smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Br)cc1C[NH2+]CC(C)(C)CCC#N ZINC000190296368 334927603 /nfs/dbraw/zinc/92/76/03/334927603.db2.gz XOWXCQHOGFSSDS-UHFFFAOYSA-N 1 0 309.251 4.177 20 30 DIEDRO C=C(C)C[N@H+](CC)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000097006613 185396543 /nfs/dbraw/zinc/39/65/43/185396543.db2.gz ZDRNKDRAVRHTEJ-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(CCC#N)CC2)n1 ZINC000563808421 335023611 /nfs/dbraw/zinc/02/36/11/335023611.db2.gz SVFJNHUEMLAZQX-OAHLLOKOSA-N 1 0 324.428 4.122 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccco1 ZINC000285692425 335024311 /nfs/dbraw/zinc/02/43/11/335024311.db2.gz OMIKNWFCNQTVOD-SFHVURJKSA-N 1 0 324.424 4.204 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccco1 ZINC000285765000 335029121 /nfs/dbraw/zinc/02/91/21/335029121.db2.gz SLJHEQXJGWKCBW-SFHVURJKSA-N 1 0 324.424 4.204 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@H](O)c1cccs1)c1ccco1 ZINC000286207995 335030636 /nfs/dbraw/zinc/03/06/36/335030636.db2.gz RXSIJZAFOMICPW-ILXRZTDVSA-N 1 0 305.443 4.450 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccco1 ZINC000287488684 335043971 /nfs/dbraw/zinc/04/39/71/335043971.db2.gz NDOLJZDSIZPATK-CYBMUJFWSA-N 1 0 308.328 4.073 20 30 DIEDRO N#Cc1ccc(C[N@H+](CCCCOc2ccccc2)C2CC2)cc1 ZINC000525866818 335050957 /nfs/dbraw/zinc/05/09/57/335050957.db2.gz OXNZZBKXLXVEEF-UHFFFAOYSA-N 1 0 320.436 4.382 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000272208449 130006653 /nfs/dbraw/zinc/00/66/53/130006653.db2.gz KHRCMHBCBLYGSD-CYBMUJFWSA-N 1 0 311.454 4.226 20 30 DIEDRO Cc1c([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cccc1[N+](=O)[O-] ZINC000272308995 130018255 /nfs/dbraw/zinc/01/82/55/130018255.db2.gz SSXIRQSCCCPRQS-CQSZACIVSA-N 1 0 321.380 4.115 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CCC2 ZINC000272322774 130020332 /nfs/dbraw/zinc/02/03/32/130020332.db2.gz WHITWUHKTVCPRH-HXUWFJFHSA-N 1 0 318.420 4.223 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1C ZINC000272963585 130077873 /nfs/dbraw/zinc/07/78/73/130077873.db2.gz RXVUDOYLRPCCFG-HNNXBMFYSA-N 1 0 306.409 4.215 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000273508585 130130844 /nfs/dbraw/zinc/13/08/44/130130844.db2.gz ZZGLWGXOWHLZKG-GKCIPKSASA-N 1 0 324.399 4.268 20 30 DIEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000275701871 130366500 /nfs/dbraw/zinc/36/65/00/130366500.db2.gz QNAGJQRJGAKXAS-MAUKXSAKSA-N 1 0 306.409 4.117 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000278290099 130678101 /nfs/dbraw/zinc/67/81/01/130678101.db2.gz RANLGTPXOPFKRR-NRFANRHFSA-N 1 0 319.452 4.399 20 30 DIEDRO COc1ncc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000284431123 131079832 /nfs/dbraw/zinc/07/98/32/131079832.db2.gz RKTRZAPUIHCTEM-NEPJUHHUSA-N 1 0 315.804 4.027 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425550167 335075266 /nfs/dbraw/zinc/07/52/66/335075266.db2.gz MMSMUPHYJYTBSG-IAGOWNOFSA-N 1 0 320.864 4.168 20 30 DIEDRO C[C@@H]1CCC[N@H+](CCCCNc2cc(C#N)c3ccccc3n2)C1 ZINC000522902718 434935445 /nfs/dbraw/zinc/93/54/45/434935445.db2.gz DPKAJZPJQDWURV-MRXNPFEDSA-N 1 0 322.456 4.030 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000570502712 332764995 /nfs/dbraw/zinc/76/49/95/332764995.db2.gz MNJZLAJTOYGRPR-WCQYABFASA-N 1 0 312.255 4.025 20 30 DIEDRO N#Cc1cccc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000570825760 332823211 /nfs/dbraw/zinc/82/32/11/332823211.db2.gz VWJZEQLLRJTMCI-QGZVFWFLSA-N 1 0 318.342 4.069 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(Cl)s1)CC2 ZINC000574946240 332858190 /nfs/dbraw/zinc/85/81/90/332858190.db2.gz YCHLBZOIJSBAAV-HNNXBMFYSA-N 1 0 302.830 4.093 20 30 DIEDRO C[C@@H]([NH2+]CCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000312430299 331484108 /nfs/dbraw/zinc/48/41/08/331484108.db2.gz AGSVQWIEIOPJHJ-SSDOTTSWSA-N 1 0 303.221 4.344 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000517746825 331503812 /nfs/dbraw/zinc/50/38/12/331503812.db2.gz CIODHACBGJDIJA-SFHVURJKSA-N 1 0 323.396 4.343 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000530664833 331616897 /nfs/dbraw/zinc/61/68/97/331616897.db2.gz RDBTXLCFBMBCLV-INIZCTEOSA-N 1 0 314.816 4.159 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000556415013 331701856 /nfs/dbraw/zinc/70/18/56/331701856.db2.gz LEHOVNIJCBGRAP-UHFFFAOYSA-N 1 0 322.861 4.146 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000530973095 331745199 /nfs/dbraw/zinc/74/51/99/331745199.db2.gz WBVBCBVJIXAVFI-ODCFSMADSA-N 1 0 306.409 4.162 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000530973096 331745241 /nfs/dbraw/zinc/74/52/41/331745241.db2.gz WBVBCBVJIXAVFI-UJKGCTCZSA-N 1 0 306.409 4.162 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(OC)cc32)cc1 ZINC000556912086 331752642 /nfs/dbraw/zinc/75/26/42/331752642.db2.gz KBIDHPXZPJWHSF-HXUWFJFHSA-N 1 0 309.409 4.037 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000564429005 331760581 /nfs/dbraw/zinc/76/05/81/331760581.db2.gz DVKXALRUZJLYKN-NRFANRHFSA-N 1 0 320.436 4.165 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)c1ccco1 ZINC000558257755 331890119 /nfs/dbraw/zinc/89/01/19/331890119.db2.gz NZWXGPUJRQVASR-YOEHRIQHSA-N 1 0 319.832 4.306 20 30 DIEDRO Cc1cccc2[nH]cc(CC[NH2+][C@H]3CCc4ccc(C#N)cc43)c21 ZINC000558503887 331914707 /nfs/dbraw/zinc/91/47/07/331914707.db2.gz GPTORZQSBZVADD-IBGZPJMESA-N 1 0 315.420 4.168 20 30 DIEDRO COc1cccc(C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449183420 331938402 /nfs/dbraw/zinc/93/84/02/331938402.db2.gz DCJCNEDGMBQRIG-UHFFFAOYSA-N 1 0 300.446 4.035 20 30 DIEDRO Cc1cccc(C2(C[NH2+]C[C@H](C#N)CCC#N)CCCCC2)c1 ZINC000558731535 331939538 /nfs/dbraw/zinc/93/95/38/331939538.db2.gz BNRNSJXYUFCRRW-SFHVURJKSA-N 1 0 309.457 4.230 20 30 DIEDRO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000520042376 332030821 /nfs/dbraw/zinc/03/08/21/332030821.db2.gz CPQNRPWQJYKBQI-GOSISDBHSA-N 1 0 312.363 4.044 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000409446905 332032480 /nfs/dbraw/zinc/03/24/80/332032480.db2.gz WMZQHSUJKUIUKX-KRWDZBQOSA-N 1 0 302.487 4.497 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000409447945 332033396 /nfs/dbraw/zinc/03/33/96/332033396.db2.gz HPOHXKDMQUOHHL-LJQANCHMSA-N 1 0 314.473 4.078 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000409447943 332033611 /nfs/dbraw/zinc/03/36/11/332033611.db2.gz DKXVKQWLFQDYDS-LJQANCHMSA-N 1 0 314.473 4.040 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000449348513 332058903 /nfs/dbraw/zinc/05/89/03/332058903.db2.gz GYQYISPGRGTPAO-MRXNPFEDSA-N 1 0 304.365 4.065 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000538193852 332089978 /nfs/dbraw/zinc/08/99/78/332089978.db2.gz GIQSRYDVLNJRDF-HUUCEWRRSA-N 1 0 301.455 4.250 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)CCC2 ZINC000090665131 332092063 /nfs/dbraw/zinc/09/20/63/332092063.db2.gz QBGWTYAIUUPGOC-DOTOQJQBSA-N 1 0 311.454 4.464 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090665023 332092145 /nfs/dbraw/zinc/09/21/45/332092145.db2.gz CQBXLJQYCVIKGU-KBXCAEBGSA-N 1 0 309.369 4.290 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000090665851 332092402 /nfs/dbraw/zinc/09/24/02/332092402.db2.gz RJHSVZHKKOICMS-WMLDXEAASA-N 1 0 308.381 4.111 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000090665849 332092573 /nfs/dbraw/zinc/09/25/73/332092573.db2.gz RJHSVZHKKOICMS-YOEHRIQHSA-N 1 0 308.381 4.111 20 30 DIEDRO N#CCCCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000091319593 332103699 /nfs/dbraw/zinc/10/36/99/332103699.db2.gz VVIQRHCOBJKPMN-OAHLLOKOSA-N 1 0 307.235 4.184 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cnc2ccccc2c1 ZINC000410332359 332112095 /nfs/dbraw/zinc/11/20/95/332112095.db2.gz JLQUGDUPKGOUSR-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)[C@H](C)c1ccc(F)cc1 ZINC000410332559 332112103 /nfs/dbraw/zinc/11/21/03/332112103.db2.gz LAAYGZHNXIWAJY-MRXNPFEDSA-N 1 0 318.436 4.309 20 30 DIEDRO CC(C)(CCC#N)C[N@H+](Cc1ccco1)Cc1ccc(O)cc1 ZINC000093015675 332133285 /nfs/dbraw/zinc/13/32/85/332133285.db2.gz YGSBRGDWVLQMGJ-UHFFFAOYSA-N 1 0 312.413 4.317 20 30 DIEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C1CC1)C1CC1 ZINC000427019855 332164558 /nfs/dbraw/zinc/16/45/58/332164558.db2.gz NWMPTECQAHVCSQ-UHFFFAOYSA-N 1 0 307.359 4.177 20 30 DIEDRO CSCC[C@@H](C)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426993571 332164810 /nfs/dbraw/zinc/16/48/10/332164810.db2.gz DAHKQLPASXXZFS-CYBMUJFWSA-N 1 0 315.404 4.130 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c(F)c1 ZINC000449434187 332185678 /nfs/dbraw/zinc/18/56/78/332185678.db2.gz PUFBIJHNSZPSIZ-WFASDCNBSA-N 1 0 314.326 4.298 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1cc(C#N)cs1 ZINC000181146394 332186455 /nfs/dbraw/zinc/18/64/55/332186455.db2.gz SDSWQDWOXMDHDQ-LLVKDONJSA-N 1 0 324.371 4.359 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)s1 ZINC000181143896 332186550 /nfs/dbraw/zinc/18/65/50/332186550.db2.gz PEZGDIPUPPKJCB-LLVKDONJSA-N 1 0 324.371 4.359 20 30 DIEDRO Cc1cccc(-c2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)c1 ZINC000181468756 332195573 /nfs/dbraw/zinc/19/55/73/332195573.db2.gz AFPKCLRKPFUYIR-UHFFFAOYSA-N 1 0 302.377 4.417 20 30 DIEDRO C[C@@H](NCc1ccno1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363710999 332226763 /nfs/dbraw/zinc/22/67/63/332226763.db2.gz IBQKPAKNNSNLNY-CQSZACIVSA-N 1 0 303.365 4.064 20 30 DIEDRO N#CCSCCC[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000152500725 332303716 /nfs/dbraw/zinc/30/37/16/332303716.db2.gz KRSRERVNGYXCDE-ROUUACIJSA-N 1 0 300.471 4.035 20 30 DIEDRO CCCOc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000560072441 332308932 /nfs/dbraw/zinc/30/89/32/332308932.db2.gz WHCGLTMNRXENJU-UHFFFAOYSA-N 1 0 306.409 4.126 20 30 DIEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000560083061 332309622 /nfs/dbraw/zinc/30/96/22/332309622.db2.gz RWJRPVSCFOUDHA-SFHVURJKSA-N 1 0 301.817 4.034 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCCc3ccc(Cl)cc3)CC2)c1 ZINC000560173382 332316835 /nfs/dbraw/zinc/31/68/35/332316835.db2.gz DQNLYYCWONIXOC-UHFFFAOYSA-N 1 0 310.828 4.423 20 30 DIEDRO Cc1c([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cnn1C(C)(C)C ZINC000560260782 332324707 /nfs/dbraw/zinc/32/47/07/332324707.db2.gz GSMNGOCWTHSMNE-CQSZACIVSA-N 1 0 322.456 4.158 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560265664 332326230 /nfs/dbraw/zinc/32/62/30/332326230.db2.gz PNGPTUUWEUCECI-OAHLLOKOSA-N 1 0 308.400 4.297 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccc(OC)c(F)c1)c1ccco1 ZINC000560530293 332352459 /nfs/dbraw/zinc/35/24/59/332352459.db2.gz XROYCKNJSVTJLI-INIZCTEOSA-N 1 0 303.377 4.267 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1cccc(OC)c1OC)c1ccco1 ZINC000560530249 332352518 /nfs/dbraw/zinc/35/25/18/332352518.db2.gz XMBYGRRZRRNKNR-MRXNPFEDSA-N 1 0 315.413 4.136 20 30 DIEDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)cc1 ZINC000560543375 332356087 /nfs/dbraw/zinc/35/60/87/332356087.db2.gz ZQJAYFQZMVFEOI-FQEVSTJZSA-N 1 0 320.436 4.022 20 30 DIEDRO CC1(C)C[N@H+](Cc2cccc(OCCCC#N)c2)[C@H]2CCC[C@@H]21 ZINC000560621677 332369831 /nfs/dbraw/zinc/36/98/31/332369831.db2.gz YFTUVMRNMSGRDA-OALUTQOASA-N 1 0 312.457 4.380 20 30 DIEDRO N#CCCCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000237699620 332385571 /nfs/dbraw/zinc/38/55/71/332385571.db2.gz ZBQISPJCZNSEHK-UHFFFAOYSA-N 1 0 311.212 4.053 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000237826171 332392766 /nfs/dbraw/zinc/39/27/66/332392766.db2.gz KBSOJJLDVJBFPS-SFHVURJKSA-N 1 0 310.397 4.129 20 30 DIEDRO C[C@@H]1CCC[C@@H](CC[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000560930416 332395031 /nfs/dbraw/zinc/39/50/31/332395031.db2.gz UPIZVTRCZLQURX-MSOLQXFVSA-N 1 0 311.473 4.155 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000237881403 332396280 /nfs/dbraw/zinc/39/62/80/332396280.db2.gz BCYANRSRIOXOKF-UHFFFAOYSA-N 1 0 314.816 4.312 20 30 DIEDRO N#CCCCC[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000153634941 332398700 /nfs/dbraw/zinc/39/87/00/332398700.db2.gz NYKBPGGVUPWRDA-UHFFFAOYSA-N 1 0 308.347 4.488 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000561278743 332432571 /nfs/dbraw/zinc/43/25/71/332432571.db2.gz SHBOPAFVEHXRKI-ILXRZTDVSA-N 1 0 301.409 4.263 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000561455664 332452322 /nfs/dbraw/zinc/45/23/22/332452322.db2.gz KGXZJNYWDYABJZ-DQLDELGASA-N 1 0 320.436 4.438 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1Cl ZINC000130432823 332537271 /nfs/dbraw/zinc/53/72/71/332537271.db2.gz KHKSKTZORIYBHE-KRWDZBQOSA-N 1 0 314.816 4.483 20 30 DIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCCC(C)(C)C#N ZINC000159152439 332602154 /nfs/dbraw/zinc/60/21/54/332602154.db2.gz QMWCVWSFHQFXEM-QGZVFWFLSA-N 1 0 323.868 4.202 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(OCC#N)cc1 ZINC000171405034 332644969 /nfs/dbraw/zinc/64/49/69/332644969.db2.gz BZCPSYYNDQJBTQ-CXAGYDPISA-N 1 0 312.438 4.379 20 30 DIEDRO COc1ccc([C@@H](C)CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000569861218 332687189 /nfs/dbraw/zinc/68/71/89/332687189.db2.gz UYILDTOMKKABOY-YCRPNKLZSA-N 1 0 320.436 4.338 20 30 DIEDRO C=C(C)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000159870186 332717608 /nfs/dbraw/zinc/71/76/08/332717608.db2.gz CRANJAKMHGZDJC-LBPRGKRZSA-N 1 0 302.443 4.354 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000570302024 332737588 /nfs/dbraw/zinc/73/75/88/332737588.db2.gz HBDAODKVUKYIDX-VLIAUNLRSA-N 1 0 308.400 4.296 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC1CC1)CC2 ZINC000580134490 332952374 /nfs/dbraw/zinc/95/23/74/332952374.db2.gz FJXRAFDEQUTEQK-FQEVSTJZSA-N 1 0 318.420 4.124 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000580193815 332997356 /nfs/dbraw/zinc/99/73/56/332997356.db2.gz VUNITVULYGHFHG-NRFANRHFSA-N 1 0 315.420 4.182 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(CC#N)cc2)C2CC2)c(F)c1 ZINC000518769019 333063428 /nfs/dbraw/zinc/06/34/28/333063428.db2.gz ASELGKHODDYBAY-HXUWFJFHSA-N 1 0 324.399 4.141 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000185175565 335119648 /nfs/dbraw/zinc/11/96/48/335119648.db2.gz IDHDOJBOYUMWCI-UHFFFAOYSA-N 1 0 315.363 4.316 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000174252197 333084135 /nfs/dbraw/zinc/08/41/35/333084135.db2.gz PQQYQGFNHPKLKU-UHFFFAOYSA-N 1 0 300.324 4.005 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000174305363 333084699 /nfs/dbraw/zinc/08/46/99/333084699.db2.gz KKMONLURRMVBQV-QZTJIDSGSA-N 1 0 300.446 4.074 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000174305353 333084739 /nfs/dbraw/zinc/08/47/39/333084739.db2.gz KKMONLURRMVBQV-ZWKOTPCHSA-N 1 0 300.446 4.074 20 30 DIEDRO CC(C)C[N@H+](CCCC(C)(C)C#N)C[C@H](O)c1ccc(F)cc1 ZINC000174867036 333092096 /nfs/dbraw/zinc/09/20/96/333092096.db2.gz KEIQLFIWYKPGPV-SFHVURJKSA-N 1 0 320.452 4.147 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000215931853 333100079 /nfs/dbraw/zinc/10/00/79/333100079.db2.gz DWXRNCMYBFTPLY-GJZGRUSLSA-N 1 0 318.486 4.072 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000215931893 333100107 /nfs/dbraw/zinc/10/01/07/333100107.db2.gz DWXRNCMYBFTPLY-HUUCEWRRSA-N 1 0 318.486 4.072 20 30 DIEDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)s1 ZINC000178165085 333135711 /nfs/dbraw/zinc/13/57/11/333135711.db2.gz VSOQCJNPDLZSNB-UHFFFAOYSA-N 1 0 314.454 4.238 20 30 DIEDRO N#CCCCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000178647993 333141947 /nfs/dbraw/zinc/14/19/47/333141947.db2.gz RMIBYOAUGQZSRF-ZDUSSCGKSA-N 1 0 313.228 4.491 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000179527589 333151931 /nfs/dbraw/zinc/15/19/31/333151931.db2.gz WRWMSAHBHANSEE-OAHLLOKOSA-N 1 0 324.424 4.205 20 30 DIEDRO N#CCCCC[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000180318148 333160698 /nfs/dbraw/zinc/16/06/98/333160698.db2.gz IJVOFBSXLHOSEN-SFHVURJKSA-N 1 0 312.388 4.229 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000180542539 333162870 /nfs/dbraw/zinc/16/28/70/333162870.db2.gz KFPFLLPEEYTQMZ-BFUOFWGJSA-N 1 0 310.372 4.066 20 30 DIEDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180556954 333163160 /nfs/dbraw/zinc/16/31/60/333163160.db2.gz RRFXPNHUARZFEM-BEFAXECRSA-N 1 0 306.409 4.236 20 30 DIEDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180555837 333163214 /nfs/dbraw/zinc/16/32/14/333163214.db2.gz BGRDLFAPXYRIJP-MGPUTAFESA-N 1 0 306.409 4.317 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000180554567 333163257 /nfs/dbraw/zinc/16/32/57/333163257.db2.gz NEYDRJOWCZCLRI-INIZCTEOSA-N 1 0 324.424 4.229 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)ccc1Cl ZINC000180887802 333165869 /nfs/dbraw/zinc/16/58/69/333165869.db2.gz XDEBLBVDHJDWGI-AWEZNQCLSA-N 1 0 314.816 4.402 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccc(-c2cccnc2)cc1 ZINC000181323704 333169020 /nfs/dbraw/zinc/16/90/20/333169020.db2.gz QJHHLBHCVHKLEF-OAHLLOKOSA-N 1 0 311.454 4.046 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181736119 333171842 /nfs/dbraw/zinc/17/18/42/333171842.db2.gz VRSPHCWNOBNHTA-INIZCTEOSA-N 1 0 322.408 4.005 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000181754610 333172177 /nfs/dbraw/zinc/17/21/77/333172177.db2.gz BAIMABUPCIGQLH-APWZRJJASA-N 1 0 323.440 4.340 20 30 DIEDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181855237 333172935 /nfs/dbraw/zinc/17/29/35/333172935.db2.gz FWTABFZXSBWDJF-LESCRADOSA-N 1 0 318.486 4.304 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccnc1 ZINC000181868073 333173125 /nfs/dbraw/zinc/17/31/25/333173125.db2.gz ADVOHOHAXVARGE-OXJNMPFZSA-N 1 0 323.440 4.074 20 30 DIEDRO CC(C)CSCCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000182009783 333174551 /nfs/dbraw/zinc/17/45/51/333174551.db2.gz RARZCFMPZCVQSH-OAHLLOKOSA-N 1 0 306.475 4.019 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000182052208 333175033 /nfs/dbraw/zinc/17/50/33/333175033.db2.gz VXMSKRAUMIXCBR-UZLBHIALSA-N 1 0 319.408 4.285 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(C#N)cc3)c[nH]c2c1 ZINC000525879498 335122757 /nfs/dbraw/zinc/12/27/57/335122757.db2.gz VPLTUSARGYFVDN-OAHLLOKOSA-N 1 0 303.409 4.241 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000185847390 333215121 /nfs/dbraw/zinc/21/51/21/333215121.db2.gz UQBHVMJQVSRBMS-IUODEOHRSA-N 1 0 301.821 4.036 20 30 DIEDRO COc1ccsc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000186226449 333217728 /nfs/dbraw/zinc/21/77/28/333217728.db2.gz WYRCRZLWFKGUFL-DZGCQCFKSA-N 1 0 300.427 4.452 20 30 DIEDRO CC[N@H+](CCOc1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497590815 333266563 /nfs/dbraw/zinc/26/65/63/333266563.db2.gz OFNZIEXSFKGWMU-INIZCTEOSA-N 1 0 324.424 4.029 20 30 DIEDRO CC[N@H+](CCOc1ccccc1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000497597004 333267201 /nfs/dbraw/zinc/26/72/01/333267201.db2.gz RASRVTCAKATXDN-HNNXBMFYSA-N 1 0 312.388 4.159 20 30 DIEDRO CN(C)c1ccc(C2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000364334780 333290121 /nfs/dbraw/zinc/29/01/21/333290121.db2.gz GTGFSYAHVNGQMG-UHFFFAOYSA-N 1 0 313.489 4.262 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000525779394 333301402 /nfs/dbraw/zinc/30/14/02/333301402.db2.gz GHDBTKGHVAPQCL-GOSISDBHSA-N 1 0 308.450 4.172 20 30 DIEDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000193425287 333303155 /nfs/dbraw/zinc/30/31/55/333303155.db2.gz ZATZZAZVDZPZHQ-OXJNMPFZSA-N 1 0 324.424 4.017 20 30 DIEDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000194921443 333317705 /nfs/dbraw/zinc/31/77/05/333317705.db2.gz QQEFQEAMDYOSHG-AWEZNQCLSA-N 1 0 312.438 4.162 20 30 DIEDRO C=C[C@](C)(CC)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000188523427 333370643 /nfs/dbraw/zinc/37/06/43/333370643.db2.gz YNNBKZPADOTYFB-FXAWDEMLSA-N 1 0 320.521 4.092 20 30 DIEDRO N#CCCC1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000563159168 333404684 /nfs/dbraw/zinc/40/46/84/333404684.db2.gz YGQYDVPUTAUNRH-UHFFFAOYSA-N 1 0 323.415 4.403 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccco1 ZINC000295845891 335140166 /nfs/dbraw/zinc/14/01/66/335140166.db2.gz AUFVQLKUODGJMT-AWEZNQCLSA-N 1 0 306.793 4.134 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000337252629 333444214 /nfs/dbraw/zinc/44/42/14/333444214.db2.gz LFZRPQWJDCQHSU-INIZCTEOSA-N 1 0 322.399 4.284 20 30 DIEDRO CCOc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000338954840 333503178 /nfs/dbraw/zinc/50/31/78/333503178.db2.gz YXLICBZXSPDQPY-UHFFFAOYSA-N 1 0 324.424 4.058 20 30 DIEDRO CC(C)CC[C@@H]([NH2+]CCOCCC#N)c1ccc(Cl)cc1 ZINC000339069269 333507903 /nfs/dbraw/zinc/50/79/03/333507903.db2.gz SLFRDDDUILVYGD-QGZVFWFLSA-N 1 0 308.853 4.337 20 30 DIEDRO C=C[C@H](CC(=O)Nc1cc(C)cc(C[NH+](C)C)c1)c1ccccc1 ZINC000533967294 333552210 /nfs/dbraw/zinc/55/22/10/333552210.db2.gz LNFUVNPYBJCABL-GOSISDBHSA-N 1 0 322.452 4.355 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000534286480 333571633 /nfs/dbraw/zinc/57/16/33/333571633.db2.gz MWVLAKBXTPLCAI-UHFFFAOYSA-N 1 0 320.436 4.415 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000563353318 333594975 /nfs/dbraw/zinc/59/49/75/333594975.db2.gz NQWIUXKCZZQTMT-UUWFMWQGSA-N 1 0 311.816 4.094 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCc2c1cccc2O ZINC000571137907 333668014 /nfs/dbraw/zinc/66/80/14/333668014.db2.gz JKMFDLPQPDJRKW-UXHICEINSA-N 1 0 318.420 4.308 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1csc(C(=O)OC)c1)c1ccccc1 ZINC000411468662 333677800 /nfs/dbraw/zinc/67/78/00/333677800.db2.gz CMEDIPUDZKOQLV-INIZCTEOSA-N 1 0 315.438 4.332 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000411485794 333680042 /nfs/dbraw/zinc/68/00/42/333680042.db2.gz RLWVPAOKQYALER-SWLSCSKDSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCCO)c1ccc(C(F)(F)F)cc1 ZINC000411488465 333680496 /nfs/dbraw/zinc/68/04/96/333680496.db2.gz YTJNIBLIASXCPY-HNNXBMFYSA-N 1 0 301.352 4.075 20 30 DIEDRO C=C(CC)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451298656 333810940 /nfs/dbraw/zinc/81/09/40/333810940.db2.gz XCUWINZWGJCORH-UHFFFAOYSA-N 1 0 304.381 4.308 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414111448 333904911 /nfs/dbraw/zinc/90/49/11/333904911.db2.gz XEUBBBGFCBQSQH-AWEZNQCLSA-N 1 0 302.443 4.053 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1OCC ZINC000414164952 333916116 /nfs/dbraw/zinc/91/61/16/333916116.db2.gz KZXAFPWZUCOIFR-AWEZNQCLSA-N 1 0 304.434 4.074 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(Br)s1 ZINC000414166648 333916334 /nfs/dbraw/zinc/91/63/34/333916334.db2.gz OCAXLCZYRCVMGQ-VIFPVBQESA-N 1 0 301.253 4.101 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nccs1 ZINC000414214559 333922829 /nfs/dbraw/zinc/92/28/29/333922829.db2.gz VOJJJJIMNNISNQ-NXVRBGIVSA-N 1 0 311.454 4.198 20 30 DIEDRO CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000414234065 333927596 /nfs/dbraw/zinc/92/75/96/333927596.db2.gz SGHKURTXWHVIRU-LJQANCHMSA-N 1 0 305.425 4.028 20 30 DIEDRO CCCOc1c(Cl)cc(C[NH2+]CCCCC#N)cc1OCC ZINC000264043247 333950528 /nfs/dbraw/zinc/95/05/28/333950528.db2.gz JLVSLCNSRMDYGR-UHFFFAOYSA-N 1 0 324.852 4.311 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(OCC#N)cc1 ZINC000267002431 333978022 /nfs/dbraw/zinc/97/80/22/333978022.db2.gz CZMXBXYNERHZGH-ORAYPTAESA-N 1 0 310.372 4.066 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](CC)c2ccccc2)cc(OC)c1O ZINC000414491210 333995857 /nfs/dbraw/zinc/99/58/57/333995857.db2.gz CLERDWHPXXXGTR-SFHVURJKSA-N 1 0 311.425 4.370 20 30 DIEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000414525880 334007153 /nfs/dbraw/zinc/00/71/53/334007153.db2.gz NHLIALRCPRVYIO-INIZCTEOSA-N 1 0 322.456 4.084 20 30 DIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000270088291 334007332 /nfs/dbraw/zinc/00/73/32/334007332.db2.gz AGXQONQZHLEZCJ-KRWDZBQOSA-N 1 0 324.472 4.139 20 30 DIEDRO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(OCC#N)cc2)c1 ZINC000270317251 334011105 /nfs/dbraw/zinc/01/11/05/334011105.db2.gz JUUNYHVFOLIATG-UHFFFAOYSA-N 1 0 324.424 4.008 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ncc(CSC)s1 ZINC000414536892 334012555 /nfs/dbraw/zinc/01/25/55/334012555.db2.gz OCJHQUQYKLQPJA-OAHLLOKOSA-N 1 0 318.511 4.283 20 30 DIEDRO CC[N@H+](Cc1occc1C)Cc1cccc(OCCCC#N)c1 ZINC000414553091 334016178 /nfs/dbraw/zinc/01/61/78/334016178.db2.gz SITKVQMUVUKYJO-UHFFFAOYSA-N 1 0 312.413 4.293 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(O)c1 ZINC000271079190 334018063 /nfs/dbraw/zinc/01/80/63/334018063.db2.gz QCWBWKZAWXOKDO-YQHFOJDRSA-N 1 0 320.436 4.447 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000271517192 334024047 /nfs/dbraw/zinc/02/40/47/334024047.db2.gz UHHRIDYTIJMYGG-PMACEKPBSA-N 1 0 306.409 4.015 20 30 DIEDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000271517152 334024208 /nfs/dbraw/zinc/02/42/08/334024208.db2.gz UFMYWQVEBJYVLU-GJZGRUSLSA-N 1 0 312.388 4.448 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(C#N)cc1 ZINC000271654956 334025268 /nfs/dbraw/zinc/02/52/68/334025268.db2.gz JXOKAQRGULLYFP-OAHLLOKOSA-N 1 0 303.409 4.210 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000271699506 334025646 /nfs/dbraw/zinc/02/56/46/334025646.db2.gz HELDHFVDTMRFIO-AWEZNQCLSA-N 1 0 323.396 4.247 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000271993220 334029400 /nfs/dbraw/zinc/02/94/00/334029400.db2.gz FMXUSPIZQPMTGI-HZPDHXFCSA-N 1 0 320.502 4.356 20 30 DIEDRO N#CCCC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000272625462 334038382 /nfs/dbraw/zinc/03/83/82/334038382.db2.gz ZBVBLADQJOSXEL-KRWDZBQOSA-N 1 0 316.351 4.271 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273434375 334047045 /nfs/dbraw/zinc/04/70/45/334047045.db2.gz MAIYRNSYTWYZHZ-QZTJIDSGSA-N 1 0 318.436 4.308 20 30 DIEDRO Cc1cnc([C@@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)s1 ZINC000273538838 334048304 /nfs/dbraw/zinc/04/83/04/334048304.db2.gz WTNRJKRQZOGPGA-LBPRGKRZSA-N 1 0 316.474 4.105 20 30 DIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000274574459 334063511 /nfs/dbraw/zinc/06/35/11/334063511.db2.gz BKYYMUHSFQLQCP-ZMSDIMECSA-N 1 0 316.445 4.217 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1nc(-c2ccccc2)c[nH]1 ZINC000277778269 334090778 /nfs/dbraw/zinc/09/07/78/334090778.db2.gz ROCIFBBVFMCGGL-UHFFFAOYSA-N 1 0 310.445 4.229 20 30 DIEDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCCC(C)(C)C#N ZINC000277830731 334091384 /nfs/dbraw/zinc/09/13/84/334091384.db2.gz WCOWTVFPGHZRDC-IVZQSRNASA-N 1 0 320.502 4.137 20 30 DIEDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCCC(C)(C)C#N ZINC000277830737 334091398 /nfs/dbraw/zinc/09/13/98/334091398.db2.gz WCOWTVFPGHZRDC-QRQCRPRQSA-N 1 0 320.502 4.137 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000277881975 334091701 /nfs/dbraw/zinc/09/17/01/334091701.db2.gz ZFZIEGAQHZYYAG-JKSUJKDBSA-N 1 0 320.502 4.356 20 30 DIEDRO CC[N@H+](CCCCC(C)(C)C#N)Cc1ccc(OC)c(OC)c1 ZINC000278109286 334092913 /nfs/dbraw/zinc/09/29/13/334092913.db2.gz KWKJPTXCXALJSX-UHFFFAOYSA-N 1 0 318.461 4.246 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1F ZINC000278360726 334095364 /nfs/dbraw/zinc/09/53/64/334095364.db2.gz IVOYLVRQHAPLRB-GOSISDBHSA-N 1 0 312.388 4.359 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000278599034 334098546 /nfs/dbraw/zinc/09/85/46/334098546.db2.gz DVWCFCYXADROLP-SJORKVTESA-N 1 0 320.864 4.480 20 30 DIEDRO CC(C)COC[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccco1 ZINC000278665853 334099399 /nfs/dbraw/zinc/09/93/99/334099399.db2.gz HZZSIMQKQCAOCT-INIZCTEOSA-N 1 0 306.450 4.303 20 30 DIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCC(C)(C)C#N ZINC000278812776 334101745 /nfs/dbraw/zinc/10/17/45/334101745.db2.gz BQYDBIUBWGFYER-MRXNPFEDSA-N 1 0 308.853 4.289 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)C1 ZINC000278828798 334101960 /nfs/dbraw/zinc/10/19/60/334101960.db2.gz TUCWNSSVYBHVNM-DGCLKSJQSA-N 1 0 319.861 4.164 20 30 DIEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000279651588 334110763 /nfs/dbraw/zinc/11/07/63/334110763.db2.gz BYFZWZTZYSIPSC-AHRSYUTCSA-N 1 0 308.425 4.397 20 30 DIEDRO CC(C)[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000574982701 334114001 /nfs/dbraw/zinc/11/40/01/334114001.db2.gz HXMKLXMHKJRIJV-BBRMVZONSA-N 1 0 323.362 4.436 20 30 DIEDRO CCc1ccc(C(C)(C)[NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000281142059 334123366 /nfs/dbraw/zinc/12/33/66/334123366.db2.gz ASMKGXYBQBEMJK-UHFFFAOYSA-N 1 0 314.473 4.174 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281151071 334123551 /nfs/dbraw/zinc/12/35/51/334123551.db2.gz BGURKGLWPWDHQW-HNNXBMFYSA-N 1 0 320.864 4.433 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000281859463 334129114 /nfs/dbraw/zinc/12/91/14/334129114.db2.gz ZWOPMIZIVVIQHD-UHFFFAOYSA-N 1 0 305.425 4.168 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@@H](c2ccco2)C1 ZINC000281901005 334129467 /nfs/dbraw/zinc/12/94/67/334129467.db2.gz FPMTYISMJPACRY-IAGOWNOFSA-N 1 0 316.445 4.153 20 30 DIEDRO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@H](c2ccco2)C1 ZINC000281901007 334129501 /nfs/dbraw/zinc/12/95/01/334129501.db2.gz FPMTYISMJPACRY-IRXDYDNUSA-N 1 0 316.445 4.153 20 30 DIEDRO Cc1cc(C)cc([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)c1 ZINC000281996633 334130349 /nfs/dbraw/zinc/13/03/49/334130349.db2.gz NEUJUEPQEZFNHH-KRWDZBQOSA-N 1 0 300.446 4.055 20 30 DIEDRO CC(C)(C)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000282009784 334130444 /nfs/dbraw/zinc/13/04/44/334130444.db2.gz OGQOSUUZMJZTGC-SFHVURJKSA-N 1 0 314.473 4.464 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1Cl ZINC000282023820 334130515 /nfs/dbraw/zinc/13/05/15/334130515.db2.gz PJYSKCSKBRQODD-CYBMUJFWSA-N 1 0 324.827 4.230 20 30 DIEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)Cc1cccc(F)c1 ZINC000282043557 334130807 /nfs/dbraw/zinc/13/08/07/334130807.db2.gz RCLFOSGSOILQRW-UHFFFAOYSA-N 1 0 318.436 4.137 20 30 DIEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1F ZINC000282070473 334130959 /nfs/dbraw/zinc/13/09/59/334130959.db2.gz SVGMRGBQHSWIEG-UHFFFAOYSA-N 1 0 318.436 4.137 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000282098901 334131328 /nfs/dbraw/zinc/13/13/28/334131328.db2.gz VUOVLFKRISJIOY-CQSZACIVSA-N 1 0 306.837 4.091 20 30 DIEDRO Cc1cccc(C2=CC[N@H+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000282136166 334131812 /nfs/dbraw/zinc/13/18/12/334131812.db2.gz ZDLKMKXNEJZPLW-UHFFFAOYSA-N 1 0 324.468 4.185 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282307810 334133566 /nfs/dbraw/zinc/13/35/66/334133566.db2.gz MVNJYBJFNCIABK-NUWOQIAWSA-N 1 0 300.446 4.107 20 30 DIEDRO CCCCCCC[C@@H]([NH2+]Cc1cnnn1C)c1ccccc1 ZINC000287242640 334156972 /nfs/dbraw/zinc/15/69/72/334156972.db2.gz HJJDMZCQSABKLI-GOSISDBHSA-N 1 0 300.450 4.007 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000288805961 334162077 /nfs/dbraw/zinc/16/20/77/334162077.db2.gz LBJMLGIXVXZFGZ-VQTJNVASSA-N 1 0 322.452 4.381 20 30 DIEDRO COC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(Cl)c1 ZINC000288773495 334162104 /nfs/dbraw/zinc/16/21/04/334162104.db2.gz JTXLRZUIYXDQKI-MRXNPFEDSA-N 1 0 308.853 4.337 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289357036 334164565 /nfs/dbraw/zinc/16/45/65/334164565.db2.gz NQVNGBABXRHACF-GOSISDBHSA-N 1 0 319.452 4.262 20 30 DIEDRO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)[C@H](C)c1cccnc1 ZINC000290392325 334172548 /nfs/dbraw/zinc/17/25/48/334172548.db2.gz IYESRKBJYRCYIV-QGZVFWFLSA-N 1 0 322.456 4.015 20 30 DIEDRO C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC(C)(C#N)CC1 ZINC000290954645 334175400 /nfs/dbraw/zinc/17/54/00/334175400.db2.gz VMVQAIZZRYVKJW-SDNWHVSQSA-N 1 0 320.383 4.317 20 30 DIEDRO N#CCC[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000291336509 334177812 /nfs/dbraw/zinc/17/78/12/334177812.db2.gz WBRKDRXJNACUMC-PMACEKPBSA-N 1 0 306.409 4.404 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)C1 ZINC000293522811 334198677 /nfs/dbraw/zinc/19/86/77/334198677.db2.gz IUIJMYPDEUZQFE-CJNGLKHVSA-N 1 0 311.404 4.179 20 30 DIEDRO COc1cccc(C[C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000340444159 334203047 /nfs/dbraw/zinc/20/30/47/334203047.db2.gz CFGPHKFQUBBPST-LPHOPBHVSA-N 1 0 323.440 4.046 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(CO)c1 ZINC000340445163 334203771 /nfs/dbraw/zinc/20/37/71/334203771.db2.gz LGSCEOTXCHREMV-UZLBHIALSA-N 1 0 308.425 4.265 20 30 DIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(CO)c1 ZINC000340445160 334203774 /nfs/dbraw/zinc/20/37/74/334203774.db2.gz LGSCEOTXCHREMV-OXJNMPFZSA-N 1 0 308.425 4.265 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1(C)C ZINC000340448559 334203984 /nfs/dbraw/zinc/20/39/84/334203984.db2.gz UBDLCJQSJPNVOX-FGTMMUONSA-N 1 0 300.446 4.215 20 30 DIEDRO C[C@@H]([NH2+]CCOCCC#N)c1ccc(Cl)c2ccccc21 ZINC000294582852 334211026 /nfs/dbraw/zinc/21/10/26/334211026.db2.gz MSMXTLQDDTZTHM-CYBMUJFWSA-N 1 0 302.805 4.074 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294963013 334215066 /nfs/dbraw/zinc/21/50/66/334215066.db2.gz FBMGJSJAEJUOEV-NOLJZWGESA-N 1 0 310.363 4.308 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CC3 ZINC000295000033 334215431 /nfs/dbraw/zinc/21/54/31/334215431.db2.gz IHNMDLJDHIDPNC-JYJNAYRXSA-N 1 0 307.441 4.006 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295104725 334218637 /nfs/dbraw/zinc/21/86/37/334218637.db2.gz UALUIXOXTUUGPR-IPYPFGDCSA-N 1 0 310.363 4.308 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296307570 334231669 /nfs/dbraw/zinc/23/16/69/334231669.db2.gz NVXLCRKXGRTCHQ-MRXNPFEDSA-N 1 0 308.853 4.025 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000296393374 334233607 /nfs/dbraw/zinc/23/36/07/334233607.db2.gz KDZTUWMXAFZSMM-HZUKXOBISA-N 1 0 319.246 4.108 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(OC(F)F)cc1 ZINC000296444752 334234075 /nfs/dbraw/zinc/23/40/75/334234075.db2.gz MNJBQSBVPRLVTL-DUVNUKRYSA-N 1 0 308.372 4.411 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1OCC ZINC000296469979 334234279 /nfs/dbraw/zinc/23/42/79/334234279.db2.gz NTERAJSLZRZZKB-ZOBUZTSGSA-N 1 0 316.445 4.217 20 30 DIEDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000296484084 334234406 /nfs/dbraw/zinc/23/44/06/334234406.db2.gz OJTSYCHHHMQJDA-RDBSUJKOSA-N 1 0 308.372 4.329 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCCS2 ZINC000296504380 334234636 /nfs/dbraw/zinc/23/46/36/334234636.db2.gz PESLASBYUDAAAR-GRDNDAEWSA-N 1 0 316.470 4.294 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(-c2ccncc2)c1 ZINC000296530800 334234817 /nfs/dbraw/zinc/23/48/17/334234817.db2.gz QJLJYFOGFWNVLD-GUXCAODWSA-N 1 0 305.425 4.482 20 30 DIEDRO CCC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000296608662 334235474 /nfs/dbraw/zinc/23/54/74/334235474.db2.gz WDMZHMKWZGMNHE-JLJPHGGASA-N 1 0 301.390 4.108 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccnc1 ZINC000299283250 334254443 /nfs/dbraw/zinc/25/44/43/334254443.db2.gz DIMHKCZETSTURA-DZIBYMRMSA-N 1 0 305.425 4.136 20 30 DIEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000299364643 334254949 /nfs/dbraw/zinc/25/49/49/334254949.db2.gz WULGXEAFDABYLX-OAQYLSRUSA-N 1 0 319.452 4.122 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000187664199 334268714 /nfs/dbraw/zinc/26/87/14/334268714.db2.gz AXDJSIXDMMQYLU-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000531951288 334308986 /nfs/dbraw/zinc/30/89/86/334308986.db2.gz VDVSRQAOBWRHTR-CABCVRRESA-N 1 0 323.396 4.138 20 30 DIEDRO CC1(C)CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000443016952 338442260 /nfs/dbraw/zinc/44/22/60/338442260.db2.gz YBAAAEPHSOWMQZ-KRWDZBQOSA-N 1 0 300.446 4.428 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303961998 334350472 /nfs/dbraw/zinc/35/04/72/334350472.db2.gz ZYWAUSYCEPUNDD-MOPGFXCFSA-N 1 0 312.457 4.118 20 30 DIEDRO COc1cccc(C[C@H]2CCC[N@@H+]2CC(C)(C)CCC#N)c1 ZINC000535080330 334365609 /nfs/dbraw/zinc/36/56/09/334365609.db2.gz SNXZOEVFTJNRDF-QGZVFWFLSA-N 1 0 300.446 4.032 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C[C@@H]2CCCOC2)C(C)(C)C)cc1 ZINC000532021978 334376592 /nfs/dbraw/zinc/37/65/92/334376592.db2.gz HNUBKNOYTGBVFC-SFHVURJKSA-N 1 0 317.473 4.279 20 30 DIEDRO C=C(C[NH2+]Cc1c(C2CC2)nc2sccn12)c1ccccc1 ZINC000341181766 334416396 /nfs/dbraw/zinc/41/63/96/334416396.db2.gz JDTLNTOOYNBLMQ-UHFFFAOYSA-N 1 0 309.438 4.076 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(c3ccc(C)nc3)CC2)cc1 ZINC000341565246 334453011 /nfs/dbraw/zinc/45/30/11/334453011.db2.gz ONKAZZZWMXJKCC-UHFFFAOYSA-N 1 0 322.452 4.334 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CCCCC#N)ccc1OC1CCCC1 ZINC000341614092 334461963 /nfs/dbraw/zinc/46/19/63/334461963.db2.gz AUDIEJRCKKJSRH-HNNXBMFYSA-N 1 0 316.445 4.361 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341682974 334469902 /nfs/dbraw/zinc/46/99/02/334469902.db2.gz KLXBRULJBXSZSJ-DJJJIMSYSA-N 1 0 324.399 4.434 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2F ZINC000341700041 334471476 /nfs/dbraw/zinc/47/14/76/334471476.db2.gz SPDPOJVNKRXVLY-WOJBJXKFSA-N 1 0 306.384 4.352 20 30 DIEDRO CCOc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341758416 334477649 /nfs/dbraw/zinc/47/76/49/334477649.db2.gz PILRTAJFGXASQS-FQEVSTJZSA-N 1 0 306.409 4.124 20 30 DIEDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341759528 334478091 /nfs/dbraw/zinc/47/80/91/334478091.db2.gz GPDCXKGWOCOJSO-XOBRGWDASA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCCC[C@H]1CC)c1ccccc1 ZINC000341937058 334494287 /nfs/dbraw/zinc/49/42/87/334494287.db2.gz BIPVRPUTYMHDJB-RTBURBONSA-N 1 0 314.473 4.075 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000342311181 334527843 /nfs/dbraw/zinc/52/78/43/334527843.db2.gz VBSACRNSYOFUEL-UHFFFAOYSA-N 1 0 301.821 4.308 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)ccc1C#N ZINC000441353333 334703367 /nfs/dbraw/zinc/70/33/67/334703367.db2.gz MJXLQGATOVFAFZ-DOTOQJQBSA-N 1 0 324.399 4.132 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)ccc1C#N ZINC000441353337 334703419 /nfs/dbraw/zinc/70/34/19/334703419.db2.gz MJXLQGATOVFAFZ-WBVHZDCISA-N 1 0 324.399 4.132 20 30 DIEDRO CCC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417375919 334765192 /nfs/dbraw/zinc/76/51/92/334765192.db2.gz ZYMVILMFNCQNSO-PMACEKPBSA-N 1 0 305.425 4.462 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)ccc1C#N ZINC000443981478 338465275 /nfs/dbraw/zinc/46/52/75/338465275.db2.gz AUPUENDIMMBGKV-HZPDHXFCSA-N 1 0 310.363 4.325 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(-c3ccccn3)c2)ccc1C#N ZINC000443993960 338466007 /nfs/dbraw/zinc/46/60/07/338466007.db2.gz NQAMVNMBTBXGOB-UHFFFAOYSA-N 1 0 313.404 4.219 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000443998947 338466376 /nfs/dbraw/zinc/46/63/76/338466376.db2.gz AXZKSICWPXXARW-PMACEKPBSA-N 1 0 324.399 4.016 20 30 DIEDRO Cc1cc(CNc2cccc(CC[NH+]3CCCC3)c2)ccc1C#N ZINC000444001734 338466566 /nfs/dbraw/zinc/46/65/66/338466566.db2.gz CXRWUUJJZORLRN-UHFFFAOYSA-N 1 0 319.452 4.117 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417393393 334820680 /nfs/dbraw/zinc/82/06/80/334820680.db2.gz UGPYJAKWCLVZSU-YJYMSZOUSA-N 1 0 321.380 4.195 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1Cl ZINC000189575575 334899576 /nfs/dbraw/zinc/89/95/76/334899576.db2.gz DDQJDEPIVMLZAI-JTQLQIEISA-N 1 0 308.212 4.054 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1F ZINC000343757185 335191017 /nfs/dbraw/zinc/19/10/17/335191017.db2.gz NKYZNKNEKJCDRE-SFHVURJKSA-N 1 0 300.352 4.272 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1F ZINC000343757183 335191028 /nfs/dbraw/zinc/19/10/28/335191028.db2.gz NKYZNKNEKJCDRE-GOSISDBHSA-N 1 0 300.352 4.272 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000344014081 335212831 /nfs/dbraw/zinc/21/28/31/335212831.db2.gz KJLKSHDKPBDJQX-UGSOOPFHSA-N 1 0 310.372 4.262 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)CN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000344047982 335212988 /nfs/dbraw/zinc/21/29/88/335212988.db2.gz KORQHONGRRLJKZ-UTKZUKDTSA-N 1 0 321.468 4.119 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C[C@@H]1OC ZINC000344328680 335241153 /nfs/dbraw/zinc/24/11/53/335241153.db2.gz LZXBNGCCOKFSJO-KURKYZTESA-N 1 0 300.446 4.215 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)s1 ZINC000345708236 335349181 /nfs/dbraw/zinc/34/91/81/335349181.db2.gz OQPMTCSCRBTBHN-HNNXBMFYSA-N 1 0 318.829 4.277 20 30 DIEDRO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cc2cccnc12 ZINC000346117048 335376036 /nfs/dbraw/zinc/37/60/36/335376036.db2.gz APISHHOTROHCCF-UHFFFAOYSA-N 1 0 301.393 4.047 20 30 DIEDRO C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000346147057 335381611 /nfs/dbraw/zinc/38/16/11/335381611.db2.gz WLDQDZUKXIIYGB-CQSZACIVSA-N 1 0 316.420 4.087 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000444670462 338480892 /nfs/dbraw/zinc/48/08/92/338480892.db2.gz IPQWZYRZYGAHCG-RLFYNMQTSA-N 1 0 300.446 4.249 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1c(C)noc1C ZINC000346195398 335388966 /nfs/dbraw/zinc/38/89/66/335388966.db2.gz OGDLLJHMPSLXHY-QFYYESIMSA-N 1 0 301.365 4.104 20 30 DIEDRO N#CCCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000346812994 335443132 /nfs/dbraw/zinc/44/31/32/335443132.db2.gz YAFHSMWEURXASU-CQSZACIVSA-N 1 0 315.417 4.220 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1F ZINC000346873498 335446763 /nfs/dbraw/zinc/44/67/63/335446763.db2.gz OFNALNRVNGXEIH-RNODOKPDSA-N 1 0 319.383 4.297 20 30 DIEDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC(C)(C)CCC#N)CCCO2 ZINC000348198082 335564892 /nfs/dbraw/zinc/56/48/92/335564892.db2.gz NRVSNWPEXZFBNH-KRWDZBQOSA-N 1 0 300.446 4.437 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)CCC#N)CCS2 ZINC000348248556 335567567 /nfs/dbraw/zinc/56/75/67/335567567.db2.gz XDDBYUPLQZLXBY-HNNXBMFYSA-N 1 0 304.459 4.152 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000367095820 335675123 /nfs/dbraw/zinc/67/51/23/335675123.db2.gz ZUSHOCAWMLTEDV-BHIYHBOVSA-N 1 0 320.436 4.494 20 30 DIEDRO CC[C@@H](C)[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000028963552 335716812 /nfs/dbraw/zinc/71/68/12/335716812.db2.gz FTASNFZIFIKHPZ-MRXNPFEDSA-N 1 0 303.409 4.231 20 30 DIEDRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC1(CC#N)CC1 ZINC000430755161 335722152 /nfs/dbraw/zinc/72/21/52/335722152.db2.gz PMPDOYQYTNQYFY-OAHLLOKOSA-N 1 0 304.821 4.146 20 30 DIEDRO C=C[C@@](C)(CC)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000583589587 335752397 /nfs/dbraw/zinc/75/23/97/335752397.db2.gz AKHSKIKTQOQFFC-IBGZPJMESA-N 1 0 311.429 4.186 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCCCC2)c1 ZINC000535842804 335793481 /nfs/dbraw/zinc/79/34/81/335793481.db2.gz WHLGNYFGYAWGCL-UHFFFAOYSA-N 1 0 306.409 4.123 20 30 DIEDRO C=CC[NH+](CC=C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000114723672 335818027 /nfs/dbraw/zinc/81/80/27/335818027.db2.gz DUUSNKAFUUSBSH-UHFFFAOYSA-N 1 0 320.436 4.356 20 30 DIEDRO Cc1cccc(C[C@H]([NH2+]Cc2ccc(CC#N)cc2)C2CC2)c1 ZINC000519565586 335875821 /nfs/dbraw/zinc/87/58/21/335875821.db2.gz DVLXPUAXWWWYDU-NRFANRHFSA-N 1 0 304.437 4.172 20 30 DIEDRO CC[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)Oc1ccccc1F ZINC000519861240 335902235 /nfs/dbraw/zinc/90/22/35/335902235.db2.gz WMEPKZPVLQONRA-VQIMIIECSA-N 1 0 324.399 4.132 20 30 DIEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000520216010 335937509 /nfs/dbraw/zinc/93/75/09/335937509.db2.gz NKHOZMFRQIAAGG-OAQYLSRUSA-N 1 0 320.436 4.455 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1ccc(F)c2ccccc21 ZINC000520650121 335997362 /nfs/dbraw/zinc/99/73/62/335997362.db2.gz KSOYNUOWGDKLTG-ZDUSSCGKSA-N 1 0 302.418 4.276 20 30 DIEDRO C[C@@H](CCC#N)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000351494375 336038398 /nfs/dbraw/zinc/03/83/98/336038398.db2.gz RBPSUDCVGFDZPR-ZDUSSCGKSA-N 1 0 321.262 4.105 20 30 DIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000329714711 336067051 /nfs/dbraw/zinc/06/70/51/336067051.db2.gz TZBWVSUWJQBQMI-FQEVSTJZSA-N 1 0 323.440 4.359 20 30 DIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000329714712 336067082 /nfs/dbraw/zinc/06/70/82/336067082.db2.gz TZBWVSUWJQBQMI-HXUWFJFHSA-N 1 0 323.440 4.359 20 30 DIEDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)C2(C#N)CCCCC2)CC1 ZINC000330096738 336113198 /nfs/dbraw/zinc/11/31/98/336113198.db2.gz XYFROKXUEVANEX-UHFFFAOYSA-N 1 0 317.477 4.095 20 30 DIEDRO CC(C)(C)[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332239686 336164355 /nfs/dbraw/zinc/16/43/55/336164355.db2.gz UFQKYRJUBGDYEH-DLBZAZTESA-N 1 0 313.445 4.283 20 30 DIEDRO CCC1CCC([N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000332622480 336176710 /nfs/dbraw/zinc/17/67/10/336176710.db2.gz CRWUXXXYALCRHS-UHFFFAOYSA-N 1 0 324.428 4.009 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695805 336179163 /nfs/dbraw/zinc/17/91/63/336179163.db2.gz VAVBJGNHYZAWJL-WBVHZDCISA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@H]1c2cccc(Br)c2CC[N@H+]1CCCCC#N ZINC000351950318 336182352 /nfs/dbraw/zinc/18/23/52/336182352.db2.gz DIMIHJWDLBDXLK-LBPRGKRZSA-N 1 0 307.235 4.062 20 30 DIEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000324413779 336213741 /nfs/dbraw/zinc/21/37/41/336213741.db2.gz WMZJLUZVYYAMAA-UTKZUKDTSA-N 1 0 321.468 4.292 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000532574361 336256742 /nfs/dbraw/zinc/25/67/42/336256742.db2.gz GMJNTXYEHZLMGI-IBGZPJMESA-N 1 0 308.425 4.264 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000532623484 336257609 /nfs/dbraw/zinc/25/76/09/336257609.db2.gz CLDDZEASUXBUHQ-IBGZPJMESA-N 1 0 305.425 4.220 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1ccc(C#N)cc1 ZINC000192754418 336260567 /nfs/dbraw/zinc/26/05/67/336260567.db2.gz KRMZDIKTZIMWEV-IIBYNOLFSA-N 1 0 313.404 4.393 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000192774769 336261344 /nfs/dbraw/zinc/26/13/44/336261344.db2.gz NCQHZQYDVSUGSF-XUJVJEKNSA-N 1 0 307.235 4.182 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CCO1 ZINC000580381722 336262939 /nfs/dbraw/zinc/26/29/39/336262939.db2.gz SJSUVQIQHVETNW-HOJAQTOUSA-N 1 0 312.457 4.119 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000532880147 336274270 /nfs/dbraw/zinc/27/42/70/336274270.db2.gz YTNSANMWEMRQTI-UHFFFAOYSA-N 1 0 306.519 4.176 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000526948072 336276050 /nfs/dbraw/zinc/27/60/50/336276050.db2.gz PJUNPTLRACPBDX-ZDUSSCGKSA-N 1 0 318.342 4.470 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1nc(C)cc(C)c1C#N)c1ccccc1 ZINC000325013694 336276727 /nfs/dbraw/zinc/27/67/27/336276727.db2.gz COKXGWIPQBEGHH-IBGZPJMESA-N 1 0 322.456 4.065 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(OCC#N)cc1 ZINC000192977415 336286341 /nfs/dbraw/zinc/28/63/41/336286341.db2.gz RZZXYWIWTHCNRK-STQMWFEESA-N 1 0 316.351 4.279 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000192977784 336286443 /nfs/dbraw/zinc/28/64/43/336286443.db2.gz UHUGGXIMRCHKSF-STQMWFEESA-N 1 0 316.351 4.279 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000192988677 336286628 /nfs/dbraw/zinc/28/66/28/336286628.db2.gz OZMUEPJEEOPHLF-MRXNPFEDSA-N 1 0 305.425 4.009 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000192988705 336286653 /nfs/dbraw/zinc/28/66/53/336286653.db2.gz USVSSVCNUYAUNQ-JLTOFOAXSA-N 1 0 306.409 4.369 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193018619 336287071 /nfs/dbraw/zinc/28/70/71/336287071.db2.gz PNRYBXZKAMXTAR-KDOFPFPSSA-N 1 0 324.449 4.477 20 30 DIEDRO CC[NH+](CC)Cc1cccc(CNc2cccc(F)c2C#N)c1 ZINC000301093458 336289629 /nfs/dbraw/zinc/28/96/29/336289629.db2.gz NMHROUJHULYBJN-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO CC[NH+](CC)Cc1cccc(CNc2ccc(C#N)cc2F)c1 ZINC000301146426 336292201 /nfs/dbraw/zinc/29/22/01/336292201.db2.gz LXCNFWSLRLUUAD-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000301320880 336300538 /nfs/dbraw/zinc/30/05/38/336300538.db2.gz SKMSMQGYRCAEMC-OAHLLOKOSA-N 1 0 323.415 4.335 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301330018 336300881 /nfs/dbraw/zinc/30/08/81/336300881.db2.gz KTMDFFUJLVXNEB-UHFFFAOYSA-N 1 0 323.362 4.029 20 30 DIEDRO CC1CC[NH+](CCCCNc2c(C#N)cnc3ccccc32)CC1 ZINC000301366863 336302793 /nfs/dbraw/zinc/30/27/93/336302793.db2.gz NYYLKBJREIRXMO-UHFFFAOYSA-N 1 0 322.456 4.030 20 30 DIEDRO Cc1cc(N2CCCC2)ccc1Nc1ccc(Cl)c(C#N)n1 ZINC000301534699 336313151 /nfs/dbraw/zinc/31/31/51/336313151.db2.gz QJZROKCXXSASOG-UHFFFAOYSA-N 1 0 312.804 4.259 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc2cc(C#N)ccc2n1 ZINC000301957069 336339875 /nfs/dbraw/zinc/33/98/75/336339875.db2.gz ACQQCFOCNSWJTF-INIZCTEOSA-N 1 0 322.456 4.173 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2ncccc2C#N)cc1 ZINC000301986684 336341605 /nfs/dbraw/zinc/34/16/05/336341605.db2.gz KKFZIOXQRQLAEE-HNNXBMFYSA-N 1 0 306.413 4.071 20 30 DIEDRO CO[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000514142314 336375166 /nfs/dbraw/zinc/37/51/66/336375166.db2.gz QKIHZJCPPZMJPX-FZKQIMNGSA-N 1 0 314.816 4.250 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cn(-c2ccccc2)nc1C ZINC000352931451 336378018 /nfs/dbraw/zinc/37/80/18/336378018.db2.gz NTBJQWOZWPXAMV-UHFFFAOYSA-N 1 0 321.424 4.004 20 30 DIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353011123 336381964 /nfs/dbraw/zinc/38/19/64/336381964.db2.gz XXMAACAZYWHMRJ-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO Cc1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000353016602 336382076 /nfs/dbraw/zinc/38/20/76/336382076.db2.gz ASFHPVIHHXAUCP-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](CC)c2nc(C)cs2)cc1 ZINC000113338042 336400870 /nfs/dbraw/zinc/40/08/70/336400870.db2.gz CDLPBTYDHYCEIC-KRWDZBQOSA-N 1 0 314.454 4.095 20 30 DIEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000353493973 336420457 /nfs/dbraw/zinc/42/04/57/336420457.db2.gz WZTGKJZVDDJJCV-CQSZACIVSA-N 1 0 300.324 4.320 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000353499215 336420712 /nfs/dbraw/zinc/42/07/12/336420712.db2.gz CFLCLRNHACZQFF-HNNXBMFYSA-N 1 0 323.440 4.088 20 30 DIEDRO Cn1cnc2cc(C[NH2+][C@@H](CCCC#N)c3ccccc3)ccc21 ZINC000353910869 336447290 /nfs/dbraw/zinc/44/72/90/336447290.db2.gz AJDADCVNGSJSQB-SFHVURJKSA-N 1 0 318.424 4.098 20 30 DIEDRO COCCCC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000355334751 336504509 /nfs/dbraw/zinc/50/45/09/336504509.db2.gz SNXLFBVUFZFNAH-SFHVURJKSA-N 1 0 314.454 4.267 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000356782048 336560882 /nfs/dbraw/zinc/56/08/82/336560882.db2.gz KHSVMHHVININDX-SJLPKXTDSA-N 1 0 323.465 4.368 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000358048824 336608583 /nfs/dbraw/zinc/60/85/83/336608583.db2.gz QRZNGIVRINKSNI-BXUZGUMPSA-N 1 0 310.235 4.217 20 30 DIEDRO CCSCC[C@@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360646342 336717210 /nfs/dbraw/zinc/71/72/10/336717210.db2.gz HUDOGEUKBUVMBI-KDOFPFPSSA-N 1 0 302.487 4.447 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 ZINC000360654976 336717634 /nfs/dbraw/zinc/71/76/34/336717634.db2.gz BCLRZMGDBGMVLD-VQTJNVASSA-N 1 0 305.425 4.462 20 30 DIEDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000360882901 336725509 /nfs/dbraw/zinc/72/55/09/336725509.db2.gz HEXMLVYGVXTFOA-JXXFODFXSA-N 1 0 312.457 4.121 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367828284 336830291 /nfs/dbraw/zinc/83/02/91/336830291.db2.gz SXUSBCNAWVTTGP-VWKPWSFCSA-N 1 0 320.436 4.443 20 30 DIEDRO C=CCCC[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000582281329 336881973 /nfs/dbraw/zinc/88/19/73/336881973.db2.gz OBQWPMZKLACCLR-UHFFFAOYSA-N 1 0 311.425 4.427 20 30 DIEDRO CC(C)c1ncc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418136764 336897109 /nfs/dbraw/zinc/89/71/09/336897109.db2.gz AUIWWHHVYVQFRA-KRWDZBQOSA-N 1 0 311.454 4.305 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(Cl)cs1 ZINC000418152117 336898159 /nfs/dbraw/zinc/89/81/59/336898159.db2.gz XWBROMNJTUWZPU-MRXNPFEDSA-N 1 0 302.830 4.440 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)c1cccc(C#N)c1 ZINC000371510154 336906569 /nfs/dbraw/zinc/90/65/69/336906569.db2.gz RWZFMANDHPVZPX-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000371580235 336908387 /nfs/dbraw/zinc/90/83/87/336908387.db2.gz CHKALFHIKXJZON-QGZVFWFLSA-N 1 0 314.477 4.295 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000371794651 336913260 /nfs/dbraw/zinc/91/32/60/336913260.db2.gz BPMQQSNQPPYLSM-OAHLLOKOSA-N 1 0 319.880 4.086 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1CNc1nc(C)cc(C)c1C#N ZINC000302809938 336928305 /nfs/dbraw/zinc/92/83/05/336928305.db2.gz UOGCUHSYEWUVFT-UHFFFAOYSA-N 1 0 322.456 4.024 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCCC[C@H]2c2ccccc2)CCOCC1 ZINC000375625578 337015000 /nfs/dbraw/zinc/01/50/00/337015000.db2.gz PDMHUKFCJLDVSO-IBGZPJMESA-N 1 0 312.457 4.314 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)cc1 ZINC000376178176 337029067 /nfs/dbraw/zinc/02/90/67/337029067.db2.gz OJYCFSKEFNKVQW-IERDGZPVSA-N 1 0 320.436 4.377 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000377698816 337058892 /nfs/dbraw/zinc/05/88/92/337058892.db2.gz PSFGZAYQIZLNGL-FQEVSTJZSA-N 1 0 321.424 4.101 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000377795887 337061253 /nfs/dbraw/zinc/06/12/53/337061253.db2.gz IJTBRELVRDYESM-YSGRDPCXSA-N 1 0 306.409 4.129 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000378146469 337067103 /nfs/dbraw/zinc/06/71/03/337067103.db2.gz GKRICNZEGWMKAY-VHDGCEQUSA-N 1 0 324.921 4.134 20 30 DIEDRO CC1CCC(OC2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000378332778 337070133 /nfs/dbraw/zinc/07/01/33/337070133.db2.gz JEARMJSUPWZJFV-UHFFFAOYSA-N 1 0 306.494 4.376 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Br)cs1 ZINC000193966607 337080843 /nfs/dbraw/zinc/08/08/43/337080843.db2.gz NHSABYKYLXJTGV-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO CC1(C)CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000582716936 337124475 /nfs/dbraw/zinc/12/44/75/337124475.db2.gz QWFWPGYFQZQNKP-UHFFFAOYSA-N 1 0 311.473 4.085 20 30 DIEDRO C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C#N)cc1F ZINC000023356111 337130560 /nfs/dbraw/zinc/13/05/60/337130560.db2.gz RPYJJPHLUZEEAQ-LLVKDONJSA-N 1 0 304.315 4.169 20 30 DIEDRO CCC(CC)CN(CCC#N)Cc1cc(-c2ccco2)on1 ZINC000173549407 337136361 /nfs/dbraw/zinc/13/63/61/337136361.db2.gz HQMOCSCDJVTZKX-UHFFFAOYSA-N 1 0 301.390 4.086 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(-c2cccnc2)cc1 ZINC000176748103 337151972 /nfs/dbraw/zinc/15/19/72/337151972.db2.gz CHTNROZJJJQZMY-CQSZACIVSA-N 1 0 303.365 4.064 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1cccc(C#N)c1 ZINC000177391331 337155738 /nfs/dbraw/zinc/15/57/38/337155738.db2.gz LCLPZTZFLBWZDC-HZPDHXFCSA-N 1 0 316.408 4.156 20 30 DIEDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179705986 337169093 /nfs/dbraw/zinc/16/90/93/337169093.db2.gz UZIFNUIRQYJOSM-FQEVSTJZSA-N 1 0 323.440 4.045 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1cccc(C#N)c1 ZINC000179958280 337172798 /nfs/dbraw/zinc/17/27/98/337172798.db2.gz IMXVNYUSNKZURG-SCLBCKFNSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(CC#N)cc2)C1 ZINC000185148051 337202310 /nfs/dbraw/zinc/20/23/10/337202310.db2.gz NFTPRZVHXZUZEV-UZLBHIALSA-N 1 0 305.425 4.000 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cn1)C1c2ccccc2-c2ccccc21 ZINC000583061184 337234317 /nfs/dbraw/zinc/23/43/17/337234317.db2.gz RGFLDBNALGTPPP-UHFFFAOYSA-N 1 0 311.388 4.155 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000185869446 337252223 /nfs/dbraw/zinc/25/22/23/337252223.db2.gz SKMUURJAOUMEGB-ZWKOTPCHSA-N 1 0 320.521 4.092 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C2(Cc3ccccc3)CC2)c1 ZINC000187492388 337266267 /nfs/dbraw/zinc/26/62/67/337266267.db2.gz QOUGFWRXKQPDEF-UHFFFAOYSA-N 1 0 320.436 4.234 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCCCn1ccnc1C)c1ccc(F)c(F)c1 ZINC000187759041 337268108 /nfs/dbraw/zinc/26/81/08/337268108.db2.gz RBYIDCBMHOBINA-GOSISDBHSA-N 1 0 319.399 4.157 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)nc1 ZINC000583211887 337273069 /nfs/dbraw/zinc/27/30/69/337273069.db2.gz GIXFMHFIJJNXIQ-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000189371844 337278948 /nfs/dbraw/zinc/27/89/48/337278948.db2.gz MUFMJMHWQGZGSC-DNVCBOLYSA-N 1 0 322.408 4.072 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000191582046 337299127 /nfs/dbraw/zinc/29/91/27/337299127.db2.gz MQUZFOIDLXASJL-CYBMUJFWSA-N 1 0 304.438 4.098 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192151310 337303352 /nfs/dbraw/zinc/30/33/52/337303352.db2.gz XNOVEBOFTHKAER-SFHVURJKSA-N 1 0 312.388 4.337 20 30 DIEDRO CCC(CC)[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccs1 ZINC000584583510 337368406 /nfs/dbraw/zinc/36/84/06/337368406.db2.gz YIDKURNJZBIFQB-HNNXBMFYSA-N 1 0 305.472 4.343 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccs1 ZINC000584583511 337368409 /nfs/dbraw/zinc/36/84/09/337368409.db2.gz YIDKURNJZBIFQB-OAHLLOKOSA-N 1 0 305.472 4.343 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c(C(F)(F)F)c1 ZINC000584583640 337368415 /nfs/dbraw/zinc/36/84/15/337368415.db2.gz MMGBQOZWTMEADB-MRXNPFEDSA-N 1 0 308.347 4.342 20 30 DIEDRO C=CCN(Cc1nc2ccccc2s1)Cc1ccc(OC)cc1 ZINC000532925280 337393087 /nfs/dbraw/zinc/39/30/87/337393087.db2.gz PGSKDMJHWFZKSO-UHFFFAOYSA-N 1 0 324.449 4.493 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000429427776 337481842 /nfs/dbraw/zinc/48/18/42/337481842.db2.gz HYFCCNUQYSKCKQ-KBPBESRZSA-N 1 0 314.816 4.330 20 30 DIEDRO Cc1cccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccccn2)c1 ZINC000249047023 337569355 /nfs/dbraw/zinc/56/93/55/337569355.db2.gz WJPWYYLSYYZRMX-POAQFYNOSA-N 1 0 305.425 4.151 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000572279045 337602886 /nfs/dbraw/zinc/60/28/86/337602886.db2.gz PISNMFSSGUBDDC-BJLQDIEVSA-N 1 0 313.485 4.458 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2nc(C)c(C)s2)cc1 ZINC000262550692 337619219 /nfs/dbraw/zinc/61/92/19/337619219.db2.gz YCUHCHIHYHBUDY-NSHDSACASA-N 1 0 316.474 4.200 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(COC)c1)c1ccccc1 ZINC000271594992 337644912 /nfs/dbraw/zinc/64/49/12/337644912.db2.gz YUJHVKGVTYGVCX-OXJNMPFZSA-N 1 0 323.436 4.257 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271805128 337645532 /nfs/dbraw/zinc/64/55/32/337645532.db2.gz PVYDVPOWBXCDAZ-HUUCEWRRSA-N 1 0 324.380 4.019 20 30 DIEDRO COc1cc(Cl)ccc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000421850208 337655053 /nfs/dbraw/zinc/65/50/53/337655053.db2.gz DCRLXCRVUGGJEU-HSBZDZAISA-N 1 0 306.837 4.329 20 30 DIEDRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(C#N)s1)CCCO2 ZINC000421867474 337656716 /nfs/dbraw/zinc/65/67/16/337656716.db2.gz CBBLAVPTQMYMAP-QGZVFWFLSA-N 1 0 312.438 4.240 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cc(F)ccc1F ZINC000421869416 337657009 /nfs/dbraw/zinc/65/70/09/337657009.db2.gz DSLYUKABAJJNLB-MRXNPFEDSA-N 1 0 306.381 4.385 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)s1 ZINC000421871800 337657390 /nfs/dbraw/zinc/65/73/90/337657390.db2.gz GEXBPOHEXCZHBZ-QGZVFWFLSA-N 1 0 307.422 4.268 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(F)c(COC)c1)c1ccco1 ZINC000276387562 337664479 /nfs/dbraw/zinc/66/44/79/337664479.db2.gz AVWQQDFIBGMZTN-QGZVFWFLSA-N 1 0 303.377 4.362 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc(C#N)c1 ZINC000423442994 337719357 /nfs/dbraw/zinc/71/93/57/337719357.db2.gz PYIMQAIMVDTPHZ-SCLBCKFNSA-N 1 0 321.424 4.093 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000424134012 337752875 /nfs/dbraw/zinc/75/28/75/337752875.db2.gz XUKXINGEJMVZGS-GLQYFDAESA-N 1 0 307.235 4.182 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(-c2nc(CC)no2)cc1 ZINC000536871733 337753036 /nfs/dbraw/zinc/75/30/36/337753036.db2.gz UVDLZARAOBVHRS-CABCVRRESA-N 1 0 313.445 4.032 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(-c2nc(CC)no2)cc1 ZINC000536871739 337753067 /nfs/dbraw/zinc/75/30/67/337753067.db2.gz UVDLZARAOBVHRS-LSDHHAIUSA-N 1 0 313.445 4.032 20 30 DIEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000527813832 337765753 /nfs/dbraw/zinc/76/57/53/337765753.db2.gz XQGOCYXKQYPBPL-VQIMIIECSA-N 1 0 324.468 4.146 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527990769 337778309 /nfs/dbraw/zinc/77/83/09/337778309.db2.gz ABDVSAAPHKKHAV-OALUTQOASA-N 1 0 308.812 4.476 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(C#N)cc1 ZINC000528043148 337785683 /nfs/dbraw/zinc/78/56/83/337785683.db2.gz LIYPYCBBDSDHDT-UYAOXDASSA-N 1 0 321.424 4.154 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000424177851 337798589 /nfs/dbraw/zinc/79/85/89/337798589.db2.gz VCXRTTYTBWBSFM-KSSFIOAISA-N 1 0 315.388 4.075 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000424290359 337813780 /nfs/dbraw/zinc/81/37/80/337813780.db2.gz BMOTXRJHCRTXNL-GLQYFDAESA-N 1 0 309.862 4.058 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccc(F)cc2)cc1 ZINC000424328722 337821636 /nfs/dbraw/zinc/82/16/36/337821636.db2.gz OGACHRFKYOGMAS-BOUXLOLZSA-N 1 0 324.399 4.206 20 30 DIEDRO COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[C@H](C#N)C2)cc1F ZINC000424328491 337821687 /nfs/dbraw/zinc/82/16/87/337821687.db2.gz ODOJLCIYOCFJAN-JXSMBQFASA-N 1 0 316.420 4.142 20 30 DIEDRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424332349 337822402 /nfs/dbraw/zinc/82/24/02/337822402.db2.gz SUSJCGUXCHBWQN-ZENOOKHLSA-N 1 0 304.821 4.144 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1Br ZINC000424334029 337822587 /nfs/dbraw/zinc/82/25/87/337822587.db2.gz VFVJXIGRJMQTGV-YWPYICTPSA-N 1 0 307.235 4.182 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000533309301 337840574 /nfs/dbraw/zinc/84/05/74/337840574.db2.gz DVGILCOYIDNYGC-WOJBJXKFSA-N 1 0 324.399 4.016 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCSc2ccc(F)cc2)c(F)c1 ZINC000533311559 337840695 /nfs/dbraw/zinc/84/06/95/337840695.db2.gz RPTSZPSMMBRITM-UHFFFAOYSA-N 1 0 318.392 4.108 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000118392102 337850530 /nfs/dbraw/zinc/85/05/30/337850530.db2.gz FSJJCQPLEWIYMB-HNNXBMFYSA-N 1 0 306.409 4.204 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(NC(=O)CCC)cc1)C1CC1 ZINC000120213022 337871529 /nfs/dbraw/zinc/87/15/29/337871529.db2.gz TWGUGXWIUJBEKQ-GOSISDBHSA-N 1 0 300.446 4.260 20 30 DIEDRO C=C(C)C[NH2+][C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000537053361 337884594 /nfs/dbraw/zinc/88/45/94/337884594.db2.gz MJMCUSPRZFBTKV-GOSISDBHSA-N 1 0 311.425 4.153 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121878802 337900220 /nfs/dbraw/zinc/90/02/20/337900220.db2.gz ILTTVZKLXURZHU-FQEVSTJZSA-N 1 0 318.420 4.050 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000060833344 337922789 /nfs/dbraw/zinc/92/27/89/337922789.db2.gz GMVGIHNEEUXRCC-ZDUSSCGKSA-N 1 0 303.352 4.380 20 30 DIEDRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000537296292 337928917 /nfs/dbraw/zinc/92/89/17/337928917.db2.gz YIRKUDVIWWDMLZ-JKSUJKDBSA-N 1 0 308.425 4.411 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000537297411 337929082 /nfs/dbraw/zinc/92/90/82/337929082.db2.gz ZDPYFFIXDDLWLD-PNHOKKKMSA-N 1 0 324.399 4.268 20 30 DIEDRO CC(C)(C)c1cccc(OCC[NH2+]Cc2ccc(C#N)s2)c1 ZINC000537299673 337929266 /nfs/dbraw/zinc/92/92/66/337929266.db2.gz NOMKIJIPZNWRLU-UHFFFAOYSA-N 1 0 314.454 4.086 20 30 DIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000537304384 337929955 /nfs/dbraw/zinc/92/99/55/337929955.db2.gz QDXIEBIIYDRBGX-CVEARBPZSA-N 1 0 308.425 4.096 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc2cccnc21)c1ccc(C#N)c(F)c1 ZINC000537406415 337933510 /nfs/dbraw/zinc/93/35/10/337933510.db2.gz HABCJJRZEBUGIL-AWEZNQCLSA-N 1 0 319.383 4.139 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000537408076 337933713 /nfs/dbraw/zinc/93/37/13/337933713.db2.gz VLBVZQGDMLYARE-FDQGKXFDSA-N 1 0 318.436 4.189 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCCC(F)(F)F)cc1Cl ZINC000514785880 337970959 /nfs/dbraw/zinc/97/09/59/337970959.db2.gz VTYXGVCVIBQFEP-UHFFFAOYSA-N 1 0 307.743 4.337 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCC[C@H](F)C2)CC1 ZINC000516181648 338006003 /nfs/dbraw/zinc/00/60/03/338006003.db2.gz OVCBPCUXCXGBND-BMHOQUIDSA-N 1 0 300.421 4.261 20 30 DIEDRO CC(C)CCOC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426372281 338029188 /nfs/dbraw/zinc/02/91/88/338029188.db2.gz NZHNILDNDSVXLE-UHFFFAOYSA-N 1 0 319.876 4.219 20 30 DIEDRO C=CCC(C)(C)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000426403396 338030748 /nfs/dbraw/zinc/03/07/48/338030748.db2.gz WHRUFNOVZCZDDY-UHFFFAOYSA-N 1 0 311.429 4.186 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000426422977 338031851 /nfs/dbraw/zinc/03/18/51/338031851.db2.gz XOERKVIDSNUGKC-KRWDZBQOSA-N 1 0 318.342 4.222 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)Cc1ccsc1 ZINC000426481598 338033385 /nfs/dbraw/zinc/03/33/85/338033385.db2.gz GZQKKJVUTGJSHI-CYBMUJFWSA-N 1 0 302.418 4.212 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CCC(C)C)c2ccoc2)CC1 ZINC000428231931 338043345 /nfs/dbraw/zinc/04/33/45/338043345.db2.gz MCLUSKJVYZGYOJ-LJQANCHMSA-N 1 0 304.478 4.387 20 30 DIEDRO Cc1ccc([C@H]2CCCN2Cc2cccc(F)c2C#N)s1 ZINC000428246204 338044190 /nfs/dbraw/zinc/04/41/90/338044190.db2.gz RBTBOSIMWGAEIP-MRXNPFEDSA-N 1 0 300.402 4.404 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000428388196 338049899 /nfs/dbraw/zinc/04/98/99/338049899.db2.gz MGEAUQJBPPXKME-UHFFFAOYSA-N 1 0 316.332 4.144 20 30 DIEDRO CCCc1nc(C)c(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000428448883 338052028 /nfs/dbraw/zinc/05/20/28/338052028.db2.gz UMHMRNRHEHTXQF-HNNXBMFYSA-N 1 0 311.429 4.390 20 30 DIEDRO CCC[N@H+](Cc1oc(C(C)C)nc1C)Cc1ccc(C#N)cc1 ZINC000428468361 338054097 /nfs/dbraw/zinc/05/40/97/338054097.db2.gz NTBYMLVDVUICGI-UHFFFAOYSA-N 1 0 311.429 4.390 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000428702437 338058787 /nfs/dbraw/zinc/05/87/87/338058787.db2.gz RSIBJRGATLIMRD-FPOVZHCZSA-N 1 0 323.436 4.119 20 30 DIEDRO N#Cc1ccc(C[NH+](C2CCC2)C2CCC2)c(OC(F)F)c1 ZINC000429125827 338071333 /nfs/dbraw/zinc/07/13/33/338071333.db2.gz FYWNBVTWSSXBSG-UHFFFAOYSA-N 1 0 306.356 4.067 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429142214 338071684 /nfs/dbraw/zinc/07/16/84/338071684.db2.gz NIWZBTPJFVVPEJ-OAHLLOKOSA-N 1 0 308.878 4.446 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429573616 338084640 /nfs/dbraw/zinc/08/46/40/338084640.db2.gz BIOYDHCLMWVNNB-GJZGRUSLSA-N 1 0 318.486 4.024 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1CC ZINC000429783209 338089742 /nfs/dbraw/zinc/08/97/42/338089742.db2.gz IAQSBWZDNLHHDI-GJZGRUSLSA-N 1 0 318.486 4.072 20 30 DIEDRO CC[C@@H]1CC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000430196493 338100701 /nfs/dbraw/zinc/10/07/01/338100701.db2.gz RMEBODOECNIWJU-LJQANCHMSA-N 1 0 306.409 4.122 20 30 DIEDRO COc1cccc(C[C@@H]([NH2+]CC2(CC#N)CC2)c2ccccc2)c1 ZINC000430720715 338112268 /nfs/dbraw/zinc/11/22/68/338112268.db2.gz AQPPFJFFHYGASM-HXUWFJFHSA-N 1 0 320.436 4.262 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)c2cccc(Br)c21 ZINC000430739297 338112908 /nfs/dbraw/zinc/11/29/08/338112908.db2.gz HOVXBOIAPHYMJV-RISCZKNCSA-N 1 0 319.246 4.281 20 30 DIEDRO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2(CC#N)CC2)cc1 ZINC000430740562 338112913 /nfs/dbraw/zinc/11/29/13/338112913.db2.gz QEKUALRTXUEYSS-MOPGFXCFSA-N 1 0 312.457 4.393 20 30 DIEDRO N#CCC1(C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000430743463 338113199 /nfs/dbraw/zinc/11/31/99/338113199.db2.gz OZPMQFUZFWTSBU-QGZVFWFLSA-N 1 0 310.441 4.497 20 30 DIEDRO N#CCC1(C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000430743462 338113204 /nfs/dbraw/zinc/11/32/04/338113204.db2.gz OZPMQFUZFWTSBU-KRWDZBQOSA-N 1 0 310.441 4.497 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cc(F)c(Cl)cc1Cl ZINC000430750566 338113569 /nfs/dbraw/zinc/11/35/69/338113569.db2.gz BTRRYRUICUQKHR-SECBINFHSA-N 1 0 301.192 4.477 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC2(CC#N)CC2)c2ccccc2)cc1 ZINC000430752473 338113606 /nfs/dbraw/zinc/11/36/06/338113606.db2.gz GQHZGIFZXKZYCP-IBGZPJMESA-N 1 0 306.409 4.068 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430766897 338114245 /nfs/dbraw/zinc/11/42/45/338114245.db2.gz IDEHJYGXCIDPPN-OAHLLOKOSA-N 1 0 300.471 4.371 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000432500527 338157694 /nfs/dbraw/zinc/15/76/94/338157694.db2.gz IYDURBPBMJHHOA-IEBWSBKVSA-N 1 0 319.452 4.125 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)cc1OC ZINC000432800705 338168485 /nfs/dbraw/zinc/16/84/85/338168485.db2.gz PSCZPYYVBHJUAM-HNNXBMFYSA-N 1 0 301.430 4.025 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433019993 338176535 /nfs/dbraw/zinc/17/65/35/338176535.db2.gz MELLZHRQPUIRAC-PMACEKPBSA-N 1 0 308.425 4.399 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1nc2cccnc2s1)c1ccccc1 ZINC000433022657 338176728 /nfs/dbraw/zinc/17/67/28/338176728.db2.gz LIQAXKLPLHQDSQ-HNNXBMFYSA-N 1 0 322.437 4.216 20 30 DIEDRO COc1nc(C)cc(C)c1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433022250 338176747 /nfs/dbraw/zinc/17/67/47/338176747.db2.gz ULDSHJUUDKEWJV-LJQANCHMSA-N 1 0 323.440 4.232 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433026610 338177006 /nfs/dbraw/zinc/17/70/06/338177006.db2.gz GTMUGXRAKIJPTM-IBGZPJMESA-N 1 0 319.408 4.092 20 30 DIEDRO C[N@H+](CCSCc1ccc(CC#N)cc1)Cc1ccccc1 ZINC000433027603 338177168 /nfs/dbraw/zinc/17/71/68/338177168.db2.gz LUKVCUUZKCCTHX-UHFFFAOYSA-N 1 0 310.466 4.118 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1OC ZINC000434991061 338229273 /nfs/dbraw/zinc/22/92/73/338229273.db2.gz KLOWIRAZQBOKFY-SFHVURJKSA-N 1 0 309.409 4.207 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC000435059487 338231284 /nfs/dbraw/zinc/23/12/84/338231284.db2.gz PTHNHKHDULXKJG-UHFFFAOYSA-N 1 0 300.402 4.081 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000435666195 338244662 /nfs/dbraw/zinc/24/46/62/338244662.db2.gz UXQCJYJDLPJYOO-BJJXKVORSA-N 1 0 324.262 4.081 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1Br ZINC000435672067 338244822 /nfs/dbraw/zinc/24/48/22/338244822.db2.gz HFQDLAISQUBUSV-ZENOOKHLSA-N 1 0 324.262 4.081 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1Br ZINC000435672063 338244855 /nfs/dbraw/zinc/24/48/55/338244855.db2.gz HFQDLAISQUBUSV-WWGRRREGSA-N 1 0 324.262 4.081 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000435735448 338246923 /nfs/dbraw/zinc/24/69/23/338246923.db2.gz MYLFWGVMFKPSTP-NHYWBVRUSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000435741263 338247304 /nfs/dbraw/zinc/24/73/04/338247304.db2.gz IKKVNQNUTMHSCU-NQKFPNJCSA-N 1 0 305.849 4.314 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000436291185 338266556 /nfs/dbraw/zinc/26/65/56/338266556.db2.gz KTYVOMBAFOEGKW-NUTKFTJISA-N 1 0 323.889 4.448 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CSc1ccccc1)C(C)C ZINC000436291912 338266654 /nfs/dbraw/zinc/26/66/54/338266654.db2.gz KTSBBXUIURYUHY-WDSOQIARSA-N 1 0 319.514 4.374 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000436292735 338266769 /nfs/dbraw/zinc/26/67/69/338266769.db2.gz LVMGSYAVTVWQPK-LMMKCTJWSA-N 1 0 301.474 4.314 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000436294320 338266853 /nfs/dbraw/zinc/26/68/53/338266853.db2.gz GDLRPTZHCMDNNF-UHOSZYNNSA-N 1 0 315.457 4.088 20 30 DIEDRO CSc1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000436300230 338267577 /nfs/dbraw/zinc/26/75/77/338267577.db2.gz USPOJDVZWWOUEG-ZDUSSCGKSA-N 1 0 314.429 4.313 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000436302708 338267647 /nfs/dbraw/zinc/26/76/47/338267647.db2.gz BAUOBJLVZXBHIX-QBIMZIAESA-N 1 0 321.848 4.125 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000436307439 338268145 /nfs/dbraw/zinc/26/81/45/338268145.db2.gz NOIXKHKWYPVBTI-UFYCRDLUSA-N 1 0 301.474 4.215 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000436311436 338268455 /nfs/dbraw/zinc/26/84/55/338268455.db2.gz XOETUYUPYXREGC-FPOVZHCZSA-N 1 0 307.437 4.347 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000436312825 338268499 /nfs/dbraw/zinc/26/84/99/338268499.db2.gz VDAYGRFWEZIKRS-WDYCEAGBSA-N 1 0 313.441 4.004 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000436311627 338268575 /nfs/dbraw/zinc/26/85/75/338268575.db2.gz SRDVPNOEFLPFDQ-HBGVWJBISA-N 1 0 322.452 4.380 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000436318848 338268958 /nfs/dbraw/zinc/26/89/58/338268958.db2.gz ZADOPKCAWLKBQE-SKDZVZGDSA-N 1 0 321.848 4.125 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000436481719 338273611 /nfs/dbraw/zinc/27/36/11/338273611.db2.gz DFZLHBDVTKGNBT-MRXNPFEDSA-N 1 0 308.425 4.458 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000436481718 338273763 /nfs/dbraw/zinc/27/37/63/338273763.db2.gz DFZLHBDVTKGNBT-INIZCTEOSA-N 1 0 308.425 4.458 20 30 DIEDRO CSCc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000437094294 338300589 /nfs/dbraw/zinc/30/05/89/338300589.db2.gz IGTMGAWHLNZDHJ-ZDUSSCGKSA-N 1 0 314.429 4.411 20 30 DIEDRO COc1ccc(C#N)cc1CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000437566469 338313548 /nfs/dbraw/zinc/31/35/48/338313548.db2.gz FWQIYBOGBBQOIS-PBHICJAKSA-N 1 0 310.397 4.133 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC[C@@H]2CCOC2)C(C)(C)C)cc1 ZINC000437589538 338315240 /nfs/dbraw/zinc/31/52/40/338315240.db2.gz KWPXQMCDUYIMBF-GOSISDBHSA-N 1 0 317.473 4.279 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438197684 338336153 /nfs/dbraw/zinc/33/61/53/338336153.db2.gz DGJCBRHGWOXSMW-RTWAWAEBSA-N 1 0 312.501 4.127 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c1 ZINC000438465808 338344610 /nfs/dbraw/zinc/34/46/10/338344610.db2.gz CDSDARNOQCSKHR-HNNXBMFYSA-N 1 0 301.352 4.318 20 30 DIEDRO CCC[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000438790989 338352193 /nfs/dbraw/zinc/35/21/93/338352193.db2.gz LZDLNFFTWWKAKW-IBGZPJMESA-N 1 0 321.424 4.018 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)C1CC1 ZINC000438992875 338357887 /nfs/dbraw/zinc/35/78/87/338357887.db2.gz UNUIDWHWNXXYFV-SFHVURJKSA-N 1 0 309.457 4.135 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1C)C1CC1 ZINC000438999463 338358058 /nfs/dbraw/zinc/35/80/58/338358058.db2.gz LWUTULIYRYADJL-QGZVFWFLSA-N 1 0 320.864 4.311 20 30 DIEDRO CC[N@H+](CCc1cccs1)Cc1ccc(C#N)cc1Cl ZINC000439441933 338369699 /nfs/dbraw/zinc/36/96/99/338369699.db2.gz QTHRMBLVBRNDKW-UHFFFAOYSA-N 1 0 304.846 4.338 20 30 DIEDRO CCC[N@H+](Cc1nc2ccc(F)cc2o1)Cc1ccc(C#N)cc1 ZINC000162863558 338399196 /nfs/dbraw/zinc/39/91/96/338399196.db2.gz HTRJPLGYTFYWBQ-UHFFFAOYSA-N 1 0 323.371 4.251 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000442722158 338429116 /nfs/dbraw/zinc/42/91/16/338429116.db2.gz UUBVTWQVOOXNQB-IUODEOHRSA-N 1 0 321.262 4.009 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)C1 ZINC000442765941 338429907 /nfs/dbraw/zinc/42/99/07/338429907.db2.gz KEXJRVIBVJOARD-OXQOHEQNSA-N 1 0 318.420 4.070 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000442771861 338430158 /nfs/dbraw/zinc/43/01/58/338430158.db2.gz UPWOJCSKDIXTPO-CRAIPNDOSA-N 1 0 310.466 4.355 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000442774670 338430285 /nfs/dbraw/zinc/43/02/85/338430285.db2.gz ARPHNCSKPURGHX-KBPBESRZSA-N 1 0 304.384 4.058 20 30 DIEDRO COc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442776442 338430386 /nfs/dbraw/zinc/43/03/86/338430386.db2.gz HKRBBXUWNMIHMC-SJORKVTESA-N 1 0 322.408 4.269 20 30 DIEDRO COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442776433 338430474 /nfs/dbraw/zinc/43/04/74/338430474.db2.gz HKRBBXUWNMIHMC-DLBZAZTESA-N 1 0 322.408 4.269 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000442789069 338431526 /nfs/dbraw/zinc/43/15/26/338431526.db2.gz DFEOASHHTJJCGS-HMXCVIKNSA-N 1 0 304.437 4.295 20 30 DIEDRO CC[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(C#N)cc1 ZINC000442809170 338432922 /nfs/dbraw/zinc/43/29/22/338432922.db2.gz JOMAMRHERNBHLI-IBGZPJMESA-N 1 0 303.409 4.323 20 30 DIEDRO CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442825608 338433610 /nfs/dbraw/zinc/43/36/10/338433610.db2.gz LFTFRELYICQDHD-YUELXQCFSA-N 1 0 321.262 4.052 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000442836091 338433960 /nfs/dbraw/zinc/43/39/60/338433960.db2.gz GKVXWMKVRQLNCO-UKRRQHHQSA-N 1 0 304.384 4.058 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000442856356 338435113 /nfs/dbraw/zinc/43/51/13/338435113.db2.gz DFKISZLPDMYLJA-SWLSCSKDSA-N 1 0 308.347 4.019 20 30 DIEDRO Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CCC(C#N)CC1)CCCO2 ZINC000442868154 338436373 /nfs/dbraw/zinc/43/63/73/338436373.db2.gz MZYXEGMRCAPDME-TVPLGVNVSA-N 1 0 312.457 4.437 20 30 DIEDRO CC[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccc(C#N)cc1 ZINC000447518551 338553662 /nfs/dbraw/zinc/55/36/62/338553662.db2.gz WNYJCZDSVSJMKR-GOSISDBHSA-N 1 0 318.424 4.039 20 30 DIEDRO CC[C@@H]([NH2+]CCCN(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447518721 338553685 /nfs/dbraw/zinc/55/36/85/338553685.db2.gz DOIVHVMNRKMYHM-HXUWFJFHSA-N 1 0 307.441 4.125 20 30 DIEDRO CC[C@H]([NH2+]CCCCc1nc(C)cs1)c1ccc(C#N)cc1 ZINC000447528899 338554216 /nfs/dbraw/zinc/55/42/16/338554216.db2.gz JVARUUNPAKAMOW-KRWDZBQOSA-N 1 0 313.470 4.387 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]CCSCc2ccccc2C#N)c(C)o1 ZINC000447533965 338554922 /nfs/dbraw/zinc/55/49/22/338554922.db2.gz TWYOTAUDEUDCFW-AWEZNQCLSA-N 1 0 314.454 4.352 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000447543889 338555757 /nfs/dbraw/zinc/55/57/57/338555757.db2.gz TTZKGKNOFVUMFQ-LEWJYISDSA-N 1 0 321.468 4.210 20 30 DIEDRO CC1(C#N)CCC(Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000449047546 338587654 /nfs/dbraw/zinc/58/76/54/338587654.db2.gz BYBBTYUOLPTZLC-UHFFFAOYSA-N 1 0 311.473 4.209 20 30 DIEDRO COc1ccc([C@H]([NH2+]C2CCC(C)(C#N)CC2)C(C)C)cc1 ZINC000449067137 338590039 /nfs/dbraw/zinc/59/00/39/338590039.db2.gz IUCHCWPNCJIHET-CUYAVPTFSA-N 1 0 300.446 4.454 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000449095217 338593040 /nfs/dbraw/zinc/59/30/40/338593040.db2.gz XBDOMVKORWKZII-YAJUMTOWSA-N 1 0 304.821 4.226 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000449096167 338593053 /nfs/dbraw/zinc/59/30/53/338593053.db2.gz FGVUEGKYRFZUCE-LHQJTOJGSA-N 1 0 312.457 4.216 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC000449125792 338595453 /nfs/dbraw/zinc/59/54/53/338595453.db2.gz KGOBMKZRXJABFV-IOJLRTSASA-N 1 0 305.425 4.233 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000449125791 338595490 /nfs/dbraw/zinc/59/54/90/338595490.db2.gz KGOBMKZRXJABFV-GPJFCIFZSA-N 1 0 305.425 4.233 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C12CCCCC2 ZINC000449152344 338597274 /nfs/dbraw/zinc/59/72/74/338597274.db2.gz DWUVQGBULNQOCE-QLOLRVAOSA-N 1 0 304.478 4.176 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(-c3cccnc3)cc2)CC1 ZINC000449169190 338598813 /nfs/dbraw/zinc/59/88/13/338598813.db2.gz CSPOPAAECXRBTP-UHFFFAOYSA-N 1 0 305.425 4.311 20 30 DIEDRO C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1ccc(Cl)cc1 ZINC000449170221 338598988 /nfs/dbraw/zinc/59/89/88/338598988.db2.gz FRMGTCZIFGYHCJ-BZOOQXSSSA-N 1 0 306.837 4.169 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000449216793 338603186 /nfs/dbraw/zinc/60/31/86/338603186.db2.gz VFTMSXFIOGPFGR-OTBHMBEGSA-N 1 0 312.457 4.216 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)ccc1C#N ZINC000449347390 338615804 /nfs/dbraw/zinc/61/58/04/338615804.db2.gz CFYCENHKPZOJNK-LJQANCHMSA-N 1 0 312.363 4.312 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000449348430 338615925 /nfs/dbraw/zinc/61/59/25/338615925.db2.gz GHJQNKGRPRDINK-LKGZKJKYSA-N 1 0 304.384 4.404 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]Cc1nc(C)c(Br)s1 ZINC000449402244 338621157 /nfs/dbraw/zinc/62/11/57/338621157.db2.gz QHMRTCRGWWNZDW-SNVBAGLBSA-N 1 0 303.269 4.048 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1OC ZINC000449445587 338624632 /nfs/dbraw/zinc/62/46/32/338624632.db2.gz KGCSGASCNKVWKD-RDJZCZTQSA-N 1 0 316.445 4.046 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000449770426 338651493 /nfs/dbraw/zinc/65/14/93/338651493.db2.gz ITWBAXUROVZOAN-GXTWGEPZSA-N 1 0 317.845 4.094 20 30 DIEDRO N#Cc1c(Cl)cccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000450368260 338680223 /nfs/dbraw/zinc/68/02/23/338680223.db2.gz FTGMUTAFNBJPCU-UHFFFAOYSA-N 1 0 303.837 4.031 20 30 DIEDRO CO[C@H](C[NH2+][C@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000451060543 338720050 /nfs/dbraw/zinc/72/00/50/338720050.db2.gz GANIVRQNDPKXCK-LEWJYISDSA-N 1 0 322.452 4.269 20 30 DIEDRO C[C@H]([NH2+]C1(Cc2ccccc2)CCOCC1)c1ccc(C#N)cc1 ZINC000451938796 338748533 /nfs/dbraw/zinc/74/85/33/338748533.db2.gz INXMLCQXKLZKFA-KRWDZBQOSA-N 1 0 320.436 4.001 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(C#N)cc1F ZINC000453222813 338810049 /nfs/dbraw/zinc/81/00/49/338810049.db2.gz RHFHSFHADUVHIE-TZMCWYRMSA-N 1 0 312.413 4.237 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCCC1(F)F ZINC000453325973 338825264 /nfs/dbraw/zinc/82/52/64/338825264.db2.gz XNTZJMCMYIWZMX-RDJZCZTQSA-N 1 0 304.384 4.351 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000453333764 338826520 /nfs/dbraw/zinc/82/65/20/338826520.db2.gz DKCIEUSCOZHEGT-BEVDRBHNSA-N 1 0 308.425 4.133 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CCc4ccc(C#N)cc43)C2)c1 ZINC000453356908 338830867 /nfs/dbraw/zinc/83/08/67/338830867.db2.gz JBTOKFORTICTJD-WFXMLNOXSA-N 1 0 318.420 4.090 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1F ZINC000453366144 338832528 /nfs/dbraw/zinc/83/25/28/338832528.db2.gz MEBLHWLEYCJXMB-IFXJQAMLSA-N 1 0 323.415 4.319 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2c(s1)CCC2 ZINC000453370199 338833089 /nfs/dbraw/zinc/83/30/89/338833089.db2.gz FTUWHUMALKTCGX-LLVKDONJSA-N 1 0 300.402 4.098 20 30 DIEDRO C=CCC1(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CCCC1 ZINC000453371603 338833472 /nfs/dbraw/zinc/83/34/72/338833472.db2.gz NVVMBGQUVNXECF-DLBZAZTESA-N 1 0 301.478 4.172 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)C1 ZINC000453379053 338834800 /nfs/dbraw/zinc/83/48/00/338834800.db2.gz QIIHLJWFZCTFIX-BEFAXECRSA-N 1 0 318.411 4.302 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)C1 ZINC000453379060 338834876 /nfs/dbraw/zinc/83/48/76/338834876.db2.gz QIIHLJWFZCTFIX-KXBFYZLASA-N 1 0 318.411 4.302 20 30 DIEDRO C=C1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459322607 339021587 /nfs/dbraw/zinc/02/15/87/339021587.db2.gz CRCLHPYKUUOXJU-UHFFFAOYSA-N 1 0 322.456 4.212 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459570551 339036577 /nfs/dbraw/zinc/03/65/77/339036577.db2.gz DRPZDBHXKYPWTE-UHFFFAOYSA-N 1 0 324.472 4.362 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000459638885 339039765 /nfs/dbraw/zinc/03/97/65/339039765.db2.gz NSRNHJWGAXWBCC-CQSZACIVSA-N 1 0 313.832 4.108 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cncc(F)c1 ZINC000459655809 339040867 /nfs/dbraw/zinc/04/08/67/339040867.db2.gz VFOINJNALFPTAF-VMEOHVCESA-N 1 0 323.415 4.275 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000459671577 339042174 /nfs/dbraw/zinc/04/21/74/339042174.db2.gz WVGAXJNFNOZWJF-BXUZGUMPSA-N 1 0 306.793 4.058 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000459684262 339043076 /nfs/dbraw/zinc/04/30/76/339043076.db2.gz BWWZMZZEOSLVLK-UHFFFAOYSA-N 1 0 304.743 4.388 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)Oc2cccc(C)c2)c1 ZINC000462741372 339086271 /nfs/dbraw/zinc/08/62/71/339086271.db2.gz TZWRUPXIJGPZKE-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)Oc2cccc(C)c2)c1 ZINC000462741374 339086341 /nfs/dbraw/zinc/08/63/41/339086341.db2.gz TZWRUPXIJGPZKE-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2C[C@H](OCC)C23CCCC3)c1 ZINC000462745666 339086445 /nfs/dbraw/zinc/08/64/45/339086445.db2.gz LLMYPWTYNMSMIS-MOPGFXCFSA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462820006 339091783 /nfs/dbraw/zinc/09/17/83/339091783.db2.gz UPMFRXDVINRFNR-CYBMUJFWSA-N 1 0 320.433 4.193 20 30 DIEDRO C[N@H+](CCc1cccc(Br)c1)CC(C)(C)CCC#N ZINC000462827369 339092688 /nfs/dbraw/zinc/09/26/88/339092688.db2.gz WZZAPSSZURSONN-UHFFFAOYSA-N 1 0 323.278 4.253 20 30 DIEDRO C[NH+](C)[C@H](CNc1ccc(F)cc1C#N)c1ccccc1Cl ZINC000462929102 339098284 /nfs/dbraw/zinc/09/82/84/339098284.db2.gz YUVQGPJTIHWRNI-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO CC(C)(C)c1cccc(OCC[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000463237278 339111045 /nfs/dbraw/zinc/11/10/45/339111045.db2.gz VFXMBKAZNWWHOG-RDJZCZTQSA-N 1 0 300.446 4.035 20 30 DIEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000463238843 339111133 /nfs/dbraw/zinc/11/11/33/339111133.db2.gz TZYUTWUABYBTFS-KVPLUYHFSA-N 1 0 312.457 4.357 20 30 DIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463239620 339111233 /nfs/dbraw/zinc/11/12/33/339111233.db2.gz YGQLRRVNTDQMHW-NUJGCVRESA-N 1 0 300.446 4.454 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000463276736 339112904 /nfs/dbraw/zinc/11/29/04/339112904.db2.gz ARTIUOWDVNCGLV-YLJYHZDGSA-N 1 0 304.437 4.490 20 30 DIEDRO CC(C)(C)c1ccccc1OCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463284712 339113469 /nfs/dbraw/zinc/11/34/69/339113469.db2.gz QFPCEHKMOOJYHP-HOTGVXAUSA-N 1 0 300.446 4.035 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000463402451 339116681 /nfs/dbraw/zinc/11/66/81/339116681.db2.gz GXJCOTKMHCSQFO-HNAYVOBHSA-N 1 0 320.436 4.338 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463435452 339117668 /nfs/dbraw/zinc/11/76/68/339117668.db2.gz IPDSJFDXZJXXKU-HIFRSBDPSA-N 1 0 314.326 4.250 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463441778 339117855 /nfs/dbraw/zinc/11/78/55/339117855.db2.gz SLHLMLHHZJNNPY-QUCCMNQESA-N 1 0 301.474 4.048 20 30 DIEDRO CC#CCCCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000464440964 339142065 /nfs/dbraw/zinc/14/20/65/339142065.db2.gz YRJFFSCVNWJJSV-KRWDZBQOSA-N 1 0 312.457 4.193 20 30 DIEDRO CC#CCCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000464557772 339145145 /nfs/dbraw/zinc/14/51/45/339145145.db2.gz NZCIWXMLOXHRKS-QGZVFWFLSA-N 1 0 312.457 4.051 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000464743082 339150642 /nfs/dbraw/zinc/15/06/42/339150642.db2.gz YMRDGJCEJODDNX-QRWLVFNGSA-N 1 0 324.399 4.159 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000464743283 339150681 /nfs/dbraw/zinc/15/06/81/339150681.db2.gz YMRDGJCEJODDNX-YWZLYKJASA-N 1 0 324.399 4.159 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)[C@H](c2ccco2)C1 ZINC000464852790 339157942 /nfs/dbraw/zinc/15/79/42/339157942.db2.gz CDWRZERSECOBRZ-WBVHZDCISA-N 1 0 310.397 4.003 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000464855863 339158165 /nfs/dbraw/zinc/15/81/65/339158165.db2.gz HWIVBGSJVGHEQU-CRAIPNDOSA-N 1 0 310.397 4.003 20 30 DIEDRO C=C[C@H](C)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000465179487 339171027 /nfs/dbraw/zinc/17/10/27/339171027.db2.gz QKYSGQYWTSJLOJ-HNNXBMFYSA-N 1 0 315.461 4.147 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000466387835 339201900 /nfs/dbraw/zinc/20/19/00/339201900.db2.gz VMLYESKZONFQII-MRXNPFEDSA-N 1 0 316.470 4.475 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000466403809 339202824 /nfs/dbraw/zinc/20/28/24/339202824.db2.gz JOWJMDFAJGQSEJ-ZDUSSCGKSA-N 1 0 300.358 4.299 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2cccc(OC3CCCC3)c2)c1 ZINC000466412990 339203334 /nfs/dbraw/zinc/20/33/34/339203334.db2.gz ZYLHQZCSUDVLSS-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000466424322 339204289 /nfs/dbraw/zinc/20/42/89/339204289.db2.gz HCXDKZHHLSAAEE-FPOVZHCZSA-N 1 0 304.437 4.102 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCc1cccc(C#N)c1 ZINC000466426882 339204476 /nfs/dbraw/zinc/20/44/76/339204476.db2.gz YISMEYGMRYCETH-UHFFFAOYSA-N 1 0 318.342 4.218 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(-c3ccccc3F)o2)c1 ZINC000466426433 339204519 /nfs/dbraw/zinc/20/45/19/339204519.db2.gz UHJDIKBYUUBNLO-UHFFFAOYSA-N 1 0 320.367 4.290 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)s1 ZINC000466476469 339206785 /nfs/dbraw/zinc/20/67/85/339206785.db2.gz YKPPVGOMGWDBMO-UHFFFAOYSA-N 1 0 320.820 4.448 20 30 DIEDRO N#CCSCCC[N@@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000466721771 339214220 /nfs/dbraw/zinc/21/42/20/339214220.db2.gz GMXSQZLTILHBEJ-UHFFFAOYSA-N 1 0 322.905 4.241 20 30 DIEDRO CC(C)c1ccc(C[N@H+](CCCSCC#N)C2CC2)cc1 ZINC000466728587 339214571 /nfs/dbraw/zinc/21/45/71/339214571.db2.gz OVKXSFJJRWCIAE-UHFFFAOYSA-N 1 0 302.487 4.421 20 30 DIEDRO C=CC1CC[NH+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000466743899 339215439 /nfs/dbraw/zinc/21/54/39/339215439.db2.gz QRBJOXYEVGOJGO-GFCCVEGCSA-N 1 0 317.820 4.349 20 30 DIEDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCCSCC#N)cc1 ZINC000466743621 339215449 /nfs/dbraw/zinc/21/54/49/339215449.db2.gz MRZFBJIYVIZTLS-WMZOPIPTSA-N 1 0 302.487 4.415 20 30 DIEDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2CCCSCC#N)o1 ZINC000466745110 339215589 /nfs/dbraw/zinc/21/55/89/339215589.db2.gz HKGNCEDFYCMYIT-INIZCTEOSA-N 1 0 306.475 4.406 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000467162614 339227203 /nfs/dbraw/zinc/22/72/03/339227203.db2.gz ZFOLNWDWAYYQRL-LBPRGKRZSA-N 1 0 305.809 4.349 20 30 DIEDRO N#CCSCCC[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000467195896 339227892 /nfs/dbraw/zinc/22/78/92/339227892.db2.gz NPBSXRGLEJCGDL-UHFFFAOYSA-N 1 0 324.440 4.356 20 30 DIEDRO C=CCC[N@@H+](C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000467294351 339230060 /nfs/dbraw/zinc/23/00/60/339230060.db2.gz XLEMOECWGCTOLX-SFHVURJKSA-N 1 0 312.388 4.013 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000467410922 339237059 /nfs/dbraw/zinc/23/70/59/339237059.db2.gz LVBXGNQXTTVTJD-GOEBONIOSA-N 1 0 303.450 4.222 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000467414415 339237284 /nfs/dbraw/zinc/23/72/84/339237284.db2.gz UMRZVAPOGDVNSP-ZBFHGGJFSA-N 1 0 322.880 4.021 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000467414414 339237368 /nfs/dbraw/zinc/23/73/68/339237368.db2.gz UMRZVAPOGDVNSP-HOCLYGCPSA-N 1 0 322.880 4.021 20 30 DIEDRO N#Cc1cccc(CC[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000467428485 339237864 /nfs/dbraw/zinc/23/78/64/339237864.db2.gz HTYOUNPYCKGBPH-UHFFFAOYSA-N 1 0 312.416 4.480 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(F)cc1Cl ZINC000467428853 339237925 /nfs/dbraw/zinc/23/79/25/339237925.db2.gz JOHSJIWHDKANMA-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000467442404 339238861 /nfs/dbraw/zinc/23/88/61/339238861.db2.gz MDFDAWHORPXDPM-PMACEKPBSA-N 1 0 308.400 4.166 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000467442405 339238961 /nfs/dbraw/zinc/23/89/61/339238961.db2.gz MDFDAWHORPXDPM-UXHICEINSA-N 1 0 308.400 4.166 20 30 DIEDRO C=C[C@](C)(CC)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000467517133 339240719 /nfs/dbraw/zinc/24/07/19/339240719.db2.gz CVSCLYFULFCXFH-LJQANCHMSA-N 1 0 300.446 4.213 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1F ZINC000468265674 339258058 /nfs/dbraw/zinc/25/80/58/339258058.db2.gz GPFYUQKBWWCUCO-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)ccc1F ZINC000468267858 339258206 /nfs/dbraw/zinc/25/82/06/339258206.db2.gz KDHAQJKGQHLNGR-SFHVURJKSA-N 1 0 312.363 4.044 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000468277330 339258710 /nfs/dbraw/zinc/25/87/10/339258710.db2.gz DORVYYLGJQTZTR-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468290086 339258984 /nfs/dbraw/zinc/25/89/84/339258984.db2.gz MVYZFBOIHXCOPR-FQEVSTJZSA-N 1 0 324.399 4.215 20 30 DIEDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]Cc1cccc(C#N)c1 ZINC000468363886 339260689 /nfs/dbraw/zinc/26/06/89/339260689.db2.gz XGNKGUAOXRGFNN-LBPRGKRZSA-N 1 0 304.846 4.384 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000468366287 339260732 /nfs/dbraw/zinc/26/07/32/339260732.db2.gz FEKJXATYYGTAEB-CTNGQTDRSA-N 1 0 312.501 4.028 20 30 DIEDRO N#Cc1ccc(F)cc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000469128213 339280950 /nfs/dbraw/zinc/28/09/50/339280950.db2.gz XIBFABQYFHNPLY-UHFFFAOYSA-N 1 0 310.347 4.126 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469458715 339290195 /nfs/dbraw/zinc/29/01/95/339290195.db2.gz JKBIQCMXFPOYMH-XJKSGUPXSA-N 1 0 312.363 4.387 20 30 DIEDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000469777861 339299161 /nfs/dbraw/zinc/29/91/61/339299161.db2.gz YHIQKEQJPRXXCF-CVEARBPZSA-N 1 0 308.878 4.366 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469780183 339299295 /nfs/dbraw/zinc/29/92/95/339299295.db2.gz NIIRGEYZOBLHSF-CJNGLKHVSA-N 1 0 314.395 4.252 20 30 DIEDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000469993639 339307263 /nfs/dbraw/zinc/30/72/63/339307263.db2.gz UZJPXRRMCUJTLL-CQSZACIVSA-N 1 0 315.766 4.354 20 30 DIEDRO CC1(C)[C@H](C(F)(F)F)CCN1CC#Cc1ccccc1Cl ZINC000470000406 339307963 /nfs/dbraw/zinc/30/79/63/339307963.db2.gz RNKGIYFZVYKVRL-CQSZACIVSA-N 1 0 315.766 4.354 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cc(Br)cc2cccnc21 ZINC000470199512 339313989 /nfs/dbraw/zinc/31/39/89/339313989.db2.gz DVKXCAURFJFULG-UHFFFAOYSA-N 1 0 317.230 4.171 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000470199813 339314003 /nfs/dbraw/zinc/31/40/03/339314003.db2.gz GSWWCCNAOZNBPY-UHFFFAOYSA-N 1 0 319.246 4.395 20 30 DIEDRO C=CCOCCC[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000470764135 339326976 /nfs/dbraw/zinc/32/69/76/339326976.db2.gz HEZYXPFFWWAKQP-UHFFFAOYSA-N 1 0 301.352 4.123 20 30 DIEDRO C=CCOCCC[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000470771539 339327447 /nfs/dbraw/zinc/32/74/47/339327447.db2.gz GQVMQKHCCZQQBN-GOSISDBHSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000470774344 339327474 /nfs/dbraw/zinc/32/74/74/339327474.db2.gz SDAPFSINQYKECZ-CQSZACIVSA-N 1 0 316.470 4.362 20 30 DIEDRO C=CCOCCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000470771610 339327493 /nfs/dbraw/zinc/32/74/93/339327493.db2.gz GMOOYFQWDYPAIH-UHFFFAOYSA-N 1 0 324.262 4.011 20 30 DIEDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000470955838 339332786 /nfs/dbraw/zinc/33/27/86/339332786.db2.gz OYWAYXJIIXVFRF-JSGCOSHPSA-N 1 0 310.363 4.260 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000471594684 339348606 /nfs/dbraw/zinc/34/86/06/339348606.db2.gz RBHGFGOJSYMSQM-HNNXBMFYSA-N 1 0 322.880 4.023 20 30 DIEDRO C=CCCCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000471594443 339348627 /nfs/dbraw/zinc/34/86/27/339348627.db2.gz DBHPOATWXQIWJK-SFHVURJKSA-N 1 0 302.368 4.395 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000471614393 339349617 /nfs/dbraw/zinc/34/96/17/339349617.db2.gz ZVJKWYDCBJSLAG-INIZCTEOSA-N 1 0 302.462 4.473 20 30 DIEDRO C=CCCCCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000471700838 339351467 /nfs/dbraw/zinc/35/14/67/339351467.db2.gz MBOUSRGXKOKGFD-UHFFFAOYSA-N 1 0 302.462 4.003 20 30 DIEDRO Cc1ccc2[nH]c(C[N@@H+](C)Cc3ccc(C#N)cc3)cc2c1C ZINC000473140087 339382300 /nfs/dbraw/zinc/38/23/00/339382300.db2.gz BJXNUZHUWOCVCZ-UHFFFAOYSA-N 1 0 303.409 4.288 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000474708963 339423096 /nfs/dbraw/zinc/42/30/96/339423096.db2.gz MOWJOUNAVCZBIN-FQEVSTJZSA-N 1 0 300.490 4.056 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000475317516 339445921 /nfs/dbraw/zinc/44/59/21/339445921.db2.gz ZZYFNYFFLJKTMB-YJBOKZPZSA-N 1 0 309.400 4.113 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000475358626 339449097 /nfs/dbraw/zinc/44/90/97/339449097.db2.gz QHMXZPXHMSTANT-HIFRSBDPSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)cc1 ZINC000498364233 339449334 /nfs/dbraw/zinc/44/93/34/339449334.db2.gz OCBJFEMDGJKCJU-UHFFFAOYSA-N 1 0 314.791 4.172 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000475568845 339455722 /nfs/dbraw/zinc/45/57/22/339455722.db2.gz BPJJXEQUNGFCCJ-DZGCQCFKSA-N 1 0 300.402 4.185 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CCOC)c2ccc(C)o2)cc1 ZINC000478355813 339514075 /nfs/dbraw/zinc/51/40/75/339514075.db2.gz KPOZEHJMZVFRSR-GOSISDBHSA-N 1 0 315.413 4.020 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000479447010 339535604 /nfs/dbraw/zinc/53/56/04/339535604.db2.gz BOMPEAXPBYYQLR-VWKPWSFCSA-N 1 0 320.436 4.301 20 30 DIEDRO CC[C@@H](C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000480353067 339570141 /nfs/dbraw/zinc/57/01/41/339570141.db2.gz BMZMZTQUWZNUNW-FZKQIMNGSA-N 1 0 315.848 4.427 20 30 DIEDRO CC(C)Cc1ccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000480370617 339570989 /nfs/dbraw/zinc/57/09/89/339570989.db2.gz GXZHHAWQCBCTEK-NRFANRHFSA-N 1 0 321.468 4.336 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000481372757 339602649 /nfs/dbraw/zinc/60/26/49/339602649.db2.gz GAPSOHONYXYALZ-FZKQIMNGSA-N 1 0 314.816 4.077 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000481383712 339602848 /nfs/dbraw/zinc/60/28/48/339602848.db2.gz SBOPYCYMTSEVDD-SCLBCKFNSA-N 1 0 314.816 4.077 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000481657677 339608894 /nfs/dbraw/zinc/60/88/94/339608894.db2.gz NITGPRIQYSDDTL-UYAOXDASSA-N 1 0 324.468 4.407 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCC(F)(F)C1 ZINC000481667250 339609234 /nfs/dbraw/zinc/60/92/34/339609234.db2.gz JTCDFBBFFDQNKP-DOTOQJQBSA-N 1 0 304.384 4.493 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000482646373 339638857 /nfs/dbraw/zinc/63/88/57/339638857.db2.gz KWICIGDEUZAQKO-IBGZPJMESA-N 1 0 318.892 4.348 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000483631288 339670139 /nfs/dbraw/zinc/67/01/39/339670139.db2.gz AYVKUKRVCCTQTE-DOTOQJQBSA-N 1 0 313.445 4.446 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483663317 339671255 /nfs/dbraw/zinc/67/12/55/339671255.db2.gz RHSYXKBKNXICRY-YUTCNCBUSA-N 1 0 317.408 4.435 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc2ncsc2c1 ZINC000483713483 339672489 /nfs/dbraw/zinc/67/24/89/339672489.db2.gz UFSWLRVBERFAHU-NSHDSACASA-N 1 0 311.385 4.158 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000484057589 339680329 /nfs/dbraw/zinc/68/03/29/339680329.db2.gz IBVJBNKRMXAYSW-GOSISDBHSA-N 1 0 318.342 4.462 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2c3ccccc3-c3ccccc32)s1 ZINC000484779129 339693213 /nfs/dbraw/zinc/69/32/13/339693213.db2.gz FNDSCJUSZGKSEI-UHFFFAOYSA-N 1 0 302.402 4.479 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000488133663 339771466 /nfs/dbraw/zinc/77/14/66/339771466.db2.gz YCMWCARRWLIFNY-GOSISDBHSA-N 1 0 309.369 4.016 20 30 DIEDRO C=CC[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000488324135 339777193 /nfs/dbraw/zinc/77/71/93/339777193.db2.gz JJMKOCODDYGMNE-FQEVSTJZSA-N 1 0 322.452 4.089 20 30 DIEDRO Cc1cccc([C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000490036612 339824088 /nfs/dbraw/zinc/82/40/88/339824088.db2.gz DRPUCDQLRSXLSP-QGZVFWFLSA-N 1 0 320.436 4.471 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000493552065 339928123 /nfs/dbraw/zinc/92/81/23/339928123.db2.gz SYRABSYKLWLCAY-SFTDATJTSA-N 1 0 304.437 4.254 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)CCCC(F)(F)F)c1 ZINC000494841902 339961981 /nfs/dbraw/zinc/96/19/81/339961981.db2.gz IRDZBHAVJNEMQP-ZDUSSCGKSA-N 1 0 301.352 4.462 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000495004560 339969975 /nfs/dbraw/zinc/96/99/75/339969975.db2.gz GUNJVSFMZHZUHI-CRAIPNDOSA-N 1 0 318.436 4.213 20 30 DIEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499531577 340038806 /nfs/dbraw/zinc/03/88/06/340038806.db2.gz MAMLUWSNXISSID-SJORKVTESA-N 1 0 306.494 4.281 20 30 DIEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499531576 340038843 /nfs/dbraw/zinc/03/88/43/340038843.db2.gz MAMLUWSNXISSID-IRXDYDNUSA-N 1 0 306.494 4.281 20 30 DIEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499697949 340042943 /nfs/dbraw/zinc/04/29/43/340042943.db2.gz WKZZLLUNPHGITF-ZWKOTPCHSA-N 1 0 306.494 4.281 20 30 DIEDRO C[C@@H](C[N@H+](CCC#N)CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000500114658 340050575 /nfs/dbraw/zinc/05/05/75/340050575.db2.gz JBHMALRFLVTCCT-ZDUSSCGKSA-N 1 0 310.363 4.435 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000500227435 340053411 /nfs/dbraw/zinc/05/34/11/340053411.db2.gz UCFJASKJWMONOL-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO C[C@H]1C[C@@]1([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000500416741 340057685 /nfs/dbraw/zinc/05/76/85/340057685.db2.gz OTSHJSWMQHUJBK-SGTLLEGYSA-N 1 0 314.791 4.376 20 30 DIEDRO CC[C@H]1C[C@]1([NH2+]Cc1ccc(C#N)cc1F)c1cccc(C)c1 ZINC000500492853 340060571 /nfs/dbraw/zinc/06/05/71/340060571.db2.gz ABTXSOZTUQFNAQ-FXAWDEMLSA-N 1 0 308.400 4.421 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)cc(OC)c1O ZINC000500892214 340069239 /nfs/dbraw/zinc/06/92/39/340069239.db2.gz GTOUAXJIVRKGDT-JKIFEVAISA-N 1 0 303.446 4.044 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1OC)[C@H](C)c1ccc(F)cc1 ZINC000501202518 340076119 /nfs/dbraw/zinc/07/61/19/340076119.db2.gz JAAZNXKJVHLYPZ-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000501237664 340076876 /nfs/dbraw/zinc/07/68/76/340076876.db2.gz HMVGSIJPHPCXDV-HNNXBMFYSA-N 1 0 306.409 4.292 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000501483897 340082041 /nfs/dbraw/zinc/08/20/41/340082041.db2.gz XHCTXLAURMNNJU-FXAWDEMLSA-N 1 0 322.452 4.462 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000501494446 340082215 /nfs/dbraw/zinc/08/22/15/340082215.db2.gz JPGUHLDELVGZCH-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC000501550652 340083306 /nfs/dbraw/zinc/08/33/06/340083306.db2.gz LOPQCZRRPGDHRW-CQSZACIVSA-N 1 0 312.438 4.010 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501848132 340089738 /nfs/dbraw/zinc/08/97/38/340089738.db2.gz IGLDCRTWHIJTTJ-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO CC[C@H]1C[C@@]1([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(C)c1 ZINC000502550155 340107507 /nfs/dbraw/zinc/10/75/07/340107507.db2.gz HHBSUIPLUDNYMV-PXNSSMCTSA-N 1 0 308.400 4.421 20 30 DIEDRO C[C@H]1C[C@]1([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000503378603 340126798 /nfs/dbraw/zinc/12/67/98/340126798.db2.gz STAYAODMODSIFN-KPZWWZAWSA-N 1 0 314.791 4.376 20 30 DIEDRO C[C@H]1C[C@@]1([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000503426656 340127989 /nfs/dbraw/zinc/12/79/89/340127989.db2.gz AGABAUNCRGPSDA-SGTLLEGYSA-N 1 0 314.791 4.376 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000503575877 340131405 /nfs/dbraw/zinc/13/14/05/340131405.db2.gz LBNAGICVYBUGBW-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503873324 340135521 /nfs/dbraw/zinc/13/55/21/340135521.db2.gz PCJIHQSCDSJKHB-UXHICEINSA-N 1 0 324.468 4.314 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503873329 340135575 /nfs/dbraw/zinc/13/55/75/340135575.db2.gz PCJIHQSCDSJKHB-WOJBJXKFSA-N 1 0 324.468 4.314 20 30 DIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(C#N)c1 ZINC000503922302 340136981 /nfs/dbraw/zinc/13/69/81/340136981.db2.gz VXQOVLZNBIZOPU-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(Br)c1 ZINC000506235149 340189558 /nfs/dbraw/zinc/18/95/58/340189558.db2.gz MIGMMASRHCYRIP-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505867380 340180020 /nfs/dbraw/zinc/18/00/20/340180020.db2.gz BQXMETKNDGIOTO-WMZOPIPTSA-N 1 0 306.409 4.020 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cn(C)nc1-c1ccccc1Cl ZINC000505863243 340180135 /nfs/dbraw/zinc/18/01/35/340180135.db2.gz BEPQQRLUNNWJML-UHFFFAOYSA-N 1 0 303.837 4.139 20 30 DIEDRO N#Cc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)o1 ZINC000505881489 340180680 /nfs/dbraw/zinc/18/06/80/340180680.db2.gz MUCGTDOJEVZOLC-UHFFFAOYSA-N 1 0 316.404 4.396 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)Cc2sccc2C)cc1OC ZINC000506008702 340183155 /nfs/dbraw/zinc/18/31/55/340183155.db2.gz FBDOYYHVMQMTQU-UHFFFAOYSA-N 1 0 317.454 4.262 20 30 DIEDRO CC(C)(C)c1cccc(OCCC[NH+]2CCC(C)(C#N)CC2)c1 ZINC000506052850 340184459 /nfs/dbraw/zinc/18/44/59/340184459.db2.gz ZRWQHTJBMJLBOY-UHFFFAOYSA-N 1 0 314.473 4.379 20 30 DIEDRO Cc1oc(-c2ccccc2)nc1CN(C)Cc1ccc(C#N)cc1 ZINC000506122598 340186040 /nfs/dbraw/zinc/18/60/40/340186040.db2.gz MZFQPRUIDPMPMA-UHFFFAOYSA-N 1 0 317.392 4.154 20 30 DIEDRO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccc(C#N)o2)cc1 ZINC000506129423 340186343 /nfs/dbraw/zinc/18/63/43/340186343.db2.gz XNQVXSFPBWIDSE-LJQANCHMSA-N 1 0 310.397 4.277 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)s1 ZINC000506596865 340197387 /nfs/dbraw/zinc/19/73/87/340197387.db2.gz VVIKPJFHYUOGEV-UHFFFAOYSA-N 1 0 302.830 4.438 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)Cc2cccc3[nH]ccc32)cc1 ZINC000506748040 340200866 /nfs/dbraw/zinc/20/08/66/340200866.db2.gz QJDIMPBJTUHMRO-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(C#N)s1 ZINC000507143619 340209541 /nfs/dbraw/zinc/20/95/41/340209541.db2.gz NPHLQUPRHFUXIT-GOSISDBHSA-N 1 0 312.438 4.138 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)cc1F ZINC000507146482 340209662 /nfs/dbraw/zinc/20/96/62/340209662.db2.gz XERAPFOUJUINEG-FQEVSTJZSA-N 1 0 324.399 4.215 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000507178907 340211480 /nfs/dbraw/zinc/21/14/80/340211480.db2.gz FZWVHIINHAEJQH-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO CC(C)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000507221856 340214506 /nfs/dbraw/zinc/21/45/06/340214506.db2.gz OXVDAQXQFMJZPO-UHFFFAOYSA-N 1 0 323.396 4.222 20 30 DIEDRO CC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000507235123 340215038 /nfs/dbraw/zinc/21/50/38/340215038.db2.gz ZEMYLLWJHGXCCF-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO CC[N@H+](Cc1cc(OC)ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000507332286 340217456 /nfs/dbraw/zinc/21/74/56/340217456.db2.gz HXWWUFRQNUUSDR-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO CC(C)C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(C#N)cc1 ZINC000507718365 340229452 /nfs/dbraw/zinc/22/94/52/340229452.db2.gz NNESPAIBPUSJFY-UHFFFAOYSA-N 1 0 309.438 4.150 20 30 DIEDRO COCc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000507725183 340229580 /nfs/dbraw/zinc/22/95/80/340229580.db2.gz LNVSMLSXKHEQIM-UHFFFAOYSA-N 1 0 322.452 4.363 20 30 DIEDRO C[C@@H](c1ccccc1F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507848647 340234077 /nfs/dbraw/zinc/23/40/77/340234077.db2.gz WJDFHECDVTZMFW-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO C=CCOc1ccc(C[N@H+]([C@H](C)C2CC2)C2CC2)cc1OC ZINC000508021945 340237565 /nfs/dbraw/zinc/23/75/65/340237565.db2.gz QEOHHNLJQOYIPX-CQSZACIVSA-N 1 0 301.430 4.023 20 30 DIEDRO C=C(C)CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000509280806 340265259 /nfs/dbraw/zinc/26/52/59/340265259.db2.gz WWXHSRKMBDSDPY-UHFFFAOYSA-N 1 0 315.436 4.057 20 30 DIEDRO C=C(C)CC[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC000509374690 340267720 /nfs/dbraw/zinc/26/77/20/340267720.db2.gz SSYHUXFJBHDLRR-ZSXDVEMLSA-N 1 0 320.521 4.137 20 30 DIEDRO CC[N@@H+](C[C@H](C)c1cccc(Br)c1)C[C@H](C)C#N ZINC000509776202 340278775 /nfs/dbraw/zinc/27/87/75/340278775.db2.gz XRUQGLXOIMOPGY-OLZOCXBDSA-N 1 0 309.251 4.034 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510649491 340304986 /nfs/dbraw/zinc/30/49/86/340304986.db2.gz ILKJXONKFMBDSG-CRAIPNDOSA-N 1 0 320.477 4.299 20 30 DIEDRO Cc1cc(OCCC[C@H](C)[NH2+]CCCCC#N)ccc1Cl ZINC000510689988 340307026 /nfs/dbraw/zinc/30/70/26/340307026.db2.gz YMJZACDFFKWMBP-HNNXBMFYSA-N 1 0 308.853 4.479 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000510717320 340307853 /nfs/dbraw/zinc/30/78/53/340307853.db2.gz QXXKGLYBXABXER-GUMHCPJTSA-N 1 0 324.468 4.417 20 30 DIEDRO C=CCC[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510770947 340310445 /nfs/dbraw/zinc/31/04/45/340310445.db2.gz RCCIKVUFURIILP-MRXNPFEDSA-N 1 0 317.477 4.338 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000511837142 340339613 /nfs/dbraw/zinc/33/96/13/340339613.db2.gz CMXUVWHIYFHCSO-PWRODBHTSA-N 1 0 302.421 4.326 20 30 DIEDRO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2F)C(C)C)s1 ZINC000511841133 340340004 /nfs/dbraw/zinc/34/00/04/340340004.db2.gz GGUISMAHIQLIRM-UHFFFAOYSA-N 1 0 302.418 4.478 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(C)c1 ZINC000512055145 340346975 /nfs/dbraw/zinc/34/69/75/340346975.db2.gz XJZIKFPSVWSBBI-UHFFFAOYSA-N 1 0 306.409 4.064 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1ccccc1Cl ZINC000512209732 340352352 /nfs/dbraw/zinc/35/23/52/340352352.db2.gz BWOKODOIKSXQIA-UHFFFAOYSA-N 1 0 305.805 4.004 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512279831 340355253 /nfs/dbraw/zinc/35/52/53/340355253.db2.gz NHZXMUJEVNKPDE-NRXGSXMXSA-N 1 0 318.436 4.332 20 30 DIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2cc[nH]c21 ZINC000512379199 340359437 /nfs/dbraw/zinc/35/94/37/340359437.db2.gz FHNPPFCPQOYECI-UHFFFAOYSA-N 1 0 321.380 4.264 20 30 DIEDRO CCOc1ccccc1C1=CCN(Cc2ccc(C#N)s2)CC1 ZINC000512384092 340359718 /nfs/dbraw/zinc/35/97/18/340359718.db2.gz KGUZJNONCAVILH-UHFFFAOYSA-N 1 0 324.449 4.308 20 30 DIEDRO C[C@@H](c1cc(F)ccc1F)N(C)Cc1cccc(C#N)c1F ZINC000512402823 340360810 /nfs/dbraw/zinc/36/08/10/340360810.db2.gz HZVQOWHPPFHZNZ-NSHDSACASA-N 1 0 304.315 4.169 20 30 DIEDRO COc1ccc([C@H]2CCCN2Cc2cccc(C#N)c2F)cc1 ZINC000512445081 340362084 /nfs/dbraw/zinc/36/20/84/340362084.db2.gz WBTIJWBDUWVGJP-GOSISDBHSA-N 1 0 310.372 4.043 20 30 DIEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000512449007 340362348 /nfs/dbraw/zinc/36/23/48/340362348.db2.gz ANIGDTQODJPIJV-FUHWJXTLSA-N 1 0 314.473 4.003 20 30 DIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccccc1F ZINC000512506218 340364596 /nfs/dbraw/zinc/36/45/96/340364596.db2.gz ISTCFISMXHLPJD-UHFFFAOYSA-N 1 0 301.409 4.181 20 30 DIEDRO C=C(C)C[N@@H+](CCCC1CCOCC1)Cc1cnn(C(C)C)c1 ZINC000512505829 340364608 /nfs/dbraw/zinc/36/46/08/340364608.db2.gz CLAPNTPVKAAVKP-UHFFFAOYSA-N 1 0 319.493 4.049 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(F)cc2Cl)cc1 ZINC000512560698 340367046 /nfs/dbraw/zinc/36/70/46/340367046.db2.gz GDZDHYOQXIIVTM-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(C#N)cc1F ZINC000512612948 340369008 /nfs/dbraw/zinc/36/90/08/340369008.db2.gz QPUFPJRAKQRWGB-NSHDSACASA-N 1 0 320.770 4.383 20 30 DIEDRO Cc1cccc(OC[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512642914 340370694 /nfs/dbraw/zinc/37/06/94/340370694.db2.gz UFOYFIHDZBHQHI-LSDHHAIUSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1F ZINC000512650136 340371005 /nfs/dbraw/zinc/37/10/05/340371005.db2.gz XKKANJRZNBVKNW-ZBFHGGJFSA-N 1 0 316.420 4.230 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512653721 340371192 /nfs/dbraw/zinc/37/11/92/340371192.db2.gz GOPIKRJKCMDTQJ-CHWSQXEVSA-N 1 0 300.352 4.291 20 30 DIEDRO C[C@@H](NCCC[N@H+](C)C1CCCCC1)c1ccc(C#N)cc1F ZINC000512664912 340371823 /nfs/dbraw/zinc/37/18/23/340371823.db2.gz CAYZFAILXRDPKY-OAHLLOKOSA-N 1 0 317.452 4.003 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000512665016 340371877 /nfs/dbraw/zinc/37/18/77/340371877.db2.gz CTAWCTHDFUHLFP-PNHOKKKMSA-N 1 0 324.399 4.268 20 30 DIEDRO CC(C)(C)c1ccc(OCC[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000512808673 340378752 /nfs/dbraw/zinc/37/87/52/340378752.db2.gz DOHUWGZVJBEKDO-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO C=CCCCCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512824288 340379357 /nfs/dbraw/zinc/37/93/57/340379357.db2.gz QHQSVWDKDGJJCM-UHFFFAOYSA-N 1 0 316.420 4.287 20 30 DIEDRO CC1(C)CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513659654 340417765 /nfs/dbraw/zinc/41/77/65/340417765.db2.gz CZLKJHYMMNYAKN-LJQANCHMSA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCCC[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000513671530 340418593 /nfs/dbraw/zinc/41/85/93/340418593.db2.gz JYPCOUFKWVXYHN-MRXNPFEDSA-N 1 0 302.462 4.003 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000177906509 340445296 /nfs/dbraw/zinc/44/52/96/340445296.db2.gz ICTVPZYJBCACPG-GFCCVEGCSA-N 1 0 313.272 4.294 20 30 DIEDRO CC[C@@]1(C[NH2+][C@H](C)c2cccc(C#N)c2)OCCc2ccccc21 ZINC000517442564 340469890 /nfs/dbraw/zinc/46/98/90/340469890.db2.gz UVHGFSXRIHYDHA-IERDGZPVSA-N 1 0 320.436 4.087 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185818641 340505605 /nfs/dbraw/zinc/50/56/05/340505605.db2.gz LCLLTAJPDQUCDQ-IVMMDQJWSA-N 1 0 310.363 4.308 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000522627549 340605961 /nfs/dbraw/zinc/60/59/61/340605961.db2.gz MKBXBUCZWDWVAD-LPHOPBHVSA-N 1 0 308.425 4.229 20 30 DIEDRO C=CC1CC[NH+](Cc2c3ccccc3sc2C(=O)OC)CC1 ZINC000523606805 340629687 /nfs/dbraw/zinc/62/96/87/340629687.db2.gz WJQRGZHKVSAXFH-UHFFFAOYSA-N 1 0 315.438 4.086 20 30 DIEDRO Cc1ccc([C@H](CNc2ccc(Cl)cc2C#N)[NH+](C)C)cc1 ZINC000303206845 340633734 /nfs/dbraw/zinc/63/37/34/340633734.db2.gz NLHCPKOCEUPIFV-SFHVURJKSA-N 1 0 313.832 4.235 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000236704667 340664050 /nfs/dbraw/zinc/66/40/50/340664050.db2.gz VQKQGBZGTHTKAM-QGZVFWFLSA-N 1 0 322.452 4.456 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCC3CCCCC3)CCOCC2)cc1 ZINC000528779956 340734081 /nfs/dbraw/zinc/73/40/81/340734081.db2.gz ZRHVQHIRMYLMPE-UHFFFAOYSA-N 1 0 312.457 4.124 20 30 DIEDRO C=C(C)C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000538141013 340811100 /nfs/dbraw/zinc/81/11/00/340811100.db2.gz HIEREWHFVIANCH-HXUWFJFHSA-N 1 0 311.425 4.153 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000538258461 340815208 /nfs/dbraw/zinc/81/52/08/340815208.db2.gz YXDIPWGPMVPSRI-FXAWDEMLSA-N 1 0 313.416 4.026 20 30 DIEDRO CCc1cccc2c(CC[NH2+][C@H](C)c3cccc(C#N)c3)c[nH]c21 ZINC000538396467 340820946 /nfs/dbraw/zinc/82/09/46/340820946.db2.gz VIYDPQQLHJIKKK-OAHLLOKOSA-N 1 0 317.436 4.495 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000538410270 340821901 /nfs/dbraw/zinc/82/19/01/340821901.db2.gz KUXRHZQOCIRNJY-MNOVXSKESA-N 1 0 302.365 4.078 20 30 DIEDRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538508214 340829607 /nfs/dbraw/zinc/82/96/07/340829607.db2.gz CCPUQLLHSVPEBV-UHOFOFEASA-N 1 0 306.450 4.412 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CCC(C)(C)C#N)ccc1OC(C)C ZINC000538513079 340830210 /nfs/dbraw/zinc/83/02/10/340830210.db2.gz TXZPPFNGBGKIFT-AWEZNQCLSA-N 1 0 304.434 4.073 20 30 DIEDRO CC(C)(C#N)CC[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000538512372 340830228 /nfs/dbraw/zinc/83/02/28/340830228.db2.gz MVUNQLSSBQUODW-FQEVSTJZSA-N 1 0 322.452 4.474 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Oc1ccccc1Cl ZINC000539506480 340888241 /nfs/dbraw/zinc/88/82/41/340888241.db2.gz IRKNYMDRPIVRDH-KBPBESRZSA-N 1 0 314.816 4.330 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000539509563 340888654 /nfs/dbraw/zinc/88/86/54/340888654.db2.gz XBAUAFIPOOQYLU-ZIAGYGMSSA-N 1 0 304.434 4.049 20 30 DIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539609095 340892517 /nfs/dbraw/zinc/89/25/17/340892517.db2.gz DQESXBSBIHRNCH-ZDUSSCGKSA-N 1 0 312.363 4.219 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1F ZINC000540168184 340919923 /nfs/dbraw/zinc/91/99/23/340919923.db2.gz CUIFIKGMGHGDRG-AWEZNQCLSA-N 1 0 314.429 4.281 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1F ZINC000540342764 340927754 /nfs/dbraw/zinc/92/77/54/340927754.db2.gz GGRVTBKUCWBARZ-CYBMUJFWSA-N 1 0 317.791 4.190 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000540595140 340937407 /nfs/dbraw/zinc/93/74/07/340937407.db2.gz OBWGOGUNNIXECO-CZAAIQMYSA-N 1 0 320.436 4.438 20 30 DIEDRO CCc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000540597345 340937810 /nfs/dbraw/zinc/93/78/10/340937810.db2.gz MJAVBIIDJSBAEC-IIBYNOLFSA-N 1 0 321.468 4.074 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000540604940 340938126 /nfs/dbraw/zinc/93/81/26/340938126.db2.gz DTDDQAXYWSQQJL-LPMFXHHGSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1cccc(C#N)c1 ZINC000540605199 340938191 /nfs/dbraw/zinc/93/81/91/340938191.db2.gz FCXMXMRHHVGSFS-ZDUSSCGKSA-N 1 0 312.363 4.219 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000540606781 340938304 /nfs/dbraw/zinc/93/83/04/340938304.db2.gz PAWIQAMBTKISIM-UJKGCTCZSA-N 1 0 306.409 4.162 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)c1ccc(C#N)cc1 ZINC000541153185 340960176 /nfs/dbraw/zinc/96/01/76/340960176.db2.gz GKWVCVVBGINCLL-LSDHHAIUSA-N 1 0 318.424 4.106 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000541626862 340978343 /nfs/dbraw/zinc/97/83/43/340978343.db2.gz FNNKRCRARYZTCO-PXNSSMCTSA-N 1 0 309.453 4.124 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000541630012 340978532 /nfs/dbraw/zinc/97/85/32/340978532.db2.gz SRSNMAUVHGYCHZ-CQSZACIVSA-N 1 0 320.845 4.393 20 30 DIEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000541759011 340982833 /nfs/dbraw/zinc/98/28/33/340982833.db2.gz HNNLJGGUVPIKAH-QGZVFWFLSA-N 1 0 308.425 4.262 20 30 DIEDRO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(CC#N)CC1 ZINC000541948205 340990866 /nfs/dbraw/zinc/99/08/66/340990866.db2.gz HVJPXFDOMWGWQF-LBPRGKRZSA-N 1 0 307.235 4.136 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCc3cccc(F)c3F)CC2)cc1 ZINC000542266742 341002577 /nfs/dbraw/zinc/00/25/77/341002577.db2.gz ATETXLYECLEFSE-UHFFFAOYSA-N 1 0 324.374 4.168 20 30 DIEDRO COc1ccc(Oc2ccc(CN(C)C[C@@H](C)C#N)cc2)cc1 ZINC000542464783 341008246 /nfs/dbraw/zinc/00/82/46/341008246.db2.gz PHICTIRWGCFCNZ-HNNXBMFYSA-N 1 0 310.397 4.079 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000130268516 341010967 /nfs/dbraw/zinc/01/09/67/341010967.db2.gz UPOZMGGBQDXDLO-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000130393902 341020767 /nfs/dbraw/zinc/02/07/67/341020767.db2.gz BIQXGOJEDYOEJE-FQEVSTJZSA-N 1 0 316.408 4.007 20 30 DIEDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033907 341028918 /nfs/dbraw/zinc/02/89/18/341028918.db2.gz RWVKBZGARFZCBS-MGPUTAFESA-N 1 0 308.425 4.301 20 30 DIEDRO N#CCc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000543135547 341033542 /nfs/dbraw/zinc/03/35/42/341033542.db2.gz SEMSNYBFCAQFKN-UHFFFAOYSA-N 1 0 308.400 4.451 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000543208044 341036946 /nfs/dbraw/zinc/03/69/46/341036946.db2.gz KCSRTBIGSJQBHX-LEWJYISDSA-N 1 0 315.420 4.024 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(-c2ccccn2)c1 ZINC000130773002 341042439 /nfs/dbraw/zinc/04/24/39/341042439.db2.gz GRNJGSZHUKURPM-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO COc1ccc([C@H](C)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543413535 341043016 /nfs/dbraw/zinc/04/30/16/341043016.db2.gz RTXPFMVOCRLVRH-MRXNPFEDSA-N 1 0 320.436 4.335 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC(C)(C)CCC#N)c1 ZINC000543412973 341043083 /nfs/dbraw/zinc/04/30/83/341043083.db2.gz RZDBTWQZCQZEHP-YJBOKZPZSA-N 1 0 300.446 4.408 20 30 DIEDRO N#CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000543426954 341044028 /nfs/dbraw/zinc/04/40/28/341044028.db2.gz AXICWIDXOWVTPR-QGZVFWFLSA-N 1 0 302.780 4.462 20 30 DIEDRO CCOc1cccc2cc([C@H](C)[NH2+]CCC(C)(C)C#N)oc21 ZINC000543518800 341048330 /nfs/dbraw/zinc/04/83/30/341048330.db2.gz ZTAYVIDQICWYTK-ZDUSSCGKSA-N 1 0 300.402 4.422 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000543603770 341050959 /nfs/dbraw/zinc/05/09/59/341050959.db2.gz WPOBXUIYVPCSPB-JTQLQIEISA-N 1 0 322.758 4.077 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543632124 341052166 /nfs/dbraw/zinc/05/21/66/341052166.db2.gz MTDNVJRHVUUPPO-JCKWVBRZSA-N 1 0 324.871 4.416 20 30 DIEDRO N#CCC1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000543791836 341058963 /nfs/dbraw/zinc/05/89/63/341058963.db2.gz NAPXYVVYOOUXJX-UHFFFAOYSA-N 1 0 319.330 4.384 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873787 341062137 /nfs/dbraw/zinc/06/21/37/341062137.db2.gz HTNLXTQKDVGWIU-KKSFZXQISA-N 1 0 320.436 4.445 20 30 DIEDRO C[C@H]([NH2+]CCOCC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543874139 341062188 /nfs/dbraw/zinc/06/21/88/341062188.db2.gz YPIREJNKGNFZJG-INIZCTEOSA-N 1 0 320.436 4.302 20 30 DIEDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000544069445 341069138 /nfs/dbraw/zinc/06/91/38/341069138.db2.gz UFDDKGIACCLFAY-UHFFFAOYSA-N 1 0 322.452 4.181 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(C#N)cc1F ZINC000544386285 341079656 /nfs/dbraw/zinc/07/96/56/341079656.db2.gz LFGUZJUXSCPSJK-SNVBAGLBSA-N 1 0 322.305 4.008 20 30 DIEDRO C=CCSCC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000544385925 341079715 /nfs/dbraw/zinc/07/97/15/341079715.db2.gz JQTSTNSSGLVIJT-GOSISDBHSA-N 1 0 316.445 4.127 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000544575910 341086802 /nfs/dbraw/zinc/08/68/02/341086802.db2.gz IKNMDHBTZTUJJC-QFBILLFUSA-N 1 0 308.425 4.311 20 30 DIEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)cc3)CCCC2)cc1 ZINC000131888443 341113199 /nfs/dbraw/zinc/11/31/99/341113199.db2.gz HMEWOIGCPJSRLF-UHFFFAOYSA-N 1 0 306.409 4.126 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc2c(c1)CCCC2 ZINC000545520501 341128446 /nfs/dbraw/zinc/12/84/46/341128446.db2.gz KSFVAGPAHFPBKM-AWEZNQCLSA-N 1 0 308.400 4.427 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000074336154 341144148 /nfs/dbraw/zinc/14/41/48/341144148.db2.gz NOXAXYIUHJGCNQ-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000545978972 341149268 /nfs/dbraw/zinc/14/92/68/341149268.db2.gz XEONUQKTTVLSSZ-WWGRRREGSA-N 1 0 314.256 4.156 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000545978465 341149298 /nfs/dbraw/zinc/14/92/98/341149298.db2.gz VHPDAPJHDOOVMY-OLZOCXBDSA-N 1 0 305.418 4.142 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000545978467 341149358 /nfs/dbraw/zinc/14/93/58/341149358.db2.gz VHPDAPJHDOOVMY-STQMWFEESA-N 1 0 305.418 4.142 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CCC1 ZINC000546224193 341157700 /nfs/dbraw/zinc/15/77/00/341157700.db2.gz PACOBDWTUWQWMN-MRXNPFEDSA-N 1 0 320.436 4.339 20 30 DIEDRO CC[N@H+](CCCSCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000074982180 341158684 /nfs/dbraw/zinc/15/86/84/341158684.db2.gz XVOFOSGQRUTDSR-CQSZACIVSA-N 1 0 302.443 4.463 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)O)c1ccc(C(F)(F)F)cc1 ZINC000546611800 341174738 /nfs/dbraw/zinc/17/47/38/341174738.db2.gz CQHSJPFAIOTNBA-OAHLLOKOSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000564307069 341177912 /nfs/dbraw/zinc/17/79/12/341177912.db2.gz TUKUXGRHMPCEPH-NEPJUHHUSA-N 1 0 305.809 4.395 20 30 DIEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000547375312 341209806 /nfs/dbraw/zinc/20/98/06/341209806.db2.gz QTEFAOZCQYHHMH-AWEZNQCLSA-N 1 0 307.846 4.095 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000076733826 341213212 /nfs/dbraw/zinc/21/32/12/341213212.db2.gz ZWCOQHIOLMUCIT-AWEZNQCLSA-N 1 0 308.853 4.182 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000076737230 341213372 /nfs/dbraw/zinc/21/33/72/341213372.db2.gz OBRJXYLVJBJDCI-NSHDSACASA-N 1 0 315.244 4.218 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000076767087 341213685 /nfs/dbraw/zinc/21/36/85/341213685.db2.gz CWHKNHBCELZMCX-UGSOOPFHSA-N 1 0 314.816 4.077 20 30 DIEDRO N#Cc1csc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)c1 ZINC000237700308 341218491 /nfs/dbraw/zinc/21/84/91/341218491.db2.gz RSUQVVLRGHOYIO-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO CS[C@H]1CCCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000134592453 341219271 /nfs/dbraw/zinc/21/92/71/341219271.db2.gz WNWLZLYLHOVSSW-INIZCTEOSA-N 1 0 302.487 4.205 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000135177710 341232890 /nfs/dbraw/zinc/23/28/90/341232890.db2.gz DOOFSXPNQHYIPY-LJQANCHMSA-N 1 0 319.452 4.174 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000135680653 341243985 /nfs/dbraw/zinc/24/39/85/341243985.db2.gz YZBHZWAEEQBAAQ-ZDUSSCGKSA-N 1 0 300.427 4.258 20 30 DIEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000135682651 341244038 /nfs/dbraw/zinc/24/40/38/341244038.db2.gz JSPFFKKBWGKTKF-OAHLLOKOSA-N 1 0 300.427 4.325 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000135711893 341244700 /nfs/dbraw/zinc/24/47/00/341244700.db2.gz NTNMKBYLQQZKKZ-VXGBXAGGSA-N 1 0 312.251 4.463 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000079065005 341252980 /nfs/dbraw/zinc/25/29/80/341252980.db2.gz NNKBLLMKTBPXJS-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000548488189 341263556 /nfs/dbraw/zinc/26/35/56/341263556.db2.gz YNRWPVCWHQATGA-DOTOQJQBSA-N 1 0 324.428 4.057 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000136732586 341266156 /nfs/dbraw/zinc/26/61/56/341266156.db2.gz AVPHGYNQAIUGGE-SFHVURJKSA-N 1 0 315.457 4.223 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000136747298 341266371 /nfs/dbraw/zinc/26/63/71/341266371.db2.gz CCRRJGXGBSPIFQ-SFHVURJKSA-N 1 0 315.457 4.223 20 30 DIEDRO N#CCSCCC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000080632856 341274304 /nfs/dbraw/zinc/27/43/04/341274304.db2.gz VPUAVPYNJQADRU-UHFFFAOYSA-N 1 0 302.487 4.121 20 30 DIEDRO C=CCCCN(C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000549137124 341286659 /nfs/dbraw/zinc/28/66/59/341286659.db2.gz KTUIJBVMNHFIEF-LBPRGKRZSA-N 1 0 305.422 4.303 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549233351 341289260 /nfs/dbraw/zinc/28/92/60/341289260.db2.gz UTAWYQKISVYWAA-XPGWFJOJSA-N 1 0 302.421 4.329 20 30 DIEDRO N#CCCOCC[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000549527567 341296380 /nfs/dbraw/zinc/29/63/80/341296380.db2.gz SEGWBWVXBWNLMP-UHFFFAOYSA-N 1 0 306.837 4.019 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000549527941 341296424 /nfs/dbraw/zinc/29/64/24/341296424.db2.gz YNHKDIPNYYDUKC-RDJZCZTQSA-N 1 0 305.425 4.258 20 30 DIEDRO CC(C)(C)C1CC([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000549859762 341305202 /nfs/dbraw/zinc/30/52/02/341305202.db2.gz MKFGJSOLVCCTNN-UHFFFAOYSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCOCC[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000549866102 341305525 /nfs/dbraw/zinc/30/55/25/341305525.db2.gz MGNQSEPBVRPOAF-HNNXBMFYSA-N 1 0 316.470 4.314 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000550225387 341312870 /nfs/dbraw/zinc/31/28/70/341312870.db2.gz FMQNNRKKTKPRMR-UHFFFAOYSA-N 1 0 310.441 4.353 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000550855685 341324564 /nfs/dbraw/zinc/32/45/64/341324564.db2.gz CKOPYCTUUIAXNH-GFCCVEGCSA-N 1 0 305.853 4.480 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000550883364 341325487 /nfs/dbraw/zinc/32/54/87/341325487.db2.gz ZAQJLXXDEFMDTA-CQSZACIVSA-N 1 0 300.368 4.367 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000551241839 341335213 /nfs/dbraw/zinc/33/52/13/341335213.db2.gz WLCWUTMJPIOGCX-CRAIPNDOSA-N 1 0 305.437 4.485 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)ccc1C#N ZINC000551580308 341346403 /nfs/dbraw/zinc/34/64/03/341346403.db2.gz CKTIADJGNBMCBZ-UHFFFAOYSA-N 1 0 320.436 4.478 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)c(F)c1 ZINC000551660248 341348312 /nfs/dbraw/zinc/34/83/12/341348312.db2.gz ULLBAMRAQFWPCW-MRXNPFEDSA-N 1 0 306.381 4.385 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246445564 341349047 /nfs/dbraw/zinc/34/90/47/341349047.db2.gz BOWMKTOZKKBFEP-OXQOHEQNSA-N 1 0 305.425 4.196 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551811347 341352531 /nfs/dbraw/zinc/35/25/31/341352531.db2.gz JWGNNZOYYYKSCK-HNNXBMFYSA-N 1 0 322.477 4.490 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCC2 ZINC000551813243 341352625 /nfs/dbraw/zinc/35/26/25/341352625.db2.gz PPINNRMLVSKXII-HNNXBMFYSA-N 1 0 302.421 4.387 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551825369 341353192 /nfs/dbraw/zinc/35/31/92/341353192.db2.gz FQJRHRQJPAILDD-UHFFFAOYSA-N 1 0 313.363 4.416 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(NC(=O)CC)c1)c1ccco1 ZINC000552040521 341364095 /nfs/dbraw/zinc/36/40/95/341364095.db2.gz VSVZWKDNYJXZQC-QGZVFWFLSA-N 1 0 312.413 4.425 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(NC(=O)CC)c1)c1ccco1 ZINC000552040520 341364160 /nfs/dbraw/zinc/36/41/60/341364160.db2.gz VSVZWKDNYJXZQC-KRWDZBQOSA-N 1 0 312.413 4.425 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccc(OC)cc1OC)c1ccco1 ZINC000552047530 341364906 /nfs/dbraw/zinc/36/49/06/341364906.db2.gz POZAICWXMURLLS-KRWDZBQOSA-N 1 0 315.413 4.136 20 30 DIEDRO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccc(C#N)cc1Cl ZINC000552097819 341369645 /nfs/dbraw/zinc/36/96/45/341369645.db2.gz NWKPURYQWXEWKE-SECBINFHSA-N 1 0 302.727 4.205 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000552240084 341380481 /nfs/dbraw/zinc/38/04/81/341380481.db2.gz SXXMYTVIJDPINX-KRWDZBQOSA-N 1 0 319.452 4.186 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)C1 ZINC000248724354 341385205 /nfs/dbraw/zinc/38/52/05/341385205.db2.gz CQCDATVMXDNPSC-YVWKXTFCSA-N 1 0 312.457 4.143 20 30 DIEDRO N#Cc1ccc(CN2CC3(CCC3)[C@H]2c2ccccc2)c(F)c1 ZINC000552315088 341385908 /nfs/dbraw/zinc/38/59/08/341385908.db2.gz CSLOGWPTHVWNMR-LJQANCHMSA-N 1 0 306.384 4.425 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3ccc(OC)cc32)cc1 ZINC000552319842 341386107 /nfs/dbraw/zinc/38/61/07/341386107.db2.gz QRJHYWYJCIEYKG-NRFANRHFSA-N 1 0 323.436 4.427 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248809031 341387346 /nfs/dbraw/zinc/38/73/46/341387346.db2.gz KJXGEZQNHBNXNU-NFAWXSAZSA-N 1 0 310.363 4.308 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248817902 341387497 /nfs/dbraw/zinc/38/74/97/341387497.db2.gz LCLLTAJPDQUCDQ-XPKDYRNWSA-N 1 0 310.363 4.308 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCC[C@@H](C#N)C3)c(C)c2c1 ZINC000248832681 341388023 /nfs/dbraw/zinc/38/80/23/341388023.db2.gz MRRYDJDYHSRDCG-RRFJBIMHSA-N 1 0 312.413 4.483 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000248831201 341388061 /nfs/dbraw/zinc/38/80/61/341388061.db2.gz MNOIUJDFCRKTQZ-RYGJVYDSSA-N 1 0 306.409 4.129 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248994715 341391470 /nfs/dbraw/zinc/39/14/70/341391470.db2.gz ONUBLTSBJQUGHP-XJKCOSOUSA-N 1 0 304.821 4.226 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000249059193 341392942 /nfs/dbraw/zinc/39/29/42/341392942.db2.gz ZLNCFWJXJNXBPD-XPKDYRNWSA-N 1 0 304.821 4.226 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000552586427 341399826 /nfs/dbraw/zinc/39/98/26/341399826.db2.gz HAFGKANXQKUYOP-GOSISDBHSA-N 1 0 308.400 4.152 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000552756377 341403539 /nfs/dbraw/zinc/40/35/39/341403539.db2.gz HJOYVYZWYYAWHL-CVEARBPZSA-N 1 0 323.502 4.266 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000552757107 341403550 /nfs/dbraw/zinc/40/35/50/341403550.db2.gz XCOGXQBYGURNAF-CABCVRRESA-N 1 0 300.446 4.357 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccccn1 ZINC000091412040 341425989 /nfs/dbraw/zinc/42/59/89/341425989.db2.gz AMRNNBSPZICUPK-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739185 341428066 /nfs/dbraw/zinc/42/80/66/341428066.db2.gz VWYUOTBONOSZRK-KBPBESRZSA-N 1 0 302.393 4.214 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739182 341428078 /nfs/dbraw/zinc/42/80/78/341428078.db2.gz VWYUOTBONOSZRK-UONOGXRCSA-N 1 0 302.393 4.214 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000091739551 341428111 /nfs/dbraw/zinc/42/81/11/341428111.db2.gz IAKUMRHPOQNXMO-GOSISDBHSA-N 1 0 314.404 4.358 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000554366383 341451562 /nfs/dbraw/zinc/45/15/62/341451562.db2.gz MNACNYIHIRGQBI-ZTFGCOKTSA-N 1 0 300.446 4.107 20 30 DIEDRO C=CCCC[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000556096049 341494094 /nfs/dbraw/zinc/49/40/94/341494094.db2.gz MLHWFAVMSXWFLQ-UHFFFAOYSA-N 1 0 302.443 4.086 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000556218148 341497706 /nfs/dbraw/zinc/49/77/06/341497706.db2.gz QDRJXNVNQRMZQZ-MRXNPFEDSA-N 1 0 302.418 4.422 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000153012332 341518532 /nfs/dbraw/zinc/51/85/32/341518532.db2.gz XDUAIVJYRDFJSA-UXHICEINSA-N 1 0 316.464 4.092 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(Cl)c2Cl)ccc1C#N ZINC000566048116 341546445 /nfs/dbraw/zinc/54/64/45/341546445.db2.gz DYWAJUQMRREZEC-UHFFFAOYSA-N 1 0 305.208 4.463 20 30 DIEDRO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000155173601 341603055 /nfs/dbraw/zinc/60/30/55/341603055.db2.gz BXKIPAGPGKTUOG-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271432065 341622536 /nfs/dbraw/zinc/62/25/36/341622536.db2.gz DTZYGIXNQAWIOB-LSDHHAIUSA-N 1 0 310.397 4.009 20 30 DIEDRO CC#CCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000156548210 341622728 /nfs/dbraw/zinc/62/27/28/341622728.db2.gz NWCWYENCZYVWCB-UHFFFAOYSA-N 1 0 302.805 4.074 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000158055625 341650662 /nfs/dbraw/zinc/65/06/62/341650662.db2.gz SHWXBZUYBDFLDB-VHFSOBRXSA-N 1 0 324.399 4.268 20 30 DIEDRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)CCCO2 ZINC000568748207 341680223 /nfs/dbraw/zinc/68/02/23/341680223.db2.gz BJQXRMOBLGDVLD-HXUWFJFHSA-N 1 0 320.436 4.373 20 30 DIEDRO CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000572710187 341701541 /nfs/dbraw/zinc/70/15/41/341701541.db2.gz HPXAIKWXIJOPOW-OAHLLOKOSA-N 1 0 308.425 4.370 20 30 DIEDRO C=CCSCC[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000574368779 341756591 /nfs/dbraw/zinc/75/65/91/341756591.db2.gz RVMFPLCNSFXDJR-QBFSEMIESA-N 1 0 313.413 4.200 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000175978194 341854791 /nfs/dbraw/zinc/85/47/91/341854791.db2.gz QUPPMICMHOIEJX-GTNSWQLSSA-N 1 0 300.402 4.172 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)ccc1C#N ZINC000576910997 341869183 /nfs/dbraw/zinc/86/91/83/341869183.db2.gz IEWJAXRMUAGPCX-UHFFFAOYSA-N 1 0 308.425 4.154 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(Br)cc1F ZINC000577096340 341885460 /nfs/dbraw/zinc/88/54/60/341885460.db2.gz AHVOXFMJXOYUDO-SNVBAGLBSA-N 1 0 313.214 4.179 20 30 DIEDRO CC[C@@H](C[NH2+]CC(C)(C)CCC#N)Oc1ccccc1Cl ZINC000176991133 341909738 /nfs/dbraw/zinc/90/97/38/341909738.db2.gz XIKFSUKIJUYZQA-AWEZNQCLSA-N 1 0 308.853 4.417 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000178176715 341948837 /nfs/dbraw/zinc/94/88/37/341948837.db2.gz BAICJVWNHMUQMN-HOTGVXAUSA-N 1 0 308.425 4.239 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1C#N ZINC000488135836 518187147 /nfs/dbraw/zinc/18/71/47/518187147.db2.gz HESBRTOEHMCSDL-RXVVDRJESA-N 1 0 320.436 4.124 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000353913997 518196289 /nfs/dbraw/zinc/19/62/89/518196289.db2.gz JTKBKEGILCWMFE-INIZCTEOSA-N 1 0 304.397 4.088 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000266173740 519321592 /nfs/dbraw/zinc/32/15/92/519321592.db2.gz DEGHEWBOBWZOKF-UHFFFAOYSA-N 1 0 308.303 4.195 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1F ZINC000191581671 519820889 /nfs/dbraw/zinc/82/08/89/519820889.db2.gz ABQYNIBPQWLYDW-KRWDZBQOSA-N 1 0 319.811 4.176 20 30 DIEDRO CCCOCc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181530239 520261019 /nfs/dbraw/zinc/26/10/19/520261019.db2.gz MCJMBYXRYGYFOQ-INIZCTEOSA-N 1 0 308.425 4.336 20 30 DIEDRO CCC(CC)[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000181270479 521625489 /nfs/dbraw/zinc/62/54/89/521625489.db2.gz DMPTWRFWMAQZEA-GDIGMMSISA-N 1 0 300.446 4.193 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000182741666 522036376 /nfs/dbraw/zinc/03/63/76/522036376.db2.gz YOWUJDVEWZEKCB-GFCCVEGCSA-N 1 0 300.427 4.096 20 30 DIEDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546140 522403304 /nfs/dbraw/zinc/40/33/04/522403304.db2.gz RNHLXMAPBJJPOZ-RHSMWYFYSA-N 1 0 324.428 4.009 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)s1)CCC2 ZINC000180031615 522472466 /nfs/dbraw/zinc/47/24/66/522472466.db2.gz ASOQUVAXJUOXQA-AWEZNQCLSA-N 1 0 317.483 4.148 20 30 DIEDRO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000154332741 522480930 /nfs/dbraw/zinc/48/09/30/522480930.db2.gz FHOXWCJDJVIPPE-SWLSCSKDSA-N 1 0 311.454 4.305 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(F)cc1F ZINC000174416214 522650082 /nfs/dbraw/zinc/65/00/82/522650082.db2.gz NTHQEFHLGDZTAR-KRWDZBQOSA-N 1 0 316.351 4.086 20 30 DIEDRO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)c2cccc(C#N)c2)o1 ZINC000190035704 523023060 /nfs/dbraw/zinc/02/30/60/523023060.db2.gz FYCJOLNJHIUACM-RDTXWAMCSA-N 1 0 310.397 4.196 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000181424630 525203289 /nfs/dbraw/zinc/20/32/89/525203289.db2.gz VLYOFDKGRCDLHZ-XOBRGWDASA-N 1 0 306.409 4.369 20 30 DIEDRO C[C@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1cccc(C#N)c1 ZINC000336963762 525345629 /nfs/dbraw/zinc/34/56/29/525345629.db2.gz GYEJOYYLNWSNLR-AWEZNQCLSA-N 1 0 321.399 4.462 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C(C)C)cc1 ZINC000182050084 525372786 /nfs/dbraw/zinc/37/27/86/525372786.db2.gz XLHJMOPRFUHUAU-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1cccc(C#N)c1 ZINC000181787149 525541399 /nfs/dbraw/zinc/54/13/99/525541399.db2.gz KMYZFNVSRSZITM-OAHLLOKOSA-N 1 0 306.409 4.198 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1cccc(C#N)c1 ZINC000181486386 525545865 /nfs/dbraw/zinc/54/58/65/525545865.db2.gz ITGPLPYKGCSLGY-OAHLLOKOSA-N 1 0 321.424 4.125 20 30 DIEDRO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(C#N)cc1F ZINC000337216063 525551577 /nfs/dbraw/zinc/55/15/77/525551577.db2.gz YXZGBHWHDJGNPQ-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc(C#N)cc1 ZINC000179959882 525556832 /nfs/dbraw/zinc/55/68/32/525556832.db2.gz BOOSTDGETYGJJJ-SCLBCKFNSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000158085381 525574756 /nfs/dbraw/zinc/57/47/56/525574756.db2.gz MNOIUJDFCRKTQZ-BEVDRBHNSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000158203307 525649135 /nfs/dbraw/zinc/64/91/35/525649135.db2.gz IGZZOEDUPYHJLD-YSGRDPCXSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1 ZINC000182072256 525670067 /nfs/dbraw/zinc/67/00/67/525670067.db2.gz ODGGWVZWTXHPOP-PLMTUMEDSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000158085822 525688660 /nfs/dbraw/zinc/68/86/60/525688660.db2.gz MNOIUJDFCRKTQZ-XPGWFJOJSA-N 1 0 306.409 4.129 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)o1 ZINC000130454723 526621727 /nfs/dbraw/zinc/62/17/27/526621727.db2.gz FBXGDZCTJFBLBY-UHFFFAOYSA-N 1 0 300.789 4.364 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000182479133 526625031 /nfs/dbraw/zinc/62/50/31/526625031.db2.gz ZSSGTVOWSBETQZ-QGZVFWFLSA-N 1 0 312.800 4.215 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCO2 ZINC000272318944 535892867 /nfs/dbraw/zinc/89/28/67/535892867.db2.gz VNHWFWSBPVLPHS-IBGZPJMESA-N 1 0 318.420 4.223 20 30 DIEDRO COCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000272597398 536810496 /nfs/dbraw/zinc/81/04/96/536810496.db2.gz INKSJNNYBTXUBP-CXAGYDPISA-N 1 0 316.376 4.027 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013721164 563662543 /nfs/dbraw/zinc/66/25/43/563662543.db2.gz YXYRRTMTIPZVHQ-UHFFFAOYSA-N 1 0 301.817 4.237 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]c2nccc(Br)c12)C(C)(C)C ZINC001139945709 1046554661 /nfs/dbraw/zinc/55/46/61/1046554661.db2.gz OFCJBZWGTCTHQI-UHFFFAOYSA-N 1 0 322.250 4.112 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000773019641 1051024131 /nfs/dbraw/zinc/02/41/31/1051024131.db2.gz ZIWCFJPJSRKPGL-WDMOLILDSA-N 1 0 302.245 4.217 20 30 DIEDRO C=CCCCCCCCCCN1C[C@H](CO)CC(F)(F)C1 ZINC001207898661 1035516702 /nfs/dbraw/zinc/51/67/02/1035516702.db2.gz CEVWVXQXLWYTJU-MRXNPFEDSA-N 1 0 303.437 4.243 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000034992574 1035520966 /nfs/dbraw/zinc/52/09/66/1035520966.db2.gz IRCDPIKUPWKFBK-CYBMUJFWSA-N 1 0 300.789 4.093 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000579735299 1035541894 /nfs/dbraw/zinc/54/18/94/1035541894.db2.gz XDJNRAWQTCGGAM-UHFFFAOYSA-N 1 0 321.218 4.225 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccco1 ZINC000796816124 1035683693 /nfs/dbraw/zinc/68/36/93/1035683693.db2.gz HWLKUKCXGBBNBJ-JKSUJKDBSA-N 1 0 305.805 4.264 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1c1ccccc1 ZINC000610216073 1035748388 /nfs/dbraw/zinc/74/83/88/1035748388.db2.gz IYYMCWXMWVCDAB-FOIQADDNSA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1c1ccccc1 ZINC000610216074 1035749324 /nfs/dbraw/zinc/74/93/24/1035749324.db2.gz IYYMCWXMWVCDAB-MGPUTAFESA-N 1 0 308.400 4.323 20 30 DIEDRO Cc1ccccc1[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000610217597 1035760343 /nfs/dbraw/zinc/76/03/43/1035760343.db2.gz NJBAHJACFAMDGZ-UZLBHIALSA-N 1 0 306.409 4.001 20 30 DIEDRO Cc1ccc(SCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000578179237 1035787905 /nfs/dbraw/zinc/78/79/05/1035787905.db2.gz NOEXLHQXNSGYJD-LJQANCHMSA-N 1 0 308.450 4.236 20 30 DIEDRO C[NH+]1CCC(=Nc2sc3cc(Cl)ccc3c2C#N)CC1 ZINC001208742947 1035852264 /nfs/dbraw/zinc/85/22/64/1035852264.db2.gz ZFLLJOYRJCFRJH-UHFFFAOYSA-N 1 0 303.818 4.058 20 30 DIEDRO Cc1ccccc1[C@H]1CCCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167083862 1035878339 /nfs/dbraw/zinc/87/83/39/1035878339.db2.gz JLVKRALDBSBYCL-GOSISDBHSA-N 1 0 321.380 4.112 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001208844200 1035878934 /nfs/dbraw/zinc/87/89/34/1035878934.db2.gz GAYCTQJUVITELR-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO C=CCCCCN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001209207010 1036060418 /nfs/dbraw/zinc/06/04/18/1036060418.db2.gz HHVGGLBGGXLLEI-DOIPELPJSA-N 1 0 314.517 4.238 20 30 DIEDRO C[NH2+]Cc1cn(-c2nc(C(C)C)ccc2C#N)c2ccc(C)cc12 ZINC001167121068 1036125386 /nfs/dbraw/zinc/12/53/86/1036125386.db2.gz FCEYIRXSZIMUCM-UHFFFAOYSA-N 1 0 318.424 4.048 20 30 DIEDRO C=CC[N@@H+](CCC(C)(C)CC(=O)OCC)Cc1ccccc1F ZINC001167137829 1036171988 /nfs/dbraw/zinc/17/19/88/1036171988.db2.gz HZHXRRYNZXKWSI-UHFFFAOYSA-N 1 0 321.436 4.183 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001209439755 1036184631 /nfs/dbraw/zinc/18/46/31/1036184631.db2.gz XVGQZXKDPWMVQW-HXUWFJFHSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(Oc2cc(C)ncn2)CC1 ZINC001209442442 1036188637 /nfs/dbraw/zinc/18/86/37/1036188637.db2.gz SHNCHMOEOPMOSO-UHFFFAOYSA-N 1 0 317.477 4.155 20 30 DIEDRO C=CCCCCCCCC[N@@H+]1CCc2onc(COC)c2C1 ZINC001209444316 1036192194 /nfs/dbraw/zinc/19/21/94/1036192194.db2.gz PGMPMDMYSKCAQE-UHFFFAOYSA-N 1 0 306.450 4.096 20 30 DIEDRO COc1cccc(C[N@H+](CCc2ccc(C#N)cc2)CC(C)C)c1 ZINC001167199629 1036265129 /nfs/dbraw/zinc/26/51/29/1036265129.db2.gz QRZDVISVCPUNJV-UHFFFAOYSA-N 1 0 322.452 4.268 20 30 DIEDRO CCCCCCCCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001266470590 1036349012 /nfs/dbraw/zinc/34/90/12/1036349012.db2.gz TWMXXLWCRHUITF-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCCC)cc2)C1 ZINC001648802312 1036372163 /nfs/dbraw/zinc/37/21/63/1036372163.db2.gz GARIXWYQYAPAOT-VQIMIIECSA-N 1 0 314.473 4.051 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)CCC)cc2)C1 ZINC001648817111 1036578754 /nfs/dbraw/zinc/57/87/54/1036578754.db2.gz VHMBAZCXFSXAJT-MAUKXSAKSA-N 1 0 300.446 4.260 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(c3ccc(F)cc3)CC1)CC2 ZINC000580016804 1036754021 /nfs/dbraw/zinc/75/40/21/1036754021.db2.gz BJMLKSMVWCFXDK-IBGZPJMESA-N 1 0 306.384 4.006 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc(C#N)cc1 ZINC000447544339 1036780386 /nfs/dbraw/zinc/78/03/86/1036780386.db2.gz ULDKOJFDJAKMHE-IBGZPJMESA-N 1 0 308.425 4.457 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1cccc(C#N)c1 ZINC000610345133 1036838545 /nfs/dbraw/zinc/83/85/45/1036838545.db2.gz TYKMTKVXKIHILR-CQSZACIVSA-N 1 0 306.409 4.123 20 30 DIEDRO CCCOc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000610346103 1036841301 /nfs/dbraw/zinc/84/13/01/1036841301.db2.gz LEXNBAGQRNMTPQ-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(-c2ccncc2)c1)c1ccc(C#N)cc1 ZINC000610346158 1036841428 /nfs/dbraw/zinc/84/14/28/1036841428.db2.gz MZJJUONTCNZPEU-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000177703715 1036940783 /nfs/dbraw/zinc/94/07/83/1036940783.db2.gz ODLNWTAUIGFQIR-ZBEGNZNMSA-N 1 0 320.845 4.139 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167361031 1036979511 /nfs/dbraw/zinc/97/95/11/1036979511.db2.gz YLBBCBUHZLAHIK-MRXNPFEDSA-N 1 0 312.498 4.146 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379680255 1037066176 /nfs/dbraw/zinc/06/61/76/1037066176.db2.gz LODXPNXSHICLBW-UZLBHIALSA-N 1 0 305.425 4.023 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)nc1 ZINC000580750756 1037285106 /nfs/dbraw/zinc/28/51/06/1037285106.db2.gz NYQYZNQXCLOQSI-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO SC1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC001140296349 1037291364 /nfs/dbraw/zinc/29/13/64/1037291364.db2.gz HLVZYBRMPZBWIL-UHFFFAOYSA-N 1 0 324.902 4.358 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001211434687 1037319680 /nfs/dbraw/zinc/31/96/80/1037319680.db2.gz AZEZIPSOSUIHMD-UHFFFAOYSA-N 1 0 321.783 4.028 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1F ZINC000177857830 1037366170 /nfs/dbraw/zinc/36/61/70/1037366170.db2.gz FIJUECGYAYNWFN-NSHDSACASA-N 1 0 318.392 4.409 20 30 DIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC2CCC(C#N)CC2)c1 ZINC001167439541 1037371073 /nfs/dbraw/zinc/37/10/73/1037371073.db2.gz ZGZCUPBACQCWJM-LBXVMSDZSA-N 1 0 311.473 4.219 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000580981045 1037397173 /nfs/dbraw/zinc/39/71/73/1037397173.db2.gz NZYGVEHCWJUVQY-IIBYNOLFSA-N 1 0 318.420 4.089 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCS2 ZINC000276096407 1037512628 /nfs/dbraw/zinc/51/26/28/1037512628.db2.gz DSWXIJYQQRSZEK-UGSOOPFHSA-N 1 0 324.449 4.455 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CCC([NH+]2CCC2)CC1 ZINC001167454904 1037537278 /nfs/dbraw/zinc/53/72/78/1037537278.db2.gz FFUQTSLYTKTATF-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO N#CCSCCC[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000581443739 1037643411 /nfs/dbraw/zinc/64/34/11/1037643411.db2.gz LJWJTFULPWMNBE-SFHVURJKSA-N 1 0 302.487 4.121 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)c1C ZINC001167465163 1037669237 /nfs/dbraw/zinc/66/92/37/1037669237.db2.gz VKAJPGLUIYFCDK-NHCUHLMSSA-N 1 0 320.436 4.046 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cnc(-c4ccco4)s3)CC2)c1 ZINC000341212046 1037749947 /nfs/dbraw/zinc/74/99/47/1037749947.db2.gz JTQWFJPTNUFAKW-UHFFFAOYSA-N 1 0 321.405 4.054 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000610511684 1037769449 /nfs/dbraw/zinc/76/94/49/1037769449.db2.gz YMRFLDLEXCFYEL-YPMHNXCESA-N 1 0 302.365 4.078 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132811 1037819032 /nfs/dbraw/zinc/81/90/32/1037819032.db2.gz VGGOQHJLYJSGFH-LEWJYISDSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@H+](C2CC2)C2CCCC2)c1O ZINC000754725803 1037832433 /nfs/dbraw/zinc/83/24/33/1037832433.db2.gz GNBQMRIADRNZNO-UHFFFAOYSA-N 1 0 301.430 4.036 20 30 DIEDRO CC[N@H+](CCCOc1cccc(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000477287363 1037885174 /nfs/dbraw/zinc/88/51/74/1037885174.db2.gz ZPIUKQKQGCXYGW-MRXNPFEDSA-N 1 0 324.424 4.116 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000078303319 1037924103 /nfs/dbraw/zinc/92/41/03/1037924103.db2.gz NCMPDDYUIIITDU-NRFANRHFSA-N 1 0 319.452 4.277 20 30 DIEDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078573931 1037931545 /nfs/dbraw/zinc/93/15/45/1037931545.db2.gz OCTSUEIFRKLQBL-MRXNPFEDSA-N 1 0 323.440 4.002 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CCC(OC(C)C)CC2)cc1 ZINC000130245015 1037956598 /nfs/dbraw/zinc/95/65/98/1037956598.db2.gz JLQMKSOHSMEIOJ-UHFFFAOYSA-N 1 0 303.446 4.077 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000602455162 1038006189 /nfs/dbraw/zinc/00/61/89/1038006189.db2.gz QXFITWCROJKYFV-AWEZNQCLSA-N 1 0 313.420 4.426 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000602448368 1038011129 /nfs/dbraw/zinc/01/11/29/1038011129.db2.gz GAZXEWCNLKHRBY-MAUKXSAKSA-N 1 0 310.445 4.040 20 30 DIEDRO COc1ccc([C@@H]([NH2+]C2CCC(C#N)CC2)c2ccccc2)cc1 ZINC000602501464 1038017259 /nfs/dbraw/zinc/01/72/59/1038017259.db2.gz DUZSZSYACQXDTP-IOYBJCICSA-N 1 0 320.436 4.457 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000602519067 1038024947 /nfs/dbraw/zinc/02/49/47/1038024947.db2.gz VASHLCOJUJZYDX-MRXNPFEDSA-N 1 0 324.424 4.135 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000602514708 1038025481 /nfs/dbraw/zinc/02/54/81/1038025481.db2.gz UNKSRKXPYMTEIB-VSZNYVQBSA-N 1 0 304.478 4.034 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000602522430 1038028954 /nfs/dbraw/zinc/02/89/54/1038028954.db2.gz UKQXSAIRJIFVPJ-CQSZACIVSA-N 1 0 313.376 4.042 20 30 DIEDRO COc1ccc([C@@H]([NH2+]C[C@H](C)CCC#N)c2ccccc2)cc1 ZINC000602506569 1038029535 /nfs/dbraw/zinc/02/95/35/1038029535.db2.gz ZLKUZNBOMSOFER-UZLBHIALSA-N 1 0 308.425 4.314 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000602512955 1038030459 /nfs/dbraw/zinc/03/04/59/1038030459.db2.gz YKUWGHSESMNWRU-IAGOWNOFSA-N 1 0 323.440 4.251 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000602513314 1038030920 /nfs/dbraw/zinc/03/09/20/1038030920.db2.gz BYKQRAKTHKBQHG-GOSISDBHSA-N 1 0 322.452 4.433 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000602511325 1038031711 /nfs/dbraw/zinc/03/17/11/1038031711.db2.gz PVRISNRMVVQSDI-SFHVURJKSA-N 1 0 322.452 4.433 20 30 DIEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)n2)cc1 ZINC000602540041 1038034356 /nfs/dbraw/zinc/03/43/56/1038034356.db2.gz UXFQYPUFXKMRFB-CQSZACIVSA-N 1 0 311.454 4.305 20 30 DIEDRO COc1ccccc1[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602546708 1038035230 /nfs/dbraw/zinc/03/52/30/1038035230.db2.gz FDBFVZSBQBUJMJ-UZLBHIALSA-N 1 0 308.425 4.314 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000602525964 1038035345 /nfs/dbraw/zinc/03/53/45/1038035345.db2.gz NKWGKHFDZOVUFF-CHWSQXEVSA-N 1 0 314.351 4.002 20 30 DIEDRO COc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1OC1CCCC1 ZINC000602561345 1038037069 /nfs/dbraw/zinc/03/70/69/1038037069.db2.gz DPFQTAMSEVTAIY-HNNXBMFYSA-N 1 0 316.445 4.046 20 30 DIEDRO COc1ccccc1C1(C[NH2+]C2CCC(C#N)CC2)CCCC1 ZINC000602529899 1038038691 /nfs/dbraw/zinc/03/86/91/1038038691.db2.gz PQDUKJFVPOEHHA-UHFFFAOYSA-N 1 0 312.457 4.179 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000178177108 1038039723 /nfs/dbraw/zinc/03/97/23/1038039723.db2.gz KEAXDJWCAUJGCD-KDOFPFPSSA-N 1 0 322.408 4.131 20 30 DIEDRO CC[C@H](C[NH2+]C1CCC(C#N)CC1)Oc1ccccc1Cl ZINC000602571490 1038042592 /nfs/dbraw/zinc/04/25/92/1038042592.db2.gz WUPJACGSBNFVSA-YMAMQOFZSA-N 1 0 306.837 4.169 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC000602585754 1038047270 /nfs/dbraw/zinc/04/72/70/1038047270.db2.gz JTNCWEHMAHXXDQ-UHFFFAOYSA-N 1 0 307.397 4.046 20 30 DIEDRO CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602618409 1038050415 /nfs/dbraw/zinc/05/04/15/1038050415.db2.gz RVQSRYVZICHBCS-UYAOXDASSA-N 1 0 305.425 4.003 20 30 DIEDRO CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602618408 1038050859 /nfs/dbraw/zinc/05/08/59/1038050859.db2.gz RVQSRYVZICHBCS-QUCCMNQESA-N 1 0 305.425 4.003 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000602651194 1038055715 /nfs/dbraw/zinc/05/57/15/1038055715.db2.gz RDRODDOKINNSKK-KDOFPFPSSA-N 1 0 320.864 4.337 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000602658468 1038061885 /nfs/dbraw/zinc/06/18/85/1038061885.db2.gz YIZLFFGDLVITBN-GOSISDBHSA-N 1 0 307.441 4.066 20 30 DIEDRO COc1cc(C[C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)ccn1 ZINC000602669590 1038064242 /nfs/dbraw/zinc/06/42/42/1038064242.db2.gz KKIOGQJFRZWSFR-QFBILLFUSA-N 1 0 323.440 4.046 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000602691883 1038066954 /nfs/dbraw/zinc/06/69/54/1038066954.db2.gz VDDRKNGEXCBMEV-ZBFHGGJFSA-N 1 0 311.816 4.033 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000602687475 1038067357 /nfs/dbraw/zinc/06/73/57/1038067357.db2.gz XGPYDLXWIJEDGJ-GDBMZVCRSA-N 1 0 311.816 4.033 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000602693429 1038067998 /nfs/dbraw/zinc/06/79/98/1038067998.db2.gz QUGZSLWEQAOKHS-PKOBYXMFSA-N 1 0 319.452 4.078 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000602698313 1038069629 /nfs/dbraw/zinc/06/96/29/1038069629.db2.gz JLKBHGUFTUUGOK-CQSZACIVSA-N 1 0 313.376 4.042 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000602698310 1038069666 /nfs/dbraw/zinc/06/96/66/1038069666.db2.gz JLKBHGUFTUUGOK-AWEZNQCLSA-N 1 0 313.376 4.042 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000602701452 1038073648 /nfs/dbraw/zinc/07/36/48/1038073648.db2.gz SYPWAZLULPCBMC-TZMCWYRMSA-N 1 0 315.848 4.208 20 30 DIEDRO Cc1ccc([C@@H](CNc2cccc(F)c2C#N)[NH+]2CCCC2)cc1 ZINC000060862692 1038076218 /nfs/dbraw/zinc/07/62/18/1038076218.db2.gz ZBAMYSSTFZASMP-HXUWFJFHSA-N 1 0 323.415 4.255 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000602721572 1038077944 /nfs/dbraw/zinc/07/79/44/1038077944.db2.gz UUZTZLVYZJZIFL-HSVJCBRXSA-N 1 0 321.262 4.382 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F ZINC000602732865 1038079984 /nfs/dbraw/zinc/07/99/84/1038079984.db2.gz RZIAYSHNDHQZIE-GFCCVEGCSA-N 1 0 323.362 4.259 20 30 DIEDRO Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602725438 1038080261 /nfs/dbraw/zinc/08/02/61/1038080261.db2.gz WUOFFQASFJRAJL-LPHOPBHVSA-N 1 0 312.457 4.061 20 30 DIEDRO COc1ccc2[nH]cc(C3CC[NH+](CC4(CC#N)CC4)CC3)c2c1 ZINC000602762987 1038083234 /nfs/dbraw/zinc/08/32/34/1038083234.db2.gz IPVANWFSIQUQNM-UHFFFAOYSA-N 1 0 323.440 4.050 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000602739749 1038083813 /nfs/dbraw/zinc/08/38/13/1038083813.db2.gz BVJMVMRAFYJULL-OAHLLOKOSA-N 1 0 310.363 4.262 20 30 DIEDRO N#CCC1(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC000602790683 1038088644 /nfs/dbraw/zinc/08/86/44/1038088644.db2.gz IJGYVZFDUWJJNF-UHFFFAOYSA-N 1 0 309.388 4.090 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(OCc2ccccn2)c1 ZINC000602802982 1038090117 /nfs/dbraw/zinc/09/01/17/1038090117.db2.gz UBWSEJGIQSQKDN-MRXNPFEDSA-N 1 0 321.424 4.005 20 30 DIEDRO C=C(C[NH2+]Cc1cc(OC)ccc1OC(F)F)c1ccccc1 ZINC000602911226 1038107398 /nfs/dbraw/zinc/10/73/98/1038107398.db2.gz VEATXBPIQHSITJ-UHFFFAOYSA-N 1 0 319.351 4.100 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602903465 1038109576 /nfs/dbraw/zinc/10/95/76/1038109576.db2.gz IEDMDOGJFXNZTM-CQSZACIVSA-N 1 0 309.388 4.033 20 30 DIEDRO CC[C@](C)([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000602923402 1038112125 /nfs/dbraw/zinc/11/21/25/1038112125.db2.gz ILDVCXGZQZKYCS-SFHVURJKSA-N 1 0 318.436 4.141 20 30 DIEDRO CCCC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)c1ccc(C)o1 ZINC000598590588 1038128032 /nfs/dbraw/zinc/12/80/32/1038128032.db2.gz PGJPKWWKCSLZRF-HZPDHXFCSA-N 1 0 306.450 4.052 20 30 DIEDRO C[C@H](c1ccccc1Cl)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598590616 1038128174 /nfs/dbraw/zinc/12/81/74/1038128174.db2.gz RTABSRRSMIPEDR-HIFRSBDPSA-N 1 0 320.864 4.166 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000598587977 1038128213 /nfs/dbraw/zinc/12/82/13/1038128213.db2.gz YGNGBLKGMQHJTQ-PXNSSMCTSA-N 1 0 322.452 4.277 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598594469 1038128500 /nfs/dbraw/zinc/12/85/00/1038128500.db2.gz KKSIBAHMVDHBNC-GUYCJALGSA-N 1 0 320.864 4.166 20 30 DIEDRO CCCC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000598587974 1038129352 /nfs/dbraw/zinc/12/93/52/1038129352.db2.gz YFEZAHHMGSBEQD-SJLPKXTDSA-N 1 0 302.462 4.150 20 30 DIEDRO CCC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](CC)c1ccccc1 ZINC000598587666 1038129716 /nfs/dbraw/zinc/12/97/16/1038129716.db2.gz USNLAQIUVKUUDD-QZTJIDSGSA-N 1 0 302.462 4.150 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598594710 1038130399 /nfs/dbraw/zinc/13/03/99/1038130399.db2.gz IFGMPFFEELHRGL-VBQJREDUSA-N 1 0 322.880 4.065 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(F)c1 ZINC000061001722 1038158847 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C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1C(F)(F)F ZINC000599049302 1038223757 /nfs/dbraw/zinc/22/37/57/1038223757.db2.gz OVIRLWUTLMPWOK-SNVBAGLBSA-N 1 0 302.315 4.435 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1C(F)(F)F ZINC000599050821 1038229572 /nfs/dbraw/zinc/22/95/72/1038229572.db2.gz DHPQAUGKVQVFCJ-JFGNBEQYSA-N 1 0 300.299 4.187 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C1 ZINC000599052652 1038229677 /nfs/dbraw/zinc/22/96/77/1038229677.db2.gz QLTLAHDYLPOESC-XTQGRXLLSA-N 1 0 313.832 4.481 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)C1 ZINC000599090558 1038236733 /nfs/dbraw/zinc/23/67/33/1038236733.db2.gz NCOVFWSLIKNMKX-WCQYABFASA-N 1 0 319.811 4.175 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)s1 ZINC000593697853 1038252481 /nfs/dbraw/zinc/25/24/81/1038252481.db2.gz OBFMSIMMOLDUMK-FHWLQOOXSA-N 1 0 324.449 4.114 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000341758655 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4.319 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1cc(F)ccc1F ZINC000599356966 1038272299 /nfs/dbraw/zinc/27/22/99/1038272299.db2.gz PLDIUXSERYDSFV-GOSISDBHSA-N 1 0 300.352 4.386 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C)c(C#N)c2)C2CC2)cc1 ZINC000599355367 1038273773 /nfs/dbraw/zinc/27/37/73/1038273773.db2.gz ZMIDIRIBUHIDJG-FQEVSTJZSA-N 1 0 306.409 4.116 20 30 DIEDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000610719229 1038274730 /nfs/dbraw/zinc/27/47/30/1038274730.db2.gz QLVCKSYAUSSIKA-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341814420 1038276496 /nfs/dbraw/zinc/27/64/96/1038276496.db2.gz PGZPNAUXKTXWIW-PMACEKPBSA-N 1 0 318.420 4.221 20 30 DIEDRO CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1C#N ZINC000610728585 1038278533 /nfs/dbraw/zinc/27/85/33/1038278533.db2.gz HIQBPCMIPLHJOJ-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1C#N ZINC000599422780 1038278715 /nfs/dbraw/zinc/27/87/15/1038278715.db2.gz XGZLOJMEYALBRY-IYBDPMFKSA-N 1 0 310.363 4.420 20 30 DIEDRO N#CC1(C[C@H](O)C[N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000599436860 1038285104 /nfs/dbraw/zinc/28/51/04/1038285104.db2.gz AVNZLKGWZOVQFB-RBUKOAKNSA-N 1 0 324.468 4.049 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ccc(C#N)cc2)C1 ZINC000603859339 1038304684 /nfs/dbraw/zinc/30/46/84/1038304684.db2.gz CUAGNBUEDSZWGD-QGZVFWFLSA-N 1 0 319.452 4.402 20 30 DIEDRO CCC(CC)CN(CCC#N)Cc1ccc(C(F)(F)F)cn1 ZINC000341881193 1038310919 /nfs/dbraw/zinc/31/09/19/1038310919.db2.gz HMMRJCWUERYMTN-UHFFFAOYSA-N 1 0 313.367 4.252 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000477926770 1038318435 /nfs/dbraw/zinc/31/84/35/1038318435.db2.gz LRWHGBDRMOIZRE-BOUXLOLZSA-N 1 0 324.399 4.126 20 30 DIEDRO C=CCC1([NH2+]Cc2nc([C@H](C)SCC)no2)CCCCC1 ZINC000599609157 1038322465 /nfs/dbraw/zinc/32/24/65/1038322465.db2.gz HEJPVOBBZODHLN-ZDUSSCGKSA-N 1 0 309.479 4.252 20 30 DIEDRO CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1CCCSCC#N ZINC000599630847 1038322852 /nfs/dbraw/zinc/32/28/52/1038322852.db2.gz VZLSRJVOEMWECX-INIZCTEOSA-N 1 0 306.450 4.040 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000535784848 1038336029 /nfs/dbraw/zinc/33/60/29/1038336029.db2.gz SBSVFQJWNKONAT-UHFFFAOYSA-N 1 0 308.469 4.416 20 30 DIEDRO Cc1nc(C(C)C)ccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679099 1038336121 /nfs/dbraw/zinc/33/61/21/1038336121.db2.gz VVQYKIYTSVVWMK-UHFFFAOYSA-N 1 0 319.452 4.138 20 30 DIEDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)cc1F ZINC000599681738 1038337273 /nfs/dbraw/zinc/33/72/73/1038337273.db2.gz ZRPPIVCOHHNZPW-RDTXWAMCSA-N 1 0 324.399 4.256 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1CC)c1ccccc1 ZINC000341937056 1038354917 /nfs/dbraw/zinc/35/49/17/1038354917.db2.gz BIPVRPUTYMHDJB-OALUTQOASA-N 1 0 314.473 4.075 20 30 DIEDRO CC(C)CCC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1 ZINC000610813453 1038361876 /nfs/dbraw/zinc/36/18/76/1038361876.db2.gz HSFFRNZSOSGUBG-HXUWFJFHSA-N 1 0 313.489 4.132 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000277104127 1038368125 /nfs/dbraw/zinc/36/81/25/1038368125.db2.gz LRWHGBDRMOIZRE-DCPHZVHLSA-N 1 0 324.399 4.126 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(-n2ccnc2)cc1 ZINC000610830391 1038372004 /nfs/dbraw/zinc/37/20/04/1038372004.db2.gz PYYOYZNBXVVSPO-HOTGVXAUSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1cccc(C#N)c1 ZINC000610829712 1038372658 /nfs/dbraw/zinc/37/26/58/1038372658.db2.gz GHVDJFBBBHSEPU-QWRGUYRKSA-N 1 0 304.315 4.387 20 30 DIEDRO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000610829794 1038373395 /nfs/dbraw/zinc/37/33/95/1038373395.db2.gz LKXALVCKBAOKCO-IUODEOHRSA-N 1 0 311.454 4.305 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@@H](C)c1ccc(F)cc1 ZINC000538139785 1038390331 /nfs/dbraw/zinc/39/03/31/1038390331.db2.gz ZDCIWMVVAMDEDN-ZDUSSCGKSA-N 1 0 300.352 4.420 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000610946732 1038404174 /nfs/dbraw/zinc/40/41/74/1038404174.db2.gz YVTVMSPMWBKCKK-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521410 1038418113 /nfs/dbraw/zinc/41/81/13/1038418113.db2.gz IKRMKJICMVCTDP-SFTDATJTSA-N 1 0 320.436 4.158 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000610991321 1038419361 /nfs/dbraw/zinc/41/93/61/1038419361.db2.gz FWVVSLOZWBQAIQ-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991997 1038419557 /nfs/dbraw/zinc/41/95/57/1038419557.db2.gz YMCMFGJOROHTFO-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610993524 1038424210 /nfs/dbraw/zinc/42/42/10/1038424210.db2.gz WLHNYZVPYIGTAD-JXFKEZNVSA-N 1 0 305.425 4.235 20 30 DIEDRO COCCCC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000926329321 1038454061 /nfs/dbraw/zinc/45/40/61/1038454061.db2.gz CZESYJXAEAUWBV-SJLPKXTDSA-N 1 0 302.462 4.462 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CC[C@@H]1c1ccccc1 ZINC001167499504 1038454147 /nfs/dbraw/zinc/45/41/47/1038454147.db2.gz JVIDBQZBGRDCML-KXBFYZLASA-N 1 0 308.400 4.323 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCOC)c1ccc(C(F)(F)F)cc1 ZINC000342201892 1038474321 /nfs/dbraw/zinc/47/43/21/1038474321.db2.gz ZNYMCXUAVSXBEJ-HNNXBMFYSA-N 1 0 301.352 4.339 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccnn1C)c1ccc(C(F)(F)F)cc1 ZINC000342199528 1038474846 /nfs/dbraw/zinc/47/48/46/1038474846.db2.gz IGOZEQICAJEMLZ-INIZCTEOSA-N 1 0 323.362 4.236 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCOCC)c1ccc(C(F)(F)F)cc1 ZINC000342217906 1038483572 /nfs/dbraw/zinc/48/35/72/1038483572.db2.gz GHFMPWPLAUSIFP-OAHLLOKOSA-N 1 0 301.352 4.339 20 30 DIEDRO C=CCC[C@H]([NH2+]CCOCC)c1ccc(C(F)(F)F)cc1 ZINC000342217905 1038483685 /nfs/dbraw/zinc/48/36/85/1038483685.db2.gz GHFMPWPLAUSIFP-HNNXBMFYSA-N 1 0 301.352 4.339 20 30 DIEDRO C[C@H](CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000447734154 1038504938 /nfs/dbraw/zinc/50/49/38/1038504938.db2.gz TZSOVBNYUUQMLL-DYESRHJHSA-N 1 0 320.436 4.125 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC000605323176 1038506437 /nfs/dbraw/zinc/50/64/37/1038506437.db2.gz LFRVIPADVMESMG-MJGOQNOKSA-N 1 0 317.473 4.182 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000605323238 1038507306 /nfs/dbraw/zinc/50/73/06/1038507306.db2.gz NTMXLDLWAUUGQC-IEBWSBKVSA-N 1 0 317.473 4.182 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000342283275 1038515651 /nfs/dbraw/zinc/51/56/51/1038515651.db2.gz PXAQOBHYYYGCFD-UHFFFAOYSA-N 1 0 301.821 4.308 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000342285668 1038517986 /nfs/dbraw/zinc/51/79/86/1038517986.db2.gz JCLGTFNTUDRNQI-UHFFFAOYSA-N 1 0 302.315 4.264 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1c(F)cccc1Br ZINC000342294519 1038519304 /nfs/dbraw/zinc/51/93/04/1038519304.db2.gz HORQNIFRRXVMHB-UHFFFAOYSA-N 1 0 313.214 4.008 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000342295762 1038519671 /nfs/dbraw/zinc/51/96/71/1038519671.db2.gz QOIQTDXXHUORAS-UHFFFAOYSA-N 1 0 300.324 4.005 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000342309024 1038525234 /nfs/dbraw/zinc/52/52/34/1038525234.db2.gz SMOHAHOEHRVLCE-UHFFFAOYSA-N 1 0 316.836 4.150 20 30 DIEDRO CC(C)c1ccc(C[NH2+]CC(C)(C)CCC#N)cc1[N+](=O)[O-] ZINC000342311246 1038527408 /nfs/dbraw/zinc/52/74/08/1038527408.db2.gz VUUSEDUGATZTKE-UHFFFAOYSA-N 1 0 303.406 4.138 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(OC(F)F)cc1 ZINC000539219191 1038540920 /nfs/dbraw/zinc/54/09/20/1038540920.db2.gz CJLNNLFTTAWPOB-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO CC[N@H+](CCc1noc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000593947375 1038573977 /nfs/dbraw/zinc/57/39/77/1038573977.db2.gz IYLQJGQZQWDKKQ-HNNXBMFYSA-N 1 0 319.408 4.325 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(C#N)cc1C)C(C)(C)C ZINC000934287601 1038577869 /nfs/dbraw/zinc/57/78/69/1038577869.db2.gz FITJSDFCSPQPTF-LJQANCHMSA-N 1 0 307.441 4.447 20 30 DIEDRO CC[N@H+](Cc1ccc(COC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000119859479 1038588031 /nfs/dbraw/zinc/58/80/31/1038588031.db2.gz WEQHJTNWRNHTJN-MRXNPFEDSA-N 1 0 308.425 4.288 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000342430426 1038597154 /nfs/dbraw/zinc/59/71/54/1038597154.db2.gz FXLGIELILKADFA-OAHLLOKOSA-N 1 0 321.424 4.495 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c(Cl)c1 ZINC000615224982 1038616200 /nfs/dbraw/zinc/61/62/00/1038616200.db2.gz BIGUABWQMHAFPJ-SFHVURJKSA-N 1 0 312.800 4.254 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC001167558527 1038621039 /nfs/dbraw/zinc/62/10/39/1038621039.db2.gz OGYIBYPVZSOQDI-ZWKOTPCHSA-N 1 0 300.471 4.035 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168422188 1038621156 /nfs/dbraw/zinc/62/11/56/1038621156.db2.gz WHDCLGBVVLYEJI-FQEVSTJZSA-N 1 0 308.400 4.099 20 30 DIEDRO Cc1cnc(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000277538650 1038630628 /nfs/dbraw/zinc/63/06/28/1038630628.db2.gz RYDZBKADGWJEJQ-CQSZACIVSA-N 1 0 311.454 4.264 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000582319944 1038633097 /nfs/dbraw/zinc/63/30/97/1038633097.db2.gz SABJTCWBYWIOEN-MRVWCRGKSA-N 1 0 322.239 4.273 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000611587359 1038634373 /nfs/dbraw/zinc/63/43/73/1038634373.db2.gz BSIUEZINYMHVOS-GOEBONIOSA-N 1 0 308.400 4.153 20 30 DIEDRO C=CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000606896287 1038636381 /nfs/dbraw/zinc/63/63/81/1038636381.db2.gz CTIFHDOCIDEIKG-OAQYLSRUSA-N 1 0 323.436 4.227 20 30 DIEDRO C=CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000606897275 1038638045 /nfs/dbraw/zinc/63/80/45/1038638045.db2.gz CUJPRBIAQXGFQO-UHFFFAOYSA-N 1 0 303.446 4.415 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000606914894 1038640376 /nfs/dbraw/zinc/64/03/76/1038640376.db2.gz VGNHUBNPVNWLNQ-UHFFFAOYSA-N 1 0 311.400 4.212 20 30 DIEDRO CCN(Cc1nc(C2CC2)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000342670542 1038713394 /nfs/dbraw/zinc/71/33/94/1038713394.db2.gz SKADYBFINQYVQP-ZDUSSCGKSA-N 1 0 311.454 4.475 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000479578116 1038720800 /nfs/dbraw/zinc/72/08/00/1038720800.db2.gz KFGJNNTYSYZUQA-UHFFFAOYSA-N 1 0 323.396 4.125 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccccc3Cl)CC2)c(F)c1 ZINC000479948959 1038752871 /nfs/dbraw/zinc/75/28/71/1038752871.db2.gz IYJMXJWMJCVBCS-UHFFFAOYSA-N 1 0 314.791 4.172 20 30 DIEDRO CCCOc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000075755694 1038758475 /nfs/dbraw/zinc/75/84/75/1038758475.db2.gz INNFWRZPAFSRFG-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO CCCOc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000075755696 1038758705 /nfs/dbraw/zinc/75/87/05/1038758705.db2.gz INNFWRZPAFSRFG-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000657528979 1038765110 /nfs/dbraw/zinc/76/51/10/1038765110.db2.gz OLHAZODANIXAEU-GDBMZVCRSA-N 1 0 313.470 4.430 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CCOCC1 ZINC000091412297 1038765513 /nfs/dbraw/zinc/76/55/13/1038765513.db2.gz CWIWKOIAFSJHOW-INIZCTEOSA-N 1 0 320.436 4.130 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)c2ccccn2)cc1Cl ZINC000657534841 1038771510 /nfs/dbraw/zinc/77/15/10/1038771510.db2.gz ZFUDHYIOTVLZTJ-CQSZACIVSA-N 1 0 316.832 4.193 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1F ZINC000063751084 1038839851 /nfs/dbraw/zinc/83/98/51/1038839851.db2.gz VTRINHIVQSCUHD-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO Cc1cccc(OCC[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063751170 1038840322 /nfs/dbraw/zinc/84/03/22/1038840322.db2.gz YUYASFQVMSXSRP-UHFFFAOYSA-N 1 0 308.425 4.156 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cn(C)nc2-c2cccnc2)CCCC1 ZINC000657567338 1038852669 /nfs/dbraw/zinc/85/26/69/1038852669.db2.gz QDHOIDNSCMPFLT-UHFFFAOYSA-N 1 0 324.472 4.098 20 30 DIEDRO C=CCC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000657582653 1038881391 /nfs/dbraw/zinc/88/13/91/1038881391.db2.gz XXMJUAXZSVNSAT-UHFFFAOYSA-N 1 0 303.427 4.001 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)cc1C#N ZINC000174302395 1038920266 /nfs/dbraw/zinc/92/02/66/1038920266.db2.gz LJEQQUBNZLBSPV-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1C#N ZINC000174348096 1038932797 /nfs/dbraw/zinc/93/27/97/1038932797.db2.gz WZNPLDUHPGMTAS-FQEVSTJZSA-N 1 0 324.399 4.337 20 30 DIEDRO C=CCC1([NH2+]Cc2cnc(-c3ccccc3)s2)CCOCC1 ZINC000657633812 1038935058 /nfs/dbraw/zinc/93/50/58/1038935058.db2.gz XXDZDGKDSDEMNP-UHFFFAOYSA-N 1 0 314.454 4.025 20 30 DIEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC001167619452 1038937207 /nfs/dbraw/zinc/93/72/07/1038937207.db2.gz LRNNDLIIDDJPRR-RDJZCZTQSA-N 1 0 308.400 4.150 20 30 DIEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000608860499 1038937902 /nfs/dbraw/zinc/93/79/02/1038937902.db2.gz QSHABQOIXWJRPV-PKOBYXMFSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1cn2ccccc2c1C#N)c1ccccc1 ZINC000608976702 1038948260 /nfs/dbraw/zinc/94/82/60/1038948260.db2.gz IPUBHSFURWHFBF-INIZCTEOSA-N 1 0 303.409 4.046 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Cc1cccs1 ZINC000174534022 1038948595 /nfs/dbraw/zinc/94/85/95/1038948595.db2.gz CZUBZIJDDNNGSI-CABCVRRESA-N 1 0 314.454 4.007 20 30 DIEDRO C=CCOCCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000657659012 1038960863 /nfs/dbraw/zinc/96/08/63/1038960863.db2.gz NTOPQKLAAFOWLJ-UHFFFAOYSA-N 1 0 322.861 4.146 20 30 DIEDRO C=C(C)C[NH+]1CCC(NCc2c(Cl)oc3ccccc32)CC1 ZINC000534169655 1039001878 /nfs/dbraw/zinc/00/18/78/1039001878.db2.gz YGENUERNBPUPMR-UHFFFAOYSA-N 1 0 318.848 4.216 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CCCC1 ZINC000657702050 1039037767 /nfs/dbraw/zinc/03/77/67/1039037767.db2.gz FVBGUEDBGOBADP-UHFFFAOYSA-N 1 0 301.459 4.127 20 30 DIEDRO Cc1ccc(C)n1C1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000442675796 1039113038 /nfs/dbraw/zinc/11/30/38/1039113038.db2.gz CGKXQRNCWPMZOT-QGZVFWFLSA-N 1 0 307.441 4.375 20 30 DIEDRO CCCCCCCCCCCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC001127225812 1039132944 /nfs/dbraw/zinc/13/29/44/1039132944.db2.gz ATTKEJKTPDZGTC-ROUUACIJSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCOc1ccc(CC[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000539490338 1039271158 /nfs/dbraw/zinc/27/11/58/1039271158.db2.gz DFLRPPYVSBXOKU-UHFFFAOYSA-N 1 0 314.454 4.131 20 30 DIEDRO CCO[C@H](CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1)C1CCCC1 ZINC000539610319 1039297421 /nfs/dbraw/zinc/29/74/21/1039297421.db2.gz WBJNIYPCXBCQLK-AUUYWEPGSA-N 1 0 318.436 4.333 20 30 DIEDRO CCO[C@@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CCCC1 ZINC000539610322 1039297541 /nfs/dbraw/zinc/29/75/41/1039297541.db2.gz WBJNIYPCXBCQLK-LIRRHRJNSA-N 1 0 318.436 4.333 20 30 DIEDRO CCC(CC)[C@H](CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000539610488 1039297961 /nfs/dbraw/zinc/29/79/61/1039297961.db2.gz YKJGKCSFGZZEIJ-ACJLOTCBSA-N 1 0 306.425 4.189 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000539608372 1039298340 /nfs/dbraw/zinc/29/83/40/1039298340.db2.gz HNGUVJIRMROKMO-AWEZNQCLSA-N 1 0 324.399 4.088 20 30 DIEDRO CCC(CC)[C@@H](CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000539610489 1039298365 /nfs/dbraw/zinc/29/83/65/1039298365.db2.gz YKJGKCSFGZZEIJ-FZKQIMNGSA-N 1 0 306.425 4.189 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000539608373 1039298418 /nfs/dbraw/zinc/29/84/18/1039298418.db2.gz HNGUVJIRMROKMO-CQSZACIVSA-N 1 0 324.399 4.088 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C#N)cc1 ZINC000278251749 1039323028 /nfs/dbraw/zinc/32/30/28/1039323028.db2.gz MQBJMKSHDKCPTO-ORAYPTAESA-N 1 0 321.380 4.195 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(C#N)cc1 ZINC000278253724 1039326299 /nfs/dbraw/zinc/32/62/99/1039326299.db2.gz MWKMUAKYPCLRTH-RTBURBONSA-N 1 0 323.440 4.029 20 30 DIEDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000443207853 1039332099 /nfs/dbraw/zinc/33/20/99/1039332099.db2.gz LFWOMFMDQSXGKK-FIKGOQFSSA-N 1 0 321.468 4.209 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]CCSCc1cccc2ccccc21 ZINC000566557418 1039339751 /nfs/dbraw/zinc/33/97/51/1039339751.db2.gz ZGYPXCMMYFRTSK-INIZCTEOSA-N 1 0 323.465 4.106 20 30 DIEDRO C=CCc1cc(C[N@@H+](C)[C@@H](C)CCSCC)cc(OC)c1O ZINC000539825932 1039354314 /nfs/dbraw/zinc/35/43/14/1039354314.db2.gz XYUOLHNPUFSXCB-AWEZNQCLSA-N 1 0 323.502 4.093 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1 ZINC000539827905 1039357711 /nfs/dbraw/zinc/35/77/11/1039357711.db2.gz OPYJRXMFDVBFRJ-MRXNPFEDSA-N 1 0 311.425 4.020 20 30 DIEDRO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CCC1 ZINC000539834848 1039360468 /nfs/dbraw/zinc/36/04/68/1039360468.db2.gz NXSBREDZZODZLT-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1C#N ZINC000728569584 1039374178 /nfs/dbraw/zinc/37/41/78/1039374178.db2.gz NDTRJOUYFBBBJA-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000278354998 1039411526 /nfs/dbraw/zinc/41/15/26/1039411526.db2.gz ZRXQVPSAIMQION-VLIAUNLRSA-N 1 0 321.424 4.319 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000540155546 1039434763 /nfs/dbraw/zinc/43/47/63/1039434763.db2.gz AYXWWWXDEYDKII-FUHWJXTLSA-N 1 0 321.436 4.043 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000540399009 1039491648 /nfs/dbraw/zinc/49/16/48/1039491648.db2.gz YUTWQZLHIGKTEZ-XJKSGUPXSA-N 1 0 315.379 4.321 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000052660330 1039500121 /nfs/dbraw/zinc/50/01/21/1039500121.db2.gz SDXVKRCFNLRQPS-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000540494970 1039505005 /nfs/dbraw/zinc/50/50/05/1039505005.db2.gz DBBJVKDKESRHJR-IBGZPJMESA-N 1 0 302.462 4.059 20 30 DIEDRO Cc1ccc(CSCC[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000540502594 1039510266 /nfs/dbraw/zinc/51/02/66/1039510266.db2.gz OGGYCIJHJDVKRY-UHFFFAOYSA-N 1 0 314.429 4.029 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)c1cccc(C#N)c1 ZINC000540594331 1039521431 /nfs/dbraw/zinc/52/14/31/1039521431.db2.gz RCUPJTDVNHLCSL-IFXJQAMLSA-N 1 0 308.450 4.239 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000540606780 1039528696 /nfs/dbraw/zinc/52/86/96/1039528696.db2.gz PAWIQAMBTKISIM-ODCFSMADSA-N 1 0 306.409 4.162 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)Cc1cccs1 ZINC000540705147 1039544862 /nfs/dbraw/zinc/54/48/62/1039544862.db2.gz BFHNSQLFFAOWBA-OLZOCXBDSA-N 1 0 302.418 4.288 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000540702133 1039545696 /nfs/dbraw/zinc/54/56/96/1039545696.db2.gz RIKDHWACBCCLNR-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000540977103 1039598910 /nfs/dbraw/zinc/59/89/10/1039598910.db2.gz VHHMMCXDMNZDDU-AWEZNQCLSA-N 1 0 301.455 4.418 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000540968990 1039600761 /nfs/dbraw/zinc/60/07/61/1039600761.db2.gz HNQTZXYXDVOREQ-CYBMUJFWSA-N 1 0 305.443 4.401 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@@H]2C ZINC000540995112 1039608148 /nfs/dbraw/zinc/60/81/48/1039608148.db2.gz NPHGEPKSVYXNTK-LSDHHAIUSA-N 1 0 306.409 4.075 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000541281283 1039657319 /nfs/dbraw/zinc/65/73/19/1039657319.db2.gz DPUMWEXNKIHXOG-HXUWFJFHSA-N 1 0 308.400 4.099 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+]CC3CCCCCC3)CC2)cc1 ZINC000443551201 1039689902 /nfs/dbraw/zinc/68/99/02/1039689902.db2.gz QZAMNHIIBPHYJI-UHFFFAOYSA-N 1 0 311.473 4.087 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000541564898 1039700088 /nfs/dbraw/zinc/70/00/88/1039700088.db2.gz IKJLOIISBCXFJR-UGSOOPFHSA-N 1 0 314.385 4.394 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC000541554434 1039703884 /nfs/dbraw/zinc/70/38/84/1039703884.db2.gz FULPLKFLUMWUHY-UGSOOPFHSA-N 1 0 312.438 4.211 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000118394821 1039740647 /nfs/dbraw/zinc/74/06/47/1039740647.db2.gz UWINAZUZQZIGMQ-QGZVFWFLSA-N 1 0 319.452 4.220 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C#N)s1)CC3 ZINC000541846651 1039748670 /nfs/dbraw/zinc/74/86/70/1039748670.db2.gz FVYOLMHCXFZNAM-ZDUSSCGKSA-N 1 0 321.449 4.057 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC000158828016 1039763713 /nfs/dbraw/zinc/76/37/13/1039763713.db2.gz IGYSTQUCRUMYEZ-LJQANCHMSA-N 1 0 306.409 4.364 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cccc(OC(F)F)c1 ZINC000491330356 1039779444 /nfs/dbraw/zinc/77/94/44/1039779444.db2.gz SFJRBHINNGDWIG-UHFFFAOYSA-N 1 0 307.340 4.112 20 30 DIEDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000542124327 1039794273 /nfs/dbraw/zinc/79/42/73/1039794273.db2.gz XZJDMQXTZHABJD-OAHLLOKOSA-N 1 0 307.441 4.296 20 30 DIEDRO CC[N@H+](Cc1ccc2c(c1)ncn2C)[C@H](C)c1ccc(C#N)cc1 ZINC000271753181 1039806676 /nfs/dbraw/zinc/80/66/76/1039806676.db2.gz WJTPSFHAJXHVJP-OAHLLOKOSA-N 1 0 318.424 4.028 20 30 DIEDRO CCC(CC)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccs1 ZINC000480361292 1039812479 /nfs/dbraw/zinc/81/24/79/1039812479.db2.gz IQTWYBQOSYHHOQ-KRWDZBQOSA-N 1 0 301.459 4.225 20 30 DIEDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)CC2 ZINC000090665664 1039813341 /nfs/dbraw/zinc/81/33/41/1039813341.db2.gz WCBDGUMPLXKJKU-PZJWPPBQSA-N 1 0 320.436 4.187 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(C)nc2ccccc12 ZINC000491356870 1039836421 /nfs/dbraw/zinc/83/64/21/1039836421.db2.gz SEHDYPTYUPTSEW-UHFFFAOYSA-N 1 0 306.409 4.367 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(COCC)cc2)cc1 ZINC000151623331 1039844249 /nfs/dbraw/zinc/84/42/49/1039844249.db2.gz PMSDKAQJYBNKHT-KRWDZBQOSA-N 1 0 323.436 4.086 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271899940 1039871231 /nfs/dbraw/zinc/87/12/31/1039871231.db2.gz ABBZVDAPFONARI-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCc2nccs2)C(C)C)cc1 ZINC000093764084 1039905357 /nfs/dbraw/zinc/90/53/57/1039905357.db2.gz GITIHSUPXXXTFP-UHFFFAOYSA-N 1 0 316.470 4.161 20 30 DIEDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271933696 1039905768 /nfs/dbraw/zinc/90/57/68/1039905768.db2.gz JLCQMOJVCJKAJH-SCLBCKFNSA-N 1 0 310.372 4.099 20 30 DIEDRO C[C@H]([NH2+]C[C@H](C#N)CCC#N)C(c1ccccc1)c1ccccc1 ZINC000030531850 1039915499 /nfs/dbraw/zinc/91/54/99/1039915499.db2.gz VHTZMJPKAKVNLM-ROUUACIJSA-N 1 0 317.436 4.240 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000443967708 1039986950 /nfs/dbraw/zinc/98/69/50/1039986950.db2.gz PGUGLGDTBRUBEA-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(-c3cccnc3)cc2)ccc1C#N ZINC000443982280 1039992618 /nfs/dbraw/zinc/99/26/18/1039992618.db2.gz BHRXYIGSBXNSRV-UHFFFAOYSA-N 1 0 313.404 4.219 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccccc2OCC(C)C)ccc1C#N ZINC000443993754 1040001149 /nfs/dbraw/zinc/00/11/49/1040001149.db2.gz QQXFKCSZEHNHNO-UHFFFAOYSA-N 1 0 308.425 4.191 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](C)c1ccc(F)cc1 ZINC000685442318 1040048686 /nfs/dbraw/zinc/04/86/86/1040048686.db2.gz AIYZCRWQWYFPQL-HNNXBMFYSA-N 1 0 317.404 4.093 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(F)cc(Cl)c1 ZINC000685442355 1040048907 /nfs/dbraw/zinc/04/89/07/1040048907.db2.gz NZJNLTKLNWMHQR-UHFFFAOYSA-N 1 0 323.795 4.143 20 30 DIEDRO CC[N@H+](Cc1cccc(COC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000179201221 1040056795 /nfs/dbraw/zinc/05/67/95/1040056795.db2.gz HHGKRKCHMBTSPX-MRXNPFEDSA-N 1 0 308.425 4.288 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000685455822 1040059374 /nfs/dbraw/zinc/05/93/74/1040059374.db2.gz AAXYFKZNVQWLDU-UHFFFAOYSA-N 1 0 308.425 4.026 20 30 DIEDRO CO[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000611941990 1040104452 /nfs/dbraw/zinc/10/44/52/1040104452.db2.gz NVYZSOFAAYHQIO-FQEVSTJZSA-N 1 0 320.436 4.226 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000658028641 1040265572 /nfs/dbraw/zinc/26/55/72/1040265572.db2.gz KXKSBJAYLYKOBZ-MJQMVNBJSA-N 1 0 300.446 4.026 20 30 DIEDRO CC[NH+](CC)[C@H](C/N=C\c1cc(Cl)ccc1O)c1ccco1 ZINC000255631214 1040270797 /nfs/dbraw/zinc/27/07/97/1040270797.db2.gz OAGJCFSMDHRGSF-MXDDHBLUSA-N 1 0 320.820 4.141 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000658044944 1040279844 /nfs/dbraw/zinc/27/98/44/1040279844.db2.gz CUZOUOXJMWTMAT-OWYHZJEWSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000658061423 1040284178 /nfs/dbraw/zinc/28/41/78/1040284178.db2.gz TWEPLQDKZHQUBA-LESCRADOSA-N 1 0 312.461 4.132 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000658062134 1040285983 /nfs/dbraw/zinc/28/59/83/1040285983.db2.gz YHBFTDYTPINNAG-GUTXKFCHSA-N 1 0 300.402 4.319 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000658205025 1040355553 /nfs/dbraw/zinc/35/55/53/1040355553.db2.gz DKEAQSCTFPIKCN-AWEZNQCLSA-N 1 0 302.443 4.053 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000658209070 1040358708 /nfs/dbraw/zinc/35/87/08/1040358708.db2.gz BIUQVCWPRQBEBT-GFCCVEGCSA-N 1 0 322.499 4.423 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccc(C)cc32)cc1C#N ZINC000179360053 1040395655 /nfs/dbraw/zinc/39/56/55/1040395655.db2.gz NLSMSCLLBVLLOI-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)CCC2 ZINC000179361332 1040395823 /nfs/dbraw/zinc/39/58/23/1040395823.db2.gz WBUYLDYQYAUNQG-IERDGZPVSA-N 1 0 320.436 4.453 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)CCC2 ZINC000179361321 1040397635 /nfs/dbraw/zinc/39/76/35/1040397635.db2.gz WBUYLDYQYAUNQG-IIBYNOLFSA-N 1 0 320.436 4.453 20 30 DIEDRO CCCn1nc(C)c(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1C ZINC000179463147 1040465126 /nfs/dbraw/zinc/46/51/26/1040465126.db2.gz NXEGGJGCAWWIOL-MRXNPFEDSA-N 1 0 324.472 4.365 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179656681 1040520930 /nfs/dbraw/zinc/52/09/30/1040520930.db2.gz GBAAGRAORMZIJK-HNNXBMFYSA-N 1 0 319.408 4.022 20 30 DIEDRO C#CCCCCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000179763442 1040529092 /nfs/dbraw/zinc/52/90/92/1040529092.db2.gz VZILKAQZSPVALX-UHFFFAOYSA-N 1 0 312.457 4.051 20 30 DIEDRO Cc1cnc(CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 ZINC000364691163 1040555112 /nfs/dbraw/zinc/55/51/12/1040555112.db2.gz QSKLYRMYGIAGGA-HNNXBMFYSA-N 1 0 317.392 4.373 20 30 DIEDRO CCCN(Cc1csc(Cl)n1)Cc1ccc(C#N)cc1 ZINC000290155183 1040619224 /nfs/dbraw/zinc/61/92/24/1040619224.db2.gz XBLVSPUNQWTFHR-UHFFFAOYSA-N 1 0 305.834 4.080 20 30 DIEDRO Cc1ccc(COc2ccc(CNCC(C)(C)C#N)cc2)cc1 ZINC000612585279 1040647931 /nfs/dbraw/zinc/64/79/31/1040647931.db2.gz UULXVNAPWWFMPW-UHFFFAOYSA-N 1 0 308.425 4.213 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)s1 ZINC000180015615 1040694374 /nfs/dbraw/zinc/69/43/74/1040694374.db2.gz OMWHPXWJEIGJJO-AWEZNQCLSA-N 1 0 314.479 4.234 20 30 DIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000177745043 1040766436 /nfs/dbraw/zinc/76/64/36/1040766436.db2.gz JSAXHVNVQNXHDD-RTWAWAEBSA-N 1 0 320.436 4.113 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000661378281 1040770582 /nfs/dbraw/zinc/77/05/82/1040770582.db2.gz BPBAYMIXQACQCU-OLZOCXBDSA-N 1 0 303.431 4.147 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000613255233 1040843758 /nfs/dbraw/zinc/84/37/58/1040843758.db2.gz KNMPNKASWUNUQA-OZOXKJRCSA-N 1 0 320.436 4.457 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000178054184 1040888221 /nfs/dbraw/zinc/88/82/21/1040888221.db2.gz MAFVICOVEVKGCN-LBPRGKRZSA-N 1 0 302.418 4.322 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1OC(F)F ZINC000414160079 1040934144 /nfs/dbraw/zinc/93/41/44/1040934144.db2.gz CGBCLIAJHZGYFA-JTQLQIEISA-N 1 0 300.324 4.018 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000414160169 1040934721 /nfs/dbraw/zinc/93/47/21/1040934721.db2.gz XLLYGGDLNBLNSQ-KGLIPLIRSA-N 1 0 312.388 4.426 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+]CC(C)(C)CC#N)c(C)c2c1 ZINC000414160716 1040942687 /nfs/dbraw/zinc/94/26/87/1040942687.db2.gz DKDKMXKSZIQXAT-ZDUSSCGKSA-N 1 0 300.402 4.340 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCc2c1ccc(OC)c2F)c1ccncc1 ZINC000808696261 1041007300 /nfs/dbraw/zinc/00/73/00/1041007300.db2.gz OCJYKZCFFSFMPS-IRXDYDNUSA-N 1 0 312.388 4.124 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCc2c1ccc(OC)c2F)c1ccncc1 ZINC000808696263 1041008919 /nfs/dbraw/zinc/00/89/19/1041008919.db2.gz OCJYKZCFFSFMPS-SJORKVTESA-N 1 0 312.388 4.124 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(OC(F)(F)F)c1 ZINC001143467993 1041042875 /nfs/dbraw/zinc/04/28/75/1041042875.db2.gz AERHIHAZXUREQA-CYBMUJFWSA-N 1 0 312.335 4.019 20 30 DIEDRO COCCC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000180221344 1041047744 /nfs/dbraw/zinc/04/77/44/1041047744.db2.gz DRQPXXVOUROJHF-MRXNPFEDSA-N 1 0 308.425 4.130 20 30 DIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)CC(F)(F)F ZINC000414245508 1041048580 /nfs/dbraw/zinc/04/85/80/1041048580.db2.gz BNUHNZDICJQICK-MNOVXSKESA-N 1 0 302.315 4.327 20 30 DIEDRO CC[N@H+](CCCCCn1cc(C)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170884473 1041074259 /nfs/dbraw/zinc/07/42/59/1041074259.db2.gz CCBWAMIMTWTWMV-SFHVURJKSA-N 1 0 324.472 4.317 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000414299014 1041095534 /nfs/dbraw/zinc/09/55/34/1041095534.db2.gz JDAXGRWYCSNYNC-ZCNNSNEGSA-N 1 0 323.484 4.223 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)CCC2 ZINC000180553575 1041168881 /nfs/dbraw/zinc/16/88/81/1041168881.db2.gz PYKHVHAHKYQIMG-HXUWFJFHSA-N 1 0 306.409 4.065 20 30 DIEDRO CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000180548782 1041169193 /nfs/dbraw/zinc/16/91/93/1041169193.db2.gz XEPDIPQPOWEXTR-MRXNPFEDSA-N 1 0 308.425 4.392 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C(C)(C)c1ccccc1 ZINC000180549480 1041169225 /nfs/dbraw/zinc/16/92/25/1041169225.db2.gz DZTUSWHASQEREW-MRXNPFEDSA-N 1 0 308.425 4.045 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000809550027 1041192164 /nfs/dbraw/zinc/19/21/64/1041192164.db2.gz CNMUPMMXMDCPCH-UHFFFAOYSA-N 1 0 317.432 4.071 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000809556569 1041193011 /nfs/dbraw/zinc/19/30/11/1041193011.db2.gz IQSIPEDBHLSLQL-UHFFFAOYSA-N 1 0 311.450 4.030 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000809612066 1041193888 /nfs/dbraw/zinc/19/38/88/1041193888.db2.gz VVJYOFVKLSHEKX-UHFFFAOYSA-N 1 0 305.352 4.357 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@@H]2CCCc3nc(CC)sc32)cc1 ZINC000809586020 1041197169 /nfs/dbraw/zinc/19/71/69/1041197169.db2.gz GKYBXELJQUKQBH-QGZVFWFLSA-N 1 0 310.466 4.196 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc1 ZINC000809602252 1041201157 /nfs/dbraw/zinc/20/11/57/1041201157.db2.gz LFOUPPPCDJLTGX-ZDUSSCGKSA-N 1 0 314.226 4.281 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)cc1 ZINC000809604557 1041204931 /nfs/dbraw/zinc/20/49/31/1041204931.db2.gz VWPPQURMIMQGIC-ZDUSSCGKSA-N 1 0 301.336 4.120 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000809628276 1041207004 /nfs/dbraw/zinc/20/70/04/1041207004.db2.gz GLSUZQYDQQWZIS-KRWDZBQOSA-N 1 0 304.437 4.119 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)cc1 ZINC000809633162 1041207043 /nfs/dbraw/zinc/20/70/43/1041207043.db2.gz GLLFRESMJGUQTK-UHFFFAOYSA-N 1 0 314.388 4.145 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)cc1 ZINC000809656593 1041212242 /nfs/dbraw/zinc/21/22/42/1041212242.db2.gz GMBQRRUWVFLECM-UHFFFAOYSA-N 1 0 305.352 4.357 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)C1CCSCC1)c1ccc(Cl)cc1F ZINC000809699538 1041219284 /nfs/dbraw/zinc/21/92/84/1041219284.db2.gz POWALLXMGACZAR-BDJLRTHQSA-N 1 0 311.853 4.275 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)ccc1O ZINC000809704540 1041227467 /nfs/dbraw/zinc/22/74/67/1041227467.db2.gz FUIBCHCPFLYKQB-UHFFFAOYSA-N 1 0 313.445 4.056 20 30 DIEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000177089235 1041237899 /nfs/dbraw/zinc/23/78/99/1041237899.db2.gz IAQUEBJIQGZZDZ-OAHLLOKOSA-N 1 0 316.857 4.028 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000809757607 1041248553 /nfs/dbraw/zinc/24/85/53/1041248553.db2.gz PZGWHJFFTGTPCE-LJQANCHMSA-N 1 0 307.441 4.125 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C)C(C)(C)C ZINC000809781210 1041254845 /nfs/dbraw/zinc/25/48/45/1041254845.db2.gz JFPPOODMUAFYBI-YJBOKZPZSA-N 1 0 314.473 4.165 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C)C(C)(C)C ZINC000809781682 1041255126 /nfs/dbraw/zinc/25/51/26/1041255126.db2.gz XOKGINIPGJHWAK-CZUORRHYSA-N 1 0 320.864 4.003 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C)C(C)(C)C ZINC000809781209 1041255298 /nfs/dbraw/zinc/25/52/98/1041255298.db2.gz JFPPOODMUAFYBI-QAPCUYQASA-N 1 0 314.473 4.165 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181270741 1041260839 /nfs/dbraw/zinc/26/08/39/1041260839.db2.gz JXLUVLKEFBODDC-OAHLLOKOSA-N 1 0 304.434 4.264 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1cccc(OC)c1OC ZINC000926794855 1041266777 /nfs/dbraw/zinc/26/67/77/1041266777.db2.gz NNBWDVKJNVAKOI-DZGCQCFKSA-N 1 0 304.434 4.073 20 30 DIEDRO C=CCOCc1nn([C@H](CC)CCCCCC)c2c1C[NH2+]C2 ZINC001170591728 1041282487 /nfs/dbraw/zinc/28/24/87/1041282487.db2.gz FDGWENZTPAJYNP-OAHLLOKOSA-N 1 0 305.466 4.110 20 30 DIEDRO C[C@H](Nc1cc(-c2ccncc2)ccn1)c1cccc(C#N)c1 ZINC001167708552 1041295473 /nfs/dbraw/zinc/29/54/73/1041295473.db2.gz HJBWDFDIYUWQAG-AWEZNQCLSA-N 1 0 300.365 4.188 20 30 DIEDRO C=C(Cl)CN(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000756061504 1041296304 /nfs/dbraw/zinc/29/63/04/1041296304.db2.gz JEJDISWHEGOVPB-OAHLLOKOSA-N 1 0 307.846 4.036 20 30 DIEDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C)c1cccc(C#N)c1 ZINC001167709946 1041314967 /nfs/dbraw/zinc/31/49/67/1041314967.db2.gz CABZJFBYNSYTTR-INIZCTEOSA-N 1 0 308.449 4.328 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)c1 ZINC000810144461 1041320853 /nfs/dbraw/zinc/32/08/53/1041320853.db2.gz ABJLRVJHWCLSFG-KFKAGJAMSA-N 1 0 312.457 4.450 20 30 DIEDRO C=CCCCCCCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000810160820 1041329118 /nfs/dbraw/zinc/32/91/18/1041329118.db2.gz VDUZCQMUYHZBIX-UHFFFAOYSA-N 1 0 314.473 4.212 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000810212521 1041338656 /nfs/dbraw/zinc/33/86/56/1041338656.db2.gz SPZWDJISHCTWOW-DJJJIMSYSA-N 1 0 310.828 4.420 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415573844 1041464469 /nfs/dbraw/zinc/46/44/69/1041464469.db2.gz CQQGIXOXDZLNNU-IBGZPJMESA-N 1 0 317.477 4.033 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)c2cccc(F)c2)cc1 ZINC000728711496 1041471164 /nfs/dbraw/zinc/47/11/64/1041471164.db2.gz BDQPSXAVPVGGMR-HUUCEWRRSA-N 1 0 312.388 4.010 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1OC ZINC000728712047 1041478696 /nfs/dbraw/zinc/47/86/96/1041478696.db2.gz WQHSPGWUNXCKEG-BEFAXECRSA-N 1 0 324.424 4.227 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000728711789 1041479079 /nfs/dbraw/zinc/47/90/79/1041479079.db2.gz JKSSYFHRANQPIG-TZMCWYRMSA-N 1 0 300.427 4.198 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cc3ccccc3s2)cc1 ZINC000728712050 1041479380 /nfs/dbraw/zinc/47/93/80/1041479380.db2.gz UGGYXGIRWUCONB-CQSZACIVSA-N 1 0 322.433 4.482 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000769815563 1041482330 /nfs/dbraw/zinc/48/23/30/1041482330.db2.gz RGRPWZAHRFVHRQ-OAHLLOKOSA-N 1 0 307.865 4.368 20 30 DIEDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000365733795 1041494260 /nfs/dbraw/zinc/49/42/60/1041494260.db2.gz JBAKIPVQQMZRMB-QHAWAJNXSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(F)cc1C#N ZINC001170639551 1041546448 /nfs/dbraw/zinc/54/64/48/1041546448.db2.gz QGKNKXSICKJGJY-SXGZJXTBSA-N 1 0 308.400 4.464 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccnc(OC)c1F)c1ccccc1 ZINC000893192259 1041547748 /nfs/dbraw/zinc/54/77/48/1041547748.db2.gz SRHJTWXDWGIFGI-INIZCTEOSA-N 1 0 300.377 4.026 20 30 DIEDRO C[N@H+](Cc1ccccc1)C1CCC(=NOC/C=C/Cl)CC1 ZINC000811669401 1041552470 /nfs/dbraw/zinc/55/24/70/1041552470.db2.gz DOQOPXDBLMFESY-SLEUQVBISA-N 1 0 306.837 4.186 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1 ZINC000893238704 1041572116 /nfs/dbraw/zinc/57/21/16/1041572116.db2.gz ORUVNHDZCAEBSJ-AWEZNQCLSA-N 1 0 324.371 4.102 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001170650701 1041583346 /nfs/dbraw/zinc/58/33/46/1041583346.db2.gz PPZNYIPKZOQUME-VCBZYWHSSA-N 1 0 308.400 4.464 20 30 DIEDRO C=Cc1ccc(CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000812772546 1041645337 /nfs/dbraw/zinc/64/53/37/1041645337.db2.gz GUWOJIVAMVESIH-UHFFFAOYSA-N 1 0 319.452 4.012 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417373250 1041664003 /nfs/dbraw/zinc/66/40/03/1041664003.db2.gz XAJCBXNFBXTRCJ-VQTJNVASSA-N 1 0 305.425 4.318 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000417374373 1041665481 /nfs/dbraw/zinc/66/54/81/1041665481.db2.gz YCTFEVGBUMSOPZ-SFTDATJTSA-N 1 0 317.436 4.462 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000747871936 1041727974 /nfs/dbraw/zinc/72/79/74/1041727974.db2.gz NWTSGFKZCLPWJA-CVEARBPZSA-N 1 0 314.256 4.361 20 30 DIEDRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC1(C#N)CCC1 ZINC000418142677 1041729751 /nfs/dbraw/zinc/72/97/51/1041729751.db2.gz NLAXYJXKJUPLPR-LCYFTJDESA-N 1 0 308.347 4.392 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccncc1 ZINC000756585812 1041763167 /nfs/dbraw/zinc/76/31/67/1041763167.db2.gz YZKMUONIOHBKAH-WBMJQRKESA-N 1 0 302.805 4.409 20 30 DIEDRO COc1cccc(C2(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)c1 ZINC000566670895 1041771389 /nfs/dbraw/zinc/77/13/89/1041771389.db2.gz GJUYQPOLNIIJBH-AWEZNQCLSA-N 1 0 324.399 4.088 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC001627166777 1041799442 /nfs/dbraw/zinc/79/94/42/1041799442.db2.gz VOZKHPNQHSLZPW-OAHLLOKOSA-N 1 0 320.502 4.332 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)cc1 ZINC000814297282 1041801769 /nfs/dbraw/zinc/80/17/69/1041801769.db2.gz FCISMXACXPVWHO-KKSFZXQISA-N 1 0 320.436 4.261 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)C(C)(C)C)cc1 ZINC000814298562 1041807276 /nfs/dbraw/zinc/80/72/76/1041807276.db2.gz WXLKDXGTSSICST-UHFFFAOYSA-N 1 0 301.478 4.198 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC000814300184 1041807543 /nfs/dbraw/zinc/80/75/43/1041807543.db2.gz JOGQJNFDCUKNRB-LSBZLQRGSA-N 1 0 324.399 4.152 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1(C)C ZINC000759923421 1041841402 /nfs/dbraw/zinc/84/14/02/1041841402.db2.gz QOPCBDIQABHJSF-ZDUSSCGKSA-N 1 0 306.837 4.110 20 30 DIEDRO CCCCCCCC[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000814655725 1041845962 /nfs/dbraw/zinc/84/59/62/1041845962.db2.gz VWTDOAJKIQQUMG-GFCCVEGCSA-N 1 0 314.271 4.250 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000814640309 1041846957 /nfs/dbraw/zinc/84/69/57/1041846957.db2.gz BDPKCAUMFYOWDS-FQEVSTJZSA-N 1 0 320.436 4.141 20 30 DIEDRO CC(=NNc1ccccc1Cl)c1ccc(C[NH+](C)C)cc1 ZINC000814690886 1041854514 /nfs/dbraw/zinc/85/45/14/1041854514.db2.gz CSLPRJILYFOGMN-UHFFFAOYSA-N 1 0 301.821 4.238 20 30 DIEDRO CC(=NNc1cccc2ncccc21)c1ccc(C[NH+](C)C)cc1 ZINC000814804350 1041871635 /nfs/dbraw/zinc/87/16/35/1041871635.db2.gz LCTMCBDNOYAKFY-UHFFFAOYSA-N 1 0 318.424 4.133 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000651670447 1041874024 /nfs/dbraw/zinc/87/40/24/1041874024.db2.gz JLEMCYKPTOUITJ-CRAIPNDOSA-N 1 0 324.424 4.366 20 30 DIEDRO CC(=NNc1cc(F)c(F)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000814863821 1041878879 /nfs/dbraw/zinc/87/88/79/1041878879.db2.gz DKYKCFJSCLHPRI-UHFFFAOYSA-N 1 0 321.346 4.002 20 30 DIEDRO CC(N=Nc1c(Cl)cc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC000814891028 1041885016 /nfs/dbraw/zinc/88/50/16/1041885016.db2.gz LGRHJVJQELZXPZ-UHFFFAOYSA-N 1 0 318.223 4.262 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421856223 1041886782 /nfs/dbraw/zinc/88/67/82/1041886782.db2.gz NXLPWYNNKBNXBV-PZJWPPBQSA-N 1 0 319.452 4.354 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000651707405 1041886834 /nfs/dbraw/zinc/88/68/34/1041886834.db2.gz LACGJLMFXZDNNE-WMLDXEAASA-N 1 0 314.404 4.358 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000661114825 1041888436 /nfs/dbraw/zinc/88/84/36/1041888436.db2.gz MTTDVVSYVNWQPK-HOCLYGCPSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cccs2)no1 ZINC000661119528 1041890074 /nfs/dbraw/zinc/89/00/74/1041890074.db2.gz UYKCNYZIHJRYCV-QWHCGFSZSA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000651718891 1041892525 /nfs/dbraw/zinc/89/25/25/1041892525.db2.gz CDTGMQFIAITAHJ-VUHPKUFZSA-N 1 0 318.530 4.465 20 30 DIEDRO CC(N=Nc1ccc(F)c(F)c1F)c1ccc(C[NH+](C)C)cc1 ZINC000814945939 1041896191 /nfs/dbraw/zinc/89/61/91/1041896191.db2.gz XRHGZIUCFUAWJT-UHFFFAOYSA-N 1 0 321.346 4.002 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000651744972 1041902468 /nfs/dbraw/zinc/90/24/68/1041902468.db2.gz WGYFFDVQNAKEPU-INMHGKMJSA-N 1 0 311.429 4.175 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C1 ZINC000651752860 1041904296 /nfs/dbraw/zinc/90/42/96/1041904296.db2.gz XCSWEUVQXMEOQV-CABCVRRESA-N 1 0 313.470 4.082 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)C1 ZINC000651767351 1041906758 /nfs/dbraw/zinc/90/67/58/1041906758.db2.gz QTRLALUZAUESRG-ZENOOKHLSA-N 1 0 315.392 4.271 20 30 DIEDRO CC(C)(C)c1csc(C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000815031976 1041906855 /nfs/dbraw/zinc/90/68/55/1041906855.db2.gz MFSMQYICNSMDPZ-ZFWWWQNUSA-N 1 0 317.502 4.312 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(C3CCC3)cc2)cc1 ZINC000815123343 1041915886 /nfs/dbraw/zinc/91/58/86/1041915886.db2.gz CJXLTAXGEQYHFK-UHFFFAOYSA-N 1 0 306.409 4.146 20 30 DIEDRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000815150842 1041928026 /nfs/dbraw/zinc/92/80/26/1041928026.db2.gz FURROJQYMCKISA-MRXNPFEDSA-N 1 0 308.425 4.311 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199928 1041929104 /nfs/dbraw/zinc/92/91/04/1041929104.db2.gz FFMCQNITECEOEI-SJORKVTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000661381017 1041929368 /nfs/dbraw/zinc/92/93/68/1041929368.db2.gz SXRLDILULXFKRQ-RDJZCZTQSA-N 1 0 311.429 4.010 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378534 1041929950 /nfs/dbraw/zinc/92/99/50/1041929950.db2.gz IGMXRVDSMVNOQU-HZPDHXFCSA-N 1 0 311.429 4.394 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815201358 1041934060 /nfs/dbraw/zinc/93/40/60/1041934060.db2.gz LHRQXWOKKOQRGY-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC001649144731 1041949347 /nfs/dbraw/zinc/94/93/47/1041949347.db2.gz KFGAMERYWMYJIP-SJLPKXTDSA-N 1 0 310.441 4.338 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC001649144730 1041949547 /nfs/dbraw/zinc/94/95/47/1041949547.db2.gz KFGAMERYWMYJIP-FUHWJXTLSA-N 1 0 310.441 4.338 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000278846070 1041951127 /nfs/dbraw/zinc/95/11/27/1041951127.db2.gz VDRAJEPTDOCEER-GUYCJALGSA-N 1 0 309.369 4.268 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cc1 ZINC000236738411 1041967706 /nfs/dbraw/zinc/96/77/06/1041967706.db2.gz NCPXFAMNYAKGPH-QGZVFWFLSA-N 1 0 323.436 4.337 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000815599558 1041970895 /nfs/dbraw/zinc/97/08/95/1041970895.db2.gz VZYZRRMGLBEEKX-PMACEKPBSA-N 1 0 321.420 4.279 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000815630427 1041978836 /nfs/dbraw/zinc/97/88/36/1041978836.db2.gz JRDBIUCPRUAFPT-IIBYNOLFSA-N 1 0 320.436 4.433 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000815638117 1041981517 /nfs/dbraw/zinc/98/15/17/1041981517.db2.gz OJJDWLFENBWKFJ-GOSISDBHSA-N 1 0 316.489 4.138 20 30 DIEDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000815635568 1041981784 /nfs/dbraw/zinc/98/17/84/1041981784.db2.gz FRCGKXSWDJRLMV-BEFAXECRSA-N 1 0 324.424 4.487 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CC)C(C)(C)O)cc1 ZINC000815652354 1041985345 /nfs/dbraw/zinc/98/53/45/1041985345.db2.gz ZFCDDTPAKCKDIX-BBRMVZONSA-N 1 0 311.853 4.018 20 30 DIEDRO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)C(C)(C)C ZINC000661755422 1041990412 /nfs/dbraw/zinc/99/04/12/1041990412.db2.gz QISIOTIEWGPJKK-UHFFFAOYSA-N 1 0 305.447 4.017 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)C(C)(C)C ZINC000661755659 1041990625 /nfs/dbraw/zinc/99/06/25/1041990625.db2.gz XEIKNPXOTHDFDK-UHFFFAOYSA-N 1 0 302.462 4.036 20 30 DIEDRO C=CCC1([NH2+]Cc2sc(C)nc2C(F)(F)F)CCCC1 ZINC000661850943 1042005793 /nfs/dbraw/zinc/00/57/93/1042005793.db2.gz BIKIXABXGSGDBO-UHFFFAOYSA-N 1 0 304.381 4.449 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)CCCC1 ZINC000661861476 1042007138 /nfs/dbraw/zinc/00/71/38/1042007138.db2.gz BCQDTFZQPVMSNV-UHFFFAOYSA-N 1 0 300.446 4.029 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCOc2ccccc2)cc1 ZINC001170812011 1042026897 /nfs/dbraw/zinc/02/68/97/1042026897.db2.gz NSSQHNADMRKYMK-HXUWFJFHSA-N 1 0 308.425 4.458 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cc1 ZINC000236775567 1042056251 /nfs/dbraw/zinc/05/62/51/1042056251.db2.gz HZEUHFPVVNMCHG-KRWDZBQOSA-N 1 0 323.436 4.337 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2ccccc2Cl)o1 ZINC000662081681 1042057804 /nfs/dbraw/zinc/05/78/04/1042057804.db2.gz QVLFLBDHADLTLW-BETUJISGSA-N 1 0 315.804 4.073 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000093872514 1042078554 /nfs/dbraw/zinc/07/85/54/1042078554.db2.gz UVEZMEZDKRKIEY-FPOVZHCZSA-N 1 0 315.420 4.440 20 30 DIEDRO CCCCCCC[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000759935342 1042094160 /nfs/dbraw/zinc/09/41/60/1042094160.db2.gz KFEXIPHOWHQGNA-QGZVFWFLSA-N 1 0 301.434 4.222 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000024665347 1042105104 /nfs/dbraw/zinc/10/51/04/1042105104.db2.gz RQDWGMXRDSSHER-QGZVFWFLSA-N 1 0 317.392 4.079 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)c(F)c1 ZINC000817575264 1042114940 /nfs/dbraw/zinc/11/49/40/1042114940.db2.gz GRMDXAOCSKEERN-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)c1 ZINC000817590552 1042120084 /nfs/dbraw/zinc/12/00/84/1042120084.db2.gz YHBNWZKHNQHISE-FQEVSTJZSA-N 1 0 309.384 4.057 20 30 DIEDRO CCCCCCCCCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000818001538 1042133699 /nfs/dbraw/zinc/13/36/99/1042133699.db2.gz LTDWNNRQRQCUBR-ZWKOTPCHSA-N 1 0 308.510 4.118 20 30 DIEDRO CC[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000568498472 1042134237 /nfs/dbraw/zinc/13/42/37/1042134237.db2.gz VCFIDZIZCXSWHH-SFHVURJKSA-N 1 0 300.352 4.120 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000818170040 1042142651 /nfs/dbraw/zinc/14/26/51/1042142651.db2.gz KXESTAKAKSBJCV-LJQANCHMSA-N 1 0 308.510 4.071 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(Cl)c2C1)c1ccc(C#N)cc1 ZINC001170894994 1042149746 /nfs/dbraw/zinc/14/97/46/1042149746.db2.gz QCFABKMGSQWMOG-CXAGYDPISA-N 1 0 310.828 4.420 20 30 DIEDRO C=C(CC(C)C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001136163971 1042159719 /nfs/dbraw/zinc/15/97/19/1042159719.db2.gz CDFACGLDODZLKX-INIZCTEOSA-N 1 0 314.473 4.459 20 30 DIEDRO C=CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)(C)C ZINC000661756483 1042167864 /nfs/dbraw/zinc/16/78/64/1042167864.db2.gz QHSQFAOVJAQXCX-UHFFFAOYSA-N 1 0 315.244 4.218 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819210740 1042175511 /nfs/dbraw/zinc/17/55/11/1042175511.db2.gz JLSQSMDFWYQSQK-SWLSCSKDSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CC1(CC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC001136263011 1042195872 /nfs/dbraw/zinc/19/58/72/1042195872.db2.gz ARWOCGTUQWKLHR-GOSISDBHSA-N 1 0 320.521 4.141 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000820200954 1042208810 /nfs/dbraw/zinc/20/88/10/1042208810.db2.gz SZVNNVNJKCZCQA-INIZCTEOSA-N 1 0 308.510 4.116 20 30 DIEDRO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(C#N)c1 ZINC000066971937 1042211425 /nfs/dbraw/zinc/21/14/25/1042211425.db2.gz ZMMDHEQPTQTFQB-UHFFFAOYSA-N 1 0 321.207 4.163 20 30 DIEDRO N#Cc1c(Cl)c(Cl)ccc1Nc1cccc2c1CC[NH2+]C2 ZINC001159853589 1042233512 /nfs/dbraw/zinc/23/35/12/1042233512.db2.gz HGIRUDDDBPSCFF-UHFFFAOYSA-N 1 0 318.207 4.254 20 30 DIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2sccc2Cl)c1 ZINC000821017047 1042237938 /nfs/dbraw/zinc/23/79/38/1042237938.db2.gz BNDIPBKEFOATJI-SREVYHEPSA-N 1 0 305.830 4.359 20 30 DIEDRO CC(C)Oc1ccc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000821017380 1042237991 /nfs/dbraw/zinc/23/79/91/1042237991.db2.gz GTPOZOXSBJVUAH-JLHYYAGUSA-N 1 0 323.436 4.432 20 30 DIEDRO CCOc1ccccc1/C=C\C(=O)c1cccc(C[NH+](C)C)c1 ZINC000821021621 1042238537 /nfs/dbraw/zinc/23/85/37/1042238537.db2.gz JLXVYYPZHZXANJ-SEYXRHQNSA-N 1 0 309.409 4.043 20 30 DIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)c1 ZINC000821022569 1042239333 /nfs/dbraw/zinc/23/93/33/1042239333.db2.gz SINRPUNLOXITOS-SREVYHEPSA-N 1 0 319.326 4.062 20 30 DIEDRO N#CCCCC[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000585754279 1042242212 /nfs/dbraw/zinc/24/22/12/1042242212.db2.gz DUTJYPUAMCAIKN-UHFFFAOYSA-N 1 0 310.466 4.411 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000585764845 1042245475 /nfs/dbraw/zinc/24/54/75/1042245475.db2.gz QPGSRPUVZXBPIO-IALDWUNLSA-N 1 0 320.436 4.410 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc2ccc(F)c(F)c2n1)c1ccccc1 ZINC000821219558 1042245731 /nfs/dbraw/zinc/24/57/31/1042245731.db2.gz JFMTVAWHXJRYBD-SFHVURJKSA-N 1 0 322.358 4.367 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC001136428243 1042245872 /nfs/dbraw/zinc/24/58/72/1042245872.db2.gz QPYLEIAACXPLOO-INIZCTEOSA-N 1 0 322.452 4.010 20 30 DIEDRO C=CC[N@H+](Cc1ccc(F)c(Br)c1)C(C)(C)C ZINC001137559462 1042259388 /nfs/dbraw/zinc/25/93/88/1042259388.db2.gz UGQPKQHYCMRWGZ-UHFFFAOYSA-N 1 0 300.215 4.375 20 30 DIEDRO N#C[C@H]1CC[C@H](Nc2ccc(SC3CC[NH2+]CC3)cc2)CC1 ZINC001167847248 1042269189 /nfs/dbraw/zinc/26/91/89/1042269189.db2.gz IITXSDMPKVSXBP-SHTZXODSSA-N 1 0 315.486 4.025 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)C1 ZINC000618562549 1042273178 /nfs/dbraw/zinc/27/31/78/1042273178.db2.gz FLCFOIDQPVUQOG-QFBILLFUSA-N 1 0 324.424 4.168 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000772858729 1042283928 /nfs/dbraw/zinc/28/39/28/1042283928.db2.gz VQRQDTCNNNZDAY-RBUKOAKNSA-N 1 0 317.379 4.295 20 30 DIEDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000822456815 1042286687 /nfs/dbraw/zinc/28/66/87/1042286687.db2.gz VBJYTXDVVSTQIV-DOTOQJQBSA-N 1 0 314.479 4.270 20 30 DIEDRO C=CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1cccc(C#N)c1 ZINC000822593141 1042295261 /nfs/dbraw/zinc/29/52/61/1042295261.db2.gz SFBHONBFJZHQNP-OAHLLOKOSA-N 1 0 309.240 4.130 20 30 DIEDRO C[C@H]1c2ccccc2OCCN1CC#Cc1cccc(Cl)c1 ZINC001167867839 1042309982 /nfs/dbraw/zinc/30/99/82/1042309982.db2.gz LOFOJAZKGSADMV-HNNXBMFYSA-N 1 0 311.812 4.147 20 30 DIEDRO N#CCCCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000092745828 1042321733 /nfs/dbraw/zinc/32/17/33/1042321733.db2.gz GAKWHORTFZFCTQ-HNNXBMFYSA-N 1 0 307.235 4.110 20 30 DIEDRO CCN(CCC#N)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823395224 1042324441 /nfs/dbraw/zinc/32/44/41/1042324441.db2.gz PHEWLUALLZCWBM-UHFFFAOYSA-N 1 0 313.470 4.120 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000436282626 1042325816 /nfs/dbraw/zinc/32/58/16/1042325816.db2.gz HUWUSQDWAYTSFD-LWQJKRBBSA-N 1 0 319.411 4.314 20 30 DIEDRO C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)cc1F ZINC000753763237 1042328609 /nfs/dbraw/zinc/32/86/09/1042328609.db2.gz NKUQQXUSKQYVSO-ZBEGNZNMSA-N 1 0 314.791 4.169 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2cnn(CC(F)(F)F)c2)CCCC1(C)C ZINC000446857089 1042330561 /nfs/dbraw/zinc/33/05/61/1042330561.db2.gz SCVFVICYCKCDES-AWEZNQCLSA-N 1 0 315.383 4.012 20 30 DIEDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000823643774 1042336082 /nfs/dbraw/zinc/33/60/82/1042336082.db2.gz RUTFNAVZMPLZCW-VQTJNVASSA-N 1 0 320.436 4.065 20 30 DIEDRO Cc1ccc(-c2ncc(CN(CCC#N)CC3CC3)s2)cc1 ZINC000093091614 1042358555 /nfs/dbraw/zinc/35/85/55/1042358555.db2.gz BVWAGAHCJQRSOA-UHFFFAOYSA-N 1 0 311.454 4.244 20 30 DIEDRO C=C1CCC(C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000724443929 1042366491 /nfs/dbraw/zinc/36/64/91/1042366491.db2.gz ZKOQWZSMNUDLOM-QGZVFWFLSA-N 1 0 324.509 4.119 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000236738154 1042371716 /nfs/dbraw/zinc/37/17/16/1042371716.db2.gz WXECLTQGTLFEIY-OXQOHEQNSA-N 1 0 308.425 4.464 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000236718665 1042371802 /nfs/dbraw/zinc/37/18/02/1042371802.db2.gz DERQPSPCPWQRQM-INIZCTEOSA-N 1 0 324.424 4.054 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000237504659 1042376185 /nfs/dbraw/zinc/37/61/85/1042376185.db2.gz ANHXVCVQMXSMES-SNVBAGLBSA-N 1 0 312.360 4.493 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000236894803 1042379090 /nfs/dbraw/zinc/37/90/90/1042379090.db2.gz OKRJOXREXAAPAS-FXAWDEMLSA-N 1 0 322.452 4.478 20 30 DIEDRO CCCCCCCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001167911755 1042404720 /nfs/dbraw/zinc/40/47/20/1042404720.db2.gz JXGZQUPZEDCXGW-UHFFFAOYSA-N 1 0 312.498 4.336 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453218680 1042408357 /nfs/dbraw/zinc/40/83/57/1042408357.db2.gz KSYTYHYCDQPZAB-IUODEOHRSA-N 1 0 312.413 4.237 20 30 DIEDRO C#CCOc1ccc(CNc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000236932167 1042414044 /nfs/dbraw/zinc/41/40/44/1042414044.db2.gz VPLHCTHPWKHPBW-UHFFFAOYSA-N 1 0 322.452 4.153 20 30 DIEDRO CC(C)COC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160599 1042418157 /nfs/dbraw/zinc/41/81/57/1042418157.db2.gz LDUNIEJYDPFBDM-UHFFFAOYSA-N 1 0 314.473 4.125 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000614171133 1042420789 /nfs/dbraw/zinc/42/07/89/1042420789.db2.gz DKMFLPMIKRWRJG-ZWKOTPCHSA-N 1 0 314.498 4.348 20 30 DIEDRO CS[C@H]1CCCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176288 1042421750 /nfs/dbraw/zinc/42/17/50/1042421750.db2.gz TXMBAXZFFNUIOB-KRWDZBQOSA-N 1 0 302.487 4.205 20 30 DIEDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178511 1042422218 /nfs/dbraw/zinc/42/22/18/1042422218.db2.gz IULKSNLXEBDMFX-LJQANCHMSA-N 1 0 307.441 4.466 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614180163 1042422362 /nfs/dbraw/zinc/42/23/62/1042422362.db2.gz ZKTGKIOHSRYQJH-OAHLLOKOSA-N 1 0 308.425 4.347 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000614176863 1042423498 /nfs/dbraw/zinc/42/34/98/1042423498.db2.gz AJERBNCBFWWCBP-UHFFFAOYSA-N 1 0 308.347 4.182 20 30 DIEDRO COc1cccc2c1CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000614182241 1042424265 /nfs/dbraw/zinc/42/42/65/1042424265.db2.gz JNEQCYKBYATYLY-UHFFFAOYSA-N 1 0 320.436 4.055 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1c(C)noc1C ZINC000614185056 1042424995 /nfs/dbraw/zinc/42/49/95/1042424995.db2.gz JTHSSVFQEXNINV-QGZVFWFLSA-N 1 0 311.429 4.334 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)c(OC(C)(C)C)c1 ZINC000150971728 1042460653 /nfs/dbraw/zinc/46/06/53/1042460653.db2.gz QDPOTOZKLRHQDE-UHFFFAOYSA-N 1 0 314.454 4.395 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419329023 1042470875 /nfs/dbraw/zinc/47/08/75/1042470875.db2.gz GEOLRZVIZQELLX-DLBZAZTESA-N 1 0 306.494 4.234 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000614400605 1042491526 /nfs/dbraw/zinc/49/15/26/1042491526.db2.gz ATVAHPKKZCWKOU-LJQANCHMSA-N 1 0 308.450 4.157 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000614403118 1042491561 /nfs/dbraw/zinc/49/15/61/1042491561.db2.gz FFLTWACPUHYNBH-UHFFFAOYSA-N 1 0 319.433 4.076 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000614402117 1042491663 /nfs/dbraw/zinc/49/16/63/1042491663.db2.gz KWDCLQVPVRDEOZ-RTWAWAEBSA-N 1 0 315.420 4.138 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000614407699 1042492639 /nfs/dbraw/zinc/49/26/39/1042492639.db2.gz WZKRBURSEHRAMN-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO N#Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)ccn1 ZINC000614414985 1042494448 /nfs/dbraw/zinc/49/44/48/1042494448.db2.gz PPCYYHDXLLZZKO-NJYVYQBISA-N 1 0 317.436 4.111 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000151139371 1042500719 /nfs/dbraw/zinc/50/07/19/1042500719.db2.gz BAPBEECINCTKTP-CWTRNNRKSA-N 1 0 312.363 4.250 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000280720873 1042578505 /nfs/dbraw/zinc/57/85/05/1042578505.db2.gz FRZGMBBSICWOQJ-DQLDELGASA-N 1 0 322.452 4.380 20 30 DIEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000513713021 1042594496 /nfs/dbraw/zinc/59/44/96/1042594496.db2.gz IZXYLAGYLDIYBN-GMNCBBECSA-N 1 0 312.457 4.272 20 30 DIEDRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618806093 1042611965 /nfs/dbraw/zinc/61/19/65/1042611965.db2.gz PLLQEHXEVUYCOQ-LIRRHRJNSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@H](CC#N)N(C)Cc1cccc(OCCCc2ccccc2)c1 ZINC000513729127 1042612968 /nfs/dbraw/zinc/61/29/68/1042612968.db2.gz NIXYCVYLZIGGPD-GOSISDBHSA-N 1 0 322.452 4.432 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420992579 1042619825 /nfs/dbraw/zinc/61/98/25/1042619825.db2.gz KTRZLPWEZMXLBI-INIZCTEOSA-N 1 0 316.351 4.053 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)s2)c(OC(F)F)cc1C ZINC000421355558 1042631687 /nfs/dbraw/zinc/63/16/87/1042631687.db2.gz UQGMHLDTGHZXGR-UHFFFAOYSA-N 1 0 322.380 4.128 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421371452 1042633317 /nfs/dbraw/zinc/63/33/17/1042633317.db2.gz XUOIQSWWPFJKBZ-VQTJNVASSA-N 1 0 324.399 4.016 20 30 DIEDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(C#N)s2)c1 ZINC000421880526 1042660878 /nfs/dbraw/zinc/66/08/78/1042660878.db2.gz OLQHLYINGFAROG-LLVKDONJSA-N 1 0 322.380 4.380 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(C#N)cc1 ZINC000421892660 1042661625 /nfs/dbraw/zinc/66/16/25/1042661625.db2.gz WORJCZPWIGNLFR-DLBZAZTESA-N 1 0 300.471 4.132 20 30 DIEDRO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423028891 1042696528 /nfs/dbraw/zinc/69/65/28/1042696528.db2.gz HFUUFXLHRYXOHW-QYWGDWMGSA-N 1 0 319.452 4.016 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc2c(c1)CCN2 ZINC000423219868 1042701164 /nfs/dbraw/zinc/70/11/64/1042701164.db2.gz USPUHETUZSQDTL-HXUWFJFHSA-N 1 0 303.409 4.406 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1 ZINC000423352410 1042707610 /nfs/dbraw/zinc/70/76/10/1042707610.db2.gz KNISCUCNWGNGSR-VQTJNVASSA-N 1 0 305.425 4.259 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc(C#N)cc1 ZINC000423434712 1042713279 /nfs/dbraw/zinc/71/32/79/1042713279.db2.gz DJQDKYZNCMZGII-LJQANCHMSA-N 1 0 305.425 4.157 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc(C#N)cc1 ZINC000423434710 1042713312 /nfs/dbraw/zinc/71/33/12/1042713312.db2.gz DJQDKYZNCMZGII-IBGZPJMESA-N 1 0 305.425 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000424138851 1042727214 /nfs/dbraw/zinc/72/72/14/1042727214.db2.gz NBFQHDLWDIAOKR-ZETOZRRWSA-N 1 0 300.229 4.235 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000424177531 1042727342 /nfs/dbraw/zinc/72/73/42/1042727342.db2.gz UIYWQELWURFASN-ICSRJNTNSA-N 1 0 323.436 4.043 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000424289889 1042731273 /nfs/dbraw/zinc/73/12/73/1042731273.db2.gz ANENQAGDRKDWNB-ACRUOGEOSA-N 1 0 307.437 4.265 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000424290108 1042731465 /nfs/dbraw/zinc/73/14/65/1042731465.db2.gz BGCDZJFQBDXMNB-OWLYRPNTSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCCCC)cc1 ZINC000424294238 1042731517 /nfs/dbraw/zinc/73/15/17/1042731517.db2.gz KASNYLPSDCMUER-IEZWGBDMSA-N 1 0 303.446 4.107 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000424292123 1042731603 /nfs/dbraw/zinc/73/16/03/1042731603.db2.gz GEWSPGVVARYQTQ-SUNKGSAMSA-N 1 0 300.229 4.235 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000424299656 1042731999 /nfs/dbraw/zinc/73/19/99/1042731999.db2.gz VTOMWHYLQXQDJG-QRTARXTBSA-N 1 0 323.864 4.369 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000424317805 1042733628 /nfs/dbraw/zinc/73/36/28/1042733628.db2.gz CHLZRECVFBOAAB-VNQPRFMTSA-N 1 0 323.465 4.469 20 30 DIEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424312186 1042733826 /nfs/dbraw/zinc/73/38/26/1042733826.db2.gz LZPNAQYKHKJFDO-AWEZNQCLSA-N 1 0 322.880 4.040 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(F)c(Cl)cc1Cl ZINC000424320059 1042733936 /nfs/dbraw/zinc/73/39/36/1042733936.db2.gz FMUDGGYETYOZBC-KXUCPTDWSA-N 1 0 301.192 4.475 20 30 DIEDRO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424335061 1042734318 /nfs/dbraw/zinc/73/43/18/1042734318.db2.gz WLEKZVYLVSWZCS-JQERWDHBSA-N 1 0 312.457 4.392 20 30 DIEDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](CCCC#N)c3ccccc3)C[C@H]2C1 ZINC000424342786 1042738120 /nfs/dbraw/zinc/73/81/20/1042738120.db2.gz DMMRWJMLBNLGLY-UJMXGEILSA-N 1 0 312.457 4.215 20 30 DIEDRO C=C(C)C(C)(C)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000424742828 1042749800 /nfs/dbraw/zinc/74/98/00/1042749800.db2.gz VLKXUBMKGYPVKS-QGZVFWFLSA-N 1 0 320.521 4.092 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000425365849 1042797982 /nfs/dbraw/zinc/79/79/82/1042797982.db2.gz NJZAYUUMKLPVCT-OAHLLOKOSA-N 1 0 304.393 4.027 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccco1 ZINC000515006849 1042805015 /nfs/dbraw/zinc/80/50/15/1042805015.db2.gz XRNNLKBCGWLAGK-QGZVFWFLSA-N 1 0 312.413 4.261 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CC=CCC1 ZINC000515023686 1042805239 /nfs/dbraw/zinc/80/52/39/1042805239.db2.gz LWDSCSVJVOYJIR-CYBMUJFWSA-N 1 0 308.347 4.365 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000515017420 1042805517 /nfs/dbraw/zinc/80/55/17/1042805517.db2.gz AFRSCMDSLDXUBV-QFBILLFUSA-N 1 0 303.446 4.142 20 30 DIEDRO C=CC[N@@H+](CCc1nc2ccccc2n1C)CC1CCCCC1 ZINC000515016529 1042805945 /nfs/dbraw/zinc/80/59/45/1042805945.db2.gz KBQRWFYKRHVOBY-UHFFFAOYSA-N 1 0 311.473 4.184 20 30 DIEDRO CC(C)(C#N)CCCCN1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000515075782 1042807903 /nfs/dbraw/zinc/80/79/03/1042807903.db2.gz UCIRBGZEYWRXLN-OAHLLOKOSA-N 1 0 320.399 4.138 20 30 DIEDRO C[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000515334559 1042816072 /nfs/dbraw/zinc/81/60/72/1042816072.db2.gz JZUGXJRFUZXEGT-UHFFFAOYSA-N 1 0 310.344 4.271 20 30 DIEDRO CC[N@H+](Cc1c(C)cc(OC)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000515534731 1042825734 /nfs/dbraw/zinc/82/57/34/1042825734.db2.gz JELARMWRGCYGHD-MRXNPFEDSA-N 1 0 323.440 4.162 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425499205 1042832568 /nfs/dbraw/zinc/83/25/68/1042832568.db2.gz AKIDQAGIIJINET-UHFFFAOYSA-N 1 0 317.502 4.141 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCc2ccc(Cl)s2)cc1 ZINC000515859517 1042839682 /nfs/dbraw/zinc/83/96/82/1042839682.db2.gz UVGUCNDKGMSANP-UHFFFAOYSA-N 1 0 304.846 4.386 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000516948260 1042860765 /nfs/dbraw/zinc/86/07/65/1042860765.db2.gz LVHASUOQAKQWRD-DOTOQJQBSA-N 1 0 320.502 4.262 20 30 DIEDRO N#CCCCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000517547798 1042886421 /nfs/dbraw/zinc/88/64/21/1042886421.db2.gz QOWHVUQMZIOSOP-UHFFFAOYSA-N 1 0 305.834 4.247 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCC2)C1 ZINC000425962492 1042887800 /nfs/dbraw/zinc/88/78/00/1042887800.db2.gz YKWVJCPUWBMONB-DOTOQJQBSA-N 1 0 302.849 4.477 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000925031709 1042894123 /nfs/dbraw/zinc/89/41/23/1042894123.db2.gz ZXCHQMMOOGSSJP-HXUWFJFHSA-N 1 0 308.425 4.277 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccncc2)ccc1OC ZINC000426553699 1042937398 /nfs/dbraw/zinc/93/73/98/1042937398.db2.gz DXWDFCPMOKWGDM-IBGZPJMESA-N 1 0 308.425 4.298 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000519243835 1042940369 /nfs/dbraw/zinc/94/03/69/1042940369.db2.gz KVOORYVJXNFMSS-DOTOQJQBSA-N 1 0 303.446 4.142 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000519294658 1042943315 /nfs/dbraw/zinc/94/33/15/1042943315.db2.gz VONNKDDDYLGHCJ-NVXWUHKLSA-N 1 0 316.408 4.012 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000925068853 1042946632 /nfs/dbraw/zinc/94/66/32/1042946632.db2.gz BIUGZIWGLYYCBU-YJBOKZPZSA-N 1 0 300.446 4.072 20 30 DIEDRO CC(C)COc1ccc(C[NH+]2CCC(CCC#N)CC2)cc1 ZINC000519403209 1042947465 /nfs/dbraw/zinc/94/74/65/1042947465.db2.gz ZRDRJOUBNQCPFB-UHFFFAOYSA-N 1 0 300.446 4.237 20 30 DIEDRO C[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000519490140 1042951136 /nfs/dbraw/zinc/95/11/36/1042951136.db2.gz OSFXHMXIHDANGQ-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000232314269 1042968760 /nfs/dbraw/zinc/96/87/60/1042968760.db2.gz XBKWYDTXICKJDY-QGZVFWFLSA-N 1 0 301.821 4.037 20 30 DIEDRO C[C@]1(Br)C[C@@H]1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000894607555 1042969686 /nfs/dbraw/zinc/96/96/86/1042969686.db2.gz UPLAXWJYRHAFBS-OAGGEKHMSA-N 1 0 321.262 4.185 20 30 DIEDRO C[C@]1(Br)C[C@@H]1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000894607556 1042969806 /nfs/dbraw/zinc/96/98/06/1042969806.db2.gz UPLAXWJYRHAFBS-PMPSAXMXSA-N 1 0 321.262 4.185 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894658536 1042971690 /nfs/dbraw/zinc/97/16/90/1042971690.db2.gz VRAGQRGICMAZBV-UHFFFAOYSA-N 1 0 319.861 4.369 20 30 DIEDRO CCCCCCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)C ZINC001280268977 1042974568 /nfs/dbraw/zinc/97/45/68/1042974568.db2.gz LSAYHRPTYMSQKC-MJGOQNOKSA-N 1 0 308.510 4.070 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000341886439 1042982735 /nfs/dbraw/zinc/98/27/35/1042982735.db2.gz NPGIKIVDNZXVPD-WFASDCNBSA-N 1 0 311.878 4.041 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1OC(F)(F)F ZINC000151371680 1042989319 /nfs/dbraw/zinc/98/93/19/1042989319.db2.gz MFLXSUCZUPXSIS-GFCCVEGCSA-N 1 0 320.314 4.308 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1F ZINC000519750427 1043001514 /nfs/dbraw/zinc/00/15/14/1043001514.db2.gz UGZGLKUUPBGUJH-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO C=CCc1cc(C[N@H+](C)Cc2ccc(C)cc2)c(O)c(OC)c1 ZINC000216024332 1043001626 /nfs/dbraw/zinc/00/16/26/1043001626.db2.gz GHCPDIFPTAPCQP-UHFFFAOYSA-N 1 0 311.425 4.070 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(-c2ccncc2)c1 ZINC000151398843 1043021601 /nfs/dbraw/zinc/02/16/01/1043021601.db2.gz ZVFHNLVZWARCOI-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000520191115 1043023361 /nfs/dbraw/zinc/02/33/61/1043023361.db2.gz XLDAJGGYWDKFBC-GJYPPUQNSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCCOC2CCCCC2)c1 ZINC000520208800 1043024393 /nfs/dbraw/zinc/02/43/93/1043024393.db2.gz MWISTDGVHGKWSX-UHFFFAOYSA-N 1 0 303.446 4.080 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc3c(s2)CCCC3)cc1 ZINC000520214715 1043024886 /nfs/dbraw/zinc/02/48/86/1043024886.db2.gz WEINDZKHHYJNGZ-UHFFFAOYSA-N 1 0 313.466 4.482 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1F)Cc1cccc2ccccc21 ZINC000520310387 1043032675 /nfs/dbraw/zinc/03/26/75/1043032675.db2.gz URXBIGJJDRXSAF-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCOc2ccccc2C#N)C1 ZINC000441320840 1043035670 /nfs/dbraw/zinc/03/56/70/1043035670.db2.gz DATMMZVDALCQTI-BEFAXECRSA-N 1 0 324.399 4.159 20 30 DIEDRO N#CC1CCC(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000441363952 1043040458 /nfs/dbraw/zinc/04/04/58/1043040458.db2.gz YNKIJOTWJDANJE-UHFFFAOYSA-N 1 0 302.384 4.275 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000441375622 1043041195 /nfs/dbraw/zinc/04/11/95/1043041195.db2.gz YYMDRFLSGSMPHP-UHFFFAOYSA-N 1 0 303.475 4.220 20 30 DIEDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000441389417 1043043249 /nfs/dbraw/zinc/04/32/49/1043043249.db2.gz VKTDGESMJHKISD-JXFKEZNVSA-N 1 0 320.436 4.225 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894963739 1043052296 /nfs/dbraw/zinc/05/22/96/1043052296.db2.gz APXQTKRBVSJWLS-GOSISDBHSA-N 1 0 312.800 4.084 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)cc1 ZINC001167990977 1043052633 /nfs/dbraw/zinc/05/26/33/1043052633.db2.gz CNULAPQTZFWBJP-QGZVFWFLSA-N 1 0 310.376 4.120 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(C#N)c2)c(OC(F)F)cc1C ZINC000174263588 1043062576 /nfs/dbraw/zinc/06/25/76/1043062576.db2.gz NUPQVOGPORSXIX-UHFFFAOYSA-N 1 0 316.351 4.066 20 30 DIEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 ZINC000794830800 1043069418 /nfs/dbraw/zinc/06/94/18/1043069418.db2.gz LKAXTGYURBNTPP-UIAACRFSSA-N 1 0 308.425 4.111 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)cc1 ZINC000120517781 1043084795 /nfs/dbraw/zinc/08/47/95/1043084795.db2.gz DGSMSHFZTWMAFD-XLIONFOSSA-N 1 0 322.452 4.450 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(CC#N)cc2)c1 ZINC000865613203 1043118639 /nfs/dbraw/zinc/11/86/39/1043118639.db2.gz PGGFBGQSUZJAEF-UHFFFAOYSA-N 1 0 308.425 4.220 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)C(C)(F)F)cc1OC ZINC000865790275 1043134917 /nfs/dbraw/zinc/13/49/17/1043134917.db2.gz OJZMMRDRZXXWHM-UHFFFAOYSA-N 1 0 313.388 4.031 20 30 DIEDRO CC(C)(C)OC1CC(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000520463988 1043137952 /nfs/dbraw/zinc/13/79/52/1043137952.db2.gz ROZKUTHQPPSOOG-YVNUBYTISA-N 1 0 312.457 4.119 20 30 DIEDRO CC[N@H+](Cc1cnn(C(C)(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000179464652 1043147223 /nfs/dbraw/zinc/14/72/23/1043147223.db2.gz DPQJVMGWLSKYIR-OAHLLOKOSA-N 1 0 310.445 4.093 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000179662203 1043149458 /nfs/dbraw/zinc/14/94/58/1043149458.db2.gz LPCOACUIHRFHKM-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866261179 1043168072 /nfs/dbraw/zinc/16/80/72/1043168072.db2.gz QNPHVBHCTMYPGU-CYBMUJFWSA-N 1 0 319.246 4.054 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866353210 1043186109 /nfs/dbraw/zinc/18/61/09/1043186109.db2.gz PTIHRQGPRYPTME-PBEJRMEISA-N 1 0 324.468 4.127 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866352119 1043186510 /nfs/dbraw/zinc/18/65/10/1043186510.db2.gz GWLDZJABGGGQSG-WQGACYEGSA-N 1 0 320.820 4.113 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc2c(ccnc2Cl)o1 ZINC000866357733 1043187977 /nfs/dbraw/zinc/18/79/77/1043187977.db2.gz VSRMXFYJGOVJFQ-LLVKDONJSA-N 1 0 305.809 4.462 20 30 DIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184698555 1043187771 /nfs/dbraw/zinc/18/77/71/1043187771.db2.gz RXMYFLXPHRRMPT-WBVHZDCISA-N 1 0 324.428 4.057 20 30 DIEDRO C[C@H](CCc1cccnc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000866364114 1043190040 /nfs/dbraw/zinc/19/00/40/1043190040.db2.gz PKFWSLGTZFPNEK-XLIONFOSSA-N 1 0 307.441 4.427 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000487392939 1043198146 /nfs/dbraw/zinc/19/81/46/1043198146.db2.gz KVYHCIOIFFFFLX-UHFFFAOYSA-N 1 0 321.371 4.193 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000866535536 1043219376 /nfs/dbraw/zinc/21/93/76/1043219376.db2.gz VBKCZDZELHEHJD-UHOFOFEASA-N 1 0 308.347 4.354 20 30 DIEDRO C[C@@H]([NH2+]CCSCCC(F)(F)F)c1ccc(C#N)cc1F ZINC000866542942 1043220819 /nfs/dbraw/zinc/22/08/19/1043220819.db2.gz JEKUHACEJGQVGP-SNVBAGLBSA-N 1 0 320.355 4.034 20 30 DIEDRO CC[C@@H]([NH2+]CCSCCC(F)(F)F)c1ccc(C#N)cc1 ZINC000866543851 1043222596 /nfs/dbraw/zinc/22/25/96/1043222596.db2.gz YJIAPCUBXXWMAK-CQSZACIVSA-N 1 0 316.392 4.285 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000186437711 1043224279 /nfs/dbraw/zinc/22/42/79/1043224279.db2.gz UKWOLZFDCOEFAZ-AWEZNQCLSA-N 1 0 310.344 4.055 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)CC2 ZINC000866610096 1043233770 /nfs/dbraw/zinc/23/37/70/1043233770.db2.gz QOOOVBCYTHQVOC-BZUAXINKSA-N 1 0 306.331 4.032 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cc2cnccc2o1 ZINC000866619471 1043238476 /nfs/dbraw/zinc/23/84/76/1043238476.db2.gz GKHWOKZQXFBVEU-SJKOYZFVSA-N 1 0 303.365 4.038 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)C1CC1 ZINC000121652742 1043254305 /nfs/dbraw/zinc/25/43/05/1043254305.db2.gz UYVYBNAMHDAKTL-JKSUJKDBSA-N 1 0 301.455 4.269 20 30 DIEDRO COC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000194064533 1043288197 /nfs/dbraw/zinc/28/81/97/1043288197.db2.gz DONXGUBBUPMABV-FZKQIMNGSA-N 1 0 314.816 4.250 20 30 DIEDRO CC(C)(C#N)CCC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000267401610 1043307633 /nfs/dbraw/zinc/30/76/33/1043307633.db2.gz IYMXXULXWRUKAH-LJQANCHMSA-N 1 0 314.473 4.078 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCOC1 ZINC001202528279 1043318039 /nfs/dbraw/zinc/31/80/39/1043318039.db2.gz BDEJEZYUROSPNY-FXAWDEMLSA-N 1 0 320.436 4.158 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268399510 1043318245 /nfs/dbraw/zinc/31/82/45/1043318245.db2.gz ULDWDFPUNZVQOC-IAGOWNOFSA-N 1 0 318.461 4.278 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268399509 1043318637 /nfs/dbraw/zinc/31/86/37/1043318637.db2.gz ULDWDFPUNZVQOC-DLBZAZTESA-N 1 0 318.461 4.278 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000268789267 1043330578 /nfs/dbraw/zinc/33/05/78/1043330578.db2.gz FIGGPRZWUODVAJ-ZIAGYGMSSA-N 1 0 309.369 4.187 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1 ZINC000268831128 1043335478 /nfs/dbraw/zinc/33/54/78/1043335478.db2.gz OLWPPEXRCKBJEH-MRXNPFEDSA-N 1 0 322.408 4.007 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000795106262 1043339894 /nfs/dbraw/zinc/33/98/94/1043339894.db2.gz JKCDRDVUEZNIGJ-UYAOXDASSA-N 1 0 322.537 4.317 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CC1(c2ccccc2OC)CC1 ZINC000520957736 1043345719 /nfs/dbraw/zinc/34/57/19/1043345719.db2.gz XABVWFCDKGVFLJ-UHFFFAOYSA-N 1 0 323.436 4.081 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOC1 ZINC001202530717 1043346687 /nfs/dbraw/zinc/34/66/87/1043346687.db2.gz UMCXVJVPNZUFCF-YLJYHZDGSA-N 1 0 320.436 4.158 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c(F)c1 ZINC000339108031 1043353882 /nfs/dbraw/zinc/35/38/82/1043353882.db2.gz UCSNCZACVXYJAQ-IBGZPJMESA-N 1 0 309.388 4.210 20 30 DIEDRO CC(C)c1csc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)n1 ZINC000123690113 1043379328 /nfs/dbraw/zinc/37/93/28/1043379328.db2.gz VFFNYOFARGVUPF-UHFFFAOYSA-N 1 0 316.474 4.317 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000521472868 1043399776 /nfs/dbraw/zinc/39/97/76/1043399776.db2.gz KZBUYOBZVVJGGR-HNNXBMFYSA-N 1 0 317.477 4.469 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)C1 ZINC000442712987 1043407992 /nfs/dbraw/zinc/40/79/92/1043407992.db2.gz HJZHPEDYXIFYKQ-LEWJYISDSA-N 1 0 320.436 4.185 20 30 DIEDRO Cc1cccc(COc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)c1 ZINC000442711158 1043408050 /nfs/dbraw/zinc/40/80/50/1043408050.db2.gz DPBONPIVZRUGAD-QUCCMNQESA-N 1 0 320.436 4.356 20 30 DIEDRO Cc1cccc(COc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)c1 ZINC000442711155 1043408208 /nfs/dbraw/zinc/40/82/08/1043408208.db2.gz DPBONPIVZRUGAD-ICSRJNTNSA-N 1 0 320.436 4.356 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000442779498 1043416047 /nfs/dbraw/zinc/41/60/47/1043416047.db2.gz LPJOKNZPPIPBQT-WCQYABFASA-N 1 0 313.228 4.044 20 30 DIEDRO COc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442776438 1043417177 /nfs/dbraw/zinc/41/71/77/1043417177.db2.gz HKRBBXUWNMIHMC-IAGOWNOFSA-N 1 0 322.408 4.269 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000871935118 1043417659 /nfs/dbraw/zinc/41/76/59/1043417659.db2.gz QXAJBIZKGWMSIY-NWDGAFQWSA-N 1 0 319.330 4.384 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(OCCC(C)C)c1 ZINC000442770628 1043420658 /nfs/dbraw/zinc/42/06/58/1043420658.db2.gz RTRYNLLFBBTIGX-SJLPKXTDSA-N 1 0 300.446 4.202 20 30 DIEDRO C[C@H](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442787188 1043420817 /nfs/dbraw/zinc/42/08/17/1043420817.db2.gz AFDSXSQFOMOEHZ-XJKCOSOUSA-N 1 0 310.363 4.481 20 30 DIEDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)ccc1C#N ZINC000442807084 1043421496 /nfs/dbraw/zinc/42/14/96/1043421496.db2.gz DKYWNGHFIMMQMI-LJQANCHMSA-N 1 0 321.424 4.079 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)C1 ZINC000442765939 1043421581 /nfs/dbraw/zinc/42/15/81/1043421581.db2.gz KEXJRVIBVJOARD-OXJNMPFZSA-N 1 0 318.420 4.070 20 30 DIEDRO COc1cccc(-c2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)c1 ZINC000442794351 1043423713 /nfs/dbraw/zinc/42/37/13/1043423713.db2.gz QBOOKPKUVQIXSV-LPHOPBHVSA-N 1 0 306.409 4.144 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1cccc(OC)c1 ZINC000442796682 1043425588 /nfs/dbraw/zinc/42/55/88/1043425588.db2.gz GKPKGQHCWDEYMN-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO CCCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442799799 1043427014 /nfs/dbraw/zinc/42/70/14/1043427014.db2.gz ZYOVXCKZKRKUMN-AEFFLSMTSA-N 1 0 300.446 4.346 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442799142 1043427169 /nfs/dbraw/zinc/42/71/69/1043427169.db2.gz ZNJKLERNFSLKNR-XJKSGUPXSA-N 1 0 322.374 4.409 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000442818183 1043430203 /nfs/dbraw/zinc/43/02/03/1043430203.db2.gz HVVGMWMQEZEGLP-AEFFLSMTSA-N 1 0 324.399 4.442 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC000442834987 1043434759 /nfs/dbraw/zinc/43/47/59/1043434759.db2.gz CBESXPBPBVYRQJ-HZPDHXFCSA-N 1 0 303.409 4.076 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442863277 1043436243 /nfs/dbraw/zinc/43/62/43/1043436243.db2.gz QTSHRNMMFIDYFY-KLAILNCOSA-N 1 0 300.446 4.456 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([NH2+]CC1CCC(C#N)CC1)CCC2 ZINC000442860864 1043436832 /nfs/dbraw/zinc/43/68/32/1043436832.db2.gz XBBVKTOOHJOQPI-RUXDESIVSA-N 1 0 303.475 4.002 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCCc2nc(CC)sc21)c1ccccc1 ZINC000271573602 1043439270 /nfs/dbraw/zinc/43/92/70/1043439270.db2.gz WAHVBVAASFOMSV-JKSUJKDBSA-N 1 0 310.466 4.437 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000442864702 1043439491 /nfs/dbraw/zinc/43/94/91/1043439491.db2.gz GTGKVQISOQVXTE-ALLBUHFWSA-N 1 0 323.415 4.230 20 30 DIEDRO N#CCCCOc1cccc(N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925633027 1043440667 /nfs/dbraw/zinc/44/06/67/1043440667.db2.gz BRKZZTBAIQGAIV-FQEVSTJZSA-N 1 0 323.440 4.261 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000442851341 1043444206 /nfs/dbraw/zinc/44/42/06/1043444206.db2.gz FWFSQTDNZJALQB-PMTKGXAQSA-N 1 0 323.415 4.230 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000442857750 1043446469 /nfs/dbraw/zinc/44/64/69/1043446469.db2.gz NRNONOZLCWHCKH-IUODEOHRSA-N 1 0 310.363 4.265 20 30 DIEDRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000872070206 1043448047 /nfs/dbraw/zinc/44/80/47/1043448047.db2.gz SIGFQEMSJBEDSZ-GFCCVEGCSA-N 1 0 304.743 4.422 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000442889689 1043450956 /nfs/dbraw/zinc/45/09/56/1043450956.db2.gz FVFWWEKTVWSBHW-KKSFZXQISA-N 1 0 318.420 4.141 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000442891508 1043451424 /nfs/dbraw/zinc/45/14/24/1043451424.db2.gz NJKXIBVWMYWGLC-XJKSGUPXSA-N 1 0 312.363 4.387 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000558180047 1043452413 /nfs/dbraw/zinc/45/24/13/1043452413.db2.gz MHNAJKRTBITAOX-SFHVURJKSA-N 1 0 324.424 4.159 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1F ZINC000872079819 1043452492 /nfs/dbraw/zinc/45/24/92/1043452492.db2.gz LBWVECLVOIJWJY-SJCJKPOMSA-N 1 0 310.372 4.131 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000442900942 1043453482 /nfs/dbraw/zinc/45/34/82/1043453482.db2.gz SPWGVUQVRPDLLD-SJLPKXTDSA-N 1 0 306.409 4.020 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000925694756 1043454720 /nfs/dbraw/zinc/45/47/20/1043454720.db2.gz FLHMFPLDUKKCRH-UWJYYQICSA-N 1 0 324.468 4.069 20 30 DIEDRO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000339153791 1043454883 /nfs/dbraw/zinc/45/48/83/1043454883.db2.gz VIRRMNMDPAYDAA-INIZCTEOSA-N 1 0 302.466 4.150 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000872099878 1043458884 /nfs/dbraw/zinc/45/88/84/1043458884.db2.gz GELJUEVRRZVUAV-HNNXBMFYSA-N 1 0 302.462 4.031 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000442994002 1043464788 /nfs/dbraw/zinc/46/47/88/1043464788.db2.gz BBOWLYBFPZSVPD-AEFFLSMTSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872130491 1043473876 /nfs/dbraw/zinc/47/38/76/1043473876.db2.gz NNFSNFLFHVVVFE-NUYPLMSZSA-N 1 0 311.351 4.223 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000872139136 1043476855 /nfs/dbraw/zinc/47/68/55/1043476855.db2.gz GRVGBZGKBVRIBG-XFQXTVEOSA-N 1 0 308.400 4.092 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000872139877 1043477659 /nfs/dbraw/zinc/47/76/59/1043477659.db2.gz RSENMEKKVAWDBF-KBAYOESNSA-N 1 0 310.466 4.209 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000872139135 1043477994 /nfs/dbraw/zinc/47/79/94/1043477994.db2.gz GRVGBZGKBVRIBG-QSFXBCCZSA-N 1 0 308.400 4.092 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000872138960 1043478169 /nfs/dbraw/zinc/47/81/69/1043478169.db2.gz CDBZMCJHDYFHJP-XFQXTVEOSA-N 1 0 308.400 4.092 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCCc2ccccc21 ZINC000521822005 1043488382 /nfs/dbraw/zinc/48/83/82/1043488382.db2.gz PCDNLMMQFJXELH-IBGZPJMESA-N 1 0 312.457 4.096 20 30 DIEDRO CCC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccsc1 ZINC000443105451 1043489900 /nfs/dbraw/zinc/48/99/00/1043489900.db2.gz PNHASGPPVVGJAO-KRWDZBQOSA-N 1 0 300.427 4.130 20 30 DIEDRO COc1ccc(N=NC2CCC(C)([NH+](C)C)CC2)cc1Cl ZINC000872363657 1043491652 /nfs/dbraw/zinc/49/16/52/1043491652.db2.gz LIYLQVKBGOJWDY-UHFFFAOYSA-N 1 0 309.841 4.011 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000124087031 1043499602 /nfs/dbraw/zinc/49/96/02/1043499602.db2.gz UPQZOCKCADXFQO-UHFFFAOYSA-N 1 0 312.438 4.270 20 30 DIEDRO Cc1ccsc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000349578091 1043514235 /nfs/dbraw/zinc/51/42/35/1043514235.db2.gz OSLJNCYDGHGGMW-UHFFFAOYSA-N 1 0 314.454 4.371 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000777587542 1043534770 /nfs/dbraw/zinc/53/47/70/1043534770.db2.gz UOVKAHOTSSAZLK-IERDGZPVSA-N 1 0 320.436 4.065 20 30 DIEDRO C[C@H]1CCCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350122510 1043538982 /nfs/dbraw/zinc/53/89/82/1043538982.db2.gz JMKSBIFRHWKPHL-INIZCTEOSA-N 1 0 323.440 4.002 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000442862600 1043550569 /nfs/dbraw/zinc/55/05/69/1043550569.db2.gz VQWYLCHWHXLDFY-ZWNOBZJWSA-N 1 0 322.239 4.299 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C(C)(C)O)cc1 ZINC000926314693 1043562228 /nfs/dbraw/zinc/56/22/28/1043562228.db2.gz HLMOMTHSIAIUBB-XOBRGWDASA-N 1 0 320.436 4.124 20 30 DIEDRO Cc1cc(C)cc([C@H]([NH2+]CC2(CC#N)CC2)c2cccnc2)c1 ZINC000926344247 1043567291 /nfs/dbraw/zinc/56/72/91/1043567291.db2.gz JPJRHAWHLHCRKK-LJQANCHMSA-N 1 0 305.425 4.071 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000926344476 1043567563 /nfs/dbraw/zinc/56/75/63/1043567563.db2.gz WTHOIHZITAUBOH-GIVPXCGWSA-N 1 0 322.452 4.050 20 30 DIEDRO Cc1cccc([C@H]([NH2+]CC2CCC(C#N)CC2)c2ccccn2)c1 ZINC000926356266 1043569269 /nfs/dbraw/zinc/56/92/69/1043569269.db2.gz JWJJHJTUTBTUQF-NGICGMGXSA-N 1 0 319.452 4.399 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000926366184 1043569360 /nfs/dbraw/zinc/56/93/60/1043569360.db2.gz CFVIFLQBXRDPAQ-ZDUSSCGKSA-N 1 0 301.409 4.158 20 30 DIEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](C)CCC=C(C)C ZINC001275069379 1043569840 /nfs/dbraw/zinc/56/98/40/1043569840.db2.gz ORAZDGWZHNPICS-GUDVDZBRSA-N 1 0 318.505 4.010 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000926355376 1043569890 /nfs/dbraw/zinc/56/98/90/1043569890.db2.gz GBAKVXVLMMCKJC-SEEARECTSA-N 1 0 303.837 4.032 20 30 DIEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H](C)CCC=C(C)C ZINC001275067110 1043571266 /nfs/dbraw/zinc/57/12/66/1043571266.db2.gz OGAYUIQMEHYFSJ-QUCCMNQESA-N 1 0 318.505 4.012 20 30 DIEDRO C=CCN1CC2(CCC1=O)CC[NH+](C[C@@H](CC)CCCC)CC2 ZINC001275082627 1043571714 /nfs/dbraw/zinc/57/17/14/1043571714.db2.gz OORVIARSIKHFBF-SFHVURJKSA-N 1 0 320.521 4.093 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000926407098 1043575006 /nfs/dbraw/zinc/57/50/06/1043575006.db2.gz RTSWWWGIONSYMZ-HIFRSBDPSA-N 1 0 304.434 4.073 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@]2(CCN([C@H](C)CC)C2=O)C1 ZINC001275114103 1043575864 /nfs/dbraw/zinc/57/58/64/1043575864.db2.gz JRIUESDYBXIECC-IEBWSBKVSA-N 1 0 308.510 4.070 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cccc(Cl)c1 ZINC000124945526 1043577275 /nfs/dbraw/zinc/57/72/75/1043577275.db2.gz ZBRKXXVMEWECFT-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO CC1(C)CC2(CC([NH2+][C@@H](CCCC#N)c3ccccc3)C2)CO1 ZINC000926479343 1043582971 /nfs/dbraw/zinc/58/29/71/1043582971.db2.gz JOEJMKRQYYNZKG-FDYSRKEFSA-N 1 0 312.457 4.359 20 30 DIEDRO COc1ccnc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000926480811 1043585441 /nfs/dbraw/zinc/58/54/41/1043585441.db2.gz RGZPVLJYYBEIJW-YJBOKZPZSA-N 1 0 309.413 4.176 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000125067926 1043589687 /nfs/dbraw/zinc/58/96/87/1043589687.db2.gz BTVUGOATDZYGPE-ZDUSSCGKSA-N 1 0 317.230 4.308 20 30 DIEDRO CCc1ccc([C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2cccnc2)cc1 ZINC000926513481 1043590468 /nfs/dbraw/zinc/59/04/68/1043590468.db2.gz VVMHVQILRQCCDG-YYWHXJBOSA-N 1 0 319.452 4.405 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353274787 1043595173 /nfs/dbraw/zinc/59/51/73/1043595173.db2.gz PDHMZLGHNUZGRI-UXHICEINSA-N 1 0 318.420 4.221 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOc3ccccc31)CC2 ZINC000353388986 1043605169 /nfs/dbraw/zinc/60/51/69/1043605169.db2.gz QUXHDUISPILJIL-RBUKOAKNSA-N 1 0 304.393 4.049 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)c1ccco1 ZINC000353434996 1043607067 /nfs/dbraw/zinc/60/70/67/1043607067.db2.gz KYFUXICPYRNWCA-IBGZPJMESA-N 1 0 321.424 4.322 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000926611063 1043607803 /nfs/dbraw/zinc/60/78/03/1043607803.db2.gz IITJQUCAYCZULH-SCVCMEIPSA-N 1 0 305.365 4.009 20 30 DIEDRO Cc1cc(C)cc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccnc2)c1 ZINC000926616115 1043607898 /nfs/dbraw/zinc/60/78/98/1043607898.db2.gz RMVVRXDEXSAHMR-PWIZWCRZSA-N 1 0 305.425 4.070 20 30 DIEDRO CC(C)N(Cc1cccs1)Cc1cn2ccccc2c1C#N ZINC000353475560 1043608226 /nfs/dbraw/zinc/60/82/26/1043608226.db2.gz YPFFEIUMBKCHLY-UHFFFAOYSA-N 1 0 309.438 4.283 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccnn1C1CCC1 ZINC000926671957 1043614930 /nfs/dbraw/zinc/61/49/30/1043614930.db2.gz RDWYGEHUKYHKGU-HNNXBMFYSA-N 1 0 320.440 4.210 20 30 DIEDRO CC[C@H]([NH2+]CC1(c2cccc(OC)c2)CC1)c1ccc(C#N)cc1 ZINC000353567371 1043617325 /nfs/dbraw/zinc/61/73/25/1043617325.db2.gz NNTVPJSBKACFKT-FQEVSTJZSA-N 1 0 320.436 4.339 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3ccc(F)cc31)CC2 ZINC000353583271 1043621330 /nfs/dbraw/zinc/62/13/30/1043621330.db2.gz XMDVORXWRIMXKV-VQTJNVASSA-N 1 0 306.384 4.352 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000926779477 1043632163 /nfs/dbraw/zinc/63/21/63/1043632163.db2.gz RWLAJGIMDRZAHM-LYRGGWFBSA-N 1 0 324.827 4.227 20 30 DIEDRO C=CCSCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000380971656 1043634914 /nfs/dbraw/zinc/63/49/14/1043634914.db2.gz FRASAFQIWMGKNC-SNVBAGLBSA-N 1 0 318.305 4.007 20 30 DIEDRO C[C@H](Nc1ccc(CCC#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926892919 1043648015 /nfs/dbraw/zinc/64/80/15/1043648015.db2.gz MGZMHMATLFXHLQ-INIZCTEOSA-N 1 0 307.441 4.377 20 30 DIEDRO C=CCN1CC[C@]2(CC[N@@H+](CCCCCC/C=C\CC)C2)C1=O ZINC001275277810 1043648155 /nfs/dbraw/zinc/64/81/55/1043648155.db2.gz UCHBDPZEIFCJBS-PRPIBZDOSA-N 1 0 318.505 4.014 20 30 DIEDRO COc1ccc(F)cc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353897263 1043654426 /nfs/dbraw/zinc/65/44/26/1043654426.db2.gz HQUDJLDBEROKQH-SFHVURJKSA-N 1 0 312.388 4.359 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000353918016 1043656400 /nfs/dbraw/zinc/65/64/00/1043656400.db2.gz WWLDFRMHUXCHTK-HNNXBMFYSA-N 1 0 315.398 4.181 20 30 DIEDRO Cc1cccn2c(C[NH2+][C@H](CCCC#N)c3ccccc3)cnc12 ZINC000353916279 1043656965 /nfs/dbraw/zinc/65/69/65/1043656965.db2.gz PVDHEESKTGEBAC-LJQANCHMSA-N 1 0 318.424 4.168 20 30 DIEDRO Cc1nn(C(C)C)cc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353915289 1043656992 /nfs/dbraw/zinc/65/69/92/1043656992.db2.gz NDFXCGSPOJEDJK-IBGZPJMESA-N 1 0 310.445 4.297 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)CC1CCOCC1 ZINC000353913085 1043657281 /nfs/dbraw/zinc/65/72/81/1043657281.db2.gz HCFSPCAPPIFAHB-XLIONFOSSA-N 1 0 314.473 4.464 20 30 DIEDRO COc1ccc(OC)c(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000353915781 1043657317 /nfs/dbraw/zinc/65/73/17/1043657317.db2.gz NICDFYPTVXYSPH-LJQANCHMSA-N 1 0 324.424 4.229 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000353916219 1043657532 /nfs/dbraw/zinc/65/75/32/1043657532.db2.gz OZDSFAAAMCKVOE-IBGZPJMESA-N 1 0 307.372 4.222 20 30 DIEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353916928 1043657647 /nfs/dbraw/zinc/65/76/47/1043657647.db2.gz RYVNNXVUROMGJQ-OXJNMPFZSA-N 1 0 308.425 4.348 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cccc(C#N)c1 ZINC000926972864 1043664517 /nfs/dbraw/zinc/66/45/17/1043664517.db2.gz IQTLHXAMDXQSIU-FSPWUOQZSA-N 1 0 312.363 4.258 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1 ZINC000353981693 1043669154 /nfs/dbraw/zinc/66/91/54/1043669154.db2.gz WOBITMAWJKZCMX-UGSOOPFHSA-N 1 0 304.397 4.236 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000927037053 1043670625 /nfs/dbraw/zinc/67/06/25/1043670625.db2.gz MHSDJNDPHGEDDT-JSGCOSHPSA-N 1 0 304.434 4.166 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H](c2nc(CC)no2)C1)c1ccco1 ZINC000927046776 1043673829 /nfs/dbraw/zinc/67/38/29/1043673829.db2.gz CAZUARVYQYBDKA-KKUMJFAQSA-N 1 0 315.417 4.158 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000927068956 1043681732 /nfs/dbraw/zinc/68/17/32/1043681732.db2.gz KDIMGWINAFUZNC-GIVPXCGWSA-N 1 0 324.468 4.121 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1cccc(C#N)c1 ZINC000927123235 1043693418 /nfs/dbraw/zinc/69/34/18/1043693418.db2.gz OFDNCXJBFITMJK-GOSISDBHSA-N 1 0 324.424 4.125 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(CCC(=O)N(CC(C)C)C2)CC1 ZINC001275328976 1043699805 /nfs/dbraw/zinc/69/98/05/1043699805.db2.gz IIXDFQSBQUMAKQ-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2([C@H]3CCCCO3)CC2)CC1 ZINC000927163360 1043701424 /nfs/dbraw/zinc/70/14/24/1043701424.db2.gz UVODBFAHWURMAW-IOJLRTSASA-N 1 0 324.468 4.082 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000559149182 1043703936 /nfs/dbraw/zinc/70/39/36/1043703936.db2.gz GEQKBNHEFXAYAQ-ZOBORPQBSA-N 1 0 310.363 4.479 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000876722148 1043705965 /nfs/dbraw/zinc/70/59/65/1043705965.db2.gz PEXGSXPSIRACGJ-RDTXWAMCSA-N 1 0 320.864 4.025 20 30 DIEDRO COc1ccc(Nc2ccnc(-c3ccccc3)c2)c(C#N)c1 ZINC001212779719 1043708637 /nfs/dbraw/zinc/70/86/37/1043708637.db2.gz AFQZICPCBUIYQZ-UHFFFAOYSA-N 1 0 301.349 4.372 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)s1 ZINC000185230687 1043712301 /nfs/dbraw/zinc/71/23/01/1043712301.db2.gz LDXMKFBFMYDDLK-UHFFFAOYSA-N 1 0 300.402 4.014 20 30 DIEDRO Cc1ccc([C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C2CC2)cc1 ZINC000876921593 1043724535 /nfs/dbraw/zinc/72/45/35/1043724535.db2.gz QJXIQYMRDQRFKK-KRWDZBQOSA-N 1 0 311.816 4.156 20 30 DIEDRO CC(C)(C)[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876928103 1043724978 /nfs/dbraw/zinc/72/49/78/1043724978.db2.gz UBPPJWJHPQERSP-MRXNPFEDSA-N 1 0 313.832 4.484 20 30 DIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H](C)CCC#N)CCCC2 ZINC000895656772 1043726131 /nfs/dbraw/zinc/72/61/31/1043726131.db2.gz TXYFSEWKTYTBBX-YOEHRIQHSA-N 1 0 316.445 4.001 20 30 DIEDRO CC(C)(C)[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876928102 1043725953 /nfs/dbraw/zinc/72/59/53/1043725953.db2.gz UBPPJWJHPQERSP-INIZCTEOSA-N 1 0 313.832 4.484 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000126264404 1043729046 /nfs/dbraw/zinc/72/90/46/1043729046.db2.gz CRWJGAXDIDUIPP-CABCVRRESA-N 1 0 323.864 4.284 20 30 DIEDRO C[C@H](CC[N@H+](CCC#N)CC(C)(C)C)OCc1ccccc1 ZINC000354917520 1043729270 /nfs/dbraw/zinc/72/92/70/1043729270.db2.gz MMNWYQZADBWUGD-QGZVFWFLSA-N 1 0 302.462 4.244 20 30 DIEDRO C=CCC1(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CCCC1 ZINC000928006577 1043732747 /nfs/dbraw/zinc/73/27/47/1043732747.db2.gz VUPIRYKBZJHYDA-UHFFFAOYSA-N 1 0 318.505 4.036 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1ccncc1 ZINC000877046729 1043737230 /nfs/dbraw/zinc/73/72/30/1043737230.db2.gz RMMRBAYFBPICFC-FXAWDEMLSA-N 1 0 310.441 4.284 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)CC[P@](C)(=O)OCC)c1ccncc1 ZINC000877046228 1043737888 /nfs/dbraw/zinc/73/78/88/1043737888.db2.gz JLMMPFPQGQHURZ-WDUKFBBWSA-N 1 0 310.378 4.011 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1ccncc1 ZINC000877046730 1043738272 /nfs/dbraw/zinc/73/82/72/1043738272.db2.gz RMMRBAYFBPICFC-PXNSSMCTSA-N 1 0 310.441 4.284 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc([S@](C)=O)cc1 ZINC000355213365 1043752775 /nfs/dbraw/zinc/75/27/75/1043752775.db2.gz FPPJOFWBMWFQCN-QFIPXVFZSA-N 1 0 313.466 4.002 20 30 DIEDRO C#CC1([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001168033531 1043752689 /nfs/dbraw/zinc/75/26/89/1043752689.db2.gz MBFSEVSGDOJUIT-CEQLMSFQSA-N 1 0 324.512 4.354 20 30 DIEDRO C#CCOc1ccc([C@H](C)Nc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000777699879 1043769183 /nfs/dbraw/zinc/76/91/83/1043769183.db2.gz FTYAWXJDJUXPJH-KRWDZBQOSA-N 1 0 322.452 4.242 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000877551348 1043775365 /nfs/dbraw/zinc/77/53/65/1043775365.db2.gz ZWGWCNCYBITISS-UWVGGRQHSA-N 1 0 319.758 4.344 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cc(C)ccc1C ZINC000877658369 1043786458 /nfs/dbraw/zinc/78/64/58/1043786458.db2.gz YJZABFVHFXHEKN-KRWDZBQOSA-N 1 0 313.832 4.464 20 30 DIEDRO CC(C)c1cc([C@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)[nH]n1 ZINC000877783971 1043797630 /nfs/dbraw/zinc/79/76/30/1043797630.db2.gz LZNXXVBKAQOENQ-HNNXBMFYSA-N 1 0 302.466 4.042 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC1(c2ccc(Br)cc2)CC1 ZINC000877806210 1043800332 /nfs/dbraw/zinc/80/03/32/1043800332.db2.gz WBVRLVFKNMXUEX-CYBMUJFWSA-N 1 0 321.262 4.010 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccccc1 ZINC000896020038 1043805886 /nfs/dbraw/zinc/80/58/86/1043805886.db2.gz ZMYPSZZRSFULIU-LJQANCHMSA-N 1 0 309.457 4.485 20 30 DIEDRO CC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000929334669 1043810816 /nfs/dbraw/zinc/81/08/16/1043810816.db2.gz WRIJLOVOTVWCGZ-QIJZBDPFSA-N 1 0 304.384 4.232 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3occc32)c(C(F)(F)F)c1 ZINC000356167075 1043819554 /nfs/dbraw/zinc/81/95/54/1043819554.db2.gz OWYPWVULLBCNCC-HNNXBMFYSA-N 1 0 320.314 4.337 20 30 DIEDRO C=CC[C@@H](C)[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000877919997 1043823644 /nfs/dbraw/zinc/82/36/44/1043823644.db2.gz AKENBNRVLGFFRK-LLVKDONJSA-N 1 0 315.244 4.218 20 30 DIEDRO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(Cl)cc(C#N)c2)s1 ZINC000929602360 1043827590 /nfs/dbraw/zinc/82/75/90/1043827590.db2.gz ZHAUTABVCOWIMW-NSHDSACASA-N 1 0 319.861 4.478 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CCC1 ZINC000929832986 1043844318 /nfs/dbraw/zinc/84/43/18/1043844318.db2.gz WSWPHCNSAIPMCA-IRXDYDNUSA-N 1 0 316.445 4.032 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CCC1 ZINC000929832984 1043844552 /nfs/dbraw/zinc/84/45/52/1043844552.db2.gz WSWPHCNSAIPMCA-IAGOWNOFSA-N 1 0 316.445 4.032 20 30 DIEDRO C=CCCC1(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)CC1 ZINC000356512507 1043845517 /nfs/dbraw/zinc/84/55/17/1043845517.db2.gz ICCOCEURMCCNCN-UHFFFAOYSA-N 1 0 312.457 4.343 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000929872527 1043848696 /nfs/dbraw/zinc/84/86/96/1043848696.db2.gz HISIKICUNRYJQM-WIXQSORDSA-N 1 0 319.452 4.223 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000878134378 1043852261 /nfs/dbraw/zinc/85/22/61/1043852261.db2.gz PCBYTBUOWDGSMB-XRULBBBTSA-N 1 0 324.468 4.080 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)C(C)C ZINC000929982286 1043861640 /nfs/dbraw/zinc/86/16/40/1043861640.db2.gz SGYQUSRZZWTOSN-LJQANCHMSA-N 1 0 307.441 4.365 20 30 DIEDRO N#CC1CCC(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000929981292 1043863823 /nfs/dbraw/zinc/86/38/23/1043863823.db2.gz KHDXSOGRQJFYET-UHFFFAOYSA-N 1 0 322.456 4.072 20 30 DIEDRO N#CC1(CCCC[NH2+][C@H](Cn2cccn2)c2ccccc2)CCC1 ZINC000929995664 1043864275 /nfs/dbraw/zinc/86/42/75/1043864275.db2.gz SVYJMHBUAJXANK-LJQANCHMSA-N 1 0 322.456 4.078 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000878360959 1043875733 /nfs/dbraw/zinc/87/57/33/1043875733.db2.gz KHVGNIKFUXWDHZ-HIFRSBDPSA-N 1 0 308.372 4.065 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cncc(C#N)c1 ZINC000930096442 1043876115 /nfs/dbraw/zinc/87/61/15/1043876115.db2.gz QFSSEKDKFBIAQT-CYBMUJFWSA-N 1 0 314.458 4.035 20 30 DIEDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000878398333 1043881854 /nfs/dbraw/zinc/88/18/54/1043881854.db2.gz BJZCIYMZAFIQKQ-CEQIKUNHSA-N 1 0 320.436 4.301 20 30 DIEDRO CCC[C@H]1CCCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878428658 1043893441 /nfs/dbraw/zinc/89/34/41/1043893441.db2.gz VZXRRUGHULIQFQ-PMACEKPBSA-N 1 0 312.457 4.082 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474714410 1043899323 /nfs/dbraw/zinc/89/93/23/1043899323.db2.gz ZPXPTQURFVTNAP-LSDHHAIUSA-N 1 0 306.881 4.072 20 30 DIEDRO COC[C@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000930231456 1043900892 /nfs/dbraw/zinc/90/08/92/1043900892.db2.gz REAVBCDNFJADDM-KRWDZBQOSA-N 1 0 322.399 4.106 20 30 DIEDRO C#CCCCCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000878615491 1043905004 /nfs/dbraw/zinc/90/50/04/1043905004.db2.gz DTYCZMZNMCAYSN-INIZCTEOSA-N 1 0 301.434 4.058 20 30 DIEDRO CC1(C)CC[C@H](C[NH2+][C@@H](CCCC#N)c2ccccc2)OC1 ZINC000878648513 1043910523 /nfs/dbraw/zinc/91/05/23/1043910523.db2.gz PHCSFLWXDWNJSP-MSOLQXFVSA-N 1 0 300.446 4.216 20 30 DIEDRO CCC[N@H+](Cc1cc(Br)ccc1C#N)[C@@H](C)CC ZINC001141894727 1043923193 /nfs/dbraw/zinc/92/31/93/1043923193.db2.gz RLMVHXXJRXQTQI-LBPRGKRZSA-N 1 0 309.251 4.331 20 30 DIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CC3CCC(C#N)CC3)nc2c1 ZINC000930487840 1043932228 /nfs/dbraw/zinc/93/22/28/1043932228.db2.gz XAYIHISFHORIJP-LADRWXRNSA-N 1 0 322.456 4.338 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000930554020 1043940325 /nfs/dbraw/zinc/94/03/25/1043940325.db2.gz DYQYFXIHGMZUSZ-UHFFFAOYSA-N 1 0 323.396 4.108 20 30 DIEDRO Cc1cccc([C@H](O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000930571804 1043941829 /nfs/dbraw/zinc/94/18/29/1043941829.db2.gz YIWUOJAVDHENBZ-WOJBJXKFSA-N 1 0 308.425 4.053 20 30 DIEDRO N#Cc1cccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)c1 ZINC000185717443 1043956956 /nfs/dbraw/zinc/95/69/56/1043956956.db2.gz MTCIIRREJYNFPF-UHFFFAOYSA-N 1 0 320.436 4.035 20 30 DIEDRO C=CC1(CC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CCCCC1 ZINC000930710003 1043957954 /nfs/dbraw/zinc/95/79/54/1043957954.db2.gz LXQHUIPUBHWUAJ-UHFFFAOYSA-N 1 0 320.521 4.092 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1cccc(OC)c1OC ZINC000879466847 1043968024 /nfs/dbraw/zinc/96/80/24/1043968024.db2.gz WOLIMLNVJXDMHC-SFHVURJKSA-N 1 0 324.424 4.125 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccn1 ZINC000896661737 1043975328 /nfs/dbraw/zinc/97/53/28/1043975328.db2.gz VUYOUFDTCVFNRF-UHFFFAOYSA-N 1 0 319.452 4.295 20 30 DIEDRO CC(C)Cn1cc[nH+]c1NCc1ccc(C#N)cc1C(F)(F)F ZINC000357699993 1043976931 /nfs/dbraw/zinc/97/69/31/1043976931.db2.gz FCUVQXPTLMRUMB-UHFFFAOYSA-N 1 0 322.334 4.042 20 30 DIEDRO N#Cc1ccc(Br)cc1CN1CCCC2(CCC2)C1 ZINC001141907515 1043987473 /nfs/dbraw/zinc/98/74/73/1043987473.db2.gz FAQRSNCMMOIEQJ-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000931171503 1043998483 /nfs/dbraw/zinc/99/84/83/1043998483.db2.gz CGTUAUSAHKBWFT-SFHVURJKSA-N 1 0 311.816 4.238 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000931171501 1043999111 /nfs/dbraw/zinc/99/91/11/1043999111.db2.gz CGTUAUSAHKBWFT-GOSISDBHSA-N 1 0 311.816 4.238 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000561749556 1044000523 /nfs/dbraw/zinc/00/05/23/1044000523.db2.gz ZKWNSYSATZZIIP-DJJJIMSYSA-N 1 0 313.372 4.002 20 30 DIEDRO Cc1csc([C@@H]2CC[N@H+](CCC3(C#N)CCCCC3)C2)n1 ZINC000880011154 1044007184 /nfs/dbraw/zinc/00/71/84/1044007184.db2.gz ICGQCVDFCGGJNZ-OAHLLOKOSA-N 1 0 303.475 4.105 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)cc1 ZINC000237271043 1044033258 /nfs/dbraw/zinc/03/32/58/1044033258.db2.gz PWEOBPZYPIYWHB-OAQYLSRUSA-N 1 0 323.436 4.194 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880457204 1044042563 /nfs/dbraw/zinc/04/25/63/1044042563.db2.gz KSVJPUYMVRWIKK-UHFFFAOYSA-N 1 0 312.457 4.023 20 30 DIEDRO COc1ccc(C[N@H+](Cc2cccs2)C(C)C)cc1C#N ZINC000087833262 1044048692 /nfs/dbraw/zinc/04/86/92/1044048692.db2.gz VXWJXCZOKKAJCT-UHFFFAOYSA-N 1 0 300.427 4.039 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000358293294 1044049881 /nfs/dbraw/zinc/04/98/81/1044049881.db2.gz YAMBHHZVKQILGD-GFCCVEGCSA-N 1 0 322.499 4.423 20 30 DIEDRO N#CCC[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000358338933 1044056784 /nfs/dbraw/zinc/05/67/84/1044056784.db2.gz HLNILESQLFJVMQ-OALUTQOASA-N 1 0 310.828 4.442 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC000358409548 1044067263 /nfs/dbraw/zinc/06/72/63/1044067263.db2.gz WRMBSIUFLAFCTC-IBGZPJMESA-N 1 0 314.473 4.075 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000562202106 1044081670 /nfs/dbraw/zinc/08/16/70/1044081670.db2.gz KDBQIJFXTMGFKW-NWDGAFQWSA-N 1 0 319.861 4.292 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000562202108 1044082499 /nfs/dbraw/zinc/08/24/99/1044082499.db2.gz KDBQIJFXTMGFKW-RYUDHWBXSA-N 1 0 319.861 4.292 20 30 DIEDRO FC(F)(F)CCCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917880 1044085588 /nfs/dbraw/zinc/08/55/88/1044085588.db2.gz MHXXHPNBYIAYIN-VIFPVBQESA-N 1 0 307.253 4.085 20 30 DIEDRO C=C(Cl)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000380200063 1044095319 /nfs/dbraw/zinc/09/53/19/1044095319.db2.gz SSAYGRGTTVFCRY-NSHDSACASA-N 1 0 306.656 4.304 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000562350815 1044103097 /nfs/dbraw/zinc/10/30/97/1044103097.db2.gz WAXAEGAQWDOTHC-HNNXBMFYSA-N 1 0 315.461 4.368 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932199485 1044109623 /nfs/dbraw/zinc/10/96/23/1044109623.db2.gz ROUUPQOOFAKWAM-GOEBONIOSA-N 1 0 311.454 4.030 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932213808 1044110643 /nfs/dbraw/zinc/11/06/43/1044110643.db2.gz AUIKEGDNFGDLDR-LJQANCHMSA-N 1 0 318.420 4.403 20 30 DIEDRO CC(C)C[C@@H]([NH2+]CCCC#N)c1cccc(Br)c1 ZINC000358991203 1044119141 /nfs/dbraw/zinc/11/91/41/1044119141.db2.gz UDJAQURKNURZBX-OAHLLOKOSA-N 1 0 309.251 4.430 20 30 DIEDRO CC[C@@H]([NH2+]CC1(OC)CCC(C)CC1)c1ccc(C#N)cc1 ZINC000359029437 1044123328 /nfs/dbraw/zinc/12/33/28/1044123328.db2.gz KLTZSYVEQKHDRW-ZCDLSOSASA-N 1 0 300.446 4.194 20 30 DIEDRO CC[C@@H](NCc1ccc(F)cc1C#N)c1cc(F)ccc1OC ZINC000932474811 1044133836 /nfs/dbraw/zinc/13/38/36/1044133836.db2.gz MAEWRIPOKNOOPL-QGZVFWFLSA-N 1 0 316.351 4.086 20 30 DIEDRO N#CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000346803431 1044141296 /nfs/dbraw/zinc/14/12/96/1044141296.db2.gz VZJSKBBQXPZFTH-FQEVSTJZSA-N 1 0 319.383 4.357 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccccc1 ZINC000346781192 1044141767 /nfs/dbraw/zinc/14/17/67/1044141767.db2.gz PVSJYWBDFRAYMQ-HNNXBMFYSA-N 1 0 324.424 4.018 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c(C)c1 ZINC000443997337 1044148498 /nfs/dbraw/zinc/14/84/98/1044148498.db2.gz WVIXADFLJGAPPN-UHFFFAOYSA-N 1 0 308.425 4.254 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000129458653 1044152702 /nfs/dbraw/zinc/15/27/02/1044152702.db2.gz ZWIXMBGEHSGMOY-HNNXBMFYSA-N 1 0 311.425 4.283 20 30 DIEDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000359295142 1044153241 /nfs/dbraw/zinc/15/32/41/1044153241.db2.gz OIOHBLHMDXRJLI-YLJYHZDGSA-N 1 0 312.457 4.381 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)Nc1ccccc1 ZINC000562906725 1044178468 /nfs/dbraw/zinc/17/84/68/1044178468.db2.gz GNVPEYWFOSOHMT-RTWAWAEBSA-N 1 0 319.452 4.272 20 30 DIEDRO Cc1csc(C[C@@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000933125062 1044187067 /nfs/dbraw/zinc/18/70/67/1044187067.db2.gz FBASDWXLFOPFBF-HNNXBMFYSA-N 1 0 305.491 4.036 20 30 DIEDRO C#CCC1([NH2+][C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CCC1 ZINC000933304844 1044191978 /nfs/dbraw/zinc/19/19/78/1044191978.db2.gz UCIFBHDYHOFRGE-JKSUJKDBSA-N 1 0 312.457 4.063 20 30 DIEDRO N#Cc1cc(Br)ccc1CN1CCCC2(CCC2)C1 ZINC000347080268 1044193834 /nfs/dbraw/zinc/19/38/34/1044193834.db2.gz IYCIFUXFGJNZJP-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO CC(C)c1ccc([C@@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933647825 1044204074 /nfs/dbraw/zinc/20/40/74/1044204074.db2.gz IGGJNCNLGACMBR-MRXNPFEDSA-N 1 0 313.441 4.209 20 30 DIEDRO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651343 1044204163 /nfs/dbraw/zinc/20/41/63/1044204163.db2.gz DRIKDHKTFGYCNQ-QGZVFWFLSA-N 1 0 319.832 4.129 20 30 DIEDRO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000130801213 1044215552 /nfs/dbraw/zinc/21/55/52/1044215552.db2.gz HNBNDBPPUZELIE-DLBZAZTESA-N 1 0 308.425 4.479 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000347243959 1044215458 /nfs/dbraw/zinc/21/54/58/1044215458.db2.gz CXUJLWDMVLHNHW-YOEHRIQHSA-N 1 0 310.397 4.133 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1cccs1)C(C)C ZINC000347264491 1044221280 /nfs/dbraw/zinc/22/12/80/1044221280.db2.gz JVMYGQQWPGYUQK-UHFFFAOYSA-N 1 0 300.427 4.039 20 30 DIEDRO COCc1c(C)cc(C)c(C[NH2+]CC(C)(C)CCC#N)c1C ZINC000883120245 1044223391 /nfs/dbraw/zinc/22/33/91/1044223391.db2.gz XRAOZRGONAZEBS-UHFFFAOYSA-N 1 0 302.462 4.178 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@@H]1CCCO1 ZINC000883178088 1044230112 /nfs/dbraw/zinc/23/01/12/1044230112.db2.gz OQQLCZOYCFFEHB-GJZGRUSLSA-N 1 0 318.442 4.007 20 30 DIEDRO CCC[N@H+](CCCCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000934191616 1044230873 /nfs/dbraw/zinc/23/08/73/1044230873.db2.gz SQFCPQUJDXCZFI-UHFFFAOYSA-N 1 0 313.489 4.057 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@@H]1CCCO1 ZINC000883199114 1044231396 /nfs/dbraw/zinc/23/13/96/1044231396.db2.gz XEWUFVWLTRLBEK-GJZGRUSLSA-N 1 0 318.442 4.007 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@H]1CCCO1 ZINC000883199115 1044231474 /nfs/dbraw/zinc/23/14/74/1044231474.db2.gz XEWUFVWLTRLBEK-HUUCEWRRSA-N 1 0 318.442 4.007 20 30 DIEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1c(C)noc1C ZINC000883190934 1044232766 /nfs/dbraw/zinc/23/27/66/1044232766.db2.gz OKWROBCXEQEGAE-KXBFYZLASA-N 1 0 312.457 4.390 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000883216913 1044236259 /nfs/dbraw/zinc/23/62/59/1044236259.db2.gz XVXNYCDNLZMOEY-WCIQWLHISA-N 1 0 315.457 4.010 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000883218645 1044236548 /nfs/dbraw/zinc/23/65/48/1044236548.db2.gz FGBWUGROGSNYHH-FOIPXRHGSA-N 1 0 309.494 4.074 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)c1 ZINC000883227025 1044239421 /nfs/dbraw/zinc/23/94/21/1044239421.db2.gz JXWQHJUVZNRUGV-NRFANRHFSA-N 1 0 323.411 4.065 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000883240986 1044241982 /nfs/dbraw/zinc/24/19/82/1044241982.db2.gz JBBFINJANLSHLX-FOIPXRHGSA-N 1 0 309.494 4.216 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)OC)c1ccc(C(F)(F)F)cc1 ZINC000360210030 1044245266 /nfs/dbraw/zinc/24/52/66/1044245266.db2.gz UMGOOHRFFHHPGA-DOMZBBRYSA-N 1 0 301.352 4.337 20 30 DIEDRO CC(C)(C[NH2+]Cc1cccc(OCCCC#N)c1)CC(F)F ZINC000883251932 1044245842 /nfs/dbraw/zinc/24/58/42/1044245842.db2.gz KFPKARKMIMPHSM-UHFFFAOYSA-N 1 0 310.388 4.140 20 30 DIEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000934472737 1044252079 /nfs/dbraw/zinc/25/20/79/1044252079.db2.gz SPLBMIYSCKRGCW-FZMZJTMJSA-N 1 0 303.793 4.101 20 30 DIEDRO COc1ccc(C2CC2)cc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000883265704 1044253257 /nfs/dbraw/zinc/25/32/57/1044253257.db2.gz IOJXYPQIFOCLNA-CQSZACIVSA-N 1 0 306.409 4.295 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CC[C@H]2CCCC2(F)F)c1 ZINC000883266314 1044253311 /nfs/dbraw/zinc/25/33/11/1044253311.db2.gz XCTCEINBIKOSRR-MRXNPFEDSA-N 1 0 322.399 4.284 20 30 DIEDRO CCCN(CCC#N)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168055693 1044264883 /nfs/dbraw/zinc/26/48/83/1044264883.db2.gz XOZBHUQRAQLKGN-QZTJIDSGSA-N 1 0 313.489 4.054 20 30 DIEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+]C1(c2ncccn2)CCC1 ZINC000883311408 1044266164 /nfs/dbraw/zinc/26/61/64/1044266164.db2.gz YUXOEVCCZLRRGB-SFHVURJKSA-N 1 0 307.441 4.023 20 30 DIEDRO C=CCCCCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000563482364 1044267806 /nfs/dbraw/zinc/26/78/06/1044267806.db2.gz LRAWUMROBAXEFY-QZTJIDSGSA-N 1 0 308.416 4.046 20 30 DIEDRO C=CCCCCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000563482361 1044268498 /nfs/dbraw/zinc/26/84/98/1044268498.db2.gz LRAWUMROBAXEFY-MSOLQXFVSA-N 1 0 308.416 4.046 20 30 DIEDRO C=CCCC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000883326861 1044273064 /nfs/dbraw/zinc/27/30/64/1044273064.db2.gz LXPDPCLVEQNAEE-RTBURBONSA-N 1 0 309.457 4.485 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(O)ccc1Cl ZINC000883326243 1044274568 /nfs/dbraw/zinc/27/45/68/1044274568.db2.gz WMPSBQTYRDNQFI-SFHVURJKSA-N 1 0 312.800 4.084 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnc(Cl)n1C)c1ccccc1 ZINC000883324852 1044274628 /nfs/dbraw/zinc/27/46/28/1044274628.db2.gz GUDKHJKADOVOFE-MRXNPFEDSA-N 1 0 303.837 4.261 20 30 DIEDRO COc1cccc2c1OCCC[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000883331140 1044279448 /nfs/dbraw/zinc/27/94/48/1044279448.db2.gz SUBFEKBTQYGTFJ-KBXCAEBGSA-N 1 0 322.408 4.131 20 30 DIEDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360646015 1044294224 /nfs/dbraw/zinc/29/42/24/1044294224.db2.gz GELVCQQPNPUJKB-RBZFPXEDSA-N 1 0 323.440 4.151 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc2c(c1)COC2 ZINC000360658661 1044295409 /nfs/dbraw/zinc/29/54/09/1044295409.db2.gz UOGNAUKMZPEMOI-NRFANRHFSA-N 1 0 318.420 4.146 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 ZINC000360654974 1044296493 /nfs/dbraw/zinc/29/64/93/1044296493.db2.gz BCLRZMGDBGMVLD-PMACEKPBSA-N 1 0 305.425 4.462 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCOCc1ccccc1 ZINC000360657916 1044296605 /nfs/dbraw/zinc/29/66/05/1044296605.db2.gz PODXZSMRCXDMRX-OAQYLSRUSA-N 1 0 320.436 4.132 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883384451 1044297083 /nfs/dbraw/zinc/29/70/83/1044297083.db2.gz RNXHOIVJDQKVTO-LZLYRXPVSA-N 1 0 315.457 4.250 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000186187134 1044301413 /nfs/dbraw/zinc/30/14/13/1044301413.db2.gz WMDLBPGCYXNGKX-UHFFFAOYSA-N 1 0 303.409 4.149 20 30 DIEDRO C=CCCC[N@@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000523008068 1044303156 /nfs/dbraw/zinc/30/31/56/1044303156.db2.gz FFONGOYGDPTEHR-UHFFFAOYSA-N 1 0 322.452 4.118 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000523008138 1044306525 /nfs/dbraw/zinc/30/65/25/1044306525.db2.gz HYXHAAKXLUMTBF-QGZVFWFLSA-N 1 0 310.397 4.147 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2C)s1 ZINC000186239754 1044309341 /nfs/dbraw/zinc/30/93/41/1044309341.db2.gz BOYUDXPRCIJPSC-CQSZACIVSA-N 1 0 313.470 4.387 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)c1 ZINC000360773369 1044310730 /nfs/dbraw/zinc/31/07/30/1044310730.db2.gz RROGPDHWUKSPKT-KBPBESRZSA-N 1 0 300.402 4.185 20 30 DIEDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360842444 1044318103 /nfs/dbraw/zinc/31/81/03/1044318103.db2.gz WFTLUGCWNLFAAM-VFNWGFHPSA-N 1 0 320.436 4.252 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2c(C)c3ccccc3n2C)c1 ZINC000475197345 1044320280 /nfs/dbraw/zinc/32/02/80/1044320280.db2.gz UAJLEGGNYSSFMO-UHFFFAOYSA-N 1 0 320.436 4.341 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCCCS1 ZINC000360874404 1044321781 /nfs/dbraw/zinc/32/17/81/1044321781.db2.gz SNUZGIUZHVYUAY-AEFFLSMTSA-N 1 0 300.471 4.201 20 30 DIEDRO COC[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(Cl)c1F ZINC000348243080 1044343570 /nfs/dbraw/zinc/34/35/70/1044343570.db2.gz KQYPDXXIGYQEJL-AWEZNQCLSA-N 1 0 312.816 4.086 20 30 DIEDRO C=CCCc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000564168611 1044351899 /nfs/dbraw/zinc/35/18/99/1044351899.db2.gz BVUMJMZYSJHWQO-INIZCTEOSA-N 1 0 317.477 4.047 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1nc2ccc(Cl)cc2n1C ZINC000348249772 1044358136 /nfs/dbraw/zinc/35/81/36/1044358136.db2.gz ZCABARWBOJIHRV-LBPRGKRZSA-N 1 0 318.852 4.207 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000475317515 1044358505 /nfs/dbraw/zinc/35/85/05/1044358505.db2.gz ZZYFNYFFLJKTMB-QAPCUYQASA-N 1 0 309.400 4.113 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000475335146 1044366651 /nfs/dbraw/zinc/36/66/51/1044366651.db2.gz LXXQMRGZCKDKLY-ZBFHGGJFSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000475342868 1044371455 /nfs/dbraw/zinc/37/14/55/1044371455.db2.gz MDHUOURUTUSLPW-CRAIPNDOSA-N 1 0 312.363 4.262 20 30 DIEDRO COc1ccc([C@H](CCC#N)[NH2+]CCc2ccc(C)cc2)cc1 ZINC000564704248 1044400310 /nfs/dbraw/zinc/40/03/10/1044400310.db2.gz VYNKHNMQLMJMSH-FQEVSTJZSA-N 1 0 308.425 4.181 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000133529073 1044411807 /nfs/dbraw/zinc/41/18/07/1044411807.db2.gz KIGCSFDRNBSIIP-OXQOHEQNSA-N 1 0 321.420 4.263 20 30 DIEDRO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000361552272 1044417162 /nfs/dbraw/zinc/41/71/62/1044417162.db2.gz KJPFAMALMIQZIQ-KSSFIOAISA-N 1 0 311.429 4.025 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(-n2ccnc2)cc1C ZINC000361861837 1044453330 /nfs/dbraw/zinc/45/33/30/1044453330.db2.gz IFGCBJOWYRIZJR-UHFFFAOYSA-N 1 0 321.424 4.004 20 30 DIEDRO C[C@@H](CC#N)[N@H+](C)CC(Cc1ccccc1)Cc1ccccc1 ZINC000565747568 1044454660 /nfs/dbraw/zinc/45/46/60/1044454660.db2.gz MZQWRWIQPUEYCY-SFHVURJKSA-N 1 0 306.453 4.322 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(C)c1O ZINC000565860212 1044460821 /nfs/dbraw/zinc/46/08/21/1044460821.db2.gz LYLCWVGZXHUIIO-WOJBJXKFSA-N 1 0 320.436 4.281 20 30 DIEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC001202676349 1044461460 /nfs/dbraw/zinc/46/14/60/1044461460.db2.gz KTXCAFJUOYFTJD-LPHOPBHVSA-N 1 0 300.446 4.428 20 30 DIEDRO N#CCC[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000362033081 1044471965 /nfs/dbraw/zinc/47/19/65/1044471965.db2.gz SCGMZFJDMVEEGD-MJGOQNOKSA-N 1 0 306.409 4.187 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000117871790 1044479702 /nfs/dbraw/zinc/47/97/02/1044479702.db2.gz NPYMETZBNFCJKY-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO CC(C)CCOC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393465 1044484306 /nfs/dbraw/zinc/48/43/06/1044484306.db2.gz KWLBWAOACYYKEJ-MRXNPFEDSA-N 1 0 300.446 4.146 20 30 DIEDRO C=C(Br)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000134401752 1044528333 /nfs/dbraw/zinc/52/83/33/1044528333.db2.gz KWUNWTLNINFNNJ-UHFFFAOYSA-N 1 0 308.244 4.413 20 30 DIEDRO CC(C)OCCC[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000566945103 1044530826 /nfs/dbraw/zinc/53/08/26/1044530826.db2.gz RHVGIRBFSOJJRQ-UHFFFAOYSA-N 1 0 322.452 4.472 20 30 DIEDRO N#Cc1c(C[NH+]2CCC(c3ccsc3)CC2)cn2ccccc12 ZINC000362669299 1044542309 /nfs/dbraw/zinc/54/23/09/1044542309.db2.gz UBYRCZWWLJOFKM-UHFFFAOYSA-N 1 0 321.449 4.252 20 30 DIEDRO C=CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1C)c1ccccc1 ZINC000909603232 1044542646 /nfs/dbraw/zinc/54/26/46/1044542646.db2.gz ZZCSLBIPDJGNAQ-IBGZPJMESA-N 1 0 322.452 4.355 20 30 DIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000567120987 1044543983 /nfs/dbraw/zinc/54/39/83/1044543983.db2.gz VNVXJWJVTRJBSH-WOJBJXKFSA-N 1 0 305.425 4.111 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@H+](CC)Cc2ccccc2)c1O ZINC000216156565 1044549059 /nfs/dbraw/zinc/54/90/59/1044549059.db2.gz IQIFOVPHBMJAKV-UHFFFAOYSA-N 1 0 311.425 4.151 20 30 DIEDRO C[C@H](C#N)C[N@H+](C)CC(Cc1ccccc1)Cc1ccccc1 ZINC000567205586 1044551197 /nfs/dbraw/zinc/55/11/97/1044551197.db2.gz QMTBZJDTUQYORB-GOSISDBHSA-N 1 0 306.453 4.179 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000567458982 1044567709 /nfs/dbraw/zinc/56/77/09/1044567709.db2.gz DLXSLGXDZYNYAD-RTBURBONSA-N 1 0 305.425 4.236 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)CCCOc1ccc(F)cc1 ZINC000444587464 1044571029 /nfs/dbraw/zinc/57/10/29/1044571029.db2.gz AUJQMSRNOVILAI-UHFFFAOYSA-N 1 0 306.425 4.246 20 30 DIEDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362963957 1044572133 /nfs/dbraw/zinc/57/21/33/1044572133.db2.gz QXDGPTLWSNABJR-QGZVFWFLSA-N 1 0 324.428 4.009 20 30 DIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000567612364 1044576188 /nfs/dbraw/zinc/57/61/88/1044576188.db2.gz LHRBBTTUCKNHBB-UHFFFAOYSA-N 1 0 308.425 4.221 20 30 DIEDRO COc1cccc2c(C[NH+]3CCC(CCC#N)CC3)cccc12 ZINC000567614544 1044576915 /nfs/dbraw/zinc/57/69/15/1044576915.db2.gz XUSUBZHGVZRAOS-UHFFFAOYSA-N 1 0 308.425 4.364 20 30 DIEDRO CC(C)[C@H](CO)[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444650774 1044582478 /nfs/dbraw/zinc/58/24/78/1044582478.db2.gz NMOJMQDTRKBYSR-IBGZPJMESA-N 1 0 316.489 4.226 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000444647707 1044583237 /nfs/dbraw/zinc/58/32/37/1044583237.db2.gz LXDXGCJCZAYNDP-LJQANCHMSA-N 1 0 313.489 4.307 20 30 DIEDRO COc1cncc(/C=C\CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000567790200 1044585242 /nfs/dbraw/zinc/58/52/42/1044585242.db2.gz RTKSTOOIAIYZCW-HQQUCIOCSA-N 1 0 321.424 4.058 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000568003471 1044596267 /nfs/dbraw/zinc/59/62/67/1044596267.db2.gz LLBNFXXKNXIHIB-VQTJNVASSA-N 1 0 313.416 4.026 20 30 DIEDRO C[C@@]1(F)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444675010 1044598007 /nfs/dbraw/zinc/59/80/07/1044598007.db2.gz QDXCKYHKELDMRL-HXUWFJFHSA-N 1 0 322.427 4.320 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1Oc2ccccc2[C@@H]1C ZINC000444670458 1044599202 /nfs/dbraw/zinc/59/92/02/1044599202.db2.gz IPQWZYRZYGAHCG-MPGHIAIKSA-N 1 0 300.446 4.249 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]CCCCC(C)(C)C#N)cc1OC ZINC000444683162 1044600590 /nfs/dbraw/zinc/60/05/90/1044600590.db2.gz DQZCIWCCOZGGGL-HNNXBMFYSA-N 1 0 318.461 4.465 20 30 DIEDRO CCc1ccc([C@@H]2CN(CCCCC(C)(C)C#N)CCO2)cc1 ZINC000444718974 1044612669 /nfs/dbraw/zinc/61/26/69/1044612669.db2.gz XMVCHEBUELXTKW-IBGZPJMESA-N 1 0 314.473 4.342 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2cccc(NC(C)=O)c2)CCCC1(C)C ZINC000444781217 1044619711 /nfs/dbraw/zinc/61/97/11/1044619711.db2.gz GKLYQEMRZFZACW-SFHVURJKSA-N 1 0 300.446 4.212 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1 ZINC000296468375 1044620350 /nfs/dbraw/zinc/62/03/50/1044620350.db2.gz NQQUEHPSWKBWNC-HNNXBMFYSA-N 1 0 319.330 4.213 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2nc(C3CCCC3)no2)CCCC1(C)C ZINC000444781255 1044620790 /nfs/dbraw/zinc/62/07/90/1044620790.db2.gz HCYKRKIFKIYNKK-OAHLLOKOSA-N 1 0 303.450 4.294 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3cscc3Cl)cc2)CC1 ZINC000886197780 1044624805 /nfs/dbraw/zinc/62/48/05/1044624805.db2.gz MDXPVUQQBNGDQR-UHFFFAOYSA-N 1 0 302.830 4.246 20 30 DIEDRO N#CCCC[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccccc1 ZINC000886216239 1044627279 /nfs/dbraw/zinc/62/72/79/1044627279.db2.gz ZRIIBIVEVDOEBI-MOPGFXCFSA-N 1 0 312.457 4.360 20 30 DIEDRO COc1cc(C[NH2+][C@H](CC2CC2)c2ccccc2)ccc1C#N ZINC000568450997 1044627494 /nfs/dbraw/zinc/62/74/94/1044627494.db2.gz BLXZMACBLIWELK-LJQANCHMSA-N 1 0 306.409 4.198 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2csc([C@@H](C)OC)n2)CCCC1(C)C ZINC000444786992 1044630699 /nfs/dbraw/zinc/63/06/99/1044630699.db2.gz PPBCWQVAOPRVHM-UKRRQHHQSA-N 1 0 308.491 4.417 20 30 DIEDRO C[C@@]1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCOC2(CCC2)C1 ZINC000886343090 1044631493 /nfs/dbraw/zinc/63/14/93/1044631493.db2.gz QCBUVISWOHQCPF-LJQANCHMSA-N 1 0 324.468 4.071 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000886360570 1044634151 /nfs/dbraw/zinc/63/41/51/1044634151.db2.gz YBXOTFNJVRSIQI-CQSZACIVSA-N 1 0 314.816 4.149 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccccc2COC(C)C)ccc1C#N ZINC000568588429 1044639016 /nfs/dbraw/zinc/63/90/16/1044639016.db2.gz JTBFENKACFUNSL-UHFFFAOYSA-N 1 0 308.425 4.082 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(-c3ccccc3)cs2)CCOCC1 ZINC000886381613 1044640363 /nfs/dbraw/zinc/64/03/63/1044640363.db2.gz KHKUCWOPEBDZMY-UHFFFAOYSA-N 1 0 311.450 4.077 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCCc4nc(Cl)ccc43)CC2)c1 ZINC000296668287 1044642046 /nfs/dbraw/zinc/64/20/46/1044642046.db2.gz FQBDUVGWANNOCB-QGZVFWFLSA-N 1 0 323.827 4.263 20 30 DIEDRO CSc1cc(C)ccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000568804405 1044652933 /nfs/dbraw/zinc/65/29/33/1044652933.db2.gz WDXMGSVRYYKMPA-SFHVURJKSA-N 1 0 308.450 4.366 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000363949744 1044657299 /nfs/dbraw/zinc/65/72/99/1044657299.db2.gz PUIFXFZGLXXGNH-INIZCTEOSA-N 1 0 318.420 4.141 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000367173655 1044658519 /nfs/dbraw/zinc/65/85/19/1044658519.db2.gz MMXPGWJHEBOLOF-ZDUSSCGKSA-N 1 0 302.384 4.371 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000886542488 1044659321 /nfs/dbraw/zinc/65/93/21/1044659321.db2.gz AWMQWSOJRINYME-MJGOQNOKSA-N 1 0 312.457 4.170 20 30 DIEDRO C=C(C)CN1CC[C@]2(CCC[N@H+]2CC[C@@H](C)CC(C)(C)C)C1=O ZINC001275888720 1044660842 /nfs/dbraw/zinc/66/08/42/1044660842.db2.gz KKAUYGBEQWITKO-YLJYHZDGSA-N 1 0 320.521 4.092 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000364831613 1044679305 /nfs/dbraw/zinc/67/93/05/1044679305.db2.gz UWAGGVNKYFAJAA-IBGZPJMESA-N 1 0 307.441 4.481 20 30 DIEDRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886690106 1044680752 /nfs/dbraw/zinc/68/07/52/1044680752.db2.gz OMDJGCNJXBPFAZ-NSHDSACASA-N 1 0 318.467 4.201 20 30 DIEDRO CSc1ccc(C[NH2+]C2CCC(C(F)F)CC2)cc1C#N ZINC000886690530 1044681283 /nfs/dbraw/zinc/68/12/83/1044681283.db2.gz XNKFIKSGQLWWOX-UHFFFAOYSA-N 1 0 310.413 4.194 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1ccccn1 ZINC000886687870 1044681520 /nfs/dbraw/zinc/68/15/20/1044681520.db2.gz GSLRKMIKSVTRBK-INIZCTEOSA-N 1 0 311.454 4.306 20 30 DIEDRO C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000886773863 1044695175 /nfs/dbraw/zinc/69/51/75/1044695175.db2.gz CHIVAOGYIVDPEJ-KSSFIOAISA-N 1 0 316.420 4.087 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000043643651 1044699242 /nfs/dbraw/zinc/69/92/42/1044699242.db2.gz CIIBJQSMKABKFP-UHFFFAOYSA-N 1 0 304.315 4.209 20 30 DIEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCCCC(C)(C)C#N)C1 ZINC000365799360 1044702766 /nfs/dbraw/zinc/70/27/66/1044702766.db2.gz MFYJDGUBPMXCFY-YRXWBPOGSA-N 1 0 320.521 4.358 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000523935840 1044703337 /nfs/dbraw/zinc/70/33/37/1044703337.db2.gz KNAUPPQJEJAYNR-KDOFPFPSSA-N 1 0 312.388 4.060 20 30 DIEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CCCCC(C)(C)C#N)C1 ZINC000365799359 1044703690 /nfs/dbraw/zinc/70/36/90/1044703690.db2.gz MFYJDGUBPMXCFY-XWSJACJDSA-N 1 0 320.521 4.358 20 30 DIEDRO CC[N@H+](Cc1ccc2c(n1)CCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000569806778 1044713811 /nfs/dbraw/zinc/71/38/11/1044713811.db2.gz ABWTUHSVECEXOC-OAHLLOKOSA-N 1 0 305.425 4.025 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000037507752 1044713754 /nfs/dbraw/zinc/71/37/54/1044713754.db2.gz BZEGEIBIYDUVAR-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)s2)c2ccc(F)cc2O1 ZINC000366245880 1044716154 /nfs/dbraw/zinc/71/61/54/1044716154.db2.gz KNWFTLTYZFOIDD-HNNXBMFYSA-N 1 0 316.401 4.151 20 30 DIEDRO CCCc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000367064946 1044730762 /nfs/dbraw/zinc/73/07/62/1044730762.db2.gz GFBKUHHQJJWIQH-UHFFFAOYSA-N 1 0 319.452 4.091 20 30 DIEDRO CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C#N)cn2)o1 ZINC000570173816 1044737546 /nfs/dbraw/zinc/73/75/46/1044737546.db2.gz PIDCREFGVMULIR-KSSFIOAISA-N 1 0 309.413 4.082 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(-c3ccsc3)cc2)CCOCC1 ZINC000887122073 1044753322 /nfs/dbraw/zinc/75/33/22/1044753322.db2.gz JWZGHUGFHHYCHK-UHFFFAOYSA-N 1 0 311.450 4.077 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1ccco1 ZINC000367738002 1044753338 /nfs/dbraw/zinc/75/33/38/1044753338.db2.gz QVHUJXZBNFPABR-IAGOWNOFSA-N 1 0 313.445 4.211 20 30 DIEDRO CC(C)n1ncc2c1[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000368158815 1044768534 /nfs/dbraw/zinc/76/85/34/1044768534.db2.gz JAONHXNYFXHSTH-KDOFPFPSSA-N 1 0 308.429 4.064 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@]1(C)CCCO1 ZINC000570640364 1044771470 /nfs/dbraw/zinc/77/14/70/1044771470.db2.gz JWFOTJISYBVKDA-IERDGZPVSA-N 1 0 320.436 4.272 20 30 DIEDRO C[NH+](C)CCOc1ccc(NCC(C)(C)CCC#N)cc1Cl ZINC000122415282 1044773823 /nfs/dbraw/zinc/77/38/23/1044773823.db2.gz ZBYWRLOVEVGSKE-UHFFFAOYSA-N 1 0 323.868 4.022 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCc2csc(-c3ccccc3)n2)c1 ZINC000156269842 1044783549 /nfs/dbraw/zinc/78/35/49/1044783549.db2.gz NRJRXPKALXPVDC-UHFFFAOYSA-N 1 0 319.433 4.014 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCC(F)(F)F)c(C(F)(F)F)c1 ZINC000571844690 1044830321 /nfs/dbraw/zinc/83/03/21/1044830321.db2.gz GITXEFNVAXVNFW-UHFFFAOYSA-N 1 0 310.241 4.009 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000571324781 1044807682 /nfs/dbraw/zinc/80/76/82/1044807682.db2.gz FDNYDHRDHLULOF-VQTJNVASSA-N 1 0 319.452 4.272 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](c3cc(F)cc(F)c3)C1)CC2 ZINC000571335201 1044807899 /nfs/dbraw/zinc/80/78/99/1044807899.db2.gz XCOPWQXAUKQENA-QSFXBCCZSA-N 1 0 324.374 4.360 20 30 DIEDRO C=CCCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000263710766 1044819530 /nfs/dbraw/zinc/81/95/30/1044819530.db2.gz WCHWQESASLSJFP-UHFFFAOYSA-N 1 0 300.446 4.356 20 30 DIEDRO CC1CCC(OC2CC[NH+](CCCC(C)(C)C#N)CC2)CC1 ZINC000369994822 1044820618 /nfs/dbraw/zinc/82/06/18/1044820618.db2.gz JDLSWBZSCBYYIW-UHFFFAOYSA-N 1 0 306.494 4.376 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000445882595 1044841864 /nfs/dbraw/zinc/84/18/64/1044841864.db2.gz BRMPWBUQHNKYHN-CQSZACIVSA-N 1 0 303.755 4.258 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC#Cc1ccccc1Cl ZINC000445895448 1044848850 /nfs/dbraw/zinc/84/88/50/1044848850.db2.gz GLZPPXMIOUENBJ-CQSZACIVSA-N 1 0 303.755 4.258 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000371392983 1044872195 /nfs/dbraw/zinc/87/21/95/1044872195.db2.gz WSJQUVMKBLJXDJ-KGLIPLIRSA-N 1 0 312.438 4.158 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000572796945 1044877819 /nfs/dbraw/zinc/87/78/19/1044877819.db2.gz CFXIJEQESVGFNZ-GOSISDBHSA-N 1 0 312.388 4.289 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000264558889 1044893031 /nfs/dbraw/zinc/89/30/31/1044893031.db2.gz NQXAMGVDMMYZBD-LJQANCHMSA-N 1 0 310.372 4.065 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1OC(F)F)c1ccc(C#N)cc1 ZINC000337562371 1044920577 /nfs/dbraw/zinc/92/05/77/1044920577.db2.gz WKBAXFSTGUUCQV-JYJNAYRXSA-N 1 0 308.372 4.149 20 30 DIEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@H](SC)C(C)(C)C)cc1 ZINC000573771741 1044921044 /nfs/dbraw/zinc/92/10/44/1044921044.db2.gz SJUIOVZGWKVDLH-IRXDYDNUSA-N 1 0 320.502 4.407 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000573847178 1044925885 /nfs/dbraw/zinc/92/58/85/1044925885.db2.gz DNXRPNSNWFKELC-WFXMLNOXSA-N 1 0 302.421 4.390 20 30 DIEDRO C=CCC[N@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000524812008 1044927095 /nfs/dbraw/zinc/92/70/95/1044927095.db2.gz WWEMUJQUZMWYGG-UHFFFAOYSA-N 1 0 315.436 4.437 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccc(C#N)cc1 ZINC000373210144 1044950478 /nfs/dbraw/zinc/95/04/78/1044950478.db2.gz YIXZRIMOZYOBAN-ABHNRTSZSA-N 1 0 324.428 4.017 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccncc1F ZINC000338019757 1044973763 /nfs/dbraw/zinc/97/37/63/1044973763.db2.gz NULLARSKSVTZQK-BFUOFWGJSA-N 1 0 309.388 4.211 20 30 DIEDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135316302 1044978810 /nfs/dbraw/zinc/97/88/10/1044978810.db2.gz ZFMORTSNPOUIDL-QGZVFWFLSA-N 1 0 324.428 4.009 20 30 DIEDRO COc1ccc(CCC2CC[NH+]([C@H](C)CCC#N)CC2)cc1 ZINC000411159447 1044979125 /nfs/dbraw/zinc/97/91/25/1044979125.db2.gz YKPCUEAYLINWHG-MRXNPFEDSA-N 1 0 300.446 4.032 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1cccc(C#N)c1 ZINC000411164130 1044981712 /nfs/dbraw/zinc/98/17/12/1044981712.db2.gz GTEURQNNZASLOK-MRXNPFEDSA-N 1 0 303.409 4.403 20 30 DIEDRO CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)CCC#N ZINC000411214639 1044985746 /nfs/dbraw/zinc/98/57/46/1044985746.db2.gz ZMIWZFRPTLMHBF-NSHDSACASA-N 1 0 313.214 4.102 20 30 DIEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411330162 1044998045 /nfs/dbraw/zinc/99/80/45/1044998045.db2.gz SIEXWFQDEHDZEP-MRXNPFEDSA-N 1 0 300.446 4.119 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000575355899 1044998710 /nfs/dbraw/zinc/99/87/10/1044998710.db2.gz NOXQBDWEQBSGOY-TZMCWYRMSA-N 1 0 314.326 4.156 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)CC(C)(C)C#N)cc1 ZINC000925185557 1045015347 /nfs/dbraw/zinc/01/53/47/1045015347.db2.gz DFZJZMKNXWBMOU-NEWSRXKRSA-N 1 0 314.473 4.381 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)c1cc(F)cc(Br)c1 ZINC000411563296 1045018195 /nfs/dbraw/zinc/01/81/95/1045018195.db2.gz QRHZUNSOMDTJOW-HZMBPMFUSA-N 1 0 313.214 4.321 20 30 DIEDRO C[C@@H](CCC#N)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000411692595 1045022537 /nfs/dbraw/zinc/02/25/37/1045022537.db2.gz KWGOPRBPKBUSAC-WFASDCNBSA-N 1 0 314.326 4.268 20 30 DIEDRO COc1cc([C@H](C)[NH2+]Cc2cccc(C#N)c2)ccc1SC ZINC000151388041 1045023329 /nfs/dbraw/zinc/02/33/29/1045023329.db2.gz BZJVVWXDTMIGLA-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(N2CCCCC2)cc1 ZINC000151392566 1045023440 /nfs/dbraw/zinc/02/34/40/1045023440.db2.gz HXAVBZQSOCIXQR-KRWDZBQOSA-N 1 0 319.452 4.399 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000151392034 1045023510 /nfs/dbraw/zinc/02/35/10/1045023510.db2.gz HOBDVHOGKJQCMH-QGZVFWFLSA-N 1 0 316.351 4.401 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCSC3(CCC3)CC2)c(Cl)c1 ZINC000411876709 1045033733 /nfs/dbraw/zinc/03/37/33/1045033733.db2.gz QICOYDVCMNRDEZ-UHFFFAOYSA-N 1 0 306.862 4.073 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@H](C)c1ccc(F)cc1 ZINC000446764673 1045033827 /nfs/dbraw/zinc/03/38/27/1045033827.db2.gz KCJAAJTWWNGWIP-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO CC(C)(CCC#N)CN1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000374258914 1045040624 /nfs/dbraw/zinc/04/06/24/1045040624.db2.gz NLQOJYYOJGLDPU-LBPRGKRZSA-N 1 0 312.866 4.105 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](OCC)c2ccccc2)c1 ZINC000446833432 1045049893 /nfs/dbraw/zinc/04/98/93/1045049893.db2.gz CSWNRJOVCQCMAO-HXUWFJFHSA-N 1 0 311.425 4.119 20 30 DIEDRO C=CCCOCC[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000576308518 1045051142 /nfs/dbraw/zinc/05/11/42/1045051142.db2.gz VKMIUKNIAWXMSR-KAMYIIQDSA-N 1 0 313.363 4.291 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000153410010 1045054590 /nfs/dbraw/zinc/05/45/90/1045054590.db2.gz ZSAKDTZHCCXOLI-CQSZACIVSA-N 1 0 324.399 4.337 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1cccc(C#N)c1 ZINC000153706438 1045058551 /nfs/dbraw/zinc/05/85/51/1045058551.db2.gz AVZVDEXAWSPYGF-PXAZEXFGSA-N 1 0 312.800 4.386 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Oc2cccc(F)c2)C1 ZINC000576693885 1045074475 /nfs/dbraw/zinc/07/44/75/1045074475.db2.gz LSIPAKIZTCCJRX-PBHICJAKSA-N 1 0 310.372 4.400 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000576904585 1045087519 /nfs/dbraw/zinc/08/75/19/1045087519.db2.gz XAJYWKISFCSQMS-OKILXGFUSA-N 1 0 314.326 4.250 20 30 DIEDRO CCCCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000441190613 1045095372 /nfs/dbraw/zinc/09/53/72/1045095372.db2.gz ABDDMQBNWKAQKE-UHFFFAOYSA-N 1 0 312.417 4.009 20 30 DIEDRO C=CC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000525636954 1045104596 /nfs/dbraw/zinc/10/45/96/1045104596.db2.gz TWNBRDRKSHPEPU-UHFFFAOYSA-N 1 0 300.229 4.270 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000577167708 1045105164 /nfs/dbraw/zinc/10/51/64/1045105164.db2.gz UVVMORCCQHVANZ-UHFFFAOYSA-N 1 0 323.502 4.047 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC001258039116 1045114642 /nfs/dbraw/zinc/11/46/42/1045114642.db2.gz KSXVPEWDPMBJIX-KRWDZBQOSA-N 1 0 310.526 4.362 20 30 DIEDRO Cc1cccc2c(CC[NH2+][C@@H]3CCc4ccc(C#N)cc43)c[nH]c21 ZINC000577308876 1045114866 /nfs/dbraw/zinc/11/48/66/1045114866.db2.gz LTVVIGUFHPOIPG-HXUWFJFHSA-N 1 0 315.420 4.168 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1 ZINC000577319839 1045116401 /nfs/dbraw/zinc/11/64/01/1045116401.db2.gz YDKBBWKPBXYRHA-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC(=O)Nc1ccc(C)cn1)c1ccccc1 ZINC000447310429 1045116936 /nfs/dbraw/zinc/11/69/36/1045116936.db2.gz XQLAKRCLHVLPGR-SFHVURJKSA-N 1 0 323.440 4.016 20 30 DIEDRO N#CCCCCNc1nccc2cc(Br)ccc21 ZINC000413121139 1045123325 /nfs/dbraw/zinc/12/33/25/1045123325.db2.gz FOGCTDIZMQVKAV-UHFFFAOYSA-N 1 0 304.191 4.103 20 30 DIEDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc3[nH]cc(C#N)c3c2)cc1 ZINC000600779217 1045136899 /nfs/dbraw/zinc/13/68/99/1045136899.db2.gz QFTAOBKZKMCOMD-CQSZACIVSA-N 1 0 316.408 4.086 20 30 DIEDRO C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cnc3[nH]cc(C#N)c3c2)c1 ZINC000600779718 1045137068 /nfs/dbraw/zinc/13/70/68/1045137068.db2.gz YWNMCERWGQDFBC-AWEZNQCLSA-N 1 0 316.408 4.086 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)C1 ZINC000447535276 1045141706 /nfs/dbraw/zinc/14/17/06/1045141706.db2.gz DYXSQISJHVVOGP-ZBFHGGJFSA-N 1 0 306.837 4.171 20 30 DIEDRO CC[C@H]([NH2+]CCCc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447545710 1045143249 /nfs/dbraw/zinc/14/32/49/1045143249.db2.gz YSLQHPKRDLIBOJ-FQEVSTJZSA-N 1 0 308.425 4.240 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1ccc(C#N)cc1 ZINC000447574645 1045146832 /nfs/dbraw/zinc/14/68/32/1045146832.db2.gz OAAQQLXWLNXCRV-KYNGSXCRSA-N 1 0 306.409 4.164 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447562559 1045149543 /nfs/dbraw/zinc/14/95/43/1045149543.db2.gz MGVFCMGJTBYLEK-FPOVZHCZSA-N 1 0 319.452 4.268 20 30 DIEDRO CCOc1ccccc1CC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000447582972 1045151411 /nfs/dbraw/zinc/15/14/11/1045151411.db2.gz AKHBLRGCQGLLKL-IBGZPJMESA-N 1 0 308.425 4.240 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000447591343 1045155157 /nfs/dbraw/zinc/15/51/57/1045155157.db2.gz HQRXVWHZMOUMNU-IAGOWNOFSA-N 1 0 318.411 4.302 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001258044265 1045156360 /nfs/dbraw/zinc/15/63/60/1045156360.db2.gz KUNSMSAMGGNMNE-ILXRZTDVSA-N 1 0 309.416 4.371 20 30 DIEDRO CC[C@@H](Nc1cc(C[NH+](C)C)ccc1C)c1ccc(C#N)cc1 ZINC000447598632 1045156699 /nfs/dbraw/zinc/15/66/99/1045156699.db2.gz IIRNBBGJCBKPDH-LJQANCHMSA-N 1 0 307.441 4.492 20 30 DIEDRO CC[C@H]([NH2+]CCCNc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447600609 1045160023 /nfs/dbraw/zinc/16/00/23/1045160023.db2.gz NDOVXHVKQVFFTE-IBGZPJMESA-N 1 0 311.404 4.240 20 30 DIEDRO COc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)ccc1C ZINC000447726241 1045168181 /nfs/dbraw/zinc/16/81/81/1045168181.db2.gz DZSIQEKLXAASTD-UHFFFAOYSA-N 1 0 318.420 4.165 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)CC2CCC2)cc1OCCCC#N ZINC000601154539 1045193463 /nfs/dbraw/zinc/19/34/63/1045193463.db2.gz NKWPLXOKFVRLFQ-HNNXBMFYSA-N 1 0 316.445 4.046 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[C@@H](c3ccccc3)O1)CC2 ZINC000577958504 1045194458 /nfs/dbraw/zinc/19/44/58/1045194458.db2.gz OAZOLVBWZZCPLL-GIVPXCGWSA-N 1 0 318.420 4.055 20 30 DIEDRO N#Cc1csc(CN2CCC[C@H]2CCC2CCCCC2)n1 ZINC000578056920 1045201791 /nfs/dbraw/zinc/20/17/91/1045201791.db2.gz CEBDLYAJSLUWFW-INIZCTEOSA-N 1 0 303.475 4.340 20 30 DIEDRO N#Cc1csc(CN2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000578056921 1045201826 /nfs/dbraw/zinc/20/18/26/1045201826.db2.gz CEBDLYAJSLUWFW-MRXNPFEDSA-N 1 0 303.475 4.340 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cccc(C#N)c1[O-] ZINC000924813797 1045202152 /nfs/dbraw/zinc/20/21/52/1045202152.db2.gz NLZMUICCVDVMTA-CYBMUJFWSA-N 1 0 306.818 4.220 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000924880281 1045207065 /nfs/dbraw/zinc/20/70/65/1045207065.db2.gz ACVYOBLSRZNIFP-HNNXBMFYSA-N 1 0 309.413 4.292 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1OC ZINC000601265371 1045207455 /nfs/dbraw/zinc/20/74/55/1045207455.db2.gz PALLRUDERAXKOL-KBXCAEBGSA-N 1 0 324.424 4.377 20 30 DIEDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000601272775 1045209693 /nfs/dbraw/zinc/20/96/93/1045209693.db2.gz KTBXAXMLGAIAIL-WOJBJXKFSA-N 1 0 306.409 4.317 20 30 DIEDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000601282031 1045209997 /nfs/dbraw/zinc/20/99/97/1045209997.db2.gz YQEADVMWFMRMFW-SFTDATJTSA-N 1 0 318.420 4.221 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2ncccc21)c1ccccc1 ZINC000601279513 1045210424 /nfs/dbraw/zinc/21/04/24/1045210424.db2.gz YVHGYTYXEXYFIV-UYAOXDASSA-N 1 0 305.425 4.484 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601292432 1045212551 /nfs/dbraw/zinc/21/25/51/1045212551.db2.gz WZFPPGXFOKVGOS-SBHAEUEKSA-N 1 0 319.452 4.427 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000578170141 1045217147 /nfs/dbraw/zinc/21/71/47/1045217147.db2.gz RNRGUVGDQSSQCV-JNCYCUAHSA-N 1 0 302.421 4.430 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(C(C)(C)O)cc1)c1ccncc1 ZINC000925073087 1045223040 /nfs/dbraw/zinc/22/30/40/1045223040.db2.gz AAEXLBYCCQDMRI-BEFAXECRSA-N 1 0 310.441 4.277 20 30 DIEDRO N#CCC[C@H](C#N)CN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000578316349 1045230376 /nfs/dbraw/zinc/23/03/76/1045230376.db2.gz XNNNUZRZPMUAKD-XLIONFOSSA-N 1 0 321.399 4.143 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(C(C)(C)O)cc1 ZINC000925185590 1045233415 /nfs/dbraw/zinc/23/34/15/1045233415.db2.gz NEXCGQWEWTVUSV-CABCVRRESA-N 1 0 308.425 4.197 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1cccc(C#N)c1 ZINC000925190478 1045234190 /nfs/dbraw/zinc/23/41/90/1045234190.db2.gz JOQUJQXCWFPOPL-SJCJKPOMSA-N 1 0 311.816 4.335 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1cccc(C#N)c1 ZINC000925190475 1045234209 /nfs/dbraw/zinc/23/42/09/1045234209.db2.gz JOQUJQXCWFPOPL-PXAZEXFGSA-N 1 0 311.816 4.335 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1Cl ZINC000448369939 1045239454 /nfs/dbraw/zinc/23/94/54/1045239454.db2.gz DBQBPPNUOWJEQB-HOCLYGCPSA-N 1 0 323.864 4.030 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000578673674 1045263570 /nfs/dbraw/zinc/26/35/70/1045263570.db2.gz HOZYRXRNQUCBOD-JNAXZKDPSA-N 1 0 324.399 4.268 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCc1cn(-c2ccccc2)nc1C)C1CC1 ZINC000578733719 1045269255 /nfs/dbraw/zinc/26/92/55/1045269255.db2.gz ZENMMRVZTYZAEQ-NRFANRHFSA-N 1 0 323.484 4.448 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC/C=C/c2ccc(Br)cc2)C1 ZINC000527931479 1045286161 /nfs/dbraw/zinc/28/61/61/1045286161.db2.gz KXBTUDGSFMYDNN-RJVMEPDQSA-N 1 0 319.246 4.134 20 30 DIEDRO COc1cc(C[NH2+][C@@H](CC(C)C)c2ccccc2)ccc1C#N ZINC000579413388 1045313968 /nfs/dbraw/zinc/31/39/68/1045313968.db2.gz MUVYAEGOGHYWLY-IBGZPJMESA-N 1 0 308.425 4.444 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000779148820 1045318964 /nfs/dbraw/zinc/31/89/64/1045318964.db2.gz BLUKCKJLTWNQDS-LJQANCHMSA-N 1 0 302.462 4.040 20 30 DIEDRO CC(C)c1ccccc1OCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000579532739 1045321016 /nfs/dbraw/zinc/32/10/16/1045321016.db2.gz OXTDLYFDULKJPN-FQEVSTJZSA-N 1 0 320.436 4.338 20 30 DIEDRO C[C@@H](CN(CCC#N)Cc1ccco1)c1cc(F)cc(F)c1 ZINC000449004336 1045333194 /nfs/dbraw/zinc/33/31/94/1045333194.db2.gz XJGOYESVMQDUMG-ZDUSSCGKSA-N 1 0 304.340 4.077 20 30 DIEDRO N#Cc1ccc(CN(Cc2ccnn2C2CCCC2)C2CC2)cc1 ZINC000449011917 1045333679 /nfs/dbraw/zinc/33/36/79/1045333679.db2.gz WKHBQZJUIMPPRE-UHFFFAOYSA-N 1 0 320.440 4.034 20 30 DIEDRO C[C@@H](OCCC[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449067273 1045337441 /nfs/dbraw/zinc/33/74/41/1045337441.db2.gz JZBUVZBXIXSUBN-IPJUCJBFSA-N 1 0 300.446 4.216 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCCSc2ccc(F)cc2)CC1 ZINC000449061242 1045337522 /nfs/dbraw/zinc/33/75/22/1045337522.db2.gz FPUJPQYQUOJZHA-UHFFFAOYSA-N 1 0 306.450 4.370 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000449056455 1045342113 /nfs/dbraw/zinc/34/21/13/1045342113.db2.gz PNZMLORXZPVZCD-YJBOKZPZSA-N 1 0 315.436 4.373 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000449085510 1045342499 /nfs/dbraw/zinc/34/24/99/1045342499.db2.gz NXJIIFRVTYBFAM-QGZVFWFLSA-N 1 0 314.473 4.034 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000189159641 1045342949 /nfs/dbraw/zinc/34/29/49/1045342949.db2.gz MONWSOJYNGTMMF-UXHICEINSA-N 1 0 320.436 4.090 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2nccs2)c2ccccc2)CC1 ZINC000449108420 1045347693 /nfs/dbraw/zinc/34/76/93/1045347693.db2.gz QNHJIELXKCAQIT-UPTPFMHGSA-N 1 0 311.454 4.295 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2sccc2Br)CC1 ZINC000449137434 1045351349 /nfs/dbraw/zinc/35/13/49/1045351349.db2.gz YFOWTIVSGKDMRE-UHFFFAOYSA-N 1 0 313.264 4.073 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000449214080 1045362563 /nfs/dbraw/zinc/36/25/63/1045362563.db2.gz LPBUUBKODKABQE-CRAIPNDOSA-N 1 0 300.446 4.209 20 30 DIEDRO CCCOc1cccc(CC[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449201692 1045363674 /nfs/dbraw/zinc/36/36/74/1045363674.db2.gz DLQOEZLWAQKOKC-UHFFFAOYSA-N 1 0 300.446 4.080 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000449216794 1045363735 /nfs/dbraw/zinc/36/37/35/1045363735.db2.gz VFTMSXFIOGPFGR-OXHPOLQJSA-N 1 0 312.457 4.216 20 30 DIEDRO CC(C)C1(C)CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000779194160 1045367887 /nfs/dbraw/zinc/36/78/87/1045367887.db2.gz WJZGEXDFQDTZHI-INIZCTEOSA-N 1 0 300.446 4.236 20 30 DIEDRO C[C@@H](CC(C)(C)C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000449268333 1045369481 /nfs/dbraw/zinc/36/94/81/1045369481.db2.gz FXDGTCPOGKBXLB-OOHWJJMZSA-N 1 0 315.461 4.058 20 30 DIEDRO COC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000449289223 1045374027 /nfs/dbraw/zinc/37/40/27/1045374027.db2.gz RGVSRSUFXPUMHN-CGZBRXJRSA-N 1 0 306.837 4.090 20 30 DIEDRO Cc1cccc(OCCC[NH2+]C2CCC(C)(C#N)CC2)c1C ZINC000449289499 1045374606 /nfs/dbraw/zinc/37/46/06/1045374606.db2.gz TUBGBZVQKQHWKS-UHFFFAOYSA-N 1 0 300.446 4.134 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cc2cccnc2o1)c1ccccc1 ZINC000449340608 1045378259 /nfs/dbraw/zinc/37/82/59/1045378259.db2.gz PILODJIHVKYKNX-GOSISDBHSA-N 1 0 305.381 4.353 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000449336465 1045381201 /nfs/dbraw/zinc/38/12/01/1045381201.db2.gz NOLANQVTAWSJOV-KLAILNCOSA-N 1 0 324.390 4.470 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000449444920 1045393486 /nfs/dbraw/zinc/39/34/86/1045393486.db2.gz FFJAMJGPJDWGQO-STQMWFEESA-N 1 0 316.351 4.397 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528737816 1045406577 /nfs/dbraw/zinc/40/65/77/1045406577.db2.gz XNKITKSJMCHURZ-FQEVSTJZSA-N 1 0 312.457 4.176 20 30 DIEDRO N#Cc1csc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)c1 ZINC000449680658 1045426431 /nfs/dbraw/zinc/42/64/31/1045426431.db2.gz URPRCRYIVKDOCW-UHFFFAOYSA-N 1 0 302.830 4.138 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000449692021 1045429092 /nfs/dbraw/zinc/42/90/92/1045429092.db2.gz ZQGDCQBFBMUCSS-WBVHZDCISA-N 1 0 311.454 4.078 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000449736642 1045432628 /nfs/dbraw/zinc/43/26/28/1045432628.db2.gz NNBWEQMEGSXCBH-AEFFLSMTSA-N 1 0 323.415 4.217 20 30 DIEDRO Cn1cc(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)cc1C#N ZINC000441387909 1045452984 /nfs/dbraw/zinc/45/29/84/1045452984.db2.gz WRTYAVZXUSRRPR-LJQANCHMSA-N 1 0 307.441 4.090 20 30 DIEDRO CC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1 ZINC000347352346 1045482974 /nfs/dbraw/zinc/48/29/74/1045482974.db2.gz CLPSUNSSPWMRBO-KRWDZBQOSA-N 1 0 318.342 4.193 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cc(C)ccc1C ZINC000529677079 1045511876 /nfs/dbraw/zinc/51/18/76/1045511876.db2.gz ZFAMEZRDWVMMLU-LJQANCHMSA-N 1 0 318.424 4.064 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCCc2cnn(C(C)C)c21 ZINC001119613797 1045518651 /nfs/dbraw/zinc/51/86/51/1045518651.db2.gz MUETYNFSZKSXHC-LJQANCHMSA-N 1 0 322.456 4.120 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000450643081 1045532593 /nfs/dbraw/zinc/53/25/93/1045532593.db2.gz DGGDNZLHKZSGOV-HNNXBMFYSA-N 1 0 302.368 4.083 20 30 DIEDRO CCC(CC)[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC#CCOC ZINC001460047433 1045552673 /nfs/dbraw/zinc/55/26/73/1045552673.db2.gz ROQBSCGIBQRKNP-SFHVURJKSA-N 1 0 307.865 4.399 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)c1ccc(OCC#N)cc1 ZINC000381917184 1045584628 /nfs/dbraw/zinc/58/46/28/1045584628.db2.gz NUZRZEIBBMSYBA-BLGGUBQRSA-N 1 0 312.457 4.454 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CC2CCC1CC2)c1ccc(OCC#N)cc1 ZINC000381917193 1045585626 /nfs/dbraw/zinc/58/56/26/1045585626.db2.gz NUZRZEIBBMSYBA-JPEVDVSGSA-N 1 0 312.457 4.454 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC001460288997 1045590365 /nfs/dbraw/zinc/59/03/65/1045590365.db2.gz HLCZXNZNZGZZNZ-KGLIPLIRSA-N 1 0 306.247 4.245 20 30 DIEDRO C=C(C)C[N@H+](CC/C=C/c1ccccc1)Cc1ccc(CO)o1 ZINC000450983587 1045605478 /nfs/dbraw/zinc/60/54/78/1045605478.db2.gz RKXGUOFGUBHBLJ-UXBLZVDNSA-N 1 0 311.425 4.254 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000190841577 1045616163 /nfs/dbraw/zinc/61/61/63/1045616163.db2.gz MOGPZMPXBLWASB-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451143193 1045629446 /nfs/dbraw/zinc/62/94/46/1045629446.db2.gz HMMWKYJMFNZCNO-MISXGVKJSA-N 1 0 314.326 4.249 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)cc1 ZINC000800495227 1045631617 /nfs/dbraw/zinc/63/16/17/1045631617.db2.gz LSIBFJJSYDCTBH-RTBURBONSA-N 1 0 310.828 4.420 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccc(-c4ccccc4)cc3C2)C1 ZINC000451159388 1045634977 /nfs/dbraw/zinc/63/49/77/1045634977.db2.gz QDIXPPHVEBKRHX-IIBYNOLFSA-N 1 0 302.421 4.404 20 30 DIEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ccc(-c4ccccc4)cc3C2)C1 ZINC000451159386 1045636123 /nfs/dbraw/zinc/63/61/23/1045636123.db2.gz QDIXPPHVEBKRHX-HRAATJIYSA-N 1 0 302.421 4.404 20 30 DIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000475669591 1045658855 /nfs/dbraw/zinc/65/88/55/1045658855.db2.gz ICFVUVZPWSYVBV-UHFFFAOYSA-N 1 0 308.425 4.372 20 30 DIEDRO COc1ccc2c(NCc3ccc(C#N)c(Cl)c3)cc[nH+]c2c1 ZINC000800884687 1045662732 /nfs/dbraw/zinc/66/27/32/1045662732.db2.gz VZXCTPUOXMSNJS-UHFFFAOYSA-N 1 0 323.783 4.381 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cncc3ccccc32)cc1Cl ZINC000800895520 1045664674 /nfs/dbraw/zinc/66/46/74/1045664674.db2.gz GRVPQNIAJWRLAZ-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000800896120 1045665006 /nfs/dbraw/zinc/66/50/06/1045665006.db2.gz ZDKFATXNJBBRHZ-STQMWFEESA-N 1 0 316.754 4.422 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000530464289 1045669533 /nfs/dbraw/zinc/66/95/33/1045669533.db2.gz QWDASGZWUACRBQ-XLIONFOSSA-N 1 0 308.400 4.198 20 30 DIEDRO C#CCCCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000779411849 1045677798 /nfs/dbraw/zinc/67/77/98/1045677798.db2.gz HZTJYZRAVOOIRQ-HXUWFJFHSA-N 1 0 304.393 4.310 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(Cl)ccc1O ZINC000800990536 1045678415 /nfs/dbraw/zinc/67/84/15/1045678415.db2.gz QMYHPFWQPNMYBR-JTQLQIEISA-N 1 0 321.207 4.421 20 30 DIEDRO COCC[C@@H]([NH2+]CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000451697509 1045712102 /nfs/dbraw/zinc/71/21/02/1045712102.db2.gz WKDKVBLXBFYHLD-OAHLLOKOSA-N 1 0 314.351 4.066 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451853537 1045734481 /nfs/dbraw/zinc/73/44/81/1045734481.db2.gz LRSVTMCBQWSQMC-IBGZPJMESA-N 1 0 322.408 4.147 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc3cccnc32)c1 ZINC001648973945 1045738046 /nfs/dbraw/zinc/73/80/46/1045738046.db2.gz RVIJQVDPXIOKFW-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C[C@H]([NH2+]C1(Cc2ccccc2)CCOCC1)c1cccc(C#N)c1 ZINC000451945826 1045751487 /nfs/dbraw/zinc/75/14/87/1045751487.db2.gz WRQUOTUZTOVQDY-KRWDZBQOSA-N 1 0 320.436 4.001 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccc(CC#N)cc3)C2)c1 ZINC000452009841 1045757490 /nfs/dbraw/zinc/75/74/90/1045757490.db2.gz ASDYQEUKHSYCSO-MXVIHJGJSA-N 1 0 320.436 4.139 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000191862788 1045759639 /nfs/dbraw/zinc/75/96/39/1045759639.db2.gz MCXLWDWIGQGQJE-LJQANCHMSA-N 1 0 310.372 4.043 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CCC(F)(F)F)c1 ZINC000753565790 1045764005 /nfs/dbraw/zinc/76/40/05/1045764005.db2.gz KKYFMJISCDXFMQ-JSGCOSHPSA-N 1 0 314.351 4.188 20 30 DIEDRO Cc1cccc([C@H]2CC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000753591420 1045770392 /nfs/dbraw/zinc/77/03/92/1045770392.db2.gz PZLBZMUMLIJKOC-PXNSSMCTSA-N 1 0 320.436 4.275 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(N2CCCC2)c1 ZINC000192162465 1045787425 /nfs/dbraw/zinc/78/74/25/1045787425.db2.gz HDRSLYCZYYZGQK-HNNXBMFYSA-N 1 0 323.415 4.148 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1C ZINC000753682989 1045789942 /nfs/dbraw/zinc/78/99/42/1045789942.db2.gz XWHRPARIECXQCB-CQSZACIVSA-N 1 0 312.388 4.174 20 30 DIEDRO CCCCCCC[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000753702929 1045791689 /nfs/dbraw/zinc/79/16/89/1045791689.db2.gz BUTDRAZGEMIVOQ-SFHVURJKSA-N 1 0 301.409 4.265 20 30 DIEDRO CCC[N@H+](CCO[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000801915446 1045834534 /nfs/dbraw/zinc/83/45/34/1045834534.db2.gz LIKJPWWQZNHNTL-LSDHHAIUSA-N 1 0 300.402 4.134 20 30 DIEDRO C=C(C)CCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC001125051777 1045842686 /nfs/dbraw/zinc/84/26/86/1045842686.db2.gz TUZKNVCEBODAOT-KRWDZBQOSA-N 1 0 314.473 4.034 20 30 DIEDRO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801923623 1045842999 /nfs/dbraw/zinc/84/29/99/1045842999.db2.gz LQTKAKZZRQWQEV-DLBZAZTESA-N 1 0 308.425 4.275 20 30 DIEDRO CC(C)Cc1ccc([C@@H]([NH2+]CCO[C@H](C)C#N)C(C)C)cc1 ZINC000801929699 1045848231 /nfs/dbraw/zinc/84/82/31/1045848231.db2.gz TUAPOYJMBQJGPG-APWZRJJASA-N 1 0 302.462 4.100 20 30 DIEDRO CC(C)CC[C@@H]([NH2+]CCO[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000801937526 1045852792 /nfs/dbraw/zinc/85/27/92/1045852792.db2.gz PGYGOZUVHSPBQU-RHSMWYFYSA-N 1 0 308.853 4.336 20 30 DIEDRO CCC1(c2ccc(Cl)cc2)CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801952431 1045858729 /nfs/dbraw/zinc/85/87/29/1045858729.db2.gz WPKZWCLGJWPYDE-OAHLLOKOSA-N 1 0 320.864 4.012 20 30 DIEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801953932 1045858757 /nfs/dbraw/zinc/85/87/57/1045858757.db2.gz YYZKZQNYSWNPDB-KDOFPFPSSA-N 1 0 320.864 4.432 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000631683969 1045904623 /nfs/dbraw/zinc/90/46/23/1045904623.db2.gz OLGPSHVROKGHFO-QGZVFWFLSA-N 1 0 300.446 4.066 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000754670436 1045907256 /nfs/dbraw/zinc/90/72/56/1045907256.db2.gz BIEFCMPDDTVFPS-LLVKDONJSA-N 1 0 322.380 4.380 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]CCCOc2ccc(C#N)cc2)s1 ZINC000754669790 1045910015 /nfs/dbraw/zinc/91/00/15/1045910015.db2.gz SQFUHHNYELFWBP-AWEZNQCLSA-N 1 0 300.427 4.048 20 30 DIEDRO C#CC[N@H+](Cc1cccc2ncccc12)[C@@H]1CCc2ccccc21 ZINC001137629647 1045911274 /nfs/dbraw/zinc/91/12/74/1045911274.db2.gz YYRGTLFYEGXSCI-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001137636884 1045912530 /nfs/dbraw/zinc/91/25/30/1045912530.db2.gz QSNOKANUPYVWPM-LBPRGKRZSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1O ZINC000754725954 1045920095 /nfs/dbraw/zinc/92/00/95/1045920095.db2.gz ISNJVJWUUWEDDY-LJQANCHMSA-N 1 0 309.409 4.076 20 30 DIEDRO C=CCc1cc(C[N@H+](C2CC2)C2CCCC2)c(O)c(OC)c1 ZINC000754726713 1045921244 /nfs/dbraw/zinc/92/12/44/1045921244.db2.gz SBQHWCWPGBQZBR-UHFFFAOYSA-N 1 0 301.430 4.036 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC12CCC2 ZINC000779604432 1045926105 /nfs/dbraw/zinc/92/61/05/1045926105.db2.gz LKOPFGYHJHQLBC-QGZVFWFLSA-N 1 0 311.473 4.049 20 30 DIEDRO C[C@H](c1ccco1)[N@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC000754875932 1045935769 /nfs/dbraw/zinc/93/57/69/1045935769.db2.gz QMMYVIILDOQGFW-OAHLLOKOSA-N 1 0 310.397 4.146 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000192907075 1045952807 /nfs/dbraw/zinc/95/28/07/1045952807.db2.gz YJZIDJAFWQLACO-UHFFFAOYSA-N 1 0 319.861 4.041 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc2nc(C)sc2c1)c1ccncc1 ZINC000755195682 1045962527 /nfs/dbraw/zinc/96/25/27/1045962527.db2.gz OQFRVELYRRAPCH-MRXNPFEDSA-N 1 0 309.438 4.407 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C3CCC(OC4CCCC4)CC3)CC2)c1 ZINC000453166142 1045962775 /nfs/dbraw/zinc/96/27/75/1045962775.db2.gz AELXUTGLSJVAOH-UHFFFAOYSA-N 1 0 324.468 4.407 20 30 DIEDRO CCCCCCCCCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000755250979 1045966700 /nfs/dbraw/zinc/96/67/00/1045966700.db2.gz PUFQYTCTEYZCJX-QZTJIDSGSA-N 1 0 323.525 4.053 20 30 DIEDRO N#CCOc1ccc(C[NH2+]C2(Cc3ccccc3)CCCC2)cc1 ZINC000755243558 1045966782 /nfs/dbraw/zinc/96/67/82/1045966782.db2.gz NVAUHMJZFCKVIN-UHFFFAOYSA-N 1 0 320.436 4.234 20 30 DIEDRO N#CCOc1ccc(C[NH2+]C2(c3ccccc3Cl)CC2)cc1 ZINC000829475205 1045978419 /nfs/dbraw/zinc/97/84/19/1045978419.db2.gz IIJLTPNYEMTXMS-UHFFFAOYSA-N 1 0 312.800 4.021 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCCOc2ccc3ccccc3c2)c1 ZINC000531883710 1046000437 /nfs/dbraw/zinc/00/04/37/1046000437.db2.gz VJYVAXHOZQAVDF-UHFFFAOYSA-N 1 0 316.404 4.270 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000829779437 1046007296 /nfs/dbraw/zinc/00/72/96/1046007296.db2.gz USGMOYBCERKTMR-UONOGXRCSA-N 1 0 317.383 4.228 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788941 1046007990 /nfs/dbraw/zinc/00/79/90/1046007990.db2.gz KESPAKZQKKRCNH-IAGOWNOFSA-N 1 0 323.440 4.150 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000453291668 1046018606 /nfs/dbraw/zinc/01/86/06/1046018606.db2.gz MUXUJSZYYZNNSX-NOLJZWGESA-N 1 0 304.821 4.226 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000193493786 1046020479 /nfs/dbraw/zinc/02/04/79/1046020479.db2.gz JNEZBGSIPRJXBL-HNNXBMFYSA-N 1 0 302.418 4.040 20 30 DIEDRO Cc1cccc(C2([NH2+]Cc3ccc(OCC#N)cc3)CCC2)c1 ZINC000829870408 1046023983 /nfs/dbraw/zinc/02/39/83/1046023983.db2.gz MVIFKBHKWOSCJK-UHFFFAOYSA-N 1 0 306.409 4.066 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH+]2CCC(Cc3c(F)cccc3F)CC2)C1 ZINC000453346662 1046049285 /nfs/dbraw/zinc/04/92/85/1046049285.db2.gz FWIJWKHRDLHLHV-HZPDHXFCSA-N 1 0 318.411 4.302 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F)cc1 ZINC000756081828 1046049773 /nfs/dbraw/zinc/04/97/73/1046049773.db2.gz YICPDOVEHTXTSS-ZIAGYGMSSA-N 1 0 313.363 4.470 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C(C)C)cc1 ZINC000902729667 1046051230 /nfs/dbraw/zinc/05/12/30/1046051230.db2.gz KWHVFKHFMDYCDY-IFXJQAMLSA-N 1 0 309.413 4.010 20 30 DIEDRO C[C@@H]([NH2+]CCSc1ccc(Cl)cc1)c1cc(C#N)ccn1 ZINC000902728632 1046051702 /nfs/dbraw/zinc/05/17/02/1046051702.db2.gz YEZLKDIKZBSBGU-GFCCVEGCSA-N 1 0 317.845 4.050 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902732516 1046054119 /nfs/dbraw/zinc/05/41/19/1046054119.db2.gz FTVVLBFSRJTUDK-VNCLNFNDSA-N 1 0 305.425 4.330 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000453355453 1046054602 /nfs/dbraw/zinc/05/46/02/1046054602.db2.gz LNRJXUUSGCOBLQ-DFBGVHRSSA-N 1 0 313.413 4.038 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000902735635 1046054759 /nfs/dbraw/zinc/05/47/59/1046054759.db2.gz GZOLQGWGVNTLEH-DYVFJYSZSA-N 1 0 308.381 4.089 20 30 DIEDRO CC1(C#N)CCC([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000453360316 1046057825 /nfs/dbraw/zinc/05/78/25/1046057825.db2.gz KHKQNIOHULUZDT-UHFFFAOYSA-N 1 0 302.849 4.477 20 30 DIEDRO CCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2cccc(C#N)c2)c1 ZINC000902752501 1046058657 /nfs/dbraw/zinc/05/86/57/1046058657.db2.gz KCBXMQJCTWPHDE-LJQANCHMSA-N 1 0 321.424 4.148 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](CC)c2cccc(C#N)c2)cc1OC ZINC000902745235 1046059344 /nfs/dbraw/zinc/05/93/44/1046059344.db2.gz MJOZTJAHDSKHLZ-GOSISDBHSA-N 1 0 324.424 4.206 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1ccco1 ZINC000453362525 1046065992 /nfs/dbraw/zinc/06/59/92/1046065992.db2.gz QSFIZQRGNBEMSO-LNLFQRSKSA-N 1 0 312.413 4.192 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(C#N)c1 ZINC000902779020 1046066041 /nfs/dbraw/zinc/06/60/41/1046066041.db2.gz KBXYCJZLOSGGRK-SFHVURJKSA-N 1 0 311.404 4.004 20 30 DIEDRO CC(C)(O)c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000830404515 1046067008 /nfs/dbraw/zinc/06/70/08/1046067008.db2.gz GNKYINABNXFOMW-HXUWFJFHSA-N 1 0 322.452 4.439 20 30 DIEDRO C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)c1cc(C#N)ccn1 ZINC000902769166 1046067499 /nfs/dbraw/zinc/06/74/99/1046067499.db2.gz UVTUMMAMHGAMPK-NSHDSACASA-N 1 0 320.223 4.153 20 30 DIEDRO CCSc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902788628 1046069395 /nfs/dbraw/zinc/06/93/95/1046069395.db2.gz AMWHSBIIBZTJHI-KBPBESRZSA-N 1 0 311.454 4.477 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cn1)c1ccncc1 ZINC000902805532 1046075004 /nfs/dbraw/zinc/07/50/04/1046075004.db2.gz AXDCKZNSOJZYNZ-MLGOLLRUSA-N 1 0 321.346 4.463 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1cccc(C#N)c1 ZINC000902819312 1046077016 /nfs/dbraw/zinc/07/70/16/1046077016.db2.gz GHUUJRGTDPXADM-OALUTQOASA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)c1cccc(C#N)c1 ZINC000902826651 1046079735 /nfs/dbraw/zinc/07/97/35/1046079735.db2.gz HICDZCYQBVAPHB-NEPJUHHUSA-N 1 0 319.330 4.384 20 30 DIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902829471 1046079903 /nfs/dbraw/zinc/07/99/03/1046079903.db2.gz ABDABRUAJOPALX-DNVCBOLYSA-N 1 0 323.440 4.400 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cn1)c1cccc(C#N)c1 ZINC000902826954 1046081500 /nfs/dbraw/zinc/08/15/00/1046081500.db2.gz HICDZCYQBVAPHB-VXGBXAGGSA-N 1 0 319.330 4.384 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccc(C#N)cc1 ZINC000756454599 1046084795 /nfs/dbraw/zinc/08/47/95/1046084795.db2.gz CWVZIFADAPQAJH-VXGBXAGGSA-N 1 0 300.789 4.329 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(=Cc3ccccc3F)CC2)c1 ZINC000532058931 1046091474 /nfs/dbraw/zinc/09/14/74/1046091474.db2.gz JCEXQLNZRLJBJL-UHFFFAOYSA-N 1 0 306.384 4.377 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756525946 1046093428 /nfs/dbraw/zinc/09/34/28/1046093428.db2.gz DRGPPYFCRZKKOF-AWEZNQCLSA-N 1 0 324.415 4.201 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1cccc(C#N)c1 ZINC000902880585 1046099807 /nfs/dbraw/zinc/09/98/07/1046099807.db2.gz JVJHPBQDPVFNQO-RTBURBONSA-N 1 0 312.457 4.481 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756568084 1046099980 /nfs/dbraw/zinc/09/99/80/1046099980.db2.gz AGEQMDPJRRHQBS-MRXNPFEDSA-N 1 0 311.425 4.425 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1cccc(C#N)c1 ZINC000902890587 1046102196 /nfs/dbraw/zinc/10/21/96/1046102196.db2.gz ANSXCQUMRDUGGX-SFHVURJKSA-N 1 0 323.440 4.371 20 30 DIEDRO COc1ccc(C[NH2+]C2(c3ccc(C)cc3)CCC2)cc1C#N ZINC000830820184 1046103411 /nfs/dbraw/zinc/10/34/11/1046103411.db2.gz HRIKZNKDHCTCHY-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCC[C@@H](C4CCOCC4)C3)CC2)c1 ZINC000902919238 1046113331 /nfs/dbraw/zinc/11/33/31/1046113331.db2.gz DKRZWUFIWXKGIY-UYAOXDASSA-N 1 0 324.468 4.122 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCC[C@H](C4CCOCC4)C3)CC2)c1 ZINC000902919236 1046114016 /nfs/dbraw/zinc/11/40/16/1046114016.db2.gz DKRZWUFIWXKGIY-ICSRJNTNSA-N 1 0 324.468 4.122 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000756733933 1046123881 /nfs/dbraw/zinc/12/38/81/1046123881.db2.gz TZHUNDHFTKZXNG-ZIBATOQPSA-N 1 0 302.245 4.360 20 30 DIEDRO Cc1ccc(SC[C@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902956392 1046126558 /nfs/dbraw/zinc/12/65/58/1046126558.db2.gz AGQZXBDOZYKYBC-GJZGRUSLSA-N 1 0 311.454 4.093 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902966313 1046132662 /nfs/dbraw/zinc/13/26/62/1046132662.db2.gz DCDKQLWIQLIGHS-VDZJLULYSA-N 1 0 305.425 4.015 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@]1(C)CCCCO1 ZINC000902980726 1046135262 /nfs/dbraw/zinc/13/52/62/1046135262.db2.gz BLLRLPOEXVJVOH-CSODTCANSA-N 1 0 304.478 4.200 20 30 DIEDRO COCCCC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000902976204 1046135623 /nfs/dbraw/zinc/13/56/23/1046135623.db2.gz OIHSUPRIMKMSGG-VQIMIIECSA-N 1 0 323.440 4.162 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000903001804 1046139285 /nfs/dbraw/zinc/13/92/85/1046139285.db2.gz XOOJHFTUDDJMTJ-SCLBCKFNSA-N 1 0 309.369 4.268 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1)c1cccc(C#N)c1 ZINC000903008517 1046141938 /nfs/dbraw/zinc/14/19/38/1046141938.db2.gz PYKXZDIMJRMXAT-NZSAHSFTSA-N 1 0 300.446 4.050 20 30 DIEDRO C[N@H+]1Cc2ccccc2[C@@H](/N=C\c2c(O)ccc3ccccc32)C1 ZINC000756841211 1046141995 /nfs/dbraw/zinc/14/19/95/1046141995.db2.gz POMSURSEMXGRRG-YOYPMJMESA-N 1 0 316.404 4.151 20 30 DIEDRO CCCCCCCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000831499851 1046143625 /nfs/dbraw/zinc/14/36/25/1046143625.db2.gz RINDXYGMRVFYIB-UHFFFAOYSA-N 1 0 316.489 4.081 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1cccc(C#N)c1 ZINC000903024117 1046144276 /nfs/dbraw/zinc/14/42/76/1046144276.db2.gz VCSPOIJGIOLJFI-IAGOWNOFSA-N 1 0 300.471 4.132 20 30 DIEDRO N#CC1(C[NH2+][C@@H](CCc2cccnc2)c2ccccc2)CCC1 ZINC000903035606 1046145247 /nfs/dbraw/zinc/14/52/47/1046145247.db2.gz RWUVUCXXODNALU-IBGZPJMESA-N 1 0 305.425 4.039 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cn1 ZINC000903035798 1046145267 /nfs/dbraw/zinc/14/52/67/1046145267.db2.gz UWTGPWVSLZAJDL-LBPRGKRZSA-N 1 0 319.330 4.017 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2c1c(F)ccc2O ZINC000756857461 1046145650 /nfs/dbraw/zinc/14/56/50/1046145650.db2.gz OMVBESSRJQMVML-LRDDRELGSA-N 1 0 322.383 4.230 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2c1c(F)ccc2O ZINC000756857466 1046145770 /nfs/dbraw/zinc/14/57/70/1046145770.db2.gz OMVBESSRJQMVML-WBMJQRKESA-N 1 0 322.383 4.230 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CCCCC1 ZINC000903053976 1046148979 /nfs/dbraw/zinc/14/89/79/1046148979.db2.gz SYKTZBOORJPNBF-ROUUACIJSA-N 1 0 304.478 4.035 20 30 DIEDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C)c1cccc(C#N)c1 ZINC000903054651 1046149180 /nfs/dbraw/zinc/14/91/80/1046149180.db2.gz NVEAYZCRRIZIKG-HBMCJLEFSA-N 1 0 322.452 4.357 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000903059869 1046150726 /nfs/dbraw/zinc/15/07/26/1046150726.db2.gz WHYUCGAGISGVBD-MRXNPFEDSA-N 1 0 319.330 4.213 20 30 DIEDRO N#C[C@@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336338 1046153590 /nfs/dbraw/zinc/15/35/90/1046153590.db2.gz PQMOQZMGLMIHJX-OAQYLSRUSA-N 1 0 314.432 4.212 20 30 DIEDRO COc1ccc(C[NH2+]Cc2c(C)cc(Cl)cc2C)cc1C#N ZINC000756990317 1046157086 /nfs/dbraw/zinc/15/70/86/1046157086.db2.gz KTRCESZZFOGEKC-UHFFFAOYSA-N 1 0 314.816 4.127 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccccc1 ZINC000756998151 1046159600 /nfs/dbraw/zinc/15/96/00/1046159600.db2.gz RLVRRVCYLGJYKD-LJQANCHMSA-N 1 0 305.421 4.254 20 30 DIEDRO CCOc1ccc([C@@H](CC)[NH2+]CC(C)(C)C#N)cc1OCC ZINC000903100609 1046163737 /nfs/dbraw/zinc/16/37/37/1046163737.db2.gz UNDSHFQZUQACHY-OAHLLOKOSA-N 1 0 304.434 4.074 20 30 DIEDRO N#CC1(C[NH2+][C@H](CCc2ccccc2)c2cccnc2)CCCC1 ZINC000903110027 1046168161 /nfs/dbraw/zinc/16/81/61/1046168161.db2.gz ZBSVUWAMXPFARQ-HXUWFJFHSA-N 1 0 319.452 4.429 20 30 DIEDRO COc1ccc2c(c1Cl)[C@@H]([NH2+]CC1(CC#N)CC1)CCC2 ZINC000903168567 1046181662 /nfs/dbraw/zinc/18/16/62/1046181662.db2.gz XPUATKDEXCXXLD-ZDUSSCGKSA-N 1 0 304.821 4.009 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1ccccc1F)C1CCOCC1 ZINC000903170561 1046182943 /nfs/dbraw/zinc/18/29/43/1046182943.db2.gz IHKFXMJWBAZLPO-GOSISDBHSA-N 1 0 318.436 4.213 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C)nn1C)c1cccc(Cl)c1 ZINC000903164854 1046182975 /nfs/dbraw/zinc/18/29/75/1046182975.db2.gz IZVXAXWYNJHLAL-QGZVFWFLSA-N 1 0 303.837 4.179 20 30 DIEDRO CCOc1ccc2ccccc2c1C[NH+]1CCC(C)(C#N)CC1 ZINC001138444615 1046184585 /nfs/dbraw/zinc/18/45/85/1046184585.db2.gz YSXBRGWDJJHKMK-UHFFFAOYSA-N 1 0 308.425 4.364 20 30 DIEDRO COc1ccc2c(c1Cl)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000903192918 1046189014 /nfs/dbraw/zinc/18/90/14/1046189014.db2.gz RUDBOMGMIPKLNO-IACUBPJLSA-N 1 0 304.821 4.008 20 30 DIEDRO COc1ccc2c(c1Cl)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000903192919 1046189987 /nfs/dbraw/zinc/18/99/87/1046189987.db2.gz RUDBOMGMIPKLNO-YUTCNCBUSA-N 1 0 304.821 4.008 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccnn1CC)c1cccc(Cl)c1 ZINC000903206000 1046194072 /nfs/dbraw/zinc/19/40/72/1046194072.db2.gz OBTYLEYXRFMVOR-KRWDZBQOSA-N 1 0 303.837 4.354 20 30 DIEDRO CN(C)c1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)s1 ZINC001138492333 1046198846 /nfs/dbraw/zinc/19/88/46/1046198846.db2.gz CSOPBAKGFHLXTM-UHFFFAOYSA-N 1 0 324.493 4.078 20 30 DIEDRO C#CC[N@@H+](Cc1cc(C)ccc1OC)[C@@H]1CCc2ccccc21 ZINC001138488183 1046199132 /nfs/dbraw/zinc/19/91/32/1046199132.db2.gz XORBTGWMQMTKON-HXUWFJFHSA-N 1 0 305.421 4.126 20 30 DIEDRO COc1ccc(C)cc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001138488068 1046199531 /nfs/dbraw/zinc/19/95/31/1046199531.db2.gz SYQWYLZPIPXBON-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1C ZINC000903235255 1046203271 /nfs/dbraw/zinc/20/32/71/1046203271.db2.gz WNFRDYWUBXYRPA-KGLIPLIRSA-N 1 0 312.388 4.426 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC001138518048 1046209976 /nfs/dbraw/zinc/20/99/76/1046209976.db2.gz RVPLKTFLZVRDMA-UHFFFAOYSA-N 1 0 305.421 4.207 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001168158560 1046210799 /nfs/dbraw/zinc/21/07/99/1046210799.db2.gz NHVBFKSJVCVFBZ-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000903286615 1046223531 /nfs/dbraw/zinc/22/35/31/1046223531.db2.gz CSHMEFJPEVGCRX-ACJLOTCBSA-N 1 0 309.369 4.268 20 30 DIEDRO C[C@H](C#N)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000757908218 1046225065 /nfs/dbraw/zinc/22/50/65/1046225065.db2.gz ZSKWTUWFAQIFIN-CYBMUJFWSA-N 1 0 302.462 4.236 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000831938097 1046227522 /nfs/dbraw/zinc/22/75/22/1046227522.db2.gz YEHLUIJWCXNMEH-IAGOWNOFSA-N 1 0 308.510 4.140 20 30 DIEDRO C=CCC[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC001138601517 1046234985 /nfs/dbraw/zinc/23/49/85/1046234985.db2.gz KHTPZOABCVZNJV-UHFFFAOYSA-N 1 0 317.436 4.451 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)[C@H](C)c2ccccc2)cc1 ZINC000245430713 1046236645 /nfs/dbraw/zinc/23/66/45/1046236645.db2.gz MBOOEYSTJXJWMD-IXDOHACOSA-N 1 0 308.425 4.259 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000245506137 1046237290 /nfs/dbraw/zinc/23/72/90/1046237290.db2.gz NIVJBNSSYYOLOG-QRWLVFNGSA-N 1 0 324.399 4.454 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(Cl)c(C)c2)cc1 ZINC000758015684 1046238551 /nfs/dbraw/zinc/23/85/51/1046238551.db2.gz ILSACYPURPZONV-UHFFFAOYSA-N 1 0 313.828 4.340 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000245510512 1046240175 /nfs/dbraw/zinc/24/01/75/1046240175.db2.gz WKICIEGUGCDRRZ-NRFANRHFSA-N 1 0 319.452 4.156 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000245510692 1046240537 /nfs/dbraw/zinc/24/05/37/1046240537.db2.gz WSMGVXBNXMTVSE-QRWLVFNGSA-N 1 0 306.409 4.097 20 30 DIEDRO COc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](C#N)CC3)c2)cc1 ZINC001138616352 1046241315 /nfs/dbraw/zinc/24/13/15/1046241315.db2.gz VOGLBKPTHHSRSC-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO COc1ccc(-c2cccc(CN3CC[C@](C)(C#N)C3)c2)cc1 ZINC001138617985 1046244092 /nfs/dbraw/zinc/24/40/92/1046244092.db2.gz PEQZNTHAMYKZSG-HXUWFJFHSA-N 1 0 306.409 4.098 20 30 DIEDRO CCc1ccc([C@@H](CC(C)C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000795302332 1046249849 /nfs/dbraw/zinc/24/98/49/1046249849.db2.gz NPYAIAJLPJAFET-HXUWFJFHSA-N 1 0 307.441 4.393 20 30 DIEDRO C=CCc1cccc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c1O ZINC001138629695 1046250718 /nfs/dbraw/zinc/25/07/18/1046250718.db2.gz FSUWTQKVPJFUSL-UHFFFAOYSA-N 1 0 315.457 4.044 20 30 DIEDRO C=C(C)COc1ccccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC001138661509 1046259302 /nfs/dbraw/zinc/25/93/02/1046259302.db2.gz AVNFJTRTJIWABP-UHFFFAOYSA-N 1 0 315.457 4.175 20 30 DIEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC001138665665 1046259429 /nfs/dbraw/zinc/25/94/29/1046259429.db2.gz RYUXYCRFJMTEJV-UHFFFAOYSA-N 1 0 315.457 4.034 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cc(F)ccc1OC ZINC000903370667 1046259731 /nfs/dbraw/zinc/25/97/31/1046259731.db2.gz JGEHBPUQFCDZEO-HQVVEAJESA-N 1 0 304.409 4.347 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H]1C(C)(C)OC ZINC001138665729 1046260788 /nfs/dbraw/zinc/26/07/88/1046260788.db2.gz VSNNDYGCBCQQFI-GOSISDBHSA-N 1 0 303.446 4.031 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)cc1 ZINC000245710855 1046262197 /nfs/dbraw/zinc/26/21/97/1046262197.db2.gz FYISTDXTVXHQLG-LLGFUMIMSA-N 1 0 320.436 4.355 20 30 DIEDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245740538 1046264332 /nfs/dbraw/zinc/26/43/32/1046264332.db2.gz LQGBCRZPOXWFAR-CRAIPNDOSA-N 1 0 318.486 4.085 20 30 DIEDRO C#CCCCC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000758496174 1046274009 /nfs/dbraw/zinc/27/40/09/1046274009.db2.gz CAYOIPZTSZSTAC-UHFFFAOYSA-N 1 0 315.848 4.036 20 30 DIEDRO C#CCCCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000758498024 1046274175 /nfs/dbraw/zinc/27/41/75/1046274175.db2.gz UXOHOBKEHYOGKB-UHFFFAOYSA-N 1 0 321.468 4.118 20 30 DIEDRO C=CC[N@@H+](Cc1ccnc(Br)c1)C1CCCCC1 ZINC001138734350 1046282194 /nfs/dbraw/zinc/28/21/94/1046282194.db2.gz APSXIEYCXJFKPQ-UHFFFAOYSA-N 1 0 309.251 4.165 20 30 DIEDRO CCCC[C@H](C)[NH2+]Cc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000089632327 1046294509 /nfs/dbraw/zinc/29/45/09/1046294509.db2.gz QVMWXFCYWFPEHR-GOEBONIOSA-N 1 0 304.434 4.044 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001168181566 1046297899 /nfs/dbraw/zinc/29/78/99/1046297899.db2.gz FVJWVNFBZQDFGE-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001138822962 1046300457 /nfs/dbraw/zinc/30/04/57/1046300457.db2.gz VMJBYIMPPGNDHM-UHFFFAOYSA-N 1 0 316.404 4.490 20 30 DIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NCc3cccc(C#N)c3)cc2)C1 ZINC000237676659 1046311233 /nfs/dbraw/zinc/31/12/33/1046311233.db2.gz UMDHGSAVANCPGX-KRWDZBQOSA-N 1 0 319.452 4.402 20 30 DIEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1ccc(OCC#N)cc1 ZINC000759420168 1046352978 /nfs/dbraw/zinc/35/29/78/1046352978.db2.gz NTFHCGUNNTWCOZ-HXUWFJFHSA-N 1 0 322.452 4.432 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000246448304 1046355521 /nfs/dbraw/zinc/35/55/21/1046355521.db2.gz VAQWEXITFWJXRO-FHLIZLRMSA-N 1 0 318.486 4.131 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000748270737 1046362970 /nfs/dbraw/zinc/36/29/70/1046362970.db2.gz WWQYFPZIAPDCHM-YLJYHZDGSA-N 1 0 324.399 4.284 20 30 DIEDRO C=CCOc1ccccc1CN(C)CCC(=O)c1cccs1 ZINC001139030901 1046365043 /nfs/dbraw/zinc/36/50/43/1046365043.db2.gz XUSJYABYEUXLGO-UHFFFAOYSA-N 1 0 315.438 4.018 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(CCOC)CC2)cc1 ZINC000090535593 1046382841 /nfs/dbraw/zinc/38/28/41/1046382841.db2.gz MCXUCQOSLPGXNY-OAHLLOKOSA-N 1 0 323.864 4.285 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@](C)(CC)CCCCC)CC1 ZINC000780615447 1046397658 /nfs/dbraw/zinc/39/76/58/1046397658.db2.gz LHRRHTAUNPQTEG-IBGZPJMESA-N 1 0 308.510 4.140 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000780745251 1046401775 /nfs/dbraw/zinc/40/17/75/1046401775.db2.gz HTKYZFLCZFZTJH-ZUZCIYMTSA-N 1 0 315.417 4.191 20 30 DIEDRO C=CC[N@H+](Cc1cc(F)cc(Br)c1)C(C)(C)C ZINC001139177740 1046403263 /nfs/dbraw/zinc/40/32/63/1046403263.db2.gz MVGVRKSSESOXRE-UHFFFAOYSA-N 1 0 300.215 4.375 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)cc1 ZINC000780746702 1046403458 /nfs/dbraw/zinc/40/34/58/1046403458.db2.gz QHPPQDMWUJTWJH-ZMSDIMECSA-N 1 0 323.864 4.284 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000780746703 1046403689 /nfs/dbraw/zinc/40/36/89/1046403689.db2.gz QHPPQDMWUJTWJH-ZOBUZTSGSA-N 1 0 323.864 4.284 20 30 DIEDRO N#CCC1CN(Cc2ccccc2Oc2cccc(Cl)c2)C1 ZINC001139259914 1046420011 /nfs/dbraw/zinc/42/00/11/1046420011.db2.gz KEXUMLNTXRDJCE-UHFFFAOYSA-N 1 0 312.800 4.478 20 30 DIEDRO C=CCOCC[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001168208311 1046422052 /nfs/dbraw/zinc/42/20/52/1046422052.db2.gz NQAMXFZIMDAEPH-NRFANRHFSA-N 1 0 307.437 4.031 20 30 DIEDRO CC(CCCC[NH+](C)C)=NOCc1ccc(C(F)(F)F)cc1 ZINC000781127207 1046424997 /nfs/dbraw/zinc/42/49/97/1046424997.db2.gz HDUNZFROWKYLMC-UHFFFAOYSA-N 1 0 316.367 4.330 20 30 DIEDRO CCN(CCC#N)Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001139285852 1046425468 /nfs/dbraw/zinc/42/54/68/1046425468.db2.gz AIVFRXXQGIARBE-UHFFFAOYSA-N 1 0 300.427 4.159 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2cccc(OC)c2)n1 ZINC000639863588 1046432177 /nfs/dbraw/zinc/43/21/77/1046432177.db2.gz NCTORXVCQRTETH-CALCHBBNSA-N 1 0 310.397 4.033 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2)c1 ZINC000749129397 1046432547 /nfs/dbraw/zinc/43/25/47/1046432547.db2.gz QZLJJALFHHRXQC-CRAIPNDOSA-N 1 0 324.424 4.227 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCCCC2)nc1 ZINC001139345135 1046433391 /nfs/dbraw/zinc/43/33/91/1046433391.db2.gz CWJXIKQPLZMVKW-UHFFFAOYSA-N 1 0 321.468 4.260 20 30 DIEDRO N#CC1CC[NH+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000781326865 1046439240 /nfs/dbraw/zinc/43/92/40/1046439240.db2.gz QVTDMOCEMRHAKB-UHFFFAOYSA-N 1 0 300.349 4.034 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2)c1 ZINC001139406888 1046443780 /nfs/dbraw/zinc/44/37/80/1046443780.db2.gz ITBLTXRPHNKMLE-UHFFFAOYSA-N 1 0 317.436 4.386 20 30 DIEDRO Cc1cccc(OCCC[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000781422917 1046444337 /nfs/dbraw/zinc/44/43/37/1046444337.db2.gz NJZOCXOYCYHCQE-OAHLLOKOSA-N 1 0 312.388 4.126 20 30 DIEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425068 1046448346 /nfs/dbraw/zinc/44/83/46/1046448346.db2.gz DCBMMRQHVQGJDZ-QGZVFWFLSA-N 1 0 307.397 4.120 20 30 DIEDRO CCCCC[N@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423279 1046449197 /nfs/dbraw/zinc/44/91/97/1046449197.db2.gz BKZHZPJXBNSENN-UHFFFAOYSA-N 1 0 309.413 4.368 20 30 DIEDRO C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139427160 1046450501 /nfs/dbraw/zinc/45/05/01/1046450501.db2.gz WTTAUDCZZSWRKJ-INIZCTEOSA-N 1 0 321.424 4.368 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2ccsc2)nc1 ZINC001139499714 1046456577 /nfs/dbraw/zinc/45/65/77/1046456577.db2.gz XJYGGHYVBLLUAV-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1F ZINC001139527240 1046463498 /nfs/dbraw/zinc/46/34/98/1046463498.db2.gz BVPRYCBKCMGCDH-QGZVFWFLSA-N 1 0 308.400 4.152 20 30 DIEDRO C=C(C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000677237634 1046476124 /nfs/dbraw/zinc/47/61/24/1046476124.db2.gz LBQAULYXIMTTQC-GHTZIAJQSA-N 1 0 307.437 4.457 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000826861264 1046476230 /nfs/dbraw/zinc/47/62/30/1046476230.db2.gz CYMHHIIWWARTSH-LBPRGKRZSA-N 1 0 314.376 4.424 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000127594936 1046484949 /nfs/dbraw/zinc/48/49/49/1046484949.db2.gz MZZSRBUNLOILBA-INIZCTEOSA-N 1 0 314.454 4.088 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](C)c1ccc(Br)cc1 ZINC000897472931 1046493648 /nfs/dbraw/zinc/49/36/48/1046493648.db2.gz UNTVOEKKMZMNRM-QWHCGFSZSA-N 1 0 309.251 4.082 20 30 DIEDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108728 1046493935 /nfs/dbraw/zinc/49/39/35/1046493935.db2.gz VFSQKSDOBWXDIX-KDOFPFPSSA-N 1 0 318.848 4.254 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1cc(C#N)ccc1F ZINC001139651756 1046494663 /nfs/dbraw/zinc/49/46/63/1046494663.db2.gz UIFOVSCGDUKUAR-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO Cc1cc(O)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1Cl ZINC000826910515 1046494920 /nfs/dbraw/zinc/49/49/20/1046494920.db2.gz JNSVYQPPOHCBHD-UHFFFAOYSA-N 1 0 314.816 4.251 20 30 DIEDRO N#Cc1ccc(F)c(C[NH+]2CCC(c3cccs3)CC2)c1 ZINC001139651655 1046495022 /nfs/dbraw/zinc/49/50/22/1046495022.db2.gz SCUOATQWAINOFZ-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000782181915 1046497843 /nfs/dbraw/zinc/49/78/43/1046497843.db2.gz KMWXBZBVAOOMMG-INIZCTEOSA-N 1 0 316.445 4.382 20 30 DIEDRO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001139691148 1046499713 /nfs/dbraw/zinc/49/97/13/1046499713.db2.gz UHBHTHNXWSVYNC-INIZCTEOSA-N 1 0 310.828 4.276 20 30 DIEDRO C[N@H+](CCCc1ccccc1)Cc1c[nH]c2c1cccc2C#N ZINC001139705067 1046500717 /nfs/dbraw/zinc/50/07/17/1046500717.db2.gz LDDDSPYXIZBCMB-UHFFFAOYSA-N 1 0 303.409 4.104 20 30 DIEDRO CC(C)[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1 ZINC001139701403 1046501053 /nfs/dbraw/zinc/50/10/53/1046501053.db2.gz HDMWGYQOTAXTIJ-UHFFFAOYSA-N 1 0 303.409 4.450 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1c[nH]c2c1cccc2C#N ZINC001139703758 1046501505 /nfs/dbraw/zinc/50/15/05/1046501505.db2.gz UAYVBQHKKMWGKP-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CC[C@H](c4ccccc4)C3)c[nH]c21 ZINC001139701881 1046501563 /nfs/dbraw/zinc/50/15/63/1046501563.db2.gz ROKBLESTFCVUCU-KRWDZBQOSA-N 1 0 301.393 4.029 20 30 DIEDRO C[N@H+](Cc1c[nH]c2c1cccc2C#N)[C@@H]1CCc2ccccc21 ZINC001139707579 1046503506 /nfs/dbraw/zinc/50/35/06/1046503506.db2.gz KRIXKKCNIGNRDK-LJQANCHMSA-N 1 0 301.393 4.159 20 30 DIEDRO C[N@H+](Cc1c[nH]c2c1cccc2C#N)C(C)(C)Cc1ccccc1 ZINC001139706822 1046503849 /nfs/dbraw/zinc/50/38/49/1046503849.db2.gz JHQVWQFMLGGSOT-UHFFFAOYSA-N 1 0 317.436 4.493 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(C)c(C#N)c3)C2)c1 ZINC001139727264 1046505482 /nfs/dbraw/zinc/50/54/82/1046505482.db2.gz LHYONFOMXCEOAY-LJQANCHMSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)cc1C#N ZINC001139726276 1046505705 /nfs/dbraw/zinc/50/57/05/1046505705.db2.gz DUAVDNLMYWGNDZ-LJQANCHMSA-N 1 0 323.465 4.018 20 30 DIEDRO COC1(c2ccccc2)CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001139726134 1046506797 /nfs/dbraw/zinc/50/67/97/1046506797.db2.gz UVZLIFZIKHNHGT-UHFFFAOYSA-N 1 0 320.436 4.004 20 30 DIEDRO COc1cccc([C@H]2CCC[N@H+](Cc3ccc(C)c(C#N)c3)C2)c1 ZINC001139727263 1046507276 /nfs/dbraw/zinc/50/72/76/1046507276.db2.gz LHYONFOMXCEOAY-IBGZPJMESA-N 1 0 320.436 4.255 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cnc2cccnc2c1 ZINC001139740605 1046509085 /nfs/dbraw/zinc/50/90/85/1046509085.db2.gz CXVNTWIGZZYEOS-UHFFFAOYSA-N 1 0 303.409 4.208 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cc(=O)n(C)c2ccccc12 ZINC001139757353 1046514739 /nfs/dbraw/zinc/51/47/39/1046514739.db2.gz OZMFMDZMJDWRHB-UHFFFAOYSA-N 1 0 314.473 4.331 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001139822572 1046527160 /nfs/dbraw/zinc/52/71/60/1046527160.db2.gz GMADGYBNYPZSHH-HNNXBMFYSA-N 1 0 311.454 4.244 20 30 DIEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001139875715 1046538989 /nfs/dbraw/zinc/53/89/89/1046538989.db2.gz BMQUMECMBLYEFN-MRXNPFEDSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001139874905 1046539347 /nfs/dbraw/zinc/53/93/47/1046539347.db2.gz QVVQWAKVYZZVEQ-KRWDZBQOSA-N 1 0 308.400 4.152 20 30 DIEDRO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC001139876252 1046539901 /nfs/dbraw/zinc/53/99/01/1046539901.db2.gz OKEHOHPCMZXDNM-IBGZPJMESA-N 1 0 308.400 4.467 20 30 DIEDRO C#CC[N@H+](Cc1cc2ccccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC001137319008 1046540234 /nfs/dbraw/zinc/54/02/34/1046540234.db2.gz AKUXETGZKSGMCF-OAQYLSRUSA-N 1 0 300.405 4.291 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)c1 ZINC001139878585 1046540666 /nfs/dbraw/zinc/54/06/66/1046540666.db2.gz OXEISHURTWZJIL-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC001139875714 1046540857 /nfs/dbraw/zinc/54/08/57/1046540857.db2.gz BMQUMECMBLYEFN-INIZCTEOSA-N 1 0 314.791 4.340 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000237339398 1046552271 /nfs/dbraw/zinc/55/22/71/1046552271.db2.gz ZIBAQSCPMGXCEK-DLBZAZTESA-N 1 0 308.425 4.088 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc2cnn(C)c2c1 ZINC001139908525 1046552975 /nfs/dbraw/zinc/55/29/75/1046552975.db2.gz JDJHUUAHWHZUGT-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)nc1 ZINC000783299592 1046574688 /nfs/dbraw/zinc/57/46/88/1046574688.db2.gz DXGMVIPJRCZNLL-OAHLLOKOSA-N 1 0 318.207 4.037 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)nc1 ZINC000783294379 1046575760 /nfs/dbraw/zinc/57/57/60/1046575760.db2.gz OUKOIDRRXJMOOH-QGZVFWFLSA-N 1 0 319.433 4.335 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)C[C@H](c2ccccc2)C1 ZINC000783295053 1046576005 /nfs/dbraw/zinc/57/60/05/1046576005.db2.gz YEWOBLPBMYZJPI-QKYXUNIQSA-N 1 0 305.425 4.015 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(SC(F)F)cc1 ZINC000783301329 1046576591 /nfs/dbraw/zinc/57/65/91/1046576591.db2.gz WESGUMRYWXPUJB-LLVKDONJSA-N 1 0 319.380 4.119 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000783312097 1046578385 /nfs/dbraw/zinc/57/83/85/1046578385.db2.gz ZQLDEDVZGJSONR-RHSMWYFYSA-N 1 0 307.821 4.161 20 30 DIEDRO CC1(C)CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236631306 1046591167 /nfs/dbraw/zinc/59/11/67/1046591167.db2.gz PKDOEWXNXMMSQP-UHFFFAOYSA-N 1 0 300.446 4.428 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H](C4CCCCC4)C3)c2c1 ZINC001140115061 1046594052 /nfs/dbraw/zinc/59/40/52/1046594052.db2.gz LIYDDANFTFJVOS-KRWDZBQOSA-N 1 0 307.441 4.442 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccc(C)cc1 ZINC001140117453 1046594771 /nfs/dbraw/zinc/59/47/71/1046594771.db2.gz RCIXCAYMZHEDNV-UHFFFAOYSA-N 1 0 303.409 4.370 20 30 DIEDRO Cc1ccc(C[N@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cc1C ZINC001140117464 1046594905 /nfs/dbraw/zinc/59/49/05/1046594905.db2.gz ROKOQNHBGXUEFZ-UHFFFAOYSA-N 1 0 303.409 4.288 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CCCC4(CC(F)C4)CC3)c2c1 ZINC001140115577 1046595031 /nfs/dbraw/zinc/59/50/31/1046595031.db2.gz HQFDDOKTYSKMSX-UHFFFAOYSA-N 1 0 311.404 4.144 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)c2c1 ZINC001140115062 1046595116 /nfs/dbraw/zinc/59/51/16/1046595116.db2.gz LIYDDANFTFJVOS-QGZVFWFLSA-N 1 0 307.441 4.442 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000678238413 1046597470 /nfs/dbraw/zinc/59/74/70/1046597470.db2.gz IEATWGRRUCUXEX-OAQYLSRUSA-N 1 0 323.436 4.215 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cc1F ZINC000237749534 1046598521 /nfs/dbraw/zinc/59/85/21/1046598521.db2.gz OMXDZZVWJCZMSQ-UHFFFAOYSA-N 1 0 312.388 4.107 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccccn2)C2CCCCC2)c(F)c1 ZINC001140140221 1046600229 /nfs/dbraw/zinc/60/02/29/1046600229.db2.gz NLISSBMQIWSHIH-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO C#CC[N@H+](Cc1cccc2cnccc21)[C@@H]1CCc2ccccc21 ZINC001140143285 1046600533 /nfs/dbraw/zinc/60/05/33/1046600533.db2.gz IIGHDFINOOODPD-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC001140147769 1046602119 /nfs/dbraw/zinc/60/21/19/1046602119.db2.gz VKRAFMORIHSCMC-OTWHNJEPSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC001140147766 1046602198 /nfs/dbraw/zinc/60/21/98/1046602198.db2.gz VKRAFMORIHSCMC-GBESFXJTSA-N 1 0 322.537 4.458 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000783518295 1046603324 /nfs/dbraw/zinc/60/33/24/1046603324.db2.gz LOSKCKVVDOZQKY-ZDUSSCGKSA-N 1 0 314.429 4.140 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000245506059 1046608724 /nfs/dbraw/zinc/60/87/24/1046608724.db2.gz NFBYBWZOFDRCBB-YOEHRIQHSA-N 1 0 312.438 4.376 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000248402551 1046608917 /nfs/dbraw/zinc/60/89/17/1046608917.db2.gz VPLUHORDGPXRKC-MWDXBVQZSA-N 1 0 322.493 4.109 20 30 DIEDRO COc1ccc(C[NH2+]C[C@@H](C)c2cccc(Cl)c2)cc1C#N ZINC000783647818 1046618175 /nfs/dbraw/zinc/61/81/75/1046618175.db2.gz YUFIROJYGRXAFR-CYBMUJFWSA-N 1 0 314.816 4.114 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)C(C)(C)CC)ccc1OC ZINC000834645282 1046644771 /nfs/dbraw/zinc/64/47/71/1046644771.db2.gz AFTGSZBSBNGDFU-HOCLYGCPSA-N 1 0 318.461 4.290 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)C(C)(C)CC)ccc1OC ZINC000834645283 1046645050 /nfs/dbraw/zinc/64/50/50/1046645050.db2.gz AFTGSZBSBNGDFU-ZBFHGGJFSA-N 1 0 318.461 4.290 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CCC(O)(CC)CC2)cc1Cl ZINC000678497433 1046648899 /nfs/dbraw/zinc/64/88/99/1046648899.db2.gz FLTQHMCQRSSPBH-UHFFFAOYSA-N 1 0 323.864 4.078 20 30 DIEDRO C[C@]1(C#N)CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000784014888 1046650128 /nfs/dbraw/zinc/65/01/28/1046650128.db2.gz SQYBHJBILXWJKI-HXUWFJFHSA-N 1 0 324.424 4.143 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000643321476 1046659916 /nfs/dbraw/zinc/65/99/16/1046659916.db2.gz QRWPTUAHFWOTSX-SFHVURJKSA-N 1 0 309.457 4.096 20 30 DIEDRO C[C@H](Cc1cccs1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000678593979 1046667922 /nfs/dbraw/zinc/66/79/22/1046667922.db2.gz GGLAOPSITQRKQT-CYBMUJFWSA-N 1 0 323.383 4.339 20 30 DIEDRO C=C(C)COCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000678596728 1046668996 /nfs/dbraw/zinc/66/89/96/1046668996.db2.gz MCXTWVAPYGBYHS-AWEZNQCLSA-N 1 0 300.229 4.163 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000245918984 1046670199 /nfs/dbraw/zinc/67/01/99/1046670199.db2.gz NNQCTWFIWZZMOD-HZSPNIEDSA-N 1 0 323.362 4.231 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(Cl)nc1 ZINC000795778676 1046676876 /nfs/dbraw/zinc/67/68/76/1046676876.db2.gz RIFYXTHTYATFFA-KRWDZBQOSA-N 1 0 311.816 4.164 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCSC(F)(F)F ZINC000795778443 1046677307 /nfs/dbraw/zinc/67/73/07/1046677307.db2.gz ONSNRXCJQYGSRP-CQSZACIVSA-N 1 0 314.376 4.168 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000678606926 1046677504 /nfs/dbraw/zinc/67/75/04/1046677504.db2.gz YUWIJWBVONHWPS-CQSZACIVSA-N 1 0 300.229 4.163 20 30 DIEDRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000795793974 1046679095 /nfs/dbraw/zinc/67/90/95/1046679095.db2.gz BCURLXJELVQYRF-LZLYRXPVSA-N 1 0 300.471 4.199 20 30 DIEDRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000795793972 1046679183 /nfs/dbraw/zinc/67/91/83/1046679183.db2.gz BCURLXJELVQYRF-JZXOWHBKSA-N 1 0 300.471 4.199 20 30 DIEDRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000795793976 1046679215 /nfs/dbraw/zinc/67/92/15/1046679215.db2.gz BCURLXJELVQYRF-NUJGCVRESA-N 1 0 300.471 4.199 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CC(C)(C)C1 ZINC000784350144 1046682790 /nfs/dbraw/zinc/68/27/90/1046682790.db2.gz IMCGYUVDDUBAPK-ZDUSSCGKSA-N 1 0 306.837 4.110 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CC(C)(C)C1 ZINC000784350141 1046683448 /nfs/dbraw/zinc/68/34/48/1046683448.db2.gz IMCGYUVDDUBAPK-CYBMUJFWSA-N 1 0 306.837 4.110 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(OCC#N)cc1 ZINC000795829716 1046683519 /nfs/dbraw/zinc/68/35/19/1046683519.db2.gz HFEAYKALZZDZPB-CBZIJGRNSA-N 1 0 300.446 4.312 20 30 DIEDRO CCC[N@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1Cl ZINC000784342509 1046683493 /nfs/dbraw/zinc/68/34/93/1046683493.db2.gz WCAYCYOCIXXSOT-UHFFFAOYSA-N 1 0 314.816 4.329 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000795838911 1046685188 /nfs/dbraw/zinc/68/51/88/1046685188.db2.gz IZNAFDUNKOOWMA-SJKOYZFVSA-N 1 0 311.816 4.335 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1 ZINC000834878503 1046695029 /nfs/dbraw/zinc/69/50/29/1046695029.db2.gz DULVENCSVPLREO-KBPBESRZSA-N 1 0 311.853 4.018 20 30 DIEDRO COc1c(C)cc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1Cl ZINC000834880331 1046695061 /nfs/dbraw/zinc/69/50/61/1046695061.db2.gz ULDDERDOQAOBSW-YDHLFZDLSA-N 1 0 306.837 4.390 20 30 DIEDRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000834897551 1046707886 /nfs/dbraw/zinc/70/78/86/1046707886.db2.gz TXJIQWVOSBSUKV-HNNXBMFYSA-N 1 0 324.399 4.154 20 30 DIEDRO COc1ccc2c(N[C@@H]3CCc4cc(C#N)ccc43)cc[nH+]c2c1 ZINC000784827217 1046710827 /nfs/dbraw/zinc/71/08/27/1046710827.db2.gz GDMSFIIZSFYAOS-GOSISDBHSA-N 1 0 315.376 4.214 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000834902556 1046711379 /nfs/dbraw/zinc/71/13/79/1046711379.db2.gz HCUZVZDTBGFQAU-HOTGVXAUSA-N 1 0 323.864 4.285 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)c1 ZINC000834904024 1046715978 /nfs/dbraw/zinc/71/59/78/1046715978.db2.gz USXCYCRUSKMGBT-IBGZPJMESA-N 1 0 320.392 4.002 20 30 DIEDRO C=CCCC[N@@H+](C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000533439073 1046719943 /nfs/dbraw/zinc/71/99/43/1046719943.db2.gz FVLZFERDJOSIDQ-UHFFFAOYSA-N 1 0 324.424 4.315 20 30 DIEDRO N#CCC[N@@H+](Cc1c[nH]c2cccc(Cl)c12)C1CCCC1 ZINC001140436667 1046724251 /nfs/dbraw/zinc/72/42/51/1046724251.db2.gz LEAOZMVWHNPOAY-UHFFFAOYSA-N 1 0 301.821 4.480 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000533446304 1046727535 /nfs/dbraw/zinc/72/75/35/1046727535.db2.gz PAXGAWUQZRDZFG-OCCSQVGLSA-N 1 0 314.326 4.156 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1nccs1 ZINC001140452106 1046731931 /nfs/dbraw/zinc/73/19/31/1046731931.db2.gz HJXVRRZPTJRYMM-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1nccs1 ZINC001140454540 1046734313 /nfs/dbraw/zinc/73/43/13/1046734313.db2.gz INJNOHRSCFLIRX-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1C#N ZINC000533538970 1046745231 /nfs/dbraw/zinc/74/52/31/1046745231.db2.gz CZRSLXKENZCZON-GOSISDBHSA-N 1 0 310.372 4.043 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000533538911 1046745558 /nfs/dbraw/zinc/74/55/58/1046745558.db2.gz OMJOTCMYCKHKQZ-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1C#N ZINC000533538980 1046747684 /nfs/dbraw/zinc/74/76/84/1046747684.db2.gz CZRSLXKENZCZON-SFHVURJKSA-N 1 0 310.372 4.043 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796977491 1046767036 /nfs/dbraw/zinc/76/70/36/1046767036.db2.gz JIASEHOYARWMKO-ZQIUZPCESA-N 1 0 323.864 4.289 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796977487 1046767397 /nfs/dbraw/zinc/76/73/97/1046767397.db2.gz JIASEHOYARWMKO-KEYYUXOJSA-N 1 0 323.864 4.289 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1 ZINC000432249185 1046776560 /nfs/dbraw/zinc/77/65/60/1046776560.db2.gz DEPLDUQYCUDVGC-UHFFFAOYSA-N 1 0 317.473 4.325 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)cc1 ZINC000797083693 1046786139 /nfs/dbraw/zinc/78/61/39/1046786139.db2.gz FQZAPDVTDLIJMD-JLJPHGGASA-N 1 0 323.864 4.141 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1 ZINC000797083698 1046787236 /nfs/dbraw/zinc/78/72/36/1046787236.db2.gz FQZAPDVTDLIJMD-QRTARXTBSA-N 1 0 323.864 4.141 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000645477642 1046794542 /nfs/dbraw/zinc/79/45/42/1046794542.db2.gz AGCJIRZMKUYTAF-HUUCEWRRSA-N 1 0 305.462 4.388 20 30 DIEDRO Cc1ccc(F)cc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001140588627 1046797178 /nfs/dbraw/zinc/79/71/78/1046797178.db2.gz ZIBVBHULTYXITR-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001140592475 1046801094 /nfs/dbraw/zinc/80/10/94/1046801094.db2.gz NIENUCMGFKQMFJ-HXUWFJFHSA-N 1 0 324.399 4.049 20 30 DIEDRO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001140600955 1046806070 /nfs/dbraw/zinc/80/60/70/1046806070.db2.gz BXKNYQCUDBEPLS-KRWDZBQOSA-N 1 0 310.828 4.276 20 30 DIEDRO COc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(C)c1 ZINC001140675954 1046845545 /nfs/dbraw/zinc/84/55/45/1046845545.db2.gz ZSQHPOAJPSHRCI-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(OC)cc1C)[C@@H]1CCc2ccccc21 ZINC001140678202 1046849166 /nfs/dbraw/zinc/84/91/66/1046849166.db2.gz UCLREBYLTFOHQF-OAQYLSRUSA-N 1 0 305.421 4.126 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000248887855 1046854728 /nfs/dbraw/zinc/85/47/28/1046854728.db2.gz SIEZRGWLGJIYRT-YRNRMSPPSA-N 1 0 305.425 4.482 20 30 DIEDRO CC[N@H+](Cc1cc(C)nc(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000797590140 1046857818 /nfs/dbraw/zinc/85/78/18/1046857818.db2.gz ZGFXAALPUASIIN-AWEZNQCLSA-N 1 0 313.832 4.498 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3occc3c2)c1 ZINC000796308718 1046876589 /nfs/dbraw/zinc/87/65/89/1046876589.db2.gz SILFACNKHMCULM-SFHVURJKSA-N 1 0 320.392 4.404 20 30 DIEDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237377856 1046880713 /nfs/dbraw/zinc/88/07/13/1046880713.db2.gz XQFMCXNHDYLMTL-MRXNPFEDSA-N 1 0 301.478 4.341 20 30 DIEDRO N#Cc1c(F)cc(C[NH+]2CCC3(CCCCC3)CC2)cc1F ZINC001140750944 1046884051 /nfs/dbraw/zinc/88/40/51/1046884051.db2.gz DEXMMVDOFNAGGK-UHFFFAOYSA-N 1 0 304.384 4.383 20 30 DIEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140752839 1046885127 /nfs/dbraw/zinc/88/51/27/1046885127.db2.gz PWSAOCZZQYKROI-IBGZPJMESA-N 1 0 312.363 4.482 20 30 DIEDRO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1cccc2cccnc21 ZINC001140754421 1046887765 /nfs/dbraw/zinc/88/77/65/1046887765.db2.gz ZCFYAELYLYXNIN-UHFFFAOYSA-N 1 0 323.346 4.017 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755297 1046889640 /nfs/dbraw/zinc/88/96/40/1046889640.db2.gz ZAQISSAJLWQMAX-GOSISDBHSA-N 1 0 300.352 4.420 20 30 DIEDRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001140780575 1046892465 /nfs/dbraw/zinc/89/24/65/1046892465.db2.gz FJBPCCOADBADTO-HXUWFJFHSA-N 1 0 324.399 4.049 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000797876534 1046899731 /nfs/dbraw/zinc/89/97/31/1046899731.db2.gz ADFCFURFTWBAKW-MXVIHJGJSA-N 1 0 305.421 4.125 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1Cl ZINC001140809945 1046912419 /nfs/dbraw/zinc/91/24/19/1046912419.db2.gz NUNCOHIZEDHOQI-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1Cl ZINC001140813075 1046913503 /nfs/dbraw/zinc/91/35/03/1046913503.db2.gz WBDULBLILYYVCK-HNNXBMFYSA-N 1 0 306.812 4.316 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000797999282 1046918461 /nfs/dbraw/zinc/91/84/61/1046918461.db2.gz SHRMSSMKQMULOK-VMGRFDJRSA-N 1 0 309.837 4.068 20 30 DIEDRO C=CCCCC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796355127 1046931118 /nfs/dbraw/zinc/93/11/18/1046931118.db2.gz CJQSTQZOTYSFJX-UHFFFAOYSA-N 1 0 310.482 4.016 20 30 DIEDRO C[C@@H]1SCC[N@H+](Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000303681113 1046947687 /nfs/dbraw/zinc/94/76/87/1046947687.db2.gz JAURUKAKCJGZDZ-HNAYVOBHSA-N 1 0 308.450 4.237 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000303680585 1046948230 /nfs/dbraw/zinc/94/82/30/1046948230.db2.gz IWSBRASTJCMAQT-KRWDZBQOSA-N 1 0 320.436 4.410 20 30 DIEDRO COc1ccc(NC(=[NH2+])NCCCCCCC(C)C)cc1OC ZINC000303718216 1046951569 /nfs/dbraw/zinc/95/15/69/1046951569.db2.gz UVHJQPCNNXYTSY-UHFFFAOYSA-N 1 0 321.465 4.037 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]CCCCC#N)sc1Br ZINC000286651490 1046953915 /nfs/dbraw/zinc/95/39/15/1046953915.db2.gz UFENXZQNDNYYJK-SNVBAGLBSA-N 1 0 301.253 4.164 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140941605 1046955885 /nfs/dbraw/zinc/95/58/85/1046955885.db2.gz OJEDMEONLTYGRN-HNNXBMFYSA-N 1 0 313.832 4.256 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941333 1046956005 /nfs/dbraw/zinc/95/60/05/1046956005.db2.gz GNADIZVGUMGWSF-HNNXBMFYSA-N 1 0 313.832 4.256 20 30 DIEDRO Cc1ccc(C2CC(=[NH+]n3cnnc3-c3ccccc3)C2)cc1 ZINC000729816700 1046960332 /nfs/dbraw/zinc/96/03/32/1046960332.db2.gz QFDFZJBKQXYREE-UHFFFAOYSA-N 1 0 302.381 4.035 20 30 DIEDRO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140966457 1046964589 /nfs/dbraw/zinc/96/45/89/1046964589.db2.gz XQTJSKHUBRMDRP-XMQYKBBCSA-N 1 0 324.346 4.160 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccccc1Cl ZINC000037219068 1046966438 /nfs/dbraw/zinc/96/64/38/1046966438.db2.gz UWTNUWAKPVKTQO-CYBMUJFWSA-N 1 0 300.789 4.093 20 30 DIEDRO C=CCC[N@@H+](Cc1c[nH]nc1C(F)(F)F)Cc1ccccc1 ZINC001141015309 1046979844 /nfs/dbraw/zinc/97/98/44/1046979844.db2.gz PKSOPQWORCZVBC-UHFFFAOYSA-N 1 0 309.335 4.007 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000798930261 1046986958 /nfs/dbraw/zinc/98/69/58/1046986958.db2.gz MPLUWGIKNACRRG-FUHWJXTLSA-N 1 0 323.415 4.217 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1cn2c(cccc2C)n1)c1ccco1 ZINC000647363991 1046993844 /nfs/dbraw/zinc/99/38/44/1046993844.db2.gz PSGUFUGFFCEPHT-KRWDZBQOSA-N 1 0 309.413 4.075 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1cn2c(cccc2C)n1)c1ccco1 ZINC000647363992 1046993969 /nfs/dbraw/zinc/99/39/69/1046993969.db2.gz PSGUFUGFFCEPHT-QGZVFWFLSA-N 1 0 309.413 4.075 20 30 DIEDRO CCCCc1ncc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)[nH]1 ZINC001141070035 1046996904 /nfs/dbraw/zinc/99/69/04/1046996904.db2.gz MAILPAZEMUOWSC-UHFFFAOYSA-N 1 0 322.456 4.004 20 30 DIEDRO CCCCCCCCC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799029688 1046997066 /nfs/dbraw/zinc/99/70/66/1046997066.db2.gz MBSXVHWIKPABPC-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1ccco1 ZINC000476010003 1047003034 /nfs/dbraw/zinc/00/30/34/1047003034.db2.gz UIYYOINLBQOIDZ-IBGZPJMESA-N 1 0 321.424 4.305 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCCc2c[nH]c3cccc(C)c23)c1 ZINC000303973447 1047011886 /nfs/dbraw/zinc/01/18/86/1047011886.db2.gz GWTBRMQWWINDJC-UHFFFAOYSA-N 1 0 320.440 4.008 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3nc(C)sc32)cc1 ZINC000272549562 1047015707 /nfs/dbraw/zinc/01/57/07/1047015707.db2.gz QYEPOLBLYFVHAH-MRXNPFEDSA-N 1 0 314.454 4.184 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)C1CC1 ZINC000273425297 1047018185 /nfs/dbraw/zinc/01/81/85/1047018185.db2.gz KDSYIDVWEJROJQ-GBESFXJTSA-N 1 0 303.421 4.380 20 30 DIEDRO CCCCn1nc(C)c(C[NH2+]CC2CCC(C#N)CC2)c1Cl ZINC000799343686 1047019698 /nfs/dbraw/zinc/01/96/98/1047019698.db2.gz KWULMCSIOZSLOY-UHFFFAOYSA-N 1 0 322.884 4.065 20 30 DIEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)cc(C)c1OC(F)F ZINC000799343527 1047019815 /nfs/dbraw/zinc/01/98/15/1047019815.db2.gz IELVBZGDEWWVGG-UHFFFAOYSA-N 1 0 322.399 4.324 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cc(O)c(OC)c(OC)c1 ZINC001141172015 1047033402 /nfs/dbraw/zinc/03/34/02/1047033402.db2.gz LXMKFZAKGOPKQU-UHFFFAOYSA-N 1 0 309.450 4.202 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c(F)c1 ZINC001141194609 1047040602 /nfs/dbraw/zinc/04/06/02/1047040602.db2.gz FQFRUIIFJIAIOO-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO CC[N@H+](Cc1ccc2[nH]cnc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000536650532 1047049598 /nfs/dbraw/zinc/04/95/98/1047049598.db2.gz NTUFBWYMWJWSRM-CQSZACIVSA-N 1 0 304.397 4.018 20 30 DIEDRO [NH2+]=C(NCCC(F)(F)F)Nc1cccc(Oc2ccccc2)c1 ZINC000304762904 1047053815 /nfs/dbraw/zinc/05/38/15/1047053815.db2.gz WEBJMWVBOIKYJK-UHFFFAOYSA-N 1 0 323.318 4.158 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCc2ccccc2OCC2CC2)cc1C ZINC000304760642 1047054680 /nfs/dbraw/zinc/05/46/80/1047054680.db2.gz SSIVXGYJGAVMHS-UHFFFAOYSA-N 1 0 323.440 4.019 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCCc2c(OC)cccc21)c1ccncc1 ZINC000799719333 1047055899 /nfs/dbraw/zinc/05/58/99/1047055899.db2.gz ZSQQCJARUNTWMW-MOPGFXCFSA-N 1 0 308.425 4.375 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc2c(cc1O)CCCC2 ZINC000799726990 1047058190 /nfs/dbraw/zinc/05/81/90/1047058190.db2.gz UNPNABHVBSMCAF-FHERZECASA-N 1 0 312.457 4.252 20 30 DIEDRO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CCC1 ZINC000536678615 1047067204 /nfs/dbraw/zinc/06/72/04/1047067204.db2.gz GJOOKRUYCYQNGR-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141289659 1047078322 /nfs/dbraw/zinc/07/83/22/1047078322.db2.gz MDRBBHFPPDAJOF-RHSMWYFYSA-N 1 0 310.372 4.283 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCC2(CCOC)CCC2)cc1 ZINC000305065369 1047090902 /nfs/dbraw/zinc/09/09/02/1047090902.db2.gz HTAVFXPTIJNCOV-HNNXBMFYSA-N 1 0 317.477 4.134 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000827506095 1047093745 /nfs/dbraw/zinc/09/37/45/1047093745.db2.gz CTQMCUPRUZXXAA-KRWDZBQOSA-N 1 0 310.526 4.173 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536842957 1047109972 /nfs/dbraw/zinc/10/99/72/1047109972.db2.gz BOTYABNMPFZNHQ-HUUCEWRRSA-N 1 0 301.352 4.073 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC001116139781 1047112349 /nfs/dbraw/zinc/11/23/49/1047112349.db2.gz USDZLHQWKWBMFE-UHFFFAOYSA-N 1 0 317.791 4.171 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000537014316 1047131475 /nfs/dbraw/zinc/13/14/75/1047131475.db2.gz JRUCUWMZUXNJSI-TUNPWDSISA-N 1 0 324.468 4.417 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000537014315 1047131877 /nfs/dbraw/zinc/13/18/77/1047131877.db2.gz JRUCUWMZUXNJSI-NTFDOXNWSA-N 1 0 324.468 4.417 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001141444674 1047133118 /nfs/dbraw/zinc/13/31/18/1047133118.db2.gz VTBJHMMJLUSCSS-FQEVSTJZSA-N 1 0 322.537 4.462 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC001116459675 1047145310 /nfs/dbraw/zinc/14/53/10/1047145310.db2.gz KZAZCSAZTPURHX-HXUWFJFHSA-N 1 0 306.409 4.146 20 30 DIEDRO C[C@@H]([NH2+]CCCCOc1ccccc1)c1ccc(OCC#N)cc1 ZINC001116488676 1047147972 /nfs/dbraw/zinc/14/79/72/1047147972.db2.gz UPMQRDBFVGWVTF-QGZVFWFLSA-N 1 0 324.424 4.099 20 30 DIEDRO C[C@H]([NH2+]CCCCOc1ccccc1)c1ccc(OCC#N)cc1 ZINC001116488673 1047148012 /nfs/dbraw/zinc/14/80/12/1047148012.db2.gz UPMQRDBFVGWVTF-KRWDZBQOSA-N 1 0 324.424 4.099 20 30 DIEDRO COc1ccccc1C1([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CCC1 ZINC001116494734 1047149807 /nfs/dbraw/zinc/14/98/07/1047149807.db2.gz IYGQTEMKHNKWFC-CQSZACIVSA-N 1 0 324.399 4.436 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H]2CCc3ccccc32)cc1 ZINC000827745980 1047152540 /nfs/dbraw/zinc/15/25/40/1047152540.db2.gz JSZOQOBOSVWMBQ-APWZRJJASA-N 1 0 320.436 4.139 20 30 DIEDRO CCO[C@@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1)C1CCCC1 ZINC000537294978 1047161357 /nfs/dbraw/zinc/16/13/57/1047161357.db2.gz IFXOQTQVSIFUKG-KXBFYZLASA-N 1 0 300.446 4.194 20 30 DIEDRO FC(F)(F)CCCC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709906 1047166347 /nfs/dbraw/zinc/16/63/47/1047166347.db2.gz FBDGPNQQUVMDGJ-UHFFFAOYSA-N 1 0 307.253 4.085 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000838915643 1047174015 /nfs/dbraw/zinc/17/40/15/1047174015.db2.gz NWOVOPYTIVHGSN-HOTGVXAUSA-N 1 0 313.363 4.073 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000649779615 1047174460 /nfs/dbraw/zinc/17/44/60/1047174460.db2.gz OTQXDFWLDVAELO-ZOBUZTSGSA-N 1 0 317.477 4.192 20 30 DIEDRO C#CC1CC[NH+](Cc2cc3cccc(Cl)c3nc2Cl)CC1 ZINC001141550411 1047179864 /nfs/dbraw/zinc/17/98/64/1047179864.db2.gz ZLNNMHNTEIOUNC-UHFFFAOYSA-N 1 0 319.235 4.387 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC001141572126 1047196958 /nfs/dbraw/zinc/19/69/58/1047196958.db2.gz XPONGOJERJQFPD-UHFFFAOYSA-N 1 0 302.462 4.380 20 30 DIEDRO C=CCCCC[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839152843 1047198674 /nfs/dbraw/zinc/19/86/74/1047198674.db2.gz WBCVPLQUJOSOBR-GOSISDBHSA-N 1 0 309.400 4.067 20 30 DIEDRO C[N@H+](Cc1c[nH]c2cc(Cl)ccc12)Cc1ccc(C#N)cc1 ZINC001141583907 1047205067 /nfs/dbraw/zinc/20/50/67/1047205067.db2.gz XHVMHLBUMLDRON-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000796416987 1047219375 /nfs/dbraw/zinc/21/93/75/1047219375.db2.gz LVGXXELJDIDAQM-FXAWDEMLSA-N 1 0 301.474 4.485 20 30 DIEDRO N#CC1(CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CCCCC1 ZINC000839505249 1047241996 /nfs/dbraw/zinc/24/19/96/1047241996.db2.gz LUZWKXWZBSDWLQ-IAGOWNOFSA-N 1 0 316.445 4.032 20 30 DIEDRO Cc1ccccc1OCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000839608283 1047251830 /nfs/dbraw/zinc/25/18/30/1047251830.db2.gz REUPSCRGKQFNAY-LJQANCHMSA-N 1 0 308.425 4.399 20 30 DIEDRO CCC(CC)[N@H+](CC)Cc1cc(C#N)ccc1Br ZINC001141662409 1047255194 /nfs/dbraw/zinc/25/51/94/1047255194.db2.gz ITVMAEYEUUIPEP-UHFFFAOYSA-N 1 0 309.251 4.331 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCSC(C)(C)C2)cc1 ZINC000897792955 1047289647 /nfs/dbraw/zinc/28/96/47/1047289647.db2.gz HZOCUDOQUQLGNF-MRXNPFEDSA-N 1 0 302.487 4.252 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCS1 ZINC000897800169 1047291075 /nfs/dbraw/zinc/29/10/75/1047291075.db2.gz ORYVMKZZLDPFSZ-INIZCTEOSA-N 1 0 318.486 4.133 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cncs2)cc1Cl ZINC000897935137 1047302899 /nfs/dbraw/zinc/30/28/99/1047302899.db2.gz TVKLACYVRODAOP-LLVKDONJSA-N 1 0 308.834 4.212 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)ccc1C#N ZINC001141938941 1047312695 /nfs/dbraw/zinc/31/26/95/1047312695.db2.gz KDOMWOIPFBQPJX-QGZVFWFLSA-N 1 0 323.465 4.055 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@H]2c2ccccc2)ccc1C#N ZINC001141938565 1047312928 /nfs/dbraw/zinc/31/29/28/1047312928.db2.gz FLFLNLFOYDYPFP-KRWDZBQOSA-N 1 0 309.438 4.012 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C1CCCCC1 ZINC000725853035 1047320616 /nfs/dbraw/zinc/32/06/16/1047320616.db2.gz NAZPPXAAOGFQOQ-HXUWFJFHSA-N 1 0 313.489 4.485 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccncc1 ZINC000840724234 1047321379 /nfs/dbraw/zinc/32/13/79/1047321379.db2.gz VEBRGAIHMJKSCI-ULQDDVLXSA-N 1 0 302.462 4.271 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651700375 1047322164 /nfs/dbraw/zinc/32/21/64/1047322164.db2.gz BQQFYUWQIKKAQJ-KRWDZBQOSA-N 1 0 321.468 4.050 20 30 DIEDRO C=C(C)c1cccc(NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000898311376 1047338788 /nfs/dbraw/zinc/33/87/88/1047338788.db2.gz SSBMQVVPNRFSRV-UHFFFAOYSA-N 1 0 307.441 4.191 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652195977 1047346695 /nfs/dbraw/zinc/34/66/95/1047346695.db2.gz BREXQJVJBGSXND-AABGKKOBSA-N 1 0 314.473 4.274 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccco1 ZINC000652279896 1047352111 /nfs/dbraw/zinc/35/21/11/1047352111.db2.gz QSFIZQRGNBEMSO-LMMKCTJWSA-N 1 0 312.413 4.192 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc2cccnc12 ZINC000612185638 1047367977 /nfs/dbraw/zinc/36/79/77/1047367977.db2.gz QFVPZERVHMVTBC-HNNXBMFYSA-N 1 0 301.393 4.266 20 30 DIEDRO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)C(CC)CC)nn1 ZINC000653600512 1047406284 /nfs/dbraw/zinc/40/62/84/1047406284.db2.gz DWHWOQDUFVWPTN-IBGZPJMESA-N 1 0 312.461 4.121 20 30 DIEDRO C=CCCn1cc(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)nn1 ZINC000653661474 1047414515 /nfs/dbraw/zinc/41/45/15/1047414515.db2.gz SVOCQOMWGZIOCY-IBGZPJMESA-N 1 0 324.472 4.048 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc(C2CCC2)s1 ZINC000618743133 1047415646 /nfs/dbraw/zinc/41/56/46/1047415646.db2.gz XLYXHYNKWNOTCZ-QGZVFWFLSA-N 1 0 309.438 4.059 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1C[C@H]1c1cccs1 ZINC000841747817 1047449935 /nfs/dbraw/zinc/44/99/35/1047449935.db2.gz DUPDPEBNIOJVCL-BYCMXARLSA-N 1 0 300.402 4.041 20 30 DIEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000841899539 1047461182 /nfs/dbraw/zinc/46/11/82/1047461182.db2.gz WHSVITJDFWWSFA-ZDUSSCGKSA-N 1 0 312.335 4.146 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000841894076 1047461923 /nfs/dbraw/zinc/46/19/23/1047461923.db2.gz MNEZEYVERUXMOX-KRWDZBQOSA-N 1 0 312.800 4.084 20 30 DIEDRO C=CCCC[N@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC001168331635 1047468971 /nfs/dbraw/zinc/46/89/71/1047468971.db2.gz MOTIFZQTOVMZRG-JOCHJYFZSA-N 1 0 321.464 4.289 20 30 DIEDRO C=CCN(Cc1cccs1)Cc1ncccc1C(F)(F)F ZINC000119928632 1047473351 /nfs/dbraw/zinc/47/33/51/1047473351.db2.gz NDRJQSFNHSFNOQ-UHFFFAOYSA-N 1 0 312.360 4.350 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](Cc2c[nH]nc2C)C(C)(C)C)cc1 ZINC000120075705 1047482540 /nfs/dbraw/zinc/48/25/40/1047482540.db2.gz KAVJRYRZFVLWNX-UHFFFAOYSA-N 1 0 313.445 4.084 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC2=CCCOC2)C(C)(C)C)cc1 ZINC000120075381 1047482582 /nfs/dbraw/zinc/48/25/82/1047482582.db2.gz JACDIYDHPHBINE-UHFFFAOYSA-N 1 0 315.457 4.199 20 30 DIEDRO C=CC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000537627167 1047487402 /nfs/dbraw/zinc/48/74/02/1047487402.db2.gz MEGCWUZFFZVPEI-UHFFFAOYSA-N 1 0 301.821 4.128 20 30 DIEDRO C=CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)CC1CCCCC1 ZINC000537628739 1047495116 /nfs/dbraw/zinc/49/51/16/1047495116.db2.gz WMAGYQRRGHBZTO-UHFFFAOYSA-N 1 0 315.383 4.014 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC(F)F)c(OC(F)F)c1 ZINC001142821954 1047499240 /nfs/dbraw/zinc/49/92/40/1047499240.db2.gz CAMAJWGJYMWBDO-UHFFFAOYSA-N 1 0 321.314 4.287 20 30 DIEDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665710 1047507338 /nfs/dbraw/zinc/50/73/38/1047507338.db2.gz YMLQWLKJCABYBN-UZLBHIALSA-N 1 0 308.425 4.261 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(N(C)C)cc1 ZINC000842886241 1047511345 /nfs/dbraw/zinc/51/13/45/1047511345.db2.gz UWPHCSVUUNGLRJ-FQEVSTJZSA-N 1 0 307.441 4.060 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000842917070 1047513238 /nfs/dbraw/zinc/51/32/38/1047513238.db2.gz MPSGZWNIGUELCT-BHIYHBOVSA-N 1 0 302.462 4.416 20 30 DIEDRO N#Cc1ccc2c(C[NH+]3CCC(c4ccccc4)CC3)c[nH]c2c1 ZINC001142916599 1047513888 /nfs/dbraw/zinc/51/38/88/1047513888.db2.gz WHGUTAVQVIFKKI-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2c[nH]c3cc(C#N)ccc23)cc1 ZINC001142922549 1047514442 /nfs/dbraw/zinc/51/44/42/1047514442.db2.gz LZPYTCTXJCHAOT-CQSZACIVSA-N 1 0 319.408 4.241 20 30 DIEDRO N#Cc1ccc2c(C[N@H+]3CCCC4(CC(F)C4)CC3)c[nH]c2c1 ZINC001142922520 1047514788 /nfs/dbraw/zinc/51/47/88/1047514788.db2.gz LBVPSZRYXRLPGO-UHFFFAOYSA-N 1 0 311.404 4.144 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000537633628 1047514859 /nfs/dbraw/zinc/51/48/59/1047514859.db2.gz NHOMSIYCEUPBBY-SJCJKPOMSA-N 1 0 300.402 4.342 20 30 DIEDRO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1Cl ZINC001142928686 1047516591 /nfs/dbraw/zinc/51/65/91/1047516591.db2.gz HKNKICLLAOKXFP-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO CS[C@@H]1CCCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092064079 1047526636 /nfs/dbraw/zinc/52/66/36/1047526636.db2.gz BWDYZPSQHDCYLK-GOSISDBHSA-N 1 0 318.486 4.087 20 30 DIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(C)(C)CCC#N ZINC000092101218 1047527949 /nfs/dbraw/zinc/52/79/49/1047527949.db2.gz XWRSGDWSVBUFCW-UHFFFAOYSA-N 1 0 324.472 4.271 20 30 DIEDRO COc1ccc(C[N@H+](C(C)C)C2CCC2)cc1OCCCC#N ZINC000093608407 1047549863 /nfs/dbraw/zinc/54/98/63/1047549863.db2.gz OKVPTESXQIXWAN-UHFFFAOYSA-N 1 0 316.445 4.141 20 30 DIEDRO C=CCCC1(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000476672091 1047563263 /nfs/dbraw/zinc/56/32/63/1047563263.db2.gz VIKPPYFYCOTBER-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO COc1ccc2oc(C[NH2+][C@H](C)c3ccc(C#N)cc3)cc2c1 ZINC000123065930 1047571269 /nfs/dbraw/zinc/57/12/69/1047571269.db2.gz RGGLIOGCKBBFAS-CYBMUJFWSA-N 1 0 306.365 4.164 20 30 DIEDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000926899103 1047571948 /nfs/dbraw/zinc/57/19/48/1047571948.db2.gz USLVEXDBQIFTKG-GJZGRUSLSA-N 1 0 312.388 4.448 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000237493583 1047589840 /nfs/dbraw/zinc/58/98/40/1047589840.db2.gz GKNXYEKTXJXXNL-AWEZNQCLSA-N 1 0 306.365 4.013 20 30 DIEDRO N#Cc1cc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)cs1 ZINC001648999093 1047611788 /nfs/dbraw/zinc/61/17/88/1047611788.db2.gz LCUFUHQNCCJEGU-UHFFFAOYSA-N 1 0 321.405 4.097 20 30 DIEDRO CC(C)C[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977375 1047649047 /nfs/dbraw/zinc/64/90/47/1047649047.db2.gz GKJSEAGBCREGDT-FAEJEUNOSA-N 1 0 300.446 4.272 20 30 DIEDRO C=CCC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000537987635 1047650515 /nfs/dbraw/zinc/65/05/15/1047650515.db2.gz OJEITMATRJKULW-KRWDZBQOSA-N 1 0 307.359 4.391 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2c(Cl)cccc2C#N)C1 ZINC000538088309 1047657261 /nfs/dbraw/zinc/65/72/61/1047657261.db2.gz MTGZPPFQYVOCHC-LZWOXQAQSA-N 1 0 317.864 4.053 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000538226137 1047663827 /nfs/dbraw/zinc/66/38/27/1047663827.db2.gz NFIIIINOAHZSLS-HZPDHXFCSA-N 1 0 315.379 4.319 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NCC2(C#N)CCC2)nc1 ZINC001154997079 1047664492 /nfs/dbraw/zinc/66/44/92/1047664492.db2.gz YUCLRACWLZZMMC-QGZVFWFLSA-N 1 0 312.461 4.124 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(C#N)cc1 ZINC000538393657 1047673747 /nfs/dbraw/zinc/67/37/47/1047673747.db2.gz CTWBBDULKLDITF-AUUYWEPGSA-N 1 0 308.450 4.239 20 30 DIEDRO C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(C#N)cc1 ZINC000538396023 1047673995 /nfs/dbraw/zinc/67/39/95/1047673995.db2.gz WJPAJLAMLBXQFN-ZDUSSCGKSA-N 1 0 307.372 4.072 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000538394048 1047674303 /nfs/dbraw/zinc/67/43/03/1047674303.db2.gz MHBKDJUOSBIWCC-OLZOCXBDSA-N 1 0 300.352 4.291 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000538407666 1047675842 /nfs/dbraw/zinc/67/58/42/1047675842.db2.gz IZBGYLRUWNLSBI-KGLIPLIRSA-N 1 0 316.424 4.110 20 30 DIEDRO C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(C)(C)C#N ZINC000538465311 1047680417 /nfs/dbraw/zinc/68/04/17/1047680417.db2.gz SZXTZYQXMWMQHX-XJKSGUPXSA-N 1 0 306.837 4.042 20 30 DIEDRO Cc1cccc(C[N@H+](CCC(C)(C)C#N)Cc2ccccn2)c1 ZINC000538465478 1047680532 /nfs/dbraw/zinc/68/05/32/1047680532.db2.gz AZOMTRMRUCRCHU-UHFFFAOYSA-N 1 0 307.441 4.332 20 30 DIEDRO CSc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538508284 1047683975 /nfs/dbraw/zinc/68/39/75/1047683975.db2.gz GSHFRGXRJPMQKZ-NSHDSACASA-N 1 0 318.392 4.409 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000538508895 1047684443 /nfs/dbraw/zinc/68/44/43/1047684443.db2.gz KNNQGVNGAPZEEW-CYBMUJFWSA-N 1 0 314.379 4.465 20 30 DIEDRO CCCCOc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1OC ZINC000538513210 1047684808 /nfs/dbraw/zinc/68/48/08/1047684808.db2.gz ZJBJNTWQZHNJST-OAHLLOKOSA-N 1 0 318.461 4.465 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CCC(C)(C)C#N)ccc1OCC(C)C ZINC000538514737 1047685065 /nfs/dbraw/zinc/68/50/65/1047685065.db2.gz PQYFITIBUHMWQH-HNNXBMFYSA-N 1 0 318.461 4.320 20 30 DIEDRO N#Cc1cnc2cc[nH]c(NC(=[NH2+])C34CC5CC(CC(C5)C3)C4)c1-2 ZINC001155962638 1047693768 /nfs/dbraw/zinc/69/37/68/1047693768.db2.gz XIPMVCZBZYAXNP-UHFFFAOYSA-N 1 0 319.412 4.040 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000538725627 1047706306 /nfs/dbraw/zinc/70/63/06/1047706306.db2.gz MFIOXQMWQGDRCM-FQEVSTJZSA-N 1 0 308.425 4.292 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 ZINC000539086157 1047733145 /nfs/dbraw/zinc/73/31/45/1047733145.db2.gz GXPKABAGAYEDAJ-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@H]2CC[C@H](C#N)CC2)nc1 ZINC001157055363 1047733675 /nfs/dbraw/zinc/73/36/75/1047733675.db2.gz UPZCTKNBCWWRNJ-KBAYOESNSA-N 1 0 312.461 4.123 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000539118392 1047737511 /nfs/dbraw/zinc/73/75/11/1047737511.db2.gz CJJNUFYKLXHJKF-HNNXBMFYSA-N 1 0 315.392 4.021 20 30 DIEDRO C=CC[NH2+][C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000539275641 1047744101 /nfs/dbraw/zinc/74/41/01/1047744101.db2.gz HVVBGXLCYNSLSN-SFHVURJKSA-N 1 0 311.425 4.072 20 30 DIEDRO Cc1[nH+]c(N2CCC(C#Cc3ccccc3)CC2)cc2[nH]ccc21 ZINC001157528119 1047745347 /nfs/dbraw/zinc/74/53/47/1047745347.db2.gz IVEQEXXHFQIZNS-UHFFFAOYSA-N 1 0 315.420 4.139 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000477853368 1047755857 /nfs/dbraw/zinc/75/58/57/1047755857.db2.gz FZRILEJORKAEIO-PBHICJAKSA-N 1 0 316.420 4.230 20 30 DIEDRO CC[N@@H+](CCC#N)CC/C=C/c1ccc(Br)cc1 ZINC000478051998 1047767090 /nfs/dbraw/zinc/76/70/90/1047767090.db2.gz DNXIUAUMRSUZSO-ZZXKWVIFSA-N 1 0 307.235 4.088 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(OCC#N)cc1 ZINC000927038486 1047768446 /nfs/dbraw/zinc/76/84/46/1047768446.db2.gz PRBISKGCFOJKOT-ZBFHGGJFSA-N 1 0 316.470 4.058 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000927041522 1047772036 /nfs/dbraw/zinc/77/20/36/1047772036.db2.gz ZKUQDCVIKABWMC-DLBZAZTESA-N 1 0 300.471 4.417 20 30 DIEDRO CC1(C)C[C@@H](Nc2cc(C#N)c3ccccc3n2)C[C@@](C)(C[NH3+])C1 ZINC001158266054 1047772436 /nfs/dbraw/zinc/77/24/36/1047772436.db2.gz ROPMEZLEKALAQO-FOIQADDNSA-N 1 0 322.456 4.062 20 30 DIEDRO CC1(C)C[C@H](Nc2cc(C#N)c3ccccc3n2)C[C@](C)(C[NH3+])C1 ZINC001158266059 1047772489 /nfs/dbraw/zinc/77/24/89/1047772489.db2.gz ROPMEZLEKALAQO-YWZLYKJASA-N 1 0 322.456 4.062 20 30 DIEDRO CC(C)([NH2+]C12CCC(C#N)(CC1)CC2)c1ccnc(Cl)c1 ZINC001158793401 1047798913 /nfs/dbraw/zinc/79/89/13/1047798913.db2.gz NNNYDOBMRITOEN-UHFFFAOYSA-N 1 0 303.837 4.176 20 30 DIEDRO N#Cc1c2c(sc1Nc1cccc3ccccc31)C[NH2+]CC2 ZINC001159154463 1047817329 /nfs/dbraw/zinc/81/73/29/1047817329.db2.gz VAUFTEONLBIJFQ-UHFFFAOYSA-N 1 0 305.406 4.162 20 30 DIEDRO Cc1ccc(Nc2sc3c(c2C#N)CC[NH2+]C3)c(C)c1Cl ZINC001159157198 1047817504 /nfs/dbraw/zinc/81/75/04/1047817504.db2.gz CRJHXLCGJNJOKN-UHFFFAOYSA-N 1 0 317.845 4.279 20 30 DIEDRO CC(C)(C)c1noc(Nc2ccc(C3CC[NH2+]CC3)cc2)c1C#N ZINC001159241419 1047823609 /nfs/dbraw/zinc/82/36/09/1047823609.db2.gz XMKWBPJCMKISII-UHFFFAOYSA-N 1 0 324.428 4.054 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2cc(C#N)ccc2F)C1 ZINC001159387693 1047838758 /nfs/dbraw/zinc/83/87/58/1047838758.db2.gz UBWOGQBUHLCUMR-AEGPPILISA-N 1 0 324.403 4.067 20 30 DIEDRO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(C#N)cc2F)C1 ZINC001159388381 1047839029 /nfs/dbraw/zinc/83/90/29/1047839029.db2.gz IDRIBFUHIMOSAE-QEJZJMRPSA-N 1 0 324.403 4.067 20 30 DIEDRO Cc1ccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)c(C#N)c1 ZINC001159391069 1047839179 /nfs/dbraw/zinc/83/91/79/1047839179.db2.gz PWTCTTMJFSEXIF-BFYDXBDKSA-N 1 0 320.440 4.236 20 30 DIEDRO N#Cc1cc(Nc2ccc(C(F)(F)F)cc2)cc(C2C[NH2+]C2)c1 ZINC001159431671 1047844706 /nfs/dbraw/zinc/84/47/06/1047844706.db2.gz XTHJYZHAVKNMDK-UHFFFAOYSA-N 1 0 317.314 4.007 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001197622499 1047849443 /nfs/dbraw/zinc/84/94/43/1047849443.db2.gz XYJOGUBDAFPMSK-DLBZAZTESA-N 1 0 307.478 4.033 20 30 DIEDRO CC(C)Oc1ccc2ccccc2c1CN1CCC[C@H](C#N)C1 ZINC001197621796 1047850991 /nfs/dbraw/zinc/85/09/91/1047850991.db2.gz KMTUAZDETTVNIV-MRXNPFEDSA-N 1 0 308.425 4.363 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1cc(Cl)ccc1OCC#N)C(C)(C)C ZINC001197604149 1047853868 /nfs/dbraw/zinc/85/38/68/1047853868.db2.gz ZZGYIUWLKJLKDN-ZDUSSCGKSA-N 1 0 308.853 4.356 20 30 DIEDRO Cc1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c(C)cc1Cl ZINC001159515888 1047858398 /nfs/dbraw/zinc/85/83/98/1047858398.db2.gz KCEUXQLWMGGFJK-UHFFFAOYSA-N 1 0 311.816 4.259 20 30 DIEDRO CC(C)C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC001182990398 1047872894 /nfs/dbraw/zinc/87/28/94/1047872894.db2.gz PUSHNLFVHZIAPN-HOTGVXAUSA-N 1 0 324.509 4.298 20 30 DIEDRO Cc1nc([C@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)[nH]c1C ZINC001197712154 1047873058 /nfs/dbraw/zinc/87/30/58/1047873058.db2.gz YJCITZHDIBRDDY-MRXNPFEDSA-N 1 0 300.450 4.028 20 30 DIEDRO CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)CC(=O)OC(C)(C)C ZINC001182989753 1047873671 /nfs/dbraw/zinc/87/36/71/1047873671.db2.gz KJPNBBWZBYMGGK-ULQDDVLXSA-N 1 0 322.493 4.052 20 30 DIEDRO CC(C)(C)c1cccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001159585123 1047873543 /nfs/dbraw/zinc/87/35/43/1047873543.db2.gz QKKPHUJCCCSYJD-UHFFFAOYSA-N 1 0 305.425 4.286 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1sc(N2CCCC2)nc1Cl ZINC001183045227 1047879497 /nfs/dbraw/zinc/87/94/97/1047879497.db2.gz GPYZZIFZHUEIHU-UHFFFAOYSA-N 1 0 313.898 4.231 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC001183065978 1047886955 /nfs/dbraw/zinc/88/69/55/1047886955.db2.gz UGRTYKDCVVQGFL-LBPRGKRZSA-N 1 0 318.214 4.041 20 30 DIEDRO Cc1ccc([C@H](C)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC001183180521 1047900999 /nfs/dbraw/zinc/90/09/99/1047900999.db2.gz ORFOLDZOBASJLL-QGZVFWFLSA-N 1 0 304.437 4.223 20 30 DIEDRO N#CCc1cccc2c1CC[N@H+](Cc1ccc3occc3c1)C2 ZINC001183180913 1047901752 /nfs/dbraw/zinc/90/17/52/1047901752.db2.gz SABZMNRLWFXONB-UHFFFAOYSA-N 1 0 302.377 4.057 20 30 DIEDRO N#CC1(c2ccc(Nc3ccc4c(c3)C[NH2+]C4)cc2)CCCC1 ZINC001159706416 1047905406 /nfs/dbraw/zinc/90/54/06/1047905406.db2.gz FOJOVLJVUWLMDW-UHFFFAOYSA-N 1 0 303.409 4.369 20 30 DIEDRO CCc1cccc(CC)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159703327 1047905421 /nfs/dbraw/zinc/90/54/21/1047905421.db2.gz GGFRDUBQTUERTI-UHFFFAOYSA-N 1 0 305.425 4.113 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)COCC1CCCCC1 ZINC001198001213 1047911541 /nfs/dbraw/zinc/91/15/41/1047911541.db2.gz OJWBSYLIAFXLNQ-KRWDZBQOSA-N 1 0 314.473 4.250 20 30 DIEDRO N#Cc1cc(Cl)cc(Nc2cccc(C3CC[NH2+]CC3)c2)c1 ZINC001159757158 1047915475 /nfs/dbraw/zinc/91/54/75/1047915475.db2.gz KYCHBQKINHFYTN-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000774616798 1047916445 /nfs/dbraw/zinc/91/64/45/1047916445.db2.gz WPRDIJXCQGAUDO-CVEARBPZSA-N 1 0 324.509 4.356 20 30 DIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(Nc3cc(F)cc(C#N)c3)CC2)C1 ZINC001183323983 1047917114 /nfs/dbraw/zinc/91/71/14/1047917114.db2.gz IXZMHNKCPONGOY-LIRRHRJNSA-N 1 0 315.436 4.152 20 30 DIEDRO CCc1cc(Nc2cccc(C3CC[NH2+]CC3)c2)ccc1C#N ZINC001159765187 1047917843 /nfs/dbraw/zinc/91/78/43/1047917843.db2.gz UMWKQDONFCKFKQ-UHFFFAOYSA-N 1 0 305.425 4.331 20 30 DIEDRO C=CC[N@@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001174642091 1047918594 /nfs/dbraw/zinc/91/85/94/1047918594.db2.gz PYJLFQTYXWXPPH-MRXNPFEDSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CC[N@H+](C[C@@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC001174641533 1047919183 /nfs/dbraw/zinc/91/91/83/1047919183.db2.gz KSEMIQDSMHPLAQ-CQSZACIVSA-N 1 0 301.352 4.025 20 30 DIEDRO CCCC[N@H+](Cc1c(C)oc(C)c1C)Cc1cc(C#N)ccn1 ZINC001198020273 1047920250 /nfs/dbraw/zinc/92/02/50/1047920250.db2.gz NIDJDFKNXKVBBL-UHFFFAOYSA-N 1 0 311.429 4.274 20 30 DIEDRO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC001174615230 1047927053 /nfs/dbraw/zinc/92/70/53/1047927053.db2.gz RDRCUMPZELGVEI-KRWDZBQOSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001183442758 1047927458 /nfs/dbraw/zinc/92/74/58/1047927458.db2.gz FZAZGSHMANWPQY-UXHICEINSA-N 1 0 300.490 4.294 20 30 DIEDRO C#CC[N@@H+](CCc1ccccc1F)[C@H]1CCCc2ccccc21 ZINC001198102824 1047927948 /nfs/dbraw/zinc/92/79/48/1047927948.db2.gz AWONNGDPECBMDY-NRFANRHFSA-N 1 0 307.412 4.381 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1ccc2c(c1)CCCC2 ZINC001183428576 1047928084 /nfs/dbraw/zinc/92/80/84/1047928084.db2.gz JNBDBRBXDJBRDF-UHFFFAOYSA-N 1 0 304.437 4.112 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC001183474222 1047932008 /nfs/dbraw/zinc/93/20/08/1047932008.db2.gz ZNSIKUPOJDWKEC-PHKINGBFSA-N 1 0 306.247 4.032 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC001198210704 1047933602 /nfs/dbraw/zinc/93/36/02/1047933602.db2.gz KQZMETGUUSBEBC-KRWDZBQOSA-N 1 0 307.482 4.383 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001198195225 1047935662 /nfs/dbraw/zinc/93/56/62/1047935662.db2.gz UZSLSZFPLWURKG-INIZCTEOSA-N 1 0 322.493 4.112 20 30 DIEDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001198289701 1047941584 /nfs/dbraw/zinc/94/15/84/1047941584.db2.gz RSXGTSIRBFOTMT-LJQANCHMSA-N 1 0 307.412 4.445 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001198271944 1047943292 /nfs/dbraw/zinc/94/32/92/1047943292.db2.gz YVSKSYYGYIUNRS-INIZCTEOSA-N 1 0 308.263 4.422 20 30 DIEDRO C=CCCCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000479643756 1047948792 /nfs/dbraw/zinc/94/87/92/1047948792.db2.gz TYWQSYNUIQCWPL-QGZVFWFLSA-N 1 0 314.473 4.123 20 30 DIEDRO C=CCC[C@@H]1CCC[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC001198414694 1047953428 /nfs/dbraw/zinc/95/34/28/1047953428.db2.gz ZPTLGDWUYUOJBL-QGZVFWFLSA-N 1 0 321.468 4.292 20 30 DIEDRO C=CCC[C@@H]1CCC[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC001198414521 1047953895 /nfs/dbraw/zinc/95/38/95/1047953895.db2.gz VFQYOEWVMALXOY-CYBMUJFWSA-N 1 0 323.396 4.012 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001183673347 1047955573 /nfs/dbraw/zinc/95/55/73/1047955573.db2.gz QIANJVAPYVBBEA-OAHLLOKOSA-N 1 0 304.434 4.498 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]2CCC[C@@H]21 ZINC001198452283 1047957781 /nfs/dbraw/zinc/95/77/81/1047957781.db2.gz YNGXGRXGLWZLGX-LSDHHAIUSA-N 1 0 320.383 4.170 20 30 DIEDRO C=CCCC[N@@H+](CC)CCOc1ccccc1Br ZINC001198457650 1047959330 /nfs/dbraw/zinc/95/93/30/1047959330.db2.gz GVFZSSIYXNTXKZ-UHFFFAOYSA-N 1 0 312.251 4.116 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000924726467 1047962102 /nfs/dbraw/zinc/96/21/02/1047962102.db2.gz NDVFHDALVLZIGW-LBPRGKRZSA-N 1 0 314.351 4.046 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001174771159 1047965210 /nfs/dbraw/zinc/96/52/10/1047965210.db2.gz NPIWMBWBFQYPJZ-RYGJVYDSSA-N 1 0 320.436 4.350 20 30 DIEDRO Cc1cc(Nc2ccc(CC3CC[NH2+]CC3)cc2)ccc1C#N ZINC001160014947 1047970448 /nfs/dbraw/zinc/97/04/48/1047970448.db2.gz PCVKLJBVYWWDNZ-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO N#CC1(c2cccc(Nc3ccccc3C3=CC[NH2+]CC3)c2)CC1 ZINC001160022743 1047971095 /nfs/dbraw/zinc/97/10/95/1047971095.db2.gz ALVPXVZNMSLBNM-UHFFFAOYSA-N 1 0 315.420 4.362 20 30 DIEDRO CCCCC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC001174781277 1047971884 /nfs/dbraw/zinc/97/18/84/1047971884.db2.gz WDLIMCBYNHMMCR-MOPGFXCFSA-N 1 0 300.446 4.026 20 30 DIEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000553992994 1047979546 /nfs/dbraw/zinc/97/95/46/1047979546.db2.gz WKVHBTPYHXGQKJ-SJORKVTESA-N 1 0 306.494 4.234 20 30 DIEDRO CN(C)c1ccc(C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000775880622 1047982844 /nfs/dbraw/zinc/98/28/44/1047982844.db2.gz KIXZWJSJGAKAER-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO C=CCCCCC[N@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001198611786 1047985032 /nfs/dbraw/zinc/98/50/32/1047985032.db2.gz FYFKZNRRZUTIHY-UHFFFAOYSA-N 1 0 322.493 4.255 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC001183959292 1047986803 /nfs/dbraw/zinc/98/68/03/1047986803.db2.gz QBCHATOADQWONY-XJKSGUPXSA-N 1 0 315.379 4.463 20 30 DIEDRO C=C(C)N(c1ccccc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC001174794625 1047988944 /nfs/dbraw/zinc/98/89/44/1047988944.db2.gz HDUKUXZREPNLMK-UHFFFAOYSA-N 1 0 321.468 4.273 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC001184023867 1047990105 /nfs/dbraw/zinc/99/01/05/1047990105.db2.gz SCWQTMMZMMXVPB-QZTJIDSGSA-N 1 0 305.425 4.159 20 30 DIEDRO C=CCCC[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000774714127 1047998185 /nfs/dbraw/zinc/99/81/85/1047998185.db2.gz PWEFWEQMWQWBIW-ULQDDVLXSA-N 1 0 324.509 4.356 20 30 DIEDRO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001174871728 1048009452 /nfs/dbraw/zinc/00/94/52/1048009452.db2.gz HMXRHQFNFQAPFA-HXUWFJFHSA-N 1 0 323.415 4.423 20 30 DIEDRO Cc1cc(C#N)cc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)c1 ZINC001160265088 1048015731 /nfs/dbraw/zinc/01/57/31/1048015731.db2.gz IPPJGUUGDUFETL-QGZVFWFLSA-N 1 0 305.425 4.152 20 30 DIEDRO CCCC#CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001184273271 1048016002 /nfs/dbraw/zinc/01/60/02/1048016002.db2.gz MQZQLXHCWXEUKE-UHFFFAOYSA-N 1 0 312.457 4.193 20 30 DIEDRO Cc1cc(C#N)ccc1Nc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC001160265047 1048015921 /nfs/dbraw/zinc/01/59/21/1048015921.db2.gz HVRJVOOYLQSKBA-GOSISDBHSA-N 1 0 305.425 4.152 20 30 DIEDRO Cc1cc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)ccc1C#N ZINC001160265681 1048016036 /nfs/dbraw/zinc/01/60/36/1048016036.db2.gz QQWYXEUUZHKEMT-QGZVFWFLSA-N 1 0 305.425 4.152 20 30 DIEDRO Cc1ccc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)cc1C#N ZINC001160265038 1048016718 /nfs/dbraw/zinc/01/67/18/1048016718.db2.gz HTQOTZXFVBNJOE-QGZVFWFLSA-N 1 0 305.425 4.152 20 30 DIEDRO CCCCCCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001199021540 1048024083 /nfs/dbraw/zinc/02/40/83/1048024083.db2.gz KOYNOBGUNIAWJV-UHFFFAOYSA-N 1 0 321.465 4.489 20 30 DIEDRO C=CC[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 ZINC001199052475 1048029580 /nfs/dbraw/zinc/02/95/80/1048029580.db2.gz HIIOZXIHZRJBIM-UHFFFAOYSA-N 1 0 321.399 4.262 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC001199076901 1048034397 /nfs/dbraw/zinc/03/43/97/1048034397.db2.gz AQHJKIZQDKJPDN-GHMZBOCLSA-N 1 0 300.265 4.345 20 30 DIEDRO C[N@H+](Cc1ccc(Br)cc1C#N)C1(C)CCCC1 ZINC000554263103 1048048125 /nfs/dbraw/zinc/04/81/25/1048048125.db2.gz FJVJJOHAEKOMJQ-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO CCCCC[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000776022507 1048097279 /nfs/dbraw/zinc/09/72/79/1048097279.db2.gz DLLWHZQKXVONKE-QZTJIDSGSA-N 1 0 302.462 4.176 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000776020313 1048098961 /nfs/dbraw/zinc/09/89/61/1048098961.db2.gz UAFDUIBIDJTZHV-UHFFFAOYSA-N 1 0 306.409 4.080 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)C(C)C ZINC000480271257 1048108768 /nfs/dbraw/zinc/10/87/68/1048108768.db2.gz YSBYDAPHYBLRPX-YJBOKZPZSA-N 1 0 321.896 4.084 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)C1CCC([NH2+]C)CC1 ZINC001161221626 1048115464 /nfs/dbraw/zinc/11/54/64/1048115464.db2.gz TYLAHOHTEAVBIJ-UHFFFAOYSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)c1ccccc1C[NH3+] ZINC001161225972 1048115810 /nfs/dbraw/zinc/11/58/10/1048115810.db2.gz ALJQRGRBYKXUAF-UHFFFAOYSA-N 1 0 304.478 4.358 20 30 DIEDRO CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000554552114 1048125185 /nfs/dbraw/zinc/12/51/85/1048125185.db2.gz ASBIXHBGNKIDBX-CYBMUJFWSA-N 1 0 323.362 4.016 20 30 DIEDRO Cc1ccccc1C1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC001199981116 1048131259 /nfs/dbraw/zinc/13/12/59/1048131259.db2.gz OMZJPNULPZOSBT-UHFFFAOYSA-N 1 0 316.448 4.372 20 30 DIEDRO CCCCCCC[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001175079376 1048133140 /nfs/dbraw/zinc/13/31/40/1048133140.db2.gz KHQDBMCWUAHUAA-UHFFFAOYSA-N 1 0 313.489 4.256 20 30 DIEDRO CCC1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC001200863463 1048149351 /nfs/dbraw/zinc/14/93/51/1048149351.db2.gz BMPRRKVMTMJCOT-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000554743466 1048172438 /nfs/dbraw/zinc/17/24/38/1048172438.db2.gz XVRRFSTVHQRUBY-HXUWFJFHSA-N 1 0 308.425 4.344 20 30 DIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000480527311 1048172967 /nfs/dbraw/zinc/17/29/67/1048172967.db2.gz OUKIDOYWVFGYAL-HZPDHXFCSA-N 1 0 308.878 4.318 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(Cc3ccccc3)CCC2)c(F)c1 ZINC001201178435 1048208783 /nfs/dbraw/zinc/20/87/83/1048208783.db2.gz BUVASVMNTDWVOI-UHFFFAOYSA-N 1 0 308.400 4.200 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)C1CC1 ZINC000480688744 1048217649 /nfs/dbraw/zinc/21/76/49/1048217649.db2.gz JJLWWLLRQYNVKI-AWEZNQCLSA-N 1 0 303.837 4.061 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480686026 1048222900 /nfs/dbraw/zinc/22/29/00/1048222900.db2.gz YJORSFMHQYRVKZ-OALUTQOASA-N 1 0 315.436 4.373 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000776157427 1048241748 /nfs/dbraw/zinc/24/17/48/1048241748.db2.gz BLXLFOBQIRESPP-JKSUJKDBSA-N 1 0 300.446 4.456 20 30 DIEDRO N#Cc1ccc(F)cc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001162221281 1048244464 /nfs/dbraw/zinc/24/44/64/1048244464.db2.gz NIUULFZCSPSUJH-UHFFFAOYSA-N 1 0 323.415 4.469 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000554981382 1048247269 /nfs/dbraw/zinc/24/72/69/1048247269.db2.gz CBVVTZYVUCXJKZ-XIKOKIGWSA-N 1 0 310.372 4.044 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2cccc(C(F)(F)F)c2C#N)c1 ZINC001201399236 1048249127 /nfs/dbraw/zinc/24/91/27/1048249127.db2.gz BAXIXKWARPOLAD-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776163488 1048251940 /nfs/dbraw/zinc/25/19/40/1048251940.db2.gz CAFYEZFHABJKRZ-AUSJPIAWSA-N 1 0 306.409 4.173 20 30 DIEDRO CC(C)[Si](C#C[NH2+]C[C@@H](O)c1ccco1)(C(C)C)C(C)C ZINC001162258294 1048252940 /nfs/dbraw/zinc/25/29/40/1048252940.db2.gz OADRBXXYRMWHNF-MRXNPFEDSA-N 1 0 307.510 4.082 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC001201407067 1048253000 /nfs/dbraw/zinc/25/30/00/1048253000.db2.gz JBUWIWXJKLOJJS-MRXNPFEDSA-N 1 0 311.425 4.328 20 30 DIEDRO Cc1cccc(OCCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776164825 1048253057 /nfs/dbraw/zinc/25/30/57/1048253057.db2.gz UYXOSQFTYDYFTO-KRWDZBQOSA-N 1 0 324.424 4.017 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2sc3c(c2C#N)CCCC3)c1 ZINC001201389946 1048257573 /nfs/dbraw/zinc/25/75/73/1048257573.db2.gz NZOXXRVBIJVBQP-UHFFFAOYSA-N 1 0 311.454 4.304 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001186070252 1048259077 /nfs/dbraw/zinc/25/90/77/1048259077.db2.gz NSTRACFOINBILD-LSDHHAIUSA-N 1 0 315.436 4.071 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000776165308 1048261283 /nfs/dbraw/zinc/26/12/83/1048261283.db2.gz ZUFOEWFSZNSNCO-MGPUTAFESA-N 1 0 322.452 4.240 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000776165809 1048262412 /nfs/dbraw/zinc/26/24/12/1048262412.db2.gz WYFGOOFFYKNZJJ-HNAYVOBHSA-N 1 0 319.408 4.090 20 30 DIEDRO CC(C)(C)C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001201442445 1048275564 /nfs/dbraw/zinc/27/55/64/1048275564.db2.gz BMZUJHKPTBDDJV-UHFFFAOYSA-N 1 0 306.837 4.101 20 30 DIEDRO CC[C@H]([NH2+]CCOc1cccc(C#N)c1)c1cc(C)ccc1C ZINC001175361582 1048276768 /nfs/dbraw/zinc/27/67/68/1048276768.db2.gz IJTPBRULNLHMLE-FQEVSTJZSA-N 1 0 308.425 4.295 20 30 DIEDRO COc1cc(Nc2ccc(C[NH+]3CCCCC3)cc2)ccc1C#N ZINC001175364183 1048279912 /nfs/dbraw/zinc/27/99/12/1048279912.db2.gz WOTQOTKKBMWRMJ-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001186316247 1048285434 /nfs/dbraw/zinc/28/54/34/1048285434.db2.gz QODCPRVLZOUQLR-IFXJQAMLSA-N 1 0 311.404 4.109 20 30 DIEDRO CC(C)(C)[PH+](CCCNc1nccnc1C#N)C(C)(C)C ZINC001162473512 1048286210 /nfs/dbraw/zinc/28/62/10/1048286210.db2.gz LPRZUQVOOIJLBF-UHFFFAOYSA-N 1 0 306.394 4.229 20 30 DIEDRO CC(C)(C)[PH+](CCCNc1cncc(C#N)n1)C(C)(C)C ZINC001162473202 1048286731 /nfs/dbraw/zinc/28/67/31/1048286731.db2.gz CKDNRVQNSJAOPK-UHFFFAOYSA-N 1 0 306.394 4.229 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)cc1 ZINC001201512533 1048294554 /nfs/dbraw/zinc/29/45/54/1048294554.db2.gz QUJLVIYVJUOBQK-OAQYLSRUSA-N 1 0 323.411 4.387 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)cc1 ZINC001201512526 1048295070 /nfs/dbraw/zinc/29/50/70/1048295070.db2.gz QUJLVIYVJUOBQK-NRFANRHFSA-N 1 0 323.411 4.387 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N[C@@](C)(C#N)CC(C)C)nc1 ZINC001162520296 1048295730 /nfs/dbraw/zinc/29/57/30/1048295730.db2.gz WMWGNZYNOJAYLP-PKOBYXMFSA-N 1 0 314.477 4.369 20 30 DIEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2cc(F)ccc2C#N)CC1 ZINC001186451596 1048301016 /nfs/dbraw/zinc/30/10/16/1048301016.db2.gz JBPRONGEALJPSS-UHFFFAOYSA-N 1 0 317.452 4.034 20 30 DIEDRO C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1Cl ZINC000555233973 1048301892 /nfs/dbraw/zinc/30/18/92/1048301892.db2.gz HJGVHTSLDDBTNY-MGPQQGTHSA-N 1 0 320.864 4.456 20 30 DIEDRO CCCCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC001203970678 1048307382 /nfs/dbraw/zinc/30/73/82/1048307382.db2.gz QTELKFIPEOCSPQ-UHFFFAOYSA-N 1 0 308.425 4.369 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC001201557132 1048314522 /nfs/dbraw/zinc/31/45/22/1048314522.db2.gz FYSKMEHZDALRDB-FQEVSTJZSA-N 1 0 308.425 4.442 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000775027405 1048315218 /nfs/dbraw/zinc/31/52/18/1048315218.db2.gz DPXYOVPRBZTFME-QFBILLFUSA-N 1 0 308.425 4.261 20 30 DIEDRO N#Cc1ccc(Nc2ccccc2C[NH+]2CCCCC2)c(F)c1 ZINC001201569970 1048321060 /nfs/dbraw/zinc/32/10/60/1048321060.db2.gz ZSIWMYZSLBCEDP-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001201631409 1048327332 /nfs/dbraw/zinc/32/73/32/1048327332.db2.gz RWXDVLFKXNPCKM-SFHVURJKSA-N 1 0 311.510 4.133 20 30 DIEDRO CCCCCCCCCCCN1CC[NH+](C2CCOCC2)CC1 ZINC001201630603 1048327362 /nfs/dbraw/zinc/32/73/62/1048327362.db2.gz CPEFCUCPMFFWAH-UHFFFAOYSA-N 1 0 324.553 4.314 20 30 DIEDRO CCCCCCCCCCCC[NH+]1CCC(NC(N)=O)CC1 ZINC001201631077 1048327889 /nfs/dbraw/zinc/32/78/89/1048327889.db2.gz LSVHSHVFYBTTKD-UHFFFAOYSA-N 1 0 311.514 4.040 20 30 DIEDRO CCCCCCCCCCC[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001201631400 1048328096 /nfs/dbraw/zinc/32/80/96/1048328096.db2.gz RODBFKFWIWTVMF-MRXNPFEDSA-N 1 0 305.453 4.467 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC001201672939 1048341894 /nfs/dbraw/zinc/34/18/94/1048341894.db2.gz ZUHUMDUBZHCODB-UHFFFAOYSA-N 1 0 304.437 4.370 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(-n2c3ccccc3nc2[C@@H](C)[NH3+])cc1 ZINC001162777273 1048356511 /nfs/dbraw/zinc/35/65/11/1048356511.db2.gz OTQHULBJEPQLRA-PBHICJAKSA-N 1 0 318.424 4.308 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)[C@@H]1CCCc2ccc(F)cc21 ZINC001175531305 1048359508 /nfs/dbraw/zinc/35/95/08/1048359508.db2.gz KBCUGKZSODJQTA-HXUWFJFHSA-N 1 0 308.400 4.249 20 30 DIEDRO CC(C)C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000481307268 1048359902 /nfs/dbraw/zinc/35/99/02/1048359902.db2.gz KUMTYXSWNIVQQQ-FQEVSTJZSA-N 1 0 319.452 4.489 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000600121537 1048368291 /nfs/dbraw/zinc/36/82/91/1048368291.db2.gz WAIDSUUMCZYLGH-PZJWPPBQSA-N 1 0 315.420 4.440 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001201762228 1048370278 /nfs/dbraw/zinc/37/02/78/1048370278.db2.gz BSVOUGNUJWKQPQ-INIZCTEOSA-N 1 0 324.509 4.146 20 30 DIEDRO CCCCCCC[NH+]1CCC(c2nc(C(=O)OCC)co2)CC1 ZINC001201798263 1048375034 /nfs/dbraw/zinc/37/50/34/1048375034.db2.gz SXIARZRYINGGEE-UHFFFAOYSA-N 1 0 322.449 4.001 20 30 DIEDRO CCCCCCC[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001201776609 1048375879 /nfs/dbraw/zinc/37/58/79/1048375879.db2.gz GXWJBSIBIHDGRB-UHFFFAOYSA-N 1 0 313.445 4.108 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 ZINC001201814892 1048376590 /nfs/dbraw/zinc/37/65/90/1048376590.db2.gz TUCQAHBRIKYOKG-BRWVUGGUSA-N 1 0 321.465 4.033 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001201787916 1048379011 /nfs/dbraw/zinc/37/90/11/1048379011.db2.gz PWILZICTXFVYCX-INIZCTEOSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCC[N@@H+]1CCc2ncc(Br)cc2C1 ZINC001201787796 1048379657 /nfs/dbraw/zinc/37/96/57/1048379657.db2.gz MUZSBWBQTNRARD-UHFFFAOYSA-N 1 0 311.267 4.173 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001201853023 1048380885 /nfs/dbraw/zinc/38/08/85/1048380885.db2.gz YKSKGVVBIFONHF-UHFFFAOYSA-N 1 0 301.478 4.463 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001201852997 1048381639 /nfs/dbraw/zinc/38/16/39/1048381639.db2.gz WTNLOKORSXLSTO-UHFFFAOYSA-N 1 0 301.478 4.463 20 30 DIEDRO CCCCCCCC[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001201826481 1048383570 /nfs/dbraw/zinc/38/35/70/1048383570.db2.gz XPQWYFVYXLLKFW-UHFFFAOYSA-N 1 0 307.453 4.470 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3c(C#N)nccc3c2)c1 ZINC001162914135 1048386502 /nfs/dbraw/zinc/38/65/02/1048386502.db2.gz NQECCCIURYPVGN-ZDUSSCGKSA-N 1 0 312.376 4.070 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC001201840113 1048387394 /nfs/dbraw/zinc/38/73/94/1048387394.db2.gz MOVBDXAWLPQFBK-UHFFFAOYSA-N 1 0 320.521 4.071 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001201839387 1048387832 /nfs/dbraw/zinc/38/78/32/1048387832.db2.gz MQPDWXRIDFUWBL-GJZGRUSLSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2nn(CC)cc2[C@H](COC)C1 ZINC001201839765 1048388383 /nfs/dbraw/zinc/38/83/83/1048388383.db2.gz RJGDVONLPQIZKS-KRWDZBQOSA-N 1 0 321.509 4.199 20 30 DIEDRO C[C@@H](C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000600213085 1048388623 /nfs/dbraw/zinc/38/86/23/1048388623.db2.gz QBSQFGXRWUBVDJ-HNNXBMFYSA-N 1 0 308.400 4.054 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@]2(CCN(CC)C2=O)C1 ZINC001201847539 1048390591 /nfs/dbraw/zinc/39/05/91/1048390591.db2.gz WZFRMTFGFOTBMH-IBGZPJMESA-N 1 0 308.510 4.071 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000481398353 1048392454 /nfs/dbraw/zinc/39/24/54/1048392454.db2.gz DOZBCNFYYKMSHC-LJQANCHMSA-N 1 0 305.425 4.243 20 30 DIEDRO CCCCCCCCCC[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001201874964 1048393128 /nfs/dbraw/zinc/39/31/28/1048393128.db2.gz MPUCBWQJXVGLSO-UHFFFAOYSA-N 1 0 302.453 4.152 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000555592114 1048396442 /nfs/dbraw/zinc/39/64/42/1048396442.db2.gz MGRMLBLLSGNWCB-PKOBYXMFSA-N 1 0 300.490 4.231 20 30 DIEDRO N#CC1(CC[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CCCCC1 ZINC001175668551 1048411817 /nfs/dbraw/zinc/41/18/17/1048411817.db2.gz CAWIAVYOPILYAY-LJQANCHMSA-N 1 0 323.484 4.335 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3cc(F)cc(C#N)c3)cc2)CC1 ZINC001175685236 1048415941 /nfs/dbraw/zinc/41/59/41/1048415941.db2.gz MKTOFHNIOPZECM-UHFFFAOYSA-N 1 0 309.388 4.250 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC=C(C)C)cc1OC ZINC001201988672 1048423982 /nfs/dbraw/zinc/42/39/82/1048423982.db2.gz FCPDDMFOXNBOER-UHFFFAOYSA-N 1 0 309.837 4.359 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCc1c(C)noc1C)c1ccc(F)c(F)c1 ZINC000481613947 1048438572 /nfs/dbraw/zinc/43/85/72/1048438572.db2.gz PQWRRGFKGNGUBD-QGZVFWFLSA-N 1 0 306.356 4.019 20 30 DIEDRO N#Cc1ccc(-c2ccc(N[C@H]3C[NH2+]Cc4ccsc43)cc2)o1 ZINC001163230255 1048441565 /nfs/dbraw/zinc/44/15/65/1048441565.db2.gz UKDMXAZVNCMABQ-INIZCTEOSA-N 1 0 321.405 4.136 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC001202083903 1048444456 /nfs/dbraw/zinc/44/44/56/1048444456.db2.gz MGWLZEDJFZMORF-WOJBJXKFSA-N 1 0 319.489 4.429 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C(C)C)CC2)cc1C#N ZINC001202084078 1048446432 /nfs/dbraw/zinc/44/64/32/1048446432.db2.gz RZDAVQXRJLMWFD-AEFFLSMTSA-N 1 0 300.446 4.261 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481671452 1048452242 /nfs/dbraw/zinc/45/22/42/1048452242.db2.gz BPRMLPDEGSTZIZ-HRAATJIYSA-N 1 0 318.420 4.141 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)C1 ZINC001202111102 1048465269 /nfs/dbraw/zinc/46/52/69/1048465269.db2.gz MDGKLGVDLUDXAG-OCCSQVGLSA-N 1 0 303.837 4.061 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)sc1Cl ZINC001202185162 1048472899 /nfs/dbraw/zinc/47/28/99/1048472899.db2.gz YXMRSOBJQJMYGT-SKDRFNHKSA-N 1 0 306.258 4.126 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CC)CC=C)cc1OC ZINC001202183518 1048473005 /nfs/dbraw/zinc/47/30/05/1048473005.db2.gz GLLAAIYADSFILE-CQSZACIVSA-N 1 0 309.837 4.358 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)sc1Cl ZINC001202185160 1048473830 /nfs/dbraw/zinc/47/38/30/1048473830.db2.gz YXMRSOBJQJMYGT-JOYOIKCWSA-N 1 0 306.258 4.126 20 30 DIEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc2cccc(C)c2n1 ZINC001163466171 1048474266 /nfs/dbraw/zinc/47/42/66/1048474266.db2.gz MPQJIMZPKCWUMI-UHFFFAOYSA-N 1 0 318.424 4.032 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000481816363 1048490764 /nfs/dbraw/zinc/49/07/64/1048490764.db2.gz RCJUFNGGOLUPOR-OLZOCXBDSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)cc1 ZINC000481814992 1048494460 /nfs/dbraw/zinc/49/44/60/1048494460.db2.gz KCBUCRHDYYOEEN-UHFFFAOYSA-N 1 0 314.791 4.329 20 30 DIEDRO C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001202241699 1048501636 /nfs/dbraw/zinc/50/16/36/1048501636.db2.gz HSIPFUSMDZADTH-HRAATJIYSA-N 1 0 304.437 4.404 20 30 DIEDRO Cc1cc(CC#N)ccc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163683470 1048503346 /nfs/dbraw/zinc/50/33/46/1048503346.db2.gz CQHJFFSWNHUFAB-UHFFFAOYSA-N 1 0 317.314 4.117 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCc2cccc(O)c2)cc1 ZINC001163708565 1048507506 /nfs/dbraw/zinc/50/75/06/1048507506.db2.gz MZOXWPKTBAXDJL-NRFANRHFSA-N 1 0 322.452 4.370 20 30 DIEDRO C#Cc1cccc(Nc2ccccc2OCC2CC[NH+](C)CC2)c1 ZINC001175978076 1048513386 /nfs/dbraw/zinc/51/33/86/1048513386.db2.gz NQZOFRVMUOPSDC-UHFFFAOYSA-N 1 0 320.436 4.132 20 30 DIEDRO N#Cc1cc2[nH]ccc2c(-n2c(C[NH3+])cc3cc(Cl)ccc32)c1 ZINC001163902328 1048548095 /nfs/dbraw/zinc/54/80/95/1048548095.db2.gz MOGRAHLNOHTVPM-UHFFFAOYSA-N 1 0 320.783 4.096 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC001202436441 1048553181 /nfs/dbraw/zinc/55/31/81/1048553181.db2.gz RQZANEVSNMNXJB-UHFFFAOYSA-N 1 0 300.471 4.230 20 30 DIEDRO C=CCc1cc(C[NH2+]CC(C)(C)C2CCC2)cc(OC)c1O ZINC001202445489 1048554147 /nfs/dbraw/zinc/55/41/47/1048554147.db2.gz SZGDVWHXHUMCHE-UHFFFAOYSA-N 1 0 303.446 4.045 20 30 DIEDRO N#Cc1cc(F)c(Nc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC001176195326 1048592312 /nfs/dbraw/zinc/59/23/12/1048592312.db2.gz DEWXGCSAIZZRJU-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO CC(C)(C)n1cc(C#N)cc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176195089 1048592572 /nfs/dbraw/zinc/59/25/72/1048592572.db2.gz TUAAVBNSJKCWLU-UHFFFAOYSA-N 1 0 322.456 4.454 20 30 DIEDRO N#Cc1c(F)ccc(F)c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176196916 1048593479 /nfs/dbraw/zinc/59/34/79/1048593479.db2.gz KHHDTKCTMMPCQV-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000237506482 1048604726 /nfs/dbraw/zinc/60/47/26/1048604726.db2.gz FPURTDWCXPVTIU-KSSFIOAISA-N 1 0 324.449 4.304 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cccc(Cl)c3)sc2C1 ZINC001176219896 1048607381 /nfs/dbraw/zinc/60/73/81/1048607381.db2.gz QQXSUYLKIZTABT-UHFFFAOYSA-N 1 0 303.818 4.005 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1OC ZINC000850030247 1048612153 /nfs/dbraw/zinc/61/21/53/1048612153.db2.gz WDJYOPAPIVNELB-IBGZPJMESA-N 1 0 320.436 4.491 20 30 DIEDRO C#CC[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC001176280962 1048617361 /nfs/dbraw/zinc/61/73/61/1048617361.db2.gz GFXFTDDUDNXXOT-UHFFFAOYSA-N 1 0 300.229 4.106 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2sc3c(c2C#N)CCCC3)cc1 ZINC001176289933 1048620138 /nfs/dbraw/zinc/62/01/38/1048620138.db2.gz VCNGWEGFIPHKIB-UHFFFAOYSA-N 1 0 311.454 4.304 20 30 DIEDRO C=C(C[NH2+]Cc1nc2ccc(Cl)cc2n1C)c1ccccc1 ZINC000482542300 1048628395 /nfs/dbraw/zinc/62/83/95/1048628395.db2.gz FWVSPPKAUUMZBF-UHFFFAOYSA-N 1 0 311.816 4.030 20 30 DIEDRO C[C@]1(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@]1(F)Cl ZINC000850339868 1048634456 /nfs/dbraw/zinc/63/44/56/1048634456.db2.gz SRQLUEJDACQLAP-DOTOQJQBSA-N 1 0 306.812 4.036 20 30 DIEDRO C[C@@]1(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@@]1(F)Cl ZINC000850339876 1048634871 /nfs/dbraw/zinc/63/48/71/1048634871.db2.gz SRQLUEJDACQLAP-WBVHZDCISA-N 1 0 306.812 4.036 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000850417458 1048652169 /nfs/dbraw/zinc/65/21/69/1048652169.db2.gz YOTMYONMWDIIJJ-UHFFFAOYSA-N 1 0 319.449 4.263 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1 ZINC000850438267 1048656214 /nfs/dbraw/zinc/65/62/14/1048656214.db2.gz DDXIXTBMVVGSPF-HUUCEWRRSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001176364365 1048661180 /nfs/dbraw/zinc/66/11/80/1048661180.db2.gz CDXAHZWNVZACRD-JXFKEZNVSA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc2c(c1)CCCO2 ZINC000850459868 1048665661 /nfs/dbraw/zinc/66/56/61/1048665661.db2.gz IMGVMEBQKUBEGR-ZIAGYGMSSA-N 1 0 324.399 4.434 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)cc1 ZINC000797083700 1048668837 /nfs/dbraw/zinc/66/88/37/1048668837.db2.gz FQZAPDVTDLIJMD-UKPHBRMFSA-N 1 0 323.864 4.141 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000850485529 1048671548 /nfs/dbraw/zinc/67/15/48/1048671548.db2.gz KSBKNVLOVNXBBS-GFCCVEGCSA-N 1 0 301.356 4.110 20 30 DIEDRO C=CCCSCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000850502908 1048672959 /nfs/dbraw/zinc/67/29/59/1048672959.db2.gz WLLJXEAUPWSGGW-GOSISDBHSA-N 1 0 305.487 4.053 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+](CCc1ccccc1)C1CC1 ZINC001176414006 1048680215 /nfs/dbraw/zinc/68/02/15/1048680215.db2.gz VUCKVYHQSYWPAO-UHFFFAOYSA-N 1 0 304.437 4.382 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)c1cccc(C#N)c1 ZINC000775337392 1048684109 /nfs/dbraw/zinc/68/41/09/1048684109.db2.gz GZDIWYGOHKZETP-SNVBAGLBSA-N 1 0 306.196 4.111 20 30 DIEDRO N#CC1(C[NH2+][C@H](c2ccccc2)C2CCOCC2)CCCCC1 ZINC000850549024 1048688487 /nfs/dbraw/zinc/68/84/87/1048688487.db2.gz CMJLRPDVLVBYJT-LJQANCHMSA-N 1 0 312.457 4.218 20 30 DIEDRO C#CCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001176454097 1048688434 /nfs/dbraw/zinc/68/84/34/1048688434.db2.gz YSTNLVMIBDTAMV-HXUWFJFHSA-N 1 0 320.392 4.108 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC1SCCS1 ZINC000850568848 1048695620 /nfs/dbraw/zinc/69/56/20/1048695620.db2.gz LDXUZAHGWCUTGD-MRXNPFEDSA-N 1 0 318.511 4.112 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775364406 1048703081 /nfs/dbraw/zinc/70/30/81/1048703081.db2.gz QBPFJLCTFMLMIM-INIZCTEOSA-N 1 0 310.441 4.168 20 30 DIEDRO CC(C)(Nc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C#N)cc1 ZINC001165752937 1048713682 /nfs/dbraw/zinc/71/36/82/1048713682.db2.gz OESWGVUHOREPMV-UHFFFAOYSA-N 1 0 320.440 4.291 20 30 DIEDRO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001190382581 1048723124 /nfs/dbraw/zinc/72/31/24/1048723124.db2.gz JLKKXEJQQNOEFY-CYBMUJFWSA-N 1 0 300.352 4.072 20 30 DIEDRO Cc1cccc(OCC[N@@H+](C)CCC2(C#N)CCCCC2)c1 ZINC001190392750 1048726687 /nfs/dbraw/zinc/72/66/87/1048726687.db2.gz SKAZBQOYKBFFHB-UHFFFAOYSA-N 1 0 300.446 4.170 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000775382643 1048732355 /nfs/dbraw/zinc/73/23/55/1048732355.db2.gz ZAHVMXBRPRGWHG-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO Cc1ccc([C@@H](C)[N@H+](C)CCOc2cccc(C#N)c2)c(C)c1 ZINC001190493011 1048751536 /nfs/dbraw/zinc/75/15/36/1048751536.db2.gz GESAZHWCEYWMNC-QGZVFWFLSA-N 1 0 308.425 4.247 20 30 DIEDRO CC(C)[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000775396259 1048754215 /nfs/dbraw/zinc/75/42/15/1048754215.db2.gz VIBIVTSSNCPXJM-ICSRJNTNSA-N 1 0 305.425 4.318 20 30 DIEDRO COC1(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCCCC1 ZINC000483262463 1048766244 /nfs/dbraw/zinc/76/62/44/1048766244.db2.gz AQVUIKXPCIZSTC-MOPGFXCFSA-N 1 0 312.457 4.107 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1cc(C#N)n(C)c1)CC1CCC1 ZINC000483270516 1048766525 /nfs/dbraw/zinc/76/65/25/1048766525.db2.gz VEGWOMKZHWGDQS-MRXNPFEDSA-N 1 0 307.441 4.260 20 30 DIEDRO COC1(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCCCC1 ZINC000483262465 1048767859 /nfs/dbraw/zinc/76/78/59/1048767859.db2.gz AQVUIKXPCIZSTC-RBUKOAKNSA-N 1 0 312.457 4.107 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001190642301 1048770155 /nfs/dbraw/zinc/77/01/55/1048770155.db2.gz ATBMTEWFGVSYGF-MRXNPFEDSA-N 1 0 301.393 4.179 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@](O)(c1ccccc1)C(C)C ZINC001190700120 1048771310 /nfs/dbraw/zinc/77/13/10/1048771310.db2.gz UPSWISBSWNCKRC-JOCHJYFZSA-N 1 0 323.480 4.261 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1c[nH]c(=O)c2ccccc12 ZINC001190699697 1048772993 /nfs/dbraw/zinc/77/29/93/1048772993.db2.gz MXRQOODNGUWWLJ-UHFFFAOYSA-N 1 0 318.420 4.171 20 30 DIEDRO CC(C)[NH+]1CCC(CNc2ccc(-c3ccc(C#N)o3)cc2)CC1 ZINC001166623259 1048773916 /nfs/dbraw/zinc/77/39/16/1048773916.db2.gz OCGNJKZMDUJBPN-UHFFFAOYSA-N 1 0 323.440 4.351 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000160882454 1048780475 /nfs/dbraw/zinc/78/04/75/1048780475.db2.gz PRHFLQKAYMBHFO-CQSZACIVSA-N 1 0 307.372 4.152 20 30 DIEDRO N#Cc1ccccc1N1CC[NH+](CCCC2CCCCC2)CC1 ZINC001190731777 1048782165 /nfs/dbraw/zinc/78/21/65/1048782165.db2.gz SPCCOOMRLXFIRI-UHFFFAOYSA-N 1 0 311.473 4.041 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000160882317 1048787013 /nfs/dbraw/zinc/78/70/13/1048787013.db2.gz PRHFLQKAYMBHFO-AWEZNQCLSA-N 1 0 307.372 4.152 20 30 DIEDRO COCC[N@H+](CC/C=C/c1ccccc1)Cc1ccc(C#N)cc1 ZINC001190810377 1048787989 /nfs/dbraw/zinc/78/79/89/1048787989.db2.gz PHJOWGOFHZICBJ-WEVVVXLNSA-N 1 0 320.436 4.110 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001176771794 1048788441 /nfs/dbraw/zinc/78/84/41/1048788441.db2.gz VRSZYTYHBXKVMU-IAGOWNOFSA-N 1 0 318.848 4.264 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001176771234 1048789753 /nfs/dbraw/zinc/78/97/53/1048789753.db2.gz IRTXZOWHBASGRP-HNNXBMFYSA-N 1 0 306.837 4.018 20 30 DIEDRO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC001176771953 1048789779 /nfs/dbraw/zinc/78/97/79/1048789779.db2.gz ZAZLAVZUBHPWIU-HXUWFJFHSA-N 1 0 309.457 4.056 20 30 DIEDRO C(#C[C@H](OCC[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC001206717970 1048790278 /nfs/dbraw/zinc/79/02/78/1048790278.db2.gz LGNBZOHXVGSPJK-QFIPXVFZSA-N 1 0 319.448 4.282 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001176813659 1048790556 /nfs/dbraw/zinc/79/05/56/1048790556.db2.gz GVEUHELHTSIVLE-VQIMIIECSA-N 1 0 324.509 4.336 20 30 DIEDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483414069 1048790616 /nfs/dbraw/zinc/79/06/16/1048790616.db2.gz VEKPDFCHJKIYNK-IBGZPJMESA-N 1 0 312.363 4.000 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccccc1 ZINC000775413502 1048791889 /nfs/dbraw/zinc/79/18/89/1048791889.db2.gz FAWPGKNICKAYPG-YVSFHVDLSA-N 1 0 318.511 4.001 20 30 DIEDRO CCCCCCCCC[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC001176857299 1048800360 /nfs/dbraw/zinc/80/03/60/1048800360.db2.gz UYHDMMYFSABSBS-VQIMIIECSA-N 1 0 305.462 4.069 20 30 DIEDRO CCS[C@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001190936445 1048801784 /nfs/dbraw/zinc/80/17/84/1048801784.db2.gz XKDGHUYOBTWKNF-INIZCTEOSA-N 1 0 307.890 4.299 20 30 DIEDRO C=C(C)CC[N@@H+](CCc1ccc(OC)c(OC)c1)CC(C)C ZINC001190977611 1048810036 /nfs/dbraw/zinc/81/00/36/1048810036.db2.gz SEZSPIUKJJWYLI-UHFFFAOYSA-N 1 0 305.462 4.171 20 30 DIEDRO C=CC[N@@H+](Cc1cc(C(=O)OC)ccc1F)CC1CCCCC1 ZINC001190984608 1048810266 /nfs/dbraw/zinc/81/02/66/1048810266.db2.gz KEFQWZXEJSJNGC-UHFFFAOYSA-N 1 0 319.420 4.181 20 30 DIEDRO N#CCc1cccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1F ZINC001166901136 1048811039 /nfs/dbraw/zinc/81/10/39/1048811039.db2.gz MMOHAJSXROPZII-LJQANCHMSA-N 1 0 323.415 4.141 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1C(F)(F)F ZINC000483525918 1048814975 /nfs/dbraw/zinc/81/49/75/1048814975.db2.gz QDNZBNWNCFARTF-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1CCN(C)C(=O)OC(C)(C)C ZINC001177021539 1048817021 /nfs/dbraw/zinc/81/70/21/1048817021.db2.gz ASUBGBAMKTXRLS-MRXNPFEDSA-N 1 0 310.482 4.064 20 30 DIEDRO C=CC1CC[NH+](Cc2c3ccccc3oc2C(=O)OCC)CC1 ZINC001191014122 1048820313 /nfs/dbraw/zinc/82/03/13/1048820313.db2.gz XXGJXCLOKOENNN-UHFFFAOYSA-N 1 0 313.397 4.008 20 30 DIEDRO COc1cc(C[NH2+]CCc2ccc(C(C)C)cc2)ccc1C#N ZINC001177117203 1048827089 /nfs/dbraw/zinc/82/70/89/1048827089.db2.gz LARGDZNFSGYYIA-UHFFFAOYSA-N 1 0 308.425 4.023 20 30 DIEDRO C[C@H]1SCC[N@H+](CC2CCC(C#N)CC2)[C@H]1c1ccccc1 ZINC001191030878 1048829884 /nfs/dbraw/zinc/82/98/84/1048829884.db2.gz SBTQSPXEOCEOHK-RMFNQSEZSA-N 1 0 314.498 4.495 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@]1(C)CC1(Cl)Cl ZINC001167023624 1048834586 /nfs/dbraw/zinc/83/45/86/1048834586.db2.gz IMBQBMSHUYJLDX-OAHLLOKOSA-N 1 0 311.256 4.354 20 30 DIEDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000852313068 1048835416 /nfs/dbraw/zinc/83/54/16/1048835416.db2.gz XPXDRCLGZSWDBT-WOJBJXKFSA-N 1 0 320.436 4.046 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000852412222 1048837796 /nfs/dbraw/zinc/83/77/96/1048837796.db2.gz ZQDSMMGTKWDAKO-HOTGVXAUSA-N 1 0 311.429 4.394 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCO[C@H](C)c1ccccc1 ZINC001177142232 1048838573 /nfs/dbraw/zinc/83/85/73/1048838573.db2.gz ACGUGSVSZOLYGW-GOSISDBHSA-N 1 0 322.452 4.433 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000852408800 1048838591 /nfs/dbraw/zinc/83/85/91/1048838591.db2.gz AXGCUVPNQOGUBL-HNNXBMFYSA-N 1 0 318.486 4.248 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000776590689 1048838705 /nfs/dbraw/zinc/83/87/05/1048838705.db2.gz FGLVPWLMHVDWNR-MOPGFXCFSA-N 1 0 314.473 4.295 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCCCc3ccccc3)cc2)CC1 ZINC001177153613 1048839736 /nfs/dbraw/zinc/83/97/36/1048839736.db2.gz SRSONMFVPAGHOM-UHFFFAOYSA-N 1 0 304.437 4.354 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc2ncsc2c1 ZINC000483713482 1048841887 /nfs/dbraw/zinc/84/18/87/1048841887.db2.gz UFSWLRVBERFAHU-LLVKDONJSA-N 1 0 311.385 4.158 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001191078646 1048842499 /nfs/dbraw/zinc/84/24/99/1048842499.db2.gz SYPGYJMUCJSJLZ-SFHVURJKSA-N 1 0 308.400 4.070 20 30 DIEDRO CC#CC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001191078705 1048843506 /nfs/dbraw/zinc/84/35/06/1048843506.db2.gz UVRUFWTZEMCUQM-UHFFFAOYSA-N 1 0 312.240 4.108 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000852792780 1048860381 /nfs/dbraw/zinc/86/03/81/1048860381.db2.gz CMYLDIJPZGENAS-INIZCTEOSA-N 1 0 308.510 4.116 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000852782538 1048860514 /nfs/dbraw/zinc/86/05/14/1048860514.db2.gz VBODYHSTPUIBMR-OAHLLOKOSA-N 1 0 306.409 4.043 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(C)o1 ZINC000067506527 1048861494 /nfs/dbraw/zinc/86/14/94/1048861494.db2.gz HUNJXQJWVQRYFH-OAHLLOKOSA-N 1 0 311.429 4.097 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000852792781 1048861356 /nfs/dbraw/zinc/86/13/56/1048861356.db2.gz CMYLDIJPZGENAS-MRXNPFEDSA-N 1 0 308.510 4.116 20 30 DIEDRO CCN(CC[NH2+]Cc1c(C)cc(C#N)cc1C)c1ccccc1C ZINC001177303384 1048862320 /nfs/dbraw/zinc/86/23/20/1048862320.db2.gz MIIFHCKNRSZPMT-UHFFFAOYSA-N 1 0 321.468 4.100 20 30 DIEDRO N#CC1CCC(C[NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC001191084651 1048863974 /nfs/dbraw/zinc/86/39/74/1048863974.db2.gz CFDGLDPFMAXXIS-UHFFFAOYSA-N 1 0 300.421 4.335 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000338954227 1048865278 /nfs/dbraw/zinc/86/52/78/1048865278.db2.gz NDIRYQGYDYGFKV-MRXNPFEDSA-N 1 0 324.424 4.229 20 30 DIEDRO Cc1cccc([C@@H]2CCCCC[N@@H+]2Cc2cncc(C#N)c2)c1 ZINC001191132283 1048875562 /nfs/dbraw/zinc/87/55/62/1048875562.db2.gz JOAUZQWGTPDNDZ-FQEVSTJZSA-N 1 0 305.425 4.379 20 30 DIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483957881 1048887960 /nfs/dbraw/zinc/88/79/60/1048887960.db2.gz HAESCPZSRRCZQJ-FQEVSTJZSA-N 1 0 323.415 4.100 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000338955570 1048888732 /nfs/dbraw/zinc/88/87/32/1048888732.db2.gz GDBWJWRXLLWCPO-FQEVSTJZSA-N 1 0 324.399 4.285 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483964110 1048891462 /nfs/dbraw/zinc/89/14/62/1048891462.db2.gz NPYMXHDMSHCKOR-GUYCJALGSA-N 1 0 312.363 4.214 20 30 DIEDRO CCCCCCC[C@H](C)C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC001177428484 1048892853 /nfs/dbraw/zinc/89/28/53/1048892853.db2.gz AJHAVUWQUNSDTQ-HNNXBMFYSA-N 1 0 323.550 4.296 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC001177442975 1048893716 /nfs/dbraw/zinc/89/37/16/1048893716.db2.gz XZVKVROCXJIALQ-ZFWWWQNUSA-N 1 0 324.262 4.162 20 30 DIEDRO FC(F)(F)[C@@H]1CCC[C@H](C=[NH+]n2cnnc2-c2ccccc2)C1 ZINC000853284156 1048895554 /nfs/dbraw/zinc/89/55/54/1048895554.db2.gz RRTZDIFASMUCKX-GXTWGEPZSA-N 1 0 322.334 4.148 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1C#N ZINC001191223467 1048903132 /nfs/dbraw/zinc/90/31/32/1048903132.db2.gz OIDICCHEDWUZCM-UWJYYQICSA-N 1 0 304.437 4.492 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(O)c(C(C)(C)C)c1 ZINC000853526443 1048907856 /nfs/dbraw/zinc/90/78/56/1048907856.db2.gz RUAHHLXWYQZGRS-HNNXBMFYSA-N 1 0 300.446 4.124 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(Br)cc2Cl)CCCC1 ZINC001203472247 1048909027 /nfs/dbraw/zinc/90/90/27/1048909027.db2.gz RMXWHXSBFIRACB-UHFFFAOYSA-N 1 0 312.638 4.138 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC001191269437 1048911812 /nfs/dbraw/zinc/91/18/12/1048911812.db2.gz SPVGHDVBXQALBG-HXUWFJFHSA-N 1 0 322.452 4.328 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001203503989 1048914394 /nfs/dbraw/zinc/91/43/94/1048914394.db2.gz MSDKZEPQBVVFCN-LSDHHAIUSA-N 1 0 310.482 4.014 20 30 DIEDRO Oc1cccc2c1CCC[C@H]2[NH2+]CC#Cc1cccc(Cl)c1 ZINC000484304060 1048920183 /nfs/dbraw/zinc/92/01/83/1048920183.db2.gz UDJDZEAZBLOYED-GOSISDBHSA-N 1 0 311.812 4.064 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3cccc(F)c3F)CC2)c1 ZINC001204199136 1048920123 /nfs/dbraw/zinc/92/01/23/1048920123.db2.gz RKUWQHXMDKUAFH-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000924792381 1048921165 /nfs/dbraw/zinc/92/11/65/1048921165.db2.gz VBRFJUAYIVAXRG-SNVBAGLBSA-N 1 0 307.850 4.368 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCC2)cc1 ZINC001177594163 1048922204 /nfs/dbraw/zinc/92/22/04/1048922204.db2.gz BBNNQGXQWYUYJA-UHFFFAOYSA-N 1 0 323.411 4.049 20 30 DIEDRO COc1ccc2c(Nc3cc(F)c(C#N)c(F)c3)cc[nH+]c2c1 ZINC001203528880 1048922825 /nfs/dbraw/zinc/92/28/25/1048922825.db2.gz ZCKPVFNSSORAPU-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001191317823 1048924987 /nfs/dbraw/zinc/92/49/87/1048924987.db2.gz NMPOFDHSRXUCPJ-MGPUTAFESA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001191315936 1048925004 /nfs/dbraw/zinc/92/50/04/1048925004.db2.gz GIIDCZOBBWOVNN-MGPUTAFESA-N 1 0 311.375 4.399 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001191315935 1048925223 /nfs/dbraw/zinc/92/52/23/1048925223.db2.gz GIIDCZOBBWOVNN-FOIQADDNSA-N 1 0 311.375 4.399 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC001177683334 1048927562 /nfs/dbraw/zinc/92/75/62/1048927562.db2.gz AXOQMHOCTAQRAA-CTNGQTDRSA-N 1 0 312.501 4.343 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(OCC(C)C)c2)CC1 ZINC001203559829 1048928674 /nfs/dbraw/zinc/92/86/74/1048928674.db2.gz WFBXAEHVJNHSHD-SAABIXHNSA-N 1 0 315.457 4.012 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC)c2OCCC)CC1 ZINC001203559904 1048929433 /nfs/dbraw/zinc/92/94/33/1048929433.db2.gz ZFDZMKWOQHLOAI-SAABIXHNSA-N 1 0 315.457 4.156 20 30 DIEDRO C=C(C[NH2+]Cc1cn(-c2cccc(F)c2)nc1C)c1ccccc1 ZINC001177687672 1048931841 /nfs/dbraw/zinc/93/18/41/1048931841.db2.gz FYPWHNKSQUFEKV-UHFFFAOYSA-N 1 0 321.399 4.123 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CCc2csc3ccccc23)cc1 ZINC001177729825 1048932025 /nfs/dbraw/zinc/93/20/25/1048932025.db2.gz YFGIBYZDDOWZBL-UHFFFAOYSA-N 1 0 321.445 4.246 20 30 DIEDRO C=C(Br)C[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001177744524 1048938105 /nfs/dbraw/zinc/93/81/05/1048938105.db2.gz WJUKLODHHYYPJN-UHFFFAOYSA-N 1 0 306.247 4.440 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1OC ZINC001177765769 1048941192 /nfs/dbraw/zinc/94/11/92/1048941192.db2.gz YBSJSWISOPRZQH-SWLSCSKDSA-N 1 0 309.837 4.192 20 30 DIEDRO COc1ccc(C[N@H+](CCC#N)C2CCCCCCC2)c(O)c1 ZINC001203629446 1048945573 /nfs/dbraw/zinc/94/55/73/1048945573.db2.gz KWXFIGBGDBKSJN-UHFFFAOYSA-N 1 0 316.445 4.229 20 30 DIEDRO CC1(C)C[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001177799967 1048947287 /nfs/dbraw/zinc/94/72/87/1048947287.db2.gz PATGLJWKEXOLMV-LJQANCHMSA-N 1 0 320.436 4.273 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cccc(F)c3F)CC2)cc1 ZINC001204203366 1048947433 /nfs/dbraw/zinc/94/74/33/1048947433.db2.gz ZHLQHKUACVJCHH-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001177875753 1048949676 /nfs/dbraw/zinc/94/96/76/1048949676.db2.gz PTVWYYZFZDZDPJ-UHFFFAOYSA-N 1 0 322.383 4.229 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+]Cc2cccc(OCC#N)c2)c(C)c1 ZINC001177840442 1048951137 /nfs/dbraw/zinc/95/11/37/1048951137.db2.gz NSFZWTCEURTHCP-VMPITWQZSA-N 1 0 320.436 4.317 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+]Cc2cccc(OCC#N)c2)c(C)c1 ZINC001177840443 1048951503 /nfs/dbraw/zinc/95/15/03/1048951503.db2.gz NSFZWTCEURTHCP-YVMONPNESA-N 1 0 320.436 4.317 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCc2ccccc21 ZINC001203663946 1048952574 /nfs/dbraw/zinc/95/25/74/1048952574.db2.gz HLCHLHFNPAKSDR-GOSISDBHSA-N 1 0 311.812 4.168 20 30 DIEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1cncc(C#N)c1 ZINC001191485474 1048953204 /nfs/dbraw/zinc/95/32/04/1048953204.db2.gz HOYXPDYRWBVEQO-ZIAGYGMSSA-N 1 0 313.832 4.231 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1C)c1ccccc1 ZINC000775462751 1048957546 /nfs/dbraw/zinc/95/75/46/1048957546.db2.gz DKYYPVWOWQGZGV-UXHICEINSA-N 1 0 313.416 4.465 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1C)c1ccccc1 ZINC000775462750 1048957560 /nfs/dbraw/zinc/95/75/60/1048957560.db2.gz DKYYPVWOWQGZGV-PMACEKPBSA-N 1 0 313.416 4.465 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)ccc1OC ZINC001203672403 1048957820 /nfs/dbraw/zinc/95/78/20/1048957820.db2.gz KECRAJYEEAWYRE-MSOLQXFVSA-N 1 0 315.457 4.176 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000775463169 1048957975 /nfs/dbraw/zinc/95/79/75/1048957975.db2.gz JBMDODZGASFCMS-PMACEKPBSA-N 1 0 322.452 4.277 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000776733743 1048968540 /nfs/dbraw/zinc/96/85/40/1048968540.db2.gz XYYYIIGFYAVMPA-OLZOCXBDSA-N 1 0 300.352 4.291 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)CC(C)C)cc1OC ZINC001177955568 1048970174 /nfs/dbraw/zinc/97/01/74/1048970174.db2.gz NHLGYMUAZRNJHX-UHFFFAOYSA-N 1 0 305.462 4.422 20 30 DIEDRO COc1cccc([C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001203762692 1048992878 /nfs/dbraw/zinc/99/28/78/1048992878.db2.gz NPUXLIOSDDJCCS-HXUWFJFHSA-N 1 0 306.409 4.294 20 30 DIEDRO N#CCC[N@@H+](Cc1cccc(Br)c1)C1CCCC1 ZINC001203765953 1048994306 /nfs/dbraw/zinc/99/43/06/1048994306.db2.gz MKRMNDPOUOMGOT-UHFFFAOYSA-N 1 0 307.235 4.107 20 30 DIEDRO CCC1(CC)[C@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)C[C@@H]1OC ZINC001191742225 1048994421 /nfs/dbraw/zinc/99/44/21/1048994421.db2.gz MVRBEYCRBVONAJ-SJORKVTESA-N 1 0 320.864 4.237 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC001203785580 1048998069 /nfs/dbraw/zinc/99/80/69/1048998069.db2.gz IEEFTLGXASYUCC-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO C#CCC1([NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)CCCCC1 ZINC001203808931 1049004899 /nfs/dbraw/zinc/00/48/99/1049004899.db2.gz BHHOPVAEVZWXNH-AWEZNQCLSA-N 1 0 302.487 4.084 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)c1ccccc1 ZINC001178223419 1049006203 /nfs/dbraw/zinc/00/62/03/1049006203.db2.gz XUMHIBOYLCDIBN-INIZCTEOSA-N 1 0 319.235 4.430 20 30 DIEDRO C#Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC001178310698 1049018720 /nfs/dbraw/zinc/01/87/20/1049018720.db2.gz CYGVOCVCKJHFLU-NRFANRHFSA-N 1 0 316.448 4.277 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)cc1 ZINC001203906952 1049027357 /nfs/dbraw/zinc/02/73/57/1049027357.db2.gz GWKYDYUUQDZRKK-OAQYLSRUSA-N 1 0 320.411 4.177 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2F)cc1 ZINC000113312995 1049032088 /nfs/dbraw/zinc/03/20/88/1049032088.db2.gz PHNMDQMODGCCRU-CQSZACIVSA-N 1 0 315.363 4.218 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(OC)c(Br)cc1F ZINC001178584906 1049057148 /nfs/dbraw/zinc/05/71/48/1049057148.db2.gz RBZRZDQGNHDXGH-LLVKDONJSA-N 1 0 316.214 4.041 20 30 DIEDRO C#C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001203962347 1049046683 /nfs/dbraw/zinc/04/66/83/1049046683.db2.gz LMZCPNPJGTYTRZ-SFHVURJKSA-N 1 0 305.421 4.111 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001178583949 1049057551 /nfs/dbraw/zinc/05/75/51/1049057551.db2.gz BRGFEHINCPYUGI-GOEBONIOSA-N 1 0 313.363 4.085 20 30 DIEDRO COCc1c(C)cc(C)c(C[NH2+]CC2CCC(C#N)CC2)c1C ZINC001178561130 1049061913 /nfs/dbraw/zinc/06/19/13/1049061913.db2.gz AZXXQOHAKIDUDY-UHFFFAOYSA-N 1 0 314.473 4.178 20 30 DIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC001192234681 1049066992 /nfs/dbraw/zinc/06/69/92/1049066992.db2.gz TXAVNMISJNJJEL-WOJBJXKFSA-N 1 0 312.457 4.026 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccccc2Br)C1 ZINC001178614044 1049067031 /nfs/dbraw/zinc/06/70/31/1049067031.db2.gz GFSLYYJECXJWNA-HIFRSBDPSA-N 1 0 308.263 4.326 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1 ZINC001204043017 1049071998 /nfs/dbraw/zinc/07/19/98/1049071998.db2.gz JZJMMXSZAOUASA-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000484912116 1049077835 /nfs/dbraw/zinc/07/78/35/1049077835.db2.gz RWSLBODTRLEYLO-UKRRQHHQSA-N 1 0 322.474 4.202 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001178759199 1049085840 /nfs/dbraw/zinc/08/58/40/1049085840.db2.gz ZAJGVCJUCVKDKF-UHFFFAOYSA-N 1 0 307.290 4.116 20 30 DIEDRO N#Cc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)cc1C#N ZINC001204118757 1049088608 /nfs/dbraw/zinc/08/86/08/1049088608.db2.gz QELUOZNAQRIPDV-UHFFFAOYSA-N 1 0 316.408 4.159 20 30 DIEDRO COc1cc(Nc2cccc(C[NH+]3CCCCC3)c2)ccc1C#N ZINC001204119121 1049088741 /nfs/dbraw/zinc/08/87/41/1049088741.db2.gz XNQNVIJJCXMUES-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCOC(C)(C)C)cc1 ZINC000776890656 1049095332 /nfs/dbraw/zinc/09/53/32/1049095332.db2.gz SSEBYLHWARHFRA-CQSZACIVSA-N 1 0 311.853 4.284 20 30 DIEDRO C(#Cc1ccccc1)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC001204163995 1049099793 /nfs/dbraw/zinc/09/97/93/1049099793.db2.gz WWVOSNJXPFOPGC-IBGZPJMESA-N 1 0 307.462 4.152 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)c(Cl)c1)C1CC1 ZINC001192516151 1049112709 /nfs/dbraw/zinc/11/27/09/1049112709.db2.gz UUPXNVGWDKJIHD-UHFFFAOYSA-N 1 0 300.627 4.253 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779513 1049106701 /nfs/dbraw/zinc/10/67/01/1049106701.db2.gz ZNKWRLOMOSPUAY-IVZWLZJFSA-N 1 0 317.742 4.097 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)cn1)CC1CCCCC1 ZINC000484943505 1049108626 /nfs/dbraw/zinc/10/86/26/1049108626.db2.gz FSMXRWOBBQSGRY-UHFFFAOYSA-N 1 0 323.278 4.412 20 30 DIEDRO COc1cc(C[NH2+]CC2(C)CCC(C)(C)CC2)ccc1C#N ZINC001178962644 1049115585 /nfs/dbraw/zinc/11/55/85/1049115585.db2.gz NUOZRVPKRGDJQF-UHFFFAOYSA-N 1 0 300.446 4.263 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C/C=C/c1cccc(F)c1 ZINC001178971211 1049115477 /nfs/dbraw/zinc/11/54/77/1049115477.db2.gz FXOOMZISFXHXKG-HQMUEHRGSA-N 1 0 306.384 4.378 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1ccccc1C#N)C(C)(C)c1ccccc1 ZINC001192605043 1049122023 /nfs/dbraw/zinc/12/20/23/1049122023.db2.gz QNFJXWYSTOWYSH-HXUWFJFHSA-N 1 0 322.452 4.283 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)CCc1nsc2ccccc21 ZINC001192652616 1049123287 /nfs/dbraw/zinc/12/32/87/1049123287.db2.gz GACMZGVNVLBXPX-UHFFFAOYSA-N 1 0 312.438 4.163 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC001179101628 1049126998 /nfs/dbraw/zinc/12/69/98/1049126998.db2.gz WLZCFSLCXDFSPW-UHFFFAOYSA-N 1 0 310.513 4.271 20 30 DIEDRO C=CC[N@H+](CCOc1ccc(F)cc1Cl)CCc1ccco1 ZINC001192653475 1049124280 /nfs/dbraw/zinc/12/42/80/1049124280.db2.gz OFUUFHLBYKGGNH-UHFFFAOYSA-N 1 0 323.795 4.182 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC001179028558 1049125504 /nfs/dbraw/zinc/12/55/04/1049125504.db2.gz USQYGCWZNFZBGX-UHFFFAOYSA-N 1 0 313.404 4.104 20 30 DIEDRO CC(C)([NH2+]CCOc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC001192681057 1049128773 /nfs/dbraw/zinc/12/87/73/1049128773.db2.gz CVVJDGFVETVKDU-UHFFFAOYSA-N 1 0 314.816 4.115 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2ccc(Oc3ccccc3)o2)cc1 ZINC001179142391 1049130649 /nfs/dbraw/zinc/13/06/49/1049130649.db2.gz HDJIZXGCTAISQE-UHFFFAOYSA-N 1 0 318.376 4.276 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O[C@H](C)COC)cc1 ZINC001179142640 1049130992 /nfs/dbraw/zinc/13/09/92/1049130992.db2.gz KGRLBROLOCFFKT-YVWKXTFCSA-N 1 0 317.473 4.325 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2cccc(OC3CCCC3)c2)cc1 ZINC001179143118 1049131534 /nfs/dbraw/zinc/13/15/34/1049131534.db2.gz SPRCMGHZWAOTBB-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc1 ZINC001204302738 1049134044 /nfs/dbraw/zinc/13/40/44/1049134044.db2.gz RELOWQJOGQGAMB-HDICACEKSA-N 1 0 305.421 4.338 20 30 DIEDRO C=CCC[C@H]([NH2+]CCOc1ccccc1C#N)c1ccccc1 ZINC001192709743 1049134115 /nfs/dbraw/zinc/13/41/15/1049134115.db2.gz MZEWQNBZPRAQDL-IBGZPJMESA-N 1 0 306.409 4.234 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc([Si](C)(C)C)cc2)C1 ZINC001179178361 1049134668 /nfs/dbraw/zinc/13/46/68/1049134668.db2.gz TVUQKIRNNNDXCJ-ZWKOTPCHSA-N 1 0 301.550 4.109 20 30 DIEDRO C#CCC[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC001192707826 1049134949 /nfs/dbraw/zinc/13/49/49/1049134949.db2.gz CCJXQINVEUQASO-NRFANRHFSA-N 1 0 307.437 4.209 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)ccc1C#N ZINC001204306111 1049136744 /nfs/dbraw/zinc/13/67/44/1049136744.db2.gz GFEFZOAYZUHNEW-AUUYWEPGSA-N 1 0 324.399 4.289 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(C)c(Br)cn2)CCCC1 ZINC001179159148 1049137791 /nfs/dbraw/zinc/13/77/91/1049137791.db2.gz JCKPBUBRGGVGMQ-UHFFFAOYSA-N 1 0 309.251 4.131 20 30 DIEDRO C=CCC1([NH2+]Cc2sc(N3CCCCC3)nc2C)CCCC1 ZINC001179160509 1049138160 /nfs/dbraw/zinc/13/81/60/1049138160.db2.gz XZOPBHAYPQROGY-UHFFFAOYSA-N 1 0 319.518 4.420 20 30 DIEDRO N#Cc1ccnc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC001192900424 1049146689 /nfs/dbraw/zinc/14/66/89/1049146689.db2.gz BSDUPJQWPYDVSZ-LJQANCHMSA-N 1 0 309.388 4.113 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001192951378 1049151910 /nfs/dbraw/zinc/15/19/10/1049151910.db2.gz WXDBNMFEYBGPJK-INIZCTEOSA-N 1 0 323.525 4.052 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001192949589 1049152088 /nfs/dbraw/zinc/15/20/88/1049152088.db2.gz IBERBGKXKUQFFU-XLAORIBOSA-N 1 0 323.525 4.050 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC001204369701 1049153662 /nfs/dbraw/zinc/15/36/62/1049153662.db2.gz ZVBZFFACBIOAMV-YLJYHZDGSA-N 1 0 319.489 4.239 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC001179348103 1049155050 /nfs/dbraw/zinc/15/50/50/1049155050.db2.gz OOCRZJNWOFDCGP-DJPFJPOOSA-N 1 0 323.484 4.085 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001192931101 1049156055 /nfs/dbraw/zinc/15/60/55/1049156055.db2.gz IVNWILZSRZRNOB-ROUUACIJSA-N 1 0 323.525 4.005 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)C1 ZINC001179325239 1049157864 /nfs/dbraw/zinc/15/78/64/1049157864.db2.gz QBNMLZWCMDUSCP-HOCLYGCPSA-N 1 0 300.421 4.492 20 30 DIEDRO CCc1oc2ccccc2c1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001179419526 1049167634 /nfs/dbraw/zinc/16/76/34/1049167634.db2.gz NRDYUBGIZMINBH-QGZVFWFLSA-N 1 0 316.404 4.124 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCCC)c(OCC)c2)CC1 ZINC001179506941 1049175618 /nfs/dbraw/zinc/17/56/18/1049175618.db2.gz MUQCEPNYKMCOJX-SAABIXHNSA-N 1 0 315.457 4.156 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C2(c3ccc(OC)cc3)CC2)cc1 ZINC000776960904 1049196624 /nfs/dbraw/zinc/19/66/24/1049196624.db2.gz VEDDMZGQPBGZTE-INIZCTEOSA-N 1 0 321.420 4.047 20 30 DIEDRO C=C(C)[C@@H](NC[C@H]1CCCC[N@H+]1C(C)C)c1ccc(F)c(F)c1 ZINC001193573937 1049225162 /nfs/dbraw/zinc/22/51/62/1049225162.db2.gz CSETZRBSKKEWBE-VQIMIIECSA-N 1 0 322.443 4.435 20 30 DIEDRO C=CCC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001193573780 1049225887 /nfs/dbraw/zinc/22/58/87/1049225887.db2.gz ANVISXBYBNQSJI-UHFFFAOYSA-N 1 0 313.363 4.372 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000858206283 1049227315 /nfs/dbraw/zinc/22/73/15/1049227315.db2.gz NUMKWUPMMLEVKO-UHFFFAOYSA-N 1 0 320.868 4.358 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2cc(F)cc(F)c2C#N)cc1 ZINC001204705543 1049234245 /nfs/dbraw/zinc/23/42/45/1049234245.db2.gz NHDVIAIGAAGLPH-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001193649271 1049240846 /nfs/dbraw/zinc/24/08/46/1049240846.db2.gz NOLAQKAAEOCLGP-OAHLLOKOSA-N 1 0 308.372 4.218 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC001193695149 1049245736 /nfs/dbraw/zinc/24/57/36/1049245736.db2.gz RMZCLFZCPXXTJX-KGLIPLIRSA-N 1 0 303.833 4.471 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC001193695148 1049245818 /nfs/dbraw/zinc/24/58/18/1049245818.db2.gz RMZCLFZCPXXTJX-KBPBESRZSA-N 1 0 303.833 4.471 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC001193695150 1049245844 /nfs/dbraw/zinc/24/58/44/1049245844.db2.gz RMZCLFZCPXXTJX-UONOGXRCSA-N 1 0 303.833 4.471 20 30 DIEDRO CCCCCCCCC[N@H+](C)Cc1c2c(nn1C)CCSC2 ZINC001204736124 1049246287 /nfs/dbraw/zinc/24/62/87/1049246287.db2.gz HXQRPPGCVSWOTH-UHFFFAOYSA-N 1 0 323.550 4.392 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(C)ccc1C ZINC000858376112 1049248394 /nfs/dbraw/zinc/24/83/94/1049248394.db2.gz HAYHIKTVTLBZJD-HXUWFJFHSA-N 1 0 308.425 4.447 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1c(C(C)C)nc2sc(C)nn12 ZINC001204768518 1049258670 /nfs/dbraw/zinc/25/86/70/1049258670.db2.gz KMEDVWHUSFPBGF-UHFFFAOYSA-N 1 0 320.506 4.401 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC001204768624 1049259201 /nfs/dbraw/zinc/25/92/01/1049259201.db2.gz LPUYCYJLTYICEL-UHFFFAOYSA-N 1 0 306.450 4.103 20 30 DIEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001180030494 1049261471 /nfs/dbraw/zinc/26/14/71/1049261471.db2.gz NJBGLIOIQXCUTN-NHCUHLMSSA-N 1 0 307.412 4.455 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc2c(c1)CCCO2 ZINC001180031075 1049262346 /nfs/dbraw/zinc/26/23/46/1049262346.db2.gz UKJWHNAJFLLWSS-UHFFFAOYSA-N 1 0 300.446 4.163 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000858484648 1049264158 /nfs/dbraw/zinc/26/41/58/1049264158.db2.gz XFENWBIZONEIRS-FOIQADDNSA-N 1 0 321.424 4.176 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1ccco1 ZINC000858496682 1049265391 /nfs/dbraw/zinc/26/53/91/1049265391.db2.gz AVPWTBIZJMKNBC-GOSISDBHSA-N 1 0 312.413 4.059 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000158829520 1049266331 /nfs/dbraw/zinc/26/63/31/1049266331.db2.gz DASPKWBDNAQZAM-HNNXBMFYSA-N 1 0 302.399 4.453 20 30 DIEDRO CC[N@H+](Cc1csc(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC001204826428 1049277703 /nfs/dbraw/zinc/27/77/03/1049277703.db2.gz KJYVWANDHLDXCB-CYBMUJFWSA-N 1 0 300.427 4.211 20 30 DIEDRO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC001180132834 1049278751 /nfs/dbraw/zinc/27/87/51/1049278751.db2.gz NJGIMRVOQSHJGM-POAQFYNOSA-N 1 0 312.457 4.148 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ccc(Cl)cc31)CC2 ZINC000858582034 1049279677 /nfs/dbraw/zinc/27/96/77/1049279677.db2.gz LLMLEVXJESFWNS-RBUKOAKNSA-N 1 0 308.812 4.476 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001193941938 1049294529 /nfs/dbraw/zinc/29/45/29/1049294529.db2.gz JMMBMGOAZFIYAU-HNNXBMFYSA-N 1 0 321.848 4.084 20 30 DIEDRO CC[N@H+](C[C@H](C)CCC#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001180175563 1049295869 /nfs/dbraw/zinc/29/58/69/1049295869.db2.gz VMOMDJYIESUYKL-WSTZPKSXSA-N 1 0 313.489 4.084 20 30 DIEDRO CCCCCCCOC(=O)Nc1cc(C)nn1-c1cc[nH+]cc1 ZINC001193993489 1049303823 /nfs/dbraw/zinc/30/38/23/1049303823.db2.gz DVPIPSDQHZSUBV-UHFFFAOYSA-N 1 0 316.405 4.095 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1O ZINC001204900173 1049305999 /nfs/dbraw/zinc/30/59/99/1049305999.db2.gz XSWZFZJXJDVWSO-UHFFFAOYSA-N 1 0 312.800 4.105 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCC(C)(C)C1 ZINC001194042214 1049306905 /nfs/dbraw/zinc/30/69/05/1049306905.db2.gz OSJLXMKHCJOJGS-AWEZNQCLSA-N 1 0 308.372 4.170 20 30 DIEDRO C=CC[N@@H+](C[C@@H]1C[C@@]1(C)Br)CC1CCCCC1 ZINC001204923796 1049313284 /nfs/dbraw/zinc/31/32/84/1049313284.db2.gz PVBJWKKJACANMF-LSDHHAIUSA-N 1 0 300.284 4.228 20 30 DIEDRO CC[N@H+](Cc1cc(C)ccc1NC)[C@H](C)c1ccc(C#N)cc1 ZINC001180198472 1049313442 /nfs/dbraw/zinc/31/34/42/1049313442.db2.gz AWDVYALGHLKGTE-MRXNPFEDSA-N 1 0 307.441 4.492 20 30 DIEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001180249538 1049321591 /nfs/dbraw/zinc/32/15/91/1049321591.db2.gz QOHOITTWYGJMPB-DYESRHJHSA-N 1 0 324.468 4.394 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3nonc3c2)cc1 ZINC001204966750 1049326781 /nfs/dbraw/zinc/32/67/81/1049326781.db2.gz UELUNVANJQSGAP-LJQANCHMSA-N 1 0 305.381 4.213 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001194152930 1049328375 /nfs/dbraw/zinc/32/83/75/1049328375.db2.gz JUHPEIBOYLWWJB-LAUBAEHRSA-N 1 0 320.436 4.410 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1nn(CC)c2ccccc12 ZINC001180279543 1049331927 /nfs/dbraw/zinc/33/19/27/1049331927.db2.gz BNKSSLORSAWOGQ-UHFFFAOYSA-N 1 0 319.452 4.287 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(C)cc1OC)[C@H]1CCc2ccccc21 ZINC001180297498 1049339036 /nfs/dbraw/zinc/33/90/36/1049339036.db2.gz YXMIHPDHYAXMIT-FQEVSTJZSA-N 1 0 305.421 4.126 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC001194220034 1049344426 /nfs/dbraw/zinc/34/44/26/1049344426.db2.gz AFSIEUUABJTTNZ-OAHLLOKOSA-N 1 0 323.399 4.164 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](C)c1cc(F)cc(F)c1 ZINC001180331828 1049345711 /nfs/dbraw/zinc/34/57/11/1049345711.db2.gz KRBJHLDIWDHXOR-AWEZNQCLSA-N 1 0 305.368 4.392 20 30 DIEDRO CCc1oc2ccccc2c1C[N@H+](C)CC#Cc1ccccc1 ZINC001205024176 1049347099 /nfs/dbraw/zinc/34/70/99/1049347099.db2.gz SSNRUNLTAROVHZ-UHFFFAOYSA-N 1 0 303.405 4.479 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCOC2CCC2)cc1 ZINC000777121544 1049349730 /nfs/dbraw/zinc/34/97/30/1049349730.db2.gz MVUNEIWPRSLNHC-CQSZACIVSA-N 1 0 309.837 4.038 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc2ncsc2c1 ZINC000485854732 1049355325 /nfs/dbraw/zinc/35/53/25/1049355325.db2.gz XJNUMNAYFBILRM-CYBMUJFWSA-N 1 0 310.397 4.138 20 30 DIEDRO CC(C)([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001194307323 1049355867 /nfs/dbraw/zinc/35/58/67/1049355867.db2.gz QHNCNKVRZVFCSR-UHFFFAOYSA-N 1 0 301.792 4.356 20 30 DIEDRO CC(C)[C@H](C)[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC001180489367 1049363738 /nfs/dbraw/zinc/36/37/38/1049363738.db2.gz ZAHFCWUAARBXIE-LBPRGKRZSA-N 1 0 321.262 4.330 20 30 DIEDRO CCCCCCCc1ccc(-c2noc([C@@H](C)C[NH3+])n2)cc1 ZINC001205105915 1049379975 /nfs/dbraw/zinc/37/99/75/1049379975.db2.gz NULRQIIKWQQQAJ-AWEZNQCLSA-N 1 0 301.434 4.312 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)Cc2ccccc2)cc1 ZINC000117392257 1049380618 /nfs/dbraw/zinc/38/06/18/1049380618.db2.gz WQOCSMYYVQPXMP-QGZVFWFLSA-N 1 0 322.452 4.336 20 30 DIEDRO CC#CCC[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001205136902 1049389925 /nfs/dbraw/zinc/38/99/25/1049389925.db2.gz LYCAFPOAJIGDBN-NSHDSACASA-N 1 0 303.755 4.293 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)ccc1F ZINC001205198218 1049409543 /nfs/dbraw/zinc/40/95/43/1049409543.db2.gz IGMRNBLVTWNDOY-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCC1 ZINC001180811173 1049410369 /nfs/dbraw/zinc/41/03/69/1049410369.db2.gz QVCGMQBADXHJLU-LJQANCHMSA-N 1 0 322.456 4.017 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1F ZINC001205243542 1049416518 /nfs/dbraw/zinc/41/65/18/1049416518.db2.gz JLQYAURFHKPYFU-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO CCCCCCCCOC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC001194753000 1049417179 /nfs/dbraw/zinc/41/71/79/1049417179.db2.gz XTHZREAIVVHTFR-UHFFFAOYSA-N 1 0 312.498 4.194 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CCC1 ZINC001194764942 1049427023 /nfs/dbraw/zinc/42/70/23/1049427023.db2.gz RKHASFVUOIHAQH-OAQYLSRUSA-N 1 0 324.468 4.320 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001181120100 1049441677 /nfs/dbraw/zinc/44/16/77/1049441677.db2.gz GNRIEIIMLGKBOJ-GOSISDBHSA-N 1 0 322.537 4.317 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N1CCC(n2ccnc2)CC1 ZINC001181121137 1049441752 /nfs/dbraw/zinc/44/17/52/1049441752.db2.gz DRULJJCQGVKWSQ-INIZCTEOSA-N 1 0 305.466 4.043 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N1CCC([NH+](CC)CC)CC1 ZINC001181121790 1049441930 /nfs/dbraw/zinc/44/19/30/1049441930.db2.gz HVWHPGWFYMQYEJ-KRWDZBQOSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001181132743 1049444581 /nfs/dbraw/zinc/44/45/81/1049444581.db2.gz HUJUKTQTWZKWPT-QGZVFWFLSA-N 1 0 322.537 4.493 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001181133477 1049444870 /nfs/dbraw/zinc/44/48/70/1049444870.db2.gz TWTRREDRXYAWJK-OAHLLOKOSA-N 1 0 308.441 4.114 20 30 DIEDRO CCCCCCCCCOC(=O)NC1CCC([NH+](C)C)CC1 ZINC001194921098 1049448943 /nfs/dbraw/zinc/44/89/43/1049448943.db2.gz VFSAMCMTAZLBLB-UHFFFAOYSA-N 1 0 312.498 4.336 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000486706408 1049456980 /nfs/dbraw/zinc/45/69/80/1049456980.db2.gz ZVPJDVPHXVVDDT-UHFFFAOYSA-N 1 0 307.359 4.369 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001181267924 1049458207 /nfs/dbraw/zinc/45/82/07/1049458207.db2.gz WOKZNDRPWIHHCX-OAHLLOKOSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001194994509 1049459779 /nfs/dbraw/zinc/45/97/79/1049459779.db2.gz XJYXSXADTNCDRB-SJORKVTESA-N 1 0 322.493 4.064 20 30 DIEDRO Cc1cc(CN(C)[C@H](C)c2c(F)cccc2F)ccc1C#N ZINC000486733564 1049463432 /nfs/dbraw/zinc/46/34/32/1049463432.db2.gz FLUIKTAFBFAXDI-CYBMUJFWSA-N 1 0 300.352 4.338 20 30 DIEDRO CCc1oc2ccccc2c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000486768784 1049466948 /nfs/dbraw/zinc/46/69/48/1049466948.db2.gz JFXFECCJAGKLTB-UHFFFAOYSA-N 1 0 304.393 4.499 20 30 DIEDRO Cc1cc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)ccc1C#N ZINC000486791237 1049471202 /nfs/dbraw/zinc/47/12/02/1049471202.db2.gz MAHOLJVVXBALLZ-UHFFFAOYSA-N 1 0 316.351 4.100 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000773923487 1049478580 /nfs/dbraw/zinc/47/85/80/1049478580.db2.gz QETHCUCPBGEZPN-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)cc1 ZINC000486802419 1049479147 /nfs/dbraw/zinc/47/91/47/1049479147.db2.gz ONOCJJLWHWNRQC-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC001205472134 1049479507 /nfs/dbraw/zinc/47/95/07/1049479507.db2.gz VTGRPGUQEMQQTM-CQSZACIVSA-N 1 0 306.400 4.306 20 30 DIEDRO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC001205479218 1049480634 /nfs/dbraw/zinc/48/06/34/1049480634.db2.gz WEBCESUYRFNPCG-HXUWFJFHSA-N 1 0 324.399 4.433 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)ccc1F ZINC001205479053 1049481615 /nfs/dbraw/zinc/48/16/15/1049481615.db2.gz QCURCJHDYPUQBD-KRWDZBQOSA-N 1 0 308.400 4.152 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205478917 1049481654 /nfs/dbraw/zinc/48/16/54/1049481654.db2.gz HFCLCPIROJDLKX-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO C#C[C@@H](CC)[NH2+]Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001181575285 1049491640 /nfs/dbraw/zinc/49/16/40/1049491640.db2.gz GLTCXJPVZKOWDC-LBPRGKRZSA-N 1 0 300.229 4.282 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](CC)CCc1ccc(Br)cc1)C(C)C ZINC001181578168 1049491906 /nfs/dbraw/zinc/49/19/06/1049491906.db2.gz XXIVBAYOBUYOQY-DLBZAZTESA-N 1 0 322.290 4.408 20 30 DIEDRO C=CCCCCCC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001181622210 1049496533 /nfs/dbraw/zinc/49/65/33/1049496533.db2.gz RLAPHIVIRCSHJI-UHFFFAOYSA-N 1 0 310.482 4.016 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205563765 1049499122 /nfs/dbraw/zinc/49/91/22/1049499122.db2.gz ZHLHOQLVECTOAT-UHFFFAOYSA-N 1 0 315.420 4.225 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2cc(C)cc(OC)c2O)CCCC1(C)C ZINC001205568204 1049499143 /nfs/dbraw/zinc/49/91/43/1049499143.db2.gz GOODBIOPJBLGAH-QGZVFWFLSA-N 1 0 303.446 4.276 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)Cc1ccc(Cl)cc1 ZINC001205576444 1049503775 /nfs/dbraw/zinc/50/37/75/1049503775.db2.gz XPRJFSNBCUIGPY-NJAFHUGGSA-N 1 0 307.865 4.232 20 30 DIEDRO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001195279001 1049507692 /nfs/dbraw/zinc/50/76/92/1049507692.db2.gz MCVBPBOZKZODEX-DOTOQJQBSA-N 1 0 315.417 4.113 20 30 DIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001195278910 1049508176 /nfs/dbraw/zinc/50/81/76/1049508176.db2.gz LMAORHSCWOBJCT-MOPGFXCFSA-N 1 0 314.473 4.474 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](OC)CC1)c1ccc(Cl)cc1F ZINC001181699101 1049510181 /nfs/dbraw/zinc/51/01/81/1049510181.db2.gz YZYWQAYWLFPCFO-ZQIUZPCESA-N 1 0 309.812 4.091 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](OC)CC1)c1ccc(Cl)cc1F ZINC001181699098 1049510214 /nfs/dbraw/zinc/51/02/14/1049510214.db2.gz YZYWQAYWLFPCFO-KEYYUXOJSA-N 1 0 309.812 4.091 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]CCCc1ccc(F)c(F)c1 ZINC001205650062 1049520614 /nfs/dbraw/zinc/52/06/14/1049520614.db2.gz CEYGLSXPRSNKBG-LJQANCHMSA-N 1 0 312.363 4.046 20 30 DIEDRO CC(C)c1ccc(O)c(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC001205650745 1049523139 /nfs/dbraw/zinc/52/31/39/1049523139.db2.gz SSFZTKDCEHRBJK-IBGZPJMESA-N 1 0 306.409 4.164 20 30 DIEDRO Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001205661581 1049525131 /nfs/dbraw/zinc/52/51/31/1049525131.db2.gz CQVIIYJRRQQXSO-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC001181828147 1049526980 /nfs/dbraw/zinc/52/69/80/1049526980.db2.gz RCJZBPSUDFDJNG-MLHJIOFPSA-N 1 0 319.493 4.105 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC001181828149 1049527931 /nfs/dbraw/zinc/52/79/31/1049527931.db2.gz RCJZBPSUDFDJNG-XWTMOSNGSA-N 1 0 319.493 4.105 20 30 DIEDRO C#CC[C@@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC001195463335 1049529846 /nfs/dbraw/zinc/52/98/46/1049529846.db2.gz LANZTIQAEMGMEK-GOSISDBHSA-N 1 0 324.493 4.164 20 30 DIEDRO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCC[C@H]1C ZINC000249347044 1049540266 /nfs/dbraw/zinc/54/02/66/1049540266.db2.gz JVBGABZRKMIBJW-PBHICJAKSA-N 1 0 324.428 4.009 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(C(F)(F)F)c1 ZINC001195508658 1049541330 /nfs/dbraw/zinc/54/13/30/1049541330.db2.gz KZCDFKBCYQZLCU-BBRMVZONSA-N 1 0 308.347 4.342 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)cc1 ZINC001205753393 1049555043 /nfs/dbraw/zinc/55/50/43/1049555043.db2.gz VJESSPLVWRXDMN-MSOLQXFVSA-N 1 0 317.473 4.323 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc1 ZINC001205753396 1049555065 /nfs/dbraw/zinc/55/50/65/1049555065.db2.gz VJESSPLVWRXDMN-ZWKOTPCHSA-N 1 0 317.473 4.323 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](c2ccccc2)C2CC2)C1 ZINC001182042701 1049562939 /nfs/dbraw/zinc/56/29/39/1049562939.db2.gz BNQHVOWSNGBZDE-ORFBVSJDSA-N 1 0 316.448 4.394 20 30 DIEDRO C#C[C@@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)c1ccc(F)cc1 ZINC001182020951 1049565034 /nfs/dbraw/zinc/56/50/34/1049565034.db2.gz RFVRULFNGJWUSD-DNOPENIRSA-N 1 0 315.338 4.314 20 30 DIEDRO N#Cc1cccc(OCC[NH+]2CCC(C3CCCCC3)CC2)c1 ZINC001195860427 1049574162 /nfs/dbraw/zinc/57/41/62/1049574162.db2.gz CAENWDYWVQVXET-UHFFFAOYSA-N 1 0 312.457 4.229 20 30 DIEDRO C#CCCCCCCCCC(=O)N1CCC([NH+](CC)CC)CC1 ZINC001182186232 1049584054 /nfs/dbraw/zinc/58/40/54/1049584054.db2.gz CGOLSVGLHKZBHD-UHFFFAOYSA-N 1 0 320.521 4.073 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OCC#N)[C@@H]1C ZINC000775674970 1049585021 /nfs/dbraw/zinc/58/50/21/1049585021.db2.gz LMPITAFOKKQKTB-IOASZLSFSA-N 1 0 306.837 4.157 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001196023089 1049604406 /nfs/dbraw/zinc/60/44/06/1049604406.db2.gz QQCFLDLZXYKTID-SJLPKXTDSA-N 1 0 307.865 4.064 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)cc1Cl ZINC001196055768 1049606079 /nfs/dbraw/zinc/60/60/79/1049606079.db2.gz HTFQXVRWVRRBLI-GOEBONIOSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001196058175 1049608228 /nfs/dbraw/zinc/60/82/28/1049608228.db2.gz YBTXUUCBKOAPGI-KBPBESRZSA-N 1 0 309.356 4.233 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000488251475 1049618819 /nfs/dbraw/zinc/61/88/19/1049618819.db2.gz QYHXBMNNBHXYAW-CQSZACIVSA-N 1 0 315.417 4.142 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000774187642 1049618789 /nfs/dbraw/zinc/61/87/89/1049618789.db2.gz GJKKSYOZIASAFI-MOPGFXCFSA-N 1 0 323.396 4.274 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H]1CCC12CCC2)c1ccc(Br)cc1 ZINC001205987942 1049619087 /nfs/dbraw/zinc/61/90/87/1049619087.db2.gz BCFRIBYTCZLDRH-HUUCEWRRSA-N 1 0 304.231 4.046 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000774187657 1049619469 /nfs/dbraw/zinc/61/94/69/1049619469.db2.gz GJKKSYOZIASAFI-RTBURBONSA-N 1 0 323.396 4.274 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccc(Br)cc1 ZINC001205987981 1049620362 /nfs/dbraw/zinc/62/03/62/1049620362.db2.gz BXEVXEVRBMHXAD-BLLLJJGKSA-N 1 0 306.247 4.292 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OCC(F)(F)F)nc2)CCCC1 ZINC001196149870 1049620667 /nfs/dbraw/zinc/62/06/67/1049620667.db2.gz JRYGRBPNIQIEDT-UHFFFAOYSA-N 1 0 314.351 4.001 20 30 DIEDRO CC[C@@H]([NH2+]CCCSc1nccs1)c1ccc(C#N)cc1 ZINC000774204182 1049623373 /nfs/dbraw/zinc/62/33/73/1049623373.db2.gz XEBXAGQKWCIYNZ-OAHLLOKOSA-N 1 0 317.483 4.238 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)cc1F ZINC001182369403 1049636614 /nfs/dbraw/zinc/63/66/14/1049636614.db2.gz MHDOBFLBODFHJU-UHFFFAOYSA-N 1 0 322.305 4.092 20 30 DIEDRO C[C@H]1CCC[C@@H](C2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)C1 ZINC000864054964 1049638315 /nfs/dbraw/zinc/63/83/15/1049638315.db2.gz FDICMIIMJOXDDV-FUHWJXTLSA-N 1 0 308.469 4.500 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000774265250 1049639791 /nfs/dbraw/zinc/63/97/91/1049639791.db2.gz JLMRMMVRWHVBDO-VQTJNVASSA-N 1 0 320.392 4.326 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1C(F)(F)F ZINC001196323470 1049641530 /nfs/dbraw/zinc/64/15/30/1049641530.db2.gz WBCRRCOZFYJLQN-OKILXGFUSA-N 1 0 311.347 4.267 20 30 DIEDRO CCOc1ccc(O)c(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000119876541 1049642946 /nfs/dbraw/zinc/64/29/46/1049642946.db2.gz OLPDRCRFRNHWIE-HNNXBMFYSA-N 1 0 324.424 4.246 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC001196329060 1049644044 /nfs/dbraw/zinc/64/40/44/1049644044.db2.gz KSCZCXMWMAHXSJ-KRWDZBQOSA-N 1 0 313.401 4.011 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@@H](O)c1ccccc1 ZINC000794601543 1049648583 /nfs/dbraw/zinc/64/85/83/1049648583.db2.gz VFQQWECECWCINV-MSOLQXFVSA-N 1 0 302.462 4.054 20 30 DIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)c(C)c2)s1 ZINC000488420120 1049650340 /nfs/dbraw/zinc/65/03/40/1049650340.db2.gz IEOGRWYAWHDNED-AWEZNQCLSA-N 1 0 313.470 4.387 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001206094927 1049651995 /nfs/dbraw/zinc/65/19/95/1049651995.db2.gz ZVDRDUHBRRYYNZ-UHFFFAOYSA-N 1 0 324.211 4.152 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000774447458 1049665012 /nfs/dbraw/zinc/66/50/12/1049665012.db2.gz HLRRVXUCHMPZOQ-FQEVSTJZSA-N 1 0 309.384 4.079 20 30 DIEDRO C=C(C)CC[N@@H+]1CC(C)(C)N(Cc2ccccc2)CC1(C)C ZINC001196499347 1049666244 /nfs/dbraw/zinc/66/62/44/1049666244.db2.gz XHMNKIOHYOAONG-UHFFFAOYSA-N 1 0 300.490 4.328 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC001196562556 1049673339 /nfs/dbraw/zinc/67/33/39/1049673339.db2.gz BFKLVMVKDKLJIB-HNNXBMFYSA-N 1 0 319.436 4.257 20 30 DIEDRO Cc1ccc(/C=C/c2ccccc2C2(C#N)CC[NH2+]CC2)cc1 ZINC001206167859 1049674189 /nfs/dbraw/zinc/67/41/89/1049674189.db2.gz CRCPYTQBLZZELB-ZHACJKMWSA-N 1 0 302.421 4.310 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC000774511299 1049684099 /nfs/dbraw/zinc/68/40/99/1049684099.db2.gz IFLOQEDUDDVXBN-XIRDDKMYSA-N 1 0 322.493 4.109 20 30 DIEDRO CC1(C)CCC(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)CC1 ZINC001196788560 1049688188 /nfs/dbraw/zinc/68/81/88/1049688188.db2.gz CSKMKJPYWKXPLF-FQEVSTJZSA-N 1 0 311.473 4.155 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000120255055 1049693189 /nfs/dbraw/zinc/69/31/89/1049693189.db2.gz JRIRDEQBCNIKEA-ZOBUZTSGSA-N 1 0 323.864 4.020 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC001182795574 1049710207 /nfs/dbraw/zinc/71/02/07/1049710207.db2.gz GKBJQEILFWEVOC-IRXDYDNUSA-N 1 0 324.509 4.071 20 30 DIEDRO CC(C)[PH+](CCNC(=O)[C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC001182799684 1049712383 /nfs/dbraw/zinc/71/23/83/1049712383.db2.gz KMGFHGNSZAPCAD-HNNXBMFYSA-N 1 0 318.401 4.077 20 30 DIEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC001206328267 1049713404 /nfs/dbraw/zinc/71/34/04/1049713404.db2.gz IJADGOUIRLVMNN-JHVJFLLYSA-N 1 0 320.436 4.301 20 30 DIEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC001206328270 1049714078 /nfs/dbraw/zinc/71/40/78/1049714078.db2.gz IJADGOUIRLVMNN-RVHYNSKXSA-N 1 0 320.436 4.301 20 30 DIEDRO C=CCCC[N@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197212986 1049728616 /nfs/dbraw/zinc/72/86/16/1049728616.db2.gz ZGEMENPTCUYAND-LJQANCHMSA-N 1 0 324.509 4.216 20 30 DIEDRO C#CCCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000150737703 1049753439 /nfs/dbraw/zinc/75/34/39/1049753439.db2.gz DEHXTRMQUGWBJU-UHFFFAOYSA-N 1 0 318.420 4.030 20 30 DIEDRO Cc1ccc(CNC(NCc2ccccc2)=[NH+]C(C)(C)C)s1 ZINC000912498483 1049753989 /nfs/dbraw/zinc/75/39/89/1049753989.db2.gz AAGHIUUPQPYOSN-UHFFFAOYSA-N 1 0 315.486 4.090 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000150820429 1049766760 /nfs/dbraw/zinc/76/67/60/1049766760.db2.gz AKJXMINEEXRPMQ-AWEZNQCLSA-N 1 0 316.445 4.038 20 30 DIEDRO CCCCCCCCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150839815 1049770135 /nfs/dbraw/zinc/77/01/35/1049770135.db2.gz FISGNNZGAXXCKU-SFHVURJKSA-N 1 0 308.510 4.214 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000150901402 1049778707 /nfs/dbraw/zinc/77/87/07/1049778707.db2.gz GQIQHFCVDDDKMF-UHFFFAOYSA-N 1 0 314.473 4.101 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1(C#N)CCCCC1 ZINC001206694701 1049781366 /nfs/dbraw/zinc/78/13/66/1049781366.db2.gz JTKRVKAXXQJPCD-ZDUSSCGKSA-N 1 0 308.828 4.474 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC001206727457 1049785386 /nfs/dbraw/zinc/78/53/86/1049785386.db2.gz IAQDEGQWKQEILB-HKBOAZHASA-N 1 0 311.469 4.121 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCCC[C@H](c2ccccc2)C1)C1CCOCC1 ZINC001206727455 1049785666 /nfs/dbraw/zinc/78/56/66/1049785666.db2.gz IAQDEGQWKQEILB-ACRUOGEOSA-N 1 0 311.469 4.121 20 30 DIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000490037071 1049795319 /nfs/dbraw/zinc/79/53/19/1049795319.db2.gz HXRBGZQLONUGBX-SFHVURJKSA-N 1 0 314.816 4.031 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001206777926 1049798525 /nfs/dbraw/zinc/79/85/25/1049798525.db2.gz XEBRNLUXNFFOEX-RDJZCZTQSA-N 1 0 316.445 4.498 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC001206800776 1049801730 /nfs/dbraw/zinc/80/17/30/1049801730.db2.gz MUEROUULCQTION-QGZVFWFLSA-N 1 0 323.411 4.250 20 30 DIEDRO C=CC[N@@H+](Cc1cc(-c2ccc(OC)cc2)on1)C(C)(C)C ZINC001206831483 1049807355 /nfs/dbraw/zinc/80/73/55/1049807355.db2.gz QAPYVENYEARFKF-UHFFFAOYSA-N 1 0 300.402 4.137 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912869002 1049812453 /nfs/dbraw/zinc/81/24/53/1049812453.db2.gz OBFOSPGMVXALPR-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000490428088 1049828275 /nfs/dbraw/zinc/82/82/75/1049828275.db2.gz CMJIESLAYQPOKY-DOTOQJQBSA-N 1 0 315.461 4.069 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCC2)C1 ZINC001207176135 1049850132 /nfs/dbraw/zinc/85/01/32/1049850132.db2.gz YIQKTYDENIFFME-PBHICJAKSA-N 1 0 302.849 4.434 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)CC2 ZINC001207179185 1049850923 /nfs/dbraw/zinc/85/09/23/1049850923.db2.gz BLGNGOZNJDKYHQ-UYAOXDASSA-N 1 0 322.839 4.373 20 30 DIEDRO CCCCCCC[N@H+](C)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207266649 1049872829 /nfs/dbraw/zinc/87/28/29/1049872829.db2.gz NSHGPPBZXRKJMC-UHFFFAOYSA-N 1 0 324.509 4.336 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)cc1C#N ZINC001207311153 1049878713 /nfs/dbraw/zinc/87/87/13/1049878713.db2.gz AOVBWDCVUNGOQR-CTNGQTDRSA-N 1 0 320.436 4.167 20 30 DIEDRO N#CCC1CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001207322412 1049878727 /nfs/dbraw/zinc/87/87/27/1049878727.db2.gz OTZJWAWSSNHRQL-UHFFFAOYSA-N 1 0 321.262 4.007 20 30 DIEDRO CCCCCCC[N@H+](C)CCc1c(Cl)ncnc1Cl ZINC001207327798 1049880991 /nfs/dbraw/zinc/88/09/91/1049880991.db2.gz MBBPVGNWFIJQRV-UHFFFAOYSA-N 1 0 304.265 4.228 20 30 DIEDRO CCCCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C ZINC000491113714 1049885353 /nfs/dbraw/zinc/88/53/53/1049885353.db2.gz MNJRECZXHQBQDW-UHFFFAOYSA-N 1 0 324.472 4.359 20 30 DIEDRO N#CCC[N@@H+](CCc1ccc(Br)cc1)C1CCCC1 ZINC001207382923 1049886370 /nfs/dbraw/zinc/88/63/70/1049886370.db2.gz WENPHPOVWKQUPF-UHFFFAOYSA-N 1 0 321.262 4.150 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC001207448204 1049893862 /nfs/dbraw/zinc/89/38/62/1049893862.db2.gz IHKTUQZFPKJHIC-UHFFFAOYSA-N 1 0 303.446 4.414 20 30 DIEDRO C=C1CCC(C[NH2+][C@H](CC)Cc2ccc(OC)c(OC)c2)CC1 ZINC001207494212 1049899479 /nfs/dbraw/zinc/89/94/79/1049899479.db2.gz WUOZNDLKRWHIRW-GOSISDBHSA-N 1 0 317.473 4.361 20 30 DIEDRO N#CCC[N@@H+](CCc1cccc(Br)c1)C1CCCC1 ZINC001207504901 1049900409 /nfs/dbraw/zinc/90/04/09/1049900409.db2.gz KTVFAYYCPLAAIH-UHFFFAOYSA-N 1 0 321.262 4.150 20 30 DIEDRO Cc1cccc(CC[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001207536957 1049907728 /nfs/dbraw/zinc/90/77/28/1049907728.db2.gz TVOPPBKPQNHYEP-UHFFFAOYSA-N 1 0 304.437 4.289 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001207583681 1049911091 /nfs/dbraw/zinc/91/10/91/1049911091.db2.gz JLHALHNTRSGGFC-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)c(F)c1 ZINC000187770891 1049911180 /nfs/dbraw/zinc/91/11/80/1049911180.db2.gz IYQRHSGBQVDTNB-MSOLQXFVSA-N 1 0 321.342 4.044 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2CCC3(CCCCC3)CC2)n1 ZINC001207685249 1049927653 /nfs/dbraw/zinc/92/76/53/1049927653.db2.gz NVHIXDNUHIQSNH-UHFFFAOYSA-N 1 0 303.475 4.245 20 30 DIEDRO CCC(CC)([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000571222209 1049927918 /nfs/dbraw/zinc/92/79/18/1049927918.db2.gz FSQKFAJWKXTHSH-UHFFFAOYSA-N 1 0 313.832 4.412 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)c2ccccc2O)c1 ZINC000156592376 1049934009 /nfs/dbraw/zinc/93/40/09/1049934009.db2.gz NZEAUYVVVRWGQJ-APWZRJJASA-N 1 0 324.424 4.314 20 30 DIEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000571569296 1049937495 /nfs/dbraw/zinc/93/74/95/1049937495.db2.gz YKTHCLJIIADVTA-WBVHZDCISA-N 1 0 316.445 4.141 20 30 DIEDRO Cc1[nH]c2ccccc2c1SCC[NH2+]C[C@@H](C)CCC#N ZINC001207854971 1049947390 /nfs/dbraw/zinc/94/73/90/1049947390.db2.gz PSOXUQKEQTVURL-ZDUSSCGKSA-N 1 0 301.459 4.098 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001207898958 1049950089 /nfs/dbraw/zinc/95/00/89/1049950089.db2.gz IMTGIXWHCSISFX-UHFFFAOYSA-N 1 0 320.521 4.428 20 30 DIEDRO C[C@@H](C[NH+]1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC001207911612 1049951989 /nfs/dbraw/zinc/95/19/89/1049951989.db2.gz FXMNQOMMZMVSBV-KRWDZBQOSA-N 1 0 320.436 4.205 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(n2cnnc2)CC1 ZINC001207899757 1049952139 /nfs/dbraw/zinc/95/21/39/1049952139.db2.gz LEPRZAQYEIUPON-UHFFFAOYSA-N 1 0 304.482 4.222 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)sc2C)c1 ZINC000760675538 1049957686 /nfs/dbraw/zinc/95/76/86/1049957686.db2.gz RYWOAXXIDYOJEJ-KRWDZBQOSA-N 1 0 314.454 4.336 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CCCC1CCCC1)CCO2 ZINC001208091311 1049972882 /nfs/dbraw/zinc/97/28/82/1049972882.db2.gz WPCBBKVRXDWWIS-VQTJNVASSA-N 1 0 321.505 4.031 20 30 DIEDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000588204790 1049975417 /nfs/dbraw/zinc/97/54/17/1049975417.db2.gz QQRFJFCTMINPOG-OXJNMPFZSA-N 1 0 319.452 4.466 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC2(CCC(=O)N2CC)CC1 ZINC001208120195 1049975620 /nfs/dbraw/zinc/97/56/20/1049975620.db2.gz NKHQKAPIJYCFNJ-ZHACJKMWSA-N 1 0 320.521 4.380 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC2(CCN(C(C)=O)C2)CC1 ZINC001208120782 1049975666 /nfs/dbraw/zinc/97/56/66/1049975666.db2.gz TYVNZXKEXTULQS-MDZDMXLPSA-N 1 0 320.521 4.238 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000588231358 1049976378 /nfs/dbraw/zinc/97/63/78/1049976378.db2.gz KJDDVGOQUHSDEN-KOLCDFICSA-N 1 0 318.289 4.156 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000588231653 1049977009 /nfs/dbraw/zinc/97/70/09/1049977009.db2.gz NYKWKCPEGOCPTF-HNNXBMFYSA-N 1 0 321.262 4.356 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2CCc3cnc(C4CC4)nc3C2)CC1 ZINC001208179128 1049982291 /nfs/dbraw/zinc/98/22/91/1049982291.db2.gz LFMIUECZDXHLEG-MRXNPFEDSA-N 1 0 309.457 4.015 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@@H+](C)Cc2cccc(OC)c2OC)CC1 ZINC001208178831 1049982302 /nfs/dbraw/zinc/98/23/02/1049982302.db2.gz XRFDOAXHGSIICH-QGZVFWFLSA-N 1 0 315.457 4.438 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CCc3cccc(F)c3)CC2)cc1 ZINC001208201910 1049984683 /nfs/dbraw/zinc/98/46/83/1049984683.db2.gz PCDYDDBJLVLOPC-UHFFFAOYSA-N 1 0 308.400 4.119 20 30 DIEDRO C[N@H+](CCCCCOCc1ccccc1)Cc1ccc(C#N)cc1 ZINC001208812201 1050012265 /nfs/dbraw/zinc/01/22/65/1050012265.db2.gz FBELDUOHHRAROY-UHFFFAOYSA-N 1 0 322.452 4.377 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001208831882 1050013540 /nfs/dbraw/zinc/01/35/40/1050013540.db2.gz VHQRVAFXLGSBMO-AWEZNQCLSA-N 1 0 310.363 4.264 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccccc1C(F)(F)F ZINC001208832024 1050014363 /nfs/dbraw/zinc/01/43/63/1050014363.db2.gz WXEOYIJDPRENAA-MKZZRHPPSA-N 1 0 322.374 4.405 20 30 DIEDRO N#Cc1cccc(CCC[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC001208844605 1050016101 /nfs/dbraw/zinc/01/61/01/1050016101.db2.gz KRRJTTHPYJKBHW-UHFFFAOYSA-N 1 0 320.436 4.034 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC001208857193 1050017362 /nfs/dbraw/zinc/01/73/62/1050017362.db2.gz XHOBAJMFQHGKDV-FQEVSTJZSA-N 1 0 308.400 4.467 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CC1(C)CCCCC1)C2 ZINC001208896840 1050021285 /nfs/dbraw/zinc/02/12/85/1050021285.db2.gz QPLDEKBTXJTWGH-ICSRJNTNSA-N 1 0 321.505 4.031 20 30 DIEDRO COC[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000589160062 1050022829 /nfs/dbraw/zinc/02/28/29/1050022829.db2.gz MUCCYNAVJALESY-HRAATJIYSA-N 1 0 320.436 4.083 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)Cc1cccc2ccccc21 ZINC001208926313 1050023448 /nfs/dbraw/zinc/02/34/48/1050023448.db2.gz FHIUNJPGVAYSBV-UHFFFAOYSA-N 1 0 300.405 4.386 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000589184368 1050024245 /nfs/dbraw/zinc/02/42/45/1050024245.db2.gz WPUDALOTLATCCO-GUDVDZBRSA-N 1 0 308.450 4.388 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(c3ccc(F)cc3)CCC1)CC2 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C=CCCCCCCCC[N@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001209444684 1050060027 /nfs/dbraw/zinc/06/00/27/1050060027.db2.gz XYEJVRNOIXGZAN-HXUWFJFHSA-N 1 0 320.521 4.380 20 30 DIEDRO N#CCCN(CCC[NH+]1CCCCC1)C1CCCCCCC1 ZINC001209449113 1050060038 /nfs/dbraw/zinc/06/00/38/1050060038.db2.gz SEXMPVUPCIQVNI-UHFFFAOYSA-N 1 0 305.510 4.191 20 30 DIEDRO C=CCCCCCCCC[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001209445630 1050060232 /nfs/dbraw/zinc/06/02/32/1050060232.db2.gz LRTPOEDOVLWJLU-MRXNPFEDSA-N 1 0 301.421 4.403 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC2(CCC(=O)N2CC)CC1 ZINC001209442961 1050060611 /nfs/dbraw/zinc/06/06/11/1050060611.db2.gz JCGPSUHNIFCWLG-UHFFFAOYSA-N 1 0 320.521 4.380 20 30 DIEDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC001209518923 1050065820 /nfs/dbraw/zinc/06/58/20/1050065820.db2.gz WLBFPEGAIBOGRQ-UHFFFAOYSA-N 1 0 307.441 4.220 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000760762418 1050074061 /nfs/dbraw/zinc/07/40/61/1050074061.db2.gz MTYCXIWLZCTKBO-GOSISDBHSA-N 1 0 310.526 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N#CCCCC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000057626609 1050103731 /nfs/dbraw/zinc/10/37/31/1050103731.db2.gz AHQNVSQKWJCYPU-INIZCTEOSA-N 1 0 302.468 4.451 20 30 DIEDRO CC(C)c1ccc(OC2CC[NH+]([C@@H](C)CCC#N)CC2)cc1 ZINC000591011264 1050118954 /nfs/dbraw/zinc/11/89/54/1050118954.db2.gz DOQBYCJXSMMCNK-INIZCTEOSA-N 1 0 300.446 4.345 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000591021364 1050121716 /nfs/dbraw/zinc/12/17/16/1050121716.db2.gz BHACUECUHICKCR-MRXNPFEDSA-N 1 0 300.450 4.028 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000591241469 1050131919 /nfs/dbraw/zinc/13/19/19/1050131919.db2.gz XGGBOUVOUCJALM-XUJLQICISA-N 1 0 302.849 4.117 20 30 DIEDRO C[N@H+](Cc1ccccc1Nc1cccnc1C#N)C1CCCCC1 ZINC001210148537 1050143985 /nfs/dbraw/zinc/14/39/85/1050143985.db2.gz LEOMOGXWXQAUKL-UHFFFAOYSA-N 1 0 320.440 4.461 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4c(Cl)cccc4C3)CC2)cc1 ZINC001171027231 1050150160 /nfs/dbraw/zinc/15/01/60/1050150160.db2.gz RGTNBJFAVKRTGF-QGZVFWFLSA-N 1 0 322.839 4.348 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3CCc4c(Cl)cccc4C3)(CC1)CC2 ZINC001171027393 1050152018 /nfs/dbraw/zinc/15/20/18/1050152018.db2.gz SIZTVADTKUVYLW-MNNVXMFVSA-N 1 0 314.860 4.403 20 30 DIEDRO CC[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000770390106 1050153969 /nfs/dbraw/zinc/15/39/69/1050153969.db2.gz KDNALUZYDRUFDP-GHTZIAJQSA-N 1 0 320.436 4.125 20 30 DIEDRO CC(C)CC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000770350256 1050154683 /nfs/dbraw/zinc/15/46/83/1050154683.db2.gz GQOAQRCRZMOGED-INIZCTEOSA-N 1 0 300.446 4.236 20 30 DIEDRO Cc1cc(Nc2ccc(CC[NH+]3CCCCC3)cc2)cnc1C#N ZINC001210208556 1050158594 /nfs/dbraw/zinc/15/85/94/1050158594.db2.gz LPXKFFJFWHSUAZ-UHFFFAOYSA-N 1 0 320.440 4.034 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](CC)C2CCC2)ccc1OC ZINC000823848303 1050161148 /nfs/dbraw/zinc/16/11/48/1050161148.db2.gz RXXFODJCXFZQBV-IAGOWNOFSA-N 1 0 316.445 4.044 20 30 DIEDRO CC[N@@H+](c1ccc(NCc2ccc(OC)c(C#N)c2)cc1)C(C)C 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20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001136839692 1050191468 /nfs/dbraw/zinc/19/14/68/1050191468.db2.gz RIQFBHFRAPBWBZ-MSOLQXFVSA-N 1 0 310.526 4.173 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)nc1 ZINC000824231352 1050191665 /nfs/dbraw/zinc/19/16/65/1050191665.db2.gz MXEJSMRYVCSAQB-DOTOQJQBSA-N 1 0 311.816 4.033 20 30 DIEDRO Cc1ccc2c(NC(=N)c3ccc4ccccc4n3)cc[nH+]c2c1 ZINC001171051207 1050193197 /nfs/dbraw/zinc/19/31/97/1050193197.db2.gz KKKKSURHFLPBFC-UHFFFAOYSA-N 1 0 312.376 4.128 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000591761354 1050200653 /nfs/dbraw/zinc/20/06/53/1050200653.db2.gz CGDXCCLTOPVWPR-IIBYNOLFSA-N 1 0 315.420 4.374 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1F ZINC000824371304 1050203647 /nfs/dbraw/zinc/20/36/47/1050203647.db2.gz YVYPKPHFONKXAY-BLDCVEFLSA-N 1 0 304.796 4.215 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccnc(Cl)c1F)c1ccccc1 ZINC000824432790 1050208697 /nfs/dbraw/zinc/20/86/97/1050208697.db2.gz CEYUKNLHTASEAG-OAHLLOKOSA-N 1 0 317.795 4.399 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2C)cc1 ZINC000734005155 1050211495 /nfs/dbraw/zinc/21/14/95/1050211495.db2.gz XXHFNMBDRXAUJA-JZXOWHBKSA-N 1 0 300.446 4.283 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171055609 1050212041 /nfs/dbraw/zinc/21/20/41/1050212041.db2.gz IJBAWLWMCVAEAX-QGZVFWFLSA-N 1 0 310.828 4.201 20 30 DIEDRO Cc1cc(C#N)ccc1Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001210376146 1050223965 /nfs/dbraw/zinc/22/39/65/1050223965.db2.gz KNESFWRSKVSYNQ-UHFFFAOYSA-N 1 0 321.424 4.083 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000591839112 1050225317 /nfs/dbraw/zinc/22/53/17/1050225317.db2.gz MKLRGOPGBXHZRH-CRAIPNDOSA-N 1 0 306.409 4.117 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC001136901693 1050225613 /nfs/dbraw/zinc/22/56/13/1050225613.db2.gz LVCZSSBNBATGTM-INIZCTEOSA-N 1 0 322.880 4.051 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2Nc1cccc(C2=[NH+]CCC2)c1 ZINC001171063618 1050238616 /nfs/dbraw/zinc/23/86/16/1050238616.db2.gz OLGQFMCSRFZVKD-HXUWFJFHSA-N 1 0 301.393 4.241 20 30 DIEDRO C=C(C)CC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000824743961 1050244633 /nfs/dbraw/zinc/24/46/33/1050244633.db2.gz SXGGJCXFQDBABV-UHFFFAOYSA-N 1 0 311.248 4.115 20 30 DIEDRO Cc1cccc(C2=CC[N@H+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000771462992 1050252518 /nfs/dbraw/zinc/25/25/18/1050252518.db2.gz IKEUHEZALTZYQO-UHFFFAOYSA-N 1 0 318.420 4.187 20 30 DIEDRO C=CCC[N@@H+](Cc1cnc2c(C)cccn12)Cc1ccccc1 ZINC001136964236 1050257255 /nfs/dbraw/zinc/25/72/55/1050257255.db2.gz DLBLHLKYGLYGGJ-UHFFFAOYSA-N 1 0 305.425 4.221 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)o1 ZINC001171072013 1050261090 /nfs/dbraw/zinc/26/10/90/1050261090.db2.gz HSRGRCOSTLEPAR-GFCCVEGCSA-N 1 0 321.207 4.105 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000824955780 1050261888 /nfs/dbraw/zinc/26/18/88/1050261888.db2.gz ZFDAAXOTAQMXKN-UHOSZYNNSA-N 1 0 302.462 4.416 20 30 DIEDRO N#Cc1cnccc1C[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000592068129 1050268216 /nfs/dbraw/zinc/26/82/16/1050268216.db2.gz IQTYONQWYLYUCM-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO CCCc1ccc([C@@H]([NH2+]Cc2ccncc2C#N)C(C)C)cc1 ZINC000592073078 1050268417 /nfs/dbraw/zinc/26/84/17/1050268417.db2.gz AVGVOYIWCKIKAL-FQEVSTJZSA-N 1 0 307.441 4.393 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592071612 1050269012 /nfs/dbraw/zinc/26/90/12/1050269012.db2.gz LFBZODIPBXCSOY-UONOGXRCSA-N 1 0 313.832 4.231 20 30 DIEDRO C#CC[N@@H+](Cc1c[nH]c2cccc(F)c12)[C@@H]1CCc2ccccc21 ZINC001136985462 1050273632 /nfs/dbraw/zinc/27/36/32/1050273632.db2.gz HTRBRCSZDSCXNY-HXUWFJFHSA-N 1 0 318.395 4.430 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000734487373 1050276004 /nfs/dbraw/zinc/27/60/04/1050276004.db2.gz RATMYMKXXZVOPG-YLJYHZDGSA-N 1 0 320.436 4.205 20 30 DIEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C(C)(C)C ZINC000734509946 1050278575 /nfs/dbraw/zinc/27/85/75/1050278575.db2.gz UBUSHOIIEHHPLY-MRXNPFEDSA-N 1 0 324.472 4.236 20 30 DIEDRO C[C@H]1CCC[C@@H](CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000734508689 1050278874 /nfs/dbraw/zinc/27/88/74/1050278874.db2.gz BVFQMHJMKDLFLH-ROUUACIJSA-N 1 0 313.489 4.342 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2cccc(C)c2)CCC1 ZINC000592145786 1050279648 /nfs/dbraw/zinc/27/96/48/1050279648.db2.gz AYUYZTWGTRUBSF-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2cccc(C)c2)CCC1 ZINC000592145787 1050280688 /nfs/dbraw/zinc/28/06/88/1050280688.db2.gz AZMQCDDLBOTALT-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(COc3ccc(F)cc3)cc2)C1 ZINC000592395268 1050291550 /nfs/dbraw/zinc/29/15/50/1050291550.db2.gz VJTIPCDJGMNBBA-HKUYNNGSSA-N 1 0 324.399 4.187 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)c1ccc(C#N)cc1 ZINC000592392554 1050291783 /nfs/dbraw/zinc/29/17/83/1050291783.db2.gz KUGLUBLWFNPURY-RHSMWYFYSA-N 1 0 324.449 4.152 20 30 DIEDRO COc1ccccc1C1([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000592393416 1050293003 /nfs/dbraw/zinc/29/30/03/1050293003.db2.gz HWXQNINYQNVXBM-IBGZPJMESA-N 1 0 318.420 4.223 20 30 DIEDRO C=C(Br)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000734637298 1050295210 /nfs/dbraw/zinc/29/52/10/1050295210.db2.gz DNZQBEKSRPEPSD-UHFFFAOYSA-N 1 0 322.168 4.439 20 30 DIEDRO COc1ccc([C@H](CC(C)C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000592389756 1050296626 /nfs/dbraw/zinc/29/66/26/1050296626.db2.gz FLMZGPHFPIIVFS-IEZWGBDMSA-N 1 0 300.446 4.454 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2(CF)CCC2)c1 ZINC000592379232 1050297305 /nfs/dbraw/zinc/29/73/05/1050297305.db2.gz LBOYACDATAUWJB-UHFFFAOYSA-N 1 0 324.399 4.119 20 30 DIEDRO Cc1cc(O)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1Cl ZINC000825371472 1050300408 /nfs/dbraw/zinc/30/04/08/1050300408.db2.gz XOVBVZNXZNLPGV-UHFFFAOYSA-N 1 0 312.800 4.005 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001143711987 1050343019 /nfs/dbraw/zinc/34/30/19/1050343019.db2.gz OEPLDHMLRRMCPU-UHFFFAOYSA-N 1 0 316.754 4.484 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)ccc2F)c1 ZINC000735084872 1050344862 /nfs/dbraw/zinc/34/48/62/1050344862.db2.gz VRUAHYXUJAZHKL-QGZVFWFLSA-N 1 0 312.388 4.105 20 30 DIEDRO N#Cc1cc(F)c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC001210713510 1050345315 /nfs/dbraw/zinc/34/53/15/1050345315.db2.gz ZYZKAXYJGTYHHY-CQSZACIVSA-N 1 0 319.811 4.295 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2cccs2)cc1 ZINC000735085965 1050345998 /nfs/dbraw/zinc/34/59/98/1050345998.db2.gz LFGNFERCNDMEKJ-CYBMUJFWSA-N 1 0 300.427 4.064 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000735086661 1050346605 /nfs/dbraw/zinc/34/66/05/1050346605.db2.gz QTSOSBWPAPCCLJ-LBPRGKRZSA-N 1 0 321.827 4.087 20 30 DIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc1 ZINC000805914976 1050352589 /nfs/dbraw/zinc/35/25/89/1050352589.db2.gz UNKTVTTVSMJLPV-KRWDZBQOSA-N 1 0 316.445 4.014 20 30 DIEDRO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC1CCCCC1 ZINC000735305731 1050367309 /nfs/dbraw/zinc/36/73/09/1050367309.db2.gz DAPNJABEDUTVCN-UHFFFAOYSA-N 1 0 306.837 4.254 20 30 DIEDRO CO[C@@H](C#N)c1ccc(-c2cc(C[NH+]3CCCC3)ccc2F)cc1 ZINC000844229933 1050380419 /nfs/dbraw/zinc/38/04/19/1050380419.db2.gz DNADFDIJHVHCCY-FQEVSTJZSA-N 1 0 324.399 4.300 20 30 DIEDRO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)CCCCC#N ZINC000593105091 1050380601 /nfs/dbraw/zinc/38/06/01/1050380601.db2.gz MNRYLKAJRJKLRT-OAHLLOKOSA-N 1 0 306.837 4.352 20 30 DIEDRO CCn1cc(C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C(C)C)cn1 ZINC000593078695 1050381855 /nfs/dbraw/zinc/38/18/55/1050381855.db2.gz CBFBUUSEGHASPI-UHFFFAOYSA-N 1 0 324.472 4.115 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)CC2CCCCC2)cc1 ZINC000785545799 1050387785 /nfs/dbraw/zinc/38/77/85/1050387785.db2.gz WHRMLMDRFJAFME-HZPDHXFCSA-N 1 0 300.446 4.426 20 30 DIEDRO COc1cccc2cc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)oc21 ZINC000785617832 1050399402 /nfs/dbraw/zinc/39/94/02/1050399402.db2.gz WASYZOCFHWMVNF-GOSISDBHSA-N 1 0 318.376 4.090 20 30 DIEDRO CCc1cccc(C)c1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001210875050 1050404229 /nfs/dbraw/zinc/40/42/29/1050404229.db2.gz QFXYPYWGERJXDB-UHFFFAOYSA-N 1 0 311.454 4.222 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000785781942 1050413668 /nfs/dbraw/zinc/41/36/68/1050413668.db2.gz PTCGKBBSQXFWPY-MRXNPFEDSA-N 1 0 300.446 4.210 20 30 DIEDRO CCCCCCCCCCC(=O)N1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1 ZINC001143983125 1050419657 /nfs/dbraw/zinc/41/96/57/1050419657.db2.gz ZUPDTVISCLSPGN-HDICACEKSA-N 1 0 310.526 4.458 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000058829397 1050428072 /nfs/dbraw/zinc/42/80/72/1050428072.db2.gz RQHSACWOCXKPSA-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Oc3ccccc3F)c2)C1 ZINC000593642354 1050429724 /nfs/dbraw/zinc/42/97/24/1050429724.db2.gz HBJWWWQJOGABSS-GDBMZVCRSA-N 1 0 310.372 4.400 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2ccccc2)cn1 ZINC000593631756 1050429918 /nfs/dbraw/zinc/42/99/18/1050429918.db2.gz NLGPCZMMWXEYGK-GJYPPUQNSA-N 1 0 305.425 4.482 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cc2cnccc2o1)c1ccccc1 ZINC000593628533 1050430120 /nfs/dbraw/zinc/43/01/20/1050430120.db2.gz ADORSSZTDGATBF-SFHVURJKSA-N 1 0 305.381 4.353 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)c1 ZINC000766214418 1050433698 /nfs/dbraw/zinc/43/36/98/1050433698.db2.gz ORRRFIDLCWAART-KYJSFNMBSA-N 1 0 300.446 4.282 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000593717209 1050436903 /nfs/dbraw/zinc/43/69/03/1050436903.db2.gz ZNFJJDZHKRECHW-QWHCGFSZSA-N 1 0 319.246 4.110 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000783325283 1050443551 /nfs/dbraw/zinc/44/35/51/1050443551.db2.gz IDMWIVUNKSKFFI-YHUYYLMFSA-N 1 0 310.482 4.013 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000574420603 1050455368 /nfs/dbraw/zinc/45/53/68/1050455368.db2.gz JGZJDJHJVLDBAV-QUCCMNQESA-N 1 0 303.409 4.004 20 30 DIEDRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1cncc(C#N)c1 ZINC001144084882 1050463051 /nfs/dbraw/zinc/46/30/51/1050463051.db2.gz RBLAFCRWNAAEGQ-OAHLLOKOSA-N 1 0 301.393 4.299 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000594053478 1050473323 /nfs/dbraw/zinc/47/33/23/1050473323.db2.gz BLBYGBATMXQZLS-KRWDZBQOSA-N 1 0 311.429 4.268 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(CCCc3ccccc3)CC2)nc1 ZINC001144154011 1050483369 /nfs/dbraw/zinc/48/33/69/1050483369.db2.gz VKWAOBSGPSXCSR-UHFFFAOYSA-N 1 0 319.452 4.188 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2cc(C(F)(F)F)ccc2C#N)cc1 ZINC001211130974 1050490405 /nfs/dbraw/zinc/49/04/05/1050490405.db2.gz HQSNBJDCKAWHJF-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@@H](F)C2)ccc1OC ZINC000574571657 1050497547 /nfs/dbraw/zinc/49/75/47/1050497547.db2.gz LOPUMUGEIQZDBA-CVEARBPZSA-N 1 0 307.409 4.020 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC000766221978 1050498426 /nfs/dbraw/zinc/49/84/26/1050498426.db2.gz GZVHBFHFURPUMC-MRXNPFEDSA-N 1 0 303.446 4.184 20 30 DIEDRO CCCCCCCCCCCC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001273352675 1050507168 /nfs/dbraw/zinc/50/71/68/1050507168.db2.gz WKTAPOGROKJLTJ-MSOLQXFVSA-N 1 0 308.510 4.070 20 30 DIEDRO CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594425026 1050516432 /nfs/dbraw/zinc/51/64/32/1050516432.db2.gz IZVJSYFXZWYCQY-QGZVFWFLSA-N 1 0 315.461 4.283 20 30 DIEDRO CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425025 1050516853 /nfs/dbraw/zinc/51/68/53/1050516853.db2.gz IZVJSYFXZWYCQY-KRWDZBQOSA-N 1 0 315.461 4.283 20 30 DIEDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499684 1050517917 /nfs/dbraw/zinc/51/79/17/1050517917.db2.gz PXBSASIWJAHOMV-IBGZPJMESA-N 1 0 320.436 4.328 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000594495888 1050518752 /nfs/dbraw/zinc/51/87/52/1050518752.db2.gz DWDFOPSFOQSSHJ-LJQANCHMSA-N 1 0 308.400 4.404 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000594498696 1050518885 /nfs/dbraw/zinc/51/88/85/1050518885.db2.gz SURYCBNLOCRKQU-NJDAHSKKSA-N 1 0 316.448 4.163 20 30 DIEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000594494804 1050519588 /nfs/dbraw/zinc/51/95/88/1050519588.db2.gz HKVNUZKLPMNSAE-KDOFPFPSSA-N 1 0 308.425 4.494 20 30 DIEDRO Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H]1CCc3cc(C#N)ccc31)CC2 ZINC000594500307 1050521272 /nfs/dbraw/zinc/52/12/72/1050521272.db2.gz MUPYUDGCKSQBAO-VQTJNVASSA-N 1 0 302.421 4.440 20 30 DIEDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594506565 1050521912 /nfs/dbraw/zinc/52/19/12/1050521912.db2.gz BQEZOHRZEUETLT-MJGOQNOKSA-N 1 0 314.473 4.029 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(C#N)c1 ZINC000594516866 1050525021 /nfs/dbraw/zinc/52/50/21/1050525021.db2.gz GRTXZBDTTNFDAV-OAHLLOKOSA-N 1 0 301.393 4.160 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(C#N)cc1 ZINC000594516061 1050525196 /nfs/dbraw/zinc/52/51/96/1050525196.db2.gz ANBBDPABEBUGAO-HNNXBMFYSA-N 1 0 301.393 4.160 20 30 DIEDRO N#CC1CC[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171156738 1050526321 /nfs/dbraw/zinc/52/63/21/1050526321.db2.gz DUXVUMPQFTWAJR-CQSZACIVSA-N 1 0 309.240 4.086 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594515612 1050526568 /nfs/dbraw/zinc/52/65/68/1050526568.db2.gz OOMSIVLZMBDIRI-OAHLLOKOSA-N 1 0 306.409 4.297 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc4cc[nH]c43)CCC2)cc1 ZINC000594517943 1050528860 /nfs/dbraw/zinc/52/88/60/1050528860.db2.gz DZCCWSWKDGNWMR-UHFFFAOYSA-N 1 0 301.393 4.209 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3coc4ccccc34)CCC2)cc1 ZINC000594519921 1050528927 /nfs/dbraw/zinc/52/89/27/1050528927.db2.gz MQLISXRMJXHLSO-UHFFFAOYSA-N 1 0 302.377 4.473 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C3CCC4(CCOCC4)CC3)CCC2)cc1 ZINC000594517492 1050529005 /nfs/dbraw/zinc/52/90/05/1050529005.db2.gz VSUOTNOMMGLYDQ-UHFFFAOYSA-N 1 0 324.468 4.266 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)cc1 ZINC000594525578 1050531501 /nfs/dbraw/zinc/53/15/01/1050531501.db2.gz VQCRGIPPUCNCQS-HNNXBMFYSA-N 1 0 306.400 4.403 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1 ZINC000594522104 1050531560 /nfs/dbraw/zinc/53/15/60/1050531560.db2.gz HRGKITAUIWMEBL-GOSISDBHSA-N 1 0 312.457 4.069 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[NH+]1CCC2(CCCC2)CC1 ZINC000738343889 1050537072 /nfs/dbraw/zinc/53/70/72/1050537072.db2.gz RJFVXUIIPDADNM-UHFFFAOYSA-N 1 0 318.848 4.399 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(Cl)ccc1O ZINC000787029482 1050540454 /nfs/dbraw/zinc/54/04/54/1050540454.db2.gz XLGLXIAWZLXSTP-DIFFPNOSSA-N 1 0 312.800 4.255 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000787034829 1050542531 /nfs/dbraw/zinc/54/25/31/1050542531.db2.gz UEIARZIAIVDSPQ-VLIAUNLRSA-N 1 0 306.409 4.295 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000787034832 1050543830 /nfs/dbraw/zinc/54/38/30/1050543830.db2.gz UEIARZIAIVDSPQ-XOBRGWDASA-N 1 0 306.409 4.295 20 30 DIEDRO Cc1[nH+]c2c(n1Cc1ccc(C#N)cc1C(F)(F)F)CCCC2 ZINC000594897252 1050558887 /nfs/dbraw/zinc/55/88/87/1050558887.db2.gz LGTJFOLHVJKGLT-UHFFFAOYSA-N 1 0 319.330 4.009 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594923660 1050562391 /nfs/dbraw/zinc/56/23/91/1050562391.db2.gz IZXYYGJXHBMBOG-HNNXBMFYSA-N 1 0 306.409 4.101 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3(c4cccc(F)c4)CC3)cc2)CC1 ZINC000594922640 1050562612 /nfs/dbraw/zinc/56/26/12/1050562612.db2.gz PBOSAVOUIIAWKO-UHFFFAOYSA-N 1 0 306.384 4.160 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CSCc4ccccc43)cc2)CC1 ZINC000594919432 1050562759 /nfs/dbraw/zinc/56/27/59/1050562759.db2.gz ZVHPNJQCVPBPIG-LJQANCHMSA-N 1 0 320.461 4.319 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(C)cs1 ZINC000594919307 1050563791 /nfs/dbraw/zinc/56/37/91/1050563791.db2.gz HVUNIVREZYAHCM-MRXNPFEDSA-N 1 0 311.454 4.248 20 30 DIEDRO Cc1cc2cc(C[NH3+])ccc2n1[C@H](C)Cc1cccc(C#N)c1 ZINC001171174638 1050564110 /nfs/dbraw/zinc/56/41/10/1050564110.db2.gz BBUNVEPBIWPDTG-CQSZACIVSA-N 1 0 303.409 4.084 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000594918923 1050564169 /nfs/dbraw/zinc/56/41/69/1050564169.db2.gz CEPDEFQHAQNMOM-OAHLLOKOSA-N 1 0 308.400 4.274 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CSCc4ccccc43)cc2)CC1 ZINC000594919431 1050564317 /nfs/dbraw/zinc/56/43/17/1050564317.db2.gz ZVHPNJQCVPBPIG-IBGZPJMESA-N 1 0 320.461 4.319 20 30 DIEDRO Cc1csc([C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C2CC2)n1 ZINC000594930406 1050565297 /nfs/dbraw/zinc/56/52/97/1050565297.db2.gz VZOFIQCOPKTPLA-QGZVFWFLSA-N 1 0 323.465 4.248 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594928175 1050565503 /nfs/dbraw/zinc/56/55/03/1050565503.db2.gz FMNHVVKZSKXBDU-OAHLLOKOSA-N 1 0 308.425 4.254 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3COc4ccc(Cl)cc43)cc2)CC1 ZINC000594930078 1050565617 /nfs/dbraw/zinc/56/56/17/1050565617.db2.gz BEBSDKKBPKZBDY-KRWDZBQOSA-N 1 0 324.811 4.118 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000594926632 1050566282 /nfs/dbraw/zinc/56/62/82/1050566282.db2.gz RSHXGTPCNLKCCE-IBGZPJMESA-N 1 0 319.452 4.432 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2)CC1 ZINC000594926211 1050566690 /nfs/dbraw/zinc/56/66/90/1050566690.db2.gz NNNFHTUJRJBXFN-LJQANCHMSA-N 1 0 318.420 4.245 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(F)cc2Cl)no1 ZINC001211434878 1050567165 /nfs/dbraw/zinc/56/71/65/1050567165.db2.gz LSWDZUPOAYYDLH-UHFFFAOYSA-N 1 0 321.783 4.028 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCc1ccc(Cl)cc1 ZINC001171179605 1050569118 /nfs/dbraw/zinc/56/91/18/1050569118.db2.gz UYHFXFYNYPVQIT-HNNXBMFYSA-N 1 0 312.844 4.365 20 30 DIEDRO Cc1ccc(Cl)c(C[NH2+][C@H](C)Cc2cccc(C#N)c2)c1F ZINC001171178226 1050569831 /nfs/dbraw/zinc/56/98/31/1050569831.db2.gz DPUAQYHJTRCDIS-CYBMUJFWSA-N 1 0 316.807 4.380 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1F ZINC000594970296 1050572236 /nfs/dbraw/zinc/57/22/36/1050572236.db2.gz XOTDJPDYIHNPTF-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000594970539 1050572266 /nfs/dbraw/zinc/57/22/66/1050572266.db2.gz WZWGEKFNKLEPIV-UHFFFAOYSA-N 1 0 308.425 4.370 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000594970083 1050573267 /nfs/dbraw/zinc/57/32/67/1050573267.db2.gz YNSOAOOZHACXKA-UHFFFAOYSA-N 1 0 306.409 4.148 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1C(F)F ZINC001171178686 1050573307 /nfs/dbraw/zinc/57/33/07/1050573307.db2.gz JNQSAFWMQIMNLI-CYBMUJFWSA-N 1 0 300.352 4.217 20 30 DIEDRO CSc1ccc(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594936007 1050575090 /nfs/dbraw/zinc/57/50/90/1050575090.db2.gz GLNRLSHFAONSLP-UHFFFAOYSA-N 1 0 322.477 4.296 20 30 DIEDRO CCO[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594935559 1050575141 /nfs/dbraw/zinc/57/51/41/1050575141.db2.gz ANBQWFLTLDRQNZ-HXUWFJFHSA-N 1 0 320.436 4.109 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594938632 1050575193 /nfs/dbraw/zinc/57/51/93/1050575193.db2.gz MOKIRJFNANZNLI-ZWKOTPCHSA-N 1 0 314.498 4.396 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594938325 1050575932 /nfs/dbraw/zinc/57/59/32/1050575932.db2.gz MOANZGFKHLRAKH-OAHLLOKOSA-N 1 0 310.363 4.308 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc2ccccc2c1 ZINC001171181698 1050576189 /nfs/dbraw/zinc/57/61/89/1050576189.db2.gz NYFQLOUMIGEJPI-MRXNPFEDSA-N 1 0 300.405 4.432 20 30 DIEDRO COCc1csc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000594942932 1050578920 /nfs/dbraw/zinc/57/89/20/1050578920.db2.gz DUJDNMQRTRUHMK-GOSISDBHSA-N 1 0 314.454 4.419 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001171180556 1050579670 /nfs/dbraw/zinc/57/96/70/1050579670.db2.gz BDIYBPZVTZVBHZ-STQMWFEESA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc2ccccc2s1 ZINC001171182320 1050581311 /nfs/dbraw/zinc/58/13/11/1050581311.db2.gz UQEDPACUPFRKGA-AWEZNQCLSA-N 1 0 306.434 4.494 20 30 DIEDRO CSCC1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594960988 1050581434 /nfs/dbraw/zinc/58/14/34/1050581434.db2.gz VONNQUHPZFEUCU-UHFFFAOYSA-N 1 0 314.498 4.253 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC000594951101 1050581756 /nfs/dbraw/zinc/58/17/56/1050581756.db2.gz QCNBPLFYWWSNCU-UYAOXDASSA-N 1 0 302.421 4.135 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ccccc2O1 ZINC000594956962 1050581948 /nfs/dbraw/zinc/58/19/48/1050581948.db2.gz LZAGJFJHFNGZOV-DNVCBOLYSA-N 1 0 318.420 4.244 20 30 DIEDRO Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000594961599 1050582050 /nfs/dbraw/zinc/58/20/50/1050582050.db2.gz XCHDHIMFVDATDL-YOEHRIQHSA-N 1 0 311.454 4.291 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000594954341 1050582125 /nfs/dbraw/zinc/58/21/25/1050582125.db2.gz YSJSYGZGSQFYFB-TZIWHRDSSA-N 1 0 318.420 4.169 20 30 DIEDRO Cc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c2cc[nH]c21 ZINC001171182572 1050582674 /nfs/dbraw/zinc/58/26/74/1050582674.db2.gz POCMYWGDEMCVHF-UHFFFAOYSA-N 1 0 315.376 4.372 20 30 DIEDRO COc1ccccc1/C=C/C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594967692 1050583371 /nfs/dbraw/zinc/58/33/71/1050583371.db2.gz GVKMYDRPCUYZMU-JXMROGBWSA-N 1 0 306.409 4.105 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@@H](C)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC001171183663 1050583957 /nfs/dbraw/zinc/58/39/57/1050583957.db2.gz ICKOGCVUFZMTHK-BTYIYWSLSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001171189178 1050587724 /nfs/dbraw/zinc/58/77/24/1050587724.db2.gz CCYJKVTXDKOAJS-HXPMCKFVSA-N 1 0 312.363 4.045 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1sc2nc(C)nc(C)c2c1C ZINC000787308579 1050589621 /nfs/dbraw/zinc/58/96/21/1050589621.db2.gz DDEMRDZSFURYAA-CQSZACIVSA-N 1 0 301.459 4.157 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739784329 1050590794 /nfs/dbraw/zinc/59/07/94/1050590794.db2.gz DPXZNUWZCPMMTG-GOSISDBHSA-N 1 0 308.510 4.071 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001171189432 1050591248 /nfs/dbraw/zinc/59/12/48/1050591248.db2.gz GAZLMYFZTGYLPD-YJYMSZOUSA-N 1 0 310.828 4.420 20 30 DIEDRO CCOc1ccc(CNCC2(C#N)CCCCC2)cc1OCC ZINC000594995355 1050591339 /nfs/dbraw/zinc/59/13/39/1050591339.db2.gz OQMCMYKVSLHSGF-UHFFFAOYSA-N 1 0 316.445 4.048 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595056231 1050592875 /nfs/dbraw/zinc/59/28/75/1050592875.db2.gz SDBOENVMDFWYEE-CYBMUJFWSA-N 1 0 313.470 4.340 20 30 DIEDRO C[C@H](Cc1coc2ccccc12)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055500 1050592987 /nfs/dbraw/zinc/59/29/87/1050592987.db2.gz FZVBCYHJGXPMPC-OAHLLOKOSA-N 1 0 304.393 4.068 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000595057152 1050595130 /nfs/dbraw/zinc/59/51/30/1050595130.db2.gz AUYVHEOIJJCHDI-QAPCUYQASA-N 1 0 323.477 4.192 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000595059458 1050595257 /nfs/dbraw/zinc/59/52/57/1050595257.db2.gz OTWLUXVUNLFQFB-VIFPVBQESA-N 1 0 310.410 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OC3CC3)c1F)CC2 ZINC000595069001 1050596770 /nfs/dbraw/zinc/59/67/70/1050596770.db2.gz MALFYZWJZNEUAF-SFHVURJKSA-N 1 0 322.383 4.016 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)NC(=[NH2+])c1cccc2ccccc21 ZINC001171192523 1050597247 /nfs/dbraw/zinc/59/72/47/1050597247.db2.gz NMEVXKUSTLHSAI-OAHLLOKOSA-N 1 0 313.404 4.258 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cccc(O)c3)c2)s1 ZINC000740012110 1050598256 /nfs/dbraw/zinc/59/82/56/1050598256.db2.gz WODJLJGQDWQTAQ-UHFFFAOYSA-N 1 0 320.417 4.282 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)o1 ZINC000740011129 1050598561 /nfs/dbraw/zinc/59/85/61/1050598561.db2.gz JKWDHZOHXBAEDR-UHFFFAOYSA-N 1 0 308.406 4.478 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171192085 1050598499 /nfs/dbraw/zinc/59/84/99/1050598499.db2.gz KDNDNLORZUHHQG-IAGOWNOFSA-N 1 0 320.436 4.405 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2ccc(Cl)cc2C1 ZINC001171193314 1050599071 /nfs/dbraw/zinc/59/90/71/1050599071.db2.gz VMZCRQAIGOMXTQ-VBKZILBWSA-N 1 0 324.855 4.290 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC001171192409 1050601305 /nfs/dbraw/zinc/60/13/05/1050601305.db2.gz MYDWESHVZVJOLD-STQMWFEESA-N 1 0 300.352 4.118 20 30 DIEDRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595045881 1050602138 /nfs/dbraw/zinc/60/21/38/1050602138.db2.gz UVGWLGXDMMHLGL-CWRNSKLLSA-N 1 0 310.363 4.308 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)c1ccccc1OC ZINC001171192390 1050602356 /nfs/dbraw/zinc/60/23/56/1050602356.db2.gz MWTFRJRMDMISJV-BEFAXECRSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(F)cc1Cl ZINC001171195137 1050602758 /nfs/dbraw/zinc/60/27/58/1050602758.db2.gz PLINMQATLFADTD-ZDUSSCGKSA-N 1 0 316.807 4.114 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC001171194013 1050603757 /nfs/dbraw/zinc/60/37/57/1050603757.db2.gz FJSFUNVVCASLKI-JLTOFOAXSA-N 1 0 308.400 4.296 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cccc(C#N)c2)c(F)c1F ZINC001171195902 1050604561 /nfs/dbraw/zinc/60/45/61/1050604561.db2.gz WATBXCOXIACDJS-KBPBESRZSA-N 1 0 314.379 4.427 20 30 DIEDRO Cc1cc(Cl)nc(Nc2cc[nH+]c(C(C)(C)C)c2)c1C#N ZINC001213164686 1050605661 /nfs/dbraw/zinc/60/56/61/1050605661.db2.gz XTDBMTRLIGWBCC-UHFFFAOYSA-N 1 0 300.793 4.351 20 30 DIEDRO C[C@H](O)[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595103952 1050607232 /nfs/dbraw/zinc/60/72/32/1050607232.db2.gz PKUKXRHPJNWSFD-JHVJFLLYSA-N 1 0 320.436 4.037 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC001171197612 1050609256 /nfs/dbraw/zinc/60/92/56/1050609256.db2.gz AVEAWRCQRDHIBR-MRXNPFEDSA-N 1 0 322.427 4.241 20 30 DIEDRO C[C@]1(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1(F)F ZINC000595079626 1050609945 /nfs/dbraw/zinc/60/99/45/1050609945.db2.gz GAERPUSLOCUJPM-SJORKVTESA-N 1 0 304.384 4.351 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001171198181 1050610425 /nfs/dbraw/zinc/61/04/25/1050610425.db2.gz IIAWQZTZQHIGNO-MRXNPFEDSA-N 1 0 322.427 4.383 20 30 DIEDRO CC[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595079646 1050610385 /nfs/dbraw/zinc/61/03/85/1050610385.db2.gz GDHFAPUAPVYXOK-ICSRJNTNSA-N 1 0 311.473 4.006 20 30 DIEDRO COc1cccc(C2([NH2+][C@@H](C)c3ccc(C#N)cc3F)CCC2)c1 ZINC000595093230 1050612027 /nfs/dbraw/zinc/61/20/27/1050612027.db2.gz GNINFLYAZHRQBF-AWEZNQCLSA-N 1 0 324.399 4.436 20 30 DIEDRO CC[C@@H]([NH2+]CCc1nsc2ccccc21)c1ccc(C#N)cc1 ZINC000595096132 1050614525 /nfs/dbraw/zinc/61/45/25/1050614525.db2.gz WHJZKOACNVQQPI-QGZVFWFLSA-N 1 0 321.449 4.451 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001171199273 1050618549 /nfs/dbraw/zinc/61/85/49/1050618549.db2.gz XURMINROOJXNAJ-OLZOCXBDSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001171197889 1050618858 /nfs/dbraw/zinc/61/88/58/1050618858.db2.gz FFMZSCXNEQDUSP-INIZCTEOSA-N 1 0 322.427 4.383 20 30 DIEDRO Cc1cccc(C2([NH2+][C@@H](C)Cc3cccc(C#N)c3)CCC2)c1 ZINC001171199388 1050619235 /nfs/dbraw/zinc/61/92/35/1050619235.db2.gz ZJCRNHUBSSFSRZ-KRWDZBQOSA-N 1 0 304.437 4.467 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001171198008 1050619342 /nfs/dbraw/zinc/61/93/42/1050619342.db2.gz GUCURBNGNQSFBS-CZUORRHYSA-N 1 0 304.384 4.047 20 30 DIEDRO C=CCCCC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000574998818 1050623000 /nfs/dbraw/zinc/62/30/00/1050623000.db2.gz HZKRYYPEILZOQX-UHFFFAOYSA-N 1 0 307.384 4.216 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCCc2ccccc21 ZINC001171200718 1050625380 /nfs/dbraw/zinc/62/53/80/1050625380.db2.gz AVOBAADNEOVBSQ-OXJNMPFZSA-N 1 0 304.437 4.199 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001171201900 1050630886 /nfs/dbraw/zinc/63/08/86/1050630886.db2.gz SPGLNTODAGPAIA-ZDUSSCGKSA-N 1 0 313.832 4.063 20 30 DIEDRO CCCCCCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000740875608 1050634075 /nfs/dbraw/zinc/63/40/75/1050634075.db2.gz FWLTXGJFFQATFE-UHFFFAOYSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000740873693 1050634403 /nfs/dbraw/zinc/63/44/03/1050634403.db2.gz VYUHAFAGFIBKHS-UHFFFAOYSA-N 1 0 302.462 4.308 20 30 DIEDRO CCCCCCCC[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000740875243 1050634560 /nfs/dbraw/zinc/63/45/60/1050634560.db2.gz NMTVMROWDZXICW-UHFFFAOYSA-N 1 0 302.462 4.364 20 30 DIEDRO CC[C@H](OCC[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000593019693 1050634616 /nfs/dbraw/zinc/63/46/16/1050634616.db2.gz ISTNDGZIKHHGGD-UZLBHIALSA-N 1 0 308.425 4.377 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000845983763 1050641421 /nfs/dbraw/zinc/64/14/21/1050641421.db2.gz ZOQFOQHAMCLZJM-NCOADZHNSA-N 1 0 322.493 4.014 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)CCCC(C)C)C2 ZINC001170080880 1050643762 /nfs/dbraw/zinc/64/37/62/1050643762.db2.gz AOAWTYUBURPAPN-CEXWTWQISA-N 1 0 309.494 4.027 20 30 DIEDRO N#CC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCCC1 ZINC000846011375 1050645367 /nfs/dbraw/zinc/64/53/67/1050645367.db2.gz STGHOIQPAXMGOH-UHFFFAOYSA-N 1 0 306.409 4.233 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC([C@@H](F)c3ccccc3F)CC2)C1 ZINC000575199428 1050646542 /nfs/dbraw/zinc/64/65/42/1050646542.db2.gz SXRNNOQZOKJJDJ-DDUZABMNSA-N 1 0 304.384 4.241 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623881 1050652708 /nfs/dbraw/zinc/65/27/08/1050652708.db2.gz XPPJEXVHMAGNPM-SFHVURJKSA-N 1 0 324.472 4.141 20 30 DIEDRO C[C@@H](c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1)C(F)(F)F ZINC000595623975 1050652975 /nfs/dbraw/zinc/65/29/75/1050652975.db2.gz ZUTGHANFRBJMLZ-UONOGXRCSA-N 1 0 310.363 4.478 20 30 DIEDRO COc1ccc(Cl)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000595640691 1050657445 /nfs/dbraw/zinc/65/74/45/1050657445.db2.gz VSSNVQGHGJRDLS-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000595615834 1050657848 /nfs/dbraw/zinc/65/78/48/1050657848.db2.gz NZAGPNSCFWGTNZ-QGZVFWFLSA-N 1 0 315.420 4.351 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000846053399 1050658990 /nfs/dbraw/zinc/65/89/90/1050658990.db2.gz QZKVXSINEWLMRY-CVEARBPZSA-N 1 0 322.493 4.016 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2ccccc2)CC1 ZINC001171210335 1050662070 /nfs/dbraw/zinc/66/20/70/1050662070.db2.gz SNHCPKVDUKEUDD-KRWDZBQOSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001171211418 1050662221 /nfs/dbraw/zinc/66/22/21/1050662221.db2.gz ZEERHMCTMGPQAT-CQSZACIVSA-N 1 0 304.384 4.001 20 30 DIEDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1C#N ZINC000746741593 1050665274 /nfs/dbraw/zinc/66/52/74/1050665274.db2.gz NLWDYANZVZVPLL-UHFFFAOYSA-N 1 0 321.207 4.163 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](CCF)C2)c(C(F)(F)F)c1 ZINC000595761707 1050665923 /nfs/dbraw/zinc/66/59/23/1050665923.db2.gz GDLJPWUABSGWCE-GFCCVEGCSA-N 1 0 314.326 4.149 20 30 DIEDRO CCCCC[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846113859 1050666628 /nfs/dbraw/zinc/66/66/28/1050666628.db2.gz BESZPHDKZAIPAZ-KRWDZBQOSA-N 1 0 313.489 4.081 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCC(C)(C)C#N)cc1F ZINC000595753636 1050668176 /nfs/dbraw/zinc/66/81/76/1050668176.db2.gz QFAHVHKWGMUKEP-MRXNPFEDSA-N 1 0 304.409 4.301 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)cc1F ZINC000595753631 1050668328 /nfs/dbraw/zinc/66/83/28/1050668328.db2.gz QFAHVHKWGMUKEP-INIZCTEOSA-N 1 0 304.409 4.301 20 30 DIEDRO C(#CC1CC[NH+](Cc2cccc3cc[nH]c32)CC1)c1ccccc1 ZINC001144718411 1050668523 /nfs/dbraw/zinc/66/85/23/1050668523.db2.gz MKNNFMKOIUWSES-UHFFFAOYSA-N 1 0 314.432 4.432 20 30 DIEDRO C[C@]1(C#N)CC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000595839640 1050669981 /nfs/dbraw/zinc/66/99/81/1050669981.db2.gz KOYBFBHIPKGIJN-WPTTZPOMSA-N 1 0 319.246 4.088 20 30 DIEDRO C[C@]1(C#N)CCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000595841453 1050671313 /nfs/dbraw/zinc/67/13/13/1050671313.db2.gz WVWQQGCWPVHICN-HXUWFJFHSA-N 1 0 306.409 4.001 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCCC[C@@H]2CC2CCC2)CCOCC1 ZINC000595869379 1050675547 /nfs/dbraw/zinc/67/55/47/1050675547.db2.gz ASSTUJOCKQPATJ-GOSISDBHSA-N 1 0 304.478 4.132 20 30 DIEDRO CC1(C)C[C@@]1([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000595908338 1050677177 /nfs/dbraw/zinc/67/71/77/1050677177.db2.gz HUMDAMRQXFHTHF-HXUWFJFHSA-N 1 0 312.457 4.002 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000227582220 1050687920 /nfs/dbraw/zinc/68/79/20/1050687920.db2.gz LMAWOCXAJIJZKR-HZPDHXFCSA-N 1 0 322.493 4.253 20 30 DIEDRO C[C@]1(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@]1(F)Cl ZINC000846186674 1050690016 /nfs/dbraw/zinc/69/00/16/1050690016.db2.gz ZIHDHYRAKOAZEJ-YESZJQIVSA-N 1 0 306.812 4.230 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001171221401 1050711536 /nfs/dbraw/zinc/71/15/36/1050711536.db2.gz MIPCIKFVIUTDHF-CRAIPNDOSA-N 1 0 308.400 4.118 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000741585234 1050714420 /nfs/dbraw/zinc/71/44/20/1050714420.db2.gz PAJNCXPJKIGTHK-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221894 1050714636 /nfs/dbraw/zinc/71/46/36/1050714636.db2.gz WTQURAXGIINGMU-OXJNMPFZSA-N 1 0 320.436 4.335 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000788694011 1050726837 /nfs/dbraw/zinc/72/68/37/1050726837.db2.gz TWTJQTPJQBZYLT-WDEREUQCSA-N 1 0 315.230 4.379 20 30 DIEDRO CCCCCCCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000772947695 1050738957 /nfs/dbraw/zinc/73/89/57/1050738957.db2.gz AYUFLJJHGLITLG-AZUAARDMSA-N 1 0 317.521 4.242 20 30 DIEDRO Cc1cc2cc(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)ccc2[nH]1 ZINC001213784782 1050739642 /nfs/dbraw/zinc/73/96/42/1050739642.db2.gz DPPGKGSXQNNYQX-UHFFFAOYSA-N 1 0 322.437 4.141 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000593182902 1050741059 /nfs/dbraw/zinc/74/10/59/1050741059.db2.gz IJTBRELVRDYESM-RYGJVYDSSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000741793861 1050742337 /nfs/dbraw/zinc/74/23/37/1050742337.db2.gz BZCHSADIFURZIQ-ZIAGYGMSSA-N 1 0 306.837 4.253 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCOC(F)(F)F)cc1 ZINC000788982113 1050769516 /nfs/dbraw/zinc/76/95/16/1050769516.db2.gz VOHAAIFOKJOGRD-LLVKDONJSA-N 1 0 323.742 4.005 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)cc1 ZINC000772957781 1050785839 /nfs/dbraw/zinc/78/58/39/1050785839.db2.gz HFOHSOZWDYLXHI-FQEVSTJZSA-N 1 0 306.409 4.220 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)cc1 ZINC000772957782 1050786096 /nfs/dbraw/zinc/78/60/96/1050786096.db2.gz HFOHSOZWDYLXHI-HXUWFJFHSA-N 1 0 306.409 4.220 20 30 DIEDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597025832 1050796093 /nfs/dbraw/zinc/79/60/93/1050796093.db2.gz DUHWEMVTFKAROS-HNNXBMFYSA-N 1 0 302.487 4.205 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1C ZINC000596993464 1050797778 /nfs/dbraw/zinc/79/77/78/1050797778.db2.gz PYNQIQVSZYNOSB-UHFFFAOYSA-N 1 0 320.436 4.191 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000772960264 1050807812 /nfs/dbraw/zinc/80/78/12/1050807812.db2.gz OUBIRWHTKKGTAN-VLIAUNLRSA-N 1 0 309.384 4.176 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000772961142 1050808539 /nfs/dbraw/zinc/80/85/39/1050808539.db2.gz YVCIJHUUYUYNEV-NHCUHLMSSA-N 1 0 320.436 4.323 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000772958774 1050808866 /nfs/dbraw/zinc/80/88/66/1050808866.db2.gz HUZKRIAKCORENI-MPGHIAIKSA-N 1 0 300.446 4.454 20 30 DIEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772959852 1050809507 /nfs/dbraw/zinc/80/95/07/1050809507.db2.gz OPDYUIMFAOLDPG-PKOBYXMFSA-N 1 0 300.446 4.283 20 30 DIEDRO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000597131606 1050812010 /nfs/dbraw/zinc/81/20/10/1050812010.db2.gz BTQXFOUBNJGLRM-GOSISDBHSA-N 1 0 312.457 4.021 20 30 DIEDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469669 1050816030 /nfs/dbraw/zinc/81/60/30/1050816030.db2.gz HCAVTYFMGFEYQW-HNNXBMFYSA-N 1 0 323.396 4.358 20 30 DIEDRO Cc1cc([C@H]2CC[N@H+](CC(C)(C)CCC#N)C2)c(O)cc1Cl ZINC000597222567 1050826173 /nfs/dbraw/zinc/82/61/73/1050826173.db2.gz FSCHJOFIRFPIFU-AWEZNQCLSA-N 1 0 320.864 4.473 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCCCO4)C3)cc2)CC1 ZINC000597225215 1050829883 /nfs/dbraw/zinc/82/98/83/1050829883.db2.gz PYAWBQVLXKDBIG-AZUAARDMSA-N 1 0 324.468 4.023 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc(C#N)c(F)c1 ZINC000593321264 1050831094 /nfs/dbraw/zinc/83/10/94/1050831094.db2.gz HFURXULLYBNEDM-KBXCAEBGSA-N 1 0 323.415 4.165 20 30 DIEDRO N#Cc1cc(F)ccc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000742397053 1050831590 /nfs/dbraw/zinc/83/15/90/1050831590.db2.gz ANLFGIFCBZJSBS-UHFFFAOYSA-N 1 0 315.436 4.154 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)CC(C)(C)c2ccccc2)cc1C#N ZINC000742369477 1050832725 /nfs/dbraw/zinc/83/27/25/1050832725.db2.gz XWTDDKKLXFEVHW-MRXNPFEDSA-N 1 0 322.452 4.413 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)cc1C#N ZINC000742369476 1050832939 /nfs/dbraw/zinc/83/29/39/1050832939.db2.gz XWTDDKKLXFEVHW-INIZCTEOSA-N 1 0 322.452 4.413 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)C(C)(C)c1ccccc1 ZINC000742372649 1050834164 /nfs/dbraw/zinc/83/41/64/1050834164.db2.gz RNUSYBNOBFXNLA-HXUWFJFHSA-N 1 0 322.452 4.413 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)cc1 ZINC000742379660 1050840217 /nfs/dbraw/zinc/84/02/17/1050840217.db2.gz ZUWFXLQQYGWWME-INIZCTEOSA-N 1 0 311.400 4.305 20 30 DIEDRO C=CC(C)(C)C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC001146800435 1050843752 /nfs/dbraw/zinc/84/37/52/1050843752.db2.gz WMCCCXMGTYKWJW-MRXNPFEDSA-N 1 0 316.489 4.224 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[N@H+](CC)C[C@H]1C ZINC001160999929 1050846902 /nfs/dbraw/zinc/84/69/02/1050846902.db2.gz DQBVPYZRQQRRKT-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO CC[C@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccc(C#N)cc1 ZINC000602018450 1050891066 /nfs/dbraw/zinc/89/10/66/1050891066.db2.gz CDNQDWQWWYZLFJ-HKUYNNGSSA-N 1 0 305.425 4.198 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2C)cc1 ZINC000772982604 1050893929 /nfs/dbraw/zinc/89/39/29/1050893929.db2.gz XQZCAMGXPXPCKC-XFQAVAEZSA-N 1 0 305.421 4.283 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC2CCCC2)c1 ZINC000772984236 1050900135 /nfs/dbraw/zinc/90/01/35/1050900135.db2.gz OCXOPRIKKDPGPP-CRAIPNDOSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C(C)C)c1 ZINC000772982836 1050902935 /nfs/dbraw/zinc/90/29/35/1050902935.db2.gz FSZZUOPRXVGVKB-BHIYHBOVSA-N 1 0 300.446 4.282 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000772987241 1050921552 /nfs/dbraw/zinc/92/15/52/1050921552.db2.gz HPHWYGXUOBGLLO-LJQANCHMSA-N 1 0 321.420 4.011 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000772987953 1050928128 /nfs/dbraw/zinc/92/81/28/1050928128.db2.gz NDNAFFOUTRWALK-HXUWFJFHSA-N 1 0 322.452 4.006 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)COc2ccc(C)cc2)c1 ZINC000742734048 1050929987 /nfs/dbraw/zinc/92/99/87/1050929987.db2.gz AYEBKPFJFYQMSR-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000772988992 1050933305 /nfs/dbraw/zinc/93/33/05/1050933305.db2.gz VSSRYUJHZJWKFU-IBGZPJMESA-N 1 0 321.420 4.011 20 30 DIEDRO CCCCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742789644 1050936504 /nfs/dbraw/zinc/93/65/04/1050936504.db2.gz BJWUBQQKSWYESC-IBGZPJMESA-N 1 0 316.489 4.080 20 30 DIEDRO CC(C)[PH+](CCNC(=O)c1cccc([C@@H](C)C#N)c1)C(C)C ZINC001148628870 1050962657 /nfs/dbraw/zinc/96/26/57/1050962657.db2.gz JGYMORVXEBJACZ-HNNXBMFYSA-N 1 0 318.401 4.342 20 30 DIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000348206889 1051004698 /nfs/dbraw/zinc/00/46/98/1051004698.db2.gz MRQQBCPUBFPEOH-HNNXBMFYSA-N 1 0 310.445 4.161 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000348206048 1051005120 /nfs/dbraw/zinc/00/51/20/1051005120.db2.gz KNRSMSDIOVQISP-OAHLLOKOSA-N 1 0 306.837 4.473 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccncc1 ZINC000790964838 1051011485 /nfs/dbraw/zinc/01/14/85/1051011485.db2.gz NVQCBFZAEMGNBW-FQEVSTJZSA-N 1 0 308.425 4.277 20 30 DIEDRO C#CCSCC[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000773010168 1051020981 /nfs/dbraw/zinc/02/09/81/1051020981.db2.gz JAFVQXMASLXCOC-LLVKDONJSA-N 1 0 301.427 4.018 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C1CC1 ZINC000773014257 1051023240 /nfs/dbraw/zinc/02/32/40/1051023240.db2.gz JOVVYPDNQDZJCD-GJZGRUSLSA-N 1 0 314.256 4.361 20 30 DIEDRO C#CCCCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000773034717 1051030174 /nfs/dbraw/zinc/03/01/74/1051030174.db2.gz FUIIBFAQECTENP-AEFFLSMTSA-N 1 0 303.421 4.254 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000773036793 1051032386 /nfs/dbraw/zinc/03/23/86/1051032386.db2.gz NIDYXQVGYUVSHH-KRWDZBQOSA-N 1 0 309.457 4.252 20 30 DIEDRO C#CCCCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000773035748 1051032538 /nfs/dbraw/zinc/03/25/38/1051032538.db2.gz JWAXJYVLNHVIHQ-AWEZNQCLSA-N 1 0 324.287 4.379 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000743495946 1051039389 /nfs/dbraw/zinc/03/93/89/1051039389.db2.gz JZDDXKLJRBSODT-KRWDZBQOSA-N 1 0 319.452 4.399 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000773061413 1051043777 /nfs/dbraw/zinc/04/37/77/1051043777.db2.gz XHGLRXMLNZWNMJ-SFHVURJKSA-N 1 0 316.489 4.310 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000773059999 1051046146 /nfs/dbraw/zinc/04/61/46/1051046146.db2.gz OUHSCJDFGCYIGX-LBPRGKRZSA-N 1 0 301.402 4.245 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)c(C)cc2C)cc1C#N ZINC000773073452 1051051931 /nfs/dbraw/zinc/05/19/31/1051051931.db2.gz DBDPHCHEIAPCPN-MRXNPFEDSA-N 1 0 308.425 4.343 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cnc3ccsc3c2)cc1C#N ZINC000773078114 1051053535 /nfs/dbraw/zinc/05/35/35/1051053535.db2.gz VBLLFIXZKVETQZ-GFCCVEGCSA-N 1 0 323.421 4.027 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H]1CCCc2cc(OC)ccc21)c1ccccc1 ZINC000773106091 1051062275 /nfs/dbraw/zinc/06/22/75/1051062275.db2.gz JZYVZCFWYABEKX-NHCUHLMSSA-N 1 0 305.421 4.427 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](CCCCOC)c1ccccc1 ZINC000791611954 1051062362 /nfs/dbraw/zinc/06/23/62/1051062362.db2.gz ROTWCGDCFWYEGN-HNNXBMFYSA-N 1 0 312.251 4.043 20 30 DIEDRO C=C(Br)C[NH2+][C@H](CCCCOC)c1ccccc1 ZINC000791611955 1051062403 /nfs/dbraw/zinc/06/24/03/1051062403.db2.gz ROTWCGDCFWYEGN-OAHLLOKOSA-N 1 0 312.251 4.043 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000773103979 1051062559 /nfs/dbraw/zinc/06/25/59/1051062559.db2.gz CXRLRDWGZVVIOD-GOSISDBHSA-N 1 0 316.489 4.310 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1N(C)C)c1ccccc1 ZINC000773116496 1051064551 /nfs/dbraw/zinc/06/45/51/1051064551.db2.gz RVNFHKIDEWBGJN-DNVCBOLYSA-N 1 0 310.416 4.307 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](CC)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000773108547 1051064632 /nfs/dbraw/zinc/06/46/32/1051064632.db2.gz ZSOBNPGMBSCSOC-PMACEKPBSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000773117792 1051066755 /nfs/dbraw/zinc/06/67/55/1051066755.db2.gz WZJHEFMDMXDXDQ-UTKZUKDTSA-N 1 0 315.420 4.288 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](CC)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000773117908 1051067095 /nfs/dbraw/zinc/06/70/95/1051067095.db2.gz YICULNZKTDLCMW-OALUTQOASA-N 1 0 321.420 4.263 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000773117762 1051067351 /nfs/dbraw/zinc/06/73/51/1051067351.db2.gz WHEBOHYHMRNZCC-OALUTQOASA-N 1 0 308.381 4.400 20 30 DIEDRO C#CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000773117779 1051067397 /nfs/dbraw/zinc/06/73/97/1051067397.db2.gz WVMZKPATOVLGSS-NRFANRHFSA-N 1 0 310.485 4.138 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000773118382 1051070100 /nfs/dbraw/zinc/07/01/00/1051070100.db2.gz ZDQQRGMIDUUBFS-UWJYYQICSA-N 1 0 315.420 4.288 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400753344 1051073066 /nfs/dbraw/zinc/07/30/66/1051073066.db2.gz WGCMDQRCOGNUQI-CVEARBPZSA-N 1 0 324.509 4.356 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743858150 1051078658 /nfs/dbraw/zinc/07/86/58/1051078658.db2.gz YQSWNFNTUUTSCQ-YWZLYKJASA-N 1 0 324.399 4.311 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743842827 1051082701 /nfs/dbraw/zinc/08/27/01/1051082701.db2.gz MEHZAGPOLHUWQR-IBGZPJMESA-N 1 0 315.844 4.104 20 30 DIEDRO CCc1ccc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000743867567 1051086462 /nfs/dbraw/zinc/08/64/62/1051086462.db2.gz OTDUJMLATCRXPF-QGZVFWFLSA-N 1 0 319.452 4.004 20 30 DIEDRO CC(C)([NH2+][C@@H]1CCc2c(F)cccc2C1)c1ccc(C#N)cc1 ZINC001171400380 1051088326 /nfs/dbraw/zinc/08/83/26/1051088326.db2.gz CRBLCLBZEKOGRS-QGZVFWFLSA-N 1 0 308.400 4.080 20 30 DIEDRO CC(C)([NH2+][C@H]1CCc2c(F)cccc2C1)c1ccc(C#N)cc1 ZINC001171400379 1051088427 /nfs/dbraw/zinc/08/84/27/1051088427.db2.gz CRBLCLBZEKOGRS-KRWDZBQOSA-N 1 0 308.400 4.080 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000792221775 1051126745 /nfs/dbraw/zinc/12/67/45/1051126745.db2.gz OKTFBNFTLQCUMF-KRWDZBQOSA-N 1 0 318.509 4.154 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000037243101 1051131116 /nfs/dbraw/zinc/13/11/16/1051131116.db2.gz MGHZJAMMEGAZHV-CYBMUJFWSA-N 1 0 300.789 4.093 20 30 DIEDRO C#CC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CCCCC1 ZINC000744213936 1051132425 /nfs/dbraw/zinc/13/24/25/1051132425.db2.gz WIPJAXKELOAHQV-UHFFFAOYSA-N 1 0 312.388 4.249 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC001171488979 1051143498 /nfs/dbraw/zinc/14/34/98/1051143498.db2.gz BNADXGQKMJERKW-AWEZNQCLSA-N 1 0 314.429 4.185 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001170257280 1051165945 /nfs/dbraw/zinc/16/59/45/1051165945.db2.gz XORMAJOKROMCRG-NNGSBXSVSA-N 1 0 302.849 4.477 20 30 DIEDRO C[C@@H](C#N)N(C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171653524 1051183385 /nfs/dbraw/zinc/18/33/85/1051183385.db2.gz HOSVYIFEBSEGHS-YGONEPDPSA-N 1 0 321.262 4.319 20 30 DIEDRO N#CC1(c2ccccc2)CCC(Nc2cccc(F)c2C[NH3+])CC1 ZINC001170359574 1051188920 /nfs/dbraw/zinc/18/89/20/1051188920.db2.gz BSKOKQHNQGWXNG-UHFFFAOYSA-N 1 0 323.415 4.100 20 30 DIEDRO N#CC1(c2ccccc2)CCC(Nc2ccc(CC[NH3+])cc2)CC1 ZINC001170359875 1051189631 /nfs/dbraw/zinc/18/96/31/1051189631.db2.gz KPKPNQSKGIGCCY-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)nc1 ZINC001170362244 1051191685 /nfs/dbraw/zinc/19/16/85/1051191685.db2.gz RMCGFIBOKMBBKO-OCDPCBSRSA-N 1 0 319.452 4.445 20 30 DIEDRO CCCCC(=O)[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170367575 1051193673 /nfs/dbraw/zinc/19/36/73/1051193673.db2.gz KOLAYFGXSFSHEK-VQSBYGRUSA-N 1 0 312.457 4.128 20 30 DIEDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001170387232 1051196048 /nfs/dbraw/zinc/19/60/48/1051196048.db2.gz SBGIQQIVFSAEFR-MSOLQXFVSA-N 1 0 314.473 4.169 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCCCCS)CC1 ZINC001170373814 1051197627 /nfs/dbraw/zinc/19/76/27/1051197627.db2.gz LSLAYGHGGTZXSX-UHFFFAOYSA-N 1 0 316.514 4.470 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001170378474 1051198804 /nfs/dbraw/zinc/19/88/04/1051198804.db2.gz CQVBTOFWOQQXKE-CBNMVNINSA-N 1 0 324.468 4.036 20 30 DIEDRO CC[N@H+](Cc1ccncc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375609 1051199707 /nfs/dbraw/zinc/19/97/07/1051199707.db2.gz AINIOJVHLQFXRU-UHFFFAOYSA-N 1 0 319.452 4.308 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171871927 1051227337 /nfs/dbraw/zinc/22/73/37/1051227337.db2.gz SQQQKCJHJNHIGT-LJQANCHMSA-N 1 0 316.489 4.241 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001171841342 1051229698 /nfs/dbraw/zinc/22/96/98/1051229698.db2.gz NHPGFKQQCHPAQT-CQSZACIVSA-N 1 0 313.363 4.372 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171857552 1051232471 /nfs/dbraw/zinc/23/24/71/1051232471.db2.gz HJRXHJBJPJIULY-MRXNPFEDSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccn(CCc2ccccc2)n1 ZINC001171920582 1051242058 /nfs/dbraw/zinc/24/20/58/1051242058.db2.gz JECPENQPVTYKHS-PZJWPPBQSA-N 1 0 323.484 4.350 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1(CC#N)CCCC1 ZINC001171968608 1051245513 /nfs/dbraw/zinc/24/55/13/1051245513.db2.gz HMJQRNZGIKYBLD-CYBMUJFWSA-N 1 0 310.363 4.452 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1csc(C#N)c1 ZINC001171961724 1051245540 /nfs/dbraw/zinc/24/55/40/1051245540.db2.gz ATQQBYZGXNYTLW-NSHDSACASA-N 1 0 324.371 4.359 20 30 DIEDRO C=CC[C@@H]([NH2+]C1CCC(C)(C(=O)OCC)CC1)c1ccccc1 ZINC001171946080 1051256594 /nfs/dbraw/zinc/25/65/94/1051256594.db2.gz UKSQFGFSUFEPDR-QPIRBTGLSA-N 1 0 315.457 4.405 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171985908 1051273207 /nfs/dbraw/zinc/27/32/07/1051273207.db2.gz DFRDIMJNHVAWII-LJQANCHMSA-N 1 0 300.490 4.328 20 30 DIEDRO FC(F)(F)C1(c2cc(NCC#Cc3ccccc3)cc[nH+]2)CC1 ZINC001170429255 1051277082 /nfs/dbraw/zinc/27/70/82/1051277082.db2.gz CFRCBIXACKLNEH-UHFFFAOYSA-N 1 0 316.326 4.139 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000793308091 1051277621 /nfs/dbraw/zinc/27/76/21/1051277621.db2.gz FJSOCROYCWPQSP-JLTOFOAXSA-N 1 0 324.399 4.284 20 30 DIEDRO C=CCN(CC=C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075540 1051280514 /nfs/dbraw/zinc/28/05/14/1051280514.db2.gz RNOJXJPLHNAHGV-WKCHPHFGSA-N 1 0 310.485 4.246 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1C#N ZINC000793351149 1051292827 /nfs/dbraw/zinc/29/28/27/1051292827.db2.gz GIHNSFADHIDLKH-QFBILLFUSA-N 1 0 324.399 4.132 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172103797 1051295957 /nfs/dbraw/zinc/29/59/57/1051295957.db2.gz YSEHZZCNNNHHEA-FVQHAEBGSA-N 1 0 322.493 4.205 20 30 DIEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CCC#N)C1CCCCCCC1)C2 ZINC001172121519 1051304794 /nfs/dbraw/zinc/30/47/94/1051304794.db2.gz KGTOPARIUYRUEO-ACDBMABISA-N 1 0 317.521 4.330 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000793515721 1051305176 /nfs/dbraw/zinc/30/51/76/1051305176.db2.gz IWCBORQGXYEAOW-SJORKVTESA-N 1 0 312.461 4.443 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000793529072 1051309936 /nfs/dbraw/zinc/30/99/36/1051309936.db2.gz ZIZPETJJYLJWOE-KRWDZBQOSA-N 1 0 301.478 4.165 20 30 DIEDRO CCCCCCCCCCC[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172158045 1051314018 /nfs/dbraw/zinc/31/40/18/1051314018.db2.gz ANWIMTCJWOEDCY-MSOLQXFVSA-N 1 0 308.510 4.260 20 30 DIEDRO Cc1cnc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)c(C#N)c1 ZINC001215711862 1051318583 /nfs/dbraw/zinc/31/85/83/1051318583.db2.gz YYOARMOOZKMQBG-UHFFFAOYSA-N 1 0 324.403 4.130 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000793530218 1051321573 /nfs/dbraw/zinc/32/15/73/1051321573.db2.gz DMBGDMLLOXHQMF-MJGOQNOKSA-N 1 0 320.521 4.282 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C(C)(C)c2ccccc2)cc1 ZINC000793607707 1051324601 /nfs/dbraw/zinc/32/46/01/1051324601.db2.gz BYBKFKYEASLLQV-MRXNPFEDSA-N 1 0 308.425 4.345 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2ccc(C#N)cc2C#N)c1 ZINC001215726397 1051326736 /nfs/dbraw/zinc/32/67/36/1051326736.db2.gz MDBIAJVRGBJRAS-UHFFFAOYSA-N 1 0 322.387 4.154 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001172301660 1051332010 /nfs/dbraw/zinc/33/20/10/1051332010.db2.gz TYKSEGZQHLTUAE-BLVKFPJESA-N 1 0 312.363 4.045 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1coc2ccccc12 ZINC001172301329 1051332262 /nfs/dbraw/zinc/33/22/62/1051332262.db2.gz MPJHIKWYUFTHDI-OAHLLOKOSA-N 1 0 304.393 4.068 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@@H](C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC001172301869 1051332339 /nfs/dbraw/zinc/33/23/39/1051332339.db2.gz YMIDPBMOQLBKAI-BTYIYWSLSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001172301155 1051332369 /nfs/dbraw/zinc/33/23/69/1051332369.db2.gz LFFZLVRVSZEQIU-CABCVRRESA-N 1 0 312.844 4.363 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@H](C)Cc1ccc(C#N)cc1 ZINC001172301140 1051332377 /nfs/dbraw/zinc/33/23/77/1051332377.db2.gz KYEPXAXCUULZOG-UZLBHIALSA-N 1 0 319.452 4.098 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001172305532 1051333173 /nfs/dbraw/zinc/33/31/73/1051333173.db2.gz SSNDFEYYQOYNCN-XIKOKIGWSA-N 1 0 312.363 4.045 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001172303293 1051333226 /nfs/dbraw/zinc/33/32/26/1051333226.db2.gz WPOYWCGSEDGUBY-YJYMSZOUSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC001172307524 1051335094 /nfs/dbraw/zinc/33/50/94/1051335094.db2.gz FNWSHQKWYQPTRV-QGZVFWFLSA-N 1 0 320.436 4.033 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001172309798 1051335686 /nfs/dbraw/zinc/33/56/86/1051335686.db2.gz CAGUTABPSOOVCW-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC001172307521 1051336080 /nfs/dbraw/zinc/33/60/80/1051336080.db2.gz FNWSHQKWYQPTRV-KRWDZBQOSA-N 1 0 320.436 4.033 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001172311686 1051338021 /nfs/dbraw/zinc/33/80/21/1051338021.db2.gz VXKMJEXHOLEJHX-QGZVFWFLSA-N 1 0 306.453 4.442 20 30 DIEDRO COc1ccc(Nc2ccc(C[NH2+]CC(C)C)cc2)cc1C#N ZINC001215744942 1051338345 /nfs/dbraw/zinc/33/83/45/1051338345.db2.gz AWERIUZUPNHKRG-UHFFFAOYSA-N 1 0 309.413 4.056 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)CCc1ccccc1Cl ZINC001172318387 1051339174 /nfs/dbraw/zinc/33/91/74/1051339174.db2.gz FOOIVWUCEOMHCD-OAHLLOKOSA-N 1 0 312.844 4.317 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001172318792 1051339564 /nfs/dbraw/zinc/33/95/64/1051339564.db2.gz IUHWWACXZODTSQ-HNAYVOBHSA-N 1 0 308.400 4.118 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001172319558 1051340009 /nfs/dbraw/zinc/34/00/09/1051340009.db2.gz OQWGMHNYNCFVGA-HNAYVOBHSA-N 1 0 308.400 4.118 20 30 DIEDRO COc1cccc(Nc2ccc(C[NH2+]CC(C)C)cc2)c1C#N ZINC001215746977 1051340085 /nfs/dbraw/zinc/34/00/85/1051340085.db2.gz XNNPSLAJYWEYNX-UHFFFAOYSA-N 1 0 309.413 4.056 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2c(F)cc(F)cc2C#N)cc1 ZINC001215745999 1051340935 /nfs/dbraw/zinc/34/09/35/1051340935.db2.gz CXNOPEMONPYUFJ-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001172320538 1051341706 /nfs/dbraw/zinc/34/17/06/1051341706.db2.gz VOHIGQQMTOZALF-JXFKEZNVSA-N 1 0 322.477 4.279 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC001172290921 1051347059 /nfs/dbraw/zinc/34/70/59/1051347059.db2.gz GIHDXUFMUZCCKX-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO Cc1c(CC[NH3+])c2ccccc2n1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172290164 1051347320 /nfs/dbraw/zinc/34/73/20/1051347320.db2.gz MYAQBYKEGJAOEN-OAHLLOKOSA-N 1 0 317.436 4.126 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(Cl)ccc1F ZINC001172290299 1051347360 /nfs/dbraw/zinc/34/73/60/1051347360.db2.gz NZVCSUVXHMKFOT-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(Cl)ccc1F ZINC001172290298 1051347558 /nfs/dbraw/zinc/34/75/58/1051347558.db2.gz NZVCSUVXHMKFOT-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001172289565 1051347612 /nfs/dbraw/zinc/34/76/12/1051347612.db2.gz FLXCELXSXPZSQL-CYBMUJFWSA-N 1 0 323.827 4.429 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)ccc(Cl)c1F ZINC001172289756 1051347663 /nfs/dbraw/zinc/34/76/63/1051347663.db2.gz HMLGIRSULLHHQK-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(Cl)c1F ZINC001172290510 1051347688 /nfs/dbraw/zinc/34/76/88/1051347688.db2.gz QPBCLUMHIUGFRO-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001172291521 1051347744 /nfs/dbraw/zinc/34/77/44/1051347744.db2.gz ZTHURKJPVMJIIL-XFWPWHQGSA-N 1 0 321.468 4.273 20 30 DIEDRO Cc1ccc2c(CC[NH3+])cn([C@@H](C)Cc3ccc(C#N)cc3)c2c1 ZINC001172292249 1051347788 /nfs/dbraw/zinc/34/77/88/1051347788.db2.gz DYXPFINMVKLNGE-INIZCTEOSA-N 1 0 317.436 4.126 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172290455 1051347893 /nfs/dbraw/zinc/34/78/93/1051347893.db2.gz PXIPJPJQAXBCNS-INIZCTEOSA-N 1 0 308.425 4.066 20 30 DIEDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172291314 1051347906 /nfs/dbraw/zinc/34/79/06/1051347906.db2.gz XJGUCLATFXTDIP-INIZCTEOSA-N 1 0 317.436 4.126 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)Cc1ccccc1F ZINC001172295740 1051348752 /nfs/dbraw/zinc/34/87/52/1051348752.db2.gz DNEBOXWZHVIIEC-HNNXBMFYSA-N 1 0 310.416 4.239 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc2ccccc2cc1O ZINC001172295121 1051349076 /nfs/dbraw/zinc/34/90/76/1051349076.db2.gz ASUFNGSHLGROQH-OAHLLOKOSA-N 1 0 316.404 4.138 20 30 DIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302000 1051349145 /nfs/dbraw/zinc/34/91/45/1051349145.db2.gz BTFTXIBVQRFNEZ-ZWKOTPCHSA-N 1 0 322.452 4.163 20 30 DIEDRO Cc1cccc2c(CC[NH3+])cn([C@H](C)Cc3ccc(C#N)cc3)c21 ZINC001172295311 1051350069 /nfs/dbraw/zinc/35/00/69/1051350069.db2.gz QOUULXQDYJXKBI-MRXNPFEDSA-N 1 0 317.436 4.126 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172294924 1051350170 /nfs/dbraw/zinc/35/01/70/1051350170.db2.gz NVOMWTONILKHAF-KRWDZBQOSA-N 1 0 322.452 4.458 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1cccc(Cl)c1F ZINC001172299734 1051350725 /nfs/dbraw/zinc/35/07/25/1051350725.db2.gz OFRFVCLPHASRMI-ZDUSSCGKSA-N 1 0 316.807 4.114 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)Cc1cccc(F)c1 ZINC001172299426 1051350956 /nfs/dbraw/zinc/35/09/56/1051350956.db2.gz KKZDTHUGDOTRPP-OAHLLOKOSA-N 1 0 310.416 4.239 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172297663 1051351008 /nfs/dbraw/zinc/35/10/08/1051351008.db2.gz QSJCTMZWAJLNIM-SJORKVTESA-N 1 0 320.436 4.405 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001172298168 1051351029 /nfs/dbraw/zinc/35/10/29/1051351029.db2.gz FAGAKJXDYILTFL-XJKSGUPXSA-N 1 0 304.384 4.047 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001172297321 1051351103 /nfs/dbraw/zinc/35/11/03/1051351103.db2.gz CVMNFXLEKCAZTI-VLIAUNLRSA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1cccc(F)c1)C1CC1 ZINC001172299312 1051351247 /nfs/dbraw/zinc/35/12/47/1051351247.db2.gz JNYACEZYKDZJRL-JLTOFOAXSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1C[C@H]1c1cccc(Cl)c1 ZINC001172299239 1051351430 /nfs/dbraw/zinc/35/14/30/1051351430.db2.gz GIMULVYDUZSQIS-VMDGZTHMSA-N 1 0 310.828 4.288 20 30 DIEDRO Cc1ccccc1CC1(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172297913 1051351437 /nfs/dbraw/zinc/35/14/37/1051351437.db2.gz BJSYGSMOHZCVJI-SFHVURJKSA-N 1 0 318.464 4.410 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC001172297319 1051351622 /nfs/dbraw/zinc/35/16/22/1051351622.db2.gz CVMNFXLEKCAZTI-JLTOFOAXSA-N 1 0 308.400 4.296 20 30 DIEDRO CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1ccccn1 ZINC001172297585 1051351751 /nfs/dbraw/zinc/35/17/51/1051351751.db2.gz QCSZEGKEAKICIP-JXFKEZNVSA-N 1 0 307.441 4.261 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC001172299797 1051353506 /nfs/dbraw/zinc/35/35/06/1051353506.db2.gz NXZPNJPPPZHFHP-XOBRGWDASA-N 1 0 308.400 4.296 20 30 DIEDRO CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001172341731 1051362992 /nfs/dbraw/zinc/36/29/92/1051362992.db2.gz IAVUEPZIAZCEAA-GPMSIDNRSA-N 1 0 302.462 4.439 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CCO[C@H](C)CC ZINC001172344845 1051364278 /nfs/dbraw/zinc/36/42/78/1051364278.db2.gz VEFHUPPVFFVVDL-ZACQAIPSSA-N 1 0 305.462 4.496 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC001172347157 1051365888 /nfs/dbraw/zinc/36/58/88/1051365888.db2.gz SGLZEPRNSUEXFJ-QGZVFWFLSA-N 1 0 310.526 4.362 20 30 DIEDRO CC[C@H](C)OCC[C@@H](C)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001172348294 1051366152 /nfs/dbraw/zinc/36/61/52/1051366152.db2.gz PKUOERAACHHUOT-SJORKVTESA-N 1 0 314.473 4.331 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H](CC(=O)OC)c1cccnc1 ZINC001172350085 1051366638 /nfs/dbraw/zinc/36/66/38/1051366638.db2.gz JDSMENIZQYZPJD-ROUUACIJSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172346990 1051367003 /nfs/dbraw/zinc/36/70/03/1051367003.db2.gz OPQVHRZZIXCEOW-HNNXBMFYSA-N 1 0 309.450 4.075 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H](CC(=O)OC)c1cccnc1 ZINC001172350082 1051367036 /nfs/dbraw/zinc/36/70/36/1051367036.db2.gz JDSMENIZQYZPJD-MSOLQXFVSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC001172351473 1051368576 /nfs/dbraw/zinc/36/85/76/1051368576.db2.gz UXBLTUVIAPECPQ-MSOLQXFVSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001172353988 1051369715 /nfs/dbraw/zinc/36/97/15/1051369715.db2.gz CWUZLFYITACMFN-IBGZPJMESA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001172355306 1051370047 /nfs/dbraw/zinc/37/00/47/1051370047.db2.gz NSQRMKSLUZKLES-LJQANCHMSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001172355436 1051370879 /nfs/dbraw/zinc/37/08/79/1051370879.db2.gz OMQYGEZYISEXHK-HNNXBMFYSA-N 1 0 302.453 4.151 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H]1CCCN(c2cnccn2)C1 ZINC001172359614 1051371604 /nfs/dbraw/zinc/37/16/04/1051371604.db2.gz ZBAWTBXHPXIGKP-MSOLQXFVSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1c2ccccc2NC1=O ZINC001172357218 1051371620 /nfs/dbraw/zinc/37/16/20/1051371620.db2.gz JLVIOTJSLUGUKF-NVXWUHKLSA-N 1 0 302.462 4.451 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001172357926 1051371634 /nfs/dbraw/zinc/37/16/34/1051371634.db2.gz NASJBLSORNEGPK-HUUCEWRRSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(C[C@H]2C(=O)N(C)C)CC1 ZINC001172355982 1051371841 /nfs/dbraw/zinc/37/18/41/1051371841.db2.gz TVMAFTLBXKLNFF-MSOLQXFVSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CCCNC2=O)CC1 ZINC001172356930 1051372113 /nfs/dbraw/zinc/37/21/13/1051372113.db2.gz ZSOMFWLOEJPZJT-KRWDZBQOSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)CC(=O)N2 ZINC001172359545 1051372307 /nfs/dbraw/zinc/37/23/07/1051372307.db2.gz YCOJANBFGAEKOI-QGZVFWFLSA-N 1 0 302.462 4.410 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(C[C@H]2C(=O)N(C)C)CC1 ZINC001172355984 1051372409 /nfs/dbraw/zinc/37/24/09/1051372409.db2.gz TVMAFTLBXKLNFF-ROUUACIJSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001172357927 1051372900 /nfs/dbraw/zinc/37/29/00/1051372900.db2.gz NASJBLSORNEGPK-LSDHHAIUSA-N 1 0 309.416 4.372 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC001172370035 1051378809 /nfs/dbraw/zinc/37/88/09/1051378809.db2.gz UIHDYCPHMXWUSL-TYNCELHUSA-N 1 0 310.363 4.491 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H](OCc2ccccc2)CC1 ZINC001172476575 1051401398 /nfs/dbraw/zinc/40/13/98/1051401398.db2.gz NVWKMFFYUZLGPI-WDSOQIARSA-N 1 0 300.446 4.186 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC001172477094 1051401677 /nfs/dbraw/zinc/40/16/77/1051401677.db2.gz VHXISZSJXNLDIE-IAQYHMDHSA-N 1 0 307.235 4.108 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC001172478588 1051402736 /nfs/dbraw/zinc/40/27/36/1051402736.db2.gz GKMJMZHGSAQSRU-QGZVFWFLSA-N 1 0 308.425 4.438 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000766351616 1051403470 /nfs/dbraw/zinc/40/34/70/1051403470.db2.gz TWBKDZIRTNHLDK-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1 ZINC001172484654 1051403702 /nfs/dbraw/zinc/40/37/02/1051403702.db2.gz BHJYHTOBKZZACH-IAQYHMDHSA-N 1 0 311.351 4.223 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000766351621 1051403889 /nfs/dbraw/zinc/40/38/89/1051403889.db2.gz TWBKDZIRTNHLDK-LIRRHRJNSA-N 1 0 306.409 4.295 20 30 DIEDRO CC(C)COCC[C@H](C)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001172485318 1051404515 /nfs/dbraw/zinc/40/45/15/1051404515.db2.gz WHUNCLOFNLTKIP-KRWDZBQOSA-N 1 0 314.473 4.189 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CCOCC(C)C ZINC001172464341 1051414587 /nfs/dbraw/zinc/41/45/87/1051414587.db2.gz KUZDCQLRCWIRJE-IRXDYDNUSA-N 1 0 305.462 4.353 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC001172506697 1051424367 /nfs/dbraw/zinc/42/43/67/1051424367.db2.gz ZMPMQCDFVLEGES-STQMWFEESA-N 1 0 321.262 4.278 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)Cc1ccccc1Br ZINC001172488816 1051416501 /nfs/dbraw/zinc/41/65/01/1051416501.db2.gz OMAFRQSQLQCRJG-OLZOCXBDSA-N 1 0 309.251 4.052 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC001172487730 1051416710 /nfs/dbraw/zinc/41/67/10/1051416710.db2.gz IZFRDENRMJHVNQ-STQMWFEESA-N 1 0 309.251 4.052 20 30 DIEDRO C[C@H](CCCC#N)n1cc(C[NH3+])c2ccc(Br)cc21 ZINC001172489453 1051416850 /nfs/dbraw/zinc/41/68/50/1051416850.db2.gz SGDAEZANBOCICA-LLVKDONJSA-N 1 0 320.234 4.117 20 30 DIEDRO C[C@@H](CCCC#N)n1cc(C[NH3+])c2ccc(Br)cc21 ZINC001172489454 1051417221 /nfs/dbraw/zinc/41/72/21/1051417221.db2.gz SGDAEZANBOCICA-NSHDSACASA-N 1 0 320.234 4.117 20 30 DIEDRO COc1cccc(CC2(C[NH2+][C@H](C)CCCC#N)CCC2)c1 ZINC001172494376 1051418138 /nfs/dbraw/zinc/41/81/38/1051418138.db2.gz ZUAZSCFEJOQUJM-MRXNPFEDSA-N 1 0 300.446 4.080 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]CCc1ccc(Oc2ccccc2)nc1 ZINC001172494350 1051418733 /nfs/dbraw/zinc/41/87/33/1051418733.db2.gz ZHBHDQXBDBZZJU-INIZCTEOSA-N 1 0 309.413 4.088 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001172495035 1051419017 /nfs/dbraw/zinc/41/90/17/1051419017.db2.gz MCPJZQDVKZFACK-HOJAQTOUSA-N 1 0 312.457 4.107 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1cncn1CCOC ZINC001172501547 1051420145 /nfs/dbraw/zinc/42/01/45/1051420145.db2.gz INFYNONDDUVTIB-QGZVFWFLSA-N 1 0 309.498 4.148 20 30 DIEDRO CC[N@H+](Cc1ccc(Br)cc1)[C@H](C)CCCC#N ZINC001172501769 1051420171 /nfs/dbraw/zinc/42/01/71/1051420171.db2.gz RPXGWFUPRFHFLM-CYBMUJFWSA-N 1 0 309.251 4.353 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC001172501305 1051420189 /nfs/dbraw/zinc/42/01/89/1051420189.db2.gz GJTURJWXJZDXCL-MOPGFXCFSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCN(c2ncccn2)C1 ZINC001172501559 1051420425 /nfs/dbraw/zinc/42/04/25/1051420425.db2.gz IQNALVCQSTWFCB-QZTJIDSGSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+][C@H]1CCN(c2ncccn2)C1 ZINC001172501561 1051420508 /nfs/dbraw/zinc/42/05/08/1051420508.db2.gz IQNALVCQSTWFCB-ROUUACIJSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+][C@H]1CCN(C(=O)C2CC2)C1 ZINC001172501957 1051420735 /nfs/dbraw/zinc/42/07/35/1051420735.db2.gz GPQQUGCOWAYGME-ROUUACIJSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]CC1CCN(C(C)=O)CC1 ZINC001172501586 1051420751 /nfs/dbraw/zinc/42/07/51/1051420751.db2.gz DGOKKNMFDFEABX-IBGZPJMESA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001172501517 1051420778 /nfs/dbraw/zinc/42/07/78/1051420778.db2.gz IDXJPNUSGTWOPS-MSOLQXFVSA-N 1 0 321.509 4.153 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001172499322 1051420976 /nfs/dbraw/zinc/42/09/76/1051420976.db2.gz CWYLHOJUGARPIJ-PBHICJAKSA-N 1 0 306.837 4.266 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCN(c2ncccn2)C1 ZINC001172501565 1051421115 /nfs/dbraw/zinc/42/11/15/1051421115.db2.gz IQNALVCQSTWFCB-ZWKOTPCHSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCN(CC(F)F)CC1 ZINC001172502183 1051422078 /nfs/dbraw/zinc/42/20/78/1051422078.db2.gz OROFKSROEYMJJI-INIZCTEOSA-N 1 0 304.469 4.398 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC001172503861 1051422378 /nfs/dbraw/zinc/42/23/78/1051422378.db2.gz TWAIPQPTXMVLJT-MOPGFXCFSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001172503195 1051422442 /nfs/dbraw/zinc/42/24/42/1051422442.db2.gz WKVWNERGANQZPL-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001172503564 1051422809 /nfs/dbraw/zinc/42/28/09/1051422809.db2.gz AZJCKSFDVQNIOX-MAUKXSAKSA-N 1 0 320.864 4.403 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001172508116 1051424061 /nfs/dbraw/zinc/42/40/61/1051424061.db2.gz GLOPRTIJJIBRBE-MSOLQXFVSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCN(CCCOC)CC1 ZINC001172505411 1051424256 /nfs/dbraw/zinc/42/42/56/1051424256.db2.gz MSDRAISZKTXAPC-IBGZPJMESA-N 1 0 312.542 4.170 20 30 DIEDRO CCCCCCCC[C@H](CC)n1nc(COC)c2c1C[NH2+]C2 ZINC001172505786 1051424524 /nfs/dbraw/zinc/42/45/24/1051424524.db2.gz UXRCKJHBGPIUQO-HNNXBMFYSA-N 1 0 307.482 4.334 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001172505484 1051425218 /nfs/dbraw/zinc/42/52/18/1051425218.db2.gz NZCOEYGQTIFQKK-AEFFLSMTSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001172505914 1051425340 /nfs/dbraw/zinc/42/53/40/1051425340.db2.gz XDPLQCCXQXZWCH-INIZCTEOSA-N 1 0 317.539 4.025 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000766439735 1051425540 /nfs/dbraw/zinc/42/55/40/1051425540.db2.gz UDPUUXFDRCOENM-BURFUSLBSA-N 1 0 300.446 4.282 20 30 DIEDRO CCCCCCC[C@H](CCC)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001172510751 1051426559 /nfs/dbraw/zinc/42/65/59/1051426559.db2.gz IONLSIDAHUWCTP-DLBZAZTESA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001172508744 1051426698 /nfs/dbraw/zinc/42/66/98/1051426698.db2.gz NMXVGWMKUAZYCE-MOPGFXCFSA-N 1 0 324.553 4.359 20 30 DIEDRO C[C@@H](CCCC#N)[N@H+](CCCCCCO)Cc1ccccc1 ZINC001172510059 1051426733 /nfs/dbraw/zinc/42/67/33/1051426733.db2.gz UYLDLEFEXIHSDI-SFHVURJKSA-N 1 0 302.462 4.124 20 30 DIEDRO C[C@H](CCCC#N)[N@H+](CCCCCCO)Cc1ccccc1 ZINC001172510058 1051427012 /nfs/dbraw/zinc/42/70/12/1051427012.db2.gz UYLDLEFEXIHSDI-GOSISDBHSA-N 1 0 302.462 4.124 20 30 DIEDRO CCOc1ccc(NC2CC[NH+]([C@@H](C)CCCC#N)CC2)cc1 ZINC001172509568 1051427033 /nfs/dbraw/zinc/42/70/33/1051427033.db2.gz MLUPEQZKYCCMQG-INIZCTEOSA-N 1 0 315.461 4.044 20 30 DIEDRO CCCCCC[C@@H](CCCC)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001172512613 1051427951 /nfs/dbraw/zinc/42/79/51/1051427951.db2.gz RTZJCVHEILUPKZ-QGZVFWFLSA-N 1 0 322.493 4.294 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172512082 1051428746 /nfs/dbraw/zinc/42/87/46/1051428746.db2.gz YNSVRPJRRIMIGS-GBESFXJTSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCC[C@@H](CCCC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001172517095 1051430300 /nfs/dbraw/zinc/43/03/00/1051430300.db2.gz NQLKUHUSQCBVIV-QGZVFWFLSA-N 1 0 317.477 4.020 20 30 DIEDRO N#Cc1ccccc1OCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172560230 1051440547 /nfs/dbraw/zinc/44/05/47/1051440547.db2.gz OFDXCUYQBWENIK-UYAOXDASSA-N 1 0 320.436 4.253 20 30 DIEDRO CCCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC001172565516 1051445006 /nfs/dbraw/zinc/44/50/06/1051445006.db2.gz JNNHJZZCPHNKGH-QZTJIDSGSA-N 1 0 310.526 4.412 20 30 DIEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001172537390 1051451720 /nfs/dbraw/zinc/45/17/20/1051451720.db2.gz PJTXUJQACBIAOZ-WOJBJXKFSA-N 1 0 320.436 4.253 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001172543993 1051455918 /nfs/dbraw/zinc/45/59/18/1051455918.db2.gz UVZXJFQFTJRPFX-NHCUHLMSSA-N 1 0 304.437 4.417 20 30 DIEDRO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2cccc3ccccc32)CC1 ZINC001168873705 1051461329 /nfs/dbraw/zinc/46/13/29/1051461329.db2.gz RMOCYJDBXJTJSU-UWJYYQICSA-N 1 0 321.468 4.067 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172578795 1051463216 /nfs/dbraw/zinc/46/32/16/1051463216.db2.gz ROZUNVKUXZSURA-JQWIXIFHSA-N 1 0 300.780 4.221 20 30 DIEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172650790 1051470410 /nfs/dbraw/zinc/47/04/10/1051470410.db2.gz OBJKWBMWWHKXRG-JKSUJKDBSA-N 1 0 310.482 4.063 20 30 DIEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172622387 1051476382 /nfs/dbraw/zinc/47/63/82/1051476382.db2.gz MACRIZVDWOGUQX-CVEARBPZSA-N 1 0 310.482 4.110 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001168957870 1051478932 /nfs/dbraw/zinc/47/89/32/1051478932.db2.gz JPJSNBBMLMOWLK-IBGZPJMESA-N 1 0 306.409 4.294 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000766560284 1051481232 /nfs/dbraw/zinc/48/12/32/1051481232.db2.gz MXVNQRRQYHZZNS-RHSMWYFYSA-N 1 0 309.837 4.038 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000766560285 1051481627 /nfs/dbraw/zinc/48/16/27/1051481627.db2.gz MXVNQRRQYHZZNS-WMLDXEAASA-N 1 0 309.837 4.038 20 30 DIEDRO Cc1cc(F)cc(C)c1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001215962917 1051487168 /nfs/dbraw/zinc/48/71/68/1051487168.db2.gz NWHHJIYFYZGYRE-UHFFFAOYSA-N 1 0 315.417 4.107 20 30 DIEDRO CC(C)([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)cc1 ZINC001172709726 1051494177 /nfs/dbraw/zinc/49/41/77/1051494177.db2.gz KCAWTOXRJFRZPZ-SFHVURJKSA-N 1 0 310.828 4.204 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001172761498 1051499454 /nfs/dbraw/zinc/49/94/54/1051499454.db2.gz RQQBNQJVDPNKBF-CVEARBPZSA-N 1 0 319.445 4.022 20 30 DIEDRO CC(C)C[C@H](Cc1ccccc1)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001169060466 1051501862 /nfs/dbraw/zinc/50/18/62/1051501862.db2.gz XPWBJJVKTRMNHO-MRXNPFEDSA-N 1 0 315.848 4.098 20 30 DIEDRO CC(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001169063639 1051502597 /nfs/dbraw/zinc/50/25/97/1051502597.db2.gz ZOFNAXXGYHBWLY-IBGZPJMESA-N 1 0 310.416 4.444 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1)c1ccccc1 ZINC001172786964 1051505699 /nfs/dbraw/zinc/50/56/99/1051505699.db2.gz SOSDMYQCERZFNX-RCCFBDPRSA-N 1 0 301.430 4.015 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCC[C@@H](C(=O)OC)CC1)c1ccccc1 ZINC001172786958 1051506673 /nfs/dbraw/zinc/50/66/73/1051506673.db2.gz SOSDMYQCERZFNX-KZNAEPCWSA-N 1 0 301.430 4.015 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172790741 1051508149 /nfs/dbraw/zinc/50/81/49/1051508149.db2.gz DOGDCQKDGWRNKV-RTBURBONSA-N 1 0 315.457 4.187 20 30 DIEDRO Cc1ccc2c(c1)C[C@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)CC2 ZINC001172826221 1051515816 /nfs/dbraw/zinc/51/58/16/1051515816.db2.gz SDACVBQZLSYEMJ-HXUWFJFHSA-N 1 0 304.437 4.249 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCOC2)cc1 ZINC000766583935 1051517701 /nfs/dbraw/zinc/51/77/01/1051517701.db2.gz XYBKCADSCANJPD-JYJNAYRXSA-N 1 0 323.864 4.284 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cc(C#N)cs1 ZINC001172864699 1051525180 /nfs/dbraw/zinc/52/51/80/1051525180.db2.gz GTKCYIGVEGYALQ-SNVBAGLBSA-N 1 0 308.809 4.133 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cccc(C#N)c1 ZINC001172838704 1051526385 /nfs/dbraw/zinc/52/63/85/1051526385.db2.gz YLAVJGLVHTYQBN-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001172843074 1051530237 /nfs/dbraw/zinc/53/02/37/1051530237.db2.gz UPTLQVQKJPFOMW-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001172843072 1051530454 /nfs/dbraw/zinc/53/04/54/1051530454.db2.gz UPTLQVQKJPFOMW-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C=CCc1cc(C)cnc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169142284 1051533951 /nfs/dbraw/zinc/53/39/51/1051533951.db2.gz MGIKPOLWXWDPED-QFBILLFUSA-N 1 0 301.478 4.074 20 30 DIEDRO C=CCOCc1cccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169151213 1051537002 /nfs/dbraw/zinc/53/70/02/1051537002.db2.gz HAIUNHPUOMNGDS-QUCCMNQESA-N 1 0 316.489 4.345 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC#Cc1ccccc1 ZINC001172851434 1051537378 /nfs/dbraw/zinc/53/73/78/1051537378.db2.gz JEWABDHAEJXTCJ-CQSZACIVSA-N 1 0 301.792 4.051 20 30 DIEDRO CC1(C)C[C@@H](Nc2cccc3[nH]cc(CC#N)c32)C[C@](C)(C[NH3+])C1 ZINC001169151265 1051537993 /nfs/dbraw/zinc/53/79/93/1051537993.db2.gz HWYWZVCBSQKOQP-QRWLVFNGSA-N 1 0 324.472 4.190 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H]2C ZINC001169162021 1051539707 /nfs/dbraw/zinc/53/97/07/1051539707.db2.gz AOUBTOCGQPFVQL-HZPDHXFCSA-N 1 0 320.436 4.383 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001172853544 1051540000 /nfs/dbraw/zinc/54/00/00/1051540000.db2.gz MRKUQAOGBNCHOL-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO C#Cc1cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)ccc1F ZINC001212690590 1051551072 /nfs/dbraw/zinc/55/10/72/1051551072.db2.gz OZHMVZKBHXQHAI-UHFFFAOYSA-N 1 0 308.400 4.360 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000177909345 1051555447 /nfs/dbraw/zinc/55/54/47/1051555447.db2.gz ZMRHGLMMYRZSPL-KRWDZBQOSA-N 1 0 316.489 4.022 20 30 DIEDRO C#CCCC1(CC[NH2+][C@H](C)CSc2ccc(Cl)cc2)N=N1 ZINC001172879427 1051561853 /nfs/dbraw/zinc/56/18/53/1051561853.db2.gz ZVIXSSDZEDPQBG-CYBMUJFWSA-N 1 0 321.877 4.376 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCC(CC#N)CC1 ZINC001172880883 1051563696 /nfs/dbraw/zinc/56/36/96/1051563696.db2.gz ZJXLXVWFCLSAHK-CYBMUJFWSA-N 1 0 308.878 4.446 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC#Cc1ccccc1 ZINC001172883798 1051566505 /nfs/dbraw/zinc/56/65/05/1051566505.db2.gz UOPJRHXLGVTVIM-OAHLLOKOSA-N 1 0 315.869 4.462 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921817 1051572153 /nfs/dbraw/zinc/57/21/53/1051572153.db2.gz UHYKJMPMEKDKIC-KRWDZBQOSA-N 1 0 302.418 4.130 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921819 1051572665 /nfs/dbraw/zinc/57/26/65/1051572665.db2.gz UHYKJMPMEKDKIC-QGZVFWFLSA-N 1 0 302.418 4.130 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000178645311 1051579355 /nfs/dbraw/zinc/57/93/55/1051579355.db2.gz VBIXMJYQIPDLEK-NEPJUHHUSA-N 1 0 315.244 4.433 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)C1CCC2(CCOCC2)CC1 ZINC001173042949 1051591906 /nfs/dbraw/zinc/59/19/06/1051591906.db2.gz AOTGOPAORJVXHZ-UHFFFAOYSA-N 1 0 312.457 4.142 20 30 DIEDRO CCC[N@H+](CCC#N)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084562 1051605386 /nfs/dbraw/zinc/60/53/86/1051605386.db2.gz SUNYJBHJABYNSP-ZDUSSCGKSA-N 1 0 314.351 4.142 20 30 DIEDRO CC(C)([NH3+])c1ccccc1N[C@](C)(C#N)c1ccccc1Cl ZINC001169391227 1051605753 /nfs/dbraw/zinc/60/57/53/1051605753.db2.gz UYDXFBIFHXJMSF-GOSISDBHSA-N 1 0 313.832 4.385 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NC=CC(=O)C(F)(F)F)cc1 ZINC001169480214 1051622699 /nfs/dbraw/zinc/62/26/99/1051622699.db2.gz ALFRDLNHRURUOJ-FEAKQIBJSA-N 1 0 324.346 4.067 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1F ZINC001216222385 1051631620 /nfs/dbraw/zinc/63/16/20/1051631620.db2.gz BEEPYKGSIWAHHQ-UHFFFAOYSA-N 1 0 323.293 4.179 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2c(Cl)cc(Cl)cc2C#N)c1F ZINC001216222514 1051631674 /nfs/dbraw/zinc/63/16/74/1051631674.db2.gz HRKBHNCJHIMGLP-UHFFFAOYSA-N 1 0 324.186 4.467 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2cc(C#N)cn2C(C)(C)C)c1F ZINC001216227377 1051635399 /nfs/dbraw/zinc/63/53/99/1051635399.db2.gz DJFFXIKWHUHKFW-UHFFFAOYSA-N 1 0 314.408 4.059 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)ccc1F ZINC000493573432 1051636068 /nfs/dbraw/zinc/63/60/68/1051636068.db2.gz PBGKLHDZQYJNSI-FXAWDEMLSA-N 1 0 308.400 4.198 20 30 DIEDRO Cc1cc(C#N)c(Nc2cccc(C[NH+](C)C)c2F)cc1Cl ZINC001216231681 1051639033 /nfs/dbraw/zinc/63/90/33/1051639033.db2.gz BNYWKNALOQTFRT-UHFFFAOYSA-N 1 0 317.795 4.464 20 30 DIEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001169570448 1051646509 /nfs/dbraw/zinc/64/65/09/1051646509.db2.gz WVIFTHUGZQCRPG-WFASDCNBSA-N 1 0 322.399 4.464 20 30 DIEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001169570445 1051646915 /nfs/dbraw/zinc/64/69/15/1051646915.db2.gz WVIFTHUGZQCRPG-DOMZBBRYSA-N 1 0 322.399 4.464 20 30 DIEDRO CCc1ccc(C[C@H](C)[N@@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001173253219 1051655545 /nfs/dbraw/zinc/65/55/45/1051655545.db2.gz RDWRFJLBLZAGPV-INIZCTEOSA-N 1 0 304.437 4.110 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H](CCCC)CC(C)C)CC2 ZINC001173255769 1051656604 /nfs/dbraw/zinc/65/66/04/1051656604.db2.gz CNSXBAKYXOPIJN-GOSISDBHSA-N 1 0 320.521 4.234 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001169686882 1051671065 /nfs/dbraw/zinc/67/10/65/1051671065.db2.gz NYJVPBVUJUBJKD-IBGZPJMESA-N 1 0 311.510 4.397 20 30 DIEDRO CCc1ccc(C[C@H](C)[NH2+][C@@H]2CCc3c2cccc3C#N)cc1 ZINC001173241584 1051672606 /nfs/dbraw/zinc/67/26/06/1051672606.db2.gz OJPFNFVZWPPBRH-YCRPNKLZSA-N 1 0 304.437 4.329 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nc(C)c(C)c(C)c1C#N ZINC001169695577 1051675171 /nfs/dbraw/zinc/67/51/71/1051675171.db2.gz HDLQSMXMCYBTGT-SFHVURJKSA-N 1 0 320.440 4.119 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OCC)CC1 ZINC001169672767 1051677053 /nfs/dbraw/zinc/67/70/53/1051677053.db2.gz ROIQGIXDDOAKME-SJORKVTESA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CCC(NC(N)=O)CC1 ZINC001173308532 1051681402 /nfs/dbraw/zinc/68/14/02/1051681402.db2.gz ATRJNKQGWZCNSG-QGZVFWFLSA-N 1 0 311.514 4.038 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+][C@@H](CCSC)C(N)=O ZINC001173308781 1051682177 /nfs/dbraw/zinc/68/21/77/1051682177.db2.gz CCRWXBNEOBAOFI-HOTGVXAUSA-N 1 0 316.555 4.102 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](C)COc2c(C)cccc2C)CC1 ZINC001173314034 1051682334 /nfs/dbraw/zinc/68/23/34/1051682334.db2.gz FIVVRYGSNIECRY-LMDPOFIKSA-N 1 0 317.473 4.174 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001173310845 1051683609 /nfs/dbraw/zinc/68/36/09/1051683609.db2.gz ZDMLCODXEOFYHZ-PMACEKPBSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001173310864 1051684147 /nfs/dbraw/zinc/68/41/47/1051684147.db2.gz ZISUDVFOCMMBEY-IEBWSBKVSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC001173284269 1051688748 /nfs/dbraw/zinc/68/87/48/1051688748.db2.gz DUJOYGZTJOPGCI-MSOLQXFVSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]CC1(O)CCOCC1 ZINC001173284725 1051689001 /nfs/dbraw/zinc/68/90/01/1051689001.db2.gz IGTNJEOELDCJLT-SFHVURJKSA-N 1 0 313.526 4.427 20 30 DIEDRO CC(C)(C#N)CCCN1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494124841 1051691410 /nfs/dbraw/zinc/69/14/10/1051691410.db2.gz JJRIALIOQQSMQO-UHFFFAOYSA-N 1 0 315.848 4.440 20 30 DIEDRO C=CCOC1CCC([NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001173322408 1051692315 /nfs/dbraw/zinc/69/23/15/1051692315.db2.gz DOKMCHJMOWOALI-UHFFFAOYSA-N 1 0 315.457 4.085 20 30 DIEDRO C=CCOC1CCC([N@H+](CC)Cc2ccc(OC)cc2)CC1 ZINC001173322847 1051692968 /nfs/dbraw/zinc/69/29/68/1051692968.db2.gz NFSRTOWBBIAWSS-UHFFFAOYSA-N 1 0 303.446 4.031 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173322118 1051693005 /nfs/dbraw/zinc/69/30/05/1051693005.db2.gz VIDBENAHAUZSPW-CTWPCTMYSA-N 1 0 303.421 4.476 20 30 DIEDRO C=CCOC1CCC([NH+]2CCC(c3cccc(O)c3)CC2)CC1 ZINC001173322250 1051693097 /nfs/dbraw/zinc/69/30/97/1051693097.db2.gz AEXGBOYEIIWOHJ-UHFFFAOYSA-N 1 0 315.457 4.085 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001173326321 1051693131 /nfs/dbraw/zinc/69/31/31/1051693131.db2.gz XOWGKEBUVLGMRG-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO N#CCC1CCC([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001173324708 1051693152 /nfs/dbraw/zinc/69/31/52/1051693152.db2.gz URIZHUFGVLWTJG-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC001173326927 1051694391 /nfs/dbraw/zinc/69/43/91/1051694391.db2.gz VUQBPQJPPFGMQI-UHFFFAOYSA-N 1 0 305.849 4.212 20 30 DIEDRO N#CCC1CCC(n2cc(C[NH3+])c3cc(Cl)ccc32)CC1 ZINC001173330470 1051694424 /nfs/dbraw/zinc/69/44/24/1051694424.db2.gz REMQQCGLERTOIN-UHFFFAOYSA-N 1 0 301.821 4.398 20 30 DIEDRO N#CCC1CCC(n2cc(CC[NH3+])c3ccc(Cl)cc32)CC1 ZINC001173331274 1051694651 /nfs/dbraw/zinc/69/46/51/1051694651.db2.gz AHLZPEZCVUCYNY-UHFFFAOYSA-N 1 0 315.848 4.441 20 30 DIEDRO N#CCC1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC001173329891 1051694714 /nfs/dbraw/zinc/69/47/14/1051694714.db2.gz OXIIHEUJYPEOJX-UHFFFAOYSA-N 1 0 302.849 4.434 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001173326539 1051694814 /nfs/dbraw/zinc/69/48/14/1051694814.db2.gz JPHQQTYCPOXXQH-UHFFFAOYSA-N 1 0 305.849 4.212 20 30 DIEDRO N#CCC1CCC([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001173328716 1051694924 /nfs/dbraw/zinc/69/49/24/1051694924.db2.gz LAKMVOMVHYXQTP-SYGMWZTRSA-N 1 0 302.849 4.259 20 30 DIEDRO C[N@H+](Cc1ncccc1C(F)(F)F)C1CCC(CC#N)CC1 ZINC001173330823 1051695029 /nfs/dbraw/zinc/69/50/29/1051695029.db2.gz FMIHMSAABXBSAV-UHFFFAOYSA-N 1 0 311.351 4.005 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+]C2CCC(CC#N)CC2)cc1 ZINC001173329937 1051695160 /nfs/dbraw/zinc/69/51/60/1051695160.db2.gz PPPUTIIHRHWGGB-UHFFFAOYSA-N 1 0 300.446 4.078 20 30 DIEDRO N#CCC1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC001173330724 1051695499 /nfs/dbraw/zinc/69/54/99/1051695499.db2.gz VCYBDHSRWQHQSF-UHFFFAOYSA-N 1 0 302.384 4.417 20 30 DIEDRO C=CCOC1CCC([N@H+](C)CCc2ccccc2Cl)CC1 ZINC001173327789 1051695513 /nfs/dbraw/zinc/69/55/13/1051695513.db2.gz RWMSNUUPRVRNCS-UHFFFAOYSA-N 1 0 307.865 4.328 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cccc(OCC3CCC3)c2)CC1 ZINC001173328862 1051695738 /nfs/dbraw/zinc/69/57/38/1051695738.db2.gz RCMNOFHMRRTYLD-UHFFFAOYSA-N 1 0 312.457 4.428 20 30 DIEDRO N#CCC1CCC([NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC001173330879 1051695755 /nfs/dbraw/zinc/69/57/55/1051695755.db2.gz WNXWUUKFUXUYSO-RRWXTXHCSA-N 1 0 312.457 4.216 20 30 DIEDRO COc1ccc(CC(C)(C)C[NH2+]C2CCC(CC#N)CC2)cc1 ZINC001173333684 1051696834 /nfs/dbraw/zinc/69/68/34/1051696834.db2.gz PDWNSPUEBUHHKX-UHFFFAOYSA-N 1 0 314.473 4.326 20 30 DIEDRO N#CCC1CCC(NC(=[NH2+])Cc2cccc(C(F)(F)F)c2)CC1 ZINC001173333653 1051696947 /nfs/dbraw/zinc/69/69/47/1051696947.db2.gz LHJZHWIUPDKMJX-UHFFFAOYSA-N 1 0 323.362 4.287 20 30 DIEDRO N#CCC1CCC([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001173331002 1051697108 /nfs/dbraw/zinc/69/71/08/1051697108.db2.gz JIEZIYAOASVEAN-XTXLOEGASA-N 1 0 319.452 4.366 20 30 DIEDRO COc1ccccc1CC1([NH2+]C2CCC(CC#N)CC2)CCC1 ZINC001173333833 1051697623 /nfs/dbraw/zinc/69/76/23/1051697623.db2.gz QPFSZRSTMBOLRQ-UHFFFAOYSA-N 1 0 312.457 4.222 20 30 DIEDRO N#CCC1CCC([NH2+]C2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001173333782 1051697721 /nfs/dbraw/zinc/69/77/21/1051697721.db2.gz PZSLFGFUBDDDPR-UHFFFAOYSA-N 1 0 300.421 4.353 20 30 DIEDRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC(CC#N)CC1 ZINC001173333697 1051697730 /nfs/dbraw/zinc/69/77/30/1051697730.db2.gz LUZRNGREKVXDJQ-JCYILVPMSA-N 1 0 322.493 4.195 20 30 DIEDRO COc1ccc(CC(C)(C)[NH2+]C2CCC(CC#N)CC2)cc1 ZINC001173331739 1051697832 /nfs/dbraw/zinc/69/78/32/1051697832.db2.gz FDSQBCODPKFHPQ-UHFFFAOYSA-N 1 0 300.446 4.078 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC001173335755 1051697854 /nfs/dbraw/zinc/69/78/54/1051697854.db2.gz XIQVEYCYTTYXNK-UHFFFAOYSA-N 1 0 316.420 4.141 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(Sc3ccncc3)CC2)CC1 ZINC001173338108 1051698560 /nfs/dbraw/zinc/69/85/60/1051698560.db2.gz XTTSCBQUCKRKJO-UHFFFAOYSA-N 1 0 315.486 4.111 20 30 DIEDRO N#CCC1CCC(n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)CC1 ZINC001173337718 1051699518 /nfs/dbraw/zinc/69/95/18/1051699518.db2.gz SBMJLRVEEJXVQP-LEOMRAHMSA-N 1 0 322.456 4.496 20 30 DIEDRO [NH2+]=C(N[C@H]1CCCC2(CCCCC2)C1)c1ccc(Cl)cn1 ZINC001173347486 1051706062 /nfs/dbraw/zinc/70/60/62/1051706062.db2.gz DKXPMRXCTMGQMW-AWEZNQCLSA-N 1 0 305.853 4.333 20 30 DIEDRO C=CCOC1CCC([NH2+]CCCc2cccc(Cl)c2)CC1 ZINC001173314198 1051707780 /nfs/dbraw/zinc/70/77/80/1051707780.db2.gz LYONYHNPPQCYNR-UHFFFAOYSA-N 1 0 307.865 4.376 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001173314407 1051708825 /nfs/dbraw/zinc/70/88/25/1051708825.db2.gz PZZWOTJVDBOKFY-LEOMRAHMSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CCOC1CCC([NH2+]CCCCCCCCCCO)CC1 ZINC001173314134 1051709806 /nfs/dbraw/zinc/70/98/06/1051709806.db2.gz JIWWPJZLHAWXKY-UHFFFAOYSA-N 1 0 311.510 4.203 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2ccccc2OC)C2CC2)CC1 ZINC001173317149 1051710522 /nfs/dbraw/zinc/71/05/22/1051710522.db2.gz CBTMDFWLSUCIQX-UHYCVJNDSA-N 1 0 315.457 4.250 20 30 DIEDRO C=CCOC1CCC([NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC001173316975 1051711209 /nfs/dbraw/zinc/71/12/09/1051711209.db2.gz QCXFIFVPKSLOAP-UHFFFAOYSA-N 1 0 301.474 4.456 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001173319013 1051711231 /nfs/dbraw/zinc/71/12/31/1051711231.db2.gz UXUUDHZXFVRERF-JMLCCBQJSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(Cc3ccccc3F)CCC2)CC1 ZINC001173318915 1051711245 /nfs/dbraw/zinc/71/12/45/1051711245.db2.gz QBAXXMZHDNUAIC-UHFFFAOYSA-N 1 0 317.448 4.394 20 30 DIEDRO C=CCOC1CCC(n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001173318369 1051711404 /nfs/dbraw/zinc/71/14/04/1051711404.db2.gz RISINQKRMHVSAB-GTPINHCMSA-N 1 0 324.468 4.144 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001173318153 1051711465 /nfs/dbraw/zinc/71/14/65/1051711465.db2.gz WFHMEHNPRWLJPN-LEOMRAHMSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2cc(C(=O)OC)ccc2F)CCCC1(C)C ZINC001169844142 1051711706 /nfs/dbraw/zinc/71/17/06/1051711706.db2.gz KUXRAGRIDLZWOE-QGZVFWFLSA-N 1 0 319.420 4.179 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001173318538 1051711702 /nfs/dbraw/zinc/71/17/02/1051711702.db2.gz ZGNUYKTTZYEXHO-UHFFFAOYSA-N 1 0 322.452 4.352 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(Cc3cccc(F)c3)CC2)CC1 ZINC001173318986 1051711752 /nfs/dbraw/zinc/71/17/52/1051711752.db2.gz TUGLAPFPLLFVRD-UHFFFAOYSA-N 1 0 303.421 4.004 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccccc2F)C2CC2)CC1 ZINC001173318556 1051711887 /nfs/dbraw/zinc/71/18/87/1051711887.db2.gz ZYPHNHQZOYMUJB-LADRWXRNSA-N 1 0 303.421 4.380 20 30 DIEDRO C=CCOC1CCC([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001173319080 1051712778 /nfs/dbraw/zinc/71/27/78/1051712778.db2.gz XFZFNCASEYQDBP-UHFFFAOYSA-N 1 0 317.448 4.252 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001173319484 1051713641 /nfs/dbraw/zinc/71/36/41/1051713641.db2.gz JNUMJCQENWPPOS-ZOJXTTQQSA-N 1 0 321.411 4.446 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)CC1 ZINC001173319844 1051713984 /nfs/dbraw/zinc/71/39/84/1051713984.db2.gz YAPZBLAYUBVWRG-RBAFREBBSA-N 1 0 305.384 4.211 20 30 DIEDRO COC(=O)CCCC[C@H](C)[N@H+](CCC#N)C1CCCCCCC1 ZINC001173455724 1051729574 /nfs/dbraw/zinc/72/95/74/1051729574.db2.gz UGCIDEUQHOUNPB-KRWDZBQOSA-N 1 0 322.493 4.437 20 30 DIEDRO CCc1ccccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001169942522 1051732600 /nfs/dbraw/zinc/73/26/00/1051732600.db2.gz NSULMVVAKDRKOG-UHFFFAOYSA-N 1 0 320.436 4.164 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)C[Si](C)(C)c1ccccc1 ZINC001169952989 1051735877 /nfs/dbraw/zinc/73/58/77/1051735877.db2.gz NRHXANMIFVZWSB-UHFFFAOYSA-N 1 0 309.529 4.220 20 30 DIEDRO C#CCCC[N@@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000766896620 1051738890 /nfs/dbraw/zinc/73/88/90/1051738890.db2.gz VLGUMZZZKRYUTA-AWEZNQCLSA-N 1 0 313.363 4.128 20 30 DIEDRO C#CCCC[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000766895152 1051739062 /nfs/dbraw/zinc/73/90/62/1051739062.db2.gz JOHZRAOEADNCHL-HNNXBMFYSA-N 1 0 322.246 4.008 20 30 DIEDRO C#CCCC[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000766903349 1051741428 /nfs/dbraw/zinc/74/14/28/1051741428.db2.gz CWAVCAQYSGVBPJ-OAHLLOKOSA-N 1 0 307.869 4.051 20 30 DIEDRO Cc1cc(C)cc(OC[C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC001173587023 1051754112 /nfs/dbraw/zinc/75/41/12/1051754112.db2.gz KMJDLSURVPIITA-LRYGQEGESA-N 1 0 300.446 4.133 20 30 DIEDRO C#CCC(C)(C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000767070853 1051754681 /nfs/dbraw/zinc/75/46/81/1051754681.db2.gz CRJOWIBLLRUALD-INIZCTEOSA-N 1 0 312.457 4.049 20 30 DIEDRO CCc1cc2c(cc1CC)CC([NH2+]C1CCC(C)(C#N)CC1)C2 ZINC001173591851 1051754823 /nfs/dbraw/zinc/75/48/23/1051754823.db2.gz UUXDRGJJMMHMPH-UHFFFAOYSA-N 1 0 310.485 4.341 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001173590808 1051755087 /nfs/dbraw/zinc/75/50/87/1051755087.db2.gz COLHXBGRPZKAMM-UHFFFAOYSA-N 1 0 313.376 4.043 20 30 DIEDRO CC1(C#N)CCC(Nc2ccc(C[NH3+])cc2C(F)(F)F)CC1 ZINC001173591275 1051755349 /nfs/dbraw/zinc/75/53/49/1051755349.db2.gz WPBGZDKYBGAPAB-UHFFFAOYSA-N 1 0 311.351 4.048 20 30 DIEDRO COc1cccc(CC2([NH2+]C3CCC(C)(C#N)CC3)CCC2)c1 ZINC001173590765 1051755684 /nfs/dbraw/zinc/75/56/84/1051755684.db2.gz BHMAKVDFOPFFKJ-UHFFFAOYSA-N 1 0 312.457 4.222 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001173591174 1051756063 /nfs/dbraw/zinc/75/60/63/1051756063.db2.gz VFUHPDPXMWBSCK-ADKAHSJRSA-N 1 0 302.849 4.259 20 30 DIEDRO Cc1ccc(Cl)c(CC[NH2+]C2CCC(C)(C#N)CC2)c1F ZINC001173591324 1051756273 /nfs/dbraw/zinc/75/62/73/1051756273.db2.gz YZNWOYSHGFKDQM-UHFFFAOYSA-N 1 0 308.828 4.392 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173601002 1051757186 /nfs/dbraw/zinc/75/71/86/1051757186.db2.gz NGQVAPQZIKVNAQ-PGYGNJIDSA-N 1 0 312.457 4.347 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173599384 1051757626 /nfs/dbraw/zinc/75/76/26/1051757626.db2.gz KSCDYKZWDPEKJR-LXPRWKDFSA-N 1 0 318.461 4.388 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC1 ZINC001173593037 1051758264 /nfs/dbraw/zinc/75/82/64/1051758264.db2.gz GXADGEJMTZHPFI-GNHJJJEISA-N 1 0 303.837 4.248 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000152975732 1051760319 /nfs/dbraw/zinc/76/03/19/1051760319.db2.gz DFFLVPNQTPBBDZ-CQSZACIVSA-N 1 0 322.880 4.040 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1Cl ZINC000806164738 1051766481 /nfs/dbraw/zinc/76/64/81/1051766481.db2.gz BVHHUWKQNIYQPH-CQSZACIVSA-N 1 0 318.207 4.037 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000806167632 1051768092 /nfs/dbraw/zinc/76/80/92/1051768092.db2.gz CBQUVPDJXJLLPB-MRXNPFEDSA-N 1 0 316.445 4.430 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc2c(cc1O)CCCC2 ZINC000806178801 1051772681 /nfs/dbraw/zinc/77/26/81/1051772681.db2.gz ZRDVBSZGKKPGGR-CQSZACIVSA-N 1 0 300.446 4.252 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc2c(cc1O)CCCC2 ZINC000806178800 1051773000 /nfs/dbraw/zinc/77/30/00/1051773000.db2.gz ZRDVBSZGKKPGGR-AWEZNQCLSA-N 1 0 300.446 4.252 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CC[C@H](CC(=O)OCC)C1)c1ccccc1 ZINC001173652005 1051777431 /nfs/dbraw/zinc/77/74/31/1051777431.db2.gz PVIJCRZXJXYHRU-RYQLBKOJSA-N 1 0 301.430 4.015 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185780614 1051784434 /nfs/dbraw/zinc/78/44/34/1051784434.db2.gz BKHXKBZRMOILOE-INWMFGNUSA-N 1 0 321.262 4.052 20 30 DIEDRO N#CCSCCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185790389 1051784660 /nfs/dbraw/zinc/78/46/60/1051784660.db2.gz MLAXPBXIJMDJCC-UHFFFAOYSA-N 1 0 308.878 4.166 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC001173724635 1051785146 /nfs/dbraw/zinc/78/51/46/1051785146.db2.gz ZEOZIZOMUKVXKQ-OXJNMPFZSA-N 1 0 323.436 4.311 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185894554 1051788326 /nfs/dbraw/zinc/78/83/26/1051788326.db2.gz KJXGEZQNHBNXNU-VNHYZAJKSA-N 1 0 310.363 4.308 20 30 DIEDRO CCCCCCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806332376 1051788337 /nfs/dbraw/zinc/78/83/37/1051788337.db2.gz NAACLILWHKGTPT-JWTNVVGKSA-N 1 0 323.525 4.004 20 30 DIEDRO Cc1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c(C)o1 ZINC000767375800 1051798259 /nfs/dbraw/zinc/79/82/59/1051798259.db2.gz RHXGSCBTCIJJKZ-UHFFFAOYSA-N 1 0 307.315 4.057 20 30 DIEDRO N#Cc1c2c(sc1Nc1c[nH+]cn1Cc1ccccc1)CCC2 ZINC001216550038 1051813690 /nfs/dbraw/zinc/81/36/90/1051813690.db2.gz HJKPHOOBSFXMEP-UHFFFAOYSA-N 1 0 320.421 4.097 20 30 DIEDRO N#Cc1ccc(Cl)cc1Nc1c[nH+]cn1Cc1ccccc1 ZINC001216553729 1051815328 /nfs/dbraw/zinc/81/53/28/1051815328.db2.gz UWIKOBXKCPJBTO-UHFFFAOYSA-N 1 0 308.772 4.200 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494287846 1051871529 /nfs/dbraw/zinc/87/15/29/1051871529.db2.gz MWHWYDBEDUNSMQ-WJDWOHSUSA-N 1 0 306.409 4.102 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000609194892 1051882908 /nfs/dbraw/zinc/88/29/08/1051882908.db2.gz PHYWSUBPOJNRAJ-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1 ZINC000768194117 1051899799 /nfs/dbraw/zinc/89/97/99/1051899799.db2.gz ZZTNBFMPGLAJRN-HRAATJIYSA-N 1 0 320.436 4.487 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494478208 1051900816 /nfs/dbraw/zinc/90/08/16/1051900816.db2.gz SKZMDVXJMDSEKL-SNVBAGLBSA-N 1 0 302.296 4.058 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@H+](Cc2ccccc2)C2CC2)cc1 ZINC000768230555 1051907143 /nfs/dbraw/zinc/90/71/43/1051907143.db2.gz RMWPANUOKFHNLF-UHFFFAOYSA-N 1 0 319.452 4.201 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C2CC2)o1 ZINC000768258693 1051910833 /nfs/dbraw/zinc/91/08/33/1051910833.db2.gz VYXGHSXNYMWUDS-UHFFFAOYSA-N 1 0 323.440 4.103 20 30 DIEDRO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1ccccc1C ZINC000768335251 1051918224 /nfs/dbraw/zinc/91/82/24/1051918224.db2.gz KPXRYVLVTXPIEM-UHFFFAOYSA-N 1 0 321.468 4.367 20 30 DIEDRO CC(C)[N@H+](Cc1cccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768334943 1051918340 /nfs/dbraw/zinc/91/83/40/1051918340.db2.gz RYKKSDDVMFPIDH-HNNXBMFYSA-N 1 0 314.454 4.450 20 30 DIEDRO Cc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(Cl)c1 ZINC001174045103 1051963647 /nfs/dbraw/zinc/96/36/47/1051963647.db2.gz YLEOQTQJQHTAIK-UHFFFAOYSA-N 1 0 317.845 4.313 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC000768852570 1051968781 /nfs/dbraw/zinc/96/87/81/1051968781.db2.gz VIALLOPNKNXYOI-JSJNYSNDSA-N 1 0 312.457 4.378 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](CC)[C@H](C)c2cccc(O)c2)cc1 ZINC000768872184 1051974929 /nfs/dbraw/zinc/97/49/29/1051974929.db2.gz FMSDOWGBLQCFAI-QGZVFWFLSA-N 1 0 323.436 4.377 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191531453 1051975895 /nfs/dbraw/zinc/97/58/95/1051975895.db2.gz DZACMPIQSXCRNZ-AVGNSLFASA-N 1 0 303.381 4.127 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000191664468 1051981949 /nfs/dbraw/zinc/98/19/49/1051981949.db2.gz PJVUFHVABIGQDD-LJQANCHMSA-N 1 0 309.409 4.124 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000769039443 1051990516 /nfs/dbraw/zinc/99/05/16/1051990516.db2.gz VUNBBLSPNDCQHM-FUUYNRHESA-N 1 0 323.484 4.047 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000769106645 1051996621 /nfs/dbraw/zinc/99/66/21/1051996621.db2.gz VTVMJKDYVRULHW-QRWLVFNGSA-N 1 0 322.408 4.020 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769110356 1051998563 /nfs/dbraw/zinc/99/85/63/1051998563.db2.gz CHGLXORLUSFRTC-SFHVURJKSA-N 1 0 320.436 4.208 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000769337595 1052026084 /nfs/dbraw/zinc/02/60/84/1052026084.db2.gz FVDMQISNUSTINZ-CRAIPNDOSA-N 1 0 324.399 4.106 20 30 DIEDRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000769341466 1052027561 /nfs/dbraw/zinc/02/75/61/1052027561.db2.gz ZWCBKBPTECHRJO-XHSDSOJGSA-N 1 0 300.446 4.376 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000808430725 1052030753 /nfs/dbraw/zinc/03/07/53/1052030753.db2.gz YJLGQNLIZPVJHT-UHFFFAOYSA-N 1 0 308.425 4.479 20 30 DIEDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769353282 1052031097 /nfs/dbraw/zinc/03/10/97/1052031097.db2.gz VKADBBVZMREYGL-KRWDZBQOSA-N 1 0 319.452 4.156 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000193353311 1052040777 /nfs/dbraw/zinc/04/07/77/1052040777.db2.gz HFBUSNPBUFKEKO-SCRDCRAPSA-N 1 0 312.335 4.318 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769427503 1052048095 /nfs/dbraw/zinc/04/80/95/1052048095.db2.gz MEXRGDIKYDBWPG-IIBYNOLFSA-N 1 0 320.436 4.487 20 30 DIEDRO C=CCCC(C)(C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001131385167 1052053487 /nfs/dbraw/zinc/05/34/87/1052053487.db2.gz RXPKSUOBOJUKFX-UHFFFAOYSA-N 1 0 314.473 4.147 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769488503 1052053614 /nfs/dbraw/zinc/05/36/14/1052053614.db2.gz QWEAEEQCMRHPPV-XLIONFOSSA-N 1 0 322.452 4.431 20 30 DIEDRO C=CC[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000670091458 1052056578 /nfs/dbraw/zinc/05/65/78/1052056578.db2.gz MKKARGRLXYCOLW-HZPDHXFCSA-N 1 0 310.844 4.169 20 30 DIEDRO C=CC[NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000670091457 1052056610 /nfs/dbraw/zinc/05/66/10/1052056610.db2.gz MKKARGRLXYCOLW-HOTGVXAUSA-N 1 0 310.844 4.169 20 30 DIEDRO CCC[C@]1(C)CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769452546 1052058499 /nfs/dbraw/zinc/05/84/99/1052058499.db2.gz XLOGFXIPPSLNIC-VQIMIIECSA-N 1 0 300.446 4.380 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808691603 1052061187 /nfs/dbraw/zinc/06/11/87/1052061187.db2.gz JKOYZKKHJUUZDE-AWEZNQCLSA-N 1 0 322.880 4.045 20 30 DIEDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(C#N)c2)c1O ZINC000808675781 1052067767 /nfs/dbraw/zinc/06/77/67/1052067767.db2.gz SHHQPABLQFZZGP-LBPRGKRZSA-N 1 0 300.789 4.077 20 30 DIEDRO CC(C)C[C@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769505715 1052068344 /nfs/dbraw/zinc/06/83/44/1052068344.db2.gz LVEFVJWQDZLQEH-SJLPKXTDSA-N 1 0 300.446 4.236 20 30 DIEDRO CC[N@H+](CC[C@H](O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000808711417 1052072984 /nfs/dbraw/zinc/07/29/84/1052072984.db2.gz GCEAKQPHKXEBKG-UZLBHIALSA-N 1 0 308.425 4.065 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1cccc(C#N)c1 ZINC000769519164 1052074058 /nfs/dbraw/zinc/07/40/58/1052074058.db2.gz IIZYXJPOJFXXBZ-AWEZNQCLSA-N 1 0 322.408 4.054 20 30 DIEDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000769550055 1052080523 /nfs/dbraw/zinc/08/05/23/1052080523.db2.gz YPLMBZTWHLEXPW-SFTDATJTSA-N 1 0 319.452 4.024 20 30 DIEDRO Cc1ccc(N2CCC[N@H+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000769708902 1052096113 /nfs/dbraw/zinc/09/61/13/1052096113.db2.gz MUJQVUOUCOVZAW-UHFFFAOYSA-N 1 0 313.489 4.227 20 30 DIEDRO C[C@@H]1CC[NH2+]CC[C@@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217786949 1052141679 /nfs/dbraw/zinc/14/16/79/1052141679.db2.gz ICFPRBKMCWYGLI-HOWSWSOSSA-N 1 0 308.425 4.170 20 30 DIEDRO CCCCCCCCCCCCOC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001217796606 1052144418 /nfs/dbraw/zinc/14/44/18/1052144418.db2.gz MJMOSXNAIWTHEL-GUDVDZBRSA-N 1 0 311.510 4.158 20 30 DIEDRO Cc1cc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)c1 ZINC000761756616 1052152001 /nfs/dbraw/zinc/15/20/01/1052152001.db2.gz BLDDPUQZTNERHP-OAQYLSRUSA-N 1 0 320.436 4.057 20 30 DIEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761759437 1052154855 /nfs/dbraw/zinc/15/48/55/1052154855.db2.gz OQBOLHBXZBHPPF-OXJNMPFZSA-N 1 0 306.409 4.001 20 30 DIEDRO CCCCCCC[C@H](CC)OC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217889880 1052164837 /nfs/dbraw/zinc/16/48/37/1052164837.db2.gz FAQMBSUXSYQQOU-ZWKOTPCHSA-N 1 0 311.510 4.301 20 30 DIEDRO CCCCCCC[C@@H](CC)OC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217889878 1052164919 /nfs/dbraw/zinc/16/49/19/1052164919.db2.gz FAQMBSUXSYQQOU-QZTJIDSGSA-N 1 0 311.510 4.301 20 30 DIEDRO C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCC[C@H]([NH3+])c1ccc(OC)cc1 ZINC001217896564 1052167010 /nfs/dbraw/zinc/16/70/10/1052167010.db2.gz JMHLKTZVQFYIBQ-KNTRFNDTSA-N 1 0 317.473 4.483 20 30 DIEDRO CCCCCCC[C@H](CCC)OC[C@@H]1C[C@@H]2C[NH2+]CC[C@@H]2O1 ZINC001217897945 1052167726 /nfs/dbraw/zinc/16/77/26/1052167726.db2.gz SXKCANIIWUYFRE-XWSJACJDSA-N 1 0 311.510 4.299 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OC1c2ccccc2-c2ccccc21 ZINC001217927612 1052172272 /nfs/dbraw/zinc/17/22/72/1052172272.db2.gz WDIBQJOIAKDDTM-WOJBJXKFSA-N 1 0 305.421 4.470 20 30 DIEDRO CCCCCCCC(=O)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC001217963975 1052178063 /nfs/dbraw/zinc/17/80/63/1052178063.db2.gz FPRAHSYOJHVJJK-UHFFFAOYSA-N 1 0 303.446 4.361 20 30 DIEDRO O=C(/C=C/c1ccccc1)c1ccccc1O[C@@H]1CCC[NH2+]CC1 ZINC001217994193 1052182834 /nfs/dbraw/zinc/18/28/34/1052182834.db2.gz FJFFOQPUPWCGOU-QFQMRYFISA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@H](Oc1ccccc1C=Nc1ccccc1)C1CC[NH2+]CC1 ZINC001218004084 1052183814 /nfs/dbraw/zinc/18/38/14/1052183814.db2.gz BRZYJVFXDNDBHC-INIZCTEOSA-N 1 0 308.425 4.204 20 30 DIEDRO N#Cc1ccc(-c2ccc(O[C@@H]3CCC34CC[NH2+]CC4)cc2)cc1 ZINC001218081571 1052193738 /nfs/dbraw/zinc/19/37/38/1052193738.db2.gz UUHDCNRIPRZLQU-HXUWFJFHSA-N 1 0 318.420 4.136 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)CC2 ZINC000495001588 1052194252 /nfs/dbraw/zinc/19/42/52/1052194252.db2.gz XYBOPDLDYBFYNS-RHSMWYFYSA-N 1 0 304.384 4.351 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218094232 1052196065 /nfs/dbraw/zinc/19/60/65/1052196065.db2.gz MBYVKXFSYJSFHL-LEWJYISDSA-N 1 0 320.436 4.348 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218104906 1052197918 /nfs/dbraw/zinc/19/79/18/1052197918.db2.gz UGNNMKKSRMCTMJ-UHFFFAOYSA-N 1 0 320.436 4.348 20 30 DIEDRO C[NH2+][C@H]1CC[C@H](Oc2ccccc2C=Nc2ccccc2)CC1 ZINC001218186938 1052204882 /nfs/dbraw/zinc/20/48/82/1052204882.db2.gz DJNOXHBJQHIYQA-UAPYVXQJSA-N 1 0 308.425 4.347 20 30 DIEDRO N#C[C@H]1C[NH2+]C[C@H]1Oc1ccc2ccc3cccc4ccc1c2c34 ZINC001218201913 1052207143 /nfs/dbraw/zinc/20/71/43/1052207143.db2.gz WDFAVCRWJZVHSW-QFBILLFUSA-N 1 0 312.372 4.074 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC001218207367 1052207428 /nfs/dbraw/zinc/20/74/28/1052207428.db2.gz QDDMMUKYDPCHPZ-AWEZNQCLSA-N 1 0 323.223 4.147 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(C(=O)CCCCCC)cc1 ZINC001218204583 1052207563 /nfs/dbraw/zinc/20/75/63/1052207563.db2.gz RBEGWIGPTGJLGS-LJQANCHMSA-N 1 0 301.430 4.137 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1Oc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC001218207368 1052207751 /nfs/dbraw/zinc/20/77/51/1052207751.db2.gz QDDMMUKYDPCHPZ-CQSZACIVSA-N 1 0 323.223 4.147 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001218210857 1052208522 /nfs/dbraw/zinc/20/85/22/1052208522.db2.gz LGBVHTNZYUUXJA-QGZVFWFLSA-N 1 0 319.326 4.068 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001218238573 1052210286 /nfs/dbraw/zinc/21/02/86/1052210286.db2.gz QDUVVIGCZGIXCW-AOOMUMSASA-N 1 0 324.399 4.097 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001218252859 1052213333 /nfs/dbraw/zinc/21/33/33/1052213333.db2.gz VOINIKNKFDKVCC-GDIGMMSISA-N 1 0 324.399 4.096 20 30 DIEDRO N#Cc1cccc(-c2ccc(O[C@@H]3CC[NH2+]C4(CCC4)C3)cc2)c1 ZINC001218310557 1052223294 /nfs/dbraw/zinc/22/32/94/1052223294.db2.gz XDTSMUOOIRTDOE-HXUWFJFHSA-N 1 0 318.420 4.279 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218349173 1052229547 /nfs/dbraw/zinc/22/95/47/1052229547.db2.gz YXBFDNXBWMUOES-HNNXBMFYSA-N 1 0 309.409 4.037 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccnc(SCC)c1 ZINC000495155708 1052236232 /nfs/dbraw/zinc/23/62/32/1052236232.db2.gz JXXIIDZGXGFOTC-UHFFFAOYSA-N 1 0 314.454 4.048 20 30 DIEDRO C[C@@H]1CC[C@@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)C[NH2+]1 ZINC001218407947 1052236317 /nfs/dbraw/zinc/23/63/17/1052236317.db2.gz RVJKZFWFXLKELJ-PMQSUAFTSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1Br ZINC000229676135 1052237407 /nfs/dbraw/zinc/23/74/07/1052237407.db2.gz DSRPDSWXZWBTPZ-LBPRGKRZSA-N 1 0 309.251 4.430 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2cc(C(C)=O)ccc2c1 ZINC001218452030 1052241104 /nfs/dbraw/zinc/24/11/04/1052241104.db2.gz PTWFSVZYQOOHRX-WOJBJXKFSA-N 1 0 309.409 4.118 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(Cl)cc(C)cc1Cl ZINC001218456531 1052241325 /nfs/dbraw/zinc/24/13/25/1052241325.db2.gz UNHNNUNBOMEIEO-ZIAGYGMSSA-N 1 0 300.229 4.377 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc(Cl)c(Cl)cc1Cl ZINC001218451402 1052241516 /nfs/dbraw/zinc/24/15/16/1052241516.db2.gz FLOLFSCDFHPVSX-GHMZBOCLSA-N 1 0 321.635 4.117 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(Cl)ccc(C)c1Cl ZINC001218457617 1052241851 /nfs/dbraw/zinc/24/18/51/1052241851.db2.gz WFVGZQGDOVEATC-CHWSQXEVSA-N 1 0 300.229 4.377 20 30 DIEDRO CC1(C)C[C@@H](Oc2ccccc2C=Nc2ccccc2)CC[NH2+]1 ZINC001218470803 1052243715 /nfs/dbraw/zinc/24/37/15/1052243715.db2.gz DQHPWMQUOLMMOP-SFHVURJKSA-N 1 0 308.425 4.347 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218710648 1052254704 /nfs/dbraw/zinc/25/47/04/1052254704.db2.gz GTWIRKYRPIOETC-KGLIPLIRSA-N 1 0 307.438 4.034 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1OC)[C@H](C)Cc1ccsc1 ZINC000495219918 1052261144 /nfs/dbraw/zinc/26/11/44/1052261144.db2.gz ISIVDNUVVNNXKM-CQSZACIVSA-N 1 0 314.454 4.081 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1c(CC)cccc1CC ZINC001218947118 1052264129 /nfs/dbraw/zinc/26/41/29/1052264129.db2.gz ASDZEOZELGNAAY-KRWDZBQOSA-N 1 0 302.462 4.214 20 30 DIEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(Br)cc2C#N)C1 ZINC000311814052 1052284377 /nfs/dbraw/zinc/28/43/77/1052284377.db2.gz HALRFQWGZVNJNR-BLLLJJGKSA-N 1 0 321.262 4.331 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220162722 1052322314 /nfs/dbraw/zinc/32/23/14/1052322314.db2.gz LDVMOMAZJNAVPE-YQVWRLOYSA-N 1 0 308.510 4.022 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000153503836 1052363126 /nfs/dbraw/zinc/36/31/26/1052363126.db2.gz NIVJBNSSYYOLOG-MGPUTAFESA-N 1 0 324.399 4.454 20 30 DIEDRO C=CCCCCCCCCC(=O)NCc1ccccc1C[NH3+] ZINC001220853217 1052365079 /nfs/dbraw/zinc/36/50/79/1052365079.db2.gz QFILFIUNGMZAPF-UHFFFAOYSA-N 1 0 302.462 4.068 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CCCC2CCCCC2)cc1 ZINC000915229714 1052372015 /nfs/dbraw/zinc/37/20/15/1052372015.db2.gz NMBVQXUFNSBWNB-UHFFFAOYSA-N 1 0 313.489 4.487 20 30 DIEDRO CCCCCCCCN1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235067818 1052378442 /nfs/dbraw/zinc/37/84/42/1052378442.db2.gz ASRWSDOLIHTDDU-OAHLLOKOSA-N 1 0 320.443 4.496 20 30 DIEDRO C=CC[C@@H](NC(=O)c1cccc([C@H]2CCC[NH2+]2)c1)c1ccccc1 ZINC001221361470 1052387194 /nfs/dbraw/zinc/38/71/94/1052387194.db2.gz UHLYUUIDEHYZDF-WOJBJXKFSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2OC)cc1 ZINC000237183358 1052436232 /nfs/dbraw/zinc/43/62/32/1052436232.db2.gz YQATVSKHMKDBKH-AWEZNQCLSA-N 1 0 315.388 4.250 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2OC)cc1 ZINC000237178488 1052436269 /nfs/dbraw/zinc/43/62/69/1052436269.db2.gz YQATVSKHMKDBKH-CQSZACIVSA-N 1 0 315.388 4.250 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000915731726 1052474236 /nfs/dbraw/zinc/47/42/36/1052474236.db2.gz CNTZPGISEHCMKL-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO CCCCCCCCN1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001222643996 1052522333 /nfs/dbraw/zinc/52/23/33/1052522333.db2.gz XHSPXOYSIXRNFN-OAHLLOKOSA-N 1 0 320.443 4.353 20 30 DIEDRO COc1ccc(C(C)=NNc2ccccc2)cc1C[NH+]1CCCC1 ZINC000916247348 1052598881 /nfs/dbraw/zinc/59/88/81/1052598881.db2.gz RBFLWFFGKSZOCB-UHFFFAOYSA-N 1 0 323.440 4.127 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2CC2CCCCC2)cc1 ZINC000763406219 1052624293 /nfs/dbraw/zinc/62/42/93/1052624293.db2.gz HCKDAPPMRDFHSG-PMACEKPBSA-N 1 0 312.457 4.026 20 30 DIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000763412499 1052626012 /nfs/dbraw/zinc/62/60/12/1052626012.db2.gz YHBMCKKYFJCLTF-LEWJYISDSA-N 1 0 320.436 4.127 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O[C@H](C#N)c1ccccc1 ZINC001223712566 1052629674 /nfs/dbraw/zinc/62/96/74/1052629674.db2.gz GBSKRKMZUGYFGA-DUXKGJEZSA-N 1 0 320.436 4.178 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)ccc1C#N ZINC000488158377 1052631202 /nfs/dbraw/zinc/63/12/02/1052631202.db2.gz FOPFYPDXHHERDB-ZDUSSCGKSA-N 1 0 316.351 4.319 20 30 DIEDRO COc1ccccc1-c1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000123728625 1052633916 /nfs/dbraw/zinc/63/39/16/1052633916.db2.gz PHWANLVWLZCVKF-UHFFFAOYSA-N 1 0 306.409 4.098 20 30 DIEDRO COc1ccc2c(Nc3c(C)cc(C#N)cc3C#N)cc[nH+]c2c1 ZINC001203526241 1052635902 /nfs/dbraw/zinc/63/59/02/1052635902.db2.gz RDAVAUNMOMBDDJ-UHFFFAOYSA-N 1 0 314.348 4.039 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000125935032 1052657398 /nfs/dbraw/zinc/65/73/98/1052657398.db2.gz RXQCLGAZPSAHCA-OAHLLOKOSA-N 1 0 302.462 4.036 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(N(CC)CC)cc2)cc1 ZINC000916836916 1052657805 /nfs/dbraw/zinc/65/78/05/1052657805.db2.gz BLMVYGSNIQXFSH-UHFFFAOYSA-N 1 0 324.468 4.387 20 30 DIEDRO C[N@@H+]1CCC[C@@H](O/C(=N/c2ccccc2)c2ccccc2)CC1 ZINC001224088062 1052666923 /nfs/dbraw/zinc/66/69/23/1052666923.db2.gz SXVSCVRWIDJISX-UOFXHNCJSA-N 1 0 308.425 4.266 20 30 DIEDRO CCC(CC)([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000929954317 1052667067 /nfs/dbraw/zinc/66/70/67/1052667067.db2.gz XOOCMFAKZKUQOX-UHFFFAOYSA-N 1 0 313.832 4.412 20 30 DIEDRO N#CCCCC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126394229 1052669270 /nfs/dbraw/zinc/66/92/70/1052669270.db2.gz UMYLPSFCSRKFNX-CYBMUJFWSA-N 1 0 313.228 4.140 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)CCCOc2ccc(C#N)cc2)cc1 ZINC000916977395 1052676246 /nfs/dbraw/zinc/67/62/46/1052676246.db2.gz GLPWNXLZZOAELU-MRXNPFEDSA-N 1 0 324.424 4.029 20 30 DIEDRO C=CCCO[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001224339076 1052690710 /nfs/dbraw/zinc/69/07/10/1052690710.db2.gz CUSVWALKHCPEKW-CYBMUJFWSA-N 1 0 300.229 4.160 20 30 DIEDRO N#CCCCCCCO[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224369619 1052691446 /nfs/dbraw/zinc/69/14/46/1052691446.db2.gz MQBRCELMFXPXEQ-IBGZPJMESA-N 1 0 300.446 4.142 20 30 DIEDRO N#CCCCCCCO[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224369620 1052691525 /nfs/dbraw/zinc/69/15/25/1052691525.db2.gz MQBRCELMFXPXEQ-LJQANCHMSA-N 1 0 300.446 4.142 20 30 DIEDRO CCCCCCCCCC[C@@H](C)OCCN1CC[NH+](C)CC1 ZINC001224550489 1052706802 /nfs/dbraw/zinc/70/68/02/1052706802.db2.gz VWTNRBODIKZZIB-LJQANCHMSA-N 1 0 312.542 4.170 20 30 DIEDRO CCOC[C@H](C)OCC[S+](c1ccccc1)c1ccccc1 ZINC001224636399 1052711831 /nfs/dbraw/zinc/71/18/31/1052711831.db2.gz NTHXMEMFKWXZIL-KRWDZBQOSA-N 1 0 317.474 4.165 20 30 DIEDRO N#CCCCCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224690362 1052716271 /nfs/dbraw/zinc/71/62/71/1052716271.db2.gz SBEMKUYJNQQUOC-KRWDZBQOSA-N 1 0 306.837 4.015 20 30 DIEDRO C(#C[C@H](OCCC[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC001224751279 1052722840 /nfs/dbraw/zinc/72/28/40/1052722840.db2.gz WWYXLBVAHZHGPP-QFIPXVFZSA-N 1 0 319.448 4.282 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2)cc1 ZINC000154461627 1052744177 /nfs/dbraw/zinc/74/41/77/1052744177.db2.gz MAHGBEKCZKIVCC-CQSZACIVSA-N 1 0 317.816 4.374 20 30 DIEDRO C=C[C@@H](CC)OC[C@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001225152598 1052750657 /nfs/dbraw/zinc/75/06/57/1052750657.db2.gz WXCLQBUCYNFNHF-ICSRJNTNSA-N 1 0 317.473 4.037 20 30 DIEDRO CC(C)c1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001225239805 1052760943 /nfs/dbraw/zinc/76/09/43/1052760943.db2.gz JLJPAUZNDVWHOV-OAQYLSRUSA-N 1 0 320.436 4.335 20 30 DIEDRO Cc1ccccc1[C@H](C)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000918023823 1052773951 /nfs/dbraw/zinc/77/39/51/1052773951.db2.gz JGAVNTFMHVOTAZ-KRWDZBQOSA-N 1 0 308.425 4.329 20 30 DIEDRO Cc1c(C)c(O[C@H](CC[NH+](C)C)c2ccccc2)ccc1C#N ZINC001225512901 1052798348 /nfs/dbraw/zinc/79/83/48/1052798348.db2.gz GNUXRDUVIFXUKJ-HXUWFJFHSA-N 1 0 308.425 4.247 20 30 DIEDRO CC[N@H+](Cc1cc2cccnc2o1)[C@H](C)c1ccc(C#N)cc1 ZINC000556140087 1052808327 /nfs/dbraw/zinc/80/83/27/1052808327.db2.gz ZOOBSWSKMKDIED-CQSZACIVSA-N 1 0 305.381 4.283 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1ccc(C#N)cc1Cl)c1ccccc1 ZINC001225726610 1052821635 /nfs/dbraw/zinc/82/16/35/1052821635.db2.gz FFQSWWKPKONMQF-QGZVFWFLSA-N 1 0 314.816 4.283 20 30 DIEDRO COc1cc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)ccc1C#N ZINC000556410045 1052849024 /nfs/dbraw/zinc/84/90/24/1052849024.db2.gz KOZQJVQUUJWABR-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000919654827 1052880177 /nfs/dbraw/zinc/88/01/77/1052880177.db2.gz OCECDKXIAKHOCZ-ZWKOTPCHSA-N 1 0 323.525 4.005 20 30 DIEDRO CCCCCCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000919762322 1052887836 /nfs/dbraw/zinc/88/78/36/1052887836.db2.gz IKJDBOPPCUOYTE-HKUYNNGSSA-N 1 0 316.489 4.299 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)cc1 ZINC000556872264 1052892106 /nfs/dbraw/zinc/89/21/06/1052892106.db2.gz WXWSGHLXDHCYBX-WSTZPKSXSA-N 1 0 323.484 4.085 20 30 DIEDRO CC1(C)CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000556890428 1052894921 /nfs/dbraw/zinc/89/49/21/1052894921.db2.gz PVFRGPVESKYXAA-SFHVURJKSA-N 1 0 311.473 4.085 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000556909599 1052897010 /nfs/dbraw/zinc/89/70/10/1052897010.db2.gz HTETZYGYLFFLFD-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@H+](CC2CC2)C(C)C)c1O ZINC000919940919 1052905752 /nfs/dbraw/zinc/90/57/52/1052905752.db2.gz PSCDBAHHBDONNI-UHFFFAOYSA-N 1 0 303.446 4.140 20 30 DIEDRO C[NH+](C)C1CCC(Oc2c(Cl)cc(C#N)cc2Cl)CC1 ZINC001226586146 1052912607 /nfs/dbraw/zinc/91/26/07/1052912607.db2.gz UNJJGOWDDIPAHV-UHFFFAOYSA-N 1 0 313.228 4.117 20 30 DIEDRO Cc1ccc(C#N)c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001226756726 1052928191 /nfs/dbraw/zinc/92/81/91/1052928191.db2.gz SDMZKNBFVWKUBR-YLJYHZDGSA-N 1 0 320.436 4.156 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000195322548 1052936194 /nfs/dbraw/zinc/93/61/94/1052936194.db2.gz XHERBNHHCWBJCK-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO C[C@@H]([C@H](Oc1cc(C#N)ccc1F)c1ccccc1)[NH+]1CCCC1 ZINC001227057141 1052956950 /nfs/dbraw/zinc/95/69/50/1052956950.db2.gz VMOQEFXPCFKMAV-YWZLYKJASA-N 1 0 324.399 4.302 20 30 DIEDRO N#CC1(c2ccc(Nc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC001212253339 1052966236 /nfs/dbraw/zinc/96/62/36/1052966236.db2.gz IAZDKGXLGNJYGN-UHFFFAOYSA-N 1 0 300.365 4.171 20 30 DIEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609433330 1052977347 /nfs/dbraw/zinc/97/73/47/1052977347.db2.gz UVNMTFZGLSQHFJ-IERDGZPVSA-N 1 0 320.436 4.415 20 30 DIEDRO CC(C)(C)c1ccccc1OCC[NH2+]Cc1ccc(C#N)cc1 ZINC000609419950 1052978192 /nfs/dbraw/zinc/97/81/92/1052978192.db2.gz QVIZOSFCVVKSAN-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO O=C1C=C[C@@H](Oc2ccc3ccccc3c2C[NH+]2CCCCC2)C1 ZINC001227277247 1052978643 /nfs/dbraw/zinc/97/86/43/1052978643.db2.gz QTXGEMYHQXWHRO-GOSISDBHSA-N 1 0 321.420 4.102 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000609541504 1052981742 /nfs/dbraw/zinc/98/17/42/1052981742.db2.gz VKEHELAHKXSVPD-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)C1 ZINC001227435074 1052990861 /nfs/dbraw/zinc/99/08/61/1052990861.db2.gz QZTCFWYVWZMGJL-KAUXGEHWSA-N 1 0 321.420 4.056 20 30 DIEDRO CC[N@H+](CC/C=C\c1ccc(Br)cc1)C[C@@H](C)C#N ZINC000609766389 1052992032 /nfs/dbraw/zinc/99/20/32/1052992032.db2.gz FZYWFXJXSMAPTL-SDQPKGBYSA-N 1 0 321.262 4.334 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000609766314 1052992312 /nfs/dbraw/zinc/99/23/12/1052992312.db2.gz MBTUJGSSVREVSS-UHFFFAOYSA-N 1 0 320.436 4.164 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000609916567 1052999274 /nfs/dbraw/zinc/99/92/74/1052999274.db2.gz XWSCKIZRIKOGBQ-DYVFJYSZSA-N 1 0 312.363 4.214 20 30 DIEDRO Cc1cccc(C)c1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000610001419 1053002199 /nfs/dbraw/zinc/00/21/99/1053002199.db2.gz DUKVQNBQBMLQDS-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000610001991 1053002242 /nfs/dbraw/zinc/00/22/42/1053002242.db2.gz RSINCJASCSFYJO-IEBWSBKVSA-N 1 0 320.436 4.124 20 30 DIEDRO CN(Cc1cc2ccccc2o1)Cc1cn2ccccc2c1C#N ZINC000195676222 1053007564 /nfs/dbraw/zinc/00/75/64/1053007564.db2.gz GZEDGDDYDIETKW-UHFFFAOYSA-N 1 0 315.376 4.189 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)c2ccccc2)cc1 ZINC000237565483 1053012641 /nfs/dbraw/zinc/01/26/41/1053012641.db2.gz PFFPHFDIBAZOIL-MRXNPFEDSA-N 1 0 308.425 4.045 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)C(c1ccccc1)c1ccccc1 ZINC000237587599 1053013809 /nfs/dbraw/zinc/01/38/09/1053013809.db2.gz WEWNGGPZTQRHEW-INIZCTEOSA-N 1 0 316.404 4.461 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000237603297 1053014818 /nfs/dbraw/zinc/01/48/18/1053014818.db2.gz DBAJJYUVBDMUPT-FOIQADDNSA-N 1 0 306.409 4.218 20 30 DIEDRO Cc1cc(C#N)cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001227839247 1053020123 /nfs/dbraw/zinc/02/01/23/1053020123.db2.gz XHBMZWORACRCME-LAUBAEHRSA-N 1 0 320.436 4.156 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCS2 ZINC000615649501 1053024820 /nfs/dbraw/zinc/02/48/20/1053024820.db2.gz SXOOMAJPOFBGLL-ACJLOTCBSA-N 1 0 324.449 4.455 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(C2CCCCC2)cc1 ZINC001227920991 1053029181 /nfs/dbraw/zinc/02/91/81/1053029181.db2.gz PTZYLQWJBDILPW-LJQANCHMSA-N 1 0 301.454 4.102 20 30 DIEDRO C=CCc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001227921839 1053029316 /nfs/dbraw/zinc/02/93/16/1053029316.db2.gz CBOYCKIJMGCRAD-LJQANCHMSA-N 1 0 323.436 4.077 20 30 DIEDRO N#Cc1csc(C[NH2+]CCc2c(Cl)cccc2Cl)c1 ZINC000237840661 1053032019 /nfs/dbraw/zinc/03/20/19/1053032019.db2.gz GIECYAHMVYRCFD-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCC3CC3)c2)c1 ZINC000237848564 1053034289 /nfs/dbraw/zinc/03/42/89/1053034289.db2.gz LBGAPINYDISZBC-UHFFFAOYSA-N 1 0 306.409 4.027 20 30 DIEDRO Cc1c(C#N)cccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001228027943 1053037917 /nfs/dbraw/zinc/03/79/17/1053037917.db2.gz TVCXCNLWPZKGDN-OXQOHEQNSA-N 1 0 320.436 4.156 20 30 DIEDRO C[C@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1)OCc1ccccc1 ZINC000616114098 1053046273 /nfs/dbraw/zinc/04/62/73/1053046273.db2.gz OZTLRPYCWLFENA-SJORKVTESA-N 1 0 308.425 4.204 20 30 DIEDRO COCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000616873140 1053077319 /nfs/dbraw/zinc/07/73/19/1053077319.db2.gz OEYQGTCQLISPHX-VQIMIIECSA-N 1 0 314.473 4.125 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180871163 1053100417 /nfs/dbraw/zinc/10/04/17/1053100417.db2.gz GMIAGXYWAMREED-MRXNPFEDSA-N 1 0 304.482 4.153 20 30 DIEDRO Cc1nc2ccc(C[NH2+][C@H](C)c3cccc(C#N)c3)cc2s1 ZINC000617263860 1053119547 /nfs/dbraw/zinc/11/95/47/1053119547.db2.gz HCTNRQBWJJAOFH-GFCCVEGCSA-N 1 0 307.422 4.327 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001560484607 1053146375 /nfs/dbraw/zinc/14/63/75/1053146375.db2.gz ABGWMBLVAZKYQG-UHFFFAOYSA-N 1 0 323.234 4.282 20 30 DIEDRO CC(C)[N@H+](CCc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC001318521127 1053171798 /nfs/dbraw/zinc/17/17/98/1053171798.db2.gz HTXQIDORXPASIS-UHFFFAOYSA-N 1 0 308.425 4.042 20 30 DIEDRO C#C[C@@H](CCC)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228830103 1053188099 /nfs/dbraw/zinc/18/80/99/1053188099.db2.gz NYQIMGCYRNSZSH-INIZCTEOSA-N 1 0 310.441 4.158 20 30 DIEDRO CC[C@@H](c1cccc(OC2CC(C#N)C2)c1)[C@@H](C)C[NH+](C)C ZINC001228897672 1053203457 /nfs/dbraw/zinc/20/34/57/1053203457.db2.gz RWGMPKUTTNHLSO-JTLJZCETSA-N 1 0 300.446 4.059 20 30 DIEDRO CC[C@@H](c1cccc(O[C@@H]2CC[C@@H](C#N)C2)c1)[C@@H](C)C[NH+](C)C ZINC001228899949 1053204101 /nfs/dbraw/zinc/20/41/01/1053204101.db2.gz YSENCOBKAVZWBA-LNKGRISISA-N 1 0 314.473 4.449 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000617891612 1053204787 /nfs/dbraw/zinc/20/47/87/1053204787.db2.gz ZQKZIYMMQDEMDM-UHFFFAOYSA-N 1 0 302.780 4.291 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555948 1053205935 /nfs/dbraw/zinc/20/59/35/1053205935.db2.gz YGWIUDLZCQNYKC-OAHLLOKOSA-N 1 0 319.836 4.267 20 30 DIEDRO CCCCCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181437341 1053209387 /nfs/dbraw/zinc/20/93/87/1053209387.db2.gz IJZKIPNQYHMUSU-SJORKVTESA-N 1 0 308.510 4.116 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728310 1053212401 /nfs/dbraw/zinc/21/24/01/1053212401.db2.gz YXYWGXKRMPDQLX-OAHLLOKOSA-N 1 0 319.836 4.267 20 30 DIEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3ccc(C#N)cc3c1)C2 ZINC001228968841 1053214749 /nfs/dbraw/zinc/21/47/49/1053214749.db2.gz RHTCRJZBXJWERQ-KXTWHKPSSA-N 1 0 320.436 4.494 20 30 DIEDRO CC(C)[NH+]1CCC(Oc2ccc(C#N)cc2C(C)(C)C)CC1 ZINC001228996274 1053219912 /nfs/dbraw/zinc/21/99/12/1053219912.db2.gz OENHMRNGGYXTHN-UHFFFAOYSA-N 1 0 300.446 4.107 20 30 DIEDRO C[C@@H]([NH2+]CCCCOCCc1ccccc1)c1cccc(C#N)c1 ZINC000181534829 1053236634 /nfs/dbraw/zinc/23/66/34/1053236634.db2.gz ZXAQXIGWEPXSBO-GOSISDBHSA-N 1 0 322.452 4.248 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)C1CC1 ZINC001319376259 1053238655 /nfs/dbraw/zinc/23/86/55/1053238655.db2.gz URCWMWKCSVEDJU-IBGZPJMESA-N 1 0 302.437 4.129 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(C#N)c1 ZINC000181594423 1053253468 /nfs/dbraw/zinc/25/34/68/1053253468.db2.gz FWARPSWPFJABDK-HNNXBMFYSA-N 1 0 321.449 4.014 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(C#N)c1 ZINC000181594442 1053254185 /nfs/dbraw/zinc/25/41/85/1053254185.db2.gz FWARPSWPFJABDK-OAHLLOKOSA-N 1 0 321.449 4.014 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001319604529 1053254829 /nfs/dbraw/zinc/25/48/29/1053254829.db2.gz UHSPQPSRZGABTN-OAHLLOKOSA-N 1 0 310.445 4.072 20 30 DIEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001319784183 1053274104 /nfs/dbraw/zinc/27/41/04/1053274104.db2.gz MJRQJQHYPBESQA-HKUYNNGSSA-N 1 0 300.446 4.283 20 30 DIEDRO Cc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181658070 1053274574 /nfs/dbraw/zinc/27/45/74/1053274574.db2.gz CFVQXFXRQYTIKA-KRWDZBQOSA-N 1 0 320.436 4.280 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001319800462 1053275285 /nfs/dbraw/zinc/27/52/85/1053275285.db2.gz HKVRBFYKAMBBRL-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO CC[C@@H]([NH2+]CCCCC#N)c1cc(F)cc(Br)c1 ZINC000181683363 1053275772 /nfs/dbraw/zinc/27/57/72/1053275772.db2.gz HJTZSIJRSUGHLR-CQSZACIVSA-N 1 0 313.214 4.323 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000181763451 1053288264 /nfs/dbraw/zinc/28/82/64/1053288264.db2.gz CRNMUXHBESVZAG-HNAYVOBHSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccc(C#N)cc1 ZINC000181837775 1053297726 /nfs/dbraw/zinc/29/77/26/1053297726.db2.gz KZLHWPQLOOWOPT-HOTGVXAUSA-N 1 0 316.408 4.156 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccc(F)cc1 ZINC001320032544 1053298818 /nfs/dbraw/zinc/29/88/18/1053298818.db2.gz RURUOIFHCXIVHS-UXHICEINSA-N 1 0 308.400 4.140 20 30 DIEDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC001320126280 1053308654 /nfs/dbraw/zinc/30/86/54/1053308654.db2.gz XWCQUXGBFRPRIE-BLLLJJGKSA-N 1 0 310.372 4.050 20 30 DIEDRO CCOCCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCCC1 ZINC000181898235 1053309066 /nfs/dbraw/zinc/30/90/66/1053309066.db2.gz AXPCSONEBHQUPJ-INIZCTEOSA-N 1 0 300.446 4.196 20 30 DIEDRO Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000181944750 1053317110 /nfs/dbraw/zinc/31/71/10/1053317110.db2.gz NJOJFNWWUPDIIN-UHFFFAOYSA-N 1 0 319.452 4.252 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(COCc3ccco3)c2)C1 ZINC000618562547 1053323176 /nfs/dbraw/zinc/32/31/76/1053323176.db2.gz FLCFOIDQPVUQOG-APWZRJJASA-N 1 0 324.424 4.168 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC001320305729 1053323395 /nfs/dbraw/zinc/32/33/95/1053323395.db2.gz DOYXSDDCTNSSKM-GXTWGEPZSA-N 1 0 321.367 4.293 20 30 DIEDRO N#C[C@@H](Oc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1F ZINC001229449124 1053324434 /nfs/dbraw/zinc/32/44/34/1053324434.db2.gz XWWCWXMJWXHBPK-HXUWFJFHSA-N 1 0 324.399 4.455 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000618577902 1053325897 /nfs/dbraw/zinc/32/58/97/1053325897.db2.gz RRGVEIHEDMLVJT-GJZGRUSLSA-N 1 0 318.411 4.449 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(C#N)cc1 ZINC000618571980 1053326779 /nfs/dbraw/zinc/32/67/79/1053326779.db2.gz AGLPIBCRAYMONQ-DLBZAZTESA-N 1 0 312.800 4.386 20 30 DIEDRO C=CCCCCCCCCNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC001229460706 1053327650 /nfs/dbraw/zinc/32/76/50/1053327650.db2.gz RFXFTAJTZMETJK-UHFFFAOYSA-N 1 0 323.525 4.029 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(OC)c1 ZINC001320480024 1053337134 /nfs/dbraw/zinc/33/71/34/1053337134.db2.gz JLQOLLCFTDBWGQ-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001320548635 1053343762 /nfs/dbraw/zinc/34/37/62/1053343762.db2.gz GSXNICVSROSFCU-SYYJFZTOSA-N 1 0 306.384 4.027 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001320591034 1053348686 /nfs/dbraw/zinc/34/86/86/1053348686.db2.gz BAOVCUVHKSBONF-NHYWBVRUSA-N 1 0 320.433 4.109 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)c1 ZINC001320688926 1053355179 /nfs/dbraw/zinc/35/51/79/1053355179.db2.gz UPCQBYHATFSSSY-UHFFFAOYSA-N 1 0 320.436 4.187 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC001320689549 1053356414 /nfs/dbraw/zinc/35/64/14/1053356414.db2.gz DMQMBHRZXZCPIW-MOMVYJMYSA-N 1 0 318.420 4.114 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742692 1053357349 /nfs/dbraw/zinc/35/73/49/1053357349.db2.gz PNBZFHWFNWUJSC-FQEVSTJZSA-N 1 0 306.409 4.124 20 30 DIEDRO COc1ccc2oc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)cc2c1 ZINC000618741625 1053357601 /nfs/dbraw/zinc/35/76/01/1053357601.db2.gz HUBPYGAYDBDCPU-IBGZPJMESA-N 1 0 318.376 4.090 20 30 DIEDRO CC(C)(C)c1ncc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618742143 1053360119 /nfs/dbraw/zinc/36/01/19/1053360119.db2.gz KBHOSBXJJAAJKI-INIZCTEOSA-N 1 0 311.454 4.089 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(Cl)ccc1F ZINC000618742751 1053361282 /nfs/dbraw/zinc/36/12/82/1053361282.db2.gz RBBQCHLXDYWKPH-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO C=CCOc1ccccc1O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001229612229 1053364936 /nfs/dbraw/zinc/36/49/36/1053364936.db2.gz YIFOMVMJODGDBQ-SFHVURJKSA-N 1 0 311.425 4.323 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC001320835723 1053365378 /nfs/dbraw/zinc/36/53/78/1053365378.db2.gz BLNZXCKSGASHGF-CYBMUJFWSA-N 1 0 319.351 4.002 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(F)c(F)c(F)c1 ZINC000618802323 1053366045 /nfs/dbraw/zinc/36/60/45/1053366045.db2.gz ISDAYAGDWQIBGX-DYZYQPBXSA-N 1 0 316.326 4.314 20 30 DIEDRO Cc1ccc(C2CC([NH2+][C@H]3CCc4cc(C#N)ccc43)C2)cc1 ZINC000618801766 1053366399 /nfs/dbraw/zinc/36/63/99/1053366399.db2.gz BXSPWOHZAAHFHO-GRERDSQWSA-N 1 0 302.421 4.390 20 30 DIEDRO CSCc1cccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)c1 ZINC001320868445 1053369498 /nfs/dbraw/zinc/36/94/98/1053369498.db2.gz DSUPUHLIPQADEI-UHFFFAOYSA-N 1 0 322.477 4.263 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804776 1053370154 /nfs/dbraw/zinc/37/01/54/1053370154.db2.gz MJYGTWGCXZGIFP-JLTOFOAXSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804747 1053370214 /nfs/dbraw/zinc/37/02/14/1053370214.db2.gz LSVPDXFCWISVEZ-XOBRGWDASA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2ccccc2n1 ZINC000618806104 1053370397 /nfs/dbraw/zinc/37/03/97/1053370397.db2.gz PMCNBUSBROHLKH-SZNDQCEHSA-N 1 0 313.404 4.445 20 30 DIEDRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804660 1053370777 /nfs/dbraw/zinc/37/07/77/1053370777.db2.gz LOIZTJBRIAJNJC-VBKZILBWSA-N 1 0 308.400 4.296 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618805238 1053370884 /nfs/dbraw/zinc/37/08/84/1053370884.db2.gz FNVPDPFBUKTIGG-AUUYWEPGSA-N 1 0 322.477 4.488 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000618806279 1053370918 /nfs/dbraw/zinc/37/09/18/1053370918.db2.gz QIBZXFIXEPQYAH-VQTJNVASSA-N 1 0 306.384 4.352 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000618806280 1053371516 /nfs/dbraw/zinc/37/15/16/1053371516.db2.gz QIBZXFIXEPQYAH-WOJBJXKFSA-N 1 0 306.384 4.352 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000618805572 1053371696 /nfs/dbraw/zinc/37/16/96/1053371696.db2.gz OOKIWFZDWMQDQO-ZWKOTPCHSA-N 1 0 310.347 4.101 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000618808083 1053373019 /nfs/dbraw/zinc/37/30/19/1053373019.db2.gz YVNZYVJWVLEXFE-YJYMSZOUSA-N 1 0 323.415 4.101 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000618807607 1053373926 /nfs/dbraw/zinc/37/39/26/1053373926.db2.gz UYQFWTXZWHUMTD-CUWPLCDZSA-N 1 0 302.421 4.471 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001320910684 1053375542 /nfs/dbraw/zinc/37/55/42/1053375542.db2.gz OTCGUZRTOIOQIN-DJJJIMSYSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccccc2F)CC1)c1ccc(OCC#N)cc1 ZINC000182242219 1053383106 /nfs/dbraw/zinc/38/31/06/1053383106.db2.gz CLPWZRMMKGSPMU-AWEZNQCLSA-N 1 0 310.372 4.068 20 30 DIEDRO CSc1ccccc1C(=O)/C=C\c1cnc2c(C)cccn12 ZINC001321218463 1053401938 /nfs/dbraw/zinc/40/19/38/1053401938.db2.gz QLTZUZGRADMQQU-KTKRTIGZSA-N 1 0 308.406 4.261 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001321295508 1053407436 /nfs/dbraw/zinc/40/74/36/1053407436.db2.gz ADFKWFKYUJUUDJ-GMXVVIOVSA-N 1 0 312.335 4.160 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2cccc(OCC#N)c2)c1 ZINC001352826875 1053414396 /nfs/dbraw/zinc/41/43/96/1053414396.db2.gz WTZZTNXKKKSYRK-UHFFFAOYSA-N 1 0 324.424 4.056 20 30 DIEDRO C[C@H]1SCC[N@H+](CC(C)(C)CCC#N)[C@H]1c1ccccc1 ZINC000093535715 1053422271 /nfs/dbraw/zinc/42/22/71/1053422271.db2.gz JNKRVHUPWCOCAA-NVXWUHKLSA-N 1 0 302.487 4.495 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC001321622837 1053423939 /nfs/dbraw/zinc/42/39/39/1053423939.db2.gz NNDSSNNKGAQQJE-SYYJFZTOSA-N 1 0 306.384 4.027 20 30 DIEDRO Cc1ccc(C)c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182479951 1053453076 /nfs/dbraw/zinc/45/30/76/1053453076.db2.gz WSOHPLSYHORTEB-UHFFFAOYSA-N 1 0 319.452 4.252 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093945016 1053465272 /nfs/dbraw/zinc/46/52/72/1053465272.db2.gz HKTALKIBHGNWOB-INIZCTEOSA-N 1 0 310.441 4.168 20 30 DIEDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000619428453 1053492267 /nfs/dbraw/zinc/49/22/67/1053492267.db2.gz OXSMHDLBDRYXGL-VQTJNVASSA-N 1 0 320.436 4.272 20 30 DIEDRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508471 1053496502 /nfs/dbraw/zinc/49/65/02/1053496502.db2.gz YXYICQNRVLQGKJ-QRWLVFNGSA-N 1 0 305.425 4.380 20 30 DIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000619535349 1053507044 /nfs/dbraw/zinc/50/70/44/1053507044.db2.gz YNOHRQQRJJWXAS-STQMWFEESA-N 1 0 310.363 4.481 20 30 DIEDRO CCc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182760697 1053509420 /nfs/dbraw/zinc/50/94/20/1053509420.db2.gz HRJPBGRQSVTOBF-UHFFFAOYSA-N 1 0 319.452 4.197 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1CC#N ZINC001230276667 1053510724 /nfs/dbraw/zinc/51/07/24/1053510724.db2.gz ZRANCOKVMURGQL-PXNSSMCTSA-N 1 0 320.436 4.042 20 30 DIEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2ccnc(C#N)c2)C1 ZINC000619654609 1053525749 /nfs/dbraw/zinc/52/57/49/1053525749.db2.gz ZXCQIIKIXWRNGH-LJQANCHMSA-N 1 0 305.425 4.147 20 30 DIEDRO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000619673654 1053527483 /nfs/dbraw/zinc/52/74/83/1053527483.db2.gz VGLVHJWETXIKOA-VQTJNVASSA-N 1 0 318.420 4.221 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1Cl ZINC000619669475 1053532776 /nfs/dbraw/zinc/53/27/76/1053532776.db2.gz VZABLWDUESUWMO-IYXRBSQSSA-N 1 0 306.837 4.329 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000619724247 1053541263 /nfs/dbraw/zinc/54/12/63/1053541263.db2.gz IOPQSMFUEAXFGK-BSIFCXSSSA-N 1 0 317.436 4.257 20 30 DIEDRO COc1cccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1F ZINC000619725145 1053541772 /nfs/dbraw/zinc/54/17/72/1053541772.db2.gz CBRRQYGWPRKDAC-MSOLQXFVSA-N 1 0 324.399 4.106 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000619754905 1053548564 /nfs/dbraw/zinc/54/85/64/1053548564.db2.gz OHWHJJXFKZKSGC-LBPRGKRZSA-N 1 0 312.800 4.093 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619755092 1053548610 /nfs/dbraw/zinc/54/86/10/1053548610.db2.gz SVCQXKSENWEVLK-CQSZACIVSA-N 1 0 317.845 4.144 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)COc2cccc(C)c2)c1 ZINC000619766598 1053551904 /nfs/dbraw/zinc/55/19/04/1053551904.db2.gz FCDKVRCHCXZRCE-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc3cnccc3c2)cc1Cl ZINC000619748615 1053554359 /nfs/dbraw/zinc/55/43/59/1053554359.db2.gz JWRXVNSNVOICMX-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccnc3ccccc23)cc1Cl ZINC000619748668 1053554844 /nfs/dbraw/zinc/55/48/44/1053554844.db2.gz LCHJVYJCXYRCDQ-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO CC(C)CCn1cccc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748977 1053556687 /nfs/dbraw/zinc/55/66/87/1053556687.db2.gz ZYXPFIPEJUDGPA-UHFFFAOYSA-N 1 0 315.848 4.349 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000152979806 1053564491 /nfs/dbraw/zinc/56/44/91/1053564491.db2.gz YMFUQDWGZFGYNG-CQSZACIVSA-N 1 0 322.493 4.239 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2oc3ccccc3c2C)CC1 ZINC000152972289 1053564769 /nfs/dbraw/zinc/56/47/69/1053564769.db2.gz IECUIGBROJKEMW-INIZCTEOSA-N 1 0 312.457 4.432 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc(F)cc2F)CC1 ZINC000153001921 1053567495 /nfs/dbraw/zinc/56/74/95/1053567495.db2.gz CMYFPZKSYCVLAQ-GOSISDBHSA-N 1 0 308.416 4.046 20 30 DIEDRO C[NH+](C)C1CCC(Oc2c(C#N)cccc2C(C)(C)C)CC1 ZINC001230632522 1053571915 /nfs/dbraw/zinc/57/19/15/1053571915.db2.gz JBASVRLGVUWJAM-UHFFFAOYSA-N 1 0 300.446 4.107 20 30 DIEDRO C[C@@H]([C@H](Oc1cc(F)ccc1C#N)c1ccccc1)[NH+]1CCCC1 ZINC001230637035 1053574215 /nfs/dbraw/zinc/57/42/15/1053574215.db2.gz SRLLBZZCEYDLSN-YWZLYKJASA-N 1 0 324.399 4.302 20 30 DIEDRO Cc1cc(C[NH2+]CCOc2ccccc2C(C)(C)C)ccc1C#N ZINC001200346022 1053581401 /nfs/dbraw/zinc/58/14/01/1053581401.db2.gz KYOCUGSREKZTGR-UHFFFAOYSA-N 1 0 322.452 4.333 20 30 DIEDRO C[C@@H]([NH2+]CCc1coc(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC001323473607 1053583260 /nfs/dbraw/zinc/58/32/60/1053583260.db2.gz WHTYRSKCAIEDFY-OAHLLOKOSA-N 1 0 317.392 4.107 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001324021202 1053617705 /nfs/dbraw/zinc/61/77/05/1053617705.db2.gz HEDJYHKYPBVTAC-CJNGLKHVSA-N 1 0 316.470 4.279 20 30 DIEDRO C=CCc1cccc(O[C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c1 ZINC001231010034 1053649312 /nfs/dbraw/zinc/64/93/12/1053649312.db2.gz NEGAFUOZMAWNCQ-XLIONFOSSA-N 1 0 322.452 4.415 20 30 DIEDRO Cc1cc(CNc2cccc(C[NH+]3CCCC3)c2)ccc1C#N ZINC001324669002 1053671063 /nfs/dbraw/zinc/67/10/63/1053671063.db2.gz IRBSPOLWCBJSCC-UHFFFAOYSA-N 1 0 305.425 4.075 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(C)cc2C)cc1 ZINC001200459528 1053678484 /nfs/dbraw/zinc/67/84/84/1053678484.db2.gz FIEOIFVNENXQCI-IBGZPJMESA-N 1 0 321.464 4.426 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001324841542 1053682369 /nfs/dbraw/zinc/68/23/69/1053682369.db2.gz MPVSQDDBPUMGSX-WOJBJXKFSA-N 1 0 306.409 4.015 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)c(F)c1 ZINC001324890225 1053685088 /nfs/dbraw/zinc/68/50/88/1053685088.db2.gz DMJVCWBCYJNCGI-JTQLQIEISA-N 1 0 306.743 4.341 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(F)c(Br)c1)c1ccccc1 ZINC000620757906 1053725909 /nfs/dbraw/zinc/72/59/09/1053725909.db2.gz ZKCXMVOSGGOYBT-UHFFFAOYSA-N 1 0 320.205 4.391 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000620756733 1053728248 /nfs/dbraw/zinc/72/82/48/1053728248.db2.gz QKMDYGXSWFNMKR-UHFFFAOYSA-N 1 0 307.315 4.388 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC)c(OC(F)F)c1)c1ccccc1 ZINC000620757885 1053728515 /nfs/dbraw/zinc/72/85/15/1053728515.db2.gz XNMPWAWZEVSXOF-UHFFFAOYSA-N 1 0 319.351 4.100 20 30 DIEDRO C=C(C[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1)c1ccccc1 ZINC000620756495 1053728850 /nfs/dbraw/zinc/72/88/50/1053728850.db2.gz FMGFFBLYJODFGK-UHFFFAOYSA-N 1 0 303.409 4.188 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(=C)c2ccccc2)cc1OC ZINC000620757845 1053729615 /nfs/dbraw/zinc/72/96/15/1053729615.db2.gz QTXPDCFFGOJJGP-UHFFFAOYSA-N 1 0 309.409 4.063 20 30 DIEDRO CCCc1ccc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC001325861593 1053740193 /nfs/dbraw/zinc/74/01/93/1053740193.db2.gz VTEROVQNELTXBO-UHFFFAOYSA-N 1 0 322.452 4.159 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1Cl ZINC000183730832 1053744375 /nfs/dbraw/zinc/74/43/75/1053744375.db2.gz GPHCQQBMUHVYTJ-AWEZNQCLSA-N 1 0 316.832 4.493 20 30 DIEDRO C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)c1cccc(F)c1 ZINC001326056056 1053750062 /nfs/dbraw/zinc/75/00/62/1053750062.db2.gz LAYLKBIRMGUNHN-VMEOHVCESA-N 1 0 308.400 4.143 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(Br)s1)c1ccncc1 ZINC001200563439 1053764581 /nfs/dbraw/zinc/76/45/81/1053764581.db2.gz WWKRWMHPXFMARD-ZDUSSCGKSA-N 1 0 323.259 4.313 20 30 DIEDRO N#CCC[N@H+](Cc1c[nH]c2cccnc12)C1CCCCCCC1 ZINC001231490135 1053768588 /nfs/dbraw/zinc/76/85/88/1053768588.db2.gz OYBWUWOUOJOCPO-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO CO[C@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)[C@@H](C)C1 ZINC001231578675 1053788794 /nfs/dbraw/zinc/78/87/94/1053788794.db2.gz QOPAVFFBVAXXFH-AVRDEDQJSA-N 1 0 319.448 4.086 20 30 DIEDRO CO[C@@H]1CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231578456 1053788986 /nfs/dbraw/zinc/78/89/86/1053788986.db2.gz OMRGNAODIVVGAU-JOCHJYFZSA-N 1 0 319.448 4.087 20 30 DIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2cccs2)CC1 ZINC001231618313 1053802524 /nfs/dbraw/zinc/80/25/24/1053802524.db2.gz GUARZKISLBPCQV-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc2ccccc2c1 ZINC001231620710 1053804233 /nfs/dbraw/zinc/80/42/33/1053804233.db2.gz KXIZSMXMBTZMKK-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c1 ZINC001231623673 1053804536 /nfs/dbraw/zinc/80/45/36/1053804536.db2.gz POCMDYIORBDONL-NRFANRHFSA-N 1 0 323.436 4.043 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001231620433 1053804960 /nfs/dbraw/zinc/80/49/60/1053804960.db2.gz BDXIYRRXOPENMO-UHFFFAOYSA-N 1 0 308.425 4.020 20 30 DIEDRO CC(C)C[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC001326863018 1053806356 /nfs/dbraw/zinc/80/63/56/1053806356.db2.gz IWPRRXVCQUAVQD-AEFFLSMTSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC001327348340 1053853958 /nfs/dbraw/zinc/85/39/58/1053853958.db2.gz MHLYZUFEQCHAMI-CZUORRHYSA-N 1 0 313.363 4.086 20 30 DIEDRO C=C(C)CCC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](CC)CC ZINC001436544792 1053897136 /nfs/dbraw/zinc/89/71/36/1053897136.db2.gz WDVGRKJWFUKXJS-LJQANCHMSA-N 1 0 316.489 4.104 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1cc(Br)ncc1F ZINC001231918201 1053917280 /nfs/dbraw/zinc/91/72/80/1053917280.db2.gz XQINJJNWWAFWSY-UHFFFAOYSA-N 1 0 317.246 4.385 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc(C)n1 ZINC001231999938 1053933332 /nfs/dbraw/zinc/93/33/32/1053933332.db2.gz AWUYAKXNBXMAKQ-UHFFFAOYSA-N 1 0 319.452 4.025 20 30 DIEDRO Cc1ccccc1O[C@H](C)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001200772579 1053960891 /nfs/dbraw/zinc/96/08/91/1053960891.db2.gz CGUPGBOYGYPBMS-QGZVFWFLSA-N 1 0 308.425 4.041 20 30 DIEDRO CCCCCCCCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001354802584 1053974963 /nfs/dbraw/zinc/97/49/63/1053974963.db2.gz QDYVJRDVJZTPNT-SFHVURJKSA-N 1 0 308.510 4.118 20 30 DIEDRO C[N@H+](Cc1cccn1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC001232238315 1054000436 /nfs/dbraw/zinc/00/04/36/1054000436.db2.gz JNDLKLNJCFPSGB-UHFFFAOYSA-N 1 0 315.420 4.040 20 30 DIEDRO CC[NH+](CC)CC[C@@H](Nc1ccc(C#N)c(C)n1)c1ccccc1 ZINC001472902746 1054014024 /nfs/dbraw/zinc/01/40/24/1054014024.db2.gz LXLFGZSWNXLUCW-LJQANCHMSA-N 1 0 322.456 4.147 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC001330069845 1054018309 /nfs/dbraw/zinc/01/83/09/1054018309.db2.gz NVDSTTXNTYMORX-GJZGRUSLSA-N 1 0 300.446 4.015 20 30 DIEDRO CSc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cn1 ZINC001232328967 1054020844 /nfs/dbraw/zinc/02/08/44/1054020844.db2.gz QCENDFMJZYPTHM-UHFFFAOYSA-N 1 0 323.465 4.055 20 30 DIEDRO CSc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC001232330010 1054023701 /nfs/dbraw/zinc/02/37/01/1054023701.db2.gz LNKLCQWRRUPWLC-UHFFFAOYSA-N 1 0 323.465 4.055 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC001232358225 1054030837 /nfs/dbraw/zinc/03/08/37/1054030837.db2.gz CARDMLUGCDZTIV-UHFFFAOYSA-N 1 0 310.441 4.449 20 30 DIEDRO C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001330353597 1054035493 /nfs/dbraw/zinc/03/54/93/1054035493.db2.gz IGIBOSCKQABAPD-VBKZILBWSA-N 1 0 324.399 4.141 20 30 DIEDRO C=CCO[C@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC001330432708 1054036290 /nfs/dbraw/zinc/03/62/90/1054036290.db2.gz RHVZCCMNZWRQEK-FQEVSTJZSA-N 1 0 307.437 4.095 20 30 DIEDRO CCC(F)(F)C(C)(C)C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001331675487 1054085929 /nfs/dbraw/zinc/08/59/29/1054085929.db2.gz FAGMXGHLSFSIQX-UHFFFAOYSA-N 1 0 306.400 4.271 20 30 DIEDRO C#CC[N@H+](Cc1ccc2ncsc2c1)[C@@H]1CCc2ccccc21 ZINC001232741014 1054113856 /nfs/dbraw/zinc/11/38/56/1054113856.db2.gz FIUQJQXSAQHFRY-LJQANCHMSA-N 1 0 318.445 4.419 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1cc(C#N)ccc1F ZINC001332407800 1054116849 /nfs/dbraw/zinc/11/68/49/1054116849.db2.gz VERXZWJPLNTTBQ-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC(c3ccc(O)cc3)CC2)CCC1 ZINC001332581888 1054123888 /nfs/dbraw/zinc/12/38/88/1054123888.db2.gz BXSMZXBCAIPRBN-UHFFFAOYSA-N 1 0 312.457 4.436 20 30 DIEDRO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001232892641 1054140933 /nfs/dbraw/zinc/14/09/33/1054140933.db2.gz CGOVOXWLXODYQL-QGZVFWFLSA-N 1 0 308.400 4.467 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001232890600 1054141932 /nfs/dbraw/zinc/14/19/32/1054141932.db2.gz YIWBVBXHPRWDGY-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC3(CCCC3)C2)ccc1Br ZINC001232894924 1054144617 /nfs/dbraw/zinc/14/46/17/1054144617.db2.gz HFZZNNPUOQXWLD-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1F ZINC000848557785 1054148744 /nfs/dbraw/zinc/14/87/44/1054148744.db2.gz KNLDGOFMEHXHKV-AUUYWEPGSA-N 1 0 312.388 4.357 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(Cl)nc1 ZINC000848566785 1054153126 /nfs/dbraw/zinc/15/31/26/1054153126.db2.gz IUBLQKKTXRSFKB-CYBMUJFWSA-N 1 0 311.816 4.337 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(Cl)nc1 ZINC000848566786 1054153249 /nfs/dbraw/zinc/15/32/49/1054153249.db2.gz IUBLQKKTXRSFKB-ZDUSSCGKSA-N 1 0 311.816 4.337 20 30 DIEDRO Cc1ccc(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)c(C#N)c1 ZINC001232966043 1054160337 /nfs/dbraw/zinc/16/03/37/1054160337.db2.gz KQDCVMRCJUKCSR-UHFFFAOYSA-N 1 0 324.468 4.038 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001334049763 1054179920 /nfs/dbraw/zinc/17/99/20/1054179920.db2.gz SQDGEJFHMKMSKI-ROUUACIJSA-N 1 0 317.521 4.093 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)c1 ZINC001233082788 1054182243 /nfs/dbraw/zinc/18/22/43/1054182243.db2.gz ZUUYXVCJMGWWEU-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001233083384 1054182395 /nfs/dbraw/zinc/18/23/95/1054182395.db2.gz IJNDDUUIMMZSTG-UHFFFAOYSA-N 1 0 304.437 4.420 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)c1 ZINC001233083191 1054182523 /nfs/dbraw/zinc/18/25/23/1054182523.db2.gz ABOLCNGUAMCGMM-HXUWFJFHSA-N 1 0 320.436 4.255 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc3c(C)ccc(C)c3nc2Cl)C1 ZINC001233137651 1054191599 /nfs/dbraw/zinc/19/15/99/1054191599.db2.gz XAEXDENEMGYVRU-OAHLLOKOSA-N 1 0 312.844 4.350 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C(C)(C)C)ccc1O ZINC001233285883 1054222155 /nfs/dbraw/zinc/22/21/55/1054222155.db2.gz WPRCLWFDCXLWBA-UHFFFAOYSA-N 1 0 308.425 4.193 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cccc(OCOC)c1 ZINC001233281710 1054222784 /nfs/dbraw/zinc/22/27/84/1054222784.db2.gz NGXULVUXEANKOX-UHFFFAOYSA-N 1 0 311.425 4.248 20 30 DIEDRO C=CC[N@@H+](Cc1cn2ccc(Cl)cc2n1)C1CCCCC1 ZINC001233393089 1054260635 /nfs/dbraw/zinc/26/06/35/1054260635.db2.gz ZXLKILXNZTVASS-UHFFFAOYSA-N 1 0 303.837 4.308 20 30 DIEDRO C[C@H]([NH2+]CCc1coc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC001337265020 1054261480 /nfs/dbraw/zinc/26/14/80/1054261480.db2.gz WRHNWDRXUFLSLW-HNNXBMFYSA-N 1 0 317.392 4.107 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1F)c1ccc(OCC#N)cc1 ZINC001337258419 1054261784 /nfs/dbraw/zinc/26/17/84/1054261784.db2.gz CPESLDYYKJBFPH-GFCCVEGCSA-N 1 0 318.779 4.232 20 30 DIEDRO N#Cc1ccc(OCc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC001473003910 1054263563 /nfs/dbraw/zinc/26/35/63/1054263563.db2.gz ROTKGPVMLWIMQU-UHFFFAOYSA-N 1 0 324.399 4.262 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC001337637324 1054278811 /nfs/dbraw/zinc/27/88/11/1054278811.db2.gz XWOHJWODDWQXOH-HNNXBMFYSA-N 1 0 323.392 4.069 20 30 DIEDRO C=CC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184958835 1054284390 /nfs/dbraw/zinc/28/43/90/1054284390.db2.gz SQXBRGGXURMPCE-SNVBAGLBSA-N 1 0 323.259 4.409 20 30 DIEDRO CCc1cccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1O ZINC000848914013 1054296673 /nfs/dbraw/zinc/29/66/73/1054296673.db2.gz GPUKNBVZUKIMGI-IBGZPJMESA-N 1 0 308.425 4.479 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccc(C#N)cc1F ZINC001338630895 1054310528 /nfs/dbraw/zinc/31/05/28/1054310528.db2.gz IGPWLYNHFOXELN-NSHDSACASA-N 1 0 304.315 4.486 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC001339118821 1054323904 /nfs/dbraw/zinc/32/39/04/1054323904.db2.gz SRBHLXKKCAKRMF-WBMJQRKESA-N 1 0 310.372 4.050 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001440205169 1054340280 /nfs/dbraw/zinc/34/02/80/1054340280.db2.gz VYPFEGDLPFELPF-ZSYWTGECSA-N 1 0 322.537 4.220 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCC2CCC(C#N)CC2)cc1 ZINC000849026506 1054344645 /nfs/dbraw/zinc/34/46/45/1054344645.db2.gz GTMKVJNAYIUENH-FHERZECASA-N 1 0 312.461 4.466 20 30 DIEDRO C[C@H](c1ccccc1)c1ccccc1O[C@H](CC#N)C[N+](C)(C)C ZINC001233780795 1054357539 /nfs/dbraw/zinc/35/75/39/1054357539.db2.gz AGYWVGWINXOHSY-IEBWSBKVSA-N 1 0 323.460 4.206 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1cccc(C)c1)c1ccc(Cl)cc1F ZINC000849051915 1054359794 /nfs/dbraw/zinc/35/97/94/1054359794.db2.gz ZLKCEQOGBVNEOO-MRXNPFEDSA-N 1 0 315.779 4.098 20 30 DIEDRO N#CC1(CCCC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CCC1 ZINC001340729158 1054366531 /nfs/dbraw/zinc/36/65/31/1054366531.db2.gz FVMZDGSJKDEPJY-RBUKOAKNSA-N 1 0 312.457 4.218 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](OC)c1ccc(F)cc1)c1ccco1 ZINC001340991354 1054373511 /nfs/dbraw/zinc/37/35/11/1054373511.db2.gz MKNSNKUBWONGGU-WMZOPIPTSA-N 1 0 303.377 4.403 20 30 DIEDRO C=C(CNC(=[NH2+])Nc1ccc(OC(C)C)cc1)c1ccccc1 ZINC000849078012 1054375005 /nfs/dbraw/zinc/37/50/05/1054375005.db2.gz SBCHAMBJUACJKF-UHFFFAOYSA-N 1 0 309.413 4.123 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC001233865836 1054377597 /nfs/dbraw/zinc/37/75/97/1054377597.db2.gz KFBAIUGDBHOSAN-IBGZPJMESA-N 1 0 306.409 4.088 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1ccc(CC)cc1)c1ccc(Cl)cc1 ZINC000849084447 1054378564 /nfs/dbraw/zinc/37/85/64/1054378564.db2.gz QXOXEJJUPRUVTP-QGZVFWFLSA-N 1 0 311.816 4.213 20 30 DIEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1-c1ccc(C)s1 ZINC001342356009 1054421329 /nfs/dbraw/zinc/42/13/29/1054421329.db2.gz XAANFVNBHBNGNS-OAHLLOKOSA-N 1 0 314.454 4.346 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000172324442 1054423562 /nfs/dbraw/zinc/42/35/62/1054423562.db2.gz BWGLRNHFUXDAFT-UHFFFAOYSA-N 1 0 302.443 4.217 20 30 DIEDRO Cc1cccc(N(C)c2ccc(C[NH+]3CC(CC#N)C3)cc2)c1 ZINC001234157872 1054442685 /nfs/dbraw/zinc/44/26/85/1054442685.db2.gz KDZVTIYQHDAJFD-UHFFFAOYSA-N 1 0 305.425 4.108 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001443332562 1054447432 /nfs/dbraw/zinc/44/74/32/1054447432.db2.gz IFOPTRSISCVQJD-IEBWSBKVSA-N 1 0 322.537 4.316 20 30 DIEDRO CCN(CCC#N)Cc1ccc(N(C)c2ccc(F)cc2)cc1 ZINC001234290871 1054486182 /nfs/dbraw/zinc/48/61/82/1054486182.db2.gz RIYWPEXXMVUOKR-UHFFFAOYSA-N 1 0 311.404 4.329 20 30 DIEDRO CN(c1ccc(F)cc1)c1ccc(CN2CC[C@@](C)(C#N)C2)cc1 ZINC001234299263 1054490268 /nfs/dbraw/zinc/49/02/68/1054490268.db2.gz QHRLOIGYJLOMBA-FQEVSTJZSA-N 1 0 323.415 4.329 20 30 DIEDRO C=C(C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000671295647 1054528983 /nfs/dbraw/zinc/52/89/83/1054528983.db2.gz TXLISMDUOAGOES-MAODMQOUSA-N 1 0 307.437 4.490 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000185358733 1054529887 /nfs/dbraw/zinc/52/98/87/1054529887.db2.gz ZEWSSASDTLYDTP-AWEZNQCLSA-N 1 0 315.363 4.487 20 30 DIEDRO C=CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001446502038 1054537677 /nfs/dbraw/zinc/53/76/77/1054537677.db2.gz FZFKCMRHKVLTIM-IEBWSBKVSA-N 1 0 314.473 4.075 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(C#N)c1 ZINC001347357677 1054566502 /nfs/dbraw/zinc/56/65/02/1054566502.db2.gz SBLGHPLRULRYSS-UHFFFAOYSA-N 1 0 319.452 4.183 20 30 DIEDRO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCCCC#N ZINC000176962643 1054602634 /nfs/dbraw/zinc/60/26/34/1054602634.db2.gz PXRRFXOFVUYHFR-OAHLLOKOSA-N 1 0 305.441 4.091 20 30 DIEDRO C#CCC(C)(C)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000185660232 1054609656 /nfs/dbraw/zinc/60/96/56/1054609656.db2.gz OTPYBZOGIPRPDC-UHFFFAOYSA-N 1 0 312.457 4.036 20 30 DIEDRO CCOc1ccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)cc1 ZINC000073012004 1054611870 /nfs/dbraw/zinc/61/18/70/1054611870.db2.gz BISXEJJHYXUKBG-GOSISDBHSA-N 1 0 324.424 4.056 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C/C=C/c2ccccc2)c1 ZINC000073012050 1054615454 /nfs/dbraw/zinc/61/54/54/1054615454.db2.gz WBPZSHHUDNMEKJ-SSVWKNEZSA-N 1 0 306.409 4.171 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001358229845 1054631284 /nfs/dbraw/zinc/63/12/84/1054631284.db2.gz UITUFEMITXWHDM-OAHLLOKOSA-N 1 0 315.461 4.369 20 30 DIEDRO C[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)Cc1cccc(C#N)c1 ZINC001235047670 1054646461 /nfs/dbraw/zinc/64/64/61/1054646461.db2.gz MSKAYSREKCSVMP-UHFFFAOYSA-N 1 0 319.383 4.324 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001450355747 1054646471 /nfs/dbraw/zinc/64/64/71/1054646471.db2.gz VMSYIWPFICDNRT-SGWGQVFISA-N 1 0 320.521 4.238 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC001450406057 1054648154 /nfs/dbraw/zinc/64/81/54/1054648154.db2.gz FDAVLZUZEQZMTF-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO N#CCC[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000178755989 1054655948 /nfs/dbraw/zinc/65/59/48/1054655948.db2.gz BLTSRMXUEHGFOJ-IBGZPJMESA-N 1 0 316.408 4.211 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)CC1(C)C ZINC001473365727 1054657275 /nfs/dbraw/zinc/65/72/75/1054657275.db2.gz SRCFNCBBDNUPQE-GFCCVEGCSA-N 1 0 321.262 4.189 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307683478 1054705799 /nfs/dbraw/zinc/70/57/99/1054705799.db2.gz MFNOKSPIADZJNJ-INIZCTEOSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@@H](O)[C@H](C)c2ccccc2)CCCC1(C)C ZINC001473432614 1054721740 /nfs/dbraw/zinc/72/17/40/1054721740.db2.gz NVWXIPSPPQZKRH-QRQLOZEOSA-N 1 0 301.474 4.218 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)OC)s1)c1ccccc1 ZINC000180046549 1054728781 /nfs/dbraw/zinc/72/87/81/1054728781.db2.gz ZLLGCWSUCGGJRB-MRXNPFEDSA-N 1 0 315.438 4.332 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180100796 1054733973 /nfs/dbraw/zinc/73/39/73/1054733973.db2.gz GBPVHBCLMTWELS-SFHVURJKSA-N 1 0 304.865 4.031 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001235529357 1054736081 /nfs/dbraw/zinc/73/60/81/1054736081.db2.gz ZCAFOHGAWCTOHI-LJQANCHMSA-N 1 0 312.363 4.368 20 30 DIEDRO Cc1cccc(OC2CC[NH+](Cc3ccccc3CC#N)CC2)c1 ZINC001235524899 1054737242 /nfs/dbraw/zinc/73/72/42/1054737242.db2.gz CBPIAVMRCAOWRP-UHFFFAOYSA-N 1 0 320.436 4.105 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccccc1CC#N ZINC001235522356 1054738459 /nfs/dbraw/zinc/73/84/59/1054738459.db2.gz DMAMKKXGOUMJDW-LJQANCHMSA-N 1 0 306.409 4.098 20 30 DIEDRO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(F)c1 ZINC001235656043 1054760827 /nfs/dbraw/zinc/76/08/27/1054760827.db2.gz AWCSXIHPNFYQIL-INIZCTEOSA-N 1 0 312.363 4.216 20 30 DIEDRO N#CCC[N@H+](Cc1ccc2c(c1)CCN2)C1CCCCCCC1 ZINC001235663080 1054763996 /nfs/dbraw/zinc/76/39/96/1054763996.db2.gz HZIRNLWVVNGLJG-UHFFFAOYSA-N 1 0 311.473 4.483 20 30 DIEDRO N#CCSCCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180580497 1054771913 /nfs/dbraw/zinc/77/19/13/1054771913.db2.gz OBSOAVHMKUJPPP-ZDUSSCGKSA-N 1 0 320.355 4.056 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180952196 1054781740 /nfs/dbraw/zinc/78/17/40/1054781740.db2.gz WIBRCBNVPODBMF-HUUCEWRRSA-N 1 0 321.486 4.018 20 30 DIEDRO C=CCC[N@@H+](Cc1nc2cc(F)ccc2[nH]1)Cc1ccccc1 ZINC001235698542 1054783083 /nfs/dbraw/zinc/78/30/83/1054783083.db2.gz WDDBUEBDAGJJKY-UHFFFAOYSA-N 1 0 309.388 4.280 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(F)c(C#N)c2)nc1 ZINC001235891851 1054833719 /nfs/dbraw/zinc/83/37/19/1054833719.db2.gz UTLJGWJFZYABEV-AWEZNQCLSA-N 1 0 309.388 4.134 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(F)c(C#N)c1 ZINC001235897670 1054837086 /nfs/dbraw/zinc/83/70/86/1054837086.db2.gz IGJKOXFTVDDRTI-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO N#Cc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)ccc1F ZINC001235897899 1054837607 /nfs/dbraw/zinc/83/76/07/1054837607.db2.gz UMBWSZQCLHHGTG-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C#N)c(F)c2)cc1 ZINC000849116126 1054840793 /nfs/dbraw/zinc/84/07/93/1054840793.db2.gz FZVJFSCJPGXSKD-CYBMUJFWSA-N 1 0 324.403 4.347 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1ccco1 ZINC000624032453 1054862357 /nfs/dbraw/zinc/86/23/57/1054862357.db2.gz MUXIAJZHPCNVTJ-PKOBYXMFSA-N 1 0 315.413 4.273 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ncc(Br)s1 ZINC000624038268 1054863969 /nfs/dbraw/zinc/86/39/69/1054863969.db2.gz ZPMBHCQAQCDMGW-SECBINFHSA-N 1 0 303.269 4.159 20 30 DIEDRO Cc1cc(C#N)cnc1-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236001779 1054889589 /nfs/dbraw/zinc/88/95/89/1054889589.db2.gz CCLUYYGDIJONRE-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](CCCCCO)Cc1cccc(C#N)c1 ZINC001236146874 1054968455 /nfs/dbraw/zinc/96/84/55/1054968455.db2.gz BASDPVHVTLRRAQ-GOSISDBHSA-N 1 0 322.452 4.284 20 30 DIEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCCSCC#N)oc21 ZINC000182649538 1055002230 /nfs/dbraw/zinc/00/22/30/1055002230.db2.gz LOXSRMLHDMYMMY-CYBMUJFWSA-N 1 0 318.442 4.129 20 30 DIEDRO Cc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)nc(C)c1C#N ZINC001236245794 1055029833 /nfs/dbraw/zinc/02/98/33/1055029833.db2.gz VWIDQYAEEMFITI-UHFFFAOYSA-N 1 0 323.415 4.362 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(CC#N)c(C)n2)c1 ZINC001236317655 1055053736 /nfs/dbraw/zinc/05/37/36/1055053736.db2.gz PKKRSCZYTJCVRD-UHFFFAOYSA-N 1 0 311.404 4.104 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(C#N)c(CC#N)c2)c1 ZINC001236325488 1055056904 /nfs/dbraw/zinc/05/69/04/1055056904.db2.gz JEQPSNXJGBEZFU-UHFFFAOYSA-N 1 0 321.399 4.272 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cc(C#N)cc(C#N)c2)c1 ZINC001236326038 1055059629 /nfs/dbraw/zinc/05/96/29/1055059629.db2.gz QECDRIOFVYVBCA-UHFFFAOYSA-N 1 0 307.372 4.078 20 30 DIEDRO C=CCC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184791227 1055080724 /nfs/dbraw/zinc/08/07/24/1055080724.db2.gz XRHCAMOLYMCBLP-LBPRGKRZSA-N 1 0 302.443 4.354 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(CC#N)cc3)CC2)C1 ZINC000184746676 1055082130 /nfs/dbraw/zinc/08/21/30/1055082130.db2.gz ZCEXALLABHCGEV-UZLBHIALSA-N 1 0 311.473 4.208 20 30 DIEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1nc(C2CCCCC2)no1 ZINC000185220156 1055090012 /nfs/dbraw/zinc/09/00/12/1055090012.db2.gz NJQPBPDOLLJRAX-CYBMUJFWSA-N 1 0 304.438 4.098 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc3c(C#N)c[nH]c3c2)cc1 ZINC001236436194 1055112031 /nfs/dbraw/zinc/11/20/31/1055112031.db2.gz LKXAYZWNDANURG-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(C#N)c(CC#N)c2)cc1 ZINC001236435689 1055112081 /nfs/dbraw/zinc/11/20/81/1055112081.db2.gz FJXIGDANHUIDSF-UHFFFAOYSA-N 1 0 303.409 4.037 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(/C=N/O)c(F)c2)cc1 ZINC001236448375 1055119473 /nfs/dbraw/zinc/11/94/73/1055119473.db2.gz PFTOYAVQQGMKLK-CIAFOILYSA-N 1 0 300.377 4.046 20 30 DIEDRO CC#Cc1cncc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001236473349 1055133850 /nfs/dbraw/zinc/13/38/50/1055133850.db2.gz DTKAJSNIXLTNOX-YADHBBJMSA-N 1 0 314.432 4.273 20 30 DIEDRO CC(C)Nc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1 ZINC001236486117 1055142549 /nfs/dbraw/zinc/14/25/49/1055142549.db2.gz HEDNOIJHEUKQSB-UHFFFAOYSA-N 1 0 319.452 4.319 20 30 DIEDRO C=CCCCCCN(Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236491381 1055143398 /nfs/dbraw/zinc/14/33/98/1055143398.db2.gz FNNSQYPEOWRKIQ-UHFFFAOYSA-N 1 0 318.480 4.435 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(C#N)cc1F ZINC001236533298 1055164766 /nfs/dbraw/zinc/16/47/66/1055164766.db2.gz WRPPVFMDTHLUAS-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO COc1ccc(-c2ccc(C#N)cc2F)cc1C[NH+]1CCCCC1 ZINC001236532967 1055164905 /nfs/dbraw/zinc/16/49/05/1055164905.db2.gz KBKHGKXPLUTELF-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1cc(C#N)ccc1OC ZINC001236545119 1055172810 /nfs/dbraw/zinc/17/28/10/1055172810.db2.gz MTGVZKCXOXPTOW-UHFFFAOYSA-N 1 0 324.424 4.084 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000764465232 1055190070 /nfs/dbraw/zinc/19/00/70/1055190070.db2.gz WERGWDQULMJYET-ZWKOTPCHSA-N 1 0 308.510 4.118 20 30 DIEDRO COc1ccc2sc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc2c1 ZINC001236660801 1055218146 /nfs/dbraw/zinc/21/81/46/1055218146.db2.gz GCQPAIINVHDTKY-XMQYKBBCSA-N 1 0 312.438 4.176 20 30 DIEDRO COc1ccc2sc(C[N@H+](C)Cc3cccc(C#N)c3)cc2c1 ZINC001236667060 1055220359 /nfs/dbraw/zinc/22/03/59/1055220359.db2.gz HYVMOWUKJFXWNS-UHFFFAOYSA-N 1 0 322.433 4.414 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC001236756152 1055250479 /nfs/dbraw/zinc/25/04/79/1055250479.db2.gz JWTNVWIGUPNBEQ-UHFFFAOYSA-N 1 0 309.450 4.202 20 30 DIEDRO C=CC[N@H+](Cc1ccc(C#N)c(Br)c1)C(C)(C)C ZINC001236866599 1055296056 /nfs/dbraw/zinc/29/60/56/1055296056.db2.gz RMFGVSWPKKSAQZ-UHFFFAOYSA-N 1 0 307.235 4.107 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(Br)c1)C1CCCCC1 ZINC001236854160 1055290809 /nfs/dbraw/zinc/29/08/09/1055290809.db2.gz GASJKQXECNRCGM-UHFFFAOYSA-N 1 0 321.262 4.475 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)c(Br)c1)CC(C)C ZINC001236865303 1055294843 /nfs/dbraw/zinc/29/48/43/1055294843.db2.gz BXXDTAISAGPKQK-UHFFFAOYSA-N 1 0 309.251 4.189 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236857457 1055295336 /nfs/dbraw/zinc/29/53/36/1055295336.db2.gz XMTOMLVAOYHIIK-TXEJJXNPSA-N 1 0 307.235 4.084 20 30 DIEDRO C[N@H+](Cc1ccsc1)Cc1ccc(C#N)c(Br)c1 ZINC001236862084 1055296776 /nfs/dbraw/zinc/29/67/76/1055296776.db2.gz ODVBPZIBEKDIEF-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1OC(F)(F)F ZINC000765014994 1055316494 /nfs/dbraw/zinc/31/64/94/1055316494.db2.gz ZGAKEORGJPZHDQ-LBPRGKRZSA-N 1 0 320.314 4.308 20 30 DIEDRO Cc1cccc(-c2ccc(C[NH+]3CCC(C#N)CC3)cn2)c1C ZINC001236982996 1055322228 /nfs/dbraw/zinc/32/22/28/1055322228.db2.gz XRBWVXJYAKXLGV-UHFFFAOYSA-N 1 0 305.425 4.101 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2)cc1 ZINC000765251956 1055344514 /nfs/dbraw/zinc/34/45/14/1055344514.db2.gz PQGAHQHHOOKOFJ-JKSUJKDBSA-N 1 0 309.409 4.119 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(-c3ccccc3Cl)nc2)CC1 ZINC001237027039 1055344783 /nfs/dbraw/zinc/34/47/83/1055344783.db2.gz RTKHPOYJYPESOW-UHFFFAOYSA-N 1 0 310.828 4.247 20 30 DIEDRO C=CC[N@@H+](C)Cc1cccc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC001237031852 1055347009 /nfs/dbraw/zinc/34/70/09/1055347009.db2.gz ZCSMATHWCRFSOV-UHFFFAOYSA-N 1 0 322.330 4.265 20 30 DIEDRO CCCCCCC[C@H](C)C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000765256412 1055350451 /nfs/dbraw/zinc/35/04/51/1055350451.db2.gz WYFKMUOBHNZBDV-KRWDZBQOSA-N 1 0 318.509 4.032 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000765418063 1055384592 /nfs/dbraw/zinc/38/45/92/1055384592.db2.gz XVOPVOGBFDUWSN-QGZVFWFLSA-N 1 0 303.409 4.236 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000765426539 1055386552 /nfs/dbraw/zinc/38/65/52/1055386552.db2.gz NCYKMGYESNTFTM-XOBRGWDASA-N 1 0 309.384 4.176 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccnc2c(Cl)cccc12 ZINC001237151859 1055388114 /nfs/dbraw/zinc/38/81/14/1055388114.db2.gz FHGUSBHGNVPYKC-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C)ccc32)cc1 ZINC000765427418 1055389988 /nfs/dbraw/zinc/38/99/88/1055389988.db2.gz OJVPWYKBUAJHSA-IIBYNOLFSA-N 1 0 305.421 4.345 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc2ncc(Br)cc2c1 ZINC001237169152 1055391430 /nfs/dbraw/zinc/39/14/30/1055391430.db2.gz XOWCCLFAANIQES-UHFFFAOYSA-N 1 0 317.230 4.171 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC2(COC)CC2)cc1 ZINC000842892325 1055414993 /nfs/dbraw/zinc/41/49/93/1055414993.db2.gz AYQWBTLCTQLIFH-OAHLLOKOSA-N 1 0 323.864 4.285 20 30 DIEDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464577 1055455435 /nfs/dbraw/zinc/45/54/35/1055455435.db2.gz FKXOOFGTZWQFRU-OAHLLOKOSA-N 1 0 315.420 4.169 20 30 DIEDRO CC(C)[N@H+](Cc1cn(C)c2ccc(C#N)cc12)Cc1ccccc1 ZINC001237467451 1055456233 /nfs/dbraw/zinc/45/62/33/1055456233.db2.gz VLRGQGGSQKQXFY-UHFFFAOYSA-N 1 0 317.436 4.461 20 30 DIEDRO Cn1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c2cc(C#N)ccc21 ZINC001237465333 1055456429 /nfs/dbraw/zinc/45/64/29/1055456429.db2.gz IDJOPLWTZIUSPY-GOSISDBHSA-N 1 0 315.420 4.039 20 30 DIEDRO Cc1cccc(O)c1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001237488120 1055459459 /nfs/dbraw/zinc/45/94/59/1055459459.db2.gz RIGVECOIYOJWQB-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO Cn1cc(C[N@H+](C)Cc2ccc(Cl)cc2)c2cc(C#N)ccc21 ZINC001237469847 1055459479 /nfs/dbraw/zinc/45/94/79/1055459479.db2.gz DAGDCJSVEWBBFJ-UHFFFAOYSA-N 1 0 323.827 4.335 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2c(F)cccc12 ZINC001237514458 1055464458 /nfs/dbraw/zinc/46/44/58/1055464458.db2.gz GEJNIKONTWXRTC-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO C[N@H+](Cc1cc(C#N)c(F)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC001237526975 1055466250 /nfs/dbraw/zinc/46/62/50/1055466250.db2.gz SSMQCNRKQSTRBN-UHFFFAOYSA-N 1 0 316.395 4.237 20 30 DIEDRO CCC[N@H+](Cc1ccccc1)Cc1cc(C#N)c(F)cc1F ZINC001237525292 1055467588 /nfs/dbraw/zinc/46/75/88/1055467588.db2.gz CPQXBEUJAHJBIF-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO N#CCC[N@H+](Cc1ccn2nccc2c1)C1CCCCCCC1 ZINC001237537345 1055468729 /nfs/dbraw/zinc/46/87/29/1055468729.db2.gz FEGIRQUQAREZIS-UHFFFAOYSA-N 1 0 310.445 4.163 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c(F)cc1F ZINC001237530024 1055470209 /nfs/dbraw/zinc/47/02/09/1055470209.db2.gz LTOPKHLNGVJGJB-CQSZACIVSA-N 1 0 304.384 4.239 20 30 DIEDRO C[N@H+](Cc1cn2cc(C#N)ccc2n1)C1CCC(C(C)(C)C)CC1 ZINC001237607764 1055486370 /nfs/dbraw/zinc/48/63/70/1055486370.db2.gz ZDJOVQNQUCBYPI-UHFFFAOYSA-N 1 0 324.472 4.243 20 30 DIEDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC001620886414 1055510635 /nfs/dbraw/zinc/51/06/35/1055510635.db2.gz ISEWFUCZHUHTJC-OAHLLOKOSA-N 1 0 322.452 4.152 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC001620900501 1055526637 /nfs/dbraw/zinc/52/66/37/1055526637.db2.gz PVPRFMXJVZIXQX-UHFFFAOYSA-N 1 0 314.473 4.249 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC001620907868 1055531456 /nfs/dbraw/zinc/53/14/56/1055531456.db2.gz GUSZNIPHAODGBB-RISCZKNCSA-N 1 0 312.226 4.423 20 30 DIEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001620917870 1055539428 /nfs/dbraw/zinc/53/94/28/1055539428.db2.gz VSWLBWQYEAYRSD-MRXNPFEDSA-N 1 0 319.489 4.014 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1[nH]c(-c2ccc[nH]2)cc1OC ZINC001237874088 1055548024 /nfs/dbraw/zinc/54/80/24/1055548024.db2.gz DLMRJGHSQGDBKS-UHFFFAOYSA-N 1 0 303.450 4.421 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C1 ZINC001620933549 1055548658 /nfs/dbraw/zinc/54/86/58/1055548658.db2.gz YBIHSZPRBYUHAK-CZUORRHYSA-N 1 0 309.400 4.457 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CC2CCCCCC2)c1 ZINC001620937322 1055550903 /nfs/dbraw/zinc/55/09/03/1055550903.db2.gz MQTHBWYAQBWAJG-UHFFFAOYSA-N 1 0 300.446 4.429 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)c2)cc1 ZINC001620941937 1055554685 /nfs/dbraw/zinc/55/46/85/1055554685.db2.gz MWLBACBTSFQCCL-UHFFFAOYSA-N 1 0 323.436 4.166 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(OCC)c2OCCC)cc1 ZINC001620942552 1055556076 /nfs/dbraw/zinc/55/60/76/1055556076.db2.gz LPLXFLFKYZOLMV-UHFFFAOYSA-N 1 0 323.436 4.145 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](CCC)c2ccccn2)cc1 ZINC000765735439 1055571160 /nfs/dbraw/zinc/57/11/60/1055571160.db2.gz MDXLUPRQNKMDME-OXJNMPFZSA-N 1 0 308.425 4.286 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC001620955251 1055577663 /nfs/dbraw/zinc/57/76/63/1055577663.db2.gz XYTKBWUWTWTMFT-GVDBMIGSSA-N 1 0 324.509 4.404 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CCC)c2ccccn2)cc1 ZINC000765735851 1055578516 /nfs/dbraw/zinc/57/85/16/1055578516.db2.gz MDXLUPRQNKMDME-OXQOHEQNSA-N 1 0 308.425 4.286 20 30 DIEDRO C=CC[N@H+](Cc1cccc(N2CCCCC2)n1)C1CCCCC1 ZINC001238006476 1055580390 /nfs/dbraw/zinc/58/03/90/1055580390.db2.gz JVCZUCDLFHBRCR-UHFFFAOYSA-N 1 0 313.489 4.393 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@]2(C)CCCC[C@H]2C)cc1OC ZINC001620959535 1055590750 /nfs/dbraw/zinc/59/07/50/1055590750.db2.gz BVXNQLQHTISSLO-DNVCBOLYSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)cc1OC ZINC001620959537 1055591150 /nfs/dbraw/zinc/59/11/50/1055591150.db2.gz BVXNQLQHTISSLO-KXBFYZLASA-N 1 0 303.446 4.318 20 30 DIEDRO CCN(Cc1cccc(OC)c1)Cc1ccc(C#N)cc1Cl ZINC001238086712 1055603908 /nfs/dbraw/zinc/60/39/08/1055603908.db2.gz NNKSPUKHXHPIOA-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)C2=CCCC2)cc1OC ZINC001620960562 1055606014 /nfs/dbraw/zinc/60/60/14/1055606014.db2.gz PSQXUYRSVZEUPW-UHFFFAOYSA-N 1 0 315.457 4.486 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3cncc(C4CC4)c3)CC2)c1 ZINC001238187473 1055614600 /nfs/dbraw/zinc/61/46/00/1055614600.db2.gz KDOHBJPJHCVGNB-UHFFFAOYSA-N 1 0 317.436 4.210 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238193113 1055617219 /nfs/dbraw/zinc/61/72/19/1055617219.db2.gz YHFJLGOSUHGBRZ-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(Cl)c(C#N)c2)cc1 ZINC001238192400 1055617987 /nfs/dbraw/zinc/61/79/87/1055617987.db2.gz RZBXOCYGSVWBPH-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO COc1cc(C[N@H+](Cc2ccccc2)C(C)(C)C)ccc1C#N ZINC001238409227 1055652710 /nfs/dbraw/zinc/65/27/10/1055652710.db2.gz AFTSPQLVMBEBTO-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO COc1cc(C[N@H+](C)Cc2ccc3ccccc3c2)ccc1C#N ZINC001238413038 1055652738 /nfs/dbraw/zinc/65/27/38/1055652738.db2.gz LPWFGFBEPMVERY-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CC(C)(C)CC#N ZINC001620964740 1055667523 /nfs/dbraw/zinc/66/75/23/1055667523.db2.gz DOMHSNRGEUEYPD-HNNXBMFYSA-N 1 0 319.468 4.337 20 30 DIEDRO N#Cc1ccc2c(c1)CCN(Cc1ccc(F)c(C3CC3)c1)C2 ZINC001238499666 1055673402 /nfs/dbraw/zinc/67/34/02/1055673402.db2.gz VDFYRFKGQNVILJ-UHFFFAOYSA-N 1 0 306.384 4.133 20 30 DIEDRO CCCCN(CCC#N)Cc1cc(-c2ccncc2)ccc1OC ZINC001238604155 1055693853 /nfs/dbraw/zinc/69/38/53/1055693853.db2.gz NVRBOKGWOCLBAD-UHFFFAOYSA-N 1 0 323.440 4.273 20 30 DIEDRO SC1CC[NH+](Cc2cc(-c3ccccc3)ncc2Cl)CC1 ZINC001238624673 1055701653 /nfs/dbraw/zinc/70/16/53/1055701653.db2.gz IWICUCCDULCICP-UHFFFAOYSA-N 1 0 318.873 4.296 20 30 DIEDRO Cc1cc(OC(C)C)cc(C)c1C[NH+]1CCC(CC#N)CC1 ZINC001238664843 1055711954 /nfs/dbraw/zinc/71/19/54/1055711954.db2.gz RIYTWOIWHCZAJL-UHFFFAOYSA-N 1 0 300.446 4.216 20 30 DIEDRO C=C(CC)C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001620968584 1055726329 /nfs/dbraw/zinc/72/63/29/1055726329.db2.gz BGNZHCCBOOCWCB-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(C)c1OC(C)C ZINC001238752008 1055739156 /nfs/dbraw/zinc/73/91/56/1055739156.db2.gz QYKOSASQYKRJEY-KRWDZBQOSA-N 1 0 300.446 4.216 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@H](c3cccc(OC)c3)C2)ccc1C#N ZINC001238770251 1055745504 /nfs/dbraw/zinc/74/55/04/1055745504.db2.gz ZRSPACYXROBRTL-FQEVSTJZSA-N 1 0 320.436 4.119 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC001566161926 1055745711 /nfs/dbraw/zinc/74/57/11/1055745711.db2.gz XLHMBQGUKSRHQU-WTQUMQLASA-N 1 0 308.510 4.236 20 30 DIEDRO CCc1cc(C[N@H+](CC)Cc2ccc(OC)cc2)ccc1C#N ZINC001238767315 1055745710 /nfs/dbraw/zinc/74/57/10/1055745710.db2.gz AGRWLKCKZTXHKM-UHFFFAOYSA-N 1 0 308.425 4.151 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C2([NH3+])CC2)cc1 ZINC001238842566 1055763039 /nfs/dbraw/zinc/76/30/39/1055763039.db2.gz LMQKIULOPBZWSD-UHFFFAOYSA-N 1 0 302.299 4.192 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001238842757 1055763442 /nfs/dbraw/zinc/76/34/42/1055763442.db2.gz NSAGOTUDXUJUGK-UHFFFAOYSA-N 1 0 304.315 4.306 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1cccc2c1CC[C@H]2[NH3+] ZINC001238844879 1055766265 /nfs/dbraw/zinc/76/62/65/1055766265.db2.gz SFRNGZYHNGVDJQ-MRXNPFEDSA-N 1 0 302.299 4.190 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001238844473 1055766374 /nfs/dbraw/zinc/76/63/74/1055766374.db2.gz JBCJQNYGQSESGD-AWEZNQCLSA-N 1 0 316.326 4.321 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC001566428954 1055773189 /nfs/dbraw/zinc/77/31/89/1055773189.db2.gz OWXZASXBMOSGGR-JKGDOXCYSA-N 1 0 308.510 4.236 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001620974255 1055811789 /nfs/dbraw/zinc/81/17/89/1055811789.db2.gz HJGRFACZWPHHAL-IFMALSPDSA-N 1 0 316.448 4.473 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](CCC)Cc2ccccc2)cc1 ZINC001649060397 1055812793 /nfs/dbraw/zinc/81/27/93/1055812793.db2.gz MTOFAUQRZWSSPD-HXUWFJFHSA-N 1 0 307.437 4.200 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(C#N)c(F)c2)cc1 ZINC001238996438 1055816101 /nfs/dbraw/zinc/81/61/01/1055816101.db2.gz VUNGXIMOZPIJGP-LJQANCHMSA-N 1 0 307.372 4.082 20 30 DIEDRO CCCCCCCCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001597340523 1055816445 /nfs/dbraw/zinc/81/64/45/1055816445.db2.gz HHYBXWSAVVPWQP-KSZLIROESA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N1CC[C@@]2(CC[NH2+]2)C1 ZINC001239278438 1055858193 /nfs/dbraw/zinc/85/81/93/1055858193.db2.gz RAMKXMAUFFJLRZ-IBGZPJMESA-N 1 0 323.525 4.055 20 30 DIEDRO COc1ccc(/C=C/c2ccc(C#N)cc2)cc1C[NH+]1CCCC1 ZINC001239303727 1055863060 /nfs/dbraw/zinc/86/30/60/1055863060.db2.gz DVJIYQLTUMULGX-QPJJXVBHSA-N 1 0 318.420 4.333 20 30 DIEDRO CCCCCCCCOC(=O)Nc1cc([C@H]2CCCC[NH2+]2)no1 ZINC001239312364 1055864698 /nfs/dbraw/zinc/86/46/98/1055864698.db2.gz RLTRNPMETIJMSF-CQSZACIVSA-N 1 0 323.437 4.398 20 30 DIEDRO CCCCCCCCCOC(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001239318715 1055868245 /nfs/dbraw/zinc/86/82/45/1055868245.db2.gz SRFAVBUZLOTBSJ-HNNXBMFYSA-N 1 0 324.490 4.369 20 30 DIEDRO CCCCCCCCCCOC(=O)N1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001239328848 1055873177 /nfs/dbraw/zinc/87/31/77/1055873177.db2.gz OKPOGZJJPYMQHV-CVEARBPZSA-N 1 0 316.461 4.025 20 30 DIEDRO CCCCCCCCCOC(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001239328854 1055873291 /nfs/dbraw/zinc/87/32/91/1055873291.db2.gz NSXPJFULMQIJGK-UHFFFAOYSA-N 1 0 310.482 4.077 20 30 DIEDRO CCCCCCCNC(=S)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001239343755 1055877593 /nfs/dbraw/zinc/87/75/93/1055877593.db2.gz NYBKFKAZBCHLFJ-UHFFFAOYSA-N 1 0 321.534 4.180 20 30 DIEDRO CCCCCCCN(CCCCCCC)C(=S)NCC[NH3+] ZINC001239434726 1055890436 /nfs/dbraw/zinc/89/04/36/1055890436.db2.gz RPVKSCCKOITFNF-UHFFFAOYSA-N 1 0 315.571 4.062 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC)c(F)c2)cc1 ZINC001239518514 1055926101 /nfs/dbraw/zinc/92/61/01/1055926101.db2.gz LHMVUHMBDXHQRT-GOSISDBHSA-N 1 0 312.388 4.219 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC(C)(C)c1cccc(C)c1 ZINC001620757051 1055928277 /nfs/dbraw/zinc/92/82/77/1055928277.db2.gz VTVFQVJMTVCRLL-UHFFFAOYSA-N 1 0 307.437 4.074 20 30 DIEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](CC[NH+](CC)CC)c1ccccc1 ZINC001539914119 1055931156 /nfs/dbraw/zinc/93/11/56/1055931156.db2.gz GODJZYMPMPXDPK-ICSRJNTNSA-N 1 0 316.489 4.178 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001598296502 1055934708 /nfs/dbraw/zinc/93/47/08/1055934708.db2.gz FYAQNUVCEANENG-CQEYOHBHSA-N 1 0 320.521 4.093 20 30 DIEDRO C=CCN1CCC([NH2+]Cc2cccc(-c3ccc(C)cc3)c2)CC1 ZINC001620772675 1055941099 /nfs/dbraw/zinc/94/10/99/1055941099.db2.gz RPZZKHLCCLTPAN-UHFFFAOYSA-N 1 0 320.480 4.402 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001620494090 1055955940 /nfs/dbraw/zinc/95/59/40/1055955940.db2.gz VUDOYFJGNPEPGX-NOOVBMIQSA-N 1 0 302.421 4.355 20 30 DIEDRO C=CCOCC[N@H+]1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001620504272 1055959543 /nfs/dbraw/zinc/95/95/43/1055959543.db2.gz NUGSMHIWPIAKLW-KRWDZBQOSA-N 1 0 311.828 4.079 20 30 DIEDRO C=CCCC[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1ccccc1 ZINC001620542922 1055964616 /nfs/dbraw/zinc/96/46/16/1055964616.db2.gz NLWOBTZDIIHSPN-LJQANCHMSA-N 1 0 314.473 4.123 20 30 DIEDRO CCCCCCC[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168593711 1055966985 /nfs/dbraw/zinc/96/69/85/1055966985.db2.gz DPQXNRWUXHQOOK-HKUYNNGSSA-N 1 0 305.462 4.475 20 30 DIEDRO CCCCCCC[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168593719 1055968282 /nfs/dbraw/zinc/96/82/82/1055968282.db2.gz DPQXNRWUXHQOOK-PKOBYXMFSA-N 1 0 305.462 4.475 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001620998180 1055968278 /nfs/dbraw/zinc/96/82/78/1055968278.db2.gz OFXDDUSLFKFEQM-UHFFFAOYSA-N 1 0 303.393 4.190 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168593717 1055969241 /nfs/dbraw/zinc/96/92/41/1055969241.db2.gz DPQXNRWUXHQOOK-MJGOQNOKSA-N 1 0 305.462 4.475 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC001620573672 1055970354 /nfs/dbraw/zinc/97/03/54/1055970354.db2.gz SFXJFLPAEGICIR-UYZDIKGJSA-N 1 0 318.258 4.198 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1snc(OC)c1Cl ZINC001621004075 1055970927 /nfs/dbraw/zinc/97/09/27/1055970927.db2.gz HUGMRUDYPQJIPC-GHMZBOCLSA-N 1 0 300.855 4.030 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC001621004203 1055971103 /nfs/dbraw/zinc/97/11/03/1055971103.db2.gz NSWWVPLPVFYCRW-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC001620590773 1055972361 /nfs/dbraw/zinc/97/23/61/1055972361.db2.gz DTKDPEVAPCRDID-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO COc1ccc(C[NH2+]CCCCCCc2ccccc2)cc1C#N ZINC001621007057 1055974584 /nfs/dbraw/zinc/97/45/84/1055974584.db2.gz GBWGBSZOIWRZMJ-UHFFFAOYSA-N 1 0 322.452 4.460 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C(C)C)C2CC2)ccc1OC ZINC001621013023 1055977627 /nfs/dbraw/zinc/97/76/27/1055977627.db2.gz NNRNMKYXZOBZBD-IBGZPJMESA-N 1 0 303.446 4.174 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1coc(-c2cccc(OC)c2)n1 ZINC001620646646 1055977931 /nfs/dbraw/zinc/97/79/31/1055977931.db2.gz JTMCRZWYNRSLQV-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[NH2+]C1(C2CCCCC2)CC1 ZINC001620653470 1055978055 /nfs/dbraw/zinc/97/80/55/1055978055.db2.gz DRLZWAXGFHIGFC-UHFFFAOYSA-N 1 0 318.848 4.445 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC001621013615 1055979637 /nfs/dbraw/zinc/97/96/37/1055979637.db2.gz KXKGBVDHXDZVIG-IXDOHACOSA-N 1 0 324.509 4.260 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC001621028941 1055992398 /nfs/dbraw/zinc/99/23/98/1055992398.db2.gz XKYJYOBJICAYES-UHFFFAOYSA-N 1 0 311.853 4.439 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1ccco1 ZINC000671761900 1055997496 /nfs/dbraw/zinc/99/74/96/1055997496.db2.gz DLZBQSKPWAJPAU-HOTGVXAUSA-N 1 0 301.434 4.050 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1ccc2c(c1)nnn2C)c1ccccc1 ZINC001621048343 1056008497 /nfs/dbraw/zinc/00/84/97/1056008497.db2.gz FIOGNOZLJGXBAZ-GOSISDBHSA-N 1 0 320.440 4.156 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2Br)CC1 ZINC001621054335 1056012392 /nfs/dbraw/zinc/01/23/92/1056012392.db2.gz HKYQRVSJPULYRJ-CTYIDZIISA-N 1 0 306.247 4.039 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC001621056438 1056014332 /nfs/dbraw/zinc/01/43/32/1056014332.db2.gz XYBBBAKDULHCBM-UHFFFAOYSA-N 1 0 313.388 4.379 20 30 DIEDRO C#CC[N@@H+](C/C(C)=C/c1ccccc1COC)Cc1ccccc1 ZINC001621323532 1056030854 /nfs/dbraw/zinc/03/08/54/1056030854.db2.gz HWCLANCBFUTHCP-XDJHFCHBSA-N 1 0 319.448 4.372 20 30 DIEDRO C=CCC(CC=C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001583218123 1056041298 /nfs/dbraw/zinc/04/12/98/1056041298.db2.gz VJDDJVNLKYAPCA-UHFFFAOYSA-N 1 0 312.457 4.379 20 30 DIEDRO C=CCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001540579895 1056046300 /nfs/dbraw/zinc/04/63/00/1056046300.db2.gz HQIJFLJUMPAIKS-KRWDZBQOSA-N 1 0 322.880 4.195 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000765779528 1056072157 /nfs/dbraw/zinc/07/21/57/1056072157.db2.gz YGMOEMJYOQEORQ-SECBINFHSA-N 1 0 324.140 4.144 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1csc(C#N)c1 ZINC000921644377 1056095613 /nfs/dbraw/zinc/09/56/13/1056095613.db2.gz PBHQKKCGIBTJED-INIZCTEOSA-N 1 0 300.427 4.259 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2C)C2CC2)cc1 ZINC000186323842 1056106296 /nfs/dbraw/zinc/10/62/96/1056106296.db2.gz JDZVJOVAQYBYOR-HXUWFJFHSA-N 1 0 306.409 4.116 20 30 DIEDRO N#CC1(c2ccccc2-c2ccnc3ccccc32)CC[NH2+]CC1 ZINC001239853960 1056109477 /nfs/dbraw/zinc/10/94/77/1056109477.db2.gz YLDMRCHVEQHZSQ-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000090965535 1056127076 /nfs/dbraw/zinc/12/70/76/1056127076.db2.gz ZUPCFOYTZVHDOW-KFWWJZLASA-N 1 0 323.864 4.425 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CCC2CC2)ccc1OC ZINC000186404718 1056152932 /nfs/dbraw/zinc/15/29/32/1056152932.db2.gz WBKBAJWGMJCUDG-YOEHRIQHSA-N 1 0 316.445 4.044 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(C#N)cc1F ZINC000765811561 1056153325 /nfs/dbraw/zinc/15/33/25/1056153325.db2.gz DPGNLDWTRXNVMW-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO N#Cc1c(F)cc(-c2ccccc2C[NH+]2CCCCC2)cc1F ZINC001239920939 1056161134 /nfs/dbraw/zinc/16/11/34/1056161134.db2.gz PWOSSSAOGIXUHJ-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccncc1 ZINC000090997612 1056162418 /nfs/dbraw/zinc/16/24/18/1056162418.db2.gz MNXHNZQWIXYWFY-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO N#Cc1c(F)cc(-c2cccc(C[NH+]3CCCC3)c2F)cc1F ZINC001239931744 1056166811 /nfs/dbraw/zinc/16/68/11/1056166811.db2.gz RQXDSICRFAIHLO-UHFFFAOYSA-N 1 0 316.326 4.238 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cc(F)c(C#N)c(F)c2)c1 ZINC001239931748 1056167081 /nfs/dbraw/zinc/16/70/81/1056167081.db2.gz RWINMKJPUUSNIZ-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001611707957 1056180288 /nfs/dbraw/zinc/18/02/88/1056180288.db2.gz DXXRVOWMEUWSFR-HXUWFJFHSA-N 1 0 323.415 4.255 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)s1 ZINC000553597867 1056208230 /nfs/dbraw/zinc/20/82/30/1056208230.db2.gz IFNQMUXAFHSVFW-UHFFFAOYSA-N 1 0 312.369 4.309 20 30 DIEDRO C=CCN(Cc1cc(-c2ccco2)on1)Cc1ccc(OC)cc1 ZINC000054272320 1056208538 /nfs/dbraw/zinc/20/85/38/1056208538.db2.gz WMJBEAHNUNUNSB-UHFFFAOYSA-N 1 0 324.380 4.131 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001543391335 1056211854 /nfs/dbraw/zinc/21/18/54/1056211854.db2.gz VHLFTHDXXCLKPU-WMZOPIPTSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001543391332 1056212037 /nfs/dbraw/zinc/21/20/37/1056212037.db2.gz VHLFTHDXXCLKPU-AEFFLSMTSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001543416691 1056215827 /nfs/dbraw/zinc/21/58/27/1056215827.db2.gz ONFRCNPIJYQOHD-UVTDQMKNSA-N 1 0 320.521 4.380 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001584186489 1056279682 /nfs/dbraw/zinc/27/96/82/1056279682.db2.gz SYYCNRMZRDSWHT-DUQGCJEPSA-N 1 0 320.521 4.284 20 30 DIEDRO N#Cc1cnc(-c2ccc(C[NH+]3CCCC3)cc2)c2sccc21 ZINC001240051949 1056286197 /nfs/dbraw/zinc/28/61/97/1056286197.db2.gz ZFTUWERRTRHJEG-UHFFFAOYSA-N 1 0 319.433 4.431 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cc3ccccc3n2C)cc1C#N ZINC001621066900 1056333025 /nfs/dbraw/zinc/33/30/25/1056333025.db2.gz CYRYSNZZRLXAEC-UHFFFAOYSA-N 1 0 321.449 4.062 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000554089977 1056344182 /nfs/dbraw/zinc/34/41/82/1056344182.db2.gz KBIAWEGYDCCOTQ-BTRQGYIVSA-N 1 0 310.441 4.026 20 30 DIEDRO Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2)nc(C)c1C#N ZINC001240168471 1056359850 /nfs/dbraw/zinc/35/98/50/1056359850.db2.gz MBLBKLIZUGTWON-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO N#Cc1cc(C[NH2+]CC2(Sc3ccccc3)CC2)cs1 ZINC000921723134 1056377159 /nfs/dbraw/zinc/37/71/59/1056377159.db2.gz WZLWVJAMMMJTSM-UHFFFAOYSA-N 1 0 300.452 4.034 20 30 DIEDRO Cc1cc(C)c2nc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ccc2c1 ZINC001240343426 1056437386 /nfs/dbraw/zinc/43/73/86/1056437386.db2.gz OMMOFAJBJZINMG-UHFFFAOYSA-N 1 0 313.404 4.077 20 30 DIEDRO Cc1c(C)c(C)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c(C)c1C ZINC001240345940 1056439261 /nfs/dbraw/zinc/43/92/61/1056439261.db2.gz VIOWPGSRDOFPBD-UHFFFAOYSA-N 1 0 304.437 4.454 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC(=O)OCc1ccccc1)c1ccccc1 ZINC001168656308 1056439455 /nfs/dbraw/zinc/43/94/55/1056439455.db2.gz BIDOKNGPGAMDHO-HXUWFJFHSA-N 1 0 323.436 4.417 20 30 DIEDRO CC(C)(C)Oc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240351066 1056442115 /nfs/dbraw/zinc/44/21/15/1056442115.db2.gz LHSPIWHBKKPGAI-UHFFFAOYSA-N 1 0 306.409 4.089 20 30 DIEDRO Cc1cc(OC(C)C)cc(C)c1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240350494 1056442505 /nfs/dbraw/zinc/44/25/05/1056442505.db2.gz CXJCHURJNJUDJK-UHFFFAOYSA-N 1 0 320.436 4.316 20 30 DIEDRO CC(C)(C)Oc1cc(F)cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240355291 1056443837 /nfs/dbraw/zinc/44/38/37/1056443837.db2.gz CNVSRRMHCOWGFJ-UHFFFAOYSA-N 1 0 324.399 4.228 20 30 DIEDRO CCCOc1ccc(C)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240361767 1056445155 /nfs/dbraw/zinc/44/51/55/1056445155.db2.gz VKYCJCKDEYXGRS-UHFFFAOYSA-N 1 0 306.409 4.009 20 30 DIEDRO Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1OC(C)C ZINC001240361475 1056445601 /nfs/dbraw/zinc/44/56/01/1056445601.db2.gz QPCMWAXYTUNYFS-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO N#Cc1cc(-c2cc(F)c(F)c(C(F)F)c2)cc(C2C[NH2+]C2)c1 ZINC001240361797 1056445705 /nfs/dbraw/zinc/44/57/05/1056445705.db2.gz WCPRTWDJRHVCGV-UHFFFAOYSA-N 1 0 320.289 4.128 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(CC)cc1)c1ccccc1 ZINC001168658718 1056451272 /nfs/dbraw/zinc/45/12/72/1056451272.db2.gz YSRDDZADQAJVQV-HXUWFJFHSA-N 1 0 322.452 4.485 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(CC)cc1)c1ccccc1 ZINC001168658717 1056451669 /nfs/dbraw/zinc/45/16/69/1056451669.db2.gz YSRDDZADQAJVQV-FQEVSTJZSA-N 1 0 322.452 4.485 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2nc3ncccc3cc2C#N)cc1 ZINC001240367704 1056453589 /nfs/dbraw/zinc/45/35/89/1056453589.db2.gz BMXRJUMGDWMHLF-UHFFFAOYSA-N 1 0 316.408 4.057 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2cc(F)c(C#N)c(F)c2)cc1 ZINC001240370213 1056456711 /nfs/dbraw/zinc/45/67/11/1056456711.db2.gz FLELQOBKWPBTIS-UHFFFAOYSA-N 1 0 300.352 4.392 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](c2cccnc2)C(C)C)c1 ZINC001620826988 1056462355 /nfs/dbraw/zinc/46/23/55/1056462355.db2.gz AIYOFBHUXFEVBR-HXUWFJFHSA-N 1 0 310.441 4.176 20 30 DIEDRO Cc1cc(C2=CCC[N@H+](Cc3ccccc3)C2)ccc1CC#N ZINC001240387763 1056471730 /nfs/dbraw/zinc/47/17/30/1056471730.db2.gz WEOLSXBHSPFMJM-UHFFFAOYSA-N 1 0 302.421 4.350 20 30 DIEDRO CC(C)(C#N)c1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001240388352 1056471982 /nfs/dbraw/zinc/47/19/82/1056471982.db2.gz KPNFCRQKYINZRZ-UHFFFAOYSA-N 1 0 317.436 4.172 20 30 DIEDRO N#Cc1c[nH]c2cc(C3=CCC[N@H+](Cc4ccccc4)C3)ccc12 ZINC001240388497 1056472206 /nfs/dbraw/zinc/47/22/06/1056472206.db2.gz MURYSRMWDAVZSB-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC001615195753 1056473863 /nfs/dbraw/zinc/47/38/63/1056473863.db2.gz VKETVNVBVBISQT-HXUWFJFHSA-N 1 0 312.457 4.372 20 30 DIEDRO N#CCc1c(F)cccc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240389022 1056474143 /nfs/dbraw/zinc/47/41/43/1056474143.db2.gz RTEPNGBBWCOLOK-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001615229582 1056479754 /nfs/dbraw/zinc/47/97/54/1056479754.db2.gz KXDUQCKZICKXNN-HZPDHXFCSA-N 1 0 314.256 4.240 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001615223754 1056479807 /nfs/dbraw/zinc/47/98/07/1056479807.db2.gz WQTCOEKAPBRJIX-MRXNPFEDSA-N 1 0 306.409 4.316 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC001615229705 1056480067 /nfs/dbraw/zinc/48/00/67/1056480067.db2.gz MPPMNHRGNPVTBM-MRXNPFEDSA-N 1 0 308.425 4.458 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001615229704 1056481048 /nfs/dbraw/zinc/48/10/48/1056481048.db2.gz MPPMNHRGNPVTBM-INIZCTEOSA-N 1 0 308.425 4.458 20 30 DIEDRO N#Cc1cc(-c2ccc(C[NH+]3CCCCC3)cn2)ccc1Cl ZINC001240404549 1056486144 /nfs/dbraw/zinc/48/61/44/1056486144.db2.gz ZFUPDOISTJMLQN-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(C)CCC(C)CC1)C(C)C ZINC001585128502 1056488602 /nfs/dbraw/zinc/48/86/02/1056488602.db2.gz IMZBJHQDSDWXER-FDYSRKEFSA-N 1 0 320.521 4.018 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(C)CCC(C)CC1)C(C)C ZINC001585128503 1056489719 /nfs/dbraw/zinc/48/97/19/1056489719.db2.gz IMZBJHQDSDWXER-QPIRBTGLSA-N 1 0 320.521 4.018 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(N(C)CC)cc1)Cc1cccc(C#N)c1 ZINC001615331922 1056494793 /nfs/dbraw/zinc/49/47/93/1056494793.db2.gz DWYJCLUWLVPAOT-UHFFFAOYSA-N 1 0 319.452 4.203 20 30 DIEDRO C#CC[N@@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C1CCCCC1 ZINC001615367121 1056499229 /nfs/dbraw/zinc/49/92/29/1056499229.db2.gz RFZYUTQWCHTFEU-ROUUACIJSA-N 1 0 303.396 4.303 20 30 DIEDRO C#CC[N@@H+](CCSc1ccc(F)cc1F)C1CCCCC1 ZINC001615367149 1056499246 /nfs/dbraw/zinc/49/92/46/1056499246.db2.gz SDBQRSGLKJOELW-UHFFFAOYSA-N 1 0 309.425 4.325 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 ZINC001615367137 1056499297 /nfs/dbraw/zinc/49/92/97/1056499297.db2.gz ROTFBQHTQUYYKO-UHFFFAOYSA-N 1 0 320.358 4.345 20 30 DIEDRO CCCCCCCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001615383216 1056501580 /nfs/dbraw/zinc/50/15/80/1056501580.db2.gz FGNJLKFZVOQVCV-UHFFFAOYSA-N 1 0 317.452 4.180 20 30 DIEDRO C#CCC[N@H+](Cc1ccccc1)[C@H](C)Cc1ccccc1OC ZINC001615384168 1056502693 /nfs/dbraw/zinc/50/26/93/1056502693.db2.gz USCQEYOCDUGIFO-GOSISDBHSA-N 1 0 307.437 4.152 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001585225167 1056510803 /nfs/dbraw/zinc/51/08/03/1056510803.db2.gz SCCKMHHSVNNOHJ-ZWKOTPCHSA-N 1 0 308.510 4.070 20 30 DIEDRO COc1ccc([C@H](C)N(C)Cc2cn3ccccc3c2C#N)cc1 ZINC000073986799 1056513527 /nfs/dbraw/zinc/51/35/27/1056513527.db2.gz SAOXGJYYHBWJNQ-HNNXBMFYSA-N 1 0 319.408 4.013 20 30 DIEDRO N#CC1(CCCC[N@@H+](Cc2cccc(O)c2)CC2CC2)CCC1 ZINC001615465709 1056515179 /nfs/dbraw/zinc/51/51/79/1056515179.db2.gz HOUYGTPZPDWRDT-UHFFFAOYSA-N 1 0 312.457 4.468 20 30 DIEDRO N#Cc1cc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000921824527 1056520286 /nfs/dbraw/zinc/52/02/86/1056520286.db2.gz OCQIBKPFUPIKPQ-CMPLNLGQSA-N 1 0 302.365 4.078 20 30 DIEDRO N#CCC1(C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)CC1 ZINC001615490658 1056520711 /nfs/dbraw/zinc/52/07/11/1056520711.db2.gz QUBQBIPEVVHRTN-UHFFFAOYSA-N 1 0 302.849 4.288 20 30 DIEDRO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCCCC1 ZINC001615503970 1056524630 /nfs/dbraw/zinc/52/46/30/1056524630.db2.gz ALPDUGBYSFUCJE-UHFFFAOYSA-N 1 0 306.381 4.302 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC001615510980 1056525637 /nfs/dbraw/zinc/52/56/37/1056525637.db2.gz ZRHGZNLBDUEFCV-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC001615558625 1056532863 /nfs/dbraw/zinc/53/28/63/1056532863.db2.gz HEADNLVQFCBZEF-BEFAXECRSA-N 1 0 308.400 4.118 20 30 DIEDRO Cc1ccc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1C#N ZINC001615559613 1056533786 /nfs/dbraw/zinc/53/37/86/1056533786.db2.gz QYVGWUZGZCUZKV-HNAYVOBHSA-N 1 0 308.400 4.384 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001544965306 1056536244 /nfs/dbraw/zinc/53/62/44/1056536244.db2.gz ZOFMFVQPPQCETI-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC001615788714 1056574379 /nfs/dbraw/zinc/57/43/79/1056574379.db2.gz HOKYHLWRSLZBLL-QFIPXVFZSA-N 1 0 316.448 4.428 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(C(=O)NC)cc2)cc1 ZINC001240571229 1056582179 /nfs/dbraw/zinc/58/21/79/1056582179.db2.gz KRIOYDMSGPKVSD-FQEVSTJZSA-N 1 0 320.436 4.036 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)CCc2ccc(C#N)cc2)C1(CC)CC ZINC001615999672 1056606103 /nfs/dbraw/zinc/60/61/03/1056606103.db2.gz TURRKPOXXJSTEV-MOPGFXCFSA-N 1 0 314.473 4.016 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC)c(OC)c2)cc1 ZINC001240624527 1056619730 /nfs/dbraw/zinc/61/97/30/1056619730.db2.gz ZCFMYSJCRSZTCD-GOSISDBHSA-N 1 0 324.424 4.089 20 30 DIEDRO C[C@H]1Cc2cc(C[NH2+][C@@H](CCC#N)c3ccccc3)ccc2O1 ZINC000921923285 1056625570 /nfs/dbraw/zinc/62/55/70/1056625570.db2.gz JUCMSYGOCCTMCR-KXBFYZLASA-N 1 0 306.409 4.145 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2SCC)c1 ZINC001620830892 1056646072 /nfs/dbraw/zinc/64/60/72/1056646072.db2.gz BVKMQOXCGGAEHB-ROUUACIJSA-N 1 0 305.487 4.405 20 30 DIEDRO N#CCCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000338773482 1056651345 /nfs/dbraw/zinc/65/13/45/1056651345.db2.gz BLARDXAYPBRWCC-HNNXBMFYSA-N 1 0 307.235 4.110 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1 ZINC000076904240 1056666611 /nfs/dbraw/zinc/66/66/11/1056666611.db2.gz JIEIWJOPALPGPF-UHFFFAOYSA-N 1 0 316.470 4.350 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001616570343 1056680064 /nfs/dbraw/zinc/68/00/64/1056680064.db2.gz RJTOMEAOWYVACR-UHFFFAOYSA-N 1 0 315.420 4.211 20 30 DIEDRO C[C@]1([NH2+]CCCOc2ccc(C#N)cc2)CCCc2ccccc21 ZINC001616576466 1056681266 /nfs/dbraw/zinc/68/12/66/1056681266.db2.gz LDHITDWRMXDUPL-NRFANRHFSA-N 1 0 320.436 4.168 20 30 DIEDRO C=CC[N@@H+](CCCCOc1ccc(Br)cc1)C1CC1 ZINC001616577534 1056681546 /nfs/dbraw/zinc/68/15/46/1056681546.db2.gz XGLOKJBDWDSYME-UHFFFAOYSA-N 1 0 324.262 4.259 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001616709189 1056704646 /nfs/dbraw/zinc/70/46/46/1056704646.db2.gz CDUDRCZWFIZYHO-OALUTQOASA-N 1 0 322.537 4.460 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001616737686 1056707767 /nfs/dbraw/zinc/70/77/67/1056707767.db2.gz DGYXAAIPYOFCJW-KRWDZBQOSA-N 1 0 318.461 4.198 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)c1 ZINC000113320393 1056713275 /nfs/dbraw/zinc/71/32/75/1056713275.db2.gz JHUYYTLOECMSNE-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC001616808995 1056722769 /nfs/dbraw/zinc/72/27/69/1056722769.db2.gz ULYORYKWGIBEPS-CYBMUJFWSA-N 1 0 300.352 4.304 20 30 DIEDRO CC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC001616841851 1056726987 /nfs/dbraw/zinc/72/69/87/1056726987.db2.gz LYYQPHAOLHBBSB-LJQANCHMSA-N 1 0 313.828 4.441 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC001616848632 1056727686 /nfs/dbraw/zinc/72/76/86/1056727686.db2.gz MICWHZIBGCQSCY-LBPRGKRZSA-N 1 0 312.251 4.465 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccco1 ZINC000672620049 1056736998 /nfs/dbraw/zinc/73/69/98/1056736998.db2.gz SHJBDKRYRMTAIM-WBVHZDCISA-N 1 0 319.832 4.306 20 30 DIEDRO CCc1ccccc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000077446380 1056744569 /nfs/dbraw/zinc/74/45/69/1056744569.db2.gz BQEVAFTXBZNJKY-UHFFFAOYSA-N 1 0 308.425 4.221 20 30 DIEDRO N#Cc1cc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cs1 ZINC000922018114 1056745349 /nfs/dbraw/zinc/74/53/49/1056745349.db2.gz HFPAIVKJWJPIHL-CQSZACIVSA-N 1 0 310.344 4.055 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000672617560 1056745448 /nfs/dbraw/zinc/74/54/48/1056745448.db2.gz ZFUQNTKLOOIXAF-APWZRJJASA-N 1 0 304.478 4.021 20 30 DIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC ZINC001617133954 1056781307 /nfs/dbraw/zinc/78/13/07/1056781307.db2.gz UEYIIKFTELIGMB-MGPUTAFESA-N 1 0 308.425 4.301 20 30 DIEDRO CCCCCCC[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001617282924 1056806624 /nfs/dbraw/zinc/80/66/24/1056806624.db2.gz GOLYLGMUMAWBSU-INIZCTEOSA-N 1 0 312.498 4.192 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC001617311302 1056811429 /nfs/dbraw/zinc/81/14/29/1056811429.db2.gz RMICZJMEMDSOLG-ABAIWWIYSA-N 1 0 312.226 4.431 20 30 DIEDRO CCCCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1 ZINC001617316751 1056811466 /nfs/dbraw/zinc/81/14/66/1056811466.db2.gz DPWWAFSPVMZSNS-DLBZAZTESA-N 1 0 312.498 4.194 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000922126534 1056826082 /nfs/dbraw/zinc/82/60/82/1056826082.db2.gz AWNVTWIEPAMBIQ-UHFFFAOYSA-N 1 0 309.413 4.293 20 30 DIEDRO C=C(CC)C[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC001617538826 1056846312 /nfs/dbraw/zinc/84/63/12/1056846312.db2.gz MTOJUNOWRSBEIS-HNNXBMFYSA-N 1 0 303.446 4.271 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2ccnc(Br)c2)CCCC1(C)C ZINC001617604793 1056856702 /nfs/dbraw/zinc/85/67/02/1056856702.db2.gz WVTIZWXREMLUBS-AWEZNQCLSA-N 1 0 323.278 4.411 20 30 DIEDRO COCC#CC[N@H+](C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001617604041 1056856956 /nfs/dbraw/zinc/85/69/56/1056856956.db2.gz NEVXLNCGYVHDHK-GOSISDBHSA-N 1 0 305.849 4.153 20 30 DIEDRO C=CC[C@H]1[N@@H+](CCC(=O)OCc2ccccc2)CCCC1(C)C ZINC001617604129 1056857045 /nfs/dbraw/zinc/85/70/45/1056857045.db2.gz ONEUGNLTZNUJSB-GOSISDBHSA-N 1 0 315.457 4.187 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC001617610678 1056858352 /nfs/dbraw/zinc/85/83/52/1056858352.db2.gz LCXQUZIXNRGHKC-QFBILLFUSA-N 1 0 320.436 4.253 20 30 DIEDRO C#CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC001617627615 1056860068 /nfs/dbraw/zinc/86/00/68/1056860068.db2.gz IEDFLKWVFHYCSA-IYWMVGAKSA-N 1 0 305.506 4.222 20 30 DIEDRO CC(C)(C)CCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001617774329 1056880674 /nfs/dbraw/zinc/88/06/74/1056880674.db2.gz KMEBEOCHEHUZQS-UHFFFAOYSA-N 1 0 318.436 4.367 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001617790671 1056883480 /nfs/dbraw/zinc/88/34/80/1056883480.db2.gz AFRXNNYNEURJKB-YADHBBJMSA-N 1 0 319.448 4.432 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)C1(C)C ZINC001617807604 1056886954 /nfs/dbraw/zinc/88/69/54/1056886954.db2.gz OYJHAJJWAIVATN-IAGOWNOFSA-N 1 0 320.864 4.285 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c2cccnc12)c1ccc(C#N)cc1 ZINC001617881746 1056896570 /nfs/dbraw/zinc/89/65/70/1056896570.db2.gz KPCZGEVHYGFTIC-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001618070537 1056920076 /nfs/dbraw/zinc/92/00/76/1056920076.db2.gz QXWFWFNABWFEHL-FQEVSTJZSA-N 1 0 320.436 4.207 20 30 DIEDRO CCCC[C@@H](C)[N@H+](CCCC)CC(=O)Nc1ccc(C#N)cc1 ZINC001618102842 1056923938 /nfs/dbraw/zinc/92/39/38/1056923938.db2.gz VGPWTLAVUYSMIK-MRXNPFEDSA-N 1 0 315.461 4.178 20 30 DIEDRO N#CC1(C[N@H+]2CCCCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC001618208032 1056934751 /nfs/dbraw/zinc/93/47/51/1056934751.db2.gz KPFXAPQPDIJBOL-MRXNPFEDSA-N 1 0 302.849 4.431 20 30 DIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCOc1ccccc1C#N ZINC000315049847 1056952431 /nfs/dbraw/zinc/95/24/31/1056952431.db2.gz PCELBWHTOYLEER-AWEZNQCLSA-N 1 0 314.816 4.283 20 30 DIEDRO CCOc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1C ZINC001241198492 1056953823 /nfs/dbraw/zinc/95/38/23/1056953823.db2.gz JULOUYVGAUTEIF-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO CC(C)(C)c1coc(CN[C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000922190691 1056960875 /nfs/dbraw/zinc/96/08/75/1056960875.db2.gz OJOHRVVSDJMUBA-MRXNPFEDSA-N 1 0 309.413 4.011 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc(Cl)c(F)c2)CC[NH2+]CC1 ZINC001241232908 1056971795 /nfs/dbraw/zinc/97/17/95/1056971795.db2.gz YTWYUNFVQXGTAV-UHFFFAOYSA-N 1 0 314.791 4.291 20 30 DIEDRO C[N@H+](CCCSCC#N)Cc1ccc(Cl)cc1Cl ZINC000080626053 1056978471 /nfs/dbraw/zinc/97/84/71/1056978471.db2.gz CMFHLFVKNVDBIW-UHFFFAOYSA-N 1 0 303.258 4.072 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1 ZINC000358355758 1056984207 /nfs/dbraw/zinc/98/42/07/1056984207.db2.gz SITDZUGEQZGLAW-JKSUJKDBSA-N 1 0 313.363 4.481 20 30 DIEDRO CCCCCCCC(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC001626075254 1057002613 /nfs/dbraw/zinc/00/26/13/1057002613.db2.gz ONMGFVPDJBGJBS-UHFFFAOYSA-N 1 0 306.450 4.056 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccccc1 ZINC000922334380 1057011179 /nfs/dbraw/zinc/01/11/79/1057011179.db2.gz IEYLEGWOJKXTBN-GOSISDBHSA-N 1 0 309.457 4.096 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccccc1 ZINC001168724511 1057015322 /nfs/dbraw/zinc/01/53/22/1057015322.db2.gz XZBDQTJLWPFZRF-MRXNPFEDSA-N 1 0 319.326 4.281 20 30 DIEDRO N#CC1(c2ccccc2-c2cc(Cl)ccc2F)CC[NH2+]CC1 ZINC001241331348 1057017631 /nfs/dbraw/zinc/01/76/31/1057017631.db2.gz AXJSUDOVJSSBHI-UHFFFAOYSA-N 1 0 314.791 4.291 20 30 DIEDRO N#CC1(c2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)nc2)CC1 ZINC001241386406 1057034035 /nfs/dbraw/zinc/03/40/35/1057034035.db2.gz CRZPRKLUBDXPGP-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO COc1cc(-c2ccc(C[NH+]3CCCCC3)cc2)cc(F)c1C#N ZINC001241390348 1057035963 /nfs/dbraw/zinc/03/59/63/1057035963.db2.gz NXVJWXVPCZJUFZ-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000922587116 1057036833 /nfs/dbraw/zinc/03/68/33/1057036833.db2.gz WJSOCPCYWQQPGU-HXUWFJFHSA-N 1 0 321.424 4.005 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cnc(C2CC2)s1 ZINC000922601196 1057038640 /nfs/dbraw/zinc/03/86/40/1057038640.db2.gz XWOPZVONXCLTQW-UHFFFAOYSA-N 1 0 311.454 4.003 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1csc(C2CC2)n1 ZINC000922599690 1057038705 /nfs/dbraw/zinc/03/87/05/1057038705.db2.gz KAZMQACTECHEDE-UHFFFAOYSA-N 1 0 311.454 4.003 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)o1)C1c2ccccc2-c2ccccc21 ZINC000093686872 1057040041 /nfs/dbraw/zinc/04/00/41/1057040041.db2.gz WQVGYNOLZMAHNP-UHFFFAOYSA-N 1 0 300.361 4.353 20 30 DIEDRO CC[C@H](NCc1ccc(C#N)cc1F)c1cc(F)ccc1OC ZINC000922621480 1057040394 /nfs/dbraw/zinc/04/03/94/1057040394.db2.gz LUEYZFMEUVGLST-KRWDZBQOSA-N 1 0 316.351 4.086 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154959964 1057041627 /nfs/dbraw/zinc/04/16/27/1057041627.db2.gz BOWMKTOZKKBFEP-UZLBHIALSA-N 1 0 305.425 4.196 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(C#N)cc2OC)cc1F ZINC001241409032 1057044638 /nfs/dbraw/zinc/04/46/38/1057044638.db2.gz SWXODAKYZUJTLO-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(OC)s2)cc1 ZINC001241415731 1057045807 /nfs/dbraw/zinc/04/58/07/1057045807.db2.gz GZVHGURZRHHRHU-HNNXBMFYSA-N 1 0 300.427 4.142 20 30 DIEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000922668019 1057046864 /nfs/dbraw/zinc/04/68/64/1057046864.db2.gz YXXSOGRFOFVEKX-GJZGRUSLSA-N 1 0 312.388 4.276 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1C ZINC000922671877 1057047095 /nfs/dbraw/zinc/04/70/95/1057047095.db2.gz HAQPWKPXNMFPEX-CVEARBPZSA-N 1 0 324.424 4.145 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)cs2)C2CCC2)cc1 ZINC000922888010 1057089798 /nfs/dbraw/zinc/08/97/98/1057089798.db2.gz INYJRVJGAPXHNJ-SFHVURJKSA-N 1 0 312.438 4.259 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1 ZINC001241586121 1057099845 /nfs/dbraw/zinc/09/98/45/1057099845.db2.gz MRUVWZRUFJSMCP-MRCUWXFGSA-N 1 0 308.425 4.320 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](CC)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766018436 1057108604 /nfs/dbraw/zinc/10/86/04/1057108604.db2.gz HYAOBENPQPFSLR-ROUUACIJSA-N 1 0 324.424 4.211 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCCc2nc(CC)sc21)c1ccncc1 ZINC000766018248 1057108771 /nfs/dbraw/zinc/10/87/71/1057108771.db2.gz GUWCEDNLYLHDAC-GJZGRUSLSA-N 1 0 313.470 4.385 20 30 DIEDRO Cc1cc(C)c(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1C ZINC001241635187 1057116197 /nfs/dbraw/zinc/11/61/97/1057116197.db2.gz HDONCBIKFIOXPT-UHFFFAOYSA-N 1 0 304.437 4.424 20 30 DIEDRO N#Cc1cc(F)cc(-c2ccc(SC3CC[NH2+]CC3)cc2)c1 ZINC001241660661 1057126777 /nfs/dbraw/zinc/12/67/77/1057126777.db2.gz YWSAEHLXTXQVPM-UHFFFAOYSA-N 1 0 312.413 4.208 20 30 DIEDRO N#Cc1cc(F)cc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)c1 ZINC001241660467 1057126877 /nfs/dbraw/zinc/12/68/77/1057126877.db2.gz SFUAQMIAPMEGAO-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cc(F)cc(C#N)c2)c1 ZINC001241660406 1057126899 /nfs/dbraw/zinc/12/68/99/1057126899.db2.gz QSBPAVHPQZDMJS-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO CC[C@H](C)[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000028963560 1057130799 /nfs/dbraw/zinc/13/07/99/1057130799.db2.gz FTASNFZIFIKHPZ-INIZCTEOSA-N 1 0 303.409 4.231 20 30 DIEDRO CC[NH+]1CCN(c2ccc(-c3ccc([C@@H](C)C#N)cc3)cc2)CC1 ZINC001241744059 1057154180 /nfs/dbraw/zinc/15/41/80/1057154180.db2.gz MDVQORWWUXMPDC-KRWDZBQOSA-N 1 0 319.452 4.123 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2sccc2Cl)c1 ZINC000785470293 1057158906 /nfs/dbraw/zinc/15/89/06/1057158906.db2.gz ZXTMSCDKLHBXTQ-ZDUSSCGKSA-N 1 0 320.845 4.372 20 30 DIEDRO CC[N@H+](CCSc1ccncc1)[C@H](C)c1ccc(C#N)cc1 ZINC000929332058 1057159841 /nfs/dbraw/zinc/15/98/41/1057159841.db2.gz YRKRYUKAGZXFNG-OAHLLOKOSA-N 1 0 311.454 4.128 20 30 DIEDRO CC[N@H+](CCSc1ccncc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929332047 1057160069 /nfs/dbraw/zinc/16/00/69/1057160069.db2.gz YRKRYUKAGZXFNG-HNNXBMFYSA-N 1 0 311.454 4.128 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000625701119 1057192448 /nfs/dbraw/zinc/19/24/48/1057192448.db2.gz OQIWFNMKAWXJPB-GFCCVEGCSA-N 1 0 304.340 4.018 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2nnc(-c3cc(C)c(CC)s3)o2)C1 ZINC000625701102 1057192526 /nfs/dbraw/zinc/19/25/26/1057192526.db2.gz NAEQSMZQDSBSIE-ZDUSSCGKSA-N 1 0 317.458 4.067 20 30 DIEDRO [NH3+]Cc1ccc(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC001241915055 1057210077 /nfs/dbraw/zinc/21/00/77/1057210077.db2.gz MYXKLNRGYVEBLG-UHFFFAOYSA-N 1 0 323.211 4.388 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000658028355 1057231256 /nfs/dbraw/zinc/23/12/56/1057231256.db2.gz CUZOUOXJMWTMAT-OQIJWPOYSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CCN(Cc1ccc(Cl)s1)Cc1ccc(OCC)cn1 ZINC000674389036 1057238558 /nfs/dbraw/zinc/23/85/58/1057238558.db2.gz ZEXPMBZEFVASRE-UHFFFAOYSA-N 1 0 322.861 4.383 20 30 DIEDRO CO[C@@H](C)c1cccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001242042040 1057248249 /nfs/dbraw/zinc/24/82/49/1057248249.db2.gz WUQKCRRHOHKGAQ-INIZCTEOSA-N 1 0 320.436 4.206 20 30 DIEDRO N#Cc1ccc2ccnc(-c3cccc(C[NH+]4CCCC4)c3)c2c1 ZINC001242118261 1057268265 /nfs/dbraw/zinc/26/82/65/1057268265.db2.gz VQGILMVTLBHMSP-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO COc1ccc(CC#N)cc1-c1cccc(C[NH+]2CCCC2)c1 ZINC001242118815 1057268933 /nfs/dbraw/zinc/26/89/33/1057268933.db2.gz ZDSZXHMZBHXGQU-UHFFFAOYSA-N 1 0 306.409 4.024 20 30 DIEDRO N#Cc1nccc2cc(-c3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC001242122753 1057270055 /nfs/dbraw/zinc/27/00/55/1057270055.db2.gz ORZUMFOETPJTCP-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO C[NH+](C)CCOc1ccc(-c2ccccc2C2(C#N)CCC2)cc1 ZINC001242152663 1057281806 /nfs/dbraw/zinc/28/18/06/1057281806.db2.gz NPAVRPKBCKLYAH-UHFFFAOYSA-N 1 0 320.436 4.239 20 30 DIEDRO C=C(C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000674877821 1057294958 /nfs/dbraw/zinc/29/49/58/1057294958.db2.gz AFCMNPVTIRRNRD-RXVVDRJESA-N 1 0 306.453 4.125 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)cc1 ZINC000675103341 1057315949 /nfs/dbraw/zinc/31/59/49/1057315949.db2.gz PBNMPRUPJVPVPL-QGZVFWFLSA-N 1 0 315.800 4.128 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000675103569 1057316050 /nfs/dbraw/zinc/31/60/50/1057316050.db2.gz XCAUBDZGRKAAOG-QGZVFWFLSA-N 1 0 315.800 4.128 20 30 DIEDRO C#Cc1ccc(-c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)cc1 ZINC001242295126 1057325340 /nfs/dbraw/zinc/32/53/40/1057325340.db2.gz SLPCTQGWMDBZKB-QKLQHJQFSA-N 1 0 313.404 4.024 20 30 DIEDRO COc1cccc(-c2ccc(SC3CC[NH2+]CC3)cc2)c1C#N ZINC001242300050 1057325998 /nfs/dbraw/zinc/32/59/98/1057325998.db2.gz GKTZFFBPJDASAS-UHFFFAOYSA-N 1 0 324.449 4.078 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cccc(OC)c2C#N)nc1 ZINC001242299431 1057326277 /nfs/dbraw/zinc/32/62/77/1057326277.db2.gz LASZROPCHABXMV-IBGZPJMESA-N 1 0 321.424 4.176 20 30 DIEDRO CC1(C)CC(=O)C=C(c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)C1 ZINC001242315595 1057331627 /nfs/dbraw/zinc/33/16/27/1057331627.db2.gz OQGQOROQFVJAQM-UHFFFAOYSA-N 1 0 309.453 4.027 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(C2=CC(=O)CC(C)(C)C2)nc1 ZINC001242316653 1057333009 /nfs/dbraw/zinc/33/30/09/1057333009.db2.gz JTCMTKKTMZEOIZ-IBGZPJMESA-N 1 0 312.457 4.401 20 30 DIEDRO Cc1ccc(-c2cnc(C#N)c(C)c2)c(C[NH+]2CCCCC2)c1 ZINC001242357136 1057343701 /nfs/dbraw/zinc/34/37/01/1057343701.db2.gz HUCBLDYNDXSPID-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO CC(C)COc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000173985562 1057347519 /nfs/dbraw/zinc/34/75/19/1057347519.db2.gz QDBWBSUSOVKCIN-INIZCTEOSA-N 1 0 308.425 4.444 20 30 DIEDRO C[C@H]([NH2+]CCCCOCc1ccccc1)c1ccc(C#N)cc1 ZINC000174022612 1057349026 /nfs/dbraw/zinc/34/90/26/1057349026.db2.gz HGDKTNYWXZRLNT-KRWDZBQOSA-N 1 0 308.425 4.206 20 30 DIEDRO CCN(CC)[C@H](C[NH2+]CC(C)(C)CCC#N)c1ccsc1 ZINC000174267381 1057355550 /nfs/dbraw/zinc/35/55/50/1057355550.db2.gz DWKRPEQSSJHXKP-MRXNPFEDSA-N 1 0 307.507 4.051 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)c1ccc(F)cc1Cl ZINC000174386284 1057359844 /nfs/dbraw/zinc/35/98/44/1057359844.db2.gz MOEOPZRUFCHMRU-UHFFFAOYSA-N 1 0 306.768 4.011 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccncc1 ZINC000174436265 1057362040 /nfs/dbraw/zinc/36/20/40/1057362040.db2.gz RNZDWMNCXOINEP-IBGZPJMESA-N 1 0 309.413 4.005 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cccc3c2OCCO3)cc1 ZINC001242469721 1057375912 /nfs/dbraw/zinc/37/59/12/1057375912.db2.gz HEWPXASUWKZUKZ-IBGZPJMESA-N 1 0 321.420 4.448 20 30 DIEDRO COc1ccc(-c2ccc(C#N)cc2C)cc1C[NH+]1CCCC1 ZINC001242475652 1057377245 /nfs/dbraw/zinc/37/72/45/1057377245.db2.gz ZBFSKJLAGSMVCK-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO COc1ccc(-c2cc(C)cc(C#N)c2)cc1C[NH+]1CCCC1 ZINC001242480375 1057379440 /nfs/dbraw/zinc/37/94/40/1057379440.db2.gz BSQYKLLJMIGJKC-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO Cc1ccc(-c2ccc(O)c(C#N)c2)c(C[NH+]2CCCCC2)c1 ZINC001242566183 1057406453 /nfs/dbraw/zinc/40/64/53/1057406453.db2.gz MBQJKHSUCSQMLL-UHFFFAOYSA-N 1 0 306.409 4.225 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(O)c(C#N)c2)nc1 ZINC001242563679 1057406957 /nfs/dbraw/zinc/40/69/57/1057406957.db2.gz VBUYFOXAYJATOX-IBGZPJMESA-N 1 0 321.424 4.263 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2ccc(C[NH+]3CCCCC3)cn2)c1 ZINC001242571783 1057410045 /nfs/dbraw/zinc/41/00/45/1057410045.db2.gz VGNNTCVBWOYBSH-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000675783550 1057414310 /nfs/dbraw/zinc/41/43/10/1057414310.db2.gz KKMOOTYUBMKOOP-MRXNPFEDSA-N 1 0 309.409 4.212 20 30 DIEDRO N#Cc1cc(F)ccc1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001242584587 1057415091 /nfs/dbraw/zinc/41/50/91/1057415091.db2.gz XKIZGVNYMQJAGM-UHFFFAOYSA-N 1 0 312.413 4.208 20 30 DIEDRO Cc1ccc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)c(C#N)c1 ZINC001242592091 1057416823 /nfs/dbraw/zinc/41/68/23/1057416823.db2.gz NTZPXEUZJDMGLV-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000675934086 1057434937 /nfs/dbraw/zinc/43/49/37/1057434937.db2.gz HTVWWNAJSBALRT-BXUZGUMPSA-N 1 0 302.418 4.491 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000676017378 1057444190 /nfs/dbraw/zinc/44/41/90/1057444190.db2.gz BHHBPYOHZONGOK-JJXUHFIVSA-N 1 0 324.468 4.425 20 30 DIEDRO N#Cc1ccc(C(F)(F)F)nc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242686295 1057446974 /nfs/dbraw/zinc/44/69/74/1057446974.db2.gz CFKFFVNQFMURBD-CQSZACIVSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1cc2ccccc2nc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242688408 1057447023 /nfs/dbraw/zinc/44/70/23/1057447023.db2.gz ONQVPHIRUMHXSV-SFHVURJKSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1c(F)c(F)c(C2=CC[C@H]([NH+]3CCCC3)CC2)c(F)c1F ZINC001242692817 1057449606 /nfs/dbraw/zinc/44/96/06/1057449606.db2.gz KSQHJRRPENSHDT-NSHDSACASA-N 1 0 324.321 4.146 20 30 DIEDRO C[C@@H]1CC(=O)C=C(c2[nH+]ccc3c2ccn3Cc2ccccc2)C1 ZINC001242736735 1057463813 /nfs/dbraw/zinc/46/38/13/1057463813.db2.gz ITSKMMPTEJIROZ-HNNXBMFYSA-N 1 0 316.404 4.467 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(C2=CC(=O)C[C@@H](C)C2)nc1 ZINC001242739501 1057464527 /nfs/dbraw/zinc/46/45/27/1057464527.db2.gz DNRDGLNGEFWWOX-YWZLYKJASA-N 1 0 312.457 4.401 20 30 DIEDRO COc1ccc(C2=CC(=O)C[C@@H](C)C2)c(C[NH+]2CCCCC2)c1 ZINC001242742504 1057465306 /nfs/dbraw/zinc/46/53/06/1057465306.db2.gz RWGXEZKGGWWPQK-HNNXBMFYSA-N 1 0 313.441 4.064 20 30 DIEDRO N#CC1(c2ccccc2-c2cccc(OC3CC3)c2)CC[NH2+]CC1 ZINC001242805198 1057485057 /nfs/dbraw/zinc/48/50/57/1057485057.db2.gz HZSJUVHAINZEMX-UHFFFAOYSA-N 1 0 318.420 4.040 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000676637111 1057491011 /nfs/dbraw/zinc/49/10/11/1057491011.db2.gz FVRDPFORGDLRMJ-OAQYLSRUSA-N 1 0 322.452 4.495 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cc(Cl)cc2c1OCC2 ZINC000922986175 1057519867 /nfs/dbraw/zinc/51/98/67/1057519867.db2.gz DFSPWLRECMYVRF-SNVBAGLBSA-N 1 0 318.829 4.059 20 30 DIEDRO CC#Cc1cncc(-c2cc(C[NH+]3CCCCC3)ccc2C)c1 ZINC001242941994 1057524840 /nfs/dbraw/zinc/52/48/40/1057524840.db2.gz LPHYZELFCHYWMZ-UHFFFAOYSA-N 1 0 304.437 4.414 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cncc(COC)c2)cc1 ZINC001242957038 1057529120 /nfs/dbraw/zinc/52/91/20/1057529120.db2.gz KHOAAZNICSBDSF-FQEVSTJZSA-N 1 0 308.425 4.218 20 30 DIEDRO C=CCC1([NH2+]C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CCCCC1 ZINC000625934410 1057538776 /nfs/dbraw/zinc/53/87/76/1057538776.db2.gz MRQDJJFSSXOTCR-QGZVFWFLSA-N 1 0 320.521 4.140 20 30 DIEDRO C=C(C)C[N@@H+](CCCOC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000671724490 1057549413 /nfs/dbraw/zinc/54/94/13/1057549413.db2.gz UHGRKXWIVBNFOH-UHFFFAOYSA-N 1 0 307.482 4.047 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)c1ccco1 ZINC000671762127 1057558587 /nfs/dbraw/zinc/55/85/87/1057558587.db2.gz DADDXTOUIATQME-QUCCMNQESA-N 1 0 313.441 4.118 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000488251860 1057578662 /nfs/dbraw/zinc/57/86/62/1057578662.db2.gz RVASHTVMAHIXLL-UHFFFAOYSA-N 1 0 305.487 4.358 20 30 DIEDRO C[C@H](C#N)C[N@H+](CCCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000611091625 1057582584 /nfs/dbraw/zinc/58/25/84/1057582584.db2.gz IHGRFGOKIFTJSF-CYBMUJFWSA-N 1 0 310.363 4.262 20 30 DIEDRO COc1cccc(C[N@H+](CC(C)C)CC(C)(C)CCC#N)c1 ZINC000611257863 1057587152 /nfs/dbraw/zinc/58/71/52/1057587152.db2.gz FPBQZMHIDPVCEH-UHFFFAOYSA-N 1 0 302.462 4.483 20 30 DIEDRO C[N@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)CC(C)(C)CCC#N ZINC000611266732 1057587320 /nfs/dbraw/zinc/58/73/20/1057587320.db2.gz FSLWAPWPZUIJLJ-OALUTQOASA-N 1 0 314.473 4.416 20 30 DIEDRO Cc1ccncc1[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611299727 1057590552 /nfs/dbraw/zinc/59/05/52/1057590552.db2.gz DZUFACCUIZLDLY-FQVISZRSSA-N 1 0 319.452 4.445 20 30 DIEDRO CCOCc1ccccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390743 1057595084 /nfs/dbraw/zinc/59/50/84/1057595084.db2.gz RKCKPSOUTLMJKT-OAQYLSRUSA-N 1 0 320.436 4.262 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Oc1ccc(F)cc1 ZINC000611393014 1057595237 /nfs/dbraw/zinc/59/52/37/1057595237.db2.gz CUVCLZRWVMFODA-JLTOFOAXSA-N 1 0 324.399 4.132 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000611393319 1057595468 /nfs/dbraw/zinc/59/54/68/1057595468.db2.gz BUBHOUYUQYVTOC-SFTDATJTSA-N 1 0 319.452 4.360 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](CCCO)c1ccccc1 ZINC000611393246 1057595474 /nfs/dbraw/zinc/59/54/74/1057595474.db2.gz QYWSFNWIFAGAEZ-NHCUHLMSSA-N 1 0 320.436 4.039 20 30 DIEDRO COCc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000611392986 1057595547 /nfs/dbraw/zinc/59/55/47/1057595547.db2.gz ARTYAIJHJSOZEI-FQEVSTJZSA-N 1 0 324.399 4.011 20 30 DIEDRO COc1cccc(C[C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394239 1057596030 /nfs/dbraw/zinc/59/60/30/1057596030.db2.gz YEBRDOYENMNXAA-BTYIYWSLSA-N 1 0 320.436 4.165 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000611394234 1057596254 /nfs/dbraw/zinc/59/62/54/1057596254.db2.gz XIDZLPCDIRDGQJ-RTBURBONSA-N 1 0 322.383 4.188 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000611395133 1057596270 /nfs/dbraw/zinc/59/62/70/1057596270.db2.gz LRBXTTTXGWEODQ-NEWSRXKRSA-N 1 0 312.457 4.119 20 30 DIEDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394075 1057596312 /nfs/dbraw/zinc/59/63/12/1057596312.db2.gz DKNSAJNKQWPXRA-UXHICEINSA-N 1 0 318.420 4.276 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1[N+](=O)[O-] ZINC000611395301 1057596680 /nfs/dbraw/zinc/59/66/80/1057596680.db2.gz KGPZNYVSXHRSLZ-SCLBCKFNSA-N 1 0 321.380 4.195 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611396339 1057597056 /nfs/dbraw/zinc/59/70/56/1057597056.db2.gz MOWLZMMDPPYHNO-GOSISDBHSA-N 1 0 313.832 4.484 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCOC1CCCCC1 ZINC000611390094 1057597582 /nfs/dbraw/zinc/59/75/82/1057597582.db2.gz BQFTYPZFXHIVCR-FQEVSTJZSA-N 1 0 312.457 4.265 20 30 DIEDRO CC(C)OC1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611394643 1057597613 /nfs/dbraw/zinc/59/76/13/1057597613.db2.gz UPHZOYNYARCPKV-AFMYVXGZSA-N 1 0 312.457 4.261 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(c2ccccc2)CC1 ZINC000611391006 1057598280 /nfs/dbraw/zinc/59/82/80/1057598280.db2.gz ZIPHSVXSUUIBNO-HXUWFJFHSA-N 1 0 302.421 4.257 20 30 DIEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611434123 1057599189 /nfs/dbraw/zinc/59/91/89/1057599189.db2.gz PADNPMBSGUBUBL-PJSAGSTRSA-N 1 0 311.816 4.094 20 30 DIEDRO CC(C)Cc1ccc([C@H]([NH2+]Cc2ccnc(C#N)c2)C2CC2)cc1 ZINC000611433571 1057599605 /nfs/dbraw/zinc/59/96/05/1057599605.db2.gz QHULRXWUCNXJHK-NRFANRHFSA-N 1 0 319.452 4.393 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000611438543 1057600477 /nfs/dbraw/zinc/60/04/77/1057600477.db2.gz SPIWZACHRRYUQX-ZDUSSCGKSA-N 1 0 318.342 4.470 20 30 DIEDRO C[N@H+](CCC(C)(C)C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611462489 1057600605 /nfs/dbraw/zinc/60/06/05/1057600605.db2.gz HSAZLPYAHJXJJI-ROUUACIJSA-N 1 0 300.446 4.026 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000611473461 1057602323 /nfs/dbraw/zinc/60/23/23/1057602323.db2.gz HIBSUYLTHOUAJN-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000611477482 1057602812 /nfs/dbraw/zinc/60/28/12/1057602812.db2.gz RGQYWEWJWBGZLV-QWFCFKBJSA-N 1 0 312.457 4.119 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCCc4cc(C#N)ccc43)CC2)c1 ZINC000611476007 1057602955 /nfs/dbraw/zinc/60/29/55/1057602955.db2.gz WXVSBGRDUUAJTB-HXUWFJFHSA-N 1 0 313.404 4.086 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCc4c3cc(F)cc4F)CC2)c1 ZINC000611475984 1057603096 /nfs/dbraw/zinc/60/30/96/1057603096.db2.gz MCYXCAYPXLZJIC-GOSISDBHSA-N 1 0 310.347 4.103 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611476927 1057603241 /nfs/dbraw/zinc/60/32/41/1057603241.db2.gz FDJQBCPWVPPHKO-NRFANRHFSA-N 1 0 319.452 4.418 20 30 DIEDRO C[C@@H]([N@H+](C)Cc1ccc(C#N)cc1Br)C(C)(C)C ZINC000611500388 1057604028 /nfs/dbraw/zinc/60/40/28/1057604028.db2.gz LBCNKDKIUHHQOG-LLVKDONJSA-N 1 0 309.251 4.187 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727109556 1057634320 /nfs/dbraw/zinc/63/43/20/1057634320.db2.gz QRLQRSAKSCSEND-GOSISDBHSA-N 1 0 308.510 4.214 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(C#N)c(CC#N)c1 ZINC001243337776 1057651192 /nfs/dbraw/zinc/65/11/92/1057651192.db2.gz GCLXLUAWTJFCJO-UHFFFAOYSA-N 1 0 303.409 4.133 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(CC#N)c(OC)c1 ZINC001243339321 1057652085 /nfs/dbraw/zinc/65/20/85/1057652085.db2.gz SHEVJMAXVKBDCQ-UHFFFAOYSA-N 1 0 308.425 4.270 20 30 DIEDRO N#CC1(c2ccc(-c3cncc(C[NH+]4CCCCC4)c3)cc2)CC1 ZINC001243422214 1057679019 /nfs/dbraw/zinc/67/90/19/1057679019.db2.gz LOHJUNABXLPECN-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO N#CC1(c2ccc(-c3ccc(C4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001243423120 1057679614 /nfs/dbraw/zinc/67/96/14/1057679614.db2.gz NQPOTDNVTAFCPB-UHFFFAOYSA-N 1 0 302.421 4.376 20 30 DIEDRO N#Cc1c2c(cnc1-c1ccc(C3CCCC3)cc1)C[NH2+]CCC2 ZINC001243491988 1057694858 /nfs/dbraw/zinc/69/48/58/1057694858.db2.gz KGXIMISHUXHJQD-UHFFFAOYSA-N 1 0 317.436 4.314 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(OCC#N)cc2)nc1 ZINC001243590406 1057726209 /nfs/dbraw/zinc/72/62/09/1057726209.db2.gz WBXSDLMJXJKCRE-HXUWFJFHSA-N 1 0 321.424 4.198 20 30 DIEDRO CC(C)CC[N@H+](Cc1ccc(OCC#N)cc1)C1CCCC1 ZINC000731212012 1057737242 /nfs/dbraw/zinc/73/72/42/1057737242.db2.gz NUXLYHBAEFZOQA-UHFFFAOYSA-N 1 0 300.446 4.380 20 30 DIEDRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccc(OCC#N)cc2)c(C)c1 ZINC000731211632 1057737901 /nfs/dbraw/zinc/73/79/01/1057737901.db2.gz RROZFCONSJHZAC-KRWDZBQOSA-N 1 0 308.425 4.399 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1Cl ZINC000731211511 1057738246 /nfs/dbraw/zinc/73/82/46/1057738246.db2.gz LRQQQPJSQDQXRQ-UHFFFAOYSA-N 1 0 314.816 4.264 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000731212261 1057738335 /nfs/dbraw/zinc/73/83/35/1057738335.db2.gz BOVHTEMESWVASR-HXUWFJFHSA-N 1 0 320.436 4.186 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000731212260 1057738385 /nfs/dbraw/zinc/73/83/85/1057738385.db2.gz BOVHTEMESWVASR-FQEVSTJZSA-N 1 0 320.436 4.186 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(C(C)(C)C#N)nc3)cc2)CC1 ZINC001243654143 1057744741 /nfs/dbraw/zinc/74/47/41/1057744741.db2.gz DDIVJXIQILXPNP-UHFFFAOYSA-N 1 0 319.452 4.359 20 30 DIEDRO CC1(C)CCc2cc(C[NH2+]Cc3ccc(C#N)cc3F)ccc2O1 ZINC000731678032 1057752020 /nfs/dbraw/zinc/75/20/20/1057752020.db2.gz FNSMUSXPBYWXJF-UHFFFAOYSA-N 1 0 324.399 4.091 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c(F)c1 ZINC000731848154 1057755956 /nfs/dbraw/zinc/75/59/56/1057755956.db2.gz VFGPPWQPEGRWAF-UHFFFAOYSA-N 1 0 324.399 4.348 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731845878 1057756142 /nfs/dbraw/zinc/75/61/42/1057756142.db2.gz LGBWSTGTDVEQAI-UHFFFAOYSA-N 1 0 324.399 4.348 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2ccc(OC)cc2C#N)c1F ZINC001243732082 1057765200 /nfs/dbraw/zinc/76/52/00/1057765200.db2.gz IYGYNUPUGAQOLE-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(OC)cc2C#N)ccc1OC ZINC001243732360 1057765367 /nfs/dbraw/zinc/76/53/67/1057765367.db2.gz PWBLEJHWGYRWER-UHFFFAOYSA-N 1 0 324.424 4.084 20 30 DIEDRO COc1ccc(-c2cc(C[NH+]3CCCC3)ccc2C)c(C#N)c1 ZINC001243732840 1057765474 /nfs/dbraw/zinc/76/54/74/1057765474.db2.gz ZCSWIYBZKCTFQA-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000732204416 1057770518 /nfs/dbraw/zinc/77/05/18/1057770518.db2.gz KUNSXINIKBCURD-UHFFFAOYSA-N 1 0 324.399 4.348 20 30 DIEDRO C=CC[N@@H+](C[C@@H](O)c1c(F)cccc1F)CC1CCCCC1 ZINC000732668344 1057782709 /nfs/dbraw/zinc/78/27/09/1057782709.db2.gz YQZVWKPBUUCFBA-QGZVFWFLSA-N 1 0 309.400 4.067 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC)cc2)cc1 ZINC000733322193 1057811671 /nfs/dbraw/zinc/81/16/71/1057811671.db2.gz BYKTWKGMLQKBNP-KRWDZBQOSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(SC)cc2)cc1 ZINC000733324180 1057812599 /nfs/dbraw/zinc/81/25/99/1057812599.db2.gz LSIZMMANIGVYCS-HNNXBMFYSA-N 1 0 311.450 4.271 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCc3cc(C)ccc32)cc1 ZINC000733326073 1057812811 /nfs/dbraw/zinc/81/28/11/1057812811.db2.gz HLWZTQZJBRCVFR-OAQYLSRUSA-N 1 0 305.421 4.174 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCC2)cc1 ZINC000733326881 1057812847 /nfs/dbraw/zinc/81/28/47/1057812847.db2.gz AIDUTYVXTZZBSA-UHFFFAOYSA-N 1 0 309.384 4.007 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCc3cc(C)ccc32)cc1 ZINC000733326072 1057812919 /nfs/dbraw/zinc/81/29/19/1057812919.db2.gz HLWZTQZJBRCVFR-NRFANRHFSA-N 1 0 305.421 4.174 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)cc1 ZINC000733325553 1057813001 /nfs/dbraw/zinc/81/30/01/1057813001.db2.gz QWFVOFFDGXCZIE-INIZCTEOSA-N 1 0 305.421 4.038 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)Cc2ccccc2C)cc1 ZINC000733324961 1057813233 /nfs/dbraw/zinc/81/32/33/1057813233.db2.gz NSVVIHMDDPDQPP-SFHVURJKSA-N 1 0 307.437 4.118 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)cc1 ZINC000733325240 1057813314 /nfs/dbraw/zinc/81/33/14/1057813314.db2.gz AJLKQLDZRBXQMF-UHFFFAOYSA-N 1 0 323.436 4.166 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(F)nc(F)c2)cc1 ZINC001243973107 1057824988 /nfs/dbraw/zinc/82/49/88/1057824988.db2.gz DKMGGWGQXJEFKX-INIZCTEOSA-N 1 0 300.352 4.350 20 30 DIEDRO CC[N@@H+]1CCc2cc(-c3cccc(C4(C#N)CC4)c3)ccc2C1 ZINC001244071867 1057857934 /nfs/dbraw/zinc/85/79/34/1057857934.db2.gz LHCKPFRTKTYPIM-UHFFFAOYSA-N 1 0 302.421 4.287 20 30 DIEDRO C[N@@H+]1CCc2c(F)cc(-c3ccc(C#N)cc3Cl)cc2C1 ZINC001244331062 1057935232 /nfs/dbraw/zinc/93/52/32/1057935232.db2.gz ICMYLBIBFGRGKH-UHFFFAOYSA-N 1 0 300.764 4.006 20 30 DIEDRO N#Cc1ccc(-c2cncc(C[NH+]3CCCCC3)c2)c(Cl)c1 ZINC001244329881 1057935254 /nfs/dbraw/zinc/93/52/54/1057935254.db2.gz GTULUWSFZRFUTD-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO N#Cc1ccc(-c2ccc(OC3CC[NH2+]CC3)cc2)c(Cl)c1 ZINC001244330572 1057935413 /nfs/dbraw/zinc/93/54/13/1057935413.db2.gz PHKFUGLKPYBMIJ-UHFFFAOYSA-N 1 0 312.800 4.009 20 30 DIEDRO Cc1ccc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)cc1C#N ZINC001244480055 1057971510 /nfs/dbraw/zinc/97/15/10/1057971510.db2.gz OVRPCEPSEFICKX-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3ccc(C)c(C#N)c3)c(C)c2)CC1 ZINC001244482925 1057972380 /nfs/dbraw/zinc/97/23/80/1057972380.db2.gz WBWNGGRSEVVRGG-UHFFFAOYSA-N 1 0 317.436 4.346 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(C)cc2CO)cc1 ZINC001244491354 1057974405 /nfs/dbraw/zinc/97/44/05/1057974405.db2.gz IWNPEZAIJPBMIL-OAQYLSRUSA-N 1 0 307.437 4.477 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(C)c(C#N)c2)ccc1OC ZINC001244494607 1057974823 /nfs/dbraw/zinc/97/48/23/1057974823.db2.gz SRCVCFBZGJYKJW-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO N#Cc1ccc(F)c(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)c1 ZINC001244555967 1057994920 /nfs/dbraw/zinc/99/49/20/1057994920.db2.gz DCVBPECQBNTEJI-WOJBJXKFSA-N 1 0 324.399 4.151 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cc(C#N)ccc2F)ccc1OC ZINC001244557974 1057995435 /nfs/dbraw/zinc/99/54/35/1057995435.db2.gz DQJCRBCMNFQRDN-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2cc(C#N)ccc2F)cc1F ZINC001244557814 1057995460 /nfs/dbraw/zinc/99/54/60/1057995460.db2.gz APPAOJWJOVHZAT-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO N#Cc1ccc(F)c(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)c1 ZINC001244558106 1057995679 /nfs/dbraw/zinc/99/56/79/1057995679.db2.gz GWIMZAPZXWFQCV-UHFFFAOYSA-N 1 0 316.326 4.238 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(OC)c(C#N)c2)cc1F ZINC001244710895 1058033061 /nfs/dbraw/zinc/03/30/61/1058033061.db2.gz PGEAWQJGTVXWSY-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)cc1C#N ZINC001244710983 1058033443 /nfs/dbraw/zinc/03/34/43/1058033443.db2.gz REJRQABNNKJKMH-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001244725733 1058036039 /nfs/dbraw/zinc/03/60/39/1058036039.db2.gz ZOYOMORVFIXZMI-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO C[N@@H+]1CCc2c(F)cc(-c3cccc(Cl)c3C#N)cc2C1 ZINC001244735834 1058037403 /nfs/dbraw/zinc/03/74/03/1058037403.db2.gz XSPQXWBPFYUCFS-UHFFFAOYSA-N 1 0 300.764 4.006 20 30 DIEDRO Cc1c(C#N)cccc1-c1cccc2c1C1(CC2)CC[NH2+]CC1 ZINC001244816077 1058051834 /nfs/dbraw/zinc/05/18/34/1058051834.db2.gz VBOSUCHOZFYEJT-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(CO)cc(OC)c2)cc1 ZINC001244841705 1058057175 /nfs/dbraw/zinc/05/71/75/1058057175.db2.gz IAMUAZWSTAFREF-OAQYLSRUSA-N 1 0 323.436 4.177 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2ncc(C#N)c3ccsc32)c1F ZINC001244863028 1058059455 /nfs/dbraw/zinc/05/94/55/1058059455.db2.gz HFRINDSNWRBWPG-UHFFFAOYSA-N 1 0 311.385 4.036 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)c(N)c2)cc1 ZINC001244900399 1058068437 /nfs/dbraw/zinc/06/84/37/1058068437.db2.gz UJEFIGSDLLHFLE-IBGZPJMESA-N 1 0 308.425 4.267 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc(F)c3ccoc32)CC[NH2+]CC1 ZINC001244933051 1058075103 /nfs/dbraw/zinc/07/51/03/1058075103.db2.gz ZDSIGJCXMCTMLA-UHFFFAOYSA-N 1 0 320.367 4.384 20 30 DIEDRO N#Cc1cccc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)c1F ZINC001245072886 1058107162 /nfs/dbraw/zinc/10/71/62/1058107162.db2.gz VWCRRCPAYDIBKF-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO N#Cc1cccc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])c1F ZINC001245073003 1058107244 /nfs/dbraw/zinc/10/72/44/1058107244.db2.gz YHDRVGIUSJVDBL-OALUTQOASA-N 1 0 324.399 4.151 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2ccc(C3(C#N)CC3)cc2)cc1 ZINC001245338124 1058146464 /nfs/dbraw/zinc/14/64/64/1058146464.db2.gz IETUQCGGVRUJDY-UHFFFAOYSA-N 1 0 320.436 4.239 20 30 DIEDRO N#Cc1cc(C(F)(F)F)cnc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245345627 1058148517 /nfs/dbraw/zinc/14/85/17/1058148517.db2.gz ICXAHQDNPDREMR-OAHLLOKOSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1ncc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc1C(F)(F)F ZINC001245352448 1058150591 /nfs/dbraw/zinc/15/05/91/1058150591.db2.gz XOEBRPPGHCTHNH-HNNXBMFYSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1c(F)c(F)c(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c(F)c1F ZINC001245356353 1058151090 /nfs/dbraw/zinc/15/10/90/1058151090.db2.gz MPGPCKSFMPPWMO-LBPRGKRZSA-N 1 0 320.289 4.206 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3ccc(C#N)cc3)c(C)c2)CC1 ZINC001245495269 1058184343 /nfs/dbraw/zinc/18/43/43/1058184343.db2.gz HYLPOMMAXHAVSJ-UHFFFAOYSA-N 1 0 303.409 4.038 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(N)c(OC)c2)cc1 ZINC001245505976 1058189541 /nfs/dbraw/zinc/18/95/41/1058189541.db2.gz PJHDQAALPJZVOK-LJQANCHMSA-N 1 0 308.425 4.267 20 30 DIEDRO CCCCCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001545471530 1058204286 /nfs/dbraw/zinc/20/42/86/1058204286.db2.gz HCVCAUPSXQRBEU-GUDVDZBRSA-N 1 0 322.537 4.364 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(N)c(Cl)c2)cc1 ZINC001245568781 1058233636 /nfs/dbraw/zinc/23/36/36/1058233636.db2.gz ZLVFFSCFNIJDFO-QGZVFWFLSA-N 1 0 313.832 4.307 20 30 DIEDRO Cc1ccc(C#N)c(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cn2)c1 ZINC001245601758 1058277491 /nfs/dbraw/zinc/27/74/91/1058277491.db2.gz YKXHPKMWKVMGDE-INIZCTEOSA-N 1 0 305.425 4.303 20 30 DIEDRO Cc1ccc(C#N)c(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)c1 ZINC001245606339 1058282817 /nfs/dbraw/zinc/28/28/17/1058282817.db2.gz XZHMJIUOCQRMKD-UHFFFAOYSA-N 1 0 312.363 4.408 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001528766869 1058512165 /nfs/dbraw/zinc/51/21/65/1058512165.db2.gz YDHHCSRCCQOWQU-ZWKOTPCHSA-N 1 0 310.526 4.314 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2nccc(-c3ccccc3)c2C#N)cc1 ZINC001245908843 1058613360 /nfs/dbraw/zinc/61/33/60/1058613360.db2.gz ZXKXETYZVAKCMT-UHFFFAOYSA-N 1 0 313.404 4.481 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2nc(-c3ccccc3)ccc2C#N)cc1 ZINC001245908636 1058613502 /nfs/dbraw/zinc/61/35/02/1058613502.db2.gz RCCBIHYDXQZVMJ-UHFFFAOYSA-N 1 0 313.404 4.481 20 30 DIEDRO CCCCCCCCc1ccc(NCC2(O)CC[NH2+]CC2)cc1 ZINC001245961685 1058649829 /nfs/dbraw/zinc/64/98/29/1058649829.db2.gz KAIWYMSGGYWDGY-UHFFFAOYSA-N 1 0 318.505 4.116 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(N)c1 ZINC001245981860 1058652701 /nfs/dbraw/zinc/65/27/01/1058652701.db2.gz RCGLDPVHIPZXSX-LJQANCHMSA-N 1 0 306.494 4.250 20 30 DIEDRO C=CCCCCCC[C@@H](O)CNc1ccc(C2([NH3+])CCC2)cc1 ZINC001245965125 1058653685 /nfs/dbraw/zinc/65/36/85/1058653685.db2.gz DNLLBYKYYWTYPP-LJQANCHMSA-N 1 0 316.489 4.324 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCNc2ccccc21 ZINC001246002276 1058655778 /nfs/dbraw/zinc/65/57/78/1058655778.db2.gz NZDGKROFHIXYBI-APWZRJJASA-N 1 0 304.478 4.244 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246135105 1058692705 /nfs/dbraw/zinc/69/27/05/1058692705.db2.gz QPQAHCFTLOPJIJ-QBUWPKIASA-N 1 0 310.526 4.015 20 30 DIEDRO CCCCCCCCCCC[C@H](CC)[NH2+]C[C@@H](N)COC ZINC001246241451 1058763917 /nfs/dbraw/zinc/76/39/17/1058763917.db2.gz RWBMYALXMNYFFP-MSOLQXFVSA-N 1 0 300.531 4.249 20 30 DIEDRO CCCCCCC[C@H](C)N[C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246196378 1058737927 /nfs/dbraw/zinc/73/79/27/1058737927.db2.gz WKQGXKAHDFPCLV-ZFWWWQNUSA-N 1 0 308.432 4.256 20 30 DIEDRO CCCCCCCCCN1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001278436178 1058744325 /nfs/dbraw/zinc/74/43/25/1058744325.db2.gz AJEWQRGYJAYTLX-BGYRXZFFSA-N 1 0 322.537 4.065 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC001557510304 1058760904 /nfs/dbraw/zinc/76/09/04/1058760904.db2.gz RYDBVOPGLDNIFV-ROUUACIJSA-N 1 0 310.526 4.221 20 30 DIEDRO CCCCCCCCCCCC[C@H](C)[NH2+]C[C@H](N)COC ZINC001246242172 1058766345 /nfs/dbraw/zinc/76/63/45/1058766345.db2.gz XOAPRRNRGOXMQJ-ROUUACIJSA-N 1 0 300.531 4.249 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)NC1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316678 1058830907 /nfs/dbraw/zinc/83/09/07/1058830907.db2.gz JFYGCZGAEJXLDM-ULQDDVLXSA-N 1 0 316.489 4.211 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246337348 1058846969 /nfs/dbraw/zinc/84/69/69/1058846969.db2.gz RWIVZPUMSLIBBQ-QFBILLFUSA-N 1 0 316.395 4.214 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001558349535 1058860091 /nfs/dbraw/zinc/86/00/91/1058860091.db2.gz SBNYAOHSFJCIFT-GBESFXJTSA-N 1 0 322.537 4.458 20 30 DIEDRO N#Cc1cccc(Nc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC001559052889 1058950850 /nfs/dbraw/zinc/95/08/50/1058950850.db2.gz JGYIKHKPZITIOH-UHFFFAOYSA-N 1 0 322.368 4.200 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNc1cc(C)ccc1[N+](=O)[O-])C(C)C ZINC001559064566 1058961932 /nfs/dbraw/zinc/96/19/32/1058961932.db2.gz TZQUFGDYUMBMRA-GOSISDBHSA-N 1 0 317.433 4.014 20 30 DIEDRO CCCCCCC[C@H](C)N[C@H]([C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC001246484974 1058961998 /nfs/dbraw/zinc/96/19/98/1058961998.db2.gz GBZHNSKOFAGRPM-RRFJBIMHSA-N 1 0 308.432 4.256 20 30 DIEDRO C[NH+](C)[C@H](CNc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC001559123728 1059010720 /nfs/dbraw/zinc/01/07/20/1059010720.db2.gz MJBGDGFXMAFALX-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO CC(C)(CC[NH+]1CCCCCC1)Nc1cccc(F)c1C#N ZINC001559169372 1059052871 /nfs/dbraw/zinc/05/28/71/1059052871.db2.gz MPOOCUSKYIBOEB-UHFFFAOYSA-N 1 0 303.425 4.154 20 30 DIEDRO CC(C)[C@@H]1C[C@H](N(CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769145 1059075519 /nfs/dbraw/zinc/07/55/19/1059075519.db2.gz IMKDGJWBGYIOAR-MOPGFXCFSA-N 1 0 305.510 4.092 20 30 DIEDRO CCCCCCCCCCCC[N@H+](C)C1C[C@@H]2COC[C@H](C1)N2 ZINC001246860207 1059136506 /nfs/dbraw/zinc/13/65/06/1059136506.db2.gz QLHPUOUJCFQZQV-YOFSQIOKSA-N 1 0 324.553 4.359 20 30 DIEDRO CCCCCCCCCCC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC001530893368 1059178138 /nfs/dbraw/zinc/17/81/38/1059178138.db2.gz XRUNSTYHUDQKMT-SQNIBIBYSA-N 1 0 310.526 4.457 20 30 DIEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCSc2cccc(C#N)c2Cl)C1 ZINC001559469980 1059248574 /nfs/dbraw/zinc/24/85/74/1059248574.db2.gz GHAXPJWQUVMJRQ-BETUJISGSA-N 1 0 308.878 4.282 20 30 DIEDRO C=CCCCCCc1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC001247026399 1059253414 /nfs/dbraw/zinc/25/34/14/1059253414.db2.gz MVMVSMSYMHSAER-UHFFFAOYSA-N 1 0 315.436 4.389 20 30 DIEDRO C=CCCCCCc1nc2cccc(F)c2n1C1CC[NH2+]CC1 ZINC001247028189 1059253882 /nfs/dbraw/zinc/25/38/82/1059253882.db2.gz VAGVAVSRLPNZLY-UHFFFAOYSA-N 1 0 315.436 4.389 20 30 DIEDRO N#CCc1ccc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC001559486281 1059259288 /nfs/dbraw/zinc/25/92/88/1059259288.db2.gz LQCMIYHCRJQPEN-UHFFFAOYSA-N 1 0 322.427 4.346 20 30 DIEDRO C=CC[N@@H+](CCc1ccc(F)c(F)c1)Cc1ccccc1F ZINC001559495495 1059275616 /nfs/dbraw/zinc/27/56/16/1059275616.db2.gz IDVSOLKLIQCQQN-UHFFFAOYSA-N 1 0 305.343 4.335 20 30 DIEDRO C#CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)[C@@H]1CCc2ccccc21 ZINC001559499592 1059284112 /nfs/dbraw/zinc/28/41/12/1059284112.db2.gz YICBTXGCEBGCJJ-HTAPYJJXSA-N 1 0 319.448 4.421 20 30 DIEDRO C#CC[N@@H+](C[C@@H](OC)C1CCCCC1)[C@@H]1CCc2ccccc21 ZINC001559499207 1059284465 /nfs/dbraw/zinc/28/44/65/1059284465.db2.gz LTWFDHGXPKSIFM-NHCUHLMSSA-N 1 0 311.469 4.204 20 30 DIEDRO C#CC[N@@H+](C[C@@H](OC)C1CCCCC1)[C@H]1CCc2ccccc21 ZINC001559499206 1059284968 /nfs/dbraw/zinc/28/49/68/1059284968.db2.gz LTWFDHGXPKSIFM-LEWJYISDSA-N 1 0 311.469 4.204 20 30 DIEDRO CCOc1ccc2c(c1)C[N@@H+](Cc1c(C)cc(C#N)cc1C)CC2 ZINC001559502987 1059289987 /nfs/dbraw/zinc/28/99/87/1059289987.db2.gz TXCJJFFYNOUHEE-UHFFFAOYSA-N 1 0 320.436 4.132 20 30 DIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC(F)(F)C1 ZINC001559505920 1059295815 /nfs/dbraw/zinc/29/58/15/1059295815.db2.gz RARCFGMAXBKNQV-QGZVFWFLSA-N 1 0 306.400 4.452 20 30 DIEDRO C=CC[N@@H+](CCCc1cccc(C)c1)Cc1cccc(C#N)c1 ZINC001559508115 1059300752 /nfs/dbraw/zinc/30/07/52/1059300752.db2.gz JIFIPKNODBDJSK-UHFFFAOYSA-N 1 0 304.437 4.488 20 30 DIEDRO CCCCCCCCNC(=S)Nc1ccccc1C[NH+](C)C ZINC001247167067 1059323763 /nfs/dbraw/zinc/32/37/63/1059323763.db2.gz NJTBKJWPNBHDEM-UHFFFAOYSA-N 1 0 321.534 4.395 20 30 DIEDRO C=CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)CC1CCCCC1 ZINC001559537833 1059338693 /nfs/dbraw/zinc/33/86/93/1059338693.db2.gz HCMLGGPXAVGWKA-UHFFFAOYSA-N 1 0 324.509 4.312 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC001559547117 1059356128 /nfs/dbraw/zinc/35/61/28/1059356128.db2.gz NZCQTQHLWDHYNS-UHFFFAOYSA-N 1 0 308.400 4.213 20 30 DIEDRO C=CCCCCC[N@@H+](C)CCC(=O)Nc1ccc(C)c(F)c1 ZINC001559555752 1059368852 /nfs/dbraw/zinc/36/88/52/1059368852.db2.gz IVMMJDQXLHKXCC-UHFFFAOYSA-N 1 0 306.425 4.141 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001559566770 1059389731 /nfs/dbraw/zinc/38/97/31/1059389731.db2.gz NFRHULACKOQOOM-YWZLYKJASA-N 1 0 311.375 4.399 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC001559635046 1059460863 /nfs/dbraw/zinc/46/08/63/1059460863.db2.gz IUEXRXLHRBSFHL-QGZVFWFLSA-N 1 0 309.400 4.037 20 30 DIEDRO C#CCCCCCC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC001559646261 1059471546 /nfs/dbraw/zinc/47/15/46/1059471546.db2.gz GQCHJJYNWZELDH-UHFFFAOYSA-N 1 0 313.485 4.377 20 30 DIEDRO C#CCCCCCC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001559654923 1059485483 /nfs/dbraw/zinc/48/54/83/1059485483.db2.gz PTEFWWDPLHQEBR-UXHICEINSA-N 1 0 312.501 4.165 20 30 DIEDRO C#CCCCCCC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001559670888 1059496826 /nfs/dbraw/zinc/49/68/26/1059496826.db2.gz WJMPHISHWKACKF-MRXNPFEDSA-N 1 0 305.849 4.377 20 30 DIEDRO CC#CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC001559673987 1059497881 /nfs/dbraw/zinc/49/78/81/1059497881.db2.gz ANQPICNWEUEKGU-LEWJYISDSA-N 1 0 305.421 4.249 20 30 DIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccn2)cc1 ZINC001559678911 1059506515 /nfs/dbraw/zinc/50/65/15/1059506515.db2.gz FKVQMNZFEHXIQD-AWEZNQCLSA-N 1 0 311.454 4.305 20 30 DIEDRO Cc1cccc(C2=CC[N@H+](CCOc3ccccc3C#N)CC2)c1 ZINC001559680130 1059506971 /nfs/dbraw/zinc/50/69/71/1059506971.db2.gz VJHOWWSLDKIDHB-UHFFFAOYSA-N 1 0 318.420 4.035 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(F)cc1OC(F)F ZINC001559687495 1059517193 /nfs/dbraw/zinc/51/71/93/1059517193.db2.gz MXAVWMCUICNLQT-SNVBAGLBSA-N 1 0 300.324 4.018 20 30 DIEDRO C=CCC(C)(C)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247529794 1059518460 /nfs/dbraw/zinc/51/84/60/1059518460.db2.gz ZTCQLKHWJKOPJF-NTEUORMPSA-N 1 0 324.428 4.052 20 30 DIEDRO CCCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001559691939 1059520234 /nfs/dbraw/zinc/52/02/34/1059520234.db2.gz VWFNVALEEJEMMP-CVEARBPZSA-N 1 0 312.498 4.287 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)c1 ZINC001559692278 1059520640 /nfs/dbraw/zinc/52/06/40/1059520640.db2.gz DGDOWDUIDIPWDT-OAHLLOKOSA-N 1 0 313.828 4.441 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(=O)OC)c1ccccc1 ZINC001559695890 1059527747 /nfs/dbraw/zinc/52/77/47/1059527747.db2.gz KEJFQGAKMQZQLH-OTWHNJEPSA-N 1 0 315.457 4.263 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC001559704023 1059533607 /nfs/dbraw/zinc/53/36/07/1059533607.db2.gz BGRAAMPSZMJMQE-IBGZPJMESA-N 1 0 306.409 4.068 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC001559723594 1059556498 /nfs/dbraw/zinc/55/64/98/1059556498.db2.gz VSUGVKXVUPFCLS-FQEVSTJZSA-N 1 0 306.409 4.164 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001559759895 1059596095 /nfs/dbraw/zinc/59/60/95/1059596095.db2.gz FZWCZYPKNXHZKP-CYBMUJFWSA-N 1 0 304.743 4.278 20 30 DIEDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001559761445 1059596960 /nfs/dbraw/zinc/59/69/60/1059596960.db2.gz BFLAUWFXGCNFFM-MSOLQXFVSA-N 1 0 302.487 4.329 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(F)c(F)c1 ZINC001559767314 1059603639 /nfs/dbraw/zinc/60/36/39/1059603639.db2.gz XMGGOGOYQJUPES-GXCBOPRBSA-N 1 0 313.338 4.463 20 30 DIEDRO C=C(C)[C@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC001559767116 1059604691 /nfs/dbraw/zinc/60/46/91/1059604691.db2.gz STEQCBZDVBWBOS-CLCXKQKWSA-N 1 0 322.443 4.150 20 30 DIEDRO C#CCCCCCC[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC001559771799 1059607643 /nfs/dbraw/zinc/60/76/43/1059607643.db2.gz HFBQGVUBLMMIJZ-QGZVFWFLSA-N 1 0 304.503 4.010 20 30 DIEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001559773181 1059609408 /nfs/dbraw/zinc/60/94/08/1059609408.db2.gz LDWLIUOQUWYXNU-HKUYNNGSSA-N 1 0 300.446 4.276 20 30 DIEDRO CCCCCCCCC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001532399975 1059619186 /nfs/dbraw/zinc/61/91/86/1059619186.db2.gz MJWJPNKJHCVMCC-GOSISDBHSA-N 1 0 308.510 4.260 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCCC1(C)C ZINC001559796929 1059632758 /nfs/dbraw/zinc/63/27/58/1059632758.db2.gz BFQNNJUHUNCBSG-IBGZPJMESA-N 1 0 309.457 4.439 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@@H](C)[C@@H]1OC ZINC001559811014 1059646956 /nfs/dbraw/zinc/64/69/56/1059646956.db2.gz BRIPWDFODXFEGL-JLZZUVOBSA-N 1 0 320.864 4.141 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC001559819577 1059652168 /nfs/dbraw/zinc/65/21/68/1059652168.db2.gz AEUGLEZGANSDSS-UHFFFAOYSA-N 1 0 303.327 4.341 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC001559816538 1059652353 /nfs/dbraw/zinc/65/23/53/1059652353.db2.gz INSPHHXJKOMMHN-VSKRKVRLSA-N 1 0 316.448 4.369 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC001559831191 1059664591 /nfs/dbraw/zinc/66/45/91/1059664591.db2.gz NNMCEMIZEGYYAQ-AQNXPRMDSA-N 1 0 301.474 4.461 20 30 DIEDRO C=C(C)CC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001559860369 1059680897 /nfs/dbraw/zinc/68/08/97/1059680897.db2.gz ZOGPSIQTKOZZSG-CZUORRHYSA-N 1 0 313.363 4.433 20 30 DIEDRO CCCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCC[C@H](C)C1 ZINC001559870597 1059690251 /nfs/dbraw/zinc/69/02/51/1059690251.db2.gz BOSJXBUOJIEMPD-OKZBNKHCSA-N 1 0 306.494 4.112 20 30 DIEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001559893122 1059709831 /nfs/dbraw/zinc/70/98/31/1059709831.db2.gz JQBPYHCGJFOSAB-SJCJKPOMSA-N 1 0 308.372 4.218 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001559898417 1059714784 /nfs/dbraw/zinc/71/47/84/1059714784.db2.gz XDINHRLDWMKDDT-HNNXBMFYSA-N 1 0 315.819 4.394 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)C1CCC1 ZINC001559900105 1059716987 /nfs/dbraw/zinc/71/69/87/1059716987.db2.gz GIJVMUYKYAZKJB-MRXNPFEDSA-N 1 0 321.262 4.379 20 30 DIEDRO CCCCCCCc1ccc(-c2noc(C[C@H](C)[NH3+])n2)cc1 ZINC001248177792 1059744277 /nfs/dbraw/zinc/74/42/77/1059744277.db2.gz WAOSBNSHVGEHFG-AWEZNQCLSA-N 1 0 301.434 4.139 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+]C2(c3cccc(F)c3)CCC2)c1 ZINC001559934685 1059747138 /nfs/dbraw/zinc/74/71/38/1059747138.db2.gz UXGICOZXMRHYKZ-UHFFFAOYSA-N 1 0 324.399 4.135 20 30 DIEDRO CCCCCCCOc1ccc(-c2noc([C@H](C)C[NH3+])n2)cc1 ZINC001248212543 1059751610 /nfs/dbraw/zinc/75/16/10/1059751610.db2.gz ULAORWUPIYUEEX-CQSZACIVSA-N 1 0 317.433 4.148 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)cc1 ZINC001559965801 1059773724 /nfs/dbraw/zinc/77/37/24/1059773724.db2.gz LGGSQESDAFZYRS-NRFANRHFSA-N 1 0 314.432 4.494 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001559983061 1059789663 /nfs/dbraw/zinc/78/96/63/1059789663.db2.gz FPXCQRXIJFNHTN-SJORKVTESA-N 1 0 322.452 4.455 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC001559993253 1059796372 /nfs/dbraw/zinc/79/63/72/1059796372.db2.gz SUQBTLUXTQXWFL-GUYCJALGSA-N 1 0 322.399 4.018 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC001559993252 1059797028 /nfs/dbraw/zinc/79/70/28/1059797028.db2.gz SUQBTLUXTQXWFL-DYVFJYSZSA-N 1 0 322.399 4.018 20 30 DIEDRO N#Cc1sccc1N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001559994714 1059800574 /nfs/dbraw/zinc/80/05/74/1059800574.db2.gz JXAFQJVMCXNXEO-UHFFFAOYSA-N 1 0 317.502 4.102 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc(C(=O)OC)c2Cl)CCCC1 ZINC001560001778 1059804356 /nfs/dbraw/zinc/80/43/56/1059804356.db2.gz PHKSMERRLWZNMH-UHFFFAOYSA-N 1 0 307.821 4.105 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc(C(=O)NCC(C)C)c2)CCCC1 ZINC001560002786 1059808534 /nfs/dbraw/zinc/80/85/34/1059808534.db2.gz YFDJWZAOOFCDRO-UHFFFAOYSA-N 1 0 314.473 4.051 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC001560004578 1059810171 /nfs/dbraw/zinc/81/01/71/1059810171.db2.gz KBFPXOAZNAJUOA-KRWDZBQOSA-N 1 0 319.452 4.016 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCCNC(=O)OC(C)(C)C ZINC001560017418 1059822213 /nfs/dbraw/zinc/82/22/13/1059822213.db2.gz JEJDITXWABAICH-CALCHBBNSA-N 1 0 322.493 4.255 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC001560015770 1059823225 /nfs/dbraw/zinc/82/32/25/1059823225.db2.gz NPIKIWVDOJARAG-INIZCTEOSA-N 1 0 320.436 4.351 20 30 DIEDRO C[C@@H]1CCC[C@@H](CC[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC001560026012 1059838290 /nfs/dbraw/zinc/83/82/90/1059838290.db2.gz VIEPMAWKCWFKCX-SJORKVTESA-N 1 0 311.473 4.349 20 30 DIEDRO N#CCc1cccc2c1CC[N@H+](CCSC1CCCCC1)C2 ZINC001560042974 1059855094 /nfs/dbraw/zinc/85/50/94/1059855094.db2.gz IHOZXTJQTPHCKS-UHFFFAOYSA-N 1 0 314.498 4.177 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC001560058046 1059873098 /nfs/dbraw/zinc/87/30/98/1059873098.db2.gz JLRQDHAYIMUVJI-OAHLLOKOSA-N 1 0 300.446 4.215 20 30 DIEDRO C[C@H](C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)CC(C)(C)C ZINC001560063109 1059876850 /nfs/dbraw/zinc/87/68/50/1059876850.db2.gz NELNEWJYICQKEZ-INIZCTEOSA-N 1 0 314.473 4.226 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001560109266 1059914091 /nfs/dbraw/zinc/91/40/91/1059914091.db2.gz XKHYCRNKUSCJOT-LJQANCHMSA-N 1 0 309.457 4.335 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC001560133454 1059933401 /nfs/dbraw/zinc/93/34/01/1059933401.db2.gz YTBNCSBLVDEBBW-JXFKEZNVSA-N 1 0 306.409 4.172 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)[C@H]1c1ccccc1 ZINC001560133411 1059936194 /nfs/dbraw/zinc/93/61/94/1059936194.db2.gz XKKLWICUCSVZNN-YWZLYKJASA-N 1 0 306.409 4.150 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC001560133457 1059937302 /nfs/dbraw/zinc/93/73/02/1059937302.db2.gz YTBNCSBLVDEBBW-UZLBHIALSA-N 1 0 306.409 4.172 20 30 DIEDRO CCCCCCC[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001560133645 1059937403 /nfs/dbraw/zinc/93/74/03/1059937403.db2.gz FUMPCHNPEAYYTO-MRXNPFEDSA-N 1 0 312.498 4.288 20 30 DIEDRO N#CC1CCC(C[N@@H+]2Cc3ccccc3OC3(CCC3)C2)CC1 ZINC001560135195 1059939018 /nfs/dbraw/zinc/93/90/18/1059939018.db2.gz FTRWPILWHRBZQU-UHFFFAOYSA-N 1 0 310.441 4.134 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+](C)CCCc1cccc(OC)c1 ZINC001248752170 1059963390 /nfs/dbraw/zinc/96/33/90/1059963390.db2.gz AIXVDCDRZOYAJY-UHFFFAOYSA-N 1 0 322.452 4.194 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC001248751248 1059964214 /nfs/dbraw/zinc/96/42/14/1059964214.db2.gz PHWKOKCDCQYKLP-HXUWFJFHSA-N 1 0 320.436 4.466 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001248751249 1059965396 /nfs/dbraw/zinc/96/53/96/1059965396.db2.gz PJHMWMSVPLCPNC-IBGZPJMESA-N 1 0 304.437 4.185 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001248752519 1059965627 /nfs/dbraw/zinc/96/56/27/1059965627.db2.gz OVRQXCPBOIHQST-FQEVSTJZSA-N 1 0 305.425 4.161 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC001248751402 1059965849 /nfs/dbraw/zinc/96/58/49/1059965849.db2.gz VXCXVEOPBFLITJ-OAQYLSRUSA-N 1 0 320.436 4.466 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001560188197 1059976640 /nfs/dbraw/zinc/97/66/40/1059976640.db2.gz JYONSFAFOWWDFN-WAEYIKQSSA-N 1 0 318.420 4.245 20 30 DIEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001560189810 1059978441 /nfs/dbraw/zinc/97/84/41/1059978441.db2.gz PFMWTJYUKMHVHJ-IBGZPJMESA-N 1 0 313.441 4.336 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001560199947 1059979926 /nfs/dbraw/zinc/97/99/26/1059979926.db2.gz IFENMHRBNFSJQP-MRXNPFEDSA-N 1 0 323.358 4.367 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC001560197531 1059982466 /nfs/dbraw/zinc/98/24/66/1059982466.db2.gz RWRDCPKGOMRPIB-UHFFFAOYSA-N 1 0 316.514 4.395 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc(SC(=O)N(C)C)cc1 ZINC001560204200 1059984173 /nfs/dbraw/zinc/98/41/73/1059984173.db2.gz BILKYTLWAYCUFM-UHFFFAOYSA-N 1 0 306.475 4.248 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001560204463 1059986648 /nfs/dbraw/zinc/98/66/48/1059986648.db2.gz MJSNHDWTOKYUSF-UHFFFAOYSA-N 1 0 303.446 4.430 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001560204339 1059986886 /nfs/dbraw/zinc/98/68/86/1059986886.db2.gz HQORVNXZTZBTJB-UHFFFAOYSA-N 1 0 312.244 4.429 20 30 DIEDRO CCOc1ccc(CC[N@H+](C)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001560210176 1059989531 /nfs/dbraw/zinc/98/95/31/1059989531.db2.gz NDMAXESMTBAGKE-UHFFFAOYSA-N 1 0 322.452 4.248 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@@H]1c1ccc(C(=O)OC)n1C ZINC001560227216 1060001195 /nfs/dbraw/zinc/00/11/95/1060001195.db2.gz JQSJHCOIAVECFG-QGZVFWFLSA-N 1 0 320.477 4.309 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2)N(CC)CC)C1 ZINC001560248734 1060011884 /nfs/dbraw/zinc/01/18/84/1060011884.db2.gz FWWZQQOJEVMXCY-YZGWKJHDSA-N 1 0 300.490 4.404 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CCc2ccc(C(C)C)cc2)cc1 ZINC001560250216 1060016124 /nfs/dbraw/zinc/01/61/24/1060016124.db2.gz HFCPVRQTAAZSHX-UHFFFAOYSA-N 1 0 307.437 4.154 20 30 DIEDRO CCCCC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001560253808 1060021063 /nfs/dbraw/zinc/02/10/63/1060021063.db2.gz GLOJWDAZZZGNHA-GFCCVEGCSA-N 1 0 309.251 4.379 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC001560271945 1060044803 /nfs/dbraw/zinc/04/48/03/1060044803.db2.gz LUHFWVCOQCQLQM-UHFFFAOYSA-N 1 0 308.425 4.254 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC001525866758 1060057895 /nfs/dbraw/zinc/05/78/95/1060057895.db2.gz SOMHEBARUDJGGB-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCC[C@@H](C)C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC001560284315 1060065110 /nfs/dbraw/zinc/06/51/10/1060065110.db2.gz NSGIMZJWCQBGBY-OAHLLOKOSA-N 1 0 318.461 4.218 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC001560305153 1060091064 /nfs/dbraw/zinc/09/10/64/1060091064.db2.gz UOZILKSBIKUCQC-LJQANCHMSA-N 1 0 309.409 4.255 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)C1 ZINC001560304699 1060092294 /nfs/dbraw/zinc/09/22/94/1060092294.db2.gz XMBNWVRRTSQGET-LSDHHAIUSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)C1 ZINC001560325586 1060112615 /nfs/dbraw/zinc/11/26/15/1060112615.db2.gz ONSKAZXRUCGLFS-KBPBESRZSA-N 1 0 313.363 4.419 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001560325123 1060112631 /nfs/dbraw/zinc/11/26/31/1060112631.db2.gz URXXVPHZOLMCAM-CQSZACIVSA-N 1 0 317.354 4.408 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(C)c2)C12CCCCC2 ZINC001560342583 1060127335 /nfs/dbraw/zinc/12/73/35/1060127335.db2.gz YZRLCJDKFXUUJV-RBUKOAKNSA-N 1 0 312.457 4.084 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)C1 ZINC001560345701 1060133253 /nfs/dbraw/zinc/13/32/53/1060133253.db2.gz YJXJPMLPGNNKTP-YPMHNXCESA-N 1 0 314.260 4.135 20 30 DIEDRO CC(C)[N@H+](Cc1cnn2ccc(C#N)cc12)[C@@H](C)c1ccccc1 ZINC001249125684 1060167013 /nfs/dbraw/zinc/16/70/13/1060167013.db2.gz ZLPNQNVHSQWKTF-INIZCTEOSA-N 1 0 318.424 4.178 20 30 DIEDRO CC(C)(C)c1ccc(-c2noc([C@H]3CCCCC[NH2+]3)n2)c(C#N)c1 ZINC001249192224 1060186535 /nfs/dbraw/zinc/18/65/35/1060186535.db2.gz ZPUAIVWZFLHKIF-MRXNPFEDSA-N 1 0 324.428 4.110 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccccc1 ZINC001560405926 1060190416 /nfs/dbraw/zinc/19/04/16/1060190416.db2.gz UXEBIJXPDBTKNK-GOSISDBHSA-N 1 0 309.388 4.271 20 30 DIEDRO CCC(CC)[C@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)OC ZINC001560406495 1060191170 /nfs/dbraw/zinc/19/11/70/1060191170.db2.gz IPJMNWPPTMFFGL-IBGZPJMESA-N 1 0 316.489 4.419 20 30 DIEDRO CC[C@H](CSc1ccccc1)[NH2+]Cc1csc(C#N)c1 ZINC001560409647 1060195308 /nfs/dbraw/zinc/19/53/08/1060195308.db2.gz USJRGEVMNAAERR-CQSZACIVSA-N 1 0 302.468 4.280 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)C1 ZINC001560416279 1060199358 /nfs/dbraw/zinc/19/93/58/1060199358.db2.gz OZGGTZKUDKEUSS-BBRMVZONSA-N 1 0 323.278 4.195 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1cn(-c2ccccc2F)nc1C ZINC001560415228 1060199906 /nfs/dbraw/zinc/19/99/06/1060199906.db2.gz ZXPVXHDBGFYFMF-AWEZNQCLSA-N 1 0 301.409 4.154 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)C[C@H]1C ZINC001560433904 1060220733 /nfs/dbraw/zinc/22/07/33/1060220733.db2.gz CUSRBFQBRHLMEL-LALPHHSUSA-N 1 0 321.262 4.235 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)cc1OC ZINC001560442347 1060230714 /nfs/dbraw/zinc/23/07/14/1060230714.db2.gz OMBSQRKHVHRFIS-MRXNPFEDSA-N 1 0 303.446 4.318 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)[nH]1 ZINC001249424026 1060245810 /nfs/dbraw/zinc/24/58/10/1060245810.db2.gz VTLQMKMWOGQJDR-UHFFFAOYSA-N 1 0 324.469 4.159 20 30 DIEDRO N#Cc1ccc2cc(C[NH+]3CCC4(CC[C@@H](F)C4)CC3)[nH]c2c1 ZINC001249429569 1060248456 /nfs/dbraw/zinc/24/84/56/1060248456.db2.gz HKZWJUVWVYHTLZ-MRXNPFEDSA-N 1 0 311.404 4.144 20 30 DIEDRO C=CC[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccc1 ZINC001249429484 1060248489 /nfs/dbraw/zinc/24/84/89/1060248489.db2.gz DBMONLJZQAIERX-UHFFFAOYSA-N 1 0 301.393 4.228 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)[nH]c2c1 ZINC001249428869 1060249078 /nfs/dbraw/zinc/24/90/78/1060249078.db2.gz FHALGABNNZZODW-IBGZPJMESA-N 1 0 315.420 4.419 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC2(C)CC2)cc1OC ZINC001560461632 1060252471 /nfs/dbraw/zinc/25/24/71/1060252471.db2.gz UEJBTFDAYWAYRS-UHFFFAOYSA-N 1 0 309.837 4.193 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C1CCCC1 ZINC001560471541 1060260653 /nfs/dbraw/zinc/26/06/53/1060260653.db2.gz RKBCRLJWIPDIKI-IBGZPJMESA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+]Cc1c(Cl)cccc1SC(C)C ZINC001560471512 1060260941 /nfs/dbraw/zinc/26/09/41/1060260941.db2.gz QTMVUHQACSAOPJ-ZDUSSCGKSA-N 1 0 313.894 4.257 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)cc1OC ZINC001560474583 1060263457 /nfs/dbraw/zinc/26/34/57/1060263457.db2.gz VAGAPZJHCGZSQM-GJZGRUSLSA-N 1 0 323.864 4.295 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)cc1 ZINC001560477562 1060265762 /nfs/dbraw/zinc/26/57/62/1060265762.db2.gz PRDLAYSYTZHWGD-UHFFFAOYSA-N 1 0 307.437 4.286 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001560479888 1060271158 /nfs/dbraw/zinc/27/11/58/1060271158.db2.gz GNVZDYLZTCQWRU-UHFFFAOYSA-N 1 0 306.409 4.193 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)c(F)c1 ZINC001560485086 1060278046 /nfs/dbraw/zinc/27/80/46/1060278046.db2.gz IVDJKJYCFHBLAT-HKUYNNGSSA-N 1 0 308.400 4.371 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC001560487213 1060280569 /nfs/dbraw/zinc/28/05/69/1060280569.db2.gz BNGKLUXJFFACNO-XUJVJEKNSA-N 1 0 314.256 4.361 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc([Si](C)(C)C)cc1 ZINC001560492514 1060287733 /nfs/dbraw/zinc/28/77/33/1060287733.db2.gz YMTMZNVARFCLEG-UHFFFAOYSA-N 1 0 322.528 4.010 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)C2=CCCC2)cc1 ZINC001560495084 1060290161 /nfs/dbraw/zinc/29/01/61/1060290161.db2.gz JRGFTUYIMPQEKM-UHFFFAOYSA-N 1 0 311.473 4.263 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cccc(Cl)c1Br ZINC001560500570 1060296742 /nfs/dbraw/zinc/29/67/42/1060296742.db2.gz VKNMXYGJPVJGGV-UHFFFAOYSA-N 1 0 315.642 4.132 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)c1 ZINC001560503196 1060298578 /nfs/dbraw/zinc/29/85/78/1060298578.db2.gz FHZGGYGQOPZZEN-UHFFFAOYSA-N 1 0 305.421 4.279 20 30 DIEDRO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001560503696 1060298834 /nfs/dbraw/zinc/29/88/34/1060298834.db2.gz AIRYJZHOBWBCIE-YLJYHZDGSA-N 1 0 319.452 4.332 20 30 DIEDRO C=C(CC)C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC001560503871 1060299808 /nfs/dbraw/zinc/29/98/08/1060299808.db2.gz XRXLOWCDZIQQPK-UHFFFAOYSA-N 1 0 317.864 4.257 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OCC)cc1Cl ZINC001560503367 1060300215 /nfs/dbraw/zinc/30/02/15/1060300215.db2.gz KSIKYZPZSOXQSR-SJLPKXTDSA-N 1 0 323.864 4.342 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1 ZINC001560509766 1060306627 /nfs/dbraw/zinc/30/66/27/1060306627.db2.gz QYVXQZZMDULGFW-IZAXUBKRSA-N 1 0 305.462 4.039 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C/C=C\c3ccc(F)cc3)CCC2)cc1 ZINC001560516628 1060315337 /nfs/dbraw/zinc/31/53/37/1060315337.db2.gz LJPGIJKPMKQNDD-IWQZZHSRSA-N 1 0 306.384 4.380 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC001560520221 1060319944 /nfs/dbraw/zinc/31/99/44/1060319944.db2.gz KODYZHKFVIQUAN-AWEZNQCLSA-N 1 0 311.256 4.239 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc(OC)c2ccccc12 ZINC001560525979 1060325351 /nfs/dbraw/zinc/32/53/51/1060325351.db2.gz WTUHXCGCPLKHOE-UHFFFAOYSA-N 1 0 301.455 4.247 20 30 DIEDRO CCCCCCCNC(=S)Nc1ccccc1C[NH+](C)C ZINC001249643266 1060327536 /nfs/dbraw/zinc/32/75/36/1060327536.db2.gz UKAZKBPLSHLTPA-UHFFFAOYSA-N 1 0 307.507 4.005 20 30 DIEDRO CC(C)([NH2+]C/C=C\c1ccc(F)cc1F)c1cccc(C#N)c1 ZINC001560530118 1060331153 /nfs/dbraw/zinc/33/11/53/1060331153.db2.gz BLOMYISHBWINNT-XQRVVYSFSA-N 1 0 312.363 4.375 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC001560530958 1060332749 /nfs/dbraw/zinc/33/27/49/1060332749.db2.gz RPGZYPSLWMJUTD-RHSMWYFYSA-N 1 0 321.436 4.458 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001560531066 1060332868 /nfs/dbraw/zinc/33/28/68/1060332868.db2.gz TWMJGWWHIKBYHQ-QZTJIDSGSA-N 1 0 315.457 4.463 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC001560543133 1060348349 /nfs/dbraw/zinc/34/83/49/1060348349.db2.gz FRJPHEHHUYXDND-UHFFFAOYSA-N 1 0 319.342 4.459 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1cccc(C#N)c1F ZINC001249688085 1060350546 /nfs/dbraw/zinc/35/05/46/1060350546.db2.gz YPLNFUHAFKHHIX-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001534765240 1060363586 /nfs/dbraw/zinc/36/35/86/1060363586.db2.gz HVFLXZVGILMYLO-IPMKNSEASA-N 1 0 322.537 4.316 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(C#N)ccc1Br ZINC001560554684 1060364449 /nfs/dbraw/zinc/36/44/49/1060364449.db2.gz IJNQGZWZUBSZTP-UHFFFAOYSA-N 1 0 321.262 4.403 20 30 DIEDRO N#Cc1ccc(Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC001249712553 1060365922 /nfs/dbraw/zinc/36/59/22/1060365922.db2.gz BJGGJPPYYBMECC-UHFFFAOYSA-N 1 0 305.425 4.330 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@]12C[C@H]1CCCC2 ZINC001560557169 1060367222 /nfs/dbraw/zinc/36/72/22/1060367222.db2.gz GEABYNVBQWRTBF-HQRMLTQVSA-N 1 0 312.457 4.428 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1(CC2CC2)CC1 ZINC001560572850 1060383688 /nfs/dbraw/zinc/38/36/88/1060383688.db2.gz FNWSALWVIWUTHQ-UHFFFAOYSA-N 1 0 303.833 4.022 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001560579082 1060393725 /nfs/dbraw/zinc/39/37/25/1060393725.db2.gz WMNBODDBKJVYIH-HKUYNNGSSA-N 1 0 300.490 4.089 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC001560582334 1060397384 /nfs/dbraw/zinc/39/73/84/1060397384.db2.gz BZGSCJYNRXKILA-UHFFFAOYSA-N 1 0 315.457 4.478 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccccc2OCC(C)C)cc1C#N ZINC001560585580 1060398008 /nfs/dbraw/zinc/39/80/08/1060398008.db2.gz BGYXOGYKWJCVIN-UHFFFAOYSA-N 1 0 308.425 4.191 20 30 DIEDRO CNc1ccc(C)cc1C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC001560597174 1060410079 /nfs/dbraw/zinc/41/00/79/1060410079.db2.gz FPZDACLCRKDNHB-UHFFFAOYSA-N 1 0 307.441 4.019 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC001560602046 1060415548 /nfs/dbraw/zinc/41/55/48/1060415548.db2.gz YPHCSIMYUFFLNB-AWEZNQCLSA-N 1 0 303.833 4.164 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001560629172 1060441826 /nfs/dbraw/zinc/44/18/26/1060441826.db2.gz GYUWUDLKBGIJFT-UHFFFAOYSA-N 1 0 323.436 4.369 20 30 DIEDRO Cc1cccc([C@H]2CCCC[N@@H+]2Cc2cccc(C#N)n2)c1C ZINC001560634028 1060448456 /nfs/dbraw/zinc/44/84/56/1060448456.db2.gz LWUBTTVNAKLNGJ-HXUWFJFHSA-N 1 0 305.425 4.297 20 30 DIEDRO C#CCCCCCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001560714103 1060571258 /nfs/dbraw/zinc/57/12/58/1060571258.db2.gz WJIWNZZVENHACO-UHFFFAOYSA-N 1 0 318.892 4.041 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(C(=O)OC)c(C)c1 ZINC001560725895 1060590739 /nfs/dbraw/zinc/59/07/39/1060590739.db2.gz VSAVFXFQWKEOFB-UHFFFAOYSA-N 1 0 315.438 4.031 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1nc2cc(OC)ccc2n1C ZINC001560774590 1060636375 /nfs/dbraw/zinc/63/63/75/1060636375.db2.gz NAGDZLBSYXBWAA-HNNXBMFYSA-N 1 0 315.461 4.197 20 30 DIEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cnc(CCc2ccccc2)s1 ZINC001560794923 1060655599 /nfs/dbraw/zinc/65/55/99/1060655599.db2.gz INDDPGRZIISCIK-KRWDZBQOSA-N 1 0 312.482 4.469 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)ccc1C#N ZINC001560812857 1060672060 /nfs/dbraw/zinc/67/20/60/1060672060.db2.gz GPQDDNKWFTYEJG-FPOVZHCZSA-N 1 0 320.436 4.167 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001560849090 1060706166 /nfs/dbraw/zinc/70/61/66/1060706166.db2.gz PFFFQWMMQRLXJB-BBRMVZONSA-N 1 0 308.878 4.446 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](C#C)c1ccc(Br)cc1 ZINC001560854398 1060712301 /nfs/dbraw/zinc/71/23/01/1060712301.db2.gz FXHUDMPZXIQOFV-KRWDZBQOSA-N 1 0 318.258 4.297 20 30 DIEDRO Cc1cc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)ccc1C#N ZINC001560863726 1060722877 /nfs/dbraw/zinc/72/28/77/1060722877.db2.gz ARUDJKCVASERMH-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO C#C[C@@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1 ZINC001560865264 1060725514 /nfs/dbraw/zinc/72/55/14/1060725514.db2.gz VGAHDQUNVDZZAW-CRAIPNDOSA-N 1 0 320.823 4.253 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC001560870801 1060729688 /nfs/dbraw/zinc/72/96/88/1060729688.db2.gz QBRKQBKKVOOGIN-RTWAWAEBSA-N 1 0 319.448 4.346 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC001560891128 1060752667 /nfs/dbraw/zinc/75/26/67/1060752667.db2.gz ZGOOXYNDIUKCKK-XJKSGUPXSA-N 1 0 322.374 4.414 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001560893736 1060755916 /nfs/dbraw/zinc/75/59/16/1060755916.db2.gz VWNVBUMMLWWOHS-BZUAXINKSA-N 1 0 310.482 4.109 20 30 DIEDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1CC#Cc1ccccc1 ZINC001560901381 1060765914 /nfs/dbraw/zinc/76/59/14/1060765914.db2.gz RGWOEKMIFHVYJG-NRFANRHFSA-N 1 0 307.412 4.274 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC001560903361 1060766737 /nfs/dbraw/zinc/76/67/37/1060766737.db2.gz UDQIPSLDWHVZFZ-JYJNAYRXSA-N 1 0 312.498 4.403 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001560906117 1060767799 /nfs/dbraw/zinc/76/77/99/1060767799.db2.gz CGTPVZOFQHCKOX-XUWVNRHRSA-N 1 0 309.494 4.323 20 30 DIEDRO N#Cc1cc(-c2ccccc2)oc1Nc1ccc2c[nH+]cn2c1 ZINC001250327210 1060780541 /nfs/dbraw/zinc/78/05/41/1060780541.db2.gz KYIFHBYHKUKENV-UHFFFAOYSA-N 1 0 300.321 4.210 20 30 DIEDRO CC1(C)CCCC[C@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001560958132 1060823843 /nfs/dbraw/zinc/82/38/43/1060823843.db2.gz NFZMHXCQXJVQOG-LJQANCHMSA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1c2ccccc2[nH]c1C(=O)OC ZINC001560963870 1060829580 /nfs/dbraw/zinc/82/95/80/1060829580.db2.gz XFSFBOMFTUIGMM-UHFFFAOYSA-N 1 0 314.429 4.037 20 30 DIEDRO C#CC1([NH2+]C[C@@H](C)c2cccc(Br)c2)CCCC1 ZINC001560984096 1060847632 /nfs/dbraw/zinc/84/76/32/1060847632.db2.gz PUVDPZUIPYJGEX-CYBMUJFWSA-N 1 0 306.247 4.088 20 30 DIEDRO C#CC1([NH2+]C[C@H](C)c2cccc(Br)c2)CCCC1 ZINC001560984097 1060848218 /nfs/dbraw/zinc/84/82/18/1060848218.db2.gz PUVDPZUIPYJGEX-ZDUSSCGKSA-N 1 0 306.247 4.088 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC001560997157 1060855321 /nfs/dbraw/zinc/85/53/21/1060855321.db2.gz MHGJOYYVHKEIIL-MRXNPFEDSA-N 1 0 310.363 4.262 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001561001135 1060860674 /nfs/dbraw/zinc/86/06/74/1060860674.db2.gz LZRBUMJSFHJOGW-AWEZNQCLSA-N 1 0 320.864 4.393 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(OC)c1OCC1CC1)C(C)(C)C ZINC001250527296 1060872529 /nfs/dbraw/zinc/87/25/29/1060872529.db2.gz GRVIMBVUNDNEHN-UHFFFAOYSA-N 1 0 303.446 4.271 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(C)CCC2(CC1)OCCO2 ZINC001561033424 1060886409 /nfs/dbraw/zinc/88/64/09/1060886409.db2.gz NMETUUMMQIBFRP-QGZVFWFLSA-N 1 0 309.494 4.424 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC001561037395 1060890338 /nfs/dbraw/zinc/89/03/38/1060890338.db2.gz GYWRYBVLKPGFTK-UHFFFAOYSA-N 1 0 315.383 4.026 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC)CC1 ZINC001462122941 1060943275 /nfs/dbraw/zinc/94/32/75/1060943275.db2.gz XAVQMQAYXWHNBE-CVEARBPZSA-N 1 0 312.498 4.192 20 30 DIEDRO CC[N@H+](CCCCC1(C#N)CCC1)C[C@H](O)c1ccc(C)cc1 ZINC001473194889 1060952683 /nfs/dbraw/zinc/95/26/83/1060952683.db2.gz NABKKLIJPBSJCJ-IBGZPJMESA-N 1 0 314.473 4.215 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc2cnccc2o1 ZINC001462146266 1060967305 /nfs/dbraw/zinc/96/73/05/1060967305.db2.gz QTXFNZNFHFWOCG-NSHDSACASA-N 1 0 311.772 4.204 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001462154145 1060973149 /nfs/dbraw/zinc/97/31/49/1060973149.db2.gz RGBAGWKTZFSHDQ-QUCCMNQESA-N 1 0 324.468 4.314 20 30 DIEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473215646 1060985223 /nfs/dbraw/zinc/98/52/23/1060985223.db2.gz KXWYPAHOFPBCHK-YJBOKZPZSA-N 1 0 308.400 4.150 20 30 DIEDRO CCCCCCC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC001473251263 1061027568 /nfs/dbraw/zinc/02/75/68/1061027568.db2.gz UWNQYLPRGGIISS-UHFFFAOYSA-N 1 0 320.452 4.447 20 30 DIEDRO C#C[C@H](CC)[NH2+]Cc1ccccc1Sc1cccc(OC)c1 ZINC001462215004 1061031637 /nfs/dbraw/zinc/03/16/37/1061031637.db2.gz ATEGAXHZICXYOO-MRXNPFEDSA-N 1 0 311.450 4.348 20 30 DIEDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001473253037 1061031897 /nfs/dbraw/zinc/03/18/97/1061031897.db2.gz AZTNAEQGAIHNBT-GOSISDBHSA-N 1 0 300.446 4.380 20 30 DIEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1Sc1cccc(OC)c1 ZINC001462215000 1061033202 /nfs/dbraw/zinc/03/32/02/1061033202.db2.gz ATEGAXHZICXYOO-INIZCTEOSA-N 1 0 311.450 4.348 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1)C(C)C ZINC001462212990 1061033235 /nfs/dbraw/zinc/03/32/35/1061033235.db2.gz VPYWWZNKUGZACR-HXUWFJFHSA-N 1 0 309.409 4.235 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC001473259692 1061033239 /nfs/dbraw/zinc/03/32/39/1061033239.db2.gz LKGYICDZEGTEHV-HZPDHXFCSA-N 1 0 306.475 4.035 20 30 DIEDRO CCCCCCCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001462241604 1061049034 /nfs/dbraw/zinc/04/90/34/1061049034.db2.gz GOUUMRLXNHTWSN-SFHVURJKSA-N 1 0 308.510 4.260 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)cc1F ZINC001462273603 1061067286 /nfs/dbraw/zinc/06/72/86/1061067286.db2.gz IPOVBXDLUPPTMY-RBUKOAKNSA-N 1 0 308.400 4.371 20 30 DIEDRO C#C[C@@H]([NH2+]C1CC(c2cccc(OC)c2)C1)c1ccc(F)cc1 ZINC001462276451 1061068718 /nfs/dbraw/zinc/06/87/18/1061068718.db2.gz JRSSBVNPRRDGRT-OUNSHVDWSA-N 1 0 309.384 4.044 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1C[C@H](OCC)C12CCCCC2)c1ccc(F)cc1 ZINC001462282406 1061075754 /nfs/dbraw/zinc/07/57/54/1061075754.db2.gz XHACNZWHBLCVRA-FHWLQOOXSA-N 1 0 315.432 4.218 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOc2ccc(Cl)c(Cl)c2)C1 ZINC001462285258 1061078716 /nfs/dbraw/zinc/07/87/16/1061078716.db2.gz UMYNWTYJRWHOMY-NWDGAFQWSA-N 1 0 313.228 4.044 20 30 DIEDRO CC(C)CC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC001473314471 1061080022 /nfs/dbraw/zinc/08/00/22/1061080022.db2.gz WIVRDCDRLMKVCF-QGZVFWFLSA-N 1 0 317.433 4.407 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)s1 ZINC001473316040 1061080361 /nfs/dbraw/zinc/08/03/61/1061080361.db2.gz RKVDMHSUKJWSSN-MRXNPFEDSA-N 1 0 304.365 4.139 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)CCC)c1ccc(C(F)(F)F)cc1 ZINC001473316827 1061081231 /nfs/dbraw/zinc/08/12/31/1061081231.db2.gz AYHKYKVMLCIJAN-JKSUJKDBSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)CCC)c1ccc(C(F)(F)F)cc1 ZINC001473316824 1061082488 /nfs/dbraw/zinc/08/24/88/1061082488.db2.gz AYHKYKVMLCIJAN-CVEARBPZSA-N 1 0 315.379 4.463 20 30 DIEDRO CCC(CC)[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1cccs1 ZINC001473320833 1061085766 /nfs/dbraw/zinc/08/57/66/1061085766.db2.gz DUDJFHFQGDNAIV-WBVHZDCISA-N 1 0 320.502 4.260 20 30 DIEDRO CC(C)C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccccc1 ZINC001473319559 1061086548 /nfs/dbraw/zinc/08/65/48/1061086548.db2.gz WLTMIJIPPZHDOV-HXUWFJFHSA-N 1 0 308.425 4.314 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1ccccc1C#N)c1cccc(Cl)c1 ZINC001473326361 1061087174 /nfs/dbraw/zinc/08/71/74/1061087174.db2.gz HRNPHRDXRNURIP-QGZVFWFLSA-N 1 0 314.816 4.331 20 30 DIEDRO C#CC[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccccc1 ZINC001473332192 1061093107 /nfs/dbraw/zinc/09/31/07/1061093107.db2.gz USIHSCGPKMFPGI-GHTZIAJQSA-N 1 0 307.437 4.194 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+]Cc2ccc(C#N)c(F)c2)c(C)c1 ZINC001462347058 1061120399 /nfs/dbraw/zinc/12/03/99/1061120399.db2.gz GVEWYOVEJHEIOP-SNAWJCMRSA-N 1 0 308.400 4.426 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001462350022 1061122068 /nfs/dbraw/zinc/12/20/68/1061122068.db2.gz UWBJSXQTGMZREI-LBPRGKRZSA-N 1 0 318.342 4.086 20 30 DIEDRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(C#N)CCC1 ZINC001462353021 1061123701 /nfs/dbraw/zinc/12/37/01/1061123701.db2.gz BTLOAMUADDNUMX-LLVKDONJSA-N 1 0 313.228 4.044 20 30 DIEDRO COC1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCCCCC1 ZINC001462353796 1061124113 /nfs/dbraw/zinc/12/41/13/1061124113.db2.gz GOHCBHPXELVXJO-IBGZPJMESA-N 1 0 312.457 4.265 20 30 DIEDRO Cc1ccc(Br)c(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC001462353536 1061124504 /nfs/dbraw/zinc/12/45/04/1061124504.db2.gz KDJACHLKSJAPOE-GFCCVEGCSA-N 1 0 309.251 4.176 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCOCc1ccccc1)c1ccc(F)c(F)c1 ZINC001473399814 1061137221 /nfs/dbraw/zinc/13/72/21/1061137221.db2.gz CFTXCFLIBSUYSG-LJQANCHMSA-N 1 0 317.379 4.388 20 30 DIEDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001462378056 1061138439 /nfs/dbraw/zinc/13/84/39/1061138439.db2.gz UKOPMSHRPIYXJF-DOTOQJQBSA-N 1 0 300.421 4.346 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)CC12CCCCC2 ZINC001473407061 1061141103 /nfs/dbraw/zinc/14/11/03/1061141103.db2.gz ZWGRKRBVHRZDNH-KRWDZBQOSA-N 1 0 312.457 4.229 20 30 DIEDRO CCCCCCCC[NH2+][C@H](C)C1CCN(C(=O)OCC)CC1 ZINC001473413196 1061147753 /nfs/dbraw/zinc/14/77/53/1061147753.db2.gz XLZLGTWAYSBTJD-MRXNPFEDSA-N 1 0 312.498 4.194 20 30 DIEDRO CCCCCCC[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC001473426370 1061155912 /nfs/dbraw/zinc/15/59/12/1061155912.db2.gz ZINDTGRHSQJPPS-LJQANCHMSA-N 1 0 312.457 4.150 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@@H](C)CSc2ccccc2)ccc1C#N ZINC001462415900 1061159916 /nfs/dbraw/zinc/15/99/16/1061159916.db2.gz SCOQDCARVACEIO-INIZCTEOSA-N 1 0 310.466 4.479 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)[C@@H](C)[C@@H]1OC ZINC001473446741 1061163575 /nfs/dbraw/zinc/16/35/75/1061163575.db2.gz GTBHYQYTJVYIDV-DTDBQYNISA-N 1 0 300.446 4.049 20 30 DIEDRO C=C(C)CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC001473498256 1061194328 /nfs/dbraw/zinc/19/43/28/1061194328.db2.gz MZWNJHLRUZDPMN-XJKSGUPXSA-N 1 0 313.363 4.433 20 30 DIEDRO CCOc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c(C)c1 ZINC001462482614 1061204675 /nfs/dbraw/zinc/20/46/75/1061204675.db2.gz UKDFGJQTYQIBIE-UHFFFAOYSA-N 1 0 320.436 4.018 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001473516355 1061207798 /nfs/dbraw/zinc/20/77/98/1061207798.db2.gz KETUKPYTYRLQSI-GOSISDBHSA-N 1 0 308.510 4.071 20 30 DIEDRO CCC[N@H+](CCCCC(C)(C)C#N)CCN1CCCCCC1 ZINC001473514914 1061209311 /nfs/dbraw/zinc/20/93/11/1061209311.db2.gz LOXNGXZOCYNYSA-UHFFFAOYSA-N 1 0 307.526 4.294 20 30 DIEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCOc1ccccc1C#N ZINC001473518502 1061212656 /nfs/dbraw/zinc/21/26/56/1061212656.db2.gz DFHNUSXWPNVOQU-RDJZCZTQSA-N 1 0 300.446 4.084 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC001462504789 1061216778 /nfs/dbraw/zinc/21/67/78/1061216778.db2.gz LISJMHYEMOAKCK-YJBOKZPZSA-N 1 0 302.462 4.152 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)ccc1C#N ZINC001462512571 1061221834 /nfs/dbraw/zinc/22/18/34/1061221834.db2.gz AFYCDXZJZWIBRX-HXUWFJFHSA-N 1 0 308.400 4.328 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC001462521088 1061227731 /nfs/dbraw/zinc/22/77/31/1061227731.db2.gz OCGGKAUXDXEVDG-FKBYEOEOSA-N 1 0 316.448 4.125 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC001462521082 1061230526 /nfs/dbraw/zinc/23/05/26/1061230526.db2.gz OCGGKAUXDXEVDG-BDTNDASRSA-N 1 0 316.448 4.125 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001462526526 1061235473 /nfs/dbraw/zinc/23/54/73/1061235473.db2.gz POHVKPJTYFMPLG-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO CC(C)(C)C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1(C)C ZINC001473542701 1061239252 /nfs/dbraw/zinc/23/92/52/1061239252.db2.gz XWZMFHOFWXSGHL-QGZVFWFLSA-N 1 0 314.473 4.474 20 30 DIEDRO C#CCCCCCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001473566707 1061254909 /nfs/dbraw/zinc/25/49/09/1061254909.db2.gz VRSFZNNJYDUODS-DLBZAZTESA-N 1 0 307.478 4.012 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC001462556997 1061259678 /nfs/dbraw/zinc/25/96/78/1061259678.db2.gz NHRQIZNVDZVWSX-CQSZACIVSA-N 1 0 301.459 4.430 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(F)c3)CCC2)cc1F ZINC001462568945 1061267964 /nfs/dbraw/zinc/26/79/64/1061267964.db2.gz VKWXIVOMPNDXIA-UHFFFAOYSA-N 1 0 312.363 4.048 20 30 DIEDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001473581233 1061271979 /nfs/dbraw/zinc/27/19/79/1061271979.db2.gz JMODGNWSCMYUKU-NRFANRHFSA-N 1 0 322.427 4.337 20 30 DIEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC001473587324 1061275825 /nfs/dbraw/zinc/27/58/25/1061275825.db2.gz JMDNWHRKPSRTDW-KBPBESRZSA-N 1 0 314.816 4.401 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)C(C)(C)C ZINC001462580048 1061276117 /nfs/dbraw/zinc/27/61/17/1061276117.db2.gz WQFUDKBKEHGONP-OAHLLOKOSA-N 1 0 324.472 4.073 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC001473586867 1061277017 /nfs/dbraw/zinc/27/70/17/1061277017.db2.gz BVRCZKPJXLCHPS-OMVNSRBRSA-N 1 0 318.258 4.198 20 30 DIEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC001473587325 1061277274 /nfs/dbraw/zinc/27/72/74/1061277274.db2.gz JMDNWHRKPSRTDW-KGLIPLIRSA-N 1 0 314.816 4.401 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2c1NCCC2 ZINC001462592917 1061285457 /nfs/dbraw/zinc/28/54/57/1061285457.db2.gz PCFXNPVDLOENEG-UHFFFAOYSA-N 1 0 319.452 4.027 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cccc2ccccc21 ZINC001462596145 1061285474 /nfs/dbraw/zinc/28/54/74/1061285474.db2.gz ZFVLMLVSNGLLRM-HXUWFJFHSA-N 1 0 301.393 4.347 20 30 DIEDRO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC001473615453 1061292965 /nfs/dbraw/zinc/29/29/65/1061292965.db2.gz BUCOUIUQQDUYEM-FQEVSTJZSA-N 1 0 308.400 4.055 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001473626473 1061298692 /nfs/dbraw/zinc/29/86/92/1061298692.db2.gz XROHSDODMWOPPL-UHFFFAOYSA-N 1 0 313.401 4.013 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC001473627392 1061301292 /nfs/dbraw/zinc/30/12/92/1061301292.db2.gz JRACHEHANOLYAY-CYBMUJFWSA-N 1 0 303.837 4.015 20 30 DIEDRO CCCCCCC[N@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001473624552 1061301477 /nfs/dbraw/zinc/30/14/77/1061301477.db2.gz BVCVDLLGMYMQDB-UHFFFAOYSA-N 1 0 324.509 4.431 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC001473637469 1061306496 /nfs/dbraw/zinc/30/64/96/1061306496.db2.gz ICUFLVSQVGGSPV-VQTJNVASSA-N 1 0 301.474 4.360 20 30 DIEDRO CCCCCCCC[C@H](CO)[NH2+]C1CCC2(CCCO2)CC1 ZINC001462652510 1061321070 /nfs/dbraw/zinc/32/10/70/1061321070.db2.gz JCIGDJWDYSMNDR-JLAWEPINSA-N 1 0 311.510 4.179 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC001473673547 1061338184 /nfs/dbraw/zinc/33/81/84/1061338184.db2.gz OIVRXLWMBUMEFF-HNNXBMFYSA-N 1 0 316.445 4.432 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001473676125 1061338492 /nfs/dbraw/zinc/33/84/92/1061338492.db2.gz KOVABPCZFVQMDA-QFBILLFUSA-N 1 0 322.493 4.112 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)CC1 ZINC001473696326 1061356417 /nfs/dbraw/zinc/35/64/17/1061356417.db2.gz FHLICJXGHHMBHE-UHFFFAOYSA-N 1 0 322.374 4.393 20 30 DIEDRO C[C@H](C[N@H+](C)CCOc1ccccc1C#N)C1CCCCC1 ZINC001473707268 1061360773 /nfs/dbraw/zinc/36/07/73/1061360773.db2.gz SRRYBKZXRYEWSF-MRXNPFEDSA-N 1 0 300.446 4.085 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001473739697 1061382233 /nfs/dbraw/zinc/38/22/33/1061382233.db2.gz UGTKBXLHIPDLBM-IRXDYDNUSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001473741936 1061384568 /nfs/dbraw/zinc/38/45/68/1061384568.db2.gz MSIOXZZZZJOZBG-GBESFXJTSA-N 1 0 301.474 4.266 20 30 DIEDRO CCCC1(CCC)CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC001473768806 1061400132 /nfs/dbraw/zinc/40/01/32/1061400132.db2.gz HMZMYIWQWPUTKW-SFHVURJKSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797980 1061411306 /nfs/dbraw/zinc/41/13/06/1061411306.db2.gz STXJYUFHFAYLLB-QFBILLFUSA-N 1 0 322.493 4.064 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1cc(F)ccc1OC ZINC001473814078 1061420629 /nfs/dbraw/zinc/42/06/29/1061420629.db2.gz XSTLUIABGXBJMF-SFHVURJKSA-N 1 0 312.388 4.255 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001473818837 1061422599 /nfs/dbraw/zinc/42/25/99/1061422599.db2.gz XJOFPEOHFJAUAC-JXFKEZNVSA-N 1 0 320.436 4.335 20 30 DIEDRO N#Cc1ccc(C2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 ZINC001473838910 1061428509 /nfs/dbraw/zinc/42/85/09/1061428509.db2.gz NEBCZJDQGYEDBE-SFTDATJTSA-N 1 0 320.411 4.433 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC001473843586 1061430494 /nfs/dbraw/zinc/43/04/94/1061430494.db2.gz HBWJOFFAWWFRFS-ZCPJJFRWSA-N 1 0 318.420 4.115 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001473861737 1061436354 /nfs/dbraw/zinc/43/63/54/1061436354.db2.gz JRYPSMYCDMXOCA-HNNXBMFYSA-N 1 0 302.245 4.315 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CCc1ccccc1Br ZINC001473857327 1061436438 /nfs/dbraw/zinc/43/64/38/1061436438.db2.gz NEETZNPCFFZALY-HNNXBMFYSA-N 1 0 308.263 4.422 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CCc1ccccc1Br ZINC001473857328 1061437315 /nfs/dbraw/zinc/43/73/15/1061437315.db2.gz NEETZNPCFFZALY-OAHLLOKOSA-N 1 0 308.263 4.422 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC001473881217 1061448438 /nfs/dbraw/zinc/44/84/38/1061448438.db2.gz OLHIRGSJTZREHK-HXUWFJFHSA-N 1 0 304.437 4.164 20 30 DIEDRO C=CC[NH2+]C1CCC(C)(c2cccc(Br)c2)CC1 ZINC001473918696 1061468418 /nfs/dbraw/zinc/46/84/18/1061468418.db2.gz JTKVMNAGFQOYPJ-UHFFFAOYSA-N 1 0 308.263 4.425 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccc(F)cc1Cl)C(C)C ZINC001473927383 1061475799 /nfs/dbraw/zinc/47/57/99/1061475799.db2.gz KKYIFWAGGFTREO-GOSISDBHSA-N 1 0 324.871 4.267 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)C1 ZINC001473938137 1061482606 /nfs/dbraw/zinc/48/26/06/1061482606.db2.gz CABAEIYYPLORLS-PKOBYXMFSA-N 1 0 313.489 4.152 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001457738107 1061493107 /nfs/dbraw/zinc/49/31/07/1061493107.db2.gz NWJXCCQJBRACMU-OALUTQOASA-N 1 0 322.537 4.460 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC001473955699 1061496493 /nfs/dbraw/zinc/49/64/93/1061496493.db2.gz MOVWIINHSJXSRV-VXGBXAGGSA-N 1 0 314.292 4.388 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)c(F)c1)c1ccc(C#N)cc1 ZINC001473962971 1061505280 /nfs/dbraw/zinc/50/52/80/1061505280.db2.gz CTYYVEFKBAKPGH-LLVKDONJSA-N 1 0 304.315 4.486 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001473971600 1061514963 /nfs/dbraw/zinc/51/49/63/1061514963.db2.gz WYDIFBMIDYINHN-UHFFFAOYSA-N 1 0 302.780 4.257 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCC(C)C)cc1C#N ZINC001473976132 1061522020 /nfs/dbraw/zinc/52/20/20/1061522020.db2.gz CFOZDMJFSQAUAA-FUHWJXTLSA-N 1 0 300.446 4.261 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC001473989168 1061533187 /nfs/dbraw/zinc/53/31/87/1061533187.db2.gz ULXXWXVPUNLYRX-ZFWWWQNUSA-N 1 0 324.262 4.162 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC001474001975 1061541534 /nfs/dbraw/zinc/54/15/34/1061541534.db2.gz CSUXMDLOEREWCO-GOSISDBHSA-N 1 0 304.437 4.307 20 30 DIEDRO N#CCC[N@@H+](C[C@H](O)c1ccccc1)C1CCCCCCC1 ZINC001251988977 1061547495 /nfs/dbraw/zinc/54/74/95/1061547495.db2.gz RRKMDUFNPYIHEZ-IBGZPJMESA-N 1 0 300.446 4.049 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2cc(C)cc(C)c2)cc1 ZINC001474011846 1061553246 /nfs/dbraw/zinc/55/32/46/1061553246.db2.gz ODMZILNNEWOCNJ-UHFFFAOYSA-N 1 0 307.437 4.038 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1nc2ccccc2o1 ZINC001252120048 1061579944 /nfs/dbraw/zinc/57/99/44/1061579944.db2.gz MGLLRHPVDWRSKL-OAHLLOKOSA-N 1 0 304.434 4.029 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001252121087 1061581702 /nfs/dbraw/zinc/58/17/02/1061581702.db2.gz CCRBJZVKIQCHBT-RTBURBONSA-N 1 0 304.478 4.330 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001252122487 1061582030 /nfs/dbraw/zinc/58/20/30/1061582030.db2.gz WJQPGIKQJQVHNJ-SJLPKXTDSA-N 1 0 308.466 4.231 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001252121120 1061582196 /nfs/dbraw/zinc/58/21/96/1061582196.db2.gz CGYPDZXVJZQXHL-HUUCEWRRSA-N 1 0 309.416 4.167 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC(c2ccccn2)CC1 ZINC001252130527 1061584953 /nfs/dbraw/zinc/58/49/53/1061584953.db2.gz SMGATFSJWZFVLQ-LJQANCHMSA-N 1 0 318.505 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH+]1CCC(c2ccncc2)CC1 ZINC001252127638 1061587395 /nfs/dbraw/zinc/58/73/95/1061587395.db2.gz CTPJXORBMXNNHY-FQEVSTJZSA-N 1 0 318.505 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC001252131530 1061589729 /nfs/dbraw/zinc/58/97/29/1061589729.db2.gz POTFAKKSCMHYAS-SFHVURJKSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H](C(C)(C)O)CC1 ZINC001252133618 1061591201 /nfs/dbraw/zinc/59/12/01/1061591201.db2.gz KDADGEPGOSZLFW-BZSNNMDCSA-N 1 0 313.526 4.017 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CCCc1ccc(C)nc1 ZINC001252134208 1061591294 /nfs/dbraw/zinc/59/12/94/1061591294.db2.gz OPDUYWBLKPOREH-IBGZPJMESA-N 1 0 306.494 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2nc[nH]c2[C@@H]1C(C)C ZINC001252132174 1061592951 /nfs/dbraw/zinc/59/29/51/1061592951.db2.gz BCHJZVFNQGVASA-APWZRJJASA-N 1 0 321.509 4.076 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC001252132661 1061593348 /nfs/dbraw/zinc/59/33/48/1061593348.db2.gz AQGZQGBZGYPTQF-PKOBYXMFSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](C)CCCC(C)(C)O ZINC001252134170 1061593371 /nfs/dbraw/zinc/59/33/71/1061593371.db2.gz NZRAGXCZSJEVJP-IRXDYDNUSA-N 1 0 301.515 4.017 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC001252136441 1061595393 /nfs/dbraw/zinc/59/53/93/1061595393.db2.gz QJYVOEYMEFJWOX-SJLPKXTDSA-N 1 0 305.462 4.211 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](c1ncccc1F)C1CC1 ZINC001252139425 1061596376 /nfs/dbraw/zinc/59/63/76/1061596376.db2.gz NXOFEKQUPWWKQE-WMZOPIPTSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC001252140076 1061597042 /nfs/dbraw/zinc/59/70/42/1061597042.db2.gz YBSUJPXWBYEXMI-OALUTQOASA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CCC1CCC(OC)CC1 ZINC001252139637 1061597301 /nfs/dbraw/zinc/59/73/01/1061597301.db2.gz KNEUUGJHJJZBAS-XBMUEBEBSA-N 1 0 313.526 4.283 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(F)c(OC)c1 ZINC001252138704 1061597433 /nfs/dbraw/zinc/59/74/33/1061597433.db2.gz CTIRCJKHWHVVFX-MRXNPFEDSA-N 1 0 311.441 4.035 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CCC1CCC(OC)CC1 ZINC001252139628 1061597918 /nfs/dbraw/zinc/59/79/18/1061597918.db2.gz KNEUUGJHJJZBAS-JLAWEPINSA-N 1 0 313.526 4.283 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001252139322 1061598148 /nfs/dbraw/zinc/59/81/48/1061598148.db2.gz JPOQEPHLFGDEMH-QFBILLFUSA-N 1 0 307.478 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001252138937 1061598214 /nfs/dbraw/zinc/59/82/14/1061598214.db2.gz GGLKIOZXZVEZKH-MOPGFXCFSA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc(C(F)(F)F)o1 ZINC001252140514 1061599389 /nfs/dbraw/zinc/59/93/89/1061599389.db2.gz BACJCYOWTOWKJV-ZDUSSCGKSA-N 1 0 321.383 4.500 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc(CCOC)c1 ZINC001252141227 1061599445 /nfs/dbraw/zinc/59/94/45/1061599445.db2.gz XNOBFPVRZXOVBN-FQEVSTJZSA-N 1 0 321.505 4.077 20 30 DIEDRO C#Cc1cccc(NCC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC001474086432 1061631427 /nfs/dbraw/zinc/63/14/27/1061631427.db2.gz ZRKWNVXICWGHOX-UHFFFAOYSA-N 1 0 306.453 4.238 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](C)c1ccccc1 ZINC001474106310 1061656939 /nfs/dbraw/zinc/65/69/39/1061656939.db2.gz IWSPRZTUAAYPHA-HNNXBMFYSA-N 1 0 313.828 4.245 20 30 DIEDRO C=C[C@](C)(O)C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001252560060 1061663441 /nfs/dbraw/zinc/66/34/41/1061663441.db2.gz MRKILQRVZNTTEL-NRFANRHFSA-N 1 0 305.421 4.362 20 30 DIEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001252560956 1061663594 /nfs/dbraw/zinc/66/35/94/1061663594.db2.gz WMBCBEFCEOXBLI-IFMALSPDSA-N 1 0 321.464 4.220 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2cn(C)c3cc(Cl)ccc23)cc1 ZINC001474114466 1061664027 /nfs/dbraw/zinc/66/40/27/1061664027.db2.gz PZRDLWKAMVEAFB-UHFFFAOYSA-N 1 0 322.839 4.145 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001252602386 1061672363 /nfs/dbraw/zinc/67/23/63/1061672363.db2.gz RRWSFFOASDPYMZ-JKSUJKDBSA-N 1 0 313.363 4.169 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001252602383 1061673761 /nfs/dbraw/zinc/67/37/61/1061673761.db2.gz RRWSFFOASDPYMZ-CVEARBPZSA-N 1 0 313.363 4.169 20 30 DIEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001474129822 1061676814 /nfs/dbraw/zinc/67/68/14/1061676814.db2.gz XBRXYKVAEDLIML-KRWDZBQOSA-N 1 0 313.441 4.271 20 30 DIEDRO C=CCC[C@H](O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001252612142 1061678597 /nfs/dbraw/zinc/67/85/97/1061678597.db2.gz MASHDCYSVBWGKQ-IBGZPJMESA-N 1 0 316.489 4.190 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C1(c2ccccc2C(F)(F)F)CCC1 ZINC001252622709 1061681849 /nfs/dbraw/zinc/68/18/49/1061681849.db2.gz YYKZELUQJJLSIP-CYBMUJFWSA-N 1 0 313.363 4.001 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)c1 ZINC001474147205 1061692489 /nfs/dbraw/zinc/69/24/89/1061692489.db2.gz ZZKYMFXVZKCMDU-WGSAOQKQSA-N 1 0 323.436 4.296 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CCCCC1 ZINC001474146953 1061692535 /nfs/dbraw/zinc/69/25/35/1061692535.db2.gz MPNQPIFBQSTLLY-IBGZPJMESA-N 1 0 315.457 4.223 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2c1CCC2 ZINC001474185356 1061733468 /nfs/dbraw/zinc/73/34/68/1061733468.db2.gz PLPJEVLXZQFNPI-OAQYLSRUSA-N 1 0 302.421 4.214 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001474187582 1061735530 /nfs/dbraw/zinc/73/55/30/1061735530.db2.gz QOVAMSDUMQHYIO-WMLDXEAASA-N 1 0 310.372 4.400 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1F ZINC001474207766 1061762381 /nfs/dbraw/zinc/76/23/81/1061762381.db2.gz FJHWMPWHCVYGNY-UKRRQHHQSA-N 1 0 307.409 4.067 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001474208082 1061764218 /nfs/dbraw/zinc/76/42/18/1061764218.db2.gz RIQIPAQAEJYORR-RRFJBIMHSA-N 1 0 304.503 4.492 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC001474208298 1061764400 /nfs/dbraw/zinc/76/44/00/1061764400.db2.gz ZCOIZGFFQMDCPW-WBVHZDCISA-N 1 0 318.461 4.033 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001252979929 1061769157 /nfs/dbraw/zinc/76/91/57/1061769157.db2.gz PIXATLWRWBKQDA-GUDVDZBRSA-N 1 0 313.526 4.113 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CCc1ccncc1 ZINC001252981012 1061771271 /nfs/dbraw/zinc/77/12/71/1061771271.db2.gz XAEUWUGHHREKGP-LJQANCHMSA-N 1 0 306.494 4.105 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(C)cn1 ZINC001252983142 1061771914 /nfs/dbraw/zinc/77/19/14/1061771914.db2.gz RVGWVVSAKOYDNM-LJQANCHMSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ncccc1OC ZINC001252985727 1061775277 /nfs/dbraw/zinc/77/52/77/1061775277.db2.gz GGDKYBVPBNADDY-QGZVFWFLSA-N 1 0 322.493 4.072 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC001252984987 1061775720 /nfs/dbraw/zinc/77/57/20/1061775720.db2.gz CDCSDNACQNDIDF-OTWHNJEPSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@H+](C)Cc1cc(C)nn1C ZINC001252984454 1061775755 /nfs/dbraw/zinc/77/57/55/1061775755.db2.gz IKCMXYVLCUJVJA-IBGZPJMESA-N 1 0 323.525 4.052 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC(O)(CC)CC1 ZINC001252985766 1061777724 /nfs/dbraw/zinc/77/77/24/1061777724.db2.gz OYDUCZVQWTZWCD-GOSISDBHSA-N 1 0 313.526 4.115 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC(C(C)=O)CC1 ZINC001252984414 1061777857 /nfs/dbraw/zinc/77/78/57/1061777857.db2.gz HXJWDBARTHODBC-LJQANCHMSA-N 1 0 311.510 4.179 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001252987111 1061778778 /nfs/dbraw/zinc/77/87/78/1061778778.db2.gz QSAHETSTMFJJGB-ZWKOTPCHSA-N 1 0 313.526 4.425 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]C1CCC(OC)CC1 ZINC001252987770 1061779261 /nfs/dbraw/zinc/77/92/61/1061779261.db2.gz XALSLMMPKMFQMH-XBMUEBEBSA-N 1 0 313.526 4.425 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[C@@]12CCCOC2 ZINC001252988398 1061779613 /nfs/dbraw/zinc/77/96/13/1061779613.db2.gz FNGXZMPLEJBLSB-IPMKNSEASA-N 1 0 311.510 4.037 20 30 DIEDRO CCCCC[N@H+](CCNc1ncccc1C#N)Cc1ccccc1 ZINC001458469824 1061781746 /nfs/dbraw/zinc/78/17/46/1061781746.db2.gz CNTALALDLRVUEJ-UHFFFAOYSA-N 1 0 322.456 4.058 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)cs1 ZINC001474225454 1061786630 /nfs/dbraw/zinc/78/66/30/1061786630.db2.gz INXVKIRJJZOZEN-CTYIDZIISA-N 1 0 300.452 4.033 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC001474231274 1061791839 /nfs/dbraw/zinc/79/18/39/1061791839.db2.gz PSOALHBEHGPUAK-LJQANCHMSA-N 1 0 317.473 4.326 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC001474229911 1061792772 /nfs/dbraw/zinc/79/27/72/1061792772.db2.gz GDTIILVYEJPEGA-FVQBIDKESA-N 1 0 322.855 4.392 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC001474230502 1061793482 /nfs/dbraw/zinc/79/34/82/1061793482.db2.gz CJELNQUFZAURAQ-UHFFFAOYSA-N 1 0 313.388 4.379 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)cc1Cl ZINC001474241431 1061805123 /nfs/dbraw/zinc/80/51/23/1061805123.db2.gz NELFRCDWNBBVQO-QGZVFWFLSA-N 1 0 323.864 4.342 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCCC1 ZINC001474247063 1061810331 /nfs/dbraw/zinc/81/03/31/1061810331.db2.gz OYSWRYKKZDQFDX-UHFFFAOYSA-N 1 0 310.372 4.049 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001474255908 1061822531 /nfs/dbraw/zinc/82/25/31/1061822531.db2.gz BXLPMLVASFIWBN-JKSUJKDBSA-N 1 0 324.509 4.262 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CCC[C@H]2C=CCC2)ccc1OC ZINC001474254847 1061822762 /nfs/dbraw/zinc/82/27/62/1061822762.db2.gz NZUHRDPZUGWNKZ-KRWDZBQOSA-N 1 0 315.457 4.486 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001474256527 1061823669 /nfs/dbraw/zinc/82/36/69/1061823669.db2.gz QJQZHNUCKDHGRI-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001253239843 1061836725 /nfs/dbraw/zinc/83/67/25/1061836725.db2.gz UGEQPNBBSWXOPH-HKUYNNGSSA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001253239845 1061836860 /nfs/dbraw/zinc/83/68/60/1061836860.db2.gz UGEQPNBBSWXOPH-MJGOQNOKSA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001253239138 1061837722 /nfs/dbraw/zinc/83/77/22/1061837722.db2.gz KOKSGUCCKKOPCN-RTBURBONSA-N 1 0 316.489 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001253239844 1061838235 /nfs/dbraw/zinc/83/82/35/1061838235.db2.gz UGEQPNBBSWXOPH-IEBWSBKVSA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC001253240532 1061838586 /nfs/dbraw/zinc/83/85/86/1061838586.db2.gz NGPQBPBMBIOVHU-CVEARBPZSA-N 1 0 308.491 4.168 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001253243298 1061840322 /nfs/dbraw/zinc/84/03/22/1061840322.db2.gz UDRXQGLSINYGSX-ZWKOTPCHSA-N 1 0 321.505 4.098 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCOC2(C)C)CC1 ZINC001253242540 1061841236 /nfs/dbraw/zinc/84/12/36/1061841236.db2.gz MQUZYAAVPQXNAW-SFHVURJKSA-N 1 0 323.521 4.155 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1cc(F)ccc1OC ZINC001474273602 1061841606 /nfs/dbraw/zinc/84/16/06/1061841606.db2.gz FMUGICRKUZBVGI-GOSISDBHSA-N 1 0 312.388 4.255 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC001474276273 1061844880 /nfs/dbraw/zinc/84/48/80/1061844880.db2.gz PPJLUYFWROZYQP-QFBILLFUSA-N 1 0 305.462 4.160 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH2+]CC2CCC=CCC2)c1 ZINC001474277763 1061845366 /nfs/dbraw/zinc/84/53/66/1061845366.db2.gz OEYUDODEQPUGRZ-UHFFFAOYSA-N 1 0 319.246 4.157 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C(C)(C)C(=O)c1ccccc1 ZINC001253247010 1061847048 /nfs/dbraw/zinc/84/70/48/1061847048.db2.gz VQNBYMYCVLCMAB-SFHVURJKSA-N 1 0 317.473 4.125 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(N(CC)CC)c(F)c2)CCCCC1 ZINC001474279388 1061847656 /nfs/dbraw/zinc/84/76/56/1061847656.db2.gz SMQOTQXNLJMJDQ-UHFFFAOYSA-N 1 0 316.464 4.488 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC001253248773 1061850732 /nfs/dbraw/zinc/85/07/32/1061850732.db2.gz BTNAETDLKPRVNU-RTBURBONSA-N 1 0 304.478 4.256 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC001253249333 1061851231 /nfs/dbraw/zinc/85/12/31/1061851231.db2.gz JMFNGSUBIDGVAR-QAPCUYQASA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001253250927 1061853214 /nfs/dbraw/zinc/85/32/14/1061853214.db2.gz FVPVHYUDPVJQOB-QGZVFWFLSA-N 1 0 311.510 4.200 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC001253251841 1061853397 /nfs/dbraw/zinc/85/33/97/1061853397.db2.gz OXMHQAXVHQVNHM-MJGOQNOKSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1ncccc1C)C1CC1 ZINC001253250277 1061853419 /nfs/dbraw/zinc/85/34/19/1061853419.db2.gz WIGRISLQIDDMQU-UYAOXDASSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC001253252973 1061853565 /nfs/dbraw/zinc/85/35/65/1061853565.db2.gz APWNQGHOCGQLNM-HNNXBMFYSA-N 1 0 303.437 4.432 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001253252228 1061854926 /nfs/dbraw/zinc/85/49/26/1061854926.db2.gz SSASAKZSXREORB-YLJYHZDGSA-N 1 0 312.457 4.023 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC001253251139 1061854994 /nfs/dbraw/zinc/85/49/94/1061854994.db2.gz GUQKQGCXQKVSDH-RDJZCZTQSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1ncccc1C)C1CC1 ZINC001253250274 1061855122 /nfs/dbraw/zinc/85/51/22/1061855122.db2.gz WIGRISLQIDDMQU-AZUAARDMSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(N(C)C)c1 ZINC001253254293 1061856180 /nfs/dbraw/zinc/85/61/80/1061856180.db2.gz PLNKBQHQYRFPRC-FXAWDEMLSA-N 1 0 318.505 4.291 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCOc2ccc(C)cc21 ZINC001253255236 1061857386 /nfs/dbraw/zinc/85/73/86/1061857386.db2.gz HEHKPOHMHGNPEW-PKOBYXMFSA-N 1 0 317.473 4.296 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cnc(C(C)C)s1 ZINC001253255542 1061858068 /nfs/dbraw/zinc/85/80/68/1061858068.db2.gz JSLJWAAUMQBAJE-HNNXBMFYSA-N 1 0 310.507 4.244 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC001474290793 1061859995 /nfs/dbraw/zinc/85/99/95/1061859995.db2.gz CGRFINQGVMOYFS-SMDDNHRTSA-N 1 0 312.226 4.423 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC001474294696 1061865060 /nfs/dbraw/zinc/86/50/60/1061865060.db2.gz SASFHFGJESUTEC-CQSZACIVSA-N 1 0 309.251 4.009 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001474300038 1061870747 /nfs/dbraw/zinc/87/07/47/1061870747.db2.gz QZCMVMNQGVZJKX-UXHICEINSA-N 1 0 318.464 4.456 20 30 DIEDRO C=CCC1(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)CCCC1 ZINC001466092937 1061873367 /nfs/dbraw/zinc/87/33/67/1061873367.db2.gz CODZRKYXZFMJQY-UHFFFAOYSA-N 1 0 300.446 4.132 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)cc1 ZINC001474310949 1061881488 /nfs/dbraw/zinc/88/14/88/1061881488.db2.gz RJZDFNLUBOUAND-QFIPXVFZSA-N 1 0 303.449 4.431 20 30 DIEDRO C=CC1CC[NH+](Cc2sc(C)cc2Br)CC1 ZINC001474310956 1061882724 /nfs/dbraw/zinc/88/27/24/1061882724.db2.gz AICGNTRRMCCUHG-UHFFFAOYSA-N 1 0 300.265 4.217 20 30 DIEDRO CNc1ccc(C)cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001474327033 1061915770 /nfs/dbraw/zinc/91/57/70/1061915770.db2.gz OGRVFKLOTSGAII-TZIWHRDSSA-N 1 0 319.452 4.309 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)cc1OC ZINC001474333188 1061921646 /nfs/dbraw/zinc/92/16/46/1061921646.db2.gz WBDFUGAXXGCCRD-STQMWFEESA-N 1 0 309.837 4.144 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]CC1CC(=O)C1 ZINC001253563376 1061926335 /nfs/dbraw/zinc/92/63/35/1061926335.db2.gz DTNSOXSWBHZJOI-GOSISDBHSA-N 1 0 311.510 4.227 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]CC1(C)COC1 ZINC001253566073 1061932395 /nfs/dbraw/zinc/93/23/95/1061932395.db2.gz WRXVZXKWUHCMNB-GOSISDBHSA-N 1 0 313.526 4.284 20 30 DIEDRO Cc1cc(C[NH+]2CCC(c3ccccc3F)CC2)ccc1C#N ZINC001474338446 1061933656 /nfs/dbraw/zinc/93/36/56/1061933656.db2.gz SDAVUKSNISALDR-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)CC(C)(C)Oc1ccccc1 ZINC001474339795 1061935502 /nfs/dbraw/zinc/93/55/02/1061935502.db2.gz NLBCFLXXAHAHMA-UHFFFAOYSA-N 1 0 302.462 4.496 20 30 DIEDRO C=C[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC001253608231 1061937394 /nfs/dbraw/zinc/93/73/94/1061937394.db2.gz KCFDEOQSAWWPMP-RXVVDRJESA-N 1 0 303.405 4.066 20 30 DIEDRO N#Cc1ccc(OCc2cccc(C[NH+]3CCCCC3)c2)c(F)c1 ZINC001459001843 1061969498 /nfs/dbraw/zinc/96/94/98/1061969498.db2.gz VGOTYSUHMSTFOB-UHFFFAOYSA-N 1 0 324.399 4.262 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001474356996 1061973362 /nfs/dbraw/zinc/97/33/62/1061973362.db2.gz CMIUCWHBWGSHFB-RLLQIKCJSA-N 1 0 312.457 4.148 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC001474368934 1062005235 /nfs/dbraw/zinc/00/52/35/1062005235.db2.gz CTRCMPNZFDXUOT-UHFFFAOYSA-N 1 0 303.446 4.416 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1O ZINC001474374433 1062012944 /nfs/dbraw/zinc/01/29/44/1062012944.db2.gz RQWKPQFOIZPOFR-UHFFFAOYSA-N 1 0 314.816 4.329 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)cc1OC ZINC001474374632 1062020589 /nfs/dbraw/zinc/02/05/89/1062020589.db2.gz YPSCZHGNLKNEHV-UHFFFAOYSA-N 1 0 308.425 4.288 20 30 DIEDRO C#CC[N@@H+](Cc1cc2ccccc2n1C)[C@H]1CCc2ccccc21 ZINC001474386415 1062035574 /nfs/dbraw/zinc/03/55/74/1062035574.db2.gz CSGPWJKFVBSSTO-QFIPXVFZSA-N 1 0 314.432 4.301 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Cl)cc1O)[C@H]1CCc2ccccc21 ZINC001474388288 1062038572 /nfs/dbraw/zinc/03/85/72/1062038572.db2.gz ZWPXCBSUCUYKQI-SFHVURJKSA-N 1 0 311.812 4.168 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cnc2c(F)cccc2c1 ZINC001474390571 1062042363 /nfs/dbraw/zinc/04/23/63/1062042363.db2.gz HQQCMOAGJQNGHT-UHFFFAOYSA-N 1 0 310.372 4.198 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(Cl)c(C)cc1O ZINC001474392208 1062044331 /nfs/dbraw/zinc/04/43/31/1062044331.db2.gz UPBIBGMKOOSKDL-UHFFFAOYSA-N 1 0 305.805 4.178 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](C3CCC(F)(F)CC3)CC2)cc1 ZINC001254222470 1062057013 /nfs/dbraw/zinc/05/70/13/1062057013.db2.gz AEELWOLFZNPGFE-UHFFFAOYSA-N 1 0 318.411 4.391 20 30 DIEDRO CC#CCC[NH2+][C@H](CC)CCc1ccc(Br)cc1 ZINC001474408598 1062073619 /nfs/dbraw/zinc/07/36/19/1062073619.db2.gz ROLJRIRTQJLFDX-MRXNPFEDSA-N 1 0 308.263 4.163 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254309355 1062074406 /nfs/dbraw/zinc/07/44/06/1062074406.db2.gz DHXMINZKMFAHHD-INIZCTEOSA-N 1 0 310.482 4.064 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccsc2)CC1 ZINC001254342739 1062081030 /nfs/dbraw/zinc/08/10/30/1062081030.db2.gz SEHKLZONHUVWDH-UHFFFAOYSA-N 1 0 314.429 4.381 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@@H]2CCC[C@H]2F)CC1 ZINC001254342919 1062081663 /nfs/dbraw/zinc/08/16/63/1062081663.db2.gz VEOBYVLCNGBWKD-YUCBAPQESA-N 1 0 318.411 4.257 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC001254341500 1062081714 /nfs/dbraw/zinc/08/17/14/1062081714.db2.gz GOPJUXPPGKURSV-QGLXBCBXSA-N 1 0 318.411 4.400 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]COc2ccccc2)CC1 ZINC001254348594 1062082555 /nfs/dbraw/zinc/08/25/55/1062082555.db2.gz TVLDETSAMYTJIL-UHFFFAOYSA-N 1 0 324.399 4.156 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(CF)CC2)CC1 ZINC001254355341 1062082984 /nfs/dbraw/zinc/08/29/84/1062082984.db2.gz DRAIUEOSNSZAST-UHFFFAOYSA-N 1 0 318.411 4.211 20 30 DIEDRO C[C@@]1(F)CCC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353280 1062085452 /nfs/dbraw/zinc/08/54/52/1062085452.db2.gz YOUOXXCTAVVHON-JLAWEPINSA-N 1 0 318.411 4.354 20 30 DIEDRO C[N@H+](CCC1CC1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254358675 1062085649 /nfs/dbraw/zinc/08/56/49/1062085649.db2.gz IOYUDUDOVDRJMN-UHFFFAOYSA-N 1 0 300.421 4.262 20 30 DIEDRO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C2(CC2)C1 ZINC001254359713 1062086928 /nfs/dbraw/zinc/08/69/28/1062086928.db2.gz OKBWMMBWDBUJPT-MNNVXMFVSA-N 1 0 312.432 4.404 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@H+](CC2CC2)C2CC2)CC1 ZINC001254360336 1062088974 /nfs/dbraw/zinc/08/89/74/1062088974.db2.gz ZQSWAQPOGPJUNW-UHFFFAOYSA-N 1 0 312.432 4.404 20 30 DIEDRO CC[N@H+](C[C@H]1CCCC(C)(C)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC001459345201 1062100168 /nfs/dbraw/zinc/10/01/68/1062100168.db2.gz DPNDTTOYJBWTBV-MAUKXSAKSA-N 1 0 300.446 4.289 20 30 DIEDRO CC[N@H+](C[C@@H](Cc1ccccc1)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC001459350021 1062105397 /nfs/dbraw/zinc/10/53/97/1062105397.db2.gz LIOCAIMDKODTQU-LAUBAEHRSA-N 1 0 322.452 4.199 20 30 DIEDRO CCC[C@H](CCc1ccccc1)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001254486249 1062128217 /nfs/dbraw/zinc/12/82/17/1062128217.db2.gz WZMPQXNVZYSRJS-LJQANCHMSA-N 1 0 305.425 4.065 20 30 DIEDRO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001254493027 1062134037 /nfs/dbraw/zinc/13/40/37/1062134037.db2.gz IVOAYPWGVXPQBQ-ROUUACIJSA-N 1 0 315.482 4.062 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](Cc1cccc(Cl)c1)CC(C)C)[C@H]1CCCO1 ZINC001474459913 1062136903 /nfs/dbraw/zinc/13/69/03/1062136903.db2.gz OHPIXHYFXQGERA-CEXWTWQISA-N 1 0 319.876 4.068 20 30 DIEDRO C#C[C@H]([NH2+][C@H](Cc1cccc(Cl)c1)CC(C)C)[C@@H]1CCCO1 ZINC001474459914 1062138196 /nfs/dbraw/zinc/13/81/96/1062138196.db2.gz OHPIXHYFXQGERA-FHWLQOOXSA-N 1 0 319.876 4.068 20 30 DIEDRO Cc1cccc(C[N@@H+](CCOc2ccccc2C#N)CC(C)C)c1 ZINC001459426601 1062142064 /nfs/dbraw/zinc/14/20/64/1062142064.db2.gz ZVGPQTMGJVKXLK-UHFFFAOYSA-N 1 0 322.452 4.404 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001474467337 1062145777 /nfs/dbraw/zinc/14/57/77/1062145777.db2.gz VPYZQTKSHGJBCE-INIZCTEOSA-N 1 0 322.493 4.278 20 30 DIEDRO Cc1cc(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)ccc1C#N ZINC001474474043 1062151714 /nfs/dbraw/zinc/15/17/14/1062151714.db2.gz ADHFWKLMLANORF-PBEJRMEISA-N 1 0 324.468 4.036 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC001474475266 1062153729 /nfs/dbraw/zinc/15/37/29/1062153729.db2.gz YHFSOOSPMJCKSU-AWEZNQCLSA-N 1 0 316.367 4.247 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001474477381 1062157692 /nfs/dbraw/zinc/15/76/92/1062157692.db2.gz RVJYEVYUBQWGNT-KOMQPUFPSA-N 1 0 314.791 4.387 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001474484112 1062164011 /nfs/dbraw/zinc/16/40/11/1062164011.db2.gz SBNSTNJXMBALHQ-GVDBMIGSSA-N 1 0 324.509 4.499 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC001467644705 1062172017 /nfs/dbraw/zinc/17/20/17/1062172017.db2.gz OSMKOVUZBXTISO-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC001467644702 1062172862 /nfs/dbraw/zinc/17/28/62/1062172862.db2.gz OSMKOVUZBXTISO-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560785 1062178649 /nfs/dbraw/zinc/17/86/49/1062178649.db2.gz YITXCPFNPIDOFH-INIZCTEOSA-N 1 0 310.397 4.214 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC001459520309 1062180616 /nfs/dbraw/zinc/18/06/16/1062180616.db2.gz JCIYLBLRIJPNEU-RDJZCZTQSA-N 1 0 323.358 4.201 20 30 DIEDRO C#C[C@H]([NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1)C(C)C ZINC001474509580 1062190412 /nfs/dbraw/zinc/19/04/12/1062190412.db2.gz VOJOOUPNFQFPNJ-KBWCOIMZSA-N 1 0 313.485 4.188 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001474509072 1062191021 /nfs/dbraw/zinc/19/10/21/1062191021.db2.gz KHEKLWXORJEJOX-QFUCXCTJSA-N 1 0 320.411 4.465 20 30 DIEDRO C=CCCCCC[N@@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001459542985 1062196698 /nfs/dbraw/zinc/19/66/98/1062196698.db2.gz TXQFNQCNYAPTPJ-UHFFFAOYSA-N 1 0 311.372 4.229 20 30 DIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC001254608697 1062199966 /nfs/dbraw/zinc/19/99/66/1062199966.db2.gz AYVDRTSCPQZZIN-OAHLLOKOSA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1cc2c(s1)N([C@@H]1CC[C@@H](C#N)C1)c1ccccc1NC2=N ZINC001254636689 1062207088 /nfs/dbraw/zinc/20/70/88/1062207088.db2.gz LIEXPDJQMFTXEI-CHWSQXEVSA-N 1 0 322.437 4.237 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(OC)c(O)cc2Cl)CCCCC1 ZINC001474525057 1062208064 /nfs/dbraw/zinc/20/80/64/1062208064.db2.gz NNZGIUNEWUORRU-UHFFFAOYSA-N 1 0 309.837 4.423 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CCC2)C1 ZINC001254650155 1062212727 /nfs/dbraw/zinc/21/27/27/1062212727.db2.gz XYNYRHRQRSCANP-STQMWFEESA-N 1 0 308.347 4.366 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2c3ccccc3CCc3ccccc32)C1 ZINC001254645935 1062214080 /nfs/dbraw/zinc/21/40/80/1062214080.db2.gz IFZVTDOFKQGKIN-APWZRJJASA-N 1 0 316.448 4.199 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001254643943 1062214758 /nfs/dbraw/zinc/21/47/58/1062214758.db2.gz OWGOZCXWKLDMTM-YOEHRIQHSA-N 1 0 310.372 4.400 20 30 DIEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001459570578 1062215145 /nfs/dbraw/zinc/21/51/45/1062215145.db2.gz RZEUXOUVWPYTRE-LJQANCHMSA-N 1 0 323.396 4.296 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC001254650826 1062215275 /nfs/dbraw/zinc/21/52/75/1062215275.db2.gz XUKXINGEJMVZGS-UGFHNGPFSA-N 1 0 307.235 4.182 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001254644194 1062215291 /nfs/dbraw/zinc/21/52/91/1062215291.db2.gz VPXGSLDDVNGEMU-NXEZZACHSA-N 1 0 302.727 4.141 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C1 ZINC001254649076 1062215395 /nfs/dbraw/zinc/21/53/95/1062215395.db2.gz MQAHNPVLMAICPV-GZMMTYOYSA-N 1 0 303.620 4.429 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccc(CCc3ccccc3)cc2)C1 ZINC001254652925 1062215968 /nfs/dbraw/zinc/21/59/68/1062215968.db2.gz IHTGGJDCHWDLBJ-VXKWHMMOSA-N 1 0 318.464 4.296 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001254654176 1062216557 /nfs/dbraw/zinc/21/65/57/1062216557.db2.gz SHVOYKQOSUNZFK-HZUKXOBISA-N 1 0 319.246 4.108 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC001254658545 1062218497 /nfs/dbraw/zinc/21/84/97/1062218497.db2.gz WMPYWNFJEYGSRK-FZMZJTMJSA-N 1 0 317.845 4.245 20 30 DIEDRO CC(C)(Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254654791 1062219321 /nfs/dbraw/zinc/21/93/21/1062219321.db2.gz AKAKZULYYSQURN-GXTWGEPZSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC001254657175 1062219798 /nfs/dbraw/zinc/21/97/98/1062219798.db2.gz OBUNEOSMEDEXLR-BFQNTYOBSA-N 1 0 319.246 4.108 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc(Cl)c3)n2)C1 ZINC001254658472 1062219894 /nfs/dbraw/zinc/21/98/94/1062219894.db2.gz WKNUVBDSBNTDSB-RISCZKNCSA-N 1 0 317.845 4.245 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc3nc(-c4ccccc4)oc3c2)C1 ZINC001254655568 1062220114 /nfs/dbraw/zinc/22/01/14/1062220114.db2.gz DUFOAMUZNCJZMO-PBHICJAKSA-N 1 0 317.392 4.277 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC001254657179 1062220384 /nfs/dbraw/zinc/22/03/84/1062220384.db2.gz OBUNEOSMEDEXLR-XHBSWPGZSA-N 1 0 319.246 4.108 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001459577841 1062221692 /nfs/dbraw/zinc/22/16/92/1062221692.db2.gz OVRNRERSHRQWAG-FOIQADDNSA-N 1 0 308.400 4.323 20 30 DIEDRO Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)c1 ZINC001254669119 1062222017 /nfs/dbraw/zinc/22/20/17/1062222017.db2.gz OMGBGEZQLYRNRV-OWCLPIDISA-N 1 0 318.848 4.184 20 30 DIEDRO Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)c1 ZINC001254669118 1062224272 /nfs/dbraw/zinc/22/42/72/1062224272.db2.gz OMGBGEZQLYRNRV-HRCADAONSA-N 1 0 318.848 4.184 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(Cc3c(F)cccc3Cl)CC2)C1 ZINC001254670825 1062227766 /nfs/dbraw/zinc/22/77/66/1062227766.db2.gz MPYJPAXUBLRDOZ-LSDHHAIUSA-N 1 0 320.839 4.426 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC001254672060 1062227827 /nfs/dbraw/zinc/22/78/27/1062227827.db2.gz XEBVJPVRIVGSRO-DAXOMENPSA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCSCC2)C1 ZINC001254676916 1062230179 /nfs/dbraw/zinc/23/01/79/1062230179.db2.gz OOMYGUNKROXYIV-SJLPKXTDSA-N 1 0 300.471 4.076 20 30 DIEDRO C#C[C@H]([NH2+]CCCc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC001474543679 1062236421 /nfs/dbraw/zinc/23/64/21/1062236421.db2.gz ARYOEFDWPLBCRJ-SFHVURJKSA-N 1 0 303.327 4.001 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](OCCCC)C1(C)C)c1ccc(F)cc1 ZINC001474543891 1062236977 /nfs/dbraw/zinc/23/69/77/1062236977.db2.gz HKYGCVWMXQBNKG-RCCFBDPRSA-N 1 0 303.421 4.073 20 30 DIEDRO C#C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)c1ccc(F)cc1 ZINC001474544511 1062238123 /nfs/dbraw/zinc/23/81/23/1062238123.db2.gz PWQKGKIXGHWVRL-UUKMXZOPSA-N 1 0 315.432 4.360 20 30 DIEDRO C#C[C@H]([NH2+]C1CC(C(C)C)C1)c1ccc(Br)cc1 ZINC001474545177 1062240861 /nfs/dbraw/zinc/24/08/61/1062240861.db2.gz BQFVYQHBLVMJPH-BCLQGDPASA-N 1 0 306.247 4.148 20 30 DIEDRO C=CCC1(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC1 ZINC001468068664 1062254380 /nfs/dbraw/zinc/25/43/80/1062254380.db2.gz YXSOGJIPARABMG-UHFFFAOYSA-N 1 0 320.521 4.092 20 30 DIEDRO C[C@@H](Cc1ccsc1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001459623398 1062257067 /nfs/dbraw/zinc/25/70/67/1062257067.db2.gz PGDMTTHRBWYUDK-AWEZNQCLSA-N 1 0 303.858 4.316 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001474558218 1062259483 /nfs/dbraw/zinc/25/94/83/1062259483.db2.gz XYEJNFJPUBTMOT-UGSOOPFHSA-N 1 0 301.792 4.374 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccccc1F)c1ccc(Cl)cc1 ZINC001474558328 1062261478 /nfs/dbraw/zinc/26/14/78/1062261478.db2.gz ZXAFXVGXALONLM-FZKQIMNGSA-N 1 0 301.792 4.374 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001474558215 1062261783 /nfs/dbraw/zinc/26/17/83/1062261783.db2.gz XYEJNFJPUBTMOT-ACJLOTCBSA-N 1 0 301.792 4.374 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001474561036 1062266642 /nfs/dbraw/zinc/26/66/42/1062266642.db2.gz VWIKGBRMJTXRBT-LBPRGKRZSA-N 1 0 323.234 4.425 20 30 DIEDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCc2ccc(C#N)cc2)o1 ZINC001459643058 1062272019 /nfs/dbraw/zinc/27/20/19/1062272019.db2.gz IMCXWLZUZIGPKN-KXBFYZLASA-N 1 0 308.425 4.475 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)C1CCOCC1 ZINC001255044090 1062302831 /nfs/dbraw/zinc/30/28/31/1062302831.db2.gz JYFCJBIBLGYMEX-QGZVFWFLSA-N 1 0 320.436 4.300 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001474591289 1062303379 /nfs/dbraw/zinc/30/33/79/1062303379.db2.gz DYAWGGUKQDXQKS-SYEQVDHESA-N 1 0 322.374 4.412 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(O)cc(Cl)c1 ZINC001474591747 1062303815 /nfs/dbraw/zinc/30/38/15/1062303815.db2.gz QXNCJPJOFIICMN-LBPRGKRZSA-N 1 0 300.789 4.110 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001459692402 1062309211 /nfs/dbraw/zinc/30/92/11/1062309211.db2.gz CSPSPCZLNWCCPX-ZWKOTPCHSA-N 1 0 319.876 4.217 20 30 DIEDRO CCC1(CC)[C@H]([N@H+](C)CC#Cc2cccc(Cl)c2)C[C@@H]1OC ZINC001459692397 1062311962 /nfs/dbraw/zinc/31/19/62/1062311962.db2.gz CSPSPCZLNWCCPX-MSOLQXFVSA-N 1 0 319.876 4.217 20 30 DIEDRO C=CCCCC[N@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC001459714505 1062331113 /nfs/dbraw/zinc/33/11/13/1062331113.db2.gz OSPCJZBYZAQYOP-UHFFFAOYSA-N 1 0 302.462 4.094 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC001474623280 1062345924 /nfs/dbraw/zinc/34/59/24/1062345924.db2.gz MLRKCAKJDFPBGU-NXHRZFHOSA-N 1 0 317.473 4.446 20 30 DIEDRO CCCCCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255185368 1062354169 /nfs/dbraw/zinc/35/41/69/1062354169.db2.gz MJVJNSYGCQRSJJ-NNZMDNLPSA-N 1 0 324.509 4.479 20 30 DIEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)C12CCC2 ZINC001474631668 1062354320 /nfs/dbraw/zinc/35/43/20/1062354320.db2.gz MZRVOYKHDLTYOD-HOTGVXAUSA-N 1 0 304.478 4.176 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255226795 1062359215 /nfs/dbraw/zinc/35/92/15/1062359215.db2.gz UAVTWMVAJMONOM-OSYLJGHBSA-N 1 0 324.509 4.477 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C1(CC)CC ZINC001459748166 1062359896 /nfs/dbraw/zinc/35/98/96/1062359896.db2.gz KPTGOKGBLACYOJ-RTBURBONSA-N 1 0 314.473 4.282 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(C#N)n1)c1ccc2ccccc2c1 ZINC001474651273 1062379086 /nfs/dbraw/zinc/37/90/86/1062379086.db2.gz JTCVLTOSDVBQLM-UHFFFAOYSA-N 1 0 301.393 4.131 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC001459769413 1062381156 /nfs/dbraw/zinc/38/11/56/1062381156.db2.gz GZSOWEPETBCGTD-IBGZPJMESA-N 1 0 312.457 4.372 20 30 DIEDRO CC[C@H](C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001474654673 1062386030 /nfs/dbraw/zinc/38/60/30/1062386030.db2.gz KUVWXBIOBJYDKD-QGZVFWFLSA-N 1 0 304.437 4.305 20 30 DIEDRO C=CC[C@H](C)[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC001459799001 1062408745 /nfs/dbraw/zinc/40/87/45/1062408745.db2.gz YDEQHTWMCHGOPU-KRWDZBQOSA-N 1 0 318.464 4.339 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CC(c3ccc(Cl)cc3)C1)C2 ZINC001474677352 1062409099 /nfs/dbraw/zinc/40/90/99/1062409099.db2.gz KJZBEMFDDALAPO-SKINQDTJSA-N 1 0 322.839 4.215 20 30 DIEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001459804330 1062413429 /nfs/dbraw/zinc/41/34/29/1062413429.db2.gz CKAANLSLGIKKET-AWEZNQCLSA-N 1 0 321.262 4.189 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC2CCC(C#N)CC2)c1 ZINC001459812257 1062416631 /nfs/dbraw/zinc/41/66/31/1062416631.db2.gz DEJYHERWKHNQGL-FLAIETJXSA-N 1 0 312.457 4.408 20 30 DIEDRO N#CC[C@@H](O)C[NH2+][C@H](CCCCc1ccccc1)c1ccccc1 ZINC001459817197 1062421580 /nfs/dbraw/zinc/42/15/80/1062421580.db2.gz MMKVKHDUPSGNOB-NHCUHLMSSA-N 1 0 322.452 4.005 20 30 DIEDRO Cc1cccc(C2=CC[N@H+](CCc3ccc(C#N)cc3)CC2)c1 ZINC001459815942 1062421939 /nfs/dbraw/zinc/42/19/39/1062421939.db2.gz FURADESZRYGNJG-UHFFFAOYSA-N 1 0 302.421 4.199 20 30 DIEDRO N#CC[C@@H](O)C[NH2+][C@@H](CCCCc1ccccc1)c1ccccc1 ZINC001459817206 1062423443 /nfs/dbraw/zinc/42/34/43/1062423443.db2.gz MMKVKHDUPSGNOB-RTWAWAEBSA-N 1 0 322.452 4.005 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@H](C)c2cccc(Br)c2)CC1 ZINC001474694592 1062424068 /nfs/dbraw/zinc/42/40/68/1062424068.db2.gz JDGMXHSAPPMVAT-CKEIUWERSA-N 1 0 320.274 4.334 20 30 DIEDRO Cc1ccc(C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)cc1C#N ZINC001474701430 1062430032 /nfs/dbraw/zinc/43/00/32/1062430032.db2.gz LIHJNNUCEVFPGV-ZDUSSCGKSA-N 1 0 300.352 4.038 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC001474705536 1062431272 /nfs/dbraw/zinc/43/12/72/1062431272.db2.gz NXPRZYLGRHNFCG-IRLDBZIGSA-N 1 0 316.448 4.261 20 30 DIEDRO C#CCOCC[NH2+][C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC001459842217 1062441129 /nfs/dbraw/zinc/44/11/29/1062441129.db2.gz GACMRQVLJVXWHN-OAHLLOKOSA-N 1 0 313.828 4.307 20 30 DIEDRO C#CCOCC[NH2+][C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC001459842215 1062441921 /nfs/dbraw/zinc/44/19/21/1062441921.db2.gz GACMRQVLJVXWHN-HNNXBMFYSA-N 1 0 313.828 4.307 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC001459846705 1062444674 /nfs/dbraw/zinc/44/46/74/1062444674.db2.gz JIVJGUSWJUOMFS-GTPINHCMSA-N 1 0 300.446 4.454 20 30 DIEDRO CCc1ccc(C2=CC[N@H+](Cc3cccc(C#N)c3)CC2)cc1 ZINC001459877010 1062466896 /nfs/dbraw/zinc/46/68/96/1062466896.db2.gz ZNFZIADFAXMRCT-UHFFFAOYSA-N 1 0 302.421 4.410 20 30 DIEDRO FC[C@]1(C(F)(F)F)CC[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255517213 1062470250 /nfs/dbraw/zinc/47/02/50/1062470250.db2.gz VPNUDFRGYOSGHG-VQXHTEKXSA-N 1 0 321.280 4.331 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1c(F)cccc1C(F)(F)F ZINC001255635914 1062491130 /nfs/dbraw/zinc/49/11/30/1062491130.db2.gz JDTSTYNMUOIKPJ-SSDOTTSWSA-N 1 0 303.221 4.275 20 30 DIEDRO CCCCC[N@@H+](CC#Cc1ccc(Cl)cc1)CCCOC ZINC001459938147 1062507396 /nfs/dbraw/zinc/50/73/96/1062507396.db2.gz ZVBURFDFWCJKLY-UHFFFAOYSA-N 1 0 307.865 4.220 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)(CC1)CC2 ZINC001255692187 1062521070 /nfs/dbraw/zinc/52/10/70/1062521070.db2.gz MZSTVBYDPBXKEB-ZUJMUWTESA-N 1 0 300.368 4.314 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1Cl ZINC001255698275 1062524575 /nfs/dbraw/zinc/52/45/75/1062524575.db2.gz AIQBAPYDYICMTF-CHWSQXEVSA-N 1 0 316.754 4.422 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)CC12CCCCC2 ZINC001459984348 1062547446 /nfs/dbraw/zinc/54/74/46/1062547446.db2.gz BVZWOWXTQUGXOO-OAHLLOKOSA-N 1 0 300.421 4.490 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)CC12CCCCC2 ZINC001459997452 1062558921 /nfs/dbraw/zinc/55/89/21/1062558921.db2.gz WPDPSBDJCGPPKI-OAHLLOKOSA-N 1 0 300.421 4.490 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2ccc(C(=O)OC)s2)CCCC1(C)C ZINC001460029903 1062584888 /nfs/dbraw/zinc/58/48/88/1062584888.db2.gz NMQZHTDDZXGXTP-HNNXBMFYSA-N 1 0 307.459 4.101 20 30 DIEDRO C[N@H+](CCOc1ccccc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC001460034225 1062586766 /nfs/dbraw/zinc/58/67/66/1062586766.db2.gz XHJKPHSVDHQLIL-UHFFFAOYSA-N 1 0 322.452 4.367 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)[C@H](C)c1cc(Cl)ccc1Cl ZINC001460032986 1062587512 /nfs/dbraw/zinc/58/75/12/1062587512.db2.gz OMBMYJFTNPOOSH-CYBMUJFWSA-N 1 0 315.288 4.494 20 30 DIEDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001460096414 1062633384 /nfs/dbraw/zinc/63/33/84/1062633384.db2.gz FBKIHCZFKUPMRL-QWHCGFSZSA-N 1 0 321.262 4.331 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc2c(Br)cccc12 ZINC001460131692 1062650739 /nfs/dbraw/zinc/65/07/39/1062650739.db2.gz OLAKQFBFCVSBDR-KRWDZBQOSA-N 1 0 316.242 4.494 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC001460132965 1062653404 /nfs/dbraw/zinc/65/34/04/1062653404.db2.gz SPECMYGAQPYRBM-OAQYLSRUSA-N 1 0 322.452 4.169 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001460160390 1062669349 /nfs/dbraw/zinc/66/93/49/1062669349.db2.gz IQJJGVIWXGSWFD-ZRGWGRIASA-N 1 0 308.400 4.464 20 30 DIEDRO CC[NH+](CC)CC[C@H](C)N(CCC#N)Cc1ccc(Cl)cc1 ZINC001255967746 1062675031 /nfs/dbraw/zinc/67/50/31/1062675031.db2.gz SDBFDWTYNAVWIS-INIZCTEOSA-N 1 0 321.896 4.176 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3OC)C2)cc1 ZINC001460169971 1062676030 /nfs/dbraw/zinc/67/60/30/1062676030.db2.gz ZUJMOUOYVDTCTL-LJQANCHMSA-N 1 0 320.436 4.119 20 30 DIEDRO CC(C)([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1F ZINC001460175447 1062679332 /nfs/dbraw/zinc/67/93/32/1062679332.db2.gz UVZPGIUMCYITKP-UHFFFAOYSA-N 1 0 301.792 4.356 20 30 DIEDRO N#CC1(CC[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CCCCC1 ZINC001460173666 1062679763 /nfs/dbraw/zinc/67/97/63/1062679763.db2.gz TYXBABMQZHMONC-OAQYLSRUSA-N 1 0 324.468 4.320 20 30 DIEDRO Cc1ccc(C[N@H+](C)CCCOc2ccc(C#N)cc2)cc1C ZINC001460243330 1062722454 /nfs/dbraw/zinc/72/24/54/1062722454.db2.gz XYFXDFZKMRNPSE-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC001460258962 1062737204 /nfs/dbraw/zinc/73/72/04/1062737204.db2.gz SDQNJOZYGAINMS-IBGZPJMESA-N 1 0 320.436 4.335 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CC1(C)C ZINC001460262111 1062739698 /nfs/dbraw/zinc/73/96/98/1062739698.db2.gz GRHPXJWXCXHEBD-LSDHHAIUSA-N 1 0 310.363 4.491 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]CC1(C#N)CCCC1 ZINC001256176027 1062742664 /nfs/dbraw/zinc/74/26/64/1062742664.db2.gz YJIBTRGUSWOJSU-ZDUSSCGKSA-N 1 0 321.262 4.054 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001256189903 1062744745 /nfs/dbraw/zinc/74/47/45/1062744745.db2.gz JFLKKMASFORYIT-KGLIPLIRSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]CCCCC#N ZINC001256221094 1062753921 /nfs/dbraw/zinc/75/39/21/1062753921.db2.gz UZLUGVIMBZSTKU-ZDUSSCGKSA-N 1 0 309.251 4.054 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CC#Cc3ccc(Cl)cc3)CCC2)cc1 ZINC001460310948 1062775684 /nfs/dbraw/zinc/77/56/84/1062775684.db2.gz QSLPVXMHZGJKOS-UHFFFAOYSA-N 1 0 320.823 4.232 20 30 DIEDRO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCc2ccc(F)cc21 ZINC001460331951 1062784038 /nfs/dbraw/zinc/78/40/38/1062784038.db2.gz HQBKRRQLUGMUST-QQFBHYJXSA-N 1 0 300.421 4.117 20 30 DIEDRO N#Cc1cccc(CN2CCc3oc(-c4ccccc4)cc3C2)c1 ZINC001460356500 1062802756 /nfs/dbraw/zinc/80/27/56/1062802756.db2.gz NIPHJHXZLIFRDZ-UHFFFAOYSA-N 1 0 314.388 4.377 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001460362696 1062807934 /nfs/dbraw/zinc/80/79/34/1062807934.db2.gz NXNGGCBROFSUNC-CQSZACIVSA-N 1 0 313.363 4.416 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](CC)C(=O)Nc2ccc(C)cc2)C1 ZINC001460359957 1062810287 /nfs/dbraw/zinc/81/02/87/1062810287.db2.gz IPLUHODXAIKFTG-AEFFLSMTSA-N 1 0 300.446 4.000 20 30 DIEDRO COc1ccc(C#N)cc1CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001460388591 1062826156 /nfs/dbraw/zinc/82/61/56/1062826156.db2.gz HRMCYSHYHWIIOW-IBGZPJMESA-N 1 0 322.408 4.277 20 30 DIEDRO CCOC1CCC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001256445238 1062826197 /nfs/dbraw/zinc/82/61/97/1062826197.db2.gz KJSMENGSBMXBIA-UHFFFAOYSA-N 1 0 312.457 4.085 20 30 DIEDRO COc1ccc(C#N)cc1CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC001460388594 1062826605 /nfs/dbraw/zinc/82/66/05/1062826605.db2.gz HRMCYSHYHWIIOW-LJQANCHMSA-N 1 0 322.408 4.277 20 30 DIEDRO CCOC1CCC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001256442649 1062827703 /nfs/dbraw/zinc/82/77/03/1062827703.db2.gz UWRKEZVMCKFTQZ-UHFFFAOYSA-N 1 0 312.457 4.085 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256477449 1062836389 /nfs/dbraw/zinc/83/63/89/1062836389.db2.gz AXDSMWGAESMLJN-HOTGVXAUSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)(C)C ZINC001256491098 1062838376 /nfs/dbraw/zinc/83/83/76/1062838376.db2.gz VOODKVLBBZQRBM-LSDHHAIUSA-N 1 0 310.482 4.061 20 30 DIEDRO C[C@@H](CCC#N)[NH+]1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001460409384 1062840691 /nfs/dbraw/zinc/84/06/91/1062840691.db2.gz MVILIHQJJZWATF-AWEZNQCLSA-N 1 0 319.518 4.387 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529558 1062852627 /nfs/dbraw/zinc/85/26/27/1062852627.db2.gz VHSMRZOHSFQKNN-VQIMIIECSA-N 1 0 312.432 4.326 20 30 DIEDRO CCCC[C@H](CC)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC001460455592 1062864195 /nfs/dbraw/zinc/86/41/95/1062864195.db2.gz KCBFNMFLJAVBCG-KRWDZBQOSA-N 1 0 314.473 4.370 20 30 DIEDRO C=CCCCCC[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC001460467130 1062866259 /nfs/dbraw/zinc/86/62/59/1062866259.db2.gz NAXRGNSIQZRSFG-INIZCTEOSA-N 1 0 315.379 4.249 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256561578 1062885338 /nfs/dbraw/zinc/88/53/38/1062885338.db2.gz YUCPIHFYVIGMIR-ICSRJNTNSA-N 1 0 300.490 4.328 20 30 DIEDRO CCCCCCCC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001470946973 1062893919 /nfs/dbraw/zinc/89/39/19/1062893919.db2.gz GNUNCRJCIALWOB-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO C=C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001256604967 1062912970 /nfs/dbraw/zinc/91/29/70/1062912970.db2.gz VCOCVMBAYNXVOT-OAQYLSRUSA-N 1 0 306.453 4.168 20 30 DIEDRO CSc1ccccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001460565616 1062915526 /nfs/dbraw/zinc/91/55/26/1062915526.db2.gz GESXIVBGMDHPJL-UHFFFAOYSA-N 1 0 308.450 4.033 20 30 DIEDRO C[N@H+](Cc1ccccc1OCc1ccccc1)CC1(CC#N)CC1 ZINC001460622317 1062940668 /nfs/dbraw/zinc/94/06/68/1062940668.db2.gz NJQGURBVVFHYKG-UHFFFAOYSA-N 1 0 320.436 4.391 20 30 DIEDRO N#Cc1ccc(N2CC[NH+](CCC3CCCCCC3)CC2)cc1 ZINC001460634375 1062950982 /nfs/dbraw/zinc/95/09/82/1062950982.db2.gz FDFNRWAEZWDCTE-UHFFFAOYSA-N 1 0 311.473 4.041 20 30 DIEDRO CCC[N@H+](CCC#N)[C@H](C)Cc1ccccc1Br ZINC001256844089 1063014879 /nfs/dbraw/zinc/01/48/79/1063014879.db2.gz LYRKRTMGQXCKGQ-CYBMUJFWSA-N 1 0 309.251 4.006 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH+]1CCC(C)(C#N)CC1 ZINC001256847546 1063018055 /nfs/dbraw/zinc/01/80/55/1063018055.db2.gz MBKRFZWFXFGBRA-CYBMUJFWSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1cccc(C#N)c1 ZINC001460749434 1063036216 /nfs/dbraw/zinc/03/62/16/1063036216.db2.gz RRXGWVZDKXQAAX-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](c2ccccc2)c2ccc(O)cc2)CC1 ZINC001256959691 1063057536 /nfs/dbraw/zinc/05/75/36/1063057536.db2.gz QJMJYBFIKHPFFA-UPQHMETBSA-N 1 0 306.409 4.154 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccccc2N2CCCCCC2)CC1 ZINC001256953173 1063058707 /nfs/dbraw/zinc/05/87/07/1063058707.db2.gz CGCFZPDXLBXLJB-UHFFFAOYSA-N 1 0 311.473 4.239 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001256951130 1063059042 /nfs/dbraw/zinc/05/90/42/1063059042.db2.gz XWMWGXBYXCUHTQ-UHFFFAOYSA-N 1 0 300.299 4.016 20 30 DIEDRO N#CC1CCC(n2cc(CC[NH3+])c3cc(Cl)ccc32)CC1 ZINC001256954206 1063059383 /nfs/dbraw/zinc/05/93/83/1063059383.db2.gz ZXSXLCSOUTXEQK-UHFFFAOYSA-N 1 0 301.821 4.051 20 30 DIEDRO N#CC1CCC([NH2+][C@H](c2cccnc2C(F)(F)F)C2CC2)CC1 ZINC001256965321 1063060447 /nfs/dbraw/zinc/06/04/47/1063060447.db2.gz RBAFLCMJMAPRES-HGMXIMQMSA-N 1 0 323.362 4.223 20 30 DIEDRO N#CC1CCC([NH+]2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC001256969034 1063061006 /nfs/dbraw/zinc/06/10/06/1063061006.db2.gz YCACJFSYARWAHK-UHFFFAOYSA-N 1 0 318.848 4.266 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](c2ccnc(C(F)(F)F)c2)C2CC2)CC1 ZINC001256962304 1063061101 /nfs/dbraw/zinc/06/11/01/1063061101.db2.gz GZOZLZNUIRHYTJ-HFLCMSJXSA-N 1 0 323.362 4.223 20 30 DIEDRO N#CC1CCC([NH+]2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC001256969801 1063062204 /nfs/dbraw/zinc/06/22/04/1063062204.db2.gz OXAPJQXCVAQOCL-UHFFFAOYSA-N 1 0 300.421 4.163 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cn2)C2CC2)CC1 ZINC001256962429 1063062821 /nfs/dbraw/zinc/06/28/21/1063062821.db2.gz LCWYDKWELJTWOY-HFLCMSJXSA-N 1 0 323.362 4.223 20 30 DIEDRO C=C(C)c1cccc(NC(=O)c2cccc(CC[NH+](C)C)c2)c1 ZINC001472267261 1063064710 /nfs/dbraw/zinc/06/47/10/1063064710.db2.gz HMFXKKGUVQPBIW-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO N#CC1CCC([NH+]2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC001256973492 1063065291 /nfs/dbraw/zinc/06/52/91/1063065291.db2.gz RHFWXNQLVMHVHW-UHFFFAOYSA-N 1 0 300.421 4.163 20 30 DIEDRO C[C@H](COCC1CCCCC1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001460814095 1063076709 /nfs/dbraw/zinc/07/67/09/1063076709.db2.gz HICDTRCNFBGNGF-HZPDHXFCSA-N 1 0 300.446 4.194 20 30 DIEDRO N#Cc1ccc(C2CCC(Nc3cccc(C[NH3+])c3)CC2)cc1 ZINC001257011485 1063077000 /nfs/dbraw/zinc/07/70/00/1063077000.db2.gz POVFWEQRYPYYAZ-UHFFFAOYSA-N 1 0 305.425 4.155 20 30 DIEDRO C[C@H](COCC1CCCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC001460814093 1063077638 /nfs/dbraw/zinc/07/76/38/1063077638.db2.gz HICDTRCNFBGNGF-CVEARBPZSA-N 1 0 300.446 4.194 20 30 DIEDRO N#Cc1ccc(C2CCC([N@H+]3C[C@H]4[C@H](CC4(F)F)C3)CC2)cc1 ZINC001257017107 1063081077 /nfs/dbraw/zinc/08/10/77/1063081077.db2.gz OHPBHBJEJMIKJM-FPQWYMTMSA-N 1 0 316.395 4.171 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001257018931 1063083075 /nfs/dbraw/zinc/08/30/75/1063083075.db2.gz HOVUAYFHFGVDNR-UHFFFAOYSA-N 1 0 317.436 4.038 20 30 DIEDRO CSC1CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257020858 1063086177 /nfs/dbraw/zinc/08/61/77/1063086177.db2.gz LEYZIDBWOZDZHX-UHFFFAOYSA-N 1 0 314.498 4.412 20 30 DIEDRO CC(=O)[C@@H]1CCCC[N@@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257020081 1063086588 /nfs/dbraw/zinc/08/65/88/1063086588.db2.gz ZEVSXDAYXICOOI-MHJFOBGBSA-N 1 0 310.441 4.028 20 30 DIEDRO C=CC1(CC(=O)NCCC[NH+](C(C)C)C(C)C)CCCCC1 ZINC001472523040 1063094196 /nfs/dbraw/zinc/09/41/96/1063094196.db2.gz NDWHRJJDYWZDAS-UHFFFAOYSA-N 1 0 308.510 4.138 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(OC(C)(C)C)c1 ZINC001460848174 1063100721 /nfs/dbraw/zinc/10/07/21/1063100721.db2.gz JBJFJXBJQAHBGH-UHFFFAOYSA-N 1 0 314.454 4.429 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460886545 1063115538 /nfs/dbraw/zinc/11/55/38/1063115538.db2.gz NGAJJRGEDFZJKQ-IRXDYDNUSA-N 1 0 322.493 4.064 20 30 DIEDRO C=C[C@@H]([NH2+][C@H](C)Cc1ccc(C(=O)OCC)cc1)c1ccccc1 ZINC001257158354 1063124557 /nfs/dbraw/zinc/12/45/57/1063124557.db2.gz WARPLZNRSQBGFW-OXQOHEQNSA-N 1 0 323.436 4.311 20 30 DIEDRO C=CCCC[N@@H+](CC)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460902353 1063125745 /nfs/dbraw/zinc/12/57/45/1063125745.db2.gz ULQXABNHXDSKCW-KRWDZBQOSA-N 1 0 324.509 4.312 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001257204721 1063137351 /nfs/dbraw/zinc/13/73/51/1063137351.db2.gz LQZABKQXKGQJID-DLBZAZTESA-N 1 0 324.509 4.309 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(OCC)c(OCC)c2)C1 ZINC001460993873 1063171959 /nfs/dbraw/zinc/17/19/59/1063171959.db2.gz CIRHFOAJVWAKII-AEFFLSMTSA-N 1 0 317.473 4.361 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001461005586 1063181331 /nfs/dbraw/zinc/18/13/31/1063181331.db2.gz ASVWZJGGRUAUKU-UHFFFAOYSA-N 1 0 321.449 4.063 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cc(C)c(C)cc1C)C(C)C ZINC001461036149 1063204626 /nfs/dbraw/zinc/20/46/26/1063204626.db2.gz QFUDWJLZYHCMLF-NRFANRHFSA-N 1 0 314.517 4.400 20 30 DIEDRO COc1cc(C[NH2+]C2CCC(c3ccccc3)CC2)ccc1C#N ZINC001461039220 1063209223 /nfs/dbraw/zinc/20/92/23/1063209223.db2.gz MJDHWDMYZYDZAB-UHFFFAOYSA-N 1 0 320.436 4.383 20 30 DIEDRO CCCC(CCC)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001257340911 1063221173 /nfs/dbraw/zinc/22/11/73/1063221173.db2.gz QBHSBFRIHUTTIS-UHFFFAOYSA-N 1 0 300.446 4.370 20 30 DIEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@H](C)CCCCCC)C2)CC1 ZINC001257362504 1063230449 /nfs/dbraw/zinc/23/04/49/1063230449.db2.gz CVQYPBCIMUKDKM-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@H](C)CCCCCC)CCC2 ZINC001257364850 1063230716 /nfs/dbraw/zinc/23/07/16/1063230716.db2.gz DHZYVTNDAQLBEY-QGZVFWFLSA-N 1 0 319.493 4.150 20 30 DIEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H](C)CCCCCC)CC2 ZINC001257362150 1063232133 /nfs/dbraw/zinc/23/21/33/1063232133.db2.gz AHLJZWGMYNNZOJ-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO CCC(C)(C)C1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001257408274 1063259429 /nfs/dbraw/zinc/25/94/29/1063259429.db2.gz RTGCCGAVUCLCET-UYSNPLJNSA-N 1 0 307.503 4.256 20 30 DIEDRO CCCC[C@@H](CC)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001257425198 1063275079 /nfs/dbraw/zinc/27/50/79/1063275079.db2.gz LYHMIDBIFNEXKJ-QGZVFWFLSA-N 1 0 300.446 4.370 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC001461126701 1063277651 /nfs/dbraw/zinc/27/76/51/1063277651.db2.gz CSTMAUCWGHEIGQ-GJZGRUSLSA-N 1 0 305.849 4.268 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC(C)(C)c1ccccc1C ZINC001461137285 1063285303 /nfs/dbraw/zinc/28/53/03/1063285303.db2.gz RTSSVMRMCKRTTB-UHFFFAOYSA-N 1 0 307.437 4.074 20 30 DIEDRO CCCCC[C@@H](C)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001257503010 1063314249 /nfs/dbraw/zinc/31/42/49/1063314249.db2.gz IUQZQSGZBMUZPY-GOSISDBHSA-N 1 0 313.489 4.103 20 30 DIEDRO CC(C)CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001461177883 1063313902 /nfs/dbraw/zinc/31/39/02/1063313902.db2.gz QRGYEJJHNGDWIE-WMZOPIPTSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H](C)CCCCC)C2 ZINC001257509524 1063319838 /nfs/dbraw/zinc/31/98/38/1063319838.db2.gz HEGBDCIVNXWXEG-CEXWTWQISA-N 1 0 309.494 4.029 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001257550686 1063331000 /nfs/dbraw/zinc/33/10/00/1063331000.db2.gz QURRRFLEMVAKTH-KRWDZBQOSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCCCCC[C@H](C)[N@H+]1CCc2nncn2CC1 ZINC001257550998 1063332374 /nfs/dbraw/zinc/33/23/74/1063332374.db2.gz ZRUWTZZWCBPPGW-KRWDZBQOSA-N 1 0 306.498 4.056 20 30 DIEDRO CCCCCCCCCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001461231750 1063352991 /nfs/dbraw/zinc/35/29/91/1063352991.db2.gz MILPYXINNFJRBK-ROUUACIJSA-N 1 0 308.510 4.260 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)C1 ZINC001461265297 1063375923 /nfs/dbraw/zinc/37/59/23/1063375923.db2.gz NVWBPMHQAQALGL-FHLIZLRMSA-N 1 0 306.881 4.277 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](SCC)C2)cc1 ZINC001461272134 1063381405 /nfs/dbraw/zinc/38/14/05/1063381405.db2.gz CJQZLPKMNPXVQV-IEBWSBKVSA-N 1 0 317.498 4.243 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C)cc1OC(C)C ZINC001461281044 1063386923 /nfs/dbraw/zinc/38/69/23/1063386923.db2.gz NABIMAQXNQLUFW-UHFFFAOYSA-N 1 0 323.436 4.084 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC001461282833 1063389236 /nfs/dbraw/zinc/38/92/36/1063389236.db2.gz CEJFDDHGFMFINA-QGZVFWFLSA-N 1 0 314.816 4.159 20 30 DIEDRO C=CC[N@@H+](CCc1ccc(CC)cc1)Cc1ccc(OC)cc1 ZINC001473115828 1063415637 /nfs/dbraw/zinc/41/56/37/1063415637.db2.gz WONBZRXKUVYKKJ-UHFFFAOYSA-N 1 0 309.453 4.488 20 30 DIEDRO CC[N@H+](CCCc1scnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001473117974 1063419325 /nfs/dbraw/zinc/41/93/25/1063419325.db2.gz SQAULWVLHDUGTN-HNNXBMFYSA-N 1 0 313.470 4.339 20 30 DIEDRO CC[N@H+](CCCc1scnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC001473117975 1063420089 /nfs/dbraw/zinc/42/00/89/1063420089.db2.gz SQAULWVLHDUGTN-OAHLLOKOSA-N 1 0 313.470 4.339 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3CCOc4ccc(OC)cc43)C[C@H](C1)C2 ZINC001257887840 1063424559 /nfs/dbraw/zinc/42/45/59/1063424559.db2.gz MHSZWUUNJOKXTH-QDXKRRSBSA-N 1 0 313.441 4.243 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CCC3CCC4(CC3)OCCO4)C[C@H](C1)C2 ZINC001257887748 1063425209 /nfs/dbraw/zinc/42/52/09/1063425209.db2.gz IBRHTZLHVKWAMY-DFNIBXOVSA-N 1 0 319.489 4.034 20 30 DIEDRO C=C1C[C@@H]2CC(NC(=[NH2+])c3ccc4cc(O)ccc4c3)C[C@H](C1)C2 ZINC001257887817 1063425572 /nfs/dbraw/zinc/42/55/72/1063425572.db2.gz LLLBPPHQXVZFTQ-RTHVDDQRSA-N 1 0 320.436 4.386 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CCc3nc(-c4ccccc4)no3)C[C@H](C1)C2 ZINC001257886918 1063426213 /nfs/dbraw/zinc/42/62/13/1063426213.db2.gz PQGRBXCSMASPFL-BYICEURKSA-N 1 0 323.440 4.004 20 30 DIEDRO C#CC[N@@H+](CCc1ccccc1CC)[C@@H]1CCc2ccccc21 ZINC001473122250 1063427214 /nfs/dbraw/zinc/42/72/14/1063427214.db2.gz UWMRFKBESMDEEL-JOCHJYFZSA-N 1 0 303.449 4.414 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)C[C@H](C1)C2 ZINC001257889480 1063427631 /nfs/dbraw/zinc/42/76/31/1063427631.db2.gz BCRZQTWMTSAVJT-LOLMAXHTSA-N 1 0 312.457 4.431 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](c3ccnc(F)c3)C3CC3)C[C@H](C1)C2 ZINC001257890037 1063427836 /nfs/dbraw/zinc/42/78/36/1063427836.db2.gz BZZVKWSSCIQJQT-ORDNPPIHSA-N 1 0 300.421 4.396 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](CO)c3ccc(Cl)cc3)C[C@H](C1)C2 ZINC001257888554 1063427987 /nfs/dbraw/zinc/42/79/87/1063427987.db2.gz SQVDBSFNOONDNT-TURZLHOUSA-N 1 0 305.849 4.098 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](C)CCNC(=O)OC(C)(C)C)C[C@H](C1)C2 ZINC001257888165 1063428024 /nfs/dbraw/zinc/42/80/24/1063428024.db2.gz ZXOUNHDUEGDXDD-VPSFDDGASA-N 1 0 322.493 4.014 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C[C@H](O)c3cc4ccccc4o3)C[C@H](C1)C2 ZINC001257890525 1063428451 /nfs/dbraw/zinc/42/84/51/1063428451.db2.gz XSINPFOKUBNQMS-MPBLMAKGSA-N 1 0 311.425 4.191 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cccc(C(F)(F)F)n3)C[C@H](C1)C2 ZINC001257890533 1063428508 /nfs/dbraw/zinc/42/85/08/1063428508.db2.gz YEPHWIPMXTYTJZ-NNQSOWQGSA-N 1 0 310.363 4.325 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CC3(CC4CC4)CCOCC3)C[C@H](C1)C2 ZINC001257890625 1063429045 /nfs/dbraw/zinc/42/90/45/1063429045.db2.gz RKOZSKFXVRSUHV-DFNIBXOVSA-N 1 0 303.490 4.308 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3Cc4cnn(-c5ccccc5)c4C3)C[C@H](C1)C2 ZINC001257895679 1063431016 /nfs/dbraw/zinc/43/10/16/1063431016.db2.gz XSFGNTJZXUIZKA-XEWABKELSA-N 1 0 319.452 4.323 20 30 DIEDRO N#CCC[N@@H+](Cc1ccc(Cl)cc1)C1CCC2(COC2)CC1 ZINC001257911038 1063441236 /nfs/dbraw/zinc/44/12/36/1063441236.db2.gz SCQNNJDGKVGSRE-UHFFFAOYSA-N 1 0 318.848 4.015 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](O)c1cc(C)cc(C)c1 ZINC001473136818 1063443826 /nfs/dbraw/zinc/44/38/26/1063443826.db2.gz KHPJKDISTAUWJO-NRFANRHFSA-N 1 0 309.453 4.068 20 30 DIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)CC(C)(C)C ZINC001473146918 1063453384 /nfs/dbraw/zinc/45/33/84/1063453384.db2.gz UCIGRBIUNICBNS-INIZCTEOSA-N 1 0 302.462 4.079 20 30 DIEDRO C=C(C)CC[N@@H+](CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001473151032 1063456236 /nfs/dbraw/zinc/45/62/36/1063456236.db2.gz CXJTUAOHKPCPLZ-HXUWFJFHSA-N 1 0 300.490 4.329 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001461384952 1063464787 /nfs/dbraw/zinc/46/47/87/1063464787.db2.gz DGUWUVYYCOUIRG-QAPCUYQASA-N 1 0 315.457 4.476 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CCC(=O)NCc1ccccc1 ZINC001258038904 1063472072 /nfs/dbraw/zinc/47/20/72/1063472072.db2.gz GNNGSLNFMAVTAK-QGZVFWFLSA-N 1 0 304.478 4.032 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(CC(=O)C(C)(C)C)CC1 ZINC001258041176 1063472423 /nfs/dbraw/zinc/47/24/23/1063472423.db2.gz OGKIWAHRDRLENN-QGZVFWFLSA-N 1 0 324.553 4.405 20 30 DIEDRO CCCCCCC[C@@H](C)N[C@@H](CCSC)C(=O)OCC ZINC001258039469 1063472863 /nfs/dbraw/zinc/47/28/63/1063472863.db2.gz RAXTWMZNFQLWHG-CABCVRRESA-N 1 0 303.512 4.010 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc(OC2CCC2)ncn1 ZINC001258043117 1063474669 /nfs/dbraw/zinc/47/46/69/1063474669.db2.gz JFRLPOASVGPLTM-HNNXBMFYSA-N 1 0 305.466 4.247 20 30 DIEDRO C=CCCOCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001461404237 1063477247 /nfs/dbraw/zinc/47/72/47/1063477247.db2.gz FNLHKZACFGRDRU-UHFFFAOYSA-N 1 0 322.861 4.146 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001258047508 1063477297 /nfs/dbraw/zinc/47/72/97/1063477297.db2.gz LICBDBDPXASJPV-MSOLQXFVSA-N 1 0 321.509 4.100 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(F)(C(=O)OCC)CC1 ZINC001258047091 1063478102 /nfs/dbraw/zinc/47/81/02/1063478102.db2.gz GWYDSOZRHBVNHR-OAHLLOKOSA-N 1 0 301.446 4.103 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001258045170 1063478143 /nfs/dbraw/zinc/47/81/43/1063478143.db2.gz XWCLLACGCBEFKQ-WMZOPIPTSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001258045169 1063478250 /nfs/dbraw/zinc/47/82/50/1063478250.db2.gz XWCLLACGCBEFKQ-SJLPKXTDSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001258047509 1063478304 /nfs/dbraw/zinc/47/83/04/1063478304.db2.gz LICBDBDPXASJPV-QZTJIDSGSA-N 1 0 321.509 4.100 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccnc(OCC2CC2)n1 ZINC001258043459 1063479227 /nfs/dbraw/zinc/47/92/27/1063479227.db2.gz PKORNSHZHNYOJO-HNNXBMFYSA-N 1 0 305.466 4.104 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cn(Cc2ccncc2)cn1 ZINC001258044099 1063479366 /nfs/dbraw/zinc/47/93/66/1063479366.db2.gz XKTXOYAVENSUJY-QGZVFWFLSA-N 1 0 314.477 4.165 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCc2onc(COCC)c2C1 ZINC001258046697 1063479546 /nfs/dbraw/zinc/47/95/46/1063479546.db2.gz CNKNLIVVWXQHCA-HNNXBMFYSA-N 1 0 308.466 4.318 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@]2(C)CCCc3ccccc32)cc1 ZINC001461408698 1063480061 /nfs/dbraw/zinc/48/00/61/1063480061.db2.gz JIDIQVBRCOFJGZ-QFIPXVFZSA-N 1 0 319.448 4.082 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC001473173505 1063480059 /nfs/dbraw/zinc/48/00/59/1063480059.db2.gz LPQLYVRWJYHNIA-KDOFPFPSSA-N 1 0 324.399 4.084 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001258048243 1063481045 /nfs/dbraw/zinc/48/10/45/1063481045.db2.gz RVCYWYFITSURMV-QUCCMNQESA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001258049293 1063482532 /nfs/dbraw/zinc/48/25/32/1063482532.db2.gz DKKIMBCGMDQWNF-KRWDZBQOSA-N 1 0 310.526 4.314 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001258050453 1063483256 /nfs/dbraw/zinc/48/32/56/1063483256.db2.gz VJNUXJBXYMFXAT-HNNXBMFYSA-N 1 0 323.456 4.208 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473179376 1063484200 /nfs/dbraw/zinc/48/42/00/1063484200.db2.gz DYWOAOBGLKJAPW-CRAIPNDOSA-N 1 0 308.400 4.384 20 30 DIEDRO Cc1cc(Br)ccc1C[N@@H+](CCC#N)CC(C)C ZINC001473179205 1063484821 /nfs/dbraw/zinc/48/48/21/1063484821.db2.gz POJXEEWEZXAZCF-UHFFFAOYSA-N 1 0 309.251 4.129 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cccc(C(=O)OC)c1Cl ZINC001473179494 1063484858 /nfs/dbraw/zinc/48/48/58/1063484858.db2.gz ROXUEHPAQPTHRP-UHFFFAOYSA-N 1 0 309.837 4.305 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001258051845 1063485747 /nfs/dbraw/zinc/48/57/47/1063485747.db2.gz KGHUWXIUMATKCY-HNNXBMFYSA-N 1 0 301.478 4.461 20 30 DIEDRO COc1ccccc1C1(C[NH2+]Cc2ccc(C#N)c(C)c2)CCC1 ZINC001461424828 1063492082 /nfs/dbraw/zinc/49/20/82/1063492082.db2.gz ZWPYIHIGYAATPK-UHFFFAOYSA-N 1 0 320.436 4.087 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H](C)C[C@H](C)CC(C)C)CC2 ZINC001258066394 1063493580 /nfs/dbraw/zinc/49/35/80/1063493580.db2.gz PZZIPFLRKWVQCM-MSOLQXFVSA-N 1 0 320.521 4.090 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)ccc1C#N ZINC001461431318 1063496182 /nfs/dbraw/zinc/49/61/82/1063496182.db2.gz BVYXAOIFAUMJRF-NQIIRXRSSA-N 1 0 304.437 4.368 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC001461439728 1063505218 /nfs/dbraw/zinc/50/52/18/1063505218.db2.gz QLMKTPNDJRTDAN-DOMZBBRYSA-N 1 0 321.262 4.379 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)CCC=C(C)C)CC2 ZINC001258092895 1063514452 /nfs/dbraw/zinc/51/44/52/1063514452.db2.gz MPIIIXZRBNCCHK-QUCCMNQESA-N 1 0 318.505 4.154 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCC=C(C)C)CC2 ZINC001258092894 1063515184 /nfs/dbraw/zinc/51/51/84/1063515184.db2.gz MPIIIXZRBNCCHK-ICSRJNTNSA-N 1 0 318.505 4.154 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001461456934 1063517705 /nfs/dbraw/zinc/51/77/05/1063517705.db2.gz MUWTXYLYCZVHGQ-UHFFFAOYSA-N 1 0 300.358 4.301 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H](C)CCC=C(C)C)CCO2 ZINC001258095012 1063518532 /nfs/dbraw/zinc/51/85/32/1063518532.db2.gz WWBKKBMXVXXFAN-HSALFYBXSA-N 1 0 321.505 4.195 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(Cl)c1 ZINC001461473983 1063527953 /nfs/dbraw/zinc/52/79/53/1063527953.db2.gz GWRZKEKXCVTKMG-UHFFFAOYSA-N 1 0 305.208 4.463 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)cs1 ZINC001461486221 1063531411 /nfs/dbraw/zinc/53/14/11/1063531411.db2.gz QNLDDVSQHNBBHL-HOCLYGCPSA-N 1 0 300.402 4.185 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC001461499039 1063539191 /nfs/dbraw/zinc/53/91/91/1063539191.db2.gz CWOYJYORQURCJH-ZDUSSCGKSA-N 1 0 321.873 4.485 20 30 DIEDRO C[C@H]1C[C@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)C[C@@H](C)C1 ZINC001258167385 1063541141 /nfs/dbraw/zinc/54/11/41/1063541141.db2.gz IQRMIWFMIXUQOL-VQFNDLOPSA-N 1 0 312.457 4.226 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258224139 1063566696 /nfs/dbraw/zinc/56/66/96/1063566696.db2.gz AMWTYJHVVSXQQP-BEFAXECRSA-N 1 0 323.477 4.250 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC001258228086 1063567412 /nfs/dbraw/zinc/56/74/12/1063567412.db2.gz CXKVOLWYHUSBDU-WOJBJXKFSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001258228251 1063567723 /nfs/dbraw/zinc/56/77/23/1063567723.db2.gz FMBNENAMFIWRFB-ROUUACIJSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001258228804 1063568643 /nfs/dbraw/zinc/56/86/43/1063568643.db2.gz KBIKTARYDCJCAW-MSOLQXFVSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001258229968 1063569248 /nfs/dbraw/zinc/56/92/48/1063569248.db2.gz WEADPZDAWGRGLQ-PKOBYXMFSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001258229988 1063569528 /nfs/dbraw/zinc/56/95/28/1063569528.db2.gz WVCJAPDWRWQGSZ-RCCFBDPRSA-N 1 0 308.510 4.211 20 30 DIEDRO CCCCCCCCC[C@@H](C)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001258228635 1063569880 /nfs/dbraw/zinc/56/98/80/1063569880.db2.gz IXVKOUFFYSUHSA-IAGOWNOFSA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001258230656 1063571048 /nfs/dbraw/zinc/57/10/48/1063571048.db2.gz ZZXNCHJPSYZGCP-AEFFLSMTSA-N 1 0 321.509 4.153 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC(N2CCOC2=O)CC1 ZINC001258232262 1063571283 /nfs/dbraw/zinc/57/12/83/1063571283.db2.gz HIBUFJHOOOYVIC-QGZVFWFLSA-N 1 0 324.509 4.432 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]Cc1cn(CCOC)cn1 ZINC001258231451 1063571352 /nfs/dbraw/zinc/57/13/52/1063571352.db2.gz OLYYUDAMPVQNTA-KRWDZBQOSA-N 1 0 309.498 4.148 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258231821 1063571879 /nfs/dbraw/zinc/57/18/79/1063571879.db2.gz VEPNCCXQLQXYIN-HNNXBMFYSA-N 1 0 323.477 4.465 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001258232599 1063572054 /nfs/dbraw/zinc/57/20/54/1063572054.db2.gz XIXAWJBRFBPBLD-QGZVFWFLSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001258232302 1063572595 /nfs/dbraw/zinc/57/25/95/1063572595.db2.gz JDZLNEHCRYWLSQ-QGZVFWFLSA-N 1 0 322.493 4.294 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001258232377 1063572659 /nfs/dbraw/zinc/57/26/59/1063572659.db2.gz PNDGXNWBJJMBBD-CEXWTWQISA-N 1 0 322.537 4.458 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1CCCCCCC1)CCO2 ZINC001258243614 1063580334 /nfs/dbraw/zinc/58/03/34/1063580334.db2.gz VBMSBCHRRRVAES-AZUAARDMSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461572078 1063586967 /nfs/dbraw/zinc/58/69/67/1063586967.db2.gz ZYBRWOBMZLFJTO-SFHVURJKSA-N 1 0 312.432 4.169 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC001461571521 1063587035 /nfs/dbraw/zinc/58/70/35/1063587035.db2.gz SGWPKZNCEVCWOX-OXJNMPFZSA-N 1 0 307.437 4.287 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)cc(OC)c1O ZINC001461581361 1063591052 /nfs/dbraw/zinc/59/10/52/1063591052.db2.gz RMNXKTSMSBLRML-VYDXJSESSA-N 1 0 317.473 4.434 20 30 DIEDRO Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC001461591273 1063600608 /nfs/dbraw/zinc/60/06/08/1063600608.db2.gz LCFXDSVAZYHZOG-VQTJNVASSA-N 1 0 320.436 4.356 20 30 DIEDRO C[C@H](CC(C)(C)SCc1ccco1)[NH+]1CCC(S)CC1 ZINC001258314423 1063606865 /nfs/dbraw/zinc/60/68/65/1063606865.db2.gz TZIMIYDFDMCERO-CYBMUJFWSA-N 1 0 313.532 4.464 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O ZINC001461622091 1063619536 /nfs/dbraw/zinc/61/95/36/1063619536.db2.gz SUWPKAZBMGMXTB-HUUCEWRRSA-N 1 0 317.473 4.291 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001461628464 1063623202 /nfs/dbraw/zinc/62/32/02/1063623202.db2.gz GQBZEMUHVFDEQD-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+]C23CCC(C#N)(CC2)CC3)cc1 ZINC001258392828 1063635028 /nfs/dbraw/zinc/63/50/28/1063635028.db2.gz GSFXRYMQGOPLMO-DZIBYMRMSA-N 1 0 312.457 4.222 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC23CCCCC3)ccc1OC ZINC001461661568 1063643402 /nfs/dbraw/zinc/64/34/02/1063643402.db2.gz GHADTDLKILYNLU-IBGZPJMESA-N 1 0 315.457 4.463 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C1CCN(c2cccc(F)c2)CC1 ZINC001258425188 1063648155 /nfs/dbraw/zinc/64/81/55/1063648155.db2.gz DKPOVBLGKMWUSF-UHFFFAOYSA-N 1 0 324.443 4.483 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001461676610 1063652710 /nfs/dbraw/zinc/65/27/10/1063652710.db2.gz RCRADBAYJBUIAK-UHFFFAOYSA-N 1 0 309.837 4.193 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001461676886 1063653062 /nfs/dbraw/zinc/65/30/62/1063653062.db2.gz RNWFKJVTGBGIMM-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001461676497 1063653111 /nfs/dbraw/zinc/65/31/11/1063653111.db2.gz PLNWGUJTBAJKNC-IAGOWNOFSA-N 1 0 309.494 4.471 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H](CC)CCCCC)C2 ZINC001258439379 1063653156 /nfs/dbraw/zinc/65/31/56/1063653156.db2.gz JCIPOGDIHAZNKA-UYAOXDASSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@H](CC)CCCCC)C2)CC1 ZINC001258437188 1063654474 /nfs/dbraw/zinc/65/44/74/1063654474.db2.gz XAFFNZKXHWHPMU-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](CC)CCCCC)CC2 ZINC001258441396 1063656977 /nfs/dbraw/zinc/65/69/77/1063656977.db2.gz KBJQSZOEVSHATL-AZUAARDMSA-N 1 0 320.521 4.378 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc3ccccc3s1)C2 ZINC001461705932 1063670244 /nfs/dbraw/zinc/67/02/44/1063670244.db2.gz URVAGEZIMWLYCE-KRWDZBQOSA-N 1 0 304.418 4.030 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CCCOC2)cc1Cl ZINC001461710869 1063674369 /nfs/dbraw/zinc/67/43/69/1063674369.db2.gz PMPPSIILQKTEAI-NVXWUHKLSA-N 1 0 323.864 4.200 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CCCC1 ZINC001461717041 1063676371 /nfs/dbraw/zinc/67/63/71/1063676371.db2.gz QKYKYSPKOZSEIZ-UHFFFAOYSA-N 1 0 323.411 4.440 20 30 DIEDRO C[C@H](CC#N)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001461725309 1063679661 /nfs/dbraw/zinc/67/96/61/1063679661.db2.gz XPCIIMKMTDGQMO-CYBMUJFWSA-N 1 0 302.462 4.379 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC=C)c(Cl)c2)CC1 ZINC001461730907 1063683780 /nfs/dbraw/zinc/68/37/80/1063683780.db2.gz UJQGTAFTONIQRT-KOMQPUFPSA-N 1 0 303.833 4.186 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC001461743287 1063690933 /nfs/dbraw/zinc/69/09/33/1063690933.db2.gz XVPKXVRNAWTJFZ-UHFFFAOYSA-N 1 0 309.837 4.193 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258562365 1063694065 /nfs/dbraw/zinc/69/40/65/1063694065.db2.gz HQZNFZAFHYTGOZ-OAHLLOKOSA-N 1 0 310.482 4.063 20 30 DIEDRO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001258657862 1063727349 /nfs/dbraw/zinc/72/73/49/1063727349.db2.gz VEIHJVWMSRILEG-NRFANRHFSA-N 1 0 304.437 4.328 20 30 DIEDRO CCC[C@H](Cc1ccccc1)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001258657863 1063728817 /nfs/dbraw/zinc/72/88/17/1063728817.db2.gz VEIHJVWMSRILEG-OAQYLSRUSA-N 1 0 304.437 4.328 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H](CCC)CCCCC)C2)C1=O ZINC001258670135 1063736675 /nfs/dbraw/zinc/73/66/75/1063736675.db2.gz YEHAROAMFLFIBW-AZUAARDMSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1C[C@@H](C)CC(C)(C)C1)C2 ZINC001258698607 1063758364 /nfs/dbraw/zinc/75/83/64/1063758364.db2.gz RGMCHCWSADUXPR-FTEYMNFISA-N 1 0 321.505 4.027 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)NC1(C#N)CC[NH+](C)CC1 ZINC001258714660 1063770030 /nfs/dbraw/zinc/77/00/30/1063770030.db2.gz SPELFZSNDOXXPM-SFHVURJKSA-N 1 0 307.526 4.339 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC001461878977 1063770001 /nfs/dbraw/zinc/77/00/01/1063770001.db2.gz BWBGDMGUCDOVKB-ZWKOTPCHSA-N 1 0 318.436 4.113 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@H]1CCN(C(C)=O)C1 ZINC001258714649 1063771107 /nfs/dbraw/zinc/77/11/07/1063771107.db2.gz SJBLVBGWDBEWDS-MOPGFXCFSA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCN(CCC#N)CC1 ZINC001258713678 1063771509 /nfs/dbraw/zinc/77/15/09/1063771509.db2.gz BAGJDTDHDKDWLV-LJQANCHMSA-N 1 0 307.526 4.293 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)NC1(C#N)CC[NH+](C)CC1 ZINC001258714659 1063771674 /nfs/dbraw/zinc/77/16/74/1063771674.db2.gz SPELFZSNDOXXPM-GOSISDBHSA-N 1 0 307.526 4.339 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001258717259 1063772171 /nfs/dbraw/zinc/77/21/71/1063772171.db2.gz NTWFWTIJIRBDEC-IKGGRYGDSA-N 1 0 324.509 4.214 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258716976 1063772546 /nfs/dbraw/zinc/77/25/46/1063772546.db2.gz IZXDUDPYLZHIND-CVEARBPZSA-N 1 0 322.493 4.110 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]Cc1cncn1CCOC ZINC001258716169 1063773235 /nfs/dbraw/zinc/77/32/35/1063773235.db2.gz UKFUKXRGGUGHTI-GOSISDBHSA-N 1 0 323.525 4.394 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]Cc1cncn1CCOC ZINC001258716170 1063773337 /nfs/dbraw/zinc/77/33/37/1063773337.db2.gz UKFUKXRGGUGHTI-SFHVURJKSA-N 1 0 323.525 4.394 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001258717239 1063773344 /nfs/dbraw/zinc/77/33/44/1063773344.db2.gz KTBXAQOXZIVRDL-YJBOKZPZSA-N 1 0 306.881 4.421 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001258716569 1063773555 /nfs/dbraw/zinc/77/35/55/1063773555.db2.gz BCLXWAZVWRPKOV-NVXWUHKLSA-N 1 0 318.461 4.197 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cncn1Cc1cccc(Cl)c1 ZINC001258723138 1063776451 /nfs/dbraw/zinc/77/64/51/1063776451.db2.gz SAGOZJSCNNVQLZ-AWEZNQCLSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC001258722045 1063777010 /nfs/dbraw/zinc/77/70/10/1063777010.db2.gz BEYRFIBDCWAJNI-CQSZACIVSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC001258721354 1063777394 /nfs/dbraw/zinc/77/73/94/1063777394.db2.gz SUWYUYKURGZNAU-LRDDRELGSA-N 1 0 308.263 4.251 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cn(Cc2cccc(Cl)c2)cn1 ZINC001258724344 1063778569 /nfs/dbraw/zinc/77/85/69/1063778569.db2.gz URGXLJQJCHMFPJ-AWEZNQCLSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC1(Cc2cccc(F)c2)CCOCC1 ZINC001258724037 1063778901 /nfs/dbraw/zinc/77/89/01/1063778901.db2.gz LPRPSWGPVVJNDT-INIZCTEOSA-N 1 0 305.437 4.109 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](c1nc2ccccc2n1C)c1cccnc1 ZINC001258725268 1063779109 /nfs/dbraw/zinc/77/91/09/1063779109.db2.gz INBQFSCSJUIURL-BEFAXECRSA-N 1 0 320.440 4.002 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(Oc2ccc(C)cc2OC)CC1 ZINC001258732587 1063780448 /nfs/dbraw/zinc/78/04/48/1063780448.db2.gz NUDUZTPWVDEAEO-INIZCTEOSA-N 1 0 303.446 4.202 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001258731011 1063781589 /nfs/dbraw/zinc/78/15/89/1063781589.db2.gz TYJUCBABCSSTCW-FXAWDEMLSA-N 1 0 316.464 4.221 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001258730775 1063782237 /nfs/dbraw/zinc/78/22/37/1063782237.db2.gz NSCJSDXIFKPPJI-OAHLLOKOSA-N 1 0 321.424 4.348 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001258735586 1063784453 /nfs/dbraw/zinc/78/44/53/1063784453.db2.gz XGSHXIIRIFRHCH-SFHVURJKSA-N 1 0 300.490 4.328 20 30 DIEDRO C=CCC[C@H](C)[N@@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734322 1063784621 /nfs/dbraw/zinc/78/46/21/1063784621.db2.gz WXTWNPKOJBTCML-HOTGVXAUSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[C@@H](C)[N@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001258736252 1063784710 /nfs/dbraw/zinc/78/47/10/1063784710.db2.gz PIXVROZFJFERNO-MRXNPFEDSA-N 1 0 304.453 4.077 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001258734069 1063784962 /nfs/dbraw/zinc/78/49/62/1063784962.db2.gz QWPJJMPMGILFQB-MRXNPFEDSA-N 1 0 324.509 4.453 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC2(CC1)CC(=O)c1cc(C)ccc1O2 ZINC001258733303 1063785053 /nfs/dbraw/zinc/78/50/53/1063785053.db2.gz YTNDFRLZSSIZLP-MRXNPFEDSA-N 1 0 313.441 4.150 20 30 DIEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H](CCC)CCCC)CC2 ZINC001258760183 1063804427 /nfs/dbraw/zinc/80/44/27/1063804427.db2.gz KNIBPUXXLZOSCC-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO C#Cc1ccc(C[N@H+](C)CCCOc2ccc(Cl)cc2)cc1 ZINC001461937907 1063822850 /nfs/dbraw/zinc/82/28/50/1063822850.db2.gz QWOYINSPOAZFKV-UHFFFAOYSA-N 1 0 313.828 4.222 20 30 DIEDRO CC[N@H+](Cc1cnn(CC2CCC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001461952830 1063836431 /nfs/dbraw/zinc/83/64/31/1063836431.db2.gz DPLAJKVOPURALU-INIZCTEOSA-N 1 0 322.456 4.138 20 30 DIEDRO CC[C@@H](Cc1ccccc1)n1cc(CC[NH3+])c2cc(C#N)ccc21 ZINC001258839518 1063859823 /nfs/dbraw/zinc/85/98/23/1063859823.db2.gz FKRWRSPZLJQJCF-IBGZPJMESA-N 1 0 317.436 4.208 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(OCC)c(F)c1)[C@@H]1CCc2ccccc21 ZINC001461986930 1063860122 /nfs/dbraw/zinc/86/01/22/1063860122.db2.gz GEMWXZJSTRZUNC-HXUWFJFHSA-N 1 0 323.411 4.347 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001258856881 1063867760 /nfs/dbraw/zinc/86/77/60/1063867760.db2.gz QGRDKLFJYPWDIG-HNNXBMFYSA-N 1 0 323.477 4.203 20 30 DIEDRO CC[NH+](CC)CCC[C@H](C)N[C@](C)(C#N)c1ccccc1Cl ZINC001258900320 1063874628 /nfs/dbraw/zinc/87/46/28/1063874628.db2.gz JANXJZOXIMUSCP-MAUKXSAKSA-N 1 0 321.896 4.179 20 30 DIEDRO C=C1CCC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC001264790612 1064134396 /nfs/dbraw/zinc/13/43/96/1064134396.db2.gz MBDYATAVTFTWIN-UHFFFAOYSA-N 1 0 312.457 4.010 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000701891191 1064271867 /nfs/dbraw/zinc/27/18/67/1064271867.db2.gz ODDXMOQLSHSNQM-MRXNPFEDSA-N 1 0 322.290 4.498 20 30 DIEDRO C=CCCC[NH+]1CCC2(CC[C@@H](C(=O)N(CC)C(C)C)C2)CC1 ZINC001280119933 1064380550 /nfs/dbraw/zinc/38/05/50/1064380550.db2.gz AAYGGVPJYFGSPF-GOSISDBHSA-N 1 0 320.521 4.092 20 30 DIEDRO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCCCC#N ZINC001280186828 1064383743 /nfs/dbraw/zinc/38/37/43/1064383743.db2.gz VXSNKEAZHRBWSC-QYZOEREBSA-N 1 0 305.510 4.045 20 30 DIEDRO CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCC#N ZINC001280181835 1064383882 /nfs/dbraw/zinc/38/38/82/1064383882.db2.gz XPVGWROQXMARLB-MVCQKVDPSA-N 1 0 305.510 4.092 20 30 DIEDRO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCCCC#N ZINC001280186826 1064384577 /nfs/dbraw/zinc/38/45/77/1064384577.db2.gz VXSNKEAZHRBWSC-FHWLQOOXSA-N 1 0 305.510 4.045 20 30 DIEDRO C=CC1(CC(=O)NCC2([NH+](C)C)CCCCCC2)CCCCC1 ZINC001290227530 1064685480 /nfs/dbraw/zinc/68/54/80/1064685480.db2.gz GQFZMKOYIVKCEO-UHFFFAOYSA-N 1 0 320.521 4.284 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCC[C@H]1CC)C(C)C ZINC001292958609 1064794224 /nfs/dbraw/zinc/79/42/24/1064794224.db2.gz XSWDIJVVTXAWRZ-GUDVDZBRSA-N 1 0 320.521 4.018 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC001296025787 1064934593 /nfs/dbraw/zinc/93/45/93/1064934593.db2.gz VAPPXCDHPCMQLF-KRWDZBQOSA-N 1 0 322.452 4.039 20 30 DIEDRO C=CCCC1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001306874549 1065197477 /nfs/dbraw/zinc/19/74/77/1065197477.db2.gz HHMPEDSNXIDFMK-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC001306914592 1065202881 /nfs/dbraw/zinc/20/28/81/1065202881.db2.gz JNSYXOOTXCJTLD-HXUWFJFHSA-N 1 0 323.415 4.255 20 30 DIEDRO C#CC[N@@H+](CCc1ccc(CC)cc1)[C@@H]1CCc2ccccc21 ZINC001307430000 1065391790 /nfs/dbraw/zinc/39/17/90/1065391790.db2.gz RXYQHWBBNMZRSE-JOCHJYFZSA-N 1 0 303.449 4.414 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1F ZINC001307438788 1065399611 /nfs/dbraw/zinc/39/96/11/1065399611.db2.gz WDHKQYZWPDAUGO-UHFFFAOYSA-N 1 0 302.418 4.417 20 30 DIEDRO CCC[N@H+](Cc1ccccc1Br)[C@H]1CC[C@H](C#N)C1 ZINC001307438523 1065400101 /nfs/dbraw/zinc/40/01/01/1065400101.db2.gz UTECRWNQRYMJBX-ZFWWWQNUSA-N 1 0 321.262 4.353 20 30 DIEDRO C[N@H+](CCCOc1cccc(C#N)c1)CCC1CCCCC1 ZINC001307444912 1065403947 /nfs/dbraw/zinc/40/39/47/1065403947.db2.gz NKRZTYBSNWQVPP-UHFFFAOYSA-N 1 0 300.446 4.229 20 30 DIEDRO C=C(C)CC[N@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC001307450844 1065409505 /nfs/dbraw/zinc/40/95/05/1065409505.db2.gz OXVIHDKUPVSRME-GOSISDBHSA-N 1 0 317.473 4.457 20 30 DIEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001307459132 1065412810 /nfs/dbraw/zinc/41/28/10/1065412810.db2.gz MCQGMMKRMZSAIM-HXUWFJFHSA-N 1 0 323.411 4.413 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC001307462266 1065415987 /nfs/dbraw/zinc/41/59/87/1065415987.db2.gz PEZOXSSYPCDIME-QGZVFWFLSA-N 1 0 307.865 4.412 20 30 DIEDRO CCCCCCC[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC001307462933 1065416017 /nfs/dbraw/zinc/41/60/17/1065416017.db2.gz YCQXXJRBBFKKLP-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CC[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)CC1CCCCC1 ZINC001307469893 1065419393 /nfs/dbraw/zinc/41/93/93/1065419393.db2.gz HIYKEYVAUHNSEP-GJZGRUSLSA-N 1 0 305.384 4.165 20 30 DIEDRO C[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1C ZINC001307488574 1065431923 /nfs/dbraw/zinc/43/19/23/1065431923.db2.gz DDAAKGMWZZWEHY-ZIAGYGMSSA-N 1 0 311.347 4.057 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001307495114 1065439840 /nfs/dbraw/zinc/43/98/40/1065439840.db2.gz AIVJYGKSAXJUDN-DJJJIMSYSA-N 1 0 312.363 4.420 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@H]1c1cccn1C ZINC001307524721 1065461614 /nfs/dbraw/zinc/46/16/14/1065461614.db2.gz WSFBZZSSNAPGBC-FQEVSTJZSA-N 1 0 307.441 4.241 20 30 DIEDRO C=CCCC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC001307560480 1065482471 /nfs/dbraw/zinc/48/24/71/1065482471.db2.gz KNLZFSQXSCBCHM-UHFFFAOYSA-N 1 0 309.453 4.427 20 30 DIEDRO Cc1cccc(C2([NH2+]CCOc3cccc(C#N)c3)CCCC2)c1 ZINC001307575984 1065490842 /nfs/dbraw/zinc/49/08/42/1065490842.db2.gz MUYZJVREYPGDKM-UHFFFAOYSA-N 1 0 320.436 4.305 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC001307613636 1065516829 /nfs/dbraw/zinc/51/68/29/1065516829.db2.gz QKIMXDJLARJMSX-AWEZNQCLSA-N 1 0 312.251 4.281 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC001307614820 1065519097 /nfs/dbraw/zinc/51/90/97/1065519097.db2.gz MXKFIGRYTIWVFY-HXUWFJFHSA-N 1 0 313.441 4.082 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H]1Cc2cc(OC)ccc2O1)c1ccccc1 ZINC001307627327 1065526391 /nfs/dbraw/zinc/52/63/91/1065526391.db2.gz SWOWVCVAEDIKNO-WOJBJXKFSA-N 1 0 323.436 4.296 20 30 DIEDRO C#CC[C@H]([NH2+]CCSc1cccc(OC)c1)c1ccccc1 ZINC001307633083 1065530172 /nfs/dbraw/zinc/53/01/72/1065530172.db2.gz OHGPJKHIFYPVCJ-IBGZPJMESA-N 1 0 311.450 4.142 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC001307637426 1065534827 /nfs/dbraw/zinc/53/48/27/1065534827.db2.gz ZAALPAIGXSZTJO-HXUWFJFHSA-N 1 0 320.436 4.458 20 30 DIEDRO C=CCCCC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001307649582 1065540810 /nfs/dbraw/zinc/54/08/10/1065540810.db2.gz GDWFEGJPGBOBGW-INIZCTEOSA-N 1 0 311.372 4.018 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cc(Cl)c(C)cc1Br ZINC001307688532 1065563830 /nfs/dbraw/zinc/56/38/30/1065563830.db2.gz OVLOTUITNNVJRD-UHFFFAOYSA-N 1 0 302.643 4.419 20 30 DIEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001307691519 1065566089 /nfs/dbraw/zinc/56/60/89/1065566089.db2.gz SUMMMLFZTYVTDL-PBHICJAKSA-N 1 0 315.417 4.161 20 30 DIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001307697277 1065568570 /nfs/dbraw/zinc/56/85/70/1065568570.db2.gz RZZXEUVBSCTQJJ-HOTGVXAUSA-N 1 0 308.878 4.366 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1C ZINC001307703508 1065572148 /nfs/dbraw/zinc/57/21/48/1065572148.db2.gz VBNIBEIBRMETMN-TYNCELHUSA-N 1 0 308.372 4.074 20 30 DIEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001307705976 1065575910 /nfs/dbraw/zinc/57/59/10/1065575910.db2.gz KIPMEVUEIOZMCE-MAUKXSAKSA-N 1 0 300.446 4.132 20 30 DIEDRO CCCCCCC[N@@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC001307728270 1065588621 /nfs/dbraw/zinc/58/86/21/1065588621.db2.gz KFBADFFSBPEMBD-ROUUACIJSA-N 1 0 303.446 4.336 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC[C@H](c3cccc(F)c3)C2)CCC1 ZINC001307727620 1065589822 /nfs/dbraw/zinc/58/98/22/1065589822.db2.gz CSNJFLJIXVUMGH-KRWDZBQOSA-N 1 0 300.421 4.479 20 30 DIEDRO C=CC[C@@H]1[N@H+](CCC(=O)N(C)c2ccccc2)CCCC1(C)C ZINC001307730197 1065591657 /nfs/dbraw/zinc/59/16/57/1065591657.db2.gz UZEVLILNLXXEEO-SFHVURJKSA-N 1 0 314.473 4.106 20 30 DIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC1CCC(C#N)CC1 ZINC001307736658 1065593071 /nfs/dbraw/zinc/59/30/71/1065593071.db2.gz OUDYXLNDAFWVPP-JTTJXQCZSA-N 1 0 320.864 4.289 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cccc2nsnc21 ZINC001307740417 1065596075 /nfs/dbraw/zinc/59/60/75/1065596075.db2.gz GWXHVIZXIHWEFB-UHFFFAOYSA-N 1 0 309.438 4.270 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001307742639 1065599436 /nfs/dbraw/zinc/59/94/36/1065599436.db2.gz REGCGAXQAWWIAE-FHWLQOOXSA-N 1 0 311.510 4.395 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2C)C12CCCCC2 ZINC001307743394 1065601362 /nfs/dbraw/zinc/60/13/62/1065601362.db2.gz GHKCSGMSELUIIJ-RBUKOAKNSA-N 1 0 312.457 4.084 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CCCCC2(C#N)CCC2)[C@H](C)[C@@H]1OC ZINC001307746458 1065602891 /nfs/dbraw/zinc/60/28/91/1065602891.db2.gz UFSAGDHINGLCTP-BBWFWOEESA-N 1 0 306.494 4.280 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C12CCCC2 ZINC001307753078 1065606314 /nfs/dbraw/zinc/60/63/14/1065606314.db2.gz SXWFVRPSGSMQQT-ROUUACIJSA-N 1 0 317.860 4.019 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC001307752197 1065606395 /nfs/dbraw/zinc/60/63/95/1065606395.db2.gz MYGYTGIBDQMPKX-ATCWAGBWSA-N 1 0 321.262 4.235 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1cc(C#N)ccn1)C1CCCC1 ZINC001307755153 1065607698 /nfs/dbraw/zinc/60/76/98/1065607698.db2.gz XVZDHOOSPPUIFP-INIZCTEOSA-N 1 0 305.425 4.459 20 30 DIEDRO C=C(Cl)C[NH2+][C@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC001307769587 1065613636 /nfs/dbraw/zinc/61/36/36/1065613636.db2.gz GLDSSLXRZOYFDO-CYBMUJFWSA-N 1 0 307.743 4.125 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC001307781083 1065617154 /nfs/dbraw/zinc/61/71/54/1065617154.db2.gz DJYSSIJFNLZADS-INIZCTEOSA-N 1 0 313.363 4.256 20 30 DIEDRO N#CC1(CC[N@H+]2CC[C@@H](c3ccccc3F)C2)CCCCC1 ZINC001307791223 1065620914 /nfs/dbraw/zinc/62/09/14/1065620914.db2.gz MBTGSCFZNGCRTA-MRXNPFEDSA-N 1 0 300.421 4.479 20 30 DIEDRO CC(C)[N@H+](CCOc1cccc(C#N)c1)[C@H](C)c1ccsc1 ZINC001307855307 1065653816 /nfs/dbraw/zinc/65/38/16/1065653816.db2.gz RLBDUIHBXFPRSG-OAHLLOKOSA-N 1 0 314.454 4.470 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1c[nH]c(=O)c2ccccc12 ZINC001307861823 1065658872 /nfs/dbraw/zinc/65/88/72/1065658872.db2.gz YJQBNTNDQIIXIP-AWEZNQCLSA-N 1 0 317.392 4.005 20 30 DIEDRO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC(C)(C)C ZINC001307874330 1065664589 /nfs/dbraw/zinc/66/45/89/1065664589.db2.gz MNAFHTFVTURVNT-UHFFFAOYSA-N 1 0 313.363 4.305 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC001307878026 1065664860 /nfs/dbraw/zinc/66/48/60/1065664860.db2.gz OIJZNMHDKWNNOO-KRWDZBQOSA-N 1 0 323.411 4.250 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC001307898675 1065671298 /nfs/dbraw/zinc/67/12/98/1065671298.db2.gz ADTDHHUYGFWFDX-HXUWFJFHSA-N 1 0 300.405 4.452 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C ZINC001307925231 1065684493 /nfs/dbraw/zinc/68/44/93/1065684493.db2.gz YLLDCUMVTNVMIZ-JKSUJKDBSA-N 1 0 320.502 4.336 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC001307924506 1065684611 /nfs/dbraw/zinc/68/46/11/1065684611.db2.gz RKCRJLHSZARAPF-DOTOQJQBSA-N 1 0 311.429 4.270 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001307925902 1065684679 /nfs/dbraw/zinc/68/46/79/1065684679.db2.gz YJPAPWDRJWOWJQ-UHFFFAOYSA-N 1 0 304.437 4.203 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(Cl)cc1F)c1cccc(C#N)c1 ZINC001307924932 1065684739 /nfs/dbraw/zinc/68/47/39/1065684739.db2.gz YANPSLMDLKRDIH-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC001307924508 1065685009 /nfs/dbraw/zinc/68/50/09/1065685009.db2.gz RKCRJLHSZARAPF-RDJZCZTQSA-N 1 0 311.429 4.270 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001307923181 1065685204 /nfs/dbraw/zinc/68/52/04/1065685204.db2.gz FOBJFNQLNKYBLY-SWLSCSKDSA-N 1 0 308.809 4.473 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCCC[C@H]2CC2CCC2)cc1 ZINC001307950902 1065696936 /nfs/dbraw/zinc/69/69/36/1065696936.db2.gz ABQQNGACQFUXCX-IBGZPJMESA-N 1 0 312.457 4.372 20 30 DIEDRO CC(C)(C)SCCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001307974564 1065706279 /nfs/dbraw/zinc/70/62/79/1065706279.db2.gz AUFYZSQEGXYQPG-UHFFFAOYSA-N 1 0 302.487 4.033 20 30 DIEDRO CCC#C[C@H](C)[NH2+]C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC001307991755 1065714967 /nfs/dbraw/zinc/71/49/67/1065714967.db2.gz VNUAYZNEBZUKJJ-INIZCTEOSA-N 1 0 323.436 4.185 20 30 DIEDRO C=CCC1([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CCCCC1 ZINC001308002980 1065720573 /nfs/dbraw/zinc/72/05/73/1065720573.db2.gz OMMLTLJQYFDNQO-QGZVFWFLSA-N 1 0 307.865 4.112 20 30 DIEDRO N#Cc1ccc(CC[NH+]2CCC(c3cccc(F)c3)CC2)cc1 ZINC001308051414 1065743016 /nfs/dbraw/zinc/74/30/16/1065743016.db2.gz WSLABBJHEIABOI-UHFFFAOYSA-N 1 0 308.400 4.119 20 30 DIEDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001308098993 1065763349 /nfs/dbraw/zinc/76/33/49/1065763349.db2.gz NIPTVEYWJHJRKT-UWJYYQICSA-N 1 0 320.436 4.357 20 30 DIEDRO C#CC[N@@H+](C[C@@H](OC)C1CCCC1)[C@H]1CCCc2ccccc21 ZINC001308104728 1065764098 /nfs/dbraw/zinc/76/40/98/1065764098.db2.gz TZTGCCCAKLDOQQ-LEWJYISDSA-N 1 0 311.469 4.204 20 30 DIEDRO N#Cc1ccc([C@H]2C[N@H+](CCC3CCCCCC3)CCO2)cc1 ZINC001308114708 1065767076 /nfs/dbraw/zinc/76/70/76/1065767076.db2.gz QFVHBFRPHSFWMM-HXUWFJFHSA-N 1 0 312.457 4.292 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1F ZINC001308122722 1065771107 /nfs/dbraw/zinc/77/11/07/1065771107.db2.gz QCMKWNQYYNRBHA-TZZQJPOUSA-N 1 0 306.384 4.375 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1Cl)OCCO2 ZINC001308135582 1065774585 /nfs/dbraw/zinc/77/45/85/1065774585.db2.gz HSOKXQDLKMHNNG-CQSZACIVSA-N 1 0 307.821 4.042 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cc(F)ccc1Br ZINC001308133713 1065774705 /nfs/dbraw/zinc/77/47/05/1065774705.db2.gz KBCGUJAOWMLTML-UHFFFAOYSA-N 1 0 300.215 4.376 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1Cl ZINC001308135797 1065776053 /nfs/dbraw/zinc/77/60/53/1065776053.db2.gz JOMGNRUKASXWCE-OAHLLOKOSA-N 1 0 307.821 4.057 20 30 DIEDRO N#CC1(CC[N@@H+]2CCO[C@H](c3ccccc3)CC2)CCCCC1 ZINC001308159162 1065785807 /nfs/dbraw/zinc/78/58/07/1065785807.db2.gz AZRRDBZQZJOHCG-IBGZPJMESA-N 1 0 312.457 4.314 20 30 DIEDRO CCCCCCC[NH2+]C1CCN(C(=O)c2ccccc2C)CC1 ZINC001308184836 1065795913 /nfs/dbraw/zinc/79/59/13/1065795913.db2.gz RFBUYKBLWIVZRE-UHFFFAOYSA-N 1 0 316.489 4.160 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C/C=C\c2cc(C)c(C)cc2C)CC1 ZINC001308246800 1065852742 /nfs/dbraw/zinc/85/27/42/1065852742.db2.gz GCNZJFHWAZZIBT-SREVYHEPSA-N 1 0 312.501 4.255 20 30 DIEDRO C[C@H](C[NH2+]Cc1cccc(OCC#N)c1)CC1CCCCC1 ZINC001308265586 1065866312 /nfs/dbraw/zinc/86/63/12/1065866312.db2.gz HFECBZNHLWGZQW-INIZCTEOSA-N 1 0 300.446 4.285 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC001308265975 1065866655 /nfs/dbraw/zinc/86/66/55/1065866655.db2.gz HURAGBRDPQCQHW-ZBFHGGJFSA-N 1 0 308.263 4.326 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC001308271628 1065870051 /nfs/dbraw/zinc/87/00/51/1065870051.db2.gz WJCVVBJBLGCBNQ-UHFFFAOYSA-N 1 0 306.409 4.331 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC001308271933 1065870087 /nfs/dbraw/zinc/87/00/87/1065870087.db2.gz NAOBPXKPDGHVEO-UHFFFAOYSA-N 1 0 313.466 4.347 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)C1 ZINC001308271912 1065871055 /nfs/dbraw/zinc/87/10/55/1065871055.db2.gz MFPKNQOKWZEYHJ-NEWSRXKRSA-N 1 0 316.464 4.437 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC001308274828 1065873882 /nfs/dbraw/zinc/87/38/82/1065873882.db2.gz NRAPZAIXLFVOJU-ICSRJNTNSA-N 1 0 304.437 4.209 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001308345879 1065929535 /nfs/dbraw/zinc/92/95/35/1065929535.db2.gz POTZQZUUKFIVIH-OAHLLOKOSA-N 1 0 303.446 4.476 20 30 DIEDRO C=CCCOCC[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC001308360537 1065939827 /nfs/dbraw/zinc/93/98/27/1065939827.db2.gz IRVIZDNJFANYGN-UHFFFAOYSA-N 1 0 301.455 4.406 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)C2CCC2)cc1OC ZINC001308362846 1065940048 /nfs/dbraw/zinc/94/00/48/1065940048.db2.gz UMHQHNVJYTUAEF-LBPRGKRZSA-N 1 0 309.837 4.192 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1sc2c(cccc2Cl)c1C)[C@H]1CCCO1 ZINC001308378397 1065951303 /nfs/dbraw/zinc/95/13/03/1065951303.db2.gz XFKJEGUMRVVSAG-HUUCEWRRSA-N 1 0 319.857 4.134 20 30 DIEDRO C=CCCCCCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001308399115 1065963231 /nfs/dbraw/zinc/96/32/31/1065963231.db2.gz OSOWFFMRQVOKLK-QUCCMNQESA-N 1 0 300.490 4.233 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001308399113 1065963643 /nfs/dbraw/zinc/96/36/43/1065963643.db2.gz OSOWFFMRQVOKLK-AZUAARDMSA-N 1 0 300.490 4.233 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](COC)c2ccc(Cl)cc2)C1 ZINC001308409593 1065968498 /nfs/dbraw/zinc/96/84/98/1065968498.db2.gz TXTUNYBKWNHXKT-HFTRVMKXSA-N 1 0 307.865 4.404 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](COC)c2ccc(Cl)cc2)C1 ZINC001308409594 1065970290 /nfs/dbraw/zinc/97/02/90/1065970290.db2.gz TXTUNYBKWNHXKT-KYJSFNMBSA-N 1 0 307.865 4.404 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC[C@@H]3CCc4ccccc43)cc2)CC1 ZINC001308420184 1065976521 /nfs/dbraw/zinc/97/65/21/1065976521.db2.gz BXRQJWZFOVAEJE-IBGZPJMESA-N 1 0 316.448 4.451 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCc2ccccc2CC1 ZINC001308442546 1065990922 /nfs/dbraw/zinc/99/09/22/1065990922.db2.gz ZRIUAPPQKMWHFL-JOCHJYFZSA-N 1 0 316.448 4.473 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc4scnc4c3)CCC2)cc1 ZINC001308448920 1065995206 /nfs/dbraw/zinc/99/52/06/1065995206.db2.gz PYIVKOVXBUYQEA-UHFFFAOYSA-N 1 0 319.433 4.337 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1Br ZINC001308464163 1066004160 /nfs/dbraw/zinc/00/41/60/1066004160.db2.gz QDPBNIIQIOGOPC-JSGCOSHPSA-N 1 0 309.251 4.069 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2SC)cc1OC ZINC001308453606 1065998917 /nfs/dbraw/zinc/99/89/17/1065998917.db2.gz OFQILDQPWYNHFF-CRAIPNDOSA-N 1 0 321.486 4.024 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1OC ZINC001308457651 1066002028 /nfs/dbraw/zinc/00/20/28/1066002028.db2.gz PNDPDKFDWXVKOZ-SOUVJXGZSA-N 1 0 321.848 4.192 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2c(CC)nn(C)c2CC)CCCC1 ZINC001308463258 1066005284 /nfs/dbraw/zinc/00/52/84/1066005284.db2.gz CHQRTEACGMQICQ-UHFFFAOYSA-N 1 0 303.494 4.161 20 30 DIEDRO CCC(CC)(C[NH2+]Cc1ccc(C#N)cc1F)C(F)(F)F ZINC001308495454 1066028428 /nfs/dbraw/zinc/02/84/28/1066028428.db2.gz ZYFUUFGJOLTKEV-UHFFFAOYSA-N 1 0 302.315 4.156 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(OC)c(OC)cc2SC)CCCC1 ZINC001308467259 1066008535 /nfs/dbraw/zinc/00/85/35/1066008535.db2.gz XTBLHAKBIKOXFQ-UHFFFAOYSA-N 1 0 321.486 4.404 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC001308475898 1066015236 /nfs/dbraw/zinc/01/52/36/1066015236.db2.gz XKCRBGFSUACKQX-UHFFFAOYSA-N 1 0 310.441 4.353 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001308479554 1066018267 /nfs/dbraw/zinc/01/82/67/1066018267.db2.gz LEPUJVUBTLNNEX-LUKYLMHMSA-N 1 0 322.493 4.157 20 30 DIEDRO CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1ccc(C#N)cc1 ZINC001308486332 1066021387 /nfs/dbraw/zinc/02/13/87/1066021387.db2.gz XRLXSFRZYCGNLJ-IBGZPJMESA-N 1 0 317.436 4.161 20 30 DIEDRO CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1ccc(C#N)cc1 ZINC001308486334 1066022128 /nfs/dbraw/zinc/02/21/28/1066022128.db2.gz XRLXSFRZYCGNLJ-LJQANCHMSA-N 1 0 317.436 4.161 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC001308486821 1066022746 /nfs/dbraw/zinc/02/27/46/1066022746.db2.gz QFEZLFLZXYYPPV-UHFFFAOYSA-N 1 0 311.473 4.208 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCCC1 ZINC001308501573 1066030645 /nfs/dbraw/zinc/03/06/45/1066030645.db2.gz SDSCWJGBXZXDGR-UHFFFAOYSA-N 1 0 314.429 4.069 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CCCC1 ZINC001308501971 1066031801 /nfs/dbraw/zinc/03/18/01/1066031801.db2.gz WHIVZTANVYKRME-UHFFFAOYSA-N 1 0 315.420 4.061 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)cc1C#N ZINC001308519158 1066041074 /nfs/dbraw/zinc/04/10/74/1066041074.db2.gz DOPOUCFKKJWTOM-CABCVRRESA-N 1 0 306.500 4.044 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1OC ZINC001308523212 1066045094 /nfs/dbraw/zinc/04/50/94/1066045094.db2.gz OMBBKKXPSQLIIS-OCCSQVGLSA-N 1 0 309.837 4.192 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC001308530715 1066049528 /nfs/dbraw/zinc/04/95/28/1066049528.db2.gz YPMJUTBIJNGKGW-UHFFFAOYSA-N 1 0 320.436 4.234 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)C2CC2)ccc1OC ZINC001308537473 1066054357 /nfs/dbraw/zinc/05/43/57/1066054357.db2.gz UZDYTCQFWAMWHQ-UHFFFAOYSA-N 1 0 303.446 4.176 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC001308542751 1066059580 /nfs/dbraw/zinc/05/95/80/1066059580.db2.gz ILQNWTPCZHAQFU-UHFFFAOYSA-N 1 0 317.392 4.120 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)n1)CC1CCC1 ZINC001308569529 1066077351 /nfs/dbraw/zinc/07/73/51/1066077351.db2.gz ZVOMKUIZOLRUBV-INIZCTEOSA-N 1 0 305.425 4.317 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1OC ZINC001308569762 1066078341 /nfs/dbraw/zinc/07/83/41/1066078341.db2.gz JTJMHDDXZSYFBE-STQMWFEESA-N 1 0 309.837 4.144 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001308570047 1066081923 /nfs/dbraw/zinc/08/19/23/1066081923.db2.gz LAWONJRNBMUZGT-RTBURBONSA-N 1 0 314.473 4.282 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)n1 ZINC001308595957 1066107014 /nfs/dbraw/zinc/10/70/14/1066107014.db2.gz WUOYWENXBPAYGG-NRFANRHFSA-N 1 0 313.404 4.444 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccc(F)c(F)c2n1 ZINC001308613275 1066117402 /nfs/dbraw/zinc/11/74/02/1066117402.db2.gz BVNXUUWNGMOBDR-UHFFFAOYSA-N 1 0 323.346 4.017 20 30 DIEDRO CC[C@@H](C)[C@H](C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)OC ZINC001308612441 1066118287 /nfs/dbraw/zinc/11/82/87/1066118287.db2.gz XVDREXCSQQVLQG-APWZRJJASA-N 1 0 302.462 4.077 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)CC1(OC)CCCCCC1 ZINC001308633363 1066129138 /nfs/dbraw/zinc/12/91/38/1066129138.db2.gz ZFXHPQWIGNHRRQ-UHFFFAOYSA-N 1 0 301.474 4.457 20 30 DIEDRO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1F)CC1CCCCC1 ZINC001308635878 1066130593 /nfs/dbraw/zinc/13/05/93/1066130593.db2.gz YCHQGGWGVMRJRP-UHFFFAOYSA-N 1 0 321.436 4.411 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)Cc2ccc(N(CC)CC)cc2)cc1 ZINC001308645672 1066135500 /nfs/dbraw/zinc/13/55/00/1066135500.db2.gz PXOUXGXATIRHBO-UHFFFAOYSA-N 1 0 306.453 4.146 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC001308650935 1066138238 /nfs/dbraw/zinc/13/82/38/1066138238.db2.gz UYNOVFZVRSJTSD-LSDHHAIUSA-N 1 0 305.849 4.363 20 30 DIEDRO Cc1ccccc1OCC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC001308653585 1066139272 /nfs/dbraw/zinc/13/92/72/1066139272.db2.gz GPTNORDZJJTTMS-UHFFFAOYSA-N 1 0 322.452 4.307 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001308658845 1066140843 /nfs/dbraw/zinc/14/08/43/1066140843.db2.gz UIAGCUCHGUENCX-FQEVSTJZSA-N 1 0 323.415 4.100 20 30 DIEDRO C#Cc1cccc(N[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001308668331 1066145555 /nfs/dbraw/zinc/14/55/55/1066145555.db2.gz DJPBWPXJVWUEMT-UWJYYQICSA-N 1 0 304.437 4.133 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC001308743539 1066218830 /nfs/dbraw/zinc/21/88/30/1066218830.db2.gz XDBMQNWCACFERK-SECBINFHSA-N 1 0 320.305 4.402 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001308751710 1066225017 /nfs/dbraw/zinc/22/50/17/1066225017.db2.gz WNAUMWVICLWAAT-VVLHAWIVSA-N 1 0 324.509 4.355 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](OCCCC)C2(C)C)cc1 ZINC001308756980 1066230516 /nfs/dbraw/zinc/23/05/16/1066230516.db2.gz FXTADPMNHVSWIM-RBUKOAKNSA-N 1 0 317.473 4.325 20 30 DIEDRO C=CCC1([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CCCCC1 ZINC001308764010 1066236530 /nfs/dbraw/zinc/23/65/30/1066236530.db2.gz CFKKLQAAFSPBMY-IYBDPMFKSA-N 1 0 322.493 4.158 20 30 DIEDRO C=CCC1(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC001308763311 1066238253 /nfs/dbraw/zinc/23/82/53/1066238253.db2.gz NXLNBXSVDPKAAX-HXUWFJFHSA-N 1 0 312.501 4.377 20 30 DIEDRO C#C[C@@H]([NH2+]C[C@H](C)CC(C)C)c1ccc(Br)cc1 ZINC001308784842 1066260110 /nfs/dbraw/zinc/26/01/10/1066260110.db2.gz ONHWLRDNJIVBLM-CZUORRHYSA-N 1 0 308.263 4.395 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC001308786076 1066262999 /nfs/dbraw/zinc/26/29/99/1066262999.db2.gz IADDAHMVAPPBSA-MJGOQNOKSA-N 1 0 300.490 4.089 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001308794135 1066270746 /nfs/dbraw/zinc/27/07/46/1066270746.db2.gz ISVVIUNZRUIXSW-INIZCTEOSA-N 1 0 316.445 4.171 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC001308795938 1066271337 /nfs/dbraw/zinc/27/13/37/1066271337.db2.gz YJBXSZPIKYVUAB-LJQANCHMSA-N 1 0 308.425 4.458 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC001308840374 1066316687 /nfs/dbraw/zinc/31/66/87/1066316687.db2.gz GIMUOINAQXTIFL-LJQANCHMSA-N 1 0 311.473 4.169 20 30 DIEDRO Cc1ccc2oc(C[NH2+]C3CC(C#N)(c4ccccc4)C3)cc2c1 ZINC001308863250 1066344622 /nfs/dbraw/zinc/34/46/22/1066344622.db2.gz LQHVWXZHJCXEJV-UHFFFAOYSA-N 1 0 316.404 4.455 20 30 DIEDRO Cc1cc(Br)c(C[NH2+][C@H](C)CC(C)(C)C#N)s1 ZINC001308869089 1066348387 /nfs/dbraw/zinc/34/83/87/1066348387.db2.gz HQQBODITMGWIOK-SECBINFHSA-N 1 0 315.280 4.237 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001308876069 1066354932 /nfs/dbraw/zinc/35/49/32/1066354932.db2.gz IBXAYDWXCOTUNT-JKSUJKDBSA-N 1 0 324.509 4.214 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC001308879610 1066360541 /nfs/dbraw/zinc/36/05/41/1066360541.db2.gz XXDVFYCYVXASEY-ZIAGYGMSSA-N 1 0 303.372 4.101 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001308901533 1066379262 /nfs/dbraw/zinc/37/92/62/1066379262.db2.gz ZCRMBILKDIGOAE-HZPDHXFCSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CCC[C@H](CC)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001308918439 1066396675 /nfs/dbraw/zinc/39/66/75/1066396675.db2.gz LXFLHSYWPJTLOZ-FXAWDEMLSA-N 1 0 313.489 4.128 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001308932551 1066406499 /nfs/dbraw/zinc/40/64/99/1066406499.db2.gz YCSIWFJDGXOEAH-JKSUJKDBSA-N 1 0 310.482 4.110 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]CCc2cc(Cl)cc(Cl)c2)c1 ZINC001308940832 1066410308 /nfs/dbraw/zinc/41/03/08/1066410308.db2.gz KHNBCYNHGOMKAG-UHFFFAOYSA-N 1 0 323.198 4.336 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001308943977 1066410944 /nfs/dbraw/zinc/41/09/44/1066410944.db2.gz QRCVLWSZTFUFRP-KHPNHKCMSA-N 1 0 306.384 4.027 20 30 DIEDRO C=CCCCCCN(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001311434793 1066643944 /nfs/dbraw/zinc/64/39/44/1066643944.db2.gz DXQPYAKCMMXGLV-UHFFFAOYSA-N 1 0 323.525 4.029 20 30 DIEDRO CCCCCCCCCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001311552833 1066660266 /nfs/dbraw/zinc/66/02/66/1066660266.db2.gz YETGWPWGYOYOKL-MSOLQXFVSA-N 1 0 323.525 4.005 20 30 DIEDRO CCCCCCCCCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC001311552836 1066660681 /nfs/dbraw/zinc/66/06/81/1066660681.db2.gz YETGWPWGYOYOKL-QZTJIDSGSA-N 1 0 323.525 4.005 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1OCCOC)c1ccco1 ZINC000286007820 335031744 /nfs/dbraw/zinc/03/17/44/335031744.db2.gz IZSNDBDNFBLQPD-QGZVFWFLSA-N 1 0 315.413 4.102 20 30 DIEDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000426037608 335042914 /nfs/dbraw/zinc/04/29/14/335042914.db2.gz VLVWCUFQBROLDB-QWRGUYRKSA-N 1 0 302.315 4.469 20 30 DIEDRO C[C@@H](SCCc1nc2ccccc2n1C)c1cccc(C#N)c1 ZINC000563838279 335043229 /nfs/dbraw/zinc/04/32/29/335043229.db2.gz YKCQJUUGEHWGSI-CQSZACIVSA-N 1 0 321.449 4.482 20 30 DIEDRO C=C(C)C(C)(C)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000425544829 335046482 /nfs/dbraw/zinc/04/64/82/335046482.db2.gz DYULHSAEXLNFGC-UHFFFAOYSA-N 1 0 300.446 4.132 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(OC)cc1 ZINC000272179884 130005094 /nfs/dbraw/zinc/00/50/94/130005094.db2.gz FNRSPQCCHQXMPO-LJQANCHMSA-N 1 0 306.409 4.297 20 30 DIEDRO CCc1nc(C)c([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000272208451 130007521 /nfs/dbraw/zinc/00/75/21/130007521.db2.gz KHRCMHBCBLYGSD-ZDUSSCGKSA-N 1 0 311.454 4.226 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272301670 130019064 /nfs/dbraw/zinc/01/90/64/130019064.db2.gz RIXCLKRLKRSQIC-FQEVSTJZSA-N 1 0 318.420 4.223 20 30 DIEDRO Cc1cscc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272301654 130019523 /nfs/dbraw/zinc/01/95/23/130019523.db2.gz RINJBVXSPIBTDO-UHFFFAOYSA-N 1 0 311.454 4.005 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1C ZINC000272963587 130077307 /nfs/dbraw/zinc/07/73/07/130077307.db2.gz RXVUDOYLRPCCFG-OAHLLOKOSA-N 1 0 306.409 4.215 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000273471132 130125070 /nfs/dbraw/zinc/12/50/70/130125070.db2.gz FUSQQDBBXAFGRV-ZIAGYGMSSA-N 1 0 320.845 4.047 20 30 DIEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000275701874 130365774 /nfs/dbraw/zinc/36/57/74/130365774.db2.gz QNAGJQRJGAKXAS-QAPCUYQASA-N 1 0 306.409 4.117 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284985936 131127949 /nfs/dbraw/zinc/12/79/49/131127949.db2.gz YFANTFYTCSHSFC-DFBGVHRSSA-N 1 0 309.240 4.135 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000286038928 131217084 /nfs/dbraw/zinc/21/70/84/131217084.db2.gz KKVXVBHNTHFKBL-CABCVRRESA-N 1 0 324.424 4.296 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000297157634 132002243 /nfs/dbraw/zinc/00/22/43/132002243.db2.gz CSHMEFJPEVGCRX-UGSOOPFHSA-N 1 0 309.369 4.268 20 30 DIEDRO C=CCN(Cc1cc(C)sc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000520135084 335066057 /nfs/dbraw/zinc/06/60/57/335066057.db2.gz OOJCEIWLLKAUBQ-UHFFFAOYSA-N 1 0 316.426 4.461 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1Cl ZINC000563862195 335068669 /nfs/dbraw/zinc/06/86/69/335068669.db2.gz NQUGGQLRGNMKOK-JTQLQIEISA-N 1 0 306.818 4.133 20 30 DIEDRO Cc1cncc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000184411785 335072982 /nfs/dbraw/zinc/07/29/82/335072982.db2.gz VNAHESHHMWMLHR-AWEZNQCLSA-N 1 0 318.342 4.111 20 30 DIEDRO N#Cc1cccc(C2(NCc3cccc(F)c3Cl)CC2)c1 ZINC000563873467 335085733 /nfs/dbraw/zinc/08/57/33/335085733.db2.gz GMGOYQJXJIJXFV-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO [NH2+]=C(NCc1ccc(C(F)F)cc1)Nc1ccc2c(c1)CCC2 ZINC000184879679 335092425 /nfs/dbraw/zinc/09/24/25/335092425.db2.gz DOGAHNWFRYSJOY-UHFFFAOYSA-N 1 0 315.367 4.040 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@@]1(C)CCCO1 ZINC000570640365 332788809 /nfs/dbraw/zinc/78/88/09/332788809.db2.gz JWFOTJISYBVKDA-IIBYNOLFSA-N 1 0 320.436 4.272 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000186709074 331469057 /nfs/dbraw/zinc/46/90/57/331469057.db2.gz SMRQUKODKSGVDF-CJNGLKHVSA-N 1 0 316.470 4.015 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1OCC ZINC000011046529 331522349 /nfs/dbraw/zinc/52/23/49/331522349.db2.gz OMMJIFVKRKYBEU-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000530865692 331630569 /nfs/dbraw/zinc/63/05/69/331630569.db2.gz PUMFVNACWNQGQS-UHFFFAOYSA-N 1 0 314.473 4.367 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000123659992 331685917 /nfs/dbraw/zinc/68/59/17/331685917.db2.gz JYRSZSJFUQHQFX-UHFFFAOYSA-N 1 0 300.402 4.290 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000557218176 331777064 /nfs/dbraw/zinc/77/70/64/331777064.db2.gz YEJKNDSENRSROL-MRXNPFEDSA-N 1 0 313.420 4.061 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)c(F)c1 ZINC000558156387 331880493 /nfs/dbraw/zinc/88/04/93/331880493.db2.gz HANDIZMVIUUXKX-GFCCVEGCSA-N 1 0 302.780 4.396 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCc1c[nH]c3ccccc13)CC2 ZINC000558504728 331914218 /nfs/dbraw/zinc/91/42/18/331914218.db2.gz XKFGOSRZSVSQTC-OAQYLSRUSA-N 1 0 315.420 4.249 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cscc3C(F)(F)F)CC2)c1 ZINC000558567556 331925428 /nfs/dbraw/zinc/92/54/28/331925428.db2.gz XBNYDHUYTQJAGM-UHFFFAOYSA-N 1 0 322.355 4.417 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518195 331948547 /nfs/dbraw/zinc/94/85/47/331948547.db2.gz RTQLSBGVAHEDSN-LBPRGKRZSA-N 1 0 302.443 4.176 20 30 DIEDRO N#CC1CCC(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449303421 332017465 /nfs/dbraw/zinc/01/74/65/332017465.db2.gz MCSHRGFISYNJOV-UHFFFAOYSA-N 1 0 304.478 4.176 20 30 DIEDRO COc1ccc(C[N@H+](CCCCC(C)(C)C#N)C2CC2)cc1 ZINC000409447360 332032021 /nfs/dbraw/zinc/03/20/21/332032021.db2.gz VGQPNGGNXVMKKR-UHFFFAOYSA-N 1 0 300.446 4.380 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2nc3ccccc3s2)cc1 ZINC000409447397 332032694 /nfs/dbraw/zinc/03/26/94/332032694.db2.gz KIPRMTSGFMWTQD-UHFFFAOYSA-N 1 0 324.449 4.193 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccc(Br)cc1 ZINC000087608527 332034667 /nfs/dbraw/zinc/03/46/67/332034667.db2.gz GECGOVZJQXUFRE-UHFFFAOYSA-N 1 0 309.251 4.211 20 30 DIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)c3cccc(C#N)c3)C2)cc1F ZINC000409848179 332058689 /nfs/dbraw/zinc/05/86/89/332058689.db2.gz ZPULRHAIFALMAO-KKXDTOCCSA-N 1 0 324.399 4.303 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090665022 332092214 /nfs/dbraw/zinc/09/22/14/332092214.db2.gz CQBXLJQYCVIKGU-KDOFPFPSSA-N 1 0 309.369 4.290 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000091080679 332099308 /nfs/dbraw/zinc/09/93/08/332099308.db2.gz HGQVPUINZZEUIH-GOSISDBHSA-N 1 0 322.456 4.165 20 30 DIEDRO Cc1ccc(OC2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000091673866 332110039 /nfs/dbraw/zinc/11/00/39/332110039.db2.gz NENQIKXGSZLREE-UHFFFAOYSA-N 1 0 300.446 4.168 20 30 DIEDRO Cc1cc(CN(C)[C@@H](C)CC#N)cc(C)c1OCc1ccccn1 ZINC000093090525 332133786 /nfs/dbraw/zinc/13/37/86/332133786.db2.gz MSIXELQQJVYHLH-KRWDZBQOSA-N 1 0 323.440 4.011 20 30 DIEDRO CC(C)(C#N)CCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000573563816 332137936 /nfs/dbraw/zinc/13/79/36/332137936.db2.gz JEVMVSFTFXCMEO-QGZVFWFLSA-N 1 0 302.487 4.324 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000181044675 332173260 /nfs/dbraw/zinc/17/32/60/332173260.db2.gz HVJYNVQYLWZQPZ-UHFFFAOYSA-N 1 0 305.219 4.005 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000181416516 332194108 /nfs/dbraw/zinc/19/41/08/332194108.db2.gz BHHFZGDXLMCVGP-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(c3cccc(OC)c3)CC2)cc1 ZINC000150900443 332196413 /nfs/dbraw/zinc/19/64/13/332196413.db2.gz CTSVXLODAAWXSN-UHFFFAOYSA-N 1 0 309.409 4.039 20 30 DIEDRO Cc1ccc(C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cn1 ZINC000363685448 332220018 /nfs/dbraw/zinc/22/00/18/332220018.db2.gz IEXOMIDKIFKABE-INIZCTEOSA-N 1 0 305.425 4.202 20 30 DIEDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363720826 332232292 /nfs/dbraw/zinc/23/22/92/332232292.db2.gz SKQGBRNKUCPHBR-AWEZNQCLSA-N 1 0 316.408 4.108 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536498370 332253092 /nfs/dbraw/zinc/25/30/92/332253092.db2.gz UNAXIEWMVXIPBL-IBGZPJMESA-N 1 0 318.892 4.348 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000560144329 332314536 /nfs/dbraw/zinc/31/45/36/332314536.db2.gz VRHFYXGNENXNPC-SFHVURJKSA-N 1 0 317.436 4.242 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCc4ccc(Cl)cc43)CC2)c1 ZINC000560268627 332325685 /nfs/dbraw/zinc/32/56/85/332325685.db2.gz NXLHYAUVLIAZRB-SFHVURJKSA-N 1 0 308.812 4.478 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560265663 332326466 /nfs/dbraw/zinc/32/64/66/332326466.db2.gz PNGPTUUWEUCECI-HNNXBMFYSA-N 1 0 308.400 4.297 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccco1 ZINC000560518605 332349702 /nfs/dbraw/zinc/34/97/02/332349702.db2.gz HMUNYEKFYWNRLH-QZTJIDSGSA-N 1 0 316.420 4.319 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccco1 ZINC000560543704 332355159 /nfs/dbraw/zinc/35/51/59/332355159.db2.gz BIIFZKLRUWDFPK-CQSZACIVSA-N 1 0 306.793 4.004 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000560572778 332362791 /nfs/dbraw/zinc/36/27/91/332362791.db2.gz BXLKPTDBHSSCJG-HXUWFJFHSA-N 1 0 306.409 4.364 20 30 DIEDRO CC1(C)C[N@H+](Cc2cccc(OCCCC#N)c2)[C@H]2CCC[C@H]21 ZINC000560621674 332369865 /nfs/dbraw/zinc/36/98/65/332369865.db2.gz YFTUVMRNMSGRDA-MOPGFXCFSA-N 1 0 312.457 4.380 20 30 DIEDRO Cc1ccccc1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237725563 332386815 /nfs/dbraw/zinc/38/68/15/332386815.db2.gz SZBPXPKFPIDTPN-UHFFFAOYSA-N 1 0 308.425 4.010 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)c(C)c1 ZINC000237749450 332388320 /nfs/dbraw/zinc/38/83/20/332388320.db2.gz LLAZBUHYKAHKDL-UHFFFAOYSA-N 1 0 308.425 4.276 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000153541174 332389745 /nfs/dbraw/zinc/38/97/45/332389745.db2.gz PTIAKGPHGCCRFN-RDTXWAMCSA-N 1 0 312.438 4.376 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000561159406 332418361 /nfs/dbraw/zinc/41/83/61/332418361.db2.gz DPJCAUJDSPJHHL-LEWJYISDSA-N 1 0 313.404 4.084 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000561278747 332432601 /nfs/dbraw/zinc/43/26/01/332432601.db2.gz SHBOPAFVEHXRKI-ZNMIVQPWSA-N 1 0 301.409 4.263 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000130504979 332539201 /nfs/dbraw/zinc/53/92/01/332539201.db2.gz UBPRXXFSJPMCFU-QGZVFWFLSA-N 1 0 309.369 4.038 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000562506948 332599968 /nfs/dbraw/zinc/59/99/68/332599968.db2.gz ZJNFSYHSRGJJDT-FQEVSTJZSA-N 1 0 322.452 4.337 20 30 DIEDRO CCc1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000171757319 332651262 /nfs/dbraw/zinc/65/12/62/332651262.db2.gz LQBKVLVTISFACG-CYBMUJFWSA-N 1 0 300.427 4.064 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000525709624 332689102 /nfs/dbraw/zinc/68/91/02/332689102.db2.gz UWCHZQYAMLLTTR-UHFFFAOYSA-N 1 0 315.461 4.213 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccco1 ZINC000570470776 332759384 /nfs/dbraw/zinc/75/93/84/332759384.db2.gz VRHPOAOFUDMIOI-HOTGVXAUSA-N 1 0 315.413 4.353 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccccc2F)c(C(F)(F)F)c1 ZINC000570488170 332761646 /nfs/dbraw/zinc/76/16/46/332761646.db2.gz OGSZSINGMJSXDS-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(OC(F)F)c1 ZINC000179578354 333025421 /nfs/dbraw/zinc/02/54/21/333025421.db2.gz YCGNTNKOROFIJT-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO Cc1ccccc1C[C@@H]([NH2+]CCc1cccc(C#N)c1)C1CC1 ZINC000580295733 333070197 /nfs/dbraw/zinc/07/01/97/333070197.db2.gz GBKUKRUBHYUXJN-OAQYLSRUSA-N 1 0 304.437 4.020 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000442791851 335119362 /nfs/dbraw/zinc/11/93/62/335119362.db2.gz KQDJPPRGOSDQHQ-WFASDCNBSA-N 1 0 321.262 4.009 20 30 DIEDRO CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(C#N)cc1Cl ZINC000313919179 333077720 /nfs/dbraw/zinc/07/77/20/333077720.db2.gz SSKLRJNAFWAGEQ-CYBMUJFWSA-N 1 0 316.754 4.374 20 30 DIEDRO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCCSCC#N)o1 ZINC000466742852 333082134 /nfs/dbraw/zinc/08/21/34/333082134.db2.gz HNYPNZUIOKFXND-ZBFHGGJFSA-N 1 0 306.475 4.262 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000174305377 333084832 /nfs/dbraw/zinc/08/48/32/333084832.db2.gz KKMONLURRMVBQV-ROUUACIJSA-N 1 0 300.446 4.074 20 30 DIEDRO Cc1ccc(-c2nc(CC[NH2+]CC(C)(C)CCC#N)co2)cc1 ZINC000174333707 333085311 /nfs/dbraw/zinc/08/53/11/333085311.db2.gz KJUHZHMHXIEFMR-UHFFFAOYSA-N 1 0 311.429 4.112 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000174856976 333091839 /nfs/dbraw/zinc/09/18/39/333091839.db2.gz JANQOTWMBAGSCD-UHFFFAOYSA-N 1 0 314.473 4.245 20 30 DIEDRO Cc1ccccc1[C@H]1C[N@H+](CCCC(C)(C)C#N)[C@H](C)CO1 ZINC000174876382 333092143 /nfs/dbraw/zinc/09/21/43/333092143.db2.gz ZWQFCUQFGDSBDG-SJLPKXTDSA-N 1 0 300.446 4.087 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462810679 333117812 /nfs/dbraw/zinc/11/78/12/333117812.db2.gz KCQVLTMJVBFPFI-INIZCTEOSA-N 1 0 314.473 4.406 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(N2CCCCC2)c(F)c1 ZINC000178641314 333141706 /nfs/dbraw/zinc/14/17/06/333141706.db2.gz JYVIOIJSXIMQBB-OAHLLOKOSA-N 1 0 303.425 4.160 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CCCC#N)ccc1OCc1ccccc1 ZINC000179711921 333154663 /nfs/dbraw/zinc/15/46/63/333154663.db2.gz FQXHOEIGKABNHC-MRXNPFEDSA-N 1 0 324.424 4.229 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179701086 333154790 /nfs/dbraw/zinc/15/47/90/333154790.db2.gz SBXPORSQAYUTJZ-UHFFFAOYSA-N 1 0 308.400 4.406 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180065189 333158214 /nfs/dbraw/zinc/15/82/14/333158214.db2.gz YMCBSJKIKAZNFU-BLLLJJGKSA-N 1 0 321.346 4.190 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000180548918 333162915 /nfs/dbraw/zinc/16/29/15/333162915.db2.gz KZDNNLYWPYIPSI-GOSISDBHSA-N 1 0 312.800 4.019 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000180554549 333163097 /nfs/dbraw/zinc/16/30/97/333163097.db2.gz NEYDRJOWCZCLRI-MRXNPFEDSA-N 1 0 324.424 4.229 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(F)ccc1F ZINC000180550829 333163149 /nfs/dbraw/zinc/16/31/49/333163149.db2.gz UZHBZYMHKPTWFC-SFHVURJKSA-N 1 0 316.351 4.108 20 30 DIEDRO CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000180552742 333163151 /nfs/dbraw/zinc/16/31/51/333163151.db2.gz KNIDMFHUBYYBKQ-HXUWFJFHSA-N 1 0 308.425 4.392 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)CC2 ZINC000181569998 333170251 /nfs/dbraw/zinc/17/02/51/333170251.db2.gz JRGQSNGNNIJHBO-UXHICEINSA-N 1 0 306.409 4.317 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)CC2 ZINC000181569946 333170273 /nfs/dbraw/zinc/17/02/73/333170273.db2.gz JRGQSNGNNIJHBO-VQTJNVASSA-N 1 0 306.409 4.317 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000181642880 333170993 /nfs/dbraw/zinc/17/09/93/333170993.db2.gz SEZDQEMYEXEULO-HNAYVOBHSA-N 1 0 322.408 4.153 20 30 DIEDRO CCS[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181865973 333173045 /nfs/dbraw/zinc/17/30/45/333173045.db2.gz SUKMGGBQBRHKMI-QGTPRVQTSA-N 1 0 318.486 4.304 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000182052228 333175076 /nfs/dbraw/zinc/17/50/76/333175076.db2.gz VXMSKRAUMIXCBR-OXJNMPFZSA-N 1 0 319.408 4.285 20 30 DIEDRO N#CCC1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000430735994 335126691 /nfs/dbraw/zinc/12/66/91/335126691.db2.gz BPFLJAHLINRFNS-HNNXBMFYSA-N 1 0 308.347 4.440 20 30 DIEDRO N#CCC1(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000309653697 333185876 /nfs/dbraw/zinc/18/58/76/333185876.db2.gz AUSZLRFSUBCKFA-UHFFFAOYSA-N 1 0 306.409 4.049 20 30 DIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCC#N)s2)cc1 ZINC000184088291 333191913 /nfs/dbraw/zinc/19/19/13/333191913.db2.gz RXNUGCIEMDYXIT-GFCCVEGCSA-N 1 0 315.442 4.082 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+]CCCSCC#N)c(C)c2c1 ZINC000184321325 333195034 /nfs/dbraw/zinc/19/50/34/333195034.db2.gz JROKGOJTIGWSMI-ZDUSSCGKSA-N 1 0 318.442 4.047 20 30 DIEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](C#N)CCC#N ZINC000184949005 333202904 /nfs/dbraw/zinc/20/29/04/333202904.db2.gz GKNFIHHWYSXVAJ-MSOLQXFVSA-N 1 0 323.465 4.373 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000185779573 333213785 /nfs/dbraw/zinc/21/37/85/333213785.db2.gz BQYVOBKJIPYHLD-MFKMUULPSA-N 1 0 300.299 4.016 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000185847374 333215085 /nfs/dbraw/zinc/21/50/85/333215085.db2.gz UQBHVMJQVSRBMS-WFASDCNBSA-N 1 0 301.821 4.036 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)C1 ZINC000185882869 333215596 /nfs/dbraw/zinc/21/55/96/333215596.db2.gz FHVTWJMFYALRPX-WBVHZDCISA-N 1 0 307.397 4.046 20 30 DIEDRO CC[N@H+](Cc1cc(F)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594225 333267586 /nfs/dbraw/zinc/26/75/86/333267586.db2.gz SRMRKRYCQJVLGV-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO CC[N@H+](CCOc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621242 333270694 /nfs/dbraw/zinc/27/06/94/333270694.db2.gz UMFMCLDDUWVBLE-HNNXBMFYSA-N 1 0 312.388 4.159 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000497620498 333270758 /nfs/dbraw/zinc/27/07/58/333270758.db2.gz ZKXSXEHWJYDGTB-CQSZACIVSA-N 1 0 307.372 4.152 20 30 DIEDRO C=CCC(C)(C)C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000497696077 333279581 /nfs/dbraw/zinc/27/95/81/333279581.db2.gz KFKGRPVIQTTXQY-UHFFFAOYSA-N 1 0 322.537 4.195 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390578776 333302786 /nfs/dbraw/zinc/30/27/86/333302786.db2.gz DJWBZAWRSKYNSE-MJGOQNOKSA-N 1 0 300.490 4.231 20 30 DIEDRO N#Cc1csc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)c1 ZINC000531356307 333345932 /nfs/dbraw/zinc/34/59/32/333345932.db2.gz KYNXYGFPLIMUHQ-UHFFFAOYSA-N 1 0 324.371 4.361 20 30 DIEDRO CC[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)Oc1cccc(Cl)c1 ZINC000463234041 333350060 /nfs/dbraw/zinc/35/00/60/333350060.db2.gz QYOYLATZWQDZLC-FVQBIDKESA-N 1 0 306.837 4.169 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000531451452 333355727 /nfs/dbraw/zinc/35/57/27/333355727.db2.gz GONXEGUPCAIWGW-ZYHUDNBSSA-N 1 0 302.365 4.078 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000463280683 333369168 /nfs/dbraw/zinc/36/91/68/333369168.db2.gz ISOZOGKYPKPEQO-ZMSDIMECSA-N 1 0 316.445 4.217 20 30 DIEDRO CC(C)(C)c1ccc(OCC[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000463295918 333371262 /nfs/dbraw/zinc/37/12/62/333371262.db2.gz QJSQYGOJIDASJM-RDJZCZTQSA-N 1 0 300.446 4.035 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2F)cc1 ZINC000393465515 333409814 /nfs/dbraw/zinc/40/98/14/333409814.db2.gz WJBWIYISKCDAOH-CYBMUJFWSA-N 1 0 303.352 4.380 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000525833914 333437444 /nfs/dbraw/zinc/43/74/44/333437444.db2.gz TWOIFSHRYOTQRQ-IBGZPJMESA-N 1 0 305.425 4.124 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000570959147 333466348 /nfs/dbraw/zinc/46/63/48/333466348.db2.gz XMZNQGIZYHLDOX-UHFFFAOYSA-N 1 0 313.832 4.404 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000338794557 333498576 /nfs/dbraw/zinc/49/85/76/333498576.db2.gz PWJJLDMJDHBWFD-QGTPRVQTSA-N 1 0 301.430 4.113 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)C1 ZINC000338994005 333504199 /nfs/dbraw/zinc/50/41/99/333504199.db2.gz AMAKCUWAIAVKDF-CZUORRHYSA-N 1 0 311.404 4.179 20 30 DIEDRO N#CCCOCC[NH2+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000339070977 333508077 /nfs/dbraw/zinc/50/80/77/333508077.db2.gz NQDFMEFPIPELHT-IBGZPJMESA-N 1 0 300.446 4.218 20 30 DIEDRO CC1CCC([NH+]2CCN(CCC3(C#N)CCCCC3)CC2)CC1 ZINC000411271534 333648152 /nfs/dbraw/zinc/64/81/52/333648152.db2.gz LMQUKEGPWWUQLL-UHFFFAOYSA-N 1 0 317.521 4.047 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2O ZINC000571137909 333668185 /nfs/dbraw/zinc/66/81/85/333668185.db2.gz JKMFDLPQPDJRKW-WOJBJXKFSA-N 1 0 318.420 4.308 20 30 DIEDRO C[C@@H](CCC#N)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000411717998 333703566 /nfs/dbraw/zinc/70/35/66/333703566.db2.gz JWKVDYBKKJFCLI-NHYWBVRUSA-N 1 0 312.335 4.318 20 30 DIEDRO CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442827487 335157350 /nfs/dbraw/zinc/15/73/50/335157350.db2.gz PSEFTWNBWXTZKX-GVDBMIGSSA-N 1 0 302.487 4.456 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C1 ZINC000414232121 333927070 /nfs/dbraw/zinc/92/70/70/333927070.db2.gz HXDRKBMILYXOMD-ZIAGYGMSSA-N 1 0 304.384 4.058 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000414508997 334001764 /nfs/dbraw/zinc/00/17/64/334001764.db2.gz DPZNVGHWSYWBRB-IMJJTQAJSA-N 1 0 311.454 4.077 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)CC(F)(F)F ZINC000414523855 334006758 /nfs/dbraw/zinc/00/67/58/334006758.db2.gz FQWSLUQUEPZWTG-CYBMUJFWSA-N 1 0 314.351 4.047 20 30 DIEDRO C[N@H+](Cc1nc(C#N)cs1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000414526082 334007056 /nfs/dbraw/zinc/00/70/56/334007056.db2.gz KLHMVOZLIFIEOY-SJORKVTESA-N 1 0 311.454 4.173 20 30 DIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000270088294 334007422 /nfs/dbraw/zinc/00/74/22/334007422.db2.gz AGXQONQZHLEZCJ-QGZVFWFLSA-N 1 0 324.472 4.139 20 30 DIEDRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271523523 334024360 /nfs/dbraw/zinc/02/43/60/334024360.db2.gz VFEKUBBEOPDPSF-JKSUJKDBSA-N 1 0 324.424 4.399 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C(C)C ZINC000271669072 334025450 /nfs/dbraw/zinc/02/54/50/334025450.db2.gz IBNFFGQBJXJVGI-FQEVSTJZSA-N 1 0 308.425 4.384 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271961534 334029261 /nfs/dbraw/zinc/02/92/61/334029261.db2.gz DOFHNNCKDPASKB-MRXNPFEDSA-N 1 0 323.440 4.132 20 30 DIEDRO CC(C)(C#N)CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000272036100 334029705 /nfs/dbraw/zinc/02/97/05/334029705.db2.gz QBHRKHIIZYKCOI-CYBMUJFWSA-N 1 0 302.315 4.349 20 30 DIEDRO CCc1nc2ccccc2n1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000272054072 334030338 /nfs/dbraw/zinc/03/03/38/334030338.db2.gz VBDLUJBFGCKKNN-UHFFFAOYSA-N 1 0 324.472 4.175 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000272197144 334031808 /nfs/dbraw/zinc/03/18/08/334031808.db2.gz IKQCYJUHYXSUKM-CQSZACIVSA-N 1 0 321.380 4.115 20 30 DIEDRO C[C@H]([NH2+]CCCC#N)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000273167600 334043990 /nfs/dbraw/zinc/04/39/90/334043990.db2.gz BDMVBCHXSWKAAY-LBPRGKRZSA-N 1 0 315.398 4.278 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000273769955 334050927 /nfs/dbraw/zinc/05/09/27/334050927.db2.gz QNNREZFMGUVOCB-UTKZUKDTSA-N 1 0 319.452 4.218 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000274615759 334063811 /nfs/dbraw/zinc/06/38/11/334063811.db2.gz UWMPIDLNPDWJNH-UHFFFAOYSA-N 1 0 314.473 4.293 20 30 DIEDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCCC(C)(C)C#N ZINC000277830733 334091302 /nfs/dbraw/zinc/09/13/02/334091302.db2.gz WCOWTVFPGHZRDC-NYHFZMIOSA-N 1 0 320.502 4.137 20 30 DIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H]4CC[C@@H](C#N)C4)CC3)c2c1 ZINC000278560568 334097981 /nfs/dbraw/zinc/09/79/81/334097981.db2.gz IIRIZRJUKDLRJL-GDBMZVCRSA-N 1 0 323.440 4.048 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000353191869 334106097 /nfs/dbraw/zinc/10/60/97/334106097.db2.gz LLTKNIRHGILLBT-GOSISDBHSA-N 1 0 309.409 4.173 20 30 DIEDRO N#CCSCCC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280253909 334115744 /nfs/dbraw/zinc/11/57/44/334115744.db2.gz OTNPHFXUOFWDKM-UHFFFAOYSA-N 1 0 306.862 4.076 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000280810747 334120397 /nfs/dbraw/zinc/12/03/97/334120397.db2.gz MBJHZDRBKCJFBQ-SNRMKQJTSA-N 1 0 306.409 4.186 20 30 DIEDRO C[C@H](Nc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280893652 334120770 /nfs/dbraw/zinc/12/07/70/334120770.db2.gz DIMQOXOLRMRWFV-FXAWDEMLSA-N 1 0 319.452 4.075 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281151076 334123505 /nfs/dbraw/zinc/12/35/05/334123505.db2.gz BGURKGLWPWDHQW-OAHLLOKOSA-N 1 0 320.864 4.433 20 30 DIEDRO N#CC1(CCC[NH+]2CCC(c3ccsc3)CC2)CCOCC1 ZINC000281180145 334123764 /nfs/dbraw/zinc/12/37/64/334123764.db2.gz AWYHKKJNFXXFPG-UHFFFAOYSA-N 1 0 318.486 4.028 20 30 DIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)[C@@H](C)Cc1ccsc1 ZINC000281321534 334125019 /nfs/dbraw/zinc/12/50/19/334125019.db2.gz LGEVDGCOWUARPP-INIZCTEOSA-N 1 0 320.502 4.102 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000281373822 334125700 /nfs/dbraw/zinc/12/57/00/334125700.db2.gz WTXULYQIMFOXMS-OALUTQOASA-N 1 0 305.425 4.078 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000281765645 334128240 /nfs/dbraw/zinc/12/82/40/334128240.db2.gz RZSMPNRWKGUTBY-UHFFFAOYSA-N 1 0 310.413 4.421 20 30 DIEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2c2cccc(F)c2)CCOCC1 ZINC000281901020 334129496 /nfs/dbraw/zinc/12/94/96/334129496.db2.gz FPYVNQYLOIMFHV-GOSISDBHSA-N 1 0 316.420 4.063 20 30 DIEDRO CC(C)(CCc1ccccc1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000281983312 334130157 /nfs/dbraw/zinc/13/01/57/334130157.db2.gz MCWAKUNOURXHAZ-UHFFFAOYSA-N 1 0 314.473 4.088 20 30 DIEDRO CC(C)(C)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000282009778 334130311 /nfs/dbraw/zinc/13/03/11/334130311.db2.gz OGQOSUUZMJZTGC-GOSISDBHSA-N 1 0 314.473 4.464 20 30 DIEDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000282084496 334131188 /nfs/dbraw/zinc/13/11/88/334131188.db2.gz UWCVPKGTLQEPBW-OAHLLOKOSA-N 1 0 320.864 4.433 20 30 DIEDRO CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc(F)ccc1F ZINC000282101353 334131411 /nfs/dbraw/zinc/13/14/11/334131411.db2.gz WBYDOGOSXQPWMG-QGZVFWFLSA-N 1 0 322.399 4.106 20 30 DIEDRO COc1cccc2cc([C@@H](C)[NH2+]CC3CCC(C#N)CC3)oc21 ZINC000282514503 334135260 /nfs/dbraw/zinc/13/52/60/334135260.db2.gz ZHCWTWVETSLJRJ-WLYUNCDWSA-N 1 0 312.413 4.422 20 30 DIEDRO CCOc1ccc([C@H](COC)[NH2+]CCCCC(C)(C)C#N)cc1 ZINC000283969228 334142023 /nfs/dbraw/zinc/14/20/23/334142023.db2.gz CHCLNULZALVAIV-SFHVURJKSA-N 1 0 318.461 4.082 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000290007028 334170340 /nfs/dbraw/zinc/17/03/40/334170340.db2.gz ZKIMLORHEZRPJI-UHFFFAOYSA-N 1 0 315.392 4.086 20 30 DIEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCCCC#N)cc1 ZINC000290064140 334170762 /nfs/dbraw/zinc/17/07/62/334170762.db2.gz FIXFSQFCBIAMEJ-HXUWFJFHSA-N 1 0 308.425 4.262 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)c1csc(-c2ccccc2F)n1 ZINC000291064258 334176071 /nfs/dbraw/zinc/17/60/71/334176071.db2.gz AMGAXGJPTYRCRH-GFCCVEGCSA-N 1 0 303.406 4.294 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)c1 ZINC000414920433 334180951 /nfs/dbraw/zinc/18/09/51/334180951.db2.gz XRMSWTJWMUXOGY-FQEVSTJZSA-N 1 0 308.425 4.001 20 30 DIEDRO Cc1noc(C2CCC([NH2+][C@@H](CCC#N)c3ccccc3)CC2)n1 ZINC000292067380 334184275 /nfs/dbraw/zinc/18/42/75/334184275.db2.gz HEFMXKDAPOHJPG-ABHNRTSZSA-N 1 0 324.428 4.039 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1OCCc2sccc21 ZINC000292450640 334188324 /nfs/dbraw/zinc/18/83/24/334188324.db2.gz PKTDFORVNKZCAR-BBRMVZONSA-N 1 0 306.475 4.060 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000293024726 334195262 /nfs/dbraw/zinc/19/52/62/334195262.db2.gz QYVKXCNJRXGWSG-UHFFFAOYSA-N 1 0 316.445 4.070 20 30 DIEDRO C[C@H](c1cccs1)[N@H+](CCOCCC#N)Cc1ccccc1 ZINC000293293418 334196881 /nfs/dbraw/zinc/19/68/81/334196881.db2.gz ZCZBLQVEFPWGNN-MRXNPFEDSA-N 1 0 314.454 4.242 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000293723147 334201510 /nfs/dbraw/zinc/20/15/10/334201510.db2.gz PSGGMBRNQWRUGV-UHFFFAOYSA-N 1 0 304.384 4.025 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293833589 334202638 /nfs/dbraw/zinc/20/26/38/334202638.db2.gz WOXNQESZJMTREC-RCOXNQKVSA-N 1 0 320.436 4.133 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1O ZINC000340444261 334203007 /nfs/dbraw/zinc/20/30/07/334203007.db2.gz HRKMRJMYWFPNGY-QAPCUYQASA-N 1 0 324.424 4.487 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1O ZINC000340444262 334203162 /nfs/dbraw/zinc/20/31/62/334203162.db2.gz HRKMRJMYWFPNGY-YJBOKZPZSA-N 1 0 324.424 4.487 20 30 DIEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)CCO1 ZINC000340444270 334203168 /nfs/dbraw/zinc/20/31/68/334203168.db2.gz HWEYPFLZEXJVID-QRVBRYPASA-N 1 0 300.446 4.215 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1(C)C ZINC000340449206 334203930 /nfs/dbraw/zinc/20/39/30/334203930.db2.gz UBDLCJQSJPNVOX-KZNAEPCWSA-N 1 0 300.446 4.215 20 30 DIEDRO C[C@H](CC1CCOCC1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340449584 334205439 /nfs/dbraw/zinc/20/54/39/334205439.db2.gz LYUMVDPWYOGGDD-APWZRJJASA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1ncc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)n1 ZINC000340449707 334205453 /nfs/dbraw/zinc/20/54/53/334205453.db2.gz WAAMBFIHWGCRIC-BEFAXECRSA-N 1 0 308.429 4.179 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc(C)c1OC(F)F ZINC000294929573 334214364 /nfs/dbraw/zinc/21/43/64/334214364.db2.gz BNZJOHJSMQAJJW-ZFWWWQNUSA-N 1 0 308.372 4.077 20 30 DIEDRO Cc1ccc(-c2nc(C[NH2+][C@H]3CC[C@@H](CC#N)C3)cs2)cc1 ZINC000295057018 334216513 /nfs/dbraw/zinc/21/65/13/334216513.db2.gz NXBKXYTUAPLAFR-HOCLYGCPSA-N 1 0 311.454 4.291 20 30 DIEDRO N#CCCn1cc(C[NH2+]CC2=CCCCC2)c(-c2ccccc2)n1 ZINC000295122703 334219104 /nfs/dbraw/zinc/21/91/04/334219104.db2.gz NKSHPGNZYUNYMC-UHFFFAOYSA-N 1 0 320.440 4.054 20 30 DIEDRO CC(C)(O)c1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000295672596 334226503 /nfs/dbraw/zinc/22/65/03/334226503.db2.gz JLAPYIIGKLJPBC-LJQANCHMSA-N 1 0 308.425 4.049 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1SC ZINC000296327622 334231971 /nfs/dbraw/zinc/23/19/71/334231971.db2.gz HDECHXQRINVNQX-IPYPFGDCSA-N 1 0 304.459 4.150 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1OCC ZINC000296469973 334234289 /nfs/dbraw/zinc/23/42/89/334234289.db2.gz NTERAJSLZRZZKB-VYDXJSESSA-N 1 0 316.445 4.217 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000296617311 334235496 /nfs/dbraw/zinc/23/54/96/334235496.db2.gz WQSOGDSTBHHVFD-PJODQICGSA-N 1 0 319.246 4.108 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1OC(F)(F)F ZINC000296650151 334235641 /nfs/dbraw/zinc/23/56/41/334235641.db2.gz YTSFLMFBIYUOJL-AGIUHOORSA-N 1 0 312.335 4.318 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000299417467 334255260 /nfs/dbraw/zinc/25/52/60/334255260.db2.gz QWUYKMVKISSUIU-FQEVSTJZSA-N 1 0 307.441 4.277 20 30 DIEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)cc1OC ZINC000299731368 334257757 /nfs/dbraw/zinc/25/77/57/334257757.db2.gz XDEZDNWVJIWPFX-LSDHHAIUSA-N 1 0 304.434 4.217 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000187717541 334269514 /nfs/dbraw/zinc/26/95/14/334269514.db2.gz DZXOZHNDPZLXAG-LLVKDONJSA-N 1 0 304.315 4.169 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000048367612 334279533 /nfs/dbraw/zinc/27/95/33/334279533.db2.gz PFKDQTSFEZOLGX-GFCCVEGCSA-N 1 0 320.314 4.308 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000442994008 338441137 /nfs/dbraw/zinc/44/11/37/338441137.db2.gz BBOWLYBFPZSVPD-FUHWJXTLSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000531951291 334309115 /nfs/dbraw/zinc/30/91/15/334309115.db2.gz VDVSRQAOBWRHTR-LSDHHAIUSA-N 1 0 323.396 4.138 20 30 DIEDRO C[C@H](c1cccs1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000049726765 334356777 /nfs/dbraw/zinc/35/67/77/334356777.db2.gz WJQPVPGRPHSPPN-CQSZACIVSA-N 1 0 300.427 4.082 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000341683691 334470003 /nfs/dbraw/zinc/47/00/03/334470003.db2.gz MVWTZARQKYIHJB-PMACEKPBSA-N 1 0 306.384 4.352 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2cccnc21 ZINC000341696223 334471194 /nfs/dbraw/zinc/47/11/94/334471194.db2.gz LSZNOKBDHPGPOA-HXUWFJFHSA-N 1 0 313.404 4.274 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccnn1C)c1ccc(C(F)(F)F)cc1 ZINC000342199530 334521001 /nfs/dbraw/zinc/52/10/01/334521001.db2.gz IGOZEQICAJEMLZ-MRXNPFEDSA-N 1 0 323.362 4.236 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000342288415 334525158 /nfs/dbraw/zinc/52/51/58/334525158.db2.gz BPYCXSPLYIWEFH-UHFFFAOYSA-N 1 0 323.440 4.080 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1Cl ZINC000342623360 334555185 /nfs/dbraw/zinc/55/51/85/334555185.db2.gz YNXVDMNJLVSURP-ZDUSSCGKSA-N 1 0 306.837 4.472 20 30 DIEDRO C=CCC1(NC(=O)Nc2ccccc2C[NH2+]CC)CCCCC1 ZINC000415926701 334632778 /nfs/dbraw/zinc/63/27/78/334632778.db2.gz BNVVUGUEZJQSGR-UHFFFAOYSA-N 1 0 315.461 4.197 20 30 DIEDRO C=CCCCCCN(C)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415938809 334634295 /nfs/dbraw/zinc/63/42/95/334634295.db2.gz BHNFWAOUQQBQCJ-UHFFFAOYSA-N 1 0 303.450 4.006 20 30 DIEDRO CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417359538 334716439 /nfs/dbraw/zinc/71/64/39/334716439.db2.gz GRENYJYNWVMBJW-KUHUBIRLSA-N 1 0 305.425 4.244 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000417370757 334764622 /nfs/dbraw/zinc/76/46/22/334764622.db2.gz STNBHPINGBTKNL-PMACEKPBSA-N 1 0 318.420 4.308 20 30 DIEDRO CC[NH+](CC)Cc1ccc(NCc2ccc(C#N)c(C)c2)cc1 ZINC000443981022 338465209 /nfs/dbraw/zinc/46/52/09/338465209.db2.gz BVDLBWKKRGEICS-UHFFFAOYSA-N 1 0 307.441 4.321 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)ccc1C#N ZINC000443999795 338466414 /nfs/dbraw/zinc/46/64/14/338466414.db2.gz DNBAYOTWIKLLLY-GOSISDBHSA-N 1 0 310.372 4.009 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(F)ccc1F ZINC000343698785 335189029 /nfs/dbraw/zinc/18/90/29/335189029.db2.gz UNCRJKYTTIZRHZ-SFHVURJKSA-N 1 0 300.352 4.272 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1COc2ccccc21 ZINC000343930645 335202805 /nfs/dbraw/zinc/20/28/05/335202805.db2.gz LZBAAWLAPRHLLS-PXNSSMCTSA-N 1 0 318.420 4.092 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cc(-n2ccnc2)cs1)c1ccccc1 ZINC000344298532 335238219 /nfs/dbraw/zinc/23/82/19/335238219.db2.gz FHCNBNDFDROIHX-GOSISDBHSA-N 1 0 322.437 4.068 20 30 DIEDRO COc1ccc(C2(C[NH2+]CC(C)(C)CCC#N)CCC2)cc1 ZINC000344300965 335238396 /nfs/dbraw/zinc/23/83/96/335238396.db2.gz SIUOMXKRCWESSM-UHFFFAOYSA-N 1 0 300.446 4.036 20 30 DIEDRO CC(C)CC1(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000344633940 335265550 /nfs/dbraw/zinc/26/55/50/335265550.db2.gz WHRWFSLTPPFXCN-UHFFFAOYSA-N 1 0 300.446 4.285 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)s1 ZINC000344869868 335281749 /nfs/dbraw/zinc/28/17/49/335281749.db2.gz DHFBEFPLZTVCFJ-MRXNPFEDSA-N 1 0 310.422 4.156 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2cc(C#N)cs2)c2ccc(F)cc2O1 ZINC000345029522 335293041 /nfs/dbraw/zinc/29/30/41/335293041.db2.gz NTAQIKAYBFGYBT-HNNXBMFYSA-N 1 0 316.401 4.151 20 30 DIEDRO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(C#N)c(F)c1 ZINC000346224262 335386069 /nfs/dbraw/zinc/38/60/69/335386069.db2.gz WRVSNDLCOYBAOF-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1c(C)noc1C ZINC000346195397 335389043 /nfs/dbraw/zinc/38/90/43/335389043.db2.gz OGDLLJHMPSLXHY-MGPLVRAMSA-N 1 0 301.365 4.104 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000444689538 338482805 /nfs/dbraw/zinc/48/28/05/338482805.db2.gz NZHTXEUVOVHZJF-CQSZACIVSA-N 1 0 304.482 4.317 20 30 DIEDRO C=C(C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000346774603 335439611 /nfs/dbraw/zinc/43/96/11/335439611.db2.gz FMIAPVWTFMSLPE-GOSISDBHSA-N 1 0 311.425 4.458 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444783027 338488572 /nfs/dbraw/zinc/48/85/72/338488572.db2.gz KCFLDJVYCCBOOZ-SFHVURJKSA-N 1 0 301.474 4.048 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000348687296 335602477 /nfs/dbraw/zinc/60/24/77/335602477.db2.gz UBTCVHGMYAUDRB-LIRRHRJNSA-N 1 0 321.424 4.080 20 30 DIEDRO C=CC[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000348812033 335608683 /nfs/dbraw/zinc/60/86/83/335608683.db2.gz UWPTUMNUNCMZJE-NSHDSACASA-N 1 0 308.141 4.218 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000093492063 335652864 /nfs/dbraw/zinc/65/28/64/335652864.db2.gz AXBGBXJXOHEBAZ-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc(F)c(F)c(F)c1 ZINC000532207360 335917719 /nfs/dbraw/zinc/91/77/19/335917719.db2.gz BYFPSGPMBJVKGW-WDEREUQCSA-N 1 0 304.315 4.387 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1 ZINC000532207357 335917855 /nfs/dbraw/zinc/91/78/55/335917855.db2.gz BYFPSGPMBJVKGW-GHMZBOCLSA-N 1 0 304.315 4.387 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2(c3ccc(OC)cc3)CC2)c1 ZINC000520246987 335948728 /nfs/dbraw/zinc/94/87/28/335948728.db2.gz MVRHEEHEBDHPFY-UHFFFAOYSA-N 1 0 309.409 4.039 20 30 DIEDRO COc1cccc2c1CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)C2 ZINC000192445969 336032928 /nfs/dbraw/zinc/03/29/28/336032928.db2.gz RJOXQMLEDTYQDK-ICSRJNTNSA-N 1 0 320.436 4.187 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000330352795 336176020 /nfs/dbraw/zinc/17/60/20/336176020.db2.gz NTLWUXVERJJSPX-CQSZACIVSA-N 1 0 318.417 4.046 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695800 336179217 /nfs/dbraw/zinc/17/92/17/336179217.db2.gz VAVBJGNHYZAWJL-NVXWUHKLSA-N 1 0 324.428 4.009 20 30 DIEDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000324413777 336213778 /nfs/dbraw/zinc/21/37/78/336213778.db2.gz WMZJLUZVYYAMAA-DYESRHJHSA-N 1 0 321.468 4.292 20 30 DIEDRO CCC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000352384539 336215590 /nfs/dbraw/zinc/21/55/90/336215590.db2.gz WRRCENHSMJHBRI-UHFFFAOYSA-N 1 0 322.456 4.086 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)sc1Br ZINC000352704378 336231398 /nfs/dbraw/zinc/23/13/98/336231398.db2.gz JKVPSAQGOJJURZ-JTQLQIEISA-N 1 0 313.264 4.164 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCCc2occc21 ZINC000192749276 336260378 /nfs/dbraw/zinc/26/03/78/336260378.db2.gz HTMIBDQGGAYILI-KRWDZBQOSA-N 1 0 312.438 4.052 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccccc2F)C(C)C)cc1C#N ZINC000532745224 336269253 /nfs/dbraw/zinc/26/92/53/336269253.db2.gz VEZWIVACVFUSKB-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO COc1ccc(CN(C)[C@@H](C)c2cc(F)ccc2F)cc1C#N ZINC000532745849 336269385 /nfs/dbraw/zinc/26/93/85/336269385.db2.gz KHJFLLDWKRFMRR-LBPRGKRZSA-N 1 0 316.351 4.038 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000192931899 336284991 /nfs/dbraw/zinc/28/49/91/336284991.db2.gz USCGJCWPNZCUMT-UWJYYQICSA-N 1 0 319.452 4.046 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000192999259 336286777 /nfs/dbraw/zinc/28/67/77/336286777.db2.gz YBAWNDSAQAPDGH-FOIQADDNSA-N 1 0 324.424 4.399 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000192999222 336286783 /nfs/dbraw/zinc/28/67/83/336286783.db2.gz YBAWNDSAQAPDGH-YWZLYKJASA-N 1 0 324.424 4.399 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193018594 336286992 /nfs/dbraw/zinc/28/69/92/336286992.db2.gz PNRYBXZKAMXTAR-RDTXWAMCSA-N 1 0 324.449 4.477 20 30 DIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000301225039 336295540 /nfs/dbraw/zinc/29/55/40/336295540.db2.gz CYSUYXSWMUULAB-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000301440157 336306940 /nfs/dbraw/zinc/30/69/40/336306940.db2.gz UADIMPCRMVWGID-QAPCUYQASA-N 1 0 311.454 4.115 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2ncc(-c3ccccc3)s2)CC1 ZINC000301501145 336310717 /nfs/dbraw/zinc/31/07/17/336310717.db2.gz GCFVFUPMQWXSDA-UHFFFAOYSA-N 1 0 313.470 4.263 20 30 DIEDRO N#Cc1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000301543597 336313707 /nfs/dbraw/zinc/31/37/07/336313707.db2.gz SRUQRWRWYSQRJZ-MRXNPFEDSA-N 1 0 315.417 4.008 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(C#N)cc2)CC1 ZINC000301657314 336321254 /nfs/dbraw/zinc/32/12/54/336321254.db2.gz IMBADTOHMUUJSG-KRWDZBQOSA-N 1 0 311.473 4.039 20 30 DIEDRO CC1CC[NH+](C2CCC(Nc3cccc(F)c3C#N)CC2)CC1 ZINC000301760218 336328165 /nfs/dbraw/zinc/32/81/65/336328165.db2.gz CFOLFTGFBDVCAB-UHFFFAOYSA-N 1 0 315.436 4.152 20 30 DIEDRO C[C@@H]([NH2+]C1(CNc2cccc(C#N)n2)CCCC1)c1ccccc1 ZINC000301826364 336332615 /nfs/dbraw/zinc/33/26/15/336332615.db2.gz JEAOGNGMRGSUPI-MRXNPFEDSA-N 1 0 320.440 4.029 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccco1 ZINC000514106391 336361112 /nfs/dbraw/zinc/36/11/12/336361112.db2.gz YDRSDOBNDCGMQT-IRXDYDNUSA-N 1 0 314.429 4.307 20 30 DIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C)s2)cc(OC)c1OC ZINC000105478289 336387654 /nfs/dbraw/zinc/38/76/54/336387654.db2.gz USDGIRBHHXBIOR-UHFFFAOYSA-N 1 0 317.454 4.092 20 30 DIEDRO C=CCc1cc(C[NH2+]Cc2ccccc2C)cc(OC)c1OC ZINC000105478329 336387677 /nfs/dbraw/zinc/38/76/77/336387677.db2.gz BJHFNTBUCJQZTD-UHFFFAOYSA-N 1 0 311.425 4.031 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)cc1 ZINC000353237136 336407615 /nfs/dbraw/zinc/40/76/15/336407615.db2.gz RWGLKVNNYNRKGV-IBGZPJMESA-N 1 0 309.409 4.173 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(OC)cc1 ZINC000353410634 336416116 /nfs/dbraw/zinc/41/61/16/336416116.db2.gz IJRRJVJRDVLMIV-VQTJNVASSA-N 1 0 306.409 4.295 20 30 DIEDRO Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000353415740 336416456 /nfs/dbraw/zinc/41/64/56/336416456.db2.gz IJCRPIHQYFDWKF-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1ccco1 ZINC000353521590 336422372 /nfs/dbraw/zinc/42/23/72/336422372.db2.gz QILNPEVOCHDHHH-GOSISDBHSA-N 1 0 307.397 4.262 20 30 DIEDRO CC1CCC(OC2CC[NH+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000353524657 336422450 /nfs/dbraw/zinc/42/24/50/336422450.db2.gz DUYUQXYSPKYSOR-UHFFFAOYSA-N 1 0 318.486 4.179 20 30 DIEDRO Cc1cc2cc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)ccc2[nH]1 ZINC000353622993 336429526 /nfs/dbraw/zinc/42/95/26/336429526.db2.gz DRDPHBMTPRSIKQ-FQEVSTJZSA-N 1 0 301.393 4.125 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(Cl)cc1 ZINC000353630777 336430339 /nfs/dbraw/zinc/43/03/39/336430339.db2.gz NRKWZWFGEKQWGS-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000353903042 336447024 /nfs/dbraw/zinc/44/70/24/336447024.db2.gz VJCPCXWJDKBGEA-SFHVURJKSA-N 1 0 300.352 4.490 20 30 DIEDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353910873 336447345 /nfs/dbraw/zinc/44/73/45/336447345.db2.gz ALCQQMUEQPEVIG-IBGZPJMESA-N 1 0 323.396 4.428 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccccc1 ZINC000353914014 336447658 /nfs/dbraw/zinc/44/76/58/336447658.db2.gz JZPUOUPJJWQMPA-QGZVFWFLSA-N 1 0 300.352 4.490 20 30 DIEDRO C[C@@H](C[NH2+][C@H](CCCC#N)c1ccccc1)CC1CCOCC1 ZINC000353913088 336447686 /nfs/dbraw/zinc/44/76/86/336447686.db2.gz HCFSPCAPPIFAHB-YLJYHZDGSA-N 1 0 314.473 4.464 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000358354209 336625708 /nfs/dbraw/zinc/62/57/08/336625708.db2.gz PRPIDXNCNSDXMG-INIZCTEOSA-N 1 0 313.363 4.481 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(C#N)cc1F ZINC000358577830 336635254 /nfs/dbraw/zinc/63/52/54/336635254.db2.gz VIXGDLQUPTZVTO-ACJLOTCBSA-N 1 0 310.372 4.262 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]CCCC#N)c2cc(Br)ccc21 ZINC000358995543 336651888 /nfs/dbraw/zinc/65/18/88/336651888.db2.gz ZPJPDVCZHADXBA-CQSZACIVSA-N 1 0 307.235 4.065 20 30 DIEDRO CCOCCC1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360655285 336717614 /nfs/dbraw/zinc/71/76/14/336717614.db2.gz DAQHUEYYTVFMRM-IBGZPJMESA-N 1 0 312.457 4.122 20 30 DIEDRO Cc1csc([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000360838349 336723937 /nfs/dbraw/zinc/72/39/37/336723937.db2.gz BZUOYWGNWKLQNS-SUMWQHHRSA-N 1 0 311.454 4.442 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]C1CCC2(CC2)CC1 ZINC000362915150 336814673 /nfs/dbraw/zinc/81/46/73/336814673.db2.gz ZIOCWMRODDXKAK-UHFFFAOYSA-N 1 0 300.471 4.104 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000362928755 336815157 /nfs/dbraw/zinc/81/51/57/336815157.db2.gz WEHNCRZVNHHBOJ-GOSISDBHSA-N 1 0 307.372 4.442 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(F)c(F)cc1F ZINC000418149480 336898073 /nfs/dbraw/zinc/89/80/73/336898073.db2.gz VCTKFJAJAZDKER-SFHVURJKSA-N 1 0 316.326 4.143 20 30 DIEDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374691884 336995214 /nfs/dbraw/zinc/99/52/14/336995214.db2.gz FGQWNEOVLWFEBR-INIZCTEOSA-N 1 0 318.420 4.223 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375336306 337008288 /nfs/dbraw/zinc/00/82/88/337008288.db2.gz NDAMOFVSTNTMHR-UHFFFAOYSA-N 1 0 303.425 4.062 20 30 DIEDRO N#CCSCCC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000375631652 337015200 /nfs/dbraw/zinc/01/52/00/337015200.db2.gz QNVORJVWPGSWQF-KRWDZBQOSA-N 1 0 324.440 4.195 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@H]1CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000376613117 337038036 /nfs/dbraw/zinc/03/80/36/337038036.db2.gz YIRGMVHWNLOMDR-DLBZAZTESA-N 1 0 307.384 4.131 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000376613120 337038102 /nfs/dbraw/zinc/03/81/02/337038102.db2.gz YIRGMVHWNLOMDR-SJORKVTESA-N 1 0 307.384 4.131 20 30 DIEDRO COc1ccc(C[N@H+](CCCC#N)C2CCCCC2)cc1OC ZINC000123374756 337045265 /nfs/dbraw/zinc/04/52/65/337045265.db2.gz UFRYAGSRFRLOKW-UHFFFAOYSA-N 1 0 316.445 4.142 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000377413952 337052413 /nfs/dbraw/zinc/05/24/13/337052413.db2.gz SRNAHSMAAGNJKJ-HBMCJLEFSA-N 1 0 320.436 4.377 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000377510466 337053969 /nfs/dbraw/zinc/05/39/69/337053969.db2.gz GFGNCUCSMHYRLW-OAHLLOKOSA-N 1 0 307.235 4.280 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000377579213 337055510 /nfs/dbraw/zinc/05/55/10/337055510.db2.gz IJTBRELVRDYESM-CDHQVMDDSA-N 1 0 306.409 4.129 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1ccccc1C[NH2+]CC)c1ccccc1 ZINC000582610740 337113657 /nfs/dbraw/zinc/11/36/57/337113657.db2.gz WVBXCUAWIXIZNI-INIZCTEOSA-N 1 0 308.425 4.095 20 30 DIEDRO Cc1ccccc1OCCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538507638 337131785 /nfs/dbraw/zinc/13/17/85/337131785.db2.gz RZENANSEMPCPGE-HNNXBMFYSA-N 1 0 312.388 4.126 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000173398425 337135660 /nfs/dbraw/zinc/13/56/60/337135660.db2.gz UNOYDDFSTQQHSP-HNNXBMFYSA-N 1 0 304.503 4.100 20 30 DIEDRO CN1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000174460407 337142028 /nfs/dbraw/zinc/14/20/28/337142028.db2.gz JPSJUERFWROORY-RDJZCZTQSA-N 1 0 319.518 4.051 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000514665448 337143546 /nfs/dbraw/zinc/14/35/46/337143546.db2.gz HICIHCHYZCCVNO-LJQANCHMSA-N 1 0 308.400 4.252 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538508467 337148483 /nfs/dbraw/zinc/14/84/83/337148483.db2.gz NLWNHFUAMXISRG-CQSZACIVSA-N 1 0 312.388 4.255 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(C#N)cc1 ZINC000177200533 337154649 /nfs/dbraw/zinc/15/46/49/337154649.db2.gz OPZFXCDOUBLHLP-HZPDHXFCSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccsc1 ZINC000177823051 337157646 /nfs/dbraw/zinc/15/76/46/337157646.db2.gz CDVDDNJPTPZMBL-ZDUSSCGKSA-N 1 0 302.468 4.204 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)o1 ZINC000177823394 337157675 /nfs/dbraw/zinc/15/76/75/337157675.db2.gz WTZOLJOZPMMTFC-AWEZNQCLSA-N 1 0 300.427 4.044 20 30 DIEDRO N#Cc1csc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000180658742 337177179 /nfs/dbraw/zinc/17/71/79/337177179.db2.gz QVFPWDATGLFRJJ-UHFFFAOYSA-N 1 0 319.433 4.390 20 30 DIEDRO Cc1cc(C[NH2+]C2CCC(C)(C#N)CC2)ccc1Br ZINC000459669822 337264746 /nfs/dbraw/zinc/26/47/46/337264746.db2.gz UZRYBCQTVWFWTA-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000575097543 338520060 /nfs/dbraw/zinc/52/00/60/338520060.db2.gz AWHFLXZJFZEXPW-UHFFFAOYSA-N 1 0 321.207 4.163 20 30 DIEDRO C=CCC1(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)CCC1 ZINC000189013914 337276556 /nfs/dbraw/zinc/27/65/56/337276556.db2.gz HXMWZZMQUXASKY-HNNXBMFYSA-N 1 0 323.440 4.104 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F ZINC000583232989 337281342 /nfs/dbraw/zinc/28/13/42/337281342.db2.gz NCKUXRSJAXKIJB-HXPMCKFVSA-N 1 0 312.363 4.217 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F ZINC000583232987 337281347 /nfs/dbraw/zinc/28/13/47/337281347.db2.gz NCKUXRSJAXKIJB-BUXKBTBVSA-N 1 0 312.363 4.217 20 30 DIEDRO C[N@@H+](CCC#N)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000063764028 337289050 /nfs/dbraw/zinc/28/90/50/337289050.db2.gz BRKCMQCXLSEZQK-UHFFFAOYSA-N 1 0 315.392 4.039 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583266762 337296473 /nfs/dbraw/zinc/29/64/73/337296473.db2.gz VWTVGYLJKLGZEC-KSSFIOAISA-N 1 0 321.380 4.050 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1F ZINC000192205516 337305190 /nfs/dbraw/zinc/30/51/90/337305190.db2.gz QSYKWESODYUGKD-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)ccc1C#N ZINC000583292775 337308175 /nfs/dbraw/zinc/30/81/75/337308175.db2.gz BVDWYBMLCZMUPW-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO N#CCC[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000193305335 337309646 /nfs/dbraw/zinc/30/96/46/337309646.db2.gz HPUOUUMYTMRKJF-FQEVSTJZSA-N 1 0 320.436 4.189 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)Sc1ccccc1 ZINC000583722979 337318325 /nfs/dbraw/zinc/31/83/25/337318325.db2.gz WQSCGTUYMKIUKH-AUUYWEPGSA-N 1 0 308.450 4.316 20 30 DIEDRO CC1(C)[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1Oc1ccccc1 ZINC000583803274 337335116 /nfs/dbraw/zinc/33/51/16/337335116.db2.gz ZVLVSDYNZOQMFZ-HWMSQKFYSA-N 1 0 312.457 4.152 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000584484998 337349656 /nfs/dbraw/zinc/34/96/56/337349656.db2.gz KMSBCKHXZTUMHG-SJLPKXTDSA-N 1 0 321.848 4.048 20 30 DIEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029825214 337389896 /nfs/dbraw/zinc/38/98/96/337389896.db2.gz CZVNPHMFQPKMNE-KRWDZBQOSA-N 1 0 317.392 4.079 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000123736258 337401038 /nfs/dbraw/zinc/40/10/38/337401038.db2.gz OLRCMKNPIUWUPW-UHFFFAOYSA-N 1 0 321.449 4.481 20 30 DIEDRO C[C@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000194621576 337462951 /nfs/dbraw/zinc/46/29/51/337462951.db2.gz GPFBPFRXSYZDDN-LPHOPBHVSA-N 1 0 322.456 4.132 20 30 DIEDRO COc1cc(C[NH2+]CCCCC#N)ccc1OCc1ccccc1 ZINC000237139887 337468336 /nfs/dbraw/zinc/46/83/36/337468336.db2.gz HAPNZNCAWVTJRQ-UHFFFAOYSA-N 1 0 324.424 4.058 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)s1 ZINC000421348244 337527862 /nfs/dbraw/zinc/52/78/62/337527862.db2.gz HCSLTWWSPBMYOI-UHFFFAOYSA-N 1 0 303.456 4.024 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421371451 337533229 /nfs/dbraw/zinc/53/32/29/337533229.db2.gz XUOIQSWWPFJKBZ-UXHICEINSA-N 1 0 324.399 4.016 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)CC2 ZINC000572170999 337594816 /nfs/dbraw/zinc/59/48/16/337594816.db2.gz SRAKUOOEOXEFPG-KRWDZBQOSA-N 1 0 316.326 4.354 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccccc1 ZINC000268799971 337635345 /nfs/dbraw/zinc/63/53/45/337635345.db2.gz GAKRGKZKNWRGAS-OAHLLOKOSA-N 1 0 324.424 4.018 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccco1 ZINC000276404160 337664838 /nfs/dbraw/zinc/66/48/38/337664838.db2.gz DSOKBUWWNXICDY-QGZVFWFLSA-N 1 0 311.429 4.072 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423428213 337717177 /nfs/dbraw/zinc/71/71/77/337717177.db2.gz GFSHXIGRIJYOOO-FZKQIMNGSA-N 1 0 321.424 4.093 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)C1CC1 ZINC000423450858 337720030 /nfs/dbraw/zinc/72/00/30/337720030.db2.gz XPQNPZZDAWHKMY-SJORKVTESA-N 1 0 300.446 4.205 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc4cc[nH]c4c3)CCC2)cc1 ZINC000527730107 337759337 /nfs/dbraw/zinc/75/93/37/337759337.db2.gz ZKHQMXWXSODXHF-UHFFFAOYSA-N 1 0 301.393 4.209 20 30 DIEDRO C=CC(C)(C)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000527924672 337775596 /nfs/dbraw/zinc/77/55/96/337775596.db2.gz JGRORDOCZXPMEW-UHFFFAOYSA-N 1 0 312.457 4.011 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000527935321 337777011 /nfs/dbraw/zinc/77/70/11/337777011.db2.gz LSDKBKWHFITIOL-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000424191777 337805106 /nfs/dbraw/zinc/80/51/06/337805106.db2.gz HZTURTYULZNISE-SWLSCSKDSA-N 1 0 300.402 4.336 20 30 DIEDRO CCC(CC)(C[NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000424192610 337805247 /nfs/dbraw/zinc/80/52/47/337805247.db2.gz SZKMNXMMPPMBPB-UHFFFAOYSA-N 1 0 322.493 4.197 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000424297611 337817116 /nfs/dbraw/zinc/81/71/16/337817116.db2.gz QZPLYQWJFMSRSR-HTOAHKCRSA-N 1 0 311.878 4.074 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000424326455 337821300 /nfs/dbraw/zinc/82/13/00/337821300.db2.gz LTKDBZXSLLMBAI-LJHODMEESA-N 1 0 310.441 4.061 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccc(Br)c21 ZINC000424326005 337821344 /nfs/dbraw/zinc/82/13/44/337821344.db2.gz LPUFPHZCYKOXKJ-NWJSVONSSA-N 1 0 319.246 4.279 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccc(F)cc2)cc1 ZINC000424328724 337821650 /nfs/dbraw/zinc/82/16/50/337821650.db2.gz OGACHRFKYOGMAS-QMIHWGKISA-N 1 0 324.399 4.206 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)C1 ZINC000424335487 337822708 /nfs/dbraw/zinc/82/27/08/337822708.db2.gz WTDQBIBGSWVTSJ-DBVUQKKJSA-N 1 0 308.400 4.391 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2sccc2C)ccc1OC ZINC000057967548 337867647 /nfs/dbraw/zinc/86/76/47/337867647.db2.gz CWKZXZXEFDBQOD-UHFFFAOYSA-N 1 0 317.454 4.310 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C(=O)N[C@H](C)CC)c1)C1CC1 ZINC000120251199 337870227 /nfs/dbraw/zinc/87/02/27/337870227.db2.gz IADJFXZFZYQMAU-DNVCBOLYSA-N 1 0 314.473 4.049 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669505 337871756 /nfs/dbraw/zinc/87/17/56/337871756.db2.gz PYDLAGXYSIMPOZ-CABCVRRESA-N 1 0 315.486 4.328 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000537095293 337889525 /nfs/dbraw/zinc/88/95/25/337889525.db2.gz RZHVCIPTOIFNBV-CZUORRHYSA-N 1 0 301.455 4.053 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000121384801 337890963 /nfs/dbraw/zinc/89/09/63/337890963.db2.gz VUFAQIOHSZAQRC-HXUWFJFHSA-N 1 0 306.409 4.198 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Nc1ccccc1 ZINC000537294155 337928838 /nfs/dbraw/zinc/92/88/38/337928838.db2.gz ZHFOOFDZCWFOBJ-UZLBHIALSA-N 1 0 307.441 4.346 20 30 DIEDRO CCO[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1)C1CCCC1 ZINC000537294974 337928924 /nfs/dbraw/zinc/92/89/24/337928924.db2.gz IFXOQTQVSIFUKG-HNAYVOBHSA-N 1 0 300.446 4.194 20 30 DIEDRO COc1ccc([C@H](C)CC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000537296290 337928938 /nfs/dbraw/zinc/92/89/38/337928938.db2.gz YIRKUDVIWWDMLZ-HZPDHXFCSA-N 1 0 308.425 4.411 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(C#N)c(F)c1 ZINC000537407008 337933610 /nfs/dbraw/zinc/93/36/10/337933610.db2.gz NCGBACXTEDWPIU-CYBMUJFWSA-N 1 0 312.363 4.219 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000537406804 337933611 /nfs/dbraw/zinc/93/36/11/337933611.db2.gz GXDHJQOOUHLBJM-YPMHNXCESA-N 1 0 302.418 4.349 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000537406790 337933641 /nfs/dbraw/zinc/93/36/41/337933641.db2.gz GXDHJQOOUHLBJM-AAEUAGOBSA-N 1 0 302.418 4.349 20 30 DIEDRO C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000537408980 337933885 /nfs/dbraw/zinc/93/38/85/337933885.db2.gz UJHDUYFDWXTJSN-HNNXBMFYSA-N 1 0 308.400 4.371 20 30 DIEDRO Cc1ccc(SCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000537410534 337934042 /nfs/dbraw/zinc/93/40/42/337934042.db2.gz JNXPJRKPNPMVKE-CQSZACIVSA-N 1 0 314.429 4.449 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000537869394 337963934 /nfs/dbraw/zinc/96/39/34/337963934.db2.gz PLOJPYXXZOLIMH-FPOVZHCZSA-N 1 0 323.436 4.119 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(CCC#N)CC2)c(Br)c1 ZINC000515643336 337994329 /nfs/dbraw/zinc/99/43/29/337994329.db2.gz NPXIURLPJYPMLJ-UHFFFAOYSA-N 1 0 321.262 4.273 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CC(C)(C)c1cccs1 ZINC000083601837 337996605 /nfs/dbraw/zinc/99/66/05/337996605.db2.gz UWFQXGZPDABVGA-UHFFFAOYSA-N 1 0 301.455 4.380 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCn1ccc3ccccc31)CC2 ZINC000516217344 338007767 /nfs/dbraw/zinc/00/77/67/338007767.db2.gz JNFKBZXCUMSIRX-HXUWFJFHSA-N 1 0 315.420 4.180 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](C)Cc2cccc3[nH]ccc32)c1 ZINC000426405351 338031012 /nfs/dbraw/zinc/03/10/12/338031012.db2.gz QODXOGGBKQREAL-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO CCCc1nc(C)c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000428202883 338042244 /nfs/dbraw/zinc/04/22/44/338042244.db2.gz FGJCFYNCQNYNSN-UHFFFAOYSA-N 1 0 311.429 4.218 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CCC(C)C)c2ccoc2)CC1 ZINC000428231927 338043473 /nfs/dbraw/zinc/04/34/73/338043473.db2.gz MCLUSKJVYZGYOJ-IBGZPJMESA-N 1 0 304.478 4.387 20 30 DIEDRO C=CC[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000428391419 338049950 /nfs/dbraw/zinc/04/99/50/338049950.db2.gz RFPZGDUVMLYEJE-UHFFFAOYSA-N 1 0 308.141 4.086 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1C#N)[C@@H](C)Cc1ccsc1 ZINC000428438291 338051567 /nfs/dbraw/zinc/05/15/67/338051567.db2.gz JTDTWBRULUMMOY-ZDUSSCGKSA-N 1 0 302.418 4.212 20 30 DIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)ccc1OC ZINC000428457323 338052937 /nfs/dbraw/zinc/05/29/37/338052937.db2.gz WQTGNZLIAAQUKB-DLBZAZTESA-N 1 0 301.430 4.025 20 30 DIEDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000429256069 338074910 /nfs/dbraw/zinc/07/49/10/338074910.db2.gz OWXHCYZGVWSMIS-MRXNPFEDSA-N 1 0 317.452 4.056 20 30 DIEDRO C[C@H]([NH2+]Cc1sccc1Br)c1cccc(C#N)c1 ZINC000148113928 338078391 /nfs/dbraw/zinc/07/83/91/338078391.db2.gz WRIJJEKNDGGNIY-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CCCCC#N ZINC000429372096 338078809 /nfs/dbraw/zinc/07/88/09/338078809.db2.gz KXIZQDISLCUKRC-HNNXBMFYSA-N 1 0 321.262 4.356 20 30 DIEDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CCCCC#N ZINC000429372097 338078838 /nfs/dbraw/zinc/07/88/38/338078838.db2.gz KXIZQDISLCUKRC-OAHLLOKOSA-N 1 0 321.262 4.356 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1CC ZINC000429783208 338089836 /nfs/dbraw/zinc/08/98/36/338089836.db2.gz IAQSBWZDNLHHDI-CABCVRRESA-N 1 0 318.486 4.072 20 30 DIEDRO Cc1cc(F)ccc1C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000430107908 338097174 /nfs/dbraw/zinc/09/71/74/338097174.db2.gz RCVPWLZUVXRFAO-UHFFFAOYSA-N 1 0 314.429 4.447 20 30 DIEDRO N#CCC1(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000430720953 338112259 /nfs/dbraw/zinc/11/22/59/338112259.db2.gz BIDDHEWTNDIIHP-UHFFFAOYSA-N 1 0 304.437 4.124 20 30 DIEDRO N#CCC1(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000430727648 338112570 /nfs/dbraw/zinc/11/25/70/338112570.db2.gz HTKUTZZIJKGFOA-LJQANCHMSA-N 1 0 308.400 4.393 20 30 DIEDRO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC2(CC#N)CC2)cc1 ZINC000430740569 338112999 /nfs/dbraw/zinc/11/29/99/338112999.db2.gz QEKUALRTXUEYSS-RTBURBONSA-N 1 0 312.457 4.393 20 30 DIEDRO N#CCC1(C[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000430742610 338113077 /nfs/dbraw/zinc/11/30/77/338113077.db2.gz PJNRQVAJLDPENO-HNNXBMFYSA-N 1 0 319.246 4.110 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430766896 338114337 /nfs/dbraw/zinc/11/43/37/338114337.db2.gz IDEHJYGXCIDPPN-HNNXBMFYSA-N 1 0 300.471 4.371 20 30 DIEDRO C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000432427567 338156267 /nfs/dbraw/zinc/15/62/67/338156267.db2.gz ZKFAVEOLKLYAID-TUBUQKNSSA-N 1 0 318.436 4.332 20 30 DIEDRO C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000432450571 338156694 /nfs/dbraw/zinc/15/66/94/338156694.db2.gz XPXZEWMLTOLTMK-HLIUYOAVSA-N 1 0 318.436 4.332 20 30 DIEDRO Cc1cccc2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)cn21 ZINC000433012849 338176114 /nfs/dbraw/zinc/17/61/14/338176114.db2.gz VDJZEPKTEDWSNK-LJQANCHMSA-N 1 0 318.424 4.168 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000433014932 338176255 /nfs/dbraw/zinc/17/62/55/338176255.db2.gz UQPKXNDUSLTKTR-LJQANCHMSA-N 1 0 307.372 4.222 20 30 DIEDRO Cc1cccc(OCC[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433026670 338177070 /nfs/dbraw/zinc/17/70/70/338177070.db2.gz HBZGHEPDANDBSY-HXUWFJFHSA-N 1 0 308.425 4.399 20 30 DIEDRO Cc1cccc(OCC[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433026669 338177110 /nfs/dbraw/zinc/17/71/10/338177110.db2.gz HBZGHEPDANDBSY-FQEVSTJZSA-N 1 0 308.425 4.399 20 30 DIEDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000433242629 338187505 /nfs/dbraw/zinc/18/75/05/338187505.db2.gz BIHKGUUVAAGGII-GFCCVEGCSA-N 1 0 319.246 4.085 20 30 DIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000433243607 338187663 /nfs/dbraw/zinc/18/76/63/338187663.db2.gz IERYGYKBXQHSLZ-UHFFFAOYSA-N 1 0 302.780 4.177 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433297542 338190126 /nfs/dbraw/zinc/19/01/26/338190126.db2.gz WSUWQTYSJKXPJF-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433297543 338190209 /nfs/dbraw/zinc/19/02/09/338190209.db2.gz WSUWQTYSJKXPJF-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1F ZINC000433315926 338191719 /nfs/dbraw/zinc/19/17/19/338191719.db2.gz CSWRKANFLTYHTD-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434682839 338223406 /nfs/dbraw/zinc/22/34/06/338223406.db2.gz BFQJFVGGNNXVEO-INIZCTEOSA-N 1 0 301.478 4.144 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000435738793 338247126 /nfs/dbraw/zinc/24/71/26/338247126.db2.gz CJZXLRUAKKADLQ-ABAIWWIYSA-N 1 0 318.219 4.203 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000435738796 338247228 /nfs/dbraw/zinc/24/72/28/338247228.db2.gz CJZXLRUAKKADLQ-XHDPSFHLSA-N 1 0 318.219 4.203 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000435745163 338247685 /nfs/dbraw/zinc/24/76/85/338247685.db2.gz KENPCPSNFQYMJD-KXBFYZLASA-N 1 0 315.388 4.157 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000435749856 338247779 /nfs/dbraw/zinc/24/77/79/338247779.db2.gz LQHYXJWOZPQLTA-IFXJQAMLSA-N 1 0 315.388 4.157 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1OC ZINC000435787018 338249164 /nfs/dbraw/zinc/24/91/64/338249164.db2.gz KYAIIDGNPKJBSE-WGSAOQKQSA-N 1 0 323.436 4.296 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000436285977 338266030 /nfs/dbraw/zinc/26/60/30/338266030.db2.gz PXMZLBSVOCXIPM-NJAFHUGGSA-N 1 0 305.849 4.362 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000436300808 338267458 /nfs/dbraw/zinc/26/74/58/338267458.db2.gz KVXSLNSMFADYML-IEZWGBDMSA-N 1 0 303.446 4.107 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000436302913 338267711 /nfs/dbraw/zinc/26/77/11/338267711.db2.gz ASEZOUBYTQKCOO-YCRPNKLZSA-N 1 0 305.421 4.327 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000436304105 338267760 /nfs/dbraw/zinc/26/77/60/338267760.db2.gz FUKWHFPXWWTMHY-NEWSRXKRSA-N 1 0 303.421 4.156 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000436304279 338267881 /nfs/dbraw/zinc/26/78/81/338267881.db2.gz DDWPJEDUOMWOQW-XPKDYRNWSA-N 1 0 313.363 4.337 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1SCC ZINC000436305435 338267968 /nfs/dbraw/zinc/26/79/68/338267968.db2.gz GJPFJVBKYQHEOY-DAYGRLMNSA-N 1 0 305.487 4.430 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000436305812 338268072 /nfs/dbraw/zinc/26/80/72/338268072.db2.gz GSIKVEXCXYXSSA-XEZPLFJOSA-N 1 0 313.894 4.293 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000436305811 338268075 /nfs/dbraw/zinc/26/80/75/338268075.db2.gz GSIKVEXCXYXSSA-WWGRRREGSA-N 1 0 313.894 4.293 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000436312100 338268488 /nfs/dbraw/zinc/26/84/88/338268488.db2.gz JODYVVLNAWIRGB-WDYCEAGBSA-N 1 0 317.498 4.411 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000436314185 338268675 /nfs/dbraw/zinc/26/86/75/338268675.db2.gz YBUSUUDQTMIQGD-JQFCIGGWSA-N 1 0 321.848 4.125 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000436313412 338268725 /nfs/dbraw/zinc/26/87/25/338268725.db2.gz WTQUSNHTYOVDEI-HQRMLTQVSA-N 1 0 315.457 4.088 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000436315797 338268845 /nfs/dbraw/zinc/26/88/45/338268845.db2.gz QFVHULGTZOETKK-HOJAQTOUSA-N 1 0 315.432 4.332 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000436318849 338268943 /nfs/dbraw/zinc/26/89/43/338268943.db2.gz ZADOPKCAWLKBQE-XCRHUMRWSA-N 1 0 321.848 4.125 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000436318847 338268944 /nfs/dbraw/zinc/26/89/44/338268944.db2.gz ZADOPKCAWLKBQE-QBIMZIAESA-N 1 0 321.848 4.125 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000437790169 338321669 /nfs/dbraw/zinc/32/16/69/338321669.db2.gz XGIHPEQOVSRYKY-SJORKVTESA-N 1 0 320.436 4.302 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438197682 338336148 /nfs/dbraw/zinc/33/61/48/338336148.db2.gz DGJCBRHGWOXSMW-LEWJYISDSA-N 1 0 312.501 4.127 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(CSC)c2)c1 ZINC000438359063 338341164 /nfs/dbraw/zinc/34/11/64/338341164.db2.gz RNQDNKMWLJQJBY-UHFFFAOYSA-N 1 0 313.466 4.404 20 30 DIEDRO CCC[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000438790990 338352195 /nfs/dbraw/zinc/35/21/95/338352195.db2.gz LZDLNFFTWWKAKW-LJQANCHMSA-N 1 0 321.424 4.018 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)C1CC1 ZINC000438986417 338357754 /nfs/dbraw/zinc/35/77/54/338357754.db2.gz QKZAGBQMDZWTPY-HNNXBMFYSA-N 1 0 304.503 4.289 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)C1CC1 ZINC000439010987 338358363 /nfs/dbraw/zinc/35/83/63/338358363.db2.gz ZJSCSOMCJTWFDI-ZWKOTPCHSA-N 1 0 302.462 4.059 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)C1CC1 ZINC000439010983 338358425 /nfs/dbraw/zinc/35/84/25/338358425.db2.gz ZJSCSOMCJTWFDI-MSOLQXFVSA-N 1 0 302.462 4.059 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)C1CC1 ZINC000439084806 338360605 /nfs/dbraw/zinc/36/06/05/338360605.db2.gz MBIKCIAILLFOPU-NRFANRHFSA-N 1 0 323.484 4.383 20 30 DIEDRO CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1Cl ZINC000439429991 338369096 /nfs/dbraw/zinc/36/90/96/338369096.db2.gz JXEOMBKCJSAMHW-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO N#Cc1ccc(CN(CCC(F)(F)F)CC2CC2)c(Cl)c1 ZINC000439438222 338369378 /nfs/dbraw/zinc/36/93/78/338369378.db2.gz LPVLVQLDGZKAFP-UHFFFAOYSA-N 1 0 316.754 4.376 20 30 DIEDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc(C#N)cc1Cl ZINC000439440353 338369429 /nfs/dbraw/zinc/36/94/29/338369429.db2.gz OBOMTNPKTYVKBW-UHFFFAOYSA-N 1 0 319.861 4.121 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440542955 338389791 /nfs/dbraw/zinc/38/97/91/338389791.db2.gz IRKVOLYVVFBMGY-MRCYXTNMSA-N 1 0 324.468 4.289 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000440626469 338393038 /nfs/dbraw/zinc/39/30/38/338393038.db2.gz RBTJBGCPKMDAOT-AWEZNQCLSA-N 1 0 309.335 4.226 20 30 DIEDRO COc1cc2c(NCC3CCC(C#N)CC3)cc[nH+]c2cc1F ZINC000440637049 338393594 /nfs/dbraw/zinc/39/35/94/338393594.db2.gz LDLPBYGZFSXSDV-UHFFFAOYSA-N 1 0 313.376 4.124 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000441217205 338405571 /nfs/dbraw/zinc/40/55/71/338405571.db2.gz MNCIARJXUOUJGB-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO Cc1cc(Br)ccc1C[NH2+]CC1CCC(C#N)CC1 ZINC000441326971 338408422 /nfs/dbraw/zinc/40/84/22/338408422.db2.gz GVBBLQRWGUPBFW-UHFFFAOYSA-N 1 0 321.262 4.177 20 30 DIEDRO CCN(CC)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000442635401 338426311 /nfs/dbraw/zinc/42/63/11/338426311.db2.gz PMVKYSGKQDRMHX-RVKKMQEKSA-N 1 0 319.880 4.005 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000442780768 338430836 /nfs/dbraw/zinc/43/08/36/338430836.db2.gz LOFXLEUAJJFTKH-PBHICJAKSA-N 1 0 302.849 4.434 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000442786443 338431294 /nfs/dbraw/zinc/43/12/94/338431294.db2.gz XJSRQKRQTQLZJM-CVEARBPZSA-N 1 0 300.471 4.373 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CC2CCC(C#N)CC2)ccc1SC ZINC000442853753 338434870 /nfs/dbraw/zinc/43/48/70/338434870.db2.gz JPLMTZDIRDJRCP-NFOMZHRRSA-N 1 0 318.486 4.398 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1CCC(C#N)CC1 ZINC000442862025 338435777 /nfs/dbraw/zinc/43/57/77/338435777.db2.gz ZIMLMRFBHWTPQH-ZOJXTTQQSA-N 1 0 312.457 4.337 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000442867775 338436315 /nfs/dbraw/zinc/43/63/15/338436315.db2.gz MMYZKFNIQHGJJJ-WHXUTIOJSA-N 1 0 317.380 4.142 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000442873279 338437008 /nfs/dbraw/zinc/43/70/08/338437008.db2.gz KEXQGPIVMVVQEA-SMRJSYMMSA-N 1 0 312.457 4.074 20 30 DIEDRO C=CCSCC[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000446890865 338539886 /nfs/dbraw/zinc/53/98/86/338539886.db2.gz QFOCXTGEZDJUAX-HNNXBMFYSA-N 1 0 309.500 4.131 20 30 DIEDRO CC[C@H]([NH2+]CCc1cccc2cccnc21)c1ccc(C#N)cc1 ZINC000447528330 338554337 /nfs/dbraw/zinc/55/43/37/338554337.db2.gz IWQNRAWCNSDTKT-FQEVSTJZSA-N 1 0 315.420 4.390 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc(C#N)cc1 ZINC000447535252 338555096 /nfs/dbraw/zinc/55/50/96/338555096.db2.gz DTCZJIHNFUWQCA-IEBWSBKVSA-N 1 0 306.409 4.165 20 30 DIEDRO CCOc1cccc(CC[NH2+][C@H](CC)c2ccc(C#N)cc2)c1 ZINC000447576482 338558255 /nfs/dbraw/zinc/55/82/55/338558255.db2.gz YQUNMSBSWFPLMM-HXUWFJFHSA-N 1 0 308.425 4.240 20 30 DIEDRO CCOc1cccc(CC[NH2+][C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000447576481 338558285 /nfs/dbraw/zinc/55/82/85/338558285.db2.gz YQUNMSBSWFPLMM-FQEVSTJZSA-N 1 0 308.425 4.240 20 30 DIEDRO CCCCn1cc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)c(C)n1 ZINC000447576333 338558332 /nfs/dbraw/zinc/55/83/32/338558332.db2.gz XXRSSRHLSXMPJY-IBGZPJMESA-N 1 0 310.445 4.104 20 30 DIEDRO CCCCCn1cc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)c(C)n1 ZINC000447588198 338559823 /nfs/dbraw/zinc/55/98/23/338559823.db2.gz STTUWBPMDXYKPD-FQEVSTJZSA-N 1 0 324.472 4.494 20 30 DIEDRO CC[C@H]([NH2+]CCC1CCC(OC)CC1)c1ccc(C#N)cc1 ZINC000447603601 338561644 /nfs/dbraw/zinc/56/16/44/338561644.db2.gz XDJLULUKMANMSW-PPSBMQLTSA-N 1 0 300.446 4.194 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(C#N)cc1 ZINC000447603955 338561842 /nfs/dbraw/zinc/56/18/42/338561842.db2.gz ZQKFYRLKSVQBKQ-KRWDZBQOSA-N 1 0 309.369 4.016 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000449066583 338589980 /nfs/dbraw/zinc/58/99/80/338589980.db2.gz CXVXJLRDISGBPX-UHFFFAOYSA-N 1 0 312.335 4.147 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449159804 338597982 /nfs/dbraw/zinc/59/79/82/338597982.db2.gz IUTKEIILWCOSAX-UKYFPXCRSA-N 1 0 320.864 4.478 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000449179815 338599948 /nfs/dbraw/zinc/59/99/48/338599948.db2.gz XDOVBDIDKIVGRB-UHFFFAOYSA-N 1 0 302.384 4.417 20 30 DIEDRO CC1(C)C[C@H]([NH2+]C2CCC(C)(C#N)CC2)c2ccc(F)cc2O1 ZINC000449185780 338600540 /nfs/dbraw/zinc/60/05/40/338600540.db2.gz IJBKIDJOVMPDTR-RCDNUKIMSA-N 1 0 316.420 4.490 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000449188593 338600568 /nfs/dbraw/zinc/60/05/68/338600568.db2.gz SMLDKLLADNHICK-DNDYEEKYSA-N 1 0 302.384 4.417 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(c3ccccc3Cl)CC2)CC1 ZINC000449205765 338602350 /nfs/dbraw/zinc/60/23/50/338602350.db2.gz MAPRFKJQKYIEMQ-UHFFFAOYSA-N 1 0 302.849 4.434 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449220418 338603655 /nfs/dbraw/zinc/60/36/55/338603655.db2.gz QCKMJTSSTLRQLD-UHFFFAOYSA-N 1 0 308.425 4.410 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000449224105 338604010 /nfs/dbraw/zinc/60/40/10/338604010.db2.gz ZSXIRLAVYWMDDH-RDJZCZTQSA-N 1 0 300.450 4.151 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000449252333 338607028 /nfs/dbraw/zinc/60/70/28/338607028.db2.gz QICNCDXELQWZAA-HQVVEAJESA-N 1 0 302.393 4.101 20 30 DIEDRO COc1cc(F)cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000449338719 338614785 /nfs/dbraw/zinc/61/47/85/338614785.db2.gz HNFDGFKYAXBMCA-IBGZPJMESA-N 1 0 312.388 4.359 20 30 DIEDRO CC[C@H](C)[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)OC ZINC000449403655 338621349 /nfs/dbraw/zinc/62/13/49/338621349.db2.gz QRECAXNQQNSPAH-VHBXLISGSA-N 1 0 314.473 4.041 20 30 DIEDRO CC[C@H](C)[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)OC ZINC000449403654 338621350 /nfs/dbraw/zinc/62/13/50/338621350.db2.gz QRECAXNQQNSPAH-OXHPOLQJSA-N 1 0 314.473 4.041 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449430437 338623579 /nfs/dbraw/zinc/62/35/79/338623579.db2.gz ZTIGWBJXOPINAS-CRAIPNDOSA-N 1 0 309.409 4.253 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445333 338624653 /nfs/dbraw/zinc/62/46/53/338624653.db2.gz HZAQRKVHFQQKLI-WMZOPIPTSA-N 1 0 322.456 4.168 20 30 DIEDRO CC1(C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H]1OCc1ccccc1 ZINC000449447202 338624822 /nfs/dbraw/zinc/62/48/22/338624822.db2.gz WVRMWHJVHKTILT-GDAAHCPNSA-N 1 0 312.457 4.042 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccco2)cc1 ZINC000449780379 338652450 /nfs/dbraw/zinc/65/24/50/338652450.db2.gz VDGFFROYHUJJNP-GMBSWORKSA-N 1 0 310.397 4.050 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000162759324 338659927 /nfs/dbraw/zinc/65/99/27/338659927.db2.gz VDBUMTSMZLCDLX-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO CC(C)Oc1ccc2[nH+]ccc(N3CCC(C)(C#N)CC3)c2c1 ZINC000450436489 338684087 /nfs/dbraw/zinc/68/40/87/338684087.db2.gz RGGGVPZNXSOSRZ-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450721618 338701167 /nfs/dbraw/zinc/70/11/67/338701167.db2.gz XOVRPZLTFGGJTH-FOIQADDNSA-N 1 0 308.425 4.037 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000451677885 338741821 /nfs/dbraw/zinc/74/18/21/338741821.db2.gz DAYHZGDQLCNXNP-WQVCFCJDSA-N 1 0 313.363 4.176 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1cccc(C#N)c1 ZINC000451867948 338746697 /nfs/dbraw/zinc/74/66/97/338746697.db2.gz LHUKEVVQHYFXTK-KXBFYZLASA-N 1 0 305.425 4.180 20 30 DIEDRO N#CCCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000453189193 338804972 /nfs/dbraw/zinc/80/49/72/338804972.db2.gz CKPQCGDFFYCBGS-OAHLLOKOSA-N 1 0 307.235 4.110 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000453208888 338808049 /nfs/dbraw/zinc/80/80/49/338808049.db2.gz HTGFTEWQIJHKPJ-HNNXBMFYSA-N 1 0 307.397 4.218 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(C#N)cc1 ZINC000453223770 338810211 /nfs/dbraw/zinc/81/02/11/338810211.db2.gz SQPYZRWWKHIPKN-SJLPKXTDSA-N 1 0 308.450 4.488 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000453331591 338826128 /nfs/dbraw/zinc/82/61/28/338826128.db2.gz BVZUERBECFDXPA-XHSDSOJGSA-N 1 0 311.372 4.062 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2sccc21 ZINC000453367585 338832640 /nfs/dbraw/zinc/83/26/40/338832640.db2.gz DIMTWTYECZUZPV-BZNIZROVSA-N 1 0 300.402 4.487 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000453418220 338840798 /nfs/dbraw/zinc/84/07/98/338840798.db2.gz KRNMIMQFRPLEOU-UHFFFAOYSA-N 1 0 318.411 4.416 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000471594392 339023732 /nfs/dbraw/zinc/02/37/32/339023732.db2.gz CUCFAWLAAPKOCZ-AWEZNQCLSA-N 1 0 308.853 4.311 20 30 DIEDRO C=C(C)[C@H](NCc1cnc(C2CC2)nc1)c1ccc(F)c(F)c1 ZINC000459531877 339034331 /nfs/dbraw/zinc/03/43/31/339034331.db2.gz MYGJCSOXGMIYIG-KRWDZBQOSA-N 1 0 315.367 4.039 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459575897 339037022 /nfs/dbraw/zinc/03/70/22/339037022.db2.gz LBPMQZSASFLKQH-UHFFFAOYSA-N 1 0 310.445 4.116 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000459728959 339044640 /nfs/dbraw/zinc/04/46/40/339044640.db2.gz JQSYYNGDJDCNLX-UHFFFAOYSA-N 1 0 319.861 4.493 20 30 DIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459737806 339045439 /nfs/dbraw/zinc/04/54/39/339045439.db2.gz WWVSRCICXLMHBY-HNNXBMFYSA-N 1 0 315.461 4.057 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000467415762 339050607 /nfs/dbraw/zinc/05/06/07/339050607.db2.gz COICRVCIRDMRCG-WMLDXEAASA-N 1 0 322.880 4.021 20 30 DIEDRO CC#CCC[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000462332308 339076079 /nfs/dbraw/zinc/07/60/79/339076079.db2.gz GBSGDTYHBPCDOQ-KRWDZBQOSA-N 1 0 309.457 4.210 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)Oc2cccc(C)c2)cc1 ZINC000462739365 339086160 /nfs/dbraw/zinc/08/61/60/339086160.db2.gz OIOWDBGNSFVTFD-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCCC3)cc1 ZINC000462756147 339087173 /nfs/dbraw/zinc/08/71/73/339087173.db2.gz MCIBPELLIQENDW-RTBURBONSA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000462759877 339087322 /nfs/dbraw/zinc/08/73/22/339087322.db2.gz ZASMUDJSFFMVJK-CQSZACIVSA-N 1 0 317.379 4.423 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C2CC2)cc1 ZINC000463076931 339104698 /nfs/dbraw/zinc/10/46/98/339104698.db2.gz IFOAMJXGZLSJGH-FPOVZHCZSA-N 1 0 302.421 4.326 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCOC1 ZINC000463225890 339110520 /nfs/dbraw/zinc/11/05/20/339110520.db2.gz ROVSSNVXJLJVPX-FQEVSTJZSA-N 1 0 320.436 4.225 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463237255 339111036 /nfs/dbraw/zinc/11/10/36/339111036.db2.gz USSQMPDKTMGPMP-HLNWXESRSA-N 1 0 312.457 4.357 20 30 DIEDRO CC[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)Oc1ccccc1Cl ZINC000463243711 339111580 /nfs/dbraw/zinc/11/15/80/339111580.db2.gz QEVCIDGNLMRZFP-RBSFLKMASA-N 1 0 306.837 4.169 20 30 DIEDRO C=CC[C@H](CC)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000463252933 339112281 /nfs/dbraw/zinc/11/22/81/339112281.db2.gz YSITWUVLKMNLMI-KRWDZBQOSA-N 1 0 306.881 4.249 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000463295301 339113745 /nfs/dbraw/zinc/11/37/45/339113745.db2.gz ZODHUJHRKVNQOH-UYAOXDASSA-N 1 0 320.436 4.438 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463443092 339118064 /nfs/dbraw/zinc/11/80/64/339118064.db2.gz WMDRFPXUWCPVPP-FQEVSTJZSA-N 1 0 301.474 4.050 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000463572989 339121781 /nfs/dbraw/zinc/12/17/81/339121781.db2.gz XMVPVXUYYURLBA-KXBFYZLASA-N 1 0 320.436 4.338 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1Cl ZINC000463708874 339124299 /nfs/dbraw/zinc/12/42/99/339124299.db2.gz JMSSVYUVGHWFOM-JTQLQIEISA-N 1 0 307.743 4.335 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1ccc(C#N)cc1OC ZINC000464585883 339146356 /nfs/dbraw/zinc/14/63/56/339146356.db2.gz HGXXMCFQBVWQDI-UHFFFAOYSA-N 1 0 314.454 4.083 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1ccc(C#N)cc1F ZINC000464589321 339146471 /nfs/dbraw/zinc/14/64/71/339146471.db2.gz UZAHFHRMQPUNEF-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000464855865 339158246 /nfs/dbraw/zinc/15/82/46/339158246.db2.gz HWIVBGSJVGHEQU-QAPCUYQASA-N 1 0 310.397 4.003 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000466389315 339202002 /nfs/dbraw/zinc/20/20/02/339202002.db2.gz PZGSHOBRGQKNJQ-GFCCVEGCSA-N 1 0 311.351 4.036 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000466397897 339202417 /nfs/dbraw/zinc/20/24/17/339202417.db2.gz GLMBNUOKLVRQCZ-OAHLLOKOSA-N 1 0 322.246 4.169 20 30 DIEDRO N#CCSCCC[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000466719959 339214216 /nfs/dbraw/zinc/21/42/16/339214216.db2.gz SZKROMLAFOIFLW-UHFFFAOYSA-N 1 0 320.477 4.260 20 30 DIEDRO CC[N@H+](CCCSCC#N)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000466734063 339214881 /nfs/dbraw/zinc/21/48/81/339214881.db2.gz BKSGDQRXHVWVEH-GOSISDBHSA-N 1 0 322.493 4.362 20 30 DIEDRO C=CC1CC[NH+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000466743900 339215504 /nfs/dbraw/zinc/21/55/04/339215504.db2.gz QRBJOXYEVGOJGO-LBPRGKRZSA-N 1 0 317.820 4.349 20 30 DIEDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000467130818 339226879 /nfs/dbraw/zinc/22/68/79/339226879.db2.gz IRZXUYFIXFVMCJ-HXUWFJFHSA-N 1 0 320.436 4.226 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000467191912 339227808 /nfs/dbraw/zinc/22/78/08/339227808.db2.gz RMZIJBZTJIMRMS-HOCLYGCPSA-N 1 0 316.420 4.230 20 30 DIEDRO C=CCC[N@@H+](C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000467288875 339229963 /nfs/dbraw/zinc/22/99/63/339229963.db2.gz LAHHTMCXDZGFLT-SFHVURJKSA-N 1 0 319.408 4.334 20 30 DIEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000467301863 339230441 /nfs/dbraw/zinc/23/04/41/339230441.db2.gz BSHLLMDUJJYLBF-MRXNPFEDSA-N 1 0 324.424 4.314 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000467382379 339235701 /nfs/dbraw/zinc/23/57/01/339235701.db2.gz AJWOGRZDWZPPDY-UHFFFAOYSA-N 1 0 320.177 4.058 20 30 DIEDRO COc1cccc2cc([C@H](C)[NH2+]CCc3cccc(C#N)c3)oc21 ZINC000467430068 339238014 /nfs/dbraw/zinc/23/80/14/339238014.db2.gz OTKHYXFKQUDHOB-AWEZNQCLSA-N 1 0 320.392 4.206 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000467435485 339238473 /nfs/dbraw/zinc/23/84/73/339238473.db2.gz YLNXBICZWVHXBP-MRXNPFEDSA-N 1 0 308.425 4.240 20 30 DIEDRO CC1(C)[C@H]([NH2+]CCc2cccc(C#N)c2)C[C@@H]1c1ccccc1 ZINC000467443053 339238832 /nfs/dbraw/zinc/23/88/32/339238832.db2.gz AVVLIDCFKSVZEY-WOJBJXKFSA-N 1 0 304.437 4.273 20 30 DIEDRO CCC[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000467447839 339239113 /nfs/dbraw/zinc/23/91/13/339239113.db2.gz JEYGKEIALBICIN-LJQANCHMSA-N 1 0 323.396 4.140 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000467456081 339239696 /nfs/dbraw/zinc/23/96/96/339239696.db2.gz TVVQQOYZWPKQDL-SFTDATJTSA-N 1 0 304.437 4.201 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000467456080 339239786 /nfs/dbraw/zinc/23/97/86/339239786.db2.gz TVVQQOYZWPKQDL-RTWAWAEBSA-N 1 0 304.437 4.201 20 30 DIEDRO C=CCC(CC=C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000467840724 339247466 /nfs/dbraw/zinc/24/74/66/339247466.db2.gz WLLHYDILWLTIRU-MRXNPFEDSA-N 1 0 314.473 4.000 20 30 DIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)cc1 ZINC000468267146 339258224 /nfs/dbraw/zinc/25/82/24/339258224.db2.gz YGUIIESPXGNTPJ-FQEVSTJZSA-N 1 0 324.399 4.433 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)s1 ZINC000468282633 339258913 /nfs/dbraw/zinc/25/89/13/339258913.db2.gz UIFNHCOPDQEKDY-INIZCTEOSA-N 1 0 300.402 4.404 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2ccc(CC#N)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000468476965 339263776 /nfs/dbraw/zinc/26/37/76/339263776.db2.gz YTYORSIFGMCFGQ-DYESRHJHSA-N 1 0 319.452 4.075 20 30 DIEDRO C[C@H](CC#N)[N@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000469059655 339278853 /nfs/dbraw/zinc/27/88/53/339278853.db2.gz SQEPOBYEXMJQJO-MASHWEEQSA-N 1 0 307.235 4.086 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccccc1F ZINC000469136467 339281191 /nfs/dbraw/zinc/28/11/91/339281191.db2.gz UNFMWYAKZFEPBX-AZUAARDMSA-N 1 0 308.400 4.140 20 30 DIEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000470169058 339312534 /nfs/dbraw/zinc/31/25/34/339312534.db2.gz BCFFXGLDLUWYEM-XNTDXEJSSA-N 1 0 321.380 4.002 20 30 DIEDRO C=CCOCCC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000470720936 339326082 /nfs/dbraw/zinc/32/60/82/339326082.db2.gz APFTVRODKZEJOC-MRXNPFEDSA-N 1 0 324.262 4.179 20 30 DIEDRO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470761463 339327154 /nfs/dbraw/zinc/32/71/54/339327154.db2.gz JNOIDBDOUGFUKX-FQEVSTJZSA-N 1 0 324.468 4.005 20 30 DIEDRO CC[C@H](c1ccccc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000471146158 339338559 /nfs/dbraw/zinc/33/85/59/339338559.db2.gz WEZAHJMHIDXABU-RTWAWAEBSA-N 1 0 319.452 4.020 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000471606812 339349287 /nfs/dbraw/zinc/34/92/87/339349287.db2.gz PYWPPOLXXRHKGI-MRXNPFEDSA-N 1 0 313.445 4.006 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000471611525 339349479 /nfs/dbraw/zinc/34/94/79/339349479.db2.gz KPCPRTZPPJKHKV-CYBMUJFWSA-N 1 0 324.852 4.012 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000472137996 339364021 /nfs/dbraw/zinc/36/40/21/339364021.db2.gz ICJXLVFQCBAMPR-CHWSQXEVSA-N 1 0 323.421 4.338 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000472137898 339364112 /nfs/dbraw/zinc/36/41/12/339364112.db2.gz GSKYFIOFSQVBJD-RBUKOAKNSA-N 1 0 306.409 4.047 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000472143013 339364229 /nfs/dbraw/zinc/36/42/29/339364229.db2.gz WAXUSWNZZNUSMA-HKUYNNGSSA-N 1 0 306.409 4.047 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC000475204275 339441551 /nfs/dbraw/zinc/44/15/51/339441551.db2.gz OOLPDIWASQOKGX-UHFFFAOYSA-N 1 0 320.436 4.341 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000475568850 339455730 /nfs/dbraw/zinc/45/57/30/339455730.db2.gz BPJJXEQUNGFCCJ-ZFWWWQNUSA-N 1 0 300.402 4.185 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000479423420 339534400 /nfs/dbraw/zinc/53/44/00/339534400.db2.gz PJKFYQCIHCAXRR-WBAXXEDZSA-N 1 0 309.400 4.375 20 30 DIEDRO N#Cc1ccc(C(F)(F)F)c(NC2CC([NH+]3CCCCC3)C2)c1 ZINC000480848654 339588775 /nfs/dbraw/zinc/58/87/75/339588775.db2.gz DKYUPWJDZLNXLY-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)C(C)(C)C ZINC000481215719 339598621 /nfs/dbraw/zinc/59/86/21/339598621.db2.gz ZJBXSTLSLQSXIA-CQSZACIVSA-N 1 0 309.251 4.235 20 30 DIEDRO C=CC1CC[NH+](Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000481988444 339618612 /nfs/dbraw/zinc/61/86/12/339618612.db2.gz FZIUZSUPYOMIDY-UHFFFAOYSA-N 1 0 308.425 4.155 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000482643989 339638773 /nfs/dbraw/zinc/63/87/73/339638773.db2.gz CCFKNIAGWQKJDQ-FQEVSTJZSA-N 1 0 318.480 4.023 20 30 DIEDRO Cc1ccccc1[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000483390890 339663734 /nfs/dbraw/zinc/66/37/34/339663734.db2.gz HCSVRJWKVMUCKN-KRWDZBQOSA-N 1 0 320.436 4.471 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000485722551 339711253 /nfs/dbraw/zinc/71/12/53/339711253.db2.gz CYCFINQWWIRICV-HNNXBMFYSA-N 1 0 322.305 4.133 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000486798554 339734851 /nfs/dbraw/zinc/73/48/51/339734851.db2.gz OBZNQFWAIXIHJF-UHFFFAOYSA-N 1 0 308.400 4.406 20 30 DIEDRO CCCCOC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487434748 339753962 /nfs/dbraw/zinc/75/39/62/339753962.db2.gz VHMCIRAXPWSQOH-UHFFFAOYSA-N 1 0 314.473 4.269 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)ccc1C#N ZINC000488067144 339769698 /nfs/dbraw/zinc/76/96/98/339769698.db2.gz PORWUUWFQHGJIY-ZDUSSCGKSA-N 1 0 307.422 4.327 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1OC ZINC000488105574 339770452 /nfs/dbraw/zinc/77/04/52/339770452.db2.gz CZOIZJCNCUDZMF-HNNXBMFYSA-N 1 0 324.424 4.043 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000488136379 339771446 /nfs/dbraw/zinc/77/14/46/339771446.db2.gz GQRJYGSECHCUGT-PBHICJAKSA-N 1 0 316.445 4.193 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2OC(F)F)ccc1C#N ZINC000488158376 339772094 /nfs/dbraw/zinc/77/20/94/339772094.db2.gz FOPFYPDXHHERDB-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1cc(F)ccc1F ZINC000488165306 339772247 /nfs/dbraw/zinc/77/22/47/339772247.db2.gz SDFJYVFPOQAFOH-GOSISDBHSA-N 1 0 300.352 4.386 20 30 DIEDRO CC(C)C1CC([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000488425495 339781372 /nfs/dbraw/zinc/78/13/72/339781372.db2.gz BIUIFJWKLZKYHQ-UHFFFAOYSA-N 1 0 312.457 4.272 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1F ZINC000493543911 339927982 /nfs/dbraw/zinc/92/79/82/339927982.db2.gz KOVUUDWMJBHEOD-XLIONFOSSA-N 1 0 308.400 4.198 20 30 DIEDRO CC(C)C[C@H](CNc1ncccc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000495318713 339980722 /nfs/dbraw/zinc/98/07/22/339980722.db2.gz DIXSXCZLBURHAB-VQIMIIECSA-N 1 0 322.456 4.131 20 30 DIEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499553742 340039282 /nfs/dbraw/zinc/03/92/82/340039282.db2.gz RLFJXXHPMWXDJL-GOSISDBHSA-N 1 0 306.494 4.378 20 30 DIEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499553743 340039298 /nfs/dbraw/zinc/03/92/98/340039298.db2.gz RLFJXXHPMWXDJL-SFHVURJKSA-N 1 0 306.494 4.378 20 30 DIEDRO N#CC1(CCC[NH2+]C2(c3ccccc3)CCCC2)CCOCC1 ZINC000499608573 340040992 /nfs/dbraw/zinc/04/09/92/340040992.db2.gz VHGPJCVLTWFYCW-UHFFFAOYSA-N 1 0 312.457 4.146 20 30 DIEDRO C[C@@H]([C@H](C)[NH2+]CCCC1(C#N)CCOCC1)C1CCCCC1 ZINC000499628798 340041644 /nfs/dbraw/zinc/04/16/44/340041644.db2.gz WYJRAGQQELJNPI-IRXDYDNUSA-N 1 0 306.494 4.281 20 30 DIEDRO COc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000499949015 340047503 /nfs/dbraw/zinc/04/75/03/340047503.db2.gz WFIWKLRRJLMMBR-UHFFFAOYSA-N 1 0 320.436 4.189 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000499987895 340048251 /nfs/dbraw/zinc/04/82/51/340048251.db2.gz OEHXFNOEMPSKLX-UHFFFAOYSA-N 1 0 322.427 4.362 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCC[C@H]2C)cc(OC)c1O ZINC000500143556 340051217 /nfs/dbraw/zinc/05/12/17/340051217.db2.gz HXVOIOWKTKEIJW-RHSMWYFYSA-N 1 0 303.446 4.045 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCCC[C@@H]2CC)cc(OC)c1O ZINC000500266841 340054294 /nfs/dbraw/zinc/05/42/94/340054294.db2.gz RAXCGONXFZCXJQ-RDJZCZTQSA-N 1 0 303.446 4.188 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC000500896431 340069473 /nfs/dbraw/zinc/06/94/73/340069473.db2.gz MSCIMMKDTJXGMV-UHFFFAOYSA-N 1 0 316.807 4.418 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000501266708 340077581 /nfs/dbraw/zinc/07/75/81/340077581.db2.gz NXRRDWAUMIKENM-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccccc1SC ZINC000501503101 340082334 /nfs/dbraw/zinc/08/23/34/340082334.db2.gz KHNOVUAANBLLDO-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO C[N@H+](CCOc1cccc(C#N)c1)Cc1csc2ccccc12 ZINC000502003032 340092548 /nfs/dbraw/zinc/09/25/48/340092548.db2.gz RELCOMQNFILNBX-UHFFFAOYSA-N 1 0 322.433 4.284 20 30 DIEDRO C=CCCc1ccccc1NC1CCN(c2ccccn2)CC1 ZINC000502327302 340099908 /nfs/dbraw/zinc/09/99/08/340099908.db2.gz RCUXVJUQVWMKOQ-UHFFFAOYSA-N 1 0 307.441 4.281 20 30 DIEDRO CC[C@@H]1C[C@]1([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(C)c1 ZINC000502560614 340107886 /nfs/dbraw/zinc/10/78/86/340107886.db2.gz RTEGAWNIGVIUKX-WIYYLYMNSA-N 1 0 320.436 4.290 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000502574390 340108064 /nfs/dbraw/zinc/10/80/64/340108064.db2.gz IUQNAIMDZOPHJI-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO CC[C@@H]1C[C@]1([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(C)c1 ZINC000502598029 340108848 /nfs/dbraw/zinc/10/88/48/340108848.db2.gz YNHCEICDNINAEV-YLJYHZDGSA-N 1 0 308.400 4.421 20 30 DIEDRO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCCC(C)(C)C#N)C2)c1 ZINC000502920020 340116755 /nfs/dbraw/zinc/11/67/55/340116755.db2.gz QROHNAYBGMMFLH-SFHVURJKSA-N 1 0 306.400 4.335 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000503572439 340131063 /nfs/dbraw/zinc/13/10/63/340131063.db2.gz GBNQPAFIAFLKTJ-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503884386 340135649 /nfs/dbraw/zinc/13/56/49/340135649.db2.gz ICSLTMPQZSMNTM-BRWVUGGUSA-N 1 0 320.383 4.076 20 30 DIEDRO N#CCCC[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000505474336 340169243 /nfs/dbraw/zinc/16/92/43/340169243.db2.gz OHEHGLXEFGEMTR-UHFFFAOYSA-N 1 0 307.235 4.112 20 30 DIEDRO COc1ccc2cc(C[N@H+](C)Cc3ccc(C#N)s3)ccc2c1 ZINC000506022458 340183556 /nfs/dbraw/zinc/18/35/56/340183556.db2.gz UGEVRYZBOOCNEC-UHFFFAOYSA-N 1 0 322.433 4.414 20 30 DIEDRO C=CCN(Cc1ccc(Cl)s1)Cc1cnn2ccccc12 ZINC000506087510 340185108 /nfs/dbraw/zinc/18/51/08/340185108.db2.gz XWJWWNKPNGGUEC-UHFFFAOYSA-N 1 0 317.845 4.237 20 30 DIEDRO Cc1ccc(OCCC[N@@H+](C)Cc2cccc(C#N)c2)cc1C ZINC000506123107 340186248 /nfs/dbraw/zinc/18/62/48/340186248.db2.gz QLDPVQRJMCYKDP-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000506192967 340188191 /nfs/dbraw/zinc/18/81/91/340188191.db2.gz NAACBOJKTIICPG-CYBMUJFWSA-N 1 0 324.815 4.052 20 30 DIEDRO CN(Cc1ccc(C#N)cc1F)Cc1ccccc1C(F)(F)F ZINC000506341076 340192768 /nfs/dbraw/zinc/19/27/68/340192768.db2.gz OGWGNPGIVPZQBH-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000506457705 340194938 /nfs/dbraw/zinc/19/49/38/340194938.db2.gz XPSCAYLBBDSECB-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000506625274 340197948 /nfs/dbraw/zinc/19/79/48/340197948.db2.gz SAGYXKFRQRDARN-SFHVURJKSA-N 1 0 315.363 4.307 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC(C)(C)CCC#N ZINC000507146076 340209376 /nfs/dbraw/zinc/20/93/76/340209376.db2.gz VNBANKINVNJLJK-GOSISDBHSA-N 1 0 300.446 4.334 20 30 DIEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000507141418 340209468 /nfs/dbraw/zinc/20/94/68/340209468.db2.gz GCLCZHYUNDTFFO-SFHVURJKSA-N 1 0 300.446 4.380 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507180980 340211623 /nfs/dbraw/zinc/21/16/23/340211623.db2.gz MPIBWNBRFAFZNN-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000507184663 340211755 /nfs/dbraw/zinc/21/17/55/340211755.db2.gz WMJWUUJGIVSBGU-QGZVFWFLSA-N 1 0 315.420 4.109 20 30 DIEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000507188576 340211858 /nfs/dbraw/zinc/21/18/58/340211858.db2.gz QITNXGYPGLXVCS-LJQANCHMSA-N 1 0 322.456 4.084 20 30 DIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000507201704 340212939 /nfs/dbraw/zinc/21/29/39/340212939.db2.gz HGZCYKGYXBYMSM-LLVKDONJSA-N 1 0 308.303 4.363 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCCOC1 ZINC000507495356 340222798 /nfs/dbraw/zinc/22/27/98/340222798.db2.gz LUZYVQPNMTUYMJ-JXFKEZNVSA-N 1 0 320.436 4.130 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1F ZINC000507738390 340230063 /nfs/dbraw/zinc/23/00/63/340230063.db2.gz HYJZQXOMJWJYFQ-UHFFFAOYSA-N 1 0 321.399 4.227 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000507820807 340233236 /nfs/dbraw/zinc/23/32/36/340233236.db2.gz IXWZYBGYRULURG-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO C=CCOc1ccc(C[N@H+]([C@@H](C)C2CC2)C2CC2)cc1OC ZINC000508021944 340237524 /nfs/dbraw/zinc/23/75/24/340237524.db2.gz QEOHHNLJQOYIPX-AWEZNQCLSA-N 1 0 301.430 4.023 20 30 DIEDRO N#CCC[N@H+](CC(c1ccccc1)c1ccccc1)CC1CC1 ZINC000508221080 340241006 /nfs/dbraw/zinc/24/10/06/340241006.db2.gz IHSSAEIEQXMFNE-UHFFFAOYSA-N 1 0 304.437 4.444 20 30 DIEDRO CCCC[N@H+](Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000508566897 340246689 /nfs/dbraw/zinc/24/66/89/340246689.db2.gz GKMNPBFVFFAHNT-UHFFFAOYSA-N 1 0 310.445 4.141 20 30 DIEDRO C[NH+](C)[C@H](CNc1cccc(F)c1C#N)c1ccccc1Cl ZINC000302599009 340277130 /nfs/dbraw/zinc/27/71/30/340277130.db2.gz KHQXCHZPGRGYEC-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(OCCC(C)C)CC2)c1 ZINC000510486447 340300806 /nfs/dbraw/zinc/30/08/06/340300806.db2.gz ZQHQDHMQGRFKNC-UHFFFAOYSA-N 1 0 317.473 4.279 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2ncccc2c1 ZINC000510642166 340304700 /nfs/dbraw/zinc/30/47/00/340304700.db2.gz ZPMBQMPHPNLRBY-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510654118 340305092 /nfs/dbraw/zinc/30/50/92/340305092.db2.gz VWYUPPWYZCRILG-CQSZACIVSA-N 1 0 315.379 4.209 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2[nH]ccc21 ZINC000510662022 340305708 /nfs/dbraw/zinc/30/57/08/340305708.db2.gz CAIRVXCBZCHIEW-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000510717322 340307832 /nfs/dbraw/zinc/30/78/32/340307832.db2.gz QXXKGLYBXABXER-NTFDOXNWSA-N 1 0 324.468 4.417 20 30 DIEDRO N#CC1(F)CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000510886490 340313838 /nfs/dbraw/zinc/31/38/38/340313838.db2.gz GDNNOCHIXXOKND-UHFFFAOYSA-N 1 0 300.402 4.243 20 30 DIEDRO N#CC1(F)CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC000510886689 340313870 /nfs/dbraw/zinc/31/38/70/340313870.db2.gz HSWWKZSAJBGBBJ-UHFFFAOYSA-N 1 0 300.402 4.243 20 30 DIEDRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1(CC#N)CC1 ZINC000510993340 340317457 /nfs/dbraw/zinc/31/74/57/340317457.db2.gz OEVGELPSCLYJJD-ZDUSSCGKSA-N 1 0 310.363 4.310 20 30 DIEDRO CSc1ccccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000511150221 340322636 /nfs/dbraw/zinc/32/26/36/340322636.db2.gz MIDFPELJWCLPHE-UHFFFAOYSA-N 1 0 308.450 4.445 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(F)cc1 ZINC000512200487 340352090 /nfs/dbraw/zinc/35/20/90/340352090.db2.gz FUYAVKVPJFKXOP-AWEZNQCLSA-N 1 0 303.377 4.050 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000512551567 340366547 /nfs/dbraw/zinc/36/65/47/340366547.db2.gz FGPFPNYNAYRBCM-ICSRJNTNSA-N 1 0 322.452 4.462 20 30 DIEDRO CCO[C@@H](CC[NH2+][C@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000512611803 340368935 /nfs/dbraw/zinc/36/89/35/340368935.db2.gz MNRDWWPPRMROSO-KUHUBIRLSA-N 1 0 318.436 4.333 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(C#N)cc1F ZINC000512620264 340369380 /nfs/dbraw/zinc/36/93/80/340369380.db2.gz PQDZZGICHZCWAR-AWEZNQCLSA-N 1 0 319.383 4.139 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512627012 340369797 /nfs/dbraw/zinc/36/97/97/340369797.db2.gz ZAVYVPVIYNNHCN-ZDUSSCGKSA-N 1 0 314.379 4.465 20 30 DIEDRO CC(C)c1nc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2F)cs1 ZINC000512637360 340370363 /nfs/dbraw/zinc/37/03/63/340370363.db2.gz VBQQAYRNICTEDW-LBPRGKRZSA-N 1 0 317.433 4.171 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000512646666 340370715 /nfs/dbraw/zinc/37/07/15/340370715.db2.gz CCGANDMGKBYSTI-GZRFBZBPSA-N 1 0 324.399 4.126 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000512646954 340370756 /nfs/dbraw/zinc/37/07/56/340370756.db2.gz FQCWNEKQIIOFAC-MWBIGIAMSA-N 1 0 324.399 4.301 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000512646952 340370822 /nfs/dbraw/zinc/37/08/22/340370822.db2.gz FQCWNEKQIIOFAC-JWHHTLNTSA-N 1 0 324.399 4.301 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000512649530 340370864 /nfs/dbraw/zinc/37/08/64/340370864.db2.gz SMBDMHDFIVVSNL-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc(C#N)cc1F ZINC000512649556 340370920 /nfs/dbraw/zinc/37/09/20/340370920.db2.gz SNJLSTXPCBQMLU-CQSZACIVSA-N 1 0 312.388 4.206 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1F ZINC000512650134 340370922 /nfs/dbraw/zinc/37/09/22/340370922.db2.gz XKKANJRZNBVKNW-GOEBONIOSA-N 1 0 316.420 4.230 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512655782 340371368 /nfs/dbraw/zinc/37/13/68/340371368.db2.gz WLXBGEZSMDNEFF-OAUYIBNBSA-N 1 0 306.450 4.412 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(C#N)cc1F ZINC000512659458 340371579 /nfs/dbraw/zinc/37/15/79/340371579.db2.gz HBUHKNUWJSWQPS-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)o1 ZINC000512661181 340371746 /nfs/dbraw/zinc/37/17/46/340371746.db2.gz QHEBCRXMOHQURP-GXTWGEPZSA-N 1 0 300.377 4.271 20 30 DIEDRO Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512671580 340372292 /nfs/dbraw/zinc/37/22/92/340372292.db2.gz FYRSWLXKGMKFQT-ZDUSSCGKSA-N 1 0 300.352 4.038 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000512841623 340380264 /nfs/dbraw/zinc/38/02/64/340380264.db2.gz SAXRRMMEXHIAAC-UHFFFAOYSA-N 1 0 308.400 4.299 20 30 DIEDRO Fc1cc(C[NH2+]CC2(C(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC000512869899 340381663 /nfs/dbraw/zinc/38/16/63/340381663.db2.gz ZGAWTEGWBKDIFQ-UHFFFAOYSA-N 1 0 315.232 4.277 20 30 DIEDRO CC(C)([NH2+]CCCSCC#N)c1ccc(Cl)c(Cl)c1 ZINC000174133745 340382642 /nfs/dbraw/zinc/38/26/42/340382642.db2.gz KCEFDRVOPYRISX-UHFFFAOYSA-N 1 0 317.285 4.465 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(CSC)cc2)cc1 ZINC000512973125 340386491 /nfs/dbraw/zinc/38/64/91/340386491.db2.gz ZBNXSEBPKHDNED-UHFFFAOYSA-N 1 0 313.466 4.404 20 30 DIEDRO CC(C)[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000513007192 340388084 /nfs/dbraw/zinc/38/80/84/340388084.db2.gz KUTPEIFOPVCKHV-SFHVURJKSA-N 1 0 315.848 4.080 20 30 DIEDRO CC(C)[C@H](C[NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000513018429 340388835 /nfs/dbraw/zinc/38/88/35/340388835.db2.gz YOYYSHJKRIAADU-KRWDZBQOSA-N 1 0 302.805 4.334 20 30 DIEDRO C[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000513071487 340392039 /nfs/dbraw/zinc/39/20/39/340392039.db2.gz YBPYZEBFRUYKSB-MGPUTAFESA-N 1 0 306.409 4.025 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c1 ZINC000513088565 340392888 /nfs/dbraw/zinc/39/28/88/340392888.db2.gz IHXNEYSQLDGQTE-UHFFFAOYSA-N 1 0 306.409 4.331 20 30 DIEDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000513101875 340393311 /nfs/dbraw/zinc/39/33/11/340393311.db2.gz UZWIBUWYZWLSJB-FOIQADDNSA-N 1 0 306.409 4.025 20 30 DIEDRO CC[N@H+](CCCC(C)(C)C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000174855028 340397666 /nfs/dbraw/zinc/39/76/66/340397666.db2.gz NYSFWDDXYHIOOI-MRXNPFEDSA-N 1 0 302.462 4.278 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000174867218 340397930 /nfs/dbraw/zinc/39/79/30/340397930.db2.gz LTFIYKNACAVSNW-UHFFFAOYSA-N 1 0 316.289 4.133 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000178178313 340447545 /nfs/dbraw/zinc/44/75/45/340447545.db2.gz CKUBUGQOXKARRC-KBPBESRZSA-N 1 0 310.445 4.230 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000185811199 340505527 /nfs/dbraw/zinc/50/55/27/340505527.db2.gz DAHACJGFWPKJPO-CZUORRHYSA-N 1 0 322.374 4.409 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000185850009 340506015 /nfs/dbraw/zinc/50/60/15/340506015.db2.gz NUOYXNMSDVZXQV-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)C1(c2ccccc2)CCCC1 ZINC000185953129 340506968 /nfs/dbraw/zinc/50/69/68/340506968.db2.gz HXZIHRVWLKPBNG-MRXNPFEDSA-N 1 0 302.487 4.123 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC000223667032 340546969 /nfs/dbraw/zinc/54/69/69/340546969.db2.gz BQUBOGXBKBLSIL-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000192161858 340563613 /nfs/dbraw/zinc/56/36/13/340563613.db2.gz KTCOWPMOVTUUNX-SFHVURJKSA-N 1 0 318.342 4.462 20 30 DIEDRO CSCCCCCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000230405903 340619896 /nfs/dbraw/zinc/61/98/96/340619896.db2.gz UUKKSJPFEULFMQ-OAHLLOKOSA-N 1 0 306.475 4.163 20 30 DIEDRO Cc1cccc([C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C(C)C)c1 ZINC000529671094 340767500 /nfs/dbraw/zinc/76/75/00/340767500.db2.gz YYJXRNBASXOTMY-FQEVSTJZSA-N 1 0 318.424 4.001 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000538116070 340810118 /nfs/dbraw/zinc/81/01/18/340810118.db2.gz IAXOZZAUSCOXLL-MRXNPFEDSA-N 1 0 313.363 4.339 20 30 DIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(C#N)cc1 ZINC000538406751 340821677 /nfs/dbraw/zinc/82/16/77/340821677.db2.gz SRHLTVNUVPMQDW-ZDUSSCGKSA-N 1 0 312.363 4.219 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000538506707 340829329 /nfs/dbraw/zinc/82/93/29/340829329.db2.gz RNDFOBFUFIDPMB-YGGLWSGOSA-N 1 0 324.399 4.301 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000538508654 340829608 /nfs/dbraw/zinc/82/96/08/340829608.db2.gz WTZPOEAGANAMLN-AWEZNQCLSA-N 1 0 312.388 4.337 20 30 DIEDRO C=C(CC)C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000539116883 340873997 /nfs/dbraw/zinc/87/39/97/340873997.db2.gz CORZGBKDWYYMLK-UHFFFAOYSA-N 1 0 324.827 4.096 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Oc1ccccc1F ZINC000539495135 340887162 /nfs/dbraw/zinc/88/71/62/340887162.db2.gz FMCUWJNBXOKGFO-YOEHRIQHSA-N 1 0 312.388 4.206 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000539509562 340888631 /nfs/dbraw/zinc/88/86/31/340888631.db2.gz XBAUAFIPOOQYLU-UONOGXRCSA-N 1 0 304.434 4.049 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000539510574 340888792 /nfs/dbraw/zinc/88/87/92/340888792.db2.gz HYKHXMITTLKKLR-UHFFFAOYSA-N 1 0 308.853 4.419 20 30 DIEDRO C[C@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000539604604 340892139 /nfs/dbraw/zinc/89/21/39/340892139.db2.gz ZJQQUEXIHRWDRE-HNNXBMFYSA-N 1 0 321.399 4.393 20 30 DIEDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000539607593 340892377 /nfs/dbraw/zinc/89/23/77/340892377.db2.gz SMWBVKFFGSKIAZ-VBKZILBWSA-N 1 0 308.400 4.369 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000540152105 340917690 /nfs/dbraw/zinc/91/76/90/340917690.db2.gz WFYNATKMNRFUFY-DOMZBBRYSA-N 1 0 324.262 4.180 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCOc1ccccc1C#N ZINC000540324265 340927013 /nfs/dbraw/zinc/92/70/13/340927013.db2.gz JWNBGFFGDHJYQZ-INIZCTEOSA-N 1 0 324.424 4.075 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCOc2cccc(C#N)c2)c1 ZINC000540328692 340927256 /nfs/dbraw/zinc/92/72/56/340927256.db2.gz RAZNBQBNHKFZEG-INIZCTEOSA-N 1 0 324.424 4.075 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(N2CCCC2)c1 ZINC000540476368 340932811 /nfs/dbraw/zinc/93/28/11/340932811.db2.gz LZUFUSNCQJKVSB-HNNXBMFYSA-N 1 0 323.415 4.148 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000540494971 340933483 /nfs/dbraw/zinc/93/34/83/340933483.db2.gz DBBJVKDKESRHJR-LJQANCHMSA-N 1 0 302.462 4.059 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000540606804 340938357 /nfs/dbraw/zinc/93/83/57/340938357.db2.gz QATHAGZGORRMDH-KGLIPLIRSA-N 1 0 306.406 4.389 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000540608297 340938616 /nfs/dbraw/zinc/93/86/16/340938616.db2.gz RCSTWFMNRZUZLX-UONOGXRCSA-N 1 0 300.446 4.312 20 30 DIEDRO COc1ccc(CCC2CC[NH+](CCC(C)(C)C#N)CC2)cc1 ZINC000540687281 340941343 /nfs/dbraw/zinc/94/13/43/340941343.db2.gz LMQILQQXOBTIDU-UHFFFAOYSA-N 1 0 314.473 4.280 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)c1ccc(C#N)c(F)c1 ZINC000540705544 340942265 /nfs/dbraw/zinc/94/22/65/340942265.db2.gz MPJMQIGNOAXSOD-VXGBXAGGSA-N 1 0 318.342 4.430 20 30 DIEDRO N#CCCC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000541569715 340975155 /nfs/dbraw/zinc/97/51/55/340975155.db2.gz MAXRUISSCSNUQX-QGZVFWFLSA-N 1 0 302.780 4.462 20 30 DIEDRO CCCC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1CCC1 ZINC000541594344 340976654 /nfs/dbraw/zinc/97/66/54/340976654.db2.gz ARHZZNCXRNECIC-QGZVFWFLSA-N 1 0 324.428 4.057 20 30 DIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000541625778 340978237 /nfs/dbraw/zinc/97/82/37/340978237.db2.gz KSWXDQXIJXEFPS-CVEARBPZSA-N 1 0 322.518 4.238 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542184506 340998784 /nfs/dbraw/zinc/99/87/84/340998784.db2.gz BKCTWAVIQOJOKP-QRWLVFNGSA-N 1 0 306.409 4.055 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542277321 341003066 /nfs/dbraw/zinc/00/30/66/341003066.db2.gz NRBJOQOWXBREEJ-DNVCBOLYSA-N 1 0 308.400 4.270 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542277143 341003172 /nfs/dbraw/zinc/00/31/72/341003172.db2.gz KGFSXXYKAKXDHY-IBGZPJMESA-N 1 0 306.409 4.098 20 30 DIEDRO C[C@H](CCC(F)(F)F)[NH2+]CCSCc1ccccc1C#N ZINC000542465562 341008344 /nfs/dbraw/zinc/00/83/44/341008344.db2.gz PZPOKCXVMDUGFS-GFCCVEGCSA-N 1 0 316.392 4.112 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000130277210 341011989 /nfs/dbraw/zinc/01/19/89/341011989.db2.gz HDANUFHOYAGOLC-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000130393700 341020749 /nfs/dbraw/zinc/02/07/49/341020749.db2.gz BIQXGOJEDYOEJE-HXUWFJFHSA-N 1 0 316.408 4.007 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)c1 ZINC000130491398 341023071 /nfs/dbraw/zinc/02/30/71/341023071.db2.gz MWKDDVFLIHZROV-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO N#CCC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000542853521 341023534 /nfs/dbraw/zinc/02/35/34/341023534.db2.gz ILEBMJSCEDMYDY-UHFFFAOYSA-N 1 0 317.864 4.066 20 30 DIEDRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(CC#N)CC1 ZINC000542878329 341024758 /nfs/dbraw/zinc/02/47/58/341024758.db2.gz GKBBRJJYOZARAV-LBPRGKRZSA-N 1 0 307.235 4.136 20 30 DIEDRO N#CCC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000130566659 341028446 /nfs/dbraw/zinc/02/84/46/341028446.db2.gz XQLSMDXJZXLZGU-DBEXCURXSA-N 1 0 321.380 4.243 20 30 DIEDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033910 341028965 /nfs/dbraw/zinc/02/89/65/341028965.db2.gz RWVKBZGARFZCBS-QRWLVFNGSA-N 1 0 308.425 4.301 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1 ZINC000130588385 341029495 /nfs/dbraw/zinc/02/94/95/341029495.db2.gz IOWUYIIXUBQWTB-IBGZPJMESA-N 1 0 301.393 4.369 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000543104640 341032193 /nfs/dbraw/zinc/03/21/93/341032193.db2.gz VWPOTUPJILRELS-UHFFFAOYSA-N 1 0 318.892 4.216 20 30 DIEDRO CC[N@H+](Cc1ccc(CC#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000543139014 341033667 /nfs/dbraw/zinc/03/36/67/341033667.db2.gz JEHRTMYWDIMOKX-MRXNPFEDSA-N 1 0 308.425 4.344 20 30 DIEDRO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CCCC#N)cc1 ZINC000543428860 341044167 /nfs/dbraw/zinc/04/41/67/341044167.db2.gz HFKFCCBOJCLZPS-KRWDZBQOSA-N 1 0 300.446 4.246 20 30 DIEDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000543632797 341052297 /nfs/dbraw/zinc/05/22/97/341052297.db2.gz XSVTZPUKCJUUKM-HNNXBMFYSA-N 1 0 323.396 4.358 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCC(C)(C)C#N)[C@H]2C ZINC000543808934 341059969 /nfs/dbraw/zinc/05/99/69/341059969.db2.gz BGEBKNHFOBWLHL-CABCVRRESA-N 1 0 300.446 4.333 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(CCC(=O)N(CC)CC)CC1 ZINC000543872575 341062181 /nfs/dbraw/zinc/06/21/81/341062181.db2.gz CJHUWSQVAZAYER-QGZVFWFLSA-N 1 0 308.510 4.092 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000544141543 341071953 /nfs/dbraw/zinc/07/19/53/341071953.db2.gz BUYCGBUSKGTESS-IBGZPJMESA-N 1 0 308.450 4.043 20 30 DIEDRO C[C@@H](CCC(F)(F)F)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000544370362 341078684 /nfs/dbraw/zinc/07/86/84/341078684.db2.gz JJYMGHCFHMDIGZ-NSHDSACASA-N 1 0 323.280 4.378 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000544384107 341079520 /nfs/dbraw/zinc/07/95/20/341079520.db2.gz BGBGIQKYFKQVEY-QYWGDWMGSA-N 1 0 320.436 4.443 20 30 DIEDRO C=CCSCC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000544385926 341079639 /nfs/dbraw/zinc/07/96/39/341079639.db2.gz JQTSTNSSGLVIJT-SFHVURJKSA-N 1 0 316.445 4.127 20 30 DIEDRO C=CCCCc1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000545707842 341137279 /nfs/dbraw/zinc/13/72/79/341137279.db2.gz MVHVGEVGKCJBAZ-UHFFFAOYSA-N 1 0 311.429 4.231 20 30 DIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1)C(C)C ZINC000133058343 341153098 /nfs/dbraw/zinc/15/30/98/341153098.db2.gz WCMPVDZVIMXIPE-UHFFFAOYSA-N 1 0 321.424 4.041 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000564307070 341177946 /nfs/dbraw/zinc/17/79/46/341177946.db2.gz TUKUXGRHMPCEPH-NWDGAFQWSA-N 1 0 305.809 4.395 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000546685718 341178706 /nfs/dbraw/zinc/17/87/06/341178706.db2.gz OFLFQLGOPYMFCI-GOEBONIOSA-N 1 0 315.388 4.206 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000547280681 341203425 /nfs/dbraw/zinc/20/34/25/341203425.db2.gz LKHVIQVINJYVQY-CXAGYDPISA-N 1 0 303.837 4.107 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000076767096 341213765 /nfs/dbraw/zinc/21/37/65/341213765.db2.gz CWHKNHBCELZMCX-SCLBCKFNSA-N 1 0 314.816 4.077 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(F)c(F)c1 ZINC000547496916 341217911 /nfs/dbraw/zinc/21/79/11/341217911.db2.gz QJQDJTSHBALTFH-GOSISDBHSA-N 1 0 313.351 4.248 20 30 DIEDRO C=CCC[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000547869847 341238618 /nfs/dbraw/zinc/23/86/18/341238618.db2.gz MDZXIHVLZGGUAE-SFHVURJKSA-N 1 0 309.388 4.082 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000135666164 341243613 /nfs/dbraw/zinc/24/36/13/341243613.db2.gz HXTDBEWFSNAIED-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(Br)c1 ZINC000135674769 341243762 /nfs/dbraw/zinc/24/37/62/341243762.db2.gz UMJYLBUPIAXPNT-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000079046522 341252652 /nfs/dbraw/zinc/25/26/52/341252652.db2.gz YGUUBKYRROXISA-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000079076795 341253045 /nfs/dbraw/zinc/25/30/45/341253045.db2.gz ZYOYKOSCHNHGDJ-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000079720613 341264491 /nfs/dbraw/zinc/26/44/91/341264491.db2.gz RXMJLCXAKLQDOM-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO CCc1oc2ccccc2c1C[N@H+](C)CCCSCC#N ZINC000080625797 341274324 /nfs/dbraw/zinc/27/43/24/341274324.db2.gz WOTWAIWKLGMYKQ-UHFFFAOYSA-N 1 0 302.443 4.074 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000548934731 341281591 /nfs/dbraw/zinc/28/15/91/341281591.db2.gz QBKBGTVTKCJNJN-INIZCTEOSA-N 1 0 322.374 4.307 20 30 DIEDRO C[C@@H]([NH2+]CCc1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000548932881 341281620 /nfs/dbraw/zinc/28/16/20/341281620.db2.gz HEKPRIUSSPHCTB-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO CCCOc1ccc(OCC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000549167917 341287739 /nfs/dbraw/zinc/28/77/39/341287739.db2.gz XVXDQKKKNUDGRD-MRXNPFEDSA-N 1 0 324.424 4.077 20 30 DIEDRO CCOC(=O)C1CCC([N@H+](CC)CCCCC(C)(C)C#N)CC1 ZINC000549180755 341288131 /nfs/dbraw/zinc/28/81/31/341288131.db2.gz ZAVCPZOZKQCPPA-UHFFFAOYSA-N 1 0 322.493 4.150 20 30 DIEDRO C=CCOCC[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000549611394 341298840 /nfs/dbraw/zinc/29/88/40/341298840.db2.gz VLSCQENNJBWRMJ-UHFFFAOYSA-N 1 0 319.754 4.140 20 30 DIEDRO C=CCc1cc(C[NH2+]C2CC(C(C)(C)C)C2)cc(OC)c1O ZINC000550256834 341313689 /nfs/dbraw/zinc/31/36/89/341313689.db2.gz LOWTYNXXMOJCHF-UHFFFAOYSA-N 1 0 303.446 4.044 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCCSCc3ccccc3)CC2)c1 ZINC000551411142 341340875 /nfs/dbraw/zinc/34/08/75/341340875.db2.gz AEUHJXAQFWHTAT-UHFFFAOYSA-N 1 0 322.477 4.460 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2c(s1)CCC2 ZINC000551557734 341345314 /nfs/dbraw/zinc/34/53/14/341345314.db2.gz HHVPPAIEDISAPE-ZDUSSCGKSA-N 1 0 308.450 4.448 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CC3Cc4ccccc4C3)CC2)cc1 ZINC000564382788 341350802 /nfs/dbraw/zinc/35/08/02/341350802.db2.gz XAIHWDIAEYHPGJ-UHFFFAOYSA-N 1 0 314.432 4.062 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCCCC)cc1 ZINC000551778636 341351057 /nfs/dbraw/zinc/35/10/57/341351057.db2.gz LBTNZSOJPUKSIS-KPFFTGBYSA-N 1 0 317.473 4.497 20 30 DIEDRO COc1cc(C)ccc1[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551805453 341352243 /nfs/dbraw/zinc/35/22/43/341352243.db2.gz UDJQDSDTUPCCQZ-OAHLLOKOSA-N 1 0 306.409 4.215 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551823460 341353217 /nfs/dbraw/zinc/35/32/17/341353217.db2.gz GWFIKFDTKRNENN-HUUCEWRRSA-N 1 0 308.347 4.235 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OCCC)nc1)c1ccco1 ZINC000552043542 341364451 /nfs/dbraw/zinc/36/44/51/341364451.db2.gz RAINUUUNORFYHZ-INIZCTEOSA-N 1 0 300.402 4.261 20 30 DIEDRO COc1ccc(C[C@@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)cc1 ZINC000552059437 341365981 /nfs/dbraw/zinc/36/59/81/341365981.db2.gz AUFPROOFPILLFJ-SFHVURJKSA-N 1 0 314.473 4.280 20 30 DIEDRO CC(C)[C@@H]1[N@H+](Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000552072504 341367574 /nfs/dbraw/zinc/36/75/74/341367574.db2.gz MXSONFFBQUHSTO-SFHVURJKSA-N 1 0 300.446 4.236 20 30 DIEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000552076298 341367869 /nfs/dbraw/zinc/36/78/69/341367869.db2.gz FWSYAORETROMKX-APWZRJJASA-N 1 0 322.456 4.084 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000552088726 341368842 /nfs/dbraw/zinc/36/88/42/341368842.db2.gz QOOVWLIAKUQGNY-ZDUSSCGKSA-N 1 0 301.352 4.462 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000552246005 341381014 /nfs/dbraw/zinc/38/10/14/341381014.db2.gz DPPWPEFDINCTIV-OAHLLOKOSA-N 1 0 300.358 4.027 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccco1 ZINC000552249030 341381224 /nfs/dbraw/zinc/38/12/24/341381224.db2.gz ZWUGIQGQAACIGY-MAUKXSAKSA-N 1 0 315.413 4.353 20 30 DIEDRO C[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000552283113 341384040 /nfs/dbraw/zinc/38/40/40/341384040.db2.gz YVIXFOSECXVTCO-WMZOPIPTSA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cn2)cc1 ZINC000552322305 341386482 /nfs/dbraw/zinc/38/64/82/341386482.db2.gz JFZVCMXAGPGRCE-CYBMUJFWSA-N 1 0 302.805 4.151 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000248831200 341388022 /nfs/dbraw/zinc/38/80/22/341388022.db2.gz MNOIUJDFCRKTQZ-CWFSZBLJSA-N 1 0 306.409 4.129 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000249059189 341392940 /nfs/dbraw/zinc/39/29/40/341392940.db2.gz ZLNCFWJXJNXBPD-XNRPHZJLSA-N 1 0 304.821 4.226 20 30 DIEDRO C=CCN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Cl)s1 ZINC000552566103 341399096 /nfs/dbraw/zinc/39/90/96/341399096.db2.gz SBWZBLUTQPQJPQ-AWEZNQCLSA-N 1 0 312.910 4.264 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc1 ZINC000089802205 341408881 /nfs/dbraw/zinc/40/88/81/341408881.db2.gz KBJZQFKDRBHWMZ-UHFFFAOYSA-N 1 0 312.363 4.396 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)s1 ZINC000553517046 341431024 /nfs/dbraw/zinc/43/10/24/341431024.db2.gz HBCFPWPLDPABFV-UHFFFAOYSA-N 1 0 311.435 4.033 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000554079669 341442983 /nfs/dbraw/zinc/44/29/83/341442983.db2.gz YZHWGNZHENJPPD-SFHVURJKSA-N 1 0 311.404 4.359 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)c1ccc(C#N)cc1 ZINC000554842642 341466165 /nfs/dbraw/zinc/46/61/65/341466165.db2.gz ISTJVDYCNRONJB-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Cl)c(F)c1 ZINC000555291199 341479327 /nfs/dbraw/zinc/47/93/27/341479327.db2.gz BGDIFYORBHZUSH-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000555590752 341486167 /nfs/dbraw/zinc/48/61/67/341486167.db2.gz LFVZIBIJOBOCMD-KRWDZBQOSA-N 1 0 318.342 4.384 20 30 DIEDRO C[C@H](Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000093919054 341486408 /nfs/dbraw/zinc/48/64/08/341486408.db2.gz XLLWLQNWVSXHKE-KRWDZBQOSA-N 1 0 319.452 4.370 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000565509632 341529365 /nfs/dbraw/zinc/52/93/65/341529365.db2.gz PRJIOFYNODVGTO-BTYIYWSLSA-N 1 0 320.436 4.165 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000565745952 341536891 /nfs/dbraw/zinc/53/68/91/341536891.db2.gz PXGCSGSUBNNGDS-UGSOOPFHSA-N 1 0 321.380 4.113 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000566068066 341546958 /nfs/dbraw/zinc/54/69/58/341546958.db2.gz QMRSLZUKQOOJEC-VLIAUNLRSA-N 1 0 308.400 4.305 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)c(OC(C)C)c1 ZINC000153673885 341576789 /nfs/dbraw/zinc/57/67/89/341576789.db2.gz BYUSZVOHSRSOBD-UHFFFAOYSA-N 1 0 300.427 4.005 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(F)c(OC)c2)cc1 ZINC000154431070 341589258 /nfs/dbraw/zinc/58/92/58/341589258.db2.gz DIPVQQVGHFRTGV-CQSZACIVSA-N 1 0 315.388 4.250 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000157035076 341630854 /nfs/dbraw/zinc/63/08/54/341630854.db2.gz VOBNBQYYPPGOIN-INIZCTEOSA-N 1 0 316.489 4.165 20 30 DIEDRO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000567970563 341643323 /nfs/dbraw/zinc/64/33/23/341643323.db2.gz IEKHPOCVDSNIPY-AWEZNQCLSA-N 1 0 311.404 4.029 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCc1cccc(C)n1)c1ccc(F)c(F)c1 ZINC000573840140 341740885 /nfs/dbraw/zinc/74/08/85/341740885.db2.gz NBIHFEXPPWCQCL-GOSISDBHSA-N 1 0 302.368 4.118 20 30 DIEDRO C=CCSCC[NH2+]C/C(C)=C/c1ccccc1OC(F)F ZINC000574368778 341756661 /nfs/dbraw/zinc/75/66/61/341756661.db2.gz RVMFPLCNSFXDJR-ACCUITESSA-N 1 0 313.413 4.200 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000574420601 341758174 /nfs/dbraw/zinc/75/81/74/341758174.db2.gz JGZJDJHJVLDBAV-AZUAARDMSA-N 1 0 303.409 4.004 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000574577209 341762814 /nfs/dbraw/zinc/76/28/14/341762814.db2.gz ZONDPDUEZNSPMY-ZDUSSCGKSA-N 1 0 321.380 4.195 20 30 DIEDRO C=CCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000574755256 341767908 /nfs/dbraw/zinc/76/79/08/341767908.db2.gz CJDGDDWTAFUMTI-UHFFFAOYSA-N 1 0 316.832 4.370 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000336718220 341804629 /nfs/dbraw/zinc/80/46/29/341804629.db2.gz RIOXSVMAMUQWGG-UHFFFAOYSA-N 1 0 306.409 4.049 20 30 DIEDRO CCCCOc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000176949222 341905924 /nfs/dbraw/zinc/90/59/24/341905924.db2.gz ORMFNBUDKXTJHE-UHFFFAOYSA-N 1 0 300.427 4.088 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000177176492 341917228 /nfs/dbraw/zinc/91/72/28/341917228.db2.gz AUPBBSMVFMOAEQ-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO COc1cccc(C[C@H]([NH2+]CCCCC#N)c2ccccc2)c1 ZINC000178642609 341960678 /nfs/dbraw/zinc/96/06/78/341960678.db2.gz LYKDXKPMHZCAIX-FQEVSTJZSA-N 1 0 308.425 4.262 20 30 DIEDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000181578384 519821374 /nfs/dbraw/zinc/82/13/74/519821374.db2.gz PWDXZUZVZZTMLS-LIRRHRJNSA-N 1 0 318.424 4.482 20 30 DIEDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000181578308 519821425 /nfs/dbraw/zinc/82/14/25/519821425.db2.gz LBKVZUIEWWKSJH-LIRRHRJNSA-N 1 0 318.424 4.482 20 30 DIEDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000181578341 519821533 /nfs/dbraw/zinc/82/15/33/519821533.db2.gz LBKVZUIEWWKSJH-KUHUBIRLSA-N 1 0 318.424 4.482 20 30 DIEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000156878743 521361777 /nfs/dbraw/zinc/36/17/77/521361777.db2.gz ACDFWJFLXFUTPH-INIZCTEOSA-N 1 0 324.428 4.009 20 30 DIEDRO CCC(CC)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000181270509 521623511 /nfs/dbraw/zinc/62/35/11/521623511.db2.gz DMPTWRFWMAQZEA-ZOCIIQOWSA-N 1 0 300.446 4.193 20 30 DIEDRO CCC(CC)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000181270775 521625482 /nfs/dbraw/zinc/62/54/82/521625482.db2.gz KJQCUBMAEIBMGP-GDIGMMSISA-N 1 0 300.446 4.193 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000153721167 522938950 /nfs/dbraw/zinc/93/89/50/522938950.db2.gz YUKSZOKUGRQIRO-FZKQIMNGSA-N 1 0 309.369 4.268 20 30 DIEDRO C[C@H]1C[C@H]1[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191212969 524966343 /nfs/dbraw/zinc/96/63/43/524966343.db2.gz NATCBFHYKFBTPV-JBBXEZCESA-N 1 0 313.832 4.037 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccc(C#N)cc1 ZINC000266186461 525447594 /nfs/dbraw/zinc/44/75/94/525447594.db2.gz HKLOVPLAIRDTQU-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc(C#N)c1 ZINC000181930440 525457816 /nfs/dbraw/zinc/45/78/16/525457816.db2.gz WVXAGMZDFOABIQ-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1OCC1CC1)c1cccc(C#N)c1 ZINC000181787126 525463702 /nfs/dbraw/zinc/46/37/02/525463702.db2.gz KMYZFNVSRSZITM-HNNXBMFYSA-N 1 0 306.409 4.198 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000181622931 525628138 /nfs/dbraw/zinc/62/81/38/525628138.db2.gz CANBHLLSEJAUIS-XPGWFJOJSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000158189892 525689019 /nfs/dbraw/zinc/68/90/19/525689019.db2.gz UXDJNHNZXMCNJZ-WNYOCNMUSA-N 1 0 324.399 4.268 20 30 DIEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000289075871 536470083 /nfs/dbraw/zinc/47/00/83/536470083.db2.gz SKEDAPFOINNJQB-OKILXGFUSA-N 1 0 314.326 4.250 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000182353464 526709449 /nfs/dbraw/zinc/70/94/49/526709449.db2.gz QLIYPFGICNMJEY-KRWDZBQOSA-N 1 0 312.800 4.215 20 30 DIEDRO CC[C@H]([NH2+][C@@H](CCOC)c1ccc(C)o1)c1ccc(C#N)cc1 ZINC000278356261 535930700 /nfs/dbraw/zinc/93/07/00/535930700.db2.gz BBTARLQBUJKPER-ROUUACIJSA-N 1 0 312.413 4.278 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](C)c1ccc(Br)s1 ZINC001172481197 1051403908 /nfs/dbraw/zinc/40/39/08/1051403908.db2.gz QMXJBIUVCWRCPP-NXEZZACHSA-N 1 0 301.253 4.244 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001207899490 1035519377 /nfs/dbraw/zinc/51/93/77/1035519377.db2.gz BZVQZLAOWBXKSP-UHFFFAOYSA-N 1 0 320.521 4.380 20 30 DIEDRO CC[N@H+](Cc1cccc(N(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000610211602 1035738485 /nfs/dbraw/zinc/73/84/85/1035738485.db2.gz SFDRKJDOPNLELI-INIZCTEOSA-N 1 0 307.441 4.207 20 30 DIEDRO CCCCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)CCC ZINC000064806967 1035746954 /nfs/dbraw/zinc/74/69/54/1035746954.db2.gz NABKXCLQJJPSSS-QGZVFWFLSA-N 1 0 321.509 4.010 20 30 DIEDRO Cc1ccccc1[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000610217596 1035760743 /nfs/dbraw/zinc/76/07/43/1035760743.db2.gz NJBAHJACFAMDGZ-OXQOHEQNSA-N 1 0 306.409 4.001 20 30 DIEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000119354382 1035770738 /nfs/dbraw/zinc/77/07/38/1035770738.db2.gz YJCXXLLLTIOUIX-IUCAKERBSA-N 1 0 307.287 4.115 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000154331423 1035867681 /nfs/dbraw/zinc/86/76/81/1035867681.db2.gz KGQCSJDLHCISPB-UONOGXRCSA-N 1 0 309.369 4.187 20 30 DIEDRO C=CC[N@H+](CCCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300570 1035930364 /nfs/dbraw/zinc/93/03/64/1035930364.db2.gz WESCKZVVPSTJIX-UHFFFAOYSA-N 1 0 306.409 4.015 20 30 DIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCc2ccccc21 ZINC000179906695 1035991486 /nfs/dbraw/zinc/99/14/86/1035991486.db2.gz LVQGWSHUVQAKCG-NRFANRHFSA-N 1 0 320.436 4.488 20 30 DIEDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000127110831 1036008777 /nfs/dbraw/zinc/00/87/77/1036008777.db2.gz NLGAVXBEDYKTLY-UHFFFAOYSA-N 1 0 302.418 4.346 20 30 DIEDRO C=CCN1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180234546 1036047340 /nfs/dbraw/zinc/04/73/40/1036047340.db2.gz QCVLJRJWIIHXKL-UHFFFAOYSA-N 1 0 320.480 4.059 20 30 DIEDRO C=CCCCC[NH+]1CCC(Oc2ccc(C)cc2OC)CC1 ZINC001209206964 1036059367 /nfs/dbraw/zinc/05/93/67/1036059367.db2.gz DSNSOTMXMAIUND-UHFFFAOYSA-N 1 0 303.446 4.203 20 30 DIEDRO C=CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000275186229 1036117839 /nfs/dbraw/zinc/11/78/39/1036117839.db2.gz XRDABMOGSKBWHH-IBGZPJMESA-N 1 0 308.425 4.047 20 30 DIEDRO C=CCCCCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC001209425978 1036164795 /nfs/dbraw/zinc/16/47/95/1036164795.db2.gz HZFOUAUOXKZAGL-UHFFFAOYSA-N 1 0 307.865 4.370 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001209439725 1036185164 /nfs/dbraw/zinc/18/51/64/1036185164.db2.gz WVBDVWATQWYZKU-WOJBJXKFSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCC[C@]2(C[C@@H](OCC=C)CO2)C1 ZINC001209439460 1036185759 /nfs/dbraw/zinc/18/57/59/1036185759.db2.gz QOGUSPMRRDBJAO-UXHICEINSA-N 1 0 321.505 4.339 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(c2nc(CC)no2)CC1 ZINC001209442284 1036188801 /nfs/dbraw/zinc/18/88/01/1036188801.db2.gz PUQJBXDMJHZEGX-UHFFFAOYSA-N 1 0 305.466 4.338 20 30 DIEDRO C=CCCCCCCC[N@@H+](C)C1CCN(C(=O)OCC)CC1 ZINC001209442026 1036189069 /nfs/dbraw/zinc/18/90/69/1036189069.db2.gz NTAGROMBANZRLL-UHFFFAOYSA-N 1 0 310.482 4.066 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC001209446426 1036195523 /nfs/dbraw/zinc/19/55/23/1036195523.db2.gz YRXCISZDOUANAW-UHFFFAOYSA-N 1 0 322.537 4.090 20 30 DIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)CC2CCC2)c1F ZINC001167157283 1036223604 /nfs/dbraw/zinc/22/36/04/1036223604.db2.gz IPFSNIQYVBPNFD-UHFFFAOYSA-N 1 0 308.400 4.500 20 30 DIEDRO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC001167199247 1036264408 /nfs/dbraw/zinc/26/44/08/1036264408.db2.gz HYYLDBUJIOTAHC-NRFANRHFSA-N 1 0 322.452 4.058 20 30 DIEDRO C=C(C)C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000119650149 1036280368 /nfs/dbraw/zinc/28/03/68/1036280368.db2.gz WRFUCTGXQHQZSB-UHFFFAOYSA-N 1 0 314.816 4.258 20 30 DIEDRO C=CC[N@@H+](CCc1ccc(CC)cc1)Cc1cccc(C#N)c1 ZINC001167251859 1036323886 /nfs/dbraw/zinc/32/38/86/1036323886.db2.gz MDALWHMFBLYRRC-UHFFFAOYSA-N 1 0 304.437 4.351 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000610270660 1036404164 /nfs/dbraw/zinc/40/41/64/1036404164.db2.gz MLIWRSYUIDVEKL-UHFFFAOYSA-N 1 0 309.413 4.293 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000610271486 1036406707 /nfs/dbraw/zinc/40/67/07/1036406707.db2.gz NMOBSEHQWMBSDE-WOJBJXKFSA-N 1 0 312.457 4.428 20 30 DIEDRO C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000608860954 1036476969 /nfs/dbraw/zinc/47/69/69/1036476969.db2.gz AJHOGHSWXCETCS-OAHLLOKOSA-N 1 0 314.454 4.151 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000176972540 1036525228 /nfs/dbraw/zinc/52/52/28/1036525228.db2.gz SCOUJMDQWKZUBS-MEDUHNTESA-N 1 0 320.845 4.139 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC001167307017 1036584760 /nfs/dbraw/zinc/58/47/60/1036584760.db2.gz OJBWIVMZMZDTQV-GOSISDBHSA-N 1 0 313.441 4.178 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001648848654 1036629828 /nfs/dbraw/zinc/62/98/28/1036629828.db2.gz WPOZHRHKRGEFIU-YOEHRIQHSA-N 1 0 320.864 4.393 20 30 DIEDRO C[C@H](C[N@@H+]1CCCN(c2ccccc2C#N)CC1)CC(C)(C)C ZINC001167318374 1036679917 /nfs/dbraw/zinc/67/99/17/1036679917.db2.gz JQUSDSIAJPQXHR-KRWDZBQOSA-N 1 0 313.489 4.143 20 30 DIEDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000610341649 1036832424 /nfs/dbraw/zinc/83/24/24/1036832424.db2.gz HNOGAKDEWKOEOL-HNNXBMFYSA-N 1 0 308.425 4.195 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000610344895 1036837768 /nfs/dbraw/zinc/83/77/68/1036837768.db2.gz KWWVIBBUMBMYQD-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cccc(C#N)c1 ZINC000610344763 1036838271 /nfs/dbraw/zinc/83/82/71/1036838271.db2.gz HMUUDTAKCRVSIN-INIZCTEOSA-N 1 0 319.408 4.092 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)cc1N)C1CCCCC1 ZINC001140224742 1036870680 /nfs/dbraw/zinc/87/06/80/1036870680.db2.gz DPRIWBUHHSLIRV-UHFFFAOYSA-N 1 0 323.278 4.352 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000683783325 1036910391 /nfs/dbraw/zinc/91/03/91/1036910391.db2.gz UPIMZSFUKRMGAI-PHIMTYICSA-N 1 0 303.290 4.405 20 30 DIEDRO C=CCCCCC[NH2+]C1(c2ccc(OC)cc2)CCOCC1 ZINC000683783780 1036912795 /nfs/dbraw/zinc/91/27/95/1036912795.db2.gz QMADQGJPAJPPGP-UHFFFAOYSA-N 1 0 303.446 4.037 20 30 DIEDRO C[C@H]1CC(=O)C=C(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)C1 ZINC001210773043 1036951569 /nfs/dbraw/zinc/95/15/69/1036951569.db2.gz QYQPIPTYAQXSPO-GFCCVEGCSA-N 1 0 317.392 4.265 20 30 DIEDRO C[C@H](C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C(C)(C)C ZINC001167357900 1036968160 /nfs/dbraw/zinc/96/81/60/1036968160.db2.gz VJASWIBMSQNBHL-OAHLLOKOSA-N 1 0 300.446 4.084 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2cnccc2c1 ZINC000683827441 1036979424 /nfs/dbraw/zinc/97/94/24/1036979424.db2.gz WWFQHZJTYHRTKR-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO CC(C)(C)c1ccc(C2(C[NH2+]C[C@@H](C#N)CCC#N)CCC2)cc1 ZINC000558506693 1037081579 /nfs/dbraw/zinc/08/15/79/1037081579.db2.gz IKWJOUPDBRPWAT-QGZVFWFLSA-N 1 0 323.484 4.439 20 30 DIEDRO C[N@H+](Cc1ccccc1NC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000580435869 1037134553 /nfs/dbraw/zinc/13/45/53/1037134553.db2.gz MZKFZYDXNPNCPB-QGZVFWFLSA-N 1 0 324.472 4.307 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000177856955 1037364541 /nfs/dbraw/zinc/36/45/41/1037364541.db2.gz KGAXWCHMFJICLA-NSHDSACASA-N 1 0 317.433 4.437 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1F ZINC000177857841 1037366552 /nfs/dbraw/zinc/36/65/52/1037366552.db2.gz FIJUECGYAYNWFN-LLVKDONJSA-N 1 0 318.392 4.409 20 30 DIEDRO N#Cc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c(F)c1 ZINC000177859533 1037372380 /nfs/dbraw/zinc/37/23/80/1037372380.db2.gz BOKAWHLOWWKQED-SFHVURJKSA-N 1 0 322.383 4.233 20 30 DIEDRO CCC[N@H+](Cc1cccc(C#N)c1F)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001167443261 1037414188 /nfs/dbraw/zinc/41/41/88/1037414188.db2.gz QYNHGZAOJJXBMP-IAGOWNOFSA-N 1 0 318.436 4.113 20 30 DIEDRO CCCCCCC[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000157809335 1037502419 /nfs/dbraw/zinc/50/24/19/1037502419.db2.gz JEDXXPJCVZPIIN-UHFFFAOYSA-N 1 0 320.477 4.061 20 30 DIEDRO CC[C@H]1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000581263038 1037505704 /nfs/dbraw/zinc/50/57/04/1037505704.db2.gz XTKUWJRDVQKRNT-ZWKOTPCHSA-N 1 0 311.473 4.155 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]CC1(Cc2ccccc2)CCCCC1 ZINC000581344795 1037544090 /nfs/dbraw/zinc/54/40/90/1037544090.db2.gz PPYYRPCSBNXWLI-LJQANCHMSA-N 1 0 309.457 4.213 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000581388237 1037571021 /nfs/dbraw/zinc/57/10/21/1037571021.db2.gz PEJTZQOCYHTEQG-HNNXBMFYSA-N 1 0 321.262 4.356 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC001167461282 1037635829 /nfs/dbraw/zinc/63/58/29/1037635829.db2.gz DRUDDZGICUISMP-UHFFFAOYSA-N 1 0 301.409 4.190 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC001167461778 1037635896 /nfs/dbraw/zinc/63/58/96/1037635896.db2.gz RPQMXQNUFKAZLC-UHFFFAOYSA-N 1 0 308.853 4.265 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC001167464359 1037653807 /nfs/dbraw/zinc/65/38/07/1037653807.db2.gz JYZAJEZTIJXWAC-VQIMIIECSA-N 1 0 320.436 4.253 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)c1C ZINC001167465162 1037669860 /nfs/dbraw/zinc/66/98/60/1037669860.db2.gz VKAJPGLUIYFCDK-LEWJYISDSA-N 1 0 320.436 4.046 20 30 DIEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000276370533 1037754733 /nfs/dbraw/zinc/75/47/33/1037754733.db2.gz GUPWFPLBWXBPRJ-INIZCTEOSA-N 1 0 308.425 4.189 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000160969920 1037779061 /nfs/dbraw/zinc/77/90/61/1037779061.db2.gz MIMDSRLPAYNGGN-GOSISDBHSA-N 1 0 311.450 4.317 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccco1 ZINC000276429015 1037844372 /nfs/dbraw/zinc/84/43/72/1037844372.db2.gz IKUGWKWBVMSJFL-IBGZPJMESA-N 1 0 321.424 4.322 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccco1 ZINC000276429018 1037845358 /nfs/dbraw/zinc/84/53/58/1037845358.db2.gz IKUGWKWBVMSJFL-LJQANCHMSA-N 1 0 321.424 4.322 20 30 DIEDRO CC(NCc1nc(C#N)cs1)(c1ccccc1)c1ccccc1 ZINC000581696231 1037922785 /nfs/dbraw/zinc/92/27/85/1037922785.db2.gz ZMAIEBODXYQFDE-UHFFFAOYSA-N 1 0 319.433 4.068 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000337540280 1037977921 /nfs/dbraw/zinc/97/79/21/1037977921.db2.gz ICSLTMPQZSMNTM-ULQDDVLXSA-N 1 0 320.383 4.076 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000602431237 1038006407 /nfs/dbraw/zinc/00/64/07/1038006407.db2.gz CNAFHALRLJOTQP-HUUCEWRRSA-N 1 0 313.470 4.416 20 30 DIEDRO CC[N@H+](Cc1ccc2nccnc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444468 1038010283 /nfs/dbraw/zinc/01/02/83/1038010283.db2.gz NJKQUEGZPMLXBE-HNNXBMFYSA-N 1 0 316.408 4.085 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000602448367 1038011508 /nfs/dbraw/zinc/01/15/08/1038011508.db2.gz GAZXEWCNLKHRBY-CRAIPNDOSA-N 1 0 310.445 4.040 20 30 DIEDRO COc1ccc([C@H]([NH2+]C2CCC(C#N)CC2)c2ccccc2)cc1 ZINC000602501476 1038017133 /nfs/dbraw/zinc/01/71/33/1038017133.db2.gz DUZSZSYACQXDTP-VFIGECHUSA-N 1 0 320.436 4.457 20 30 DIEDRO N#CC1CCC(Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000602486718 1038019184 /nfs/dbraw/zinc/01/91/84/1038019184.db2.gz HNLOPMMMLOCZLJ-UHFFFAOYSA-N 1 0 311.473 4.209 20 30 DIEDRO CC(C)c1ccc(CC[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602497571 1038023158 /nfs/dbraw/zinc/02/31/58/1038023158.db2.gz BSTMNSZWCPUQMC-KRWDZBQOSA-N 1 0 314.473 4.041 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000602516349 1038024009 /nfs/dbraw/zinc/02/40/09/1038024009.db2.gz ZLLUMXXABJRXPZ-SFHVURJKSA-N 1 0 322.452 4.433 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C)c1ccccc1 ZINC000276578957 1038024027 /nfs/dbraw/zinc/02/40/27/1038024027.db2.gz UYWKGTNEIPJHOQ-HNAYVOBHSA-N 1 0 309.457 4.362 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C)c1ccccc1 ZINC000276578961 1038024574 /nfs/dbraw/zinc/02/45/74/1038024574.db2.gz UYWKGTNEIPJHOQ-KXBFYZLASA-N 1 0 309.457 4.362 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000602499662 1038024673 /nfs/dbraw/zinc/02/46/73/1038024673.db2.gz RVAXGIDNKQIMIB-CRAIPNDOSA-N 1 0 319.880 4.006 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000602499664 1038024925 /nfs/dbraw/zinc/02/49/25/1038024925.db2.gz RVAXGIDNKQIMIB-QAPCUYQASA-N 1 0 319.880 4.006 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1csc2ccccc12 ZINC000602516405 1038025956 /nfs/dbraw/zinc/02/59/56/1038025956.db2.gz KYCNQOUFLYLXFC-AWEZNQCLSA-N 1 0 314.454 4.090 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1cccc2ccccc21 ZINC000602511235 1038030755 /nfs/dbraw/zinc/03/07/55/1038030755.db2.gz OGIJXJRNGVADIK-KRWDZBQOSA-N 1 0 322.452 4.071 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000602509506 1038031576 /nfs/dbraw/zinc/03/15/76/1038031576.db2.gz HMWXEHUUASOIJA-CQSZACIVSA-N 1 0 313.376 4.042 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CCC#N)cc1OCC ZINC000602511234 1038031824 /nfs/dbraw/zinc/03/18/24/1038031824.db2.gz UJKNFSMXQYEFPF-HUUCEWRRSA-N 1 0 304.434 4.074 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000602511298 1038032332 /nfs/dbraw/zinc/03/23/32/1038032332.db2.gz POYITXPZZSZSEJ-INIZCTEOSA-N 1 0 312.413 4.026 20 30 DIEDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602529453 1038032941 /nfs/dbraw/zinc/03/29/41/1038032941.db2.gz PMTAKWVZNMWJLR-HOCLYGCPSA-N 1 0 319.880 4.004 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000602544978 1038033840 /nfs/dbraw/zinc/03/38/40/1038033840.db2.gz GGDPHMBFKKNIKR-UHFFFAOYSA-N 1 0 311.816 4.166 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602539040 1038033938 /nfs/dbraw/zinc/03/39/38/1038033938.db2.gz QCXFALKSGCYULC-GJZGRUSLSA-N 1 0 306.475 4.016 20 30 DIEDRO COCCSc1ccc([C@@H](C)[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602539041 1038033993 /nfs/dbraw/zinc/03/39/93/1038033993.db2.gz QCXFALKSGCYULC-HUUCEWRRSA-N 1 0 306.475 4.016 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000602525977 1038035016 /nfs/dbraw/zinc/03/50/16/1038035016.db2.gz NKWGKHFDZOVUFF-STQMWFEESA-N 1 0 314.351 4.002 20 30 DIEDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C)CCC#N ZINC000602525974 1038035076 /nfs/dbraw/zinc/03/50/76/1038035076.db2.gz NKWGKHFDZOVUFF-QWHCGFSZSA-N 1 0 314.351 4.002 20 30 DIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602529449 1038035364 /nfs/dbraw/zinc/03/53/64/1038035364.db2.gz PMTAKWVZNMWJLR-GOEBONIOSA-N 1 0 319.880 4.004 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602554601 1038036152 /nfs/dbraw/zinc/03/61/52/1038036152.db2.gz BTRLIBLFDIDYLO-KLBWVBMESA-N 1 0 306.837 4.088 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000602557127 1038036361 /nfs/dbraw/zinc/03/63/61/1038036361.db2.gz WEERHNVMYLNRHS-CYBMUJFWSA-N 1 0 321.262 4.010 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000602560997 1038036632 /nfs/dbraw/zinc/03/66/32/1038036632.db2.gz PFOOSHJNDJWCRV-VHSXEESVSA-N 1 0 305.369 4.142 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000602534420 1038037004 /nfs/dbraw/zinc/03/70/04/1038037004.db2.gz SRHCDYZKKYHITC-INIZCTEOSA-N 1 0 318.424 4.055 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1cccc(C#N)c1 ZINC000178178016 1038038131 /nfs/dbraw/zinc/03/81/31/1038038131.db2.gz RBBHCXODKZXNQY-JKSUJKDBSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602560658 1038039169 /nfs/dbraw/zinc/03/91/69/1038039169.db2.gz ZLEHYTIKDWKWJV-OCBCSQNSSA-N 1 0 311.816 4.094 20 30 DIEDRO COc1ccc(C[NH2+]C[C@H](C)CCC#N)c(OC2CCCC2)c1 ZINC000602564698 1038039971 /nfs/dbraw/zinc/03/99/71/1038039971.db2.gz NULICJOBAPRCHE-OAHLLOKOSA-N 1 0 316.445 4.046 20 30 DIEDRO Cc1cc(C)c(C#N)c(NCc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC000337730538 1038041818 /nfs/dbraw/zinc/04/18/18/1038041818.db2.gz NUKPJHNWRJZQCN-UHFFFAOYSA-N 1 0 322.456 4.022 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000602567641 1038042243 /nfs/dbraw/zinc/04/22/43/1038042243.db2.gz IZSNGMYPYUYTPW-KBXCAEBGSA-N 1 0 313.832 4.354 20 30 DIEDRO C[C@@H]([NH2+]CCC[C@H]1CCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602600126 1038045125 /nfs/dbraw/zinc/04/51/25/1038045125.db2.gz MEYVVXYCPKVYEZ-IERDGZPVSA-N 1 0 320.436 4.445 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000602578017 1038047731 /nfs/dbraw/zinc/04/77/31/1038047731.db2.gz XGPPLCGSRJVMNQ-FZMZJTMJSA-N 1 0 302.315 4.349 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000602576872 1038048148 /nfs/dbraw/zinc/04/81/48/1038048148.db2.gz RFVITQHEOUBRPS-LLVKDONJSA-N 1 0 307.850 4.022 20 30 DIEDRO N#CCC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000602579646 1038048212 /nfs/dbraw/zinc/04/82/12/1038048212.db2.gz COLYITFDDJWIKA-WIYYLYMNSA-N 1 0 319.452 4.148 20 30 DIEDRO N#CC1CCC([NH2+]CC2(CCOCc3ccccc3)CC2)CC1 ZINC000602619713 1038051661 /nfs/dbraw/zinc/05/16/61/1038051661.db2.gz PVLGXQNWQHTRMY-UHFFFAOYSA-N 1 0 312.457 4.045 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602644237 1038052611 /nfs/dbraw/zinc/05/26/11/1038052611.db2.gz AQRIPVZIKCKWEA-NOLJZWGESA-N 1 0 310.363 4.481 20 30 DIEDRO Cc1ccccc1C[N@@H+](Cc1cccnc1)C[C@H](C)CCC#N ZINC000602654539 1038059385 /nfs/dbraw/zinc/05/93/85/1038059385.db2.gz CSCDIRMBRPXWFG-QGZVFWFLSA-N 1 0 307.441 4.332 20 30 DIEDRO CC(C)O[C@H](C[NH2+]CC1CCC(C#N)CC1)c1ccccc1 ZINC000602658736 1038061923 /nfs/dbraw/zinc/06/19/23/1038061923.db2.gz XDMKYNWUNZMFCN-FAFZWHIHSA-N 1 0 300.446 4.072 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CC1(C#N)CCOCC1)CCC2 ZINC000602664021 1038064972 /nfs/dbraw/zinc/06/49/72/1038064972.db2.gz NHGYYQOHVYZFMK-APWZRJJASA-N 1 0 312.457 4.061 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000602661869 1038065352 /nfs/dbraw/zinc/06/53/52/1038065352.db2.gz KBGBQVBGKJZJQH-AWEZNQCLSA-N 1 0 313.420 4.426 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000602678809 1038069772 /nfs/dbraw/zinc/06/97/72/1038069772.db2.gz ZIOVBMOCUKPQSX-XNRPHZJLSA-N 1 0 321.262 4.225 20 30 DIEDRO CCCC[N@H+](C[C@@H](C)CCC#N)[C@H]1CCc2ncsc2C1 ZINC000602701117 1038073180 /nfs/dbraw/zinc/07/31/80/1038073180.db2.gz ASESAWSCYIDTPK-GJZGRUSLSA-N 1 0 305.491 4.042 20 30 DIEDRO Cc1cc([C@H]2CC[N@@H+](C[C@@H](C)CCC#N)C2)c(O)cc1Cl ZINC000602714053 1038076149 /nfs/dbraw/zinc/07/61/49/1038076149.db2.gz SJELFNRZHNDBBA-JSGCOSHPSA-N 1 0 306.837 4.083 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000602721581 1038077497 /nfs/dbraw/zinc/07/74/97/1038077497.db2.gz UUZTZLVYZJZIFL-XCVZWFEFSA-N 1 0 321.262 4.382 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000602726337 1038079652 /nfs/dbraw/zinc/07/96/52/1038079652.db2.gz PULOEMGTQWRSTC-DYVFJYSZSA-N 1 0 318.848 4.016 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F ZINC000602732866 1038080044 /nfs/dbraw/zinc/08/00/44/1038080044.db2.gz RZIAYSHNDHQZIE-LBPRGKRZSA-N 1 0 323.362 4.259 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000557395397 1038080485 /nfs/dbraw/zinc/08/04/85/1038080485.db2.gz WTKKLZQCJHOFKX-SFTDATJTSA-N 1 0 323.484 4.085 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000153017164 1038080681 /nfs/dbraw/zinc/08/06/81/1038080681.db2.gz FTWQHCMPAXOEPN-KRWDZBQOSA-N 1 0 316.489 4.165 20 30 DIEDRO Cc1cccc2c1CCC[C@H]2[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602725439 1038080735 /nfs/dbraw/zinc/08/07/35/1038080735.db2.gz WUOFFQASFJRAJL-QFBILLFUSA-N 1 0 312.457 4.061 20 30 DIEDRO N#CCC1(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000602811167 1038092365 /nfs/dbraw/zinc/09/23/65/1038092365.db2.gz KYKPPOIRQXPUSY-UHFFFAOYSA-N 1 0 302.368 4.138 20 30 DIEDRO C[C@H](c1ccccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911147 1038107482 /nfs/dbraw/zinc/10/74/82/1038107482.db2.gz XLXOGAGQEAZIAW-CQSZACIVSA-N 1 0 309.388 4.033 20 30 DIEDRO CC[N@H+](Cc1cnn(C2CCC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891657645 1038110366 /nfs/dbraw/zinc/11/03/66/1038110366.db2.gz YGAGDBCLBCXOFH-HNNXBMFYSA-N 1 0 308.429 4.063 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982335 1038115646 /nfs/dbraw/zinc/11/56/46/1038115646.db2.gz QULNDKMZTQFVBD-MJGOQNOKSA-N 1 0 324.472 4.139 20 30 DIEDRO COc1ccc(C([NH2+][C@@H](C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000602988214 1038119100 /nfs/dbraw/zinc/11/91/00/1038119100.db2.gz CCSKAZOUIZQQAA-HNNXBMFYSA-N 1 0 324.424 4.075 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000602991593 1038119565 /nfs/dbraw/zinc/11/95/65/1038119565.db2.gz IWJIKZWMLIUMFW-ZDUSSCGKSA-N 1 0 313.401 4.048 20 30 DIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000602991592 1038119648 /nfs/dbraw/zinc/11/96/48/1038119648.db2.gz IWJIKZWMLIUMFW-CYBMUJFWSA-N 1 0 313.401 4.048 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000598602115 1038125901 /nfs/dbraw/zinc/12/59/01/1038125901.db2.gz LARDEYCRSBPWDQ-IAGOWNOFSA-N 1 0 320.864 4.072 20 30 DIEDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598602882 1038126790 /nfs/dbraw/zinc/12/67/90/1038126790.db2.gz QUAQSJBRSGGBNG-KRWDZBQOSA-N 1 0 316.489 4.110 20 30 DIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598599122 1038128652 /nfs/dbraw/zinc/12/86/52/1038128652.db2.gz AAMVLAITCBBEPN-GOEBONIOSA-N 1 0 320.502 4.138 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598594468 1038129629 /nfs/dbraw/zinc/12/96/29/1038129629.db2.gz KKSIBAHMVDHBNC-DYVFJYSZSA-N 1 0 320.864 4.166 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598594711 1038129942 /nfs/dbraw/zinc/12/99/42/1038129942.db2.gz IFGMPFFEELHRGL-ZQIUZPCESA-N 1 0 322.880 4.065 20 30 DIEDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598593784 1038130461 /nfs/dbraw/zinc/13/04/61/1038130461.db2.gz WAEZEEJZZPKIAC-WBVHZDCISA-N 1 0 318.461 4.060 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000598679365 1038150230 /nfs/dbraw/zinc/15/02/30/1038150230.db2.gz HJPUMTVLJJPNLJ-DOMZBBRYSA-N 1 0 308.347 4.366 20 30 DIEDRO N#Cc1c(F)cccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000060991718 1038150419 /nfs/dbraw/zinc/15/04/19/1038150419.db2.gz VGTUBNWELNCMBS-INIZCTEOSA-N 1 0 315.417 4.008 20 30 DIEDRO Cc1cccc(-c2cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c2)c1 ZINC000598720490 1038159699 /nfs/dbraw/zinc/15/96/99/1038159699.db2.gz NUTSERDQLDNNKZ-HXUWFJFHSA-N 1 0 322.452 4.052 20 30 DIEDRO Cc1cccc(-c2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)c1 ZINC000598721232 1038160371 /nfs/dbraw/zinc/16/03/71/1038160371.db2.gz UCLBDWACSDLWTK-HXUWFJFHSA-N 1 0 322.452 4.052 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CCC2 ZINC000598727445 1038161882 /nfs/dbraw/zinc/16/18/82/1038161882.db2.gz XDDIESVLZKTWBH-IEBWSBKVSA-N 1 0 314.473 4.078 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CCC2 ZINC000598727451 1038162718 /nfs/dbraw/zinc/16/27/18/1038162718.db2.gz XDDIESVLZKTWBH-MJGOQNOKSA-N 1 0 314.473 4.078 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(OCC#N)cc2)C(C)C)cc1 ZINC000170668726 1038162878 /nfs/dbraw/zinc/16/28/78/1038162878.db2.gz HKRIYMZNKMBECO-HXUWFJFHSA-N 1 0 324.424 4.084 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2OC)cc1 ZINC000581935024 1038164991 /nfs/dbraw/zinc/16/49/91/1038164991.db2.gz NGBNWBFYOVWYIG-INIZCTEOSA-N 1 0 311.425 4.419 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000090975057 1038171484 /nfs/dbraw/zinc/17/14/84/1038171484.db2.gz XLCZNMVIPPPCBE-OFLPRAFFSA-N 1 0 307.478 4.221 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3Cl)CCC2)s1 ZINC000593648208 1038199951 /nfs/dbraw/zinc/19/99/51/1038199951.db2.gz GPTWOHODIBUXMS-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C34CC(c5ccccc5)(C3)C4)cc2)CC1 ZINC000603428178 1038207990 /nfs/dbraw/zinc/20/79/90/1038207990.db2.gz KTQKJSHMUDNULM-UHFFFAOYSA-N 1 0 314.432 4.206 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC000599023563 1038213441 /nfs/dbraw/zinc/21/34/41/1038213441.db2.gz TZWZYGJADOPRKT-MRXNPFEDSA-N 1 0 302.830 4.440 20 30 DIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000598996063 1038214016 /nfs/dbraw/zinc/21/40/16/1038214016.db2.gz ARHQOLSZJRLZGB-SHTZXODSSA-N 1 0 306.475 4.083 20 30 DIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000598996278 1038214689 /nfs/dbraw/zinc/21/46/89/1038214689.db2.gz FKMTYCYVWZFRJQ-IYARVYRRSA-N 1 0 318.436 4.161 20 30 DIEDRO N#CCCCC[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000599025577 1038217542 /nfs/dbraw/zinc/21/75/42/1038217542.db2.gz DBFKEGKOVMHRJW-INIZCTEOSA-N 1 0 301.821 4.482 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccnc(-c3ccccc3)c2)CC1 ZINC000599014115 1038219763 /nfs/dbraw/zinc/21/97/63/1038219763.db2.gz OVTRJQBJQFLORF-UHFFFAOYSA-N 1 0 305.425 4.311 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1C(C)(C)C#N ZINC000933775278 1038221293 /nfs/dbraw/zinc/22/12/93/1038221293.db2.gz NDROJOSWAFFSMI-UHFFFAOYSA-N 1 0 309.438 4.053 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C1 ZINC000599043980 1038222098 /nfs/dbraw/zinc/22/20/98/1038222098.db2.gz QLTLAHDYLPOESC-ZUCKAHLUSA-N 1 0 313.832 4.481 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C1 ZINC000599043966 1038222248 /nfs/dbraw/zinc/22/22/48/1038222248.db2.gz QLTLAHDYLPOESC-BTJLNZGRSA-N 1 0 313.832 4.481 20 30 DIEDRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000599049854 1038222265 /nfs/dbraw/zinc/22/22/65/1038222265.db2.gz UBPOPHIZYZVBRP-GFCCVEGCSA-N 1 0 309.251 4.348 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599068194 1038230668 /nfs/dbraw/zinc/23/06/68/1038230668.db2.gz LULYMDLUUZOMOP-TZIWHRDSSA-N 1 0 317.436 4.462 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)nc1 ZINC000599069317 1038231408 /nfs/dbraw/zinc/23/14/08/1038231408.db2.gz GFFPGOPCJYFLNS-AWEZNQCLSA-N 1 0 311.404 4.029 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)CC2 ZINC000599087071 1038237322 /nfs/dbraw/zinc/23/73/22/1038237322.db2.gz ZKBNRGGVJZKYKI-HNNXBMFYSA-N 1 0 308.347 4.258 20 30 DIEDRO CCCC[C@H](CC)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593701931 1038255927 /nfs/dbraw/zinc/25/59/27/1038255927.db2.gz HYUIRAKCOYKSMC-IBGZPJMESA-N 1 0 313.489 4.081 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341757049 1038260805 /nfs/dbraw/zinc/26/08/05/1038260805.db2.gz HICKSPHFECZVJN-IFXJQAMLSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000341756048 1038262371 /nfs/dbraw/zinc/26/23/71/1038262371.db2.gz BSPIOOTVLLDMMM-ACJLOTCBSA-N 1 0 320.392 4.015 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341759527 1038263230 /nfs/dbraw/zinc/26/32/30/1038263230.db2.gz GPDCXKGWOCOJSO-VLIAUNLRSA-N 1 0 306.409 4.295 20 30 DIEDRO CC(C)c1ccc([C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C(C)C)cc1 ZINC000599345681 1038271702 /nfs/dbraw/zinc/27/17/02/1038271702.db2.gz UXPDURNHOXHJOZ-OALUTQOASA-N 1 0 314.473 4.151 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1C#N ZINC000599426269 1038278524 /nfs/dbraw/zinc/27/85/24/1038278524.db2.gz ALOKCCGHKYJUNJ-FQEVSTJZSA-N 1 0 303.409 4.391 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000588930365 1038297258 /nfs/dbraw/zinc/29/72/58/1038297258.db2.gz PRCVJVJAEQMAGW-UHFFFAOYSA-N 1 0 301.821 4.308 20 30 DIEDRO C[C@@H]1C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](C)C1(F)F ZINC000599515882 1038300002 /nfs/dbraw/zinc/30/00/02/1038300002.db2.gz WXONPPQQULMWMI-ZIAGYGMSSA-N 1 0 306.400 4.211 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3ccc(C#N)cc3)cc2)C1 ZINC000603856038 1038302147 /nfs/dbraw/zinc/30/21/47/1038302147.db2.gz SUBMWXYHIMGEHG-QGZVFWFLSA-N 1 0 319.452 4.402 20 30 DIEDRO CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1F ZINC000603854098 1038303474 /nfs/dbraw/zinc/30/34/74/1038303474.db2.gz VTEXQPNUZRVEMR-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO COc1ccc(C(C)(C)[NH2+]CCCCC(C)(C)C#N)cc1F ZINC000599596450 1038318964 /nfs/dbraw/zinc/31/89/64/1038318964.db2.gz BQABKDLGWDUCLO-UHFFFAOYSA-N 1 0 306.425 4.379 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000535723371 1038320857 /nfs/dbraw/zinc/32/08/57/1038320857.db2.gz KVSSRANEIUNZQN-HOTGVXAUSA-N 1 0 302.462 4.425 20 30 DIEDRO CC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc(C)ccc1C ZINC000599645008 1038328409 /nfs/dbraw/zinc/32/84/09/1038328409.db2.gz LFWLZEHMEFWZIW-IBGZPJMESA-N 1 0 314.473 4.445 20 30 DIEDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000599677006 1038332595 /nfs/dbraw/zinc/33/25/95/1038332595.db2.gz GEIZEACPENTTFU-RDTXWAMCSA-N 1 0 324.399 4.256 20 30 DIEDRO C=CCN(Cc1ccc(OC)cc1)Cc1cccc(OC)c1F ZINC000669707596 1038338962 /nfs/dbraw/zinc/33/89/62/1038338962.db2.gz LEGJPIQNOBZSPS-UHFFFAOYSA-N 1 0 315.388 4.031 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000610812535 1038358195 /nfs/dbraw/zinc/35/81/95/1038358195.db2.gz KHNYDQYQLVGRNC-HKUYNNGSSA-N 1 0 312.363 4.262 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000277104131 1038368781 /nfs/dbraw/zinc/36/87/81/1038368781.db2.gz LRWHGBDRMOIZRE-WNYOCNMUSA-N 1 0 324.399 4.126 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000610830460 1038372567 /nfs/dbraw/zinc/37/25/67/1038372567.db2.gz VMSNCUQGDMAVCS-OWCLPIDISA-N 1 0 308.425 4.410 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829926 1038373158 /nfs/dbraw/zinc/37/31/58/1038373158.db2.gz SONBJXUUMVFYAN-KBPBESRZSA-N 1 0 309.369 4.187 20 30 DIEDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000610946801 1038403959 /nfs/dbraw/zinc/40/39/59/1038403959.db2.gz SPWDIRCTSIJVBG-UHFFFAOYSA-N 1 0 312.388 4.164 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCc2cccc(Cl)c2)c(F)c1 ZINC000610946872 1038404080 /nfs/dbraw/zinc/40/40/80/1038404080.db2.gz CZRIMPHWQLTTPL-UHFFFAOYSA-N 1 0 302.780 4.073 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1coc2ccccc12 ZINC000610958761 1038408293 /nfs/dbraw/zinc/40/82/93/1038408293.db2.gz LOIDMRVGFBQPOD-UHFFFAOYSA-N 1 0 322.433 4.327 20 30 DIEDRO CCCCC[N@H+](Cc1ccc(F)cc1)Cc1ccnc(C#N)c1 ZINC000610991280 1038419050 /nfs/dbraw/zinc/41/90/50/1038419050.db2.gz HRGGGFAKXXCUAB-UHFFFAOYSA-N 1 0 311.404 4.285 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520677 1038420141 /nfs/dbraw/zinc/42/01/41/1038420141.db2.gz BBHXJLUVVOMZNL-RTWAWAEBSA-N 1 0 320.436 4.158 20 30 DIEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610991381 1038420429 /nfs/dbraw/zinc/42/04/29/1038420429.db2.gz BOCCPUQWVSMRQO-FQEVSTJZSA-N 1 0 321.424 4.079 20 30 DIEDRO Cc1cccc([C@H]2CCCCC[N@@H+]2Cc2ccnc(C#N)c2)c1 ZINC000610993545 1038424523 /nfs/dbraw/zinc/42/45/23/1038424523.db2.gz XAEFXOSYEDWDIR-HXUWFJFHSA-N 1 0 305.425 4.379 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000236766016 1038436797 /nfs/dbraw/zinc/43/67/97/1038436797.db2.gz KYYLJQPHANWXOO-UHFFFAOYSA-N 1 0 323.436 4.255 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC001203156199 1038454173 /nfs/dbraw/zinc/45/41/73/1038454173.db2.gz SHKIVURIZZYCGO-NRFANRHFSA-N 1 0 320.436 4.415 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC001167499551 1038454243 /nfs/dbraw/zinc/45/42/43/1038454243.db2.gz KXKOMNKDZHAVJH-JXFKEZNVSA-N 1 0 320.436 4.192 20 30 DIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)c2ccc(C#N)cc2)C1 ZINC000538395939 1038469725 /nfs/dbraw/zinc/46/97/25/1038469725.db2.gz TYLJMIQSVRDAAC-IAGOWNOFSA-N 1 0 313.489 4.109 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(C)(C)O)c1ccc(C(F)(F)F)cc1 ZINC000342224950 1038485276 /nfs/dbraw/zinc/48/52/76/1038485276.db2.gz OJMHSQDBNGMTAI-AWEZNQCLSA-N 1 0 301.352 4.073 20 30 DIEDRO C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(OCC#N)cc1 ZINC000171768631 1038486180 /nfs/dbraw/zinc/48/61/80/1038486180.db2.gz GLHIVQYVDZSVCB-AWEZNQCLSA-N 1 0 306.365 4.186 20 30 DIEDRO C=CCCC[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000605150396 1038494173 /nfs/dbraw/zinc/49/41/73/1038494173.db2.gz UJROUSXMXLUCLR-KRWDZBQOSA-N 1 0 318.848 4.054 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000342289136 1038518467 /nfs/dbraw/zinc/51/84/67/1038518467.db2.gz VWZKHRGAGCWZRV-UHFFFAOYSA-N 1 0 319.880 4.360 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000342331952 1038536045 /nfs/dbraw/zinc/53/60/45/1038536045.db2.gz ONUABWLLKRKFKF-UHFFFAOYSA-N 1 0 319.408 4.140 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001167526177 1038547602 /nfs/dbraw/zinc/54/76/02/1038547602.db2.gz RQVJNQNIOFDNNN-UHFFFAOYSA-N 1 0 310.526 4.458 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC001167533610 1038553521 /nfs/dbraw/zinc/55/35/21/1038553521.db2.gz HWIWACOGTHZQEZ-KUHUBIRLSA-N 1 0 324.399 4.289 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC001167533609 1038553590 /nfs/dbraw/zinc/55/35/90/1038553590.db2.gz HWIWACOGTHZQEZ-IFXJQAMLSA-N 1 0 324.399 4.289 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)cc1C#N ZINC000934287846 1038578661 /nfs/dbraw/zinc/57/86/61/1038578661.db2.gz PKUZOYWRMKWNMM-IBGZPJMESA-N 1 0 307.441 4.447 20 30 DIEDRO CC[N@H+](Cc1ccc(COC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119859314 1038587345 /nfs/dbraw/zinc/58/73/45/1038587345.db2.gz WEQHJTNWRNHTJN-INIZCTEOSA-N 1 0 308.425 4.288 20 30 DIEDRO CC[N@H+](Cc1cnc2cc(C)ccn12)[C@@H](C)c1ccc(C#N)cc1 ZINC000119860516 1038587949 /nfs/dbraw/zinc/58/79/49/1038587949.db2.gz BVLVHYSSBIKTEB-INIZCTEOSA-N 1 0 318.424 4.098 20 30 DIEDRO COc1ccc(CN2CC(C)(C)[C@@H]2c2cccs2)cc1C#N ZINC000582140032 1038594865 /nfs/dbraw/zinc/59/48/65/1038594865.db2.gz PZCQNWFIQWCHMH-KRWDZBQOSA-N 1 0 312.438 4.211 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(N2CCCC2)c1 ZINC000540476369 1038622291 /nfs/dbraw/zinc/62/22/91/1038622291.db2.gz LZUFUSNCQJKVSB-OAHLLOKOSA-N 1 0 323.415 4.148 20 30 DIEDRO CSc1ccccc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033045 1038627538 /nfs/dbraw/zinc/62/75/38/1038627538.db2.gz FJSPYPCTMCECRH-UHFFFAOYSA-N 1 0 308.450 4.449 20 30 DIEDRO CCCCCCCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000172652455 1038632494 /nfs/dbraw/zinc/63/24/94/1038632494.db2.gz LIPDPFJIFJQFMU-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CCC[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000606897325 1038638606 /nfs/dbraw/zinc/63/86/06/1038638606.db2.gz PEVLIYKOAGVJIF-AWEZNQCLSA-N 1 0 310.235 4.171 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)C(C)C ZINC000172816948 1038645213 /nfs/dbraw/zinc/64/52/13/1038645213.db2.gz RKCROOGIDCOONQ-IBGZPJMESA-N 1 0 323.440 4.018 20 30 DIEDRO C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000159104838 1038690713 /nfs/dbraw/zinc/69/07/13/1038690713.db2.gz NNQCTWFIWZZMOD-RDBSUJKOSA-N 1 0 323.362 4.231 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(c3ccc(F)cc3F)CC1)CC2 ZINC000562088910 1038715526 /nfs/dbraw/zinc/71/55/26/1038715526.db2.gz LLRWOOLTRCZWIA-LJQANCHMSA-N 1 0 324.374 4.145 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]CCCOc1cccc(C#N)c1)C(C)C ZINC000128045937 1038749151 /nfs/dbraw/zinc/74/91/51/1038749151.db2.gz NDSSPKVQSMVYTO-IBGZPJMESA-N 1 0 323.440 4.018 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000657528438 1038762808 /nfs/dbraw/zinc/76/28/08/1038762808.db2.gz ANKRWUJJAPHOQU-RBUKOAKNSA-N 1 0 309.457 4.156 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(Br)s1 ZINC000657529631 1038766861 /nfs/dbraw/zinc/76/68/61/1038766861.db2.gz FYMJCWNNYVKJMQ-GHMZBOCLSA-N 1 0 315.280 4.130 20 30 DIEDRO COc1cc(C[N@H+](C)CC2CCC(C#N)CC2)ccc1SC ZINC000929414452 1038767580 /nfs/dbraw/zinc/76/75/80/1038767580.db2.gz ADZHSPPTICKGOG-UHFFFAOYSA-N 1 0 318.486 4.179 20 30 DIEDRO C=CC[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000063763520 1038838652 /nfs/dbraw/zinc/83/86/52/1038838652.db2.gz ATBXRHZLKNRBBV-UHFFFAOYSA-N 1 0 302.393 4.311 20 30 DIEDRO CC(C)[N@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000063750676 1038840169 /nfs/dbraw/zinc/84/01/69/1038840169.db2.gz DHSWQWQEHIMJDL-FXAWDEMLSA-N 1 0 314.473 4.364 20 30 DIEDRO C=CCCC1(C[NH2+]C2CCN(c3nccs3)CC2)CCCC1 ZINC000657566849 1038852811 /nfs/dbraw/zinc/85/28/11/1038852811.db2.gz BCHCELWPDWHUJU-UHFFFAOYSA-N 1 0 319.518 4.228 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000755224204 1038856621 /nfs/dbraw/zinc/85/66/21/1038856621.db2.gz YNHHEXHDYFSMEO-STQMWFEESA-N 1 0 314.351 4.188 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000342823024 1038877860 /nfs/dbraw/zinc/87/78/60/1038877860.db2.gz MHTAMTUFSMPFJN-UHFFFAOYSA-N 1 0 321.262 4.137 20 30 DIEDRO COc1ccc(C[NH2+]Cc2oc3ccc(F)cc3c2C)cc1C#N ZINC000174306929 1038926238 /nfs/dbraw/zinc/92/62/38/1038926238.db2.gz PBNNBXTUJYQECQ-UHFFFAOYSA-N 1 0 324.355 4.050 20 30 DIEDRO C=CCC1([NH2+]Cc2cc3ccccc3c(OC)c2)CCOCC1 ZINC000657634713 1038930635 /nfs/dbraw/zinc/93/06/35/1038930635.db2.gz OUIXOTWUVMFDCW-UHFFFAOYSA-N 1 0 311.425 4.063 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCOCC1 ZINC000657632956 1038930837 /nfs/dbraw/zinc/93/08/37/1038930837.db2.gz FESYEFBRTBYMFB-UHFFFAOYSA-N 1 0 317.326 4.059 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(Oc3ccccc3)o2)CCOCC1 ZINC000657633114 1038931965 /nfs/dbraw/zinc/93/19/65/1038931965.db2.gz HKGPGJZGNXFJEN-UHFFFAOYSA-N 1 0 313.397 4.287 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc(Cl)c2Cl)CCOCC1 ZINC000657633473 1038932323 /nfs/dbraw/zinc/93/23/23/1038932323.db2.gz UYFNKPHPWHTVNT-UHFFFAOYSA-N 1 0 300.229 4.208 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@H](C)C2)ccc1OC ZINC000174386696 1038935599 /nfs/dbraw/zinc/93/55/99/1038935599.db2.gz PARNWYAEJFKXAZ-BHYGNILZSA-N 1 0 316.445 4.044 20 30 DIEDRO CCCC[N@@H+]1Cc2cccc(N[C@H](C#N)Cc3ccccc3)c2C1 ZINC000608980669 1038950263 /nfs/dbraw/zinc/95/02/63/1038950263.db2.gz FIWSPMPEZOFFMV-IBGZPJMESA-N 1 0 319.452 4.349 20 30 DIEDRO Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1C#N ZINC001167622137 1038953264 /nfs/dbraw/zinc/95/32/64/1038953264.db2.gz VKKXERVUCRIVCF-PXNSSMCTSA-N 1 0 304.437 4.320 20 30 DIEDRO C=CCOCCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000657658256 1038961354 /nfs/dbraw/zinc/96/13/54/1038961354.db2.gz QMDPGROMDRJCEN-UHFFFAOYSA-N 1 0 322.861 4.146 20 30 DIEDRO CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(F)cc2C#N)s1 ZINC000122101584 1039025406 /nfs/dbraw/zinc/02/54/06/1039025406.db2.gz SXIZNVAJNJHATE-GFCCVEGCSA-N 1 0 317.433 4.218 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000534329302 1039027945 /nfs/dbraw/zinc/02/79/45/1039027945.db2.gz XTEBBPPTMOMSMP-ZDUSSCGKSA-N 1 0 310.844 4.170 20 30 DIEDRO N#Cc1ccccc1CNc1ccc(SC2CC[NH2+]CC2)cc1 ZINC001167637260 1039031042 /nfs/dbraw/zinc/03/10/42/1039031042.db2.gz OZLLWIKOMRQXBX-UHFFFAOYSA-N 1 0 323.465 4.014 20 30 DIEDRO Cc1ccc(C)n1C1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000442675786 1039112839 /nfs/dbraw/zinc/11/28/39/1039112839.db2.gz CGKXQRNCWPMZOT-KRWDZBQOSA-N 1 0 307.441 4.375 20 30 DIEDRO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000442688457 1039121804 /nfs/dbraw/zinc/12/18/04/1039121804.db2.gz LDVMCBONJWBHIH-OAHLLOKOSA-N 1 0 306.409 4.076 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)o1 ZINC000123727077 1039166903 /nfs/dbraw/zinc/16/69/03/1039166903.db2.gz CLBPVQQFUNGMKP-UHFFFAOYSA-N 1 0 305.381 4.012 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000278155112 1039224227 /nfs/dbraw/zinc/22/42/27/1039224227.db2.gz ANGRYFHKXJONGY-SCLBCKFNSA-N 1 0 309.369 4.268 20 30 DIEDRO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccco2)ccc1C#N ZINC000442889658 1039242340 /nfs/dbraw/zinc/24/23/40/1039242340.db2.gz LBQHXSGWXDORIR-KRWDZBQOSA-N 1 0 310.397 4.277 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2(c3cccc(OC)c3)CC2)c1 ZINC000150887648 1039266604 /nfs/dbraw/zinc/26/66/04/1039266604.db2.gz DHZIDNIBSZRIGS-UHFFFAOYSA-N 1 0 309.409 4.039 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000150882654 1039267053 /nfs/dbraw/zinc/26/70/53/1039267053.db2.gz BMKBXHVSXAHUMN-QGZVFWFLSA-N 1 0 302.462 4.309 20 30 DIEDRO N#CC1(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000539490854 1039270941 /nfs/dbraw/zinc/27/09/41/1039270941.db2.gz HIDFJSMGDSOSFN-SFHVURJKSA-N 1 0 312.363 4.142 20 30 DIEDRO CC(C)OCc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000539499995 1039272298 /nfs/dbraw/zinc/27/22/98/1039272298.db2.gz VQWTVKHJBWGVIB-MRXNPFEDSA-N 1 0 308.425 4.334 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)s1)Oc1ccccc1Cl ZINC000539513353 1039278894 /nfs/dbraw/zinc/27/88/94/1039278894.db2.gz BBIMTZGGXSWBED-LBPRGKRZSA-N 1 0 320.845 4.220 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1F ZINC000539602435 1039296703 /nfs/dbraw/zinc/29/67/03/1039296703.db2.gz IZBOAPJBEJNITE-NEPJUHHUSA-N 1 0 316.351 4.257 20 30 DIEDRO C[C@@H](NCc1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000539608989 1039297882 /nfs/dbraw/zinc/29/78/82/1039297882.db2.gz GXUWFFNATJEBPB-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO CC(C)[N@H+](CCC(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000539719996 1039324820 /nfs/dbraw/zinc/32/48/20/1039324820.db2.gz RRXFHJSMUVNCDR-UHFFFAOYSA-N 1 0 324.399 4.181 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cc(C#N)cs1)CC3 ZINC000539804627 1039341313 /nfs/dbraw/zinc/34/13/13/1039341313.db2.gz YKUOVSPKSUJSIB-AWEZNQCLSA-N 1 0 321.449 4.057 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000539818417 1039343422 /nfs/dbraw/zinc/34/34/22/1039343422.db2.gz YMQZJPCJRROIAF-KRWDZBQOSA-N 1 0 323.436 4.250 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000539822871 1039354106 /nfs/dbraw/zinc/35/41/06/1039354106.db2.gz VQCFZTUVZWUZCU-OCCSQVGLSA-N 1 0 300.402 4.137 20 30 DIEDRO CC[C@H]([NH2+][C@H](CCOC)c1ccc(C)o1)c1ccc(C#N)cc1 ZINC000278356263 1039407853 /nfs/dbraw/zinc/40/78/53/1039407853.db2.gz BBTARLQBUJKPER-ZWKOTPCHSA-N 1 0 312.413 4.278 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000278383207 1039431588 /nfs/dbraw/zinc/43/15/88/1039431588.db2.gz DFZXVPUVJNVZBJ-FGTMMUONSA-N 1 0 300.446 4.193 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000540155547 1039434662 /nfs/dbraw/zinc/43/46/62/1039434662.db2.gz AYXWWWXDEYDKII-SJLPKXTDSA-N 1 0 321.436 4.043 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1F ZINC000540338638 1039481233 /nfs/dbraw/zinc/48/12/33/1039481233.db2.gz SLNWGUZSGGCMTC-SFHVURJKSA-N 1 0 312.363 4.044 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1F ZINC000540350178 1039484683 /nfs/dbraw/zinc/48/46/83/1039484683.db2.gz LMRCGFMTXCSGDV-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000540399007 1039490301 /nfs/dbraw/zinc/49/03/01/1039490301.db2.gz YUTWQZLHIGKTEZ-CJNGLKHVSA-N 1 0 315.379 4.321 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000540456882 1039499515 /nfs/dbraw/zinc/49/95/15/1039499515.db2.gz QXRXJZQBLZMKPB-JJRVBVJISA-N 1 0 316.445 4.192 20 30 DIEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000317936841 1039508166 /nfs/dbraw/zinc/50/81/66/1039508166.db2.gz OCDWTEFENSZSQP-KFKAGJAMSA-N 1 0 300.446 4.454 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)c2)c1 ZINC000583946393 1039515743 /nfs/dbraw/zinc/51/57/43/1039515743.db2.gz YWYWTFASPMCGRZ-AERCQKQUSA-N 1 0 318.420 4.025 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(C#N)cc1 ZINC000278524732 1039521641 /nfs/dbraw/zinc/52/16/41/1039521641.db2.gz SRYBYFAYNZRFBV-LJQANCHMSA-N 1 0 305.425 4.073 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000540594784 1039523134 /nfs/dbraw/zinc/52/31/34/1039523134.db2.gz OFUPKFJPVPWWPY-MRXNPFEDSA-N 1 0 316.404 4.441 20 30 DIEDRO Cc1ccc(OCCCC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000540596553 1039523822 /nfs/dbraw/zinc/52/38/22/1039523822.db2.gz FNOGZCWYEMJGOG-QGZVFWFLSA-N 1 0 308.425 4.377 20 30 DIEDRO CCC[C@H](CC)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000540606890 1039527762 /nfs/dbraw/zinc/52/77/62/1039527762.db2.gz HZCFZSNXNXOONO-AOCRQIFASA-N 1 0 300.446 4.417 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C)Oc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000540609258 1039527917 /nfs/dbraw/zinc/52/79/17/1039527917.db2.gz PALOAMIPOJCZNI-UONOGXRCSA-N 1 0 314.816 4.330 20 30 DIEDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540708471 1039544345 /nfs/dbraw/zinc/54/43/45/1039544345.db2.gz WWKKIHTUZMLZFT-GJZGRUSLSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)Cc1cccs1 ZINC000540705146 1039544523 /nfs/dbraw/zinc/54/45/23/1039544523.db2.gz BFHNSQLFFAOWBA-CHWSQXEVSA-N 1 0 302.418 4.288 20 30 DIEDRO C[C@@H]([NH2+]CCOC1CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000540707042 1039544724 /nfs/dbraw/zinc/54/47/24/1039544724.db2.gz NIEPDDQHWISCOF-CQSZACIVSA-N 1 0 304.409 4.087 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540708441 1039545372 /nfs/dbraw/zinc/54/53/72/1039545372.db2.gz UURCOQOEQSNEFV-CQSZACIVSA-N 1 0 310.372 4.113 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1OC ZINC000540711414 1039551613 /nfs/dbraw/zinc/55/16/13/1039551613.db2.gz MKQLXPSPFXJDGC-CQSZACIVSA-N 1 0 304.434 4.074 20 30 DIEDRO CC1(C)C[N@H+](CCc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000595454442 1039583920 /nfs/dbraw/zinc/58/39/20/1039583920.db2.gz KTXGGWBIPRLMGU-HNNXBMFYSA-N 1 0 310.363 4.011 20 30 DIEDRO COc1cccc2c1CCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000584092285 1039598069 /nfs/dbraw/zinc/59/80/69/1039598069.db2.gz MFJHLZVPDPKRLH-IFXJQAMLSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000657830269 1039618162 /nfs/dbraw/zinc/61/81/62/1039618162.db2.gz GLENICQMCPNQRZ-PXNSSMCTSA-N 1 0 309.457 4.156 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000278644185 1039618296 /nfs/dbraw/zinc/61/82/96/1039618296.db2.gz HTJABMHEKRHDPK-QZTJIDSGSA-N 1 0 310.372 4.262 20 30 DIEDRO CSc1ccc(F)cc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000584142501 1039621159 /nfs/dbraw/zinc/62/11/59/1039621159.db2.gz CKDCZUQDIKNPFM-QGZVFWFLSA-N 1 0 312.413 4.196 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCCc3ccsc3)CC2)cc1 ZINC000541205197 1039634168 /nfs/dbraw/zinc/63/41/68/1039634168.db2.gz RUFDPNHWLLHRCN-UHFFFAOYSA-N 1 0 308.450 4.342 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000541326052 1039664425 /nfs/dbraw/zinc/66/44/25/1039664425.db2.gz SXBDZHFJVDGBKK-VBKZILBWSA-N 1 0 324.399 4.289 20 30 DIEDRO CCCO[C@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135208438 1039666463 /nfs/dbraw/zinc/66/64/63/1039666463.db2.gz BNJGQKJZTRZIPT-SFHVURJKSA-N 1 0 314.473 4.269 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000179088876 1039731987 /nfs/dbraw/zinc/73/19/87/1039731987.db2.gz MTOJDRBDPHOPFM-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000541736404 1039735076 /nfs/dbraw/zinc/73/50/76/1039735076.db2.gz INYMJLPUZWRRSN-LJQANCHMSA-N 1 0 302.462 4.059 20 30 DIEDRO C=CCSCC[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000541897571 1039756403 /nfs/dbraw/zinc/75/64/03/1039756403.db2.gz JZDDRVJBSAQJOG-INIZCTEOSA-N 1 0 303.471 4.332 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@@H]2C ZINC000541922198 1039758657 /nfs/dbraw/zinc/75/86/57/1039758657.db2.gz QPRZEUKVSCCBLI-LSDHHAIUSA-N 1 0 306.409 4.075 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@@H]2C ZINC000541922197 1039762808 /nfs/dbraw/zinc/76/28/08/1039762808.db2.gz QPRZEUKVSCCBLI-HUUCEWRRSA-N 1 0 306.409 4.075 20 30 DIEDRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271719555 1039781634 /nfs/dbraw/zinc/78/16/34/1039781634.db2.gz XLRSVTLPZNBJQL-AWEZNQCLSA-N 1 0 322.408 4.010 20 30 DIEDRO CCc1ccc([C@@H]([NH2+]CC(C)(C)CC#N)c2cccnc2)cc1 ZINC000926566811 1039833176 /nfs/dbraw/zinc/83/31/76/1039833176.db2.gz BBGPTXALGGDOSL-LJQANCHMSA-N 1 0 307.441 4.263 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OC(F)F)cc1 ZINC000491357144 1039838255 /nfs/dbraw/zinc/83/82/55/1039838255.db2.gz WHNKSNYBASGAEB-UHFFFAOYSA-N 1 0 307.340 4.112 20 30 DIEDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000030150819 1039871499 /nfs/dbraw/zinc/87/14/99/1039871499.db2.gz CEIOPVPJNFVHAF-IFXJQAMLSA-N 1 0 306.409 4.439 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000271929038 1039899866 /nfs/dbraw/zinc/89/98/66/1039899866.db2.gz HIZXIKZUXVPHIW-PNHOKKKMSA-N 1 0 324.399 4.268 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271923957 1039901941 /nfs/dbraw/zinc/90/19/41/1039901941.db2.gz IPTSXTRDCJBKRO-VXGBXAGGSA-N 1 0 316.351 4.257 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1F ZINC000271937812 1039907280 /nfs/dbraw/zinc/90/72/80/1039907280.db2.gz KSVGQJCZMWOHKS-LBPRGKRZSA-N 1 0 316.351 4.086 20 30 DIEDRO CC(C)c1nc(CC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000271955851 1039921043 /nfs/dbraw/zinc/92/10/43/1039921043.db2.gz PWLKQWUTWGPDRA-LBPRGKRZSA-N 1 0 317.433 4.171 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(F)c(C#N)c1 ZINC000492421986 1039963243 /nfs/dbraw/zinc/96/32/43/1039963243.db2.gz JJRSGZNSFJSGRH-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657879622 1039987925 /nfs/dbraw/zinc/98/79/25/1039987925.db2.gz LWNUVZMBIDYGNW-ZDUSSCGKSA-N 1 0 318.367 4.435 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000492635141 1039988923 /nfs/dbraw/zinc/98/89/23/1039988923.db2.gz YFILQPWWVHXGHH-CZUORRHYSA-N 1 0 319.246 4.085 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000492635138 1039990139 /nfs/dbraw/zinc/99/01/39/1039990139.db2.gz YFILQPWWVHXGHH-BBRMVZONSA-N 1 0 319.246 4.085 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccccc2OC2CCCC2)ccc1C#N ZINC000443985194 1039997268 /nfs/dbraw/zinc/99/72/68/1039997268.db2.gz YUEQOEXFDMGZIF-UHFFFAOYSA-N 1 0 320.436 4.478 20 30 DIEDRO Cc1cc(CNCC(C)(C)[NH2+][C@H](C)c2ccccc2)ccc1C#N ZINC000443992684 1040006563 /nfs/dbraw/zinc/00/65/63/1040006563.db2.gz XOOUDGJEMUGTJL-QGZVFWFLSA-N 1 0 321.468 4.086 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H](C)c2ccc(F)cc2F)ccc1C#N ZINC000443998107 1040008871 /nfs/dbraw/zinc/00/88/71/1040008871.db2.gz ZYAUJGSZSKSVMB-ZDUSSCGKSA-N 1 0 300.352 4.038 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](CC)c1ccccc1 ZINC000685442381 1040048879 /nfs/dbraw/zinc/04/88/79/1040048879.db2.gz YKUDOOAQCDYZAU-QGZVFWFLSA-N 1 0 313.441 4.344 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000657905435 1040110317 /nfs/dbraw/zinc/11/03/17/1040110317.db2.gz KMDOBEYAUOARNC-AFYVEPGGSA-N 1 0 301.474 4.266 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000657924181 1040179201 /nfs/dbraw/zinc/17/92/01/1040179201.db2.gz QZRMXCRXAFNXIE-RDHHWEPZSA-N 1 0 303.450 4.129 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000657929464 1040183244 /nfs/dbraw/zinc/18/32/44/1040183244.db2.gz HSZFMJYRWDFNOS-NVXWUHKLSA-N 1 0 311.429 4.004 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000657989985 1040258660 /nfs/dbraw/zinc/25/86/60/1040258660.db2.gz QHKGBDZNZRGRFC-NXHRZFHOSA-N 1 0 301.478 4.046 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000658059576 1040283200 /nfs/dbraw/zinc/28/32/00/1040283200.db2.gz JILMZMLKBCEVKP-WMZOPIPTSA-N 1 0 320.521 4.138 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000658060952 1040283602 /nfs/dbraw/zinc/28/36/02/1040283602.db2.gz QZTJLMJIYOSCEI-TVFCKZIOSA-N 1 0 301.478 4.171 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000658060949 1040284250 /nfs/dbraw/zinc/28/42/50/1040284250.db2.gz QZTJLMJIYOSCEI-BDXSIMOUSA-N 1 0 301.478 4.171 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000658062348 1040286899 /nfs/dbraw/zinc/28/68/99/1040286899.db2.gz YNZIUUHYNBXKJI-NUEKZKHPSA-N 1 0 322.518 4.426 20 30 DIEDRO C=CCCC1(C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CCCC1 ZINC000658098316 1040302264 /nfs/dbraw/zinc/30/22/64/1040302264.db2.gz NHTHGQLVTQUATD-QGZVFWFLSA-N 1 0 310.445 4.010 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000612077602 1040327959 /nfs/dbraw/zinc/32/79/59/1040327959.db2.gz ARLHHTIQNKHKKI-IBGZPJMESA-N 1 0 308.450 4.043 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000658205026 1040355219 /nfs/dbraw/zinc/35/52/19/1040355219.db2.gz DKEAQSCTFPIKCN-CQSZACIVSA-N 1 0 302.443 4.053 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000658209621 1040357859 /nfs/dbraw/zinc/35/78/59/1040357859.db2.gz IHOWHDLXGVADFQ-HXUWFJFHSA-N 1 0 322.408 4.100 20 30 DIEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000658334506 1040428506 /nfs/dbraw/zinc/42/85/06/1040428506.db2.gz KVJSMGMAZKDAME-TXPKVOOTSA-N 1 0 311.425 4.024 20 30 DIEDRO N#Cc1cc(F)ccc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310177089 1040451521 /nfs/dbraw/zinc/45/15/21/1040451521.db2.gz MOCTTWVIBDMNPX-KRWDZBQOSA-N 1 0 323.415 4.021 20 30 DIEDRO N#Cc1ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000310408137 1040495533 /nfs/dbraw/zinc/49/55/33/1040495533.db2.gz WCWDWRAAHWHHRY-GOSISDBHSA-N 1 0 323.415 4.021 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000091963307 1040504116 /nfs/dbraw/zinc/50/41/16/1040504116.db2.gz KXTKTXSSAVNODN-IRXDYDNUSA-N 1 0 318.461 4.278 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000193549200 1040508424 /nfs/dbraw/zinc/50/84/24/1040508424.db2.gz PDERKOHGWWYLLR-GFCCVEGCSA-N 1 0 317.399 4.459 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278789629 1040553496 /nfs/dbraw/zinc/55/34/96/1040553496.db2.gz QHJDYEKTQTZHHZ-XPGWFJOJSA-N 1 0 308.425 4.111 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cccn1CCC(C)C ZINC000236640817 1040624684 /nfs/dbraw/zinc/62/46/84/1040624684.db2.gz IKQIADJEQBNTBP-UHFFFAOYSA-N 1 0 312.457 4.389 20 30 DIEDRO CCCCOc1ccc(CC[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000236679017 1040637331 /nfs/dbraw/zinc/63/73/31/1040637331.db2.gz ZYGAKORFTNTMJR-UHFFFAOYSA-N 1 0 314.454 4.131 20 30 DIEDRO C[C@H](CC#N)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000612584624 1040647724 /nfs/dbraw/zinc/64/77/24/1040647724.db2.gz UEEQJRPHDUDFFN-MRVPVSSYSA-N 1 0 310.241 4.116 20 30 DIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1 ZINC000177745058 1040766717 /nfs/dbraw/zinc/76/67/17/1040766717.db2.gz JSAXHVNVQNXHDD-NHCUHLMSSA-N 1 0 320.436 4.113 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000661378324 1040773644 /nfs/dbraw/zinc/77/36/44/1040773644.db2.gz CSTBVDODRSYBAY-GOSISDBHSA-N 1 0 314.473 4.310 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2cccc3ccccc32)c(C#N)c1 ZINC001137703866 1040779096 /nfs/dbraw/zinc/77/90/96/1040779096.db2.gz XCBAYNBRDKCCAZ-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000580722409 1040829284 /nfs/dbraw/zinc/82/92/84/1040829284.db2.gz KXOFHTRYWQQYGB-UHFFFAOYSA-N 1 0 307.441 4.276 20 30 DIEDRO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000066420945 1040833713 /nfs/dbraw/zinc/83/37/13/1040833713.db2.gz NRAZFBCTSNIMNX-ZDUSSCGKSA-N 1 0 316.351 4.353 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000414101165 1040859685 /nfs/dbraw/zinc/85/96/85/1040859685.db2.gz STERUKVBZIQJSN-OAHLLOKOSA-N 1 0 306.409 4.215 20 30 DIEDRO CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C)c1ccc(C#N)cc1 ZINC000581706249 1040869839 /nfs/dbraw/zinc/86/98/39/1040869839.db2.gz RBPMXWRRKQBICN-OKZBNKHCSA-N 1 0 300.446 4.191 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000178089524 1040908870 /nfs/dbraw/zinc/90/88/70/1040908870.db2.gz HTFMANOIBNAYQV-HNNXBMFYSA-N 1 0 309.409 4.037 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(OC(F)(F)F)c1 ZINC000414159315 1040934515 /nfs/dbraw/zinc/93/45/15/1040934515.db2.gz BCBHKGHCWHRPJN-NSHDSACASA-N 1 0 300.324 4.176 20 30 DIEDRO Cc1cc([C@@H]([NH2+]CC(C)(C)CC#N)c2cccnc2)ccc1F ZINC000414160155 1040936229 /nfs/dbraw/zinc/93/62/29/1040936229.db2.gz CQIMAVRJKARIGV-GOSISDBHSA-N 1 0 311.404 4.148 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)CCCc1cccnc1)c1ccc(C#N)cc1 ZINC000414161170 1040938040 /nfs/dbraw/zinc/93/80/40/1040938040.db2.gz ZVPCPLJPTQWLJZ-OXQOHEQNSA-N 1 0 307.441 4.405 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000414162568 1040939918 /nfs/dbraw/zinc/93/99/18/1040939918.db2.gz HJSXDWQETDCCPG-CQSZACIVSA-N 1 0 311.351 4.007 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000414162564 1040940129 /nfs/dbraw/zinc/94/01/29/1040940129.db2.gz HJSXDWQETDCCPG-AWEZNQCLSA-N 1 0 311.351 4.007 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)c(Br)c1 ZINC000414174506 1040954457 /nfs/dbraw/zinc/95/44/57/1040954457.db2.gz YCBQVTJNAZRCCC-JTQLQIEISA-N 1 0 313.214 4.179 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC(C(F)F)CC1 ZINC000414182590 1040965617 /nfs/dbraw/zinc/96/56/17/1040965617.db2.gz MYMSAEQXPPPWTA-PGEKIEPBSA-N 1 0 304.384 4.349 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cccc(C#N)c3F)C2)c1 ZINC000452019238 1041024600 /nfs/dbraw/zinc/02/46/00/1041024600.db2.gz PPIFSBGWTOSVRL-IYARVYRRSA-N 1 0 324.399 4.084 20 30 DIEDRO Cc1ccccc1C(C)(C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001170560712 1041031907 /nfs/dbraw/zinc/03/19/07/1041031907.db2.gz YEASADJTRNYEHF-UHFFFAOYSA-N 1 0 308.425 4.161 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000393761274 1041064250 /nfs/dbraw/zinc/06/42/50/1041064250.db2.gz LRNRFNULIIWQRE-ZDUSSCGKSA-N 1 0 319.246 4.442 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(OC(F)(F)F)c1 ZINC001143469386 1041087772 /nfs/dbraw/zinc/08/77/72/1041087772.db2.gz UUAHMEFNTCXXQO-UHFFFAOYSA-N 1 0 312.335 4.019 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000414309689 1041105083 /nfs/dbraw/zinc/10/50/83/1041105083.db2.gz VKFHGWMIEZQHOW-KKSFZXQISA-N 1 0 322.452 4.483 20 30 DIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000414339718 1041145185 /nfs/dbraw/zinc/14/51/85/1041145185.db2.gz LWYMHQQAZLJOPR-WNYOCNMUSA-N 1 0 306.409 4.021 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1 ZINC000180508459 1041164508 /nfs/dbraw/zinc/16/45/08/1041164508.db2.gz ZKXDESMYFDQALF-CYBMUJFWSA-N 1 0 311.878 4.364 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@H](C)c1ccccc1 ZINC000180542168 1041167214 /nfs/dbraw/zinc/16/72/14/1041167214.db2.gz ONENZOPMQIWUPU-BBWFWOEESA-N 1 0 308.425 4.432 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1Cl ZINC000180554649 1041169571 /nfs/dbraw/zinc/16/95/71/1041169571.db2.gz FOBXOFGVMJDPAB-LBPRGKRZSA-N 1 0 318.779 4.232 20 30 DIEDRO C#Cc1ccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000809559309 1041192271 /nfs/dbraw/zinc/19/22/71/1041192271.db2.gz MPRKICAKGNVPED-YADHBBJMSA-N 1 0 319.448 4.268 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000809594484 1041196335 /nfs/dbraw/zinc/19/63/35/1041196335.db2.gz XNXXDDWIKJFEJH-UXHICEINSA-N 1 0 323.436 4.129 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000809603119 1041202132 /nfs/dbraw/zinc/20/21/32/1041202132.db2.gz AISWZHJMJRKADE-ZDUSSCGKSA-N 1 0 301.336 4.120 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)cc1 ZINC000809626107 1041207120 /nfs/dbraw/zinc/20/71/20/1041207120.db2.gz BLJQBFNVOCLMCX-OAHLLOKOSA-N 1 0 323.411 4.447 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809641361 1041209801 /nfs/dbraw/zinc/20/98/01/1041209801.db2.gz YJRLDBZSHWRVDW-FQEVSTJZSA-N 1 0 319.452 4.031 20 30 DIEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000809686176 1041223032 /nfs/dbraw/zinc/22/30/32/1041223032.db2.gz XXTZZZJBSLXCQO-NSHDSACASA-N 1 0 318.760 4.010 20 30 DIEDRO C#Cc1ccc(C[N@@H+](CC(=C)C)Cc2cnn(C(C)C)c2)cc1 ZINC000809705249 1041225984 /nfs/dbraw/zinc/22/59/84/1041225984.db2.gz PVVQUDGPPFLQJF-UHFFFAOYSA-N 1 0 307.441 4.024 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C)c1O ZINC000809705371 1041228909 /nfs/dbraw/zinc/22/89/09/1041228909.db2.gz RXEGVEAOKKZEMM-UHFFFAOYSA-N 1 0 313.445 4.056 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000809718429 1041233262 /nfs/dbraw/zinc/23/32/62/1041233262.db2.gz UHDOJUKDCDNARX-UHFFFAOYSA-N 1 0 318.420 4.005 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C)C(C)(C)C ZINC000809781208 1041254289 /nfs/dbraw/zinc/25/42/89/1041254289.db2.gz JFPPOODMUAFYBI-MAUKXSAKSA-N 1 0 314.473 4.165 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)cc1 ZINC000809783500 1041255314 /nfs/dbraw/zinc/25/53/14/1041255314.db2.gz FMESFRHMJCWLLJ-UHFFFAOYSA-N 1 0 322.452 4.168 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000809793779 1041259651 /nfs/dbraw/zinc/25/96/51/1041259651.db2.gz NIIORKFLKCMXHK-AWEZNQCLSA-N 1 0 308.432 4.352 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181304065 1041262097 /nfs/dbraw/zinc/26/20/97/1041262097.db2.gz ZVVQSNFVUUFCAL-OAHLLOKOSA-N 1 0 304.434 4.264 20 30 DIEDRO C=CCCCCCCC[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000810160478 1041328425 /nfs/dbraw/zinc/32/84/25/1041328425.db2.gz IMVLGYYQAKQKTI-UHFFFAOYSA-N 1 0 306.479 4.024 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H](CC)CCCCCC)CC2 ZINC001170600271 1041333624 /nfs/dbraw/zinc/33/36/24/1041333624.db2.gz RUSPQQSWGLXBKG-GOSISDBHSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCCCCCCC[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000810243034 1041355112 /nfs/dbraw/zinc/35/51/12/1041355112.db2.gz KSXAYNLOWFFPGM-HNNXBMFYSA-N 1 0 316.445 4.195 20 30 DIEDRO C=C(C[NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1 ZINC000892712109 1041369363 /nfs/dbraw/zinc/36/93/63/1041369363.db2.gz OQUXKJCYYGZTAB-UHFFFAOYSA-N 1 0 312.360 4.051 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000924599503 1041382000 /nfs/dbraw/zinc/38/20/00/1041382000.db2.gz HLRCWWYTOQNDIB-UONOGXRCSA-N 1 0 313.445 4.014 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ncc(Br)s1 ZINC000309582711 1041391352 /nfs/dbraw/zinc/39/13/52/1041391352.db2.gz QVFGHAASGNQPQQ-SNVBAGLBSA-N 1 0 303.269 4.130 20 30 DIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cccc(C#N)c1 ZINC000747629142 1041436085 /nfs/dbraw/zinc/43/60/85/1041436085.db2.gz DTQGZRVQMCQIIT-UHFFFAOYSA-N 1 0 320.440 4.114 20 30 DIEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728711742 1041478131 /nfs/dbraw/zinc/47/81/31/1041478131.db2.gz HWQZGOCHUFTQRR-YWZLYKJASA-N 1 0 306.409 4.063 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000728711786 1041478157 /nfs/dbraw/zinc/47/81/57/1041478157.db2.gz JKSSYFHRANQPIG-JSGCOSHPSA-N 1 0 300.427 4.198 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1OC ZINC000728712049 1041478396 /nfs/dbraw/zinc/47/83/96/1041478396.db2.gz WQHSPGWUNXCKEG-DNVCBOLYSA-N 1 0 324.424 4.227 20 30 DIEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728711739 1041479291 /nfs/dbraw/zinc/47/92/91/1041479291.db2.gz HWQZGOCHUFTQRR-QRWLVFNGSA-N 1 0 306.409 4.063 20 30 DIEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728715326 1041482173 /nfs/dbraw/zinc/48/21/73/1041482173.db2.gz WZEOCEQLLSDMFA-LZQZEXGQSA-N 1 0 300.446 4.282 20 30 DIEDRO C=CC[C@H]1N(C(=O)Nc2ccc(C[NH2+]C)cc2)CCCC1(C)C ZINC000416020882 1041517771 /nfs/dbraw/zinc/51/77/71/1041517771.db2.gz YBINJNAKSQNJJL-QGZVFWFLSA-N 1 0 315.461 4.005 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccn(C(C)C)n1)c1ccc(Cl)cc1 ZINC000811516833 1041530128 /nfs/dbraw/zinc/53/01/28/1041530128.db2.gz VVOZFGHAURDATQ-KSSFIOAISA-N 1 0 315.848 4.013 20 30 DIEDRO CCOC1CC([NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000541258464 1041549891 /nfs/dbraw/zinc/54/98/91/1041549891.db2.gz QWWGQXLNWWQFKG-VUZGARFFSA-N 1 0 320.436 4.443 20 30 DIEDRO Cc1cc(C)cc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181796551 1041556866 /nfs/dbraw/zinc/55/68/66/1041556866.db2.gz GDBDVJTURWOSOL-QGZVFWFLSA-N 1 0 308.425 4.099 20 30 DIEDRO Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181828317 1041558873 /nfs/dbraw/zinc/55/88/73/1041558873.db2.gz BUJZILQWXJKFOA-SJORKVTESA-N 1 0 324.424 4.016 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001125880855 1041572994 /nfs/dbraw/zinc/57/29/94/1041572994.db2.gz NTMJFWCOOUXQSJ-KSZLIROESA-N 1 0 310.526 4.362 20 30 DIEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(OC)c1OC ZINC000601279571 1041590070 /nfs/dbraw/zinc/59/00/70/1041590070.db2.gz HFDQVAYUMFDQIH-DQPZFDDXSA-N 1 0 316.445 4.074 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c1Cl ZINC001141114076 1041594973 /nfs/dbraw/zinc/59/49/73/1041594973.db2.gz CYNLLOOIVURTFM-GFCCVEGCSA-N 1 0 323.893 4.258 20 30 DIEDRO C=CCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000812494346 1041626652 /nfs/dbraw/zinc/62/66/52/1041626652.db2.gz JRBFKNILDWWHSX-ROUUACIJSA-N 1 0 323.525 4.027 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cc1 ZINC001170680779 1041631749 /nfs/dbraw/zinc/63/17/49/1041631749.db2.gz JEUNHTQYXDTWJI-IBGZPJMESA-N 1 0 308.400 4.249 20 30 DIEDRO N#Cc1csc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000584687749 1041642616 /nfs/dbraw/zinc/64/26/16/1041642616.db2.gz LUECFJVYIXMHSE-IPMKNSEASA-N 1 0 308.450 4.388 20 30 DIEDRO CC(C)COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000236692961 1041647318 /nfs/dbraw/zinc/64/73/18/1041647318.db2.gz IVZJXLKXHJEBMG-INIZCTEOSA-N 1 0 308.425 4.444 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000812857356 1041653151 /nfs/dbraw/zinc/65/31/51/1041653151.db2.gz MLJWICSELOZARG-JXFKEZNVSA-N 1 0 317.473 4.185 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000812840298 1041655254 /nfs/dbraw/zinc/65/52/54/1041655254.db2.gz ABRATKQLKSSAEW-KRWDZBQOSA-N 1 0 316.489 4.389 20 30 DIEDRO CC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849050 1041656524 /nfs/dbraw/zinc/65/65/24/1041656524.db2.gz FWBNNIWGGLXYIW-WMZOPIPTSA-N 1 0 302.462 4.150 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812900607 1041660716 /nfs/dbraw/zinc/66/07/16/1041660716.db2.gz KFWIRODICQEOFP-MRXNPFEDSA-N 1 0 317.477 4.227 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cn1 ZINC000417374642 1041664131 /nfs/dbraw/zinc/66/41/31/1041664131.db2.gz YHPADSZTBJBORL-KPZWWZAWSA-N 1 0 311.816 4.335 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000417367745 1041665382 /nfs/dbraw/zinc/66/53/82/1041665382.db2.gz PGMAQQJGXANJCH-LEWJYISDSA-N 1 0 318.420 4.308 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000417370759 1041666430 /nfs/dbraw/zinc/66/64/30/1041666430.db2.gz STNBHPINGBTKNL-VQTJNVASSA-N 1 0 318.420 4.308 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000417373699 1041666671 /nfs/dbraw/zinc/66/66/71/1041666671.db2.gz XPGCCWQNJPZTBV-MGPUTAFESA-N 1 0 319.452 4.352 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1O ZINC000417375916 1041667620 /nfs/dbraw/zinc/66/76/20/1041667620.db2.gz ZXJKPIJDOOIGGZ-SCLBCKFNSA-N 1 0 322.408 4.001 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417393392 1041667782 /nfs/dbraw/zinc/66/77/82/1041667782.db2.gz UGPYJAKWCLVZSU-ORAYPTAESA-N 1 0 321.380 4.195 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000747870627 1041727888 /nfs/dbraw/zinc/72/78/88/1041727888.db2.gz DQQDLOBDQNGSGI-CVEARBPZSA-N 1 0 314.256 4.361 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000418136907 1041729793 /nfs/dbraw/zinc/72/97/93/1041729793.db2.gz BGBCDCUAGFRZNQ-LJQANCHMSA-N 1 0 319.383 4.346 20 30 DIEDRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1(C#N)CCC1 ZINC000418143272 1041731298 /nfs/dbraw/zinc/73/12/98/1041731298.db2.gz PAGSGCRNCHYISI-CYBMUJFWSA-N 1 0 310.363 4.310 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000813880218 1041742384 /nfs/dbraw/zinc/74/23/84/1041742384.db2.gz CUIZQBJEZWMLMC-MRXNPFEDSA-N 1 0 312.457 4.153 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000709386418 1041754454 /nfs/dbraw/zinc/75/44/54/1041754454.db2.gz WAVBTNNJKNPDHI-BIVLZKPYSA-N 1 0 322.493 4.107 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CCCCC2(C#N)CCC2)c(OC)c1 ZINC000931179856 1041755368 /nfs/dbraw/zinc/75/53/68/1041755368.db2.gz XVJDRWBZVSBALP-HNNXBMFYSA-N 1 0 316.445 4.219 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C/C=C\c2ccc(F)cc2)c1 ZINC000747917065 1041791377 /nfs/dbraw/zinc/79/13/77/1041791377.db2.gz VYKNRCFYPPKJTA-GJEJWFRCSA-N 1 0 324.399 4.310 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+]Cc1cc(C#N)ccc1F ZINC000814294507 1041801531 /nfs/dbraw/zinc/80/15/31/1041801531.db2.gz RHPABMLTZACEDS-OQLLNIDSSA-N 1 0 324.399 4.037 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC000814300183 1041807550 /nfs/dbraw/zinc/80/75/50/1041807550.db2.gz JOGQJNFDCUKNRB-FNHZYXHNSA-N 1 0 324.399 4.152 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC000814299852 1041807655 /nfs/dbraw/zinc/80/76/55/1041807655.db2.gz DJLILWOIMHLBAP-KESTWPANSA-N 1 0 323.411 4.264 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)nc1 ZINC000566806044 1041807703 /nfs/dbraw/zinc/80/77/03/1041807703.db2.gz WNAVKLLPXMWHMW-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000814304878 1041808672 /nfs/dbraw/zinc/80/86/72/1041808672.db2.gz UKXHREXAWQWYMM-OAQYLSRUSA-N 1 0 318.420 4.223 20 30 DIEDRO C=CCCCCCCN1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001222642573 1041839558 /nfs/dbraw/zinc/83/95/58/1041839558.db2.gz LBGNFBOCCKVUJU-OAHLLOKOSA-N 1 0 318.427 4.129 20 30 DIEDRO CC(N=Nc1nccc2sccc21)c1cccc(C[NH+](C)C)c1 ZINC000814809057 1041873211 /nfs/dbraw/zinc/87/32/11/1041873211.db2.gz NVINEOXCEZMNCV-UHFFFAOYSA-N 1 0 324.453 4.194 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1 ZINC000093117552 1041876796 /nfs/dbraw/zinc/87/67/96/1041876796.db2.gz AXRALPWBJNZOQT-LBPRGKRZSA-N 1 0 305.830 4.264 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000661118673 1041888117 /nfs/dbraw/zinc/88/81/17/1041888117.db2.gz JKBFKDOXYZOVDY-HOCLYGCPSA-N 1 0 315.417 4.171 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cccs2)no1 ZINC000661119526 1041890193 /nfs/dbraw/zinc/89/01/93/1041890193.db2.gz UYKCNYZIHJRYCV-OLZOCXBDSA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cccs2)no1 ZINC000661119525 1041890410 /nfs/dbraw/zinc/89/04/10/1041890410.db2.gz UYKCNYZIHJRYCV-CHWSQXEVSA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N(CC)CC)cc2)C1 ZINC000651749949 1041902008 /nfs/dbraw/zinc/90/20/08/1041902008.db2.gz PTSXSFNGFNLTNQ-LPHOPBHVSA-N 1 0 314.473 4.003 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000651744973 1041902378 /nfs/dbraw/zinc/90/23/78/1041902378.db2.gz WGYFFDVQNAKEPU-UXLLHSPISA-N 1 0 311.429 4.175 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000651750298 1041903119 /nfs/dbraw/zinc/90/31/19/1041903119.db2.gz CCARNMYNLNPENC-YJBOKZPZSA-N 1 0 315.461 4.051 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001134838121 1041907815 /nfs/dbraw/zinc/90/78/15/1041907815.db2.gz MWLCBZYDLGIXNA-IBGZPJMESA-N 1 0 320.436 4.180 20 30 DIEDRO C[C@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000815082039 1041911221 /nfs/dbraw/zinc/91/12/21/1041911221.db2.gz XVQHFRSPUKHXET-BTYIYWSLSA-N 1 0 316.404 4.096 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651793137 1041915011 /nfs/dbraw/zinc/91/50/11/1041915011.db2.gz ZXOKFPYYBBODFB-SCWSEQNSSA-N 1 0 322.452 4.380 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccsc2C)c1 ZINC000815126749 1041917097 /nfs/dbraw/zinc/91/70/97/1041917097.db2.gz QFZKNCKJSFQQBG-MRXNPFEDSA-N 1 0 300.427 4.027 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000815142338 1041924581 /nfs/dbraw/zinc/92/45/81/1041924581.db2.gz QJLORTWQYSZFLU-UHFFFAOYSA-N 1 0 315.363 4.100 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000815141850 1041924927 /nfs/dbraw/zinc/92/49/27/1041924927.db2.gz IYPMGOIBYVAFAI-UHFFFAOYSA-N 1 0 324.509 4.262 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651823181 1041925422 /nfs/dbraw/zinc/92/54/22/1041925422.db2.gz ZGPUAFOELOTRER-YSGRDPCXSA-N 1 0 308.425 4.133 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651823180 1041925670 /nfs/dbraw/zinc/92/56/70/1041925670.db2.gz ZGPUAFOELOTRER-BEVDRBHNSA-N 1 0 308.425 4.133 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000661378248 1041929182 /nfs/dbraw/zinc/92/91/82/1041929182.db2.gz BDCUYNFHFVPLON-KRWDZBQOSA-N 1 0 314.473 4.345 20 30 DIEDRO C[NH+](C)Cc1cccc(NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594495239 1041932186 /nfs/dbraw/zinc/93/21/86/1041932186.db2.gz OOYSLZYFIGBAJB-UHFFFAOYSA-N 1 0 307.441 4.161 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815617336 1041974925 /nfs/dbraw/zinc/97/49/25/1041974925.db2.gz LAJGMBPRYFLNCT-OAHLLOKOSA-N 1 0 302.418 4.040 20 30 DIEDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000815635569 1041981572 /nfs/dbraw/zinc/98/15/72/1041981572.db2.gz FRCGKXSWDJRLMV-DNVCBOLYSA-N 1 0 324.424 4.487 20 30 DIEDRO C[C@@H](N[C@@H](C)c1nc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000093401121 1041982629 /nfs/dbraw/zinc/98/26/29/1041982629.db2.gz MNMXHYHKHWKJDH-OLZOCXBDSA-N 1 0 311.454 4.305 20 30 DIEDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597111247 1042001061 /nfs/dbraw/zinc/00/10/61/1042001061.db2.gz XLRFTNGTKKQDBT-OAHLLOKOSA-N 1 0 322.374 4.405 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(Cl)cc2C)CCCC1 ZINC000661862934 1042008111 /nfs/dbraw/zinc/00/81/11/1042008111.db2.gz JNEFVRSCEAVENO-UHFFFAOYSA-N 1 0 306.837 4.065 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816456844 1042054276 /nfs/dbraw/zinc/05/42/76/1042054276.db2.gz OVUCRJAGOGRILP-YQVWRLOYSA-N 1 0 315.457 4.043 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000662078898 1042057515 /nfs/dbraw/zinc/05/75/15/1042057515.db2.gz DOZRUPFBOBXLAK-GASCZTMLSA-N 1 0 315.804 4.073 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000662080056 1042057578 /nfs/dbraw/zinc/05/75/78/1042057578.db2.gz MNTLCLQGQGNXTF-BMFZPTHFSA-N 1 0 318.848 4.158 20 30 DIEDRO COC[C@@H](C)[N@H+](CCCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000599681172 1042077003 /nfs/dbraw/zinc/07/70/03/1042077003.db2.gz DCKDQRMZMQEKNO-VQIMIIECSA-N 1 0 314.473 4.341 20 30 DIEDRO CCCCCCCCC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001126218591 1042101088 /nfs/dbraw/zinc/10/10/88/1042101088.db2.gz NUBWMTXEAMJGBS-UHFFFAOYSA-N 1 0 322.537 4.460 20 30 DIEDRO CC(C)(C)C(C)(C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000568081764 1042101609 /nfs/dbraw/zinc/10/16/09/1042101609.db2.gz DAMYSLIITGCYLX-UHFFFAOYSA-N 1 0 313.489 4.189 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCC2(O)CCC2)cc1 ZINC000817587124 1042118676 /nfs/dbraw/zinc/11/86/76/1042118676.db2.gz VBFLPAFODYNJLF-HNNXBMFYSA-N 1 0 323.864 4.164 20 30 DIEDRO C[C@@H](C[NH2+][C@H](CCC#N)c1ccccc1)CC1CCOCC1 ZINC000350112870 1042134421 /nfs/dbraw/zinc/13/44/21/1042134421.db2.gz WMUADNOTJXUGGM-VQIMIIECSA-N 1 0 300.446 4.074 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000278866859 1042136451 /nfs/dbraw/zinc/13/64/51/1042136451.db2.gz WRCXXKAGUBIUKG-LJQANCHMSA-N 1 0 308.425 4.027 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000818021628 1042137348 /nfs/dbraw/zinc/13/73/48/1042137348.db2.gz CHKXDPDWHKYANB-UHFFFAOYSA-N 1 0 308.510 4.262 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000236789956 1042138868 /nfs/dbraw/zinc/13/88/68/1042138868.db2.gz WXECLTQGTLFEIY-UZLBHIALSA-N 1 0 308.425 4.464 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000066483995 1042140151 /nfs/dbraw/zinc/14/01/51/1042140151.db2.gz PNAQMKNJZOZHIP-INIZCTEOSA-N 1 0 313.420 4.061 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)c1ccco1 ZINC000278871519 1042144786 /nfs/dbraw/zinc/14/47/86/1042144786.db2.gz GIDNXBBKPBTJHY-NEWSRXKRSA-N 1 0 313.441 4.431 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC(=C)Cl)cc1 ZINC000818347629 1042149870 /nfs/dbraw/zinc/14/98/70/1042149870.db2.gz TUNMFXKKEBRRTA-HFTRVMKXSA-N 1 0 321.848 4.060 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000818356638 1042151013 /nfs/dbraw/zinc/15/10/13/1042151013.db2.gz PAPAYMJEBXDWIT-NSHGMRRFSA-N 1 0 320.436 4.348 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3CCc4cccc(Cl)c4C3)(CC1)CC2 ZINC001170904128 1042152998 /nfs/dbraw/zinc/15/29/98/1042152998.db2.gz XNSMLVWCVRDAJL-VNCLNFNDSA-N 1 0 314.860 4.403 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170909992 1042154881 /nfs/dbraw/zinc/15/48/81/1042154881.db2.gz XTMXDHCWJPRCNR-MGPUTAFESA-N 1 0 322.839 4.346 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000624037383 1042167836 /nfs/dbraw/zinc/16/78/36/1042167836.db2.gz YPYFJMXHVYACIC-INIZCTEOSA-N 1 0 317.864 4.355 20 30 DIEDRO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000819330391 1042178774 /nfs/dbraw/zinc/17/87/74/1042178774.db2.gz POYSCHJFLBPLEQ-LEWJYISDSA-N 1 0 322.452 4.362 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1Cl ZINC000066970233 1042210908 /nfs/dbraw/zinc/21/09/08/1042210908.db2.gz NEGOAKLOGINFRD-ZDUSSCGKSA-N 1 0 302.805 4.151 20 30 DIEDRO CC(C)C#CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000820698431 1042224749 /nfs/dbraw/zinc/22/47/49/1042224749.db2.gz AMDBNDVXCAEEQN-UHFFFAOYSA-N 1 0 312.457 4.049 20 30 DIEDRO CCOc1ccc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000821017317 1042238508 /nfs/dbraw/zinc/23/85/08/1042238508.db2.gz FNNVCYGDQSMEMV-RAXLEYEMSA-N 1 0 309.409 4.043 20 30 DIEDRO Cc1ccccc1[C@@H](C)[N@@H+](Cc1ccnc(C#N)c1)CC(C)C ZINC000585754781 1042242718 /nfs/dbraw/zinc/24/27/18/1042242718.db2.gz KFRBDCFYHHMDQC-QGZVFWFLSA-N 1 0 307.441 4.481 20 30 DIEDRO CC(C)(C#N)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000585767185 1042245272 /nfs/dbraw/zinc/24/52/72/1042245272.db2.gz JSFLGLBJOBKRGX-CABCVRRESA-N 1 0 310.363 4.481 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cccc(F)c2C1)c1cccc(C#N)c1 ZINC001170960988 1042246871 /nfs/dbraw/zinc/24/68/71/1042246871.db2.gz KZFKTUNMDHTNPS-YLJYHZDGSA-N 1 0 308.400 4.296 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000236829725 1042282629 /nfs/dbraw/zinc/28/26/29/1042282629.db2.gz VQHWRPNTZHUCAU-INIZCTEOSA-N 1 0 324.424 4.056 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001279272632 1042284700 /nfs/dbraw/zinc/28/47/00/1042284700.db2.gz VVQNPIPNSTVYKV-AZUAARDMSA-N 1 0 315.505 4.047 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1ccccc1OC)c1ccc(C#N)cc1 ZINC000618568516 1042289018 /nfs/dbraw/zinc/28/90/18/1042289018.db2.gz CIMRKGIAKISSLU-GOSISDBHSA-N 1 0 324.424 4.077 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000162692964 1042294290 /nfs/dbraw/zinc/29/42/90/1042294290.db2.gz NFBYBWZOFDRCBB-WMLDXEAASA-N 1 0 312.438 4.376 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CC[C@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000822592998 1042295302 /nfs/dbraw/zinc/29/53/02/1042295302.db2.gz NYOCPYXHRWDWGE-AWEZNQCLSA-N 1 0 309.240 4.107 20 30 DIEDRO C=CCSCC[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000319971646 1042299907 /nfs/dbraw/zinc/29/99/07/1042299907.db2.gz LGDGLQZGYNNNGN-LJQANCHMSA-N 1 0 313.466 4.293 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccc3occc3c2)C2CC2)cc1 ZINC000572046664 1042303273 /nfs/dbraw/zinc/30/32/73/1042303273.db2.gz NZZUBBXZXSDRTM-UHFFFAOYSA-N 1 0 302.377 4.469 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001171019349 1042330393 /nfs/dbraw/zinc/33/03/93/1042330393.db2.gz VIAPMLZYUCRIQJ-UXHICEINSA-N 1 0 320.436 4.335 20 30 DIEDRO C=CCC[N@@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000606897571 1042335358 /nfs/dbraw/zinc/33/53/58/1042335358.db2.gz ZLZMLKSEVWKTJT-ZDUSSCGKSA-N 1 0 301.352 4.291 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000237155319 1042362770 /nfs/dbraw/zinc/36/27/70/1042362770.db2.gz BPDJKMXXQSYUGD-AWEZNQCLSA-N 1 0 315.388 4.077 20 30 DIEDRO C=C1CCC(C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000724443927 1042366876 /nfs/dbraw/zinc/36/68/76/1042366876.db2.gz ZKOQWZSMNUDLOM-KRWDZBQOSA-N 1 0 324.509 4.119 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(Br)s1)c1ccccc1 ZINC000110057562 1042393872 /nfs/dbraw/zinc/39/38/72/1042393872.db2.gz GLOPUOJVWYSSCG-UHFFFAOYSA-N 1 0 308.244 4.314 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCc3ccccc3CC2)cc1 ZINC000614167392 1042419561 /nfs/dbraw/zinc/41/95/61/1042419561.db2.gz GQZHGAXNCIHWIC-UHFFFAOYSA-N 1 0 304.437 4.089 20 30 DIEDRO CC(C)(C#N)c1ccc(CN2CCOC[C@H]2c2ccccc2)cc1 ZINC000614168863 1042419584 /nfs/dbraw/zinc/41/95/84/1042419584.db2.gz ZGCKNHJEHAQWBD-FQEVSTJZSA-N 1 0 320.436 4.061 20 30 DIEDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167536 1042420067 /nfs/dbraw/zinc/42/00/67/1042420067.db2.gz WIPWGKNWMGUDJF-IBGZPJMESA-N 1 0 314.473 4.269 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000614179212 1042422203 /nfs/dbraw/zinc/42/22/03/1042422203.db2.gz LBCZFOMDRPEULG-UHFFFAOYSA-N 1 0 308.400 4.406 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000614177310 1042422773 /nfs/dbraw/zinc/42/27/73/1042422773.db2.gz OWILNEUVYAFFAE-UHFFFAOYSA-N 1 0 305.425 4.047 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000614176771 1042422989 /nfs/dbraw/zinc/42/29/89/1042422989.db2.gz FVDWAFHLJMGSRZ-UHFFFAOYSA-N 1 0 305.425 4.047 20 30 DIEDRO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614182147 1042423252 /nfs/dbraw/zinc/42/32/52/1042423252.db2.gz HMMIQMQOMTUGIG-INIZCTEOSA-N 1 0 320.436 4.271 20 30 DIEDRO C=CCN(Cc1ccc(Cl)s1)[C@@H](C)c1cnc(C)cn1 ZINC000411141937 1042427265 /nfs/dbraw/zinc/42/72/65/1042427265.db2.gz WIHMIXBPHKVOKO-LBPRGKRZSA-N 1 0 307.850 4.249 20 30 DIEDRO CCC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000150924231 1042430096 /nfs/dbraw/zinc/43/00/96/1042430096.db2.gz ARMUDZLXQQEEIC-SFHVURJKSA-N 1 0 300.352 4.467 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236974779 1042441148 /nfs/dbraw/zinc/44/11/48/1042441148.db2.gz YHUHODZJULYTAP-JKSUJKDBSA-N 1 0 324.424 4.227 20 30 DIEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000411401883 1042444948 /nfs/dbraw/zinc/44/49/48/1042444948.db2.gz OAGFTAFQXULLLM-LSDHHAIUSA-N 1 0 306.837 4.123 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H](C)CCC#N)ccc1OCCC(C)C ZINC000411445509 1042446397 /nfs/dbraw/zinc/44/63/97/1042446397.db2.gz AEJBOLFQTIEHOY-HOTGVXAUSA-N 1 0 318.461 4.463 20 30 DIEDRO N#CC1(CC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CCCCC1 ZINC000411465856 1042450211 /nfs/dbraw/zinc/45/02/11/1042450211.db2.gz YFJFFJBLNWOEDS-RBUKOAKNSA-N 1 0 312.457 4.218 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000249059287 1042450814 /nfs/dbraw/zinc/45/08/14/1042450814.db2.gz ZMXMLTUUYMZKLB-IOASZLSFSA-N 1 0 310.363 4.481 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(OC)cc1 ZINC000237015220 1042455733 /nfs/dbraw/zinc/45/57/33/1042455733.db2.gz MFSYJXMVGHFSGG-FOIQADDNSA-N 1 0 324.424 4.227 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000614403279 1042491822 /nfs/dbraw/zinc/49/18/22/1042491822.db2.gz NMBZTESYEALKQJ-UHFFFAOYSA-N 1 0 302.780 4.291 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000614407700 1042492744 /nfs/dbraw/zinc/49/27/44/1042492744.db2.gz WZKRBURSEHRAMN-ZDUSSCGKSA-N 1 0 316.351 4.319 20 30 DIEDRO N#Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)ccn1 ZINC000614414983 1042494432 /nfs/dbraw/zinc/49/44/32/1042494432.db2.gz PPCYYHDXLLZZKO-HBMCJLEFSA-N 1 0 317.436 4.111 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571542 1042497425 /nfs/dbraw/zinc/49/74/25/1042497425.db2.gz SNPWUONIGDADAR-UHFFFAOYSA-N 1 0 319.452 4.181 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N(C)C1CC[NH+](C)CC1 ZINC000729257827 1042517199 /nfs/dbraw/zinc/51/71/99/1042517199.db2.gz RPBAUHVULQZPKP-SEYXRHQNSA-N 1 0 308.510 4.236 20 30 DIEDRO COc1cc(C)c([C@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1C ZINC000614493341 1042556919 /nfs/dbraw/zinc/55/69/19/1042556919.db2.gz OISMSWRPSMQDTI-INIZCTEOSA-N 1 0 308.425 4.377 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+]CCC3CCCCC3)CC2)cc1 ZINC000513698121 1042575421 /nfs/dbraw/zinc/57/54/21/1042575421.db2.gz WTKLSQIVEWZIKV-UHFFFAOYSA-N 1 0 311.473 4.087 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000280720869 1042578414 /nfs/dbraw/zinc/57/84/14/1042578414.db2.gz FRZGMBBSICWOQJ-CZAAIQMYSA-N 1 0 322.452 4.380 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000618803173 1042598846 /nfs/dbraw/zinc/59/88/46/1042598846.db2.gz QMLPTQYRYWLUSD-FZKQIMNGSA-N 1 0 321.380 4.113 20 30 DIEDRO C[C@@H](C[N@H+](CCC#N)CC1CC1)c1cccc(Br)c1 ZINC000513741429 1042624707 /nfs/dbraw/zinc/62/47/07/1042624707.db2.gz MZBVQRYSOWNXKN-ZDUSSCGKSA-N 1 0 321.262 4.178 20 30 DIEDRO COc1ccc2cc(C[N@H+](C)Cc3cccc(C#N)c3)ccc2c1 ZINC000016354143 1042629912 /nfs/dbraw/zinc/62/99/12/1042629912.db2.gz NUNFWJHZOLARQF-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2ccc(C#N)c(F)c2)c1C ZINC000421330584 1042630742 /nfs/dbraw/zinc/63/07/42/1042630742.db2.gz YDPFACPQJOBIBF-UHFFFAOYSA-N 1 0 321.399 4.394 20 30 DIEDRO C[C@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc(C#N)s1 ZINC000421352063 1042631804 /nfs/dbraw/zinc/63/18/04/1042631804.db2.gz PTKAWFWPJOBZDP-SNVBAGLBSA-N 1 0 310.875 4.446 20 30 DIEDRO N#CCCC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421351765 1042631870 /nfs/dbraw/zinc/63/18/70/1042631870.db2.gz ZYLJROJSFLZWSZ-UHFFFAOYSA-N 1 0 308.429 4.059 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000421370986 1042633236 /nfs/dbraw/zinc/63/32/36/1042633236.db2.gz XJXPSBHQWDEMBS-FZMZJTMJSA-N 1 0 314.326 4.156 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421371453 1042633515 /nfs/dbraw/zinc/63/35/15/1042633515.db2.gz XUOIQSWWPFJKBZ-WOJBJXKFSA-N 1 0 324.399 4.016 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421836739 1042655815 /nfs/dbraw/zinc/65/58/15/1042655815.db2.gz RMXDNQDBVROVPC-CQSZACIVSA-N 1 0 322.880 4.040 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC2CCC(C#N)CC2)C2CC2)c(F)c1 ZINC000421854224 1042656906 /nfs/dbraw/zinc/65/69/06/1042656906.db2.gz LCQKMYQZIXWXHR-SVGDTCPJSA-N 1 0 316.420 4.205 20 30 DIEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000190948850 1042674747 /nfs/dbraw/zinc/67/47/47/1042674747.db2.gz GCPOBGWDTNAXLR-CQSZACIVSA-N 1 0 313.470 4.248 20 30 DIEDRO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCC#N)CCC3)cc1 ZINC000273267235 1042680490 /nfs/dbraw/zinc/68/04/90/1042680490.db2.gz NYFNSHNXZNCFOG-OAHLLOKOSA-N 1 0 311.454 4.389 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000424202123 1042728994 /nfs/dbraw/zinc/72/89/94/1042728994.db2.gz SHZXLMTXWSURDY-QWHCGFSZSA-N 1 0 300.402 4.336 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000424281886 1042733196 /nfs/dbraw/zinc/73/31/96/1042733196.db2.gz ONSGGSFOBPSXDJ-XZLOLGPPSA-N 1 0 321.411 4.375 20 30 DIEDRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424317305 1042733409 /nfs/dbraw/zinc/73/34/09/1042733409.db2.gz BUJRYUAWMDKOKU-DUVNUKRYSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000424324466 1042733815 /nfs/dbraw/zinc/73/38/15/1042733815.db2.gz KAMHTOJUNQFVEA-IUIKQTSFSA-N 1 0 319.246 4.182 20 30 DIEDRO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424335063 1042734379 /nfs/dbraw/zinc/73/43/79/1042734379.db2.gz WLEKZVYLVSWZCS-RKOGWWSCSA-N 1 0 312.457 4.392 20 30 DIEDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000514184308 1042771621 /nfs/dbraw/zinc/77/16/21/1042771621.db2.gz SNPXZZTWMAFLBY-FQEVSTJZSA-N 1 0 308.400 4.213 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000425346695 1042795123 /nfs/dbraw/zinc/79/51/23/1042795123.db2.gz CDGAZVLOVYXLFJ-UHOSZYNNSA-N 1 0 317.860 4.457 20 30 DIEDRO CCOc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425363265 1042796889 /nfs/dbraw/zinc/79/68/89/1042796889.db2.gz BDPYCSULUSCSPW-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO C=CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](CC)CCCC ZINC001269960657 1042801908 /nfs/dbraw/zinc/80/19/08/1042801908.db2.gz QFKNZTXFPTUBKU-ZSYWTGECSA-N 1 0 320.521 4.090 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)nc1 ZINC000516952538 1042860768 /nfs/dbraw/zinc/86/07/68/1042860768.db2.gz DPJKEJXSYJRVCM-SFHVURJKSA-N 1 0 311.816 4.238 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2(c3cccs3)CCCCC2)n1 ZINC000517060370 1042865850 /nfs/dbraw/zinc/86/58/50/1042865850.db2.gz ISWWPHWNRTUKGB-UHFFFAOYSA-N 1 0 317.483 4.068 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)Cc1ccsc1 ZINC000425924257 1042875069 /nfs/dbraw/zinc/87/50/69/1042875069.db2.gz UMIQQJUIAJFLGB-CYBMUJFWSA-N 1 0 302.418 4.212 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)c1ccc(F)cc1 ZINC000517624681 1042889043 /nfs/dbraw/zinc/88/90/43/1042889043.db2.gz NUJFRKULXVHXBZ-CYBMUJFWSA-N 1 0 300.352 4.420 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)CC2CCC2)c(F)c1 ZINC000517855991 1042900801 /nfs/dbraw/zinc/90/08/01/1042900801.db2.gz AUQLWPUUQIVMBZ-UHFFFAOYSA-N 1 0 308.400 4.500 20 30 DIEDRO CCCCCCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(C)C ZINC001280268979 1042974157 /nfs/dbraw/zinc/97/41/57/1042974157.db2.gz LSAYHRPTYMSQKC-PKOBYXMFSA-N 1 0 308.510 4.070 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)c1 ZINC000151369984 1042986553 /nfs/dbraw/zinc/98/65/53/1042986553.db2.gz BDEYSTQAPPLESG-QGZVFWFLSA-N 1 0 312.800 4.215 20 30 DIEDRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CC(C)(C)CC#N ZINC000894854464 1042989288 /nfs/dbraw/zinc/98/92/88/1042989288.db2.gz CIRCABKPGBFRGQ-UHFFFAOYSA-N 1 0 323.462 4.125 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)c1nc2ccccc2s1 ZINC000151382864 1042990106 /nfs/dbraw/zinc/99/01/06/1042990106.db2.gz FUMVLCKDCYQVSC-UONOGXRCSA-N 1 0 321.449 4.450 20 30 DIEDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000519643242 1042997381 /nfs/dbraw/zinc/99/73/81/1042997381.db2.gz CMWMGFUIYQMKNL-FQEVSTJZSA-N 1 0 305.425 4.414 20 30 DIEDRO C=C(C)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000519909277 1043007650 /nfs/dbraw/zinc/00/76/50/1043007650.db2.gz QCFUIZJJTGBNCL-UHFFFAOYSA-N 1 0 300.215 4.375 20 30 DIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415938395 1043010358 /nfs/dbraw/zinc/01/03/58/1043010358.db2.gz XYUYTFAWRCMNIC-UHFFFAOYSA-N 1 0 323.440 4.016 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]C/C=C\c1ccccc1 ZINC000520209806 1043024587 /nfs/dbraw/zinc/02/45/87/1043024587.db2.gz DOWYXLXPATZOHF-TWGQIWQCSA-N 1 0 308.450 4.094 20 30 DIEDRO CCCCOc1ccccc1C[NH2+]CC1CCC(C#N)CC1 ZINC000441333891 1043036458 /nfs/dbraw/zinc/03/64/58/1043036458.db2.gz NEJZRUGVFRLTRX-UHFFFAOYSA-N 1 0 300.446 4.285 20 30 DIEDRO Cc1nn(C(C)C)c(C)c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000894964776 1043051785 /nfs/dbraw/zinc/05/17/85/1043051785.db2.gz YHMFDOMJDWQGRM-HXUWFJFHSA-N 1 0 322.456 4.120 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C)cc1O ZINC000794826991 1043066041 /nfs/dbraw/zinc/06/60/41/1043066041.db2.gz GOVRFSGQBYDHDC-RTBURBONSA-N 1 0 306.409 4.301 20 30 DIEDRO C[C@H]([NH2+]CC1(C)CCC(C)CC1)c1ccc(OCC#N)cc1 ZINC000794831393 1043067683 /nfs/dbraw/zinc/06/76/83/1043067683.db2.gz DCSRAZZMTSRTGP-WUJZJPHMSA-N 1 0 300.446 4.456 20 30 DIEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 ZINC000794830802 1043069856 /nfs/dbraw/zinc/06/98/56/1043069856.db2.gz LKAXTGYURBNTPP-YSSFQJQWSA-N 1 0 308.425 4.111 20 30 DIEDRO Cc1cccc2nc(C3CC[NH+]([C@@H]4CC[C@@H](C#N)C4)CC3)oc21 ZINC000328845736 1043079551 /nfs/dbraw/zinc/07/95/51/1043079551.db2.gz QHEFGESFQMZQFT-GDBMZVCRSA-N 1 0 309.413 4.008 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000120563682 1043101198 /nfs/dbraw/zinc/10/11/98/1043101198.db2.gz RDENGJWAZHTHEY-OAHLLOKOSA-N 1 0 324.399 4.281 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C)cc2F)c1 ZINC000865463924 1043101364 /nfs/dbraw/zinc/10/13/64/1043101364.db2.gz QMLSVESXXNGWLF-KRWDZBQOSA-N 1 0 312.388 4.105 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1OC(F)F ZINC000176946646 1043101499 /nfs/dbraw/zinc/10/14/99/1043101499.db2.gz NWAKSWGDVSUAMI-CQSZACIVSA-N 1 0 322.380 4.462 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000176962712 1043101891 /nfs/dbraw/zinc/10/18/91/1043101891.db2.gz IBCVJYUIJFRRLS-QGZVFWFLSA-N 1 0 300.402 4.390 20 30 DIEDRO CCOc1cc(F)cc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000865508849 1043106504 /nfs/dbraw/zinc/10/65/04/1043106504.db2.gz MORHFGKYXILGFD-IBGZPJMESA-N 1 0 312.388 4.359 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)o2)cc1 ZINC000865813955 1043134435 /nfs/dbraw/zinc/13/44/35/1043134435.db2.gz BNYZXNGKGNWCMX-CQSZACIVSA-N 1 0 312.413 4.158 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000178643241 1043134485 /nfs/dbraw/zinc/13/44/85/1043134485.db2.gz LZIPPUJKBGKCLY-YVEFUNNKSA-N 1 0 312.800 4.386 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000178643283 1043135304 /nfs/dbraw/zinc/13/53/04/1043135304.db2.gz LZIPPUJKBGKCLY-PXAZEXFGSA-N 1 0 312.800 4.386 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)o2)cc1 ZINC000865813954 1043135352 /nfs/dbraw/zinc/13/53/52/1043135352.db2.gz BNYZXNGKGNWCMX-AWEZNQCLSA-N 1 0 312.413 4.158 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000865857660 1043141921 /nfs/dbraw/zinc/14/19/21/1043141921.db2.gz VFLNGVLDZULJOA-SFHVURJKSA-N 1 0 312.457 4.069 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](c2ccccn2)C(C)C)c1 ZINC000866296334 1043175249 /nfs/dbraw/zinc/17/52/49/1043175249.db2.gz BABPFSARESOFQF-FXAWDEMLSA-N 1 0 323.440 4.249 20 30 DIEDRO CC[C@H](C)[C@H](C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441491700 1043183115 /nfs/dbraw/zinc/18/31/15/1043183115.db2.gz OZENRJQYGRETHW-KBPBESRZSA-N 1 0 324.428 4.007 20 30 DIEDRO N#CCC1(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866351809 1043186316 /nfs/dbraw/zinc/18/63/16/1043186316.db2.gz RMIZRFZTXHCCGY-LJQANCHMSA-N 1 0 305.425 4.039 20 30 DIEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccc(F)c1 ZINC000866444583 1043203150 /nfs/dbraw/zinc/20/31/50/1043203150.db2.gz BFYWXURYAPGWOG-OAHLLOKOSA-N 1 0 323.415 4.017 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(OC)c1OC ZINC000866507113 1043211535 /nfs/dbraw/zinc/21/15/35/1043211535.db2.gz CBTHIIHDZIVUTA-NLGTXKQRSA-N 1 0 316.445 4.217 20 30 DIEDRO C[C@H]([NH2+]CCSCCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000866542998 1043220909 /nfs/dbraw/zinc/22/09/09/1043220909.db2.gz KMKKHCSFABPMNB-JTQLQIEISA-N 1 0 320.355 4.034 20 30 DIEDRO C[C@@H]([NH2+]CCSCCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000866542999 1043220183 /nfs/dbraw/zinc/22/01/83/1043220183.db2.gz KMKKHCSFABPMNB-SNVBAGLBSA-N 1 0 320.355 4.034 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[NH+](CC)CC ZINC000191483412 1043261763 /nfs/dbraw/zinc/26/17/63/1043261763.db2.gz LRKVHOVYSVGIIR-UHFFFAOYSA-N 1 0 317.477 4.002 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000121884982 1043265855 /nfs/dbraw/zinc/26/58/55/1043265855.db2.gz NFUFCVPOVGAFTR-MOPGFXCFSA-N 1 0 324.424 4.020 20 30 DIEDRO COC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000193994628 1043289183 /nfs/dbraw/zinc/28/91/83/1043289183.db2.gz BMGUNRJJCLWEAQ-ACJLOTCBSA-N 1 0 314.816 4.250 20 30 DIEDRO COCCCC[N@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000266926096 1043303356 /nfs/dbraw/zinc/30/33/56/1043303356.db2.gz QXCVZHIGDOLDPD-UHFFFAOYSA-N 1 0 302.462 4.245 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000266889406 1043304450 /nfs/dbraw/zinc/30/44/50/1043304450.db2.gz DCYKPGRASFXHCF-SFHVURJKSA-N 1 0 318.436 4.137 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCCC1(C)C ZINC001202528162 1043314752 /nfs/dbraw/zinc/31/47/52/1043314752.db2.gz LUEJBJRNDRMOFX-CQSZACIVSA-N 1 0 305.849 4.268 20 30 DIEDRO CCOc1ccc([C@H](CC)[NH2+]CCCCC#N)cc1OCC ZINC000268826901 1043336861 /nfs/dbraw/zinc/33/68/61/1043336861.db2.gz BIRMIBJAFMGHPX-INIZCTEOSA-N 1 0 304.434 4.219 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000795106256 1043339598 /nfs/dbraw/zinc/33/95/98/1043339598.db2.gz JKCDRDVUEZNIGJ-AZUAARDMSA-N 1 0 322.537 4.317 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000268881696 1043340301 /nfs/dbraw/zinc/34/03/01/1043340301.db2.gz AZIZIZSACHCMBZ-KBXCAEBGSA-N 1 0 324.424 4.377 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)COc2cccc(C)c2)cc1 ZINC000520946916 1043341480 /nfs/dbraw/zinc/34/14/80/1043341480.db2.gz UUCJJZFXWWCZBY-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCOC1 ZINC001202530715 1043347579 /nfs/dbraw/zinc/34/75/79/1043347579.db2.gz UMCXVJVPNZUFCF-PXNSSMCTSA-N 1 0 320.436 4.158 20 30 DIEDRO C[N@H+](CCOc1ccc(C#N)cc1)Cc1cccc2ccccc21 ZINC000521383990 1043394383 /nfs/dbraw/zinc/39/43/83/1043394383.db2.gz ZNJMMWCWTXYORB-UHFFFAOYSA-N 1 0 316.404 4.222 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000442708419 1043407705 /nfs/dbraw/zinc/40/77/05/1043407705.db2.gz IYXUBYCLZYLPIO-QFBILLFUSA-N 1 0 306.409 4.047 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442712945 1043408194 /nfs/dbraw/zinc/40/81/94/1043408194.db2.gz HWKPUJHPRSSCEL-NJAFHUGGSA-N 1 0 300.446 4.077 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1 ZINC000871934010 1043416176 /nfs/dbraw/zinc/41/61/76/1043416176.db2.gz BFPTUNWEYBLNGH-NWDGAFQWSA-N 1 0 319.330 4.384 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](COCc2ccccc2)c2ccccc2)C1 ZINC000442767419 1043420510 /nfs/dbraw/zinc/42/05/10/1043420510.db2.gz MQHQCZRHTRXTSY-NRSPTQNISA-N 1 0 320.436 4.226 20 30 DIEDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N)n(-c2ccccc2)n1 ZINC000925585046 1043433554 /nfs/dbraw/zinc/43/35/54/1043433554.db2.gz RSVJWFWPMJBCBF-DOTOQJQBSA-N 1 0 324.472 4.030 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)Cc1ccsc1 ZINC000442838867 1043434645 /nfs/dbraw/zinc/43/46/45/1043434645.db2.gz UFUDXMAZRHNDSU-CQSZACIVSA-N 1 0 314.454 4.081 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000442861269 1043435938 /nfs/dbraw/zinc/43/59/38/1043435938.db2.gz TVSWAIDJEZMIPQ-XABYNWHXSA-N 1 0 308.347 4.233 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000442861267 1043436229 /nfs/dbraw/zinc/43/62/29/1043436229.db2.gz TVSWAIDJEZMIPQ-UIBBOPPKSA-N 1 0 308.347 4.233 20 30 DIEDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1CCC(C#N)CC1)CCCO2 ZINC000442868201 1043438068 /nfs/dbraw/zinc/43/80/68/1043438068.db2.gz QAZHPSCCVNLZCR-FAFZWHIHSA-N 1 0 312.457 4.437 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442864938 1043439277 /nfs/dbraw/zinc/43/92/77/1043439277.db2.gz HDLRBKAFHTVQHQ-BEFRKJEDSA-N 1 0 300.421 4.369 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccnn1CC1CCC1)c1ccccc1 ZINC000925638238 1043442513 /nfs/dbraw/zinc/44/25/13/1043442513.db2.gz YXWMJDWISXXTLU-VQIMIIECSA-N 1 0 307.441 4.098 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000442854270 1043442727 /nfs/dbraw/zinc/44/27/27/1043442727.db2.gz AAVUGPRVBONYSQ-SWLSCSKDSA-N 1 0 319.246 4.110 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C12CCCCC2 ZINC000442879094 1043447721 /nfs/dbraw/zinc/44/77/21/1043447721.db2.gz VPXZTSIBMSEUQB-OPQOLIRYSA-N 1 0 304.478 4.034 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)s2)ccc1C#N ZINC000442894605 1043451770 /nfs/dbraw/zinc/45/17/70/1043451770.db2.gz ZSQUJTZCARHNEW-MRXNPFEDSA-N 1 0 312.438 4.274 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1F ZINC000872079818 1043452097 /nfs/dbraw/zinc/45/20/97/1043452097.db2.gz LBWVECLVOIJWJY-PXAZEXFGSA-N 1 0 310.372 4.131 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCOC4(CCCC4)C3)CCC2)cc1 ZINC000872084362 1043454421 /nfs/dbraw/zinc/45/44/21/1043454421.db2.gz IFQHJTIAMGYKHX-SFHVURJKSA-N 1 0 310.441 4.019 20 30 DIEDRO CC(C)(C)[C@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CCO1 ZINC000872086892 1043454600 /nfs/dbraw/zinc/45/46/00/1043454600.db2.gz ZECQIRDPVMIJFV-QZTJIDSGSA-N 1 0 312.457 4.121 20 30 DIEDRO CC(C)C[N@H+](CCOCCC#N)[C@H](C)c1ccccc1Cl ZINC000339170005 1043457337 /nfs/dbraw/zinc/45/73/37/1043457337.db2.gz NGBTZRYKNSAIPV-OAHLLOKOSA-N 1 0 308.853 4.289 20 30 DIEDRO COCc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000339237634 1043457549 /nfs/dbraw/zinc/45/75/49/1043457549.db2.gz QXLYTUPEOLRAFP-FQEVSTJZSA-N 1 0 308.425 4.358 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000872101863 1043457953 /nfs/dbraw/zinc/45/79/53/1043457953.db2.gz OQAIBIPHGOFRJV-CQSZACIVSA-N 1 0 318.461 4.297 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000872100861 1043458367 /nfs/dbraw/zinc/45/83/67/1043458367.db2.gz LDELJVCUTHZWAS-IBGZPJMESA-N 1 0 314.473 4.062 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)CC2 ZINC000872107459 1043460700 /nfs/dbraw/zinc/46/07/00/1043460700.db2.gz MOVNLGAGRCONEX-CQSZACIVSA-N 1 0 322.355 4.416 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC(C(F)(F)F)C1 ZINC000348692144 1043461508 /nfs/dbraw/zinc/46/15/08/1043461508.db2.gz DKWMIYHYBDUKRQ-ZBCRRDGASA-N 1 0 308.347 4.256 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000872114237 1043462131 /nfs/dbraw/zinc/46/21/31/1043462131.db2.gz WZMSNNMZZXTDAG-UHFFFAOYSA-N 1 0 300.446 4.426 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc2c(s1)CCCC2 ZINC000521828734 1043480661 /nfs/dbraw/zinc/48/06/61/1043480661.db2.gz WGZSELZDFKTCAT-UHFFFAOYSA-N 1 0 313.466 4.482 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@H](OC4CCC4)CC3)cc2)CC1 ZINC000872259717 1043486828 /nfs/dbraw/zinc/48/68/28/1043486828.db2.gz HIUIKSRBVFJXKO-FQEVSTJZSA-N 1 0 324.468 4.165 20 30 DIEDRO CC(C)C[N@H+](CCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000521822141 1043487723 /nfs/dbraw/zinc/48/77/23/1043487723.db2.gz AWAVAEYDUQDZLW-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO C[NH+]1CCC(C=NN(Cc2ccccc2)c2ccccc2)CC1 ZINC000872325337 1043493322 /nfs/dbraw/zinc/49/33/22/1043493322.db2.gz NCNQXVZOYCUBPT-UHFFFAOYSA-N 1 0 307.441 4.021 20 30 DIEDRO COc1cc(N=NC2CCC(C)([NH+](C)C)CC2)ccc1Cl ZINC000872371709 1043494648 /nfs/dbraw/zinc/49/46/48/1043494648.db2.gz OQLSECVQYIPGOU-UHFFFAOYSA-N 1 0 309.841 4.011 20 30 DIEDRO CC(C)[N@H+](Cc1ccco1)Cc1cccc(OCCCC#N)c1 ZINC000349836740 1043527088 /nfs/dbraw/zinc/52/70/88/1043527088.db2.gz BRDMJTOBLFULDC-UHFFFAOYSA-N 1 0 312.413 4.373 20 30 DIEDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)OC(C)C ZINC000926201559 1043545337 /nfs/dbraw/zinc/54/53/37/1043545337.db2.gz HFIFCGLRDNZUSW-YJBOKZPZSA-N 1 0 318.461 4.079 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000558575591 1043547014 /nfs/dbraw/zinc/54/70/14/1043547014.db2.gz PWPUEHAOXGLCRF-NRFANRHFSA-N 1 0 306.453 4.370 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(F)c(F)c1 ZINC000926207001 1043547246 /nfs/dbraw/zinc/54/72/46/1043547246.db2.gz RYXGGQRMWJYADL-GITADBLFSA-N 1 0 307.384 4.129 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000442862596 1043550735 /nfs/dbraw/zinc/55/07/35/1043550735.db2.gz VQWYLCHWHXLDFY-MFKMUULPSA-N 1 0 322.239 4.299 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)cc1 ZINC000124675959 1043560434 /nfs/dbraw/zinc/56/04/34/1043560434.db2.gz CLAZADKOFVEAMP-CQSZACIVSA-N 1 0 312.388 4.141 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(CF)cc1 ZINC000777595116 1043562093 /nfs/dbraw/zinc/56/20/93/1043562093.db2.gz UVJTUTRYLTWCSL-WOJBJXKFSA-N 1 0 308.400 4.428 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000926366183 1043569490 /nfs/dbraw/zinc/56/94/90/1043569490.db2.gz CFVIFLQBXRDPAQ-CYBMUJFWSA-N 1 0 301.409 4.158 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)cc1C#N ZINC000124960438 1043576346 /nfs/dbraw/zinc/57/63/46/1043576346.db2.gz FWNGIZUAZCFPAV-IBGZPJMESA-N 1 0 308.425 4.444 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@]12CCN(CC(C)C)C2=O ZINC001275115724 1043576624 /nfs/dbraw/zinc/57/66/24/1043576624.db2.gz YMYFDYHJCBBTPC-LJQANCHMSA-N 1 0 308.510 4.070 20 30 DIEDRO C=CC[N@@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC000558739596 1043584689 /nfs/dbraw/zinc/58/46/89/1043584689.db2.gz PQQNJKMZRIEVOS-UHFFFAOYSA-N 1 0 315.388 4.031 20 30 DIEDRO N#CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000926482008 1043584822 /nfs/dbraw/zinc/58/48/22/1043584822.db2.gz WSRFJUODCYZXSZ-FBVQUNGASA-N 1 0 300.471 4.438 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccccc1 ZINC000926482043 1043585438 /nfs/dbraw/zinc/58/54/38/1043585438.db2.gz XBYNEBHOCLHXDX-WTGUMLROSA-N 1 0 312.457 4.216 20 30 DIEDRO Cc1ccc(C(C)(C)[NH2+]Cc2cccc(OCCCC#N)c2)cn1 ZINC000353140028 1043587225 /nfs/dbraw/zinc/58/72/25/1043587225.db2.gz FFRKRDNBCPNOTJ-UHFFFAOYSA-N 1 0 323.440 4.098 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOc3c(Cl)cccc31)CC2 ZINC000353248057 1043592674 /nfs/dbraw/zinc/59/26/74/1043592674.db2.gz AJFUBUHUBXJSMA-QZTJIDSGSA-N 1 0 324.811 4.312 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353261871 1043595340 /nfs/dbraw/zinc/59/53/40/1043595340.db2.gz VGKGQIXYHKSNDE-WOJBJXKFSA-N 1 0 301.393 4.180 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353261867 1043595592 /nfs/dbraw/zinc/59/55/92/1043595592.db2.gz VGKGQIXYHKSNDE-UXHICEINSA-N 1 0 301.393 4.180 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000353272300 1043595760 /nfs/dbraw/zinc/59/57/60/1043595760.db2.gz LNEBSALWOZJDKL-ZWKOTPCHSA-N 1 0 306.434 4.372 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000926541844 1043597477 /nfs/dbraw/zinc/59/74/77/1043597477.db2.gz KIPYGWQXAMTHBA-INIZCTEOSA-N 1 0 307.526 4.147 20 30 DIEDRO Cc1cc(C)cc([C@H]([NH2+]CC(C)(C)CC#N)c2cccnc2)c1 ZINC000926569753 1043600705 /nfs/dbraw/zinc/60/07/05/1043600705.db2.gz SVRYTEYPHDPJJP-LJQANCHMSA-N 1 0 307.441 4.317 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccco1 ZINC000353396811 1043605191 /nfs/dbraw/zinc/60/51/91/1043605191.db2.gz VLLCTHMTPLSKQS-GOSISDBHSA-N 1 0 307.397 4.262 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc2c1OCO2 ZINC000926603531 1043605458 /nfs/dbraw/zinc/60/54/58/1043605458.db2.gz VIQPHACTZKEEFF-SCLBCKFNSA-N 1 0 320.392 4.015 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc(-n2cccn2)cc1 ZINC000353422766 1043606951 /nfs/dbraw/zinc/60/69/51/1043606951.db2.gz NSCLDNAUOPQETN-UHFFFAOYSA-N 1 0 310.445 4.024 20 30 DIEDRO CCc1cccc(F)c1CN(C)Cc1cc(C#N)ccc1F ZINC000474103110 1043610429 /nfs/dbraw/zinc/61/04/29/1043610429.db2.gz BQJDNOKTXKWMPX-UHFFFAOYSA-N 1 0 300.352 4.031 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000926705791 1043620178 /nfs/dbraw/zinc/62/01/78/1043620178.db2.gz XEXUBOYAIVDUKX-HXUWFJFHSA-N 1 0 322.408 4.100 20 30 DIEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926712577 1043621146 /nfs/dbraw/zinc/62/11/46/1043621146.db2.gz SPEQKZKAPXHPDF-OAHLLOKOSA-N 1 0 300.446 4.039 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)ccc1C#N ZINC000353626856 1043624573 /nfs/dbraw/zinc/62/45/73/1043624573.db2.gz UYDVDRDNPDQMMZ-LIRRHRJNSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cc(C#N)ccc1F ZINC000190504282 1043625248 /nfs/dbraw/zinc/62/52/48/1043625248.db2.gz OMZCDHXOUZFMKM-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(F)cc1F ZINC000353634015 1043626859 /nfs/dbraw/zinc/62/68/59/1043626859.db2.gz YVCHSKBVMSBCJL-KRWDZBQOSA-N 1 0 316.351 4.086 20 30 DIEDRO CC1CCC([N@@H+](Cc2cc(C#N)cs2)C[C@H]2CCCO2)CC1 ZINC000353644329 1043627876 /nfs/dbraw/zinc/62/78/76/1043627876.db2.gz DFPMANLGELDNJK-BDVYOWHSSA-N 1 0 318.486 4.179 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOc3c(F)cccc31)CC2 ZINC000353662518 1043629490 /nfs/dbraw/zinc/62/94/90/1043629490.db2.gz SHCUGOFNEFEYOR-MOPGFXCFSA-N 1 0 322.383 4.188 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000353881260 1043652334 /nfs/dbraw/zinc/65/23/34/1043652334.db2.gz LCPREFYBQBEFDX-NRFANRHFSA-N 1 0 318.420 4.290 20 30 DIEDRO CCC(CC)[N@H+](CCOC)Cc1ccccc1C(C)(C)C#N ZINC000487437166 1043655055 /nfs/dbraw/zinc/65/50/55/1043655055.db2.gz YQPWVCLWNIKRGT-UHFFFAOYSA-N 1 0 302.462 4.125 20 30 DIEDRO Cc1ccncc1CCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353912654 1043657664 /nfs/dbraw/zinc/65/76/64/1043657664.db2.gz FRLJTMYRKMKQQC-FQEVSTJZSA-N 1 0 307.441 4.347 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)CCS2 ZINC000926967644 1043663353 /nfs/dbraw/zinc/66/33/53/1043663353.db2.gz WFHXNNOMDBKUOH-GOSISDBHSA-N 1 0 324.449 4.202 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000142886081 1043666564 /nfs/dbraw/zinc/66/65/64/1043666564.db2.gz YLNGNEOFWXHVQB-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000142885869 1043667622 /nfs/dbraw/zinc/66/76/22/1043667622.db2.gz YLNGNEOFWXHVQB-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018698 1043672704 /nfs/dbraw/zinc/67/27/04/1043672704.db2.gz RORATRYAPWQCMU-NHYWBVRUSA-N 1 0 302.245 4.361 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C2CCC2)cc1 ZINC000927065322 1043679805 /nfs/dbraw/zinc/67/98/05/1043679805.db2.gz CSQLIIUBFLYYGY-XOBRGWDASA-N 1 0 321.424 4.154 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000559054124 1043683082 /nfs/dbraw/zinc/68/30/82/1043683082.db2.gz KQMGKFFSIMFTCH-CABCVRRESA-N 1 0 308.853 4.478 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(CCC(=O)N(CC=C)C2)CC1 ZINC001275329018 1043699845 /nfs/dbraw/zinc/69/98/45/1043699845.db2.gz KASJCNLCOLPURQ-UHFFFAOYSA-N 1 0 318.505 4.014 20 30 DIEDRO C[C@@H]1CC(NCC#CC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168030747 1043702292 /nfs/dbraw/zinc/70/22/92/1043702292.db2.gz XBVWKUQZWNQIIS-QZTJIDSGSA-N 1 0 312.501 4.067 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000559152114 1043704919 /nfs/dbraw/zinc/70/49/19/1043704919.db2.gz YQCWKPNFSUNMHJ-GFCCVEGCSA-N 1 0 320.433 4.111 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876885864 1043721158 /nfs/dbraw/zinc/72/11/58/1043721158.db2.gz RNJKVNKFQBUPSK-QGZVFWFLSA-N 1 0 313.832 4.484 20 30 DIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H](C)CCC#N)CCCC2 ZINC000895656769 1043726921 /nfs/dbraw/zinc/72/69/21/1043726921.db2.gz TXYFSEWKTYTBBX-PBHICJAKSA-N 1 0 316.445 4.001 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H](c2ccccc2)C2CCCCC2)n1 ZINC000876931151 1043726924 /nfs/dbraw/zinc/72/69/24/1043726924.db2.gz JTZQQCDWURNEEO-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO C[C@@H](Nc1ccc2c(c1)CCCN2C)c1ccc(C#N)c(F)c1 ZINC000777655294 1043728767 /nfs/dbraw/zinc/72/87/67/1043728767.db2.gz HTQSODZHMCGHBW-CYBMUJFWSA-N 1 0 309.388 4.253 20 30 DIEDRO CCC(C#N)(CC)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168032505 1043730604 /nfs/dbraw/zinc/73/06/04/1043730604.db2.gz HCKTYMYHQZKEJG-IAGOWNOFSA-N 1 0 313.489 4.100 20 30 DIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC000877043584 1043737416 /nfs/dbraw/zinc/73/74/16/1043737416.db2.gz KEYXQSMYTPADBX-KRWDZBQOSA-N 1 0 311.816 4.238 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)c2ccccc21 ZINC000877099444 1043741601 /nfs/dbraw/zinc/74/16/01/1043741601.db2.gz GXYUYMZIOLHPQP-INIZCTEOSA-N 1 0 311.816 4.119 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)CC[P@@](C)(=O)OCC)c1ccccc1 ZINC000877119519 1043744623 /nfs/dbraw/zinc/74/46/23/1043744623.db2.gz GYASRRWNAYQNRL-WJPUGNRLSA-N 1 0 307.374 4.064 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000355213775 1043751280 /nfs/dbraw/zinc/75/12/80/1043751280.db2.gz GBDIYTUKEIFGFR-QGZVFWFLSA-N 1 0 318.436 4.137 20 30 DIEDRO Cc1csc(C[C@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)n1 ZINC000895822878 1043761754 /nfs/dbraw/zinc/76/17/54/1043761754.db2.gz MWBVOPNFYRMYOM-OAHLLOKOSA-N 1 0 305.491 4.036 20 30 DIEDRO C[C@@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000777701430 1043769205 /nfs/dbraw/zinc/76/92/05/1043769205.db2.gz MZJUIUJRHIBLDM-GFCCVEGCSA-N 1 0 315.367 4.071 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](C)CC[P@@](C)(=O)OCC)CCCC1 ZINC000877572805 1043776969 /nfs/dbraw/zinc/77/69/69/1043776969.db2.gz LGDZMGJAVHVTON-YWZLYKJASA-N 1 0 301.411 4.436 20 30 DIEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC(C)(C)CC#N)cc1 ZINC000877582885 1043777696 /nfs/dbraw/zinc/77/76/96/1043777696.db2.gz BRHZAEZFORXNCY-UHFFFAOYSA-N 1 0 317.433 4.063 20 30 DIEDRO C[C@H](CCc1cncc2ccccc21)[NH2+]CC1(C#N)CCCC1 ZINC000877609687 1043779533 /nfs/dbraw/zinc/77/95/33/1043779533.db2.gz NBJLVOALOOOUBB-MRXNPFEDSA-N 1 0 307.441 4.229 20 30 DIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCC(C)(C)C1 ZINC000355590324 1043779957 /nfs/dbraw/zinc/77/99/57/1043779957.db2.gz ZWUZOAXLPMIQAN-QGZVFWFLSA-N 1 0 300.446 4.380 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC[P@](C)(=O)OCC ZINC000877620125 1043780849 /nfs/dbraw/zinc/78/08/49/1043780849.db2.gz PRYFZFFEPYVRDA-IHSNIMORSA-N 1 0 301.411 4.434 20 30 DIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cncc(C#N)c1 ZINC000929373730 1043815680 /nfs/dbraw/zinc/81/56/80/1043815680.db2.gz ZMOTXVKVHVMOIV-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO CCC[C@](C)(C#N)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168036900 1043820361 /nfs/dbraw/zinc/82/03/61/1043820361.db2.gz WCSVANUSWMYTCX-ABSDTBQOSA-N 1 0 313.489 4.100 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)C1CCCCCC1)c1ccccc1 ZINC000877907702 1043821671 /nfs/dbraw/zinc/82/16/71/1043821671.db2.gz BQDJFSVRSXIVJG-HXUWFJFHSA-N 1 0 312.457 4.082 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)C1CCCCCC1)c1ccccc1 ZINC000877907701 1043822714 /nfs/dbraw/zinc/82/27/14/1043822714.db2.gz BQDJFSVRSXIVJG-FQEVSTJZSA-N 1 0 312.457 4.082 20 30 DIEDRO CCCCC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C(C)C ZINC000877958247 1043828574 /nfs/dbraw/zinc/82/85/74/1043828574.db2.gz QRRABMNGZIRQBE-FQEVSTJZSA-N 1 0 314.473 4.328 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cc1OC ZINC000356287529 1043830452 /nfs/dbraw/zinc/83/04/52/1043830452.db2.gz UNJILFLNWVKGBG-LJQANCHMSA-N 1 0 313.441 4.025 20 30 DIEDRO CCCCC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C(C)C ZINC000877958256 1043830837 /nfs/dbraw/zinc/83/08/37/1043830837.db2.gz QRRABMNGZIRQBE-HXUWFJFHSA-N 1 0 314.473 4.328 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929756395 1043838059 /nfs/dbraw/zinc/83/80/59/1043838059.db2.gz FVCXYPNZTQATBC-LHKMKVQPSA-N 1 0 316.395 4.049 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC2(CCCC2)CC1)c1ccccc1 ZINC000878120936 1043849420 /nfs/dbraw/zinc/84/94/20/1043849420.db2.gz DWFFSXFCVNWFCD-NRFANRHFSA-N 1 0 324.468 4.083 20 30 DIEDRO CC[C@@](C)([NH2+]Cc1c(C)cc(C#N)cc1C)c1nc(C)cs1 ZINC000930011179 1043865873 /nfs/dbraw/zinc/86/58/73/1043865873.db2.gz YOQDHNOYDRUQSZ-GOSISDBHSA-N 1 0 313.470 4.355 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC12CCCCC2)c1ccccc1 ZINC000878307799 1043870695 /nfs/dbraw/zinc/87/06/95/1043870695.db2.gz UAGAVXGPGUUOFS-OAQYLSRUSA-N 1 0 324.468 4.226 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000356782049 1043875834 /nfs/dbraw/zinc/87/58/34/1043875834.db2.gz KHSVMHHVININDX-WMZOPIPTSA-N 1 0 323.465 4.368 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000878361060 1043876989 /nfs/dbraw/zinc/87/69/89/1043876989.db2.gz KHVGNIKFUXWDHZ-UKRRQHHQSA-N 1 0 308.372 4.065 20 30 DIEDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930126198 1043882347 /nfs/dbraw/zinc/88/23/47/1043882347.db2.gz MAXZGWLRLXLZNT-INIZCTEOSA-N 1 0 300.450 4.028 20 30 DIEDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000878398334 1043883503 /nfs/dbraw/zinc/88/35/03/1043883503.db2.gz BJZCIYMZAFIQKQ-HZUJVAHNSA-N 1 0 320.436 4.301 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC(Cc3cccnc3)CC2)CCC1 ZINC000930171388 1043887653 /nfs/dbraw/zinc/88/76/53/1043887653.db2.gz OWLXCTWRMUYUSI-UHFFFAOYSA-N 1 0 311.473 4.200 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CCCCC2(C#N)CCC2)cc1F ZINC000930186044 1043888436 /nfs/dbraw/zinc/88/84/36/1043888436.db2.gz RUHWXPZTTIZSDW-AWEZNQCLSA-N 1 0 304.409 4.349 20 30 DIEDRO CCC[C@H]1CCCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878428745 1043893262 /nfs/dbraw/zinc/89/32/62/1043893262.db2.gz VZXRRUGHULIQFQ-VQTJNVASSA-N 1 0 312.457 4.082 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC2(CCCC2)C1)c1ccccc1 ZINC000878481309 1043895521 /nfs/dbraw/zinc/89/55/21/1043895521.db2.gz OHWNCVOZJXSMFS-NRFANRHFSA-N 1 0 324.468 4.083 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C[C@H]3[C@H](c4ccccc4)C3(F)F)CC2)c1 ZINC000930218577 1043896542 /nfs/dbraw/zinc/89/65/42/1043896542.db2.gz AHXJFCQKHQRXEJ-ROUUACIJSA-N 1 0 324.374 4.186 20 30 DIEDRO COC[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000930231457 1043902353 /nfs/dbraw/zinc/90/23/53/1043902353.db2.gz REAVBCDNFJADDM-QGZVFWFLSA-N 1 0 322.399 4.106 20 30 DIEDRO CCC[N@H+](Cc1cc(Br)ccc1C#N)[C@H](C)CC ZINC001141894726 1043923015 /nfs/dbraw/zinc/92/30/15/1043923015.db2.gz RLMVHXXJRXQTQI-GFCCVEGCSA-N 1 0 309.251 4.331 20 30 DIEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC12CCC2 ZINC000329140880 1043947048 /nfs/dbraw/zinc/94/70/48/1043947048.db2.gz JUZAAYLXLRLAHM-OAHLLOKOSA-N 1 0 311.429 4.048 20 30 DIEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC12CCC2 ZINC000329140879 1043947716 /nfs/dbraw/zinc/94/77/16/1043947716.db2.gz JUZAAYLXLRLAHM-HNNXBMFYSA-N 1 0 311.429 4.048 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 ZINC000930655111 1043952428 /nfs/dbraw/zinc/95/24/28/1043952428.db2.gz NENODJBYEJMAQM-RJYAGPCLSA-N 1 0 322.456 4.420 20 30 DIEDRO CCC(CC)[N@H+](CC)Cc1cc(Br)ccc1C#N ZINC001141904986 1043971385 /nfs/dbraw/zinc/97/13/85/1043971385.db2.gz LTQOBPOFGPNXJI-UHFFFAOYSA-N 1 0 309.251 4.331 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879677975 1043982299 /nfs/dbraw/zinc/98/22/99/1043982299.db2.gz SSDRHIMPAAKFCL-IBGZPJMESA-N 1 0 313.489 4.493 20 30 DIEDRO C=C(C)CN(C)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000777961291 1043994472 /nfs/dbraw/zinc/99/44/72/1043994472.db2.gz XPGZXHANJCAFAB-UHFFFAOYSA-N 1 0 310.772 4.355 20 30 DIEDRO N#CCCN(CCc1ccc2ccccc2c1)Cc1ccco1 ZINC000357923179 1044000710 /nfs/dbraw/zinc/00/07/10/1044000710.db2.gz CRQARYZVBOBJGR-UHFFFAOYSA-N 1 0 304.393 4.391 20 30 DIEDRO C[C@H]([NH2+]CCC1Cc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000561749613 1044000852 /nfs/dbraw/zinc/00/08/52/1044000852.db2.gz XLNOJONCMDRBMS-AWEZNQCLSA-N 1 0 308.400 4.153 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)cc1C#N ZINC000880099713 1044011235 /nfs/dbraw/zinc/01/12/35/1044011235.db2.gz IUGAUNGYBSRGDO-GFCCVEGCSA-N 1 0 319.330 4.131 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)CC1 ZINC000931372779 1044017671 /nfs/dbraw/zinc/01/76/71/1044017671.db2.gz PUDWQZAQAGNVKA-JCYILVPMSA-N 1 0 322.456 4.072 20 30 DIEDRO COc1ccc2ccccc2c1CC[NH2+]C1CCC(C#N)CC1 ZINC000896814486 1044021464 /nfs/dbraw/zinc/02/14/64/1044021464.db2.gz QRMJGWHOERHCSO-UHFFFAOYSA-N 1 0 308.425 4.063 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC001168045069 1044023274 /nfs/dbraw/zinc/02/32/74/1044023274.db2.gz VTYAKEKOHHYZSA-KRWDZBQOSA-N 1 0 317.477 4.011 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC(Cc3nccs3)CC2)CCC1 ZINC000931466885 1044031693 /nfs/dbraw/zinc/03/16/93/1044031693.db2.gz ZFCDAMMPWFUKRB-UHFFFAOYSA-N 1 0 317.502 4.262 20 30 DIEDRO CC[N@H+](Cc1cc(C)c(O)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000561943213 1044032181 /nfs/dbraw/zinc/03/21/81/1044032181.db2.gz LHMSQZRYHVNKBB-INIZCTEOSA-N 1 0 308.425 4.464 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000880371944 1044033340 /nfs/dbraw/zinc/03/33/40/1044033340.db2.gz PZPMXVAQYBAYPQ-LJQANCHMSA-N 1 0 312.457 4.098 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC001227210829 1044033855 /nfs/dbraw/zinc/03/38/55/1044033855.db2.gz ZNPRWNBBTQHMCH-UHFFFAOYSA-N 1 0 306.837 4.242 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)ccc1C#N ZINC001141929413 1044034933 /nfs/dbraw/zinc/03/49/33/1044034933.db2.gz UTYGTPSVHOACHQ-GOSISDBHSA-N 1 0 323.465 4.321 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387735 1044036520 /nfs/dbraw/zinc/03/65/20/1044036520.db2.gz MGBGJZWVCZTZAD-QGZVFWFLSA-N 1 0 302.487 4.497 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000931538705 1044040242 /nfs/dbraw/zinc/04/02/42/1044040242.db2.gz UUUBIOSZMKCWGT-IBGZPJMESA-N 1 0 312.457 4.099 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000931556208 1044043399 /nfs/dbraw/zinc/04/33/99/1044043399.db2.gz MLVGVEILLQPABH-LBXVMSDZSA-N 1 0 311.473 4.102 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000358262067 1044043799 /nfs/dbraw/zinc/04/37/99/1044043799.db2.gz CXTAXCYNZMWBFT-MRXNPFEDSA-N 1 0 309.837 4.044 20 30 DIEDRO N#CC1(CCC[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)CCOCC1 ZINC000880537859 1044046847 /nfs/dbraw/zinc/04/68/47/1044046847.db2.gz ZQRXKCAQUHDXGB-LPHOPBHVSA-N 1 0 310.441 4.021 20 30 DIEDRO Cc1csc([C@@H]2CC[N@H+](CCCCC3(C#N)CCC3)C2)n1 ZINC000931614686 1044051476 /nfs/dbraw/zinc/05/14/76/1044051476.db2.gz BDOBZNQJQODEGY-OAHLLOKOSA-N 1 0 303.475 4.105 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)COC)c1ccc(C(F)(F)F)cc1 ZINC000358353511 1044058520 /nfs/dbraw/zinc/05/85/20/1044058520.db2.gz OWQDMFRELCQZCD-DOMZBBRYSA-N 1 0 301.352 4.337 20 30 DIEDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000562082403 1044062826 /nfs/dbraw/zinc/06/28/26/1044062826.db2.gz HBZIKPGXSJCYCK-NUJGCVRESA-N 1 0 300.471 4.199 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358579564 1044082613 /nfs/dbraw/zinc/08/26/13/1044082613.db2.gz WSXUCUDRYSWPGE-RNODOKPDSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000562198676 1044083584 /nfs/dbraw/zinc/08/35/84/1044083584.db2.gz JGLONINJIDGQKS-NSHDSACASA-N 1 0 324.371 4.359 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000280943511 1044086429 /nfs/dbraw/zinc/08/64/29/1044086429.db2.gz WMTLFTUBUXBQJL-JOQOYGCGSA-N 1 0 321.486 4.049 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000281001463 1044086772 /nfs/dbraw/zinc/08/67/72/1044086772.db2.gz XUBZCGBKZQNIDV-FQEVSTJZSA-N 1 0 308.425 4.277 20 30 DIEDRO CC(C)[N@H+](CCCC#N)Cc1cc(Br)ccc1F ZINC000346606639 1044122538 /nfs/dbraw/zinc/12/25/38/1044122538.db2.gz GYZVFPBBJYNSBH-UHFFFAOYSA-N 1 0 313.214 4.102 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798935487 1044092159 /nfs/dbraw/zinc/09/21/59/1044092159.db2.gz PNBUBLMGCYWVJW-PMACEKPBSA-N 1 0 300.490 4.233 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H]1CCc2cc(F)c(OC)cc21)c1ccccc1 ZINC000281146942 1044096599 /nfs/dbraw/zinc/09/65/99/1044096599.db2.gz ARZUNVDXOIJIAP-RTBURBONSA-N 1 0 309.384 4.176 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(F)ccc2C)c1 ZINC000778087049 1044127693 /nfs/dbraw/zinc/12/76/93/1044127693.db2.gz BEJQJXSZUAIKHK-GOSISDBHSA-N 1 0 312.388 4.105 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCO[C@H]1CC(C)C)c1ccc(C#N)cc1 ZINC000562603402 1044136034 /nfs/dbraw/zinc/13/60/34/1044136034.db2.gz OBFDHJBKPSOJFZ-FHWLQOOXSA-N 1 0 300.446 4.193 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000346774619 1044139574 /nfs/dbraw/zinc/13/95/74/1044139574.db2.gz FNQQNGZMFRJBNA-KRWDZBQOSA-N 1 0 303.409 4.236 20 30 DIEDRO CSC[C@H]([NH2+]CCCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000359216670 1044143723 /nfs/dbraw/zinc/14/37/23/1044143723.db2.gz FXQVKNWYSGMMHU-AWEZNQCLSA-N 1 0 316.392 4.393 20 30 DIEDRO N#CC1(c2ccccn2)CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000562708447 1044152317 /nfs/dbraw/zinc/15/23/17/1044152317.db2.gz NWNAOBFKQXGCRN-YHYXMXQVSA-N 1 0 317.436 4.042 20 30 DIEDRO C#C[C@H]([NH2+]CC1CCCCC1)c1ccc(Br)cc1 ZINC001308783783 1044186693 /nfs/dbraw/zinc/18/66/93/1044186693.db2.gz DAUYIBQCOFAPAJ-INIZCTEOSA-N 1 0 306.247 4.293 20 30 DIEDRO C#CCC1([NH2+][C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CCC1 ZINC000933304842 1044192023 /nfs/dbraw/zinc/19/20/23/1044192023.db2.gz UCIFBHDYHOFRGE-HOTGVXAUSA-N 1 0 312.457 4.063 20 30 DIEDRO C#CCC1([NH2+][C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CCC1 ZINC000933304841 1044192445 /nfs/dbraw/zinc/19/24/45/1044192445.db2.gz UCIFBHDYHOFRGE-CVEARBPZSA-N 1 0 312.457 4.063 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(F)c(F)c1 ZINC000187445666 1044193325 /nfs/dbraw/zinc/19/33/25/1044193325.db2.gz TYTMHIQAAMTBRR-SFHVURJKSA-N 1 0 319.351 4.086 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000130244810 1044195346 /nfs/dbraw/zinc/19/53/46/1044195346.db2.gz DKNGSIJXWGCYLH-CQSZACIVSA-N 1 0 312.438 4.204 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC000933605726 1044201806 /nfs/dbraw/zinc/20/18/06/1044201806.db2.gz BKBYWFLTYUZQSL-GBEXYDAJSA-N 1 0 316.395 4.029 20 30 DIEDRO CC(C)c1ccc([C@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933647823 1044203911 /nfs/dbraw/zinc/20/39/11/1044203911.db2.gz IGGJNCNLGACMBR-INIZCTEOSA-N 1 0 313.441 4.209 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000130541903 1044208169 /nfs/dbraw/zinc/20/81/69/1044208169.db2.gz YSDIMAXMEICFLN-MRXNPFEDSA-N 1 0 300.789 4.180 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000130602756 1044209711 /nfs/dbraw/zinc/20/97/11/1044209711.db2.gz NWWBXKJDAPLUDS-VIFPVBQESA-N 1 0 308.141 4.265 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@@H]1CCCO1 ZINC000883199113 1044233408 /nfs/dbraw/zinc/23/34/08/1044233408.db2.gz XEWUFVWLTRLBEK-CABCVRRESA-N 1 0 318.442 4.007 20 30 DIEDRO C=CCC[C@H](COc1ccccc1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883207118 1044235667 /nfs/dbraw/zinc/23/56/67/1044235667.db2.gz GXOUAWOSWMBSOO-ZWKOTPCHSA-N 1 0 315.457 4.092 20 30 DIEDRO COc1ccc(C#N)cc1CN[C@H](c1ncccc1C)C(C)(C)C ZINC000934290448 1044236088 /nfs/dbraw/zinc/23/60/88/1044236088.db2.gz FTWZYNNHMWLPND-LJQANCHMSA-N 1 0 323.440 4.147 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)[C@@H]1CCCO1 ZINC000883226528 1044238826 /nfs/dbraw/zinc/23/88/26/1044238826.db2.gz AEFZZXJRAKZIPS-LTIDMASMSA-N 1 0 321.486 4.072 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883244844 1044243434 /nfs/dbraw/zinc/24/34/34/1044243434.db2.gz XUWDHUBZSXKPGC-YSSFQJQWSA-N 1 0 315.432 4.075 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883244843 1044244100 /nfs/dbraw/zinc/24/41/00/1044244100.db2.gz XUWDHUBZSXKPGC-CDHQVMDDSA-N 1 0 315.432 4.075 20 30 DIEDRO CC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC(F)(F)C1 ZINC000883256507 1044247711 /nfs/dbraw/zinc/24/77/11/1044247711.db2.gz ZTTVTOGTNBTQQF-UHFFFAOYSA-N 1 0 318.411 4.416 20 30 DIEDRO COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000883265941 1044251884 /nfs/dbraw/zinc/25/18/84/1044251884.db2.gz ODCXXVRBRAYYHM-ZDUSSCGKSA-N 1 0 324.399 4.434 20 30 DIEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000934472738 1044252669 /nfs/dbraw/zinc/25/26/69/1044252669.db2.gz SPLBMIYSCKRGCW-RISCZKNCSA-N 1 0 303.793 4.101 20 30 DIEDRO COc1cccc2c1OCCC[C@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000883331143 1044278819 /nfs/dbraw/zinc/27/88/19/1044278819.db2.gz SUBFEKBTQYGTFJ-RDTXWAMCSA-N 1 0 322.408 4.131 20 30 DIEDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360646017 1044293444 /nfs/dbraw/zinc/29/34/44/1044293444.db2.gz GELVCQQPNPUJKB-XCLFUZPHSA-N 1 0 323.440 4.151 20 30 DIEDRO CCSCC[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360646343 1044295022 /nfs/dbraw/zinc/29/50/22/1044295022.db2.gz HUDOGEUKBUVMBI-KSSFIOAISA-N 1 0 302.487 4.447 20 30 DIEDRO Fc1ccc(C[NH2+]C2CC(C(F)(F)F)C2)cc1C(F)(F)F ZINC000563647242 1044295177 /nfs/dbraw/zinc/29/51/77/1044295177.db2.gz APESXKPIDYXDHZ-UHFFFAOYSA-N 1 0 315.232 4.275 20 30 DIEDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360656177 1044295435 /nfs/dbraw/zinc/29/54/35/1044295435.db2.gz GMCBHWROYHNRGW-ORAYPTAESA-N 1 0 323.440 4.324 20 30 DIEDRO C[C@@]1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCCS1 ZINC000360662035 1044295662 /nfs/dbraw/zinc/29/56/62/1044295662.db2.gz DEKHLKVUKBVQNH-ROUUACIJSA-N 1 0 300.471 4.201 20 30 DIEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000360656572 1044296135 /nfs/dbraw/zinc/29/61/35/1044296135.db2.gz IWVONDHGMCPGPP-RLLQIKCJSA-N 1 0 312.457 4.119 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 ZINC000360654975 1044297349 /nfs/dbraw/zinc/29/73/49/1044297349.db2.gz BCLRZMGDBGMVLD-UXHICEINSA-N 1 0 305.425 4.462 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000883390675 1044302025 /nfs/dbraw/zinc/30/20/25/1044302025.db2.gz RGXWEEMBTGDSOZ-RISCZKNCSA-N 1 0 322.499 4.158 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000563693200 1044303691 /nfs/dbraw/zinc/30/36/91/1044303691.db2.gz LSZVHUKZZZRPOG-HNNXBMFYSA-N 1 0 300.358 4.293 20 30 DIEDRO N#Cc1ccc(CNc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000883404390 1044305030 /nfs/dbraw/zinc/30/50/30/1044305030.db2.gz YVABOCNGNNKTIL-UHFFFAOYSA-N 1 0 311.454 4.218 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCOC1CCCC1 ZINC000360836865 1044315063 /nfs/dbraw/zinc/31/50/63/1044315063.db2.gz NMBJVUPSVGSTGQ-HXUWFJFHSA-N 1 0 312.457 4.265 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[C@H]1CCCCO1 ZINC000360881651 1044321599 /nfs/dbraw/zinc/32/15/99/1044321599.db2.gz CEMNZMTVHSJWHF-UYAOXDASSA-N 1 0 312.457 4.265 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000523011706 1044322013 /nfs/dbraw/zinc/32/20/13/1044322013.db2.gz ZZVSRLACDJMWBR-UHFFFAOYSA-N 1 0 308.425 4.337 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCCCS1 ZINC000360874406 1044322931 /nfs/dbraw/zinc/32/29/31/1044322931.db2.gz SNUZGIUZHVYUAY-SJLPKXTDSA-N 1 0 300.471 4.201 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000609741577 1044329810 /nfs/dbraw/zinc/32/98/10/1044329810.db2.gz ROWYJMUKPURGDD-GFCCVEGCSA-N 1 0 302.399 4.378 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000564144997 1044348211 /nfs/dbraw/zinc/34/82/11/1044348211.db2.gz YJLRSIHBHAGWMJ-QRWLVFNGSA-N 1 0 308.400 4.475 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000935606876 1044350574 /nfs/dbraw/zinc/35/05/74/1044350574.db2.gz VXTIXPONGPCMFK-SFHVURJKSA-N 1 0 314.473 4.350 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000475335145 1044367149 /nfs/dbraw/zinc/36/71/49/1044367149.db2.gz LXXQMRGZCKDKLY-HOCLYGCPSA-N 1 0 300.402 4.185 20 30 DIEDRO CCCCCCCCCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000778406912 1044372188 /nfs/dbraw/zinc/37/21/88/1044372188.db2.gz JRRVOHCDZYPEIQ-QGZVFWFLSA-N 1 0 310.526 4.316 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000361230918 1044376712 /nfs/dbraw/zinc/37/67/12/1044376712.db2.gz RBUFTZNECFTZTI-CJNGLKHVSA-N 1 0 322.543 4.304 20 30 DIEDRO C=CC[N@@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C1CC1 ZINC000348259581 1044377557 /nfs/dbraw/zinc/37/75/57/1044377557.db2.gz GSBNYVJTRORBTM-UHFFFAOYSA-N 1 0 321.346 4.042 20 30 DIEDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1(C)C ZINC000361235586 1044378485 /nfs/dbraw/zinc/37/84/85/1044378485.db2.gz CUSPRZKODUDCAP-OKZBNKHCSA-N 1 0 300.446 4.213 20 30 DIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000564664448 1044396458 /nfs/dbraw/zinc/39/64/58/1044396458.db2.gz RJGQAIVAQIWELI-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO CCCCN(CC#N)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064923 1044399491 /nfs/dbraw/zinc/39/94/91/1044399491.db2.gz SIXRZSFFZCJRPU-ROUUACIJSA-N 1 0 313.489 4.054 20 30 DIEDRO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(CCC#N)CC1 ZINC000564915695 1044408715 /nfs/dbraw/zinc/40/87/15/1044408715.db2.gz AHIOSUQGJMGKNS-ZDUSSCGKSA-N 1 0 308.372 4.365 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000133529472 1044411609 /nfs/dbraw/zinc/41/16/09/1044411609.db2.gz KIGCSFDRNBSIIP-UZLBHIALSA-N 1 0 321.420 4.263 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2cccnc2)cc1 ZINC000133555757 1044412888 /nfs/dbraw/zinc/41/28/88/1044412888.db2.gz CIWDCLDASWQLEP-OAHLLOKOSA-N 1 0 316.832 4.106 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000565458049 1044436465 /nfs/dbraw/zinc/43/64/65/1044436465.db2.gz LWZSUGACCQSOHY-KONDSOJQSA-N 1 0 317.436 4.411 20 30 DIEDRO C[C@H]([N@H+](C)Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC000565810611 1044459524 /nfs/dbraw/zinc/45/95/24/1044459524.db2.gz KNQOHLRLTHTBME-NSHDSACASA-N 1 0 309.251 4.187 20 30 DIEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC001202676348 1044461104 /nfs/dbraw/zinc/46/11/04/1044461104.db2.gz KTXCAFJUOYFTJD-APWZRJJASA-N 1 0 300.446 4.428 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000566216480 1044478937 /nfs/dbraw/zinc/47/89/37/1044478937.db2.gz AHKAYYRJDAMWOG-UHFFFAOYSA-N 1 0 320.436 4.364 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000362260714 1044494633 /nfs/dbraw/zinc/49/46/33/1044494633.db2.gz YFZDGHGEZLNZLT-GOSISDBHSA-N 1 0 300.446 4.074 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000566649684 1044505127 /nfs/dbraw/zinc/50/51/27/1044505127.db2.gz MNMDHXAICSBCQQ-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)c2ccccc2)cc1 ZINC000303786940 1044510044 /nfs/dbraw/zinc/51/00/44/1044510044.db2.gz RWJSDPURFAXPHB-HNNXBMFYSA-N 1 0 311.429 4.004 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000186608707 1044511009 /nfs/dbraw/zinc/51/10/09/1044511009.db2.gz RKDWOXKMDMYYBP-HNNXBMFYSA-N 1 0 304.393 4.114 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@](C)(OC)CC2)cc1Cl ZINC000475572186 1044515855 /nfs/dbraw/zinc/51/58/55/1044515855.db2.gz OLODAGMXIUIODJ-SFHVURJKSA-N 1 0 323.864 4.296 20 30 DIEDRO C=C(Br)C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000134402542 1044527307 /nfs/dbraw/zinc/52/73/07/1044527307.db2.gz KVBQSFFRVAIEFO-UHFFFAOYSA-N 1 0 302.215 4.352 20 30 DIEDRO C=C[C@@H](CC)CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001625949154 1044538982 /nfs/dbraw/zinc/53/89/82/1044538982.db2.gz WECKFUOMCKIVAA-KRWDZBQOSA-N 1 0 314.473 4.459 20 30 DIEDRO C=CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1C)c1ccccc1 ZINC000909603234 1044543307 /nfs/dbraw/zinc/54/33/07/1044543307.db2.gz ZZCSLBIPDJGNAQ-LJQANCHMSA-N 1 0 322.452 4.355 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000567371333 1044559791 /nfs/dbraw/zinc/55/97/91/1044559791.db2.gz SVGAYLLMJFEQTA-MSOLQXFVSA-N 1 0 308.416 4.044 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2nc(Cl)ccc21)c1ccc(C#N)cc1 ZINC000295861785 1044568122 /nfs/dbraw/zinc/56/81/22/1044568122.db2.gz GPZZBWDBPLYHKW-LRDDRELGSA-N 1 0 311.816 4.335 20 30 DIEDRO CC(C)OCc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000567570868 1044574584 /nfs/dbraw/zinc/57/45/84/1044574584.db2.gz KSKJHICHOZTNMO-UHFFFAOYSA-N 1 0 300.446 4.174 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000444613121 1044575477 /nfs/dbraw/zinc/57/54/77/1044575477.db2.gz TXIXZMVLXKQKAF-MRXNPFEDSA-N 1 0 314.429 4.272 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)CCOc1cccc(Cl)c1 ZINC000444597700 1044577326 /nfs/dbraw/zinc/57/73/26/1044577326.db2.gz OFAVRCLPAPKIJT-UHFFFAOYSA-N 1 0 308.853 4.371 20 30 DIEDRO CC[N@H+](CCCCC(C)(C)C#N)Cc1ccc(OC)cc1OC ZINC000444597698 1044578295 /nfs/dbraw/zinc/57/82/95/1044578295.db2.gz OEVXLGFXXDWALA-UHFFFAOYSA-N 1 0 318.461 4.246 20 30 DIEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000444630369 1044578851 /nfs/dbraw/zinc/57/88/51/1044578851.db2.gz ZRGQPUHWMHGZMQ-SFHVURJKSA-N 1 0 314.473 4.422 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000567869244 1044586810 /nfs/dbraw/zinc/58/68/10/1044586810.db2.gz RLOSUXAKNWHTAF-IBGZPJMESA-N 1 0 316.514 4.026 20 30 DIEDRO C=C(C)[C@@H](NCCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000444642568 1044592116 /nfs/dbraw/zinc/59/21/16/1044592116.db2.gz RKYGUGNRXBRAQB-GOSISDBHSA-N 1 0 308.416 4.048 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000444664953 1044594616 /nfs/dbraw/zinc/59/46/16/1044594616.db2.gz OUPBUOQUYCXKBO-FGTMMUONSA-N 1 0 305.510 4.044 20 30 DIEDRO CCCCCCC[C@@H](C)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000885935925 1044595065 /nfs/dbraw/zinc/59/50/65/1044595065.db2.gz WGDXOHUTWWNGKJ-MSOLQXFVSA-N 1 0 311.510 4.301 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccncc1 ZINC000885988452 1044596998 /nfs/dbraw/zinc/59/69/98/1044596998.db2.gz JXCFLZKIIYUXJQ-MSOLQXFVSA-N 1 0 300.446 4.170 20 30 DIEDRO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCCCC(C)(C)C#N ZINC000444681581 1044599890 /nfs/dbraw/zinc/59/98/90/1044599890.db2.gz VKWAMHVRMKQUAF-AEFFLSMTSA-N 1 0 300.446 4.168 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000444688761 1044602543 /nfs/dbraw/zinc/60/25/43/1044602543.db2.gz KWSYZIXHXYJOAS-IBGZPJMESA-N 1 0 314.473 4.040 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCOC4(CCCCC4)C3)CC2)c1 ZINC000886040924 1044602913 /nfs/dbraw/zinc/60/29/13/1044602913.db2.gz HNFUJQHGKXIOTF-SFHVURJKSA-N 1 0 310.441 4.019 20 30 DIEDRO COc1cccc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000444703882 1044607660 /nfs/dbraw/zinc/60/76/60/1044607660.db2.gz KLKBVOYNJAVARD-UHFFFAOYSA-N 1 0 323.411 4.065 20 30 DIEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Br)s1 ZINC000444761318 1044616702 /nfs/dbraw/zinc/61/67/02/1044616702.db2.gz MCQLZUSOLFUSQW-JTQLQIEISA-N 1 0 315.280 4.491 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCOC4(CCCCC4)C3)CCC2)cc1 ZINC000886156161 1044619885 /nfs/dbraw/zinc/61/98/85/1044619885.db2.gz YXIUSQCGOVOQEK-IBGZPJMESA-N 1 0 324.468 4.409 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000568393078 1044622359 /nfs/dbraw/zinc/62/23/59/1044622359.db2.gz WFGOGAKZFMJCQE-HXUWFJFHSA-N 1 0 315.420 4.401 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cscc2Cl)c1 ZINC000886199511 1044625053 /nfs/dbraw/zinc/62/50/53/1044625053.db2.gz ZEOBXJDGJQGBEO-UHFFFAOYSA-N 1 0 320.845 4.374 20 30 DIEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000568465706 1044627168 /nfs/dbraw/zinc/62/71/68/1044627168.db2.gz ZFXDDBYGDIDBBA-FQEVSTJZSA-N 1 0 321.424 4.079 20 30 DIEDRO C=CCc1cc(C[N@H+](C)[C@H]2CCc3ccccc32)c(O)c(OC)c1 ZINC000218803271 1044628710 /nfs/dbraw/zinc/62/87/10/1044628710.db2.gz DTGBDXGCCCRGNV-IBGZPJMESA-N 1 0 323.436 4.249 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc(SC)c(C#N)c2)s1 ZINC000886277382 1044628779 /nfs/dbraw/zinc/62/87/79/1044628779.db2.gz OUKMKSLJUKRVFV-UHFFFAOYSA-N 1 0 320.508 4.353 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000886360569 1044634567 /nfs/dbraw/zinc/63/45/67/1044634567.db2.gz YBXOTFNJVRSIQI-AWEZNQCLSA-N 1 0 314.816 4.149 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(-c3cccs3)cc2)CCOCC1 ZINC000886379061 1044639665 /nfs/dbraw/zinc/63/96/65/1044639665.db2.gz LPHXEPYEUJIJDU-UHFFFAOYSA-N 1 0 311.450 4.077 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886617770 1044670147 /nfs/dbraw/zinc/67/01/47/1044670147.db2.gz YCOAJRAIELSBIK-XAYKYTGQSA-N 1 0 311.404 4.356 20 30 DIEDRO COc1ccc2cc(CN(C)Cc3ccccc3C#N)ccc2c1 ZINC000007805783 1044678824 /nfs/dbraw/zinc/67/88/24/1044678824.db2.gz JLLQTELQNPYTRY-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)cc1C#N ZINC000886688589 1044681031 /nfs/dbraw/zinc/68/10/31/1044681031.db2.gz VTSIYRIYXMGGJN-ZDUSSCGKSA-N 1 0 324.449 4.066 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)cc1C#N ZINC000886688168 1044682092 /nfs/dbraw/zinc/68/20/92/1044682092.db2.gz LSIDHGVLEKFZLK-LBPRGKRZSA-N 1 0 300.427 4.341 20 30 DIEDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717312 1044691678 /nfs/dbraw/zinc/69/16/78/1044691678.db2.gz ZMXUGMOQZABCNH-ZIAGYGMSSA-N 1 0 324.428 4.007 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000569326413 1044695320 /nfs/dbraw/zinc/69/53/20/1044695320.db2.gz VNUYGGIKRCXBKC-PKOBYXMFSA-N 1 0 306.409 4.047 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1(CC#N)CCCC1 ZINC001257561584 1044695427 /nfs/dbraw/zinc/69/54/27/1044695427.db2.gz QLFHIRFZGMKRLA-ZDUSSCGKSA-N 1 0 321.262 4.196 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccc(F)cc2O1 ZINC000366245882 1044716045 /nfs/dbraw/zinc/71/60/45/1044716045.db2.gz KNWFTLTYZFOIDD-OAHLLOKOSA-N 1 0 316.401 4.151 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccco1 ZINC000569948980 1044722522 /nfs/dbraw/zinc/72/25/22/1044722522.db2.gz BWPNFNCMACOHLM-QZTJIDSGSA-N 1 0 316.420 4.319 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)o1)Cc1cccc(-c2ccncc2)c1 ZINC000367657363 1044749963 /nfs/dbraw/zinc/74/99/63/1044749963.db2.gz IIDLPQKTXKHYSK-UHFFFAOYSA-N 1 0 317.392 4.235 20 30 DIEDRO C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(CC#N)cc1 ZINC000570569402 1044767749 /nfs/dbraw/zinc/76/77/49/1044767749.db2.gz RUXZVMPOPQTOOS-OAHLLOKOSA-N 1 0 304.393 4.220 20 30 DIEDRO CC(C)n1ncc2c1[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000368158817 1044767948 /nfs/dbraw/zinc/76/79/48/1044767948.db2.gz JAONHXNYFXHSTH-RDTXWAMCSA-N 1 0 308.429 4.064 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@]1(C)CCCO1 ZINC000570640366 1044771770 /nfs/dbraw/zinc/77/17/70/1044771770.db2.gz JWFOTJISYBVKDA-KKSFZXQISA-N 1 0 320.436 4.272 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2(c3ccccc3)CCCCC2)n1 ZINC000570671495 1044773848 /nfs/dbraw/zinc/77/38/48/1044773848.db2.gz TUGOOLXFSIYDML-UHFFFAOYSA-N 1 0 311.454 4.006 20 30 DIEDRO C[C@@H](CC[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000368518838 1044779194 /nfs/dbraw/zinc/77/91/94/1044779194.db2.gz NRGFWYMCVGKXDG-SFHVURJKSA-N 1 0 319.452 4.133 20 30 DIEDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123528896 1044785948 /nfs/dbraw/zinc/78/59/48/1044785948.db2.gz YBMDNBBCAIJJMD-KRWDZBQOSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123529099 1044786215 /nfs/dbraw/zinc/78/62/15/1044786215.db2.gz YBMDNBBCAIJJMD-QGZVFWFLSA-N 1 0 324.428 4.009 20 30 DIEDRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(CCC#N)CC3)cc2)n1 ZINC000570926004 1044792522 /nfs/dbraw/zinc/79/25/22/1044792522.db2.gz QODQIVZXEYKUJO-UHFFFAOYSA-N 1 0 322.456 4.005 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000475633559 1044794000 /nfs/dbraw/zinc/79/40/00/1044794000.db2.gz GTOKOXZLODFXKF-IINYFYTJSA-N 1 0 321.770 4.337 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445905186 1044848577 /nfs/dbraw/zinc/84/85/77/1044848577.db2.gz WWMXRRYQWWUHMX-CQSZACIVSA-N 1 0 310.235 4.171 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000264131499 1044853901 /nfs/dbraw/zinc/85/39/01/1044853901.db2.gz MRXMDCKRCOPHHI-LJQANCHMSA-N 1 0 310.372 4.065 20 30 DIEDRO C=CCc1cc(C[N@H+](Cc2ccccc2)C2CC2)c(O)c(OC)c1 ZINC000887562275 1044855597 /nfs/dbraw/zinc/85/55/97/1044855597.db2.gz PEXLDFRSDBLHHZ-UHFFFAOYSA-N 1 0 323.436 4.294 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000572923138 1044883334 /nfs/dbraw/zinc/88/33/34/1044883334.db2.gz NCVFEIIZXRCJJD-UHFFFAOYSA-N 1 0 303.381 4.054 20 30 DIEDRO N#CCCC1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000572957681 1044887265 /nfs/dbraw/zinc/88/72/65/1044887265.db2.gz QIXLIIVFDVCEQY-UHFFFAOYSA-N 1 0 308.425 4.234 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000264548057 1044889265 /nfs/dbraw/zinc/88/92/65/1044889265.db2.gz KJAJMMGTEFMTCM-UHFFFAOYSA-N 1 0 314.816 4.267 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000264558885 1044894983 /nfs/dbraw/zinc/89/49/83/1044894983.db2.gz NQXAMGVDMMYZBD-IBGZPJMESA-N 1 0 310.372 4.065 20 30 DIEDRO COc1cc(CC[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1Cl ZINC000573151787 1044896485 /nfs/dbraw/zinc/89/64/85/1044896485.db2.gz UFIPZDOIYONECM-CYBMUJFWSA-N 1 0 314.816 4.114 20 30 DIEDRO C=CCCC[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC001168086475 1044902516 /nfs/dbraw/zinc/90/25/16/1044902516.db2.gz QMBDUTLZFISHAJ-IEWDOMPSSA-N 1 0 320.521 4.137 20 30 DIEDRO C=CCCC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000573552551 1044913249 /nfs/dbraw/zinc/91/32/49/1044913249.db2.gz KIZMWTRRYYUSSQ-UHFFFAOYSA-N 1 0 317.864 4.257 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000573665831 1044917240 /nfs/dbraw/zinc/91/72/40/1044917240.db2.gz AVBVMYYIULYEJR-AWEZNQCLSA-N 1 0 316.470 4.280 20 30 DIEDRO Cc1ccc(-c2cc(C[NH2+][C@H](C)c3ccc(C#N)cc3)on2)cc1 ZINC000573902334 1044931315 /nfs/dbraw/zinc/93/13/15/1044931315.db2.gz APNKSFVZECVDSC-OAHLLOKOSA-N 1 0 317.392 4.373 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000373106790 1044942193 /nfs/dbraw/zinc/94/21/93/1044942193.db2.gz MQRIQSWSECACLD-FQEVSTJZSA-N 1 0 312.457 4.228 20 30 DIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000136603762 1044988095 /nfs/dbraw/zinc/98/80/95/1044988095.db2.gz MWFFEQXUEJFVBW-OXQOHEQNSA-N 1 0 308.425 4.348 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCO[C@@H]1CCCCO1)c1ccccc1 ZINC000338286303 1044990912 /nfs/dbraw/zinc/99/09/12/1044990912.db2.gz KYHVVJMHSXRSRQ-RTBURBONSA-N 1 0 303.446 4.217 20 30 DIEDRO COc1ccccc1[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411291522 1044993399 /nfs/dbraw/zinc/99/33/99/1044993399.db2.gz KVXFEXRPVUFYGG-QGZVFWFLSA-N 1 0 312.457 4.349 20 30 DIEDRO CCc1nc2cc(C[NH2+]CC(C)(C)CCC#N)ccc2n1C1CC1 ZINC000338454615 1044997927 /nfs/dbraw/zinc/99/79/27/1044997927.db2.gz JHBOBDMAVPJIBO-UHFFFAOYSA-N 1 0 324.472 4.353 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccco1 ZINC000373700358 1045004143 /nfs/dbraw/zinc/00/41/43/1045004143.db2.gz MJDVDYJJKBCEGN-QGZVFWFLSA-N 1 0 307.397 4.262 20 30 DIEDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCC2(C#N)CCCCC2)c1 ZINC000411440366 1045008638 /nfs/dbraw/zinc/00/86/38/1045008638.db2.gz RWIWCBMFFDYZEK-OAHLLOKOSA-N 1 0 316.445 4.219 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC000925185563 1045016327 /nfs/dbraw/zinc/01/63/27/1045016327.db2.gz DFZJZMKNXWBMOU-UHOSZYNNSA-N 1 0 314.473 4.381 20 30 DIEDRO COCc1ccc([C@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)o1 ZINC000411538305 1045019267 /nfs/dbraw/zinc/01/92/67/1045019267.db2.gz DLSXFMNUYPCDJF-QGZVFWFLSA-N 1 0 316.445 4.427 20 30 DIEDRO C[C@H](CCC#N)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000411623663 1045019896 /nfs/dbraw/zinc/01/98/96/1045019896.db2.gz SWLKDZXBOPEJAD-CYBMUJFWSA-N 1 0 321.262 4.321 20 30 DIEDRO Cc1cnc(C2CC[NH+](CCC3(C#N)CCCCC3)CC2)s1 ZINC000411632195 1045020199 /nfs/dbraw/zinc/02/01/99/1045020199.db2.gz DVKMEZGSSJZOIC-UHFFFAOYSA-N 1 0 317.502 4.495 20 30 DIEDRO C[C@@H](CCC#N)N(C)Cc1cc(Br)ccc1Cl ZINC000411631550 1045020452 /nfs/dbraw/zinc/02/04/52/1045020452.db2.gz MQNVTLLNANMVOZ-JTQLQIEISA-N 1 0 315.642 4.227 20 30 DIEDRO CC1CCC([N@@H+](Cc2ccc(C#N)cc2)C[C@@H]2CCCO2)CC1 ZINC000525273833 1045022264 /nfs/dbraw/zinc/02/22/64/1045022264.db2.gz XSMZGKOCLHSZFO-GQOXECLESA-N 1 0 312.457 4.118 20 30 DIEDRO C[C@@H](CCC#N)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000411679621 1045023608 /nfs/dbraw/zinc/02/36/08/1045023608.db2.gz VSRPOPTUOISFCF-ZDUSSCGKSA-N 1 0 321.262 4.321 20 30 DIEDRO N#CC1(CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CCCCC1 ZINC000411659706 1045023921 /nfs/dbraw/zinc/02/39/21/1045023921.db2.gz HMRWPAWZNWBPPT-GUDVDZBRSA-N 1 0 318.505 4.256 20 30 DIEDRO C[C@H](CCC#N)[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000411720777 1045025769 /nfs/dbraw/zinc/02/57/69/1045025769.db2.gz NTOIWZQQDRIPIJ-CQSZACIVSA-N 1 0 313.470 4.342 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374062280 1045027775 /nfs/dbraw/zinc/02/77/75/1045027775.db2.gz BVYXJPLNJOLMKS-KRWDZBQOSA-N 1 0 301.821 4.117 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CCCC1 ZINC000153679321 1045058942 /nfs/dbraw/zinc/05/89/42/1045058942.db2.gz ZOYIIDHDNLAXFQ-UHFFFAOYSA-N 1 0 316.445 4.142 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000525405105 1045061960 /nfs/dbraw/zinc/06/19/60/1045061960.db2.gz VJRWYQJHXSVCCY-ZDUSSCGKSA-N 1 0 317.864 4.256 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000153720835 1045062347 /nfs/dbraw/zinc/06/23/47/1045062347.db2.gz YUKSZOKUGRQIRO-UGSOOPFHSA-N 1 0 309.369 4.268 20 30 DIEDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000576557763 1045066397 /nfs/dbraw/zinc/06/63/97/1045066397.db2.gz FDMRYIJZJYGMIZ-GFCCVEGCSA-N 1 0 308.347 4.342 20 30 DIEDRO CC(C)O[C@H](C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000428458767 1045066662 /nfs/dbraw/zinc/06/66/62/1045066662.db2.gz JFDJCPBUSAYUDU-HXUWFJFHSA-N 1 0 308.425 4.156 20 30 DIEDRO CC(C)[N@@H+](Cc1cccc(OCCCC#N)c1)CC1CCC1 ZINC000446921310 1045071645 /nfs/dbraw/zinc/07/16/45/1045071645.db2.gz GDMPYSVEJVEPCJ-UHFFFAOYSA-N 1 0 300.446 4.380 20 30 DIEDRO C=CCOc1ccc(C[N@H+](CC)Cc2ccncc2)cc1Cl ZINC000576742664 1045079170 /nfs/dbraw/zinc/07/91/70/1045079170.db2.gz ZUAOSPPLVUEFGJ-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)cc2F)CCCCC1 ZINC000412570397 1045093690 /nfs/dbraw/zinc/09/36/90/1045093690.db2.gz IGQULYXTWZZEFF-UHFFFAOYSA-N 1 0 318.436 4.352 20 30 DIEDRO Cc1ccccc1-c1cnc(C[NH+]2CCC(CCC#N)CC2)o1 ZINC000577059460 1045098138 /nfs/dbraw/zinc/09/81/38/1045098138.db2.gz QMLPXBCYQOWFRC-UHFFFAOYSA-N 1 0 309.413 4.166 20 30 DIEDRO CC#CC[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000525633191 1045102046 /nfs/dbraw/zinc/10/20/46/1045102046.db2.gz QLUQERXTKCIJFQ-UHFFFAOYSA-N 1 0 314.404 4.149 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001126624792 1045105960 /nfs/dbraw/zinc/10/59/60/1045105960.db2.gz GDTKRDJWJAQFSS-OKZBNKHCSA-N 1 0 310.526 4.362 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000577246360 1045110486 /nfs/dbraw/zinc/11/04/86/1045110486.db2.gz BKWYHOCQLNKNLD-UHFFFAOYSA-N 1 0 321.417 4.225 20 30 DIEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CC1 ZINC000600683322 1045126806 /nfs/dbraw/zinc/12/68/06/1045126806.db2.gz SFAZEVVGNZBHRR-JKSUJKDBSA-N 1 0 314.473 4.425 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001256830964 1045133912 /nfs/dbraw/zinc/13/39/12/1045133912.db2.gz NKAOXTJJKKIZSK-YDHLFZDLSA-N 1 0 321.262 4.052 20 30 DIEDRO N#CC1CCC([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001256955970 1045138724 /nfs/dbraw/zinc/13/87/24/1045138724.db2.gz FOLBXURCGITNBU-UHFFFAOYSA-N 1 0 300.299 4.016 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447537596 1045141808 /nfs/dbraw/zinc/14/18/08/1045141808.db2.gz XDVJSIFPVXDHRY-HXUWFJFHSA-N 1 0 324.424 4.077 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)COc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447541973 1045143373 /nfs/dbraw/zinc/14/33/73/1045143373.db2.gz HSNIZOLHKOISQB-LIRRHRJNSA-N 1 0 312.388 4.206 20 30 DIEDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000447549535 1045145827 /nfs/dbraw/zinc/14/58/27/1045145827.db2.gz FGORLGDBLNJCBD-IFXJQAMLSA-N 1 0 312.388 4.126 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000577665935 1045154970 /nfs/dbraw/zinc/15/49/70/1045154970.db2.gz KBUJNTUAVNUWFJ-GBLZOACLSA-N 1 0 324.399 4.050 20 30 DIEDRO N#C[C@H]1CCC[C@H](Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000447575130 1045156517 /nfs/dbraw/zinc/15/65/17/1045156517.db2.gz QNRJCLRAHOCIDB-ICSRJNTNSA-N 1 0 311.473 4.209 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H](C)CC(C)(C)C#N)ccc1OC(C)C ZINC000924611669 1045183276 /nfs/dbraw/zinc/18/32/76/1045183276.db2.gz CJYQGNDNQFJDDL-CABCVRRESA-N 1 0 318.461 4.461 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000601137623 1045192497 /nfs/dbraw/zinc/19/24/97/1045192497.db2.gz ZSOJQWUSCFMCTC-UHFFFAOYSA-N 1 0 302.365 4.329 20 30 DIEDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000527105997 1045195883 /nfs/dbraw/zinc/19/58/83/1045195883.db2.gz MOZCIGCQXHHOPV-JKSUJKDBSA-N 1 0 308.425 4.158 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3ccnc4ccccc43)CC2)C1 ZINC000578023101 1045198706 /nfs/dbraw/zinc/19/87/06/1045198706.db2.gz PCOWJDBKDZQLDU-DOTOQJQBSA-N 1 0 305.425 4.106 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)c1ccc(C#N)cc1 ZINC000221118974 1045199215 /nfs/dbraw/zinc/19/92/15/1045199215.db2.gz FPFSUEOUEDHSRP-JTQLQIEISA-N 1 0 306.196 4.111 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(Cl)s1)c1cccc(C#N)c1[O-] ZINC000924813798 1045201314 /nfs/dbraw/zinc/20/13/14/1045201314.db2.gz NLZMUICCVDVMTA-ZDUSSCGKSA-N 1 0 306.818 4.220 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@H]1CCCc2ncccc21)c1ccccc1 ZINC000601279512 1045209613 /nfs/dbraw/zinc/20/96/13/1045209613.db2.gz YVHGYTYXEXYFIV-QUCCMNQESA-N 1 0 305.425 4.484 20 30 DIEDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000601272773 1045210506 /nfs/dbraw/zinc/21/05/06/1045210506.db2.gz KTBXAXMLGAIAIL-UXHICEINSA-N 1 0 306.409 4.317 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601276891 1045211068 /nfs/dbraw/zinc/21/10/68/1045211068.db2.gz QYEYBSNNBUPTKH-GGPKGHCWSA-N 1 0 305.425 4.037 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000601305030 1045214346 /nfs/dbraw/zinc/21/43/46/1045214346.db2.gz RAGDMGHQPZGCGY-BLLLJJGKSA-N 1 0 321.380 4.207 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925030288 1045220477 /nfs/dbraw/zinc/22/04/77/1045220477.db2.gz VYIYLLWBHDLTBM-OAHLLOKOSA-N 1 0 311.429 4.024 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)N[C@@H](C)c1ccccc1 ZINC000925057759 1045222004 /nfs/dbraw/zinc/22/20/04/1045222004.db2.gz MAHPFEXQSSVGHC-CVEARBPZSA-N 1 0 301.478 4.034 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(C(C)(C)O)cc1)c1ccncc1 ZINC000925073088 1045222141 /nfs/dbraw/zinc/22/21/41/1045222141.db2.gz AAEXLBYCCQDMRI-DNVCBOLYSA-N 1 0 310.441 4.277 20 30 DIEDRO Cc1cnc(CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)c1 ZINC000578352995 1045233850 /nfs/dbraw/zinc/23/38/50/1045233850.db2.gz QBHLGONOBMRAKX-CTNGQTDRSA-N 1 0 319.452 4.013 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000448369940 1045238127 /nfs/dbraw/zinc/23/81/27/1045238127.db2.gz DBQBPPNUOWJEQB-ZBFHGGJFSA-N 1 0 323.864 4.030 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000578492368 1045249064 /nfs/dbraw/zinc/24/90/64/1045249064.db2.gz KGDNVYUGQLJRIC-GJZGRUSLSA-N 1 0 305.462 4.278 20 30 DIEDRO CCCOc1cc(C)ccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000578684793 1045264557 /nfs/dbraw/zinc/26/45/57/1045264557.db2.gz WHPGUGQAOIZOCF-FQEVSTJZSA-N 1 0 320.436 4.433 20 30 DIEDRO COCCC1CC[NH+]([C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000527931540 1045286133 /nfs/dbraw/zinc/28/61/33/1045286133.db2.gz BNFQIYQXBJEJKM-HXUWFJFHSA-N 1 0 312.457 4.074 20 30 DIEDRO CCOc1c(Cl)cccc1C[NH+]1CCC(CCC#N)CC1 ZINC000579232542 1045301472 /nfs/dbraw/zinc/30/14/72/1045301472.db2.gz GNBVBOIDDRJFGH-UHFFFAOYSA-N 1 0 306.837 4.254 20 30 DIEDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000117393274 1045302143 /nfs/dbraw/zinc/30/21/43/1045302143.db2.gz IQDGQBVXZIRUPK-FUHWJXTLSA-N 1 0 318.486 4.133 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000579582646 1045324196 /nfs/dbraw/zinc/32/41/96/1045324196.db2.gz JHKBIVFDRCGWKX-PZJWPPBQSA-N 1 0 317.436 4.394 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1SCCc3ccccc31)CC2 ZINC000579652356 1045329401 /nfs/dbraw/zinc/32/94/01/1045329401.db2.gz ZICQGRZYVABCNK-WOJBJXKFSA-N 1 0 320.461 4.166 20 30 DIEDRO C[C@H](CN(CCC#N)Cc1ccco1)c1cc(F)cc(F)c1 ZINC000449004335 1045332654 /nfs/dbraw/zinc/33/26/54/1045332654.db2.gz XJGOYESVMQDUMG-CYBMUJFWSA-N 1 0 304.340 4.077 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCSc2ccc(Cl)cc2)CC1 ZINC000449063476 1045338912 /nfs/dbraw/zinc/33/89/12/1045338912.db2.gz PKZVZAMQOLGPNG-UHFFFAOYSA-N 1 0 308.878 4.494 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000449069173 1045343221 /nfs/dbraw/zinc/34/32/21/1045343221.db2.gz FEPOWBGWWXCRTO-UHFFFAOYSA-N 1 0 312.335 4.147 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000449070292 1045343326 /nfs/dbraw/zinc/34/33/26/1045343326.db2.gz JNRMAAOLIMEPOW-YAJUMTOWSA-N 1 0 304.434 4.425 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)cc1 ZINC000189371584 1045346266 /nfs/dbraw/zinc/34/62/66/1045346266.db2.gz LAIGGSAKUXKQDJ-OXJNMPFZSA-N 1 0 321.420 4.181 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(-c3ccncc3)cc2)CC1 ZINC000449155843 1045353190 /nfs/dbraw/zinc/35/31/90/1045353190.db2.gz MNQWMPVTVBQVGF-UHFFFAOYSA-N 1 0 305.425 4.311 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449174833 1045354405 /nfs/dbraw/zinc/35/44/05/1045354405.db2.gz NCPGLXUNXVIANR-XBMUEBEBSA-N 1 0 302.437 4.455 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@H]2[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449184263 1045359964 /nfs/dbraw/zinc/35/99/64/1045359964.db2.gz MJVPEAIVXXXPII-WBFXSEPVSA-N 1 0 312.457 4.277 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449184262 1045360406 /nfs/dbraw/zinc/36/04/06/1045360406.db2.gz MJVPEAIVXXXPII-NUVZVAJJSA-N 1 0 312.457 4.277 20 30 DIEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000449201536 1045362480 /nfs/dbraw/zinc/36/24/80/1045362480.db2.gz IOLZAJCBKLNCNW-QAPCUYQASA-N 1 0 323.396 4.160 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000449222201 1045364799 /nfs/dbraw/zinc/36/47/99/1045364799.db2.gz VTGNKJCYFXWZBR-MAUKXSAKSA-N 1 0 315.436 4.373 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000449227959 1045365462 /nfs/dbraw/zinc/36/54/62/1045365462.db2.gz WVSICAQTJBNIFL-HNNXBMFYSA-N 1 0 315.486 4.472 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000449227960 1045365586 /nfs/dbraw/zinc/36/55/86/1045365586.db2.gz WVSICAQTJBNIFL-OAHLLOKOSA-N 1 0 315.486 4.472 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000449234656 1045366285 /nfs/dbraw/zinc/36/62/85/1045366285.db2.gz CLKXFTRFAVJABR-CXUOOODFSA-N 1 0 316.420 4.108 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C1CCC(COC)CC1)c1ccc(F)c(F)c1 ZINC000449251402 1045366761 /nfs/dbraw/zinc/36/67/61/1045366761.db2.gz RRALMURTIDRSJS-LEHRNKBSSA-N 1 0 309.400 4.377 20 30 DIEDRO CSCC1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000449239832 1045369081 /nfs/dbraw/zinc/36/90/81/1045369081.db2.gz LHGMGVSBQRCOFE-DNOWBOINSA-N 1 0 306.450 4.270 20 30 DIEDRO Cc1ccccc1[C@@H]([C@@H](C)[NH2+]C1CCC(C)(C#N)CC1)N(C)C ZINC000449268202 1045370004 /nfs/dbraw/zinc/37/00/04/1045370004.db2.gz FCOQNZJULWRIAL-BXXUTWAOSA-N 1 0 313.489 4.048 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000449283274 1045370841 /nfs/dbraw/zinc/37/08/41/1045370841.db2.gz KZMNAXDMMIPWIG-QAPCUYQASA-N 1 0 313.445 4.386 20 30 DIEDRO CCCOc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)c(C)c1 ZINC000449278233 1045371481 /nfs/dbraw/zinc/37/14/81/1045371481.db2.gz IAMHXGYLOPSQPH-UHFFFAOYSA-N 1 0 300.446 4.346 20 30 DIEDRO C[NH+](C)Cc1cc(NC2CCC(C)(C#N)CC2)ccc1Cl ZINC000449300999 1045373100 /nfs/dbraw/zinc/37/31/00/1045373100.db2.gz GAOCMRQIVIIXRE-UHFFFAOYSA-N 1 0 305.853 4.286 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)c(C)c1OC ZINC000449329966 1045374917 /nfs/dbraw/zinc/37/49/17/1045374917.db2.gz KFZKGCIDJOIBRJ-XVTSOASTSA-N 1 0 316.445 4.135 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000449341717 1045377831 /nfs/dbraw/zinc/37/78/31/1045377831.db2.gz WCHSKXZGUWSJED-NEPJUHHUSA-N 1 0 312.255 4.025 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000449341719 1045378371 /nfs/dbraw/zinc/37/83/71/1045378371.db2.gz WCHSKXZGUWSJED-NWDGAFQWSA-N 1 0 312.255 4.025 20 30 DIEDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000449364458 1045381740 /nfs/dbraw/zinc/38/17/40/1045381740.db2.gz QPCDFNMYHSHHJK-WDMOLILDSA-N 1 0 314.326 4.249 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCCCC2(F)F)c1 ZINC000449377925 1045387525 /nfs/dbraw/zinc/38/75/25/1045387525.db2.gz PUZPORFQHUJOCI-MRXNPFEDSA-N 1 0 322.399 4.284 20 30 DIEDRO COc1ccc(C2CCC([NH2+][C@H]3CC[C@@H](CC#N)C3)CC2)cc1 ZINC000449447309 1045394834 /nfs/dbraw/zinc/39/48/34/1045394834.db2.gz YAYDGPOTNSZRRG-GSHBMFQSSA-N 1 0 312.457 4.393 20 30 DIEDRO Cc1csc(C[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000449480660 1045398773 /nfs/dbraw/zinc/39/87/73/1045398773.db2.gz OYGMTHDGVUYNOM-UHFFFAOYSA-N 1 0 300.427 4.029 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2scnc2C)cc1Cl ZINC000449466934 1045400993 /nfs/dbraw/zinc/40/09/93/1045400993.db2.gz JOMPZVDPZYIBAE-UHFFFAOYSA-N 1 0 322.861 4.002 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528719844 1045403386 /nfs/dbraw/zinc/40/33/86/1045403386.db2.gz NHGRTKZHQHYSRN-UHFFFAOYSA-N 1 0 310.363 4.393 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449497288 1045403544 /nfs/dbraw/zinc/40/35/44/1045403544.db2.gz IPFITFPNQBHJKR-INIZCTEOSA-N 1 0 315.417 4.104 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CCCC1 ZINC000449605214 1045420108 /nfs/dbraw/zinc/42/01/08/1045420108.db2.gz MRZYAWXRTOEVLR-UHFFFAOYSA-N 1 0 313.470 4.431 20 30 DIEDRO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000475658146 1045426329 /nfs/dbraw/zinc/42/63/29/1045426329.db2.gz CXHKHSILVZMTDS-PKOBYXMFSA-N 1 0 314.473 4.027 20 30 DIEDRO C=CCC1(C(=O)N2CCC(C[N@@H+](C)CCCC)CC2)CCCC1 ZINC000449879382 1045447083 /nfs/dbraw/zinc/44/70/83/1045447083.db2.gz GYXSVRRTVPLYNQ-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000529661818 1045510848 /nfs/dbraw/zinc/51/08/48/1045510848.db2.gz CKKUKHJXQXBRGH-HXUWFJFHSA-N 1 0 312.457 4.176 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC001120249336 1045535158 /nfs/dbraw/zinc/53/51/58/1045535158.db2.gz JOBOOSHRWQBYMZ-YOEHRIQHSA-N 1 0 319.399 4.122 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccccc1 ZINC000450678514 1045543370 /nfs/dbraw/zinc/54/33/70/1045543370.db2.gz IDZYDMMTBWZIME-INIZCTEOSA-N 1 0 323.362 4.243 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001202798515 1045575582 /nfs/dbraw/zinc/57/55/82/1045575582.db2.gz ZOUPNEQXAXSHEI-HXUWFJFHSA-N 1 0 317.436 4.149 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2ccn(CC(F)(F)F)n2)CCCC1(C)C ZINC000450863116 1045580827 /nfs/dbraw/zinc/58/08/27/1045580827.db2.gz GJECVFHKGVHFRY-AWEZNQCLSA-N 1 0 315.383 4.012 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000381741609 1045583341 /nfs/dbraw/zinc/58/33/41/1045583341.db2.gz PAWJODPUMHXAIT-MNOVXSKESA-N 1 0 302.643 4.330 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000381741618 1045583736 /nfs/dbraw/zinc/58/37/36/1045583736.db2.gz PAWJODPUMHXAIT-WDEREUQCSA-N 1 0 302.643 4.330 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1ccncc1 ZINC000800478361 1045625990 /nfs/dbraw/zinc/62/59/90/1045625990.db2.gz DYQFGEKECLASBL-IHPCNDPISA-N 1 0 307.441 4.410 20 30 DIEDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000751932611 1045642494 /nfs/dbraw/zinc/64/24/94/1045642494.db2.gz PQFAKRXXSGQZIM-WOJBJXKFSA-N 1 0 320.436 4.281 20 30 DIEDRO COC[C@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000451203114 1045645392 /nfs/dbraw/zinc/64/53/92/1045645392.db2.gz QZNLGDCFMNVFEI-OAQYLSRUSA-N 1 0 320.436 4.084 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\CC(C)(C)C(F)(F)F)c(O)c1 ZINC000800790754 1045648547 /nfs/dbraw/zinc/64/85/47/1045648547.db2.gz UELUZAJRRLVESR-JMIUGGIZSA-N 1 0 316.367 4.246 20 30 DIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000629202210 1045654442 /nfs/dbraw/zinc/65/44/42/1045654442.db2.gz SVHZVJOGLRFSQO-SJORKVTESA-N 1 0 322.452 4.080 20 30 DIEDRO Cn1cc(C[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1C#N ZINC000191102831 1045656101 /nfs/dbraw/zinc/65/61/01/1045656101.db2.gz ZYNFUYPQCYGGKN-GOSISDBHSA-N 1 0 321.449 4.032 20 30 DIEDRO CCc1ccc(C(=O)/C=C/c2cnc3ccc(Cl)cn23)o1 ZINC000752237432 1045666528 /nfs/dbraw/zinc/66/65/28/1045666528.db2.gz GEAMIMSGTMJUJL-GQCTYLIASA-N 1 0 300.745 4.039 20 30 DIEDRO Cn1cc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)cc1C#N ZINC000191314944 1045677725 /nfs/dbraw/zinc/67/77/25/1045677725.db2.gz QRJYMQMDIQGLLD-LJQANCHMSA-N 1 0 311.404 4.057 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000800991165 1045678334 /nfs/dbraw/zinc/67/83/34/1045678334.db2.gz ZACAEMHIWJCWLV-ZDUSSCGKSA-N 1 0 313.832 4.128 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCC2(CCCC2)O1 ZINC000530524672 1045684272 /nfs/dbraw/zinc/68/42/72/1045684272.db2.gz GYWSFWOVIYUUPH-LJQANCHMSA-N 1 0 310.441 4.038 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551355 1045695039 /nfs/dbraw/zinc/69/50/39/1045695039.db2.gz ULBAMBGJAVICOZ-MRXNPFEDSA-N 1 0 315.417 4.104 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCc3c2cccc3Cl)c1 ZINC000752790866 1045707185 /nfs/dbraw/zinc/70/71/85/1045707185.db2.gz WRJZKXUOALPNJE-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2cc(C#N)cs2)c1C ZINC000530879588 1045745253 /nfs/dbraw/zinc/74/52/53/1045745253.db2.gz INVJKQMFMKGLGL-UHFFFAOYSA-N 1 0 309.438 4.316 20 30 DIEDRO CCCC[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1O ZINC000801595437 1045747724 /nfs/dbraw/zinc/74/77/24/1045747724.db2.gz BGVNQAVEGTWPBT-UHFFFAOYSA-N 1 0 312.388 4.205 20 30 DIEDRO CCCC[N@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1F ZINC000801595543 1045749525 /nfs/dbraw/zinc/74/95/25/1045749525.db2.gz NIFGUIXAISJSNH-UHFFFAOYSA-N 1 0 312.388 4.205 20 30 DIEDRO CC1=C(c2ccco2)C[N@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000801602436 1045753240 /nfs/dbraw/zinc/75/32/40/1045753240.db2.gz IDVCOJFMYIPPPO-UHFFFAOYSA-N 1 0 322.408 4.100 20 30 DIEDRO Cc1ccc([C@@H]2CC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)cc1 ZINC000753586613 1045769811 /nfs/dbraw/zinc/76/98/11/1045769811.db2.gz BRJWONGIQZKMFT-FXAWDEMLSA-N 1 0 320.436 4.275 20 30 DIEDRO Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000192110080 1045781738 /nfs/dbraw/zinc/78/17/38/1045781738.db2.gz ZBASPLWCCSVSJL-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000753663399 1045784899 /nfs/dbraw/zinc/78/48/99/1045784899.db2.gz INRJXGSPGYEFGX-QGZVFWFLSA-N 1 0 316.489 4.003 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2CC(c3ccccc3)C2)cc1 ZINC000801730830 1045785868 /nfs/dbraw/zinc/78/58/68/1045785868.db2.gz OPJJQTBBCYJLBF-PPDQVPDSSA-N 1 0 320.436 4.261 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000192150094 1045786389 /nfs/dbraw/zinc/78/63/89/1045786389.db2.gz HBEXYEBPRSIRIV-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000753680240 1045789770 /nfs/dbraw/zinc/78/97/70/1045789770.db2.gz ZHSUUJGEEOHQPB-MFWIUYSUSA-N 1 0 300.446 4.282 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1C ZINC000753688869 1045791745 /nfs/dbraw/zinc/79/17/45/1045791745.db2.gz WABUTXSZQYCWJT-HNNXBMFYSA-N 1 0 324.424 4.043 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631159277 1045828321 /nfs/dbraw/zinc/82/83/21/1045828321.db2.gz RZKOBPGFPBTNQU-MRXNPFEDSA-N 1 0 302.368 4.296 20 30 DIEDRO CCC[N@H+](CCO[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000801915443 1045836738 /nfs/dbraw/zinc/83/67/38/1045836738.db2.gz LIKJPWWQZNHNTL-CABCVRRESA-N 1 0 300.402 4.134 20 30 DIEDRO C[C@H](C#N)OCC[N@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000801918499 1045837221 /nfs/dbraw/zinc/83/72/21/1045837221.db2.gz PHVTVQKBERVHKN-HZPDHXFCSA-N 1 0 308.425 4.294 20 30 DIEDRO CCOCc1ccc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000278188335 1045837734 /nfs/dbraw/zinc/83/77/34/1045837734.db2.gz FCBAOFRIDKMPEA-HXUWFJFHSA-N 1 0 308.425 4.336 20 30 DIEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000801923629 1045843364 /nfs/dbraw/zinc/84/33/64/1045843364.db2.gz LQTKAKZZRQWQEV-SJORKVTESA-N 1 0 308.425 4.275 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000801940352 1045852895 /nfs/dbraw/zinc/85/28/95/1045852895.db2.gz WDJNHTIWNDIHJU-CXAGYDPISA-N 1 0 306.837 4.090 20 30 DIEDRO C#CCCC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801950180 1045859855 /nfs/dbraw/zinc/85/98/55/1045859855.db2.gz JOBBLYDWCFXRNC-QZTJIDSGSA-N 1 0 322.855 4.006 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000754670437 1045908228 /nfs/dbraw/zinc/90/82/28/1045908228.db2.gz BIEFCMPDDTVFPS-NSHDSACASA-N 1 0 322.380 4.380 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000531720295 1045909904 /nfs/dbraw/zinc/90/99/04/1045909904.db2.gz KDQIQGUHKKWLOR-YWZLYKJASA-N 1 0 316.464 4.079 20 30 DIEDRO C[C@@]1(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000828589202 1045918043 /nfs/dbraw/zinc/91/80/43/1045918043.db2.gz GEXNDYXTAQSSTA-INIZCTEOSA-N 1 0 321.251 4.231 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC12CCC2 ZINC000779604431 1045926338 /nfs/dbraw/zinc/92/63/38/1045926338.db2.gz LKOPFGYHJHQLBC-KRWDZBQOSA-N 1 0 311.473 4.049 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc3ccccc3s1)CC2 ZINC001137681463 1045931875 /nfs/dbraw/zinc/93/18/75/1045931875.db2.gz YJFFUWRJEOLGLN-UHFFFAOYSA-N 1 0 304.418 4.331 20 30 DIEDRO C[C@@H](c1ccco1)[N@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC000754875929 1045936950 /nfs/dbraw/zinc/93/69/50/1045936950.db2.gz QMMYVIILDOQGFW-HNNXBMFYSA-N 1 0 310.397 4.146 20 30 DIEDRO COc1ccc(C[NH+]2CCC(C)(c3ccccc3)CC2)c(C#N)c1 ZINC001137706810 1045940425 /nfs/dbraw/zinc/94/04/25/1045940425.db2.gz RSSDMRRZFDAHQO-UHFFFAOYSA-N 1 0 320.436 4.121 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c(C#N)c1 ZINC001137703621 1045941084 /nfs/dbraw/zinc/94/10/84/1045941084.db2.gz RDKFMBFGOCSTHE-GOSISDBHSA-N 1 0 320.436 4.022 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001258228587 1045941103 /nfs/dbraw/zinc/94/11/03/1045941103.db2.gz IRIIPLPOCZSZEG-IKGGRYGDSA-N 1 0 305.453 4.260 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)c(C#N)c1 ZINC001137703070 1045941300 /nfs/dbraw/zinc/94/13/00/1045941300.db2.gz BYFVHLUGQAWOHT-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO CCCCCCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000755075077 1045951253 /nfs/dbraw/zinc/95/12/53/1045951253.db2.gz LUIMPVSFUNJLLA-SFHVURJKSA-N 1 0 323.525 4.007 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000755100077 1045952196 /nfs/dbraw/zinc/95/21/96/1045952196.db2.gz DYVNBGRNCYCNMK-OAHLLOKOSA-N 1 0 301.434 4.281 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453130275 1045953091 /nfs/dbraw/zinc/95/30/91/1045953091.db2.gz GHWPQWPCMCOHTG-OAHLLOKOSA-N 1 0 314.454 4.444 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000192934343 1045955004 /nfs/dbraw/zinc/95/50/04/1045955004.db2.gz PMWGPJJNKKGUOW-AWEZNQCLSA-N 1 0 314.816 4.136 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)ccc2NC)c1 ZINC000902244762 1045955595 /nfs/dbraw/zinc/95/55/95/1045955595.db2.gz YGTSRYLLTBTRKS-SFHVURJKSA-N 1 0 323.440 4.008 20 30 DIEDRO CCCCCCCCCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000755250977 1045966531 /nfs/dbraw/zinc/96/65/31/1045966531.db2.gz PUFQYTCTEYZCJX-MSOLQXFVSA-N 1 0 323.525 4.053 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453174271 1045966781 /nfs/dbraw/zinc/96/67/81/1045966781.db2.gz KDBOGDHWSHJHEV-INIZCTEOSA-N 1 0 312.413 4.117 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000453195090 1045977654 /nfs/dbraw/zinc/97/76/54/1045977654.db2.gz OWEGCSXBAMMQEE-GJZGRUSLSA-N 1 0 311.404 4.154 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)c(C)n1-c1ccccc1 ZINC001137857893 1045988099 /nfs/dbraw/zinc/98/80/99/1045988099.db2.gz NNWYDHLMHHQESE-UHFFFAOYSA-N 1 0 307.441 4.220 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CSc3ccccc31)CC2 ZINC000453215729 1045988278 /nfs/dbraw/zinc/98/82/78/1045988278.db2.gz GQKORFMTASDUNP-YJBOKZPZSA-N 1 0 306.434 4.025 20 30 DIEDRO Cn1cc(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccc(Cl)cc21 ZINC000193322511 1045990531 /nfs/dbraw/zinc/99/05/31/1045990531.db2.gz IRAURDGWAXHSBF-CZUORRHYSA-N 1 0 315.848 4.046 20 30 DIEDRO CCC[C@H](C)C=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000755594696 1045999064 /nfs/dbraw/zinc/99/90/64/1045999064.db2.gz VJYGHFBYTRRWJO-LBPRGKRZSA-N 1 0 322.865 4.494 20 30 DIEDRO CCC[C@@H](C)C=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000755594693 1045999140 /nfs/dbraw/zinc/99/91/40/1045999140.db2.gz VJYGHFBYTRRWJO-GFCCVEGCSA-N 1 0 322.865 4.494 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@H+](C)CC2CC2)cc1 ZINC001137898362 1046004249 /nfs/dbraw/zinc/00/42/49/1046004249.db2.gz PRIVZLGSGGGXJI-UHFFFAOYSA-N 1 0 305.425 4.168 20 30 DIEDRO C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137898477 1046004570 /nfs/dbraw/zinc/00/45/70/1046004570.db2.gz WBGCEDDNZRUIHT-INIZCTEOSA-N 1 0 305.425 4.310 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CC3CC(C3)C2)cc1 ZINC001137904281 1046005162 /nfs/dbraw/zinc/00/51/62/1046005162.db2.gz WIRMPCPSPSWZFO-UHFFFAOYSA-N 1 0 317.436 4.168 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CC3(CCC3)C2)cc1 ZINC001137899737 1046005284 /nfs/dbraw/zinc/00/52/84/1046005284.db2.gz DYDRXBQYMHISRZ-UHFFFAOYSA-N 1 0 317.436 4.312 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCC(F)CC2)cc1 ZINC001137898424 1046005554 /nfs/dbraw/zinc/00/55/54/1046005554.db2.gz SZDFGPWTIGEYDH-UHFFFAOYSA-N 1 0 323.415 4.260 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001137904334 1046005633 /nfs/dbraw/zinc/00/56/33/1046005633.db2.gz ZABOYTCVLDDBEA-NQIIRXRSSA-N 1 0 317.436 4.310 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccn1 ZINC000453299357 1046020855 /nfs/dbraw/zinc/02/08/55/1046020855.db2.gz XSYYWTWPRHJKNT-IBGZPJMESA-N 1 0 319.452 4.288 20 30 DIEDRO C=CCCCC[NH+]1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000829974196 1046027572 /nfs/dbraw/zinc/02/75/72/1046027572.db2.gz ZFPDROXEQSCFSW-HXUWFJFHSA-N 1 0 317.473 4.187 20 30 DIEDRO CCCN(CCC#N)Cc1ccc(SC(F)(F)F)cc1 ZINC001137955434 1046032196 /nfs/dbraw/zinc/03/21/96/1046032196.db2.gz ZYCXHYPEYPGAJU-UHFFFAOYSA-N 1 0 302.365 4.424 20 30 DIEDRO CCNc1ccccc1C[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000902646562 1046038429 /nfs/dbraw/zinc/03/84/29/1046038429.db2.gz PLNFCBRTRYYWHF-UHFFFAOYSA-N 1 0 311.454 4.002 20 30 DIEDRO CCC1(CC)CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000756023737 1046040546 /nfs/dbraw/zinc/04/05/46/1046040546.db2.gz RDJPAXSIHQPJEF-UHFFFAOYSA-N 1 0 306.837 4.254 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1cc(C#N)ccn1 ZINC000902720862 1046049056 /nfs/dbraw/zinc/04/90/56/1046049056.db2.gz OOKDBXRXQBJWGT-NSHDSACASA-N 1 0 320.223 4.153 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cccc(C(F)(F)F)c1 ZINC000902720818 1046049398 /nfs/dbraw/zinc/04/93/98/1046049398.db2.gz OJKCRACUNMBKGS-NEPJUHHUSA-N 1 0 319.330 4.384 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001256188905 1046049617 /nfs/dbraw/zinc/04/96/17/1046049617.db2.gz XCBJUZUWBFFIQS-UONOGXRCSA-N 1 0 321.262 4.006 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)CCc1ccc(OC)c(O)c1)c1ccccc1 ZINC000756100757 1046051054 /nfs/dbraw/zinc/05/10/54/1046051054.db2.gz WIJNDUUMYOGZPA-LPHOPBHVSA-N 1 0 323.436 4.076 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000902726422 1046051810 /nfs/dbraw/zinc/05/18/10/1046051810.db2.gz PCSHAVSAWKSVPS-RDTXWAMCSA-N 1 0 322.408 4.131 20 30 DIEDRO CC(N=Nc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779773173 1046064915 /nfs/dbraw/zinc/06/49/15/1046064915.db2.gz ZWWOIALCVZOONY-QGZVFWFLSA-N 1 0 311.404 4.136 20 30 DIEDRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1F ZINC000453364673 1046065848 /nfs/dbraw/zinc/06/58/48/1046065848.db2.gz SFJYLSLBQQNEQF-ZDUSSCGKSA-N 1 0 312.363 4.262 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000453364354 1046066492 /nfs/dbraw/zinc/06/64/92/1046066492.db2.gz QENSXXXULIVPEE-KYNGSXCRSA-N 1 0 312.457 4.157 20 30 DIEDRO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000902766684 1046067347 /nfs/dbraw/zinc/06/73/47/1046067347.db2.gz PRIRLBCXBVCSNT-CABCVRRESA-N 1 0 322.408 4.065 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902808302 1046074209 /nfs/dbraw/zinc/07/42/09/1046074209.db2.gz ICFSZSGAYYLTEG-IPELMVKDSA-N 1 0 305.425 4.015 20 30 DIEDRO C=CC[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccccc1 ZINC000634676641 1046083822 /nfs/dbraw/zinc/08/38/22/1046083822.db2.gz JEJXMGRFNMUAMI-HQSKLWIPSA-N 1 0 323.440 4.118 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2OC)c1cccc(C#N)c1 ZINC000902842535 1046084788 /nfs/dbraw/zinc/08/47/88/1046084788.db2.gz XDXXYAHSKWGELW-OALUTQOASA-N 1 0 306.409 4.295 20 30 DIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000194060337 1046093587 /nfs/dbraw/zinc/09/35/87/1046093587.db2.gz ZERDXMUVGBNHCO-HNNXBMFYSA-N 1 0 320.392 4.494 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1cccc(C#N)c1 ZINC000902866293 1046094239 /nfs/dbraw/zinc/09/42/39/1046094239.db2.gz DLHHEXBBGFGDOA-QZTJIDSGSA-N 1 0 322.408 4.131 20 30 DIEDRO Cn1cc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1C#N ZINC000453624657 1046095307 /nfs/dbraw/zinc/09/53/07/1046095307.db2.gz YRWQWHJRHIYECA-LJQANCHMSA-N 1 0 305.425 4.014 20 30 DIEDRO C#CC[N@H+](Cc1ccc2ncccc2c1)[C@@H]1CCc2ccccc21 ZINC001138111860 1046096788 /nfs/dbraw/zinc/09/67/88/1046096788.db2.gz TVKNWKQHPOWUKS-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)C)c1cccc(C#N)c1 ZINC000902876153 1046098091 /nfs/dbraw/zinc/09/80/91/1046098091.db2.gz SPYUAGXVAIIUMZ-GBESFXJTSA-N 1 0 300.446 4.050 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)C)c1cccc(C#N)c1 ZINC000902876154 1046098663 /nfs/dbraw/zinc/09/86/63/1046098663.db2.gz SPYUAGXVAIIUMZ-QYZOEREBSA-N 1 0 300.446 4.050 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)c1cc(C#N)ccn1 ZINC000902907720 1046106740 /nfs/dbraw/zinc/10/67/40/1046106740.db2.gz ZVVDIKYDKGGZDP-ZDUSSCGKSA-N 1 0 311.816 4.337 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2ccc(OC)cc2)CC1)c1cccc(C#N)c1 ZINC000902911368 1046108255 /nfs/dbraw/zinc/10/82/55/1046108255.db2.gz AFCDMPHYMNXDMK-LJQANCHMSA-N 1 0 306.409 4.297 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cccc(C#N)c1 ZINC000756627957 1046112341 /nfs/dbraw/zinc/11/23/41/1046112341.db2.gz SSOWKILDFPCSGA-RYUDHWBXSA-N 1 0 300.789 4.329 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](CC(C)C)C1)c1cccc(C#N)c1 ZINC000902926747 1046115129 /nfs/dbraw/zinc/11/51/29/1046115129.db2.gz NTMMIKBCRKPFIN-FHWLQOOXSA-N 1 0 300.446 4.193 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC(C)C)C1)c1cccc(C#N)c1 ZINC000902926758 1046115539 /nfs/dbraw/zinc/11/55/39/1046115539.db2.gz NTMMIKBCRKPFIN-QRVBRYPASA-N 1 0 300.446 4.193 20 30 DIEDRO C#CCC[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000831063165 1046115943 /nfs/dbraw/zinc/11/59/43/1046115943.db2.gz IWJGQEAKVINLAF-UHFFFAOYSA-N 1 0 318.342 4.126 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc3ncccc3c2)c1 ZINC000195292904 1046117311 /nfs/dbraw/zinc/11/73/11/1046117311.db2.gz LYILACHJMAMRQQ-UHFFFAOYSA-N 1 0 318.424 4.285 20 30 DIEDRO Cc1[nH+]c2ccc(F)cn2c1Nc1cccc(C2(C#N)CC2)c1 ZINC001213318348 1046117590 /nfs/dbraw/zinc/11/75/90/1046117590.db2.gz QZIUHXMQWLOQTC-UHFFFAOYSA-N 1 0 306.344 4.081 20 30 DIEDRO N#CCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC001138219421 1046120934 /nfs/dbraw/zinc/12/09/34/1046120934.db2.gz AHUXRSQWYHKXBZ-UHFFFAOYSA-N 1 0 311.473 4.335 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1cccc(O[C@H](C#N)CC)c1)c1cccnc1 ZINC000756709697 1046121626 /nfs/dbraw/zinc/12/16/26/1046121626.db2.gz NPYPGUBHQXGGBL-AZUAARDMSA-N 1 0 323.440 4.394 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000756733929 1046123887 /nfs/dbraw/zinc/12/38/87/1046123887.db2.gz TZHUNDHFTKZXNG-PGUXBMHVSA-N 1 0 302.245 4.360 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cn(C(C)C)nc21)c1cccc(C#N)c1 ZINC000902953421 1046125023 /nfs/dbraw/zinc/12/50/23/1046125023.db2.gz DTHQALKKNZSARF-MOPGFXCFSA-N 1 0 322.456 4.454 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cccc(C#N)c1 ZINC000902958124 1046127014 /nfs/dbraw/zinc/12/70/14/1046127014.db2.gz NWKCHEQLKAUYTC-IBGZPJMESA-N 1 0 308.425 4.027 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1cccc(C#N)c1 ZINC000902957406 1046127185 /nfs/dbraw/zinc/12/71/85/1046127185.db2.gz RRZAYHPTMMEJKE-OALUTQOASA-N 1 0 322.408 4.131 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1 ZINC000902965965 1046130602 /nfs/dbraw/zinc/13/06/02/1046130602.db2.gz BDKQXMIVJVFLBO-ROUUACIJSA-N 1 0 310.372 4.262 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000902979307 1046135392 /nfs/dbraw/zinc/13/53/92/1046135392.db2.gz QLUUDCPHUZKILY-IBGZPJMESA-N 1 0 305.425 4.039 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cc(C#N)ccn1 ZINC000902976887 1046136144 /nfs/dbraw/zinc/13/61/44/1046136144.db2.gz WIPBFMLWVPMWRX-FDQGKXFDSA-N 1 0 309.388 4.079 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnc(CCC)o1)[C@]1(C)CCCCO1 ZINC000903012550 1046140899 /nfs/dbraw/zinc/14/08/99/1046140899.db2.gz QLIDZBJHRUSNHS-AEFFLSMTSA-N 1 0 306.450 4.011 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CCCCC1 ZINC000903053975 1046148930 /nfs/dbraw/zinc/14/89/30/1046148930.db2.gz SYKTZBOORJPNBF-QZTJIDSGSA-N 1 0 304.478 4.035 20 30 DIEDRO C(#Cc1ccc(C[NH+]2CC(c3cccnc3)C2)cc1)c1ccccc1 ZINC001138335988 1046153364 /nfs/dbraw/zinc/15/33/64/1046153364.db2.gz GBBPZEFCFPYPMS-UHFFFAOYSA-N 1 0 324.427 4.081 20 30 DIEDRO C[N@H+](Cc1ccc(C#Cc2ccccc2)cc1)Cc1ccccn1 ZINC001138333494 1046153560 /nfs/dbraw/zinc/15/35/60/1046153560.db2.gz FDOFABHGQOELKW-UHFFFAOYSA-N 1 0 312.416 4.113 20 30 DIEDRO CCc1cccc2c(C[N@H+](C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC001138360727 1046156757 /nfs/dbraw/zinc/15/67/57/1046156757.db2.gz AUYMBZXZPYJLNL-UHFFFAOYSA-N 1 0 303.409 4.234 20 30 DIEDRO CC[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cccc(C#N)c1 ZINC000903076924 1046157365 /nfs/dbraw/zinc/15/73/65/1046157365.db2.gz CZLGCTDZAYJYLB-RBUKOAKNSA-N 1 0 312.457 4.338 20 30 DIEDRO N#CCCCC[NH2+][C@@H](c1ccccc1F)c1ccc(F)cc1F ZINC000903088337 1046161256 /nfs/dbraw/zinc/16/12/56/1046161256.db2.gz JFEJGQRVONBPHF-SFHVURJKSA-N 1 0 318.342 4.477 20 30 DIEDRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccc(C#N)c(F)c1 ZINC000903160924 1046180149 /nfs/dbraw/zinc/18/01/49/1046180149.db2.gz WIGWHDUECUNCPC-KPGMEVQCSA-N 1 0 304.434 4.022 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1nnc(C)s1)c1cccc(Cl)c1 ZINC000903173482 1046181581 /nfs/dbraw/zinc/18/15/81/1046181581.db2.gz ZMKKNYWBVXDCNP-OAHLLOKOSA-N 1 0 321.877 4.340 20 30 DIEDRO COc1ccc2c(c1Cl)[C@H]([NH2+]CC1(CC#N)CC1)CCC2 ZINC000903168566 1046182815 /nfs/dbraw/zinc/18/28/15/1046182815.db2.gz XPUATKDEXCXXLD-CYBMUJFWSA-N 1 0 304.821 4.009 20 30 DIEDRO O=C1c2ccc(F)cc2CC/C1=C/c1cc(-n2ccnc2)cs1 ZINC000783710341 1046191040 /nfs/dbraw/zinc/19/10/40/1046191040.db2.gz GDWDSBWACUANES-JYRVWZFOSA-N 1 0 324.380 4.285 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000757650120 1046198187 /nfs/dbraw/zinc/19/81/87/1046198187.db2.gz KXCNVYKAZZXIGY-INIZCTEOSA-N 1 0 308.425 4.458 20 30 DIEDRO COc1ccc(C)cc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001138487069 1046198344 /nfs/dbraw/zinc/19/83/44/1046198344.db2.gz CETORELCIHUWPT-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1C ZINC000903234981 1046202423 /nfs/dbraw/zinc/20/24/23/1046202423.db2.gz UMLHHEFCDBRZIL-KUHUBIRLSA-N 1 0 306.409 4.213 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc2c(c1)CCO2 ZINC000903238841 1046204677 /nfs/dbraw/zinc/20/46/77/1046204677.db2.gz YQFDEZCSKULPDY-CHWSQXEVSA-N 1 0 310.372 4.044 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(Cl)c1OC)c1ccc(C#N)cc1 ZINC000903247158 1046207226 /nfs/dbraw/zinc/20/72/26/1046207226.db2.gz TYDSFFNUJLOHTP-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1C#N ZINC000087823514 1046212137 /nfs/dbraw/zinc/21/21/37/1046212137.db2.gz LIQADXFPGGEWIO-JTQLQIEISA-N 1 0 306.818 4.133 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1cccnc1NC(=O)C(C)(C)C ZINC001138541820 1046217533 /nfs/dbraw/zinc/21/75/33/1046217533.db2.gz OIZNHLDHTSJYNV-UHFFFAOYSA-N 1 0 319.493 4.468 20 30 DIEDRO N#Cc1ccnc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)c1 ZINC001168163361 1046219231 /nfs/dbraw/zinc/21/92/31/1046219231.db2.gz LUYLWZPPESWMIZ-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000757924188 1046228011 /nfs/dbraw/zinc/22/80/11/1046228011.db2.gz XVGAJMNPSXFNCE-UHFFFAOYSA-N 1 0 309.409 4.122 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000831938099 1046228624 /nfs/dbraw/zinc/22/86/24/1046228624.db2.gz YEHLUIJWCXNMEH-SJORKVTESA-N 1 0 308.510 4.140 20 30 DIEDRO COc1ccc(-c2cccc(CN3CCC[C@@H](C#N)C3)c2)cc1 ZINC001138614782 1046240402 /nfs/dbraw/zinc/24/04/02/1046240402.db2.gz HCXQPTQDXLMLCL-KRWDZBQOSA-N 1 0 306.409 4.098 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1O ZINC001138628201 1046247540 /nfs/dbraw/zinc/24/75/40/1046247540.db2.gz QJFDTCFBQAQDHN-QGZVFWFLSA-N 1 0 311.400 4.249 20 30 DIEDRO CCc1ccc([C@H](CC(C)C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000795302331 1046248989 /nfs/dbraw/zinc/24/89/89/1046248989.db2.gz NPYAIAJLPJAFET-FQEVSTJZSA-N 1 0 307.441 4.393 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903336047 1046248931 /nfs/dbraw/zinc/24/89/31/1046248931.db2.gz VGSJVPFLDHGPIL-UYAOXDASSA-N 1 0 303.409 4.072 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)c1O ZINC001138630070 1046248928 /nfs/dbraw/zinc/24/89/28/1046248928.db2.gz PWPKUPRRGNIFNF-IBGZPJMESA-N 1 0 308.425 4.161 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001138665562 1046259894 /nfs/dbraw/zinc/25/98/94/1046259894.db2.gz QMPSLVZKEUIQHA-GOSISDBHSA-N 1 0 322.452 4.416 20 30 DIEDRO C=C(C)COc1ccccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC001138661824 1046259918 /nfs/dbraw/zinc/25/99/18/1046259918.db2.gz HJXOJFISFAHJRV-UHFFFAOYSA-N 1 0 313.363 4.416 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001138662891 1046260404 /nfs/dbraw/zinc/26/04/04/1046260404.db2.gz GSCZYVJEPRWPRT-INIZCTEOSA-N 1 0 313.363 4.211 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+](C)CCc1cccs1 ZINC001138664599 1046260888 /nfs/dbraw/zinc/26/08/88/1046260888.db2.gz RTRJBGZCDJWALC-UHFFFAOYSA-N 1 0 301.455 4.378 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001138664350 1046261240 /nfs/dbraw/zinc/26/12/40/1046261240.db2.gz OCOKUSSJMMPUCF-KRWDZBQOSA-N 1 0 308.425 4.026 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000245714005 1046262549 /nfs/dbraw/zinc/26/25/49/1046262549.db2.gz GNNRQJIUXNJJEI-QINHECLXSA-N 1 0 306.409 4.170 20 30 DIEDRO C#CCCCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000758498022 1046273284 /nfs/dbraw/zinc/27/32/84/1046273284.db2.gz UQQRQQSGJMIYDM-UHFFFAOYSA-N 1 0 304.846 4.357 20 30 DIEDRO C#CCCCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000758497177 1046273547 /nfs/dbraw/zinc/27/35/47/1046273547.db2.gz LMOAZTFHBWRWPS-UHFFFAOYSA-N 1 0 318.420 4.030 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2CCC(C)(C)CC2)cc1 ZINC000758618966 1046280825 /nfs/dbraw/zinc/28/08/25/1046280825.db2.gz OEUSVVDHXKCEEY-OAHLLOKOSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](CC(C)C)OC)cc1Cl ZINC001202860335 1046284324 /nfs/dbraw/zinc/28/43/24/1046284324.db2.gz PZXKKVQAXQUTRM-OAHLLOKOSA-N 1 0 311.853 4.056 20 30 DIEDRO C=CC[N@H+](Cc1cnn(Cc2ccccc2)c1)C1CCCCC1 ZINC001138767776 1046291246 /nfs/dbraw/zinc/29/12/46/1046291246.db2.gz PSIIEOYLZWAJLP-UHFFFAOYSA-N 1 0 309.457 4.252 20 30 DIEDRO N#CCC[N@@H+](Cc1c[nH]c2c1cccc2Cl)C1CCCC1 ZINC001138834525 1046306780 /nfs/dbraw/zinc/30/67/80/1046306780.db2.gz DPMRMYWZCZZPNM-UHFFFAOYSA-N 1 0 301.821 4.480 20 30 DIEDRO Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H](CC#N)C3)ccc21 ZINC001138918869 1046327463 /nfs/dbraw/zinc/32/74/63/1046327463.db2.gz QOCVLSMAEXFCRP-MRXNPFEDSA-N 1 0 317.436 4.457 20 30 DIEDRO CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)nc1 ZINC000610675323 1046337556 /nfs/dbraw/zinc/33/75/56/1046337556.db2.gz AGPSWVHUJCNKLE-UHFFFAOYSA-N 1 0 323.440 4.010 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccn(C(F)F)c1=O)c1ccccc1 ZINC000638785514 1046343341 /nfs/dbraw/zinc/34/33/41/1046343341.db2.gz WPXDJCNUPLAPDX-INIZCTEOSA-N 1 0 318.367 4.041 20 30 DIEDRO CCC[N@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000051855240 1046344334 /nfs/dbraw/zinc/34/43/34/1046344334.db2.gz UQHPTTIVUXJPAU-UHFFFAOYSA-N 1 0 305.381 4.112 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000748224170 1046357373 /nfs/dbraw/zinc/35/73/73/1046357373.db2.gz KIODCHMRSMEJPW-LJQANCHMSA-N 1 0 322.537 4.317 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000121845446 1046365854 /nfs/dbraw/zinc/36/58/54/1046365854.db2.gz OEBPOJSMNQKWEF-XOBRGWDASA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCC1([NH2+][C@H](C)CCc2c[nH]c3ccccc23)CCOCC1 ZINC000639316250 1046378398 /nfs/dbraw/zinc/37/83/98/1046378398.db2.gz WQUUOOKQWGGZPY-MRXNPFEDSA-N 1 0 312.457 4.204 20 30 DIEDRO C=C(C)CN(CC)Cc1csc(COc2ccc(F)cc2)n1 ZINC000052636250 1046381178 /nfs/dbraw/zinc/38/11/78/1046381178.db2.gz CNNJUPJUGCHSSU-UHFFFAOYSA-N 1 0 320.433 4.259 20 30 DIEDRO C=CCN(Cc1ccc(Br)nc1Cl)C(C)(C)C ZINC001139117156 1046389205 /nfs/dbraw/zinc/38/92/05/1046389205.db2.gz WKXUQJLZBZDSGV-UHFFFAOYSA-N 1 0 317.658 4.284 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000780526819 1046390589 /nfs/dbraw/zinc/39/05/89/1046390589.db2.gz IYAHYUZHDXVCDD-QFBILLFUSA-N 1 0 308.400 4.198 20 30 DIEDRO CC[N@H+](CCCCCn1cccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000170913081 1046391376 /nfs/dbraw/zinc/39/13/76/1046391376.db2.gz PGIGBTXXCKHRPJ-QGZVFWFLSA-N 1 0 310.445 4.008 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(Oc3ccccc3)c2)nc1 ZINC000780558631 1046392776 /nfs/dbraw/zinc/39/27/76/1046392776.db2.gz RVHMEALEIBGNBL-UHFFFAOYSA-N 1 0 315.376 4.035 20 30 DIEDRO Cc1ccccc1-c1cccc(C[NH2+]Cc2ccc(C#N)cn2)c1 ZINC000780558607 1046393923 /nfs/dbraw/zinc/39/39/23/1046393923.db2.gz RIGSYUINYBQYSM-UHFFFAOYSA-N 1 0 313.404 4.219 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000780729535 1046400177 /nfs/dbraw/zinc/40/01/77/1046400177.db2.gz XUEIWRHMKBZBCJ-RLLQIKCJSA-N 1 0 312.457 4.426 20 30 DIEDRO CCC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001168201837 1046400578 /nfs/dbraw/zinc/40/05/78/1046400578.db2.gz MYXVJICGCURLPV-HXUWFJFHSA-N 1 0 320.436 4.226 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000780743717 1046401673 /nfs/dbraw/zinc/40/16/73/1046401673.db2.gz SXTWESQCGZKPGY-RDJZCZTQSA-N 1 0 323.864 4.428 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000780744061 1046401815 /nfs/dbraw/zinc/40/18/15/1046401815.db2.gz JPNSTASYHPZBMX-OAHLLOKOSA-N 1 0 313.413 4.171 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000780743716 1046401823 /nfs/dbraw/zinc/40/18/23/1046401823.db2.gz SXTWESQCGZKPGY-NVXWUHKLSA-N 1 0 323.864 4.428 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000753663396 1046414858 /nfs/dbraw/zinc/41/48/58/1046414858.db2.gz INRJXGSPGYEFGX-KRWDZBQOSA-N 1 0 316.489 4.003 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001254642181 1046433049 /nfs/dbraw/zinc/43/30/49/1046433049.db2.gz FFBQJLVQISGQSQ-RNCFNFMXSA-N 1 0 302.727 4.141 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cnccn2)cc1 ZINC001139393619 1046442464 /nfs/dbraw/zinc/44/24/64/1046442464.db2.gz XYCOOIHQZWIKKZ-UHFFFAOYSA-N 1 0 315.420 4.332 20 30 DIEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400448 1046443412 /nfs/dbraw/zinc/44/34/12/1046443412.db2.gz SPMCDIXALIMJDQ-HOTGVXAUSA-N 1 0 305.425 4.383 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCCCC34CC4)cc2)c1 ZINC001139405047 1046443691 /nfs/dbraw/zinc/44/36/91/1046443691.db2.gz GLKUXNIVRXQUIU-UHFFFAOYSA-N 1 0 303.409 4.139 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)cc2)c1 ZINC001139402831 1046443793 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C[C@H]1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)[C@@H](C)C1 ZINC001139407170 1046445881 /nfs/dbraw/zinc/44/58/81/1046445881.db2.gz SMSWJGTWUVPWDT-HOTGVXAUSA-N 1 0 305.425 4.241 20 30 DIEDRO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C[C@@H]1CC1(C)C ZINC001139427852 1046451000 /nfs/dbraw/zinc/45/10/00/1046451000.db2.gz UKPHFWZDXHWBBL-KRWDZBQOSA-N 1 0 321.424 4.223 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC4(CCC4)C3)cn2)cc1 ZINC001139427468 1046451188 /nfs/dbraw/zinc/45/11/88/1046451188.db2.gz HEXQWCWZIIIVKA-UHFFFAOYSA-N 1 0 319.408 4.122 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC001139483351 1046454827 /nfs/dbraw/zinc/45/48/27/1046454827.db2.gz DTERCGJLDVNNMQ-UHFFFAOYSA-N 1 0 306.331 4.385 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139527937 1046462880 /nfs/dbraw/zinc/46/28/80/1046462880.db2.gz UGKRBHGIJDHHST-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139527939 1046463552 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C[N@H+](Cc1ccc(-c2cccnc2)cc1)Cc1cccc(C#N)c1 ZINC001139644987 1046492934 /nfs/dbraw/zinc/49/29/34/1046492934.db2.gz XTUNMEVZHGLTHG-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2cccnc2)cc1 ZINC001139644129 1046493534 /nfs/dbraw/zinc/49/35/34/1046493534.db2.gz VEKCLNPSOMGPOS-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108727 1046494401 /nfs/dbraw/zinc/49/44/01/1046494401.db2.gz VFSQKSDOBWXDIX-KBXCAEBGSA-N 1 0 318.848 4.254 20 30 DIEDRO C=CCC[N@@H+](Cc1cn2c(cccc2C)n1)Cc1ccccc1 ZINC001137300999 1046497861 /nfs/dbraw/zinc/49/78/61/1046497861.db2.gz ZWTYHDXOZLNEKQ-UHFFFAOYSA-N 1 0 305.425 4.221 20 30 DIEDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139701208 1046501339 /nfs/dbraw/zinc/50/13/39/1046501339.db2.gz CNSGHJVCTXIOEL-CQSZACIVSA-N 1 0 301.393 4.159 20 30 DIEDRO N#Cc1cccc2c(C[N@H+]3CC[C@H](c4ccccc4F)C3)c[nH]c21 ZINC001139702901 1046501629 /nfs/dbraw/zinc/50/16/29/1046501629.db2.gz 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C=CCn1cc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cn1 ZINC001139765254 1046513623 /nfs/dbraw/zinc/51/36/23/1046513623.db2.gz ACEXBXKGRTXZGC-UHFFFAOYSA-N 1 0 313.832 4.012 20 30 DIEDRO C=CCn1cc(C[N@H+]2CCC[C@H]2c2ccccc2SC)cn1 ZINC001139771155 1046517022 /nfs/dbraw/zinc/51/70/22/1046517022.db2.gz PXXDWWHZQDAPGY-KRWDZBQOSA-N 1 0 313.470 4.128 20 30 DIEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)c1 ZINC001139875424 1046538895 /nfs/dbraw/zinc/53/88/95/1046538895.db2.gz MNNTYPSOOUDNMO-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cc(F)cc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1 ZINC001139875354 1046539033 /nfs/dbraw/zinc/53/90/33/1046539033.db2.gz ZBHWSLDTZFNXQN-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c2ccccc12 ZINC001139893011 1046546888 /nfs/dbraw/zinc/54/68/88/1046546888.db2.gz DJDFTHBTEHEWFW-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO C(#CC1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC001137320792 1046550602 /nfs/dbraw/zinc/55/06/02/1046550602.db2.gz KRJHPDBDQMYPFU-UHFFFAOYSA-N 1 0 314.432 4.432 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC001137320849 1046551450 /nfs/dbraw/zinc/55/14/50/1046551450.db2.gz OMCYZBOAWYUUSW-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO C#CCCCCCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001206741142 1046573892 /nfs/dbraw/zinc/57/38/92/1046573892.db2.gz FLHFHCSAFXTLID-MRXNPFEDSA-N 1 0 314.256 4.200 20 30 DIEDRO C=CCc1cc(C[NH+]2C3CCCC2CCC3)cc(OC)c1O ZINC000678279978 1046574216 /nfs/dbraw/zinc/57/42/16/1046574216.db2.gz TZXGUQXTJRRUAH-UHFFFAOYSA-N 1 0 301.430 4.036 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1nccc2ccccc21 ZINC000678196148 1046580739 /nfs/dbraw/zinc/58/07/39/1046580739.db2.gz SFQDGKBXHCIVSU-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(C)(C)OCC)cc1 ZINC000783314001 1046580967 /nfs/dbraw/zinc/58/09/67/1046580967.db2.gz WXOUUNOIUWWBPJ-CQSZACIVSA-N 1 0 311.853 4.284 20 30 DIEDRO CCCCC[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000783331508 1046581914 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CC[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1cccc(OC)c1 ZINC001140116031 1046593709 /nfs/dbraw/zinc/59/37/09/1046593709.db2.gz OWDIOKBDPYPFLU-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO C=CC[N@@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2c1cccc2C ZINC001140118450 1046594202 /nfs/dbraw/zinc/59/42/02/1046594202.db2.gz OQDJURKXGUMZFU-UHFFFAOYSA-N 1 0 314.429 4.351 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000237390325 1046597925 /nfs/dbraw/zinc/59/79/25/1046597925.db2.gz DWWZVUKUEUCHGS-GJYPPUQNSA-N 1 0 300.446 4.283 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC001140147764 1046601471 /nfs/dbraw/zinc/60/14/71/1046601471.db2.gz VKRAFMORIHSCMC-FHWLQOOXSA-N 1 0 322.537 4.458 20 30 DIEDRO COc1cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)ccc1C ZINC001140159567 1046604587 /nfs/dbraw/zinc/60/45/87/1046604587.db2.gz KBSBBNBJVNWYLX-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(-c2cccc(Br)n2)cc1 ZINC001140175806 1046607992 /nfs/dbraw/zinc/60/79/92/1046607992.db2.gz HRBNXDFTUAHQDM-UHFFFAOYSA-N 1 0 317.230 4.129 20 30 DIEDRO CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)CC(C)(C)CCC#N ZINC000093476920 1046629472 /nfs/dbraw/zinc/62/94/72/1046629472.db2.gz RQZRXNZWSMEPTH-SFHVURJKSA-N 1 0 320.452 4.147 20 30 DIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093868669 1046641696 /nfs/dbraw/zinc/64/16/96/1046641696.db2.gz NRAHBHNNUMPENG-YXJHDRRASA-N 1 0 318.486 4.083 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000834640608 1046643240 /nfs/dbraw/zinc/64/32/40/1046643240.db2.gz PMIQXKCGLVUIMV-SJORKVTESA-N 1 0 323.440 4.046 20 30 DIEDRO C[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)c2sccc21 ZINC000834672393 1046648880 /nfs/dbraw/zinc/64/88/80/1046648880.db2.gz FVBNECGGLRPFOT-ZBEGNZNMSA-N 1 0 300.402 4.487 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)cc1 ZINC000245782545 1046650428 /nfs/dbraw/zinc/65/04/28/1046650428.db2.gz UMFWOLPLTBNMQU-UZLBHIALSA-N 1 0 323.440 4.043 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)c3ccsc32)cc1C#N ZINC000834689709 1046650545 /nfs/dbraw/zinc/65/05/45/1046650545.db2.gz RFPYAUZXPJNIGI-WBMJQRKESA-N 1 0 312.438 4.357 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000784135001 1046664559 /nfs/dbraw/zinc/66/45/59/1046664559.db2.gz RJRBOJLENNFQBZ-UHFFFAOYSA-N 1 0 321.468 4.229 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000678606655 1046677050 /nfs/dbraw/zinc/67/70/50/1046677050.db2.gz SUIIMSXYSKUICA-CQSZACIVSA-N 1 0 300.229 4.163 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000795788160 1046677193 /nfs/dbraw/zinc/67/71/93/1046677193.db2.gz GJQYHLSVEVZMJR-HXUWFJFHSA-N 1 0 318.420 4.050 20 30 DIEDRO C=C(CC)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000678623849 1046679575 /nfs/dbraw/zinc/67/95/75/1046679575.db2.gz NYMQYYXZFSMQCZ-UHFFFAOYSA-N 1 0 302.393 4.311 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cccc(Cl)c3F)sc2C1 ZINC001203031801 1046684908 /nfs/dbraw/zinc/68/49/08/1046684908.db2.gz HLPDIEOUPGSVLI-UHFFFAOYSA-N 1 0 321.808 4.144 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1 ZINC000834878509 1046695014 /nfs/dbraw/zinc/69/50/14/1046695014.db2.gz DULVENCSVPLREO-UONOGXRCSA-N 1 0 311.853 4.018 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)c1 ZINC000784546706 1046696294 /nfs/dbraw/zinc/69/62/94/1046696294.db2.gz XBROZNZCPONANL-CGTJXYLNSA-N 1 0 300.446 4.283 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH]n2)CC1 ZINC000784672638 1046706590 /nfs/dbraw/zinc/70/65/90/1046706590.db2.gz MPEZWDYAIGASCQ-OAHLLOKOSA-N 1 0 306.498 4.026 20 30 DIEDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000834904474 1046714446 /nfs/dbraw/zinc/71/44/46/1046714446.db2.gz YNTXNCRFTZVGCK-CQSZACIVSA-N 1 0 311.404 4.004 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000834902358 1046714555 /nfs/dbraw/zinc/71/45/55/1046714555.db2.gz HCYWXPCJTMDUCY-LJQANCHMSA-N 1 0 303.405 4.204 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000834907601 1046716002 /nfs/dbraw/zinc/71/60/02/1046716002.db2.gz XMPKGZLBYSKYAA-PVAVHDDUSA-N 1 0 322.493 4.014 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](Cc1cccc(F)c1)C(C)C ZINC000533462915 1046727865 /nfs/dbraw/zinc/72/78/65/1046727865.db2.gz SPQJYJMZPCJVLN-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C(C(C)C)C(C)C ZINC000678901637 1046731059 /nfs/dbraw/zinc/73/10/59/1046731059.db2.gz MGPZTGPMPABGOO-UHFFFAOYSA-N 1 0 320.502 4.173 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccco1 ZINC000796820735 1046740387 /nfs/dbraw/zinc/74/03/87/1046740387.db2.gz VYSLPPNSJCHJKT-GJZGRUSLSA-N 1 0 323.795 4.403 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccco1 ZINC000796820737 1046741194 /nfs/dbraw/zinc/74/11/94/1046741194.db2.gz VYSLPPNSJCHJKT-HUUCEWRRSA-N 1 0 323.795 4.403 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(F)c(C#N)cc1F ZINC001211994241 1046748157 /nfs/dbraw/zinc/74/81/57/1046748157.db2.gz OKXQQTVAXPHLNV-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(F)c(C#N)c1F ZINC001211994347 1046751970 /nfs/dbraw/zinc/75/19/70/1046751970.db2.gz VAXHXHLNZGHOOO-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC001140510369 1046758828 /nfs/dbraw/zinc/75/88/28/1046758828.db2.gz OCIQKAKYRUQPQA-HWOXTHGCSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679026102 1046760118 /nfs/dbraw/zinc/76/01/18/1046760118.db2.gz VTLQTBSOUZXOKB-RTBURBONSA-N 1 0 321.468 4.335 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679025750 1046760883 /nfs/dbraw/zinc/76/08/83/1046760883.db2.gz UQJYOTNZFODPGM-FCEWJHQRSA-N 1 0 321.468 4.191 20 30 DIEDRO C[C@@H](C#N)CN(CCCOc1cccc2ccccc21)C1CC1 ZINC000533596316 1046761563 /nfs/dbraw/zinc/76/15/63/1046761563.db2.gz ISHMBZHWPICMPL-INIZCTEOSA-N 1 0 308.425 4.233 20 30 DIEDRO CC#CCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000158338511 1046767347 /nfs/dbraw/zinc/76/73/47/1046767347.db2.gz XEKFWWAAGISRDT-UHFFFAOYSA-N 1 0 309.253 4.227 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccc3c(c2)CCO3)cc1 ZINC000797006579 1046771509 /nfs/dbraw/zinc/77/15/09/1046771509.db2.gz JRCYORLCJXHHIP-FQEVSTJZSA-N 1 0 323.436 4.427 20 30 DIEDRO N#Cc1ccc(CN2CCC[C@@H]2c2ccc(Cl)s2)cn1 ZINC001140544555 1046773867 /nfs/dbraw/zinc/77/38/67/1046773867.db2.gz TZDQLALMJBXXFD-CYBMUJFWSA-N 1 0 303.818 4.005 20 30 DIEDRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1ccc(C#N)nc1 ZINC001140546686 1046777321 /nfs/dbraw/zinc/77/73/21/1046777321.db2.gz QTQHIYAMDHQFKX-OAHLLOKOSA-N 1 0 301.393 4.299 20 30 DIEDRO CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140546913 1046778063 /nfs/dbraw/zinc/77/80/63/1046778063.db2.gz ZTRGANRNWRFRTH-KRWDZBQOSA-N 1 0 309.438 4.012 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](Cc1csc3ccccc13)C2 ZINC001140636537 1046820642 /nfs/dbraw/zinc/82/06/42/1046820642.db2.gz LPTJKLSZQRONMH-UHFFFAOYSA-N 1 0 304.418 4.331 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000797469167 1046838779 /nfs/dbraw/zinc/83/87/79/1046838779.db2.gz VBZZSTDVHIYQEF-UHFFFAOYSA-N 1 0 324.399 4.188 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140661392 1046843176 /nfs/dbraw/zinc/84/31/76/1046843176.db2.gz CQUVHPJNHXENJZ-UHFFFAOYSA-N 1 0 322.468 4.065 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC001140677393 1046844698 /nfs/dbraw/zinc/84/46/98/1046844698.db2.gz LIYLOTYTFSGCIW-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO CC(C)(CCc1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000322144516 1046868303 /nfs/dbraw/zinc/86/83/03/1046868303.db2.gz CJMRCRIKXYYCHA-UHFFFAOYSA-N 1 0 308.425 4.090 20 30 DIEDRO CCC(CC)CNN=C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000797786209 1046881497 /nfs/dbraw/zinc/88/14/97/1046881497.db2.gz LOJSWLZFKYNXGJ-UHFFFAOYSA-N 1 0 315.505 4.443 20 30 DIEDRO C[N@H+](Cc1ccccc1)C1CCC(=NOCc2cccnc2)CC1 ZINC000797786106 1046881781 /nfs/dbraw/zinc/88/17/81/1046881781.db2.gz HIIMGCABFRSYNN-UHFFFAOYSA-N 1 0 323.440 4.029 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(F)c(C#N)c(F)c2)cc1 ZINC001140754506 1046888995 /nfs/dbraw/zinc/88/89/95/1046888995.db2.gz BTEVHEMNEKBZAT-GFCCVEGCSA-N 1 0 316.351 4.038 20 30 DIEDRO Cc1ccc(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1C ZINC001203068774 1046910592 /nfs/dbraw/zinc/91/05/92/1046910592.db2.gz ZNMKQYRAERDKCV-UHFFFAOYSA-N 1 0 304.437 4.191 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1Cl ZINC001140809966 1046912183 /nfs/dbraw/zinc/91/21/83/1046912183.db2.gz OPTBNHLIACRDSX-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1Cl ZINC001140808161 1046912324 /nfs/dbraw/zinc/91/23/24/1046912324.db2.gz LFUDWJNYXGYGQR-UHFFFAOYSA-N 1 0 310.775 4.223 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc(C#N)c(Cl)c1 ZINC000303462879 1046919275 /nfs/dbraw/zinc/91/92/75/1046919275.db2.gz LZFCKAUXEFDWTF-AWEZNQCLSA-N 1 0 305.853 4.278 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cc(OC(F)(F)F)ccc1OC ZINC001258718075 1046925283 /nfs/dbraw/zinc/92/52/83/1046925283.db2.gz FMMJVAVSPMVINK-NSHDSACASA-N 1 0 303.324 4.038 20 30 DIEDRO C=CCSc1nc2ccccc2n1C[N@@H+](C)C1CCCC1 ZINC000798191268 1046934067 /nfs/dbraw/zinc/93/40/67/1046934067.db2.gz FYJNAWLFHHARPB-UHFFFAOYSA-N 1 0 301.459 4.146 20 30 DIEDRO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000303665899 1046940257 /nfs/dbraw/zinc/94/02/57/1046940257.db2.gz FGVGSTBDDRXCPI-KXBFYZLASA-N 1 0 308.450 4.237 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2cccc(OC)c2)cc1 ZINC000303690845 1046947287 /nfs/dbraw/zinc/94/72/87/1046947287.db2.gz ADTSOEITJUFINL-CQSZACIVSA-N 1 0 311.429 4.136 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000303742679 1046954356 /nfs/dbraw/zinc/95/43/56/1046954356.db2.gz IXCMLJJSSDLMQO-QAPCUYQASA-N 1 0 308.400 4.384 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000798501157 1046958245 /nfs/dbraw/zinc/95/82/45/1046958245.db2.gz HQTYGBKKKLKOSW-INIZCTEOSA-N 1 0 317.433 4.029 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccccc1Cl ZINC000037219067 1046966522 /nfs/dbraw/zinc/96/65/22/1046966522.db2.gz UWTNUWAKPVKTQO-ZDUSSCGKSA-N 1 0 300.789 4.093 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168274341 1046975068 /nfs/dbraw/zinc/97/50/68/1046975068.db2.gz CGTWTJLVLJZGIK-WDEREUQCSA-N 1 0 304.381 4.306 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647308548 1046975368 /nfs/dbraw/zinc/97/53/68/1046975368.db2.gz RHMCONDMCQHECQ-FUHWJXTLSA-N 1 0 309.457 4.057 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000798936699 1046990923 /nfs/dbraw/zinc/99/09/23/1046990923.db2.gz KJPSINVKEKWCMI-LSDHHAIUSA-N 1 0 322.880 4.182 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001258722402 1046994860 /nfs/dbraw/zinc/99/48/60/1046994860.db2.gz IBLCNFDKZCYHEL-BLLLJJGKSA-N 1 0 308.263 4.251 20 30 DIEDRO CCCCc1ncc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)[nH]1 ZINC001141071663 1046998189 /nfs/dbraw/zinc/99/81/89/1046998189.db2.gz ZNUFRVBHINMKTB-UHFFFAOYSA-N 1 0 322.456 4.004 20 30 DIEDRO N#Cc1cccc(OCC[N@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000303952160 1047005528 /nfs/dbraw/zinc/00/55/28/1047005528.db2.gz WARLBZRNVUSSKW-UHFFFAOYSA-N 1 0 324.424 4.365 20 30 DIEDRO Cc1ccc2c(CCNC(=[NH2+])Nc3cc(C)cc(C)c3)c[nH]c2c1 ZINC000303983355 1047012225 /nfs/dbraw/zinc/01/22/25/1047012225.db2.gz RDCIUOWTIVVOLG-UHFFFAOYSA-N 1 0 320.440 4.062 20 30 DIEDRO Cc1[nH]c2ccccc2c1CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000303976405 1047012244 /nfs/dbraw/zinc/01/22/44/1047012244.db2.gz KECPUWUJRLJAHH-UHFFFAOYSA-N 1 0 320.440 4.062 20 30 DIEDRO C=CC[N@@H+](Cc1sc(N)c(C#N)c1Cl)C1CCCCC1 ZINC001141113942 1047017499 /nfs/dbraw/zinc/01/74/99/1047017499.db2.gz WJKLUMZFWPTQPG-UHFFFAOYSA-N 1 0 309.866 4.176 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141117910 1047020195 /nfs/dbraw/zinc/02/01/95/1047020195.db2.gz BWYPAFXZTLIPOE-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000799343105 1047020787 /nfs/dbraw/zinc/02/07/87/1047020787.db2.gz AGSCDNITUHOTIX-UHFFFAOYSA-N 1 0 320.436 4.479 20 30 DIEDRO C=CCCOCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000533800477 1047022434 /nfs/dbraw/zinc/02/24/34/1047022434.db2.gz BUTOLEGGTXMTLE-UHFFFAOYSA-N 1 0 305.805 4.282 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cc(O)c(OC)c(OC)c1 ZINC001141171752 1047034381 /nfs/dbraw/zinc/03/43/81/1047034381.db2.gz GNZPAKSFCCIOBS-UHFFFAOYSA-N 1 0 309.450 4.202 20 30 DIEDRO CC1(C)CCc2cc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc2O1 ZINC001141184925 1047037476 /nfs/dbraw/zinc/03/74/76/1047037476.db2.gz RWHMJTMTVBWCAU-XGWQRUHWSA-N 1 0 310.441 4.057 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCCc2cc(F)ccc2F)c1 ZINC000304482996 1047038811 /nfs/dbraw/zinc/03/88/11/1047038811.db2.gz IZDYOGYSMJNPKB-UHFFFAOYSA-N 1 0 317.383 4.058 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000615131459 1047041380 /nfs/dbraw/zinc/04/13/80/1047041380.db2.gz NLKFDDRLANNKLS-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@H]([NH2+]CCCCCOc1ccccc1)c1cccc(C#N)c1 ZINC000615134286 1047042920 /nfs/dbraw/zinc/04/29/20/1047042920.db2.gz JIRFKTPNUNNFOT-KRWDZBQOSA-N 1 0 308.425 4.458 20 30 DIEDRO CCc1ccc(NC(=[NH2+])NCCCc2c[nH]c3ccccc23)cc1 ZINC000304736383 1047050690 /nfs/dbraw/zinc/05/06/90/1047050690.db2.gz ABIRHGIKQRGMQE-UHFFFAOYSA-N 1 0 320.440 4.090 20 30 DIEDRO CCc1ccc(NC(=[NH2+])NC[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000304754328 1047051396 /nfs/dbraw/zinc/05/13/96/1047051396.db2.gz LUUCNPPHQHKKHC-GFCCVEGCSA-N 1 0 317.383 4.058 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCc2cc(C(CC)CC)no2)c1 ZINC000304773414 1047053617 /nfs/dbraw/zinc/05/36/17/1047053617.db2.gz BFOGCKGVHNNAMZ-UHFFFAOYSA-N 1 0 314.433 4.067 20 30 DIEDRO CN(c1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1)C1CCCCC1 ZINC000799716681 1047055491 /nfs/dbraw/zinc/05/54/91/1047055491.db2.gz VDOZYBSWONVPQJ-QZTJIDSGSA-N 1 0 311.473 4.237 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)c2)s1 ZINC000799718558 1047056427 /nfs/dbraw/zinc/05/64/27/1047056427.db2.gz FQWITZCSVFHOAV-XJKSGUPXSA-N 1 0 307.422 4.069 20 30 DIEDRO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000536677045 1047067442 /nfs/dbraw/zinc/06/74/42/1047067442.db2.gz RFADPPIFGKOZIH-CQSZACIVSA-N 1 0 302.830 4.263 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000536680459 1047069771 /nfs/dbraw/zinc/06/97/71/1047069771.db2.gz RMYLFGAUJCKZFC-GFCCVEGCSA-N 1 0 304.846 4.336 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC(S)CC3)cc2)cc1 ZINC001141295752 1047079943 /nfs/dbraw/zinc/07/99/43/1047079943.db2.gz JQEGVYNFPSKQQR-UHFFFAOYSA-N 1 0 324.449 4.245 20 30 DIEDRO CSc1cc(C)ccc1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000305008156 1047086929 /nfs/dbraw/zinc/08/69/29/1047086929.db2.gz JKOLLDQXXRLDGP-UHFFFAOYSA-N 1 0 313.470 4.261 20 30 DIEDRO CCOCCC1(CNC(=[NH2+])Nc2ccc(C)c(C)c2)CCCC1 ZINC000305065922 1047089538 /nfs/dbraw/zinc/08/95/38/1047089538.db2.gz HXKSZPCFYMGFMW-UHFFFAOYSA-N 1 0 317.477 4.017 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC2(CCOC)CCC2)cc1 ZINC000305065371 1047090700 /nfs/dbraw/zinc/09/07/00/1047090700.db2.gz HTAVFXPTIJNCOV-OAHLLOKOSA-N 1 0 317.477 4.134 20 30 DIEDRO C=CCCCC[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000681134823 1047102042 /nfs/dbraw/zinc/10/20/42/1047102042.db2.gz NPKXLDLAZPYAGP-UHFFFAOYSA-N 1 0 302.443 4.265 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001116143410 1047112531 /nfs/dbraw/zinc/11/25/31/1047112531.db2.gz DNLASRZBVKEDRJ-UHFFFAOYSA-N 1 0 322.477 4.070 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000536856222 1047112869 /nfs/dbraw/zinc/11/28/69/1047112869.db2.gz FGLCQNYYRWASAI-CHWSQXEVSA-N 1 0 303.837 4.449 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000536855560 1047113348 /nfs/dbraw/zinc/11/33/48/1047113348.db2.gz BJFYODOJTGWXOE-YQQAZPJKSA-N 1 0 321.436 4.389 20 30 DIEDRO C[C@@H](CCc1ccco1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000536869212 1047116680 /nfs/dbraw/zinc/11/66/80/1047116680.db2.gz KOYLZHSJGOCMDZ-AWEZNQCLSA-N 1 0 321.342 4.261 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000536879137 1047118870 /nfs/dbraw/zinc/11/88/70/1047118870.db2.gz RKCJGCYFAPZJIJ-GFCCVEGCSA-N 1 0 309.356 4.469 20 30 DIEDRO C=CCCCC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000649254667 1047120388 /nfs/dbraw/zinc/12/03/88/1047120388.db2.gz HVQVMKOJISJQQT-GHMZBOCLSA-N 1 0 303.290 4.405 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000536985308 1047126442 /nfs/dbraw/zinc/12/64/42/1047126442.db2.gz VHLPCIIZNRUAEK-VBQJREDUSA-N 1 0 317.864 4.053 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000649425672 1047128522 /nfs/dbraw/zinc/12/85/22/1047128522.db2.gz LTJKPPIOQCIKCR-NSHDSACASA-N 1 0 303.372 4.069 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cnc(C(F)(F)F)nc1 ZINC001141460255 1047139288 /nfs/dbraw/zinc/13/92/88/1047139288.db2.gz NZOOBTOMOUWRJD-UHFFFAOYSA-N 1 0 303.372 4.288 20 30 DIEDRO CO[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC001116477772 1047147011 /nfs/dbraw/zinc/14/70/11/1047147011.db2.gz KYCJYXVYDSSSTN-WOJBJXKFSA-N 1 0 324.399 4.052 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)nn1 ZINC001141495740 1047149338 /nfs/dbraw/zinc/14/93/38/1047149338.db2.gz GKOUHEQNHMPKNO-UHFFFAOYSA-N 1 0 321.346 4.074 20 30 DIEDRO CSc1ccc(F)cc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000537292763 1047159706 /nfs/dbraw/zinc/15/97/06/1047159706.db2.gz NYDXNERXSYKADZ-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO CC(C)Cc1ccc([C@@H]([NH2+]C[C@H](C#N)CCC#N)C2CC2)cc1 ZINC000537291142 1047159726 /nfs/dbraw/zinc/15/97/26/1047159726.db2.gz MHQXWMBNUWADTL-FXAWDEMLSA-N 1 0 309.457 4.369 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000537293550 1047161078 /nfs/dbraw/zinc/16/10/78/1047161078.db2.gz WNUDPDSQCWNFQG-LSDHHAIUSA-N 1 0 324.424 4.377 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116696784 1047168207 /nfs/dbraw/zinc/16/82/07/1047168207.db2.gz UUAZRBFIZHZKEZ-UHFFFAOYSA-N 1 0 306.749 4.126 20 30 DIEDRO CCC[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccccn1 ZINC001116704609 1047170049 /nfs/dbraw/zinc/17/00/49/1047170049.db2.gz NXNJTDZZQVMIMD-SKINQDTJSA-N 1 0 305.425 4.136 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2ccccc2)CC1 ZINC001116735305 1047173055 /nfs/dbraw/zinc/17/30/55/1047173055.db2.gz STRJCZOKYPGUPY-INIZCTEOSA-N 1 0 305.425 4.196 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000537405286 1047179135 /nfs/dbraw/zinc/17/91/35/1047179135.db2.gz BQCITHHFMZWPPL-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001116824997 1047180512 /nfs/dbraw/zinc/18/05/12/1047180512.db2.gz CDVLEBHEHZOOGJ-FSPWUOQZSA-N 1 0 318.420 4.398 20 30 DIEDRO C#CCC[NH2+][C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000760297404 1047194661 /nfs/dbraw/zinc/19/46/61/1047194661.db2.gz VRFGQFNFLMKYEQ-GOSISDBHSA-N 1 0 317.404 4.389 20 30 DIEDRO C#CCC[NH2+][C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000760297483 1047195277 /nfs/dbraw/zinc/19/52/77/1047195277.db2.gz XUCOGSMIOZQVLI-SFHVURJKSA-N 1 0 317.404 4.389 20 30 DIEDRO N#CC1(CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CCCCC1 ZINC000839505240 1047242577 /nfs/dbraw/zinc/24/25/77/1047242577.db2.gz LUZWKXWZBSDWLQ-DLBZAZTESA-N 1 0 316.445 4.032 20 30 DIEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC000925316526 1047254406 /nfs/dbraw/zinc/25/44/06/1047254406.db2.gz HEGIBAZJTCBKMF-LSDHHAIUSA-N 1 0 315.461 4.089 20 30 DIEDRO CCCCCCC[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000839656121 1047255224 /nfs/dbraw/zinc/25/52/24/1047255224.db2.gz VFNFDIRYPFRPMX-LJQANCHMSA-N 1 0 319.489 4.077 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001203114210 1047292689 /nfs/dbraw/zinc/29/26/89/1047292689.db2.gz ZPZARBZGKRPDQJ-GDBMZVCRSA-N 1 0 321.848 4.336 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC2(CC2(F)F)C1 ZINC001118431387 1047295252 /nfs/dbraw/zinc/29/52/52/1047295252.db2.gz SFJPKXWXEWRWCS-ARWYELJZSA-N 1 0 302.368 4.103 20 30 DIEDRO C[C@@H](Cc1cccnc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000897970931 1047301375 /nfs/dbraw/zinc/30/13/75/1047301375.db2.gz VJXQAOVXYSGXIF-RPCJCACASA-N 1 0 319.452 4.006 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000392184587 1047304984 /nfs/dbraw/zinc/30/49/84/1047304984.db2.gz KRTYLMRCNVKCBT-QGZVFWFLSA-N 1 0 323.436 4.337 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000391924437 1047306058 /nfs/dbraw/zinc/30/60/58/1047306058.db2.gz HQQLSOXJVDQGTL-INIZCTEOSA-N 1 0 324.424 4.227 20 30 DIEDRO CCCCC1CC[NH+](Cc2ccc(C#N)c(SC)n2)CC1 ZINC001141932300 1047311491 /nfs/dbraw/zinc/31/14/91/1047311491.db2.gz WSZSBQPPZDZSDW-UHFFFAOYSA-N 1 0 303.475 4.077 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCC2CCC(F)(F)CC2)cc1 ZINC000898032038 1047313860 /nfs/dbraw/zinc/31/38/60/1047313860.db2.gz UBDCVFCVEBQMHI-CQSZACIVSA-N 1 0 322.399 4.283 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000651678356 1047321686 /nfs/dbraw/zinc/32/16/86/1047321686.db2.gz MMTAHJHBMQZMRU-FMKPAKJESA-N 1 0 319.445 4.108 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000651678358 1047322658 /nfs/dbraw/zinc/32/26/58/1047322658.db2.gz MMTAHJHBMQZMRU-LZWOXQAQSA-N 1 0 319.445 4.108 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C1 ZINC000651740843 1047325952 /nfs/dbraw/zinc/32/59/52/1047325952.db2.gz PGYGDEPAKVMZQQ-NZSAHSFTSA-N 1 0 301.474 4.123 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000398158701 1047326943 /nfs/dbraw/zinc/32/69/43/1047326943.db2.gz JOWQTLJLGPUHOT-IUODEOHRSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000398185296 1047327797 /nfs/dbraw/zinc/32/77/97/1047327797.db2.gz UWFUGDFPLORGKH-DOMZBBRYSA-N 1 0 301.352 4.073 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCC(OC)CC2)cc1 ZINC000840794471 1047332533 /nfs/dbraw/zinc/33/25/33/1047332533.db2.gz ZKWNUQAFBDYCQW-OOHWJJMZSA-N 1 0 323.864 4.426 20 30 DIEDRO Cc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000105496677 1047341231 /nfs/dbraw/zinc/34/12/31/1047341231.db2.gz ZNOFMCNEYYUMPE-OAQYLSRUSA-N 1 0 320.436 4.455 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000652063379 1047342469 /nfs/dbraw/zinc/34/24/69/1047342469.db2.gz KLHANKYVRRTWBV-OAHLLOKOSA-N 1 0 313.775 4.136 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cnccc2C(C)(C)C)cc1 ZINC000840856885 1047345810 /nfs/dbraw/zinc/34/58/10/1047345810.db2.gz VVABUQXVZFQRBB-MRXNPFEDSA-N 1 0 322.452 4.242 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000840871388 1047349354 /nfs/dbraw/zinc/34/93/54/1047349354.db2.gz DXBVZWGAHZIDBM-DLTWYDFYSA-N 1 0 323.864 4.282 20 30 DIEDRO CCC[C@H](C)[N@@H+]1Cc2ccc(N=Cc3cccc(O)c3O)cc2C1 ZINC000726429161 1047349924 /nfs/dbraw/zinc/34/99/24/1047349924.db2.gz KBDZKKGDBPDIGB-AWEZNQCLSA-N 1 0 324.424 4.353 20 30 DIEDRO CC(C)[C@H](C)[N@@H+]1Cc2ccc(N=Cc3cccc(O)c3O)cc2C1 ZINC000726428835 1047350465 /nfs/dbraw/zinc/35/04/65/1047350465.db2.gz HDEIOKYQEAMKMS-AWEZNQCLSA-N 1 0 324.424 4.209 20 30 DIEDRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424322595 1047362108 /nfs/dbraw/zinc/36/21/08/1047362108.db2.gz IIISGFMFQFRCNC-DUVNUKRYSA-N 1 0 310.363 4.308 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000840971081 1047364637 /nfs/dbraw/zinc/36/46/37/1047364637.db2.gz FPPPAIPTNJOVGW-YLJYHZDGSA-N 1 0 320.436 4.254 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000840962142 1047365179 /nfs/dbraw/zinc/36/51/79/1047365179.db2.gz FWGZJKGFVABCAT-OAQYLSRUSA-N 1 0 317.432 4.022 20 30 DIEDRO Cc1cc2cc(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)ccc2[nH]1 ZINC000796527561 1047379112 /nfs/dbraw/zinc/37/91/12/1047379112.db2.gz HQPAFRRBZFAOIS-OAHLLOKOSA-N 1 0 319.408 4.057 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(F)(F)CC2)cc1 ZINC000796543327 1047383045 /nfs/dbraw/zinc/38/30/45/1047383045.db2.gz SUCVTBRINGZSBQ-UHFFFAOYSA-N 1 0 312.363 4.456 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)C1CC2(CC([NH3+])C2)C1 ZINC001161220794 1047396386 /nfs/dbraw/zinc/39/63/86/1047396386.db2.gz CQWNDWKEVIQTLZ-UHFFFAOYSA-N 1 0 308.510 4.103 20 30 DIEDRO CC(C)COc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742006 1047407101 /nfs/dbraw/zinc/40/71/01/1047407101.db2.gz JKLHJROXIKNVSD-NRFANRHFSA-N 1 0 320.436 4.370 20 30 DIEDRO C[NH+](C)CC1CCC(/N=C/c2c(O)ccc3ccccc32)CC1 ZINC000749582018 1047426950 /nfs/dbraw/zinc/42/69/50/1047426950.db2.gz IBBGIBUNLORXQJ-FYJGNVAPSA-N 1 0 310.441 4.085 20 30 DIEDRO FC[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255706862 1047432539 /nfs/dbraw/zinc/43/25/39/1047432539.db2.gz XWNMWXUPROOOCI-OUAUKWLOSA-N 1 0 321.280 4.331 20 30 DIEDRO CCc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000841762443 1047454595 /nfs/dbraw/zinc/45/45/95/1047454595.db2.gz OLKUXZNDAVVTNB-XIKOKIGWSA-N 1 0 309.413 4.145 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(O)c1 ZINC000841761026 1047454870 /nfs/dbraw/zinc/45/48/70/1047454870.db2.gz HVOOAVALKBIHKY-IFXJQAMLSA-N 1 0 306.409 4.301 20 30 DIEDRO CCc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000841762441 1047454978 /nfs/dbraw/zinc/45/49/78/1047454978.db2.gz OLKUXZNDAVVTNB-KZULUSFZSA-N 1 0 309.413 4.145 20 30 DIEDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000841759944 1047455161 /nfs/dbraw/zinc/45/51/61/1047455161.db2.gz CGTZPNAWSGMPTP-ORAYPTAESA-N 1 0 322.408 4.001 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccnc1Cl ZINC000841761833 1047455225 /nfs/dbraw/zinc/45/52/25/1047455225.db2.gz LPDQKCXCIJPLLA-SJCJKPOMSA-N 1 0 311.816 4.335 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1O ZINC000841760232 1047455619 /nfs/dbraw/zinc/45/56/19/1047455619.db2.gz DFSMJQSZROVLOM-RBUKOAKNSA-N 1 0 306.409 4.382 20 30 DIEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000841899536 1047461887 /nfs/dbraw/zinc/46/18/87/1047461887.db2.gz WHSVITJDFWWSFA-CYBMUJFWSA-N 1 0 312.335 4.146 20 30 DIEDRO C=CCCC1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000476526105 1047462049 /nfs/dbraw/zinc/46/20/49/1047462049.db2.gz OFMFODRFMLZYPP-UHFFFAOYSA-N 1 0 312.457 4.010 20 30 DIEDRO Cc1cc(O)c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000841893760 1047462149 /nfs/dbraw/zinc/46/21/49/1047462149.db2.gz IQOYQVQNWUGOTI-IBGZPJMESA-N 1 0 306.409 4.048 20 30 DIEDRO C=C(C)C(=O)OCC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168334966 1047480185 /nfs/dbraw/zinc/48/01/85/1047480185.db2.gz AVQSCCSIAWCNEO-UHFFFAOYSA-N 1 0 321.848 4.075 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1)C1CC1 ZINC000120251047 1047487901 /nfs/dbraw/zinc/48/79/01/1047487901.db2.gz IADJFXZFZYQMAU-KXBFYZLASA-N 1 0 314.473 4.049 20 30 DIEDRO C[C@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537628097 1047488817 /nfs/dbraw/zinc/48/88/17/1047488817.db2.gz GNTPLAAYYYSRBS-INIZCTEOSA-N 1 0 306.409 4.122 20 30 DIEDRO Cc1ccccc1C1([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000842888834 1047511239 /nfs/dbraw/zinc/51/12/39/1047511239.db2.gz SJYUQVKLXDCZAU-MRXNPFEDSA-N 1 0 306.409 4.237 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc2c(c1)CCCO2 ZINC000842883598 1047511336 /nfs/dbraw/zinc/51/13/36/1047511336.db2.gz DHBWWJREPSABGQ-FQEVSTJZSA-N 1 0 320.436 4.319 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccccc2F)CCC1)c1ccc(OCC#N)cc1 ZINC000842904695 1047513226 /nfs/dbraw/zinc/51/32/26/1047513226.db2.gz FQTUNTMQOHLATR-HNNXBMFYSA-N 1 0 324.399 4.458 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ccccc21 ZINC001142912173 1047513740 /nfs/dbraw/zinc/51/37/40/1047513740.db2.gz WXCPMVDBNWNBQV-CQSZACIVSA-N 1 0 301.393 4.159 20 30 DIEDRO N#Cc1ccc2c(C[NH+]3CCC(c4cccs4)CC3)c[nH]c2c1 ZINC001142921937 1047514356 /nfs/dbraw/zinc/51/43/56/1047514356.db2.gz ZNKKUAMQQSYHIM-UHFFFAOYSA-N 1 0 321.449 4.481 20 30 DIEDRO Cc1ccc(CC[N@@H+](C)Cc2c[nH]c3cc(C#N)ccc23)cc1 ZINC001142921198 1047514969 /nfs/dbraw/zinc/51/49/69/1047514969.db2.gz JLMYHQSJFPXALP-UHFFFAOYSA-N 1 0 303.409 4.023 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000537633630 1047515254 /nfs/dbraw/zinc/51/52/54/1047515254.db2.gz NHOMSIYCEUPBBY-YVEFUNNKSA-N 1 0 300.402 4.342 20 30 DIEDRO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)C(C)(C)Cc1ccccc1 ZINC001142926498 1047516203 /nfs/dbraw/zinc/51/62/03/1047516203.db2.gz SESQZVAZROGXBL-UHFFFAOYSA-N 1 0 317.436 4.493 20 30 DIEDRO C=CCN1CC[NH+](C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001168342983 1047516501 /nfs/dbraw/zinc/51/65/01/1047516501.db2.gz BXJKAXKKAQHYHZ-UHFFFAOYSA-N 1 0 318.892 4.170 20 30 DIEDRO C=CCC[C@@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000121370468 1047520228 /nfs/dbraw/zinc/52/02/28/1047520228.db2.gz IHRVOQPVNYRZNK-CQSZACIVSA-N 1 0 307.484 4.139 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2C[C@@H](OC(C)(C)C)C2)c(O)c1 ZINC000843265020 1047535961 /nfs/dbraw/zinc/53/59/61/1047535961.db2.gz SNXPFOTUDDBBHJ-WXZBIRPKSA-N 1 0 318.461 4.003 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000092586142 1047537775 /nfs/dbraw/zinc/53/77/75/1047537775.db2.gz HMNBGRGUNKDCKS-QGZVFWFLSA-N 1 0 322.456 4.086 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)CCCOc2cccc(C#N)c2)cc1 ZINC000477161572 1047599372 /nfs/dbraw/zinc/59/93/72/1047599372.db2.gz IXSCYDZIZRTJNA-INIZCTEOSA-N 1 0 324.424 4.029 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000237496114 1047607229 /nfs/dbraw/zinc/60/72/29/1047607229.db2.gz GDKMJWBERKDYSB-INIZCTEOSA-N 1 0 316.404 4.420 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000538013522 1047652335 /nfs/dbraw/zinc/65/23/35/1047652335.db2.gz AJRRVTMSQPJNEJ-LLVKDONJSA-N 1 0 304.381 4.308 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000538158201 1047660099 /nfs/dbraw/zinc/66/00/99/1047660099.db2.gz COJFJAZJJUQRGD-HZPDHXFCSA-N 1 0 315.379 4.319 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]CCCC(C)(C)C#N)cc1OC ZINC000538163975 1047660722 /nfs/dbraw/zinc/66/07/22/1047660722.db2.gz LWWCICCHMXIPPB-AWEZNQCLSA-N 1 0 304.434 4.074 20 30 DIEDRO N#Cc1c(F)ccc(CNc2cc3c(c[nH+]2)CCCC3)c1Cl ZINC000461205987 1047670981 /nfs/dbraw/zinc/67/09/81/1047670981.db2.gz DEINJAOAOYZLEN-UHFFFAOYSA-N 1 0 315.779 4.237 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(C#N)cc1 ZINC000538406750 1047671917 /nfs/dbraw/zinc/67/19/17/1047671917.db2.gz SRHLTVNUVPMQDW-CYBMUJFWSA-N 1 0 312.363 4.219 20 30 DIEDRO CCc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000538397873 1047674839 /nfs/dbraw/zinc/67/48/39/1047674839.db2.gz YEJWSPBQLODSNT-HRAATJIYSA-N 1 0 321.468 4.074 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000538409613 1047675994 /nfs/dbraw/zinc/67/59/94/1047675994.db2.gz RWKBUNTUVABPJC-KSMMKXTCSA-N 1 0 312.388 4.124 20 30 DIEDRO COc1ccc(C[N@H+](CCC(C)(C)C#N)[C@@H](C)C2CC2)cc1 ZINC000538466867 1047680133 /nfs/dbraw/zinc/68/01/33/1047680133.db2.gz RNQNQYHGZZCYAY-HNNXBMFYSA-N 1 0 300.446 4.236 20 30 DIEDRO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(C)(C)C#N ZINC000538465310 1047680562 /nfs/dbraw/zinc/68/05/62/1047680562.db2.gz SZXTZYQXMWMQHX-CZUORRHYSA-N 1 0 306.837 4.042 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)c(F)c2)C12CCCC2 ZINC000538507422 1047684200 /nfs/dbraw/zinc/68/42/00/1047684200.db2.gz DHGLSJUXXPIIDY-JEBQAFNWSA-N 1 0 316.420 4.086 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C12CCCC2 ZINC000538507420 1047684260 /nfs/dbraw/zinc/68/42/60/1047684260.db2.gz DHGLSJUXXPIIDY-DOPJRALCSA-N 1 0 316.420 4.086 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(C#N)cc1F ZINC000461361154 1047685767 /nfs/dbraw/zinc/68/57/67/1047685767.db2.gz GOBKQRCHZDQZHA-NSHDSACASA-N 1 0 304.315 4.486 20 30 DIEDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(C#N)s2)o1 ZINC000538721772 1047701097 /nfs/dbraw/zinc/70/10/97/1047701097.db2.gz CRNVOMPAYCAVQM-WBMJQRKESA-N 1 0 300.427 4.494 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000538728226 1047701585 /nfs/dbraw/zinc/70/15/85/1047701585.db2.gz GHVFFOPLEYKSGH-UXHICEINSA-N 1 0 315.420 4.440 20 30 DIEDRO C=C(CC)C[NH2+]C(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000539095708 1047735978 /nfs/dbraw/zinc/73/59/78/1047735978.db2.gz UCUROOSUHBRCPH-UHFFFAOYSA-N 1 0 311.425 4.349 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000539225794 1047742662 /nfs/dbraw/zinc/74/26/62/1047742662.db2.gz FUZOAVPNCBAGAH-INIZCTEOSA-N 1 0 309.413 4.005 20 30 DIEDRO CCc1ccc(C(C)(C)[NH2+]Cc2cc(C#N)ccc2OC)cc1 ZINC000539358170 1047748037 /nfs/dbraw/zinc/74/80/37/1047748037.db2.gz UUSQQEJIYVCBLA-UHFFFAOYSA-N 1 0 308.425 4.154 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1cccc(C#N)c1 ZINC000927035905 1047768041 /nfs/dbraw/zinc/76/80/41/1047768041.db2.gz JJRXEHVLDMMDBO-SJORKVTESA-N 1 0 300.471 4.417 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000478207329 1047773924 /nfs/dbraw/zinc/77/39/24/1047773924.db2.gz NLVIFSIODXNTQN-FQEVSTJZSA-N 1 0 306.384 4.423 20 30 DIEDRO N#Cc1c(Nc2cccc3ccsc32)sc2c1CC[NH2+]C2 ZINC001159160138 1047817132 /nfs/dbraw/zinc/81/71/32/1047817132.db2.gz YRFWRVQVAXNADT-UHFFFAOYSA-N 1 0 311.435 4.224 20 30 DIEDRO N#Cc1c(Nc2ccc(C3CCC3)cc2)sc2c1CC[NH2+]C2 ZINC001159157975 1047817684 /nfs/dbraw/zinc/81/76/84/1047817684.db2.gz VITZQXOWEUXWJK-UHFFFAOYSA-N 1 0 309.438 4.277 20 30 DIEDRO CC(C)Cc1ccc(Nc2sc3c(c2C#N)CC[NH2+]C3)cc1 ZINC001159159467 1047817709 /nfs/dbraw/zinc/81/77/09/1047817709.db2.gz IPHGLFRNEHULSV-UHFFFAOYSA-N 1 0 311.454 4.208 20 30 DIEDRO CCCCCCCCOc1ccc(-n2ccc(=[NH2+])c(N)c2)cc1 ZINC001159287779 1047827287 /nfs/dbraw/zinc/82/72/87/1047827287.db2.gz HSPCTPNOSIEGQR-UHFFFAOYSA-N 1 0 313.445 4.278 20 30 DIEDRO Cc1c(C#N)cccc1Nc1cnccc1[C@@H]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001159387400 1047838361 /nfs/dbraw/zinc/83/83/61/1047838361.db2.gz RQXUKDUCMVDMCW-XYPHTWIQSA-N 1 0 320.440 4.236 20 30 DIEDRO Cc1ccc(Nc2cnccc2[C@@H]2C[C@H](C)C[C@H]([NH3+])C2)c(C#N)c1 ZINC001159391071 1047839020 /nfs/dbraw/zinc/83/90/20/1047839020.db2.gz PWTCTTMJFSEXIF-UXLLHSPISA-N 1 0 320.440 4.236 20 30 DIEDRO CC(C)(C)c1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001159425885 1047841447 /nfs/dbraw/zinc/84/14/47/1047841447.db2.gz DTOTZPOGEHUGAE-UHFFFAOYSA-N 1 0 305.425 4.286 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC001182844699 1047847721 /nfs/dbraw/zinc/84/77/21/1047847721.db2.gz OPZWGWLBABYDGD-CGTJXYLNSA-N 1 0 317.473 4.359 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC001182844661 1047848138 /nfs/dbraw/zinc/84/81/38/1047848138.db2.gz NUQQNVODBKZCTH-IUODEOHRSA-N 1 0 309.837 4.279 20 30 DIEDRO N#Cc1cc(Cl)c(Nc2cccc3c2CC[NH2+]C3)c(Cl)c1 ZINC001159469483 1047851280 /nfs/dbraw/zinc/85/12/80/1047851280.db2.gz GFYMFDAMGCMZKD-UHFFFAOYSA-N 1 0 318.207 4.254 20 30 DIEDRO CCC[C@H](CCc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001182853936 1047851669 /nfs/dbraw/zinc/85/16/69/1047851669.db2.gz DBPCLGVIQXAUMM-OAQYLSRUSA-N 1 0 306.453 4.492 20 30 DIEDRO N#Cc1ccc(CC[NH2+]CCCc2c(F)cccc2Cl)cc1 ZINC001182855610 1047852852 /nfs/dbraw/zinc/85/28/52/1047852852.db2.gz QJJHLUJWWMMALK-UHFFFAOYSA-N 1 0 316.807 4.116 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CCCCC1 ZINC001182929820 1047869783 /nfs/dbraw/zinc/86/97/83/1047869783.db2.gz LDJLQMRJOQUHBJ-HNNXBMFYSA-N 1 0 302.849 4.261 20 30 DIEDRO Cc1nc([C@@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)[nH]c1C ZINC001197712146 1047873888 /nfs/dbraw/zinc/87/38/88/1047873888.db2.gz YJCITZHDIBRDDY-INIZCTEOSA-N 1 0 300.450 4.028 20 30 DIEDRO N#Cc1cccc(Cl)c1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159584782 1047873808 /nfs/dbraw/zinc/87/38/08/1047873808.db2.gz OTSJVSBVNGPUCM-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO CC(C)[PH+](CCNC(=S)Nc1cccc(C#N)c1)C(C)C ZINC001197746027 1047878047 /nfs/dbraw/zinc/87/80/47/1047878047.db2.gz FEVXTVMSBGDVFG-UHFFFAOYSA-N 1 0 321.430 4.143 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001174573841 1047889924 /nfs/dbraw/zinc/88/99/24/1047889924.db2.gz GTOHRHKUMNQRJD-FQEVSTJZSA-N 1 0 315.457 4.457 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1 ZINC001204366794 1047893045 /nfs/dbraw/zinc/89/30/45/1047893045.db2.gz SKSOKCMIEQYQKB-HXUWFJFHSA-N 1 0 317.473 4.401 20 30 DIEDRO N#Cc1cc(Nc2cc(Cl)cc(Cl)c2)cc(C2C[NH2+]C2)c1 ZINC001159655850 1047895767 /nfs/dbraw/zinc/89/57/67/1047895767.db2.gz IHMXSFMNFJXXOC-UHFFFAOYSA-N 1 0 318.207 4.295 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)Cc1ccc(-c2ccccc2)cc1 ZINC001183155933 1047903468 /nfs/dbraw/zinc/90/34/68/1047903468.db2.gz JMSTXRHAZNFWAJ-XMSQKQJNSA-N 1 0 321.464 4.303 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)COCC1CCCCC1 ZINC001198001218 1047911423 /nfs/dbraw/zinc/91/14/23/1047911423.db2.gz OJWBSYLIAFXLNQ-QGZVFWFLSA-N 1 0 314.473 4.250 20 30 DIEDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC001198010278 1047914516 /nfs/dbraw/zinc/91/45/16/1047914516.db2.gz HXTWMKCPCUQECR-PXNSSMCTSA-N 1 0 320.436 4.205 20 30 DIEDRO N#Cc1ccc(C=CNc2cccc(C3CC[NH2+]CC3)c2)cc1 ZINC001159757255 1047915212 /nfs/dbraw/zinc/91/52/12/1047915212.db2.gz NTNFKXULAFVGTH-MDWZMJQESA-N 1 0 303.409 4.108 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000774618229 1047917215 /nfs/dbraw/zinc/91/72/15/1047917215.db2.gz LVVNEFZQRFYVDX-HNAYVOBHSA-N 1 0 305.437 4.316 20 30 DIEDRO C#CC[N@@H+](CCc1ccccc1F)[C@@H]1CCCc2ccccc21 ZINC001198102825 1047927864 /nfs/dbraw/zinc/92/78/64/1047927864.db2.gz AWONNGDPECBMDY-OAQYLSRUSA-N 1 0 307.412 4.381 20 30 DIEDRO Cc1cc(Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc[nH+]1 ZINC001174657743 1047937064 /nfs/dbraw/zinc/93/70/64/1047937064.db2.gz OWJNWCDAHQWJQM-UHFFFAOYSA-N 1 0 301.349 4.220 20 30 DIEDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1CCOc1ccccc1C#N ZINC001198289930 1047941423 /nfs/dbraw/zinc/94/14/23/1047941423.db2.gz WWFQBVLLSBOIBV-IBGZPJMESA-N 1 0 320.436 4.205 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC001198269615 1047944053 /nfs/dbraw/zinc/94/40/53/1047944053.db2.gz BFIKZIHOLPWDQD-JNCYCUAHSA-N 1 0 302.421 4.279 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC001183606492 1047944634 /nfs/dbraw/zinc/94/46/34/1047944634.db2.gz KGBJWLDKHQTPQU-ROUUACIJSA-N 1 0 300.446 4.213 20 30 DIEDRO N#Cc1ccc(Oc2ccc(NC=CC3CC[NH2+]CC3)cc2)cc1 ZINC001159920979 1047951286 /nfs/dbraw/zinc/95/12/86/1047951286.db2.gz XCUVMGINXQJXSP-SDNWHVSQSA-N 1 0 319.408 4.276 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC001183652260 1047952082 /nfs/dbraw/zinc/95/20/82/1047952082.db2.gz PNTMSHFCIAGVOF-RQGSJKACSA-N 1 0 322.496 4.136 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1F ZINC000774659859 1047954252 /nfs/dbraw/zinc/95/42/52/1047954252.db2.gz LVKMBCSSKQMOLO-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC001183778719 1047963292 /nfs/dbraw/zinc/96/32/92/1047963292.db2.gz AXIDKIBFJYZDNB-RBUKOAKNSA-N 1 0 323.521 4.467 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)c2nccc3ccccc32)cc1C#N ZINC001183755119 1047965006 /nfs/dbraw/zinc/96/50/06/1047965006.db2.gz PBTBNLKKXCDTTJ-OAHLLOKOSA-N 1 0 301.393 4.266 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1cccc(C#N)c1 ZINC001183802786 1047968623 /nfs/dbraw/zinc/96/86/23/1047968623.db2.gz XPAYCJQZSFQSFX-RYGJVYDSSA-N 1 0 320.436 4.455 20 30 DIEDRO N#Cc1ccc(C=CNc2ccc(CC3CC[NH2+]CC3)cc2)cc1 ZINC001160015059 1047970137 /nfs/dbraw/zinc/97/01/37/1047970137.db2.gz SSPMNLCVEYRIAX-SDNWHVSQSA-N 1 0 317.436 4.183 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001174779261 1047971364 /nfs/dbraw/zinc/97/13/64/1047971364.db2.gz CFFCUUNDKWBQOG-DVOMOZLQSA-N 1 0 312.240 4.210 20 30 DIEDRO CCCCC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC001174781279 1047972706 /nfs/dbraw/zinc/97/27/06/1047972706.db2.gz WDLIMCBYNHMMCR-RBUKOAKNSA-N 1 0 300.446 4.026 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001198707080 1047999748 /nfs/dbraw/zinc/99/97/48/1047999748.db2.gz QUVIKAQLMMNSRT-SFHVURJKSA-N 1 0 300.446 4.170 20 30 DIEDRO CCCCCCC[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001199021071 1048023333 /nfs/dbraw/zinc/02/33/33/1048023333.db2.gz BPAZOFAXPLFFQD-UHFFFAOYSA-N 1 0 317.399 4.298 20 30 DIEDRO CCCCCCC[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC001199021832 1048024600 /nfs/dbraw/zinc/02/46/00/1048024600.db2.gz NTYAPRYNNXINQZ-UHFFFAOYSA-N 1 0 321.415 4.425 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCOC1CCCCC1 ZINC001199045830 1048030914 /nfs/dbraw/zinc/03/09/14/1048030914.db2.gz UXNJPCUDXZFBGP-UHFFFAOYSA-N 1 0 300.446 4.004 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCNc1ccc(C(F)(F)F)cn1 ZINC001184398924 1048035038 /nfs/dbraw/zinc/03/50/38/1048035038.db2.gz PPBKCVPODKVCGZ-ZDUSSCGKSA-N 1 0 315.383 4.237 20 30 DIEDRO Cc1cc(C[NH2+]CCCSc2ccc(F)cc2)ccc1C#N ZINC001199084781 1048035823 /nfs/dbraw/zinc/03/58/23/1048035823.db2.gz GFWRVUBPYZHLBU-UHFFFAOYSA-N 1 0 314.429 4.278 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001184428571 1048038720 /nfs/dbraw/zinc/03/87/20/1048038720.db2.gz NJWHAECJOTZUPC-HQRMLTQVSA-N 1 0 315.457 4.394 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000773431831 1048040001 /nfs/dbraw/zinc/04/00/01/1048040001.db2.gz TUZDOLNXIPAPAH-OAHLLOKOSA-N 1 0 310.482 4.110 20 30 DIEDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001199286815 1048052661 /nfs/dbraw/zinc/05/26/61/1048052661.db2.gz VADCNIXWMFJHPV-VQIMIIECSA-N 1 0 314.473 4.173 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC001199376385 1048062587 /nfs/dbraw/zinc/06/25/87/1048062587.db2.gz GNHKLCMVCBINGF-SJLPKXTDSA-N 1 0 316.514 4.074 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000554310110 1048066731 /nfs/dbraw/zinc/06/67/31/1048066731.db2.gz IATYFBMVLPQUFJ-GOSISDBHSA-N 1 0 312.388 4.289 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000774774447 1048079412 /nfs/dbraw/zinc/07/94/12/1048079412.db2.gz ZQHFLCFNEKTWSU-CYBMUJFWSA-N 1 0 300.789 4.093 20 30 DIEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001174983566 1048080273 /nfs/dbraw/zinc/08/02/73/1048080273.db2.gz JBRLJMFNHRKTON-WMZOPIPTSA-N 1 0 311.473 4.261 20 30 DIEDRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]CC2(C#N)CC2)cc1C ZINC000776010596 1048087364 /nfs/dbraw/zinc/08/73/64/1048087364.db2.gz SDLJLRFYPNTWBM-FQEVSTJZSA-N 1 0 304.437 4.481 20 30 DIEDRO Cc1cccc(Cl)c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001175062381 1048089495 /nfs/dbraw/zinc/08/94/95/1048089495.db2.gz NYPSASBBEOZWEU-UHFFFAOYSA-N 1 0 310.828 4.273 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000554401947 1048092009 /nfs/dbraw/zinc/09/20/09/1048092009.db2.gz JGRIJIQEPZABSW-UHFFFAOYSA-N 1 0 322.374 4.321 20 30 DIEDRO CC(C)CC[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000776025017 1048101005 /nfs/dbraw/zinc/10/10/05/1048101005.db2.gz LZJYVIOFMJYRRE-MSOLQXFVSA-N 1 0 302.462 4.032 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC001175044737 1048107066 /nfs/dbraw/zinc/10/70/66/1048107066.db2.gz JNPWILHEYDBBJW-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](OC)C2)cc1 ZINC000248951210 1048112760 /nfs/dbraw/zinc/11/27/60/1048112760.db2.gz DBILFTSWVGDGOX-JLJPHGGASA-N 1 0 309.837 4.036 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)[C@H]1C[C@@H](C[NH3+])C1(C)C ZINC001161226939 1048114871 /nfs/dbraw/zinc/11/48/71/1048114871.db2.gz NBRWHVWZVDSVHR-DLBZAZTESA-N 1 0 310.526 4.207 20 30 DIEDRO C#CCC[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000776034759 1048122880 /nfs/dbraw/zinc/12/28/80/1048122880.db2.gz XFZPCOBLZFSGLY-AWEZNQCLSA-N 1 0 301.739 4.423 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000554551560 1048127969 /nfs/dbraw/zinc/12/79/69/1048127969.db2.gz ZFLCKGBHFQKCIC-INIZCTEOSA-N 1 0 313.470 4.125 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C ZINC001161493755 1048134542 /nfs/dbraw/zinc/13/45/42/1048134542.db2.gz HKVHWLJCMDNIHX-MSOLQXFVSA-N 1 0 322.537 4.458 20 30 DIEDRO CC(C)n1cncc1CNc1nc(-c2cccs2)ccc1C#N ZINC001161568792 1048138657 /nfs/dbraw/zinc/13/86/57/1048138657.db2.gz CAZNAIQUAVZIOU-UHFFFAOYSA-N 1 0 323.425 4.071 20 30 DIEDRO C=CC1(CC(=O)Nc2ccc(C[NH+](C)C)cc2F)CCCCC1 ZINC001161700017 1048156305 /nfs/dbraw/zinc/15/63/05/1048156305.db2.gz OJZHWSJLHQJUBC-UHFFFAOYSA-N 1 0 318.436 4.352 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H](C#N)c2ccccc2)nc1 ZINC001161718301 1048158618 /nfs/dbraw/zinc/15/86/18/1048158618.db2.gz UIKGCQHZFWNEHX-LPHOPBHVSA-N 1 0 320.440 4.133 20 30 DIEDRO N#C[C@H](Nc1cccc2c1C1(C=C2)CC[NH2+]CC1)c1ccccc1 ZINC001161718346 1048158911 /nfs/dbraw/zinc/15/89/11/1048158911.db2.gz NECJHPZGTIUSFC-IBGZPJMESA-N 1 0 315.420 4.011 20 30 DIEDRO CC(C)CC(C)(C)C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001200932076 1048160190 /nfs/dbraw/zinc/16/01/90/1048160190.db2.gz NPYWUJDGNGYEAI-UHFFFAOYSA-N 1 0 301.478 4.198 20 30 DIEDRO N#Cc1cccc(C#N)c1NCC1([NH+]2CCCCC2)CCCCC1 ZINC001161947760 1048196862 /nfs/dbraw/zinc/19/68/62/1048196862.db2.gz MCYIRMWHPVLLMW-UHFFFAOYSA-N 1 0 322.456 4.031 20 30 DIEDRO C[C@H]([NH2+]CCSc1ccccc1F)c1ccc(C#N)cc1 ZINC000554848770 1048207167 /nfs/dbraw/zinc/20/71/67/1048207167.db2.gz OMAOBOPOUGSLIK-ZDUSSCGKSA-N 1 0 300.402 4.140 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNc1cc(C)cc(F)c1C#N)C(C)C ZINC001162094833 1048225446 /nfs/dbraw/zinc/22/54/46/1048225446.db2.gz FXDWHJNQTMFNTO-LJQANCHMSA-N 1 0 315.436 4.116 20 30 DIEDRO Cc1cc(C)n(CC[NH2+]C#C[Si](C(C)C)(C(C)C)C(C)C)n1 ZINC001162147493 1048232090 /nfs/dbraw/zinc/23/20/90/1048232090.db2.gz CYEFCPDTGREVRU-UHFFFAOYSA-N 1 0 319.569 4.268 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C)c1ccncc1 ZINC000776154673 1048236595 /nfs/dbraw/zinc/23/65/95/1048236595.db2.gz CINLQXPXURCBOI-KSZLIROESA-N 1 0 302.462 4.128 20 30 DIEDRO CCCCCCCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000105943756 1048238235 /nfs/dbraw/zinc/23/82/35/1048238235.db2.gz GKZPZJXHYZZEKJ-OAHLLOKOSA-N 1 0 311.491 4.101 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@H](OCC)C12CCCCC2)c1ccncc1 ZINC000776155466 1048238553 /nfs/dbraw/zinc/23/85/53/1048238553.db2.gz GMKLPEVXGAYUKO-OTWHNJEPSA-N 1 0 314.473 4.416 20 30 DIEDRO Cc1cc(Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(C#N)cn1 ZINC001162177677 1048239155 /nfs/dbraw/zinc/23/91/55/1048239155.db2.gz VBZGKOSFGTZRFL-INIZCTEOSA-N 1 0 320.440 4.380 20 30 DIEDRO Cc1cc(C)c(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000776155070 1048240045 /nfs/dbraw/zinc/24/00/45/1048240045.db2.gz YPHBMFQPNUPUDS-SFHVURJKSA-N 1 0 322.452 4.408 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000776157425 1048241621 /nfs/dbraw/zinc/24/16/21/1048241621.db2.gz BLXLFOBQIRESPP-HOTGVXAUSA-N 1 0 300.446 4.456 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000776157799 1048241872 /nfs/dbraw/zinc/24/18/72/1048241872.db2.gz QVSATLIUJSXDMF-MSOLQXFVSA-N 1 0 322.452 4.488 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCC2CCOCC2)cc1 ZINC001162225916 1048245931 /nfs/dbraw/zinc/24/59/31/1048245931.db2.gz ITBJVXVIAYRDPY-HXUWFJFHSA-N 1 0 314.473 4.238 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@@H](OCC)C12CCCC2)c1ccncc1 ZINC000776159584 1048246347 /nfs/dbraw/zinc/24/63/47/1048246347.db2.gz XWWXDSXKHCVAOP-OKZBNKHCSA-N 1 0 300.446 4.026 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)o1 ZINC000776162177 1048247680 /nfs/dbraw/zinc/24/76/80/1048247680.db2.gz CRRLODNASHIGCG-GDBMZVCRSA-N 1 0 312.413 4.162 20 30 DIEDRO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000776162272 1048248350 /nfs/dbraw/zinc/24/83/50/1048248350.db2.gz DZNNFZBONYVLSZ-XLIONFOSSA-N 1 0 319.452 4.186 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000776164515 1048253745 /nfs/dbraw/zinc/25/37/45/1048253745.db2.gz IXHUJFLLAPKLEE-SJORKVTESA-N 1 0 320.436 4.045 20 30 DIEDRO N#Cc1ccc(NC2CC([NH+]3CCCCC3)C2)cc1C(F)(F)F ZINC000480841393 1048256343 /nfs/dbraw/zinc/25/63/43/1048256343.db2.gz HVFPOTVWWXEQRF-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO N#CC1(Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)CCC1 ZINC001162315875 1048261010 /nfs/dbraw/zinc/26/10/10/1048261010.db2.gz QZDOCOHSCWHKJS-UHFFFAOYSA-N 1 0 303.409 4.061 20 30 DIEDRO Cc1cc(C)cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776165457 1048261161 /nfs/dbraw/zinc/26/11/61/1048261161.db2.gz QZJQSUVKCGCMAJ-MSOLQXFVSA-N 1 0 322.452 4.488 20 30 DIEDRO Cc1cc(C)cc(C[C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776165463 1048262099 /nfs/dbraw/zinc/26/20/99/1048262099.db2.gz QZJQSUVKCGCMAJ-ZWKOTPCHSA-N 1 0 322.452 4.488 20 30 DIEDRO CC(C)[PH+](CCNc1nc(Cl)c(F)cc1C#N)C(C)C ZINC001162357033 1048266621 /nfs/dbraw/zinc/26/66/21/1048266621.db2.gz ADSAQFURZISWQS-UHFFFAOYSA-N 1 0 315.760 4.456 20 30 DIEDRO Cc1oc(Nc2ccc(C[NH+]3CCCCC3)cc2)c(C#N)c1C ZINC001175361756 1048276626 /nfs/dbraw/zinc/27/66/26/1048276626.db2.gz XECRLKMHEHGEBX-UHFFFAOYSA-N 1 0 309.413 4.498 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+](C[C@H](C)CCC=C(C)C)CC2 ZINC001201486847 1048277892 /nfs/dbraw/zinc/27/78/92/1048277892.db2.gz NBTPYCPIKLWPME-GOSISDBHSA-N 1 0 318.505 4.012 20 30 DIEDRO C#CCCCNc1ccc(C(F)(F)F)cc1C[NH+](CC)CC ZINC001162446743 1048281391 /nfs/dbraw/zinc/28/13/91/1048281391.db2.gz RGQZHQRQYVLSQV-UHFFFAOYSA-N 1 0 312.379 4.373 20 30 DIEDRO C#CC1(Nc2[nH+]ccc3cc(OC)c(OC)cc32)CCCCC1 ZINC001162479771 1048285745 /nfs/dbraw/zinc/28/57/45/1048285745.db2.gz NLLSDTGCXNFAEH-UHFFFAOYSA-N 1 0 310.397 4.000 20 30 DIEDRO C#CC1(Nc2cc3cc(OC)c(OC)cc3c[nH+]2)CCCCC1 ZINC001162479761 1048286442 /nfs/dbraw/zinc/28/64/42/1048286442.db2.gz MRYPBLNJRHAYQV-UHFFFAOYSA-N 1 0 310.397 4.000 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000775006803 1048289160 /nfs/dbraw/zinc/28/91/60/1048289160.db2.gz CELMSQRBIWJWDK-OAHLLOKOSA-N 1 0 301.430 4.081 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3ccccc3Cl)CC2)C1 ZINC001175436078 1048306170 /nfs/dbraw/zinc/30/61/70/1048306170.db2.gz DRLMLIBFYJUYFN-NVXWUHKLSA-N 1 0 302.849 4.287 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1 ZINC001201522308 1048309810 /nfs/dbraw/zinc/30/98/10/1048309810.db2.gz NJHCIXDIOPQLQY-QGZVFWFLSA-N 1 0 319.326 4.281 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]C[C@@H]3CCC=CO3)c2)s1 ZINC000775028187 1048314245 /nfs/dbraw/zinc/31/42/45/1048314245.db2.gz NFIWSAQBADQCQH-INIZCTEOSA-N 1 0 310.422 4.069 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000775027404 1048314576 /nfs/dbraw/zinc/31/45/76/1048314576.db2.gz DPXYOVPRBZTFME-LPHOPBHVSA-N 1 0 308.425 4.261 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@@H](CC)CCCC)C2 ZINC001201565853 1048319777 /nfs/dbraw/zinc/31/97/77/1048319777.db2.gz LAORQPMPYWYNFT-FHWLQOOXSA-N 1 0 309.494 4.029 20 30 DIEDRO CCN(CCC#N)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000555321856 1048319796 /nfs/dbraw/zinc/31/97/96/1048319796.db2.gz DWRDBQSIIXBRPZ-UHFFFAOYSA-N 1 0 314.379 4.332 20 30 DIEDRO COc1ccc(C#N)cc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001201584211 1048323496 /nfs/dbraw/zinc/32/34/96/1048323496.db2.gz QCWDMQWLMCGFGL-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO CC#CC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001175486653 1048324377 /nfs/dbraw/zinc/32/43/77/1048324377.db2.gz XHFVOBGAPWMRJG-MRXNPFEDSA-N 1 0 313.338 4.265 20 30 DIEDRO CCc1ccc([C@@H](CNc2ncccc2C#N)[NH+](CC)CC)cc1 ZINC001186594884 1048324670 /nfs/dbraw/zinc/32/46/70/1048324670.db2.gz ZDXTZVSDUMMJGH-LJQANCHMSA-N 1 0 322.456 4.011 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001201630973 1048327610 /nfs/dbraw/zinc/32/76/10/1048327610.db2.gz JTKDGTWLMREIBO-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2cc(F)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001162679907 1048333584 /nfs/dbraw/zinc/33/35/84/1048333584.db2.gz ATNSRZLAHCLOIY-BEFAXECRSA-N 1 0 323.415 4.162 20 30 DIEDRO Cc1cccc(NC2=CC[N@H+](Cc3ccccc3)CC2)c1C#N ZINC001175506297 1048339519 /nfs/dbraw/zinc/33/95/19/1048339519.db2.gz TVCFRILBFACQBR-UHFFFAOYSA-N 1 0 303.409 4.068 20 30 DIEDRO N#Cc1ccccc1O[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC001201673781 1048340563 /nfs/dbraw/zinc/34/05/63/1048340563.db2.gz NHJMVOUBGNOCCQ-HXUWFJFHSA-N 1 0 320.436 4.034 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(OCc2cccnc2)cc1 ZINC000555420873 1048343673 /nfs/dbraw/zinc/34/36/73/1048343673.db2.gz PRCAAXMSJMOFOF-FRQCXROJSA-N 1 0 321.424 4.003 20 30 DIEDRO CC(C)Oc1ccccc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC001175523095 1048353521 /nfs/dbraw/zinc/35/35/21/1048353521.db2.gz OWAOPOZQBKFKRA-UHFFFAOYSA-N 1 0 308.425 4.020 20 30 DIEDRO CC[N@H+](Cc1cccc2n[nH]cc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000600108381 1048362496 /nfs/dbraw/zinc/36/24/96/1048362496.db2.gz WKNPNQBTKLVHTQ-AWEZNQCLSA-N 1 0 304.397 4.018 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1OC ZINC000775070694 1048365733 /nfs/dbraw/zinc/36/57/33/1048365733.db2.gz COWVZRHWERDGHM-LJQANCHMSA-N 1 0 324.424 4.077 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1OC ZINC000775070692 1048365807 /nfs/dbraw/zinc/36/58/07/1048365807.db2.gz COWVZRHWERDGHM-IBGZPJMESA-N 1 0 324.424 4.077 20 30 DIEDRO C[C@]1(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCCS1 ZINC000600121500 1048367351 /nfs/dbraw/zinc/36/73/51/1048367351.db2.gz VFHXGRXUCQYJLS-RCCFBDPRSA-N 1 0 300.471 4.044 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000600158953 1048373708 /nfs/dbraw/zinc/37/37/08/1048373708.db2.gz ONIAETQHAYNIRD-QZTJIDSGSA-N 1 0 311.473 4.155 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C(=O)OCC)n1)c1ccccc1 ZINC000600142430 1048375464 /nfs/dbraw/zinc/37/54/64/1048375464.db2.gz MXPIDOWLPKEKFP-GOSISDBHSA-N 1 0 324.424 4.055 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ccc(C)nc2)cc1 ZINC001162876042 1048375646 /nfs/dbraw/zinc/37/56/46/1048375646.db2.gz HPLUOYPPACKKMP-HXUWFJFHSA-N 1 0 307.441 4.325 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001201814672 1048376940 /nfs/dbraw/zinc/37/69/40/1048376940.db2.gz RNQNYUXBAGYUGL-IBGZPJMESA-N 1 0 323.521 4.397 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000481345069 1048376979 /nfs/dbraw/zinc/37/69/79/1048376979.db2.gz MIDCUNCIAPEVMB-HXUWFJFHSA-N 1 0 319.452 4.489 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CC1)c1cccc(F)c1NC2=O ZINC001201776858 1048377235 /nfs/dbraw/zinc/37/72/35/1048377235.db2.gz OFTWRNIWNKSLSR-UHFFFAOYSA-N 1 0 318.436 4.082 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC001201776786 1048378233 /nfs/dbraw/zinc/37/82/33/1048378233.db2.gz LHBBSYIWZFQGOL-UHFFFAOYSA-N 1 0 314.473 4.333 20 30 DIEDRO CCCCCCC[NH+]1CCC(N2c3ccccc3CC2=O)CC1 ZINC001201787595 1048379271 /nfs/dbraw/zinc/37/92/71/1048379271.db2.gz FULZRAAZABBUFO-UHFFFAOYSA-N 1 0 314.473 4.011 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001201787889 1048379950 /nfs/dbraw/zinc/37/99/50/1048379950.db2.gz PHAHTJWNILBCMT-INIZCTEOSA-N 1 0 312.498 4.194 20 30 DIEDRO CCCCCCCCCCN(C)Cc1nnc2ccccn21 ZINC001201852803 1048380772 /nfs/dbraw/zinc/38/07/72/1048380772.db2.gz MJKYAVTVZWKCBQ-UHFFFAOYSA-N 1 0 302.466 4.302 20 30 DIEDRO CCCCCCCCC[NH+]1CCC2(CC(=O)N(CC)C2)CC1 ZINC001201852826 1048380963 /nfs/dbraw/zinc/38/09/63/1048380963.db2.gz NIBIXQHGJNFHRP-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001201826341 1048383634 /nfs/dbraw/zinc/38/36/34/1048383634.db2.gz SMMDGZQPXRAMGW-MOPGFXCFSA-N 1 0 309.494 4.007 20 30 DIEDRO CCCCCCCC[NH+]1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001201825760 1048383685 /nfs/dbraw/zinc/38/36/85/1048383685.db2.gz FSRURQJAMUZITA-UHFFFAOYSA-N 1 0 312.498 4.194 20 30 DIEDRO CCCCCCCC[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC001201826345 1048383870 /nfs/dbraw/zinc/38/38/70/1048383870.db2.gz SMWOPSQIPULXRB-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCCCCCCC)C2 ZINC001201826371 1048383963 /nfs/dbraw/zinc/38/39/63/1048383963.db2.gz TZMPVQCXORTJRZ-RBUKOAKNSA-N 1 0 309.494 4.173 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001201840250 1048387776 /nfs/dbraw/zinc/38/77/76/1048387776.db2.gz RAAQSLZOZCWUEF-UHFFFAOYSA-N 1 0 320.521 4.071 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001201840269 1048388082 /nfs/dbraw/zinc/38/80/82/1048388082.db2.gz XPUGLROPUPLVLG-KRWDZBQOSA-N 1 0 321.509 4.106 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@@]2(CCN(CC)C2=O)C1 ZINC001201847540 1048390122 /nfs/dbraw/zinc/39/01/22/1048390122.db2.gz WZFRMTFGFOTBMH-LJQANCHMSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001201875115 1048393933 /nfs/dbraw/zinc/39/39/33/1048393933.db2.gz PYHGFJGGBYLHKZ-UHFFFAOYSA-N 1 0 321.509 4.376 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(N2CCOC2=O)CC1 ZINC001201874692 1048393991 /nfs/dbraw/zinc/39/39/91/1048393991.db2.gz CROLYLWPBPTKPL-UHFFFAOYSA-N 1 0 310.482 4.044 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CCCNC2=O)CC1 ZINC001201874955 1048394335 /nfs/dbraw/zinc/39/43/35/1048394335.db2.gz MKLYLTAWVIXQNJ-UHFFFAOYSA-N 1 0 308.510 4.119 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775130252 1048412944 /nfs/dbraw/zinc/41/29/44/1048412944.db2.gz NSAWSAYQWOVYHZ-LEWJYISDSA-N 1 0 322.452 4.359 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000775141532 1048432286 /nfs/dbraw/zinc/43/22/86/1048432286.db2.gz DGWYFIHXYSFPFV-QGZVFWFLSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCCCCCCCCOC1CC[NH+](CCCOC)CC1 ZINC001224507955 1048443555 /nfs/dbraw/zinc/44/35/55/1048443555.db2.gz ORINKPSZLCUFTF-UHFFFAOYSA-N 1 0 311.510 4.421 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1 ZINC001202084003 1048444183 /nfs/dbraw/zinc/44/41/83/1048444183.db2.gz OZSIGIDFUNYEDT-RBUKOAKNSA-N 1 0 319.489 4.285 20 30 DIEDRO CC(C)(C)CC[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001202096212 1048449104 /nfs/dbraw/zinc/44/91/04/1048449104.db2.gz KOSNAAGGZZUEQR-UHFFFAOYSA-N 1 0 320.864 4.491 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCSC1 ZINC000555841415 1048450268 /nfs/dbraw/zinc/45/02/68/1048450268.db2.gz KLYONBRSRKHHIX-GOSISDBHSA-N 1 0 308.450 4.163 20 30 DIEDRO Cc1oc(-c2cccs2)nc1C[NH2+]CC1CCC(C#N)CC1 ZINC001202142524 1048461859 /nfs/dbraw/zinc/46/18/59/1048461859.db2.gz IOBGPYDHQUAMCJ-UHFFFAOYSA-N 1 0 315.442 4.131 20 30 DIEDRO C=CCCCC[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC001202110698 1048463431 /nfs/dbraw/zinc/46/34/31/1048463431.db2.gz JAYXGCNQMFSGOW-UHFFFAOYSA-N 1 0 302.443 4.265 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000776254643 1048466784 /nfs/dbraw/zinc/46/67/84/1048466784.db2.gz IWMCCPOCADBFBH-NSHDSACASA-N 1 0 303.475 4.451 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc2ccccc2nc1OC)c1ccccc1 ZINC000776253565 1048467218 /nfs/dbraw/zinc/46/72/18/1048467218.db2.gz XYBUSXIYHZSIMM-IBGZPJMESA-N 1 0 316.404 4.098 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)sc1Cl ZINC001202185155 1048473384 /nfs/dbraw/zinc/47/33/84/1048473384.db2.gz YXMRSOBJQJMYGT-BXKDBHETSA-N 1 0 306.258 4.126 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000481816362 1048491009 /nfs/dbraw/zinc/49/10/09/1048491009.db2.gz RCJUFNGGOLUPOR-CHWSQXEVSA-N 1 0 300.402 4.185 20 30 DIEDRO [NH2+]=C(Nc1ccc2[nH]ccc2c1)c1ccc(C(F)(F)F)cc1 ZINC001163680284 1048502746 /nfs/dbraw/zinc/50/27/46/1048502746.db2.gz MNQGUBFTZUBUMR-UHFFFAOYSA-N 1 0 303.287 4.224 20 30 DIEDRO CCc1cc(OC)ccc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163680337 1048503196 /nfs/dbraw/zinc/50/31/96/1048503196.db2.gz ORDLKIVYNROWES-UHFFFAOYSA-N 1 0 322.330 4.313 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000775172771 1048516691 /nfs/dbraw/zinc/51/66/91/1048516691.db2.gz JBUOSHCSSIHEDH-OKZBNKHCSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000775172768 1048517274 /nfs/dbraw/zinc/51/72/74/1048517274.db2.gz JBUOSHCSSIHEDH-KSZLIROESA-N 1 0 310.526 4.362 20 30 DIEDRO C=CCc1cc(C)cnc1-n1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC001163757262 1048518854 /nfs/dbraw/zinc/51/88/54/1048518854.db2.gz RAHBVLTUQXLSHO-UHFFFAOYSA-N 1 0 305.425 4.138 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(CCOC)CCCCC2)cc1 ZINC001202365374 1048533274 /nfs/dbraw/zinc/53/32/74/1048533274.db2.gz CMUMWUMSMBCDPX-UHFFFAOYSA-N 1 0 317.473 4.328 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)CCCC1 ZINC001202381877 1048539467 /nfs/dbraw/zinc/53/94/67/1048539467.db2.gz QRNZXKNWEWMSLN-OAHLLOKOSA-N 1 0 315.457 4.245 20 30 DIEDRO N#Cc1cc2c(cccc2-n2c(C[NH3+])cc3cc(Cl)ccc32)[nH]1 ZINC001163898526 1048545178 /nfs/dbraw/zinc/54/51/78/1048545178.db2.gz QBEMUYKKBJQZJR-UHFFFAOYSA-N 1 0 320.783 4.096 20 30 DIEDRO C[N@H+](CCSc1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC001188969614 1048574833 /nfs/dbraw/zinc/57/48/33/1048574833.db2.gz DCEUTTSUVXOADW-UHFFFAOYSA-N 1 0 316.857 4.436 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000781421895 1048578289 /nfs/dbraw/zinc/57/82/89/1048578289.db2.gz ILHAOFYKYNUJHY-MFWIUYSUSA-N 1 0 300.446 4.282 20 30 DIEDRO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CCOCCC#N)cc1 ZINC000338917655 1048578399 /nfs/dbraw/zinc/57/83/99/1048578399.db2.gz XYAPNQLBFIGEIS-SFHVURJKSA-N 1 0 300.446 4.051 20 30 DIEDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000107320020 1048579257 /nfs/dbraw/zinc/57/92/57/1048579257.db2.gz ACDCEPHGLKIKHU-IRXDYDNUSA-N 1 0 308.425 4.445 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]CCCOc2ccc(C#N)cc2)c1 ZINC000775211301 1048582089 /nfs/dbraw/zinc/58/20/89/1048582089.db2.gz CTGIPTIASINJJZ-INIZCTEOSA-N 1 0 324.424 4.077 20 30 DIEDRO N#Cc1c2c(sc1Nc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC001176194515 1048590813 /nfs/dbraw/zinc/59/08/13/1048590813.db2.gz LOAYGNMOWLVSKY-UHFFFAOYSA-N 1 0 323.465 4.448 20 30 DIEDRO N#CC1CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000159838051 1048600915 /nfs/dbraw/zinc/60/09/15/1048600915.db2.gz PBLUBKJCTLGDIA-UHFFFAOYSA-N 1 0 322.408 4.093 20 30 DIEDRO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000158606637 1048604765 /nfs/dbraw/zinc/60/47/65/1048604765.db2.gz GPAJNFDGEYJQEM-PMACEKPBSA-N 1 0 309.457 4.165 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccncc1 ZINC000850138057 1048619717 /nfs/dbraw/zinc/61/97/17/1048619717.db2.gz YVBSICVGNNXIKM-KRWDZBQOSA-N 1 0 312.388 4.169 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccncc1 ZINC000850138058 1048620070 /nfs/dbraw/zinc/62/00/70/1048620070.db2.gz YVBSICVGNNXIKM-QGZVFWFLSA-N 1 0 312.388 4.169 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccncc1 ZINC000850137621 1048620691 /nfs/dbraw/zinc/62/06/91/1048620691.db2.gz QXQKLOCGWGBUSS-LJQANCHMSA-N 1 0 303.409 4.044 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C3(C#N)CC3)cc1)CCC2 ZINC000850238787 1048627008 /nfs/dbraw/zinc/62/70/08/1048627008.db2.gz BVWWYTAGFJKDTQ-INIZCTEOSA-N 1 0 323.465 4.174 20 30 DIEDRO C[C@]1(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1(Cl)Cl ZINC000850314933 1048632611 /nfs/dbraw/zinc/63/26/11/1048632611.db2.gz ILWBKKQGAAGYGL-HNNXBMFYSA-N 1 0 323.267 4.305 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc3occc3c2)cc1 ZINC000850354613 1048636210 /nfs/dbraw/zinc/63/62/10/1048636210.db2.gz QATUNOQQXQLVEO-UHFFFAOYSA-N 1 0 319.408 4.072 20 30 DIEDRO N#CCOc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CCC2)cc1 ZINC001176304899 1048641160 /nfs/dbraw/zinc/64/11/60/1048641160.db2.gz TUYJINFJHRNDAJ-UHFFFAOYSA-N 1 0 324.399 4.283 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOCC1 ZINC000850368684 1048642340 /nfs/dbraw/zinc/64/23/40/1048642340.db2.gz OQSZZRGRBRTPOS-UHFFFAOYSA-N 1 0 323.436 4.274 20 30 DIEDRO N#C[C@@H](S[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001189583335 1048643982 /nfs/dbraw/zinc/64/39/82/1048643982.db2.gz OBNLLONXTMOPCM-RBUKOAKNSA-N 1 0 314.498 4.467 20 30 DIEDRO Cc1ccc2oc(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)cc2c1 ZINC000850377127 1048644224 /nfs/dbraw/zinc/64/42/24/1048644224.db2.gz YEPNALDJOJITDB-HNNXBMFYSA-N 1 0 320.392 4.322 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCc3c(C)cccc32)cc1C#N ZINC000850411721 1048650047 /nfs/dbraw/zinc/65/00/47/1048650047.db2.gz JJMUZXORBIIFMS-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000482639364 1048650653 /nfs/dbraw/zinc/65/06/53/1048650653.db2.gz DIHHJEZUTFTDCK-KRWDZBQOSA-N 1 0 321.468 4.050 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccccc2SCC)CC1 ZINC000482640600 1048650701 /nfs/dbraw/zinc/65/07/01/1048650701.db2.gz GXJNIENIHBOZLS-OAHLLOKOSA-N 1 0 304.503 4.100 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1 ZINC000850427955 1048654021 /nfs/dbraw/zinc/65/40/21/1048654021.db2.gz IKPBLEXFZNBUDJ-GJZGRUSLSA-N 1 0 306.409 4.295 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@@H]3COC4(CCC4)C3)c2)s1 ZINC000850437869 1048656807 /nfs/dbraw/zinc/65/68/07/1048656807.db2.gz UKHLOAHPQFMRJK-INIZCTEOSA-N 1 0 324.449 4.088 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cc2cnccc2o1 ZINC000850444629 1048658945 /nfs/dbraw/zinc/65/89/45/1048658945.db2.gz YPVJHFOTJWWISB-KBPBESRZSA-N 1 0 321.380 4.142 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000850445946 1048659029 /nfs/dbraw/zinc/65/90/29/1048659029.db2.gz YCILXYTVQYRWRH-OAHLLOKOSA-N 1 0 311.425 4.311 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)c1 ZINC000775305119 1048660532 /nfs/dbraw/zinc/66/05/32/1048660532.db2.gz KSDFSIKLGHGHCI-YVWKXTFCSA-N 1 0 312.457 4.450 20 30 DIEDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC001176365429 1048662271 /nfs/dbraw/zinc/66/22/71/1048662271.db2.gz PTNHBWAJSAPUIZ-HNAYVOBHSA-N 1 0 308.400 4.465 20 30 DIEDRO Cc1cc(C)cc(C[C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000237522862 1048662321 /nfs/dbraw/zinc/66/23/21/1048662321.db2.gz WQAHRQYKYCSXAJ-ROUUACIJSA-N 1 0 322.452 4.315 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCO2 ZINC000850466930 1048666883 /nfs/dbraw/zinc/66/68/83/1048666883.db2.gz YEPNDDHOAAGERM-JLTOFOAXSA-N 1 0 318.420 4.221 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCO2 ZINC000850466934 1048667422 /nfs/dbraw/zinc/66/74/22/1048667422.db2.gz YEPNDDHOAAGERM-XOBRGWDASA-N 1 0 318.420 4.221 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000850526502 1048679196 /nfs/dbraw/zinc/67/91/96/1048679196.db2.gz VQOQJIILQHPEMZ-GDBMZVCRSA-N 1 0 321.848 4.180 20 30 DIEDRO N#CC1(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)CCCCC1 ZINC000850549022 1048688946 /nfs/dbraw/zinc/68/89/46/1048688946.db2.gz CMJLRPDVLVBYJT-IBGZPJMESA-N 1 0 312.457 4.218 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC1SCCS1 ZINC000850568847 1048695996 /nfs/dbraw/zinc/69/59/96/1048695996.db2.gz LDXUZAHGWCUTGD-INIZCTEOSA-N 1 0 318.511 4.112 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)cc1 ZINC000850571970 1048699343 /nfs/dbraw/zinc/69/93/43/1048699343.db2.gz XFCGZTNQIJMUNB-GOEBONIOSA-N 1 0 323.864 4.284 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)cc1 ZINC000850571972 1048699409 /nfs/dbraw/zinc/69/94/09/1048699409.db2.gz XFCGZTNQIJMUNB-HOCLYGCPSA-N 1 0 323.864 4.284 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)cc1 ZINC000850571968 1048699845 /nfs/dbraw/zinc/69/98/45/1048699845.db2.gz XFCGZTNQIJMUNB-GDBMZVCRSA-N 1 0 323.864 4.284 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775364407 1048702238 /nfs/dbraw/zinc/70/22/38/1048702238.db2.gz QBPFJLCTFMLMIM-MRXNPFEDSA-N 1 0 310.441 4.168 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000237535532 1048702082 /nfs/dbraw/zinc/70/20/82/1048702082.db2.gz ODUZFDPXYLAPFO-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO C=C(CC)C[N@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000483077530 1048733570 /nfs/dbraw/zinc/73/35/70/1048733570.db2.gz MXXMTIGBDRQIEJ-UHFFFAOYSA-N 1 0 310.441 4.101 20 30 DIEDRO N#Cc1ccnc(C[N@H+](Cc2ccccc2)C2CCCCC2)c1 ZINC001190476577 1048738247 /nfs/dbraw/zinc/73/82/47/1048738247.db2.gz WPMZBXSSUZXCQO-UHFFFAOYSA-N 1 0 305.425 4.288 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C)c(C#N)c1 ZINC001190458143 1048742269 /nfs/dbraw/zinc/74/22/69/1048742269.db2.gz XWWSBLKOUMNPEU-UHFFFAOYSA-N 1 0 306.409 4.064 20 30 DIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000775400957 1048758162 /nfs/dbraw/zinc/75/81/62/1048758162.db2.gz VASHTCQMDPYWRX-IBGZPJMESA-N 1 0 320.436 4.103 20 30 DIEDRO CCN(C)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC001190635202 1048768606 /nfs/dbraw/zinc/76/86/06/1048768606.db2.gz GANKDFGLUUBABB-UHFFFAOYSA-N 1 0 321.468 4.425 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483279727 1048769339 /nfs/dbraw/zinc/76/93/39/1048769339.db2.gz IFTLTACKAPJGAJ-UONOGXRCSA-N 1 0 315.848 4.174 20 30 DIEDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000483280469 1048769861 /nfs/dbraw/zinc/76/98/61/1048769861.db2.gz LCHCIJOLYZQABV-SFHVURJKSA-N 1 0 311.429 4.169 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ccccc1 ZINC000775401221 1048770701 /nfs/dbraw/zinc/77/07/01/1048770701.db2.gz WUIUSWYZELGDMA-INIZCTEOSA-N 1 0 301.336 4.142 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cc(-c2ccc(OC)cc2)no1 ZINC001176797616 1048787793 /nfs/dbraw/zinc/78/77/93/1048787793.db2.gz BDUOPAVDYNCKPK-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000775413795 1048788289 /nfs/dbraw/zinc/78/82/89/1048788289.db2.gz BUAWFZZAIKSGBQ-LEWJYISDSA-N 1 0 300.405 4.290 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC001176771594 1048788646 /nfs/dbraw/zinc/78/86/46/1048788646.db2.gz NFQLBETXAIBIKC-MRXNPFEDSA-N 1 0 318.486 4.391 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000775413798 1048789183 /nfs/dbraw/zinc/78/91/83/1048789183.db2.gz BUAWFZZAIKSGBQ-SFTDATJTSA-N 1 0 300.405 4.290 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001176771764 1048789719 /nfs/dbraw/zinc/78/97/19/1048789719.db2.gz URCJVGNNKHOQHO-INIZCTEOSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC001176797864 1048790057 /nfs/dbraw/zinc/79/00/57/1048790057.db2.gz GHMYMVHPDOYDEX-IRXDYDNUSA-N 1 0 314.473 4.031 20 30 DIEDRO N#CCOc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000775415150 1048790590 /nfs/dbraw/zinc/79/05/90/1048790590.db2.gz LESCXUKRDDHMAC-UHFFFAOYSA-N 1 0 312.800 4.021 20 30 DIEDRO Cc1c[nH+]c(N2CCC(Cc3ccc(C#N)cc3)CC2)cc1C ZINC001166766259 1048791450 /nfs/dbraw/zinc/79/14/50/1048791450.db2.gz BKUKVRBDMYIAMU-UHFFFAOYSA-N 1 0 305.425 4.029 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC001176798688 1048794367 /nfs/dbraw/zinc/79/43/67/1048794367.db2.gz WGKAUUHTFSUXNV-HOTGVXAUSA-N 1 0 320.502 4.088 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001190944845 1048806760 /nfs/dbraw/zinc/80/67/60/1048806760.db2.gz SSDZMDDGEMCZCK-HXUWFJFHSA-N 1 0 308.400 4.251 20 30 DIEDRO Cc1ccc(C[N@H+](Cc2ccc(C#N)c(F)c2)C(C)C)s1 ZINC000483515691 1048811355 /nfs/dbraw/zinc/81/13/55/1048811355.db2.gz DXVWAWDMSNXBSS-UHFFFAOYSA-N 1 0 302.418 4.478 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C(C)(C)O)cc1 ZINC000924787370 1048818102 /nfs/dbraw/zinc/81/81/02/1048818102.db2.gz WRWVEDPPIMETKQ-LSDHHAIUSA-N 1 0 308.425 4.197 20 30 DIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)cc1 ZINC000483538196 1048818830 /nfs/dbraw/zinc/81/88/30/1048818830.db2.gz AHFZMYMCLSWNAL-HXUWFJFHSA-N 1 0 324.399 4.433 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483578163 1048821242 /nfs/dbraw/zinc/82/12/42/1048821242.db2.gz HXFQOSLLYODDAM-FQEVSTJZSA-N 1 0 324.399 4.215 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000852102502 1048823018 /nfs/dbraw/zinc/82/30/18/1048823018.db2.gz YOADXQBXHUEMOU-KKSFZXQISA-N 1 0 320.436 4.072 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000903132024 1048825241 /nfs/dbraw/zinc/82/52/41/1048825241.db2.gz WBGGXHVEPLCSAT-IFXJQAMLSA-N 1 0 324.380 4.019 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)C1 ZINC001177117130 1048827415 /nfs/dbraw/zinc/82/74/15/1048827415.db2.gz JDNFBZLOBSOLHU-SQNIBIBYSA-N 1 0 302.462 4.141 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001191038193 1048828808 /nfs/dbraw/zinc/82/88/08/1048828808.db2.gz GJAQRNYVPPXJQZ-FQEVSTJZSA-N 1 0 322.477 4.465 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000483631290 1048829264 /nfs/dbraw/zinc/82/92/64/1048829264.db2.gz AYVKUKRVCCTQTE-RDJZCZTQSA-N 1 0 313.445 4.446 20 30 DIEDRO C=CCOc1c(Cl)cc(CN2CCC=C(C)C2)cc1OC ZINC001205548224 1048829809 /nfs/dbraw/zinc/82/98/09/1048829809.db2.gz QLKBBGHYKLTRPB-UHFFFAOYSA-N 1 0 307.821 4.065 20 30 DIEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cc(C#N)cs1 ZINC000093492433 1048830383 /nfs/dbraw/zinc/83/03/83/1048830383.db2.gz SPACULDYUIBLDZ-OAHLLOKOSA-N 1 0 300.427 4.325 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000776574269 1048830657 /nfs/dbraw/zinc/83/06/57/1048830657.db2.gz GBQOOPAXGYJOBO-OAHLLOKOSA-N 1 0 306.837 4.123 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483651226 1048831578 /nfs/dbraw/zinc/83/15/78/1048831578.db2.gz JONFQSKMWNASFL-UBHSHLNASA-N 1 0 317.408 4.435 20 30 DIEDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000852313067 1048835138 /nfs/dbraw/zinc/83/51/38/1048835138.db2.gz XPXDRCLGZSWDBT-VQTJNVASSA-N 1 0 320.436 4.046 20 30 DIEDRO CC[C@H](c1ccccc1)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328623 1048835718 /nfs/dbraw/zinc/83/57/18/1048835718.db2.gz JFNUTDAJGALXIE-UYAOXDASSA-N 1 0 305.425 4.090 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC001177142233 1048838452 /nfs/dbraw/zinc/83/84/52/1048838452.db2.gz ACGUGSVSZOLYGW-SFHVURJKSA-N 1 0 322.452 4.433 20 30 DIEDRO C=CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(CC)cc1 ZINC001177148940 1048839019 /nfs/dbraw/zinc/83/90/19/1048839019.db2.gz UVEORYSLUDWZJN-UHFFFAOYSA-N 1 0 317.436 4.377 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000852408849 1048839057 /nfs/dbraw/zinc/83/90/57/1048839057.db2.gz BQSYFBRSMYZLGQ-HNNXBMFYSA-N 1 0 318.486 4.248 20 30 DIEDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001191078714 1048842583 /nfs/dbraw/zinc/84/25/83/1048842583.db2.gz VFFICDLHDCOSMJ-IBGZPJMESA-N 1 0 308.400 4.213 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)C(C)(C)C ZINC000852554085 1048848889 /nfs/dbraw/zinc/84/88/89/1048848889.db2.gz BSXIZHBHHKBNTG-UHFFFAOYSA-N 1 0 306.475 4.247 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)C1 ZINC001177240769 1048850979 /nfs/dbraw/zinc/85/09/79/1048850979.db2.gz USBNMMDLBUWZGW-DOTOQJQBSA-N 1 0 324.424 4.366 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)C1 ZINC001177249931 1048854585 /nfs/dbraw/zinc/85/45/85/1048854585.db2.gz GYIJYJFVBPROHH-RDJZCZTQSA-N 1 0 300.446 4.237 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000852686420 1048854980 /nfs/dbraw/zinc/85/49/80/1048854980.db2.gz URXDJLUSGAVPRP-BHYGNILZSA-N 1 0 309.413 4.289 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCC(C)(C)C#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852730390 1048857948 /nfs/dbraw/zinc/85/79/48/1048857948.db2.gz FCPFZVZXZOWLFQ-DLBZAZTESA-N 1 0 322.880 4.318 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N(C)c1ccccc1 ZINC001177261786 1048861601 /nfs/dbraw/zinc/86/16/01/1048861601.db2.gz JZKHYZALNVIOAE-QGZVFWFLSA-N 1 0 321.468 4.102 20 30 DIEDRO C#Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)cc1 ZINC001177283339 1048866344 /nfs/dbraw/zinc/86/63/44/1048866344.db2.gz WZZIMQPHHIKHOH-UHFFFAOYSA-N 1 0 307.412 4.409 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)C1 ZINC001177312301 1048866881 /nfs/dbraw/zinc/86/68/81/1048866881.db2.gz LMWKACZGJFWTSI-PKOBYXMFSA-N 1 0 313.489 4.296 20 30 DIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483957882 1048886521 /nfs/dbraw/zinc/88/65/21/1048886521.db2.gz HAESCPZSRRCZQJ-HXUWFJFHSA-N 1 0 323.415 4.100 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2cccc(F)c2o1 ZINC000483989323 1048889683 /nfs/dbraw/zinc/88/96/83/1048889683.db2.gz UXTMUMXBMKSMBR-NSHDSACASA-N 1 0 312.319 4.433 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000853241863 1048890965 /nfs/dbraw/zinc/89/09/65/1048890965.db2.gz UIDMQWILVHCSJM-GFCCVEGCSA-N 1 0 314.351 4.218 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000853242760 1048894413 /nfs/dbraw/zinc/89/44/13/1048894413.db2.gz RYOFPFHMMBBZAU-KGLIPLIRSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001177446039 1048894553 /nfs/dbraw/zinc/89/45/53/1048894553.db2.gz AITRCOFDHYGIFU-HNNXBMFYSA-N 1 0 310.416 4.348 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2)cc1OC ZINC000484090956 1048900526 /nfs/dbraw/zinc/90/05/26/1048900526.db2.gz CXXJTTXMOIPOME-KRWDZBQOSA-N 1 0 323.436 4.186 20 30 DIEDRO C(=NOC1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000853334785 1048901133 /nfs/dbraw/zinc/90/11/33/1048901133.db2.gz BVCAICPPKVVPNH-UHFFFAOYSA-N 1 0 300.446 4.234 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)cc1C#N ZINC001191223466 1048903506 /nfs/dbraw/zinc/90/35/06/1048903506.db2.gz OIDICCHEDWUZCM-UTKZUKDTSA-N 1 0 304.437 4.492 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000853526723 1048907065 /nfs/dbraw/zinc/90/70/65/1048907065.db2.gz XPWDCRQBBOTRGJ-CQSZACIVSA-N 1 0 324.424 4.143 20 30 DIEDRO COc1ccc2c(Nc3cc(F)c(F)cc3C#N)cc[nH+]c2c1 ZINC001203528428 1048920651 /nfs/dbraw/zinc/92/06/51/1048920651.db2.gz OMFVEUVYWQSBHO-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO COCC#CC[N@H+](C1CC1)[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC001191341293 1048921359 /nfs/dbraw/zinc/92/13/59/1048921359.db2.gz MCFDSHQVAKESDP-UXHICEINSA-N 1 0 303.490 4.240 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC001177683335 1048927716 /nfs/dbraw/zinc/92/77/16/1048927716.db2.gz AXOQMHOCTAQRAA-FPOVZHCZSA-N 1 0 312.501 4.343 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl ZINC001203571489 1048933008 /nfs/dbraw/zinc/93/30/08/1048933008.db2.gz ISJLZDINJAEGGN-UHFFFAOYSA-N 1 0 320.868 4.012 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC001191367617 1048935262 /nfs/dbraw/zinc/93/52/62/1048935262.db2.gz RLMYHTBPLMRBPO-JKSUJKDBSA-N 1 0 306.862 4.072 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+]Cc2ccc(OCC#N)cc2)c(C)c1 ZINC001177764147 1048941762 /nfs/dbraw/zinc/94/17/62/1048941762.db2.gz CENYKNXOEUZWDL-SNAWJCMRSA-N 1 0 320.436 4.317 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC001177871447 1048949558 /nfs/dbraw/zinc/94/95/58/1048949558.db2.gz WESXJVIQGNWRQH-MRVPVSSYSA-N 1 0 306.606 4.296 20 30 DIEDRO N#Cc1c(F)cc(Nc2ccccc2C[NH+]2CCCC2)cc1F ZINC001203675294 1048959126 /nfs/dbraw/zinc/95/91/26/1048959126.db2.gz DZPMKCNKSQGYJU-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO N#Cc1ccc2c(c1)CCN(Cc1ccccc1C(F)(F)F)C2 ZINC001203686803 1048962371 /nfs/dbraw/zinc/96/23/71/1048962371.db2.gz JSLDNCSDKRQZJG-UHFFFAOYSA-N 1 0 316.326 4.135 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC2(CC)CCC2)ccc1OC ZINC001177962063 1048962431 /nfs/dbraw/zinc/96/24/31/1048962431.db2.gz NXNBCZSTIPUHBN-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776728389 1048963860 /nfs/dbraw/zinc/96/38/60/1048963860.db2.gz FPGHYCFXBUIZKC-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC2(SC)CCCCC2)cc1 ZINC001203698879 1048969176 /nfs/dbraw/zinc/96/91/76/1048969176.db2.gz ODSPBXCBQFFLEP-UHFFFAOYSA-N 1 0 317.498 4.244 20 30 DIEDRO C[C@@H](c1ccc2ccccc2c1)[N@H+](CCOCCC#N)C1CC1 ZINC000338964114 1048991184 /nfs/dbraw/zinc/99/11/84/1048991184.db2.gz VDCXRMWTNUPGGZ-INIZCTEOSA-N 1 0 308.425 4.295 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001203764498 1048993149 /nfs/dbraw/zinc/99/31/49/1048993149.db2.gz RDDWMOJLQNBFCG-IBGZPJMESA-N 1 0 308.400 4.152 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC001191742223 1048995417 /nfs/dbraw/zinc/99/54/17/1048995417.db2.gz MVRBEYCRBVONAJ-IAGOWNOFSA-N 1 0 320.864 4.237 20 30 DIEDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000484625775 1048998532 /nfs/dbraw/zinc/99/85/32/1048998532.db2.gz ZCLJCVVZZDWYPZ-HNNXBMFYSA-N 1 0 320.392 4.376 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)c1ccccc1 ZINC001178223420 1049005580 /nfs/dbraw/zinc/00/55/80/1049005580.db2.gz XUMHIBOYLCDIBN-MRXNPFEDSA-N 1 0 319.235 4.430 20 30 DIEDRO COc1ccc(Oc2cccc(C[NH+]3CCC(C#N)CC3)c2)cc1 ZINC001203812648 1049006696 /nfs/dbraw/zinc/00/66/96/1049006696.db2.gz AYMUPUKRJDBJJK-UHFFFAOYSA-N 1 0 322.408 4.223 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000776788698 1049012212 /nfs/dbraw/zinc/01/22/12/1049012212.db2.gz SJMNSFDUQRENRB-UHFFFAOYSA-N 1 0 319.452 4.097 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCC3(CC3)C2)ccc1OC ZINC001203831822 1049014511 /nfs/dbraw/zinc/01/45/11/1049014511.db2.gz ZBYSTUUGMBXQKK-QGZVFWFLSA-N 1 0 315.457 4.463 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)cc1 ZINC000776806840 1049026252 /nfs/dbraw/zinc/02/62/52/1049026252.db2.gz DNTQSXSNLSEBNK-CQSZACIVSA-N 1 0 322.433 4.159 20 30 DIEDRO N#Cc1ccc(C[N@H+](CCCCCCO)Cc2ccccc2)cc1 ZINC001203905925 1049028303 /nfs/dbraw/zinc/02/83/03/1049028303.db2.gz HNDWODDQHUMJTF-UHFFFAOYSA-N 1 0 322.452 4.113 20 30 DIEDRO CCCCCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001192012689 1049031113 /nfs/dbraw/zinc/03/11/13/1049031113.db2.gz IYJOQVHFAXIAES-SFHVURJKSA-N 1 0 305.462 4.344 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H](C)c2ccccc2)cc(OC)c1O ZINC001178445321 1049032920 /nfs/dbraw/zinc/03/29/20/1049032920.db2.gz UFXSAQVVYRIXED-HNNXBMFYSA-N 1 0 311.425 4.023 20 30 DIEDRO N#C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001203962176 1049046235 /nfs/dbraw/zinc/04/62/35/1049046235.db2.gz HOPDUWGVVCYXKZ-SFHVURJKSA-N 1 0 320.436 4.391 20 30 DIEDRO CCCCOc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001203972922 1049050026 /nfs/dbraw/zinc/05/00/26/1049050026.db2.gz LNPOFBPJBXKOST-UHFFFAOYSA-N 1 0 320.436 4.295 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC001178532624 1049051605 /nfs/dbraw/zinc/05/16/05/1049051605.db2.gz WBGWMBBWRHGQMJ-OALUTQOASA-N 1 0 319.489 4.285 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)C1 ZINC001178532792 1049053533 /nfs/dbraw/zinc/05/35/33/1049053533.db2.gz YBISEZZFDXJXIS-FUHIMQAGSA-N 1 0 317.473 4.496 20 30 DIEDRO CC1(C)CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC001178504663 1049056385 /nfs/dbraw/zinc/05/63/85/1049056385.db2.gz CRHCLGALEMNTAE-CQSZACIVSA-N 1 0 321.262 4.379 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC001178584736 1049057656 /nfs/dbraw/zinc/05/76/56/1049057656.db2.gz OHIJDOCFQGPUFI-MEDUHNTESA-N 1 0 322.861 4.021 20 30 DIEDRO CCCCCCCC[C@H](CO)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001204011515 1049061462 /nfs/dbraw/zinc/06/14/62/1049061462.db2.gz BPHKDSZXMDXPHV-RCCFBDPRSA-N 1 0 313.526 4.281 20 30 DIEDRO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CC[C@H](C)C1 ZINC000484860591 1049062831 /nfs/dbraw/zinc/06/28/31/1049062831.db2.gz IUCAJAXKULGSOR-FUHWJXTLSA-N 1 0 314.473 4.125 20 30 DIEDRO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CC[C@@H](C)C1 ZINC000484860090 1049062962 /nfs/dbraw/zinc/06/29/62/1049062962.db2.gz IUCAJAXKULGSOR-AEFFLSMTSA-N 1 0 314.473 4.125 20 30 DIEDRO Cc1ccsc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001204021100 1049063263 /nfs/dbraw/zinc/06/32/63/1049063263.db2.gz GMWWAITVUCOATA-UHFFFAOYSA-N 1 0 310.466 4.383 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](COCC)C(C)C)cc1Cl ZINC001178605352 1049064822 /nfs/dbraw/zinc/06/48/22/1049064822.db2.gz IKDMVDIKQZZWBO-INIZCTEOSA-N 1 0 311.853 4.056 20 30 DIEDRO C=CCCC[NH2+]Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC001178628722 1049068670 /nfs/dbraw/zinc/06/86/70/1049068670.db2.gz BOYHKSXTTWZMRT-UHFFFAOYSA-N 1 0 317.351 4.082 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)s1 ZINC001204034882 1049069829 /nfs/dbraw/zinc/06/98/29/1049069829.db2.gz UTIICKNIJDSHLP-UHFFFAOYSA-N 1 0 314.429 4.253 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1 ZINC001178700657 1049077949 /nfs/dbraw/zinc/07/79/49/1049077949.db2.gz WXCGSSLCRMBUPZ-ONEGZZNKSA-N 1 0 315.363 4.333 20 30 DIEDRO C=CCCC[C@H](C)[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000484912117 1049078984 /nfs/dbraw/zinc/07/89/84/1049078984.db2.gz RWSLBODTRLEYLO-ZFWWWQNUSA-N 1 0 322.474 4.202 20 30 DIEDRO C=CCC1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCCC1 ZINC001178709429 1049079861 /nfs/dbraw/zinc/07/98/61/1049079861.db2.gz FXTJWBXYIDLOQR-UHFFFAOYSA-N 1 0 301.459 4.364 20 30 DIEDRO Cc1ccc(F)c(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC001178730915 1049079904 /nfs/dbraw/zinc/07/99/04/1049079904.db2.gz KBJAJWPIWDYHGY-UHFFFAOYSA-N 1 0 308.400 4.022 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)ccc2C)c1 ZINC000113960878 1049080232 /nfs/dbraw/zinc/08/02/32/1049080232.db2.gz KVFOZNRWAOKQSW-IBGZPJMESA-N 1 0 308.425 4.274 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001178742062 1049081050 /nfs/dbraw/zinc/08/10/50/1049081050.db2.gz MUXHCOBPVIUBET-MOPGFXCFSA-N 1 0 313.372 4.051 20 30 DIEDRO N#Cc1c(F)cccc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204109513 1049085248 /nfs/dbraw/zinc/08/52/48/1049085248.db2.gz PHGWKQNRABFKCV-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CCC=C(C)C)cc1OC ZINC001178759020 1049085804 /nfs/dbraw/zinc/08/58/04/1049085804.db2.gz RBJWPBOQJUQPTQ-MRXNPFEDSA-N 1 0 303.446 4.485 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(Cl)ccc1O ZINC000775526544 1049095454 /nfs/dbraw/zinc/09/54/54/1049095454.db2.gz LNZXTCFBXLNOMY-INIZCTEOSA-N 1 0 318.779 4.297 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001178827510 1049096634 /nfs/dbraw/zinc/09/66/34/1049096634.db2.gz PBFYKHIGSNLUJU-IBGZPJMESA-N 1 0 309.384 4.005 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000856732343 1049101404 /nfs/dbraw/zinc/10/14/04/1049101404.db2.gz NLGFSJGJUTVGDO-OALUTQOASA-N 1 0 314.473 4.198 20 30 DIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904574267 1049104405 /nfs/dbraw/zinc/10/44/05/1049104405.db2.gz FKNFNJPVRCXWHL-UHFFFAOYSA-N 1 0 323.440 4.101 20 30 DIEDRO C=CCC1(c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CCCC1 ZINC000904622590 1049108558 /nfs/dbraw/zinc/10/85/58/1049108558.db2.gz JZTGJDSKKQKSRD-UHFFFAOYSA-N 1 0 311.429 4.186 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(C)C ZINC001178917288 1049110182 /nfs/dbraw/zinc/11/01/82/1049110182.db2.gz XNGZGCJWZAZIFN-FPOVZHCZSA-N 1 0 319.448 4.228 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC#Cc2ccc(F)cc2)c1 ZINC001192500165 1049111291 /nfs/dbraw/zinc/11/12/91/1049111291.db2.gz HKBGDXULYPOCNN-IERDGZPVSA-N 1 0 323.411 4.269 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccsc3)s2)s1 ZINC001178978405 1049111309 /nfs/dbraw/zinc/11/13/09/1049111309.db2.gz XCDWGNNHPLXHSY-UHFFFAOYSA-N 1 0 317.464 4.095 20 30 DIEDRO Cc1cccc(CCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC001192491042 1049111686 /nfs/dbraw/zinc/11/16/86/1049111686.db2.gz YYTGQSIIMPNPRT-UHFFFAOYSA-N 1 0 304.437 4.464 20 30 DIEDRO C=CCCCC[N@@H+]1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC001192513862 1049112448 /nfs/dbraw/zinc/11/24/48/1049112448.db2.gz AKMFDBDFRFNPNH-FQEVSTJZSA-N 1 0 300.490 4.329 20 30 DIEDRO C#CCC[N@H+]1CCN(c2cccc(C(F)(F)F)c2)C[C@H]1CCC ZINC001192536964 1049116579 /nfs/dbraw/zinc/11/65/79/1049116579.db2.gz OSOKNKHXWBNQQP-QGZVFWFLSA-N 1 0 324.390 4.019 20 30 DIEDRO CN(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c2ccccc21 ZINC001204240059 1049117599 /nfs/dbraw/zinc/11/75/99/1049117599.db2.gz GZWDMRTYULHIPH-XGWQRUHWSA-N 1 0 319.452 4.172 20 30 DIEDRO C#Cc1ccc(C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)cc1 ZINC001178987142 1049119523 /nfs/dbraw/zinc/11/95/23/1049119523.db2.gz ZPYSOFWQESLCQK-UHFFFAOYSA-N 1 0 313.828 4.355 20 30 DIEDRO Fc1ccc(C#CC[NH2+][C@H](c2ccc(F)cc2F)C2CC2)cc1 ZINC001192616105 1049120063 /nfs/dbraw/zinc/12/00/63/1049120063.db2.gz JNPJQJLOQAYYSQ-IBGZPJMESA-N 1 0 315.338 4.196 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857081628 1049125894 /nfs/dbraw/zinc/12/58/94/1049125894.db2.gz HGBAZQDBWHARKH-ZFWWWQNUSA-N 1 0 309.240 4.109 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000857136666 1049130618 /nfs/dbraw/zinc/13/06/18/1049130618.db2.gz OXCFDOVBXOCQFB-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CC=C)cc1OC ZINC001179143098 1049131822 /nfs/dbraw/zinc/13/18/22/1049131822.db2.gz RMOHXLYUOIRSNS-ZWKOTPCHSA-N 1 0 315.457 4.485 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC001192663961 1049132841 /nfs/dbraw/zinc/13/28/41/1049132841.db2.gz YFYZYXNZIHPKCD-AWEZNQCLSA-N 1 0 304.409 4.349 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)cc1 ZINC001204299872 1049135152 /nfs/dbraw/zinc/13/51/52/1049135152.db2.gz CPPXJQFSCFSAAR-FQEVSTJZSA-N 1 0 323.436 4.043 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)ccc1C#N ZINC001204306112 1049135917 /nfs/dbraw/zinc/13/59/17/1049135917.db2.gz GFEFZOAYZUHNEW-IFXJQAMLSA-N 1 0 324.399 4.289 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001192870498 1049141497 /nfs/dbraw/zinc/14/14/97/1049141497.db2.gz VFHHYIGSLQHFQP-JKSUJKDBSA-N 1 0 312.498 4.192 20 30 DIEDRO C#CC1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC001204335692 1049144961 /nfs/dbraw/zinc/14/49/61/1049144961.db2.gz NBRCJMSKBRKVDS-UHFFFAOYSA-N 1 0 305.421 4.111 20 30 DIEDRO N#C[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)CC1 ZINC001204331577 1049144967 /nfs/dbraw/zinc/14/49/67/1049144967.db2.gz JNGVUSUJCTYFJT-SFHVURJKSA-N 1 0 320.436 4.391 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1nc(Cl)ccc1Br ZINC001179237961 1049146311 /nfs/dbraw/zinc/14/63/11/1049146311.db2.gz DHOVCZZSBNMYLY-UHFFFAOYSA-N 1 0 317.658 4.189 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](CCC)c1cccc(C(F)(F)F)c1 ZINC001192911165 1049148920 /nfs/dbraw/zinc/14/89/20/1049148920.db2.gz ZXCGIFKWQJXFFT-HOTGVXAUSA-N 1 0 315.379 4.463 20 30 DIEDRO N#CCCN(Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC001204416949 1049160459 /nfs/dbraw/zinc/16/04/59/1049160459.db2.gz QITCNKWXPDWFIA-UHFFFAOYSA-N 1 0 312.335 4.243 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1C ZINC001204441213 1049161637 /nfs/dbraw/zinc/16/16/37/1049161637.db2.gz FXYWVZFOINLNTC-UHFFFAOYSA-N 1 0 311.425 4.200 20 30 DIEDRO COc1ccc(C[NH2+]C/C=C/c2c(C)cc(C)cc2C)cc1C#N ZINC001179447754 1049165400 /nfs/dbraw/zinc/16/54/00/1049165400.db2.gz QJUDVJDPDSXPRO-AATRIKPKSA-N 1 0 320.436 4.295 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC001193012709 1049166524 /nfs/dbraw/zinc/16/65/24/1049166524.db2.gz UGXYDYKZYHQRIL-GOSISDBHSA-N 1 0 309.457 4.084 20 30 DIEDRO Cc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)ccc1C#N ZINC001204480663 1049172760 /nfs/dbraw/zinc/17/27/60/1049172760.db2.gz VTBUCSKFGRWUGH-KXBFYZLASA-N 1 0 308.400 4.384 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC001179516196 1049173116 /nfs/dbraw/zinc/17/31/16/1049173116.db2.gz SFAUOGLMOZYGIF-UHFFFAOYSA-N 1 0 311.853 4.439 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC001179507148 1049175586 /nfs/dbraw/zinc/17/55/86/1049175586.db2.gz QQLGYEUWXVLRLS-AULYBMBSSA-N 1 0 313.775 4.223 20 30 DIEDRO Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001204513635 1049178246 /nfs/dbraw/zinc/17/82/46/1049178246.db2.gz IXOQPVHZVCOTSX-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC001179541191 1049178913 /nfs/dbraw/zinc/17/89/13/1049178913.db2.gz GTDLCEXRWYZXDZ-UHFFFAOYSA-N 1 0 302.437 4.262 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCc2ccccc2C1 ZINC001204516907 1049180511 /nfs/dbraw/zinc/18/05/11/1049180511.db2.gz YCSWGIBEPBPALQ-FQEVSTJZSA-N 1 0 322.427 4.467 20 30 DIEDRO C#CCOCC[NH2+][C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001193176815 1049181186 /nfs/dbraw/zinc/18/11/86/1049181186.db2.gz IZIBFLSNUXCTOP-CYBMUJFWSA-N 1 0 319.857 4.369 20 30 DIEDRO CCCN(CC[NH+](CC)CC)Cc1ccccc1C(C)(C)C#N ZINC001193198048 1049186792 /nfs/dbraw/zinc/18/67/92/1049186792.db2.gz FMBSBQWBMYLSTO-UHFFFAOYSA-N 1 0 315.505 4.042 20 30 DIEDRO COc1cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)ccc1F ZINC001204561761 1049190326 /nfs/dbraw/zinc/19/03/26/1049190326.db2.gz SNOJUIYPCZYIKI-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)c(F)c1 ZINC001179670438 1049195874 /nfs/dbraw/zinc/19/58/74/1049195874.db2.gz QYJQYOUJDPMAJN-CTYIDZIISA-N 1 0 316.326 4.011 20 30 DIEDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1C ZINC000115630232 1049198982 /nfs/dbraw/zinc/19/89/82/1049198982.db2.gz GHOZWWHYKQLIGL-NVXWUHKLSA-N 1 0 308.425 4.445 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1OC ZINC001179767763 1049199978 /nfs/dbraw/zinc/19/99/78/1049199978.db2.gz FGHXARLOUGBESC-IIAWOOMASA-N 1 0 321.848 4.192 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC001179728995 1049200070 /nfs/dbraw/zinc/20/00/70/1049200070.db2.gz IZFHPTOLTYXINL-IEBWSBKVSA-N 1 0 308.400 4.056 20 30 DIEDRO C#CC(C)(C)[N@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC001193363237 1049203593 /nfs/dbraw/zinc/20/35/93/1049203593.db2.gz CFCNCZBCFLPTLF-UHFFFAOYSA-N 1 0 313.363 4.208 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH+]2[C@H](C)CC[C@H]2C)cc1OC ZINC001204625003 1049205166 /nfs/dbraw/zinc/20/51/66/1049205166.db2.gz IZSJGGAATQIMGA-CHWSQXEVSA-N 1 0 309.837 4.286 20 30 DIEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001193401322 1049208232 /nfs/dbraw/zinc/20/82/32/1049208232.db2.gz IZWGMZJFBINVHK-GDBMZVCRSA-N 1 0 311.347 4.105 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857916407 1049210959 /nfs/dbraw/zinc/21/09/59/1049210959.db2.gz PVILHUMGEWVHNU-IAGOWNOFSA-N 1 0 323.827 4.261 20 30 DIEDRO CC[C@]1(C)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001193473916 1049212954 /nfs/dbraw/zinc/21/29/54/1049212954.db2.gz RQSNGOFGKYDKNS-OAQYLSRUSA-N 1 0 320.436 4.226 20 30 DIEDRO Fc1ccc(C#CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001193495757 1049215203 /nfs/dbraw/zinc/21/52/03/1049215203.db2.gz CKUVBJPKJNBSSE-PZJWPPBQSA-N 1 0 307.412 4.178 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(Cl)cc3O)CC2)cc1 ZINC001204664681 1049215918 /nfs/dbraw/zinc/21/59/18/1049215918.db2.gz JRBJMLSPPXKVDU-UHFFFAOYSA-N 1 0 324.811 4.207 20 30 DIEDRO Cc1cc(C)c2c(c1)C[N@@H+](CCCOc1ccc(C#N)cc1)CC2 ZINC001193526115 1049223064 /nfs/dbraw/zinc/22/30/64/1049223064.db2.gz IKBQCIQIGDALLS-UHFFFAOYSA-N 1 0 320.436 4.002 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000777007067 1049226228 /nfs/dbraw/zinc/22/62/28/1049226228.db2.gz MSWLJGJSRSYQRV-AWEZNQCLSA-N 1 0 310.372 4.068 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(C#N)c(F)c2F)cc1 ZINC001204699714 1049231588 /nfs/dbraw/zinc/23/15/88/1049231588.db2.gz HNZREFSAGQZDFI-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO COc1cc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)ccc1C#N ZINC001204700790 1049232225 /nfs/dbraw/zinc/23/22/25/1049232225.db2.gz ZWPFEXHPLDIXAL-UHFFFAOYSA-N 1 0 309.413 4.199 20 30 DIEDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000858270837 1049233708 /nfs/dbraw/zinc/23/37/08/1049233708.db2.gz NVUVPBQSMDDCTB-UHFFFAOYSA-N 1 0 323.431 4.198 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001179951503 1049236304 /nfs/dbraw/zinc/23/63/04/1049236304.db2.gz KENKUIJNSOQPIB-YZGWKJHDSA-N 1 0 314.473 4.295 20 30 DIEDRO C=C(C)c1ccccc1Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001204751616 1049253028 /nfs/dbraw/zinc/25/30/28/1049253028.db2.gz XPTBUFOWNQYMEF-UHFFFAOYSA-N 1 0 321.468 4.211 20 30 DIEDRO CC[N@H+](Cc1ccnn1CC1CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC001204763024 1049256962 /nfs/dbraw/zinc/25/69/62/1049256962.db2.gz HWQBOAGAXWKJBD-INIZCTEOSA-N 1 0 322.456 4.138 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccnn1-c1ccccc1OC ZINC001204769767 1049259139 /nfs/dbraw/zinc/25/91/39/1049259139.db2.gz VMAXZLSXMXWWJG-UHFFFAOYSA-N 1 0 313.445 4.059 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000158829658 1049265179 /nfs/dbraw/zinc/26/51/79/1049265179.db2.gz DASPKWBDNAQZAM-OAHLLOKOSA-N 1 0 302.399 4.453 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)C1 ZINC001203187661 1049269821 /nfs/dbraw/zinc/26/98/21/1049269821.db2.gz MIWJHBFMIKOZGN-KBAYOESNSA-N 1 0 307.441 4.194 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2cccc(C(=O)OC)c2)CCCC1(C)C ZINC001193921105 1049282966 /nfs/dbraw/zinc/28/29/66/1049282966.db2.gz UAHOJDUMWSWDKD-QGZVFWFLSA-N 1 0 301.430 4.040 20 30 DIEDRO C=CC[C@@H]1[N@H+](CC(=O)N(C(C)C)C2CCCC2)CCCC1(C)C ZINC001193921009 1049283560 /nfs/dbraw/zinc/28/35/60/1049283560.db2.gz SZRLGVIYCUZQAL-SFHVURJKSA-N 1 0 320.521 4.233 20 30 DIEDRO C=CC[C@H]1[N@H+](CCOc2ccccc2OC)CCCC1(C)C ZINC001193921119 1049284429 /nfs/dbraw/zinc/28/44/29/1049284429.db2.gz UOEUFROFMOIUDQ-GOSISDBHSA-N 1 0 303.446 4.141 20 30 DIEDRO C#CCCCCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001180103472 1049286222 /nfs/dbraw/zinc/28/62/22/1049286222.db2.gz PXHMWKACGSBCMM-UHFFFAOYSA-N 1 0 304.865 4.046 20 30 DIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001180148232 1049299475 /nfs/dbraw/zinc/29/94/75/1049299475.db2.gz OLEDILUKVOFFSO-IBGZPJMESA-N 1 0 313.489 4.415 20 30 DIEDRO C#Cc1ccc(C[N@H+](Cc2cccc(OC)c2)CC(C)C)cc1 ZINC001180154310 1049299936 /nfs/dbraw/zinc/29/99/36/1049299936.db2.gz QAUDYXZAJLDTOS-UHFFFAOYSA-N 1 0 307.437 4.335 20 30 DIEDRO CCCCCCCOC(=O)NC1CC[NH+](CC(C)(C)C)CC1 ZINC001194019665 1049300839 /nfs/dbraw/zinc/30/08/39/1049300839.db2.gz QMSWEEMEXHBFDR-UHFFFAOYSA-N 1 0 312.498 4.194 20 30 DIEDRO CCCCCCCOC(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC001193993378 1049304460 /nfs/dbraw/zinc/30/44/60/1049304460.db2.gz ARBOKNXKFDGDRL-UHFFFAOYSA-N 1 0 305.422 4.201 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CCn1c2ccccc2c2ccccc21 ZINC001204936848 1049315723 /nfs/dbraw/zinc/31/57/23/1049315723.db2.gz BFTNRLHPWSUWGC-MRXNPFEDSA-N 1 0 305.425 4.324 20 30 DIEDRO C=C[C@@](C)(O)C[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001252541614 1049319652 /nfs/dbraw/zinc/31/96/52/1049319652.db2.gz PKEPVOKHYSLXSR-MRXNPFEDSA-N 1 0 314.256 4.110 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@@H](C)[C@@H]1OC ZINC001194090206 1049325250 /nfs/dbraw/zinc/32/52/50/1049325250.db2.gz DTRQFKPPMBHGAP-LZQZEXGQSA-N 1 0 314.473 4.104 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC001194154428 1049328476 /nfs/dbraw/zinc/32/84/76/1049328476.db2.gz WBTPVULBCMNENJ-OXQOHEQNSA-N 1 0 306.409 4.020 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)o1 ZINC000485731097 1049328947 /nfs/dbraw/zinc/32/89/47/1049328947.db2.gz TXSXUJSTIGGHDU-VAMGGRTRSA-N 1 0 306.409 4.309 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC001194154427 1049330083 /nfs/dbraw/zinc/33/00/83/1049330083.db2.gz WBTPVULBCMNENJ-OXJNMPFZSA-N 1 0 306.409 4.020 20 30 DIEDRO CCCCCCCC[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC001194142003 1049338424 /nfs/dbraw/zinc/33/84/24/1049338424.db2.gz IHRCXPQYKRUJDD-FQEVSTJZSA-N 1 0 302.506 4.206 20 30 DIEDRO C#CC[N@H+](Cc1cc2ccncc2s1)[C@@H]1CCc2ccccc21 ZINC001180296734 1049339869 /nfs/dbraw/zinc/33/98/69/1049339869.db2.gz KZDRGQNPRVLOLT-LJQANCHMSA-N 1 0 318.445 4.419 20 30 DIEDRO C=CCC1([NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CCOCC1 ZINC000668551829 1049342130 /nfs/dbraw/zinc/34/21/30/1049342130.db2.gz XXMWEABQSPFGAZ-QZTJIDSGSA-N 1 0 314.473 4.131 20 30 DIEDRO C#CCCCCCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC001194306947 1049357404 /nfs/dbraw/zinc/35/74/04/1049357404.db2.gz OLHGIULWDIVGTO-UHFFFAOYSA-N 1 0 320.274 4.391 20 30 DIEDRO C#CCC[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001194376702 1049362151 /nfs/dbraw/zinc/36/21/51/1049362151.db2.gz LKBLFGADLSJCGU-QGZVFWFLSA-N 1 0 306.434 4.193 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860136867 1049370071 /nfs/dbraw/zinc/37/00/71/1049370071.db2.gz BMEVXXJKZJRMAQ-UZLBHIALSA-N 1 0 317.473 4.185 20 30 DIEDRO CCCCCCCOc1ccc(-c2noc([C@@H](C)C[NH3+])n2)cc1 ZINC001205099435 1049376114 /nfs/dbraw/zinc/37/61/14/1049376114.db2.gz ULAORWUPIYUEEX-AWEZNQCLSA-N 1 0 317.433 4.148 20 30 DIEDRO COc1ccc(C[N@H+](CC#Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC001180573965 1049377649 /nfs/dbraw/zinc/37/76/49/1049377649.db2.gz HCPOSWHAFGZPBV-GOSISDBHSA-N 1 0 319.448 4.347 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)Cc2ccccc2)cc1 ZINC000117392255 1049381233 /nfs/dbraw/zinc/38/12/33/1049381233.db2.gz WQOCSMYYVQPXMP-KRWDZBQOSA-N 1 0 322.452 4.336 20 30 DIEDRO Cc1cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)ccc1F ZINC001205186798 1049405144 /nfs/dbraw/zinc/40/51/44/1049405144.db2.gz BWUXBIHJEMSIHF-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC001194676512 1049411142 /nfs/dbraw/zinc/41/11/42/1049411142.db2.gz YGOXGSHICALGIN-HNNXBMFYSA-N 1 0 308.263 4.422 20 30 DIEDRO N#CC1(CC[N@@H+]2CCC[C@H]2COc2ccccc2)CCCCC1 ZINC001194682627 1049411284 /nfs/dbraw/zinc/41/12/84/1049411284.db2.gz DITRGROWHWNLPU-SFHVURJKSA-N 1 0 312.457 4.394 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC001205225558 1049412431 /nfs/dbraw/zinc/41/24/31/1049412431.db2.gz ZAPJDCYDCRYADS-IBGZPJMESA-N 1 0 315.457 4.424 20 30 DIEDRO CCCCCCCCOC(=O)N1CCC([N@H+](C)C2CC2)CC1 ZINC001194743569 1049415920 /nfs/dbraw/zinc/41/59/20/1049415920.db2.gz JPHRURZSKXRKBC-UHFFFAOYSA-N 1 0 310.482 4.042 20 30 DIEDRO CCCCCCCCOC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001194756420 1049424428 /nfs/dbraw/zinc/42/44/28/1049424428.db2.gz IMPQIJZUEOEBFB-UHFFFAOYSA-N 1 0 312.498 4.194 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC001181042535 1049429248 /nfs/dbraw/zinc/42/92/48/1049429248.db2.gz HCNKLAVZFGGKQY-GFCCVEGCSA-N 1 0 314.242 4.465 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000775613858 1049431160 /nfs/dbraw/zinc/43/11/60/1049431160.db2.gz VNURBQKXKUUWPX-KRWDZBQOSA-N 1 0 301.455 4.250 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000775612653 1049436713 /nfs/dbraw/zinc/43/67/13/1049436713.db2.gz GWNZUSFWOHGINE-FQEVSTJZSA-N 1 0 304.437 4.305 20 30 DIEDRO C[C@H]1CC[C@H](Nc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC001205320606 1049438033 /nfs/dbraw/zinc/43/80/33/1049438033.db2.gz KMPUNIHQKMVONJ-UWJYYQICSA-N 1 0 319.452 4.218 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001181133476 1049444656 /nfs/dbraw/zinc/44/46/56/1049444656.db2.gz TWTRREDRXYAWJK-HNNXBMFYSA-N 1 0 308.441 4.114 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1(C)C ZINC001181162094 1049446727 /nfs/dbraw/zinc/44/67/27/1049446727.db2.gz AFRNIIUMFDXTQN-IAGOWNOFSA-N 1 0 320.864 4.285 20 30 DIEDRO CC[N@@H+](Cc1ccccc1Br)C[C@H](C)CCC#N ZINC001181162252 1049448286 /nfs/dbraw/zinc/44/82/86/1049448286.db2.gz FTDCEWBSFSMRFX-CYBMUJFWSA-N 1 0 309.251 4.211 20 30 DIEDRO CCCC[N@H+](Cc1csc(C#N)c1)Cc1ccccc1O ZINC001181183904 1049449353 /nfs/dbraw/zinc/44/93/53/1049449353.db2.gz ANJREIGSHLUNLO-UHFFFAOYSA-N 1 0 300.427 4.128 20 30 DIEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C#N)cc1Br ZINC001194953556 1049454409 /nfs/dbraw/zinc/45/44/09/1049454409.db2.gz PBPFZIIYJQVPIA-BLLLJJGKSA-N 1 0 321.262 4.379 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000486690173 1049454785 /nfs/dbraw/zinc/45/47/85/1049454785.db2.gz LCUDCPYOOUHCOI-MRXNPFEDSA-N 1 0 303.409 4.321 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC001181267594 1049458215 /nfs/dbraw/zinc/45/82/15/1049458215.db2.gz RTCPDCXEPBFBBN-CQSZACIVSA-N 1 0 313.397 4.178 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC001181267593 1049458270 /nfs/dbraw/zinc/45/82/70/1049458270.db2.gz RTCPDCXEPBFBBN-AWEZNQCLSA-N 1 0 313.397 4.178 20 30 DIEDRO COC1(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCC1 ZINC001205391366 1049458944 /nfs/dbraw/zinc/45/89/44/1049458944.db2.gz MMRBDEVXJJKVJI-INIZCTEOSA-N 1 0 320.436 4.445 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001181287090 1049459376 /nfs/dbraw/zinc/45/93/76/1049459376.db2.gz YVRIMRBPQXCYKV-IRXDYDNUSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001194994506 1049459414 /nfs/dbraw/zinc/45/94/14/1049459414.db2.gz XJYXSXADTNCDRB-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001181287091 1049460153 /nfs/dbraw/zinc/46/01/53/1049460153.db2.gz YVRIMRBPQXCYKV-SJORKVTESA-N 1 0 324.509 4.404 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2cnn(CC3CCC3)c2)CCCC1(C)C ZINC001181296999 1049461502 /nfs/dbraw/zinc/46/15/02/1049461502.db2.gz IPZRQUPJWFNEBW-GOSISDBHSA-N 1 0 301.478 4.250 20 30 DIEDRO CCC1(CC)CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000777220793 1049462669 /nfs/dbraw/zinc/46/26/69/1049462669.db2.gz UVHORSRUWHQQSX-INIZCTEOSA-N 1 0 300.446 4.380 20 30 DIEDRO N#C[C@@]1(F)CCN(CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001205414201 1049463535 /nfs/dbraw/zinc/46/35/35/1049463535.db2.gz AAWFXUBYPNCVIC-NRFANRHFSA-N 1 0 322.427 4.026 20 30 DIEDRO C=CCCCCC[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000486791741 1049472362 /nfs/dbraw/zinc/47/23/62/1049472362.db2.gz PQPGDWPGEDQRCB-UHFFFAOYSA-N 1 0 315.457 4.336 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)ccc1C#N ZINC000486795577 1049474788 /nfs/dbraw/zinc/47/47/88/1049474788.db2.gz QIIXUDFDQHTLPK-ZDUSSCGKSA-N 1 0 300.352 4.338 20 30 DIEDRO C=CCCCCC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000486812358 1049476829 /nfs/dbraw/zinc/47/68/29/1049476829.db2.gz PGALXOBXTVLNNX-UHFFFAOYSA-N 1 0 313.445 4.125 20 30 DIEDRO CCCCC[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000486803840 1049478147 /nfs/dbraw/zinc/47/81/47/1049478147.db2.gz XEKWWZSJQYAEAM-KRWDZBQOSA-N 1 0 324.428 4.153 20 30 DIEDRO Cc1c(F)nccc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000862224645 1049478418 /nfs/dbraw/zinc/47/84/18/1049478418.db2.gz UHGVOQCYFBWSND-UHFFFAOYSA-N 1 0 311.404 4.059 20 30 DIEDRO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC001181435207 1049481990 /nfs/dbraw/zinc/48/19/90/1049481990.db2.gz AOFRLEQWJTWXBT-IIBYNOLFSA-N 1 0 304.437 4.465 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001181435266 1049482506 /nfs/dbraw/zinc/48/25/06/1049482506.db2.gz BERJLWQGLYGSIC-LMNJBCLMSA-N 1 0 324.468 4.121 20 30 DIEDRO CC1(C)[C@H]([NH2+]C2CCC(C#N)CC2)C[C@H]1OCc1ccccc1 ZINC001205488946 1049484340 /nfs/dbraw/zinc/48/43/40/1049484340.db2.gz FSERKPIXYQOTFG-JDGDGYACSA-N 1 0 312.457 4.042 20 30 DIEDRO C=C[C@H](COC)[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC001205489678 1049484375 /nfs/dbraw/zinc/48/43/75/1049484375.db2.gz WVVDZASWBINDFP-CYBMUJFWSA-N 1 0 302.245 4.107 20 30 DIEDRO C=C[C@@H](COC)[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC001205489679 1049484937 /nfs/dbraw/zinc/48/49/37/1049484937.db2.gz WVVDZASWBINDFP-ZDUSSCGKSA-N 1 0 302.245 4.107 20 30 DIEDRO N#Cc1cc(C[N@H+](Cc2ccccn2)C2CCCCC2)ccc1F ZINC001205493839 1049485998 /nfs/dbraw/zinc/48/59/98/1049485998.db2.gz VHMKUPZWUDAKDT-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC001205514505 1049489150 /nfs/dbraw/zinc/48/91/50/1049489150.db2.gz UAHBFFKLHJQLMT-KOMQPUFPSA-N 1 0 314.791 4.387 20 30 DIEDRO C#C[C@H](CC)[NH2+]Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001181577420 1049492081 /nfs/dbraw/zinc/49/20/81/1049492081.db2.gz SSWLVYVKBPOCKL-MRXNPFEDSA-N 1 0 319.326 4.398 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)C(C)C ZINC001181578292 1049492110 /nfs/dbraw/zinc/49/21/10/1049492110.db2.gz ZETMORNXMPHGEX-HNNXBMFYSA-N 1 0 304.846 4.211 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)Cc1ccc(Cl)cc1 ZINC001205576450 1049503471 /nfs/dbraw/zinc/50/34/71/1049503471.db2.gz XPRJFSNBCUIGPY-SZMVWBNQSA-N 1 0 307.865 4.232 20 30 DIEDRO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001195279003 1049507173 /nfs/dbraw/zinc/50/71/73/1049507173.db2.gz MCVBPBOZKZODEX-RDJZCZTQSA-N 1 0 315.417 4.113 20 30 DIEDRO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001195279002 1049507887 /nfs/dbraw/zinc/50/78/87/1049507887.db2.gz MCVBPBOZKZODEX-NVXWUHKLSA-N 1 0 315.417 4.113 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1cccnc1)c1ccc(Cl)cc1F ZINC001181697775 1049511300 /nfs/dbraw/zinc/51/13/00/1049511300.db2.gz NLPZNNKRUVBIDP-SCLBCKFNSA-N 1 0 316.807 4.159 20 30 DIEDRO COc1cc2ccccc2cc1C[NH+]1CCC(CCC#N)CC1 ZINC000569694581 1049514509 /nfs/dbraw/zinc/51/45/09/1049514509.db2.gz BEDKSILNWNYIDR-UHFFFAOYSA-N 1 0 308.425 4.364 20 30 DIEDRO C=CCCC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC001205639980 1049518052 /nfs/dbraw/zinc/51/80/52/1049518052.db2.gz RNKNKFXSCSUEQG-LLVKDONJSA-N 1 0 300.215 4.075 20 30 DIEDRO Cc1ccc(F)c(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001205647236 1049521007 /nfs/dbraw/zinc/52/10/07/1049521007.db2.gz HYSQNNKIKFDTIH-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000775655996 1049527400 /nfs/dbraw/zinc/52/74/00/1049527400.db2.gz YPDXOEQJYRSQBL-HXUWFJFHSA-N 1 0 302.421 4.342 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)cc1 ZINC001181879807 1049537462 /nfs/dbraw/zinc/53/74/62/1049537462.db2.gz JKKCVNKADXYIMS-UXHICEINSA-N 1 0 304.437 4.187 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(CCC)c1 ZINC001205752001 1049552259 /nfs/dbraw/zinc/55/22/59/1049552259.db2.gz GFEGMTNGTWNKPI-UHFFFAOYSA-N 1 0 313.441 4.303 20 30 DIEDRO CCCN(C)[C@@H](C[NH2+]C[C@H](C)CCC#N)c1ccc(Cl)cc1 ZINC001205758671 1049555938 /nfs/dbraw/zinc/55/59/38/1049555938.db2.gz TTYTVKKJYXSVHC-QAPCUYQASA-N 1 0 321.896 4.252 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001195658906 1049556260 /nfs/dbraw/zinc/55/62/60/1049556260.db2.gz GOJNAFVCKOLTDM-UHFFFAOYSA-N 1 0 324.509 4.290 20 30 DIEDRO CCCN(C)[C@@H](C[NH2+]C[C@@H](C)CCC#N)c1ccc(Cl)cc1 ZINC001205758672 1049556763 /nfs/dbraw/zinc/55/67/63/1049556763.db2.gz TTYTVKKJYXSVHC-YJBOKZPZSA-N 1 0 321.896 4.252 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CCCc1ccc(C)cc1C ZINC001203369172 1049560599 /nfs/dbraw/zinc/56/05/99/1049560599.db2.gz MYCJZKDAONNBHI-UHFFFAOYSA-N 1 0 307.437 4.038 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cccc2c(OC)cccc12)c1ccc(F)cc1 ZINC001182021542 1049564357 /nfs/dbraw/zinc/56/43/57/1049564357.db2.gz XGCRAZHJORPYOC-HXUWFJFHSA-N 1 0 319.379 4.452 20 30 DIEDRO C=CCCn1cc(C[N@@H+](CCCC)[C@H]2CCC[C@@H](C)C2)nn1 ZINC001182072523 1049570871 /nfs/dbraw/zinc/57/08/71/1049570871.db2.gz PYXHIDKDIVHFBE-AEFFLSMTSA-N 1 0 304.482 4.035 20 30 DIEDRO C=CC1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000487915309 1049583132 /nfs/dbraw/zinc/58/31/32/1049583132.db2.gz RESITOWPXTXVNF-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO C#CCCCCCCCCC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC001182186256 1049584206 /nfs/dbraw/zinc/58/42/06/1049584206.db2.gz CVYFHXSDBCOARL-UHFFFAOYSA-N 1 0 300.446 4.099 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001196023087 1049604006 /nfs/dbraw/zinc/60/40/06/1049604006.db2.gz QQCFLDLZXYKTID-AEFFLSMTSA-N 1 0 307.865 4.064 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C)cc1Cl ZINC001196055767 1049605809 /nfs/dbraw/zinc/60/58/09/1049605809.db2.gz HTFQXVRWVRRBLI-GDBMZVCRSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)cc1Cl ZINC001196055769 1049606449 /nfs/dbraw/zinc/60/64/49/1049606449.db2.gz HTFQXVRWVRRBLI-HOCLYGCPSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001196058177 1049608166 /nfs/dbraw/zinc/60/81/66/1049608166.db2.gz YBTXUUCBKOAPGI-UONOGXRCSA-N 1 0 309.356 4.233 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1coc2ccccc12)c1ccc(F)cc1 ZINC001205974822 1049616484 /nfs/dbraw/zinc/61/64/84/1049616484.db2.gz SZPAFZJFGHWKAL-LIRRHRJNSA-N 1 0 307.368 4.467 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCC12CCC2)c1ccc(Br)cc1 ZINC001205987943 1049618600 /nfs/dbraw/zinc/61/86/00/1049618600.db2.gz BCFRIBYTCZLDRH-LSDHHAIUSA-N 1 0 304.231 4.046 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000488251474 1049618581 /nfs/dbraw/zinc/61/85/81/1049618581.db2.gz QYHXBMNNBHXYAW-AWEZNQCLSA-N 1 0 315.417 4.142 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000488259653 1049618790 /nfs/dbraw/zinc/61/87/90/1049618790.db2.gz FPQGAYZXSQFVAZ-AWEZNQCLSA-N 1 0 315.383 4.285 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1cccc(OCC)c1O ZINC000119935432 1049646007 /nfs/dbraw/zinc/64/60/07/1049646007.db2.gz KZTZLQWHRMKZGO-UHFFFAOYSA-N 1 0 303.427 4.041 20 30 DIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CCCC(C)(C)C1 ZINC001206069306 1049646777 /nfs/dbraw/zinc/64/67/77/1049646777.db2.gz DZEVWICJZHOPJN-IBGZPJMESA-N 1 0 314.473 4.223 20 30 DIEDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000794604593 1049647980 /nfs/dbraw/zinc/64/79/80/1049647980.db2.gz PAIPXZSJPRUACW-GDBMZVCRSA-N 1 0 324.877 4.006 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001206094838 1049652185 /nfs/dbraw/zinc/65/21/85/1049652185.db2.gz XIYCCYTYIRRTIR-UHFFFAOYSA-N 1 0 324.211 4.152 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc(F)c(F)c1 ZINC000775723796 1049667621 /nfs/dbraw/zinc/66/76/21/1049667621.db2.gz NJURNNNUWCIYJY-GXFFZTMASA-N 1 0 306.183 4.365 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774390838 1049656593 /nfs/dbraw/zinc/65/65/93/1049656593.db2.gz ILURAGKLGMVUQX-SNVBAGLBSA-N 1 0 320.223 4.298 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000774451292 1049665948 /nfs/dbraw/zinc/66/59/48/1049665948.db2.gz XMSNEVBHPVBQNM-OAQYLSRUSA-N 1 0 305.421 4.248 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000774454886 1049666580 /nfs/dbraw/zinc/66/65/80/1049666580.db2.gz DSTVCTMCDAMVHT-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000775726087 1049669207 /nfs/dbraw/zinc/66/92/07/1049669207.db2.gz YZYVMNWXTLTHSQ-MSOLQXFVSA-N 1 0 321.342 4.044 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000774480611 1049673713 /nfs/dbraw/zinc/67/37/13/1049673713.db2.gz WVTTXFSBTIMXPU-HZPDHXFCSA-N 1 0 316.445 4.429 20 30 DIEDRO N#CCc1cccc2c1CC[N@H+](CCSCc1ccccc1)C2 ZINC001196622678 1049677525 /nfs/dbraw/zinc/67/75/25/1049677525.db2.gz JXDVSCPDBFZVLM-UHFFFAOYSA-N 1 0 322.477 4.044 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001182491220 1049682066 /nfs/dbraw/zinc/68/20/66/1049682066.db2.gz VOGHAKDEYJHGEE-RRFJBIMHSA-N 1 0 310.482 4.013 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000121471407 1049685719 /nfs/dbraw/zinc/68/57/19/1049685719.db2.gz JRIRDEQBCNIKEA-YQQAZPJKSA-N 1 0 323.864 4.020 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC001182543402 1049685934 /nfs/dbraw/zinc/68/59/34/1049685934.db2.gz LTGOWCSHXNZQSD-UHFFFAOYSA-N 1 0 324.493 4.230 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)cc1 ZINC001182714505 1049704126 /nfs/dbraw/zinc/70/41/26/1049704126.db2.gz MGNRKKATMHSDBR-UHFFFAOYSA-N 1 0 315.460 4.439 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC001182795575 1049710753 /nfs/dbraw/zinc/71/07/53/1049710753.db2.gz GKBJQEILFWEVOC-SJORKVTESA-N 1 0 324.509 4.071 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(Cl)cc1O ZINC001206320892 1049711511 /nfs/dbraw/zinc/71/15/11/1049711511.db2.gz OOMAWNOSHPQJRU-KRWDZBQOSA-N 1 0 312.800 4.084 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C2CCC2)CC1 ZINC001182795908 1049711618 /nfs/dbraw/zinc/71/16/18/1049711618.db2.gz NJXWKYLKVYWCEA-UHFFFAOYSA-N 1 0 317.860 4.364 20 30 DIEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC001206328269 1049713648 /nfs/dbraw/zinc/71/36/48/1049713648.db2.gz IJADGOUIRLVMNN-NQERJWCQSA-N 1 0 320.436 4.301 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC001206358921 1049719904 /nfs/dbraw/zinc/71/99/04/1049719904.db2.gz YDROKEMWEMPNKN-CHWSQXEVSA-N 1 0 312.479 4.329 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCc1cccc(C#N)c1 ZINC001197115636 1049723769 /nfs/dbraw/zinc/72/37/69/1049723769.db2.gz NMHMSOSGOSQLSB-HNNXBMFYSA-N 1 0 323.396 4.010 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001206421357 1049732797 /nfs/dbraw/zinc/73/27/97/1049732797.db2.gz ZNUFDBPIVFDCEE-JONQDZQNSA-N 1 0 310.482 4.013 20 30 DIEDRO C[C@@H](C#N)CN(C)CCSc1ccnc2cc(Cl)ccc21 ZINC000489203594 1049733311 /nfs/dbraw/zinc/73/33/11/1049733311.db2.gz ZRQXDVPEAJZGOK-LBPRGKRZSA-N 1 0 319.861 4.072 20 30 DIEDRO Cc1ccc([C@H](CNc2cccc(F)c2C#N)[NH+]2CCCC2)cc1 ZINC000489209820 1049733549 /nfs/dbraw/zinc/73/35/49/1049733549.db2.gz ZBAMYSSTFZASMP-FQEVSTJZSA-N 1 0 323.415 4.255 20 30 DIEDRO C[C@H](C#N)CN(C)CCSc1ccnc2cc(Cl)ccc21 ZINC000489203593 1049733798 /nfs/dbraw/zinc/73/37/98/1049733798.db2.gz ZRQXDVPEAJZGOK-GFCCVEGCSA-N 1 0 319.861 4.072 20 30 DIEDRO N#CCc1ccc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)cc1 ZINC001206440563 1049734818 /nfs/dbraw/zinc/73/48/18/1049734818.db2.gz RRWCPIXKPFCPOJ-UHFFFAOYSA-N 1 0 319.235 4.392 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC001197314869 1049736842 /nfs/dbraw/zinc/73/68/42/1049736842.db2.gz GCIDLSPDVOXBJL-QGZVFWFLSA-N 1 0 317.477 4.093 20 30 DIEDRO CCSc1ccccc1C[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC001206516661 1049748143 /nfs/dbraw/zinc/74/81/43/1049748143.db2.gz BFKDSZINVNBOID-HNNXBMFYSA-N 1 0 302.487 4.403 20 30 DIEDRO CCSc1ccccc1C[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC001206516662 1049748284 /nfs/dbraw/zinc/74/82/84/1049748284.db2.gz BFKDSZINVNBOID-OAHLLOKOSA-N 1 0 302.487 4.403 20 30 DIEDRO N#Cc1sc(-c2ccc(F)cc2)cc1Nc1cc[nH+]c(N)c1 ZINC001206522428 1049750114 /nfs/dbraw/zinc/75/01/14/1049750114.db2.gz PLUBAPYCQHGJQD-UHFFFAOYSA-N 1 0 310.357 4.147 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1nccn1C ZINC001206523926 1049750635 /nfs/dbraw/zinc/75/06/35/1049750635.db2.gz VXBKJSBYQPGZEZ-HKUYNNGSSA-N 1 0 311.473 4.428 20 30 DIEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000489403103 1049751812 /nfs/dbraw/zinc/75/18/12/1049751812.db2.gz NKUZXIXDRFSSSH-LJQANCHMSA-N 1 0 308.425 4.201 20 30 DIEDRO Cc1ccc(CNC(NCc2cccs2)=[NH+]C(C)(C)C)s1 ZINC000912507140 1049754327 /nfs/dbraw/zinc/75/43/27/1049754327.db2.gz VRSFZKCVAVSYPA-UHFFFAOYSA-N 1 0 321.515 4.152 20 30 DIEDRO C=C[C@@H]1CCCCN1Cc1csc(-c2cccc(OC)c2)n1 ZINC000489443927 1049758850 /nfs/dbraw/zinc/75/88/50/1049758850.db2.gz YHMVVRMMVMTDPN-MRXNPFEDSA-N 1 0 314.454 4.359 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001206801619 1049801570 /nfs/dbraw/zinc/80/15/70/1049801570.db2.gz WZBWALJMKQOMEJ-INIZCTEOSA-N 1 0 309.384 4.463 20 30 DIEDRO C[C@H](CC1CCCC1)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001207035333 1049823740 /nfs/dbraw/zinc/82/37/40/1049823740.db2.gz NVGAAWDMLBZEPA-MRXNPFEDSA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC001207036289 1049823794 /nfs/dbraw/zinc/82/37/94/1049823794.db2.gz WMGGOSAMSUDKRP-VIFPVBQESA-N 1 0 304.178 4.172 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)CC2 ZINC001207179184 1049851612 /nfs/dbraw/zinc/85/16/12/1049851612.db2.gz BLGNGOZNJDKYHQ-QUCCMNQESA-N 1 0 322.839 4.373 20 30 DIEDRO CCCC[N@@H+](CCC#N)CCCc1ccc(Br)cc1 ZINC001207322592 1049881240 /nfs/dbraw/zinc/88/12/40/1049881240.db2.gz XFBQBQKXNLRRSK-UHFFFAOYSA-N 1 0 323.278 4.397 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001207345115 1049882219 /nfs/dbraw/zinc/88/22/19/1049882219.db2.gz ZCZXJPZNJFRCHV-UHFFFAOYSA-N 1 0 318.411 4.369 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001207449172 1049893583 /nfs/dbraw/zinc/89/35/83/1049893583.db2.gz QZYZJZYQGMWMFN-QGZVFWFLSA-N 1 0 303.446 4.476 20 30 DIEDRO N#Cc1ccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1Cl ZINC000586779273 1049898661 /nfs/dbraw/zinc/89/86/61/1049898661.db2.gz UPPIUMVZDJTKKJ-UPHRSURJSA-N 1 0 318.754 4.293 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CCc3ccccc3F)CC2)cc1 ZINC001207503255 1049900600 /nfs/dbraw/zinc/90/06/00/1049900600.db2.gz VPLGQVLSLTUUAY-UHFFFAOYSA-N 1 0 308.400 4.119 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2coc3ccccc23)cc1C#N ZINC001207548689 1049907369 /nfs/dbraw/zinc/90/73/69/1049907369.db2.gz KVGOXWBCDCBXLP-UHFFFAOYSA-N 1 0 308.406 4.316 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001207557190 1049908948 /nfs/dbraw/zinc/90/89/48/1049908948.db2.gz BQDVKFNEURVXIN-APVFSFMPSA-N 1 0 308.469 4.272 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)c(F)c1 ZINC000187770857 1049911113 /nfs/dbraw/zinc/91/11/13/1049911113.db2.gz IYQRHSGBQVDTNB-ROUUACIJSA-N 1 0 321.342 4.044 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000054978925 1049911396 /nfs/dbraw/zinc/91/13/96/1049911396.db2.gz SYVVLOXQKDGAIL-IBGZPJMESA-N 1 0 310.372 4.043 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](CCCc1cccc(Cl)c1)CC2 ZINC001207583221 1049911574 /nfs/dbraw/zinc/91/15/74/1049911574.db2.gz BPMYGGTXQUYDCL-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO C=CC(C)(C)[NH2+]C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001207753169 1049935301 /nfs/dbraw/zinc/93/53/01/1049935301.db2.gz SNYGIUQLZICJGX-AWEZNQCLSA-N 1 0 312.498 4.260 20 30 DIEDRO C=CCc1cc(OC)cc(C[NH2+]C2(c3ccccc3)CCC2)c1O ZINC000164228862 1049925281 /nfs/dbraw/zinc/92/52/81/1049925281.db2.gz WIRAQTGZUUDGCY-UHFFFAOYSA-N 1 0 323.436 4.298 20 30 DIEDRO C[C@@H](c1nccc2ccccc21)[N@H+](C)Cc1cc(C#N)cs1 ZINC001207685411 1049927283 /nfs/dbraw/zinc/92/72/83/1049927283.db2.gz RNNHLIHWBWOSQK-ZDUSSCGKSA-N 1 0 307.422 4.361 20 30 DIEDRO Cc1cnc(CC[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000571320172 1049929475 /nfs/dbraw/zinc/92/94/75/1049929475.db2.gz IGBFAXDMLGOEGS-FQEVSTJZSA-N 1 0 307.441 4.266 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000192988665 1049946121 /nfs/dbraw/zinc/94/61/21/1049946121.db2.gz OZMUEPJEEOPHLF-INIZCTEOSA-N 1 0 305.425 4.009 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC001207894190 1049950741 /nfs/dbraw/zinc/95/07/41/1049950741.db2.gz CWAUSCBRSHVIGE-DYESRHJHSA-N 1 0 320.436 4.300 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC2(CCCNC2=O)CC1 ZINC001207899392 1049950805 /nfs/dbraw/zinc/95/08/05/1049950805.db2.gz XUCPQZQCEJIYBF-UHFFFAOYSA-N 1 0 320.521 4.285 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC001207894763 1049951001 /nfs/dbraw/zinc/95/10/01/1049951001.db2.gz WKMPWVSYMXFFTM-UWJYYQICSA-N 1 0 320.436 4.300 20 30 DIEDRO C=CCCCCCCCCC[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC001207899554 1049952082 /nfs/dbraw/zinc/95/20/82/1049952082.db2.gz FSHUUGFUSOVDFQ-QGZVFWFLSA-N 1 0 305.466 4.474 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCN(CCC(C)(C)O)CC1 ZINC001207899634 1049952094 /nfs/dbraw/zinc/95/20/94/1049952094.db2.gz JFWMWSHEFZNYBM-UHFFFAOYSA-N 1 0 324.553 4.072 20 30 DIEDRO C=CCN1CC[NH+](C[C@@H]2CC=C(CCC=C(C)C)CC2)CC1 ZINC001207942150 1049963254 /nfs/dbraw/zinc/96/32/54/1049963254.db2.gz VOUWFCPJNWTALX-HXUWFJFHSA-N 1 0 302.506 4.263 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001208118327 1049975095 /nfs/dbraw/zinc/97/50/95/1049975095.db2.gz FZIPFPLGCNGMGN-ZHACJKMWSA-N 1 0 308.510 4.140 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001208118409 1049975259 /nfs/dbraw/zinc/97/52/59/1049975259.db2.gz GMRZCKCBFBAWPI-CMDGGOBGSA-N 1 0 306.494 4.038 20 30 DIEDRO CCCCCCC/C=C/C[N@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001208124130 1049975474 /nfs/dbraw/zinc/97/54/74/1049975474.db2.gz LIDSKMNPIGOTNN-TZZQJPOUSA-N 1 0 308.510 4.234 20 30 DIEDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000588204789 1049975757 /nfs/dbraw/zinc/97/57/57/1049975757.db2.gz QQRFJFCTMINPOG-JXFKEZNVSA-N 1 0 319.452 4.466 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001208170088 1049981017 /nfs/dbraw/zinc/98/10/17/1049981017.db2.gz CEPAOZIHGRTLLR-UXPWSPDFSA-N 1 0 307.437 4.201 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCCCCOc3ccccc3)CC2)c1 ZINC000572127098 1049995648 /nfs/dbraw/zinc/99/56/48/1049995648.db2.gz YOWZCQYRZOLXNN-UHFFFAOYSA-N 1 0 320.436 4.386 20 30 DIEDRO N#C[C@@H]1CC[C@H](S[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000572363095 1050001189 /nfs/dbraw/zinc/00/11/89/1050001189.db2.gz INLHMCOKDZZNOL-SQNIBIBYSA-N 1 0 300.471 4.076 20 30 DIEDRO CC1(C#N)CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001208826567 1050012924 /nfs/dbraw/zinc/01/29/24/1050012924.db2.gz YKCLHXORWGKDQT-UHFFFAOYSA-N 1 0 321.262 4.007 20 30 DIEDRO CC[N@H+](CCCc1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC001208850577 1050016285 /nfs/dbraw/zinc/01/62/85/1050016285.db2.gz DYKMELMWJSXHKS-UHFFFAOYSA-N 1 0 308.425 4.022 20 30 DIEDRO CC(C)c1nc(CN(C)CCCc2cccc(C#N)c2)cs1 ZINC001208850315 1050016436 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COc1cccc([C@@H]2CCC[N@@H+]2CCCc2cccc(C#N)c2)c1 ZINC001208851246 1050017247 /nfs/dbraw/zinc/01/72/47/1050017247.db2.gz VBIPGVSWOPQCEM-NRFANRHFSA-N 1 0 320.436 4.337 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC001208859610 1050017760 /nfs/dbraw/zinc/01/77/60/1050017760.db2.gz DFWMVYLJAUBUKF-OAQYLSRUSA-N 1 0 322.427 4.337 20 30 DIEDRO COc1cccc(CCC[N@H+](C)CCCc2cccc(C#N)c2)c1 ZINC001208851285 1050017817 /nfs/dbraw/zinc/01/78/17/1050017817.db2.gz VQBWTRLCXRDGBH-UHFFFAOYSA-N 1 0 322.452 4.064 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCSc3ccccc3C2)cc1 ZINC001208863750 1050018054 /nfs/dbraw/zinc/01/80/54/1050018054.db2.gz CWJCZGYGXJLTNR-UHFFFAOYSA-N 1 0 308.450 4.099 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCc3cccc(Cl)c3C2)cc1 ZINC001208863763 1050018374 /nfs/dbraw/zinc/01/83/74/1050018374.db2.gz DPEJLJXCRJIAPZ-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC001208928307 1050022920 /nfs/dbraw/zinc/02/29/20/1050022920.db2.gz 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ZINC000589336754 1050027866 /nfs/dbraw/zinc/02/78/66/1050027866.db2.gz HUETYQNAMJJSOJ-RTBURBONSA-N 1 0 306.434 4.123 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1nccc2ccccc21 ZINC000589343253 1050028111 /nfs/dbraw/zinc/02/81/11/1050028111.db2.gz CSXOPJUYBJVKTD-VBKZILBWSA-N 1 0 313.404 4.445 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000589310576 1050028281 /nfs/dbraw/zinc/02/82/81/1050028281.db2.gz MVRMRQVXPZFBFM-UHFFFAOYSA-N 1 0 316.326 4.380 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)ccc1F ZINC000589310115 1050028363 /nfs/dbraw/zinc/02/83/63/1050028363.db2.gz LONJDDRKDQYSBO-UHFFFAOYSA-N 1 0 322.305 4.314 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000589314048 1050028400 /nfs/dbraw/zinc/02/84/00/1050028400.db2.gz CZWCANMOWYUVRS-NSHDSACASA-N 1 0 320.314 4.133 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)CC2 ZINC000589341699 1050028687 /nfs/dbraw/zinc/02/86/87/1050028687.db2.gz WWYCSJGJRRPVGE-NHCUHLMSSA-N 1 0 302.421 4.156 20 30 DIEDRO CCCCCCCCCC[N@H+](C)C[C@H]1CCCN(C(C)=O)C1 ZINC001208977912 1050029309 /nfs/dbraw/zinc/02/93/09/1050029309.db2.gz XFJCATJZOKMSHI-LJQANCHMSA-N 1 0 310.526 4.317 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(C(F)(F)F)cc1 ZINC001209126432 1050038734 /nfs/dbraw/zinc/03/87/34/1050038734.db2.gz XOIOTWKICPTZDT-MKZZRHPPSA-N 1 0 308.347 4.014 20 30 DIEDRO CC(=O)OC(C)(C)CCC[N@H+](CCC#N)C1CCCCCCC1 ZINC001209154039 1050039413 /nfs/dbraw/zinc/03/94/13/1050039413.db2.gz IUAALRUYIYCECF-UHFFFAOYSA-N 1 0 322.493 4.437 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001209158387 1050040738 /nfs/dbraw/zinc/04/07/38/1050040738.db2.gz MUPHFIRUEGZCNW-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO N#CCCN(CCCc1ccncc1)Cc1ccc(Cl)cc1 ZINC001209189035 1050042627 /nfs/dbraw/zinc/04/26/27/1050042627.db2.gz JLEDOUXYOOYQFM-UHFFFAOYSA-N 1 0 313.832 4.083 20 30 DIEDRO C=CCCCC[N@@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001209200971 1050043568 /nfs/dbraw/zinc/04/35/68/1050043568.db2.gz QZQSEZKYOZNLNM-USXIJHARSA-N 1 0 318.486 4.139 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001209200367 1050043590 /nfs/dbraw/zinc/04/35/90/1050043590.db2.gz GWIISTDZMWPQSW-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCC[N@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001209201648 1050043657 /nfs/dbraw/zinc/04/36/57/1050043657.db2.gz OSVWHTYIVPZHPM-LJQANCHMSA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCC[NH+]1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001209202686 1050043677 /nfs/dbraw/zinc/04/36/77/1050043677.db2.gz NEQSMNNKTVGDPA-UHFFFAOYSA-N 1 0 321.424 4.350 20 30 DIEDRO C=CCCCC[NH+]1CCC2(CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC001209201925 1050043824 /nfs/dbraw/zinc/04/38/24/1050043824.db2.gz ZJDWYMWCUQPSDL-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001209201882 1050043915 /nfs/dbraw/zinc/04/39/15/1050043915.db2.gz XSURPPJYZDNMNN-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001209201809 1050044138 /nfs/dbraw/zinc/04/41/38/1050044138.db2.gz TXZQGYUKRYWYDN-LJQANCHMSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCC[N@@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001209206778 1050044368 /nfs/dbraw/zinc/04/43/68/1050044368.db2.gz AKVJBBUMUJVSGK-UHFFFAOYSA-N 1 0 310.482 4.064 20 30 DIEDRO C[N@H+](CCc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC001209282684 1050049316 /nfs/dbraw/zinc/04/93/16/1050049316.db2.gz UFXVGAQIDWCCAP-UHFFFAOYSA-N 1 0 318.342 4.252 20 30 DIEDRO CC/C=C\CCCCCC[NH+]1CCC(C#N)(C(=O)OCC)CC1 ZINC001209288051 1050050520 /nfs/dbraw/zinc/05/05/20/1050050520.db2.gz ALLVETWEUCVYLV-WAYWQWQTSA-N 1 0 320.477 4.072 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC(F)(F)F)cc1 ZINC000165497623 1050055285 /nfs/dbraw/zinc/05/52/85/1050055285.db2.gz CLBJIVDKRQWBMP-LLVKDONJSA-N 1 0 307.743 4.421 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC(F)(F)F)cc1 ZINC000165497517 1050055308 /nfs/dbraw/zinc/05/53/08/1050055308.db2.gz CLBJIVDKRQWBMP-NSHDSACASA-N 1 0 307.743 4.421 20 30 DIEDRO COc1cc(C#N)ccc1Nc1ccccc1C[NH+]1CCCCC1 ZINC001209410601 1050056800 /nfs/dbraw/zinc/05/68/00/1050056800.db2.gz BULUDOUKRQXLJU-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001209423598 1050057923 /nfs/dbraw/zinc/05/79/23/1050057923.db2.gz UMUNHZKNVBAIKU-IBGZPJMESA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCCCC[N@@H+](C)Cc1cncc(Br)c1 ZINC001209436059 1050059346 /nfs/dbraw/zinc/05/93/46/1050059346.db2.gz PTVLRGMSUHBZCM-UHFFFAOYSA-N 1 0 311.267 4.412 20 30 DIEDRO C=CCCCCCCCN1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001209438997 1050059644 /nfs/dbraw/zinc/05/96/44/1050059644.db2.gz FDWNEDXBBXERBZ-HXUWFJFHSA-N 1 0 322.537 4.088 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001209436348 1050059695 /nfs/dbraw/zinc/05/96/95/1050059695.db2.gz UWAKKQSQOQNFTJ-UHFFFAOYSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCCCCC[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001209444488 1050060202 /nfs/dbraw/zinc/06/02/02/1050060202.db2.gz QYCIPAXZVRYYAQ-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO C=CCCCCCCCC[N@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001209444681 1050060293 /nfs/dbraw/zinc/06/02/93/1050060293.db2.gz XYEJVRNOIXGZAN-FQEVSTJZSA-N 1 0 320.521 4.380 20 30 DIEDRO C=CCCCCCCCC[N@@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001209446145 1050060544 /nfs/dbraw/zinc/06/05/44/1050060544.db2.gz SHRHREJWFLXAKQ-LJQANCHMSA-N 1 0 308.510 4.234 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCC[C@]2(C[C@@H](CCOC)CO2)C1 ZINC001209442509 1050060769 /nfs/dbraw/zinc/06/07/69/1050060769.db2.gz WGFZQDXMEVEZQT-UXHICEINSA-N 1 0 323.521 4.421 20 30 DIEDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC001209517248 1050066135 /nfs/dbraw/zinc/06/61/35/1050066135.db2.gz AUGOZNNIXYKDRG-UHFFFAOYSA-N 1 0 307.441 4.220 20 30 DIEDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001209520042 1050066409 /nfs/dbraw/zinc/06/64/09/1050066409.db2.gz LXBUAYQAZQHUTA-GOSISDBHSA-N 1 0 307.441 4.220 20 30 DIEDRO C=CCC[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccccc1 ZINC001209581916 1050069045 /nfs/dbraw/zinc/06/90/45/1050069045.db2.gz RYSMMCQOBDDYTA-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1 ZINC000590068570 1050076597 /nfs/dbraw/zinc/07/65/97/1050076597.db2.gz BSMNRNHINKEHKF-HNNXBMFYSA-N 1 0 311.454 4.157 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000590067208 1050076774 /nfs/dbraw/zinc/07/67/74/1050076774.db2.gz CSQYWHBGFZZBQE-DHDCSXOGSA-N 1 0 324.399 4.037 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)nc1 ZINC000590068587 1050076907 /nfs/dbraw/zinc/07/69/07/1050076907.db2.gz CVEYSHHKMNPSHU-IBGZPJMESA-N 1 0 309.413 4.005 20 30 DIEDRO C=C(C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1)c1ccccc1 ZINC000590183930 1050080618 /nfs/dbraw/zinc/08/06/18/1050080618.db2.gz FHVSIRWDRSJCPP-IEBWSBKVSA-N 1 0 315.457 4.192 20 30 DIEDRO CN(C)c1ccccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001209779896 1050083589 /nfs/dbraw/zinc/08/35/89/1050083589.db2.gz RIPTUSIFNYUIQA-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000590647761 1050101645 /nfs/dbraw/zinc/10/16/45/1050101645.db2.gz PMSUBSGFVFDRNE-VQTJNVASSA-N 1 0 320.436 4.272 20 30 DIEDRO CCOc1ccc(C[C@@H](C)C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000590780281 1050106739 /nfs/dbraw/zinc/10/67/39/1050106739.db2.gz DEMBSGUMEOTXFM-PPDQVPDSSA-N 1 0 314.473 4.326 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000591021371 1050121727 /nfs/dbraw/zinc/12/17/27/1050121727.db2.gz BYWFVJVTGLLFTP-KRWDZBQOSA-N 1 0 312.363 4.312 20 30 DIEDRO C=C(C)C[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000591082875 1050122381 /nfs/dbraw/zinc/12/23/81/1050122381.db2.gz ZOABAKPVMHWMBI-CYBMUJFWSA-N 1 0 312.276 4.494 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000591241420 1050131808 /nfs/dbraw/zinc/13/18/08/1050131808.db2.gz INZYRLRYKCFUQE-JLTOFOAXSA-N 1 0 306.409 4.213 20 30 DIEDRO CCc1oc2ccccc2c1C[NH2+]Cc1cccc(OCC#N)c1 ZINC000113347400 1050153375 /nfs/dbraw/zinc/15/33/75/1050153375.db2.gz AGDZADWABDXRHJ-UHFFFAOYSA-N 1 0 320.392 4.187 20 30 DIEDRO CCCCCCCCCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733770188 1050154575 /nfs/dbraw/zinc/15/45/75/1050154575.db2.gz WPJAEFBJZHJUJB-UHFFFAOYSA-N 1 0 314.433 4.347 20 30 DIEDRO CC[C@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000770390114 1050154758 /nfs/dbraw/zinc/15/47/58/1050154758.db2.gz KDNALUZYDRUFDP-WIYYLYMNSA-N 1 0 320.436 4.125 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C/C=C\c2ccccc2)c1 ZINC000733800495 1050156062 /nfs/dbraw/zinc/15/60/62/1050156062.db2.gz WBPZSHHUDNMEKJ-KOTDBNOLSA-N 1 0 306.409 4.171 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)c1cccc(OC)c1 ZINC000045806509 1050156263 /nfs/dbraw/zinc/15/62/63/1050156263.db2.gz FQCLCHDMCCMZIP-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](CC)C2CCC2)ccc1OC ZINC000823848304 1050161126 /nfs/dbraw/zinc/16/11/26/1050161126.db2.gz RXXFODJCXFZQBV-IRXDYDNUSA-N 1 0 316.445 4.044 20 30 DIEDRO FC(F)(F)c1ccccc1[C@H]1CCCCCC1=[NH+]n1cnnc1 ZINC000770591563 1050175280 /nfs/dbraw/zinc/17/52/80/1050175280.db2.gz YAJJRQIQNIVPGX-CYBMUJFWSA-N 1 0 322.334 4.249 20 30 DIEDRO C[N@@H+]1CCC[C@H](OCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC001210247217 1050179879 /nfs/dbraw/zinc/17/98/79/1050179879.db2.gz RRUXZAJIINPSJE-FQEVSTJZSA-N 1 0 320.436 4.226 20 30 DIEDRO N#CCC[N@H+](C1CCCC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171045115 1050182493 /nfs/dbraw/zinc/18/24/93/1050182493.db2.gz RBEGUAHPKKDWCB-INIZCTEOSA-N 1 0 302.849 4.356 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1Cl ZINC000591706870 1050199566 /nfs/dbraw/zinc/19/95/66/1050199566.db2.gz LTTCKCZIJQKCFE-INIZCTEOSA-N 1 0 313.828 4.334 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCc3c(F)cccc32)cc1 ZINC000824469074 1050218777 /nfs/dbraw/zinc/21/87/77/1050218777.db2.gz WBZIPBIDOUBKLU-VLIAUNLRSA-N 1 0 324.399 4.284 20 30 DIEDRO Cc1cc(C#N)ccc1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001210376135 1050223269 /nfs/dbraw/zinc/22/32/69/1050223269.db2.gz NFEYDNQPPWXSNP-UHFFFAOYSA-N 1 0 305.425 4.420 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@@H]2CCc3ccccc32)cc1 ZINC000824548494 1050226170 /nfs/dbraw/zinc/22/61/70/1050226170.db2.gz IHFYNYHOSBDJKG-LPHOPBHVSA-N 1 0 320.436 4.187 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001171062440 1050232486 /nfs/dbraw/zinc/23/24/86/1050232486.db2.gz AYHWBYLKYWUJMP-WOJBJXKFSA-N 1 0 303.409 4.082 20 30 DIEDRO C[C@H]1CC(=NOCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000734298748 1050244522 /nfs/dbraw/zinc/24/45/22/1050244522.db2.gz KAPHQXZFZPYIBX-KRWDZBQOSA-N 1 0 308.425 4.244 20 30 DIEDRO CCCCCCC[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000771468571 1050253886 /nfs/dbraw/zinc/25/38/86/1050253886.db2.gz XJFCRXXCSFXAPH-GOSISDBHSA-N 1 0 320.521 4.071 20 30 DIEDRO N#Cc1coc(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC001171073128 1050268053 /nfs/dbraw/zinc/26/80/53/1050268053.db2.gz ARVPKMVXLZEPDP-CYBMUJFWSA-N 1 0 321.207 4.105 20 30 DIEDRO N#Cc1cnccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000592107616 1050268606 /nfs/dbraw/zinc/26/86/06/1050268606.db2.gz MHVMQTYJGJMAJR-HBMCJLEFSA-N 1 0 317.436 4.111 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592072019 1050269173 /nfs/dbraw/zinc/26/91/73/1050269173.db2.gz FAUZSBJYXJRBAV-UXHICEINSA-N 1 0 305.425 4.030 20 30 DIEDRO CCCC[N@H+](CCCC(C)(C)C#N)[C@@H]1CCc2ncsc2C1 ZINC000592189004 1050274338 /nfs/dbraw/zinc/27/43/38/1050274338.db2.gz RWYRLVXNFWHTII-OAHLLOKOSA-N 1 0 319.518 4.432 20 30 DIEDRO N#CC1CC[NH+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171074470 1050278588 /nfs/dbraw/zinc/27/85/88/1050278588.db2.gz RDPLSBGEEDPMHN-CQSZACIVSA-N 1 0 309.240 4.086 20 30 DIEDRO C=CCc1cc(OCC)cc(C[NH+](CC2CC2)CC2CC2)c1O ZINC000734478644 1050278890 /nfs/dbraw/zinc/27/88/90/1050278890.db2.gz XVZMZYQBBQTZEH-UHFFFAOYSA-N 1 0 315.457 4.141 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccncc1 ZINC000734509651 1050279817 /nfs/dbraw/zinc/27/98/17/1050279817.db2.gz NPONZFYGZWZUSF-GOSISDBHSA-N 1 0 308.425 4.202 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC000592186550 1050288602 /nfs/dbraw/zinc/28/86/02/1050288602.db2.gz DJXPWKTUCMNNQD-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO CC[C@H]([NH2+]C1(c2ccccc2OC)CC1)c1ccc(C#N)cc1 ZINC000592392798 1050291754 /nfs/dbraw/zinc/29/17/54/1050291754.db2.gz AZAVAYIETYRNIO-SFHVURJKSA-N 1 0 306.409 4.297 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(c3cccc(F)c3)CCC1)CC2 ZINC000592395266 1050295070 /nfs/dbraw/zinc/29/50/70/1050295070.db2.gz VJIRAEMHJUPDJL-IBGZPJMESA-N 1 0 306.384 4.354 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171084455 1050297548 /nfs/dbraw/zinc/29/75/48/1050297548.db2.gz ZAEMRAKLDLGZQD-SWLSCSKDSA-N 1 0 323.267 4.476 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592391405 1050297725 /nfs/dbraw/zinc/29/77/25/1050297725.db2.gz FIKPANNELPZLDM-HNNXBMFYSA-N 1 0 310.466 4.195 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cscc2Cl)c1 ZINC000771964851 1050304943 /nfs/dbraw/zinc/30/49/43/1050304943.db2.gz VSLHEDOPINSTIC-AWEZNQCLSA-N 1 0 320.845 4.372 20 30 DIEDRO C[C@@]1(C#N)CCN([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088859 1050304998 /nfs/dbraw/zinc/30/49/98/1050304998.db2.gz WVAVMWVADKCLCI-CJNGLKHVSA-N 1 0 309.240 4.086 20 30 DIEDRO C[C@H](c1ccccc1)[NH+]1CCC(/N=C/c2ccccc2O)CC1 ZINC000734749504 1050307002 /nfs/dbraw/zinc/30/70/02/1050307002.db2.gz CUJGIANGHIGGSQ-GXPOEHQZSA-N 1 0 308.425 4.037 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@]2(C)CCCc3ccccc32)cc1 ZINC000734844487 1050325186 /nfs/dbraw/zinc/32/51/86/1050325186.db2.gz ZCJULOXYHZGCBR-KKSFZXQISA-N 1 0 320.436 4.319 20 30 DIEDRO N#Cc1c(F)c(Cl)ccc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210711876 1050342767 /nfs/dbraw/zinc/34/27/67/1050342767.db2.gz AFOGVTDDZHEDGP-ZDUSSCGKSA-N 1 0 319.811 4.295 20 30 DIEDRO N#Cc1ccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c2cccnc12 ZINC001210710557 1050343266 /nfs/dbraw/zinc/34/32/66/1050343266.db2.gz BMTHSISXWSCHRE-KRWDZBQOSA-N 1 0 318.424 4.051 20 30 DIEDRO N#Cc1cc(Cl)cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001210710933 1050343539 /nfs/dbraw/zinc/34/35/39/1050343539.db2.gz FMQUQFKSJGUPHO-QGZVFWFLSA-N 1 0 301.821 4.156 20 30 DIEDRO CC(C)(C#N)c1cccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001210714085 1050346475 /nfs/dbraw/zinc/34/64/75/1050346475.db2.gz JOIUPPQYLIKLOB-LJQANCHMSA-N 1 0 309.457 4.432 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCNc2cc(Br)ccc21 ZINC001246500537 1050351104 /nfs/dbraw/zinc/35/11/04/1050351104.db2.gz PSFWKEKZBUVDGQ-RISCZKNCSA-N 1 0 309.251 4.250 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3CCc4cc(Cl)ccc4C3)(CC1)CC2 ZINC001171105272 1050357966 /nfs/dbraw/zinc/35/79/66/1050357966.db2.gz RDBQHGOOABGAOM-LMDPOFIKSA-N 1 0 314.860 4.403 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000592367526 1050364693 /nfs/dbraw/zinc/36/46/93/1050364693.db2.gz RBVSJSPQGFVALI-STXHMFSFSA-N 1 0 306.409 4.053 20 30 DIEDRO CSC1(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000574089447 1050371507 /nfs/dbraw/zinc/37/15/07/1050371507.db2.gz GCJJZZVPYHZSJE-SJORKVTESA-N 1 0 300.471 4.044 20 30 DIEDRO CCC(CC)[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735308701 1050372769 /nfs/dbraw/zinc/37/27/69/1050372769.db2.gz PQURALRJXWUXAZ-UHFFFAOYSA-N 1 0 306.837 4.395 20 30 DIEDRO CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735311676 1050374237 /nfs/dbraw/zinc/37/42/37/1050374237.db2.gz UCPCDXOFEXNMMD-AWEZNQCLSA-N 1 0 306.837 4.254 20 30 DIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cn2ccccc2n1 ZINC000574171917 1050378962 /nfs/dbraw/zinc/37/89/62/1050378962.db2.gz PIPSPSIPQHFJBV-FUHWJXTLSA-N 1 0 318.424 4.420 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000785682841 1050401850 /nfs/dbraw/zinc/40/18/50/1050401850.db2.gz LRMDNOJTTXZYBA-LJQANCHMSA-N 1 0 305.437 4.318 20 30 DIEDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000593653356 1050432915 /nfs/dbraw/zinc/43/29/15/1050432915.db2.gz FCYBSDHBEIUMFH-QZTJIDSGSA-N 1 0 318.486 4.133 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCCC#N)cc1 ZINC000593964372 1050464411 /nfs/dbraw/zinc/46/44/11/1050464411.db2.gz GJHCHEOMNCWLJI-INIZCTEOSA-N 1 0 313.445 4.083 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCC3(C#N)CCCCC3)CCC2)cc1 ZINC000594034518 1050470195 /nfs/dbraw/zinc/47/01/95/1050470195.db2.gz CFOLNIGXJLSHDP-UHFFFAOYSA-N 1 0 307.441 4.391 20 30 DIEDRO CC(C)(C#N)CC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594039471 1050470929 /nfs/dbraw/zinc/47/09/29/1050470929.db2.gz ZHOAOFWDSUUBEB-UHFFFAOYSA-N 1 0 312.335 4.104 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCC[C@H]2CC2CCCC2)CCOCC1 ZINC000594053470 1050473835 /nfs/dbraw/zinc/47/38/35/1050473835.db2.gz QBFFSCYRSSVXNU-SFHVURJKSA-N 1 0 304.478 4.132 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000736629669 1050485464 /nfs/dbraw/zinc/48/54/64/1050485464.db2.gz STMVSTYVTDAFRY-CRAIPNDOSA-N 1 0 324.399 4.106 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(C)CCCCCC1)C(C)C ZINC001144197430 1050489404 /nfs/dbraw/zinc/48/94/04/1050489404.db2.gz HQSPQEQZQMVKJY-SFHVURJKSA-N 1 0 320.521 4.162 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2c(C#N)cccc2C(F)(F)F)cc1 ZINC001211131479 1050489716 /nfs/dbraw/zinc/48/97/16/1050489716.db2.gz WOAWDMODAVPMGV-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2ccc(Cl)c(Cl)c2C#N)cc1 ZINC001211131843 1050489930 /nfs/dbraw/zinc/48/99/30/1050489930.db2.gz UMZYSTJEKYXIPH-UHFFFAOYSA-N 1 0 306.196 4.328 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCCCCCC1)C(C)C ZINC001144198151 1050490894 /nfs/dbraw/zinc/49/08/94/1050490894.db2.gz VSRJNQPKQMRLOI-LJQANCHMSA-N 1 0 320.521 4.162 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2oc(-c3ccccc3)cc2C#N)c1 ZINC001211138007 1050492292 /nfs/dbraw/zinc/49/22/92/1050492292.db2.gz XHVHYHBDGBYLMM-UHFFFAOYSA-N 1 0 303.365 4.281 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000046517841 1050496266 /nfs/dbraw/zinc/49/62/66/1050496266.db2.gz PPVRLHJMKZHCTQ-UHFFFAOYSA-N 1 0 304.315 4.209 20 30 DIEDRO C#CCCC[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000766221247 1050501032 /nfs/dbraw/zinc/50/10/32/1050501032.db2.gz FWKGCBBAQKAXMW-MRXNPFEDSA-N 1 0 310.466 4.499 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000737803475 1050516890 /nfs/dbraw/zinc/51/68/90/1050516890.db2.gz CJBAIMWMABDVJS-IXAFFOJKSA-N 1 0 320.521 4.426 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594497593 1050518404 /nfs/dbraw/zinc/51/84/04/1050518404.db2.gz IFMGJXOTWCATNF-LJQANCHMSA-N 1 0 320.436 4.273 20 30 DIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000594494806 1050519350 /nfs/dbraw/zinc/51/93/50/1050519350.db2.gz HKVNUZKLPMNSAE-RDTXWAMCSA-N 1 0 308.425 4.494 20 30 DIEDRO C=CC[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccncc1 ZINC000786827318 1050520742 /nfs/dbraw/zinc/52/07/42/1050520742.db2.gz DCJJGKWAAFXZDP-MHJFOBGBSA-N 1 0 308.425 4.036 20 30 DIEDRO Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CCc3cc(C#N)ccc31)CC2 ZINC000594500305 1050520910 /nfs/dbraw/zinc/52/09/10/1050520910.db2.gz MUPYUDGCKSQBAO-PMACEKPBSA-N 1 0 302.421 4.440 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000594501022 1050521390 /nfs/dbraw/zinc/52/13/90/1050521390.db2.gz CPMSRNZKXNDHKE-UHFFFAOYSA-N 1 0 300.352 4.056 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccc(F)c(F)c2)cc1 ZINC000594505054 1050521515 /nfs/dbraw/zinc/52/15/15/1050521515.db2.gz ZMJDWHBBOVZDJX-UHFFFAOYSA-N 1 0 314.379 4.098 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594500566 1050521873 /nfs/dbraw/zinc/52/18/73/1050521873.db2.gz PFWUHFUYPODPHI-MSOLQXFVSA-N 1 0 314.473 4.171 20 30 DIEDRO C=CCSc1nc2ccccc2n1C[N@@H+](CC)C1CCC1 ZINC000738058603 1050524819 /nfs/dbraw/zinc/52/48/19/1050524819.db2.gz UQLSVYINPTYVRY-UHFFFAOYSA-N 1 0 301.459 4.146 20 30 DIEDRO COc1c(C)cccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000594509714 1050524836 /nfs/dbraw/zinc/52/48/36/1050524836.db2.gz LGDOTLPCMZUSCT-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1F ZINC000594514660 1050524974 /nfs/dbraw/zinc/52/49/74/1050524974.db2.gz KUAQZWVUEODPHH-AWEZNQCLSA-N 1 0 324.399 4.436 20 30 DIEDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594515306 1050525100 /nfs/dbraw/zinc/52/51/00/1050525100.db2.gz MYIDZVNESYLRTA-KRWDZBQOSA-N 1 0 302.462 4.029 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594512218 1050525519 /nfs/dbraw/zinc/52/55/19/1050525519.db2.gz CEZDNLBPDZNRKP-OAHLLOKOSA-N 1 0 306.409 4.297 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000594516739 1050526007 /nfs/dbraw/zinc/52/60/07/1050526007.db2.gz DHDWXBKBENEBJR-FQEVSTJZSA-N 1 0 315.420 4.137 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CCC(F)(F)CC1 ZINC000594520106 1050527467 /nfs/dbraw/zinc/52/74/67/1050527467.db2.gz YXSCWVYFPNNWMD-SJKOYZFVSA-N 1 0 304.384 4.349 20 30 DIEDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517848 1050527863 /nfs/dbraw/zinc/52/78/63/1050527863.db2.gz MVHHYJPXOCLAIO-OXJNMPFZSA-N 1 0 320.436 4.303 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1O ZINC000594518885 1050527974 /nfs/dbraw/zinc/52/79/74/1050527974.db2.gz QFSAQKPMUOLBTG-AWEZNQCLSA-N 1 0 322.408 4.002 20 30 DIEDRO COc1ccsc1[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517228 1050528391 /nfs/dbraw/zinc/52/83/91/1050528391.db2.gz IQDGOWWDWZQSKP-CYBMUJFWSA-N 1 0 312.438 4.358 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000594516613 1050528811 /nfs/dbraw/zinc/52/88/11/1050528811.db2.gz SKVOZPTYCBRHLS-CQSZACIVSA-N 1 0 321.380 4.196 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000786916506 1050529254 /nfs/dbraw/zinc/52/92/54/1050529254.db2.gz LTVOLJDUWRQGES-GFCCVEGCSA-N 1 0 305.830 4.264 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1 ZINC000594525579 1050529978 /nfs/dbraw/zinc/52/99/78/1050529978.db2.gz VQCRGIPPUCNCQS-OAHLLOKOSA-N 1 0 306.400 4.403 20 30 DIEDRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000738343149 1050530687 /nfs/dbraw/zinc/53/06/87/1050530687.db2.gz ZGIWNGOALVYYRF-OAHLLOKOSA-N 1 0 324.399 4.086 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000738312449 1050532120 /nfs/dbraw/zinc/53/21/20/1050532120.db2.gz OQMIWGRZTOYNPG-PKOBYXMFSA-N 1 0 320.436 4.275 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(Cl)ccc1O ZINC000787029486 1050540234 /nfs/dbraw/zinc/54/02/34/1050540234.db2.gz XLGLXIAWZLXSTP-PIGZYNQJSA-N 1 0 312.800 4.255 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@@H]3CCOc4ccccc43)CCC2)cc1 ZINC000594622343 1050541745 /nfs/dbraw/zinc/54/17/45/1050541745.db2.gz FCVUBCRLXPBMND-KRWDZBQOSA-N 1 0 318.420 4.093 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]CCc1ccc(C2CCCCC2)cc1 ZINC000594709141 1050547390 /nfs/dbraw/zinc/54/73/90/1050547390.db2.gz DWSZOZUTJKNFLU-SFHVURJKSA-N 1 0 309.457 4.310 20 30 DIEDRO Cc1nc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)sc1C ZINC001144369528 1050555341 /nfs/dbraw/zinc/55/53/41/1050555341.db2.gz LHTYTJRHMCRYEE-UHFFFAOYSA-N 1 0 311.454 4.011 20 30 DIEDRO C=C(Cc1ccccc1)C(=O)NCC[PH+](C(C)C)C(C)C ZINC001144399584 1050558384 /nfs/dbraw/zinc/55/83/84/1050558384.db2.gz ZSHNDZTUIZUBMD-UHFFFAOYSA-N 1 0 305.402 4.200 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)CC1 ZINC000594914937 1050561416 /nfs/dbraw/zinc/56/14/16/1050561416.db2.gz NDDRMZQAJNMSOT-UHFFFAOYSA-N 1 0 302.830 4.246 20 30 DIEDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594923786 1050562693 /nfs/dbraw/zinc/56/26/93/1050562693.db2.gz LQDPEQYQYBUOHP-IRXDYDNUSA-N 1 0 300.471 4.006 20 30 DIEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594923563 1050562363 /nfs/dbraw/zinc/56/23/63/1050562363.db2.gz ZIFXHUVXDBINMF-INIZCTEOSA-N 1 0 320.436 4.058 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000594919009 1050563129 /nfs/dbraw/zinc/56/31/29/1050563129.db2.gz FWBYHWVJQXBOII-UHFFFAOYSA-N 1 0 306.384 4.160 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc2ccccc21 ZINC001171175119 1050563510 /nfs/dbraw/zinc/56/35/10/1050563510.db2.gz HRIUFCJJYMHWEC-INIZCTEOSA-N 1 0 300.405 4.432 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3cc4c(s3)CCCC4)cc2)CC1 ZINC000594916696 1050564274 /nfs/dbraw/zinc/56/42/74/1050564274.db2.gz ARQATDHHDMUIHI-UHFFFAOYSA-N 1 0 322.477 4.472 20 30 DIEDRO CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594927712 1050565738 /nfs/dbraw/zinc/56/57/38/1050565738.db2.gz QIEGXULVEFERKO-UHFFFAOYSA-N 1 0 320.436 4.319 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CCc4ccccc43)cc2)CC1 ZINC000594927838 1050565788 /nfs/dbraw/zinc/56/57/88/1050565788.db2.gz WWQXPIINYJYJAR-GOSISDBHSA-N 1 0 302.421 4.061 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000594927580 1050566177 /nfs/dbraw/zinc/56/61/77/1050566177.db2.gz VWYPFVFDCCEDKL-FQEVSTJZSA-N 1 0 302.421 4.327 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCc4ccc(F)cc43)cc2)CC1 ZINC000594925247 1050566349 /nfs/dbraw/zinc/56/63/49/1050566349.db2.gz RBOUGVUBNQEHEY-IBGZPJMESA-N 1 0 306.384 4.158 20 30 DIEDRO Cc1cc(F)ccc1CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594932401 1050567327 /nfs/dbraw/zinc/56/73/27/1050567327.db2.gz OXKFZHRACNSJEG-UHFFFAOYSA-N 1 0 308.400 4.022 20 30 DIEDRO Cc1cc(C)cc(OC[C@H](C)[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171179527 1050569413 /nfs/dbraw/zinc/56/94/13/1050569413.db2.gz SVVNJJBTPPFBKS-ROUUACIJSA-N 1 0 322.452 4.163 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001171179912 1050571416 /nfs/dbraw/zinc/57/14/16/1050571416.db2.gz YSZJZFCIGIXTGD-ZDUSSCGKSA-N 1 0 300.352 4.217 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001171179911 1050571641 /nfs/dbraw/zinc/57/16/41/1050571641.db2.gz YSZJZFCIGIXTGD-CYBMUJFWSA-N 1 0 300.352 4.217 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)cc1Cl ZINC001171179701 1050571884 /nfs/dbraw/zinc/57/18/84/1050571884.db2.gz WSRIZPHQGXAKBV-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)Cc1ccc(F)cc1 ZINC001171178645 1050573067 /nfs/dbraw/zinc/57/30/67/1050573067.db2.gz IXAAKMAFQVAKED-HNNXBMFYSA-N 1 0 310.416 4.239 20 30 DIEDRO Cc1ccc(F)c(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1Cl ZINC001171178926 1050573667 /nfs/dbraw/zinc/57/36/67/1050573667.db2.gz LZAFZKVZWDVVKP-ZDUSSCGKSA-N 1 0 316.807 4.380 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3COc4c3cccc4Cl)cc2)CC1 ZINC000594933028 1050574158 /nfs/dbraw/zinc/57/41/58/1050574158.db2.gz XUQGNCYOFUZHLD-KRWDZBQOSA-N 1 0 324.811 4.118 20 30 DIEDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594969952 1050574337 /nfs/dbraw/zinc/57/43/37/1050574337.db2.gz ACQRUJORSFHBAP-MGPUTAFESA-N 1 0 302.421 4.060 20 30 DIEDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594934182 1050575039 /nfs/dbraw/zinc/57/50/39/1050575039.db2.gz FHSSQGUNOZNEIR-OAHLLOKOSA-N 1 0 305.425 4.050 20 30 DIEDRO CC(C)[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccnc1 ZINC000594938482 1050575697 /nfs/dbraw/zinc/57/56/97/1050575697.db2.gz KVVIVFIQIJSSEF-HXUWFJFHSA-N 1 0 319.452 4.166 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001171179249 1050575953 /nfs/dbraw/zinc/57/59/53/1050575953.db2.gz PTNOWLGAIQJKAD-CYBMUJFWSA-N 1 0 323.827 4.429 20 30 DIEDRO Cc1cccc2[nH]c(C[NH2+][C@H]3CCc4cc(C#N)ccc43)cc21 ZINC000594935617 1050576431 /nfs/dbraw/zinc/57/64/31/1050576431.db2.gz BMHYWSIUIQFBDR-IBGZPJMESA-N 1 0 301.393 4.125 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(F)c1F ZINC000594939967 1050577277 /nfs/dbraw/zinc/57/72/77/1050577277.db2.gz WZSFFSSGXUYOKX-ZDUSSCGKSA-N 1 0 312.363 4.371 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594948723 1050577627 /nfs/dbraw/zinc/57/76/27/1050577627.db2.gz BVCOJFAVYDYQTJ-FQEVSTJZSA-N 1 0 315.420 4.376 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC000594944437 1050578057 /nfs/dbraw/zinc/57/80/57/1050578057.db2.gz QCNBPLFYWWSNCU-ICSRJNTNSA-N 1 0 302.421 4.135 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000594954389 1050580197 /nfs/dbraw/zinc/58/01/97/1050580197.db2.gz KZTSUPIYLYHNOK-OAHLLOKOSA-N 1 0 319.880 4.086 20 30 DIEDRO [NH2+]=C(Nc1ccc2ccoc2c1)c1ccc2cc(O)ccc2c1 ZINC001171182778 1050581324 /nfs/dbraw/zinc/58/13/24/1050581324.db2.gz SLBWFQNWBZWKGN-UHFFFAOYSA-N 1 0 302.333 4.329 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000594960895 1050582079 /nfs/dbraw/zinc/58/20/79/1050582079.db2.gz ZUCLKLOTVJFFOD-UHFFFAOYSA-N 1 0 304.484 4.209 20 30 DIEDRO Cc1ccc2[nH]ccc2c1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171184244 1050583694 /nfs/dbraw/zinc/58/36/94/1050583694.db2.gz GMDNDZRFJPSMID-UHFFFAOYSA-N 1 0 315.376 4.372 20 30 DIEDRO CC(C)(C)c1ncc(C[NH2+]C(C)(C)c2cccc(C#N)c2)s1 ZINC000594966846 1050583768 /nfs/dbraw/zinc/58/37/68/1050583768.db2.gz AZPJHKYXSGXOJX-UHFFFAOYSA-N 1 0 313.470 4.337 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000594966593 1050584254 /nfs/dbraw/zinc/58/42/54/1050584254.db2.gz NGGGPJZKEXPWGH-UHFFFAOYSA-N 1 0 316.351 4.185 20 30 DIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171186233 1050584882 /nfs/dbraw/zinc/58/48/82/1050584882.db2.gz UOJRELOMNMHICB-QZTJIDSGSA-N 1 0 322.452 4.163 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC001171186911 1050585352 /nfs/dbraw/zinc/58/53/52/1050585352.db2.gz ZWWLCFIUFNGVCU-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CC3CCCCCC3)CCOCC2)c1 ZINC000594984011 1050588221 /nfs/dbraw/zinc/58/82/21/1050588221.db2.gz KWSXGQLGPPXLNJ-UHFFFAOYSA-N 1 0 312.457 4.124 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)c1 ZINC000594996241 1050590752 /nfs/dbraw/zinc/59/07/52/1050590752.db2.gz XNJTVCINHZODTB-NHCUHLMSSA-N 1 0 320.436 4.405 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001171189455 1050591194 /nfs/dbraw/zinc/59/11/94/1050591194.db2.gz GKZRCPZYZYEXOX-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000595056240 1050592505 /nfs/dbraw/zinc/59/25/05/1050592505.db2.gz SGQLKJAXCMTLIC-QGZVFWFLSA-N 1 0 312.413 4.067 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1ccc(C#N)cc1 ZINC000595008059 1050593087 /nfs/dbraw/zinc/59/30/87/1050593087.db2.gz PBHWPPOHYJKKRT-RYUDHWBXSA-N 1 0 301.340 4.303 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCc1cccc(Cl)c1 ZINC001171189999 1050593515 /nfs/dbraw/zinc/59/35/15/1050593515.db2.gz OLJWWPTVHVGTDK-HNNXBMFYSA-N 1 0 312.844 4.365 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000595058643 1050594228 /nfs/dbraw/zinc/59/42/28/1050594228.db2.gz IDSOXVJRYHZLKC-OAHLLOKOSA-N 1 0 315.486 4.047 20 30 DIEDRO C=CCCSCC[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000595057193 1050594817 /nfs/dbraw/zinc/59/48/17/1050594817.db2.gz BMAPCWDVHYOOIJ-OAHLLOKOSA-N 1 0 309.500 4.131 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000595058236 1050594861 /nfs/dbraw/zinc/59/48/61/1050594861.db2.gz ZXXZIANSNMYOQZ-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO C=CCCSCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000595058673 1050595231 /nfs/dbraw/zinc/59/52/31/1050595231.db2.gz ITUBTBASEKESFU-GOSISDBHSA-N 1 0 316.445 4.209 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000595059822 1050595317 /nfs/dbraw/zinc/59/53/17/1050595317.db2.gz PJLMYCRCDMSFCQ-HNNXBMFYSA-N 1 0 315.486 4.141 20 30 DIEDRO CSCC1(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000595068897 1050595916 /nfs/dbraw/zinc/59/59/16/1050595916.db2.gz LSOUHWNCKJNZDB-QGZVFWFLSA-N 1 0 300.471 4.059 20 30 DIEDRO CC(C)C[N@H+](CCC#N)Cc1ccc(Cl)c2cccnc12 ZINC000739914552 1050596362 /nfs/dbraw/zinc/59/63/62/1050596362.db2.gz KJPYQEHADDZTEJ-UHFFFAOYSA-N 1 0 301.821 4.260 20 30 DIEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(Br)c(Cl)c1 ZINC000595031458 1050597789 /nfs/dbraw/zinc/59/77/89/1050597789.db2.gz HEJWZYATVHUHAD-SECBINFHSA-N 1 0 301.615 4.057 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000595035207 1050599970 /nfs/dbraw/zinc/59/99/70/1050599970.db2.gz HUANKRIRUUIJGU-WTFQOOOSSA-N 1 0 305.487 4.210 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C(F)F)nc1 ZINC000595039560 1050600250 /nfs/dbraw/zinc/60/02/50/1050600250.db2.gz QDMORQDKCAQJJQ-JTQLQIEISA-N 1 0 321.758 4.395 20 30 DIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595034087 1050600819 /nfs/dbraw/zinc/60/08/19/1050600819.db2.gz UFHRKTPHXNPKAO-NUEKZKHPSA-N 1 0 321.262 4.052 20 30 DIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(CC#N)CC1 ZINC000595049007 1050602800 /nfs/dbraw/zinc/60/28/00/1050602800.db2.gz IKWXDJQKXUXTAX-OAHLLOKOSA-N 1 0 321.262 4.054 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC001171192232 1050602856 /nfs/dbraw/zinc/60/28/56/1050602856.db2.gz LRZGHBSFQRLSJB-IIBYNOLFSA-N 1 0 317.436 4.348 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171193882 1050603891 /nfs/dbraw/zinc/60/38/91/1050603891.db2.gz DSSIFMKXYURMSR-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO COc1cc(C#N)c(Nc2cc[nH+]c(C(C)(C)C)c2)cc1OC ZINC001213166423 1050605504 /nfs/dbraw/zinc/60/55/04/1050605504.db2.gz AWGWQFNWLFMPDQ-UHFFFAOYSA-N 1 0 311.385 4.012 20 30 DIEDRO COc1ccccc1C1([NH2+][C@H](C)Cc2cccc(C#N)c2)CCC1 ZINC001171196349 1050607113 /nfs/dbraw/zinc/60/71/13/1050607113.db2.gz ZLJXQMSMADXTAR-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO C[C@]1(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1(F)F ZINC000595079625 1050608824 /nfs/dbraw/zinc/60/88/24/1050608824.db2.gz GAERPUSLOCUJPM-IRXDYDNUSA-N 1 0 304.384 4.351 20 30 DIEDRO CC(C)(C)OCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000595076809 1050609484 /nfs/dbraw/zinc/60/94/84/1050609484.db2.gz MRIZJYPUUORNBT-UHFFFAOYSA-N 1 0 314.473 4.185 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ccc(C#N)cc31)[C@H](C)C2 ZINC000595092428 1050610993 /nfs/dbraw/zinc/61/09/93/1050610993.db2.gz VPQZRSFRFNCAPO-OREJSRFESA-N 1 0 302.421 4.377 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC001171197728 1050611428 /nfs/dbraw/zinc/61/14/28/1050611428.db2.gz BTTVWBLSRWSONU-KRWDZBQOSA-N 1 0 304.437 4.102 20 30 DIEDRO COc1ccc(CC(C)(C)[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171198350 1050612136 /nfs/dbraw/zinc/61/21/36/1050612136.db2.gz KRQLHYURQQNMOI-MRXNPFEDSA-N 1 0 322.452 4.109 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(C)CCC(F)(F)CC1 ZINC001171198321 1050612769 /nfs/dbraw/zinc/61/27/69/1050612769.db2.gz KBCYBAHOLODDJA-AWEZNQCLSA-N 1 0 306.400 4.294 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(C)(C)Cc1ccccc1F ZINC001171198387 1050613769 /nfs/dbraw/zinc/61/37/69/1050613769.db2.gz LWMPPVVWOHISSB-INIZCTEOSA-N 1 0 324.443 4.487 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccco1 ZINC000787764360 1050617684 /nfs/dbraw/zinc/61/76/84/1050617684.db2.gz OXGGLHXYJOLBMO-UYAOXDASSA-N 1 0 311.425 4.101 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(C)(C)Cc1ccc(F)cc1 ZINC001171198696 1050618049 /nfs/dbraw/zinc/61/80/49/1050618049.db2.gz NZYSGGCJOCHXAG-MRXNPFEDSA-N 1 0 324.443 4.487 20 30 DIEDRO CCC1([NH2+][C@@H](C)Cc2cccc(C#N)c2)CCC(F)(F)CC1 ZINC001171197958 1050618066 /nfs/dbraw/zinc/61/80/66/1050618066.db2.gz FVGVFLNOGMMMNY-AWEZNQCLSA-N 1 0 306.400 4.437 20 30 DIEDRO CC[C@H](CC(F)F)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000595300909 1050619097 /nfs/dbraw/zinc/61/90/97/1050619097.db2.gz BYKUWNQRVZRDQQ-CQSZACIVSA-N 1 0 322.399 4.083 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000740873529 1050634840 /nfs/dbraw/zinc/63/48/40/1050634840.db2.gz IPZCMMFDOLOIBU-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)CCCC(C)C)CC2 ZINC001170080748 1050635220 /nfs/dbraw/zinc/63/52/20/1050635220.db2.gz LURMEAGVVSETJD-QUCCMNQESA-N 1 0 320.521 4.234 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000593017764 1050635632 /nfs/dbraw/zinc/63/56/32/1050635632.db2.gz AKKQUWKGRLGRGE-GOSISDBHSA-N 1 0 321.380 4.097 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001171202402 1050635464 /nfs/dbraw/zinc/63/54/64/1050635464.db2.gz ZAEGVUUIRIYUKF-KPZWWZAWSA-N 1 0 312.363 4.045 20 30 DIEDRO CC[C@@H](OCC[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000593017884 1050635899 /nfs/dbraw/zinc/63/58/99/1050635899.db2.gz CTHKEPMYCAEVQY-OXJNMPFZSA-N 1 0 308.425 4.377 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1 ZINC000595503133 1050636531 /nfs/dbraw/zinc/63/65/31/1050636531.db2.gz QNQRGFYSTHQWMT-FQEVSTJZSA-N 1 0 303.409 4.126 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCOCc1ccccc1)c1ccccc1 ZINC000595503887 1050636886 /nfs/dbraw/zinc/63/68/86/1050636886.db2.gz XWLHRCKCVPBZEF-FQEVSTJZSA-N 1 0 308.425 4.228 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000845927017 1050637117 /nfs/dbraw/zinc/63/71/17/1050637117.db2.gz WEXDBVHZIJIRSV-UXLLHSPISA-N 1 0 314.429 4.039 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000845941317 1050637374 /nfs/dbraw/zinc/63/73/74/1050637374.db2.gz LEPUJVUBTLNNEX-RDHHWEPZSA-N 1 0 322.493 4.157 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000595503896 1050637563 /nfs/dbraw/zinc/63/75/63/1050637563.db2.gz YGXRPBHMBJSVLN-OALUTQOASA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1ccc2cccc(C[NH2+][C@H](C)Cc3cccc(C#N)c3)c2n1 ZINC001171202258 1050637550 /nfs/dbraw/zinc/63/75/50/1050637550.db2.gz AIVOVAJVVBDMSO-MRXNPFEDSA-N 1 0 315.420 4.136 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cnc2ccccc2n1)c1ccccc1 ZINC000595503462 1050637714 /nfs/dbraw/zinc/63/77/14/1050637714.db2.gz WADYWCQUSKIURK-SFHVURJKSA-N 1 0 316.408 4.155 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1nsc2ccccc21 ZINC000595550359 1050643446 /nfs/dbraw/zinc/64/34/46/1050643446.db2.gz PNZFWGOQAIIBJO-AWEZNQCLSA-N 1 0 321.449 4.403 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001171204438 1050644809 /nfs/dbraw/zinc/64/48/09/1050644809.db2.gz XWJOYYKOLNMKOS-MGPUTAFESA-N 1 0 308.400 4.465 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623880 1050651487 /nfs/dbraw/zinc/65/14/87/1050651487.db2.gz XPPJEXVHMAGNPM-GOSISDBHSA-N 1 0 324.472 4.141 20 30 DIEDRO N#CC1(CCC[NH2+][C@@H]2CCCC23CCCCC3)CCOCC1 ZINC000595605625 1050654903 /nfs/dbraw/zinc/65/49/03/1050654903.db2.gz RIAWWUUFGCAAEQ-QGZVFWFLSA-N 1 0 304.478 4.180 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000595615803 1050657692 /nfs/dbraw/zinc/65/76/92/1050657692.db2.gz UCMMZPZIACERFH-QGZVFWFLSA-N 1 0 308.425 4.234 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1F ZINC000595689910 1050660930 /nfs/dbraw/zinc/66/09/30/1050660930.db2.gz FPENMTOZLWVAIM-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO CCCCC[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846113860 1050666728 /nfs/dbraw/zinc/66/67/28/1050666728.db2.gz BESZPHDKZAIPAZ-QGZVFWFLSA-N 1 0 313.489 4.081 20 30 DIEDRO C#CC[N@H+](Cc1cccc2cc[nH]c21)[C@@H]1CCc2ccccc21 ZINC001144717427 1050668531 /nfs/dbraw/zinc/66/85/31/1050668531.db2.gz QTJZUSYTYRAIBJ-HXUWFJFHSA-N 1 0 300.405 4.291 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)cc1F ZINC000595750383 1050668882 /nfs/dbraw/zinc/66/88/82/1050668882.db2.gz BCJQMOHGEODEGM-IBGZPJMESA-N 1 0 324.399 4.237 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846171256 1050680447 /nfs/dbraw/zinc/68/04/47/1050680447.db2.gz FMCXMFXFLRWOQN-DOTOQJQBSA-N 1 0 311.425 4.239 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1O ZINC000846172322 1050682300 /nfs/dbraw/zinc/68/23/00/1050682300.db2.gz LEWUXMNEHSQJPQ-FZKQIMNGSA-N 1 0 322.408 4.001 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc2ccccc2c(Cl)n1 ZINC000788467972 1050685350 /nfs/dbraw/zinc/68/53/50/1050685350.db2.gz CBXISSPSEXOYIH-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO CC[N@@H+]1CCC(N=Nc2ccnc3cc(Cl)ccc23)[C@H](C)C1 ZINC000741451812 1050686060 /nfs/dbraw/zinc/68/60/60/1050686060.db2.gz PEVAJJHWWVOYHA-GFCCVEGCSA-N 1 0 316.836 4.018 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC2(CO)CCC2)cc1 ZINC000846209135 1050686030 /nfs/dbraw/zinc/68/60/30/1050686030.db2.gz ATUGBKZRXPLAFP-HNNXBMFYSA-N 1 0 323.864 4.021 20 30 DIEDRO C[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc(C#N)cc1F ZINC000846214701 1050694484 /nfs/dbraw/zinc/69/44/84/1050694484.db2.gz MCWHWYCMJYSZBA-CMPLNLGQSA-N 1 0 315.219 4.322 20 30 DIEDRO C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc(C#N)c(F)c1 ZINC000846215182 1050696610 /nfs/dbraw/zinc/69/66/10/1050696610.db2.gz MTFBVIPTSCGEIU-ZWNOBZJWSA-N 1 0 315.219 4.322 20 30 DIEDRO CCCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000741592234 1050711260 /nfs/dbraw/zinc/71/12/60/1050711260.db2.gz XVGCXIJCLVZOQZ-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001171220649 1050712293 /nfs/dbraw/zinc/71/22/93/1050712293.db2.gz DCAZCJCZUSSBPH-LAUBAEHRSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001171224027 1050713878 /nfs/dbraw/zinc/71/38/78/1050713878.db2.gz OTBKZBXPIXUAEX-DNVCBOLYSA-N 1 0 308.400 4.118 20 30 DIEDRO C=CCCCCCCCCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001144798391 1050715799 /nfs/dbraw/zinc/71/57/99/1050715799.db2.gz NMYBGFLOKCFRLT-GOSISDBHSA-N 1 0 308.510 4.141 20 30 DIEDRO C=CCCCCCCCCC(=O)N1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001144797689 1050717214 /nfs/dbraw/zinc/71/72/14/1050717214.db2.gz IWIOKAHDALIOCF-OALUTQOASA-N 1 0 320.521 4.093 20 30 DIEDRO CC[C@H]([NH2+][C@H](C(C)C)[C@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000788621237 1050717979 /nfs/dbraw/zinc/71/79/79/1050717979.db2.gz LEQSGJFDHBMZTN-PWRODBHTSA-N 1 0 322.452 4.357 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001171223506 1050718125 /nfs/dbraw/zinc/71/81/25/1050718125.db2.gz MZIHIKDHVRCTNW-UZLBHIALSA-N 1 0 322.477 4.279 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229023 1050722240 /nfs/dbraw/zinc/72/22/40/1050722240.db2.gz KGZGDKUGHOSFIE-HRAATJIYSA-N 1 0 304.437 4.499 20 30 DIEDRO CC[N@H+](CCc1ccc(OC)cc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171231529 1050726777 /nfs/dbraw/zinc/72/67/77/1050726777.db2.gz KIJKACXLLUXXSI-KRWDZBQOSA-N 1 0 322.452 4.062 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001171232951 1050727618 /nfs/dbraw/zinc/72/76/18/1050727618.db2.gz XUDIKKHKRSMZFU-INIZCTEOSA-N 1 0 320.436 4.074 20 30 DIEDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000741677124 1050727975 /nfs/dbraw/zinc/72/79/75/1050727975.db2.gz SYPCSNNWWTWPHQ-UHFFFAOYSA-N 1 0 307.441 4.036 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000788694008 1050727959 /nfs/dbraw/zinc/72/79/59/1050727959.db2.gz TWTJQTPJQBZYLT-GHMZBOCLSA-N 1 0 315.230 4.379 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCSc2ccccc2C1 ZINC001171230331 1050728367 /nfs/dbraw/zinc/72/83/67/1050728367.db2.gz UUUNKKSRUBCUIU-HNNXBMFYSA-N 1 0 308.450 4.097 20 30 DIEDRO CCCCCCCC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000772948708 1050737656 /nfs/dbraw/zinc/73/76/56/1050737656.db2.gz JYIJHXRVSWPIFI-OAHLLOKOSA-N 1 0 302.462 4.217 20 30 DIEDRO C[C@@H]1CCCCN1c1cccc(NCc2ccc(C#N)c(F)c2)[nH+]1 ZINC001170091149 1050761891 /nfs/dbraw/zinc/76/18/91/1050761891.db2.gz XOYSUXRLKWHBRG-CQSZACIVSA-N 1 0 324.403 4.083 20 30 DIEDRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H](C)C#N ZINC000597081459 1050805811 /nfs/dbraw/zinc/80/58/11/1050805811.db2.gz AGPAJVYNZVXBDN-NXEZZACHSA-N 1 0 304.743 4.039 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1 ZINC000788973522 1050767867 /nfs/dbraw/zinc/76/78/67/1050767867.db2.gz TXWGSDPOZRMKQF-ZDUSSCGKSA-N 1 0 302.805 4.151 20 30 DIEDRO CCC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772957572 1050773997 /nfs/dbraw/zinc/77/39/97/1050773997.db2.gz AEVKGJFYLZJMGR-FQEVSTJZSA-N 1 0 322.452 4.480 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(C#N)cc1 ZINC000788978057 1050778607 /nfs/dbraw/zinc/77/86/07/1050778607.db2.gz NURKVNMGMCVLKX-LJQANCHMSA-N 1 0 306.409 4.079 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C)cc32)cc1 ZINC000772958526 1050786299 /nfs/dbraw/zinc/78/62/99/1050786299.db2.gz HDPOQHUJSOHEHV-IIBYNOLFSA-N 1 0 305.421 4.345 20 30 DIEDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000772958446 1050790738 /nfs/dbraw/zinc/79/07/38/1050790738.db2.gz GYKHIOROEGTMNM-MGPUTAFESA-N 1 0 306.409 4.236 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cc3ccncc3s2)C2CC2)cc1 ZINC000596980261 1050791160 /nfs/dbraw/zinc/79/11/60/1050791160.db2.gz YGNPVRGNVYAUJS-UHFFFAOYSA-N 1 0 319.433 4.333 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@@H](C)C1CCCCC1 ZINC000772958975 1050805384 /nfs/dbraw/zinc/80/53/84/1050805384.db2.gz JNBNJZSMHOWCQY-HZPDHXFCSA-N 1 0 300.446 4.283 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000772960266 1050807915 /nfs/dbraw/zinc/80/79/15/1050807915.db2.gz OUBIRWHTKKGTAN-XOBRGWDASA-N 1 0 309.384 4.176 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000772958779 1050808293 /nfs/dbraw/zinc/80/82/93/1050808293.db2.gz HUZKRIAKCORENI-RLFYNMQTSA-N 1 0 300.446 4.454 20 30 DIEDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116966 1050808566 /nfs/dbraw/zinc/80/85/66/1050808566.db2.gz STIOZBLODIYRAN-WFASDCNBSA-N 1 0 308.347 4.014 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCC=C(c4ccco4)C3)cc2)CC1 ZINC000597131091 1050812978 /nfs/dbraw/zinc/81/29/78/1050812978.db2.gz VOZMHYOMHBDYGH-UHFFFAOYSA-N 1 0 304.393 4.124 20 30 DIEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000597152954 1050813619 /nfs/dbraw/zinc/81/36/19/1050813619.db2.gz FBPUYUDAGVVCGC-HNNXBMFYSA-N 1 0 322.374 4.406 20 30 DIEDRO N#CCC1C[NH+](Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000597194148 1050817839 /nfs/dbraw/zinc/81/78/39/1050817839.db2.gz PCMSZJRBBGRPAQ-UHFFFAOYSA-N 1 0 302.830 4.414 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000597178135 1050819997 /nfs/dbraw/zinc/81/99/97/1050819997.db2.gz VVEXDMZWIWXDCM-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO C[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)c1cccc(Br)c1 ZINC000597176261 1050820683 /nfs/dbraw/zinc/82/06/83/1050820683.db2.gz GXTJABRHYHDTFB-ZIAGYGMSSA-N 1 0 321.262 4.178 20 30 DIEDRO CCCCCCC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000789359177 1050820814 /nfs/dbraw/zinc/82/08/14/1050820814.db2.gz XCFFAZMSZKXHMB-UHFFFAOYSA-N 1 0 303.494 4.369 20 30 DIEDRO COc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1C#N ZINC000742366616 1050821478 /nfs/dbraw/zinc/82/14/78/1050821478.db2.gz LUJGAGZJQKOMDA-UHFFFAOYSA-N 1 0 320.436 4.168 20 30 DIEDRO C#CC[C@@H]([NH2+]CC[C@H](C)OCc1ccccc1)c1ccccc1 ZINC000789361265 1050821784 /nfs/dbraw/zinc/82/17/84/1050821784.db2.gz GFZUCXFPTXMJPY-GHTZIAJQSA-N 1 0 307.437 4.336 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000597178479 1050822373 /nfs/dbraw/zinc/82/23/73/1050822373.db2.gz YDZSEYLEOGZBGM-CYBMUJFWSA-N 1 0 315.417 4.075 20 30 DIEDRO COc1ccc(C[NH2+]CCC(C)(C)c2ccccc2)cc1C#N ZINC000742367686 1050823468 /nfs/dbraw/zinc/82/34/68/1050823468.db2.gz FXZFWDYBYZSKCL-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO COc1ccc2cc(C[NH2+]Cc3cc(C#N)ccc3F)ccc2c1 ZINC000742381882 1050825980 /nfs/dbraw/zinc/82/59/80/1050825980.db2.gz QFJHPAMGXJPKPC-UHFFFAOYSA-N 1 0 320.367 4.149 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC[C@H](SC)C2)ccc1OC ZINC000742383573 1050827049 /nfs/dbraw/zinc/82/70/49/1050827049.db2.gz QJOUPTHKMXUQDC-HOTGVXAUSA-N 1 0 321.486 4.024 20 30 DIEDRO C#CCCC[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000742383048 1050827450 /nfs/dbraw/zinc/82/74/50/1050827450.db2.gz RXXJIHWCTPXJID-UHFFFAOYSA-N 1 0 307.437 4.201 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc(C#N)cc1F ZINC000593322060 1050831971 /nfs/dbraw/zinc/83/19/71/1050831971.db2.gz LIHSPLOZRPHJEK-RHSMWYFYSA-N 1 0 323.415 4.165 20 30 DIEDRO COc1ccc(C[NH2+]CCCCCc2ccccc2)cc1C#N ZINC000742369804 1050832716 /nfs/dbraw/zinc/83/27/16/1050832716.db2.gz UURSKZGUVNCXMT-UHFFFAOYSA-N 1 0 308.425 4.069 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000742370327 1050833230 /nfs/dbraw/zinc/83/32/30/1050833230.db2.gz LHSGNNBGGCZSLB-RHSMWYFYSA-N 1 0 303.446 4.101 20 30 DIEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000789450239 1050834249 /nfs/dbraw/zinc/83/42/49/1050834249.db2.gz LCAWYMNWFUHTCF-RDBSUJKOSA-N 1 0 306.837 4.109 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1cccc(C#N)c1 ZINC000593320217 1050834834 /nfs/dbraw/zinc/83/48/34/1050834834.db2.gz AWNRPUUTZINRGA-DNVCBOLYSA-N 1 0 305.425 4.026 20 30 DIEDRO C=C(C)C[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000302751721 1050853642 /nfs/dbraw/zinc/85/36/42/1050853642.db2.gz MALFHIMTDLGMSM-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC2CCC2)ccc1OC ZINC000772979755 1050854851 /nfs/dbraw/zinc/85/48/51/1050854851.db2.gz MBXZUZRWWOVNQP-WMLDXEAASA-N 1 0 316.445 4.044 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1(C)C ZINC001170116500 1050875907 /nfs/dbraw/zinc/87/59/07/1050875907.db2.gz GHHYKIIBIZWUNV-JCGIZDLHSA-N 1 0 300.446 4.193 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccco1 ZINC000789744319 1050882257 /nfs/dbraw/zinc/88/22/57/1050882257.db2.gz SEQONPWFPPKHIK-IEBWSBKVSA-N 1 0 311.425 4.390 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000772982261 1050893714 /nfs/dbraw/zinc/89/37/14/1050893714.db2.gz BIRWRVDMJLXFAJ-GBESFXJTSA-N 1 0 312.457 4.426 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000772982265 1050894374 /nfs/dbraw/zinc/89/43/74/1050894374.db2.gz BIRWRVDMJLXFAJ-IPMKNSEASA-N 1 0 312.457 4.426 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000790056619 1050908669 /nfs/dbraw/zinc/90/86/69/1050908669.db2.gz WJIYKTZNRDAQQG-OALUTQOASA-N 1 0 320.436 4.187 20 30 DIEDRO C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000790498076 1050965314 /nfs/dbraw/zinc/96/53/14/1050965314.db2.gz XCTZDEQRDUQJFO-IAGOWNOFSA-N 1 0 316.445 4.253 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743257950 1051001726 /nfs/dbraw/zinc/00/17/26/1051001726.db2.gz JTAHBFGFTZMHKF-GOSISDBHSA-N 1 0 301.455 4.087 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(C)cc1 ZINC000743258425 1051002431 /nfs/dbraw/zinc/00/24/31/1051002431.db2.gz SGKRMFQYKFHPCM-MRXNPFEDSA-N 1 0 321.873 4.432 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000348206044 1051005578 /nfs/dbraw/zinc/00/55/78/1051005578.db2.gz KNRSMSDIOVQISP-HNNXBMFYSA-N 1 0 306.837 4.473 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000773014792 1051019405 /nfs/dbraw/zinc/01/94/05/1051019405.db2.gz LIWBGDYMZCPNHP-RISCZKNCSA-N 1 0 302.245 4.361 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000773030131 1051030100 /nfs/dbraw/zinc/03/01/00/1051030100.db2.gz KXGMPYQGGQQCCJ-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO C#CCCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000773040119 1051036066 /nfs/dbraw/zinc/03/60/66/1051036066.db2.gz JRYSWGFVBURFLD-OAHLLOKOSA-N 1 0 322.246 4.056 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2cccc(C#N)c2)c(O)c1 ZINC000743501067 1051036302 /nfs/dbraw/zinc/03/63/02/1051036302.db2.gz CACIKFNOFKPDBH-WXUSHSQQSA-N 1 0 321.424 4.290 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1Cl ZINC000743484361 1051039004 /nfs/dbraw/zinc/03/90/04/1051039004.db2.gz NZVAPNSTZKOPQD-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773058456 1051044508 /nfs/dbraw/zinc/04/45/08/1051044508.db2.gz HUDPLZHVGUDGDC-INIZCTEOSA-N 1 0 320.452 4.059 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(CCO)CCC2)cc1 ZINC000773071386 1051049562 /nfs/dbraw/zinc/04/95/62/1051049562.db2.gz ULVGZQBGTWDZNV-OAHLLOKOSA-N 1 0 323.864 4.021 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000773105664 1051063461 /nfs/dbraw/zinc/06/34/61/1051063461.db2.gz IKMPZJNHPKRJQU-MAUKXSAKSA-N 1 0 308.381 4.318 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000773103983 1051063423 /nfs/dbraw/zinc/06/34/23/1051063423.db2.gz CXRLRDWGZVVIOD-SFHVURJKSA-N 1 0 316.489 4.310 20 30 DIEDRO C#CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000773108267 1051064762 /nfs/dbraw/zinc/06/47/62/1051064762.db2.gz VFSPKDXFZNBZKW-COPCDDAFSA-N 1 0 324.512 4.384 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000773108225 1051065574 /nfs/dbraw/zinc/06/55/74/1051065574.db2.gz UFHPPRLTGFUZBK-LPHOPBHVSA-N 1 0 322.408 4.270 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000773115164 1051065838 /nfs/dbraw/zinc/06/58/38/1051065838.db2.gz MOBGTRBWHGOWNQ-COPCDDAFSA-N 1 0 318.464 4.176 20 30 DIEDRO C#CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000773117780 1051066902 /nfs/dbraw/zinc/06/69/02/1051066902.db2.gz WVMZKPATOVLGSS-OAQYLSRUSA-N 1 0 310.485 4.138 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000743849915 1051074940 /nfs/dbraw/zinc/07/49/40/1051074940.db2.gz AZRDWUSUKGUVHK-CZUORRHYSA-N 1 0 304.821 4.007 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc2cccnc21 ZINC001171390117 1051076371 /nfs/dbraw/zinc/07/63/71/1051076371.db2.gz IAZSOCCZRKRVIL-OAHLLOKOSA-N 1 0 301.393 4.299 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1N(C)C ZINC001171400101 1051086829 /nfs/dbraw/zinc/08/68/29/1051086829.db2.gz RCZHZMKPZSDNFW-MRXNPFEDSA-N 1 0 307.441 4.126 20 30 DIEDRO C(#Cc1ccccc1)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000792210483 1051128196 /nfs/dbraw/zinc/12/81/96/1051128196.db2.gz LNCOEDGTAREFPH-UHFFFAOYSA-N 1 0 314.432 4.399 20 30 DIEDRO C#CC[N@@H+](Cc1cc(-c2ccc(OC)cc2)no1)C1CCCCC1 ZINC000744213844 1051131990 /nfs/dbraw/zinc/13/19/90/1051131990.db2.gz NLYQHBIQLNLNCA-UHFFFAOYSA-N 1 0 324.424 4.118 20 30 DIEDRO COc1c(C)cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1Cl ZINC000796695843 1051134086 /nfs/dbraw/zinc/13/40/86/1051134086.db2.gz PQPDOVSZRBYHNK-CYBMUJFWSA-N 1 0 314.816 4.380 20 30 DIEDRO CCCC1CCC([N@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC000792466658 1051138666 /nfs/dbraw/zinc/13/86/66/1051138666.db2.gz DMRCCEAREWIIBW-UHFFFAOYSA-N 1 0 300.446 4.380 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC001171571716 1051170374 /nfs/dbraw/zinc/17/03/74/1051170374.db2.gz AECJZTVVOITEAL-GFCCVEGCSA-N 1 0 318.214 4.041 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170306272 1051177035 /nfs/dbraw/zinc/17/70/35/1051177035.db2.gz UCVZMSBSPAJNCT-AWEZNQCLSA-N 1 0 308.422 4.094 20 30 DIEDRO C[C@@H](CC#N)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171648712 1051181838 /nfs/dbraw/zinc/18/18/38/1051181838.db2.gz XWNXUKANHZXLTO-YGONEPDPSA-N 1 0 321.262 4.367 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001170359809 1051189167 /nfs/dbraw/zinc/18/91/67/1051189167.db2.gz HASDIKKQONTJMQ-BJMVHTGZSA-N 1 0 300.421 4.118 20 30 DIEDRO Cc1ccnc([C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170359422 1051190065 /nfs/dbraw/zinc/19/00/65/1051190065.db2.gz WZQVWJPEZLAILD-FQVISZRSSA-N 1 0 319.452 4.445 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[C@@H](F)CC2)CC1 ZINC001170360188 1051190109 /nfs/dbraw/zinc/19/01/09/1051190109.db2.gz QGBBUUDHBACODY-LPOKXYRGSA-N 1 0 300.421 4.261 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001170389450 1051195041 /nfs/dbraw/zinc/19/50/41/1051195041.db2.gz SUZJXZNPVUPNTG-KLAILNCOSA-N 1 0 322.374 4.275 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001170389434 1051195120 /nfs/dbraw/zinc/19/51/20/1051195120.db2.gz SHQXNWSTRCTTDH-DAWZGUTISA-N 1 0 316.395 4.122 20 30 DIEDRO Cc1ncccc1C[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397420 1051197800 /nfs/dbraw/zinc/19/78/00/1051197800.db2.gz BNUCSKCYRFABEY-UHFFFAOYSA-N 1 0 319.452 4.226 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@@H](F)C2)CC1 ZINC001170379430 1051199356 /nfs/dbraw/zinc/19/93/56/1051199356.db2.gz YBNBBDNAFBDVDO-LMDPOFIKSA-N 1 0 300.421 4.215 20 30 DIEDRO C[C@]1(F)CCC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378642 1051200156 /nfs/dbraw/zinc/20/01/56/1051200156.db2.gz HGLAUEVNYBIROY-XBMUEBEBSA-N 1 0 300.421 4.215 20 30 DIEDRO CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCCOC1 ZINC001171730256 1051201643 /nfs/dbraw/zinc/20/16/43/1051201643.db2.gz SPZDTSLTUWHLPS-FQEVSTJZSA-N 1 0 320.436 4.226 20 30 DIEDRO C=CC[N@@H+](C)[C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171824028 1051218437 /nfs/dbraw/zinc/21/84/37/1051218437.db2.gz LQYAUGZPFYGBCE-ZSHCYNCHSA-N 1 0 310.482 4.061 20 30 DIEDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)cc1 ZINC001171786318 1051220631 /nfs/dbraw/zinc/22/06/31/1051220631.db2.gz SMCNAEKWJQOYKS-FQEVSTJZSA-N 1 0 320.436 4.164 20 30 DIEDRO C=C(C)C[NH2+][C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171813532 1051227805 /nfs/dbraw/zinc/22/78/05/1051227805.db2.gz CSEABQHUDUKWOY-MUJYYYPQSA-N 1 0 310.482 4.109 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC001171841325 1051230041 /nfs/dbraw/zinc/23/00/41/1051230041.db2.gz MVSPNQLVVYGMHY-CYBMUJFWSA-N 1 0 318.367 4.408 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nn1 ZINC001171921043 1051234941 /nfs/dbraw/zinc/23/49/41/1051234941.db2.gz QSUOHZSJMKJPAJ-QFBILLFUSA-N 1 0 323.440 4.493 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001171920744 1051240237 /nfs/dbraw/zinc/24/02/37/1051240237.db2.gz MLOHSUDNTBAFTD-DZGCQCFKSA-N 1 0 308.809 4.473 20 30 DIEDRO CC1(C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@@H]1c1ccccc1 ZINC000766330569 1051250379 /nfs/dbraw/zinc/25/03/79/1051250379.db2.gz VABPRXLAAMZZLJ-IEBWSBKVSA-N 1 0 308.400 4.369 20 30 DIEDRO CCCCN(CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988906 1051256486 /nfs/dbraw/zinc/25/64/86/1051256486.db2.gz XBODNFYBBDTCKN-LJQANCHMSA-N 1 0 313.489 4.055 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC001171973012 1051266055 /nfs/dbraw/zinc/26/60/55/1051266055.db2.gz DUMGXZGSVCEABX-ZDUSSCGKSA-N 1 0 310.363 4.262 20 30 DIEDRO CCCN(CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985142 1051271349 /nfs/dbraw/zinc/27/13/49/1051271349.db2.gz RXZFZKITBDCTHM-LJQANCHMSA-N 1 0 313.489 4.055 20 30 DIEDRO C=CCN(CC=C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075535 1051278945 /nfs/dbraw/zinc/27/89/45/1051278945.db2.gz RNOJXJPLHNAHGV-AERCQKQUSA-N 1 0 310.485 4.246 20 30 DIEDRO Cc1ccc(C[NH+]2CCCCC2)cc1NCC#Cc1ccccc1 ZINC001170429587 1051280761 /nfs/dbraw/zinc/28/07/61/1051280761.db2.gz PQOJKMHRAVMFDM-UHFFFAOYSA-N 1 0 318.464 4.445 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793331002 1051284071 /nfs/dbraw/zinc/28/40/71/1051284071.db2.gz RGRCHQYUORDKHI-CVEARBPZSA-N 1 0 322.493 4.134 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1C#N ZINC000793351151 1051291906 /nfs/dbraw/zinc/29/19/06/1051291906.db2.gz GIHNSFADHIDLKH-VQIMIIECSA-N 1 0 324.399 4.132 20 30 DIEDRO N#Cc1cc(Nc2cccc(C[NH+]3CCCCC3)c2F)cs1 ZINC001215676936 1051295324 /nfs/dbraw/zinc/29/53/24/1051295324.db2.gz JIBJFONNQKCPRW-UHFFFAOYSA-N 1 0 315.417 4.488 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000793520809 1051306826 /nfs/dbraw/zinc/30/68/26/1051306826.db2.gz JOEKHKFAQONULA-SFHVURJKSA-N 1 0 315.505 4.161 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000793521768 1051307797 /nfs/dbraw/zinc/30/77/97/1051307797.db2.gz LZYMSSDKCBXYLH-GOSISDBHSA-N 1 0 315.505 4.161 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000793522185 1051308120 /nfs/dbraw/zinc/30/81/20/1051308120.db2.gz ALOIEQOCSHUEEA-GOSISDBHSA-N 1 0 316.489 4.138 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1cnc(OC)c(Cl)c1)c1ccncc1 ZINC000793542952 1051314187 /nfs/dbraw/zinc/31/41/87/1051314187.db2.gz SGPMELSMZTVURR-WBMJQRKESA-N 1 0 317.820 4.107 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000793543631 1051315118 /nfs/dbraw/zinc/31/51/18/1051315118.db2.gz VWCHUYJEPISMGR-UONOGXRCSA-N 1 0 301.434 4.444 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CSc3ccccc3C2)ccc1Cl ZINC001172201983 1051316562 /nfs/dbraw/zinc/31/65/62/1051316562.db2.gz PVMKTAUEMAZPCY-HNNXBMFYSA-N 1 0 314.841 4.018 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000793556346 1051318814 /nfs/dbraw/zinc/31/88/14/1051318814.db2.gz XBVXPDUVTLEYNM-KKXNLOMOSA-N 1 0 316.489 4.326 20 30 DIEDRO Cc1ccnc(C#N)c1Nc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001215711285 1051319469 /nfs/dbraw/zinc/31/94/69/1051319469.db2.gz LBHBEUQQFVGRSY-UHFFFAOYSA-N 1 0 324.403 4.130 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000793530198 1051321615 /nfs/dbraw/zinc/32/16/15/1051321615.db2.gz DMBGDMLLOXHQMF-IEBWSBKVSA-N 1 0 320.521 4.282 20 30 DIEDRO N#Cc1ccc(OCCC[N@H+](CCc2ccccc2)C2CC2)cc1 ZINC000746119179 1051323672 /nfs/dbraw/zinc/32/36/72/1051323672.db2.gz QLBPKHZJQGLAFB-UHFFFAOYSA-N 1 0 320.436 4.034 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2ccc(C#N)s2)c1 ZINC001215725856 1051325408 /nfs/dbraw/zinc/32/54/08/1051325408.db2.gz OOGHFROMQLYTKX-UHFFFAOYSA-N 1 0 303.406 4.344 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2ccc(C#N)c(F)c2)c1 ZINC001215726803 1051326194 /nfs/dbraw/zinc/32/61/94/1051326194.db2.gz LYCYGHNVZAPJIX-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2ccc(C#N)c(C#N)c2)c1 ZINC001215726866 1051326642 /nfs/dbraw/zinc/32/66/42/1051326642.db2.gz OFEKNNFDLUHXHQ-UHFFFAOYSA-N 1 0 322.387 4.154 20 30 DIEDRO CCCCCCCCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000746152801 1051329231 /nfs/dbraw/zinc/32/92/31/1051329231.db2.gz RPMLJFBQEPTFMO-UHFFFAOYSA-N 1 0 310.526 4.316 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCSCc1ccccc1 ZINC001172303192 1051333205 /nfs/dbraw/zinc/33/32/05/1051333205.db2.gz VXMKITDJVRDOGS-INIZCTEOSA-N 1 0 310.466 4.012 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172306827 1051333370 /nfs/dbraw/zinc/33/33/70/1051333370.db2.gz LIRTXUGJMCPEDC-OXJNMPFZSA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001172306684 1051333429 /nfs/dbraw/zinc/33/34/29/1051333429.db2.gz KYEGLDIRPVJTNV-UWJYYQICSA-N 1 0 304.437 4.054 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccccc2Cl)CC1 ZINC001172303152 1051333751 /nfs/dbraw/zinc/33/37/51/1051333751.db2.gz VTFWLXFIELXGAS-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2cccs2)CC1 ZINC001172305841 1051333815 /nfs/dbraw/zinc/33/38/15/1051333815.db2.gz GLZWNRCTJBKMSG-OAHLLOKOSA-N 1 0 310.466 4.430 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001172305994 1051334335 /nfs/dbraw/zinc/33/43/35/1051334335.db2.gz HNYJYUIKRPQRHJ-LAUBAEHRSA-N 1 0 304.437 4.369 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311380 1051335142 /nfs/dbraw/zinc/33/51/42/1051335142.db2.gz SCSUUZKWJSHYMQ-MRXNPFEDSA-N 1 0 308.425 4.020 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172309640 1051335242 /nfs/dbraw/zinc/33/52/42/1051335242.db2.gz AZBYEJRWJZWBBH-HRAATJIYSA-N 1 0 304.437 4.499 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001172311201 1051335437 /nfs/dbraw/zinc/33/54/37/1051335437.db2.gz QTSZLYGSYMYRJG-LZQZEXGQSA-N 1 0 302.421 4.076 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001172309220 1051335609 /nfs/dbraw/zinc/33/56/09/1051335609.db2.gz SHHZXIOJDGSMBK-UPRAQXHNSA-N 1 0 310.828 4.288 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172307972 1051335800 /nfs/dbraw/zinc/33/58/00/1051335800.db2.gz RSUHBKQURUXOAS-IERDGZPVSA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001172309802 1051335829 /nfs/dbraw/zinc/33/58/29/1051335829.db2.gz CAGUTABPSOOVCW-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC001172311388 1051336027 /nfs/dbraw/zinc/33/60/27/1051336027.db2.gz SFGQHWAMNYWPCE-QGZVFWFLSA-N 1 0 302.421 4.279 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC001172311387 1051336089 /nfs/dbraw/zinc/33/60/89/1051336089.db2.gz SFGQHWAMNYWPCE-KRWDZBQOSA-N 1 0 302.421 4.279 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001172311148 1051336168 /nfs/dbraw/zinc/33/61/68/1051336168.db2.gz QAFISAGNQCCRPM-YJBOKZPZSA-N 1 0 300.421 4.093 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172307971 1051336433 /nfs/dbraw/zinc/33/64/33/1051336433.db2.gz RSUHBKQURUXOAS-HRAATJIYSA-N 1 0 320.436 4.335 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311815 1051337148 /nfs/dbraw/zinc/33/71/48/1051337148.db2.gz YYEDWXNTHSKBHR-IRXDYDNUSA-N 1 0 322.452 4.061 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311813 1051337178 /nfs/dbraw/zinc/33/71/78/1051337178.db2.gz YYEDWXNTHSKBHR-DLBZAZTESA-N 1 0 322.452 4.061 20 30 DIEDRO CC[N@H+](CCc1ccc(OC)cc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172312979 1051338050 /nfs/dbraw/zinc/33/80/50/1051338050.db2.gz NCIHMTPOSQOYFQ-QGZVFWFLSA-N 1 0 322.452 4.062 20 30 DIEDRO COc1ccc(Nc2ccc(C[NH2+]CC(C)C)cc2)c(C#N)c1 ZINC001215745018 1051339478 /nfs/dbraw/zinc/33/94/78/1051339478.db2.gz FDQCFGFMPGAJOZ-UHFFFAOYSA-N 1 0 309.413 4.056 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172319523 1051340128 /nfs/dbraw/zinc/34/01/28/1051340128.db2.gz NUEFQXBQGCMXLQ-HZPDHXFCSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001172319556 1051340710 /nfs/dbraw/zinc/34/07/10/1051340710.db2.gz OQWGMHNYNCFVGA-BEFAXECRSA-N 1 0 308.400 4.118 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2c(C#N)ccc(F)c2F)cc1 ZINC001215746799 1051340960 /nfs/dbraw/zinc/34/09/60/1051340960.db2.gz SZUPWDQIRWTEFI-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001172292493 1051346871 /nfs/dbraw/zinc/34/68/71/1051346871.db2.gz PJTCBFMNZLDUKI-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001172289243 1051347028 /nfs/dbraw/zinc/34/70/28/1051347028.db2.gz ALXCCJSDNVIJLB-CYBMUJFWSA-N 1 0 300.352 4.217 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001172289757 1051347341 /nfs/dbraw/zinc/34/73/41/1051347341.db2.gz HNMQEEKWKILYOB-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO Cc1c(C)n([C@@H](C)Cc2ccc(C#N)cc2)c2ccc(C[NH3+])cc12 ZINC001172291065 1051347678 /nfs/dbraw/zinc/34/76/78/1051347678.db2.gz VVPBZQKYDUZMTI-AWEZNQCLSA-N 1 0 317.436 4.392 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001172290728 1051347915 /nfs/dbraw/zinc/34/79/15/1051347915.db2.gz FEWLOJREMRTRHD-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO Cc1cc2cc(C[NH3+])ccc2n1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172292811 1051348727 /nfs/dbraw/zinc/34/87/27/1051348727.db2.gz RBKBZSPRPPXCCN-AWEZNQCLSA-N 1 0 303.409 4.084 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001172296107 1051348777 /nfs/dbraw/zinc/34/87/77/1051348777.db2.gz WQWAPHPWMMEGBB-OLZOCXBDSA-N 1 0 300.352 4.118 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172294926 1051349291 /nfs/dbraw/zinc/34/92/91/1051349291.db2.gz NVOMWTONILKHAF-QGZVFWFLSA-N 1 0 322.452 4.458 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC001172296899 1051349308 /nfs/dbraw/zinc/34/93/08/1051349308.db2.gz KAQQRCHHIGYGDY-FOIQADDNSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1C(F)(F)F ZINC001172293162 1051350078 /nfs/dbraw/zinc/35/00/78/1051350078.db2.gz SJGZWVIYMZTFKM-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc2ccccc2s1 ZINC001172295036 1051350208 /nfs/dbraw/zinc/35/02/08/1051350208.db2.gz OZZRTGOMBBSUOY-CQSZACIVSA-N 1 0 306.434 4.494 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC001172298327 1051350869 /nfs/dbraw/zinc/35/08/69/1051350869.db2.gz WOWHUHJOPMCKCD-IIBYNOLFSA-N 1 0 317.436 4.348 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)NC(=[NH2+])c1cccc2ccccc21 ZINC001172298019 1051350984 /nfs/dbraw/zinc/35/09/84/1051350984.db2.gz SYYYBGOFJCWDRO-HNNXBMFYSA-N 1 0 313.404 4.258 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC001172298607 1051351121 /nfs/dbraw/zinc/35/11/21/1051351121.db2.gz YZYGLWHTZJCDKM-MGPUTAFESA-N 1 0 308.425 4.239 20 30 DIEDRO CC(C)C[C@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)c1ccccn1 ZINC001172297592 1051351158 /nfs/dbraw/zinc/35/11/58/1051351158.db2.gz QCSZEGKEAKICIP-UZLBHIALSA-N 1 0 307.441 4.261 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC001172300060 1051353310 /nfs/dbraw/zinc/35/33/10/1051353310.db2.gz RMYNWUSYKIQSOP-OAHLLOKOSA-N 1 0 308.400 4.297 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1cccc(F)c1F ZINC001172300185 1051353371 /nfs/dbraw/zinc/35/33/71/1051353371.db2.gz SOGUNWIHURDRJL-CHWSQXEVSA-N 1 0 300.352 4.118 20 30 DIEDRO CC[C@@H](C)OCC[C@H](C)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001172344764 1051364422 /nfs/dbraw/zinc/36/44/22/1051364422.db2.gz ZWENXIXEFUIKAA-DLBZAZTESA-N 1 0 314.473 4.331 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(CC2CCOCC2)C1 ZINC001172349560 1051366597 /nfs/dbraw/zinc/36/65/97/1051366597.db2.gz FHOBRVIODVLOCT-VQTJNVASSA-N 1 0 324.553 4.216 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172349549 1051366957 /nfs/dbraw/zinc/36/69/57/1051366957.db2.gz FFXSRFZELIFPHL-OAHLLOKOSA-N 1 0 307.434 4.009 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1cccc(OC2COC2)n1 ZINC001172350537 1051367693 /nfs/dbraw/zinc/36/76/93/1051367693.db2.gz OOOFZGMTMBSQRI-MRXNPFEDSA-N 1 0 320.477 4.088 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H](CC(=O)OC)c1ccccn1 ZINC001172351783 1051368955 /nfs/dbraw/zinc/36/89/55/1051368955.db2.gz VIPAELPREHJIBS-AEFFLSMTSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001172355516 1051370017 /nfs/dbraw/zinc/37/00/17/1051370017.db2.gz BYJFAUZHXIOGIU-MRXNPFEDSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@@H](CC)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001172355590 1051370988 /nfs/dbraw/zinc/37/09/88/1051370988.db2.gz OZLDFGRPYAAUJW-HZPDHXFCSA-N 1 0 304.482 4.099 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001172357924 1051373012 /nfs/dbraw/zinc/37/30/12/1051373012.db2.gz NASJBLSORNEGPK-CABCVRRESA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCC[C@H](CC)[N@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001172359937 1051374268 /nfs/dbraw/zinc/37/42/68/1051374268.db2.gz GKAJFYGACZOBQU-OALUTQOASA-N 1 0 310.526 4.457 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001172362373 1051374486 /nfs/dbraw/zinc/37/44/86/1051374486.db2.gz WXWQPENTHUZWTR-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(N(CC)C(C)=O)CC1 ZINC001172360059 1051374648 /nfs/dbraw/zinc/37/46/48/1051374648.db2.gz IQUOZFPEDLAMRF-GOSISDBHSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172362112 1051375319 /nfs/dbraw/zinc/37/53/19/1051375319.db2.gz SNAONYMLODRANX-KZNAEPCWSA-N 1 0 308.510 4.068 20 30 DIEDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000766350678 1051397262 /nfs/dbraw/zinc/39/72/62/1051397262.db2.gz NXEIXCROLZISEY-HZPDHXFCSA-N 1 0 307.441 4.426 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](c1ccccc1)[C@H](N)c1ccccc1 ZINC001172479672 1051401692 /nfs/dbraw/zinc/40/16/92/1051401692.db2.gz JHSZTYABTFKZRM-NSISKUIASA-N 1 0 307.441 4.100 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001172477982 1051402188 /nfs/dbraw/zinc/40/21/88/1051402188.db2.gz AOQLONHWKNPBMI-QAPCUYQASA-N 1 0 319.880 4.149 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001172484564 1051403502 /nfs/dbraw/zinc/40/35/02/1051403502.db2.gz GOGZQMJZBUZUCK-KBXCAEBGSA-N 1 0 318.848 4.350 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC001172486273 1051403569 /nfs/dbraw/zinc/40/35/69/1051403569.db2.gz CQDLMZKWBGBXIZ-OAHLLOKOSA-N 1 0 320.864 4.060 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001172487075 1051405821 /nfs/dbraw/zinc/40/58/21/1051405821.db2.gz JJPQPFPVXVDDLM-BXUZGUMPSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](c1ccccc1)[C@@H](N)c1ccccc1 ZINC001172487785 1051416744 /nfs/dbraw/zinc/41/67/44/1051416744.db2.gz JHSZTYABTFKZRM-FFZOFVMBSA-N 1 0 307.441 4.100 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC001172488689 1051416969 /nfs/dbraw/zinc/41/69/69/1051416969.db2.gz NRJNPQLOSLLDKP-VDGAXYAQSA-N 1 0 308.425 4.133 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC001172491644 1051417813 /nfs/dbraw/zinc/41/78/13/1051417813.db2.gz HWPVAMKXOKEJGF-GFCCVEGCSA-N 1 0 303.406 4.121 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCN(Cc2ccc3ccccc3c2)CC1 ZINC001172497322 1051417929 /nfs/dbraw/zinc/41/79/29/1051417929.db2.gz ATEHXUMBWHAAAY-SFHVURJKSA-N 1 0 321.468 4.040 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](CC1CCOCC1)c1ccccc1 ZINC001172492337 1051418435 /nfs/dbraw/zinc/41/84/35/1051418435.db2.gz MMYVKWZUBTXYGL-QFBILLFUSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC001172494349 1051418931 /nfs/dbraw/zinc/41/89/31/1051418931.db2.gz ZGUWKYJMCUCOEE-CQSZACIVSA-N 1 0 306.837 4.018 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172502164 1051419960 /nfs/dbraw/zinc/41/99/60/1051419960.db2.gz ONYRUWSLOKDCDL-VQIMIIECSA-N 1 0 323.477 4.250 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001172501610 1051420041 /nfs/dbraw/zinc/42/00/41/1051420041.db2.gz DIFZFMKZQDONLB-ZWKOTPCHSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001172501355 1051420065 /nfs/dbraw/zinc/42/00/65/1051420065.db2.gz BZSXNTSIDNEJBR-INIZCTEOSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172501619 1051420370 /nfs/dbraw/zinc/42/03/70/1051420370.db2.gz DYTRGKVLPLFANM-QFBILLFUSA-N 1 0 323.477 4.250 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001172500957 1051420489 /nfs/dbraw/zinc/42/04/89/1051420489.db2.gz DEFBLLKUYUJYCD-GOSISDBHSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001172501889 1051421054 /nfs/dbraw/zinc/42/10/54/1051421054.db2.gz MFKZCSXOWJQCBZ-KRWDZBQOSA-N 1 0 308.510 4.260 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC001172504581 1051422273 /nfs/dbraw/zinc/42/22/73/1051422273.db2.gz HHNXZJMNKWPDCV-CQSZACIVSA-N 1 0 306.837 4.266 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001172504544 1051422542 /nfs/dbraw/zinc/42/25/42/1051422542.db2.gz GCIJDZHXAJXKAW-GOSISDBHSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1cc2n(n1)CCCO2 ZINC001172504866 1051422910 /nfs/dbraw/zinc/42/29/10/1051422910.db2.gz HWMBIGJOKWGDEV-MRXNPFEDSA-N 1 0 307.482 4.284 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001172503745 1051422760 /nfs/dbraw/zinc/42/27/60/1051422760.db2.gz AMJZDJZNJHWAEH-MSOLQXFVSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC001172503862 1051422834 /nfs/dbraw/zinc/42/28/34/1051422834.db2.gz TWAIPQPTXMVLJT-OALUTQOASA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001172505650 1051423967 /nfs/dbraw/zinc/42/39/67/1051423967.db2.gz RCELLYIUSZFABR-GOSISDBHSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](CCC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001172508272 1051424436 /nfs/dbraw/zinc/42/44/36/1051424436.db2.gz IFMIWZHIOGVODL-QGZVFWFLSA-N 1 0 317.477 4.020 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001172505643 1051424893 /nfs/dbraw/zinc/42/48/93/1051424893.db2.gz QYQHSSCCMRDCNB-RCCFBDPRSA-N 1 0 308.510 4.211 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]C1CCN(CCOC)CC1 ZINC001172508169 1051425322 /nfs/dbraw/zinc/42/53/22/1051425322.db2.gz GTBXYXBLZZVSME-GOSISDBHSA-N 1 0 312.542 4.216 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001172510349 1051426080 /nfs/dbraw/zinc/42/60/80/1051426080.db2.gz AFVLSVNOPBIHMV-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+][C@H]1CCN(C(=O)C2CC2)C1 ZINC001172509218 1051426909 /nfs/dbraw/zinc/42/69/09/1051426909.db2.gz UBLUGULMNWMTDJ-ROUUACIJSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001172512002 1051427875 /nfs/dbraw/zinc/42/78/75/1051427875.db2.gz XTVUUEMDZBDJBN-QZTJIDSGSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCOC2(CCOCC2)C1 ZINC001172511759 1051428086 /nfs/dbraw/zinc/42/80/86/1051428086.db2.gz WINLCPRAHOIPKG-SFHVURJKSA-N 1 0 311.510 4.397 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001172511101 1051428336 /nfs/dbraw/zinc/42/83/36/1051428336.db2.gz MXFGXEHXRCBUEG-MRXNPFEDSA-N 1 0 317.539 4.025 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000766450839 1051428491 /nfs/dbraw/zinc/42/84/91/1051428491.db2.gz LWKMCGZKJUJPGK-ZFWWWQNUSA-N 1 0 311.878 4.364 20 30 DIEDRO CCCCCCCCCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000804523626 1051436546 /nfs/dbraw/zinc/43/65/46/1051436546.db2.gz XDKWXZNQWWEMLP-QZTJIDSGSA-N 1 0 308.510 4.212 20 30 DIEDRO N#Cc1ccccc1OCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172560229 1051440900 /nfs/dbraw/zinc/44/09/00/1051440900.db2.gz OFDXCUYQBWENIK-QUCCMNQESA-N 1 0 320.436 4.253 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172562526 1051443384 /nfs/dbraw/zinc/44/33/84/1051443384.db2.gz FWFVIMWHWKRSGN-NQIIRXRSSA-N 1 0 302.421 4.253 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC001168849383 1051456156 /nfs/dbraw/zinc/45/61/56/1051456156.db2.gz ZJXDFXPERPFJPJ-GOSISDBHSA-N 1 0 305.510 4.425 20 30 DIEDRO CC(C)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001169063433 1051502425 /nfs/dbraw/zinc/50/24/25/1051502425.db2.gz YNKHIPGXWFALSM-LJQANCHMSA-N 1 0 310.416 4.444 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172790738 1051508297 /nfs/dbraw/zinc/50/82/97/1051508297.db2.gz DOGDCQKDGWRNKV-MOPGFXCFSA-N 1 0 315.457 4.187 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2ccc(C)cc2C1)c1cccc(C#N)c1 ZINC001172833512 1051520253 /nfs/dbraw/zinc/52/02/53/1051520253.db2.gz ZAEOAHKEPLTFMA-LEWJYISDSA-N 1 0 304.437 4.465 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCCCCS ZINC001172866502 1051526049 /nfs/dbraw/zinc/52/60/49/1051526049.db2.gz UBIHAWGZTFMXSK-LBPRGKRZSA-N 1 0 303.874 4.490 20 30 DIEDRO C=CCc1cc(C)cnc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169142280 1051532658 /nfs/dbraw/zinc/53/26/58/1051532658.db2.gz MGIKPOLWXWDPED-APWZRJJASA-N 1 0 301.478 4.074 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCCCCCS ZINC001172847000 1051534415 /nfs/dbraw/zinc/53/44/15/1051534415.db2.gz BNZSTQFAONIUFB-LBPRGKRZSA-N 1 0 303.874 4.490 20 30 DIEDRO CC1(C)C[C@H](Nc2ccc3c(ccnc3C#N)c2)C[C@](C)(C[NH3+])C1 ZINC001169153986 1051536602 /nfs/dbraw/zinc/53/66/02/1051536602.db2.gz VJKSLIOORXDUBT-JXFKEZNVSA-N 1 0 322.456 4.062 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cn2)cc1 ZINC000766606644 1051540276 /nfs/dbraw/zinc/54/02/76/1051540276.db2.gz FQZIEQSMPOJSEF-CYBMUJFWSA-N 1 0 320.795 4.203 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ncccc2OC)cc1 ZINC001169212006 1051550805 /nfs/dbraw/zinc/55/08/05/1051550805.db2.gz HEZXJLRPMWSXOD-IBGZPJMESA-N 1 0 323.440 4.025 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000177909240 1051554240 /nfs/dbraw/zinc/55/42/40/1051554240.db2.gz KHYBONCBIUSOJK-GFCCVEGCSA-N 1 0 313.272 4.294 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001172875371 1051558009 /nfs/dbraw/zinc/55/80/09/1051558009.db2.gz NOJDUVMVJCZTKQ-YDHLFZDLSA-N 1 0 308.878 4.493 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001172875369 1051558932 /nfs/dbraw/zinc/55/89/32/1051558932.db2.gz NOJDUVMVJCZTKQ-NFAWXSAZSA-N 1 0 308.878 4.493 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001172883418 1051565813 /nfs/dbraw/zinc/56/58/13/1051565813.db2.gz UNJGUTBVPOUDAV-KGLIPLIRSA-N 1 0 308.878 4.446 20 30 DIEDRO C#CCOc1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc1 ZINC001212691192 1051567969 /nfs/dbraw/zinc/56/79/69/1051567969.db2.gz CXNGXVATPUIPNI-UHFFFAOYSA-N 1 0 320.436 4.251 20 30 DIEDRO C=CCC[NH2+]C1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170471095 1051589585 /nfs/dbraw/zinc/58/95/85/1051589585.db2.gz QTECHRPACRJWOU-HOTGVXAUSA-N 1 0 310.482 4.109 20 30 DIEDRO C=CCCC[NH2+]C1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170472119 1051595696 /nfs/dbraw/zinc/59/56/96/1051595696.db2.gz XKIIJMCPYZTICW-IRXDYDNUSA-N 1 0 324.509 4.499 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC001169494580 1051629331 /nfs/dbraw/zinc/62/93/31/1051629331.db2.gz LYXREFOQKMOBPS-WQGACYEGSA-N 1 0 310.363 4.491 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2sc3ccccc3c2C#N)c1F ZINC001216220310 1051632119 /nfs/dbraw/zinc/63/21/19/1051632119.db2.gz MRNGCAKWNZLORU-UHFFFAOYSA-N 1 0 311.385 4.375 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(C#N)cc2Cl)c1F ZINC001216231284 1051639484 /nfs/dbraw/zinc/63/94/84/1051639484.db2.gz WNUWJWMOZRBYFU-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233319 1051641066 /nfs/dbraw/zinc/64/10/66/1051641066.db2.gz KXELSRKZHYIIEH-INIZCTEOSA-N 1 0 310.397 4.214 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)C1CCC(Oc2ccccc2)CC1 ZINC001173204485 1051643529 /nfs/dbraw/zinc/64/35/29/1051643529.db2.gz QTHOMYSFHHPMCJ-UHFFFAOYSA-N 1 0 320.436 4.380 20 30 DIEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001169570447 1051646657 /nfs/dbraw/zinc/64/66/57/1051646657.db2.gz WVIFTHUGZQCRPG-SWLSCSKDSA-N 1 0 322.399 4.464 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1(CC)CC ZINC001169570923 1051646754 /nfs/dbraw/zinc/64/67/54/1051646754.db2.gz ZPPXMFIOPIJVLC-ZWKOTPCHSA-N 1 0 319.876 4.265 20 30 DIEDRO CCc1ccc(C[C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CC2)cc1 ZINC001173244184 1051651423 /nfs/dbraw/zinc/65/14/23/1051651423.db2.gz NOUBJNWNGCBQGY-MRXNPFEDSA-N 1 0 304.437 4.331 20 30 DIEDRO C#C[C@@](C)(CC)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001169700733 1051679894 /nfs/dbraw/zinc/67/98/94/1051679894.db2.gz WSYLRMVZEBNRLP-NRFANRHFSA-N 1 0 304.437 4.416 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+]C[C@H]1CCN(C(C)=O)C1 ZINC001173310148 1051681229 /nfs/dbraw/zinc/68/12/29/1051681229.db2.gz QQIXVYRMICYCSE-MOPGFXCFSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@H](CCC)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001173310298 1051681728 /nfs/dbraw/zinc/68/17/28/1051681728.db2.gz SBHVLQSIKYCZPP-HNNXBMFYSA-N 1 0 307.486 4.337 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001173308464 1051681992 /nfs/dbraw/zinc/68/19/92/1051681992.db2.gz AHRXDOFLOYBPLF-QGZVFWFLSA-N 1 0 323.525 4.053 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC001173308323 1051682048 /nfs/dbraw/zinc/68/20/48/1051682048.db2.gz HFCBNZXQEUFXHI-UHFFFAOYSA-N 1 0 305.849 4.433 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001173310098 1051682357 /nfs/dbraw/zinc/68/23/57/1051682357.db2.gz PRDRZXFVIIHQGK-KRWDZBQOSA-N 1 0 324.509 4.480 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC001173311469 1051684014 /nfs/dbraw/zinc/68/40/14/1051684014.db2.gz JMQFGGYYFUWORQ-UHFFFAOYSA-N 1 0 303.446 4.077 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccc(OCCCC)cc2)CC1 ZINC001173312210 1051684330 /nfs/dbraw/zinc/68/43/30/1051684330.db2.gz CGDIAPYEAXHTMN-UHFFFAOYSA-N 1 0 317.473 4.469 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+][C@H](CO)[C@@H]1CCOC1 ZINC001173285676 1051687591 /nfs/dbraw/zinc/68/75/91/1051687591.db2.gz ZWKSBODZEPKPAN-CEXWTWQISA-N 1 0 313.526 4.283 20 30 DIEDRO CCCCCCCCC[C@H](CCC)n1cc(C[NH3+])cnc1=N ZINC001173284900 1051687982 /nfs/dbraw/zinc/68/79/82/1051687982.db2.gz KQOZQOMHLIMZCA-KRWDZBQOSA-N 1 0 306.498 4.303 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](C)COc2c(C)cccc2C)CC1 ZINC001173313816 1051688191 /nfs/dbraw/zinc/68/81/91/1051688191.db2.gz FIVVRYGSNIECRY-VIQWUECVSA-N 1 0 317.473 4.174 20 30 DIEDRO CCCCCCCCC[C@H](CCC)n1cncc1C[C@@H]([NH3+])CO ZINC001173285349 1051688698 /nfs/dbraw/zinc/68/86/98/1051688698.db2.gz SMQJCMMPEVMULE-MSOLQXFVSA-N 1 0 323.525 4.227 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+][C@H](CO)[C@H]1CCOC1 ZINC001173285678 1051688831 /nfs/dbraw/zinc/68/88/31/1051688831.db2.gz ZWKSBODZEPKPAN-GBESFXJTSA-N 1 0 313.526 4.283 20 30 DIEDRO CCCCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169775121 1051690004 /nfs/dbraw/zinc/69/00/04/1051690004.db2.gz KLRMOEBIIZTHDE-IBGZPJMESA-N 1 0 316.489 4.193 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC001173326120 1051692837 /nfs/dbraw/zinc/69/28/37/1051692837.db2.gz SNXWAQAQIJWFFA-UHFFFAOYSA-N 1 0 307.235 4.011 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001173325800 1051693016 /nfs/dbraw/zinc/69/30/16/1051693016.db2.gz OCXGKTJSNYUNPN-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173325069 1051693293 /nfs/dbraw/zinc/69/32/93/1051693293.db2.gz CGSUBLYNWZWYEW-UHFFFAOYSA-N 1 0 312.335 4.147 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2c2ccccc2OC)CC1 ZINC001173327922 1051694748 /nfs/dbraw/zinc/69/47/48/1051694748.db2.gz VUCANJZQJVFWFE-TVPLGVNVSA-N 1 0 315.457 4.346 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC001173330876 1051695227 /nfs/dbraw/zinc/69/52/27/1051695227.db2.gz WNXWUUKFUXUYSO-GQOXECLESA-N 1 0 312.457 4.216 20 30 DIEDRO C=CCOC1CCC([NH+]2CCC(c3cccs3)CC2)CC1 ZINC001173327044 1051695290 /nfs/dbraw/zinc/69/52/90/1051695290.db2.gz CDLBXLHCZKAOPD-UHFFFAOYSA-N 1 0 305.487 4.441 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC001173329993 1051695344 /nfs/dbraw/zinc/69/53/44/1051695344.db2.gz QZNYMKYYRDYTBF-NLPFYKDJSA-N 1 0 305.425 4.233 20 30 DIEDRO C=CCOC1CCC([N@H+](CC)Cc2cccc(OC)c2)CC1 ZINC001173326984 1051695685 /nfs/dbraw/zinc/69/56/85/1051695685.db2.gz YNDJDQQZYGJGMU-UHFFFAOYSA-N 1 0 303.446 4.031 20 30 DIEDRO N#CCC1CCC(n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001173328553 1051695847 /nfs/dbraw/zinc/69/58/47/1051695847.db2.gz FJSGNDKMMGRSTD-PCKAHOCUSA-N 1 0 307.441 4.102 20 30 DIEDRO N#CCC1CCC([NH2+]C2(Cc3ccccc3F)CCC2)CC1 ZINC001173332318 1051696774 /nfs/dbraw/zinc/69/67/74/1051696774.db2.gz KEBSQBJCDHMLTO-UHFFFAOYSA-N 1 0 300.421 4.353 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001173334468 1051696787 /nfs/dbraw/zinc/69/67/87/1051696787.db2.gz WYLRNASHNXKKMW-MKTAYPAQSA-N 1 0 303.837 4.248 20 30 DIEDRO COc1ccc(C[NH2+]C2CCC(CC#N)CC2)c2ccccc12 ZINC001173333754 1051697425 /nfs/dbraw/zinc/69/74/25/1051697425.db2.gz MIUJJZZCQSEACF-UHFFFAOYSA-N 1 0 308.425 4.410 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)C1CCC(CC#N)CC1 ZINC001173336791 1051697539 /nfs/dbraw/zinc/69/75/39/1051697539.db2.gz LUEHFVXGPFJUNE-KLHKWILBSA-N 1 0 300.446 4.030 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC001173335737 1051697555 /nfs/dbraw/zinc/69/75/55/1051697555.db2.gz WXHIGMADAMSOKL-UHFFFAOYSA-N 1 0 316.420 4.141 20 30 DIEDRO N#CCC1CCC([NH2+][C@H](c2ncccc2Cl)C2CC2)CC1 ZINC001173334883 1051697704 /nfs/dbraw/zinc/69/77/04/1051697704.db2.gz ZPTMCCLKGGWKRF-PXCJXSSVSA-N 1 0 303.837 4.248 20 30 DIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC(C)(C)CC#N)cc1 ZINC000805919732 1051698968 /nfs/dbraw/zinc/69/89/68/1051698968.db2.gz DXCKHWPKMVCWPC-UHFFFAOYSA-N 1 0 316.445 4.015 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001173340061 1051699289 /nfs/dbraw/zinc/69/92/89/1051699289.db2.gz YJZIBMNCYDJUQD-UHFFFAOYSA-N 1 0 307.441 4.210 20 30 DIEDRO N#CCC1CCC([N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001173338351 1051699411 /nfs/dbraw/zinc/69/94/11/1051699411.db2.gz DSGQXVPEQNMCCU-VJFUWPCTSA-N 1 0 300.471 4.249 20 30 DIEDRO CC[N@H+](Cc1ccc(C(=O)OCC(C)(C)CC#N)cc1)C(C)C ZINC000805920803 1051700731 /nfs/dbraw/zinc/70/07/31/1051700731.db2.gz OXSOEWKRSSHOSW-UHFFFAOYSA-N 1 0 316.445 4.014 20 30 DIEDRO C=CC[N@@H+](C)[C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170492027 1051701139 /nfs/dbraw/zinc/70/11/39/1051701139.db2.gz LQYAUGZPFYGBCE-MUJYYYPQSA-N 1 0 310.482 4.061 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001173314704 1051708068 /nfs/dbraw/zinc/70/80/68/1051708068.db2.gz UJXSBTJUUCKRDS-FOIPXRHGSA-N 1 0 305.849 4.299 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC001173315387 1051709844 /nfs/dbraw/zinc/70/98/44/1051709844.db2.gz MFMYKROVVUIZCB-GZNCHQMQSA-N 1 0 322.452 4.274 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843665 1051710889 /nfs/dbraw/zinc/71/08/89/1051710889.db2.gz HFHUVXRNBIQWQG-HOTGVXAUSA-N 1 0 309.400 4.065 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](CC)c2ccc(OC)cc2)CC1 ZINC001173318433 1051710958 /nfs/dbraw/zinc/71/09/58/1051710958.db2.gz UNCUYTRCYAGKTK-NKELODKYSA-N 1 0 303.446 4.250 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001173315916 1051711194 /nfs/dbraw/zinc/71/11/94/1051711194.db2.gz SOERMYNIIAQKRD-LEOMRAHMSA-N 1 0 305.849 4.431 20 30 DIEDRO C=CCOC1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC001173316960 1051711565 /nfs/dbraw/zinc/71/15/65/1051711565.db2.gz PTRPABOPAULPHZ-UHFFFAOYSA-N 1 0 311.828 4.125 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)Cc2ccccc2C)CC1 ZINC001173318794 1051711582 /nfs/dbraw/zinc/71/15/82/1051711582.db2.gz MEVZLTPHWUVNTP-UHFFFAOYSA-N 1 0 301.474 4.420 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001173320057 1051712835 /nfs/dbraw/zinc/71/28/35/1051712835.db2.gz GIRGMASSQNJNES-LYBXBRPPSA-N 1 0 315.457 4.346 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(CC)CCC(F)(F)CC2)CC1 ZINC001173319121 1051713446 /nfs/dbraw/zinc/71/34/46/1051713446.db2.gz YXMSNSLABPRJNS-UHFFFAOYSA-N 1 0 301.421 4.448 20 30 DIEDRO C=CC[C@@H]1[N@H+](CC(=O)N(C)CC2CCCCC2)CCCC1(C)C ZINC001169845890 1051715020 /nfs/dbraw/zinc/71/50/20/1051715020.db2.gz YBQIBASAHKYARJ-SFHVURJKSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCc2cncs2)cc1 ZINC001169867913 1051720291 /nfs/dbraw/zinc/72/02/91/1051720291.db2.gz HKYYGYJCFDWLAK-SFHVURJKSA-N 1 0 313.470 4.121 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001173584716 1051753150 /nfs/dbraw/zinc/75/31/50/1051753150.db2.gz IAMGXSRBAUUJBE-UHFFFAOYSA-N 1 0 311.473 4.239 20 30 DIEDRO Cc1cc(C)n(-c2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)n1 ZINC001173586472 1051753266 /nfs/dbraw/zinc/75/32/66/1051753266.db2.gz SHBBLQLQGACDSV-UHFFFAOYSA-N 1 0 322.456 4.051 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC001173584762 1051753993 /nfs/dbraw/zinc/75/39/93/1051753993.db2.gz KNIAQMXULQHPLE-UHFFFAOYSA-N 1 0 311.454 4.372 20 30 DIEDRO N#Cc1cccc(Nc2cc[nH+]cc2Oc2ccccc2)c1F ZINC001216412608 1051754040 /nfs/dbraw/zinc/75/40/40/1051754040.db2.gz IVXXBFCDBZWTDU-UHFFFAOYSA-N 1 0 305.312 4.050 20 30 DIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(C3CCC(C)(C#N)CC3)c2c1 ZINC001173591160 1051754834 /nfs/dbraw/zinc/75/48/34/1051754834.db2.gz UWNSWPQRYWFTID-XRTORIHISA-N 1 0 309.457 4.484 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](CCO)c2cccc3ccccc32)CC1 ZINC001173588327 1051754882 /nfs/dbraw/zinc/75/48/82/1051754882.db2.gz BFGGMNPJHGHLSX-SGDIKTSBSA-N 1 0 322.452 4.325 20 30 DIEDRO CC1(C#N)CCC([NH2+]C2(Cc3ccccc3F)CCC2)CC1 ZINC001173591525 1051754934 /nfs/dbraw/zinc/75/49/34/1051754934.db2.gz TUSBUDXSWXQZHG-UHFFFAOYSA-N 1 0 300.421 4.353 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC001173589259 1051755414 /nfs/dbraw/zinc/75/54/14/1051755414.db2.gz YYWRFQWXEFMKOZ-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001173590802 1051755704 /nfs/dbraw/zinc/75/57/04/1051755704.db2.gz NRLAWPFOXKIXES-ADKAHSJRSA-N 1 0 302.849 4.259 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001173588508 1051756205 /nfs/dbraw/zinc/75/62/05/1051756205.db2.gz FXKQCCWBJPWYDM-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(Cc3cccc(F)c3)CC2)CC1 ZINC001173591326 1051756360 /nfs/dbraw/zinc/75/63/60/1051756360.db2.gz OPEOSRPLMSHRCM-UHFFFAOYSA-N 1 0 300.421 4.210 20 30 DIEDRO Cc1cccc(OC2CC[NH+](C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173597752 1051756656 /nfs/dbraw/zinc/75/66/56/1051756656.db2.gz HXINGMZWLXRFJJ-UHFFFAOYSA-N 1 0 312.457 4.311 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173597746 1051757822 /nfs/dbraw/zinc/75/78/22/1051757822.db2.gz HSHYESZTIRCDDM-LSJNQWAISA-N 1 0 300.446 4.030 20 30 DIEDRO C[N@H+](Cc1ncccc1C(F)(F)F)C1CCC(C)(C#N)CC1 ZINC001173592903 1051757851 /nfs/dbraw/zinc/75/78/51/1051757851.db2.gz CMLNOCSYWGWZRF-UHFFFAOYSA-N 1 0 311.351 4.005 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001173599899 1051757956 /nfs/dbraw/zinc/75/79/56/1051757956.db2.gz SCBJMKMYXHOHNV-IIIMJFFVSA-N 1 0 315.486 4.111 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000806167857 1051767199 /nfs/dbraw/zinc/76/71/99/1051767199.db2.gz NDFGITVXWGTHQL-CVEARBPZSA-N 1 0 320.437 4.001 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000806167675 1051767862 /nfs/dbraw/zinc/76/78/62/1051767862.db2.gz DQWGUJHREAKOJC-KRWDZBQOSA-N 1 0 301.409 4.364 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000806167761 1051769170 /nfs/dbraw/zinc/76/91/70/1051769170.db2.gz IUOJZFHZDMITIJ-LJQANCHMSA-N 1 0 315.436 4.375 20 30 DIEDRO C=CCCCC[N@@H+](C)C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173681688 1051771577 /nfs/dbraw/zinc/77/15/77/1051771577.db2.gz JXSXSYWNAPUNNV-HZPDHXFCSA-N 1 0 324.509 4.451 20 30 DIEDRO C=C(C)C[N@@H+](CC)C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173682201 1051773093 /nfs/dbraw/zinc/77/30/93/1051773093.db2.gz RRVYRMQIWYUQPP-HUUCEWRRSA-N 1 0 310.482 4.061 20 30 DIEDRO Cc1c([C@H](C)[NH2+]CC(C)(C)CCC#N)cnn1-c1ccccc1 ZINC000806178753 1051773487 /nfs/dbraw/zinc/77/34/87/1051773487.db2.gz XWIVQVQGZUIGFA-HNNXBMFYSA-N 1 0 310.445 4.161 20 30 DIEDRO C[C@@H](CC#N)[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173701542 1051782580 /nfs/dbraw/zinc/78/25/80/1051782580.db2.gz AZKAOVGJAHMFRF-OXJNMPFZSA-N 1 0 320.436 4.015 20 30 DIEDRO C#CC(C)(C)[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173700301 1051782652 /nfs/dbraw/zinc/78/26/52/1051782652.db2.gz HFAYQINMOIDJLH-HXUWFJFHSA-N 1 0 319.448 4.124 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000185778519 1051783034 /nfs/dbraw/zinc/78/30/34/1051783034.db2.gz NZJSCRMZYONYGW-WBVHZDCISA-N 1 0 316.445 4.046 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1OC(F)F ZINC000185775394 1051783178 /nfs/dbraw/zinc/78/31/78/1051783178.db2.gz MCPNROYXYSMZPE-GUTXKFCHSA-N 1 0 308.372 4.411 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173690718 1051783196 /nfs/dbraw/zinc/78/31/96/1051783196.db2.gz ZFOAKCTYPUUBCJ-FQVISZRSSA-N 1 0 308.469 4.439 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCC[C@H](C#N)C3)c(C)c2c1 ZINC000185818379 1051786427 /nfs/dbraw/zinc/78/64/27/1051786427.db2.gz MRRYDJDYHSRDCG-SOUVJXGZSA-N 1 0 312.413 4.483 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)C1(c2ccccc2)CCCC1 ZINC000185953110 1051790592 /nfs/dbraw/zinc/79/05/92/1051790592.db2.gz HXZIHRVWLKPBNG-INIZCTEOSA-N 1 0 302.487 4.123 20 30 DIEDRO C=CC[NH+](CC=C)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173789802 1051803061 /nfs/dbraw/zinc/80/30/61/1051803061.db2.gz SACJPEODVWADPS-UHFFFAOYSA-N 1 0 313.441 4.312 20 30 DIEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000186363276 1051811310 /nfs/dbraw/zinc/81/13/10/1051811310.db2.gz MXYLODINRRUIKF-OALUTQOASA-N 1 0 314.473 4.171 20 30 DIEDRO CCc1cc(C#N)ccc1Nc1c[nH+]cn1Cc1ccccc1 ZINC001216553589 1051814891 /nfs/dbraw/zinc/81/48/91/1051814891.db2.gz HZZFMZAVKUGFNB-UHFFFAOYSA-N 1 0 302.381 4.109 20 30 DIEDRO N#Cc1c(Cl)cccc1Nc1c[nH+]cn1Cc1ccccc1 ZINC001216553862 1051816390 /nfs/dbraw/zinc/81/63/90/1051816390.db2.gz VVTMGGGTPWWATP-UHFFFAOYSA-N 1 0 308.772 4.200 20 30 DIEDRO CCCCCCC[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000806681968 1051842147 /nfs/dbraw/zinc/84/21/47/1051842147.db2.gz RQTXZAHQCSUCSD-UHFFFAOYSA-N 1 0 301.434 4.145 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877885 1051858578 /nfs/dbraw/zinc/85/85/78/1051858578.db2.gz QBXYEPIOEVNQKH-AWEZNQCLSA-N 1 0 310.363 4.435 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877894 1051859331 /nfs/dbraw/zinc/85/93/31/1051859331.db2.gz QBXYEPIOEVNQKH-CQSZACIVSA-N 1 0 310.363 4.435 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCC(C)(C)C2)c1 ZINC000767919781 1051862702 /nfs/dbraw/zinc/86/27/02/1051862702.db2.gz BXGKHEXHHFOQEM-IRXDYDNUSA-N 1 0 300.446 4.426 20 30 DIEDRO N#Cc1ccc(OCC[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000609195414 1051882774 /nfs/dbraw/zinc/88/27/74/1051882774.db2.gz KNRVAQPAKCTRDJ-FQEVSTJZSA-N 1 0 306.409 4.068 20 30 DIEDRO CC(C)(C)[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000768140322 1051890218 /nfs/dbraw/zinc/89/02/18/1051890218.db2.gz ZAGGCXYMPFSNDA-UHFFFAOYSA-N 1 0 318.424 4.007 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000404826259 1051891473 /nfs/dbraw/zinc/89/14/73/1051891473.db2.gz GIYCGTCABLIJOU-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000768209005 1051896168 /nfs/dbraw/zinc/89/61/68/1051896168.db2.gz WVTAFVSMNWCJOA-UHFFFAOYSA-N 1 0 313.470 4.098 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000768194834 1051899931 /nfs/dbraw/zinc/89/99/31/1051899931.db2.gz GDYQJESDNMDORH-HOTGVXAUSA-N 1 0 306.409 4.097 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cncc(F)c2)cc1 ZINC000494481275 1051900947 /nfs/dbraw/zinc/90/09/47/1051900947.db2.gz FIMDNGQUZZLBQM-UHFFFAOYSA-N 1 0 317.367 4.049 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)Cc2ccccc21 ZINC000768197354 1051902613 /nfs/dbraw/zinc/90/26/13/1051902613.db2.gz VKLGBCXUYKEWIR-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494497644 1051904391 /nfs/dbraw/zinc/90/43/91/1051904391.db2.gz RZDHCCSMSAWDJV-QWRGUYRKSA-N 1 0 316.323 4.304 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494497643 1051905633 /nfs/dbraw/zinc/90/56/33/1051905633.db2.gz RZDHCCSMSAWDJV-MNOVXSKESA-N 1 0 316.323 4.304 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2cc(Cl)ccc2O)C2CC2)cc1 ZINC000768258186 1051908827 /nfs/dbraw/zinc/90/88/27/1051908827.db2.gz SONHTBNOPPXMHS-UHFFFAOYSA-N 1 0 312.800 4.082 20 30 DIEDRO C#CCCOc1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000768252305 1051910221 /nfs/dbraw/zinc/91/02/21/1051910221.db2.gz JDKXTASFEIRNRV-UHFFFAOYSA-N 1 0 311.450 4.315 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000768264022 1051913149 /nfs/dbraw/zinc/91/31/49/1051913149.db2.gz YVJARTBPPYFOEQ-HNNXBMFYSA-N 1 0 316.408 4.141 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000768274413 1051914640 /nfs/dbraw/zinc/91/46/40/1051914640.db2.gz GBPALFGRWWNOMZ-KBXCAEBGSA-N 1 0 311.450 4.488 20 30 DIEDRO CC[N@H+](Cc1ccc2c(c1)COC2)[C@H](C)c1ccc(C#N)cc1 ZINC000768514878 1051943291 /nfs/dbraw/zinc/94/32/91/1051943291.db2.gz YKFNWWYFDWHKAB-OAHLLOKOSA-N 1 0 306.409 4.172 20 30 DIEDRO CCCCCCCCCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000768841509 1051972186 /nfs/dbraw/zinc/97/21/86/1051972186.db2.gz JWMCPJXLQDWZQN-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191562952 1051976734 /nfs/dbraw/zinc/97/67/34/1051976734.db2.gz HPRXISNMFSBOSZ-HIFRSBDPSA-N 1 0 315.417 4.141 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000768957270 1051989301 /nfs/dbraw/zinc/98/93/01/1051989301.db2.gz QVHSXVTZCNVKAA-ZWKOTPCHSA-N 1 0 308.510 4.070 20 30 DIEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769106680 1051996474 /nfs/dbraw/zinc/99/64/74/1051996474.db2.gz VZMKVJMLYZWGQL-OAQYLSRUSA-N 1 0 321.420 4.131 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000192160459 1052001212 /nfs/dbraw/zinc/00/12/12/1052001212.db2.gz ZQULBFNFIKWGML-SFHVURJKSA-N 1 0 312.416 4.451 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000192161021 1052001713 /nfs/dbraw/zinc/00/17/13/1052001713.db2.gz YZTHFUMGZMVNBA-SFHVURJKSA-N 1 0 312.416 4.451 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@H](C)c2ccccc2)cc1 ZINC000769319106 1052023278 /nfs/dbraw/zinc/02/32/78/1052023278.db2.gz PDVJLBYJNALZRB-DLBZAZTESA-N 1 0 308.425 4.213 20 30 DIEDRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000769341460 1052027991 /nfs/dbraw/zinc/02/79/91/1052027991.db2.gz ZWCBKBPTECHRJO-JYJNAYRXSA-N 1 0 300.446 4.376 20 30 DIEDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000769426904 1052048612 /nfs/dbraw/zinc/04/86/12/1052048612.db2.gz KDQDGHPEPKVAIT-WMZOPIPTSA-N 1 0 300.446 4.236 20 30 DIEDRO CC(C)[N@H+](CCCC(C)(C)C#N)Cc1ccc(N(C)C)cc1 ZINC000747524737 1052076035 /nfs/dbraw/zinc/07/60/35/1052076035.db2.gz PLJLJYARYFGTSH-UHFFFAOYSA-N 1 0 301.478 4.293 20 30 DIEDRO N#Cc1cc(Cl)c(Nc2ccc3[nH+]ccn3c2)c(Cl)c1 ZINC001174276725 1052086490 /nfs/dbraw/zinc/08/64/90/1052086490.db2.gz LIVWEBJNIUOKKR-UHFFFAOYSA-N 1 0 303.152 4.256 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000769878029 1052126595 /nfs/dbraw/zinc/12/65/95/1052126595.db2.gz ZFUNAAPOOCHLAA-FQEVSTJZSA-N 1 0 318.420 4.050 20 30 DIEDRO C[C@H]1CC[NH2+]CC[C@@H]1OCc1ccc(-c2ccccc2C#N)cc1 ZINC001217779817 1052140937 /nfs/dbraw/zinc/14/09/37/1052140937.db2.gz DIANFFPDXJNGDK-KKSFZXQISA-N 1 0 320.436 4.130 20 30 DIEDRO C[C@@H]1CC[NH2+]CC[C@@H]1OCc1ccc(-c2ccccc2C#N)cc1 ZINC001217779810 1052141708 /nfs/dbraw/zinc/14/17/08/1052141708.db2.gz DIANFFPDXJNGDK-IERDGZPVSA-N 1 0 320.436 4.130 20 30 DIEDRO C[C@H](O/C(=N/c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC001217779050 1052141926 /nfs/dbraw/zinc/14/19/26/1052141926.db2.gz QQHHQKAUJSJFQW-JDAKFOBDSA-N 1 0 308.425 4.170 20 30 DIEDRO c1ccc(/N=C(/O[C@H]2CCC[C@@]23CC[NH2+]C3)c2ccccc2)cc1 ZINC001217804497 1052146582 /nfs/dbraw/zinc/14/65/82/1052146582.db2.gz XZOYBIPEDMUCGB-HJJINEBHSA-N 1 0 320.436 4.314 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc4occc4c3)sc2C1 ZINC001174419742 1052149848 /nfs/dbraw/zinc/14/98/48/1052149848.db2.gz UADJTCRWULKMPN-UHFFFAOYSA-N 1 0 309.394 4.097 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1OC(Cl)(c1ccccc1)c1ccccc1 ZINC001217833769 1052151162 /nfs/dbraw/zinc/15/11/62/1052151162.db2.gz ZSDVKFXWJINBOJ-GOSISDBHSA-N 1 0 313.828 4.061 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1OCCC(c1ccccc1)c1ccccc1 ZINC001217833006 1052151572 /nfs/dbraw/zinc/15/15/72/1052151572.db2.gz RWYPWFIZMXFNNN-OAQYLSRUSA-N 1 0 307.437 4.143 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1OCc1ccc(Sc2ccccc2)cc1 ZINC001217831540 1052151807 /nfs/dbraw/zinc/15/18/07/1052151807.db2.gz HTQKXMYWALEWIZ-IBGZPJMESA-N 1 0 311.450 4.273 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](C(C)(C)OCCCCC2CC[NH2+]CC2)O1 ZINC001217870347 1052158038 /nfs/dbraw/zinc/15/80/38/1052158038.db2.gz SNKIPOOGKZICNN-PKOBYXMFSA-N 1 0 309.494 4.075 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](C(C)(C)OCCCCC2CC[NH2+]CC2)O1 ZINC001217870341 1052158437 /nfs/dbraw/zinc/15/84/37/1052158437.db2.gz SNKIPOOGKZICNN-HKUYNNGSSA-N 1 0 309.494 4.075 20 30 DIEDRO C=CC[C@@H](OCC[C@@H]([NH3+])c1ccc(OC)cc1)c1ccccc1 ZINC001217877186 1052160998 /nfs/dbraw/zinc/16/09/98/1052160998.db2.gz YZJFPNMUFHRAFN-WOJBJXKFSA-N 1 0 311.425 4.419 20 30 DIEDRO c1ccc(/N=C(/O[C@H]2CC[NH2+]C3(CCC3)C2)c2ccccc2)cc1 ZINC001217876084 1052161583 /nfs/dbraw/zinc/16/15/83/1052161583.db2.gz ZHCSVRSQZDCDIN-YFJJEWJYSA-N 1 0 320.436 4.456 20 30 DIEDRO C=C[C@@H](CCCCCCC)OC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217883856 1052162838 /nfs/dbraw/zinc/16/28/38/1052162838.db2.gz IXXIRQWWWOBUHJ-ROUUACIJSA-N 1 0 309.494 4.077 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)OCCCC1CC[NH2+]CC1 ZINC001217888656 1052164772 /nfs/dbraw/zinc/16/47/72/1052164772.db2.gz BPBHSRSSTHLPJP-MRXNPFEDSA-N 1 0 303.446 4.109 20 30 DIEDRO CCCCCCCC[C@@H](CC)OC[C@@H]1C[C@@H]2C[NH2+]CC[C@@H]2O1 ZINC001217897733 1052167350 /nfs/dbraw/zinc/16/73/50/1052167350.db2.gz RIGFRJZDAKGZOC-YRXWBPOGSA-N 1 0 311.510 4.299 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001168474064 1052171977 /nfs/dbraw/zinc/17/19/77/1052171977.db2.gz KLDCDISGKHYOLB-KRWDZBQOSA-N 1 0 322.427 4.314 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217927367 1052171969 /nfs/dbraw/zinc/17/19/69/1052171969.db2.gz RMWBZDWCQVAUHF-BPJALHBQSA-N 1 0 320.436 4.478 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCc1ccc(-c2ccc(C)cn2)cc1 ZINC001217926490 1052172013 /nfs/dbraw/zinc/17/20/13/1052172013.db2.gz HCAQPEIZSKUYIF-NHCUHLMSSA-N 1 0 322.452 4.270 20 30 DIEDRO C(#C[C@H](OCC[C@H]1CCC[NH2+]C1)c1ccccc1)c1ccccc1 ZINC001217929862 1052172433 /nfs/dbraw/zinc/17/24/33/1052172433.db2.gz ZCTCNMVVMRQCTQ-IRLDBZIGSA-N 1 0 319.448 4.186 20 30 DIEDRO [NH3+]CCCCCCO[C@H](C#Cc1ccccc1)c1ccccc1 ZINC001217926589 1052172623 /nfs/dbraw/zinc/17/26/23/1052172623.db2.gz BSKXNUSXBREXKR-OAQYLSRUSA-N 1 0 307.437 4.315 20 30 DIEDRO O=C(/C=C\c1ccc(O[C@@H]2CCCC[NH2+]C2)cc1)c1ccccc1 ZINC001217970420 1052177517 /nfs/dbraw/zinc/17/75/17/1052177517.db2.gz MYRXSUBYFQAYIM-ACQXMXPUSA-N 1 0 321.420 4.104 20 30 DIEDRO O=C(/C=C\c1ccccc1)c1ccc(O[C@H]2CCCC[NH2+]C2)cc1 ZINC001217970553 1052178464 /nfs/dbraw/zinc/17/84/64/1052178464.db2.gz NPEQZVBATSNOOH-VHNWJRSRSA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001217991731 1052182601 /nfs/dbraw/zinc/18/26/01/1052182601.db2.gz XNFLWEXQALOXAB-APWZRJJASA-N 1 0 308.425 4.204 20 30 DIEDRO O=C(/C=C\c1ccccc1)c1ccc(O[C@@H]2CCC[NH2+]CC2)cc1 ZINC001217994850 1052182717 /nfs/dbraw/zinc/18/27/17/1052182717.db2.gz CGJKKXJYWJQPFU-FSENSJEKSA-N 1 0 321.420 4.104 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2OC2CC3(C2)CC[NH2+]C3)cc1 ZINC001218062900 1052192485 /nfs/dbraw/zinc/19/24/85/1052192485.db2.gz DITAKNJULZSXQK-UHFFFAOYSA-N 1 0 324.399 4.097 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218094236 1052196395 /nfs/dbraw/zinc/19/63/95/1052196395.db2.gz MBYVKXFSYJSFHL-RTWAWAEBSA-N 1 0 320.436 4.348 20 30 DIEDRO C(=N/c1ccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)cc1)\c1ccccc1 ZINC001218096772 1052196613 /nfs/dbraw/zinc/19/66/13/1052196613.db2.gz SOOZPEXHZDRNDD-LBYVYJTISA-N 1 0 320.436 4.348 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@H]3CC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001218118458 1052198872 /nfs/dbraw/zinc/19/88/72/1052198872.db2.gz NSCBLBDJYVSBKW-UDJWRJMGSA-N 1 0 324.399 4.097 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)cc1 ZINC001218142096 1052201192 /nfs/dbraw/zinc/20/11/92/1052201192.db2.gz PRDAGYJFTOFUIZ-HLIPFELVSA-N 1 0 315.457 4.359 20 30 DIEDRO C(=N/c1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1)\c1ccccc1 ZINC001218145088 1052202085 /nfs/dbraw/zinc/20/20/85/1052202085.db2.gz INMUBRFQIQYSSI-VNEPSXMPSA-N 1 0 320.436 4.204 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001218185400 1052204134 /nfs/dbraw/zinc/20/41/34/1052204134.db2.gz BFTZWISJZBZMAL-BWTSREIZSA-N 1 0 324.399 4.238 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000495066905 1052206700 /nfs/dbraw/zinc/20/67/00/1052206700.db2.gz NMPDRZGRYLFTMI-HNAYVOBHSA-N 1 0 315.844 4.204 20 30 DIEDRO N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc2ccc3cccc4ccc1c2c34 ZINC001218201912 1052206812 /nfs/dbraw/zinc/20/68/12/1052206812.db2.gz WDFAVCRWJZVHSW-LPHOPBHVSA-N 1 0 312.372 4.074 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1Oc1cccc2ccc3c(C)cc(C)nc3c21 ZINC001218210880 1052208548 /nfs/dbraw/zinc/20/85/48/1052208548.db2.gz LRAYVPPQUMUDGD-IBGZPJMESA-N 1 0 318.420 4.302 20 30 DIEDRO C=C[C@H](CCCCC)Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218212070 1052208729 /nfs/dbraw/zinc/20/87/29/1052208729.db2.gz HRZALOJQFQQJRG-LJQANCHMSA-N 1 0 316.489 4.123 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2CCC3(C[NH2+]C3)C2)cc1 ZINC001218240000 1052211056 /nfs/dbraw/zinc/21/10/56/1052211056.db2.gz XZBFIDQOKGIYAM-GOSISDBHSA-N 1 0 324.399 4.097 20 30 DIEDRO CCCCCCCOc1ccc(OC2CC3(CC[NH2+]3)C2)cc1 ZINC001218248845 1052211315 /nfs/dbraw/zinc/21/13/15/1052211315.db2.gz MECKBBFJTYKFIT-UHFFFAOYSA-N 1 0 303.446 4.309 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@H]2CCC23C[NH2+]C3)cc1 ZINC001218242586 1052211571 /nfs/dbraw/zinc/21/15/71/1052211571.db2.gz SCDOHLVNRKCQEU-IBGZPJMESA-N 1 0 315.457 4.361 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)cc2)cc1 ZINC001218251192 1052213505 /nfs/dbraw/zinc/21/35/05/1052213505.db2.gz RANGJUZFPMXDMQ-UAURUMSGSA-N 1 0 324.399 4.096 20 30 DIEDRO F[C@@H]1[C@H]2CC[C@@H](C[C@@H]1Oc1ccccc1C=Nc1ccccc1)[NH2+]2 ZINC001218275742 1052216549 /nfs/dbraw/zinc/21/65/49/1052216549.db2.gz UCKRYUJIQBSXJY-KVPLUYHFSA-N 1 0 324.399 4.047 20 30 DIEDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001218311281 1052222815 /nfs/dbraw/zinc/22/28/15/1052222815.db2.gz IOLIQMNOKOIMPU-IBGZPJMESA-N 1 0 308.425 4.204 20 30 DIEDRO C=C[C@@H](CCCCCC)Oc1cccc([C@H]([NH3+])CC(=O)OC)c1 ZINC001218354555 1052229499 /nfs/dbraw/zinc/22/94/99/1052229499.db2.gz GOKHMVYRDAYHLC-FUHWJXTLSA-N 1 0 319.445 4.153 20 30 DIEDRO C=C[C@H](CCCCCC)Oc1cccc([C@H]([NH3+])CC(=O)OC)c1 ZINC001218354556 1052229658 /nfs/dbraw/zinc/22/96/58/1052229658.db2.gz GOKHMVYRDAYHLC-SJLPKXTDSA-N 1 0 319.445 4.153 20 30 DIEDRO C[C@H]1CC[C@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C[NH2+]1 ZINC001218405767 1052235773 /nfs/dbraw/zinc/23/57/73/1052235773.db2.gz MCHFWLWDQQDEMV-GGANCUKSSA-N 1 0 312.388 4.096 20 30 DIEDRO C[C@@H]1CC[C@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)C[NH2+]1 ZINC001218407944 1052236198 /nfs/dbraw/zinc/23/61/98/1052236198.db2.gz RVJKZFWFXLKELJ-ARELBEBLSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(Br)c1 ZINC000229674418 1052237982 /nfs/dbraw/zinc/23/79/82/1052237982.db2.gz IJPBRWPZKPZAKB-GFCCVEGCSA-N 1 0 309.251 4.430 20 30 DIEDRO C=CC[C@@H](CCCC)Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218437551 1052238304 /nfs/dbraw/zinc/23/83/04/1052238304.db2.gz CMHVCSRPUOWYIS-IBGZPJMESA-N 1 0 316.489 4.123 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Br)cc1 ZINC000229693313 1052239337 /nfs/dbraw/zinc/23/93/37/1052239337.db2.gz RAEVTFQYZHGCKQ-GFCCVEGCSA-N 1 0 309.251 4.430 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(OC(C)C)c(Cl)c1 ZINC001218457487 1052241400 /nfs/dbraw/zinc/24/14/00/1052241400.db2.gz PDNUPMJVZUVMKU-NVXWUHKLSA-N 1 0 309.837 4.203 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(Cl)cc(Cl)c1F ZINC001218461129 1052242348 /nfs/dbraw/zinc/24/23/48/1052242348.db2.gz ZPKXUIWPBWVJPN-VXGBXAGGSA-N 1 0 304.192 4.208 20 30 DIEDRO CC1(C)C[C@@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)CC[NH2+]1 ZINC001218468928 1052243621 /nfs/dbraw/zinc/24/36/21/1052243621.db2.gz GIQAPMJRTHQAAB-IBGZPJMESA-N 1 0 306.409 4.135 20 30 DIEDRO CC1(C)C[C@@H](Oc2ccc(-c3cccc(C#N)c3)cc2)CC[NH2+]1 ZINC001218478861 1052244781 /nfs/dbraw/zinc/24/47/81/1052244781.db2.gz PRFBLCRSKHNIPN-IBGZPJMESA-N 1 0 306.409 4.135 20 30 DIEDRO CC1(C)C[C@H](Oc2ccccc2C=NNc2ccccc2)CC[NH2+]1 ZINC001218477749 1052244945 /nfs/dbraw/zinc/24/49/45/1052244945.db2.gz FQHGYCHPAWCWTP-GOSISDBHSA-N 1 0 323.440 4.042 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=O)C[C@@H]([NH3+])c2ccc(C#N)cc2)cc1 ZINC001218810369 1052256846 /nfs/dbraw/zinc/25/68/46/1052256846.db2.gz ZVQRTENHDNPUAN-IFXJQAMLSA-N 1 0 321.424 4.100 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000315680006 1052347676 /nfs/dbraw/zinc/34/76/76/1052347676.db2.gz BXZLTTAIUXAGJX-MSOLQXFVSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000762638815 1052410895 /nfs/dbraw/zinc/41/08/95/1052410895.db2.gz FABMLNDGRRAXFF-QGZVFWFLSA-N 1 0 308.466 4.243 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000762770369 1052422451 /nfs/dbraw/zinc/42/24/51/1052422451.db2.gz KZISNVCQTVVAKM-WDEREUQCSA-N 1 0 315.230 4.379 20 30 DIEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237592344 1052443428 /nfs/dbraw/zinc/44/34/28/1052443428.db2.gz PXGLBUKGMFNHSS-HOTGVXAUSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCn1cc(-c2cccc3c2C[N@H+](Cc2ccccc2)C3)cn1 ZINC001222396419 1052495465 /nfs/dbraw/zinc/49/54/65/1052495465.db2.gz YDROZIZYDZZMCW-UHFFFAOYSA-N 1 0 315.420 4.252 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000092483614 1052499580 /nfs/dbraw/zinc/49/95/80/1052499580.db2.gz XEDWZGFTMUPYDG-CABCVRRESA-N 1 0 310.397 4.296 20 30 DIEDRO CC1(C#N)CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000272559604 1052505998 /nfs/dbraw/zinc/50/59/98/1052505998.db2.gz VFXYVMPGWUOCTC-UHFFFAOYSA-N 1 0 319.330 4.384 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(O)ccc2OC)cc1 ZINC001222655752 1052523360 /nfs/dbraw/zinc/52/33/60/1052523360.db2.gz STGXCGMTVYRIEI-LJQANCHMSA-N 1 0 309.409 4.391 20 30 DIEDRO CCc1ccc([C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000763231546 1052548373 /nfs/dbraw/zinc/54/83/73/1052548373.db2.gz CJIGMCLEDCBXFV-LEWJYISDSA-N 1 0 322.452 4.141 20 30 DIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC3(C2)CCCCCC3)cc1 ZINC000763240465 1052549771 /nfs/dbraw/zinc/54/97/71/1052549771.db2.gz GSUXYRWNRVIIOL-LJQANCHMSA-N 1 0 312.457 4.028 20 30 DIEDRO C=C[C@@H](O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1)c1ccccc1 ZINC001223311171 1052587155 /nfs/dbraw/zinc/58/71/55/1052587155.db2.gz XXNFRWAPZZSINR-ILZDJORESA-N 1 0 308.425 4.161 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)ccc1C#N ZINC000488135837 1052618814 /nfs/dbraw/zinc/61/88/14/1052618814.db2.gz HESBRTOEHMCSDL-WIYYLYMNSA-N 1 0 320.436 4.124 20 30 DIEDRO CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](CC)c1ccccc1 ZINC000763409114 1052624014 /nfs/dbraw/zinc/62/40/14/1052624014.db2.gz UEDYQAXMHMEKIN-RTWAWAEBSA-N 1 0 322.452 4.455 20 30 DIEDRO C=C(C)CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001168518875 1052647904 /nfs/dbraw/zinc/64/79/04/1052647904.db2.gz HYEYBNQHYTUPEN-MRXNPFEDSA-N 1 0 310.482 4.016 20 30 DIEDRO Cc1cccc(NC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000125668924 1052650640 /nfs/dbraw/zinc/65/06/40/1052650640.db2.gz GVJJCOMVAHMNBJ-UHFFFAOYSA-N 1 0 322.427 4.062 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(N(CC)CC)cc2)c1 ZINC000916837630 1052657990 /nfs/dbraw/zinc/65/79/90/1052657990.db2.gz RGGREHQQUSUEIK-UHFFFAOYSA-N 1 0 324.468 4.387 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CC2CCCCCCC2)cc1 ZINC000916838693 1052658394 /nfs/dbraw/zinc/65/83/94/1052658394.db2.gz SHBVAKGGUWKZGY-UHFFFAOYSA-N 1 0 313.489 4.487 20 30 DIEDRO CC(C)[N@@H+]1CCC[C@@H](OCc2ccc(C#N)c3ccccc23)C1 ZINC001224028923 1052662250 /nfs/dbraw/zinc/66/22/50/1052662250.db2.gz LROQDZNUWFHFRT-GOSISDBHSA-N 1 0 308.425 4.101 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O/C(=N/c1ccccc1)c1ccccc1)C2 ZINC001224084732 1052667206 /nfs/dbraw/zinc/66/72/06/1052667206.db2.gz AIVVNNFXNIKCFZ-JRYNUCFKSA-N 1 0 320.436 4.407 20 30 DIEDRO C[C@H](O[C@H](CC[NH+](C)C)c1ccccc1)c1ccccc1C#N ZINC001224132659 1052672155 /nfs/dbraw/zinc/67/21/55/1052672155.db2.gz FOXDHHHAUXGTTB-OXJNMPFZSA-N 1 0 308.425 4.329 20 30 DIEDRO C=CC[N@H+](CCCOc1ccc(C#N)cc1)Cc1cccs1 ZINC000916989047 1052677558 /nfs/dbraw/zinc/67/75/58/1052677558.db2.gz XGRXCUQLTOEBCF-UHFFFAOYSA-N 1 0 312.438 4.077 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1F ZINC000154244877 1052678439 /nfs/dbraw/zinc/67/84/39/1052678439.db2.gz NQYYSUJPAQBBNM-HUUCEWRRSA-N 1 0 312.388 4.276 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OCCCCCCC#N ZINC001224375857 1052692357 /nfs/dbraw/zinc/69/23/57/1052692357.db2.gz MKCFZSJQNSTASA-ICSRJNTNSA-N 1 0 314.473 4.388 20 30 DIEDRO CCCCCCCCCOC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001224386705 1052693125 /nfs/dbraw/zinc/69/31/25/1052693125.db2.gz NDTZXLBTNOWTNS-SFHVURJKSA-N 1 0 311.510 4.397 20 30 DIEDRO C=CCCCCCOC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001224427925 1052696304 /nfs/dbraw/zinc/69/63/04/1052696304.db2.gz MYKFMIJMISLRKF-HXUWFJFHSA-N 1 0 317.473 4.041 20 30 DIEDRO C=CCCCCCCCO[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001224508536 1052703363 /nfs/dbraw/zinc/70/33/63/1052703363.db2.gz YWDQPVNJOWCXNE-KDURUIRLSA-N 1 0 309.494 4.173 20 30 DIEDRO C[C@@H](OCC[S+](c1ccccc1)c1ccccc1)[C@H](C)S ZINC001224643168 1052712713 /nfs/dbraw/zinc/71/27/13/1052712713.db2.gz SMMGTQBCWHQWCH-CVEARBPZSA-O 1 0 319.515 4.446 20 30 DIEDRO N#CC1CC(OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001224642620 1052712763 /nfs/dbraw/zinc/71/27/63/1052712763.db2.gz QYMFGOVYJAMCJP-UHFFFAOYSA-N 1 0 310.442 4.042 20 30 DIEDRO CCO[C@H](C)COCC[S+](c1ccccc1)c1ccccc1 ZINC001224644184 1052713294 /nfs/dbraw/zinc/71/32/94/1052713294.db2.gz XVXGTFKFHHRYEA-QGZVFWFLSA-N 1 0 317.474 4.165 20 30 DIEDRO C=CCN(CC(=O)Nc1ccccc1Cc1ccccc1)C(C)C ZINC000917167079 1052713978 /nfs/dbraw/zinc/71/39/78/1052713978.db2.gz RUBLIIYKDMOZKP-UHFFFAOYSA-N 1 0 322.452 4.112 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000154338040 1052715748 /nfs/dbraw/zinc/71/57/48/1052715748.db2.gz QBHMDENUVCZUIL-PMPSAXMXSA-N 1 0 308.425 4.410 20 30 DIEDRO C#C[C@@H](OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224825316 1052729569 /nfs/dbraw/zinc/72/95/69/1052729569.db2.gz JAKYKQSBDCTGER-IFMALSPDSA-N 1 0 319.448 4.290 20 30 DIEDRO CC[NH+](CC)CCO[C@@H](C#Cc1ccccc1)c1ccccc1 ZINC001224931526 1052737059 /nfs/dbraw/zinc/73/70/59/1052737059.db2.gz HGRPTXFKDPOMRH-NRFANRHFSA-N 1 0 307.437 4.138 20 30 DIEDRO C[NH+](C)CCCCO[C@H](C#Cc1ccccc1)c1ccccc1 ZINC001225002639 1052742249 /nfs/dbraw/zinc/74/22/49/1052742249.db2.gz WRHGLWWOWIQIBK-OAQYLSRUSA-N 1 0 307.437 4.138 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2)cc1 ZINC000154461520 1052744367 /nfs/dbraw/zinc/74/43/67/1052744367.db2.gz MAHGBEKCZKIVCC-AWEZNQCLSA-N 1 0 317.816 4.374 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc(CC#N)cc1 ZINC001225263576 1052766140 /nfs/dbraw/zinc/76/61/40/1052766140.db2.gz GQKKAZIPMCAZIE-LAUBAEHRSA-N 1 0 320.436 4.042 20 30 DIEDRO C[C@@H]([C@H](Oc1ccc(C#N)c(F)c1)c1ccccc1)[NH+]1CCCC1 ZINC001225352541 1052778446 /nfs/dbraw/zinc/77/84/46/1052778446.db2.gz AJJLFDPAPFNUPB-YWZLYKJASA-N 1 0 324.399 4.302 20 30 DIEDRO Cc1cc(O[C@H](CC#N)C[N+](C)(C)C)c(C(C)(C)C)cc1Cl ZINC001225458680 1052791394 /nfs/dbraw/zinc/79/13/94/1052791394.db2.gz KHEJFTTWDLEYLG-CQSZACIVSA-N 1 0 323.888 4.313 20 30 DIEDRO C=C[C@H](CCCCCCC)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225546604 1052802258 /nfs/dbraw/zinc/80/22/58/1052802258.db2.gz NWRSRWWBYIFCCP-MRXNPFEDSA-N 1 0 304.434 4.479 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)s1 ZINC000498352244 1052820311 /nfs/dbraw/zinc/82/03/11/1052820311.db2.gz GXNUSNAXBBFOBL-UHFFFAOYSA-N 1 0 320.820 4.234 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556218490 1052822832 /nfs/dbraw/zinc/82/28/32/1052822832.db2.gz VBSUGKYNFLVESH-MRXNPFEDSA-N 1 0 302.418 4.108 20 30 DIEDRO C[C@@H]1CCC[C@](C/N=C\c2c(O)ccc3ccccc32)([NH+](C)C)C1 ZINC000918713034 1052825484 /nfs/dbraw/zinc/82/54/84/1052825484.db2.gz JADLNFGJSHRNEA-VHFMHJIHSA-N 1 0 324.468 4.475 20 30 DIEDRO CN(CC#Cc1ccccc1)[C@]1(c2ccccc2)CCCCC1=O ZINC000556533252 1052860547 /nfs/dbraw/zinc/86/05/47/1052860547.db2.gz HBSPAJHERSUUSC-QFIPXVFZSA-N 1 0 317.432 4.009 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000556611770 1052871916 /nfs/dbraw/zinc/87/19/16/1052871916.db2.gz WLEDZNOTJMHNCQ-OZVIIMIRSA-N 1 0 323.278 4.486 20 30 DIEDRO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000919654720 1052880146 /nfs/dbraw/zinc/88/01/46/1052880146.db2.gz IPWRYVYPAIZEPP-ROUUACIJSA-N 1 0 323.525 4.005 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000556839937 1052887574 /nfs/dbraw/zinc/88/75/74/1052887574.db2.gz RGWFXUOQIFAEGE-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO CC(C)c1ccc(C#N)c(O[C@@H](CC[NH+](C)C)c2ccccc2)n1 ZINC001226356920 1052888277 /nfs/dbraw/zinc/88/82/77/1052888277.db2.gz VKJAGSDSAJZQID-IBGZPJMESA-N 1 0 323.440 4.148 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2cc(N)[nH+]c3ccccc32)O1 ZINC001226423427 1052895291 /nfs/dbraw/zinc/89/52/91/1052895291.db2.gz XBFBJUMFNKCDDX-QFBILLFUSA-N 1 0 312.413 4.098 20 30 DIEDRO C=C[C@]1(C)CC[C@H](Oc2cc(N)[nH+]c3ccccc32)C(C)(C)O1 ZINC001226423601 1052895319 /nfs/dbraw/zinc/89/53/19/1052895319.db2.gz ZAKIQESRLVNSJC-QFBILLFUSA-N 1 0 312.413 4.098 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](Oc2cc(N)[nH+]c3ccccc32)C(C)(C)O1 ZINC001226423603 1052895382 /nfs/dbraw/zinc/89/53/82/1052895382.db2.gz ZAKIQESRLVNSJC-VQIMIIECSA-N 1 0 312.413 4.098 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3c(OC)cccc32)cc1 ZINC000556917032 1052898976 /nfs/dbraw/zinc/89/89/76/1052898976.db2.gz ZWCJGYKUYUSMBL-FQEVSTJZSA-N 1 0 323.436 4.427 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1O ZINC000919941358 1052905811 /nfs/dbraw/zinc/90/58/11/1052905811.db2.gz YDSWVZGLIFUVNP-HXUWFJFHSA-N 1 0 323.436 4.466 20 30 DIEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3cc(C#N)ccc3c1)C2 ZINC001226812975 1052934061 /nfs/dbraw/zinc/93/40/61/1052934061.db2.gz HIPDQDLHMXKGGF-KXTWHKPSSA-N 1 0 320.436 4.494 20 30 DIEDRO CC(C)(C)[NH+]1CCC(Oc2ccc3cc(C#N)ccc3c2)CC1 ZINC001226814467 1052934935 /nfs/dbraw/zinc/93/49/35/1052934935.db2.gz DKQANHNGFSWCJM-UHFFFAOYSA-N 1 0 308.425 4.353 20 30 DIEDRO Cc1ccc(C#N)cc1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001226878751 1052941134 /nfs/dbraw/zinc/94/11/34/1052941134.db2.gz RTPRMYKWYJGXJK-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccc(C#N)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001226879471 1052941327 /nfs/dbraw/zinc/94/13/27/1052941327.db2.gz WJOGFYHUNNJZBP-FXAWDEMLSA-N 1 0 320.436 4.156 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H]2C(C)C)c1O ZINC000920484608 1052942311 /nfs/dbraw/zinc/94/23/11/1052942311.db2.gz HTLLSQHJLCYTLA-SFHVURJKSA-N 1 0 303.446 4.140 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755247 1052945385 /nfs/dbraw/zinc/94/53/85/1052945385.db2.gz UTUNDBYWKLDDEM-SNVBAGLBSA-N 1 0 304.743 4.422 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2cccs2)c(O)c1 ZINC000920943984 1052956175 /nfs/dbraw/zinc/95/61/75/1052956175.db2.gz GHTZNXIEFVSPOH-HTMJNSLASA-N 1 0 302.443 4.480 20 30 DIEDRO CC1(C)CC(/N=C\c2c(O)ccc3ccccc32)CC(C)(C)[NH2+]1 ZINC000920945956 1052956612 /nfs/dbraw/zinc/95/66/12/1052956612.db2.gz LTSHAWCTHFHUBG-BKUYFWCQSA-N 1 0 310.441 4.274 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)cc1 ZINC000195483175 1052960942 /nfs/dbraw/zinc/96/09/42/1052960942.db2.gz NMZSAFIWLIQHGJ-UHFFFAOYSA-N 1 0 315.376 4.035 20 30 DIEDRO Cc1ccc(-c2ccc(O[C@H](CC#N)C[N+](C)(C)C)cc2)cc1 ZINC001227227148 1052974607 /nfs/dbraw/zinc/97/46/07/1052974607.db2.gz FDLXXGLZFOQLBO-HXUWFJFHSA-N 1 0 309.433 4.029 20 30 DIEDRO Cc1cc2cc(C[NH2+]Cc3ccc(OCC#N)cc3)oc2cc1C ZINC000174977293 1052975781 /nfs/dbraw/zinc/97/57/81/1052975781.db2.gz XAHKUGPPNSICAY-UHFFFAOYSA-N 1 0 320.392 4.242 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000378862086 1052995631 /nfs/dbraw/zinc/99/56/31/1052995631.db2.gz SFKJFYGOIBKYAJ-KOLCDFICSA-N 1 0 300.265 4.442 20 30 DIEDRO N#Cc1ccc(Cl)cc1NCCCCC[NH+]1CCCCC1 ZINC000609893547 1052998488 /nfs/dbraw/zinc/99/84/88/1052998488.db2.gz WWQWRDJCEIEAMK-UHFFFAOYSA-N 1 0 305.853 4.280 20 30 DIEDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000610002225 1053002542 /nfs/dbraw/zinc/00/25/42/1053002542.db2.gz RGGMOPBYVMHZNT-HXUWFJFHSA-N 1 0 320.436 4.226 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(C)c1 ZINC000237546251 1053010246 /nfs/dbraw/zinc/01/02/46/1053010246.db2.gz OYMFYLFPPGPIOP-ZWKOTPCHSA-N 1 0 322.452 4.315 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCCC2CCCC2)cc1 ZINC000237566989 1053012585 /nfs/dbraw/zinc/01/25/85/1053012585.db2.gz KKVZRJLEUMYBSQ-MRXNPFEDSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)cc1 ZINC000237580022 1053012947 /nfs/dbraw/zinc/01/29/47/1053012947.db2.gz OTANZAKOODTBIT-SJORKVTESA-N 1 0 322.452 4.433 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000237608568 1053015077 /nfs/dbraw/zinc/01/50/77/1053015077.db2.gz FPURTDWCXPVTIU-KDOFPFPSSA-N 1 0 324.449 4.304 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000237604926 1053015114 /nfs/dbraw/zinc/01/51/14/1053015114.db2.gz FPURTDWCXPVTIU-RDTXWAMCSA-N 1 0 324.449 4.304 20 30 DIEDRO Cc1cc(C#N)cc(O[C@@H](CC[NH+](C)C)c2cccs2)c1 ZINC001227834956 1053019845 /nfs/dbraw/zinc/01/98/45/1053019845.db2.gz GDDLTRMZIBFNLW-INIZCTEOSA-N 1 0 300.427 4.000 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)c(F)c1 ZINC000237711560 1053021968 /nfs/dbraw/zinc/02/19/68/1053021968.db2.gz JJAQEDYPUDJMQZ-UHFFFAOYSA-N 1 0 324.399 4.309 20 30 DIEDRO CC[N@H+](Cc1cn(C)nc1C(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000179722762 1053023525 /nfs/dbraw/zinc/02/35/25/1053023525.db2.gz GDBICAGWPJKURQ-OAHLLOKOSA-N 1 0 324.472 4.172 20 30 DIEDRO CC(C)(C)c1cc(Cl)ccc1O[C@H](CC#N)C[N+](C)(C)C ZINC001227907729 1053027972 /nfs/dbraw/zinc/02/79/72/1053027972.db2.gz RWRXDFNZGZLNFW-CQSZACIVSA-N 1 0 309.861 4.005 20 30 DIEDRO C=CCc1ccc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c(OC)c1 ZINC001227926656 1053029902 /nfs/dbraw/zinc/02/99/02/1053029902.db2.gz HZAUMHXYFJLUKO-UHFFFAOYSA-N 1 0 317.473 4.454 20 30 DIEDRO N#Cc1cc(F)ccc1CNC1(c2ccc(F)cc2F)CCC1 ZINC000179992244 1053038620 /nfs/dbraw/zinc/03/86/20/1053038620.db2.gz BLSZZZHIEIYYRH-UHFFFAOYSA-N 1 0 316.326 4.145 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC000616092139 1053046614 /nfs/dbraw/zinc/04/66/14/1053046614.db2.gz PCKBPBDOEMAVIT-IBGZPJMESA-N 1 0 324.399 4.218 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1F ZINC000180267258 1053051169 /nfs/dbraw/zinc/05/11/69/1053051169.db2.gz WZSHZVNNRFHYGW-OAHLLOKOSA-N 1 0 314.857 4.413 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(=S)c2ccccc21 ZINC000068613623 1053054478 /nfs/dbraw/zinc/05/44/78/1053054478.db2.gz NTRPOCZBVVIVCK-UHFFFAOYSA-N 1 0 319.433 4.332 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1cccc(C#N)c1 ZINC000616475753 1053057051 /nfs/dbraw/zinc/05/70/51/1053057051.db2.gz UHTHUXWIYMGUGB-OAHLLOKOSA-N 1 0 306.409 4.198 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000180549698 1053069313 /nfs/dbraw/zinc/06/93/13/1053069313.db2.gz XCOFUGQBUOXDET-FPOVZHCZSA-N 1 0 320.436 4.090 20 30 DIEDRO Cc1cc[nH+]c(NCc2ccc(N(C)CCC#N)cc2)c1C1CC1 ZINC000849348017 1053089802 /nfs/dbraw/zinc/08/98/02/1053089802.db2.gz XFNGTWOSFMRKQI-UHFFFAOYSA-N 1 0 320.440 4.229 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180905938 1053103423 /nfs/dbraw/zinc/10/34/23/1053103423.db2.gz FWMXNFPOZQDMQD-QQFBHYJXSA-N 1 0 310.482 4.157 20 30 DIEDRO C#C[C@@H](Oc1ccc2ccccc2c1C[NH+](C)C)c1ccncc1 ZINC001228440479 1053104441 /nfs/dbraw/zinc/10/44/41/1053104441.db2.gz DMXCRAYLMXHPCG-HXUWFJFHSA-N 1 0 316.404 4.050 20 30 DIEDRO CC(C)C([NH2+]Cc1cc(C#N)ccc1Br)C(C)C ZINC000617217477 1053108799 /nfs/dbraw/zinc/10/87/99/1053108799.db2.gz LOWNMUDIQNWYGQ-UHFFFAOYSA-N 1 0 309.251 4.091 20 30 DIEDRO Cc1cc(C)c(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(C)c1 ZINC000069099177 1053117799 /nfs/dbraw/zinc/11/77/99/1053117799.db2.gz RNCKXJPUKJWGJN-UHFFFAOYSA-N 1 0 321.468 4.252 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1SC ZINC000069160059 1053125300 /nfs/dbraw/zinc/12/53/00/1053125300.db2.gz DQXBPOKRYICXEM-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO C=C1CC[NH+](CCCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001559526047 1053132634 /nfs/dbraw/zinc/13/26/34/1053132634.db2.gz JUPXZPWYYGVTAS-UHFFFAOYSA-N 1 0 310.482 4.114 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccccc2C=Nc2ccccc2)CC1 ZINC001228564604 1053135656 /nfs/dbraw/zinc/13/56/56/1053135656.db2.gz MAZPCCDKLRHCKB-IBGZPJMESA-N 1 0 308.425 4.300 20 30 DIEDRO CC[NH+]1CCC(Oc2ccccc2C=Nc2ccccc2)CC1 ZINC001228563793 1053135679 /nfs/dbraw/zinc/13/56/79/1053135679.db2.gz CRSLKSKYFARXCF-UHFFFAOYSA-N 1 0 308.425 4.300 20 30 DIEDRO CC(C)[N@@H+]1CC[C@H](Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228563800 1053135886 /nfs/dbraw/zinc/13/58/86/1053135886.db2.gz CUGIJCMRMIOYDD-IBGZPJMESA-N 1 0 308.425 4.299 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1OC1CC[NH+](C2CC2)CC1 ZINC001228564010 1053136015 /nfs/dbraw/zinc/13/60/15/1053136015.db2.gz FCCQGLRFEXCNPL-UHFFFAOYSA-N 1 0 320.436 4.443 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC001474687509 1053139640 /nfs/dbraw/zinc/13/96/40/1053139640.db2.gz POAPKTYAILOESU-HNNXBMFYSA-N 1 0 312.498 4.404 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000615229144 1053182455 /nfs/dbraw/zinc/18/24/55/1053182455.db2.gz RPLGRXKMXNTNMW-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CC[C@@H](C#N)C4)cc32)CC1 ZINC001228823638 1053186549 /nfs/dbraw/zinc/18/65/49/1053186549.db2.gz NMNCHIJCZRIJHH-GDBMZVCRSA-N 1 0 323.440 4.048 20 30 DIEDRO C=CCc1ccccc1O[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001228847476 1053192623 /nfs/dbraw/zinc/19/26/23/1053192623.db2.gz UMIZVBXIXBDGHU-MJGOQNOKSA-N 1 0 322.452 4.415 20 30 DIEDRO C[C@H](C#N)C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000617849027 1053200944 /nfs/dbraw/zinc/20/09/44/1053200944.db2.gz NRFLGEAXDQEDAK-VEAWUBTESA-N 1 0 310.363 4.481 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728353 1053212890 /nfs/dbraw/zinc/21/28/90/1053212890.db2.gz ASSRTRHTWQISQP-STQMWFEESA-N 1 0 319.836 4.123 20 30 DIEDRO CN(C)c1cccc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)c1 ZINC000089922907 1053219682 /nfs/dbraw/zinc/21/96/82/1053219682.db2.gz OMJOKOOBTOMVED-UHFFFAOYSA-N 1 0 321.468 4.186 20 30 DIEDRO CC(C)(C)c1cc(C#N)ccc1OC1CC[NH+](C(C)(C)C)CC1 ZINC001228995905 1053220378 /nfs/dbraw/zinc/22/03/78/1053220378.db2.gz HIZUYJAAISFTOA-UHFFFAOYSA-N 1 0 314.473 4.497 20 30 DIEDRO C=C(C)c1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)cc1 ZINC001229077911 1053240653 /nfs/dbraw/zinc/24/06/53/1053240653.db2.gz DIQXPITWPQWMRS-QFBILLFUSA-N 1 0 308.425 4.329 20 30 DIEDRO C=C(C)c1ccc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)cc1 ZINC001229077912 1053240844 /nfs/dbraw/zinc/24/08/44/1053240844.db2.gz DIQXPITWPQWMRS-VQIMIIECSA-N 1 0 308.425 4.329 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000181571871 1053245874 /nfs/dbraw/zinc/24/58/74/1053245874.db2.gz RJCKCGKAAIRWGW-BEFAXECRSA-N 1 0 306.409 4.317 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1cccc(C#N)c1 ZINC000181607018 1053259313 /nfs/dbraw/zinc/25/93/13/1053259313.db2.gz SSJVHUXSIFKLBL-DLBZAZTESA-N 1 0 308.425 4.062 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2cccc(OCC#N)c2)C2CC2)ccc1F ZINC001319791475 1053273324 /nfs/dbraw/zinc/27/33/24/1053273324.db2.gz AHPWANROWIUKAL-FQEVSTJZSA-N 1 0 324.399 4.277 20 30 DIEDRO Cc1cc(O[C@@H](CC[NH+](C)C)c2cccs2)ccc1C#N ZINC001229213027 1053274929 /nfs/dbraw/zinc/27/49/29/1053274929.db2.gz IWJARQSCKGGQJN-INIZCTEOSA-N 1 0 300.427 4.000 20 30 DIEDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC001319829507 1053278505 /nfs/dbraw/zinc/27/85/05/1053278505.db2.gz YDXVFWJSHBCFCH-SJLPKXTDSA-N 1 0 318.486 4.085 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1cc(C#N)ccc1Cl)c1ccccc1 ZINC001229249877 1053282452 /nfs/dbraw/zinc/28/24/52/1053282452.db2.gz BGNCOOFTZAFONC-KRWDZBQOSA-N 1 0 314.816 4.283 20 30 DIEDRO Cc1cccc([C@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181801142 1053292363 /nfs/dbraw/zinc/29/23/63/1053292363.db2.gz GHUAVEZWGVSODE-IAGOWNOFSA-N 1 0 308.425 4.352 20 30 DIEDRO C=C[C@@H](Oc1ccc(C(=O)CC[NH+](C)C)cc1)c1ccccc1 ZINC001229302320 1053295168 /nfs/dbraw/zinc/29/51/68/1053295168.db2.gz GSPJTBOIPDJSGS-HXUWFJFHSA-N 1 0 309.409 4.127 20 30 DIEDRO C=CCc1ccc(O)c(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001229338334 1053301518 /nfs/dbraw/zinc/30/15/18/1053301518.db2.gz DZVVDLWUWSRPSG-LJQANCHMSA-N 1 0 323.436 4.164 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC001320126283 1053308882 /nfs/dbraw/zinc/30/88/82/1053308882.db2.gz XWCQUXGBFRPRIE-WBMJQRKESA-N 1 0 310.372 4.050 20 30 DIEDRO CCOCCC1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCCC1 ZINC000181898251 1053309946 /nfs/dbraw/zinc/30/99/46/1053309946.db2.gz AXPCSONEBHQUPJ-MRXNPFEDSA-N 1 0 300.446 4.196 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@H]2CC[N@H+](C)C2)cc1 ZINC001229376583 1053310435 /nfs/dbraw/zinc/31/04/35/1053310435.db2.gz KLXYGXYTYVEIPH-SFHVURJKSA-N 1 0 303.446 4.313 20 30 DIEDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1C=Nc1ccc(F)cc1 ZINC001229375359 1053310765 /nfs/dbraw/zinc/31/07/65/1053310765.db2.gz BLFHJCICWSASTR-HNNXBMFYSA-N 1 0 315.412 4.050 20 30 DIEDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000181980493 1053318972 /nfs/dbraw/zinc/31/89/72/1053318972.db2.gz PGLBYLRKKHYOQZ-KKSFZXQISA-N 1 0 320.436 4.261 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000618571889 1053322651 /nfs/dbraw/zinc/32/26/51/1053322651.db2.gz KUQPBOFEWFJCGO-GIPNMCIBSA-N 1 0 311.212 4.099 20 30 DIEDRO Cc1ccccc1OCCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181996574 1053323687 /nfs/dbraw/zinc/32/36/87/1053323687.db2.gz RZKZFXKKRBYZAC-QGZVFWFLSA-N 1 0 324.424 4.017 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)cs1 ZINC000618566819 1053324887 /nfs/dbraw/zinc/32/48/87/1053324887.db2.gz HCRYACWSRPNUFY-DOTOQJQBSA-N 1 0 311.454 4.291 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000618571991 1053326810 /nfs/dbraw/zinc/32/68/10/1053326810.db2.gz BZGTUBGWNVLOCR-ZWKOTPCHSA-N 1 0 300.446 4.194 20 30 DIEDRO CC[N@H+](CCC(=O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000182076494 1053340395 /nfs/dbraw/zinc/34/03/95/1053340395.db2.gz UCEWOHHGONOZBS-INIZCTEOSA-N 1 0 306.409 4.214 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC001320591273 1053348570 /nfs/dbraw/zinc/34/85/70/1053348570.db2.gz DDNIRXVSFVJWNQ-QFBILLFUSA-N 1 0 311.425 4.117 20 30 DIEDRO C#CCC1(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCCCC1 ZINC001320670393 1053353222 /nfs/dbraw/zinc/35/32/22/1053353222.db2.gz KNZSUSCZMDBUBP-UHFFFAOYSA-N 1 0 324.468 4.195 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC001320688209 1053355208 /nfs/dbraw/zinc/35/52/08/1053355208.db2.gz DLXCWQSZXJOIDG-UHFFFAOYSA-N 1 0 306.384 4.028 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1ccc2cnccc2c1)c1ccccc1 ZINC000618729095 1053356376 /nfs/dbraw/zinc/35/63/76/1053356376.db2.gz GZAHVVJXRGIPNQ-FQEVSTJZSA-N 1 0 301.393 4.369 20 30 DIEDRO COc1ccc2oc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)cc2c1 ZINC000618741626 1053357188 /nfs/dbraw/zinc/35/71/88/1053357188.db2.gz HUBPYGAYDBDCPU-LJQANCHMSA-N 1 0 318.376 4.090 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc(N2CCCC2)cc1 ZINC001320734366 1053357658 /nfs/dbraw/zinc/35/76/58/1053357658.db2.gz VHYRZNYURLJQDU-UHFFFAOYSA-N 1 0 310.441 4.111 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742690 1053358430 /nfs/dbraw/zinc/35/84/30/1053358430.db2.gz PEIGPCLSPMBMHQ-FQEVSTJZSA-N 1 0 306.409 4.123 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001545710325 1053361051 /nfs/dbraw/zinc/36/10/51/1053361051.db2.gz XSBDZTUHXWLWDM-YESZJQIVSA-N 1 0 308.510 4.115 20 30 DIEDRO C=CCOc1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001229612087 1053364351 /nfs/dbraw/zinc/36/43/51/1053364351.db2.gz SUTTXVAXJYEGAW-FVQHAEBGSA-N 1 0 301.430 4.034 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001320810805 1053364810 /nfs/dbraw/zinc/36/48/10/1053364810.db2.gz HRBDMEBEDNQCGM-GOSISDBHSA-N 1 0 308.510 4.214 20 30 DIEDRO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618801463 1053365887 /nfs/dbraw/zinc/36/58/87/1053365887.db2.gz AZQCBSPJWXUPMP-HZPDHXFCSA-N 1 0 323.465 4.232 20 30 DIEDRO Cc1ccc(C2CC([NH2+][C@@H]3CCc4cc(C#N)ccc43)C2)cc1 ZINC000618801798 1053367122 /nfs/dbraw/zinc/36/71/22/1053367122.db2.gz BXSPWOHZAAHFHO-GZNCHQMQSA-N 1 0 302.421 4.390 20 30 DIEDRO CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618801852 1053368156 /nfs/dbraw/zinc/36/81/56/1053368156.db2.gz BKHYLBAHLFGIFM-QZTJIDSGSA-N 1 0 306.409 4.442 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+]C1CC(C#N)(c3ccccc3)C1)CCC2 ZINC001320869876 1053369679 /nfs/dbraw/zinc/36/96/79/1053369679.db2.gz BCMYUDIVPLTRIQ-URSIVYNOSA-N 1 0 323.465 4.043 20 30 DIEDRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804753 1053370512 /nfs/dbraw/zinc/37/05/12/1053370512.db2.gz LTVRXZHLOIPYSU-AUUYWEPGSA-N 1 0 306.409 4.213 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc(OC)c1 ZINC000618803378 1053370934 /nfs/dbraw/zinc/37/09/34/1053370934.db2.gz IGEKELFMYCSTJE-VQTJNVASSA-N 1 0 306.409 4.295 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000618807613 1053372161 /nfs/dbraw/zinc/37/21/61/1053372161.db2.gz UYQFWTXZWHUMTD-LMNJBCLMSA-N 1 0 302.421 4.471 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000618808071 1053372439 /nfs/dbraw/zinc/37/24/39/1053372439.db2.gz YVNZYVJWVLEXFE-BFUOFWGJSA-N 1 0 323.415 4.101 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cnn1C(C)(C)C ZINC000618807485 1053372741 /nfs/dbraw/zinc/37/27/41/1053372741.db2.gz ZXABXHVYMFKGSM-YJYMSZOUSA-N 1 0 322.456 4.156 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc2c(s1)CCC2 ZINC000618808214 1053373210 /nfs/dbraw/zinc/37/32/10/1053373210.db2.gz ZQXCARHNSXMRMN-PXAZEXFGSA-N 1 0 308.450 4.447 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618805979 1053373487 /nfs/dbraw/zinc/37/34/87/1053373487.db2.gz LNESQDKWDDVCKA-ORAYPTAESA-N 1 0 321.380 4.113 20 30 DIEDRO Cc1ccccc1C1CC([NH2+][C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618808245 1053373752 /nfs/dbraw/zinc/37/37/52/1053373752.db2.gz ZXBVZJGBLPMELW-NGICGMGXSA-N 1 0 302.421 4.390 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(F)c1 ZINC000618807109 1053373778 /nfs/dbraw/zinc/37/37/78/1053373778.db2.gz SUUXOZIBOGFSEI-BUXKBTBVSA-N 1 0 310.372 4.044 20 30 DIEDRO CC[C@]1(c2cccc(OC3CC(C#N)C3)c2)CCCC[N@H+](C)C1 ZINC001229648998 1053374647 /nfs/dbraw/zinc/37/46/47/1053374647.db2.gz ZTDGZDIIUPPWFP-GQOXECLESA-N 1 0 312.457 4.131 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000182220140 1053379196 /nfs/dbraw/zinc/37/91/96/1053379196.db2.gz YQNXCEVNNPUEOH-OAHLLOKOSA-N 1 0 309.384 4.178 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](OCCC)CC1 ZINC000093317153 1053383914 /nfs/dbraw/zinc/38/39/14/1053383914.db2.gz HNFMHNJMKALVPW-GOSISDBHSA-N 1 0 303.446 4.033 20 30 DIEDRO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccccc2C[NH+](C)C)O1 ZINC001229700267 1053388056 /nfs/dbraw/zinc/38/80/56/1053388056.db2.gz WXNBTCMWNJHCGZ-IEBWSBKVSA-N 1 0 303.446 4.029 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000618888458 1053390638 /nfs/dbraw/zinc/39/06/38/1053390638.db2.gz UIHVBWVWVPGQKD-MSOLQXFVSA-N 1 0 313.489 4.179 20 30 DIEDRO CC1(C)[C@H]([NH2+]Cc2cccc(OCC#N)c2)C[C@@H]1c1ccccc1 ZINC001321198575 1053399188 /nfs/dbraw/zinc/39/91/88/1053399188.db2.gz ARXRALRFZMHYIJ-WOJBJXKFSA-N 1 0 320.436 4.261 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000093757239 1053444896 /nfs/dbraw/zinc/44/48/96/1053444896.db2.gz CPHCCYDNGQUBRK-INIZCTEOSA-N 1 0 302.487 4.431 20 30 DIEDRO Cc1ccc(F)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182515754 1053464154 /nfs/dbraw/zinc/46/41/54/1053464154.db2.gz IPBSPEMVVUIKHN-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO COc1cc2c(N[C@H](C)c3cccc(C#N)c3)cc[nH+]c2cc1F ZINC000619483229 1053494272 /nfs/dbraw/zinc/49/42/72/1053494272.db2.gz DPVXXMDSYYXWPL-GFCCVEGCSA-N 1 0 321.355 4.427 20 30 DIEDRO N#CCC1(CNCc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000619530082 1053501636 /nfs/dbraw/zinc/50/16/36/1053501636.db2.gz ZKZFGTMXXMQNMM-UHFFFAOYSA-N 1 0 303.620 4.430 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)cc(OC)c1OC ZINC001200267928 1053512866 /nfs/dbraw/zinc/51/28/66/1053512866.db2.gz KXBGCBDRACBXGV-HDMKZQKVSA-N 1 0 317.473 4.347 20 30 DIEDRO N#CC1(CCC[NH2+][C@H](CC2CC2)c2ccccc2)CCOCC1 ZINC000619621141 1053521094 /nfs/dbraw/zinc/52/10/94/1053521094.db2.gz PPHUOUAOLWEQCQ-LJQANCHMSA-N 1 0 312.457 4.218 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)ccc1C#N ZINC000619654378 1053525140 /nfs/dbraw/zinc/52/51/40/1053525140.db2.gz FKYOPBNEKDLZQY-RBZFPXEDSA-N 1 0 324.399 4.119 20 30 DIEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2ccnc(C#N)c2)C1 ZINC000619654608 1053526125 /nfs/dbraw/zinc/52/61/25/1053526125.db2.gz ZXCQIIKIXWRNGH-IBGZPJMESA-N 1 0 305.425 4.147 20 30 DIEDRO COc1cccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1F ZINC000619725147 1053541087 /nfs/dbraw/zinc/54/10/87/1053541087.db2.gz CBRRQYGWPRKDAC-ROUUACIJSA-N 1 0 324.399 4.106 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000619724372 1053541278 /nfs/dbraw/zinc/54/12/78/1053541278.db2.gz KSTBDIAFHWJTGL-YOEHRIQHSA-N 1 0 304.384 4.351 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CCC(F)(F)CC1 ZINC000619724583 1053541384 /nfs/dbraw/zinc/54/13/84/1053541384.db2.gz CVIKEANZDVDUSP-QGZVFWFLSA-N 1 0 304.384 4.351 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755048 1053547737 /nfs/dbraw/zinc/54/77/37/1053547737.db2.gz RMJPWJLQHIFZNF-ZDUSSCGKSA-N 1 0 314.816 4.380 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754787 1053548099 /nfs/dbraw/zinc/54/80/99/1053548099.db2.gz KPQKJABZRBJHNW-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(OC)cc1 ZINC000619755691 1053548264 /nfs/dbraw/zinc/54/82/64/1053548264.db2.gz PJPKUHDWCUBLRR-GOSISDBHSA-N 1 0 314.816 4.461 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1Cl ZINC000619755027 1053548444 /nfs/dbraw/zinc/54/84/44/1053548444.db2.gz RBXZDSNUVZFABJ-LJQANCHMSA-N 1 0 310.828 4.323 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1Cl ZINC000619755510 1053548489 /nfs/dbraw/zinc/54/84/89/1053548489.db2.gz ZGRQZVDNKNPGOG-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccc1N(C)C ZINC000619755072 1053548782 /nfs/dbraw/zinc/54/87/82/1053548782.db2.gz SEHTXIBPIIPPKS-ZDUSSCGKSA-N 1 0 313.832 4.128 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755867 1053550619 /nfs/dbraw/zinc/55/06/19/1053550619.db2.gz WSXYSDLYRGSWGD-IBGZPJMESA-N 1 0 321.811 4.251 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)cc1Cl ZINC000619746631 1053553084 /nfs/dbraw/zinc/55/30/84/1053553084.db2.gz DKPSQCBEGLFVHQ-INIZCTEOSA-N 1 0 318.754 4.267 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1Cl ZINC000619748940 1053556395 /nfs/dbraw/zinc/55/63/95/1053556395.db2.gz TVFAXYARDMYKCQ-UHFFFAOYSA-N 1 0 309.171 4.294 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccsc1 ZINC000619783778 1053558449 /nfs/dbraw/zinc/55/84/49/1053558449.db2.gz XYXDLWHSEGEKRU-SNVBAGLBSA-N 1 0 308.353 4.072 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CCC)c2ccc(OC)cc2)CC1 ZINC000152952182 1053562097 /nfs/dbraw/zinc/56/20/97/1053562097.db2.gz PNKYRHMRJFFOTM-FQEVSTJZSA-N 1 0 316.489 4.167 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCOc2ccccc2)cc1Cl ZINC000619847306 1053567729 /nfs/dbraw/zinc/56/77/29/1053567729.db2.gz QRAYNPKWYGXYTP-UHFFFAOYSA-N 1 0 314.816 4.160 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000153012222 1053569078 /nfs/dbraw/zinc/56/90/78/1053569078.db2.gz XDUAIVJYRDFJSA-WOJBJXKFSA-N 1 0 316.464 4.092 20 30 DIEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000153033111 1053571634 /nfs/dbraw/zinc/57/16/34/1053571634.db2.gz KUWPBSWFRARPEB-AWEZNQCLSA-N 1 0 322.880 4.040 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(Cl)c(F)c1 ZINC001323438358 1053583031 /nfs/dbraw/zinc/58/30/31/1053583031.db2.gz CXEZKJUWQSHTAF-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC001324021811 1053617053 /nfs/dbraw/zinc/61/70/53/1053617053.db2.gz MFSIRLIGLYCMIP-AAEUAGOBSA-N 1 0 319.392 4.193 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001324021204 1053617816 /nfs/dbraw/zinc/61/78/16/1053617816.db2.gz HEDJYHKYPBVTAC-CZUORRHYSA-N 1 0 316.470 4.279 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C2(c3ccc(F)cc3)CC2)C1 ZINC001324336274 1053645700 /nfs/dbraw/zinc/64/57/00/1053645700.db2.gz RFALLQCNGUQZMA-UHFFFAOYSA-N 1 0 306.384 4.028 20 30 DIEDRO C=CCc1cccc(O[C@@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c1 ZINC001231010035 1053649260 /nfs/dbraw/zinc/64/92/60/1053649260.db2.gz NEGAFUOZMAWNCQ-YLJYHZDGSA-N 1 0 322.452 4.415 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC001325620046 1053724466 /nfs/dbraw/zinc/72/44/66/1053724466.db2.gz OBWBPCVUCKVOPJ-WFASDCNBSA-N 1 0 305.418 4.406 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2ccc3ccc(C#N)cc3n2)CC1(C)C ZINC001231366447 1053737310 /nfs/dbraw/zinc/73/73/10/1053737310.db2.gz CLEKEFRCNJRBEV-UHFFFAOYSA-N 1 0 323.440 4.137 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1Cl ZINC000183730852 1053744259 /nfs/dbraw/zinc/74/42/59/1053744259.db2.gz GPHCQQBMUHVYTJ-CQSZACIVSA-N 1 0 316.832 4.493 20 30 DIEDRO CC(C)(C)c1cccc(OCC[NH2+]Cc2csc(C#N)c2)c1 ZINC001200581241 1053785727 /nfs/dbraw/zinc/78/57/27/1053785727.db2.gz RAYRHMVNKUQSNT-UHFFFAOYSA-N 1 0 314.454 4.086 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(Cl)c(Br)c1 ZINC001231568673 1053787375 /nfs/dbraw/zinc/78/73/75/1053787375.db2.gz POKGCNOSDJYRPC-UHFFFAOYSA-N 1 0 300.627 4.277 20 30 DIEDRO Cn1c2ccccc2c(C[N@@H+]2CC[C@H](C#N)C2)c1-c1ccccc1 ZINC001231574771 1053787439 /nfs/dbraw/zinc/78/74/39/1053787439.db2.gz ZZAWVVYZXIFCPD-MRXNPFEDSA-N 1 0 315.420 4.191 20 30 DIEDRO C[N@H+](Cc1cccnc1)Cc1ccccc1C#Cc1ccccc1 ZINC001231579373 1053789313 /nfs/dbraw/zinc/78/93/13/1053789313.db2.gz ZPUNMSAEJLYKFG-UHFFFAOYSA-N 1 0 312.416 4.113 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C(C)(C)C ZINC001231616693 1053802327 /nfs/dbraw/zinc/80/23/27/1053802327.db2.gz KQDPHLDXOITSHX-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO C=CC[N@H+](Cc1[nH]nc2cc(Br)ccc21)C(C)(C)C ZINC001231616317 1053802556 /nfs/dbraw/zinc/80/25/56/1053802556.db2.gz ZNHOXULIFDWCOM-UHFFFAOYSA-N 1 0 322.250 4.112 20 30 DIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001231616403 1053802677 /nfs/dbraw/zinc/80/26/77/1053802677.db2.gz BQAWRGNPYIUEPY-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO C#Cc1cccc(C[N@H+]2CC[C@@H](Sc3ccccc3OC)C2)c1 ZINC001231660316 1053825196 /nfs/dbraw/zinc/82/51/96/1053825196.db2.gz CIPMFBDKQDHHNI-GOSISDBHSA-N 1 0 323.461 4.043 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC(c3ccccc3OC)CC2)c1 ZINC001231662332 1053825434 /nfs/dbraw/zinc/82/54/34/1053825434.db2.gz DWDZZKSHQPMWEZ-UHFFFAOYSA-N 1 0 305.421 4.056 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)c(F)c1 ZINC001327012493 1053825744 /nfs/dbraw/zinc/82/57/44/1053825744.db2.gz JKQLSEOKYUWTLD-CYBMUJFWSA-N 1 0 324.827 4.230 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC(Oc3cccc(C)c3)CC2)c1 ZINC001231661977 1053827403 /nfs/dbraw/zinc/82/74/03/1053827403.db2.gz BJLFXSXDSMYYOE-UHFFFAOYSA-N 1 0 305.421 4.020 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC3(CC2)O[C@H](C)c2ccccc23)c1 ZINC001231664647 1053827672 /nfs/dbraw/zinc/82/76/72/1053827672.db2.gz UEFGFEJLRWFYHI-QGZVFWFLSA-N 1 0 317.432 4.250 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000156849831 1053829041 /nfs/dbraw/zinc/82/90/41/1053829041.db2.gz DBHWKCCJTQWLNN-MRXNPFEDSA-N 1 0 317.408 4.143 20 30 DIEDRO CC(C)(C)Oc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001231808368 1053865035 /nfs/dbraw/zinc/86/50/35/1053865035.db2.gz YHNCCOICZIBQAQ-UHFFFAOYSA-N 1 0 320.436 4.294 20 30 DIEDRO C[N@H+](Cc1ccc(OC(C)(C)C)cc1)Cc1cccc(C#N)c1 ZINC001231808742 1053866082 /nfs/dbraw/zinc/86/60/82/1053866082.db2.gz ULLLGBXAKUXZEZ-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO Fc1ccc(-c2ccccc2C[NH+]2CCC(S)CC2)cc1 ZINC001231825285 1053880385 /nfs/dbraw/zinc/88/03/85/1053880385.db2.gz RWMNWUHDZVRUFB-UHFFFAOYSA-N 1 0 301.430 4.387 20 30 DIEDRO C=CCC1(c2nnc([C@H](C)C[NH+]3CCC(C)CC3)o2)CCCC1 ZINC001327845207 1053882081 /nfs/dbraw/zinc/88/20/81/1053882081.db2.gz CABYVCGDCVMRTK-MRXNPFEDSA-N 1 0 317.477 4.293 20 30 DIEDRO Cc1cc(C)c(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c(O)c1 ZINC001231845581 1053887292 /nfs/dbraw/zinc/88/72/92/1053887292.db2.gz BKYNAISKNDQKBX-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000671120227 1053890145 /nfs/dbraw/zinc/89/01/45/1053890145.db2.gz FCYHHSXYBZUJIJ-OAHLLOKOSA-N 1 0 300.446 4.016 20 30 DIEDRO Cc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(C#N)CC1 ZINC001231846308 1053890314 /nfs/dbraw/zinc/89/03/14/1053890314.db2.gz BYOCBTQBEVPIII-UHFFFAOYSA-N 1 0 320.436 4.310 20 30 DIEDRO C=C(C)CCC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](CC)CC ZINC001436544791 1053897092 /nfs/dbraw/zinc/89/70/92/1053897092.db2.gz WDVGRKJWFUKXJS-IBGZPJMESA-N 1 0 316.489 4.104 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccnc(Cl)c2c1 ZINC001231980341 1053928245 /nfs/dbraw/zinc/92/82/45/1053928245.db2.gz DJJOYYMUHVVKGQ-MKZZRHPPSA-N 1 0 311.816 4.155 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc2ccnc(Cl)c2c1 ZINC001231979881 1053928779 /nfs/dbraw/zinc/92/87/79/1053928779.db2.gz XRMAWKREMVJGAC-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO Cc1cccc([C@@H]([NH2+]Cc2cccc(OCC#N)c2)C(C)C)c1 ZINC001328789415 1053954092 /nfs/dbraw/zinc/95/40/92/1053954092.db2.gz QDJLCTADVFCCMD-FQEVSTJZSA-N 1 0 308.425 4.384 20 30 DIEDRO C[N@H+](CC/C=C/c1cccnc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232116060 1053964997 /nfs/dbraw/zinc/96/49/97/1053964997.db2.gz FVTVOKIOGSXXRG-GORDUTHDSA-N 1 0 311.816 4.142 20 30 DIEDRO CCN(CCC#N)Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001232137221 1053969364 /nfs/dbraw/zinc/96/93/64/1053969364.db2.gz PGEKDDXPPXSCNJ-UHFFFAOYSA-N 1 0 317.795 4.277 20 30 DIEDRO C=CCN(Cc1ncccc1Br)C1CCCCC1 ZINC001232166827 1053975468 /nfs/dbraw/zinc/97/54/68/1053975468.db2.gz IWEPZZAUWROTRX-UHFFFAOYSA-N 1 0 309.251 4.165 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)C2CCOCC2)cc1Cl ZINC000081197237 1053988964 /nfs/dbraw/zinc/98/89/64/1053988964.db2.gz PWZKMBPEPCYJEF-QGZVFWFLSA-N 1 0 323.864 4.200 20 30 DIEDRO C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1cc2cnccc2o1 ZINC001329754753 1054006718 /nfs/dbraw/zinc/00/67/18/1054006718.db2.gz OJCFABIVGNKPCZ-JTOQLSFASA-N 1 0 317.392 4.102 20 30 DIEDRO COCc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001232301968 1054017441 /nfs/dbraw/zinc/01/74/41/1054017441.db2.gz GJFUWWGKMVNCOK-UHFFFAOYSA-N 1 0 320.436 4.084 20 30 DIEDRO COCc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)cc1 ZINC001232303444 1054018204 /nfs/dbraw/zinc/01/82/04/1054018204.db2.gz GHYZGMCEUXRBDI-UHFFFAOYSA-N 1 0 319.448 4.097 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC001330069847 1054019320 /nfs/dbraw/zinc/01/93/20/1054019320.db2.gz NVDSTTXNTYMORX-HUUCEWRRSA-N 1 0 300.446 4.015 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3cccc(C(F)F)c3)cc2)CC1 ZINC001330299087 1054032520 /nfs/dbraw/zinc/03/25/20/1054032520.db2.gz OTSFDWHODBMACY-UHFFFAOYSA-N 1 0 312.363 4.469 20 30 DIEDRO C=CC[N@@H+](Cc1cncc(Br)c1C)C1CCCCC1 ZINC001232532377 1054064361 /nfs/dbraw/zinc/06/43/61/1054064361.db2.gz MPNGLQSFNRDAJP-UHFFFAOYSA-N 1 0 323.278 4.473 20 30 DIEDRO Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000848396665 1054067726 /nfs/dbraw/zinc/06/77/26/1054067726.db2.gz TWDGTPAZGULYDW-GOSISDBHSA-N 1 0 321.424 4.012 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001331307334 1054070047 /nfs/dbraw/zinc/07/00/47/1054070047.db2.gz WPCREEFGRDJFGS-JKIFEVAISA-N 1 0 306.409 4.471 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3nc4ccccc4o3)CC2)c1 ZINC001232559012 1054073877 /nfs/dbraw/zinc/07/38/77/1054073877.db2.gz KUHYYNPUNNPGBQ-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO CSCC1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000295273135 1054080596 /nfs/dbraw/zinc/08/05/96/1054080596.db2.gz VUGXNGRBIIIRDB-UQPPLGOBSA-N 1 0 318.486 4.161 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000122863636 1054111487 /nfs/dbraw/zinc/11/14/87/1054111487.db2.gz OFYALSXCNXHZBK-CYBMUJFWSA-N 1 0 316.351 4.353 20 30 DIEDRO C[C@H](COc1ccccc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000848530681 1054128562 /nfs/dbraw/zinc/12/85/62/1054128562.db2.gz DSWMGZYKVDOGTK-MRXNPFEDSA-N 1 0 308.425 4.045 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCc3ccccc3)C2)s1 ZINC001232845299 1054130039 /nfs/dbraw/zinc/13/00/39/1054130039.db2.gz SWEUTQJEDHTVJC-KRWDZBQOSA-N 1 0 310.466 4.465 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)s1 ZINC001232847407 1054130292 /nfs/dbraw/zinc/13/02/92/1054130292.db2.gz WKZAFYGTDVQKBG-INIZCTEOSA-N 1 0 318.442 4.125 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(N(C)C)cc1 ZINC001332896729 1054132177 /nfs/dbraw/zinc/13/21/77/1054132177.db2.gz BSWRWFGJMVQUJD-ZDUSSCGKSA-N 1 0 313.832 4.128 20 30 DIEDRO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001232892540 1054141455 /nfs/dbraw/zinc/14/14/55/1054141455.db2.gz OVRAAOPOFMQUTP-IBGZPJMESA-N 1 0 312.363 4.044 20 30 DIEDRO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001232892917 1054142051 /nfs/dbraw/zinc/14/20/51/1054142051.db2.gz ILRLPDLNKOGJED-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232894759 1054143407 /nfs/dbraw/zinc/14/34/07/1054143407.db2.gz DEGRNADRQJITBJ-GFCCVEGCSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(Br)c(C#N)c1 ZINC001232896908 1054143808 /nfs/dbraw/zinc/14/38/08/1054143808.db2.gz BNAKFOJIIHWDAW-UHFFFAOYSA-N 1 0 307.235 4.109 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Br)c(C#N)c1)C(C)(C)C ZINC001232897654 1054144407 /nfs/dbraw/zinc/14/44/07/1054144407.db2.gz MBDVQBYQGALYKW-UHFFFAOYSA-N 1 0 307.235 4.107 20 30 DIEDRO C=CCCCCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000848559536 1054149639 /nfs/dbraw/zinc/14/96/39/1054149639.db2.gz DVKCEUIECFNZIX-UHFFFAOYSA-N 1 0 310.482 4.158 20 30 DIEDRO C=CCCCCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000848560983 1054151177 /nfs/dbraw/zinc/15/11/77/1054151177.db2.gz UBQPCKQPFSRPMD-UHFFFAOYSA-N 1 0 315.505 4.057 20 30 DIEDRO COc1ccc(O)c([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000848566801 1054153630 /nfs/dbraw/zinc/15/36/30/1054153630.db2.gz JFVYZTGKAZWOQJ-AWEZNQCLSA-N 1 0 322.408 4.002 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(Cl)ccc3O)CCC2)cc1 ZINC000848569385 1054154796 /nfs/dbraw/zinc/15/47/96/1054154796.db2.gz ZFWDUVXVEQLABA-UHFFFAOYSA-N 1 0 312.800 4.086 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)cc1 ZINC000848574765 1054157356 /nfs/dbraw/zinc/15/73/56/1054157356.db2.gz HYRMDBYIAVMMQB-KBPBESRZSA-N 1 0 322.399 4.281 20 30 DIEDRO Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c(C#N)c1 ZINC001232963119 1054159155 /nfs/dbraw/zinc/15/91/55/1054159155.db2.gz ANVFCNYFAWRAGM-UHFFFAOYSA-N 1 0 314.432 4.427 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2C#N)cc1 ZINC001232966798 1054161392 /nfs/dbraw/zinc/16/13/92/1054161392.db2.gz WGRCHZHXVYDLDE-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO N#Cc1ccnc(SCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001472979045 1054162118 /nfs/dbraw/zinc/16/21/18/1054162118.db2.gz XGTLJSZHTHDNOA-UHFFFAOYSA-N 1 0 323.465 4.231 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2C#N)c1 ZINC001232967080 1054162256 /nfs/dbraw/zinc/16/22/56/1054162256.db2.gz ALDGOZCZPUYYBB-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(C#N)c1 ZINC001232968919 1054163777 /nfs/dbraw/zinc/16/37/77/1054163777.db2.gz RKLJNNGAFIVHKB-UHFFFAOYSA-N 1 0 315.420 4.118 20 30 DIEDRO C#CCCCCCC[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC001333745778 1054170820 /nfs/dbraw/zinc/17/08/20/1054170820.db2.gz NJVSWAODIPVQRW-FQEVSTJZSA-N 1 0 324.468 4.018 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(Cl)ncc1O ZINC001233035516 1054175524 /nfs/dbraw/zinc/17/55/24/1054175524.db2.gz FAAHHOACKNULNE-UHFFFAOYSA-N 1 0 302.805 4.019 20 30 DIEDRO Cc1cnc([C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C2CC2)s1 ZINC001334049918 1054180065 /nfs/dbraw/zinc/18/00/65/1054180065.db2.gz VFWHCNQIBLZCAC-QGZVFWFLSA-N 1 0 311.454 4.181 20 30 DIEDRO Cc1cnc([C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C2CC2)s1 ZINC001334049893 1054180091 /nfs/dbraw/zinc/18/00/91/1054180091.db2.gz VFWHCNQIBLZCAC-KRWDZBQOSA-N 1 0 311.454 4.181 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001233081001 1054182569 /nfs/dbraw/zinc/18/25/69/1054182569.db2.gz JXQFYSDVNFFWOJ-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001233081371 1054183250 /nfs/dbraw/zinc/18/32/50/1054183250.db2.gz WJFQPNHRRUBFRD-UHFFFAOYSA-N 1 0 324.468 4.038 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001233081109 1054183491 /nfs/dbraw/zinc/18/34/91/1054183491.db2.gz OPTFRELIRMGMBK-FQEVSTJZSA-N 1 0 304.437 4.321 20 30 DIEDRO COc1cccc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)c1 ZINC001233083190 1054183538 /nfs/dbraw/zinc/18/35/38/1054183538.db2.gz ABOLCNGUAMCGMM-FQEVSTJZSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001233084300 1054184009 /nfs/dbraw/zinc/18/40/09/1054184009.db2.gz ROWSWULGOBHTDA-LJQANCHMSA-N 1 0 312.363 4.482 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Br)cc(OC)c1)C(C)(C)C ZINC001233216681 1054204536 /nfs/dbraw/zinc/20/45/36/1054204536.db2.gz DMFMEEPLTASWJS-UHFFFAOYSA-N 1 0 312.251 4.244 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001233331168 1054233849 /nfs/dbraw/zinc/23/38/49/1054233849.db2.gz KKARZLRAGNWOTG-UHFFFAOYSA-N 1 0 304.437 4.403 20 30 DIEDRO C#CC[N@H+](Cc1cc2cccnc2s1)[C@@H]1CCc2ccccc21 ZINC001233348903 1054241100 /nfs/dbraw/zinc/24/11/00/1054241100.db2.gz VJWHWQBPYVDNRZ-LJQANCHMSA-N 1 0 318.445 4.419 20 30 DIEDRO C=C(C)CN(CC)Cc1cc(Br)c(C)nc1Cl ZINC001233468137 1054281160 /nfs/dbraw/zinc/28/11/60/1054281160.db2.gz HTHIRGRJKYQBOB-UHFFFAOYSA-N 1 0 317.658 4.204 20 30 DIEDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233513440 1054286061 /nfs/dbraw/zinc/28/60/61/1054286061.db2.gz WQSOFGQNUGOWLR-OAQYLSRUSA-N 1 0 320.436 4.477 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001440205166 1054341183 /nfs/dbraw/zinc/34/11/83/1054341183.db2.gz VYPFEGDLPFELPF-WJFTUGDTSA-N 1 0 322.537 4.220 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000849025414 1054344338 /nfs/dbraw/zinc/34/43/38/1054344338.db2.gz AENIVPQYZUTESO-KYJSFNMBSA-N 1 0 315.461 4.118 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1cccc(C)c1)c1ccc(Cl)cc1F ZINC000849051914 1054360628 /nfs/dbraw/zinc/36/06/28/1054360628.db2.gz ZLKCEQOGBVNEOO-INIZCTEOSA-N 1 0 315.779 4.098 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001340640207 1054363481 /nfs/dbraw/zinc/36/34/81/1054363481.db2.gz XSJICYPPLVJZPS-OFLPRAFFSA-N 1 0 322.456 4.072 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001340640129 1054364306 /nfs/dbraw/zinc/36/43/06/1054364306.db2.gz XSJICYPPLVJZPS-JCYILVPMSA-N 1 0 322.456 4.072 20 30 DIEDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233860985 1054376046 /nfs/dbraw/zinc/37/60/46/1054376046.db2.gz KSHDVYHAGLTFRJ-HXUWFJFHSA-N 1 0 306.409 4.087 20 30 DIEDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233861584 1054376846 /nfs/dbraw/zinc/37/68/46/1054376846.db2.gz UTMVFTKIQZXUGU-HXUWFJFHSA-N 1 0 306.409 4.088 20 30 DIEDRO c1ccc(NC(=[NH+]C[C@H]2CCCSC2)N2CCCCC2)cc1 ZINC000849077809 1054376600 /nfs/dbraw/zinc/37/66/00/1054376600.db2.gz PLDWLAYCZGHWFG-MRXNPFEDSA-N 1 0 317.502 4.084 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1cccc(CC)c1)c1ccc(Cl)cc1 ZINC000849085159 1054378616 /nfs/dbraw/zinc/37/86/16/1054378616.db2.gz ZPRZKTPJIUFORT-QGZVFWFLSA-N 1 0 311.816 4.213 20 30 DIEDRO C#CC[C@H](C)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC001233941652 1054396268 /nfs/dbraw/zinc/39/62/68/1054396268.db2.gz MOOBJSDVMNTRNE-ZHODDXKCSA-N 1 0 323.480 4.165 20 30 DIEDRO CCCCCCCC[C@@H]([NH3+])C(=O)Nc1c(C)noc1C(C)C ZINC001341764990 1054408581 /nfs/dbraw/zinc/40/85/81/1054408581.db2.gz KPSUZSXGNUXENU-CQSZACIVSA-N 1 0 309.454 4.123 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC001341745858 1054409128 /nfs/dbraw/zinc/40/91/28/1054409128.db2.gz LUANTAHLTSHSIV-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2ccc3cc(C#N)[nH]c3c2)CC1(C)C ZINC001233996631 1054410537 /nfs/dbraw/zinc/41/05/37/1054410537.db2.gz OFEXETGZBOEMKI-UHFFFAOYSA-N 1 0 311.429 4.070 20 30 DIEDRO C=CCCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000172176277 1054413806 /nfs/dbraw/zinc/41/38/06/1054413806.db2.gz MFEFSBVRFVDCQC-UHFFFAOYSA-N 1 0 324.262 4.011 20 30 DIEDRO C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC#N)c2)c2sccc21 ZINC001344430654 1054468939 /nfs/dbraw/zinc/46/89/39/1054468939.db2.gz YFSVYOAYSQFWRU-GUYCJALGSA-N 1 0 312.438 4.379 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001444207098 1054470481 /nfs/dbraw/zinc/47/04/81/1054470481.db2.gz HOHUYAKKIMNBOB-MOPGFXCFSA-N 1 0 322.537 4.460 20 30 DIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2ncccc2Cl)CC1 ZINC000733901674 1054484762 /nfs/dbraw/zinc/48/47/62/1054484762.db2.gz SPVSQWKFZAGCFJ-CZUORRHYSA-N 1 0 320.868 4.177 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000174280556 1054506609 /nfs/dbraw/zinc/50/66/09/1054506609.db2.gz SZDQKAFWTLFWCG-UHFFFAOYSA-N 1 0 300.446 4.428 20 30 DIEDRO Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc(C)c1C ZINC001234389912 1054514647 /nfs/dbraw/zinc/51/46/47/1054514647.db2.gz YICZUPKKAWQUEM-FQEVSTJZSA-N 1 0 320.436 4.137 20 30 DIEDRO CC(C)[NH+]1CCC(Oc2c(C#N)ccc(Cl)c2Cl)CC1 ZINC001234428046 1054522448 /nfs/dbraw/zinc/52/24/48/1054522448.db2.gz MNAVAPBXTGVLBE-UHFFFAOYSA-N 1 0 313.228 4.117 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)cc(C)c2)c1 ZINC000073011819 1054612895 /nfs/dbraw/zinc/61/28/95/1054612895.db2.gz RKPQNHXZEROKDP-LJQANCHMSA-N 1 0 308.425 4.274 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2ccccc2)c1O ZINC001234996643 1054638523 /nfs/dbraw/zinc/63/85/23/1054638523.db2.gz LHKWIJZZAFWLST-OHFIKTQHSA-N 1 0 318.420 4.326 20 30 DIEDRO CCCCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001450808016 1054661091 /nfs/dbraw/zinc/66/10/91/1054661091.db2.gz XXULRAPCOVVECB-HKUYNNGSSA-N 1 0 316.489 4.126 20 30 DIEDRO CCCCCCCCCN1CC(F)(F)CC12CC[NH2+]CC2 ZINC001235134186 1054661808 /nfs/dbraw/zinc/66/18/08/1054661808.db2.gz UQRSXEVFNXPUAI-UHFFFAOYSA-N 1 0 302.453 4.200 20 30 DIEDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185823958 1054699747 /nfs/dbraw/zinc/69/97/47/1054699747.db2.gz ZFOWPWZUXUYWTA-RBUKOAKNSA-N 1 0 311.473 4.095 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)N(C)Cc1nc2ccccc2s1 ZINC000122875632 1054709089 /nfs/dbraw/zinc/70/90/89/1054709089.db2.gz QPVCKABJCVQGAO-ZDUSSCGKSA-N 1 0 307.422 4.361 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@@H]2Cc3cc(OC)ccc3O2)CCCC1(C)C ZINC001473432738 1054719674 /nfs/dbraw/zinc/71/96/74/1054719674.db2.gz OUJQPLXPYNEFMM-HKUYNNGSSA-N 1 0 315.457 4.065 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCC1(C)C ZINC001473431576 1054720069 /nfs/dbraw/zinc/72/00/69/1054720069.db2.gz GVSQXOHIGJGVOI-QGZVFWFLSA-N 1 0 313.401 4.033 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCC1(C)C ZINC001473431575 1054720117 /nfs/dbraw/zinc/72/01/17/1054720117.db2.gz GVSQXOHIGJGVOI-KRWDZBQOSA-N 1 0 313.401 4.033 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccccc1 ZINC000180050763 1054728540 /nfs/dbraw/zinc/72/85/40/1054728540.db2.gz GYOPNHMQDKJOKG-OAHLLOKOSA-N 1 0 323.362 4.236 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccccc1 ZINC000180039862 1054728927 /nfs/dbraw/zinc/72/89/27/1054728927.db2.gz JZAXEAYGEWRIGD-QGZVFWFLSA-N 1 0 312.388 4.061 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180060627 1054732094 /nfs/dbraw/zinc/73/20/94/1054732094.db2.gz OKKFVRZCDAHDDV-HZPDHXFCSA-N 1 0 313.363 4.073 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2CC#N)c1 ZINC001235530469 1054736688 /nfs/dbraw/zinc/73/66/88/1054736688.db2.gz VBZSWXSNLIKRTJ-HXUWFJFHSA-N 1 0 306.409 4.098 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1CC#N ZINC001235522353 1054738390 /nfs/dbraw/zinc/73/83/90/1054738390.db2.gz DMAMKKXGOUMJDW-IBGZPJMESA-N 1 0 306.409 4.098 20 30 DIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2CC#N)cc1 ZINC001235522692 1054738431 /nfs/dbraw/zinc/73/84/31/1054738431.db2.gz IKQDTPYVQRQZGZ-OAQYLSRUSA-N 1 0 320.436 4.488 20 30 DIEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001473544174 1054738375 /nfs/dbraw/zinc/73/83/75/1054738375.db2.gz MXWYIKARFLNZAE-LLVKDONJSA-N 1 0 307.235 4.084 20 30 DIEDRO C=C(Br)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC001473567197 1054748983 /nfs/dbraw/zinc/74/89/83/1054748983.db2.gz ZGSYKGSIUCZICE-OAHLLOKOSA-N 1 0 312.226 4.131 20 30 DIEDRO C=CCCC(C)(C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001453966113 1054752137 /nfs/dbraw/zinc/75/21/37/1054752137.db2.gz DDAJWSQIYKCEIV-UHFFFAOYSA-N 1 0 314.473 4.147 20 30 DIEDRO N#CCC[N@H+](Cc1cccc2c1CCN2)C1CCCCCCC1 ZINC001235664434 1054764201 /nfs/dbraw/zinc/76/42/01/1054764201.db2.gz SWXNEZZZIFHFLY-UHFFFAOYSA-N 1 0 311.473 4.483 20 30 DIEDRO C=CCC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180603687 1054771287 /nfs/dbraw/zinc/77/12/87/1054771287.db2.gz NGNOGERFWHYABZ-AWEZNQCLSA-N 1 0 312.388 4.305 20 30 DIEDRO Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001235787194 1054806137 /nfs/dbraw/zinc/80/61/37/1054806137.db2.gz BXJPKKSHYDEIGS-CQSZACIVSA-N 1 0 321.262 4.192 20 30 DIEDRO CCCCCCCOc1ccc(CN2CCC([NH2+]C)CC2)cc1 ZINC001235787991 1054807371 /nfs/dbraw/zinc/80/73/71/1054807371.db2.gz ATCBUUQENXDZMN-UHFFFAOYSA-N 1 0 318.505 4.220 20 30 DIEDRO Cc1nc2cc(C[N@@H+](C)Cc3cccc(C#N)c3)ccc2s1 ZINC001235859074 1054824986 /nfs/dbraw/zinc/82/49/86/1054824986.db2.gz OVNWLUJOCXJKIG-UHFFFAOYSA-N 1 0 307.422 4.108 20 30 DIEDRO C=CCCCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000849110661 1054834502 /nfs/dbraw/zinc/83/45/02/1054834502.db2.gz NTPGTTLNHHHTAX-SNVBAGLBSA-N 1 0 300.233 4.135 20 30 DIEDRO C=C(Cl)CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000849101342 1054837391 /nfs/dbraw/zinc/83/73/91/1054837391.db2.gz OQJZQYHQVLOPBE-UHFFFAOYSA-N 1 0 301.777 4.168 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000624037760 1054861079 /nfs/dbraw/zinc/86/10/79/1054861079.db2.gz HCABAZABPYYKSI-INIZCTEOSA-N 1 0 302.462 4.212 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1ccco1 ZINC000624032451 1054861329 /nfs/dbraw/zinc/86/13/29/1054861329.db2.gz MUXIAJZHPCNVTJ-IEBWSBKVSA-N 1 0 315.413 4.273 20 30 DIEDRO Cc1cc(C)c(C#N)c(-c2cccc(C[NH+]3CCCCC3)c2F)n1 ZINC001236002422 1054888688 /nfs/dbraw/zinc/88/86/88/1054888688.db2.gz JYTQYPUCOSONML-UHFFFAOYSA-N 1 0 323.415 4.362 20 30 DIEDRO Cc1ccc(C#N)c(-c2cccc(C[NH+]3CCCCC3)c2F)n1 ZINC001236003346 1054889150 /nfs/dbraw/zinc/88/91/50/1054889150.db2.gz ZCCZVYUOYNLPLT-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO Cc1ccnc(C#N)c1-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236019905 1054900717 /nfs/dbraw/zinc/90/07/17/1054900717.db2.gz WKFSEOYRMRLJSY-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1cc(F)c(Cl)cc1Cl ZINC000181646987 1054926736 /nfs/dbraw/zinc/92/67/36/1054926736.db2.gz UCZDHFWRDAGASP-SECBINFHSA-N 1 0 321.248 4.430 20 30 DIEDRO Cc1ccnc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1C#N ZINC001236232622 1055022413 /nfs/dbraw/zinc/02/24/13/1055022413.db2.gz JKNDGEGRMXSZFR-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO Cc1cnc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c(C#N)c1 ZINC001236235111 1055024709 /nfs/dbraw/zinc/02/47/09/1055024709.db2.gz UPSRSYINRKOROQ-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO Cc1ccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c(C#N)n1 ZINC001236249318 1055032881 /nfs/dbraw/zinc/03/28/81/1055032881.db2.gz SJJGZTDYEGDZDL-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO N#Cc1cc(C#N)cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001236249977 1055034177 /nfs/dbraw/zinc/03/41/77/1055034177.db2.gz FJHCWRHBFSYNGR-UHFFFAOYSA-N 1 0 319.383 4.222 20 30 DIEDRO N#Cc1ccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c(C#N)c1 ZINC001236251945 1055035182 /nfs/dbraw/zinc/03/51/82/1055035182.db2.gz UKROXSBGEUMDIX-UHFFFAOYSA-N 1 0 319.383 4.222 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2nc(C)c(C)cc2C#N)c1 ZINC001236316497 1055053076 /nfs/dbraw/zinc/05/30/76/1055053076.db2.gz FHNFJAFMZNPNOC-UHFFFAOYSA-N 1 0 311.404 4.218 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(C#N)cc2C#N)c1 ZINC001236325761 1055057090 /nfs/dbraw/zinc/05/70/90/1055057090.db2.gz MSKVQIKEMUPPBS-UHFFFAOYSA-N 1 0 307.372 4.078 20 30 DIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(CC#N)cc3)CC2)C1 ZINC000184746698 1055080931 /nfs/dbraw/zinc/08/09/31/1055080931.db2.gz ZCEXALLABHCGEV-JXFKEZNVSA-N 1 0 311.473 4.208 20 30 DIEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1nc(C2CCCCC2)no1 ZINC000185220141 1055088533 /nfs/dbraw/zinc/08/85/33/1055088533.db2.gz NJQPBPDOLLJRAX-ZDUSSCGKSA-N 1 0 304.438 4.098 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2cc(OC3CCC3)cc(F)c2C#N)c1 ZINC001236424484 1055107106 /nfs/dbraw/zinc/10/71/06/1055107106.db2.gz JBTNIBCHYUJAES-UHFFFAOYSA-N 1 0 324.399 4.357 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ncc3c(c2C#N)CCCC3)cc1 ZINC001236429693 1055110177 /nfs/dbraw/zinc/11/01/77/1055110177.db2.gz NBGFXBHMPCZMMX-UHFFFAOYSA-N 1 0 319.452 4.245 20 30 DIEDRO COc1cc(-c2ccc(C[NH2+]CC(C)C)cc2)cc(F)c1C#N ZINC001236448663 1055119561 /nfs/dbraw/zinc/11/95/61/1055119561.db2.gz XKHIOIGKBKAGSN-UHFFFAOYSA-N 1 0 312.388 4.119 20 30 DIEDRO Cc1cnc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C#N)c1 ZINC001236470564 1055129007 /nfs/dbraw/zinc/12/90/07/1055129007.db2.gz ZSSGOHPHHDAQMA-UXHICEINSA-N 1 0 315.420 4.082 20 30 DIEDRO Cc1cc(C#N)cnc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001236469969 1055130062 /nfs/dbraw/zinc/13/00/62/1055130062.db2.gz PABWFTZTNQODMC-UXHICEINSA-N 1 0 315.420 4.082 20 30 DIEDRO N#Cc1ccc(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)c(F)c1 ZINC001236534828 1055166921 /nfs/dbraw/zinc/16/69/21/1055166921.db2.gz MTRHXVTVHWKOGY-UHFFFAOYSA-N 1 0 316.326 4.238 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000764548669 1055207012 /nfs/dbraw/zinc/20/70/12/1055207012.db2.gz USYKLAVWYJYTAK-KBPBESRZSA-N 1 0 315.363 4.389 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cccc3sccc31)C2 ZINC001236687833 1055227944 /nfs/dbraw/zinc/22/79/44/1055227944.db2.gz STGOOMUWKUJYTJ-UHFFFAOYSA-N 1 0 304.418 4.331 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2cccc3ccoc32)CC1 ZINC001236732598 1055245142 /nfs/dbraw/zinc/24/51/42/1055245142.db2.gz JWWCSHOKJXWBCH-UHFFFAOYSA-N 1 0 316.404 4.490 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1ccnc(Cl)c1)C(C)C ZINC000764874515 1055280148 /nfs/dbraw/zinc/28/01/48/1055280148.db2.gz HRIAQGUQEKITSB-WBVHZDCISA-N 1 0 321.896 4.084 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc2ccccc2cc1O ZINC001236838178 1055288765 /nfs/dbraw/zinc/28/87/65/1055288765.db2.gz WWPXQRIJPBIXTN-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(Br)c1)[C@H](C)CC ZINC001236854307 1055292370 /nfs/dbraw/zinc/29/23/70/1055292370.db2.gz IQJGKHZQIHREJV-GFCCVEGCSA-N 1 0 309.251 4.331 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)ccc1SC ZINC000765016656 1055315394 /nfs/dbraw/zinc/31/53/94/1055315394.db2.gz XROMRVUFKLNCFJ-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(N2CCCCC2)cc1 ZINC000765015920 1055318951 /nfs/dbraw/zinc/31/89/51/1055318951.db2.gz RZLCQNXKXXEVGG-QGZVFWFLSA-N 1 0 319.452 4.399 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(C)c3C)nc2)C1 ZINC001236988681 1055326610 /nfs/dbraw/zinc/32/66/10/1055326610.db2.gz JNNFOCLEEKJTMX-SFHVURJKSA-N 1 0 304.437 4.211 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001237015973 1055339362 /nfs/dbraw/zinc/33/93/62/1055339362.db2.gz GFGJHGLWGJQTAG-UHFFFAOYSA-N 1 0 302.368 4.425 20 30 DIEDRO CCCCCCCCC[C@@H](C)CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC001587747305 1055357054 /nfs/dbraw/zinc/35/70/54/1055357054.db2.gz KMEFZQKELBIORI-QGZVFWFLSA-N 1 0 310.526 4.364 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000765343663 1055366544 /nfs/dbraw/zinc/36/65/44/1055366544.db2.gz LWCIRKHMVCCGDD-YOEHRIQHSA-N 1 0 309.837 4.038 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000765354173 1055367987 /nfs/dbraw/zinc/36/79/87/1055367987.db2.gz LSMYTFCVHKLXJV-GDBMZVCRSA-N 1 0 302.418 4.039 20 30 DIEDRO C[C@H](CSC(C)(C)C)[NH2+]CCSCc1ccccc1C#N ZINC000765361156 1055371228 /nfs/dbraw/zinc/37/12/28/1055371228.db2.gz YGKBPOFZIKZTGL-CQSZACIVSA-N 1 0 322.543 4.301 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC(C)(C)C)c1 ZINC001237101614 1055371370 /nfs/dbraw/zinc/37/13/70/1055371370.db2.gz ZVPLMTASJQUNKY-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C)ccc32)cc1 ZINC000765427416 1055389233 /nfs/dbraw/zinc/38/92/33/1055389233.db2.gz OJVPWYKBUAJHSA-HRAATJIYSA-N 1 0 305.421 4.345 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C)ccc32)cc1 ZINC000765427419 1055389573 /nfs/dbraw/zinc/38/95/73/1055389573.db2.gz OJVPWYKBUAJHSA-KKSFZXQISA-N 1 0 305.421 4.345 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc2cccc(Br)c2n1 ZINC001237176567 1055394228 /nfs/dbraw/zinc/39/42/28/1055394228.db2.gz KOADTSNKJHIFDP-UHFFFAOYSA-N 1 0 317.230 4.171 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2)cc1 ZINC000765460732 1055395815 /nfs/dbraw/zinc/39/58/15/1055395815.db2.gz JRVQJGFTTDALTD-JKSUJKDBSA-N 1 0 309.409 4.119 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(Cl)nc1OC ZINC001237242800 1055408044 /nfs/dbraw/zinc/40/80/44/1055408044.db2.gz FYRMLVPRZOXAMR-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC2(COC)CC2)cc1 ZINC000842892324 1055416077 /nfs/dbraw/zinc/41/60/77/1055416077.db2.gz AYQWBTLCTQLIFH-HNNXBMFYSA-N 1 0 323.864 4.285 20 30 DIEDRO COc1ccc2c(N[C@H](C)c3cccc(C#N)c3)cc[nH+]c2c1 ZINC000765512895 1055419866 /nfs/dbraw/zinc/41/98/66/1055419866.db2.gz JLXUMKISZJSHIQ-CYBMUJFWSA-N 1 0 303.365 4.288 20 30 DIEDRO COc1ccc(-c2ccccc2)c(CN2CCC[C@H](C#N)C2)c1 ZINC001237306879 1055424473 /nfs/dbraw/zinc/42/44/73/1055424473.db2.gz LMMRDKUUUGYEPB-MRXNPFEDSA-N 1 0 306.409 4.098 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CC1)NCc1ccccc12 ZINC001237359013 1055439556 /nfs/dbraw/zinc/43/95/56/1055439556.db2.gz LPNCWRGUXAIBKZ-UHFFFAOYSA-N 1 0 300.490 4.441 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(CC(=O)OCC)cc1)C1CCCCC1 ZINC001237484978 1055457946 /nfs/dbraw/zinc/45/79/46/1055457946.db2.gz IVSHQEJZQBXXLC-UHFFFAOYSA-N 1 0 315.457 4.113 20 30 DIEDRO CC[N@H+](Cc1cccs1)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472021 1055458664 /nfs/dbraw/zinc/45/86/64/1055458664.db2.gz AYRCBDPLAPBABK-UHFFFAOYSA-N 1 0 309.438 4.134 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237528623 1055468904 /nfs/dbraw/zinc/46/89/04/1055468904.db2.gz CYRWOHHNDQCTKW-SFHVURJKSA-N 1 0 300.352 4.420 20 30 DIEDRO C=CC[N@@H+](Cc1cnc(C)c(Br)c1)C1CCCCC1 ZINC001237563405 1055476154 /nfs/dbraw/zinc/47/61/54/1055476154.db2.gz GHEQSDMYBVHZDX-UHFFFAOYSA-N 1 0 323.278 4.473 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2csc(C#N)c2)c1 ZINC000921538565 1055486104 /nfs/dbraw/zinc/48/61/04/1055486104.db2.gz SNSXDLBIMWLTIK-ZDUSSCGKSA-N 1 0 300.427 4.258 20 30 DIEDRO CC(C)CC[NH+](CCC(C)C)Cc1cn2cc(C#N)ccc2n1 ZINC001237616761 1055486257 /nfs/dbraw/zinc/48/62/57/1055486257.db2.gz GWKRYLCHCMYODX-UHFFFAOYSA-N 1 0 312.461 4.100 20 30 DIEDRO Cc1ccnc2cccc(C[N@H+](C)Cc3cccc(C#N)c3)c12 ZINC001237637570 1055491363 /nfs/dbraw/zinc/49/13/63/1055491363.db2.gz UVEFZMKSKQVLGT-UHFFFAOYSA-N 1 0 301.393 4.047 20 30 DIEDRO CCOc1cccc(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC001620866915 1055493446 /nfs/dbraw/zinc/49/34/46/1055493446.db2.gz OHLDUSPFCJIZKE-UHFFFAOYSA-N 1 0 322.452 4.219 20 30 DIEDRO CCC[N@H+](CCC#N)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237645267 1055494481 /nfs/dbraw/zinc/49/44/81/1055494481.db2.gz IIEYUTXGAGYHCC-UHFFFAOYSA-N 1 0 312.388 4.324 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237643700 1055495036 /nfs/dbraw/zinc/49/50/36/1055495036.db2.gz AVPKRUCSJLEOTC-HNNXBMFYSA-N 1 0 309.384 4.044 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(C3CC3)CC2)cc1OC ZINC001620870840 1055498325 /nfs/dbraw/zinc/49/83/25/1055498325.db2.gz ZFVUGWMYRFAWSK-UHFFFAOYSA-N 1 0 321.848 4.193 20 30 DIEDRO C=CC[C@H](CO)C[NH2+]Cc1ccccc1-c1ccc(C)cc1C ZINC001620884706 1055509316 /nfs/dbraw/zinc/50/93/16/1055509316.db2.gz RNCCOGKXLOFCCH-SFHVURJKSA-N 1 0 309.453 4.245 20 30 DIEDRO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1OC(C)C ZINC001237710584 1055513018 /nfs/dbraw/zinc/51/30/18/1055513018.db2.gz DSNZWGIDFDRFIA-UHFFFAOYSA-N 1 0 308.425 4.286 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001237751904 1055521383 /nfs/dbraw/zinc/52/13/83/1055521383.db2.gz AIHNRTWZVCYMHV-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001237751902 1055521432 /nfs/dbraw/zinc/52/14/32/1055521432.db2.gz AIHNRTWZVCYMHV-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO C=CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001621270327 1055524982 /nfs/dbraw/zinc/52/49/82/1055524982.db2.gz SAVJAQLVUXAWHZ-INIZCTEOSA-N 1 0 324.509 4.358 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)C1 ZINC001237774461 1055528454 /nfs/dbraw/zinc/52/84/54/1055528454.db2.gz QTXJIVPOCJDQHY-CYBMUJFWSA-N 1 0 315.804 4.121 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCC(C)(C)C2)cc(OC)c1O ZINC001620904584 1055529073 /nfs/dbraw/zinc/52/90/73/1055529073.db2.gz JTEKVLRZSABXRW-MRXNPFEDSA-N 1 0 303.446 4.188 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC001620916910 1055539183 /nfs/dbraw/zinc/53/91/83/1055539183.db2.gz JTMLFKXXPOAUJL-FXAWDEMLSA-N 1 0 311.425 4.326 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cccc(-c2ccccn2)n1 ZINC001237836329 1055540488 /nfs/dbraw/zinc/54/04/88/1055540488.db2.gz KEZCPARVVSQCQE-UHFFFAOYSA-N 1 0 315.420 4.332 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC001620923719 1055543853 /nfs/dbraw/zinc/54/38/53/1055543853.db2.gz SNPDHYCZDJCJRO-UHFFFAOYSA-N 1 0 320.770 4.397 20 30 DIEDRO C#CCCC[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001620926611 1055544964 /nfs/dbraw/zinc/54/49/64/1055544964.db2.gz ZGRBRFGVZGWJEE-UHFFFAOYSA-N 1 0 318.779 4.169 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)CCCC1 ZINC001620935148 1055548768 /nfs/dbraw/zinc/54/87/68/1055548768.db2.gz CPRSOZINUZETJB-UHFFFAOYSA-N 1 0 309.457 4.313 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)ccc1OC ZINC001620938242 1055551394 /nfs/dbraw/zinc/55/13/94/1055551394.db2.gz SFPQNGWKKNUDDU-IRXDYDNUSA-N 1 0 303.446 4.032 20 30 DIEDRO C=CC[N@@H+](Cc1cnc(C(F)(F)F)s1)C1CCCCC1 ZINC001237947803 1055563139 /nfs/dbraw/zinc/56/31/39/1055563139.db2.gz HHKFLLBKCIVVKP-UHFFFAOYSA-N 1 0 304.381 4.483 20 30 DIEDRO N#Cc1ccc(CN2CCSc3ccccc3C2)c(Cl)c1 ZINC001238084995 1055603343 /nfs/dbraw/zinc/60/33/43/1055603343.db2.gz SMIROQVNEQHROL-UHFFFAOYSA-N 1 0 314.841 4.320 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(Cl)c(C#N)c2)cc1 ZINC001238192387 1055617603 /nfs/dbraw/zinc/61/76/03/1055617603.db2.gz RZBXOCYGSVWBPH-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO C=CCC1(C(=O)NCCC2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001595653232 1055618494 /nfs/dbraw/zinc/61/84/94/1055618494.db2.gz ATIWVWZPZCZBSU-UHFFFAOYSA-N 1 0 320.521 4.140 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(C)cc1Br ZINC001238280409 1055634249 /nfs/dbraw/zinc/63/42/49/1055634249.db2.gz BALTYFPKESZCIX-AWEZNQCLSA-N 1 0 321.262 4.192 20 30 DIEDRO COc1cc(C[N@H+](Cc2ccccc2)C2CCC2)ccc1C#N ZINC001238416059 1055653679 /nfs/dbraw/zinc/65/36/79/1055653679.db2.gz HVCGFACHHCPUIG-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CC(C)(C)CC#N ZINC001620964741 1055667314 /nfs/dbraw/zinc/66/73/14/1055667314.db2.gz DOMHSNRGEUEYPD-OAHLLOKOSA-N 1 0 319.468 4.337 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238558720 1055687599 /nfs/dbraw/zinc/68/75/99/1055687599.db2.gz PLFWUWHEHKBHOD-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cnc1-c1ccccc1 ZINC001238615414 1055699030 /nfs/dbraw/zinc/69/90/30/1055699030.db2.gz ORYWZOGMQWSZFO-KRWDZBQOSA-N 1 0 305.425 4.183 20 30 DIEDRO Cc1cnc(-c2ccccc2)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001238627005 1055703759 /nfs/dbraw/zinc/70/37/59/1055703759.db2.gz WGNIWIGYSHFERB-IRTIRVBGSA-N 1 0 317.436 4.324 20 30 DIEDRO N#CCC1CC[NH+](Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001238663465 1055712606 /nfs/dbraw/zinc/71/26/06/1055712606.db2.gz ZWDFODOMFBZVMN-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO C=CCC1(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CCCCC1 ZINC001565606731 1055713385 /nfs/dbraw/zinc/71/33/85/1055713385.db2.gz GRNSPPWXJJMLDF-GOSISDBHSA-N 1 0 322.537 4.386 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001620968497 1055721559 /nfs/dbraw/zinc/72/15/59/1055721559.db2.gz YSMDIXWIUHVXMN-SFTDATJTSA-N 1 0 321.464 4.330 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001538854002 1055736711 /nfs/dbraw/zinc/73/67/11/1055736711.db2.gz YQWBTGHFNGLXMP-KSZLIROESA-N 1 0 310.526 4.172 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)cc(C)c1OC(C)C ZINC001238752477 1055741276 /nfs/dbraw/zinc/74/12/76/1055741276.db2.gz ZBTDJCIVJDBPGZ-UHFFFAOYSA-N 1 0 300.446 4.216 20 30 DIEDRO CCc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)ccc1C#N ZINC001238778743 1055750594 /nfs/dbraw/zinc/75/05/94/1055750594.db2.gz QELIODBNRBLSNI-HXUWFJFHSA-N 1 0 320.436 4.466 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001566282126 1055757924 /nfs/dbraw/zinc/75/79/24/1055757924.db2.gz JFXPDBYKNRKYSI-RBUKOAKNSA-N 1 0 322.537 4.460 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc(C3CC3)cc2)CC[NH2+]CC1 ZINC001238837547 1055759776 /nfs/dbraw/zinc/75/97/76/1055759776.db2.gz KQEJMFIOQBAQQD-UHFFFAOYSA-N 1 0 302.421 4.376 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)[C@H]([NH3+])CC2 ZINC001238845400 1055766136 /nfs/dbraw/zinc/76/61/36/1055766136.db2.gz NLHKYYLHKQIEGP-MRXNPFEDSA-N 1 0 302.299 4.190 20 30 DIEDRO N#CC1(c2ccccc2-c2cccc(Cl)c2F)CC[NH2+]CC1 ZINC001238959783 1055803468 /nfs/dbraw/zinc/80/34/68/1055803468.db2.gz IEIAECBCQDFKIR-UHFFFAOYSA-N 1 0 314.791 4.291 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2cnccc2c1 ZINC001620974717 1055816028 /nfs/dbraw/zinc/81/60/28/1055816028.db2.gz UWTYSODHURKUIC-OAQYLSRUSA-N 1 0 313.404 4.274 20 30 DIEDRO Cc1ccc(C[NH+]2CCCCC2)cc1-c1cnc(C#N)c(F)c1 ZINC001238993697 1055816090 /nfs/dbraw/zinc/81/60/90/1055816090.db2.gz ZTFBECCMTQNGBY-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC001649060852 1055818362 /nfs/dbraw/zinc/81/83/62/1055818362.db2.gz SDGVNUVTVJDEAF-LJQANCHMSA-N 1 0 308.425 4.068 20 30 DIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(C[NH3+])c2)c1 ZINC001239188187 1055842904 /nfs/dbraw/zinc/84/29/04/1055842904.db2.gz AHDPRMUTUWGMON-UHFFFAOYSA-N 1 0 323.440 4.235 20 30 DIEDRO CCCCCCCNC(=O)Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001239187907 1055843129 /nfs/dbraw/zinc/84/31/29/1055843129.db2.gz BULJNWBEFKIJSY-UHFFFAOYSA-N 1 0 317.477 4.246 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001239276200 1055857001 /nfs/dbraw/zinc/85/70/01/1055857001.db2.gz ACBUKLKZJQUPDU-ZWKOTPCHSA-N 1 0 323.525 4.053 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(/C=C/c2ccc(C#N)cc2)nc1 ZINC001239292530 1055861262 /nfs/dbraw/zinc/86/12/62/1055861262.db2.gz WYHMZOCGHKCMMC-WAEYIKQSSA-N 1 0 303.409 4.280 20 30 DIEDRO CCCCCCCOC(=O)Nc1cc([C@H]2CCCC[NH2+]2)no1 ZINC001239312330 1055864360 /nfs/dbraw/zinc/86/43/60/1055864360.db2.gz LXDZBPMYRBGMBE-CYBMUJFWSA-N 1 0 309.410 4.008 20 30 DIEDRO CCCCCCCCCCOC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001239319169 1055868422 /nfs/dbraw/zinc/86/84/22/1055868422.db2.gz XOKGSEWKVDQDMZ-FVQHAEBGSA-N 1 0 310.482 4.136 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC001620978183 1055869336 /nfs/dbraw/zinc/86/93/36/1055869336.db2.gz YHEMRIKROUMHBS-ZANVPECISA-N 1 0 320.647 4.328 20 30 DIEDRO CCCCCCCCCCOC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001239319628 1055869797 /nfs/dbraw/zinc/86/97/97/1055869797.db2.gz MTJJOTHZZHITFT-UHFFFAOYSA-N 1 0 310.482 4.123 20 30 DIEDRO CCCCCCCOC(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001239327595 1055872837 /nfs/dbraw/zinc/87/28/37/1055872837.db2.gz TUZIPEMUDCPIBZ-INIZCTEOSA-N 1 0 310.482 4.138 20 30 DIEDRO CCCCCCCCOC(=O)N1CCCCC12CC[NH2+]CC2 ZINC001239331850 1055874183 /nfs/dbraw/zinc/87/41/83/1055874183.db2.gz NCVZFFJBXHFNOZ-UHFFFAOYSA-N 1 0 310.482 4.092 20 30 DIEDRO C=CCCCCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569982818 1055881512 /nfs/dbraw/zinc/88/15/12/1055881512.db2.gz FCOHRXFQVITURQ-QZTJIDSGSA-N 1 0 306.494 4.036 20 30 DIEDRO C=CCCCCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569982817 1055881560 /nfs/dbraw/zinc/88/15/60/1055881560.db2.gz FCOHRXFQVITURQ-MSOLQXFVSA-N 1 0 306.494 4.036 20 30 DIEDRO C=CCCCCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001569982820 1055881689 /nfs/dbraw/zinc/88/16/89/1055881689.db2.gz FCOHRXFQVITURQ-ZWKOTPCHSA-N 1 0 306.494 4.036 20 30 DIEDRO CCCCCCCCCCCCNC(=S)N1CC[C@@H]1[NH2+]C ZINC001239447316 1055889477 /nfs/dbraw/zinc/88/94/77/1055889477.db2.gz JIYOHTPKRUJDBR-MRXNPFEDSA-N 1 0 313.555 4.033 20 30 DIEDRO COc1cc(C[NH2+]C[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1C#N ZINC001620758815 1055930519 /nfs/dbraw/zinc/93/05/19/1055930519.db2.gz YHJBRHGJFPKADR-MNEFBYGVSA-N 1 0 314.473 4.365 20 30 DIEDRO C=C(C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccccc1 ZINC001620772996 1055941000 /nfs/dbraw/zinc/94/10/00/1055941000.db2.gz HUWVLWJIUGCPQW-UHFFFAOYSA-N 1 0 323.436 4.445 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)C2(C)CC2)cc1OC ZINC001620773511 1055941011 /nfs/dbraw/zinc/94/10/11/1055941011.db2.gz HBVCPWKEOMPZMU-LBPRGKRZSA-N 1 0 309.837 4.192 20 30 DIEDRO Cc1cc(C)c(-c2ccccc2C2(C#N)CC[NH2+]CC2)c(C)c1 ZINC001239549659 1055947510 /nfs/dbraw/zinc/94/75/10/1055947510.db2.gz GQOIKELEEIGTCH-UHFFFAOYSA-N 1 0 304.437 4.424 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC001620781007 1055948950 /nfs/dbraw/zinc/94/89/50/1055948950.db2.gz LEJKRUQVGZJQEB-HWWDLCQESA-N 1 0 317.473 4.347 20 30 DIEDRO C=CCC1([NH2+]Cc2ccncc2Br)CCCCC1 ZINC001620499406 1055957859 /nfs/dbraw/zinc/95/78/59/1055957859.db2.gz ONSXXAJUYKOFCX-UHFFFAOYSA-N 1 0 309.251 4.213 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)cc1 ZINC001620987146 1055959885 /nfs/dbraw/zinc/95/98/85/1055959885.db2.gz KWHJNUFMAAVOBC-CQSZACIVSA-N 1 0 307.384 4.002 20 30 DIEDRO C=CCCC1(C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CCCC1 ZINC001621004154 1055971042 /nfs/dbraw/zinc/97/10/42/1055971042.db2.gz LIUPMMWDBJQWSO-GVDBMIGSSA-N 1 0 307.478 4.080 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(OCCC)c2)CCCC1 ZINC001621006292 1055973290 /nfs/dbraw/zinc/97/32/90/1055973290.db2.gz DTVHRWZTLFEOFB-UHFFFAOYSA-N 1 0 303.446 4.463 20 30 DIEDRO CCCCCCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC001620699257 1055980869 /nfs/dbraw/zinc/98/08/69/1055980869.db2.gz JSZCXOMGUBCYQI-UHFFFAOYSA-N 1 0 320.496 4.393 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1C[C@H](Sc2ccccc2)C1 ZINC001621023630 1055989187 /nfs/dbraw/zinc/98/91/87/1055989187.db2.gz SMSNGLZZODHYCU-UAPYVXQJSA-N 1 0 323.461 4.112 20 30 DIEDRO Cc1cc(C#N)cc(C)c1CNc1ccc(C[NH+]2CCCC2)cc1 ZINC001620733796 1055989200 /nfs/dbraw/zinc/98/92/00/1055989200.db2.gz WEOUIOOSMBPROP-UHFFFAOYSA-N 1 0 319.452 4.383 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCCc2c(cccc2OC)C1)c1ccncc1 ZINC001620799770 1055994670 /nfs/dbraw/zinc/99/46/70/1055994670.db2.gz KIMNTKGSQDHENP-ICSRJNTNSA-N 1 0 322.452 4.245 20 30 DIEDRO Cc1cc(C[NH2+]CCOc2cccc(C(C)(C)C)c2)ccc1C#N ZINC001620801517 1055996570 /nfs/dbraw/zinc/99/65/70/1055996570.db2.gz GJAKXHYRLJOGAR-UHFFFAOYSA-N 1 0 322.452 4.333 20 30 DIEDRO C[C@H]1CC([NH2+]Cc2cc(C#N)ccc2Br)C[C@H](C)C1 ZINC001620806831 1056002698 /nfs/dbraw/zinc/00/26/98/1056002698.db2.gz ZMTZXFPUHAENMV-VXGBXAGGSA-N 1 0 321.262 4.235 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccccc1 ZINC001621048463 1056008339 /nfs/dbraw/zinc/00/83/39/1056008339.db2.gz LWGKZMPQCZGBLX-LJQANCHMSA-N 1 0 323.484 4.486 20 30 DIEDRO C=CCC[C@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC001602980422 1056019674 /nfs/dbraw/zinc/01/96/74/1056019674.db2.gz GOQUAUMFOVVKJF-IBGZPJMESA-N 1 0 314.473 4.099 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccccc2OC(C)(C)C)ccc1C#N ZINC001620816487 1056020091 /nfs/dbraw/zinc/02/00/91/1056020091.db2.gz HWVKSUYRLVCKRD-UHFFFAOYSA-N 1 0 308.425 4.334 20 30 DIEDRO C=CC(C)(C)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001610450214 1056074553 /nfs/dbraw/zinc/07/45/53/1056074553.db2.gz BCGCSDCEFHLTSP-WMZOPIPTSA-N 1 0 316.489 4.080 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000186323145 1056101434 /nfs/dbraw/zinc/10/14/34/1056101434.db2.gz LXCLQODDIPTPLK-NQIIRXRSSA-N 1 0 320.436 4.124 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)cc1OC ZINC000186319492 1056101452 /nfs/dbraw/zinc/10/14/52/1056101452.db2.gz IOPOHLWHKCHRSY-HNNXBMFYSA-N 1 0 324.424 4.043 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000186322694 1056102092 /nfs/dbraw/zinc/10/20/92/1056102092.db2.gz IBOJNBNFLJAJFK-UHFFFAOYSA-N 1 0 312.363 4.314 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2C)C(C)C)cc1 ZINC000186318292 1056102204 /nfs/dbraw/zinc/10/22/04/1056102204.db2.gz SXAWHSDRRRQOPH-HXUWFJFHSA-N 1 0 308.425 4.362 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001542186176 1056108248 /nfs/dbraw/zinc/10/82/48/1056108248.db2.gz NYZLFLAYVSTROZ-MSOLQXFVSA-N 1 0 310.526 4.220 20 30 DIEDRO CC(C)n1cc2c(n1)[C@@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000765812471 1056155641 /nfs/dbraw/zinc/15/56/41/1056155641.db2.gz BCFUWWVMOWMJEQ-KDOFPFPSSA-N 1 0 308.429 4.064 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1c1ccc(-c2cc(F)c(C#N)c(F)c2)nc1 ZINC001239921644 1056161143 /nfs/dbraw/zinc/16/11/43/1056161143.db2.gz CQBCGVRSTWTRST-SFHVURJKSA-N 1 0 313.351 4.055 20 30 DIEDRO N#Cc1cc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cs1 ZINC000921656755 1056168380 /nfs/dbraw/zinc/16/83/80/1056168380.db2.gz XDPLUVOEJPGFAI-UHFFFAOYSA-N 1 0 300.402 4.318 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2csc(C#N)c2)C1(CC)CC ZINC001621131225 1056176859 /nfs/dbraw/zinc/17/68/59/1056176859.db2.gz UIZLEQQKEXEPMJ-JKSUJKDBSA-N 1 0 306.475 4.035 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cccc(C(=O)NC)c2)cc1 ZINC001240019059 1056255612 /nfs/dbraw/zinc/25/56/12/1056255612.db2.gz KBAOMSRBGZMWKP-HXUWFJFHSA-N 1 0 320.436 4.036 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001543592864 1056259305 /nfs/dbraw/zinc/25/93/05/1056259305.db2.gz NKRGAPGTDLADQB-ROUUACIJSA-N 1 0 308.510 4.212 20 30 DIEDRO N#Cc1c(-c2ccc(C[NH+]3CCCC3)cc2)ccc2ncccc12 ZINC001240060385 1056295103 /nfs/dbraw/zinc/29/51/03/1056295103.db2.gz JRJYVRPOGHQEPI-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO C[C@H]1C[C@H](Nc2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000301565523 1056332917 /nfs/dbraw/zinc/33/29/17/1056332917.db2.gz WBYYEAYTGPBWHC-DOTOQJQBSA-N 1 0 323.415 4.162 20 30 DIEDRO C[C@H]1C[C@@H](Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000301535505 1056333984 /nfs/dbraw/zinc/33/39/84/1056333984.db2.gz LMFWPSUMTSNHCS-JXFKEZNVSA-N 1 0 305.425 4.023 20 30 DIEDRO COc1ccc(-c2ccc(C#N)c(F)c2)c(C[NH+]2CCCCC2)c1 ZINC001240161914 1056357671 /nfs/dbraw/zinc/35/76/71/1056357671.db2.gz AGHFHNYKPKDNIU-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#CCOc1cc(F)ccc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001240168870 1056361842 /nfs/dbraw/zinc/36/18/42/1056361842.db2.gz JRYBWPOVGQJYJQ-UHFFFAOYSA-N 1 0 324.399 4.381 20 30 DIEDRO COc1ccc(CC#N)cc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001240168864 1056362728 /nfs/dbraw/zinc/36/27/28/1056362728.db2.gz 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Cc1cc(C2=CCC[N@H+](Cc3ccccc3)C2)cc(F)c1C#N ZINC001240387074 1056469207 /nfs/dbraw/zinc/46/92/07/1056469207.db2.gz LYYYLVIACJJILQ-UHFFFAOYSA-N 1 0 306.384 4.295 20 30 DIEDRO Cc1cc(F)cc(C2=CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001240388512 1056470884 /nfs/dbraw/zinc/47/08/84/1056470884.db2.gz NKMFRWVEMHRAPE-UHFFFAOYSA-N 1 0 306.384 4.295 20 30 DIEDRO CCC1CCC([N@H+](CCOc2cccc(C#N)c2)C2CC2)CC1 ZINC001615194583 1056473480 /nfs/dbraw/zinc/47/34/80/1056473480.db2.gz GIHZDPWQPCMKBS-UHFFFAOYSA-N 1 0 312.457 4.370 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)c1 ZINC001615209406 1056475349 /nfs/dbraw/zinc/47/53/49/1056475349.db2.gz UDSBAGCTJWBDQH-FQEVSTJZSA-N 1 0 320.436 4.082 20 30 DIEDRO CC[N@H+](CCOCc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC001615229294 1056480434 /nfs/dbraw/zinc/48/04/34/1056480434.db2.gz IEEZCKHMTRPACU-QGZVFWFLSA-N 1 0 308.425 4.158 20 30 DIEDRO CCC#C[C@H](C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC001615233782 1056480471 /nfs/dbraw/zinc/48/04/71/1056480471.db2.gz LVMFPMOMPIDTSN-AWEZNQCLSA-N 1 0 303.833 4.037 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001615229581 1056481004 /nfs/dbraw/zinc/48/10/04/1056481004.db2.gz KXDUQCKZICKXNN-HOTGVXAUSA-N 1 0 314.256 4.240 20 30 DIEDRO CCC[N@H+](CCOc1cccc(C#N)c1)CC1CCCCC1 ZINC001615240156 1056481621 /nfs/dbraw/zinc/48/16/21/1056481621.db2.gz QPEJYPYHELTSKM-UHFFFAOYSA-N 1 0 300.446 4.229 20 30 DIEDRO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@@H](c2ccccc2)O1 ZINC001615245446 1056481728 /nfs/dbraw/zinc/48/17/28/1056481728.db2.gz IKRFMKVSZZVXMC-HKUYNNGSSA-N 1 0 312.457 4.313 20 30 DIEDRO N#Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)c(F)c2)ccc1Cl ZINC001240403586 1056484572 /nfs/dbraw/zinc/48/45/72/1056484572.db2.gz PVLGRNOONAGUBU-KRWDZBQOSA-N 1 0 300.764 4.442 20 30 DIEDRO C#CCCCCCC[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC001615296395 1056489409 /nfs/dbraw/zinc/48/94/09/1056489409.db2.gz KEOXTVRMCTUKAM-UHFFFAOYSA-N 1 0 305.487 4.433 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](CCOC)c1ccccc1 ZINC001615331779 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CCCCCCCCC[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC001615384143 1056501905 /nfs/dbraw/zinc/50/19/05/1056501905.db2.gz UCFPBYPODHWCCQ-UHFFFAOYSA-N 1 0 312.498 4.147 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001615405515 1056503206 /nfs/dbraw/zinc/50/32/06/1056503206.db2.gz FWUUBDHFXQDCEY-LJQANCHMSA-N 1 0 320.436 4.337 20 30 DIEDRO COc1ccc2c(c1)CCC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC001615436319 1056509872 /nfs/dbraw/zinc/50/98/72/1056509872.db2.gz ZEEJUKODQKGQKW-UHFFFAOYSA-N 1 0 312.457 4.308 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)cc1F ZINC000921808486 1056511201 /nfs/dbraw/zinc/51/12/01/1056511201.db2.gz AHLMYPWLIVNBKY-AWEZNQCLSA-N 1 0 312.388 4.174 20 30 DIEDRO CC(C)[N@H+](CCCCC#N)Cc1ccc(Br)cc1 ZINC000338735532 1056517701 /nfs/dbraw/zinc/51/77/01/1056517701.db2.gz ZYKVTORCAVDICA-UHFFFAOYSA-N 1 0 309.251 4.353 20 30 DIEDRO N#CCc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240456794 1056520152 /nfs/dbraw/zinc/52/01/52/1056520152.db2.gz IYHAESLGXRRSCS-UHFFFAOYSA-N 1 0 316.326 4.084 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)CCC)cc1 ZINC000765940445 1056528368 /nfs/dbraw/zinc/52/83/68/1056528368.db2.gz DYIMUXPMQBPVTL-YOEHRIQHSA-N 1 0 311.853 4.020 20 30 DIEDRO Cc1ccc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1C#N ZINC001615559612 1056533139 /nfs/dbraw/zinc/53/31/39/1056533139.db2.gz QYVGWUZGZCUZKV-DNVCBOLYSA-N 1 0 308.400 4.384 20 30 DIEDRO CCCCCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001585355012 1056537719 /nfs/dbraw/zinc/53/77/19/1056537719.db2.gz NDBOCLLMIDEZCO-LJQANCHMSA-N 1 0 316.489 4.128 20 30 DIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001615583410 1056539946 /nfs/dbraw/zinc/53/99/46/1056539946.db2.gz KOEAIIJPFRCDNK-INIZCTEOSA-N 1 0 315.417 4.257 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001615601548 1056543603 /nfs/dbraw/zinc/54/36/03/1056543603.db2.gz VWBGXHNWQXWLPZ-UHFFFAOYSA-N 1 0 308.853 4.265 20 30 DIEDRO C=CCCCCC[N@@H+](C)CCC(=O)Nc1cc(F)ccc1C ZINC001615600128 1056544030 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CCO[C@@H]1C[C@H]([N@H+](C)CC2CCC(C#N)CC2)C12CCCCC2 ZINC001615718911 1056566641 /nfs/dbraw/zinc/56/66/41/1056566641.db2.gz DFSMRKQAYWJHBW-WZOJCFFYSA-N 1 0 318.505 4.376 20 30 DIEDRO C=CCC1(C(=O)NCCC[N@@H+](CC)C2CCCCC2)CCCC1 ZINC001585527119 1056572732 /nfs/dbraw/zinc/57/27/32/1056572732.db2.gz MHSZOKLFJXKKCG-UHFFFAOYSA-N 1 0 320.521 4.284 20 30 DIEDRO CCC(CC)(CC)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001615904216 1056592306 /nfs/dbraw/zinc/59/23/06/1056592306.db2.gz DGOKGMHQPVBVNE-UHFFFAOYSA-N 1 0 321.852 4.099 20 30 DIEDRO N#Cc1ccc(CC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC001615915348 1056596011 /nfs/dbraw/zinc/59/60/11/1056596011.db2.gz XDAZPPRRHROUES-OAQYLSRUSA-N 1 0 302.421 4.253 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001615934882 1056600548 /nfs/dbraw/zinc/60/05/48/1056600548.db2.gz FAZOSGZVHRZEBS-SJORKVTESA-N 1 0 322.493 4.207 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001615986125 1056604174 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C#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)cc1 ZINC001620830826 1056643176 /nfs/dbraw/zinc/64/31/76/1056643176.db2.gz ACKDLWFQKKNGSD-FQEVSTJZSA-N 1 0 307.437 4.033 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2SCC)c1 ZINC001620830891 1056646611 /nfs/dbraw/zinc/64/66/11/1056646611.db2.gz BVKMQOXCGGAEHB-QZTJIDSGSA-N 1 0 305.487 4.405 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2csc(C#N)c2)C2CC2)ccc1F ZINC000921936132 1056649349 /nfs/dbraw/zinc/64/93/49/1056649349.db2.gz ARCKFZKDFLIXGU-KRWDZBQOSA-N 1 0 300.402 4.308 20 30 DIEDRO C#CC[N@H+](CC1CC1)[C@@H](CC)c1ccc(Br)cc1 ZINC001616402027 1056650571 /nfs/dbraw/zinc/65/05/71/1056650571.db2.gz HNERKZCKJICIDA-INIZCTEOSA-N 1 0 306.247 4.245 20 30 DIEDRO N#CCCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000338773484 1056651006 /nfs/dbraw/zinc/65/10/06/1056651006.db2.gz BLARDXAYPBRWCC-OAHLLOKOSA-N 1 0 307.235 4.110 20 30 DIEDRO C[C@@H](Nc1ccc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310502683 1056653464 /nfs/dbraw/zinc/65/34/64/1056653464.db2.gz JQJWCIHFGAKXLD-QAPCUYQASA-N 1 0 323.415 4.020 20 30 DIEDRO C[C@H](Nc1ccc(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310502681 1056653784 /nfs/dbraw/zinc/65/37/84/1056653784.db2.gz JQJWCIHFGAKXLD-MAUKXSAKSA-N 1 0 323.415 4.020 20 30 DIEDRO C=C(CC)C[N@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC001616488524 1056664573 /nfs/dbraw/zinc/66/45/73/1056664573.db2.gz FKABQTDYONVZSK-JOCHJYFZSA-N 1 0 321.464 4.289 20 30 DIEDRO C=C(CC)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC001616488526 1056665214 /nfs/dbraw/zinc/66/52/14/1056665214.db2.gz FKABQTDYONVZSK-QFIPXVFZSA-N 1 0 321.464 4.289 20 30 DIEDRO C[C@@]1([NH2+]CCCOc2ccc(C#N)cc2)CCCc2ccccc21 ZINC001616576470 1056680922 /nfs/dbraw/zinc/68/09/22/1056680922.db2.gz LDHITDWRMXDUPL-OAQYLSRUSA-N 1 0 320.436 4.168 20 30 DIEDRO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001616700475 1056702725 /nfs/dbraw/zinc/70/27/25/1056702725.db2.gz UUHOQBWNYXRCEF-HOTGVXAUSA-N 1 0 310.482 4.063 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCCc2cn(C(C)C)nc21 ZINC000921982672 1056709214 /nfs/dbraw/zinc/70/92/14/1056709214.db2.gz IDOXXMIPAVBVJN-IBGZPJMESA-N 1 0 322.456 4.120 20 30 DIEDRO C=C(C)c1cccc(NC(=O)c2ccc(C[NH+](CC)CC)o2)c1 ZINC001616751846 1056710356 /nfs/dbraw/zinc/71/03/56/1056710356.db2.gz BTXNRMUEDDZLSC-UHFFFAOYSA-N 1 0 312.413 4.407 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(C)c(F)c1 ZINC001616848907 1056727233 /nfs/dbraw/zinc/72/72/33/1056727233.db2.gz PEIYPGLBZDGEFH-SFHVURJKSA-N 1 0 312.388 4.255 20 30 DIEDRO CC[C@@H](C#N)c1ccc(-c2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001240854528 1056729509 /nfs/dbraw/zinc/72/95/09/1056729509.db2.gz CADGGLOAODNTFM-KRWDZBQOSA-N 1 0 319.452 4.123 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001616874810 1056731308 /nfs/dbraw/zinc/73/13/08/1056731308.db2.gz YFFFDEMFIMJRJK-FUHWJXTLSA-N 1 0 311.425 4.457 20 30 DIEDRO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001616888528 1056732827 /nfs/dbraw/zinc/73/28/27/1056732827.db2.gz XWOPSCAGEMKHCJ-OAQYLSRUSA-N 1 0 320.436 4.226 20 30 DIEDRO C[C@H]1CCCC[C@@H]1OCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898687 1056735930 /nfs/dbraw/zinc/73/59/30/1056735930.db2.gz GOJWLPYZNTXMLE-UWJYYQICSA-N 1 0 324.468 4.243 20 30 DIEDRO C[C@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)CC(C)(C)C ZINC001616920350 1056739622 /nfs/dbraw/zinc/73/96/22/1056739622.db2.gz AHSVCKLNSDYCCG-YJBOKZPZSA-N 1 0 300.446 4.004 20 30 DIEDRO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CCCCC1 ZINC001586457484 1056740209 /nfs/dbraw/zinc/74/02/09/1056740209.db2.gz MUKOAGJLYNFATA-GOSISDBHSA-N 1 0 318.505 4.036 20 30 DIEDRO N#Cc1cc(C[NH2+]C2(Cc3ccccc3)CCCC2)ccc1F ZINC001617089619 1056775686 /nfs/dbraw/zinc/77/56/86/1056775686.db2.gz VLOCAAMGEDELJO-UHFFFAOYSA-N 1 0 308.400 4.342 20 30 DIEDRO CC(C)(C)c1cccc(C[N@H+](CCC#N)C2CCCC2)c1O ZINC001143110262 1056776465 /nfs/dbraw/zinc/77/64/65/1056776465.db2.gz AMWIVZXUMNHTNP-UHFFFAOYSA-N 1 0 300.446 4.348 20 30 DIEDRO Cc1ccc([C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)cc1 ZINC001617147702 1056783177 /nfs/dbraw/zinc/78/31/77/1056783177.db2.gz UDGBHBBGMIMTLS-IBGZPJMESA-N 1 0 309.840 4.489 20 30 DIEDRO CCC1(CC)CCC[N@H+](Cc2ccc(C#N)cc2OC)CC1 ZINC001617232318 1056799597 /nfs/dbraw/zinc/79/95/97/1056799597.db2.gz XTKMHUXRSJIVDR-UHFFFAOYSA-N 1 0 300.446 4.359 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC001617275151 1056805057 /nfs/dbraw/zinc/80/50/57/1056805057.db2.gz VSUKOGUNRSLZKP-SJLPKXTDSA-N 1 0 300.446 4.261 20 30 DIEDRO CCCCCCCCCC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001617311634 1056811308 /nfs/dbraw/zinc/81/13/08/1056811308.db2.gz SBRROIJYDPKHMJ-FHWLQOOXSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCCCC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001617311641 1056811416 /nfs/dbraw/zinc/81/14/16/1056811416.db2.gz SBRROIJYDPKHMJ-OTWHNJEPSA-N 1 0 322.537 4.316 20 30 DIEDRO N#Cc1cncc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1 ZINC001617345913 1056817767 /nfs/dbraw/zinc/81/77/67/1056817767.db2.gz VRDCZMKKGFDORJ-NJDAHSKKSA-N 1 0 317.436 4.111 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000922145833 1056847501 /nfs/dbraw/zinc/84/75/01/1056847501.db2.gz XDAZPQGQCZJYRD-FQEVSTJZSA-N 1 0 322.456 4.208 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421856222 1056865143 /nfs/dbraw/zinc/86/51/43/1056865143.db2.gz NXLPWYNNKBNXBV-FPOVZHCZSA-N 1 0 319.452 4.354 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001617742135 1056875794 /nfs/dbraw/zinc/87/57/94/1056875794.db2.gz JOTKZHTZRFLFGB-HXUWFJFHSA-N 1 0 311.400 4.269 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC001617742108 1056876577 /nfs/dbraw/zinc/87/65/77/1056876577.db2.gz JFAQPXUFRCNUMI-SFHVURJKSA-N 1 0 324.509 4.434 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C12CCCC2 ZINC001617799165 1056884538 /nfs/dbraw/zinc/88/45/38/1056884538.db2.gz ITLKCATYOZJXQS-DLBZAZTESA-N 1 0 318.848 4.039 20 30 DIEDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C1(C)C ZINC001617999996 1056911986 /nfs/dbraw/zinc/91/19/86/1056911986.db2.gz CPDPORMIWPNQJT-UXHICEINSA-N 1 0 320.436 4.128 20 30 DIEDRO COc1cc(C)c(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1C ZINC001241138221 1056919354 /nfs/dbraw/zinc/91/93/54/1056919354.db2.gz MTELYFVEOMOUGK-UHFFFAOYSA-N 1 0 320.436 4.124 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC001618114200 1056923836 /nfs/dbraw/zinc/92/38/36/1056923836.db2.gz JQQYCNSGSWJWSV-IBGZPJMESA-N 1 0 312.457 4.420 20 30 DIEDRO C=CCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001618215838 1056935883 /nfs/dbraw/zinc/93/58/83/1056935883.db2.gz ZHXDTYJLKYLJER-OAHLLOKOSA-N 1 0 313.363 4.433 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC001618216640 1056936062 /nfs/dbraw/zinc/93/60/62/1056936062.db2.gz HMQJWJXVNCRMGQ-UHFFFAOYSA-N 1 0 324.424 4.234 20 30 DIEDRO N#Cc1cc(-c2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)ccn1 ZINC001241196245 1056953224 /nfs/dbraw/zinc/95/32/24/1056953224.db2.gz VIGVOJKOYNQOFP-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO CCCCCCCOc1ccc(-c2ncnc3c2C[NH2+]C3)cc1 ZINC001241218266 1056965558 /nfs/dbraw/zinc/96/55/58/1056965558.db2.gz NUTDGZYOUHGGIG-UHFFFAOYSA-N 1 0 311.429 4.096 20 30 DIEDRO Cc1cc(N(C)C)ncc1-c1nc(-c2cccs2)ccc1C#N ZINC001241240035 1056975125 /nfs/dbraw/zinc/97/51/25/1056975125.db2.gz GYQDIPWHHUYAGS-UHFFFAOYSA-N 1 0 320.421 4.118 20 30 DIEDRO C#CC1([NH2+]Cc2cccc(OCc3ccccc3)c2)CCCC1 ZINC001203471363 1056977966 /nfs/dbraw/zinc/97/79/66/1056977966.db2.gz NGROSOOFGJTLBI-UHFFFAOYSA-N 1 0 305.421 4.301 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(COC)cs1 ZINC000657496780 1056981124 /nfs/dbraw/zinc/98/11/24/1056981124.db2.gz RHFGDZQHALDIFT-KRWDZBQOSA-N 1 0 301.455 4.172 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OCC)c(F)c1)c1ccncc1 ZINC000785468589 1057007158 /nfs/dbraw/zinc/00/71/58/1057007158.db2.gz JSTBYLHKWWHCHG-QGZVFWFLSA-N 1 0 300.377 4.026 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347712688 1057008002 /nfs/dbraw/zinc/00/80/02/1057008002.db2.gz ASCACLNCWJLFBK-OAHLLOKOSA-N 1 0 302.809 4.047 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347712687 1057008462 /nfs/dbraw/zinc/00/84/62/1057008462.db2.gz ASCACLNCWJLFBK-HNNXBMFYSA-N 1 0 302.809 4.047 20 30 DIEDRO CSc1cccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001241315302 1057011056 /nfs/dbraw/zinc/01/10/56/1057011056.db2.gz GJEWWWCTDQNPNK-UHFFFAOYSA-N 1 0 308.450 4.220 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cc1C#N ZINC000922337862 1057012070 /nfs/dbraw/zinc/01/20/70/1057012070.db2.gz LEMZCJODGHVETD-UHFFFAOYSA-N 1 0 321.449 4.059 20 30 DIEDRO CCOc1cc(F)ccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001241321190 1057013455 /nfs/dbraw/zinc/01/34/55/1057013455.db2.gz FHIDNDJLODUGME-UHFFFAOYSA-N 1 0 324.399 4.036 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000318305420 1057017192 /nfs/dbraw/zinc/01/71/92/1057017192.db2.gz REMSTJGWPFVXSZ-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO COc1ccc(CC#N)cc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001241388623 1057034706 /nfs/dbraw/zinc/03/47/06/1057034706.db2.gz LRKBGAIUZBHQJF-UHFFFAOYSA-N 1 0 320.436 4.414 20 30 DIEDRO N#Cc1cc2c(nc1-c1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC001241388655 1057034808 /nfs/dbraw/zinc/03/48/08/1057034808.db2.gz HKHAREXAAKRPME-UHFFFAOYSA-N 1 0 317.436 4.095 20 30 DIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)c1 ZINC000093512932 1057038449 /nfs/dbraw/zinc/03/84/49/1057038449.db2.gz DDMQHWCVXHOUBK-SFHVURJKSA-N 1 0 311.454 4.023 20 30 DIEDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000389949981 1057039769 /nfs/dbraw/zinc/03/97/69/1057039769.db2.gz WLNXIZCRPFGIKD-IRXDYDNUSA-N 1 0 308.425 4.204 20 30 DIEDRO COc1cc(C#N)ccc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001241402600 1057041113 /nfs/dbraw/zinc/04/11/13/1057041113.db2.gz YCBUDFMGNISYIE-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO C[C@@H](Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000093919057 1057043279 /nfs/dbraw/zinc/04/32/79/1057043279.db2.gz XLLWLQNWVSXHKE-QGZVFWFLSA-N 1 0 319.452 4.370 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2ccc(C#N)cc2OC)c1F ZINC001241412581 1057045212 /nfs/dbraw/zinc/04/52/12/1057045212.db2.gz VIPWBFGYEPNMIY-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](CCc2ccccc2)C(F)F)CC1 ZINC000282375421 1057061422 /nfs/dbraw/zinc/06/14/22/1057061422.db2.gz QMKXRMURBDIMER-OFLPRAFFSA-N 1 0 306.400 4.172 20 30 DIEDRO C=CCc1cc(C)cnc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241502040 1057070924 /nfs/dbraw/zinc/07/09/24/1057070924.db2.gz MYHQZDRTKBENOB-UHFFFAOYSA-N 1 0 304.437 4.408 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000922875991 1057071684 /nfs/dbraw/zinc/07/16/84/1057071684.db2.gz QIKIFPOQJISEIF-GOSISDBHSA-N 1 0 305.425 4.050 20 30 DIEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1CCOCC1 ZINC000156164555 1057072093 /nfs/dbraw/zinc/07/20/93/1057072093.db2.gz JUGNVOPRQMITMZ-UHFFFAOYSA-N 1 0 320.436 4.084 20 30 DIEDRO N#CCc1cc(C2=CC[N@H+](Cc3ccccc3)CC2)ccc1F ZINC001241504175 1057073450 /nfs/dbraw/zinc/07/34/50/1057073450.db2.gz AIHLMOOKMDFNHA-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO N#CCc1cc(F)ccc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241504271 1057073905 /nfs/dbraw/zinc/07/39/05/1057073905.db2.gz CZLNQOUBGJWWOT-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO N#Cc1c[nH]c2ccc(C3=CC[N@H+](Cc4ccccc4)CC3)cc12 ZINC001241503953 1057074120 /nfs/dbraw/zinc/07/41/20/1057074120.db2.gz JRKQFXVKGDOELG-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO N#CCc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cc1F ZINC001241504598 1057075185 /nfs/dbraw/zinc/07/51/85/1057075185.db2.gz WBYJGZKWMKQHCY-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO O/N=C1/CCc2cc(C3=CC[N@H+](Cc4ccccc4)CC3)ccc21 ZINC001241506905 1057076881 /nfs/dbraw/zinc/07/68/81/1057076881.db2.gz NHOQVEXIJJBDAZ-DQRAZIAOSA-N 1 0 318.420 4.100 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2nc3ncccc3cc2C#N)cc1 ZINC001241578949 1057095911 /nfs/dbraw/zinc/09/59/11/1057095911.db2.gz PNXOIQHLXKHIGY-UHFFFAOYSA-N 1 0 316.408 4.010 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(F)cc2OCC#N)cc1 ZINC001241580293 1057096610 /nfs/dbraw/zinc/09/66/10/1057096610.db2.gz ATGMPGHZYGSDKI-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCCc2cc(OC)ccc21)c1ccncc1 ZINC000766018122 1057109739 /nfs/dbraw/zinc/10/97/39/1057109739.db2.gz GCJYYSJMSQTZCK-PMACEKPBSA-N 1 0 308.425 4.375 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000766019263 1057113179 /nfs/dbraw/zinc/11/31/79/1057113179.db2.gz LFCNEFDSOXXGRD-ROUUACIJSA-N 1 0 311.385 4.348 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(SC)nc2)cc1 ZINC001241631288 1057115420 /nfs/dbraw/zinc/11/54/20/1057115420.db2.gz GTYLOKNLKQCPSE-KRWDZBQOSA-N 1 0 311.454 4.188 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(F)c1)c1ccncc1 ZINC000766020590 1057117807 /nfs/dbraw/zinc/11/78/07/1057117807.db2.gz QNOVFEWKQKREJJ-GUYCJALGSA-N 1 0 300.377 4.197 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000766021415 1057121721 /nfs/dbraw/zinc/12/17/21/1057121721.db2.gz SSZXBEWNOBGMQW-RDTXWAMCSA-N 1 0 311.385 4.266 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000766021410 1057121922 /nfs/dbraw/zinc/12/19/22/1057121922.db2.gz SSZXBEWNOBGMQW-KDOFPFPSSA-N 1 0 311.385 4.266 20 30 DIEDRO N#Cc1cc(F)cc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c1 ZINC001241657726 1057124894 /nfs/dbraw/zinc/12/48/94/1057124894.db2.gz DQBHHWSGMGKXKE-UHFFFAOYSA-N 1 0 304.368 4.012 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)c1 ZINC000162527282 1057134084 /nfs/dbraw/zinc/13/40/84/1057134084.db2.gz FWSYIBGPDSKPLF-UHFFFAOYSA-N 1 0 317.367 4.049 20 30 DIEDRO Cc1cc2cc(C[NH2+][C@H](C)c3ccc(C#N)cc3F)ccc2[nH]1 ZINC000556898110 1057167577 /nfs/dbraw/zinc/16/75/77/1057167577.db2.gz UWYGYIMTLNOPHP-CYBMUJFWSA-N 1 0 307.372 4.338 20 30 DIEDRO C#Cc1cccc(-c2cc(C[NH+]3CCCCC3)ccc2OC)c1 ZINC001241921075 1057211659 /nfs/dbraw/zinc/21/16/59/1057211659.db2.gz CDBFPOXEMFXAPR-UHFFFAOYSA-N 1 0 305.421 4.329 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(C(F)F)nc2)cc1 ZINC000658009432 1057218478 /nfs/dbraw/zinc/21/84/78/1057218478.db2.gz MEUVOLIEZGYERI-CYBMUJFWSA-N 1 0 318.367 4.435 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000658060588 1057246778 /nfs/dbraw/zinc/24/67/78/1057246778.db2.gz OIRDPVKCOYFMGT-IDHHARJASA-N 1 0 300.446 4.431 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000658060587 1057247069 /nfs/dbraw/zinc/24/70/69/1057247069.db2.gz OIRDPVKCOYFMGT-GMBSWORKSA-N 1 0 300.446 4.431 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)C2CCC2)cc1 ZINC000922892488 1057249333 /nfs/dbraw/zinc/24/93/33/1057249333.db2.gz PUUNGNCVFVHUAW-HXUWFJFHSA-N 1 0 306.409 4.198 20 30 DIEDRO N#Cc1cc2[nH]ccc2c(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC001242123347 1057270297 /nfs/dbraw/zinc/27/02/97/1057270297.db2.gz ZXABNUIBGYFVJW-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1cccc(OC)c1C#N ZINC001242298639 1057326246 /nfs/dbraw/zinc/32/62/46/1057326246.db2.gz COSLMYCJZPHMNC-UHFFFAOYSA-N 1 0 324.424 4.084 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2cccc(OC)c2C#N)c1F ZINC001242299357 1057326385 /nfs/dbraw/zinc/32/63/85/1057326385.db2.gz MOKDQASSMAHRSW-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO N#Cc1ncccc1-c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001242310325 1057330964 /nfs/dbraw/zinc/33/09/64/1057330964.db2.gz GBWSNUOCXPBXHV-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C2=CC(=O)CC(C)(C)C2)nc1 ZINC001242314439 1057332115 /nfs/dbraw/zinc/33/21/15/1057332115.db2.gz CDYWOLRTIHESRZ-HNNXBMFYSA-N 1 0 312.457 4.229 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(F)ccc2CO)cc1 ZINC001242343023 1057339839 /nfs/dbraw/zinc/33/98/39/1057339839.db2.gz MYUFFCQFPQLFDM-HXUWFJFHSA-N 1 0 311.400 4.308 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(-c2cnc(C#N)c(C)c2)nc1 ZINC001242354683 1057343627 /nfs/dbraw/zinc/34/36/27/1057343627.db2.gz BWVKRYOUSJTYKS-FQEVSTJZSA-N 1 0 320.440 4.261 20 30 DIEDRO CC(C)COc1ccc(CC[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174367757 1057360012 /nfs/dbraw/zinc/36/00/12/1057360012.db2.gz GYEAYZDCDRWZNP-UHFFFAOYSA-N 1 0 302.462 4.183 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000174592813 1057366603 /nfs/dbraw/zinc/36/66/03/1057366603.db2.gz VEQNYJYGPPDYPV-UHFFFAOYSA-N 1 0 309.800 4.025 20 30 DIEDRO Cc1cc(C#N)ccc1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001242475921 1057377149 /nfs/dbraw/zinc/37/71/49/1057377149.db2.gz CAHMDJAHDLPBAJ-UHFFFAOYSA-N 1 0 308.450 4.378 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cc(C)cc(C#N)c2)nc1 ZINC001242478649 1057378227 /nfs/dbraw/zinc/37/82/27/1057378227.db2.gz IYLGDFNDCODZEZ-HXUWFJFHSA-N 1 0 305.425 4.476 20 30 DIEDRO Cc1cc(C#N)cc(-c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001242479408 1057378264 /nfs/dbraw/zinc/37/82/64/1057378264.db2.gz RUYIXOVPPLHDMA-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO Cc1cc(C#N)cc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001242480180 1057379070 /nfs/dbraw/zinc/37/90/70/1057379070.db2.gz CYOGONJHBCVNLR-SFTDATJTSA-N 1 0 320.436 4.320 20 30 DIEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccccc1Cl ZINC001168758030 1057380963 /nfs/dbraw/zinc/38/09/63/1057380963.db2.gz MTXZEOXALSDVTR-YOEHRIQHSA-N 1 0 320.864 4.072 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cc(C#N)ccc2C)nc1 ZINC001242544403 1057400024 /nfs/dbraw/zinc/40/00/24/1057400024.db2.gz ZAEXNJVNHRZTNM-HXUWFJFHSA-N 1 0 305.425 4.476 20 30 DIEDRO Cc1ccc(C[NH+]2CCCCC2)cc1-c1ccc(O)c(C#N)c1 ZINC001242566409 1057407623 /nfs/dbraw/zinc/40/76/23/1057407623.db2.gz XTTOJAFJSQKVBL-UHFFFAOYSA-N 1 0 306.409 4.225 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2cc(C[NH+]3CCCCC3)ccn2)c1 ZINC001242568097 1057407632 /nfs/dbraw/zinc/40/76/32/1057407632.db2.gz SZNBORQHYNJVIX-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2C#N)nc1 ZINC001242580568 1057412984 /nfs/dbraw/zinc/41/29/84/1057412984.db2.gz IKKZCVZMEDNHEM-AWEZNQCLSA-N 1 0 309.388 4.134 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(F)cc2C#N)nc1 ZINC001242581914 1057413706 /nfs/dbraw/zinc/41/37/06/1057413706.db2.gz HJXVLZAKPJCCGD-IBGZPJMESA-N 1 0 309.388 4.306 20 30 DIEDRO N#Cc1cc(F)ccc1-c1cc(F)c(C[NH+]2CCCC2)c(F)c1 ZINC001242583822 1057414702 /nfs/dbraw/zinc/41/47/02/1057414702.db2.gz JOYWVUFDBZSFQC-UHFFFAOYSA-N 1 0 316.326 4.238 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(F)cc2C#N)ccc1F ZINC001242584636 1057414854 /nfs/dbraw/zinc/41/48/54/1057414854.db2.gz ZDXJCJZNVGSVPB-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO COc1ccc(-c2ccc(F)cc2C#N)cc1C[NH+]1CCCCC1 ZINC001242584681 1057414899 /nfs/dbraw/zinc/41/48/99/1057414899.db2.gz QDMKYEFIAZQGJD-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3ccc(C)cc3C#N)c(C)c2)CC1 ZINC001242591800 1057416735 /nfs/dbraw/zinc/41/67/35/1057416735.db2.gz VPSCFKHUIZLTRZ-UHFFFAOYSA-N 1 0 317.436 4.346 20 30 DIEDRO Cc1ccc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)c(C#N)c1 ZINC001242592325 1057416781 /nfs/dbraw/zinc/41/67/81/1057416781.db2.gz ZRCHZOJCHJOIEH-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO N#Cc1c(F)c(F)c(C2=CC[C@@H]([NH+]3CCCC3)CC2)c(F)c1F ZINC001242692812 1057449388 /nfs/dbraw/zinc/44/93/88/1057449388.db2.gz KSQHJRRPENSHDT-LLVKDONJSA-N 1 0 324.321 4.146 20 30 DIEDRO N#Cc1cnc(C2=CC[C@H]([NH+]3CCCC3)CC2)c2sccc21 ZINC001242693673 1057449816 /nfs/dbraw/zinc/44/98/16/1057449816.db2.gz XDTIUZRTWZAITD-HNNXBMFYSA-N 1 0 309.438 4.200 20 30 DIEDRO N#Cc1ccc2cc(C3=CC[C@H]([NH+]4CCCC4)CC3)ccc2n1 ZINC001242694821 1057450278 /nfs/dbraw/zinc/45/02/78/1057450278.db2.gz RGXISVNWYZDNIL-IBGZPJMESA-N 1 0 303.409 4.138 20 30 DIEDRO C[Si](C)(C)C#Cc1ccc(C2=CC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC001242695791 1057451373 /nfs/dbraw/zinc/45/13/73/1057451373.db2.gz VUIPLHKXYIYQOU-FQEVSTJZSA-N 1 0 324.544 4.342 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001242729998 1057461059 /nfs/dbraw/zinc/46/10/59/1057461059.db2.gz XYHJGKRTXHKXOF-FQEVSTJZSA-N 1 0 322.456 4.080 20 30 DIEDRO Cc1cc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)ccc1C#N ZINC001242771114 1057469481 /nfs/dbraw/zinc/46/94/81/1057469481.db2.gz QHNVYDVFRFOYCL-UHFFFAOYSA-N 1 0 303.409 4.119 20 30 DIEDRO CC#Cc1cncc(-c2ccc(OC)c(C[NH+]3CCCCC3)c2)c1 ZINC001242941922 1057525421 /nfs/dbraw/zinc/52/54/21/1057525421.db2.gz HSNWPODOEKWQGE-UHFFFAOYSA-N 1 0 320.436 4.115 20 30 DIEDRO C[NH2+]Cc1ccc(-c2ccc(CC#N)c(C(F)(F)F)c2)cc1 ZINC001242992945 1057539379 /nfs/dbraw/zinc/53/93/79/1057539379.db2.gz UADKDGBOQDDBRG-UHFFFAOYSA-N 1 0 304.315 4.158 20 30 DIEDRO C[NH2+]Cc1cccc(-c2cc(C(F)(F)F)ccc2CC#N)c1 ZINC001242995545 1057539947 /nfs/dbraw/zinc/53/99/47/1057539947.db2.gz FOUWYOYDTWYGLC-UHFFFAOYSA-N 1 0 304.315 4.158 20 30 DIEDRO C[NH2+]Cc1cccc(-c2cc(OC3CCC3)cc(F)c2C#N)c1 ZINC001242998193 1057540838 /nfs/dbraw/zinc/54/08/38/1057540838.db2.gz IIJZPTBTHMMWME-UHFFFAOYSA-N 1 0 310.372 4.015 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001129292734 1057559881 /nfs/dbraw/zinc/55/98/81/1057559881.db2.gz RIAAMNDPFKZFNW-HXUWFJFHSA-N 1 0 322.537 4.462 20 30 DIEDRO CC1([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC000611108200 1057582224 /nfs/dbraw/zinc/58/22/24/1057582224.db2.gz DJLCQHRBFJVUNU-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cccc(CO)c2F)cc1 ZINC001243145561 1057585797 /nfs/dbraw/zinc/58/57/97/1057585797.db2.gz ZEQPDRSVTNSWFT-IBGZPJMESA-N 1 0 311.400 4.308 20 30 DIEDRO CC[N@H+](Cc1nn(C)c2ccccc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256421 1057586956 /nfs/dbraw/zinc/58/69/56/1057586956.db2.gz LLCPYLXWGZSPPU-HNNXBMFYSA-N 1 0 318.424 4.028 20 30 DIEDRO C[C@H]([NH2+]CCSc1ccccc1F)c1cccc(C#N)c1 ZINC000611389140 1057594276 /nfs/dbraw/zinc/59/42/76/1057594276.db2.gz XKQKHMWTAXHPMB-ZDUSSCGKSA-N 1 0 300.402 4.140 20 30 DIEDRO CSc1ccc(OCC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611387671 1057594851 /nfs/dbraw/zinc/59/48/51/1057594851.db2.gz RYDLORNUHYCGLE-AWEZNQCLSA-N 1 0 312.438 4.010 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2ccnc(C#N)c2)cc1 ZINC000611393092 1057595267 /nfs/dbraw/zinc/59/52/67/1057595267.db2.gz IONXMZJZODRUOX-UHFFFAOYSA-N 1 0 323.440 4.013 20 30 DIEDRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393044 1057595533 /nfs/dbraw/zinc/59/55/33/1057595533.db2.gz FCJUFVZPPYEHPM-JFIYKMOQSA-N 1 0 300.471 4.199 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nccc2ccccc21 ZINC000611392353 1057595618 /nfs/dbraw/zinc/59/56/18/1057595618.db2.gz MXEKGEJWEJXLJA-HXUWFJFHSA-N 1 0 313.404 4.274 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1c(C)nn(C)c1C ZINC000611393166 1057595699 /nfs/dbraw/zinc/59/56/99/1057595699.db2.gz MBYJYWMMUJYKQF-RTBURBONSA-N 1 0 322.456 4.027 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cc(F)ccc1F ZINC000611393991 1057596086 /nfs/dbraw/zinc/59/60/86/1057596086.db2.gz WBQHNLMIKJMFKM-LJQANCHMSA-N 1 0 312.363 4.046 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Cc1cccs1 ZINC000611393538 1057596190 /nfs/dbraw/zinc/59/61/90/1057596190.db2.gz VYRWASGFUKXJGE-AUUYWEPGSA-N 1 0 310.466 4.466 20 30 DIEDRO CCCCn1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000611395249 1057596212 /nfs/dbraw/zinc/59/62/12/1057596212.db2.gz YDFHBPSPZBQERU-FQEVSTJZSA-N 1 0 322.456 4.031 20 30 DIEDRO COCCC1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCCC1 ZINC000611393981 1057596249 /nfs/dbraw/zinc/59/62/49/1057596249.db2.gz VWYNCHXSPLJKQA-LJQANCHMSA-N 1 0 312.457 4.122 20 30 DIEDRO CCOCCC1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCC1 ZINC000611394579 1057596476 /nfs/dbraw/zinc/59/64/76/1057596476.db2.gz QSCZJSDCZJVLKB-IBGZPJMESA-N 1 0 312.457 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cc(F)ccc1F ZINC000611393990 1057596560 /nfs/dbraw/zinc/59/65/60/1057596560.db2.gz WBQHNLMIKJMFKM-IBGZPJMESA-N 1 0 312.363 4.046 20 30 DIEDRO CCOCc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611390467 1057597160 /nfs/dbraw/zinc/59/71/60/1057597160.db2.gz CTYSTZNNWXFXQC-OAQYLSRUSA-N 1 0 320.436 4.262 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)ccn1 ZINC000611406247 1057597322 /nfs/dbraw/zinc/59/73/22/1057597322.db2.gz DDRRBPARWOQTGK-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000611394758 1057597484 /nfs/dbraw/zinc/59/74/84/1057597484.db2.gz ZXRJTVFYXNBWIN-PKOBYXMFSA-N 1 0 310.441 4.017 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391092 1057598004 /nfs/dbraw/zinc/59/80/04/1057598004.db2.gz SAPCRKYUFQTJBI-YJYMSZOUSA-N 1 0 324.399 4.434 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1c(F)cccc1F ZINC000611390896 1057598319 /nfs/dbraw/zinc/59/83/19/1057598319.db2.gz JJFATDVDDCELOB-IBGZPJMESA-N 1 0 312.363 4.046 20 30 DIEDRO CC(C)(C#N)CC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611462410 1057599982 /nfs/dbraw/zinc/59/99/82/1057599982.db2.gz IBBAYMUKPOFMJY-UHFFFAOYSA-N 1 0 314.429 4.100 20 30 DIEDRO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000611433734 1057600651 /nfs/dbraw/zinc/60/06/51/1057600651.db2.gz OKTCQXNEKPNNKM-QGZVFWFLSA-N 1 0 324.428 4.057 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000611473454 1057602258 /nfs/dbraw/zinc/60/22/58/1057602258.db2.gz HIBSUYLTHOUAJN-IBGZPJMESA-N 1 0 306.384 4.354 20 30 DIEDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000611477480 1057603077 /nfs/dbraw/zinc/60/30/77/1057603077.db2.gz RGQYWEWJWBGZLV-NLWGTHIKSA-N 1 0 312.457 4.119 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1(c2ccccc2F)CC1 ZINC000611474743 1057603261 /nfs/dbraw/zinc/60/32/61/1057603261.db2.gz GTRLJSYLTYYWKN-IBGZPJMESA-N 1 0 306.384 4.354 20 30 DIEDRO N#Cc1ccc(C[N@H+](C2CC2)C2CCCC2)c(Br)c1 ZINC000611500522 1057603885 /nfs/dbraw/zinc/60/38/85/1057603885.db2.gz GQESUIPDYQDZQT-UHFFFAOYSA-N 1 0 319.246 4.228 20 30 DIEDRO COCC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000611521839 1057605324 /nfs/dbraw/zinc/60/53/24/1057605324.db2.gz CSIACZZQNIFRLC-MOPGFXCFSA-N 1 0 324.424 4.205 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1nc2ncccc2cc1C#N ZINC001243336667 1057650676 /nfs/dbraw/zinc/65/06/76/1057650676.db2.gz ZQIQYMDJXOPQBF-UHFFFAOYSA-N 1 0 316.408 4.010 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](C)CCCCCC)CC1 ZINC000729977210 1057699657 /nfs/dbraw/zinc/69/96/57/1057699657.db2.gz OFGRXYIGLDZWKB-KRWDZBQOSA-N 1 0 308.510 4.140 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1-c1ccccc1OCC#N ZINC001243586810 1057725282 /nfs/dbraw/zinc/72/52/82/1057725282.db2.gz PFLUERYNRNTLHB-UHFFFAOYSA-N 1 0 306.409 4.160 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730798319 1057725923 /nfs/dbraw/zinc/72/59/23/1057725923.db2.gz UXFDBXVEAVTRSW-GOSISDBHSA-N 1 0 308.510 4.214 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(OCC#N)cc2)cc1F ZINC001243591548 1057726704 /nfs/dbraw/zinc/72/67/04/1057726704.db2.gz KCVTUULWRISIOF-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO CC(C)CC(Cc1ccc(Cl)cc1Cl)=[NH+]n1cnnc1 ZINC000730945246 1057730066 /nfs/dbraw/zinc/73/00/66/1057730066.db2.gz CPOSQLINHQZKNE-UHFFFAOYSA-N 1 0 311.216 4.078 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000731211618 1057737889 /nfs/dbraw/zinc/73/78/89/1057737889.db2.gz QZQFDZDNGKUVOV-FQEVSTJZSA-N 1 0 320.436 4.186 20 30 DIEDRO Cc1ccccc1C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000731212795 1057738052 /nfs/dbraw/zinc/73/80/52/1057738052.db2.gz LJGSCZUWDBXASV-UHFFFAOYSA-N 1 0 320.436 4.277 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000731212162 1057738379 /nfs/dbraw/zinc/73/83/79/1057738379.db2.gz WUNBSORTLGJLMI-UHFFFAOYSA-N 1 0 312.388 4.139 20 30 DIEDRO COc1ccc(CC#N)cc1-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001243651447 1057743899 /nfs/dbraw/zinc/74/38/99/1057743899.db2.gz GPERMTINIDLKRM-UHFFFAOYSA-N 1 0 320.436 4.237 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(CC#N)c(F)c3)cc2)CC1 ZINC001243652871 1057744261 /nfs/dbraw/zinc/74/42/61/1057744261.db2.gz RRXPVZQOCAXNRK-UHFFFAOYSA-N 1 0 308.400 4.368 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3cccc(F)c3CC#N)cc2)CC1 ZINC001243654716 1057744719 /nfs/dbraw/zinc/74/47/19/1057744719.db2.gz LKEMFVSHLKONRK-UHFFFAOYSA-N 1 0 308.400 4.368 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3cc(/C=N/O)ccc3F)cc2)CC1 ZINC001243656709 1057745565 /nfs/dbraw/zinc/74/55/65/1057745565.db2.gz GZHMBXSAMGKIQA-FYJGNVAPSA-N 1 0 312.388 4.110 20 30 DIEDRO CC[C@H](C#N)c1ccc(-c2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001243670799 1057749904 /nfs/dbraw/zinc/74/99/04/1057749904.db2.gz BEVBKGLHAQVQIZ-QGZVFWFLSA-N 1 0 319.452 4.123 20 30 DIEDRO COc1ccc(-c2ccc(SC3CC[NH2+]CC3)cc2)c(C#N)c1 ZINC001243732198 1057765314 /nfs/dbraw/zinc/76/53/14/1057765314.db2.gz KGTZNIUMEMWOIZ-UHFFFAOYSA-N 1 0 324.449 4.078 20 30 DIEDRO COc1ccc(-c2cccc(C[NH+]3CCCCC3)c2)c(C#N)c1 ZINC001243732150 1057765391 /nfs/dbraw/zinc/76/53/91/1057765391.db2.gz VNMSBSAWBAPJQL-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(OC)cc2C#N)cc1F ZINC001243732295 1057765439 /nfs/dbraw/zinc/76/54/39/1057765439.db2.gz MROFHSQVLNLTOE-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000732159395 1057768371 /nfs/dbraw/zinc/76/83/71/1057768371.db2.gz HOSLYIRMBKHIMD-SFHVURJKSA-N 1 0 308.510 4.070 20 30 DIEDRO COc1ccc(C2=CC[C@@H](C#N)CC2)c(C[NH+]2CCCCC2)c1 ZINC001243792861 1057781076 /nfs/dbraw/zinc/78/10/76/1057781076.db2.gz KOTLHVRTWBIEJN-MRXNPFEDSA-N 1 0 310.441 4.388 20 30 DIEDRO C=CC[N@@H+](C[C@@H](O)c1cc(F)ccc1F)CC1CCCCC1 ZINC000732667269 1057782999 /nfs/dbraw/zinc/78/29/99/1057782999.db2.gz NASBPZMXIGDGJA-GOSISDBHSA-N 1 0 309.400 4.067 20 30 DIEDRO CCCCCCCC(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000732732600 1057786945 /nfs/dbraw/zinc/78/69/45/1057786945.db2.gz CYNHSGJEFBZSIY-UHFFFAOYSA-N 1 0 316.489 4.474 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000733310230 1057811812 /nfs/dbraw/zinc/81/18/12/1057811812.db2.gz AZBYAKNITDPGLD-HXUWFJFHSA-N 1 0 320.436 4.105 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(C)C)cc1 ZINC000733324704 1057812538 /nfs/dbraw/zinc/81/25/38/1057812538.db2.gz VBLWNPOBOJWXRA-KRWDZBQOSA-N 1 0 323.436 4.337 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1 ZINC000733327086 1057812802 /nfs/dbraw/zinc/81/28/02/1057812802.db2.gz JWXCEASGPQGVAO-OAQYLSRUSA-N 1 0 305.421 4.256 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(OC(C)C)c2)cc1 ZINC000733325066 1057812964 /nfs/dbraw/zinc/81/29/64/1057812964.db2.gz VFBXUPURQWVMGE-UHFFFAOYSA-N 1 0 323.436 4.166 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC(C)(C)c2ccccc2)cc1 ZINC000733324423 1057813142 /nfs/dbraw/zinc/81/31/42/1057813142.db2.gz XHVCHWBEFAASEX-UHFFFAOYSA-N 1 0 307.437 4.156 20 30 DIEDRO Fc1ccc(C(F)(F)F)cc1C[NH2+]CCSC(F)(F)F ZINC000733324882 1057813289 /nfs/dbraw/zinc/81/32/89/1057813289.db2.gz IFCJNUDZNGTZHQ-UHFFFAOYSA-N 1 0 321.261 4.187 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CSCc3ccccc32)cc1 ZINC000733325946 1057813342 /nfs/dbraw/zinc/81/33/42/1057813342.db2.gz AGTZCDVCRKERGE-HXUWFJFHSA-N 1 0 323.461 4.166 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCC2)cc1 ZINC000733327501 1057813804 /nfs/dbraw/zinc/81/38/04/1057813804.db2.gz SQAIBSDGNLWNIA-UHFFFAOYSA-N 1 0 323.411 4.397 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](CC)Cc2ccccc2)cc1 ZINC000733327198 1057814079 /nfs/dbraw/zinc/81/40/79/1057814079.db2.gz PLZFBSNKXFYXTM-HXUWFJFHSA-N 1 0 307.437 4.200 20 30 DIEDRO CC(C)(C)c1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)ccn1 ZINC001244022628 1057841430 /nfs/dbraw/zinc/84/14/30/1057841430.db2.gz JCLHXODKIYOOKT-UHFFFAOYSA-N 1 0 319.452 4.191 20 30 DIEDRO N#CC1(c2cccc(-c3cc(C[NH+]4CCCCC4)ccn3)c2)CC1 ZINC001244073425 1057858471 /nfs/dbraw/zinc/85/84/71/1057858471.db2.gz WYQRPHWNGIJBGN-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO C[N@@H+]1CCc2c(F)cc(-c3cccc(C4(C#N)CC4)c3)cc2C1 ZINC001244074699 1057859162 /nfs/dbraw/zinc/85/91/62/1057859162.db2.gz DFUSNVCMGXRWGP-UHFFFAOYSA-N 1 0 306.384 4.036 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(C#N)cc2N)cc1 ZINC001244093925 1057866481 /nfs/dbraw/zinc/86/64/81/1057866481.db2.gz TXSHARCFHOIJPX-HXUWFJFHSA-N 1 0 303.409 4.130 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)cc2Cl)nc1 ZINC001244327794 1057934048 /nfs/dbraw/zinc/93/40/48/1057934048.db2.gz OEOILCHJPHTSSK-SFHVURJKSA-N 1 0 311.816 4.430 20 30 DIEDRO N#Cc1cnccc1-c1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001244335876 1057936609 /nfs/dbraw/zinc/93/66/09/1057936609.db2.gz OEEWKMSSECBUIQ-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO Cc1ccc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)cc1C#N ZINC001244480444 1057971887 /nfs/dbraw/zinc/97/18/87/1057971887.db2.gz XNWKBBSGGBMFIE-UHFFFAOYSA-N 1 0 300.405 4.182 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(C)cc2CO)cc1 ZINC001244491353 1057973928 /nfs/dbraw/zinc/97/39/28/1057973928.db2.gz IWNPEZAIJPBMIL-NRFANRHFSA-N 1 0 307.437 4.477 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccc2F)nc1 ZINC001244558307 1057995585 /nfs/dbraw/zinc/99/55/85/1057995585.db2.gz NXZRZGQXKJZNNT-AWEZNQCLSA-N 1 0 309.388 4.134 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2cc(C#N)ccc2F)c1F ZINC001244558137 1057995730 /nfs/dbraw/zinc/99/57/30/1057995730.db2.gz IQDZCBZTHVZFFB-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)cc2C)cc1 ZINC001244583542 1058001829 /nfs/dbraw/zinc/00/18/29/1058001829.db2.gz ACTHXIVWDYKRLH-NRFANRHFSA-N 1 0 307.437 4.477 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)c(OC)c2)cc1 ZINC001244675711 1058024368 /nfs/dbraw/zinc/02/43/68/1058024368.db2.gz OJEFSOCCJZALHY-HXUWFJFHSA-N 1 0 323.436 4.177 20 30 DIEDRO COc1ccc(-c2ccccc2C[NH+]2CCCCC2)cc1C#N ZINC001244708869 1058032409 /nfs/dbraw/zinc/03/24/09/1058032409.db2.gz HBIDIAXSSTXAIN-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO COc1ccc(-c2ccc(SC3CC[NH2+]CC3)cc2)cc1C#N ZINC001244710218 1058032571 /nfs/dbraw/zinc/03/25/71/1058032571.db2.gz DKWNHQGJERPYCX-UHFFFAOYSA-N 1 0 324.449 4.078 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1cnccc1C[NH+]1CCCCC1 ZINC001244733417 1058036252 /nfs/dbraw/zinc/03/62/52/1058036252.db2.gz AKEWKWSDUDICOE-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001244734756 1058036726 /nfs/dbraw/zinc/03/67/26/1058036726.db2.gz MKYOUGIFAQLZHD-UHFFFAOYSA-N 1 0 321.811 4.023 20 30 DIEDRO Cc1c(C#N)cccc1-c1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001244813985 1058051131 /nfs/dbraw/zinc/05/11/31/1058051131.db2.gz JTTOSGKEOGMIKT-HNNXBMFYSA-N 1 0 305.425 4.303 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3cccc(C#N)c3C)c(C)c2)CC1 ZINC001244814008 1058051366 /nfs/dbraw/zinc/05/13/66/1058051366.db2.gz KRHJOLFSTFKWFV-UHFFFAOYSA-N 1 0 317.436 4.346 20 30 DIEDRO Cc1c(C#N)cccc1-c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001244815901 1058051910 /nfs/dbraw/zinc/05/19/10/1058051910.db2.gz UHDZWIUPVVWYLC-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cccc(C#N)c2C)nc1 ZINC001244815026 1058052026 /nfs/dbraw/zinc/05/20/26/1058052026.db2.gz FGRQZDMNBNVWRQ-HXUWFJFHSA-N 1 0 305.425 4.476 20 30 DIEDRO Cc1c(C#N)cccc1-c1ccccc1CO[C@H]1CCCC[C@@H]1[NH3+] ZINC001244820636 1058052807 /nfs/dbraw/zinc/05/28/07/1058052807.db2.gz WHKNDHBBIRFMIK-SFTDATJTSA-N 1 0 320.436 4.320 20 30 DIEDRO C[NH2+]Cc1cccc(-c2nc(-c3cccs3)ccc2C#N)c1F ZINC001244859934 1058058597 /nfs/dbraw/zinc/05/85/97/1058058597.db2.gz VPVIOOSMTIBAOR-UHFFFAOYSA-N 1 0 323.396 4.207 20 30 DIEDRO C[NH2+]Cc1cccc(-c2ccc3cc(C#N)c(C#N)cc3c2)c1F ZINC001244861126 1058059508 /nfs/dbraw/zinc/05/95/08/1058059508.db2.gz OJVRRFDKOQIERR-UHFFFAOYSA-N 1 0 315.351 4.109 20 30 DIEDRO C[NH2+]Cc1cccc(-c2cc(CC#N)cc3ccccc32)c1F ZINC001244864553 1058059799 /nfs/dbraw/zinc/05/97/99/1058059799.db2.gz NZVWGLKTGCPJOC-UHFFFAOYSA-N 1 0 304.368 4.431 20 30 DIEDRO Cc1c(C#N)c(-c2cccc(C[NH+](C)C)c2F)nc2ccccc12 ZINC001244864885 1058059920 /nfs/dbraw/zinc/05/99/20/1058059920.db2.gz SYDZFPMILUOOHZ-UHFFFAOYSA-N 1 0 319.383 4.283 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2cc(OC(F)F)ccc2C#N)c1F ZINC001244866409 1058060557 /nfs/dbraw/zinc/06/05/57/1058060557.db2.gz UVPCAACVZYAZRY-UHFFFAOYSA-N 1 0 320.314 4.027 20 30 DIEDRO COc1cc(C)c(C)cc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001245022967 1058095919 /nfs/dbraw/zinc/09/59/19/1058095919.db2.gz WLHXRJFXVJFMCO-UHFFFAOYSA-N 1 0 320.436 4.124 20 30 DIEDRO N#Cc1cc(C(F)(F)F)cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)n1 ZINC001245345319 1058148507 /nfs/dbraw/zinc/14/85/07/1058148507.db2.gz FDQHJFJVWJOLLC-OAHLLOKOSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1ccc(C(F)(F)F)nc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245345663 1058148588 /nfs/dbraw/zinc/14/85/88/1058148588.db2.gz DKIGSNHVMOIUKT-CQSZACIVSA-N 1 0 317.314 4.064 20 30 DIEDRO N#CC1(c2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)nc2)CCC1 ZINC001245347574 1058149181 /nfs/dbraw/zinc/14/91/81/1058149181.db2.gz RPKDEZTWWCHMDP-GOSISDBHSA-N 1 0 303.409 4.118 20 30 DIEDRO N#Cc1cnc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c2sccc21 ZINC001245349400 1058149516 /nfs/dbraw/zinc/14/95/16/1058149516.db2.gz MMJNBAFASLSJSZ-INIZCTEOSA-N 1 0 305.406 4.259 20 30 DIEDRO SCc1ccccc1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001245408142 1058161363 /nfs/dbraw/zinc/16/13/63/1058161363.db2.gz QTQXDPPMQPTJNK-UHFFFAOYSA-N 1 0 313.466 4.052 20 30 DIEDRO C=CC(C)(C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001516577732 1058182318 /nfs/dbraw/zinc/18/23/18/1058182318.db2.gz ZCXYLXATGUSBNJ-HNNXBMFYSA-N 1 0 300.446 4.212 20 30 DIEDRO N#Cc1ccc(-c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)cc1 ZINC001245496319 1058183831 /nfs/dbraw/zinc/18/38/31/1058183831.db2.gz RUEKMVJGNKNSDD-UHFFFAOYSA-N 1 0 315.420 4.345 20 30 DIEDRO N#Cc1cnc(-c2ccc(C3CC[NH2+]CC3)cc2)c2sccc21 ZINC001245523364 1058198266 /nfs/dbraw/zinc/19/82/66/1058198266.db2.gz CYNNZFLAJOUQFV-UHFFFAOYSA-N 1 0 319.433 4.302 20 30 DIEDRO N#Cc1ccc2cc(-c3ccc(C4CC[NH2+]CC4)cc3)ccc2n1 ZINC001245526507 1058201626 /nfs/dbraw/zinc/20/16/26/1058201626.db2.gz LEDKNSNGJJLARA-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO CC(C)(C#N)c1ccc(-c2ccc(C3CC[NH2+]CC3)cc2)cn1 ZINC001245527622 1058203523 /nfs/dbraw/zinc/20/35/23/1058203523.db2.gz ZHQONTGFWXBFTQ-UHFFFAOYSA-N 1 0 305.425 4.017 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(N)c(Cl)c2)cc1 ZINC001245568780 1058233612 /nfs/dbraw/zinc/23/36/12/1058233612.db2.gz ZLVFFSCFNIJDFO-KRWDZBQOSA-N 1 0 313.832 4.307 20 30 DIEDRO Cc1c(F)ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1F ZINC001245692424 1058355140 /nfs/dbraw/zinc/35/51/40/1058355140.db2.gz LBKZAXDPEDGWMU-UHFFFAOYSA-N 1 0 312.363 4.085 20 30 DIEDRO CCCCCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC001529221842 1058646430 /nfs/dbraw/zinc/64/64/30/1058646430.db2.gz QNBCTDSHQROHFV-PXNSSMCTSA-N 1 0 318.505 4.463 20 30 DIEDRO C=CCCCCCC[C@@H](O)CNc1ccc(C(C)(C)C[NH3+])cc1 ZINC001245960355 1058648679 /nfs/dbraw/zinc/64/86/79/1058648679.db2.gz OQMMSTIPUGERRR-LJQANCHMSA-N 1 0 318.505 4.222 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(N)cc1 ZINC001245987156 1058653857 /nfs/dbraw/zinc/65/38/57/1058653857.db2.gz JOHWRLWMKHKCDE-LJQANCHMSA-N 1 0 306.494 4.250 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCNc2ccccc21 ZINC001246002298 1058657072 /nfs/dbraw/zinc/65/70/72/1058657072.db2.gz NZDGKROFHIXYBI-QFBILLFUSA-N 1 0 304.478 4.244 20 30 DIEDRO CCCCCCCCCCC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001521038253 1058734166 /nfs/dbraw/zinc/73/41/66/1058734166.db2.gz LIECDVGYODJALJ-ROUUACIJSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC001557510302 1058759967 /nfs/dbraw/zinc/75/99/67/1058759967.db2.gz RYDBVOPGLDNIFV-MSOLQXFVSA-N 1 0 310.526 4.221 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001278439665 1058782965 /nfs/dbraw/zinc/78/29/65/1058782965.db2.gz GKKVKXMDAGGRMB-OALUTQOASA-N 1 0 303.494 4.024 20 30 DIEDRO CCCCCCCC[NH+]1CC2(CCN2Cc2scnc2C)C1 ZINC001278439625 1058785279 /nfs/dbraw/zinc/78/52/79/1058785279.db2.gz FDISTRMNMDOKJM-UHFFFAOYSA-N 1 0 321.534 4.072 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001557975391 1058825679 /nfs/dbraw/zinc/82/56/79/1058825679.db2.gz CGHMPHATPLZFBL-MCBHFWOFSA-N 1 0 320.521 4.236 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001246338234 1058846581 /nfs/dbraw/zinc/84/65/81/1058846581.db2.gz DKISRMKAMLFSBB-HSALFYBXSA-N 1 0 317.521 4.461 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001246338236 1058848182 /nfs/dbraw/zinc/84/81/82/1058848182.db2.gz DKISRMKAMLFSBB-UFYCRDLUSA-N 1 0 317.521 4.461 20 30 DIEDRO C=CCC1(NC(=O)c2ccc(C[NH+](CC)CC)o2)CCCCC1 ZINC001521566429 1058906744 /nfs/dbraw/zinc/90/67/44/1058906744.db2.gz IPZYKVAYRFSDFX-UHFFFAOYSA-N 1 0 318.461 4.130 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001558908794 1058921621 /nfs/dbraw/zinc/92/16/21/1058921621.db2.gz CNEUBJOBUREQFS-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCN[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001246488103 1058966567 /nfs/dbraw/zinc/96/65/67/1058966567.db2.gz HPHWBDCIZFBFFJ-PWRODBHTSA-N 1 0 306.453 4.387 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCN[C@H](c2ccccc2)C1)c1ccccc1 ZINC001246488099 1058968171 /nfs/dbraw/zinc/96/81/71/1058968171.db2.gz HPHWBDCIZFBFFJ-HBMCJLEFSA-N 1 0 306.453 4.387 20 30 DIEDRO C[NH+](C)[C@@H](CNc1cc(F)ccc1C#N)c1ccc(Cl)cc1 ZINC001559123626 1059010218 /nfs/dbraw/zinc/01/02/18/1059010218.db2.gz JFDCDSFOPKDWNV-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO C#C[C@H](Nc1cc(CC)nc(CC)n1)c1ccc(Cl)cc1F ZINC001559187620 1059071983 /nfs/dbraw/zinc/07/19/83/1059071983.db2.gz BKCSZNBPEYLXAA-HNNXBMFYSA-N 1 0 317.795 4.180 20 30 DIEDRO CC(C)[C@H]1C[C@@H](N(CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769151 1059073639 /nfs/dbraw/zinc/07/36/39/1059073639.db2.gz IMKDGJWBGYIOAR-RBUKOAKNSA-N 1 0 305.510 4.092 20 30 DIEDRO CCCCCCC[N@H+](C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246781111 1059077700 /nfs/dbraw/zinc/07/77/00/1059077700.db2.gz XJUQOHBIARQTQZ-VQTJNVASSA-N 1 0 302.506 4.252 20 30 DIEDRO CCCCCCC[C@@H](C)N(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950085 1059193522 /nfs/dbraw/zinc/19/35/22/1059193522.db2.gz SOJMFMXOCBMFSI-UYAOXDASSA-N 1 0 317.521 4.385 20 30 DIEDRO CCCCCCC[C@@H](C)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246954305 1059198534 /nfs/dbraw/zinc/19/85/34/1059198534.db2.gz YDYMOUYCOHLXQO-QUCCMNQESA-N 1 0 317.521 4.385 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCNC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978592 1059224794 /nfs/dbraw/zinc/22/47/94/1059224794.db2.gz WKKUEOFZLCRNBR-BBRMVZONSA-N 1 0 312.379 4.006 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(C)cc(C)nc1C ZINC001559484033 1059255308 /nfs/dbraw/zinc/25/53/08/1059255308.db2.gz FSCVYHJNGWCRFQ-UHFFFAOYSA-N 1 0 307.441 4.291 20 30 DIEDRO CCCCCCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001559482900 1059256155 /nfs/dbraw/zinc/25/61/55/1059256155.db2.gz RWSBRXOCROBSGY-UHFFFAOYSA-N 1 0 319.449 4.077 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CC(C)(C)OC1(C)C ZINC001559484574 1059258125 /nfs/dbraw/zinc/25/81/25/1059258125.db2.gz ZMVSLGYTVAVTJP-GOSISDBHSA-N 1 0 314.473 4.364 20 30 DIEDRO C=CC[NH2+]Cc1nc2ccc(F)c(F)c2n1C1CCCCC1 ZINC001247041605 1059261721 /nfs/dbraw/zinc/26/17/21/1059261721.db2.gz LYIAJPINLHPFQF-UHFFFAOYSA-N 1 0 305.372 4.095 20 30 DIEDRO CC[N@H+](C[C@@H]1CCC2(CCC2)CO1)[C@@H](C)c1ccc(C#N)cc1 ZINC001559494288 1059275726 /nfs/dbraw/zinc/27/57/26/1059275726.db2.gz BCZQTHUCTSACPV-LPHOPBHVSA-N 1 0 312.457 4.290 20 30 DIEDRO C#CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)[C@H]1CCc2ccccc21 ZINC001559499593 1059284274 /nfs/dbraw/zinc/28/42/74/1059284274.db2.gz YICBTXGCEBGCJJ-JTSKRJEESA-N 1 0 319.448 4.421 20 30 DIEDRO CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCCC[N@@H+]1C(C)C ZINC001559507813 1059297489 /nfs/dbraw/zinc/29/74/89/1059297489.db2.gz YGSOVRMPFKZCIZ-HXUWFJFHSA-N 1 0 313.489 4.032 20 30 DIEDRO CC[C@@H](C)[C@@H](C)[N@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC001559530978 1059331155 /nfs/dbraw/zinc/33/11/55/1059331155.db2.gz IQQHVRXIMFDBPF-HZPDHXFCSA-N 1 0 300.446 4.226 20 30 DIEDRO CCC[N@H+](CCc1ccc(C#N)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001559550793 1059359106 /nfs/dbraw/zinc/35/91/06/1059359106.db2.gz RKZFGFFHFKRVLQ-RTBURBONSA-N 1 0 314.473 4.016 20 30 DIEDRO C=CCCCCC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001559682139 1059511017 /nfs/dbraw/zinc/51/10/17/1059511017.db2.gz ADRNUQIUHXJHAO-UHFFFAOYSA-N 1 0 313.441 4.293 20 30 DIEDRO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC001559685128 1059514215 /nfs/dbraw/zinc/51/42/15/1059514215.db2.gz SZIPYUFKPYFKEL-FQEVSTJZSA-N 1 0 306.453 4.447 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(Cl)c(OC)c1 ZINC001559688727 1059516368 /nfs/dbraw/zinc/51/63/68/1059516368.db2.gz BQIWPNGFOTXXKV-UHFFFAOYSA-N 1 0 305.805 4.172 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC001559694816 1059522832 /nfs/dbraw/zinc/52/28/32/1059522832.db2.gz JGNLXJAKFHFYKR-LJQANCHMSA-N 1 0 318.424 4.064 20 30 DIEDRO C=CCCCC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001559696888 1059525459 /nfs/dbraw/zinc/52/54/59/1059525459.db2.gz MFLOLOACNGHZTG-UHFFFAOYSA-N 1 0 301.430 4.173 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)c1 ZINC001559698946 1059525687 /nfs/dbraw/zinc/52/56/87/1059525687.db2.gz LBWPIJCMPCMYKM-GTPINHCMSA-N 1 0 300.446 4.454 20 30 DIEDRO C#CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1 ZINC001559702671 1059529610 /nfs/dbraw/zinc/52/96/10/1059529610.db2.gz YIRFKVPYWWGVLZ-HKBOAZHASA-N 1 0 305.421 4.261 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001559701170 1059529887 /nfs/dbraw/zinc/52/98/87/1059529887.db2.gz NZCJERLPCIUZEG-MSOLQXFVSA-N 1 0 307.865 4.488 20 30 DIEDRO N#Cc1cccc([C@H](O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC001559704443 1059531530 /nfs/dbraw/zinc/53/15/30/1059531530.db2.gz NVWSGZDKFVMWFE-LEWJYISDSA-N 1 0 320.436 4.113 20 30 DIEDRO C[C@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC001559717724 1059547962 /nfs/dbraw/zinc/54/79/62/1059547962.db2.gz WJFHPEUITKMJSE-OXQOHEQNSA-N 1 0 312.457 4.148 20 30 DIEDRO C=C(Cc1ccccc1)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001247574050 1059557709 /nfs/dbraw/zinc/55/77/09/1059557709.db2.gz SMBBJGAADATFDU-UHFFFAOYSA-N 1 0 319.408 4.054 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001559730631 1059563704 /nfs/dbraw/zinc/56/37/04/1059563704.db2.gz LSQGSMDGWRGFCK-ZDUSSCGKSA-N 1 0 305.397 4.497 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC001559745532 1059579448 /nfs/dbraw/zinc/57/94/48/1059579448.db2.gz UMBAHWKQTUCJMU-UHFFFAOYSA-N 1 0 320.274 4.391 20 30 DIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(CC#N)CC1 ZINC001559755290 1059591372 /nfs/dbraw/zinc/59/13/72/1059591372.db2.gz XCNIPVREPMBKGE-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC001559766800 1059603216 /nfs/dbraw/zinc/60/32/16/1059603216.db2.gz NZVBGCGKDIXIRJ-IBGZPJMESA-N 1 0 312.363 4.286 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1(CC)CC ZINC001559774597 1059612100 /nfs/dbraw/zinc/61/21/00/1059612100.db2.gz CUIRYBINDWBKIW-FHLIZLRMSA-N 1 0 300.446 4.193 20 30 DIEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC001559773934 1059613075 /nfs/dbraw/zinc/61/30/75/1059613075.db2.gz WBMUJBWGWXUEBI-OAHLLOKOSA-N 1 0 321.262 4.379 20 30 DIEDRO C=C(Cl)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001559778745 1059614778 /nfs/dbraw/zinc/61/47/78/1059614778.db2.gz YMAXXTVCTSQEPQ-ZDUSSCGKSA-N 1 0 318.617 4.381 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC001559816539 1059653304 /nfs/dbraw/zinc/65/33/04/1059653304.db2.gz INSPHHXJKOMMHN-YPAWHYETSA-N 1 0 316.448 4.369 20 30 DIEDRO N#CCC1(C[N@H+](Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC001559829485 1059661305 /nfs/dbraw/zinc/66/13/05/1059661305.db2.gz VBNZDLJDFWPMKR-UHFFFAOYSA-N 1 0 306.812 4.385 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001559827574 1059662548 /nfs/dbraw/zinc/66/25/48/1059662548.db2.gz RCZOANLOHJQYFB-UHFFFAOYSA-N 1 0 302.421 4.304 20 30 DIEDRO C[C@H]([NH2+]CCc1nsc2ccccc21)c1ccc(C#N)cc1 ZINC001559832781 1059663884 /nfs/dbraw/zinc/66/38/84/1059663884.db2.gz ZTOCHRMDSDCTCY-ZDUSSCGKSA-N 1 0 307.422 4.061 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001559830982 1059665293 /nfs/dbraw/zinc/66/52/93/1059665293.db2.gz TXACMOYKUPKITC-BLLLJJGKSA-N 1 0 311.347 4.428 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C ZINC001559843662 1059672156 /nfs/dbraw/zinc/67/21/56/1059672156.db2.gz LERFZXQYMIJHOW-HNNXBMFYSA-N 1 0 310.388 4.464 20 30 DIEDRO CCCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCC[C@@H](C)C1 ZINC001559870596 1059690418 /nfs/dbraw/zinc/69/04/18/1059690418.db2.gz BOSJXBUOJIEMPD-KZNAEPCWSA-N 1 0 306.494 4.112 20 30 DIEDRO COC[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1cccc(Cl)c1 ZINC001559885953 1059707484 /nfs/dbraw/zinc/70/74/84/1059707484.db2.gz AXSQUTXIRCKBPZ-QGZVFWFLSA-N 1 0 320.864 4.481 20 30 DIEDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001559906700 1059722081 /nfs/dbraw/zinc/72/20/81/1059722081.db2.gz XLQVBQGMAWOFEM-HXUWFJFHSA-N 1 0 320.436 4.226 20 30 DIEDRO C[N@H+](Cc1cncc(C#N)c1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911968 1059728922 /nfs/dbraw/zinc/72/89/22/1059728922.db2.gz QJISKVKAVZEGST-UXHICEINSA-N 1 0 305.425 4.111 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001559916560 1059730841 /nfs/dbraw/zinc/73/08/41/1059730841.db2.gz CCKYUJYACCDHRM-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO C[C@@H](c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1)[NH+]1CCCC1 ZINC001248122668 1059735174 /nfs/dbraw/zinc/73/51/74/1059735174.db2.gz NUSLDLOVRVYQOS-ZDUSSCGKSA-N 1 0 324.428 4.063 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CC1(C)C ZINC001559921933 1059737139 /nfs/dbraw/zinc/73/71/39/1059737139.db2.gz VKNBXNTYWKJGNW-UONOGXRCSA-N 1 0 308.372 4.074 20 30 DIEDRO C=CCCCC[N@@H+](C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001559935986 1059746735 /nfs/dbraw/zinc/74/67/35/1059746735.db2.gz WHBSWWXBEOXQAD-HXUWFJFHSA-N 1 0 300.490 4.328 20 30 DIEDRO C=CCCCC[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC001559935624 1059750785 /nfs/dbraw/zinc/75/07/85/1059750785.db2.gz PKIZMUUFOVWIKL-UHFFFAOYSA-N 1 0 324.262 4.393 20 30 DIEDRO CCCCCCCc1ccc(-c2noc([C@@H]3C=CC[NH2+]3)n2)cc1 ZINC001248229633 1059755104 /nfs/dbraw/zinc/75/51/04/1059755104.db2.gz RJFVRMKCUWULSK-KRWDZBQOSA-N 1 0 311.429 4.450 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCSCc3ccccc3)CCC2)cc1 ZINC001559947396 1059762152 /nfs/dbraw/zinc/76/21/52/1059762152.db2.gz ROJOOCQJBNSFNH-UHFFFAOYSA-N 1 0 322.477 4.460 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCOC3CCCCCC3)CCC2)cc1 ZINC001559947569 1059762172 /nfs/dbraw/zinc/76/21/72/1059762172.db2.gz WOPUZJJTYWAARN-UHFFFAOYSA-N 1 0 312.457 4.266 20 30 DIEDRO CC(C)[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccccc1F ZINC001559980341 1059784175 /nfs/dbraw/zinc/78/41/75/1059784175.db2.gz KYRJOLQNEAQNSL-IBGZPJMESA-N 1 0 312.388 4.063 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cscc2Br)C1 ZINC001559982977 1059790320 /nfs/dbraw/zinc/79/03/20/1059790320.db2.gz CDDIIMOUFBSJGZ-LLVKDONJSA-N 1 0 300.265 4.299 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C)COC ZINC001559992438 1059798494 /nfs/dbraw/zinc/79/84/94/1059798494.db2.gz AFTXJAHKURKCQX-NSHDSACASA-N 1 0 321.770 4.382 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001559993701 1059802788 /nfs/dbraw/zinc/80/27/88/1059802788.db2.gz FRYMYQBQMMFJRY-PBHICJAKSA-N 1 0 321.848 4.351 20 30 DIEDRO COc1cccc([C@@]2(C)CC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC001560000985 1059806869 /nfs/dbraw/zinc/80/68/69/1059806869.db2.gz SAYUMJHWUJCUGS-IERDGZPVSA-N 1 0 320.436 4.291 20 30 DIEDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001560003692 1059810258 /nfs/dbraw/zinc/81/02/58/1059810258.db2.gz AIVPTAANNBFTNG-CHWSQXEVSA-N 1 0 308.372 4.170 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC001560027187 1059838998 /nfs/dbraw/zinc/83/89/98/1059838998.db2.gz VGAPEVLRBSFKNK-CQSZACIVSA-N 1 0 313.363 4.372 20 30 DIEDRO C=CC[C@H]1CC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC001560026818 1059843120 /nfs/dbraw/zinc/84/31/20/1059843120.db2.gz HPNPOUXACNXXTP-KRWDZBQOSA-N 1 0 312.482 4.326 20 30 DIEDRO SC1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC1 ZINC001248520384 1059862313 /nfs/dbraw/zinc/86/23/13/1059862313.db2.gz TWNNSNPUSLEUBJ-UHFFFAOYSA-N 1 0 318.873 4.296 20 30 DIEDRO Cc1cncc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)c1 ZINC001560086243 1059896928 /nfs/dbraw/zinc/89/69/28/1059896928.db2.gz ZZDJGVGRPVJDKQ-IBGZPJMESA-N 1 0 310.828 4.232 20 30 DIEDRO C=CC[C@H](C(=O)OC)[N@H+](CCc1ccccc1)CCC(C)(C)C ZINC001560099180 1059908059 /nfs/dbraw/zinc/90/80/59/1059908059.db2.gz DECFKJSOTNRNOK-GOSISDBHSA-N 1 0 317.473 4.085 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC001560110231 1059916105 /nfs/dbraw/zinc/91/61/05/1059916105.db2.gz FRBFWTQUQTZQIU-UHFFFAOYSA-N 1 0 317.399 4.468 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ncco2)cc1F)c1cccc(C#N)c1 ZINC001560135605 1059939920 /nfs/dbraw/zinc/93/99/20/1059939920.db2.gz VHLQONFTYQQSEB-ZDUSSCGKSA-N 1 0 321.355 4.203 20 30 DIEDRO CC(C)C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccccn1 ZINC001560161512 1059953956 /nfs/dbraw/zinc/95/39/56/1059953956.db2.gz BDRRPFZJDNGIFZ-UHFFFAOYSA-N 1 0 312.844 4.245 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC001248751401 1059964343 /nfs/dbraw/zinc/96/43/43/1059964343.db2.gz VXCXVEOPBFLITJ-NRFANRHFSA-N 1 0 320.436 4.466 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001248751494 1059966342 /nfs/dbraw/zinc/96/63/42/1059966342.db2.gz YDIYSRGYUGGFFN-SFHVURJKSA-N 1 0 308.400 4.249 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)n1C)C1CCCCC1 ZINC001248777389 1059976099 /nfs/dbraw/zinc/97/60/99/1059976099.db2.gz LNFAFBSPUBKMJQ-UHFFFAOYSA-N 1 0 311.267 4.108 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCCC[C@H]2Cc2ccc(O)cc2)c1F ZINC001560216537 1059991400 /nfs/dbraw/zinc/99/14/00/1059991400.db2.gz DPRDHIJPHDZLBC-SFHVURJKSA-N 1 0 324.399 4.000 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCc2ccccc21 ZINC001248817712 1059996311 /nfs/dbraw/zinc/99/63/11/1059996311.db2.gz HIYNZPGYNXDIDS-HXUWFJFHSA-N 1 0 318.395 4.430 20 30 DIEDRO CCCCCCCC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC001560251133 1060018482 /nfs/dbraw/zinc/01/84/82/1060018482.db2.gz DKHICKVASPDHFD-UHFFFAOYSA-N 1 0 309.523 4.370 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCC1CCCCC1 ZINC001560263422 1060032303 /nfs/dbraw/zinc/03/23/03/1060032303.db2.gz DAEXBFRSFUCTHO-UHFFFAOYSA-N 1 0 305.849 4.412 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC001560265543 1060037449 /nfs/dbraw/zinc/03/74/49/1060037449.db2.gz UVPZLZXJGNCTHF-UHFFFAOYSA-N 1 0 321.464 4.328 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccsc2)N(CC)CC)C1 ZINC001560265660 1060037919 /nfs/dbraw/zinc/03/79/19/1060037919.db2.gz ZXIYVSVCJHRQDB-NXHRZFHOSA-N 1 0 306.519 4.465 20 30 DIEDRO CC(C)(C)c1cc(O)c(C[NH+]2CCC(C)(C#N)CC2)cc1Cl ZINC001248884082 1060039076 /nfs/dbraw/zinc/03/90/76/1060039076.db2.gz WTJHRAFHOYQHND-UHFFFAOYSA-N 1 0 320.864 4.469 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001560271784 1060046655 /nfs/dbraw/zinc/04/66/55/1060046655.db2.gz CLARHGAZEMLLGG-LSDHHAIUSA-N 1 0 313.363 4.462 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC001560284056 1060061385 /nfs/dbraw/zinc/06/13/85/1060061385.db2.gz AGLCMIIWRWISRF-PVAVHDDUSA-N 1 0 301.430 4.243 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1ccc(C#N)cc1 ZINC001560296557 1060079213 /nfs/dbraw/zinc/07/92/13/1060079213.db2.gz WQFOVFCIQMMEPL-LLVKDONJSA-N 1 0 311.772 4.204 20 30 DIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001560301175 1060087827 /nfs/dbraw/zinc/08/78/27/1060087827.db2.gz LFYXRMMNMHORNK-FHLIZLRMSA-N 1 0 302.437 4.495 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001560325122 1060112213 /nfs/dbraw/zinc/11/22/13/1060112213.db2.gz URXXVPHZOLMCAM-AWEZNQCLSA-N 1 0 317.354 4.408 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccncc1 ZINC001560338770 1060125580 /nfs/dbraw/zinc/12/55/80/1060125580.db2.gz METVNYUGSAGFMN-MRXNPFEDSA-N 1 0 304.340 4.090 20 30 DIEDRO CCC1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC001560362243 1060148890 /nfs/dbraw/zinc/14/88/90/1060148890.db2.gz BEQGMYOGRKACMC-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO CCCCCCCOc1ccc(-c2noc(C[NH2+]CC)n2)cc1 ZINC001249136127 1060169756 /nfs/dbraw/zinc/16/97/56/1060169756.db2.gz LXJDJVCGDPXSKL-UHFFFAOYSA-N 1 0 317.433 4.195 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccccc1 ZINC001560406932 1060190899 /nfs/dbraw/zinc/19/08/99/1060190899.db2.gz XLKIZMCPYGOFHJ-KRWDZBQOSA-N 1 0 308.381 4.331 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001560415064 1060199698 /nfs/dbraw/zinc/19/96/98/1060199698.db2.gz WOFXUFTYBYYGDE-LBPRGKRZSA-N 1 0 307.235 4.155 20 30 DIEDRO C=CCCOCC[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560429511 1060216043 /nfs/dbraw/zinc/21/60/43/1060216043.db2.gz OJFNSJMTCBXQCI-KRWDZBQOSA-N 1 0 303.490 4.345 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)C[C@@H]1C ZINC001560433906 1060219825 /nfs/dbraw/zinc/21/98/25/1060219825.db2.gz CUSRBFQBRHLMEL-XUJVJEKNSA-N 1 0 321.262 4.235 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)C[C@@H]1C ZINC001560433905 1060220562 /nfs/dbraw/zinc/22/05/62/1060220562.db2.gz CUSRBFQBRHLMEL-TYNCELHUSA-N 1 0 321.262 4.235 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC001560449554 1060239362 /nfs/dbraw/zinc/23/93/62/1060239362.db2.gz WOENRZNHZWTNLH-UHFFFAOYSA-N 1 0 319.246 4.443 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429559 1060247891 /nfs/dbraw/zinc/24/78/91/1060247891.db2.gz HDXBWUVXVRJLKJ-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc3ccc(C#N)cc3[nH]2)cn1 ZINC001249430243 1060248822 /nfs/dbraw/zinc/24/88/22/1060248822.db2.gz JEHKJEGCDWFGSL-FQEVSTJZSA-N 1 0 316.408 4.080 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC001560461789 1060252868 /nfs/dbraw/zinc/25/28/68/1060252868.db2.gz RMOGQJMXHMZILL-PXNSSMCTSA-N 1 0 308.400 4.432 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC001560468131 1060259713 /nfs/dbraw/zinc/25/97/13/1060259713.db2.gz KVOWRRFMWFKVQV-UHFFFAOYSA-N 1 0 320.506 4.449 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001249503893 1060265474 /nfs/dbraw/zinc/26/54/74/1060265474.db2.gz LSUOMRFZAMLSPJ-INIZCTEOSA-N 1 0 322.408 4.310 20 30 DIEDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC001560477178 1060266849 /nfs/dbraw/zinc/26/68/49/1060266849.db2.gz YNXXYOOWCBGYKB-ROUUACIJSA-N 1 0 300.446 4.285 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@@H](CCC)c2ccccc2)cc1 ZINC001560477262 1060266872 /nfs/dbraw/zinc/26/68/72/1060266872.db2.gz HSJIKDDIHSMDQT-HXUWFJFHSA-N 1 0 307.437 4.372 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2c(C)cc(Cl)cc2C)cc1 ZINC001560477269 1060267480 /nfs/dbraw/zinc/26/74/80/1060267480.db2.gz HTNHKJSATJBYIJ-UHFFFAOYSA-N 1 0 313.828 4.259 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cc2c(C)nn(C(C)(C)C)c2nc1Cl ZINC001560480001 1060272813 /nfs/dbraw/zinc/27/28/13/1060272813.db2.gz LNXMDYZCPDRWFA-UHFFFAOYSA-N 1 0 320.868 4.204 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001560485062 1060278325 /nfs/dbraw/zinc/27/83/25/1060278325.db2.gz IAQSNHKLOSZJNW-UHFFFAOYSA-N 1 0 301.352 4.406 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC001560489618 1060282305 /nfs/dbraw/zinc/28/23/05/1060282305.db2.gz UWRUKJUQZZADME-FZMZJTMJSA-N 1 0 312.226 4.423 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001560503444 1060299059 /nfs/dbraw/zinc/29/90/59/1060299059.db2.gz NGOCJPTWTUVPCN-UHFFFAOYSA-N 1 0 300.471 4.440 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cccc(Oc3ccccn3)c2)c1 ZINC001560503132 1060299206 /nfs/dbraw/zinc/29/92/06/1060299206.db2.gz BUFRNTOCIGGBBF-UHFFFAOYSA-N 1 0 314.388 4.145 20 30 DIEDRO C=C[C@H](CC)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001534590280 1060310622 /nfs/dbraw/zinc/31/06/22/1060310622.db2.gz WAYCMOSRNSWHIO-QGZVFWFLSA-N 1 0 314.473 4.256 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(CC#N)cc2)cc1C ZINC001560515464 1060316074 /nfs/dbraw/zinc/31/60/74/1060316074.db2.gz YRSXPGAJWIPXIF-UHFFFAOYSA-N 1 0 308.425 4.140 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC001560530959 1060330764 /nfs/dbraw/zinc/33/07/64/1060330764.db2.gz RPGZYPSLWMJUTD-WMLDXEAASA-N 1 0 321.436 4.458 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c1F ZINC001249680150 1060342780 /nfs/dbraw/zinc/34/27/80/1060342780.db2.gz FDRPBQFLDVGSEM-UHFFFAOYSA-N 1 0 318.395 4.258 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)c1F ZINC001249684998 1060346149 /nfs/dbraw/zinc/34/61/49/1060346149.db2.gz ANXPTMRDWAAMMI-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)c1F ZINC001249684990 1060347713 /nfs/dbraw/zinc/34/77/13/1060347713.db2.gz ANXPTMRDWAAMMI-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1F ZINC001249687323 1060348652 /nfs/dbraw/zinc/34/86/52/1060348652.db2.gz AOLQORUQWGLHAK-KRWDZBQOSA-N 1 0 308.400 4.467 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1cccc(C#N)c1F ZINC001249687950 1060351152 /nfs/dbraw/zinc/35/11/52/1060351152.db2.gz VRRQZEUGAAWPAI-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC001560555065 1060363897 /nfs/dbraw/zinc/36/38/97/1060363897.db2.gz YFPJOLOACVSCHS-UHFFFAOYSA-N 1 0 301.459 4.287 20 30 DIEDRO CC(C)[C@](C)(Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC001560558670 1060366466 /nfs/dbraw/zinc/36/64/66/1060366466.db2.gz GJSDKQVRRZXZGX-FQEVSTJZSA-N 1 0 310.416 4.444 20 30 DIEDRO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC001560573084 1060384929 /nfs/dbraw/zinc/38/49/29/1060384929.db2.gz FBKSHCQTMFYXPM-UHFFFAOYSA-N 1 0 314.816 4.289 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC001560579011 1060393601 /nfs/dbraw/zinc/39/36/01/1060393601.db2.gz SFTYKXPJMLDKPI-CQSZACIVSA-N 1 0 303.446 4.101 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2ccc3ncccc3c2)c1 ZINC001560589793 1060402780 /nfs/dbraw/zinc/40/27/80/1060402780.db2.gz BRCNZSHBVAPSGW-UHFFFAOYSA-N 1 0 318.420 4.132 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1sccc1Cl ZINC001560597539 1060409911 /nfs/dbraw/zinc/40/99/11/1060409911.db2.gz RYAUPHSNIHFPFH-UHFFFAOYSA-N 1 0 304.846 4.384 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCC1 ZINC001560598694 1060412252 /nfs/dbraw/zinc/41/22/52/1060412252.db2.gz KIPSUSKHVSLARV-UHFFFAOYSA-N 1 0 324.493 4.420 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001560609689 1060424604 /nfs/dbraw/zinc/42/46/04/1060424604.db2.gz VFLXJMFPCCJQAS-TZIWHRDSSA-N 1 0 319.448 4.057 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2csc(C#N)c2)C12CCCCC2 ZINC001560668213 1060495459 /nfs/dbraw/zinc/49/54/59/1060495459.db2.gz DQOYXEYXXBSFNY-IRXDYDNUSA-N 1 0 318.486 4.179 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC001560676062 1060511461 /nfs/dbraw/zinc/51/14/61/1060511461.db2.gz ZXTYUUMTCSRILF-OWOJBTEDSA-N 1 0 318.395 4.500 20 30 DIEDRO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCOc2ccccc21 ZINC001560682598 1060529444 /nfs/dbraw/zinc/52/94/44/1060529444.db2.gz GDFFMWCSOZBIIH-MRXNPFEDSA-N 1 0 311.400 4.380 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1OC ZINC001560687247 1060530010 /nfs/dbraw/zinc/53/00/10/1060530010.db2.gz IXOTXVAIRQKHBK-BETUJISGSA-N 1 0 309.837 4.001 20 30 DIEDRO CC[N@H+](CCc1cccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001560685213 1060533095 /nfs/dbraw/zinc/53/30/95/1060533095.db2.gz NPBYRLAGXSDZPN-UHFFFAOYSA-N 1 0 310.466 4.368 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Cc3ccccc3F)CC2)cc1 ZINC001560690477 1060536879 /nfs/dbraw/zinc/53/68/79/1060536879.db2.gz VKDUPGHOWPCCND-UHFFFAOYSA-N 1 0 307.412 4.262 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001560736790 1060605856 /nfs/dbraw/zinc/60/58/56/1060605856.db2.gz MNKDRPPPGZLYPK-WSTZPKSXSA-N 1 0 300.490 4.231 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC001560804197 1060663549 /nfs/dbraw/zinc/66/35/49/1060663549.db2.gz VIWFEZWEPJJYFP-AWEZNQCLSA-N 1 0 305.849 4.363 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c(F)c1 ZINC001560818607 1060676483 /nfs/dbraw/zinc/67/64/83/1060676483.db2.gz PLMNFCBTFUGDQJ-ZVDOUQERSA-N 1 0 320.411 4.465 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC001560821208 1060679568 /nfs/dbraw/zinc/67/95/68/1060679568.db2.gz OJBUQVWDPDTHQA-SFHVURJKSA-N 1 0 316.489 4.138 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC001560820835 1060679827 /nfs/dbraw/zinc/67/98/27/1060679827.db2.gz HGWQBZIPTUHGQE-UHFFFAOYSA-N 1 0 309.837 4.353 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](SC)C1)c1ccc(Cl)cc1F ZINC001560825791 1060684041 /nfs/dbraw/zinc/68/40/41/1060684041.db2.gz XRALPTPHFAVSAY-IOASZLSFSA-N 1 0 311.853 4.417 20 30 DIEDRO C=CCC1(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)CCCC1 ZINC001560831578 1060688397 /nfs/dbraw/zinc/68/83/97/1060688397.db2.gz QEBSFXLDLLCUGA-MRXNPFEDSA-N 1 0 315.457 4.463 20 30 DIEDRO C=CCC1(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001560831652 1060689656 /nfs/dbraw/zinc/68/96/56/1060689656.db2.gz RTLLSVWFOKHHOY-INIZCTEOSA-N 1 0 322.493 4.112 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001560832657 1060691499 /nfs/dbraw/zinc/69/14/99/1060691499.db2.gz KEVQZDBJKOPKOP-CQSZACIVSA-N 1 0 306.400 4.159 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC001560842562 1060698115 /nfs/dbraw/zinc/69/81/15/1060698115.db2.gz AZPALXFGONJDQX-CVEARBPZSA-N 1 0 314.256 4.249 20 30 DIEDRO C=CCCCC[C@H](C)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC001560851583 1060710445 /nfs/dbraw/zinc/71/04/45/1060710445.db2.gz YCCSLLICGOMPSK-KRWDZBQOSA-N 1 0 316.493 4.473 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1 ZINC001560852525 1060711536 /nfs/dbraw/zinc/71/15/36/1060711536.db2.gz IOVBCADOECERQE-MRXNPFEDSA-N 1 0 305.462 4.217 20 30 DIEDRO CC(C)[C@@H]1[N@H+](Cc2ccc(C#N)c(F)c2)CC12CCCCC2 ZINC001560878366 1060738959 /nfs/dbraw/zinc/73/89/59/1060738959.db2.gz UAQWELWBTRXPEZ-SFHVURJKSA-N 1 0 300.421 4.488 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001560883365 1060746421 /nfs/dbraw/zinc/74/64/21/1060746421.db2.gz SBXUNZNDTSVAFV-OALUTQOASA-N 1 0 307.437 4.330 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nccc2ccccc21 ZINC001560886571 1060747849 /nfs/dbraw/zinc/74/78/49/1060747849.db2.gz GCZPRXSBAHXKJI-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001560888571 1060751203 /nfs/dbraw/zinc/75/12/03/1060751203.db2.gz BBGJYCCFIUARAY-ULQDDVLXSA-N 1 0 324.509 4.404 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C12CCCC2 ZINC001560890239 1060751441 /nfs/dbraw/zinc/75/14/41/1060751441.db2.gz FMWDEPPRTOKKJO-XUVXKRRUSA-N 1 0 324.468 4.263 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccc(-c2ccccc2)cc1 ZINC001560895400 1060756324 /nfs/dbraw/zinc/75/63/24/1060756324.db2.gz OPIROFOFDLRVIW-WTNAPCKOSA-N 1 0 321.464 4.465 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001560893737 1060757022 /nfs/dbraw/zinc/75/70/22/1060757022.db2.gz VWNVBUMMLWWOHS-OWCLPIDISA-N 1 0 310.482 4.109 20 30 DIEDRO Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1Cl ZINC001560897453 1060760303 /nfs/dbraw/zinc/76/03/03/1060760303.db2.gz BJBLGHQPNJWBGQ-HRCADAONSA-N 1 0 320.864 4.478 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001560903362 1060767152 /nfs/dbraw/zinc/76/71/52/1060767152.db2.gz UDQIPSLDWHVZFZ-OAGGEKHMSA-N 1 0 312.498 4.403 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001560910181 1060771279 /nfs/dbraw/zinc/77/12/79/1060771279.db2.gz RQVTUSDTPHGPMH-QGZVFWFLSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC001560923009 1060787791 /nfs/dbraw/zinc/78/77/91/1060787791.db2.gz OPMOIXBVIJSFRH-GOSISDBHSA-N 1 0 309.457 4.277 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CC=C)C1 ZINC001560922944 1060787972 /nfs/dbraw/zinc/78/79/72/1060787972.db2.gz MLXYPELKJMZUPW-OAHLLOKOSA-N 1 0 303.833 4.140 20 30 DIEDRO C=CCCC1(C[NH2+]C[C@@H]2C[C@@]2(C)Br)CCCC1 ZINC001560928769 1060792302 /nfs/dbraw/zinc/79/23/02/1060792302.db2.gz BPTGZJMPKOTKOA-UONOGXRCSA-N 1 0 300.284 4.276 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001560948229 1060814319 /nfs/dbraw/zinc/81/43/19/1060814319.db2.gz REHPLGFWTMEWHA-NSHDSACASA-N 1 0 301.739 4.204 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001560962854 1060827914 /nfs/dbraw/zinc/82/79/14/1060827914.db2.gz HMUZINXOCFULEJ-UHFFFAOYSA-N 1 0 312.498 4.119 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001560980566 1060844569 /nfs/dbraw/zinc/84/45/69/1060844569.db2.gz VGAOJPBKKPWWFS-GOSISDBHSA-N 1 0 311.473 4.026 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCCc2cc(OC)c(OC)cc21 ZINC001560985862 1060850249 /nfs/dbraw/zinc/85/02/49/1060850249.db2.gz OKDMECGCGXEQRD-PBHICJAKSA-N 1 0 303.446 4.416 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@@H]1CC[C@@H](C(=O)OC)C1)c1ccccc1 ZINC001560986929 1060851337 /nfs/dbraw/zinc/85/13/37/1060851337.db2.gz NEPLZGVAJURBGY-KURKYZTESA-N 1 0 301.430 4.015 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C1CCC(C(=O)OC)CC1)c1ccccc1 ZINC001560986900 1060851581 /nfs/dbraw/zinc/85/15/81/1060851581.db2.gz MZOPPWIRJNQESL-CTWPCTMYSA-N 1 0 315.457 4.405 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cc(C#N)ccc1F ZINC001561008329 1060867983 /nfs/dbraw/zinc/86/79/83/1060867983.db2.gz WVJDPNMXVUSPNG-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cc(C#N)ccc1F ZINC001561008330 1060868922 /nfs/dbraw/zinc/86/89/22/1060868922.db2.gz WVJDPNMXVUSPNG-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cccc(OC)c1OCC1CC1 ZINC001250528516 1060875502 /nfs/dbraw/zinc/87/55/02/1060875502.db2.gz VRDNPGPSVSCQFO-UHFFFAOYSA-N 1 0 303.446 4.272 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cn(-c2ccccc2F)nc1C ZINC001561037485 1060890387 /nfs/dbraw/zinc/89/03/87/1060890387.db2.gz KBMHZCAOVPBPCE-UHFFFAOYSA-N 1 0 301.409 4.108 20 30 DIEDRO N#Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001250586673 1060919840 /nfs/dbraw/zinc/91/98/40/1060919840.db2.gz NNZFKRCVMSCZFS-RTWAWAEBSA-N 1 0 300.405 4.379 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 ZINC001462122201 1060943399 /nfs/dbraw/zinc/94/33/99/1060943399.db2.gz BSGBVMBLXDTIMC-FHWLQOOXSA-N 1 0 315.844 4.046 20 30 DIEDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC001473201147 1060961972 /nfs/dbraw/zinc/96/19/72/1060961972.db2.gz OVSIJIYZLUYGJS-MRXNPFEDSA-N 1 0 304.437 4.435 20 30 DIEDRO C#CC[N@@H+](CC)Cc1cccc2c(Br)cccc12 ZINC001473207426 1060968768 /nfs/dbraw/zinc/96/87/68/1060968768.db2.gz RFQQTEYNOFIZLZ-UHFFFAOYSA-N 1 0 302.215 4.057 20 30 DIEDRO CC[C@H](C)C[N@H+](CC)Cc1cc(C#N)ccc1Br ZINC001473204771 1060971377 /nfs/dbraw/zinc/97/13/77/1060971377.db2.gz ZJGWXOUSIQLMED-LBPRGKRZSA-N 1 0 309.251 4.189 20 30 DIEDRO C#CC[N@@H+](CC)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001473207651 1060972889 /nfs/dbraw/zinc/97/28/89/1060972889.db2.gz XROIFLMMTUHUFS-UHFFFAOYSA-N 1 0 309.253 4.179 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)ccc1C#N ZINC001462181041 1061002155 /nfs/dbraw/zinc/00/21/55/1061002155.db2.gz DTDSBBQBIKDTBP-OXQOHEQNSA-N 1 0 320.436 4.253 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1(CC)CC ZINC001473242662 1061019515 /nfs/dbraw/zinc/01/95/15/1061019515.db2.gz DOAWNIUYJKZOLP-MSOLQXFVSA-N 1 0 318.436 4.113 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC001462205171 1061024455 /nfs/dbraw/zinc/02/44/55/1061024455.db2.gz ZBHOFUWKALKFME-LEWJYISDSA-N 1 0 321.468 4.285 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC001462205180 1061024915 /nfs/dbraw/zinc/02/49/15/1061024915.db2.gz ZBHOFUWKALKFME-SFTDATJTSA-N 1 0 321.468 4.285 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2cccc(CC#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC001462246013 1061051361 /nfs/dbraw/zinc/05/13/61/1061051361.db2.gz DKFZBWJPZRSJCM-DYESRHJHSA-N 1 0 319.452 4.075 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)cc1F ZINC001462273601 1061067038 /nfs/dbraw/zinc/06/70/38/1061067038.db2.gz IPOVBXDLUPPTMY-OALUTQOASA-N 1 0 308.400 4.371 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(C#N)c(C)c3)C2)cc1 ZINC001462282043 1061076308 /nfs/dbraw/zinc/07/63/08/1061076308.db2.gz ITSQMMMAXWXFJY-OAQYLSRUSA-N 1 0 304.437 4.419 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)CCC)c1ccc(C(F)(F)F)cc1 ZINC001473316826 1061082119 /nfs/dbraw/zinc/08/21/19/1061082119.db2.gz AYHKYKVMLCIJAN-HZPDHXFCSA-N 1 0 315.379 4.463 20 30 DIEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001473317974 1061082452 /nfs/dbraw/zinc/08/24/52/1061082452.db2.gz LBQIMWHRFYTBCW-UKRRQHHQSA-N 1 0 311.347 4.200 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](CC)Cc1ccc(Br)cc1)C(C)(C)C ZINC001462296782 1061085301 /nfs/dbraw/zinc/08/53/01/1061085301.db2.gz MSTHZWVAAPPYFB-HZPDHXFCSA-N 1 0 322.290 4.408 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1ccc(F)cc1 ZINC001473320155 1061085609 /nfs/dbraw/zinc/08/56/09/1061085609.db2.gz DRAMARZMZPAUJT-GOSISDBHSA-N 1 0 311.404 4.359 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1)C(C)(C)C ZINC001462295383 1061086642 /nfs/dbraw/zinc/08/66/42/1061086642.db2.gz KPVCFARXXIYJOV-CZUORRHYSA-N 1 0 320.864 4.003 20 30 DIEDRO CC[C@H]([NH2+]CCOc1ccccc1C#N)c1cccc(Cl)c1 ZINC001473326358 1061088253 /nfs/dbraw/zinc/08/82/53/1061088253.db2.gz HRNPHRDXRNURIP-KRWDZBQOSA-N 1 0 314.816 4.331 20 30 DIEDRO C=CCC[C@H]([NH2+]CCN1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001473327737 1061089280 /nfs/dbraw/zinc/08/92/80/1061089280.db2.gz SNGUEFTVKZSCRK-BJLQDIEVSA-N 1 0 300.490 4.261 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccccc1 ZINC001473328450 1061090762 /nfs/dbraw/zinc/09/07/62/1061090762.db2.gz YAHLVGJWWVSKQZ-OAQYLSRUSA-N 1 0 308.469 4.416 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001462319408 1061102802 /nfs/dbraw/zinc/10/28/02/1061102802.db2.gz QTZZMYFLRNVXNJ-XLIONFOSSA-N 1 0 302.506 4.432 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC001462346033 1061120125 /nfs/dbraw/zinc/12/01/25/1061120125.db2.gz BLHUGHYKCSJORN-AWEZNQCLSA-N 1 0 317.354 4.408 20 30 DIEDRO Cc1cc(C)c2c(c1)C[N@@H+](Cc1c(C)cc(C#N)cc1C)CC2 ZINC001473397488 1061134539 /nfs/dbraw/zinc/13/45/39/1061134539.db2.gz LUCQVZGRWKHYSZ-UHFFFAOYSA-N 1 0 304.437 4.350 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc(F)c(F)c1 ZINC001473400254 1061136379 /nfs/dbraw/zinc/13/63/79/1061136379.db2.gz NNYSOYNBDNZDJJ-RHSMWYFYSA-N 1 0 307.384 4.131 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H]1C ZINC001473405084 1061140051 /nfs/dbraw/zinc/14/00/51/1061140051.db2.gz ZXQVVYURWYXALR-BFQNTYOBSA-N 1 0 321.262 4.235 20 30 DIEDRO CCCCCCC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC001473412558 1061147785 /nfs/dbraw/zinc/14/77/85/1061147785.db2.gz SRTFCHYRZLEHGV-UHFFFAOYSA-N 1 0 307.453 4.166 20 30 DIEDRO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@H](C)CCC#N)cc1 ZINC001462409279 1061156651 /nfs/dbraw/zinc/15/66/51/1061156651.db2.gz FKTYVVISZGOCSO-SJLPKXTDSA-N 1 0 300.446 4.032 20 30 DIEDRO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1csc(C#N)c1 ZINC001462415771 1061159664 /nfs/dbraw/zinc/15/96/64/1061159664.db2.gz RZMOEKAPQWXJCL-ZDUSSCGKSA-N 1 0 302.468 4.232 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCC(C)(C)C1 ZINC001473443611 1061160580 /nfs/dbraw/zinc/16/05/80/1061160580.db2.gz OTLIGFHSMVCOQY-CQSZACIVSA-N 1 0 321.262 4.331 20 30 DIEDRO C[C@H](CSc1ccccc1)[N@H+](C)Cc1csc(C#N)c1 ZINC001462415769 1061160812 /nfs/dbraw/zinc/16/08/12/1061160812.db2.gz RZMOEKAPQWXJCL-CYBMUJFWSA-N 1 0 302.468 4.232 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C12CCCC2 ZINC001473457379 1061169503 /nfs/dbraw/zinc/16/95/03/1061169503.db2.gz GDLIDCFHXKCLRW-MOPGFXCFSA-N 1 0 312.457 4.003 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(F)c4cccnc34)CC2)c1 ZINC001473465326 1061174294 /nfs/dbraw/zinc/17/42/94/1061174294.db2.gz NTHDIAXEHZASDS-UHFFFAOYSA-N 1 0 317.367 4.024 20 30 DIEDRO C=CCCCC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC001473472447 1061179966 /nfs/dbraw/zinc/17/99/66/1061179966.db2.gz NMRBQPCWIKFWIV-OAHLLOKOSA-N 1 0 302.245 4.147 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC001462451364 1061181596 /nfs/dbraw/zinc/18/15/96/1061181596.db2.gz LAMHXVXVBJWYSJ-UHFFFAOYSA-N 1 0 313.397 4.131 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+](CCC1CC1)CC1CC1 ZINC001462451222 1061182352 /nfs/dbraw/zinc/18/23/52/1061182352.db2.gz BYQOVSGTOWSYOP-UHFFFAOYSA-N 1 0 317.860 4.364 20 30 DIEDRO CC1(C)C[C@@]1(C[NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC001462454859 1061184222 /nfs/dbraw/zinc/18/42/22/1061184222.db2.gz XRGKEVQANXWAPE-HXUWFJFHSA-N 1 0 308.400 4.155 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(Cl)c2ccccc12 ZINC001473488045 1061188049 /nfs/dbraw/zinc/18/80/49/1061188049.db2.gz CWXHBGUTDGCTLC-MSOLQXFVSA-N 1 0 301.817 4.316 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCSc1ccccc1Cl ZINC001473488529 1061188099 /nfs/dbraw/zinc/18/80/99/1061188099.db2.gz OMQZVIJJWQBGGN-CABCVRRESA-N 1 0 311.878 4.145 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+][C@H](Cc1cccc(Cl)c1)CC(C)C ZINC001462475147 1061195598 /nfs/dbraw/zinc/19/55/98/1061195598.db2.gz GKFUEGZBNBLYCN-OALUTQOASA-N 1 0 321.892 4.315 20 30 DIEDRO CCOCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC001473516472 1061207121 /nfs/dbraw/zinc/20/71/21/1061207121.db2.gz UZGHVEPXYZBLQS-UHFFFAOYSA-N 1 0 308.425 4.130 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC001462490801 1061211737 /nfs/dbraw/zinc/21/17/37/1061211737.db2.gz IYSKBGPTIYKUPT-UHFFFAOYSA-N 1 0 305.853 4.309 20 30 DIEDRO CC(C)CC1(C)CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC001473522974 1061216075 /nfs/dbraw/zinc/21/60/75/1061216075.db2.gz KICOQXYSDWFXRJ-UHFFFAOYSA-N 1 0 314.473 4.475 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC001462521091 1061228721 /nfs/dbraw/zinc/22/87/21/1061228721.db2.gz OCGGKAUXDXEVDG-FSSWDIPSSA-N 1 0 316.448 4.125 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001473539717 1061232337 /nfs/dbraw/zinc/23/23/37/1061232337.db2.gz UQZKKDZGLQBYMM-SFTDATJTSA-N 1 0 304.437 4.369 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1c(Cl)oc3ccccc31)C2 ZINC001462522675 1061233111 /nfs/dbraw/zinc/23/31/11/1061233111.db2.gz YPPOUMCTOHQDGB-OAHLLOKOSA-N 1 0 322.795 4.215 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1 ZINC001462526896 1061237412 /nfs/dbraw/zinc/23/74/12/1061237412.db2.gz XXGUOYODGYTGNB-IDHHARJASA-N 1 0 322.456 4.466 20 30 DIEDRO Cc1ccc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)cc1C#N ZINC001462577227 1061273540 /nfs/dbraw/zinc/27/35/40/1061273540.db2.gz IVEBQXKRVYYFRA-UHFFFAOYSA-N 1 0 312.363 4.181 20 30 DIEDRO CCCCCCC[NH+]1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC001473617548 1061292481 /nfs/dbraw/zinc/29/24/81/1061292481.db2.gz YQDOTZVKYMZCMR-DOTOQJQBSA-N 1 0 319.493 4.418 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCC1CCCCC1 ZINC001473637974 1061306262 /nfs/dbraw/zinc/30/62/62/1061306262.db2.gz OHAUGZTYJOMMEM-RTBURBONSA-N 1 0 320.521 4.188 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC001473637750 1061307123 /nfs/dbraw/zinc/30/71/23/1061307123.db2.gz LGICYNKTMWHACF-ZBFHGGJFSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001473637607 1061307631 /nfs/dbraw/zinc/30/76/31/1061307631.db2.gz IYNYBZJKAAQNDQ-RHSMWYFYSA-N 1 0 320.864 4.393 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC001473637749 1061307976 /nfs/dbraw/zinc/30/79/76/1061307976.db2.gz LGICYNKTMWHACF-HOCLYGCPSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC001473637468 1061308709 /nfs/dbraw/zinc/30/87/09/1061308709.db2.gz ICUFLVSQVGGSPV-UXHICEINSA-N 1 0 301.474 4.360 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1c(Cl)nc2cc(Cl)ccn21 ZINC001462637514 1061310003 /nfs/dbraw/zinc/31/00/03/1061310003.db2.gz XEAHXMAILMPKHU-UHFFFAOYSA-N 1 0 312.244 4.429 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473638303 1061312484 /nfs/dbraw/zinc/31/24/84/1061312484.db2.gz SMTAXRDWDVIXJC-YJBOKZPZSA-N 1 0 318.417 4.088 20 30 DIEDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CCCCC1(C#N)CCC1 ZINC001473648702 1061312911 /nfs/dbraw/zinc/31/29/11/1061312911.db2.gz BKQHMINSYUFNLS-KRWDZBQOSA-N 1 0 311.473 4.191 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](CCCc2ccccc2Br)C1 ZINC001473673265 1061335103 /nfs/dbraw/zinc/33/51/03/1061335103.db2.gz GGYAFAOXEWMZNX-CQSZACIVSA-N 1 0 308.263 4.280 20 30 DIEDRO C[C@H]1CCC[C@@H](C[NH+]2CCC(Nc3ccccc3C#N)CC2)C1 ZINC001473682706 1061342727 /nfs/dbraw/zinc/34/27/27/1061342727.db2.gz BLGAFEZDXXGHAV-DLBZAZTESA-N 1 0 311.473 4.261 20 30 DIEDRO Cc1cccc([C@@H]([NH2+]CCOc2ccccc2C#N)C(C)C)c1 ZINC001473703180 1061359256 /nfs/dbraw/zinc/35/92/56/1061359256.db2.gz YUTSPQSAVSFBDK-FQEVSTJZSA-N 1 0 308.425 4.232 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)[C@]12C[C@H]1CCCC2 ZINC001473710570 1061360993 /nfs/dbraw/zinc/36/09/93/1061360993.db2.gz AGMDTDQFDZXAKE-JOQOYGCGSA-N 1 0 318.848 4.301 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001473719346 1061368872 /nfs/dbraw/zinc/36/88/72/1061368872.db2.gz HBJIYLZBIQPLRZ-SFHVURJKSA-N 1 0 300.446 4.159 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1ccccc1C(C)(C)C#N ZINC001473732033 1061380681 /nfs/dbraw/zinc/38/06/81/1061380681.db2.gz MRNYFEDQJKRTFY-UHFFFAOYSA-N 1 0 317.436 4.034 20 30 DIEDRO Cc1ccc(C[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)cc1C#N ZINC001473773058 1061401984 /nfs/dbraw/zinc/40/19/84/1061401984.db2.gz PFNHFAZHUFQUHS-KRWDZBQOSA-N 1 0 322.456 4.093 20 30 DIEDRO C#CC[N@H+](Cc1cc(Cl)ccc1OCC1CC1)C(C)(C)C ZINC001473809129 1061416155 /nfs/dbraw/zinc/41/61/55/1061416155.db2.gz NGHQDQJIIVOMCL-UHFFFAOYSA-N 1 0 305.849 4.363 20 30 DIEDRO CC(C)(C)C1CCC(C[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC001473842478 1061432225 /nfs/dbraw/zinc/43/22/25/1061432225.db2.gz YNMIEXOTQZJSFT-UHFFFAOYSA-N 1 0 319.489 4.177 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001473857598 1061436476 /nfs/dbraw/zinc/43/64/76/1061436476.db2.gz XVWHVFJLNLDPLO-OAHLLOKOSA-N 1 0 307.821 4.179 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC001473861577 1061436994 /nfs/dbraw/zinc/43/69/94/1061436994.db2.gz CIKZJUNNUYWXHF-KRWDZBQOSA-N 1 0 322.518 4.240 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001473861643 1061437615 /nfs/dbraw/zinc/43/76/15/1061437615.db2.gz FSSATOGXUCSNNK-UHFFFAOYSA-N 1 0 315.373 4.038 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccccc2COCC)c1 ZINC001473921255 1061470066 /nfs/dbraw/zinc/47/00/66/1061470066.db2.gz FIHGNLOLYWQAJK-UHFFFAOYSA-N 1 0 311.425 4.078 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)C1 ZINC001473930240 1061477238 /nfs/dbraw/zinc/47/72/38/1061477238.db2.gz CFKLPDLMPGWHHP-WBVHZDCISA-N 1 0 300.446 4.237 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)C1 ZINC001473938136 1061482239 /nfs/dbraw/zinc/48/22/39/1061482239.db2.gz CABAEIYYPLORLS-MJGOQNOKSA-N 1 0 313.489 4.152 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC001473955698 1061496355 /nfs/dbraw/zinc/49/63/55/1061496355.db2.gz MOVWIINHSJXSRV-RYUDHWBXSA-N 1 0 314.292 4.388 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC001473970803 1061515275 /nfs/dbraw/zinc/51/52/75/1061515275.db2.gz IKVCAWJJRIROJM-OCCSQVGLSA-N 1 0 324.262 4.292 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCCCc2nc(C)cs2)c1 ZINC001473976226 1061521163 /nfs/dbraw/zinc/52/11/63/1061521163.db2.gz HPDQUQIGFLRAKZ-UHFFFAOYSA-N 1 0 316.470 4.129 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2cc3cccc(CC)c3o2)CC1 ZINC001473981270 1061523729 /nfs/dbraw/zinc/52/37/29/1061523729.db2.gz AQJSLPGRIJCOQV-UHFFFAOYSA-N 1 0 312.457 4.125 20 30 DIEDRO CCCCCCCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001457945034 1061527092 /nfs/dbraw/zinc/52/70/92/1061527092.db2.gz AWNQZDJRSIXCJD-LJQANCHMSA-N 1 0 316.489 4.196 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC001473989167 1061532162 /nfs/dbraw/zinc/53/21/62/1061532162.db2.gz ULXXWXVPUNLYRX-UKRRQHHQSA-N 1 0 324.262 4.162 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+]Cc2ccc(OCC#N)cc2)cc1C ZINC001473992314 1061535202 /nfs/dbraw/zinc/53/52/02/1061535202.db2.gz UYRHZWPBFDJVOX-PLNGDYQASA-N 1 0 320.436 4.317 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)N[C@H](c1ccc([C@H](C)CC)cc1)C(C)C ZINC001463961411 1061539443 /nfs/dbraw/zinc/53/94/43/1061539443.db2.gz MEXGABBJZFALGN-BEFAXECRSA-N 1 0 316.489 4.131 20 30 DIEDRO Cc1nc(C)c(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)o1 ZINC001474015032 1061557643 /nfs/dbraw/zinc/55/76/43/1061557643.db2.gz MBFKOUCAZPYXOF-UHFFFAOYSA-N 1 0 323.421 4.181 20 30 DIEDRO CC(C)(C)Oc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC001474025912 1061568475 /nfs/dbraw/zinc/56/84/75/1061568475.db2.gz GKOQRKKNNUYDSH-UHFFFAOYSA-N 1 0 300.427 4.087 20 30 DIEDRO Cc1nc(Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1C#N ZINC001458106117 1061573747 /nfs/dbraw/zinc/57/37/47/1061573747.db2.gz FIQSGJRDYXZADZ-HNNXBMFYSA-N 1 0 320.440 4.380 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1nc2ccccc2o1 ZINC001252120047 1061577994 /nfs/dbraw/zinc/57/79/94/1061577994.db2.gz MGLLRHPVDWRSKL-HNNXBMFYSA-N 1 0 304.434 4.029 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001252121085 1061581443 /nfs/dbraw/zinc/58/14/43/1061581443.db2.gz CCRBJZVKIQCHBT-OALUTQOASA-N 1 0 304.478 4.330 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC001252123583 1061583263 /nfs/dbraw/zinc/58/32/63/1061583263.db2.gz JNRABPIFIMDNEB-HNNXBMFYSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH+]1CCC(c2cccnc2)CC1 ZINC001252130869 1061585618 /nfs/dbraw/zinc/58/56/18/1061585618.db2.gz ZSQDFCJEVMMQRM-FQEVSTJZSA-N 1 0 318.505 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC(c2cccnc2)CC1 ZINC001252130870 1061586106 /nfs/dbraw/zinc/58/61/06/1061586106.db2.gz ZSQDFCJEVMMQRM-HXUWFJFHSA-N 1 0 318.505 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001252128915 1061586302 /nfs/dbraw/zinc/58/63/02/1061586302.db2.gz RXJFEJGNOGIKKW-PKOBYXMFSA-N 1 0 304.478 4.330 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCC[C@H](SCC)C2)c1 ZINC001474040068 1061587033 /nfs/dbraw/zinc/58/70/33/1061587033.db2.gz PXHCVBJGUDXYNN-WMZOPIPTSA-N 1 0 305.487 4.405 20 30 DIEDRO Cc1cc(F)ccc1CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001474043575 1061590261 /nfs/dbraw/zinc/59/02/61/1061590261.db2.gz MMNUJJMJFWQHKG-UHFFFAOYSA-N 1 0 310.416 4.268 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001464419586 1061590348 /nfs/dbraw/zinc/59/03/48/1061590348.db2.gz QNJDAFXOJWZUOD-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCC[C@H](O)CNc1ccc(C[NH+](C)C)cc1 ZINC001252132782 1061590780 /nfs/dbraw/zinc/59/07/80/1061590780.db2.gz LECNTFJWBINVMN-IBGZPJMESA-N 1 0 306.494 4.272 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001252134177 1061591663 /nfs/dbraw/zinc/59/16/63/1061591663.db2.gz OBKNEMLJZVJWQF-MRXNPFEDSA-N 1 0 312.885 4.245 20 30 DIEDRO CCCCCCCC[C@H](O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC001252133200 1061591918 /nfs/dbraw/zinc/59/19/18/1061591918.db2.gz NBNQNEMIIVMIDB-IBGZPJMESA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cc(F)cnc1Cl ZINC001252138541 1061593803 /nfs/dbraw/zinc/59/38/03/1061593803.db2.gz AXPCUVKKAFJSNR-HNNXBMFYSA-N 1 0 316.848 4.075 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc2oc(C)nc2c1 ZINC001252135573 1061594159 /nfs/dbraw/zinc/59/41/59/1061594159.db2.gz FRMJFMLRROTPHP-KRWDZBQOSA-N 1 0 318.461 4.337 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc2ncccc12 ZINC001252137018 1061594206 /nfs/dbraw/zinc/59/42/06/1061594206.db2.gz VKJDBNXIHZGIEP-SFHVURJKSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1c[nH]c2ccccc12 ZINC001252137198 1061594769 /nfs/dbraw/zinc/59/47/69/1061594769.db2.gz WHKMTBTZQGSMNZ-KRWDZBQOSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cnc2ccccc2c1 ZINC001252135454 1061594969 /nfs/dbraw/zinc/59/49/69/1061594969.db2.gz CULHJOZZTHJERV-IBGZPJMESA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(OC)c(F)c1 ZINC001252134928 1061595256 /nfs/dbraw/zinc/59/52/56/1061595256.db2.gz UKHWSMVKUMDNPO-MRXNPFEDSA-N 1 0 311.441 4.035 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc2ncccc12 ZINC001252137017 1061595985 /nfs/dbraw/zinc/59/59/85/1061595985.db2.gz VKJDBNXIHZGIEP-GOSISDBHSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC1(Cc2cccnc2)CC1 ZINC001252139205 1061596810 /nfs/dbraw/zinc/59/68/10/1061596810.db2.gz KWTNRVOSNJMJAZ-IBGZPJMESA-N 1 0 318.505 4.105 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC001252139320 1061598466 /nfs/dbraw/zinc/59/84/66/1061598466.db2.gz JPOQEPHLFGDEMH-APWZRJJASA-N 1 0 307.478 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C1(CC(C)C)CCOCC1 ZINC001252139736 1061598508 /nfs/dbraw/zinc/59/85/08/1061598508.db2.gz REDARQNJGJNBNJ-GOSISDBHSA-N 1 0 313.526 4.283 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001252140303 1061600690 /nfs/dbraw/zinc/60/06/90/1061600690.db2.gz PEDDSXGIUFAEHC-KRWDZBQOSA-N 1 0 313.526 4.424 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc2ncoc2c1 ZINC001252140929 1061600970 /nfs/dbraw/zinc/60/09/70/1061600970.db2.gz VCVVPMRJPUCRPS-MRXNPFEDSA-N 1 0 304.434 4.029 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)c1 ZINC001474091490 1061636320 /nfs/dbraw/zinc/63/63/20/1061636320.db2.gz JAWGMCIZEOUQQU-GOSISDBHSA-N 1 0 307.437 4.146 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001464846458 1061639945 /nfs/dbraw/zinc/63/99/45/1061639945.db2.gz IEPUXBRUTDCHBD-TZZQJPOUSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CC1(C)CCCCC1)C(C)C ZINC001464871269 1061643232 /nfs/dbraw/zinc/64/32/32/1061643232.db2.gz NOPWGPUCXVJVTC-SFHVURJKSA-N 1 0 320.521 4.162 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)cc(OC)c1O ZINC001474106604 1061656060 /nfs/dbraw/zinc/65/60/60/1061656060.db2.gz LQCFEQCGUNXRIU-JJRVBVJISA-N 1 0 303.446 4.044 20 30 DIEDRO C=C[C@](C)(O)C[NH2+]Cc1ccccc1Oc1ccc(Cl)cc1 ZINC001252580250 1061669301 /nfs/dbraw/zinc/66/93/01/1061669301.db2.gz BLGQRKZBQSZRSR-SFHVURJKSA-N 1 0 317.816 4.159 20 30 DIEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC001252581785 1061669552 /nfs/dbraw/zinc/66/95/52/1061669552.db2.gz JQMAQHSNGPHHKI-VXKWHMMOSA-N 1 0 317.432 4.456 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3C)C2)cc1 ZINC001474131558 1061675723 /nfs/dbraw/zinc/67/57/23/1061675723.db2.gz QZXBEMCAHDVGFX-WGSAOQKQSA-N 1 0 305.421 4.043 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](CCCC)Cc1c[nH]c2ccccc12 ZINC001252620703 1061679223 /nfs/dbraw/zinc/67/92/23/1061679223.db2.gz YOQTVDFLRCETQI-QZTJIDSGSA-N 1 0 314.473 4.186 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC001252615862 1061679702 /nfs/dbraw/zinc/67/97/02/1061679702.db2.gz HMSSPLJBFBPCRJ-FQEVSTJZSA-N 1 0 309.453 4.125 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl ZINC001252620154 1061679896 /nfs/dbraw/zinc/67/98/96/1061679896.db2.gz QMAUPRDZAXQZHZ-LSDHHAIUSA-N 1 0 316.272 4.231 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)Cc1ccc(Cl)cc1Cl ZINC001252620143 1061680141 /nfs/dbraw/zinc/68/01/41/1061680141.db2.gz QMAUPRDZAXQZHZ-CABCVRRESA-N 1 0 316.272 4.231 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C1(CC2CCC2)CCC(F)(F)CC1 ZINC001252622498 1061680319 /nfs/dbraw/zinc/68/03/19/1061680319.db2.gz WKENZSUAJBMLDV-HNNXBMFYSA-N 1 0 301.421 4.041 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C1(CC2CCC2)CCC(F)(F)CC1 ZINC001252622503 1061681652 /nfs/dbraw/zinc/68/16/52/1061681652.db2.gz WKENZSUAJBMLDV-OAHLLOKOSA-N 1 0 301.421 4.041 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC001474135166 1061682494 /nfs/dbraw/zinc/68/24/94/1061682494.db2.gz SQCYZOHHQJGPLQ-GHMZBOCLSA-N 1 0 300.265 4.345 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001252623802 1061682371 /nfs/dbraw/zinc/68/23/71/1061682371.db2.gz QXMZNXVNILPVDW-RTBURBONSA-N 1 0 315.844 4.346 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(SC(F)(F)F)cc1 ZINC001252624564 1061682612 /nfs/dbraw/zinc/68/26/12/1061682612.db2.gz IMYQTWWDIYETHX-YPMHNXCESA-N 1 0 319.392 4.276 20 30 DIEDRO C=CCC1(C[NH2+]Cc2conc2Cc2ccccc2)CCCC1 ZINC001474145257 1061690979 /nfs/dbraw/zinc/69/09/79/1061690979.db2.gz LKFVGHSRBYHOPA-UHFFFAOYSA-N 1 0 310.441 4.492 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1c(Br)c2ccccc2n1C ZINC001474149693 1061693410 /nfs/dbraw/zinc/69/34/10/1061693410.db2.gz RFSMXRCXMGMGKY-UHFFFAOYSA-N 1 0 321.262 4.243 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(Oc3ccccn3)c2)cc1 ZINC001474152239 1061695111 /nfs/dbraw/zinc/69/51/11/1061695111.db2.gz DOJHAAWRIYJTER-UHFFFAOYSA-N 1 0 314.388 4.145 20 30 DIEDRO C=CCCCCCCC[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC001474168498 1061711774 /nfs/dbraw/zinc/71/17/74/1061711774.db2.gz ZKVBBTPULQSZCO-UHFFFAOYSA-N 1 0 303.372 4.055 20 30 DIEDRO CCC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001252790407 1061717921 /nfs/dbraw/zinc/71/79/21/1061717921.db2.gz ZZZZMUGCVIKXRU-LAUBAEHRSA-N 1 0 322.452 4.282 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC001474175844 1061720934 /nfs/dbraw/zinc/72/09/34/1061720934.db2.gz PBOVWKWZNMERSN-UHFFFAOYSA-N 1 0 308.425 4.295 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1F ZINC001474179264 1061724281 /nfs/dbraw/zinc/72/42/81/1061724281.db2.gz MBAYLSAWFHBHEP-HNNXBMFYSA-N 1 0 305.343 4.381 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C/C=C\c1ccc(F)cc1 ZINC001474185684 1061736838 /nfs/dbraw/zinc/73/68/38/1061736838.db2.gz WZYUHKCPKRYKSH-YNZYUUBUSA-N 1 0 306.384 4.378 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC001465358510 1061739696 /nfs/dbraw/zinc/73/96/96/1061739696.db2.gz CLXFYPPXHOQXIC-QGZVFWFLSA-N 1 0 322.880 4.051 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3ccc(C)cc32)cc1OC ZINC001474198259 1061746945 /nfs/dbraw/zinc/74/69/45/1061746945.db2.gz ZUNSAMZFQJGSTO-IBGZPJMESA-N 1 0 323.436 4.346 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1F ZINC001474207764 1061762633 /nfs/dbraw/zinc/76/26/33/1061762633.db2.gz FJHWMPWHCVYGNY-DZGCQCFKSA-N 1 0 307.409 4.067 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC001474208104 1061763368 /nfs/dbraw/zinc/76/33/68/1061763368.db2.gz RVYJKRBKKUIGDZ-PBHICJAKSA-N 1 0 315.486 4.373 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nccc(C)c1Br ZINC001474207950 1061763578 /nfs/dbraw/zinc/76/35/78/1061763578.db2.gz MELCNXNQWAWSNE-KBPBESRZSA-N 1 0 323.278 4.377 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cnc(C)s1 ZINC001252979314 1061770570 /nfs/dbraw/zinc/77/05/70/1061770570.db2.gz KBISYBCLFMGXTJ-INIZCTEOSA-N 1 0 312.523 4.433 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cnc(C)s1 ZINC001252979316 1061770611 /nfs/dbraw/zinc/77/06/11/1061770611.db2.gz KBISYBCLFMGXTJ-MRXNPFEDSA-N 1 0 312.523 4.433 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(C)nc1 ZINC001252982493 1061771777 /nfs/dbraw/zinc/77/17/77/1061771777.db2.gz FVBMXVKEZTYLBI-LJQANCHMSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ncccc1C ZINC001252981034 1061773453 /nfs/dbraw/zinc/77/34/53/1061773453.db2.gz XYIJRPUEQLSIBK-GOSISDBHSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@H+](C)CC1CCOCC1 ZINC001252980689 1061773705 /nfs/dbraw/zinc/77/37/05/1061773705.db2.gz YAEYSZVFQIKYIA-LJQANCHMSA-N 1 0 313.526 4.237 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@H+](C)Cc1cnc(C)nc1 ZINC001252982549 1061773872 /nfs/dbraw/zinc/77/38/72/1061773872.db2.gz HEOYRMHOPOAQJO-LJQANCHMSA-N 1 0 321.509 4.109 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CC12CCOCC2 ZINC001252985015 1061776709 /nfs/dbraw/zinc/77/67/09/1061776709.db2.gz CIHBRIYLZPWEAV-ZWKOTPCHSA-N 1 0 311.510 4.037 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H](C)c1cncnc1 ZINC001252987053 1061777376 /nfs/dbraw/zinc/77/73/76/1061777376.db2.gz QIMVQOGUDSATQM-SJLPKXTDSA-N 1 0 307.482 4.019 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]C1(CC)CCOCC1 ZINC001252988790 1061780255 /nfs/dbraw/zinc/78/02/55/1061780255.db2.gz JRAGIDRRHDELCA-GOSISDBHSA-N 1 0 313.526 4.427 20 30 DIEDRO CCCCCCCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001465582975 1061781629 /nfs/dbraw/zinc/78/16/29/1061781629.db2.gz HDSQDRXNXGILOA-QGZVFWFLSA-N 1 0 324.896 4.419 20 30 DIEDRO CCCCCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001465582974 1061781895 /nfs/dbraw/zinc/78/18/95/1061781895.db2.gz HDSQDRXNXGILOA-KRWDZBQOSA-N 1 0 324.896 4.419 20 30 DIEDRO C=CCOCC[NH2+]Cc1ccc(N(CC)c2ccccc2)cc1 ZINC001474220807 1061781947 /nfs/dbraw/zinc/78/19/47/1061781947.db2.gz QUUDMRHSBQKXDA-UHFFFAOYSA-N 1 0 310.441 4.137 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC001474225602 1061787036 /nfs/dbraw/zinc/78/70/36/1061787036.db2.gz OKDVRLYVRHWKKK-FQEVSTJZSA-N 1 0 307.437 4.180 20 30 DIEDRO C=C[C@@H]([NH2+]C[C@H](O)COC[C@@H](CC)CCCC)c1ccccc1 ZINC001253034044 1061788819 /nfs/dbraw/zinc/78/88/19/1061788819.db2.gz NLUSSWMKXYYQPY-YSIASYRMSA-N 1 0 319.489 4.097 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001474255864 1061824019 /nfs/dbraw/zinc/82/40/19/1061824019.db2.gz ALFPVAOPJDGJKY-HKUYNNGSSA-N 1 0 300.490 4.404 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(OC)ccc1OC(F)F ZINC001474256684 1061826776 /nfs/dbraw/zinc/82/67/76/1061826776.db2.gz UAUZYTRRENBRPT-UHFFFAOYSA-N 1 0 313.388 4.379 20 30 DIEDRO COc1cccc2c1CCC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C2 ZINC001474266439 1061832917 /nfs/dbraw/zinc/83/29/17/1061832917.db2.gz SNKBCTUYQZWFSK-HNAYVOBHSA-N 1 0 320.436 4.165 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc3[nH]ccc3c2)cc1C#N ZINC001474265575 1061833644 /nfs/dbraw/zinc/83/36/44/1061833644.db2.gz BTVWSMXJRAXATN-UHFFFAOYSA-N 1 0 307.422 4.051 20 30 DIEDRO CSc1ccc(C[NH2+]C/C(C)=C/c2ccccc2)cc1C#N ZINC001474267111 1061834137 /nfs/dbraw/zinc/83/41/37/1061834137.db2.gz JXXXELNTYDTPMS-XNTDXEJSSA-N 1 0 308.450 4.473 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CCc1c[nH]c2ccccc12 ZINC001253227967 1061835130 /nfs/dbraw/zinc/83/51/30/1061835130.db2.gz OLAKWVSTNHALOB-SFHVURJKSA-N 1 0 314.473 4.188 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC001253240533 1061836395 /nfs/dbraw/zinc/83/63/95/1061836395.db2.gz NGPQBPBMBIOVHU-HOTGVXAUSA-N 1 0 308.491 4.168 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001253239133 1061838853 /nfs/dbraw/zinc/83/88/53/1061838853.db2.gz KOKSGUCCKKOPCN-MOPGFXCFSA-N 1 0 316.489 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)CNc1ccc2[nH]c(C)[nH+]c2c1 ZINC001253243840 1061841749 /nfs/dbraw/zinc/84/17/49/1061841749.db2.gz AMGUUXFGVDRUOV-MRXNPFEDSA-N 1 0 301.434 4.171 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCC(=O)CC2)CC1 ZINC001253242550 1061842629 /nfs/dbraw/zinc/84/26/29/1061842629.db2.gz NCIVCFWKBYGUGK-IBGZPJMESA-N 1 0 321.505 4.099 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2COC[C@@H]2C)c1 ZINC001474276272 1061843895 /nfs/dbraw/zinc/84/38/95/1061843895.db2.gz PPJLUYFWROZYQP-LPHOPBHVSA-N 1 0 305.462 4.160 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2COC[C@H]2C)c1 ZINC001474276274 1061844260 /nfs/dbraw/zinc/84/42/60/1061844260.db2.gz PPJLUYFWROZYQP-VQIMIIECSA-N 1 0 305.462 4.160 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1nc2ccccc2s1 ZINC001253246763 1061847859 /nfs/dbraw/zinc/84/78/59/1061847859.db2.gz UHFLJROPPMRXED-HNNXBMFYSA-N 1 0 318.486 4.273 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](CC)c1ncccc1C ZINC001253248456 1061849595 /nfs/dbraw/zinc/84/95/95/1061849595.db2.gz VRYSAFPCGDLJMW-ZWKOTPCHSA-N 1 0 304.478 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1OC ZINC001253248217 1061849860 /nfs/dbraw/zinc/84/98/60/1061849860.db2.gz RYHOHHJCXRVFEQ-DLBZAZTESA-N 1 0 305.462 4.233 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2oc(C)nc2c1 ZINC001253249665 1061850446 /nfs/dbraw/zinc/85/04/46/1061850446.db2.gz MCEAHPLGFVZQBG-QGZVFWFLSA-N 1 0 316.445 4.113 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(Cc2ccccc2)CC1 ZINC001253247703 1061850468 /nfs/dbraw/zinc/85/04/68/1061850468.db2.gz KCABQAFDYPDMAP-IBGZPJMESA-N 1 0 301.474 4.239 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCc2c1cccc2OC ZINC001253251526 1061854514 /nfs/dbraw/zinc/85/45/14/1061854514.db2.gz MAFCGGXVYBKQEG-LPHOPBHVSA-N 1 0 317.473 4.160 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC001253251527 1061854722 /nfs/dbraw/zinc/85/47/22/1061854722.db2.gz MAFCGGXVYBKQEG-QFBILLFUSA-N 1 0 317.473 4.160 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(CC(C)C)CCOCC1 ZINC001253253450 1061854967 /nfs/dbraw/zinc/85/49/67/1061854967.db2.gz GQRSBOUMKAPVDQ-GOSISDBHSA-N 1 0 311.510 4.059 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC001253252240 1061855044 /nfs/dbraw/zinc/85/50/44/1061855044.db2.gz SWFWIAJFPDBXKW-JKSUJKDBSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1ccnc(F)c1)C1CC1 ZINC001253252955 1061855287 /nfs/dbraw/zinc/85/52/87/1061855287.db2.gz AFAGOWVXWOQDAT-MJGOQNOKSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC001253254879 1061855981 /nfs/dbraw/zinc/85/59/81/1061855981.db2.gz FQYOOVZLGNCUPV-VQTJNVASSA-N 1 0 314.473 4.486 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001253255696 1061857053 /nfs/dbraw/zinc/85/70/53/1061857053.db2.gz ZWCXSDKZKYXNJU-HOTGVXAUSA-N 1 0 315.448 4.432 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1([C@@H]2CCOC(C)(C)C2)CC1 ZINC001253257626 1061860008 /nfs/dbraw/zinc/86/00/08/1061860008.db2.gz ZTAGWPHGUNTECD-QZTJIDSGSA-N 1 0 323.521 4.201 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCc1cc2ccccc2[nH]1 ZINC001253256257 1061861024 /nfs/dbraw/zinc/86/10/24/1061861024.db2.gz UCABUERMTMPJBQ-LJQANCHMSA-N 1 0 314.473 4.188 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2CC)cc1OC ZINC001474310993 1061881406 /nfs/dbraw/zinc/88/14/06/1061881406.db2.gz BQEFQHAPEGQTDN-AWEZNQCLSA-N 1 0 309.837 4.288 20 30 DIEDRO C=CCC[NH2+]C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253496869 1061905380 /nfs/dbraw/zinc/90/53/80/1061905380.db2.gz KNPVUWKPLOQLTB-GOSISDBHSA-N 1 0 309.881 4.216 20 30 DIEDRO CNc1ccc(C)cc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001474327027 1061915496 /nfs/dbraw/zinc/91/54/96/1061915496.db2.gz OGRVFKLOTSGAII-CTNGQTDRSA-N 1 0 319.452 4.309 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]CCc1ncc[nH]1 ZINC001253565231 1061930775 /nfs/dbraw/zinc/93/07/75/1061930775.db2.gz KPXRWFYAADAOEQ-GOSISDBHSA-N 1 0 323.525 4.214 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H](CO)C1 ZINC001253565254 1061931209 /nfs/dbraw/zinc/93/12/09/1061931209.db2.gz KSLLYJUDJUQDOJ-FHWLQOOXSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001253566321 1061931734 /nfs/dbraw/zinc/93/17/34/1061931734.db2.gz ZVVBYMIVIFGLQY-GBESFXJTSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001253566124 1061932016 /nfs/dbraw/zinc/93/20/16/1061932016.db2.gz XLCMERNNLWGNGA-RBUKOAKNSA-N 1 0 313.526 4.284 20 30 DIEDRO C=C[C@@H](O)C[NH+]1CCC(c2ccc(Oc3ccccc3)cc2)CC1 ZINC001253588241 1061933725 /nfs/dbraw/zinc/93/37/25/1061933725.db2.gz UNHVTDKQTMGSLN-LJQANCHMSA-N 1 0 323.436 4.205 20 30 DIEDRO CCCCCCCC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC001466605524 1061971992 /nfs/dbraw/zinc/97/19/92/1061971992.db2.gz ZVPWQFBQIOEWPH-UHFFFAOYSA-N 1 0 300.446 4.464 20 30 DIEDRO CC[N@H+](Cc1cccn1C(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC001474369017 1062004396 /nfs/dbraw/zinc/00/43/96/1062004396.db2.gz BAEQGMGRFGXXOI-CYBMUJFWSA-N 1 0 303.356 4.338 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001253975753 1062008412 /nfs/dbraw/zinc/00/84/12/1062008412.db2.gz DTDKBCHVARUKCM-OAHLLOKOSA-N 1 0 310.445 4.072 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)cc1OC ZINC001474369760 1062009617 /nfs/dbraw/zinc/00/96/17/1062009617.db2.gz LSMBPNAMWPFREU-KBPBESRZSA-N 1 0 323.864 4.391 20 30 DIEDRO C#CC[N@@H+](Cc1cc2ccccc2n1C)[C@@H]1CCc2ccccc21 ZINC001474386414 1062034779 /nfs/dbraw/zinc/03/47/79/1062034779.db2.gz CSGPWJKFVBSSTO-JOCHJYFZSA-N 1 0 314.432 4.301 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(CC(C)C)nc1)[C@@H]1CCc2ccccc21 ZINC001474387442 1062037244 /nfs/dbraw/zinc/03/72/44/1062037244.db2.gz OMHSPGZCTAYHCZ-JOCHJYFZSA-N 1 0 318.464 4.403 20 30 DIEDRO C=CC[N@@H+](Cc1cccc2[nH]c(=O)oc21)CC1CCCCC1 ZINC001474387338 1062037331 /nfs/dbraw/zinc/03/73/31/1062037331.db2.gz YORSZIUGCDZXHA-UHFFFAOYSA-N 1 0 300.402 4.102 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)c(Cl)c1 ZINC001474388632 1062039552 /nfs/dbraw/zinc/03/95/52/1062039552.db2.gz QDVBRTVMIHXOLA-JTQLQIEISA-N 1 0 306.196 4.111 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC001474393007 1062044675 /nfs/dbraw/zinc/04/46/75/1062044675.db2.gz GICGJULJGQONCE-GFCCVEGCSA-N 1 0 302.245 4.454 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cn(-c2ccccc2Cl)nc1C ZINC001474404939 1062061455 /nfs/dbraw/zinc/06/14/55/1062061455.db2.gz WQYBEBFUFMMFQV-UHFFFAOYSA-N 1 0 303.837 4.232 20 30 DIEDRO C=CCCCCC[NH+]1CCC(Oc2ccc(OC)cc2)CC1 ZINC001459311341 1062079526 /nfs/dbraw/zinc/07/95/26/1062079526.db2.gz SYIMGQZUFIZZMU-UHFFFAOYSA-N 1 0 303.446 4.285 20 30 DIEDRO Cc1ncccc1C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345647 1062080699 /nfs/dbraw/zinc/08/06/99/1062080699.db2.gz DKJWCTMCXQJNEC-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC001254347940 1062081902 /nfs/dbraw/zinc/08/19/02/1062081902.db2.gz VSTPDLFIWRHYSN-DQUYIOFASA-N 1 0 312.432 4.308 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC(Nc2cccc(C[NH3+])c2)CC1 ZINC001254345001 1062082403 /nfs/dbraw/zinc/08/24/03/1062082403.db2.gz MCTLXRLCHFVPOK-UHFFFAOYSA-N 1 0 323.415 4.100 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1cccnc1 ZINC001254341058 1062082528 /nfs/dbraw/zinc/08/25/28/1062082528.db2.gz CVVOVWRIYOGANG-APMMTJHUSA-N 1 0 323.415 4.275 20 30 DIEDRO C[N@H+](C1CC(F)(F)C1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254352539 1062085096 /nfs/dbraw/zinc/08/50/96/1062085096.db2.gz AXMFGCLYNXQADX-UHFFFAOYSA-N 1 0 322.374 4.259 20 30 DIEDRO CC1(F)CC[NH+](C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254352852 1062085240 /nfs/dbraw/zinc/08/52/40/1062085240.db2.gz GRMXLGBTVCPGRF-UHFFFAOYSA-N 1 0 318.411 4.354 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CC3(C2)CCCC3)CC1 ZINC001254353601 1062085487 /nfs/dbraw/zinc/08/54/87/1062085487.db2.gz FVVRGYSFFPCKCS-UHFFFAOYSA-N 1 0 312.432 4.406 20 30 DIEDRO CC[C@@H]1CC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254359697 1062087486 /nfs/dbraw/zinc/08/74/86/1062087486.db2.gz NXEJSLZEERCLCF-VNCLNFNDSA-N 1 0 300.421 4.262 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC001254385303 1062091254 /nfs/dbraw/zinc/09/12/54/1062091254.db2.gz COJWVXDWFWKUEW-LAUBAEHRSA-N 1 0 320.436 4.300 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC001254388798 1062091428 /nfs/dbraw/zinc/09/14/28/1062091428.db2.gz IKMVAHHVHOYDLN-UTKZUKDTSA-N 1 0 320.436 4.300 20 30 DIEDRO C#Cc1cccc(N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC001474423638 1062098672 /nfs/dbraw/zinc/09/86/72/1062098672.db2.gz KVNZBANKJSBYGA-UNMCSNQZSA-N 1 0 316.448 4.448 20 30 DIEDRO CC[N@H+](C[C@H]1CCCC(C)(C)O1)[C@H](C)c1ccc(C#N)cc1 ZINC001459345188 1062100571 /nfs/dbraw/zinc/10/05/71/1062100571.db2.gz DPNDTTOYJBWTBV-CRAIPNDOSA-N 1 0 300.446 4.289 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1CCc2ccccc21 ZINC001459344271 1062100616 /nfs/dbraw/zinc/10/06/16/1062100616.db2.gz LVYXQPBJMYKINH-JOCHJYFZSA-N 1 0 318.464 4.265 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001459353850 1062106802 /nfs/dbraw/zinc/10/68/02/1062106802.db2.gz WGPUYVRUZGRUKW-DYESRHJHSA-N 1 0 320.436 4.137 20 30 DIEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](C2CCC3(CC3)CC2)C1 ZINC001254446386 1062107685 /nfs/dbraw/zinc/10/76/85/1062107685.db2.gz WFHDXVIEVFETKO-SFHVURJKSA-N 1 0 310.441 4.124 20 30 DIEDRO CC[N@H+](C[C@H]1CCCC2(CCC2)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC001459355283 1062108254 /nfs/dbraw/zinc/10/82/54/1062108254.db2.gz WOIFSRBVPOOJEJ-QFBILLFUSA-N 1 0 312.457 4.433 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001459353860 1062108263 /nfs/dbraw/zinc/10/82/63/1062108263.db2.gz WGPUYVRUZGRUKW-UTKZUKDTSA-N 1 0 320.436 4.137 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1C#N ZINC001459355272 1062108364 /nfs/dbraw/zinc/10/83/64/1062108364.db2.gz PZBNZHHFGXHYOB-NRFANRHFSA-N 1 0 320.436 4.048 20 30 DIEDRO CCCCCC[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001474436820 1062114403 /nfs/dbraw/zinc/11/44/03/1062114403.db2.gz PEIVAETXUDYLFG-INIZCTEOSA-N 1 0 324.472 4.407 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)C1CCc2ccccc2CC1 ZINC001254456977 1062116471 /nfs/dbraw/zinc/11/64/71/1062116471.db2.gz YHCXZRHESKIAAF-UHFFFAOYSA-N 1 0 304.437 4.350 20 30 DIEDRO CC(C)C[N@H+](CCc1ccccc1)Cc1cccc(C#N)c1F ZINC001459366490 1062116619 /nfs/dbraw/zinc/11/66/19/1062116619.db2.gz RHMKXVOUPNLGGU-UHFFFAOYSA-N 1 0 310.416 4.398 20 30 DIEDRO N#CCC1(C[N@@H+](CCc2ccccc2F)C2CCCC2)CC1 ZINC001459387319 1062125186 /nfs/dbraw/zinc/12/51/86/1062125186.db2.gz FICOPWPLOKOZBJ-UHFFFAOYSA-N 1 0 300.421 4.307 20 30 DIEDRO CCC[C@H](CCc1ccccc1)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001254486309 1062128980 /nfs/dbraw/zinc/12/89/80/1062128980.db2.gz YJGCFOHQXVHKAN-MRXNPFEDSA-N 1 0 315.848 4.242 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC001474456726 1062133662 /nfs/dbraw/zinc/13/36/62/1062133662.db2.gz JAAGTJBZRNAHEZ-CYBMUJFWSA-N 1 0 305.853 4.451 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 ZINC001474459846 1062136940 /nfs/dbraw/zinc/13/69/40/1062136940.db2.gz MHPVEORGOUGSLG-WTNAPCKOSA-N 1 0 319.448 4.055 20 30 DIEDRO C#C[C@H]([NH2+][C@H](Cc1cccc(Cl)c1)CC(C)C)[C@H]1CCCO1 ZINC001474459915 1062137080 /nfs/dbraw/zinc/13/70/80/1062137080.db2.gz OHPIXHYFXQGERA-GBESFXJTSA-N 1 0 319.876 4.068 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001474459051 1062137795 /nfs/dbraw/zinc/13/77/95/1062137795.db2.gz RZAXZROWNPUXTE-FUHWJXTLSA-N 1 0 308.400 4.198 20 30 DIEDRO CC[N@@H+]1CCC[C@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC001474463894 1062142578 /nfs/dbraw/zinc/14/25/78/1062142578.db2.gz BSOVZPZOYSWNKY-SFHVURJKSA-N 1 0 321.424 4.247 20 30 DIEDRO C=C1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC001459453620 1062150158 /nfs/dbraw/zinc/15/01/58/1062150158.db2.gz JAHGZMZGCFRQNM-UHFFFAOYSA-N 1 0 322.408 4.069 20 30 DIEDRO C=CCC[N@@H+](Cc1cc(Br)ccc1OCC)C1CC1 ZINC001459461357 1062152261 /nfs/dbraw/zinc/15/22/61/1062152261.db2.gz DNIQCTXLVZOENV-UHFFFAOYSA-N 1 0 324.262 4.388 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2cn(-c3ccccc3C)nn2)CCCC1(C)C ZINC001474481946 1062160073 /nfs/dbraw/zinc/16/00/73/1062160073.db2.gz LPHNHPVBRTYBRU-IBGZPJMESA-N 1 0 324.472 4.142 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001474484114 1062164774 /nfs/dbraw/zinc/16/47/74/1062164774.db2.gz SBNSTNJXMBALHQ-ULQDDVLXSA-N 1 0 324.509 4.499 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCc2cccc(Cl)c2)cc1F ZINC001474487359 1062168255 /nfs/dbraw/zinc/16/82/55/1062168255.db2.gz MLDYUEAHOMZCIB-UHFFFAOYSA-N 1 0 302.780 4.073 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001459505141 1062173882 /nfs/dbraw/zinc/17/38/82/1062173882.db2.gz FNSYNQYBOQMDAI-GOSISDBHSA-N 1 0 322.427 4.379 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C12CCCCC2 ZINC001474497453 1062176403 /nfs/dbraw/zinc/17/64/03/1062176403.db2.gz KSLNEBXFBXFGHM-HSALFYBXSA-N 1 0 324.468 4.263 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560786 1062180668 /nfs/dbraw/zinc/18/06/68/1062180668.db2.gz YITXCPFNPIDOFH-MRXNPFEDSA-N 1 0 310.397 4.214 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC001459520304 1062180752 /nfs/dbraw/zinc/18/07/52/1062180752.db2.gz JCIYLBLRIJPNEU-DOTOQJQBSA-N 1 0 323.358 4.201 20 30 DIEDRO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC001459523813 1062184035 /nfs/dbraw/zinc/18/40/35/1062184035.db2.gz FDXMTQBUBQMMAH-LSDHHAIUSA-N 1 0 320.864 4.295 20 30 DIEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001459532108 1062189737 /nfs/dbraw/zinc/18/97/37/1062189737.db2.gz MFOKQZVGQSWLET-MOPGFXCFSA-N 1 0 317.448 4.093 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1)C(C)C ZINC001474509581 1062191355 /nfs/dbraw/zinc/19/13/55/1062191355.db2.gz VOJOOUPNFQFPNJ-NYLDSWQDSA-N 1 0 313.485 4.188 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC001459538004 1062191507 /nfs/dbraw/zinc/19/15/07/1062191507.db2.gz HIZFVYAMRYZHOV-UHFFFAOYSA-N 1 0 321.262 4.499 20 30 DIEDRO Cc1ccc([C@H]2CCCC[N@@H+]2CCOc2ccccc2C#N)cc1 ZINC001459539038 1062192793 /nfs/dbraw/zinc/19/27/93/1062192793.db2.gz GLILNRSOXURFHV-HXUWFJFHSA-N 1 0 320.436 4.473 20 30 DIEDRO CCC[N@H+](CCC(C)(C)C#N)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001459538834 1062192931 /nfs/dbraw/zinc/19/29/31/1062192931.db2.gz SRNZSDUBKJIXGV-DLBZAZTESA-N 1 0 306.494 4.376 20 30 DIEDRO C#C[C@@H](C)[NH2+]Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC001474513875 1062193218 /nfs/dbraw/zinc/19/32/18/1062193218.db2.gz WYKLBXINUKFMRJ-GFCCVEGCSA-N 1 0 303.764 4.383 20 30 DIEDRO C#C[C@H](C)[NH2+]Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC001474513876 1062195453 /nfs/dbraw/zinc/19/54/53/1062195453.db2.gz WYKLBXINUKFMRJ-LBPRGKRZSA-N 1 0 303.764 4.383 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1ccncc1C#N ZINC001459550297 1062199848 /nfs/dbraw/zinc/19/98/48/1062199848.db2.gz MVSNIXWDBZKGRD-FQEVSTJZSA-N 1 0 307.441 4.105 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1Cl ZINC001474520225 1062203432 /nfs/dbraw/zinc/20/34/32/1062203432.db2.gz AVBQHWCVNGJVAX-KYJSFNMBSA-N 1 0 307.865 4.283 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC001254637034 1062207060 /nfs/dbraw/zinc/20/70/60/1062207060.db2.gz NJZGXUUDMCOBFM-NEPJUHHUSA-N 1 0 300.349 4.080 20 30 DIEDRO Cc1cc2c(s1)N([C@H]1CC[C@@H](C#N)C1)c1ccccc1NC2=N ZINC001254636701 1062207911 /nfs/dbraw/zinc/20/79/11/1062207911.db2.gz LIEXPDJQMFTXEI-OLZOCXBDSA-N 1 0 322.437 4.237 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C1 ZINC001254635898 1062208248 /nfs/dbraw/zinc/20/82/48/1062208248.db2.gz GHMMZWPQDOXPNX-MSOLQXFVSA-N 1 0 306.409 4.303 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C1 ZINC001254635900 1062208961 /nfs/dbraw/zinc/20/89/61/1062208961.db2.gz GHMMZWPQDOXPNX-QZTJIDSGSA-N 1 0 306.409 4.303 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001254635762 1062209489 /nfs/dbraw/zinc/20/94/89/1062209489.db2.gz SHVOYKQOSUNZFK-DJSGYFEHSA-N 1 0 319.246 4.108 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C1 ZINC001254650294 1062213607 /nfs/dbraw/zinc/21/36/07/1062213607.db2.gz ZDBYCYSVQKCTHH-ZBFHGGJFSA-N 1 0 304.384 4.373 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001254647196 1062214875 /nfs/dbraw/zinc/21/48/75/1062214875.db2.gz RQBXLPPCWVOOEV-MJGOQNOKSA-N 1 0 312.457 4.428 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccc(CCc3ccccc3)cc2)C1 ZINC001254652917 1062216037 /nfs/dbraw/zinc/21/60/37/1062216037.db2.gz IHTGGJDCHWDLBJ-FCHUYYIVSA-N 1 0 318.464 4.296 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(CCc3ccccc3)cc2)C1 ZINC001254652924 1062216172 /nfs/dbraw/zinc/21/61/72/1062216172.db2.gz IHTGGJDCHWDLBJ-FGZHOGPDSA-N 1 0 318.464 4.296 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc(Cl)c3)n2)C1 ZINC001254658473 1062219960 /nfs/dbraw/zinc/21/99/60/1062219960.db2.gz WKNUVBDSBNTDSB-SMDDNHRTSA-N 1 0 317.845 4.245 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc(Cl)c3)n2)C1 ZINC001254658471 1062220562 /nfs/dbraw/zinc/22/05/62/1062220562.db2.gz WKNUVBDSBNTDSB-FZMZJTMJSA-N 1 0 317.845 4.245 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC001254659710 1062222498 /nfs/dbraw/zinc/22/24/98/1062222498.db2.gz BMJBBCPWWSYMSN-WQVCFCJDSA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@H]1CC[C@H]([N@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC001254659709 1062222785 /nfs/dbraw/zinc/22/27/85/1062222785.db2.gz BMJBBCPWWSYMSN-RCBQFDQVSA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)C1 ZINC001254667939 1062223046 /nfs/dbraw/zinc/22/30/46/1062223046.db2.gz FUYHFZPESZUYAP-BSIFCXSSSA-N 1 0 302.421 4.326 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001254667431 1062223488 /nfs/dbraw/zinc/22/34/88/1062223488.db2.gz BZRQTZVLGVGQKM-NXHRZFHOSA-N 1 0 318.848 4.013 20 30 DIEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)C1 ZINC001254667963 1062224192 /nfs/dbraw/zinc/22/41/92/1062224192.db2.gz FUYHFZPESZUYAP-LRQRDZAKSA-N 1 0 302.421 4.326 20 30 DIEDRO C=CCCCCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC001459581217 1062224555 /nfs/dbraw/zinc/22/45/55/1062224555.db2.gz OUBACOSVMQZNEG-FQEVSTJZSA-N 1 0 301.474 4.495 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3c(F)cccc3Cl)CC2)C1 ZINC001254670823 1062225769 /nfs/dbraw/zinc/22/57/69/1062225769.db2.gz MPYJPAXUBLRDOZ-HUUCEWRRSA-N 1 0 320.839 4.426 20 30 DIEDRO N#C[C@H]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cc(F)ccc32)C1 ZINC001254673524 1062225812 /nfs/dbraw/zinc/22/58/12/1062225812.db2.gz MEAFDEBPBLFEIX-XJKSGUPXSA-N 1 0 311.404 4.112 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(Cc3c(F)cccc3Cl)CC2)C1 ZINC001254670821 1062225903 /nfs/dbraw/zinc/22/59/03/1062225903.db2.gz MPYJPAXUBLRDOZ-GJZGRUSLSA-N 1 0 320.839 4.426 20 30 DIEDRO N#C[C@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC001254680559 1062229246 /nfs/dbraw/zinc/22/92/46/1062229246.db2.gz XEBVJPVRIVGSRO-APHBMKBZSA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC001254680560 1062229647 /nfs/dbraw/zinc/22/96/47/1062229647.db2.gz XEBVJPVRIVGSRO-VBNZEHGJSA-N 1 0 319.246 4.278 20 30 DIEDRO CC(C)CC[N@@H+](CCC#N)CCCOc1cccc(Cl)c1 ZINC001459601100 1062233304 /nfs/dbraw/zinc/23/33/04/1062233304.db2.gz BTJDJOOEXAYLTP-UHFFFAOYSA-N 1 0 308.853 4.371 20 30 DIEDRO C[C@H](Cc1ccsc1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001459623400 1062256319 /nfs/dbraw/zinc/25/63/19/1062256319.db2.gz PGDMTTHRBWYUDK-CQSZACIVSA-N 1 0 303.858 4.316 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001474558217 1062260140 /nfs/dbraw/zinc/26/01/40/1062260140.db2.gz XYEJNFJPUBTMOT-SCLBCKFNSA-N 1 0 301.792 4.374 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001254897568 1062274461 /nfs/dbraw/zinc/27/44/61/1062274461.db2.gz XHYOJDNWRNKRCU-OALUTQOASA-N 1 0 314.473 4.016 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254888119 1062275911 /nfs/dbraw/zinc/27/59/11/1062275911.db2.gz AHKZWZXHQGHCGJ-FVQHAEBGSA-N 1 0 324.509 4.192 20 30 DIEDRO CC(C)(CC#N)C[NH2+]C1CC(c2ccccc2Br)C1 ZINC001474570981 1062280533 /nfs/dbraw/zinc/28/05/33/1062280533.db2.gz MIUYIACQHKONAL-UHFFFAOYSA-N 1 0 321.262 4.225 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254988232 1062293082 /nfs/dbraw/zinc/29/30/82/1062293082.db2.gz NCYTXIXWZZASIX-BBWFWOEESA-N 1 0 322.493 4.063 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254988233 1062294005 /nfs/dbraw/zinc/29/40/05/1062294005.db2.gz NCYTXIXWZZASIX-ULQDDVLXSA-N 1 0 322.493 4.063 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](c1ccc(CC(C)C)cc1)C(C)C ZINC001459680812 1062302599 /nfs/dbraw/zinc/30/25/99/1062302599.db2.gz BOUZBYNSOKHXEZ-PMACEKPBSA-N 1 0 303.490 4.499 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C1CCOCC1 ZINC001255044077 1062304082 /nfs/dbraw/zinc/30/40/82/1062304082.db2.gz JLRDEKXYGTVJJX-QGZVFWFLSA-N 1 0 320.436 4.300 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001459696668 1062313540 /nfs/dbraw/zinc/31/35/40/1062313540.db2.gz UYMGFBLZVWYCKY-RBUKOAKNSA-N 1 0 314.473 4.201 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](CC(C)(C)c2ccc(Br)cc2)C1 ZINC001474602310 1062316194 /nfs/dbraw/zinc/31/61/94/1062316194.db2.gz OSDHMWDGTCNAOV-AWEZNQCLSA-N 1 0 320.274 4.072 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001255109548 1062318634 /nfs/dbraw/zinc/31/86/34/1062318634.db2.gz UATGGVIPKHJVLI-LEWJYISDSA-N 1 0 306.453 4.168 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001474610701 1062325501 /nfs/dbraw/zinc/32/55/01/1062325501.db2.gz BKBXWXZSPRQCNT-OXJNMPFZSA-N 1 0 317.473 4.230 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001474610703 1062326514 /nfs/dbraw/zinc/32/65/14/1062326514.db2.gz BKBXWXZSPRQCNT-UZLBHIALSA-N 1 0 317.473 4.230 20 30 DIEDRO COc1ccc(C2CCC([NH2+]CC3(C#N)CCCC3)CC2)cc1 ZINC001474609878 1062327699 /nfs/dbraw/zinc/32/76/99/1062327699.db2.gz NEMJVHZFOJHLOE-UHFFFAOYSA-N 1 0 312.457 4.395 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC001474619127 1062337203 /nfs/dbraw/zinc/33/72/03/1062337203.db2.gz NVRQMSCTETYHMS-QGZVFWFLSA-N 1 0 309.457 4.184 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CCc1ccc(CCc2ccccc2)cc1 ZINC001255165566 1062349646 /nfs/dbraw/zinc/34/96/46/1062349646.db2.gz YWJZGFVEZMARKO-OAQYLSRUSA-N 1 0 306.453 4.296 20 30 DIEDRO CC[C@H](CC#N)[NH2+]C1(c2ccc(OC)cc2)CCC(F)(F)CC1 ZINC001255162578 1062350775 /nfs/dbraw/zinc/35/07/75/1062350775.db2.gz SZUIHQANLOLWNJ-OAHLLOKOSA-N 1 0 322.399 4.382 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C1(CC)CC ZINC001459748158 1062356692 /nfs/dbraw/zinc/35/66/92/1062356692.db2.gz KPTGOKGBLACYOJ-OALUTQOASA-N 1 0 314.473 4.282 20 30 DIEDRO CCCCCCCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001459747600 1062358934 /nfs/dbraw/zinc/35/89/34/1062358934.db2.gz HENLTUGUSBBRRT-UHFFFAOYSA-N 1 0 322.468 4.317 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](Cc1ccc(OCC=C)cc1)C(C)(C)C ZINC001459750146 1062363120 /nfs/dbraw/zinc/36/31/20/1062363120.db2.gz XVDAHRIBIXRLRS-SFHVURJKSA-N 1 0 317.473 4.179 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC001474646847 1062375057 /nfs/dbraw/zinc/37/50/57/1062375057.db2.gz JEAZKVLUVOBDKA-HNNXBMFYSA-N 1 0 312.388 4.411 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC001474647618 1062377602 /nfs/dbraw/zinc/37/76/02/1062377602.db2.gz RHGYJXWWBKJACB-QGZVFWFLSA-N 1 0 305.421 4.207 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC001474660706 1062392664 /nfs/dbraw/zinc/39/26/64/1062392664.db2.gz SPDDWGBPBPHDAD-UHFFFAOYSA-N 1 0 306.450 4.007 20 30 DIEDRO C=CCCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459796908 1062408466 /nfs/dbraw/zinc/40/84/66/1062408466.db2.gz MOWBTNLWWREYQS-UHFFFAOYSA-N 1 0 312.379 4.184 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCC[C@@H](C(=O)OCC)C1)c1ccccc1 ZINC001255358399 1062415964 /nfs/dbraw/zinc/41/59/64/1062415964.db2.gz WBASFOBXCAECPN-FGTMMUONSA-N 1 0 301.430 4.015 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001474697029 1062424426 /nfs/dbraw/zinc/42/44/26/1062424426.db2.gz QMXSHGFNZLHSQK-LSDHHAIUSA-N 1 0 324.509 4.260 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc(C)c(F)c1 ZINC001459818718 1062424734 /nfs/dbraw/zinc/42/47/34/1062424734.db2.gz VAPZIMGHXOGMLI-GOSISDBHSA-N 1 0 312.388 4.126 20 30 DIEDRO CC(C)CC[C@@H]([NH2+]CCOc1cccc(C#N)c1)C(C)(C)C ZINC001459838939 1062437761 /nfs/dbraw/zinc/43/77/61/1062437761.db2.gz UZHZYYSBCVKGHB-GOSISDBHSA-N 1 0 302.462 4.378 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]CCO[C@H](C)C#N)[C@@H]1CCC[C@@H](C)C1 ZINC001459851799 1062450534 /nfs/dbraw/zinc/45/05/34/1062450534.db2.gz SPCHUCKGLBCOEW-DLVXIWMQSA-N 1 0 314.473 4.381 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]CC[C@H]2CCC(F)(F)C2)C1 ZINC001474743383 1062459760 /nfs/dbraw/zinc/45/97/60/1062459760.db2.gz KINPGPCJJHOLII-ODIFPOPNSA-N 1 0 304.384 4.025 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC001474745371 1062461047 /nfs/dbraw/zinc/46/10/47/1062461047.db2.gz USMWAWCTMRQHKK-LBPRGKRZSA-N 1 0 303.372 4.054 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC001255510526 1062467144 /nfs/dbraw/zinc/46/71/44/1062467144.db2.gz YBCNAYBRVVTTTH-UHFFFAOYSA-N 1 0 308.347 4.258 20 30 DIEDRO C[C@H](C#N)C[N@H+](CCCSc1ccccc1Cl)C1CC1 ZINC001459875631 1062467378 /nfs/dbraw/zinc/46/73/78/1062467378.db2.gz FUZGZDVCOSMRJC-CYBMUJFWSA-N 1 0 308.878 4.446 20 30 DIEDRO CC(C)(C)C[NH+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)(C)C ZINC001459889816 1062475257 /nfs/dbraw/zinc/47/52/57/1062475257.db2.gz IQJYYSVUCKLCLA-UHFFFAOYSA-N 1 0 317.433 4.361 20 30 DIEDRO COC[C@@H](C)[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001255581741 1062485007 /nfs/dbraw/zinc/48/50/07/1062485007.db2.gz NJQBRZDKFFPMGE-SJORKVTESA-N 1 0 308.425 4.156 20 30 DIEDRO COC[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001255581738 1062486158 /nfs/dbraw/zinc/48/61/58/1062486158.db2.gz NJQBRZDKFFPMGE-IRXDYDNUSA-N 1 0 308.425 4.156 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]CCC(C(F)(F)F)C(F)(F)F ZINC001255645549 1062494226 /nfs/dbraw/zinc/49/42/26/1062494226.db2.gz FSCRLGZNCFTALU-RXMQYKEDSA-N 1 0 305.184 4.048 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001459942311 1062513240 /nfs/dbraw/zinc/51/32/40/1062513240.db2.gz JBSBBEDQJCNZGJ-LJQANCHMSA-N 1 0 324.509 4.432 20 30 DIEDRO CCCCCCCCCCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC001469289681 1062521284 /nfs/dbraw/zinc/52/12/84/1062521284.db2.gz JDTFDKLYCIQSKE-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO C#CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459958938 1062526244 /nfs/dbraw/zinc/52/62/44/1062526244.db2.gz NHRAMGBVTQWYIL-LBPRGKRZSA-N 1 0 309.253 4.312 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@H]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC001255706944 1062533330 /nfs/dbraw/zinc/53/33/30/1062533330.db2.gz YMJQHHIHYJGVBP-HOTGVXAUSA-N 1 0 308.347 4.037 20 30 DIEDRO CCCCCCC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC001459992993 1062553216 /nfs/dbraw/zinc/55/32/16/1062553216.db2.gz PPPGKRLNYROVBY-UHFFFAOYSA-N 1 0 311.416 4.219 20 30 DIEDRO Cc1ccccc1[C@]1(F)CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC001460013119 1062567230 /nfs/dbraw/zinc/56/72/30/1062567230.db2.gz HFTMTCASFROTEP-UZLBHIALSA-N 1 0 308.400 4.498 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001255745836 1062568845 /nfs/dbraw/zinc/56/88/45/1062568845.db2.gz BJYXOOHNLDEBIV-DARAHFNDSA-N 1 0 304.434 4.073 20 30 DIEDRO C#CCCC1(CC[NH2+][C@H](C)CSc2ccc(C)cc2)N=N1 ZINC001255759794 1062581202 /nfs/dbraw/zinc/58/12/02/1062581202.db2.gz CZNIIFKNVZNITE-OAHLLOKOSA-N 1 0 301.459 4.031 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@H](O)c2cccc(Cl)c2)CCCC1(C)C ZINC001460031267 1062586091 /nfs/dbraw/zinc/58/60/91/1062586091.db2.gz RTDUXZMPUWOQAR-IRXDYDNUSA-N 1 0 307.865 4.440 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001255786213 1062609540 /nfs/dbraw/zinc/60/95/40/1062609540.db2.gz VMRJNDRWFYSNCH-IBGZPJMESA-N 1 0 318.464 4.483 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001460067466 1062612144 /nfs/dbraw/zinc/61/21/44/1062612144.db2.gz CMZWLNINLWEJMH-NHCUHLMSSA-N 1 0 305.421 4.042 20 30 DIEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001460081057 1062621625 /nfs/dbraw/zinc/62/16/25/1062621625.db2.gz PDNSCNMVVDNKGA-RYUDHWBXSA-N 1 0 310.363 4.491 20 30 DIEDRO C=C(Br)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC001460091978 1062632015 /nfs/dbraw/zinc/63/20/15/1062632015.db2.gz DPDJXAZCSYCFBW-UHFFFAOYSA-N 1 0 300.627 4.217 20 30 DIEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC001460111499 1062643218 /nfs/dbraw/zinc/64/32/18/1062643218.db2.gz NLJGRJUFCNIFSR-IAGOWNOFSA-N 1 0 320.864 4.072 20 30 DIEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC001460111503 1062643521 /nfs/dbraw/zinc/64/35/21/1062643521.db2.gz NLJGRJUFCNIFSR-IRXDYDNUSA-N 1 0 320.864 4.072 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC[C@H](c3ccccc3F)C2)CCC1 ZINC001460141970 1062660666 /nfs/dbraw/zinc/66/06/66/1062660666.db2.gz KHTOQGQMKRRWTK-INIZCTEOSA-N 1 0 300.421 4.479 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001460143610 1062661012 /nfs/dbraw/zinc/66/10/12/1062661012.db2.gz WAYRIMQBXXLDHI-ZFWWWQNUSA-N 1 0 308.263 4.278 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC001460161412 1062673899 /nfs/dbraw/zinc/67/38/99/1062673899.db2.gz LJKQAEIZFZEXHX-QINHECLXSA-N 1 0 320.436 4.333 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC001460181854 1062685008 /nfs/dbraw/zinc/68/50/08/1062685008.db2.gz ZJQINHLVTRRTCE-SFHVURJKSA-N 1 0 308.400 4.249 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001460236798 1062719146 /nfs/dbraw/zinc/71/91/46/1062719146.db2.gz XROBHJYVUJKHKJ-DLBZAZTESA-N 1 0 324.509 4.288 20 30 DIEDRO C#CCCCCCC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC001460241729 1062720817 /nfs/dbraw/zinc/72/08/17/1062720817.db2.gz STGAATOKGISBKR-HXUWFJFHSA-N 1 0 311.469 4.424 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1cccc(OC)c1)c1cccc(C#N)c1 ZINC001256151332 1062730084 /nfs/dbraw/zinc/73/00/84/1062730084.db2.gz NYATUQUZSRKLRO-MGPUTAFESA-N 1 0 308.425 4.239 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CC1(C)C ZINC001460262108 1062740027 /nfs/dbraw/zinc/74/00/27/1062740027.db2.gz GRHPXJWXCXHEBD-CABCVRRESA-N 1 0 310.363 4.491 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001256213933 1062748739 /nfs/dbraw/zinc/74/87/39/1062748739.db2.gz DVJJZHSPFGHYIV-IUODEOHRSA-N 1 0 309.251 4.052 20 30 DIEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1(C#N)CCC1 ZINC001256213954 1062750430 /nfs/dbraw/zinc/75/04/30/1062750430.db2.gz CYAIQPRAFQZRBQ-ZDUSSCGKSA-N 1 0 321.262 4.054 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001256214385 1062750633 /nfs/dbraw/zinc/75/06/33/1062750633.db2.gz KJNNWOOQMFYWCU-AWEZNQCLSA-N 1 0 308.263 4.163 20 30 DIEDRO C[C@@H](CCc1ccc(Br)cc1)[NH+]1CCC(C#N)CC1 ZINC001256222547 1062752730 /nfs/dbraw/zinc/75/27/30/1062752730.db2.gz MZKXUXWWGAMEBA-ZDUSSCGKSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]CC(C)(C)S ZINC001256219920 1062753620 /nfs/dbraw/zinc/75/36/20/1062753620.db2.gz FKPBGXBUWXHNKE-LLVKDONJSA-N 1 0 316.308 4.068 20 30 DIEDRO C#CC(CC)(CC)[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256299114 1062768160 /nfs/dbraw/zinc/76/81/60/1062768160.db2.gz RJZFPRGOCAIZSQ-UHFFFAOYSA-N 1 0 304.865 4.090 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2CC2CCCC2)cc1 ZINC001460316633 1062776917 /nfs/dbraw/zinc/77/69/17/1062776917.db2.gz PTEXKYSUKAZHRJ-FQEVSTJZSA-N 1 0 324.468 4.041 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001460347305 1062796245 /nfs/dbraw/zinc/79/62/45/1062796245.db2.gz WQSVROHURKQTCU-CVEARBPZSA-N 1 0 312.498 4.334 20 30 DIEDRO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC001460366035 1062814236 /nfs/dbraw/zinc/81/42/36/1062814236.db2.gz XJXNLYDBIFIUDM-INIZCTEOSA-N 1 0 308.425 4.066 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(F)c1Cl)c1cccc(C#N)c1 ZINC001460411195 1062840081 /nfs/dbraw/zinc/84/00/81/1062840081.db2.gz ZBHJHJLPMXJNGE-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(OC)c2ccccc12 ZINC001460408192 1062840135 /nfs/dbraw/zinc/84/01/35/1062840135.db2.gz HUCTXXSENJIGFV-KXBFYZLASA-N 1 0 310.441 4.468 20 30 DIEDRO C=CC[N@@H+](CCc1cc(Cl)cc(Cl)c1)[C@H](C)COC ZINC001460411198 1062842639 /nfs/dbraw/zinc/84/26/39/1062842639.db2.gz ZDNADCVCPUFTBP-GFCCVEGCSA-N 1 0 302.245 4.059 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)CCCC1 ZINC001460438921 1062856967 /nfs/dbraw/zinc/85/69/67/1062856967.db2.gz BRHVHRRRZUCSAE-UHFFFAOYSA-N 1 0 312.413 4.329 20 30 DIEDRO C=CC[N@@H+](Cc1cc(-c2ccc(OC)cc2)no1)C(C)(C)C ZINC001460451950 1062862045 /nfs/dbraw/zinc/86/20/45/1062862045.db2.gz RCSRMSBUQXZIHU-UHFFFAOYSA-N 1 0 300.402 4.137 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256560699 1062881406 /nfs/dbraw/zinc/88/14/06/1062881406.db2.gz SODYIGXSDYNBGN-MJGOQNOKSA-N 1 0 300.490 4.326 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001460507000 1062888478 /nfs/dbraw/zinc/88/84/78/1062888478.db2.gz AYWRAOVKKXLNQO-SFHVURJKSA-N 1 0 312.457 4.359 20 30 DIEDRO C=CCCC[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001460506716 1062889679 /nfs/dbraw/zinc/88/96/79/1062889679.db2.gz DOXGVBDLABZFRJ-UHFFFAOYSA-N 1 0 317.477 4.338 20 30 DIEDRO CCCCCCCCC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256579709 1062897804 /nfs/dbraw/zinc/89/78/04/1062897804.db2.gz COVQWXABYCOJFH-UHFFFAOYSA-N 1 0 317.521 4.386 20 30 DIEDRO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001460597002 1062925279 /nfs/dbraw/zinc/92/52/79/1062925279.db2.gz GQCCUAOVCHYTNH-LJQANCHMSA-N 1 0 308.400 4.465 20 30 DIEDRO C=C(Br)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC001460599408 1062927389 /nfs/dbraw/zinc/92/73/89/1062927389.db2.gz PKRWIOWEPCCUBS-CQSZACIVSA-N 1 0 312.226 4.302 20 30 DIEDRO C=C(Cl)C[N@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC001460602066 1062930523 /nfs/dbraw/zinc/93/05/23/1062930523.db2.gz CSZAWYOICNBRJE-DGCLKSJQSA-N 1 0 314.654 4.379 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC001460623747 1062942371 /nfs/dbraw/zinc/94/23/71/1062942371.db2.gz RUGIKSBMIBDOIF-SFHVURJKSA-N 1 0 308.510 4.214 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1cc(C)ccc1C ZINC001460624988 1062944546 /nfs/dbraw/zinc/94/45/46/1062944546.db2.gz CRSFMUFIXWGQIT-LJQANCHMSA-N 1 0 308.425 4.425 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)CC1 ZINC001460650296 1062962135 /nfs/dbraw/zinc/96/21/35/1062962135.db2.gz FCIDJINEWAHFLU-FAFZWHIHSA-N 1 0 300.421 4.277 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCCSC[C@@H]2c2ccccc2)cc1 ZINC001460704831 1062999948 /nfs/dbraw/zinc/99/99/48/1062999948.db2.gz GDKHDRZAPYDJTH-HXUWFJFHSA-N 1 0 322.477 4.281 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@]1(CC)CCc1ccccc1 ZINC001460707734 1063004265 /nfs/dbraw/zinc/00/42/65/1063004265.db2.gz JVEQIXYVGMJTNZ-WOJBJXKFSA-N 1 0 301.474 4.191 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCc2nc(N(C)C)sc2C1 ZINC001460711972 1063007282 /nfs/dbraw/zinc/00/72/82/1063007282.db2.gz GQYMUQRIPIVMCY-UHFFFAOYSA-N 1 0 309.523 4.318 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[NH+]1CCC(CC#N)CC1 ZINC001256845465 1063012128 /nfs/dbraw/zinc/01/21/28/1063012128.db2.gz ZGVXOMUVRFKZQT-ZDUSSCGKSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001460748084 1063034774 /nfs/dbraw/zinc/03/47/74/1063034774.db2.gz KOBITXMBDFQNRU-INIZCTEOSA-N 1 0 318.420 4.437 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCN(C2CCCC2)C1)c1cccc(C#N)c1 ZINC001256905124 1063043512 /nfs/dbraw/zinc/04/35/12/1063043512.db2.gz QABBKQNLEJEVCQ-AZUAARDMSA-N 1 0 311.473 4.006 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccncc1 ZINC001256955740 1063057402 /nfs/dbraw/zinc/05/74/02/1063057402.db2.gz XRLXLQHDITYOPG-NLPFYKDJSA-N 1 0 305.425 4.151 20 30 DIEDRO N#CC1CCC([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001256958544 1063059696 /nfs/dbraw/zinc/05/96/96/1063059696.db2.gz FUYRNLHKTCSOTB-UHFFFAOYSA-N 1 0 308.347 4.366 20 30 DIEDRO N#CC1CCC([NH2+][C@H](c2ccncc2C(F)(F)F)C2CC2)CC1 ZINC001256962285 1063060910 /nfs/dbraw/zinc/06/09/10/1063060910.db2.gz FPRPFEWMSUEQTL-TZDAIYRESA-N 1 0 323.362 4.223 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](c2cncc(C(F)(F)F)c2)C2CC2)CC1 ZINC001256962501 1063061224 /nfs/dbraw/zinc/06/12/24/1063061224.db2.gz NEJMKYSLGRSPQL-QJLPXFQTSA-N 1 0 323.362 4.223 20 30 DIEDRO N#CC1CCC([NH2+]Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC001256964050 1063061359 /nfs/dbraw/zinc/06/13/59/1063061359.db2.gz ULPWSBJWINARPW-UHFFFAOYSA-N 1 0 315.417 4.121 20 30 DIEDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)C1CCC(C#N)CC1 ZINC001256964905 1063061761 /nfs/dbraw/zinc/06/17/61/1063061761.db2.gz GNUGYZKZNPVNPL-FAEJEUNOSA-N 1 0 300.446 4.030 20 30 DIEDRO N#CC1CCC([N@H+](Cc2ccccc2)Cc2cccnc2)CC1 ZINC001256968775 1063062082 /nfs/dbraw/zinc/06/20/82/1063062082.db2.gz MNYALDVHPLGYRR-UHFFFAOYSA-N 1 0 305.425 4.166 20 30 DIEDRO N#CC1CCC([NH2+]CC2(Cc3ccccc3Cl)CC2)CC1 ZINC001256959996 1063062839 /nfs/dbraw/zinc/06/28/39/1063062839.db2.gz CYCMZBYKCFVTER-UHFFFAOYSA-N 1 0 302.849 4.335 20 30 DIEDRO N#CC1CCC([N@@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)CC1 ZINC001256971294 1063065230 /nfs/dbraw/zinc/06/52/30/1063065230.db2.gz NWTXTBXEUPYKNL-ALLBUHFWSA-N 1 0 312.432 4.188 20 30 DIEDRO N#CC1CCC([NH+]2CCC(Sc3ccccc3)CC2)CC1 ZINC001256972568 1063066020 /nfs/dbraw/zinc/06/60/20/1063066020.db2.gz CLAQBYYSGJEQAA-UHFFFAOYSA-N 1 0 300.471 4.325 20 30 DIEDRO C=C(C)c1cccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001472268149 1063066556 /nfs/dbraw/zinc/06/65/56/1063066556.db2.gz YRBYWXKNVDRNQQ-LJQANCHMSA-N 1 0 308.425 4.351 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCc3cccc(O)c3)CC2)cc1 ZINC001257007759 1063074106 /nfs/dbraw/zinc/07/41/06/1063074106.db2.gz DDHBNNMOJRCSCW-UHFFFAOYSA-N 1 0 320.436 4.122 20 30 DIEDRO CCCCCCCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001472326812 1063074360 /nfs/dbraw/zinc/07/43/60/1063074360.db2.gz AUIIKCGTRJMNPP-QZTJIDSGSA-N 1 0 308.510 4.068 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCCC[C@H]3F)CC2)cc1 ZINC001257007922 1063074480 /nfs/dbraw/zinc/07/44/80/1063074480.db2.gz GHWCMQWVMYHZCE-CSODTCANSA-N 1 0 300.421 4.455 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3CC[C@H](C#N)CC3)CC2)cc1 ZINC001257011699 1063077513 /nfs/dbraw/zinc/07/75/13/1063077513.db2.gz YRVQYJFZFLMMQE-CSDCYZPHSA-N 1 0 307.441 4.256 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]C3(c4ccccn4)CC3)CC2)cc1 ZINC001257010828 1063078293 /nfs/dbraw/zinc/07/82/93/1063078293.db2.gz JGPMFFHATMJYAV-UHFFFAOYSA-N 1 0 317.436 4.258 20 30 DIEDRO Cc1cncc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001257010258 1063078852 /nfs/dbraw/zinc/07/88/52/1063078852.db2.gz VSPRUHXSMPXEDQ-UHFFFAOYSA-N 1 0 305.425 4.078 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CCO1 ZINC001257010987 1063079055 /nfs/dbraw/zinc/07/90/55/1063079055.db2.gz PEXWTBNCHATQEU-ACBHZAAOSA-N 1 0 312.457 4.132 20 30 DIEDRO N#Cc1ccc(C2CCC([NH+]3CC4(C3)CC(F)(F)C4)CC2)cc1 ZINC001257016231 1063079803 /nfs/dbraw/zinc/07/98/03/1063079803.db2.gz YQJNXFWTEZVROZ-UHFFFAOYSA-N 1 0 316.395 4.316 20 30 DIEDRO C[N@H+](Cc1cccc(O)c1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257017217 1063080011 /nfs/dbraw/zinc/08/00/11/1063080011.db2.gz QWGKMUMLVMQRPD-UHFFFAOYSA-N 1 0 320.436 4.422 20 30 DIEDRO N#CCC1([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CCCC1 ZINC001257015185 1063080488 /nfs/dbraw/zinc/08/04/88/1063080488.db2.gz FSCJXIXBYLATAT-UHFFFAOYSA-N 1 0 307.441 4.401 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCc3ccccc3O)CC2)cc1 ZINC001257012628 1063081471 /nfs/dbraw/zinc/08/14/71/1063081471.db2.gz LQGGAFKHQIQWSW-UHFFFAOYSA-N 1 0 320.436 4.122 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCc4cnccc4C3)CC2)cc1 ZINC001257017376 1063082024 /nfs/dbraw/zinc/08/20/24/1063082024.db2.gz SORIDRFKXKFJOB-UHFFFAOYSA-N 1 0 317.436 4.038 20 30 DIEDRO C#CCCC1(CC[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)N=N1 ZINC001257015291 1063082502 /nfs/dbraw/zinc/08/25/02/1063082502.db2.gz IQEPVDGIWPCGHF-UHFFFAOYSA-N 1 0 320.440 4.140 20 30 DIEDRO Cc1nc2c(s1)CN(C1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001257022616 1063083719 /nfs/dbraw/zinc/08/37/19/1063083719.db2.gz OCJODTYBTOLCHZ-UHFFFAOYSA-N 1 0 323.465 4.365 20 30 DIEDRO C[N@H+](C[C@@H]1CCCCO1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257020494 1063083973 /nfs/dbraw/zinc/08/39/73/1063083973.db2.gz GFZSFKSXNLAMKW-MHJFOBGBSA-N 1 0 312.457 4.085 20 30 DIEDRO CO[C@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257018683 1063084685 /nfs/dbraw/zinc/08/46/85/1063084685.db2.gz BBZRQTIFGAQOMY-MHJFOBGBSA-N 1 0 312.457 4.085 20 30 DIEDRO CC[N@H+](C1CCOCC1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257020157 1063085165 /nfs/dbraw/zinc/08/51/65/1063085165.db2.gz BAWPIKJGEXMLAK-UHFFFAOYSA-N 1 0 312.457 4.085 20 30 DIEDRO CCOC1CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257021563 1063085702 /nfs/dbraw/zinc/08/57/02/1063085702.db2.gz WGDTWDIELQOWOF-UHFFFAOYSA-N 1 0 312.457 4.085 20 30 DIEDRO CCCO[C@@H]1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257021321 1063086010 /nfs/dbraw/zinc/08/60/10/1063086010.db2.gz SLEOFSZISYHUMV-SOAGJPPSSA-N 1 0 312.457 4.085 20 30 DIEDRO Cc1cccc(C)c1C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC001460851746 1063101253 /nfs/dbraw/zinc/10/12/53/1063101253.db2.gz YCPFYYRFSNLKAP-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001460872160 1063111971 /nfs/dbraw/zinc/11/19/71/1063111971.db2.gz QVJSHEHFRVMDQY-IBGZPJMESA-N 1 0 310.466 4.259 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1nc(C)c(C#N)cc1Cl)CC(C)C ZINC001472649985 1063119437 /nfs/dbraw/zinc/11/94/37/1063119437.db2.gz FBRJLPZZHUCEFJ-HNNXBMFYSA-N 1 0 322.884 4.084 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001257140707 1063120621 /nfs/dbraw/zinc/12/06/21/1063120621.db2.gz VTZCONAXUPCGOZ-JKSUJKDBSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCCC[N@@H+](CC)CC1(O)CCC(c2ccccc2)CC1 ZINC001460899804 1063124365 /nfs/dbraw/zinc/12/43/65/1063124365.db2.gz KJOCUTUWMARXJJ-UHFFFAOYSA-N 1 0 301.474 4.363 20 30 DIEDRO Cc1cc(Nc2ccc(CC[NH+]3CCCCC3)cc2)ncc1C#N ZINC001472665368 1063132254 /nfs/dbraw/zinc/13/22/54/1063132254.db2.gz NNUBIYVNOXJOLV-UHFFFAOYSA-N 1 0 320.440 4.034 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460946163 1063151632 /nfs/dbraw/zinc/15/16/32/1063151632.db2.gz HVJCIQLBQHMZQG-JXFKEZNVSA-N 1 0 306.409 4.083 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[N@@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC001257285073 1063179461 /nfs/dbraw/zinc/17/94/61/1063179461.db2.gz MXOFVIGZNREWKP-IERDGZPVSA-N 1 0 322.452 4.405 20 30 DIEDRO CCCCCCCC[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC001461004670 1063179579 /nfs/dbraw/zinc/17/95/79/1063179579.db2.gz JGRXUEWGSPVXIV-UHFFFAOYSA-N 1 0 314.477 4.334 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001472726535 1063187836 /nfs/dbraw/zinc/18/78/36/1063187836.db2.gz GKLJKTUQWGXJPS-DOTOQJQBSA-N 1 0 323.415 4.081 20 30 DIEDRO CCC(CC)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001257300706 1063190662 /nfs/dbraw/zinc/19/06/62/1063190662.db2.gz FYHBVYFNOKTQDF-UHFFFAOYSA-N 1 0 306.837 4.243 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C(CCC)CCC)C2 ZINC001257336536 1063216464 /nfs/dbraw/zinc/21/64/64/1063216464.db2.gz BKZGLZQOICJVCI-MOPGFXCFSA-N 1 0 309.494 4.029 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC001472769336 1063221041 /nfs/dbraw/zinc/22/10/41/1063221041.db2.gz MVGKHNYKWWXYDU-INIZCTEOSA-N 1 0 315.436 4.215 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)CCCCCC)CC2 ZINC001257365687 1063233307 /nfs/dbraw/zinc/23/33/07/1063233307.db2.gz NVKVKBHZPSKPIC-QUCCMNQESA-N 1 0 320.521 4.378 20 30 DIEDRO COc1ccc(CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC001461098159 1063250433 /nfs/dbraw/zinc/25/04/33/1063250433.db2.gz VUGLFPJLRJZRQT-UHFFFAOYSA-N 1 0 322.452 4.219 20 30 DIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC001461098936 1063254077 /nfs/dbraw/zinc/25/40/77/1063254077.db2.gz ZFNVCSOASFMOHC-KRWDZBQOSA-N 1 0 308.425 4.041 20 30 DIEDRO CCCC[C@H](CC)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001257410091 1063258141 /nfs/dbraw/zinc/25/81/41/1063258141.db2.gz QHDVICDWYAOULW-IBGZPJMESA-N 1 0 313.489 4.081 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H](C)CCCCC)C2 ZINC001257509527 1063318329 /nfs/dbraw/zinc/31/83/29/1063318329.db2.gz HEGBDCIVNXWXEG-IPMKNSEASA-N 1 0 309.494 4.029 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCCCC)[C@@H]2CC ZINC001257512089 1063323681 /nfs/dbraw/zinc/32/36/81/1063323681.db2.gz ZPWSMLCCMBCBGF-NSHGMRRFSA-N 1 0 320.521 4.377 20 30 DIEDRO CCCCCCCCCC[C@H](C)n1c(C)ncc(CN)c1=N ZINC001257548224 1063328364 /nfs/dbraw/zinc/32/83/64/1063328364.db2.gz UJGSPROAGSFSOH-HNNXBMFYSA-N 1 0 306.498 4.221 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(CC(C)C)nc1 ZINC001461205835 1063329682 /nfs/dbraw/zinc/32/96/82/1063329682.db2.gz XPTIWCZOQNJEKH-UHFFFAOYSA-N 1 0 310.441 4.135 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001461203854 1063330553 /nfs/dbraw/zinc/33/05/53/1063330553.db2.gz DIXDPORQJNWDME-UHFFFAOYSA-N 1 0 307.437 4.187 20 30 DIEDRO CCCCCCCCCC[C@H](C)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001257550910 1063332261 /nfs/dbraw/zinc/33/22/61/1063332261.db2.gz XITMDKJJRBDGKZ-IRXDYDNUSA-N 1 0 317.539 4.025 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001257555094 1063335135 /nfs/dbraw/zinc/33/51/35/1063335135.db2.gz ZXWXTIHKXMRQTP-NOLJZWGESA-N 1 0 321.262 4.052 20 30 DIEDRO CCCCCC(CCCCC)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001257553380 1063337069 /nfs/dbraw/zinc/33/70/69/1063337069.db2.gz HZGRUNZGGHAERN-UHFFFAOYSA-N 1 0 322.493 4.294 20 30 DIEDRO C[C@H](SCC[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC001473023163 1063362295 /nfs/dbraw/zinc/36/22/95/1063362295.db2.gz AAUNLOCRELYTSD-INIZCTEOSA-N 1 0 310.466 4.484 20 30 DIEDRO Cc1cc(SCC[N@@H+](C)Cc2ccc(F)cc2)ccc1C#N ZINC001473049296 1063373373 /nfs/dbraw/zinc/37/33/73/1063373373.db2.gz UUQRZGKBLOFDEJ-UHFFFAOYSA-N 1 0 314.429 4.230 20 30 DIEDRO C=CCc1cc(C[NH2+]CC(C)(C)CC(C)C)cc(OC)c1O ZINC001461273665 1063381430 /nfs/dbraw/zinc/38/14/30/1063381430.db2.gz NMODVTKGZHVNFS-UHFFFAOYSA-N 1 0 305.462 4.291 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](SCC)C2)cc1 ZINC001461272136 1063381565 /nfs/dbraw/zinc/38/15/65/1063381565.db2.gz CJQZLPKMNPXVQV-PKOBYXMFSA-N 1 0 317.498 4.243 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257801286 1063386793 /nfs/dbraw/zinc/38/67/93/1063386793.db2.gz VHGBGTAHFGHUGA-APWZRJJASA-N 1 0 322.493 4.112 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCC(OCc3ccccc3)CC2)CC1 ZINC001257824129 1063397282 /nfs/dbraw/zinc/39/72/82/1063397282.db2.gz XDFPBHGFKASFJL-LLVHZLCXSA-N 1 0 312.457 4.186 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC)C1 ZINC001461299569 1063400142 /nfs/dbraw/zinc/40/01/42/1063400142.db2.gz BRZPRIDHDOMUTM-IUODEOHRSA-N 1 0 324.262 4.292 20 30 DIEDRO N#CCC1(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)CC1 ZINC001473110055 1063409637 /nfs/dbraw/zinc/40/96/37/1063409637.db2.gz KRXQPDRBLGCTQV-UHFFFAOYSA-N 1 0 308.347 4.364 20 30 DIEDRO CC(C)OC1CCC([NH2+]C(C)(C)c2ccc(C#N)cc2)CC1 ZINC001257870384 1063412661 /nfs/dbraw/zinc/41/26/61/1063412661.db2.gz MWYRFCGSWLCPFV-UHFFFAOYSA-N 1 0 300.446 4.119 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(C)cc(C#N)cc1C ZINC001473114452 1063416950 /nfs/dbraw/zinc/41/69/50/1063416950.db2.gz CYHVPUKWBXTMSR-UHFFFAOYSA-N 1 0 320.436 4.372 20 30 DIEDRO CC[N@H+](CCc1ccc(F)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001473116807 1063418618 /nfs/dbraw/zinc/41/86/18/1063418618.db2.gz CTZSNPHFKSMBTD-AWEZNQCLSA-N 1 0 314.379 4.462 20 30 DIEDRO CC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001473117592 1063419001 /nfs/dbraw/zinc/41/90/01/1063419001.db2.gz LZGNEZISNADGMD-WWMYMODYSA-N 1 0 322.452 4.106 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C3CC(C)(C)N(O)C(C)(C)C3)C[C@H](C1)C2 ZINC001257886933 1063425362 /nfs/dbraw/zinc/42/53/62/1063425362.db2.gz QNEUEVFOICOTRX-XYPWUTKMSA-N 1 0 306.494 4.122 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H](O)c3cccc(Cl)c3)C[C@H](C1)C2 ZINC001257887765 1063425487 /nfs/dbraw/zinc/42/54/87/1063425487.db2.gz IZJRRIPLWOPOQQ-TURZLHOUSA-N 1 0 305.849 4.098 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001461334038 1063426656 /nfs/dbraw/zinc/42/66/56/1063426656.db2.gz RSPGISTUDIZICN-UHFFFAOYSA-N 1 0 315.388 4.300 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccc4nnc(C(C)C)n4c3)C[C@H](C1)C2 ZINC001257890307 1063427191 /nfs/dbraw/zinc/42/71/91/1063427191.db2.gz IOPRUYAKTMGIQY-JWTNVVGKSA-N 1 0 324.472 4.077 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cc(OC(C)C)ccn3)C[C@H](C1)C2 ZINC001257890351 1063427385 /nfs/dbraw/zinc/42/73/85/1063427385.db2.gz JSANYNZQXTUMDB-SJPCQFCGSA-N 1 0 300.446 4.093 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccc(Cl)c(C#N)c3)C[C@H](C1)C2 ZINC001257889881 1063428149 /nfs/dbraw/zinc/42/81/49/1063428149.db2.gz MGLUYKXWCBKFRC-FKEKPDDDSA-N 1 0 300.833 4.436 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](c3cncc(OC)c3)C3CC3)C[C@H](C1)C2 ZINC001257889718 1063428675 /nfs/dbraw/zinc/42/86/75/1063428675.db2.gz ISUBRDRTHRDFFX-YJDHPSNDSA-N 1 0 312.457 4.266 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](c3ncccc3F)C3CC3)C[C@H](C1)C2 ZINC001257889805 1063428720 /nfs/dbraw/zinc/42/87/20/1063428720.db2.gz JTURAWNXPJYVHH-RWTLQYPYSA-N 1 0 300.421 4.396 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](CO)c3ccccc3Cl)C[C@H](C1)C2 ZINC001257890477 1063428852 /nfs/dbraw/zinc/42/88/52/1063428852.db2.gz OHOBJSUBKSCMGU-JCHQDKQGSA-N 1 0 305.849 4.098 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](c3cccnc3F)C3CC3)C[C@H](C1)C2 ZINC001257889548 1063428866 /nfs/dbraw/zinc/42/88/66/1063428866.db2.gz FGFDMMGAKZXPBZ-RWTLQYPYSA-N 1 0 300.421 4.396 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](c3ccc(F)cn3)C3CC3)C[C@H](C1)C2 ZINC001257890418 1063429079 /nfs/dbraw/zinc/42/90/79/1063429079.db2.gz KVDJSJAOHJLUAK-ORDNPPIHSA-N 1 0 300.421 4.396 20 30 DIEDRO C=CC[N@H+](Cc1cc(Cl)cc(Br)c1)C(C)C ZINC001473126597 1063429796 /nfs/dbraw/zinc/42/97/96/1063429796.db2.gz TXGLAQGKGWXLEX-UHFFFAOYSA-N 1 0 302.643 4.499 20 30 DIEDRO CC(C)C[N@H+](CCc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC001473128762 1063434239 /nfs/dbraw/zinc/43/42/39/1063434239.db2.gz PROJWMNORDYJOI-UHFFFAOYSA-N 1 0 310.416 4.398 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC001473130270 1063438780 /nfs/dbraw/zinc/43/87/80/1063438780.db2.gz WOXCVOOLSQDIRT-LJQANCHMSA-N 1 0 307.437 4.256 20 30 DIEDRO C[C@@H](C[N@H+](C)CCCOc1cccc(C#N)c1)c1ccccc1 ZINC001473146898 1063453932 /nfs/dbraw/zinc/45/39/32/1063453932.db2.gz SYIRBZVTBOVRBS-KRWDZBQOSA-N 1 0 308.425 4.063 20 30 DIEDRO CCS[C@H]1CCCC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001473158507 1063462288 /nfs/dbraw/zinc/46/22/88/1063462288.db2.gz MFVUPYKPFJSCDU-KRWDZBQOSA-N 1 0 302.487 4.283 20 30 DIEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001461393728 1063471974 /nfs/dbraw/zinc/47/19/74/1063471974.db2.gz YLEPRPAWQPGUBQ-ZDUSSCGKSA-N 1 0 321.873 4.343 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc(Br)cnc1Cl ZINC001461394414 1063472133 /nfs/dbraw/zinc/47/21/33/1063472133.db2.gz XTJCPSJGPUHCJE-SNVBAGLBSA-N 1 0 317.658 4.332 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](CC(=O)OC)c1ccccn1 ZINC001258041328 1063474440 /nfs/dbraw/zinc/47/44/40/1063474440.db2.gz RNJALNXQSHJPDO-NVXWUHKLSA-N 1 0 306.450 4.024 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1(c2ccccn2)CCOCC1 ZINC001258043386 1063474622 /nfs/dbraw/zinc/47/46/22/1063474622.db2.gz OHFHALUHWVAODT-GOSISDBHSA-N 1 0 318.505 4.468 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1(c2ccc(OC)cn2)CC1 ZINC001258042466 1063474827 /nfs/dbraw/zinc/47/48/27/1063474827.db2.gz AWIKCHMUERJSOW-INIZCTEOSA-N 1 0 304.478 4.460 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](CC(=O)OC)c1ccccn1 ZINC001258041327 1063474933 /nfs/dbraw/zinc/47/49/33/1063474933.db2.gz RNJALNXQSHJPDO-DOTOQJQBSA-N 1 0 306.450 4.024 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](CC(=O)OC)c1cccnc1 ZINC001258041709 1063475174 /nfs/dbraw/zinc/47/51/74/1063475174.db2.gz ZKXAAUKWGWXDKV-RDJZCZTQSA-N 1 0 306.450 4.024 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001258042082 1063475215 /nfs/dbraw/zinc/47/52/15/1063475215.db2.gz GKPJHAPGPALJQW-SJLPKXTDSA-N 1 0 318.505 4.064 20 30 DIEDRO CCCCCCC[C@H](C)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258041599 1063475295 /nfs/dbraw/zinc/47/52/95/1063475295.db2.gz XFYSYDAYEHCLTQ-BZSNNMDCSA-N 1 0 318.509 4.302 20 30 DIEDRO CCCCCCC[C@H](C)n1nc(COCC2CC2)c2c1C[NH2+]C2 ZINC001258043710 1063477157 /nfs/dbraw/zinc/47/71/57/1063477157.db2.gz FTLCPZSFCZGIPL-HNNXBMFYSA-N 1 0 319.493 4.334 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001258046739 1063477412 /nfs/dbraw/zinc/47/74/12/1063477412.db2.gz DENDDUOUHCRHGN-INIZCTEOSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001258046667 1063477436 /nfs/dbraw/zinc/47/74/36/1063477436.db2.gz CCGZEEIDCULCOS-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001258046967 1063478393 /nfs/dbraw/zinc/47/83/93/1063478393.db2.gz GKAJDMBOXLDTIK-QZTJIDSGSA-N 1 0 308.510 4.070 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC001473173506 1063478485 /nfs/dbraw/zinc/47/84/85/1063478485.db2.gz LPQLYVRWJYHNIA-KSSFIOAISA-N 1 0 324.399 4.084 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccnn1CC(F)(F)F ZINC001258043662 1063478817 /nfs/dbraw/zinc/47/88/17/1063478817.db2.gz RNAOFDRTGXJXBC-ZDUSSCGKSA-N 1 0 305.388 4.284 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc(OCC2CC2)ncn1 ZINC001258043620 1063478935 /nfs/dbraw/zinc/47/89/35/1063478935.db2.gz QJOVNDYSHWRCQE-HNNXBMFYSA-N 1 0 305.466 4.104 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001258046970 1063479079 /nfs/dbraw/zinc/47/90/79/1063479079.db2.gz GKAJDMBOXLDTIK-ZWKOTPCHSA-N 1 0 308.510 4.070 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@@]2(C)CCCc3ccccc32)cc1 ZINC001461408695 1063479373 /nfs/dbraw/zinc/47/93/73/1063479373.db2.gz JIDIQVBRCOFJGZ-JOCHJYFZSA-N 1 0 319.448 4.082 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001258046965 1063479514 /nfs/dbraw/zinc/47/95/14/1063479514.db2.gz GKAJDMBOXLDTIK-MSOLQXFVSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001258048250 1063481619 /nfs/dbraw/zinc/48/16/19/1063481619.db2.gz RWCKRVKEYSZVRO-MJGOQNOKSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001258048252 1063481862 /nfs/dbraw/zinc/48/18/62/1063481862.db2.gz RWCKRVKEYSZVRO-PKOBYXMFSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCc2cnc(SC)nc2C1 ZINC001258049185 1063482028 /nfs/dbraw/zinc/48/20/28/1063482028.db2.gz AZIMTVIDCBCYQA-AWEZNQCLSA-N 1 0 307.507 4.306 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001258052267 1063484458 /nfs/dbraw/zinc/48/44/58/1063484458.db2.gz NNMFQONOFLNJCP-ROUUACIJSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)[O-] ZINC001258053122 1063485868 /nfs/dbraw/zinc/48/58/68/1063485868.db2.gz WIMWLEGFOSSILS-SJORKVTESA-N 1 0 314.514 4.078 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+][C@@H](CO)[C@H]1CCOC1 ZINC001258052157 1063486055 /nfs/dbraw/zinc/48/60/55/1063486055.db2.gz LNRBWAATMNGXBL-FHWLQOOXSA-N 1 0 313.526 4.283 20 30 DIEDRO C=CCSCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC001461426904 1063493155 /nfs/dbraw/zinc/49/31/55/1063493155.db2.gz AYGYUFCNDSTHJQ-UHFFFAOYSA-N 1 0 309.381 4.234 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CCCC1 ZINC001461500177 1063540162 /nfs/dbraw/zinc/54/01/62/1063540162.db2.gz KHQWEIPWVGTZPH-UHFFFAOYSA-N 1 0 313.420 4.238 20 30 DIEDRO C[C@H](CCc1ccccc1)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001461500237 1063540836 /nfs/dbraw/zinc/54/08/36/1063540836.db2.gz VATWVGQWKAHWPO-QGZVFWFLSA-N 1 0 304.437 4.406 20 30 DIEDRO C[C@@H]1CC([NH+]2CCC(Oc3ccccc3C#N)CC2)C[C@@H](C)C1 ZINC001258167381 1063541059 /nfs/dbraw/zinc/54/10/59/1063541059.db2.gz IQRMIWFMIXUQOL-HOTGVXAUSA-N 1 0 312.457 4.226 20 30 DIEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001461508549 1063544074 /nfs/dbraw/zinc/54/40/74/1063544074.db2.gz VYZOYBYCSNLSGD-QGZVFWFLSA-N 1 0 313.466 4.255 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461514659 1063547513 /nfs/dbraw/zinc/54/75/13/1063547513.db2.gz MQMYLROIERMIDA-UHFFFAOYSA-N 1 0 300.358 4.157 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCC2(C)C)cc(OC)c1O ZINC001461531785 1063561179 /nfs/dbraw/zinc/56/11/79/1063561179.db2.gz MBQVJQVVRKYOGE-MRXNPFEDSA-N 1 0 303.446 4.045 20 30 DIEDRO C=C[C@@H](CC)CC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001546125107 1063563372 /nfs/dbraw/zinc/56/33/72/1063563372.db2.gz VKEQXOWNGZKSJB-SFHVURJKSA-N 1 0 322.537 4.195 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001258229965 1063567485 /nfs/dbraw/zinc/56/74/85/1063567485.db2.gz WEADPZDAWGRGLQ-HKUYNNGSSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC001258228082 1063567627 /nfs/dbraw/zinc/56/76/27/1063567627.db2.gz CXKVOLWYHUSBDU-UXHICEINSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001258229961 1063568075 /nfs/dbraw/zinc/56/80/75/1063568075.db2.gz WCIPOWBJROPKDC-KRWDZBQOSA-N 1 0 309.494 4.340 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001258228807 1063568455 /nfs/dbraw/zinc/56/84/55/1063568455.db2.gz KBIKTARYDCJCAW-ZWKOTPCHSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCCCC[C@H](C)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001258228636 1063568843 /nfs/dbraw/zinc/56/88/43/1063568843.db2.gz IXVKOUFFYSUHSA-IRXDYDNUSA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC001258228080 1063569979 /nfs/dbraw/zinc/56/99/79/1063569979.db2.gz CXKVOLWYHUSBDU-PMACEKPBSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]CC1CCN(C(C)=O)CC1 ZINC001258231012 1063570937 /nfs/dbraw/zinc/57/09/37/1063570937.db2.gz FXQXWLGAROGSJS-QGZVFWFLSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]Cc1cncn1CCOC ZINC001258231596 1063572625 /nfs/dbraw/zinc/57/26/25/1063572625.db2.gz RDMXYBXDNXYJMR-KRWDZBQOSA-N 1 0 309.498 4.148 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258231822 1063572688 /nfs/dbraw/zinc/57/26/88/1063572688.db2.gz VEPNCCXQLQXYIN-OAHLLOKOSA-N 1 0 323.477 4.465 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001461570637 1063585940 /nfs/dbraw/zinc/58/59/40/1063585940.db2.gz JMMHZNZURCIGOR-HNNXBMFYSA-N 1 0 305.343 4.381 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1CCCC(C)(C)C1)C2 ZINC001258286136 1063586127 /nfs/dbraw/zinc/58/61/27/1063586127.db2.gz GXOFDLFGGKRRQK-QWFCFKBJSA-N 1 0 321.505 4.029 20 30 DIEDRO CC1(C)CCC[C@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)C1 ZINC001258290833 1063589837 /nfs/dbraw/zinc/58/98/37/1063589837.db2.gz XCQSTDFYCPAPRR-KRWDZBQOSA-N 1 0 312.457 4.370 20 30 DIEDRO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]CC1(C#N)CCC1 ZINC001258297294 1063594673 /nfs/dbraw/zinc/59/46/73/1063594673.db2.gz HHVBOPTYAHJTFQ-CQSZACIVSA-N 1 0 306.475 4.353 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001461597224 1063603461 /nfs/dbraw/zinc/60/34/61/1063603461.db2.gz ZLIHUDSDEGAPHI-UYAOXDASSA-N 1 0 308.400 4.215 20 30 DIEDRO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001258313610 1063604083 /nfs/dbraw/zinc/60/40/83/1063604083.db2.gz FSCSIGDWFMJQRW-GJZGRUSLSA-N 1 0 306.475 4.306 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258314302 1063606293 /nfs/dbraw/zinc/60/62/93/1063606293.db2.gz RXRADNDYQZNPMO-HZPDHXFCSA-N 1 0 305.487 4.415 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc(SC(F)F)cc1 ZINC001461620528 1063619515 /nfs/dbraw/zinc/61/95/15/1063619515.db2.gz ZEKKXYMLOITNHK-UHFFFAOYSA-N 1 0 303.443 4.400 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2c(C3CCC3)cnn2C)CCCC1 ZINC001461630105 1063624837 /nfs/dbraw/zinc/62/48/37/1063624837.db2.gz HRCTWEMZBOEADB-UHFFFAOYSA-N 1 0 301.478 4.304 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC001461632374 1063626971 /nfs/dbraw/zinc/62/69/71/1063626971.db2.gz NXIXOFCTAAHOFO-CLCXKQKWSA-N 1 0 315.457 4.243 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C1CCC(C2CCC2)CC1 ZINC001461648732 1063634048 /nfs/dbraw/zinc/63/40/48/1063634048.db2.gz NBFDWNFOGOFVBC-UHFFFAOYSA-N 1 0 311.473 4.073 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CC2)cc1 ZINC001258392573 1063635765 /nfs/dbraw/zinc/63/57/65/1063635765.db2.gz BLJLLOPAQWVCJN-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC001461662344 1063642417 /nfs/dbraw/zinc/64/24/17/1063642417.db2.gz WLLUNMIPEBIOCP-UHFFFAOYSA-N 1 0 309.475 4.260 20 30 DIEDRO CC[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001461676082 1063651044 /nfs/dbraw/zinc/65/10/44/1063651044.db2.gz KEYUYFMUSQDRTJ-APWZRJJASA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001461674310 1063651796 /nfs/dbraw/zinc/65/17/96/1063651796.db2.gz AVQXULQENXHJGT-PKOBYXMFSA-N 1 0 300.490 4.404 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H](CC)CCCCC)CCC2 ZINC001258439623 1063654084 /nfs/dbraw/zinc/65/40/84/1063654084.db2.gz JSLHSHDGAQGSKG-KRWDZBQOSA-N 1 0 319.493 4.150 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001461684962 1063655855 /nfs/dbraw/zinc/65/58/55/1063655855.db2.gz SOISIGYWJCIKQV-NCOADZHNSA-N 1 0 322.493 4.109 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)C2 ZINC001461706613 1063670205 /nfs/dbraw/zinc/67/02/05/1063670205.db2.gz ZCRMVHUUUMQKDI-INIZCTEOSA-N 1 0 317.219 4.122 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1cnc2ccccc2c1 ZINC001461737834 1063688167 /nfs/dbraw/zinc/68/81/67/1063688167.db2.gz CHROSYXQMBTWOG-UHFFFAOYSA-N 1 0 315.420 4.056 20 30 DIEDRO N#CCC1([NH2+]C2CCN(c3ccccc3Cl)CC2)CCCC1 ZINC001258541526 1063689160 /nfs/dbraw/zinc/68/91/60/1063689160.db2.gz OVONFQCVIQUQAE-UHFFFAOYSA-N 1 0 317.864 4.125 20 30 DIEDRO C#CC1([NH2+]C2CCN(c3ccccc3Cl)CC2)CCCCC1 ZINC001258541062 1063689758 /nfs/dbraw/zinc/68/97/58/1063689758.db2.gz XTMPDLZUKCBQRD-UHFFFAOYSA-N 1 0 316.876 4.235 20 30 DIEDRO C[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC001461757350 1063700317 /nfs/dbraw/zinc/70/03/17/1063700317.db2.gz XZWXHQXEIKIOSO-LLVKDONJSA-N 1 0 309.251 4.093 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc1OC ZINC001461766810 1063705060 /nfs/dbraw/zinc/70/50/60/1063705060.db2.gz NKFMQDANTRKFAJ-OEYIWLLWSA-N 1 0 321.848 4.048 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2CC23CC(O)C3)cc1 ZINC001461783770 1063715096 /nfs/dbraw/zinc/71/50/96/1063715096.db2.gz VCPNTFBYWNIQAZ-SYYJFZTOSA-N 1 0 317.473 4.039 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)cc(OC)c1O ZINC001461830009 1063741601 /nfs/dbraw/zinc/74/16/01/1063741601.db2.gz MDOGZUHQGONYFR-ROUUACIJSA-N 1 0 315.457 4.045 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC001461854797 1063751724 /nfs/dbraw/zinc/75/17/24/1063751724.db2.gz VFMZFMIILBCVAB-GOSISDBHSA-N 1 0 310.416 4.459 20 30 DIEDRO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258709591 1063766254 /nfs/dbraw/zinc/76/62/54/1063766254.db2.gz LTMYLQVQTGWBRB-QZTJIDSGSA-N 1 0 315.482 4.062 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@H](O)c1ccncc1 ZINC001258714680 1063770869 /nfs/dbraw/zinc/77/08/69/1063770869.db2.gz TYCXCALIIJYHOD-OALUTQOASA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCC(NC(C)=O)CC1 ZINC001258714573 1063771139 /nfs/dbraw/zinc/77/11/39/1063771139.db2.gz QJQQAJXCZQWDCI-LJQANCHMSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001258714756 1063771415 /nfs/dbraw/zinc/77/14/15/1063771415.db2.gz VIUVWYMNUFFVLY-KRWDZBQOSA-N 1 0 324.509 4.336 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]C1CCN(C2COC2)CC1 ZINC001258715333 1063772213 /nfs/dbraw/zinc/77/22/13/1063772213.db2.gz CVUKJSKDNZPVEI-LJQANCHMSA-N 1 0 324.553 4.214 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001258716654 1063772624 /nfs/dbraw/zinc/77/26/24/1063772624.db2.gz CPPNMOHWJTWXLK-IXDOHACOSA-N 1 0 324.509 4.214 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)n1[nH]c(=O)c(CC[NH3+])c1C ZINC001258716032 1063772639 /nfs/dbraw/zinc/77/26/39/1063772639.db2.gz QMPRIHDLQOUPBW-MRXNPFEDSA-N 1 0 309.498 4.346 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)N1CCn2c(CC)nnc2C1 ZINC001258714915 1063772712 /nfs/dbraw/zinc/77/27/12/1063772712.db2.gz XJJSFSSXVUQBMA-KRWDZBQOSA-N 1 0 320.525 4.431 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001258716653 1063773105 /nfs/dbraw/zinc/77/31/05/1063773105.db2.gz CPPNMOHWJTWXLK-IKGGRYGDSA-N 1 0 324.509 4.214 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001258717237 1063773463 /nfs/dbraw/zinc/77/34/63/1063773463.db2.gz KTBXAQOXZIVRDL-QAPCUYQASA-N 1 0 306.881 4.421 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(OC(=O)C(C)(C)C)cc1 ZINC001258717280 1063774517 /nfs/dbraw/zinc/77/45/17/1063774517.db2.gz OBPVNQDFGXMCGY-OAHLLOKOSA-N 1 0 303.446 4.125 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 ZINC001258717585 1063774585 /nfs/dbraw/zinc/77/45/85/1063774585.db2.gz QZRIOCKNNJRCLG-VNCLNFNDSA-N 1 0 322.493 4.301 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC001258719309 1063775199 /nfs/dbraw/zinc/77/51/99/1063775199.db2.gz ADWNGRFEHQFFRG-LLVKDONJSA-N 1 0 311.351 4.036 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C[C@H](C)COC)C(C)(C)C)cc1 ZINC001461886092 1063775114 /nfs/dbraw/zinc/77/51/14/1063775114.db2.gz ANMKKAJJIVYOKK-INIZCTEOSA-N 1 0 305.462 4.134 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001258718584 1063775558 /nfs/dbraw/zinc/77/55/58/1063775558.db2.gz RJVCGQRVPAHPGG-HRCADAONSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001258718585 1063775597 /nfs/dbraw/zinc/77/55/97/1063775597.db2.gz RJVCGQRVPAHPGG-OAGGEKHMSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCC[C@H](C)n1cc(C[NH3+])c2ccc(Br)cc21 ZINC001258721172 1063776418 /nfs/dbraw/zinc/77/64/18/1063776418.db2.gz OHYAFASPACGIHE-NSHDSACASA-N 1 0 307.235 4.390 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@]1(CCC)CCN1C(=O)OC(C)(C)C ZINC001258723642 1063777098 /nfs/dbraw/zinc/77/70/98/1063777098.db2.gz BELMAWMAMSYNJU-YJBOKZPZSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2cccc(F)c2C)CC1 ZINC001258723158 1063777150 /nfs/dbraw/zinc/77/71/50/1063777150.db2.gz SIAKBHWKRNEJTC-OAHLLOKOSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](c1nc2ccccc2n1C)c1ccncc1 ZINC001258725057 1063778704 /nfs/dbraw/zinc/77/87/04/1063778704.db2.gz FKZGIRFTDFEPGT-HNAYVOBHSA-N 1 0 320.440 4.002 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001258725339 1063779040 /nfs/dbraw/zinc/77/90/40/1063779040.db2.gz KFWHIGCDPMUOJV-VQIMIIECSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1nc2ccccc2n1C)c1ccncc1 ZINC001258725056 1063779238 /nfs/dbraw/zinc/77/92/38/1063779238.db2.gz FKZGIRFTDFEPGT-DNVCBOLYSA-N 1 0 320.440 4.002 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](c1nc2ccccc2n1C)c1ccncc1 ZINC001258725055 1063779284 /nfs/dbraw/zinc/77/92/84/1063779284.db2.gz FKZGIRFTDFEPGT-BEFAXECRSA-N 1 0 320.440 4.002 20 30 DIEDRO C=CCC[C@@H](C)N(c1ncnc2ccccc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723857 1063779457 /nfs/dbraw/zinc/77/94/57/1063779457.db2.gz HHKNHVLDWPOZSD-BRWVUGGUSA-N 1 0 324.472 4.061 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(COc2cccc(OC)c2)CC1 ZINC001258732427 1063781338 /nfs/dbraw/zinc/78/13/38/1063781338.db2.gz LLFOGVCRVJIJDE-INIZCTEOSA-N 1 0 303.446 4.141 20 30 DIEDRO C=CCC[C@H](C)[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC001258732636 1063781571 /nfs/dbraw/zinc/78/15/71/1063781571.db2.gz OKBAYPREHUXUFD-IRXDYDNUSA-N 1 0 302.462 4.389 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001258727523 1063782397 /nfs/dbraw/zinc/78/23/97/1063782397.db2.gz IBOKQUHNEYZXRN-INIZCTEOSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H](C)[N@@H+](CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001258733480 1063784039 /nfs/dbraw/zinc/78/40/39/1063784039.db2.gz DYPQTAAPCOFAGB-HNNXBMFYSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[C@H](C)[N@@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734324 1063784371 /nfs/dbraw/zinc/78/43/71/1063784371.db2.gz WXTWNPKOJBTCML-JKSUJKDBSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[C@@H](C)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001258733277 1063785236 /nfs/dbraw/zinc/78/52/36/1063785236.db2.gz YMBUJGAFLFFYSO-RSRIQPTJSA-N 1 0 314.517 4.236 20 30 DIEDRO C#CC[N@H+](Cc1cc2ccncc2s1)Cc1ccc(F)cc1 ZINC001461897748 1063786961 /nfs/dbraw/zinc/78/69/61/1063786961.db2.gz KZDHOMJBMZZXOC-UHFFFAOYSA-N 1 0 310.397 4.071 20 30 DIEDRO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2Cc2cccc(C#N)n2)cc1 ZINC001461902568 1063789495 /nfs/dbraw/zinc/78/94/95/1063789495.db2.gz MCCINVOLGCJCCP-OXJNMPFZSA-N 1 0 305.425 4.235 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1cccc(C#N)n1 ZINC001461914803 1063797384 /nfs/dbraw/zinc/79/73/84/1063797384.db2.gz QRBOGRFEBBZFJY-KBPBESRZSA-N 1 0 313.832 4.231 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H](CCC)CCCC)C2 ZINC001258759980 1063804833 /nfs/dbraw/zinc/80/48/33/1063804833.db2.gz GRAPOIQNBHAPTH-QUCCMNQESA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](CCC)CCCC)C2 ZINC001258763638 1063810129 /nfs/dbraw/zinc/81/01/29/1063810129.db2.gz VAULHJVPWVGBOY-QYZOEREBSA-N 1 0 309.494 4.171 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H](CC)C[C@@H](C)CC)C2 ZINC001258790095 1063829651 /nfs/dbraw/zinc/82/96/51/1063829651.db2.gz IEICXKWAFCASKL-NLWGTHIKSA-N 1 0 320.521 4.234 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](CC)C[C@@H](C)CC)C2 ZINC001258795979 1063831195 /nfs/dbraw/zinc/83/11/95/1063831195.db2.gz VSBTVNSTMLQEMS-ZSYWTGECSA-N 1 0 309.494 4.027 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](CC)C[C@@H](C)CC)CC2 ZINC001258793240 1063831423 /nfs/dbraw/zinc/83/14/23/1063831423.db2.gz MFAGJSOLYQUFCJ-BJLQDIEVSA-N 1 0 320.521 4.234 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cn(-c2cccc(F)c2)nc1C ZINC001461959250 1063842267 /nfs/dbraw/zinc/84/22/67/1063842267.db2.gz LQKSUYCUZOYCGV-UHFFFAOYSA-N 1 0 315.436 4.498 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)CC3 ZINC001461992480 1063863801 /nfs/dbraw/zinc/86/38/01/1063863801.db2.gz MPTSNJRLQHXOBT-CABCVRRESA-N 1 0 309.457 4.252 20 30 DIEDRO CC[NH+](CC)CCC[C@@H](C)N[C@](C)(C#N)c1ccccc1Cl ZINC001258900319 1063874544 /nfs/dbraw/zinc/87/45/44/1063874544.db2.gz JANXJZOXIMUSCP-CRAIPNDOSA-N 1 0 321.896 4.179 20 30 DIEDRO C=CCN(Cc1ccc(Cl)s1)Cc1ccc2c(n1)CCC2 ZINC001462020469 1063884528 /nfs/dbraw/zinc/88/45/28/1063884528.db2.gz NJYYTMXAXVZKGY-UHFFFAOYSA-N 1 0 318.873 4.473 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC001462101609 1063929043 /nfs/dbraw/zinc/92/90/43/1063929043.db2.gz DJFRUCWTCKEFTR-FTEYMNFISA-N 1 0 300.490 4.321 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1cc(C)ccc1C ZINC001261790247 1063945832 /nfs/dbraw/zinc/94/58/32/1063945832.db2.gz FNRXLLJHSCBPHK-FQEVSTJZSA-N 1 0 308.425 4.447 20 30 DIEDRO C=C[C@H](CC)CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001264490216 1064105158 /nfs/dbraw/zinc/10/51/58/1064105158.db2.gz HHFXKTUDCIFBKB-IAGOWNOFSA-N 1 0 314.473 4.459 20 30 DIEDRO N#Cc1ccccc1CN[C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001279234130 1064337726 /nfs/dbraw/zinc/33/77/26/1064337726.db2.gz ZXJJHJQHCPRHHC-LEWJYISDSA-N 1 0 323.484 4.025 20 30 DIEDRO CCCC[C@H](CC)C[N@@H+]1CCC12CN(c1ccc(C#N)cc1)C2 ZINC001279744899 1064366676 /nfs/dbraw/zinc/36/66/76/1064366676.db2.gz WZLDSMWPYPRTAX-KRWDZBQOSA-N 1 0 311.473 4.039 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001279955125 1064373332 /nfs/dbraw/zinc/37/33/32/1064373332.db2.gz VXQBHCZPJHKGGR-UHOSZYNNSA-N 1 0 323.525 4.099 20 30 DIEDRO CCCCCCCCCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001291562144 1064736933 /nfs/dbraw/zinc/73/69/33/1064736933.db2.gz YVOQSSPHXIOZFX-QZTJIDSGSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001293854736 1064834063 /nfs/dbraw/zinc/83/40/63/1064834063.db2.gz HTPUXODKAGZXLG-KOSVWKSTSA-N 1 0 322.537 4.482 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001303988335 1065126336 /nfs/dbraw/zinc/12/63/36/1065126336.db2.gz HQGIXGRHDSTILZ-LKBMAGLMSA-N 1 0 308.510 4.140 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001307414485 1065375731 /nfs/dbraw/zinc/37/57/31/1065375731.db2.gz KMNJCORXMAWHBW-HNNXBMFYSA-N 1 0 323.396 4.440 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC001307422121 1065383362 /nfs/dbraw/zinc/38/33/62/1065383362.db2.gz NZLZHPNXINZOTG-FQEVSTJZSA-N 1 0 312.457 4.372 20 30 DIEDRO CC[N@H+](CCSC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC001307425513 1065385702 /nfs/dbraw/zinc/38/57/02/1065385702.db2.gz HQWWZUDEOLPWTP-LLVKDONJSA-N 1 0 302.365 4.194 20 30 DIEDRO C#CC[N@@H+](C[C@H]1CCCCC1(F)F)[C@H]1CCc2ccccc21 ZINC001307428403 1065387754 /nfs/dbraw/zinc/38/77/54/1065387754.db2.gz CYYYJDMZCSAMNH-AEFFLSMTSA-N 1 0 303.396 4.435 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCc2ccccc2C1 ZINC001307429264 1065390775 /nfs/dbraw/zinc/39/07/75/1065390775.db2.gz PZWQFVHNSLCUCP-OAQYLSRUSA-N 1 0 322.427 4.467 20 30 DIEDRO CC(C)C[N@H+](CCCc1cccnc1)Cc1ccc(C#N)cc1 ZINC001307438989 1065398902 /nfs/dbraw/zinc/39/89/02/1065398902.db2.gz ZMEAFWFXGWOENL-UHFFFAOYSA-N 1 0 307.441 4.044 20 30 DIEDRO C#CCC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001307442376 1065402036 /nfs/dbraw/zinc/40/20/36/1065402036.db2.gz PBSZWWRTAMZYFN-JFIYKMOQSA-N 1 0 313.441 4.065 20 30 DIEDRO CCCCCCCC[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC001307449111 1065406871 /nfs/dbraw/zinc/40/68/71/1065406871.db2.gz HNHGTRCCWQYVCO-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@H+](CC2CC2)C2CCCCC2)cc1 ZINC001307457531 1065410334 /nfs/dbraw/zinc/41/03/34/1065410334.db2.gz XCKKTGAZWJTJMK-UHFFFAOYSA-N 1 0 324.468 4.041 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC001307463194 1065415390 /nfs/dbraw/zinc/41/53/90/1065415390.db2.gz KMFKYAARSBIEFI-HNNXBMFYSA-N 1 0 309.400 4.037 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC001307465319 1065415678 /nfs/dbraw/zinc/41/56/78/1065415678.db2.gz AMOAKINEIOMRGD-UHFFFAOYSA-N 1 0 308.400 4.213 20 30 DIEDRO C=CC[N@@H+](Cc1ccnc(Br)c1)CC1CCCCC1 ZINC001307470419 1065418993 /nfs/dbraw/zinc/41/89/93/1065418993.db2.gz KHJJZUBILNPFPB-UHFFFAOYSA-N 1 0 323.278 4.412 20 30 DIEDRO C=CC[N@@H+](C[C@H](O)c1ccc(F)cc1C)CC1CCCCC1 ZINC001307470000 1065419627 /nfs/dbraw/zinc/41/96/27/1065419627.db2.gz IPNWJHZSIJEOFQ-IBGZPJMESA-N 1 0 305.437 4.236 20 30 DIEDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC001307471146 1065420130 /nfs/dbraw/zinc/42/01/30/1065420130.db2.gz AWDRWECZIMKOFJ-HNNXBMFYSA-N 1 0 315.417 4.115 20 30 DIEDRO C=CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CCCCC1 ZINC001307471335 1065421204 /nfs/dbraw/zinc/42/12/04/1065421204.db2.gz OIWXCGMHLLTVSI-UHFFFAOYSA-N 1 0 306.381 4.302 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1C#N ZINC001307480300 1065427216 /nfs/dbraw/zinc/42/72/16/1065427216.db2.gz RIBIYIJIPRXEAL-SFHVURJKSA-N 1 0 308.400 4.070 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1cc(C#N)ccn1)CC1CCC1 ZINC001307483802 1065429766 /nfs/dbraw/zinc/42/97/66/1065429766.db2.gz VNPVEHUWWCBELB-INIZCTEOSA-N 1 0 305.425 4.317 20 30 DIEDRO C[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1C ZINC001307488568 1065431809 /nfs/dbraw/zinc/43/18/09/1065431809.db2.gz DDAAKGMWZZWEHY-KBPBESRZSA-N 1 0 311.347 4.057 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001307490681 1065433763 /nfs/dbraw/zinc/43/37/63/1065433763.db2.gz PRUVGRAPLGROJV-MAUKXSAKSA-N 1 0 308.400 4.384 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001307490682 1065434529 /nfs/dbraw/zinc/43/45/29/1065434529.db2.gz PRUVGRAPLGROJV-QAPCUYQASA-N 1 0 308.400 4.384 20 30 DIEDRO Clc1ccc(C#CC[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001307489221 1065435003 /nfs/dbraw/zinc/43/50/03/1065435003.db2.gz HMQPLNCKZFXZDC-IBGZPJMESA-N 1 0 309.840 4.256 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C12CCCCC2 ZINC001307503460 1065445670 /nfs/dbraw/zinc/44/56/70/1065445670.db2.gz ORCPHFZQEDPFND-SJORKVTESA-N 1 0 318.486 4.179 20 30 DIEDRO CCCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001307517297 1065456366 /nfs/dbraw/zinc/45/63/66/1065456366.db2.gz XJRRVAGOGQBXRQ-UHFFFAOYSA-N 1 0 312.498 4.288 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001307523129 1065461311 /nfs/dbraw/zinc/46/13/11/1065461311.db2.gz ILGSJJAUOYHNHG-QGZVFWFLSA-N 1 0 307.478 4.014 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1(CC)CC ZINC001307552195 1065478318 /nfs/dbraw/zinc/47/83/18/1065478318.db2.gz TUDYQYFMJNLESO-CVEARBPZSA-N 1 0 306.475 4.035 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC001307582518 1065496949 /nfs/dbraw/zinc/49/69/49/1065496949.db2.gz GEDXSOCKHSLAKK-LJQANCHMSA-N 1 0 312.457 4.372 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC001307610773 1065514000 /nfs/dbraw/zinc/51/40/00/1065514000.db2.gz MICWHZIBGCQSCY-GFCCVEGCSA-N 1 0 312.251 4.465 20 30 DIEDRO C=C(Br)C[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC001307613637 1065517326 /nfs/dbraw/zinc/51/73/26/1065517326.db2.gz QKIMXDJLARJMSX-CQSZACIVSA-N 1 0 312.251 4.281 20 30 DIEDRO CCCCC[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)C(C)(C)C ZINC001307617511 1065520068 /nfs/dbraw/zinc/52/00/68/1065520068.db2.gz RTZZHEXSKIJFRC-QZTJIDSGSA-N 1 0 302.462 4.176 20 30 DIEDRO CC(C)[C@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC001307621017 1065522950 /nfs/dbraw/zinc/52/29/50/1065522950.db2.gz LBEIJGVTWPCGHB-QGZVFWFLSA-N 1 0 324.428 4.009 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC001307626745 1065526937 /nfs/dbraw/zinc/52/69/37/1065526937.db2.gz MRXMDCZTBLJYKM-SJLPKXTDSA-N 1 0 314.473 4.117 20 30 DIEDRO Cc1cccc(C)c1OC[C@H]([NH2+]CC1(CC#N)CC1)C(C)(C)C ZINC001307637227 1065532991 /nfs/dbraw/zinc/53/29/91/1065532991.db2.gz ONXRHJKJIBUQMZ-KRWDZBQOSA-N 1 0 314.473 4.380 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(F)cc1C#N ZINC001307636374 1065533457 /nfs/dbraw/zinc/53/34/57/1065533457.db2.gz HUNIPCZKWUABIN-IBGZPJMESA-N 1 0 314.379 4.193 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](CC)c2ccc(C)cc2)cc1 ZINC001307642991 1065536245 /nfs/dbraw/zinc/53/62/45/1065536245.db2.gz LRFXTTZPVXTBNA-HXUWFJFHSA-N 1 0 320.436 4.046 20 30 DIEDRO Cc1c2ccccc2sc1[C@@H](C)[NH2+]Cc1ccncc1C#N ZINC001307660265 1065548335 /nfs/dbraw/zinc/54/83/35/1065548335.db2.gz CPZJYEGHEFQCSZ-CYBMUJFWSA-N 1 0 307.422 4.327 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001307676128 1065556971 /nfs/dbraw/zinc/55/69/71/1065556971.db2.gz KDDJQZOAHQUTFG-UHFFFAOYSA-N 1 0 310.828 4.387 20 30 DIEDRO CCCCCCCCC[NH2+][C@H](C)C1CCN(C(=O)OC)CC1 ZINC001307695117 1065568919 /nfs/dbraw/zinc/56/89/19/1065568919.db2.gz HCLGZNYVDDLUDZ-MRXNPFEDSA-N 1 0 312.498 4.194 20 30 DIEDRO CC(C)(COCc1ccccc1)[NH2+]CCCCC1(C#N)CCC1 ZINC001307719375 1065583264 /nfs/dbraw/zinc/58/32/64/1065583264.db2.gz JXDZDHXZAXYTAM-UHFFFAOYSA-N 1 0 314.473 4.436 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2cncc(Br)c2)CCCC1(C)C ZINC001307728688 1065588779 /nfs/dbraw/zinc/58/87/79/1065588779.db2.gz GICIPWYIVBUGQE-HNNXBMFYSA-N 1 0 323.278 4.411 20 30 DIEDRO C=C(C)C[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC001307741281 1065598720 /nfs/dbraw/zinc/59/87/20/1065598720.db2.gz HBHYJJVJZUXJPN-UHFFFAOYSA-N 1 0 306.409 4.015 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1Cl ZINC001307761638 1065609407 /nfs/dbraw/zinc/60/94/07/1065609407.db2.gz JDSSLDSRRPSEDF-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO CC(C)([NH2+]CCOc1ccccc1C#N)c1ccc(Cl)cc1 ZINC001307766481 1065611163 /nfs/dbraw/zinc/61/11/63/1065611163.db2.gz YIXYDVUNYLSOEC-UHFFFAOYSA-N 1 0 314.816 4.115 20 30 DIEDRO CCCC[N@H+](C[C@@H](O)c1cccc(C#N)c1)C1CCCCC1 ZINC001307799587 1065627814 /nfs/dbraw/zinc/62/78/14/1065627814.db2.gz MSLOZIMKOYSNKK-LJQANCHMSA-N 1 0 300.446 4.026 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC001307802906 1065629551 /nfs/dbraw/zinc/62/95/51/1065629551.db2.gz PWPDXMQOKWNLOD-VCBZYWHSSA-N 1 0 308.400 4.464 20 30 DIEDRO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001307863384 1065658722 /nfs/dbraw/zinc/65/87/22/1065658722.db2.gz SIQOIKBTHAHZMW-HZPDHXFCSA-N 1 0 310.482 4.158 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC#Cc1ccccc1Cl ZINC001307860743 1065658798 /nfs/dbraw/zinc/65/87/98/1065658798.db2.gz RAIMBVLIHIVYKD-OAHLLOKOSA-N 1 0 308.812 4.256 20 30 DIEDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001307870950 1065662779 /nfs/dbraw/zinc/66/27/79/1065662779.db2.gz YQBMEIXIMFYGOS-WBVHZDCISA-N 1 0 300.421 4.346 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC001307906141 1065676669 /nfs/dbraw/zinc/67/66/69/1065676669.db2.gz QPSAWIKUEUTZKK-HXUWFJFHSA-N 1 0 322.427 4.337 20 30 DIEDRO C[C@]1(Cc2ccccc2Cl)CCC[N@@H+]1CCCSCC#N ZINC001307925838 1065684309 /nfs/dbraw/zinc/68/43/09/1065684309.db2.gz XELIUKSSBFDESJ-QGZVFWFLSA-N 1 0 322.905 4.384 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C ZINC001307925229 1065684976 /nfs/dbraw/zinc/68/49/76/1065684976.db2.gz YLLDCUMVTNVMIZ-HOTGVXAUSA-N 1 0 320.502 4.336 20 30 DIEDRO CC(C)C[N@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccn1 ZINC001307959262 1065702101 /nfs/dbraw/zinc/70/21/01/1065702101.db2.gz XBWUSFGILUKUNV-UHFFFAOYSA-N 1 0 313.832 4.265 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001308014199 1065725998 /nfs/dbraw/zinc/72/59/98/1065725998.db2.gz FARNOZQKBJNZFA-FQEVSTJZSA-N 1 0 308.400 4.328 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccccc1OC ZINC001308019526 1065726167 /nfs/dbraw/zinc/72/61/67/1065726167.db2.gz LFHKMVHWMBWWTG-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001308061349 1065743668 /nfs/dbraw/zinc/74/36/68/1065743668.db2.gz GLMKCMCEYKPWRZ-CQSZACIVSA-N 1 0 301.792 4.490 20 30 DIEDRO C#CC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001308070024 1065751288 /nfs/dbraw/zinc/75/12/88/1065751288.db2.gz YCJQYRGSFUOLIK-SFHVURJKSA-N 1 0 305.421 4.111 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001308073021 1065751409 /nfs/dbraw/zinc/75/14/09/1065751409.db2.gz FLHXTGZBNAWPFH-SIKLNZKXSA-N 1 0 316.448 4.261 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC001308084215 1065754126 /nfs/dbraw/zinc/75/41/26/1065754126.db2.gz DGIUSOAXAMDVST-QGZVFWFLSA-N 1 0 304.503 4.290 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCCc2ccccc21 ZINC001308103703 1065765688 /nfs/dbraw/zinc/76/56/88/1065765688.db2.gz KOIOQAPZVQQHKW-HXUWFJFHSA-N 1 0 311.375 4.478 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)c1F ZINC001308122721 1065771140 /nfs/dbraw/zinc/77/11/40/1065771140.db2.gz QCMKWNQYYNRBHA-JZHDPFOFSA-N 1 0 306.384 4.375 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc(OCC(F)(F)F)cc1 ZINC001308134928 1065775818 /nfs/dbraw/zinc/77/58/18/1065775818.db2.gz UQIYKDAPYGSBRL-UHFFFAOYSA-N 1 0 301.352 4.416 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc(OCc2ccccn2)cc1 ZINC001308135399 1065775917 /nfs/dbraw/zinc/77/59/17/1065775917.db2.gz XRVDFNADISHKPF-UHFFFAOYSA-N 1 0 310.441 4.449 20 30 DIEDRO C=CC[C@H]1CC[N@H+]1CC1(COc2cccc(COC)c2)CCC1 ZINC001308139282 1065777790 /nfs/dbraw/zinc/77/77/90/1065777790.db2.gz FGOJWZDOTRKPBL-SFHVURJKSA-N 1 0 315.457 4.033 20 30 DIEDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C#N)c(C)c1)c1ccccc1 ZINC001308181939 1065793117 /nfs/dbraw/zinc/79/31/17/1065793117.db2.gz DDKPXDSPVXMCFL-NRFANRHFSA-N 1 0 321.468 4.039 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccc2occc2c1)C(C)C ZINC001308198505 1065807785 /nfs/dbraw/zinc/80/77/85/1065807785.db2.gz ZHOKHSFJGUBWNB-IBGZPJMESA-N 1 0 312.457 4.221 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](C)COCc1ccccc1 ZINC001308233522 1065840574 /nfs/dbraw/zinc/84/05/74/1065840574.db2.gz GLPLZRSPLFSYJU-MRXNPFEDSA-N 1 0 322.452 4.118 20 30 DIEDRO COc1ccc(Cl)cc1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001308234947 1065841628 /nfs/dbraw/zinc/84/16/28/1065841628.db2.gz XMUXRBQZTHCKJS-UHFFFAOYSA-N 1 0 314.816 4.127 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC(C)(C)c2ccccc2F)c1 ZINC001308239820 1065847713 /nfs/dbraw/zinc/84/77/13/1065847713.db2.gz HRABXMFTOOBGEY-UHFFFAOYSA-N 1 0 313.416 4.458 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2cccc(CC3CCC3)c2)CC1 ZINC001308247753 1065852425 /nfs/dbraw/zinc/85/24/25/1065852425.db2.gz YTIJOJHBCPZEBG-UHFFFAOYSA-N 1 0 312.501 4.159 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001308250189 1065854297 /nfs/dbraw/zinc/85/42/97/1065854297.db2.gz GUTIOWDAJPODMB-JKSUJKDBSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)cc(OC)c1O ZINC001308252172 1065856837 /nfs/dbraw/zinc/85/68/37/1065856837.db2.gz QFURKSJYECBYKV-AEFFLSMTSA-N 1 0 317.473 4.434 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC(C)(C)Cc1ccccc1 ZINC001308267238 1065866473 /nfs/dbraw/zinc/86/64/73/1065866473.db2.gz JUXCBAOUCDQJJA-UHFFFAOYSA-N 1 0 307.437 4.057 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001308269640 1065870402 /nfs/dbraw/zinc/87/04/02/1065870402.db2.gz VGJHOZDRMJIUHW-UONOGXRCSA-N 1 0 323.889 4.116 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccncc1 ZINC001308272702 1065871936 /nfs/dbraw/zinc/87/19/36/1065871936.db2.gz HEUAMKAYYRXDDL-MRXNPFEDSA-N 1 0 304.340 4.090 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC001308276469 1065877427 /nfs/dbraw/zinc/87/74/27/1065877427.db2.gz NCGREGSRJAMKGG-BDJLRTHQSA-N 1 0 320.845 4.139 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC001308328453 1065917003 /nfs/dbraw/zinc/91/70/03/1065917003.db2.gz GFXHUKKBFKZLOY-LLVKDONJSA-N 1 0 306.203 4.373 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC001308332470 1065920394 /nfs/dbraw/zinc/92/03/94/1065920394.db2.gz TXPIVCVWCCLGTC-RBSFLKMASA-N 1 0 322.855 4.392 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1OC ZINC001308341192 1065927106 /nfs/dbraw/zinc/92/71/06/1065927106.db2.gz GCIRUNWPPXZSCW-MSOLQXFVSA-N 1 0 314.473 4.171 20 30 DIEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC001308352624 1065933828 /nfs/dbraw/zinc/93/38/28/1065933828.db2.gz ALKVOLRCULJFGL-KRWDZBQOSA-N 1 0 322.452 4.089 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)C1 ZINC001308368439 1065944582 /nfs/dbraw/zinc/94/45/82/1065944582.db2.gz WMIAPKMWVFEKGR-MJGOQNOKSA-N 1 0 315.457 4.235 20 30 DIEDRO C=CCSCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC001308367392 1065944813 /nfs/dbraw/zinc/94/48/13/1065944813.db2.gz DDLMWSKAVCLFME-UHFFFAOYSA-N 1 0 323.408 4.450 20 30 DIEDRO C#C[C@H]([NH2+]Cc1sc2c(cccc2Cl)c1C)[C@@H]1CCCO1 ZINC001308378395 1065950745 /nfs/dbraw/zinc/95/07/45/1065950745.db2.gz XFKJEGUMRVVSAG-GJZGRUSLSA-N 1 0 319.857 4.134 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC001308387588 1065956230 /nfs/dbraw/zinc/95/62/30/1065956230.db2.gz QNTJUOXKGFEKOD-APWZRJJASA-N 1 0 313.466 4.486 20 30 DIEDRO C=C(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC001308401143 1065962908 /nfs/dbraw/zinc/96/29/08/1065962908.db2.gz LIKLMTYZRJKHTF-UHFFFAOYSA-N 1 0 317.436 4.264 20 30 DIEDRO C=CCC1([NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)CCCCC1 ZINC001308403664 1065966104 /nfs/dbraw/zinc/96/61/04/1065966104.db2.gz GBQUXOLSNANXGD-HNNXBMFYSA-N 1 0 315.457 4.387 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C/C=C/c2cc(C)c(C)cc2C)cc1 ZINC001308406772 1065967144 /nfs/dbraw/zinc/96/71/44/1065967144.db2.gz CJIITYNITYPGNZ-VOTSOKGWSA-N 1 0 319.448 4.427 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC001308411960 1065972340 /nfs/dbraw/zinc/97/23/40/1065972340.db2.gz JPHVVBHKRMEYRP-UHFFFAOYSA-N 1 0 320.177 4.106 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1c(C)nn(-c2ccccc2C)c1C ZINC001308414806 1065972920 /nfs/dbraw/zinc/97/29/20/1065972920.db2.gz ADQJWVUAVAMTFB-UHFFFAOYSA-N 1 0 311.473 4.489 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC001308414971 1065973272 /nfs/dbraw/zinc/97/32/72/1065973272.db2.gz BQGOZHRNXNQIDQ-UNMCSNQZSA-N 1 0 319.448 4.372 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC001308414968 1065973519 /nfs/dbraw/zinc/97/35/19/1065973519.db2.gz BQGOZHRNXNQIDQ-RBBKRZOGSA-N 1 0 319.448 4.372 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cc2ccccc2cc1OC ZINC001308457090 1066000384 /nfs/dbraw/zinc/00/03/84/1066000384.db2.gz DKVUTULDVAIXMK-UHFFFAOYSA-N 1 0 301.455 4.247 20 30 DIEDRO CC(C)([NH2+]C/C=C/c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC001308461624 1066003244 /nfs/dbraw/zinc/00/32/44/1066003244.db2.gz ANZWCVKDGALVCI-GQCTYLIASA-N 1 0 312.363 4.375 20 30 DIEDRO CC(C)([NH2+]Cc1cnc(-c2ccco2)s1)c1cccc(C#N)c1 ZINC001308462399 1066004587 /nfs/dbraw/zinc/00/45/87/1066004587.db2.gz KRXFKGUWLUPVON-UHFFFAOYSA-N 1 0 323.421 4.300 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1Br ZINC001308464162 1066005418 /nfs/dbraw/zinc/00/54/18/1066005418.db2.gz QDPBNIIQIOGOPC-GXTWGEPZSA-N 1 0 309.251 4.069 20 30 DIEDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCc1ccc(C#N)cc1 ZINC001308464882 1066005764 /nfs/dbraw/zinc/00/57/64/1066005764.db2.gz YVCIPJKGUGSCRP-QINSGFPZSA-N 1 0 310.828 4.447 20 30 DIEDRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCc1ccc(C#N)cc1 ZINC001308464879 1066006978 /nfs/dbraw/zinc/00/69/78/1066006978.db2.gz YVCIPJKGUGSCRP-NTCAYCPXSA-N 1 0 310.828 4.447 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)cs1 ZINC001308482381 1066020410 /nfs/dbraw/zinc/02/04/10/1066020410.db2.gz MAQLCZKSTTZCDM-MRXNPFEDSA-N 1 0 302.830 4.440 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001308494879 1066025641 /nfs/dbraw/zinc/02/56/41/1066025641.db2.gz VFZJUHAWNVRWJA-CEWLAPEOSA-N 1 0 312.501 4.376 20 30 DIEDRO C#CC1([NH2+]Cc2cccc(OCc3ccccc3F)c2)CCCC1 ZINC001308499291 1066028754 /nfs/dbraw/zinc/02/87/54/1066028754.db2.gz BZAQTFPLMRXTGF-UHFFFAOYSA-N 1 0 323.411 4.440 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001308500483 1066030354 /nfs/dbraw/zinc/03/03/54/1066030354.db2.gz CLWOFPCIDUHLLM-HNNXBMFYSA-N 1 0 305.805 4.017 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001308501636 1066030706 /nfs/dbraw/zinc/03/07/06/1066030706.db2.gz PLCHQOFNUVSRJV-LJQANCHMSA-N 1 0 315.844 4.424 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001308504072 1066031811 /nfs/dbraw/zinc/03/18/11/1066031811.db2.gz YVLTYMRSZWTSJX-WQVCFCJDSA-N 1 0 313.363 4.073 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001308504070 1066032059 /nfs/dbraw/zinc/03/20/59/1066032059.db2.gz YVLTYMRSZWTSJX-KCXAZCMYSA-N 1 0 313.363 4.073 20 30 DIEDRO C=C/C=C\CC[NH2+]Cc1cc(Cl)c(OCC=C)c(OC)c1 ZINC001308505360 1066033869 /nfs/dbraw/zinc/03/38/69/1066033869.db2.gz HFDALMPAFUZHLT-SREVYHEPSA-N 1 0 307.821 4.135 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)cc1C#N ZINC001308519164 1066040285 /nfs/dbraw/zinc/04/02/85/1066040285.db2.gz DOPOUCFKKJWTOM-HUUCEWRRSA-N 1 0 306.500 4.044 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCC=CCCC2)cc(OC)c1O ZINC001308547209 1066060038 /nfs/dbraw/zinc/06/00/38/1066060038.db2.gz YOPNNGUSFYGJBC-INIZCTEOSA-N 1 0 315.457 4.355 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCC=CCCC2)cc(OC)c1O ZINC001308547211 1066060317 /nfs/dbraw/zinc/06/03/17/1066060317.db2.gz YOPNNGUSFYGJBC-MRXNPFEDSA-N 1 0 315.457 4.355 20 30 DIEDRO Cc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)ccc1C#N ZINC001308565048 1066074732 /nfs/dbraw/zinc/07/47/32/1066074732.db2.gz OYILYQBCOKEKAV-DYESRHJHSA-N 1 0 304.437 4.492 20 30 DIEDRO CCC[N@H+](Cc1cccc(F)c1C#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC001308568885 1066079149 /nfs/dbraw/zinc/07/91/49/1066079149.db2.gz FSNXOMWXNQTASU-ZWKOTPCHSA-N 1 0 318.436 4.113 20 30 DIEDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC001308579622 1066097691 /nfs/dbraw/zinc/09/76/91/1066097691.db2.gz ZNDNRBFWOBTPSH-WOJBJXKFSA-N 1 0 320.436 4.226 20 30 DIEDRO CC(C)C[N@H+](Cc1ccnn1C1CCC1)Cc1ccc(C#N)cc1 ZINC001308609936 1066116239 /nfs/dbraw/zinc/11/62/39/1066116239.db2.gz VSSHFFDXYNUDKA-UHFFFAOYSA-N 1 0 322.456 4.138 20 30 DIEDRO CC[C@H]1CCC[C@H](C[N@H+](CCOC)Cc2ccc(C#N)cc2)C1 ZINC001308615758 1066120491 /nfs/dbraw/zinc/12/04/91/1066120491.db2.gz QZMYANCEYYMJHV-PXNSSMCTSA-N 1 0 314.473 4.223 20 30 DIEDRO CC(C)C[N@H+](CCC#N)C[C@@H](C)c1cccc(Br)c1 ZINC001308649230 1066137084 /nfs/dbraw/zinc/13/70/84/1066137084.db2.gz FVBATSJJYRJGGQ-CQSZACIVSA-N 1 0 323.278 4.424 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC001308651628 1066137736 /nfs/dbraw/zinc/13/77/36/1066137736.db2.gz UEUACQOEKPMTIS-OAHLLOKOSA-N 1 0 314.429 4.100 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC001308650934 1066137895 /nfs/dbraw/zinc/13/78/95/1066137895.db2.gz UYNOVFZVRSJTSD-HUUCEWRRSA-N 1 0 305.849 4.363 20 30 DIEDRO C[C@@H](CCC#N)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC001308651627 1066138111 /nfs/dbraw/zinc/13/81/11/1066138111.db2.gz UEUACQOEKPMTIS-HNNXBMFYSA-N 1 0 314.429 4.100 20 30 DIEDRO C#Cc1cccc(N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001308668326 1066146142 /nfs/dbraw/zinc/14/61/42/1066146142.db2.gz DJPBWPXJVWUEMT-LAUBAEHRSA-N 1 0 304.437 4.133 20 30 DIEDRO C=CC[N@@H+](Cc1ccnc2c(Br)cccc12)C1CC1 ZINC001308673967 1066149758 /nfs/dbraw/zinc/14/97/58/1066149758.db2.gz HLIQZHRDXZEEFX-UHFFFAOYSA-N 1 0 317.230 4.148 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001308677805 1066151802 /nfs/dbraw/zinc/15/18/02/1066151802.db2.gz RVJJCBOWOUNHAK-LBPRGKRZSA-N 1 0 303.393 4.145 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC001308695592 1066184895 /nfs/dbraw/zinc/18/48/95/1066184895.db2.gz NENBOBJARKAZCJ-QUCCMNQESA-N 1 0 300.490 4.160 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC001308702891 1066188387 /nfs/dbraw/zinc/18/83/87/1066188387.db2.gz DCEYXXOWQWHGAO-LBPRGKRZSA-N 1 0 314.242 4.465 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001308703109 1066188526 /nfs/dbraw/zinc/18/85/26/1066188526.db2.gz GQXBHOHENYLGHG-HNAYVOBHSA-N 1 0 315.436 4.373 20 30 DIEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC001308728747 1066204842 /nfs/dbraw/zinc/20/48/42/1066204842.db2.gz SVRIVQARRVYCGH-DOTOQJQBSA-N 1 0 302.849 4.335 20 30 DIEDRO N#CCC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC001308728749 1066205409 /nfs/dbraw/zinc/20/54/09/1066205409.db2.gz SVRIVQARRVYCGH-RDJZCZTQSA-N 1 0 302.849 4.335 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1F ZINC001308736922 1066212176 /nfs/dbraw/zinc/21/21/76/1066212176.db2.gz AYMRYFPLYLDWEH-QAPCUYQASA-N 1 0 312.363 4.262 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]Cc1cc(C)nc(N2CCCC2)c1 ZINC001308743655 1066218785 /nfs/dbraw/zinc/21/87/85/1066218785.db2.gz LAMNYILJFBOKSY-INIZCTEOSA-N 1 0 301.478 4.215 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC001308743540 1066219255 /nfs/dbraw/zinc/21/92/55/1066219255.db2.gz XDBMQNWCACFERK-VIFPVBQESA-N 1 0 320.305 4.402 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1sc(N(C)C)nc1Cl ZINC001308752530 1066224994 /nfs/dbraw/zinc/22/49/94/1066224994.db2.gz ACHBRIPXJJSKAY-UHFFFAOYSA-N 1 0 301.887 4.089 20 30 DIEDRO C=C(C)C[N@H+](C/C=C\c1cccc(F)c1)Cc1ccc(CO)o1 ZINC001308757075 1066232230 /nfs/dbraw/zinc/23/22/30/1066232230.db2.gz APWYCNODNBVMPS-XQRVVYSFSA-N 1 0 315.388 4.003 20 30 DIEDRO C#Cc1ccc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001308763280 1066236891 /nfs/dbraw/zinc/23/68/91/1066236891.db2.gz NJDOOLQTLZENIE-UHFFFAOYSA-N 1 0 315.338 4.286 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](O)c1cc(Cl)ccc1OC ZINC001308764838 1066237711 /nfs/dbraw/zinc/23/77/11/1066237711.db2.gz DKSSBUTXRLHNTR-ZBFHGGJFSA-N 1 0 311.853 4.107 20 30 DIEDRO Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@H](C)CCC#N)CC1 ZINC001308762903 1066237799 /nfs/dbraw/zinc/23/77/99/1066237799.db2.gz VCIUPRRRMKXQJG-OAHLLOKOSA-N 1 0 319.880 4.100 20 30 DIEDRO C=CCC1(C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CCCC1 ZINC001308763829 1066238622 /nfs/dbraw/zinc/23/86/22/1066238622.db2.gz ZKJPCLWGXXKILS-MRXNPFEDSA-N 1 0 317.473 4.448 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001308769673 1066242220 /nfs/dbraw/zinc/24/22/20/1066242220.db2.gz JMOYKJCZWOZQGV-BRWVUGGUSA-N 1 0 305.487 4.127 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)cc1 ZINC001308775359 1066247085 /nfs/dbraw/zinc/24/70/85/1066247085.db2.gz AWHGADQTAGEMDR-JCGIZDLHSA-N 1 0 311.450 4.042 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001308780217 1066252221 /nfs/dbraw/zinc/25/22/21/1066252221.db2.gz WEFXAOZJVOWASK-GDBMZVCRSA-N 1 0 301.409 4.407 20 30 DIEDRO C#C[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC001308787346 1066261942 /nfs/dbraw/zinc/26/19/42/1066261942.db2.gz RUFPNQUHBKRXGC-JXCVUKRWSA-N 1 0 301.311 4.081 20 30 DIEDRO CCOc1ccc(C[C@@H](C)C[NH2+][C@H](C)CC(C)(C)C#N)cc1 ZINC001308803600 1066279066 /nfs/dbraw/zinc/27/90/66/1066279066.db2.gz OUSOLYYHMSGHMR-HZPDHXFCSA-N 1 0 302.462 4.182 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001308804887 1066281962 /nfs/dbraw/zinc/28/19/62/1066281962.db2.gz XUHBPFKZFDZKKD-NXHRZFHOSA-N 1 0 300.446 4.104 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001308812724 1066289520 /nfs/dbraw/zinc/28/95/20/1066289520.db2.gz IYGJAAMIKRFUNG-QUCCMNQESA-N 1 0 308.400 4.465 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CC(C)(C)CC(=O)OC ZINC001308814973 1066290477 /nfs/dbraw/zinc/29/04/77/1066290477.db2.gz OGKAFTLQQIJJBE-WMZOPIPTSA-N 1 0 317.473 4.131 20 30 DIEDRO C[C@H](CCc1cncc2ccccc21)[NH2+]Cc1ccc(C#N)s1 ZINC001308823473 1066298210 /nfs/dbraw/zinc/29/82/10/1066298210.db2.gz FLQZERLTXGPBCJ-CQSZACIVSA-N 1 0 321.449 4.279 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308828629 1066305015 /nfs/dbraw/zinc/30/50/15/1066305015.db2.gz HHQMCJSJYXCNGO-ARFHVFGLSA-N 1 0 324.509 4.403 20 30 DIEDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001308849212 1066326388 /nfs/dbraw/zinc/32/63/88/1066326388.db2.gz BFRSFSMOVOIIBK-LJQANCHMSA-N 1 0 312.363 4.000 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC001308855231 1066335755 /nfs/dbraw/zinc/33/57/55/1066335755.db2.gz LVKAALIXSRKMGU-NSHDSACASA-N 1 0 300.265 4.299 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(O)c(OCC)c2)CCCC1 ZINC001308857316 1066338790 /nfs/dbraw/zinc/33/87/90/1066338790.db2.gz KZOBJXKPMJJZPK-UHFFFAOYSA-N 1 0 303.446 4.407 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC001308877487 1066358699 /nfs/dbraw/zinc/35/86/99/1066358699.db2.gz SQAUIAKRJISMRG-AWEZNQCLSA-N 1 0 312.457 4.226 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC001308893322 1066374110 /nfs/dbraw/zinc/37/41/10/1066374110.db2.gz VURYJVPGDLEZPA-SQWYCQTGSA-N 1 0 306.247 4.032 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1COc2cccc(Br)c2C1 ZINC001308913088 1066392603 /nfs/dbraw/zinc/39/26/03/1066392603.db2.gz KGLBWHJUSUIHQV-CHWSQXEVSA-N 1 0 324.262 4.087 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)C1 ZINC001308924004 1066400988 /nfs/dbraw/zinc/40/09/88/1066400988.db2.gz DIOZDOGUCWGOMB-NEWSRXKRSA-N 1 0 312.457 4.131 20 30 DIEDRO Cc1cc(C[NH+]2CCC(c3cccc(F)c3)CC2)ccc1C#N ZINC001308928324 1066403200 /nfs/dbraw/zinc/40/32/00/1066403200.db2.gz IHNXOGWFGCDFAI-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC001308932673 1066407096 /nfs/dbraw/zinc/40/70/96/1066407096.db2.gz ZYVIYJSWUBKPOU-HNNXBMFYSA-N 1 0 317.473 4.279 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1cccc(C#N)c1 ZINC001308938819 1066408508 /nfs/dbraw/zinc/40/85/08/1066408508.db2.gz QULQFWMDIBCSPS-RRQGHBQHSA-N 1 0 300.446 4.191 20 30 DIEDRO C#CCC1([NH2+]CCSc2ccc(OC)cc2)CCCCC1 ZINC001308950322 1066414920 /nfs/dbraw/zinc/41/49/20/1066414920.db2.gz NFNYUPQMVASOGV-UHFFFAOYSA-N 1 0 303.471 4.103 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C2CCC2)cc1 ZINC001308965158 1066422957 /nfs/dbraw/zinc/42/29/57/1066422957.db2.gz LGYAKFDFZRDJMW-KDOFPFPSSA-N 1 0 300.446 4.454 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308969484 1066424945 /nfs/dbraw/zinc/42/49/45/1066424945.db2.gz SVKKRHLCMPAMQQ-SJORKVTESA-N 1 0 324.509 4.310 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](Cc1ccccc1)c1ccccn1 ZINC001308982217 1066431133 /nfs/dbraw/zinc/43/11/33/1066431133.db2.gz ARPAAYPUZKGRHR-IEBWSBKVSA-N 1 0 321.468 4.326 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001308981013 1066431502 /nfs/dbraw/zinc/43/15/02/1066431502.db2.gz FEHBDOQZGQOYRX-DLBZAZTESA-N 1 0 324.509 4.358 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000280734913 334969908 /nfs/dbraw/zinc/96/99/08/334969908.db2.gz HHTIPDDUYNZPIQ-YUELXQCFSA-N 1 0 308.491 4.207 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000280968896 334974381 /nfs/dbraw/zinc/97/43/81/334974381.db2.gz ZXYAXBMNGVWJEU-QEJZJMRPSA-N 1 0 322.518 4.381 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000442668721 335001654 /nfs/dbraw/zinc/00/16/54/335001654.db2.gz FHBSHQCTRJMJDF-OAHLLOKOSA-N 1 0 300.471 4.371 20 30 DIEDRO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(CCC#N)CC2)n1 ZINC000563808420 335023794 /nfs/dbraw/zinc/02/37/94/335023794.db2.gz SVFJNHUEMLAZQX-HNNXBMFYSA-N 1 0 324.428 4.122 20 30 DIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCCN1CC1(C#N)CC1 ZINC000343306477 335026526 /nfs/dbraw/zinc/02/65/26/335026526.db2.gz VHVGOCWLORQJJJ-QGZVFWFLSA-N 1 0 308.429 4.058 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccco1 ZINC000285839818 335029878 /nfs/dbraw/zinc/02/98/78/335029878.db2.gz XIUYAQADLRUUGL-SFHVURJKSA-N 1 0 315.413 4.102 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000192853254 335040087 /nfs/dbraw/zinc/04/00/87/335040087.db2.gz RCEZLLALRSKUNP-IBGZPJMESA-N 1 0 308.425 4.288 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442713976 335044730 /nfs/dbraw/zinc/04/47/30/335044730.db2.gz JMWLZQRGAAHANS-IVMMDQJWSA-N 1 0 321.262 4.052 20 30 DIEDRO N#Cc1csc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)n1 ZINC000564537474 335058232 /nfs/dbraw/zinc/05/82/32/335058232.db2.gz VNZFXEKCERWZLY-RCCFBDPRSA-N 1 0 323.465 4.173 20 30 DIEDRO C[N@H+](Cc1ccccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273400108 130116968 /nfs/dbraw/zinc/11/69/68/130116968.db2.gz GSNRFUKNSUSZFV-PMACEKPBSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(O)c1C ZINC000273488097 130128311 /nfs/dbraw/zinc/12/83/11/130128311.db2.gz NQUYWMNNPQIABJ-HNNXBMFYSA-N 1 0 306.409 4.221 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000273508588 130130282 /nfs/dbraw/zinc/13/02/82/130130282.db2.gz ZZGLWGXOWHLZKG-PNHOKKKMSA-N 1 0 324.399 4.268 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000286038936 131217338 /nfs/dbraw/zinc/21/73/38/131217338.db2.gz KKVXVBHNTHFKBL-LSDHHAIUSA-N 1 0 324.424 4.296 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H]1CCc2c1ccc(OC)c2F)c1ccccc1 ZINC000290156992 335069527 /nfs/dbraw/zinc/06/95/27/335069527.db2.gz DAPHYPGJDVTSPU-QZTJIDSGSA-N 1 0 309.384 4.176 20 30 DIEDRO CC(C)[NH+](CCCNc1cc(C#N)c2ccccc2n1)C(C)C ZINC000470862079 435134022 /nfs/dbraw/zinc/13/40/22/435134022.db2.gz DGCRPGSQWRWBKU-UHFFFAOYSA-N 1 0 310.445 4.027 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000570502710 332764959 /nfs/dbraw/zinc/76/49/59/332764959.db2.gz MNJZLAJTOYGRPR-AAEUAGOBSA-N 1 0 312.255 4.025 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000174243232 332850315 /nfs/dbraw/zinc/85/03/15/332850315.db2.gz SMYJLEYBOGHDES-UHFFFAOYSA-N 1 0 305.510 4.095 20 30 DIEDRO CC(C)c1ccc(O[C@H](C)C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000521305909 331520612 /nfs/dbraw/zinc/52/06/12/331520612.db2.gz CLQGXHUCGVKMBG-CQSZACIVSA-N 1 0 314.454 4.300 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1OC ZINC000521378517 331557613 /nfs/dbraw/zinc/55/76/13/331557613.db2.gz ONIQWCRZJXECPR-GOSISDBHSA-N 1 0 323.436 4.080 20 30 DIEDRO C=CCC(C)(C)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000297862208 331608659 /nfs/dbraw/zinc/60/86/59/331608659.db2.gz QLDZDSBJILPWGE-UHFFFAOYSA-N 1 0 300.446 4.132 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000556514586 331712065 /nfs/dbraw/zinc/71/20/65/331712065.db2.gz GANUQQXPAOSLQH-NHYWBVRUSA-N 1 0 309.251 4.240 20 30 DIEDRO COc1ccccc1/C=C\C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000255141488 331716115 /nfs/dbraw/zinc/71/61/15/331716115.db2.gz JERGZFFPINYQMZ-ICEKFOEVSA-N 1 0 306.409 4.343 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000556582523 331716821 /nfs/dbraw/zinc/71/68/21/331716821.db2.gz AXPCAEOCLMMVGP-IALDWUNLSA-N 1 0 320.436 4.410 20 30 DIEDRO CC(C)CCC[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000556866154 331743845 /nfs/dbraw/zinc/74/38/45/331743845.db2.gz XMGLCROSPXUFHV-QGZVFWFLSA-N 1 0 313.489 4.331 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCc1cn(-c2ccccc2)nc1C ZINC000557248235 331778636 /nfs/dbraw/zinc/77/86/36/331778636.db2.gz XRBYJDHALWDJLN-IAGOWNOFSA-N 1 0 311.473 4.304 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CC)c1nnc2n1CCCCC2 ZINC000449114287 331802288 /nfs/dbraw/zinc/80/22/88/331802288.db2.gz ZCPKHKRSKIDCFV-CVEARBPZSA-N 1 0 304.482 4.180 20 30 DIEDRO CC(C)c1ccc(O[C@H](C)C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000569148327 331830432 /nfs/dbraw/zinc/83/04/32/331830432.db2.gz PKTUEVHOFRKUCM-MRXNPFEDSA-N 1 0 302.462 4.497 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](CO)c1ccccc1Cl)c1ccco1 ZINC000558257743 331889980 /nfs/dbraw/zinc/88/99/80/331889980.db2.gz NZWXGPUJRQVASR-PBHICJAKSA-N 1 0 319.832 4.306 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c(C)c1 ZINC000558507886 331915115 /nfs/dbraw/zinc/91/51/15/331915115.db2.gz RFTAVFBSIPDNMI-OAQYLSRUSA-N 1 0 320.436 4.433 20 30 DIEDRO N#CCSCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000072517965 331930357 /nfs/dbraw/zinc/93/03/57/331930357.db2.gz VKQSEIJMZYZSKY-SFHVURJKSA-N 1 0 314.429 4.152 20 30 DIEDRO COc1ccc(CCC2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000559049072 331968219 /nfs/dbraw/zinc/96/82/19/331968219.db2.gz AMYZUOYISWOGAH-MOPGFXCFSA-N 1 0 312.457 4.032 20 30 DIEDRO COc1ccc(CCC2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000559049075 331968338 /nfs/dbraw/zinc/96/83/38/331968338.db2.gz AMYZUOYISWOGAH-OALUTQOASA-N 1 0 312.457 4.032 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000559054126 331968675 /nfs/dbraw/zinc/96/86/75/331968675.db2.gz KQMGKFFSIMFTCH-HUUCEWRRSA-N 1 0 308.853 4.478 20 30 DIEDRO C=CC[C@H](CO)C[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC000559295316 332018741 /nfs/dbraw/zinc/01/87/41/332018741.db2.gz WULCHEGXRWDSLJ-LBPRGKRZSA-N 1 0 309.862 4.137 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC000559295315 332018774 /nfs/dbraw/zinc/01/87/74/332018774.db2.gz WULCHEGXRWDSLJ-GFCCVEGCSA-N 1 0 309.862 4.137 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000130276320 332023527 /nfs/dbraw/zinc/02/35/27/332023527.db2.gz MGPVQYJOLLLDTB-LBPRGKRZSA-N 1 0 300.427 4.096 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000131088956 332028057 /nfs/dbraw/zinc/02/80/57/332028057.db2.gz AKCLYBCYKRBZHC-OAHLLOKOSA-N 1 0 324.424 4.061 20 30 DIEDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCCCC(C)(C)C#N ZINC000409447353 332031837 /nfs/dbraw/zinc/03/18/37/332031837.db2.gz QDIFZPDQLHQZDR-QAPCUYQASA-N 1 0 300.446 4.030 20 30 DIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000409868490 332061917 /nfs/dbraw/zinc/06/19/17/332061917.db2.gz VYXKKDJTTDWXRM-FSPWUOQZSA-N 1 0 324.399 4.303 20 30 DIEDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000518629632 332101539 /nfs/dbraw/zinc/10/15/39/332101539.db2.gz ORXFKCXWRGLZST-NSHDSACASA-N 1 0 324.371 4.359 20 30 DIEDRO CC(C)[C@H]([NH2+]CCOCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000569492600 332102186 /nfs/dbraw/zinc/10/21/86/332102186.db2.gz GIMPASCPGGRWFL-SFHVURJKSA-N 1 0 302.462 4.201 20 30 DIEDRO C[C@H]([N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)C1(C)CC1 ZINC000091900318 332114195 /nfs/dbraw/zinc/11/41/95/332114195.db2.gz SLEGZYOIZHGIBR-INIZCTEOSA-N 1 0 322.456 4.084 20 30 DIEDRO Cc1nc2ccc(CN(CCC#N)CC(C)(C)C)cc2s1 ZINC000426401946 332116042 /nfs/dbraw/zinc/11/60/42/332116042.db2.gz PYUIKQRPJCIPMV-UHFFFAOYSA-N 1 0 301.459 4.367 20 30 DIEDRO C=CC[N@H+](CCCC1(C#N)CCOCC1)CC1CCCCC1 ZINC000410376504 332120227 /nfs/dbraw/zinc/12/02/27/332120227.db2.gz WGYNZJMXYCKMOK-UHFFFAOYSA-N 1 0 304.478 4.155 20 30 DIEDRO C[N@H+](Cc1csc(Br)c1)CC(C)(C)CCC#N ZINC000092220255 332122383 /nfs/dbraw/zinc/12/23/83/332122383.db2.gz ONRKDLQCRBVHGI-UHFFFAOYSA-N 1 0 315.280 4.272 20 30 DIEDRO CC(C)CCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410411511 332124572 /nfs/dbraw/zinc/12/45/72/332124572.db2.gz PXVFMSNSKKMQNG-UHFFFAOYSA-N 1 0 306.494 4.235 20 30 DIEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000092660939 332129370 /nfs/dbraw/zinc/12/93/70/332129370.db2.gz XCDLCVKDDLIWKA-KRWDZBQOSA-N 1 0 300.446 4.032 20 30 DIEDRO C[C@@H](CC#N)N(C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000093090369 332133827 /nfs/dbraw/zinc/13/38/27/332133827.db2.gz SGNKNKSKRZYDNK-LBPRGKRZSA-N 1 0 311.410 4.290 20 30 DIEDRO CC(C)C1CCC([NH+]2CCN(CC(C)(C)CCC#N)CC2)CC1 ZINC000093811081 332142491 /nfs/dbraw/zinc/14/24/91/332142491.db2.gz RAJDSMLUOYRIJO-UHFFFAOYSA-N 1 0 319.537 4.149 20 30 DIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1cc(C#N)cs1 ZINC000181146373 332186599 /nfs/dbraw/zinc/18/65/99/332186599.db2.gz SDSWQDWOXMDHDQ-NSHDSACASA-N 1 0 324.371 4.359 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccccc1 ZINC000181223777 332187104 /nfs/dbraw/zinc/18/71/04/332187104.db2.gz NDKNNKILFYUFEW-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CCc2cccc(C#N)c2)cc1Cl ZINC000569606876 332199404 /nfs/dbraw/zinc/19/94/04/332199404.db2.gz ZMIHKGRIQXJTJK-CYBMUJFWSA-N 1 0 314.816 4.114 20 30 DIEDRO C[N@H+](CCc1c(F)cccc1Cl)Cc1cccc(C#N)c1 ZINC000531104171 332263170 /nfs/dbraw/zinc/26/31/70/332263170.db2.gz MPWLPUXGFWJBPA-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CCOC1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCCC1 ZINC000556233738 332267257 /nfs/dbraw/zinc/26/72/57/332267257.db2.gz QGYNHEIVIOXPNN-LJQANCHMSA-N 1 0 312.457 4.265 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000426070723 335098369 /nfs/dbraw/zinc/09/83/69/335098369.db2.gz PEMUFCREPWPMHC-MRXNPFEDSA-N 1 0 312.457 4.432 20 30 DIEDRO Cc1ccc2[nH]c(C[NH2+]C3(c4cccc(C#N)c4)CC3)cc2c1C ZINC000560071635 332308673 /nfs/dbraw/zinc/30/86/73/332308673.db2.gz QXGHPPKJYVDRPY-UHFFFAOYSA-N 1 0 315.420 4.435 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1OC ZINC000521291755 332322422 /nfs/dbraw/zinc/32/24/22/332322422.db2.gz AEOYTHOZGYRPJM-HUUCEWRRSA-N 1 0 318.461 4.115 20 30 DIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)CCC#N)cc1OC ZINC000521291753 332322467 /nfs/dbraw/zinc/32/24/67/332322467.db2.gz AEOYTHOZGYRPJM-GJZGRUSLSA-N 1 0 318.461 4.115 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cnc(C(C)(C)C)nc1 ZINC000560257614 332325410 /nfs/dbraw/zinc/32/54/10/332325410.db2.gz QJMFHDQABCLVIL-UHFFFAOYSA-N 1 0 309.457 4.005 20 30 DIEDRO COc1ccc(C[NH2+]CCCCC#N)cc1OCc1ccccc1 ZINC000237238388 332328901 /nfs/dbraw/zinc/32/89/01/332328901.db2.gz JEUOQBGDIHEDRM-UHFFFAOYSA-N 1 0 324.424 4.058 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000152979067 332332880 /nfs/dbraw/zinc/33/28/80/332332880.db2.gz RBUFTZNECFTZTI-XJKSGUPXSA-N 1 0 322.543 4.304 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccco1 ZINC000560518606 332349586 /nfs/dbraw/zinc/34/95/86/332349586.db2.gz HMUNYEKFYWNRLH-ROUUACIJSA-N 1 0 316.420 4.319 20 30 DIEDRO C=CCC[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccco1 ZINC000560543703 332355149 /nfs/dbraw/zinc/35/51/49/332355149.db2.gz BIIFZKLRUWDFPK-AWEZNQCLSA-N 1 0 306.793 4.004 20 30 DIEDRO C[C@H]([NH2+]C1CCC(O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000560551284 332357986 /nfs/dbraw/zinc/35/79/86/332357986.db2.gz YMJUHBGIZFYNGH-VUZGARFFSA-N 1 0 320.436 4.179 20 30 DIEDRO N#CCCCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000120085190 332382529 /nfs/dbraw/zinc/38/25/29/332382529.db2.gz FKDIYGCECBVIQP-UHFFFAOYSA-N 1 0 317.820 4.354 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000237718298 332386364 /nfs/dbraw/zinc/38/63/64/332386364.db2.gz IXHSBRCVYYMRES-FQEVSTJZSA-N 1 0 324.399 4.285 20 30 DIEDRO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCC(C)(C)C#N)c1 ZINC000583399642 332387384 /nfs/dbraw/zinc/38/73/84/332387384.db2.gz ZRBXMYNTNZXWCN-ROUUACIJSA-N 1 0 300.446 4.215 20 30 DIEDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CCC(C)(C)C#N)c1 ZINC000583399641 332387396 /nfs/dbraw/zinc/38/73/96/332387396.db2.gz ZRBXMYNTNZXWCN-QZTJIDSGSA-N 1 0 300.446 4.215 20 30 DIEDRO N#CCCCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000237816760 332391652 /nfs/dbraw/zinc/39/16/52/332391652.db2.gz JAKFSZNJJLUKNY-UHFFFAOYSA-N 1 0 322.456 4.009 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2c(C)noc2C)cc1 ZINC000153979161 332422962 /nfs/dbraw/zinc/42/29/62/332422962.db2.gz YXVLBBJNSUZTFC-GFCCVEGCSA-N 1 0 320.820 4.274 20 30 DIEDRO N#Cc1csc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000561310709 332435958 /nfs/dbraw/zinc/43/59/58/332435958.db2.gz LYQRZILFMXYCOC-UHFFFAOYSA-N 1 0 322.355 4.417 20 30 DIEDRO C=CCC1(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CCCC1 ZINC000449605472 332443524 /nfs/dbraw/zinc/44/35/24/332443524.db2.gz NKLKZLNLERLQNV-UHFFFAOYSA-N 1 0 320.521 4.140 20 30 DIEDRO COc1cc(OC)c([C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1Cl ZINC000562038289 332535510 /nfs/dbraw/zinc/53/55/10/332535510.db2.gz VVTKCKAPTPQSPO-GFCCVEGCSA-N 1 0 324.852 4.338 20 30 DIEDRO CCOc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)ccc1OC ZINC000130519912 332539787 /nfs/dbraw/zinc/53/97/87/332539787.db2.gz SKWWJNYPBOYAFS-SFHVURJKSA-N 1 0 324.424 4.229 20 30 DIEDRO CC(C)C[NH+]1CCC(Nc2cccc(C(F)F)c2C#N)CC1 ZINC000562114937 332549332 /nfs/dbraw/zinc/54/93/32/332549332.db2.gz ILUCQFIEUMZAHO-UHFFFAOYSA-N 1 0 307.388 4.028 20 30 DIEDRO N#CCC1(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000562206018 332559702 /nfs/dbraw/zinc/55/97/02/332559702.db2.gz ULAOJKIVFRUSHP-UHFFFAOYSA-N 1 0 318.464 4.371 20 30 DIEDRO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC(C)(C#N)CC1 ZINC000562912580 332640514 /nfs/dbraw/zinc/64/05/14/332640514.db2.gz VMVQAIZZRYVKJW-KAMYIIQDSA-N 1 0 320.383 4.317 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cscn1 ZINC000565246464 332691308 /nfs/dbraw/zinc/69/13/08/332691308.db2.gz NLZABCMQMYWZBA-NXVRBGIVSA-N 1 0 311.454 4.198 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccco1 ZINC000569948982 332695906 /nfs/dbraw/zinc/69/59/06/332695906.db2.gz BWPNFNCMACOHLM-ZWKOTPCHSA-N 1 0 316.420 4.319 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1ccc(C#N)cc1 ZINC000152461806 332700770 /nfs/dbraw/zinc/70/07/70/332700770.db2.gz TYSGVTZCOKWNQD-UHFFFAOYSA-N 1 0 305.425 4.075 20 30 DIEDRO Cc1c(C[NH2+]Cc2ccc(C#N)s2)oc2ccc(F)cc12 ZINC000176955841 333003267 /nfs/dbraw/zinc/00/32/67/333003267.db2.gz CNYFSQNQKHIXIL-UHFFFAOYSA-N 1 0 300.358 4.103 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000178675553 333018517 /nfs/dbraw/zinc/01/85/17/333018517.db2.gz CGHNITOFXKNICF-NRFANRHFSA-N 1 0 312.501 4.028 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)c1 ZINC000179666309 333025827 /nfs/dbraw/zinc/02/58/27/333025827.db2.gz DIPCWTTUTGZKSA-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768780 333054339 /nfs/dbraw/zinc/05/43/39/333054339.db2.gz RDDNDSDVXNFUFX-INIZCTEOSA-N 1 0 324.424 4.229 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000172620582 333065544 /nfs/dbraw/zinc/06/55/44/333065544.db2.gz GBIWWMJIEMDOEP-SFHVURJKSA-N 1 0 316.351 4.108 20 30 DIEDRO COc1ccccc1SC[C@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000174347494 333085193 /nfs/dbraw/zinc/08/51/93/333085193.db2.gz AODODQOKLFKBOA-OAHLLOKOSA-N 1 0 320.502 4.343 20 30 DIEDRO C[C@H](NC(C)(C)C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000174390026 333085657 /nfs/dbraw/zinc/08/56/57/333085657.db2.gz ONRGCESUMDNTIT-INIZCTEOSA-N 1 0 301.478 4.035 20 30 DIEDRO C[C@@H](NC(C)(C)C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000174390042 333085662 /nfs/dbraw/zinc/08/56/62/333085662.db2.gz ONRGCESUMDNTIT-MRXNPFEDSA-N 1 0 301.478 4.035 20 30 DIEDRO N#CCCCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175855541 333105677 /nfs/dbraw/zinc/10/56/77/333105677.db2.gz YKMKKZFSSGVAEM-JKSUJKDBSA-N 1 0 306.475 4.110 20 30 DIEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000582129978 333124428 /nfs/dbraw/zinc/12/44/28/333124428.db2.gz LORJKACKWTWAFC-ZIAGYGMSSA-N 1 0 313.832 4.231 20 30 DIEDRO CCc1cc(CCC[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)on1 ZINC000516656791 333141399 /nfs/dbraw/zinc/14/13/99/333141399.db2.gz OSABQRUFQYSDBS-HNNXBMFYSA-N 1 0 311.429 4.124 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000180165595 333159096 /nfs/dbraw/zinc/15/90/96/333159096.db2.gz SZDHYRXYHCCDQT-HXUWFJFHSA-N 1 0 306.409 4.138 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CCCC#N)ccc1OCCC(C)C ZINC000180361735 333161309 /nfs/dbraw/zinc/16/13/09/333161309.db2.gz UJPCPFVTQHUJRI-OAHLLOKOSA-N 1 0 304.434 4.074 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000180446979 333161788 /nfs/dbraw/zinc/16/17/88/333161788.db2.gz KFPKHGUGCODMPV-AWEZNQCLSA-N 1 0 323.396 4.247 20 30 DIEDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1C ZINC000180552602 333163224 /nfs/dbraw/zinc/16/32/24/333163224.db2.gz ZBPNJUUSICPSSF-QGZVFWFLSA-N 1 0 308.425 4.365 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(C)ccc1OC ZINC000180552418 333163232 /nfs/dbraw/zinc/16/32/32/333163232.db2.gz NUBSXAYHMMFUDD-LJQANCHMSA-N 1 0 324.424 4.147 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181191030 333168011 /nfs/dbraw/zinc/16/80/11/333168011.db2.gz QYUUCRWRPUWLSF-AEFFLSMTSA-N 1 0 300.446 4.074 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181736139 333171924 /nfs/dbraw/zinc/17/19/24/333171924.db2.gz VRSPHCWNOBNHTA-MRXNPFEDSA-N 1 0 322.408 4.005 20 30 DIEDRO C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(OCC#N)cc1 ZINC000181786573 333172278 /nfs/dbraw/zinc/17/22/78/333172278.db2.gz LHNSJDDYHBYNCG-HNNXBMFYSA-N 1 0 324.399 4.110 20 30 DIEDRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000182161710 333176507 /nfs/dbraw/zinc/17/65/07/333176507.db2.gz ZICUBORQOMLTQR-MGPUTAFESA-N 1 0 321.424 4.341 20 30 DIEDRO COc1ccccc1SC[C@@H](C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185819916 333214636 /nfs/dbraw/zinc/21/46/36/333214636.db2.gz SMKOVJCGHBHLRP-JYJNAYRXSA-N 1 0 318.486 4.095 20 30 DIEDRO C[C@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000186579517 333220473 /nfs/dbraw/zinc/22/04/73/333220473.db2.gz ZKTTVGVFEOWHBX-INIZCTEOSA-N 1 0 306.409 4.015 20 30 DIEDRO N#CCCCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189812958 333263440 /nfs/dbraw/zinc/26/34/40/333263440.db2.gz YIELBKVOONQDBJ-UHFFFAOYSA-N 1 0 321.262 4.322 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c2ccccc2n1 ZINC000320719342 335130369 /nfs/dbraw/zinc/13/03/69/335130369.db2.gz AJRJPLWSARVGOT-HNNXBMFYSA-N 1 0 301.393 4.266 20 30 DIEDRO CC[N@H+](CCOc1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593798 333267387 /nfs/dbraw/zinc/26/73/87/333267387.db2.gz JUAIIUUFMYIIPL-KRWDZBQOSA-N 1 0 308.425 4.329 20 30 DIEDRO CC[N@H+](CCOc1ccccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000497612103 333269752 /nfs/dbraw/zinc/26/97/52/333269752.db2.gz QJBSFQPGFUMXHT-MRXNPFEDSA-N 1 0 324.424 4.029 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192090588 333285268 /nfs/dbraw/zinc/28/52/68/333285268.db2.gz VTFLJLPFVZPEQL-JKSUJKDBSA-N 1 0 324.827 4.229 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C1 ZINC000193298988 333301364 /nfs/dbraw/zinc/30/13/64/333301364.db2.gz DPNWHTIKGUQCHV-MOPGFXCFSA-N 1 0 312.457 4.045 20 30 DIEDRO CCCNc1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000193358348 333302415 /nfs/dbraw/zinc/30/24/15/333302415.db2.gz UMKXJEZZBXSFAL-MRXNPFEDSA-N 1 0 323.440 4.262 20 30 DIEDRO CCO[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000193425302 333303172 /nfs/dbraw/zinc/30/31/72/333303172.db2.gz ZATZZAZVDZPZHQ-UZLBHIALSA-N 1 0 324.424 4.017 20 30 DIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000525786553 333312129 /nfs/dbraw/zinc/31/21/29/333312129.db2.gz ZBLAKWTVMIWSHJ-FQEVSTJZSA-N 1 0 323.415 4.100 20 30 DIEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000111258155 333328255 /nfs/dbraw/zinc/32/82/55/333328255.db2.gz KAPRIZZGBCITNY-MRXNPFEDSA-N 1 0 314.473 4.343 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c1 ZINC000111398403 333329386 /nfs/dbraw/zinc/32/93/86/333329386.db2.gz IXSYSHPQDXLTIC-CTNGQTDRSA-N 1 0 320.436 4.262 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2F)CC1 ZINC000161674831 333375384 /nfs/dbraw/zinc/37/53/84/333375384.db2.gz XVZJAPGUJRREPC-INIZCTEOSA-N 1 0 310.844 4.170 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000124613357 333497231 /nfs/dbraw/zinc/49/72/31/333497231.db2.gz PWDDWWSLNXQIEO-LIRRHRJNSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(C#N)cc1 ZINC000338954007 333503227 /nfs/dbraw/zinc/50/32/27/333503227.db2.gz VISIBTOYQFCOOX-MRXNPFEDSA-N 1 0 319.408 4.092 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)CC)c1ccc(C(F)(F)F)cc1 ZINC000339074426 333508184 /nfs/dbraw/zinc/50/81/84/333508184.db2.gz MFVBHTPHFKENRQ-CABCVRRESA-N 1 0 301.352 4.073 20 30 DIEDRO CCC1(c2ccc(Cl)cc2)CC[NH+](CCOCCC#N)CC1 ZINC000339140716 333509109 /nfs/dbraw/zinc/50/91/09/333509109.db2.gz MNQJVHFLENFHNN-UHFFFAOYSA-N 1 0 320.864 4.014 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@H](C)CCC#N)ccc1OC1CCCC1 ZINC000411444570 333673384 /nfs/dbraw/zinc/67/33/84/333673384.db2.gz FCEOIDPDOMYPQI-HUUCEWRRSA-N 1 0 316.445 4.359 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H](C)CCC#N)ccc1OC1CCCC1 ZINC000411444569 333673617 /nfs/dbraw/zinc/67/36/17/333673617.db2.gz FCEOIDPDOMYPQI-GJZGRUSLSA-N 1 0 316.445 4.359 20 30 DIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCC2(C#N)CCCCC2)c1 ZINC000411451691 333675925 /nfs/dbraw/zinc/67/59/25/333675925.db2.gz VTVGZFARIGREPL-HNNXBMFYSA-N 1 0 313.445 4.160 20 30 DIEDRO N#CC1(CC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CCCCC1 ZINC000411465855 333677178 /nfs/dbraw/zinc/67/71/78/333677178.db2.gz YFJFFJBLNWOEDS-OALUTQOASA-N 1 0 312.457 4.218 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc(-n2cccn2)c1 ZINC000411465879 333677240 /nfs/dbraw/zinc/67/72/40/333677240.db2.gz YKYNYEVLQLSXPH-KRWDZBQOSA-N 1 0 322.456 4.387 20 30 DIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H]1OCCc2sccc21 ZINC000411754309 333706168 /nfs/dbraw/zinc/70/61/68/333706168.db2.gz DWSZMPNNLFEJTA-PBHICJAKSA-N 1 0 318.486 4.204 20 30 DIEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000414171500 333907744 /nfs/dbraw/zinc/90/77/44/333907744.db2.gz VACDZXSDQXUGMQ-GFCCVEGCSA-N 1 0 314.458 4.104 20 30 DIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000414345966 333943438 /nfs/dbraw/zinc/94/34/38/333943438.db2.gz USQSCJVHQKNXFX-DCPHZVHLSA-N 1 0 306.409 4.021 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000264585945 333958468 /nfs/dbraw/zinc/95/84/68/333958468.db2.gz XFXLZTIJRZFBJW-FQEVSTJZSA-N 1 0 324.399 4.359 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000266184389 333972099 /nfs/dbraw/zinc/97/20/99/333972099.db2.gz GTYISQWVRHAKLG-UHFFFAOYSA-N 1 0 307.850 4.369 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000266499238 333974088 /nfs/dbraw/zinc/97/40/88/333974088.db2.gz BCTWBXKKEOMDJH-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)C[C@H](c2ccccc2)C1 ZINC000414508999 334001790 /nfs/dbraw/zinc/00/17/90/334001790.db2.gz DPZNVGHWSYWBRB-NUEKZKHPSA-N 1 0 311.454 4.077 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+]Cc2nc(C#N)cs2)C[C@@H](c2ccccc2)C1 ZINC000414508988 334001838 /nfs/dbraw/zinc/00/18/38/334001838.db2.gz DPZNVGHWSYWBRB-BPUTZDHNSA-N 1 0 311.454 4.077 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)cc1OC(F)F ZINC000582140571 334005912 /nfs/dbraw/zinc/00/59/12/334005912.db2.gz YCKMKKQVCSDDSU-LLVKDONJSA-N 1 0 314.351 4.408 20 30 DIEDRO C[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000414525862 334007201 /nfs/dbraw/zinc/00/72/01/334007201.db2.gz KLHMVOZLIFIEOY-IAGOWNOFSA-N 1 0 311.454 4.173 20 30 DIEDRO COCCCC[N@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000271131112 334018961 /nfs/dbraw/zinc/01/89/61/334018961.db2.gz KDOGAWMIRQPZEK-UHFFFAOYSA-N 1 0 302.462 4.245 20 30 DIEDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000414563301 334020641 /nfs/dbraw/zinc/02/06/41/334020641.db2.gz WFMFCVFWNVBTBD-INIZCTEOSA-N 1 0 322.493 4.150 20 30 DIEDRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271523513 334024398 /nfs/dbraw/zinc/02/43/98/334024398.db2.gz VFEKUBBEOPDPSF-CVEARBPZSA-N 1 0 324.424 4.399 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000271710326 334025872 /nfs/dbraw/zinc/02/58/72/334025872.db2.gz OFVBHKFXMKKSLU-FQEVSTJZSA-N 1 0 302.421 4.342 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000437082623 334026035 /nfs/dbraw/zinc/02/60/35/334026035.db2.gz CWEPEEVMBIRGOP-YGRLFVJLSA-N 1 0 302.315 4.325 20 30 DIEDRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000271868272 334027704 /nfs/dbraw/zinc/02/77/04/334027704.db2.gz MBJHZDRBKCJFBQ-VNCLNFNDSA-N 1 0 306.409 4.186 20 30 DIEDRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000271868270 334027806 /nfs/dbraw/zinc/02/78/06/334027806.db2.gz MBJHZDRBKCJFBQ-MNNVXMFVSA-N 1 0 306.409 4.186 20 30 DIEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000271872098 334027961 /nfs/dbraw/zinc/02/79/61/334027961.db2.gz YBYISYARBDAWIK-LJQANCHMSA-N 1 0 324.472 4.390 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000271914436 334028788 /nfs/dbraw/zinc/02/87/88/334028788.db2.gz BUNGVBBEXWGNKQ-WMLDXEAASA-N 1 0 316.420 4.230 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271961533 334029193 /nfs/dbraw/zinc/02/91/93/334029193.db2.gz DOFHNNCKDPASKB-INIZCTEOSA-N 1 0 323.440 4.132 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1cccc(OCc2ccccn2)c1 ZINC000271986657 334029473 /nfs/dbraw/zinc/02/94/73/334029473.db2.gz CPSVIOAZFINDIA-MRXNPFEDSA-N 1 0 323.440 4.251 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1Oc1cccnc1 ZINC000272570912 334037459 /nfs/dbraw/zinc/03/74/59/334037459.db2.gz VZSIQLCXBROBNS-UHFFFAOYSA-N 1 0 321.424 4.308 20 30 DIEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000273338441 334045661 /nfs/dbraw/zinc/04/56/61/334045661.db2.gz VWEPZCQLRRQJIW-VIFPVBQESA-N 1 0 305.369 4.142 20 30 DIEDRO Cc1cnc([C@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)s1 ZINC000273538836 334048309 /nfs/dbraw/zinc/04/83/09/334048309.db2.gz WTNRJKRQZOGPGA-GFCCVEGCSA-N 1 0 316.474 4.105 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000277581850 334089067 /nfs/dbraw/zinc/08/90/67/334089067.db2.gz CJPJCMQQCPAESP-UHFFFAOYSA-N 1 0 300.446 4.324 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000277636490 334089613 /nfs/dbraw/zinc/08/96/13/334089613.db2.gz HEOPWJLXEGZDNK-IBGZPJMESA-N 1 0 314.473 4.078 20 30 DIEDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCCCC(C)(C)C#N)c1 ZINC000277890767 334091790 /nfs/dbraw/zinc/09/17/90/334091790.db2.gz ZWGASKVNKCZBSF-CQSZACIVSA-N 1 0 304.434 4.074 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1N1CCCC1 ZINC000278280974 334094392 /nfs/dbraw/zinc/09/43/92/334094392.db2.gz ZTGZPAGEOOZCPD-UHFFFAOYSA-N 1 0 313.489 4.439 20 30 DIEDRO COC[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000278839928 334101999 /nfs/dbraw/zinc/10/19/99/334101999.db2.gz KROISGARJIUJMJ-INIZCTEOSA-N 1 0 308.853 4.337 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccc(C#N)cc1 ZINC000278881940 334102638 /nfs/dbraw/zinc/10/26/38/334102638.db2.gz XZFVUTBWHUXXQN-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]CCCCC(C)(C)C#N)cc1OC ZINC000278934407 334104114 /nfs/dbraw/zinc/10/41/14/334104114.db2.gz XOONUTSZAGKYHX-HNNXBMFYSA-N 1 0 318.461 4.383 20 30 DIEDRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000414820006 334107504 /nfs/dbraw/zinc/10/75/04/334107504.db2.gz BHZKXZGEQPVMFC-ZDUSSCGKSA-N 1 0 322.412 4.151 20 30 DIEDRO Cc1nc2ccccc2n1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000280176870 334114621 /nfs/dbraw/zinc/11/46/21/334114621.db2.gz GPEVIUBHHCYDEM-UHFFFAOYSA-N 1 0 324.472 4.312 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000281373825 334125481 /nfs/dbraw/zinc/12/54/81/334125481.db2.gz WTXULYQIMFOXMS-RBUKOAKNSA-N 1 0 305.425 4.078 20 30 DIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000281509008 334126634 /nfs/dbraw/zinc/12/66/34/334126634.db2.gz HDERJJJYPQPLOI-RTBURBONSA-N 1 0 324.399 4.456 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000281696850 334127768 /nfs/dbraw/zinc/12/77/68/334127768.db2.gz NNBPBGAWTWKEAE-UHFFFAOYSA-N 1 0 311.473 4.096 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OCC(C)C ZINC000281878245 334129249 /nfs/dbraw/zinc/12/92/49/334129249.db2.gz FXDVBOAHXLWCBZ-YQQAZPJKSA-N 1 0 316.445 4.073 20 30 DIEDRO N#CC1(CCC[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000281942673 334129692 /nfs/dbraw/zinc/12/96/92/334129692.db2.gz IXGZCMXOFPGUPX-QGZVFWFLSA-N 1 0 318.848 4.187 20 30 DIEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281929772 334129844 /nfs/dbraw/zinc/12/98/44/334129844.db2.gz HWQRYWXLEPOROA-LJQANCHMSA-N 1 0 314.473 4.416 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cccc(OCc2ccccn2)c1 ZINC000281957301 334129918 /nfs/dbraw/zinc/12/99/18/334129918.db2.gz MOWIDRVHLBPQID-JZXOWHBKSA-N 1 0 321.424 4.003 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCCCC[C@H]2c2ccco2)CCOCC1 ZINC000281962031 334129930 /nfs/dbraw/zinc/12/99/30/334129930.db2.gz KMLVHDFSQUEDLG-KRWDZBQOSA-N 1 0 316.445 4.297 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1Cl ZINC000282023826 334130602 /nfs/dbraw/zinc/13/06/02/334130602.db2.gz PJYSKCSKBRQODD-ZDUSSCGKSA-N 1 0 324.827 4.230 20 30 DIEDRO CCC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000282114962 334131337 /nfs/dbraw/zinc/13/13/37/334131337.db2.gz XFRVBUIEBQMRDZ-GOSISDBHSA-N 1 0 300.446 4.218 20 30 DIEDRO CC(C)([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000282115147 334131344 /nfs/dbraw/zinc/13/13/44/334131344.db2.gz XHFUIRSHUOGEFS-UHFFFAOYSA-N 1 0 320.864 4.265 20 30 DIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282307806 334133382 /nfs/dbraw/zinc/13/33/82/334133382.db2.gz MVNJYBJFNCIABK-JUVOFCAFSA-N 1 0 300.446 4.107 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282307812 334133537 /nfs/dbraw/zinc/13/35/37/334133537.db2.gz MVNJYBJFNCIABK-XNIRIUNOSA-N 1 0 300.446 4.107 20 30 DIEDRO COc1cccc2cc([C@H](C)[NH2+]CC3CCC(C#N)CC3)oc21 ZINC000282514484 334135299 /nfs/dbraw/zinc/13/52/99/334135299.db2.gz ZHCWTWVETSLJRJ-NFOMZHRRSA-N 1 0 312.413 4.422 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C1 ZINC000467434875 334153998 /nfs/dbraw/zinc/15/39/98/334153998.db2.gz FZMBWHRDPPKQEE-VKITVTTRSA-N 1 0 306.812 4.397 20 30 DIEDRO N#CCC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000291128839 334176794 /nfs/dbraw/zinc/17/67/94/334176794.db2.gz GQJWPVNEVAPPHA-OALUTQOASA-N 1 0 306.409 4.404 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000291687979 334180853 /nfs/dbraw/zinc/18/08/53/334180853.db2.gz XVLJCJDLUVNLTB-STQMWFEESA-N 1 0 315.417 4.121 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1OCCc2sccc21 ZINC000292450641 334188350 /nfs/dbraw/zinc/18/83/50/334188350.db2.gz PKTDFORVNKZCAR-CJNGLKHVSA-N 1 0 306.475 4.060 20 30 DIEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827706 334193037 /nfs/dbraw/zinc/19/30/37/334193037.db2.gz ONQVFEZDTCPABT-XJKSGUPXSA-N 1 0 309.388 4.088 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC000293758813 334202026 /nfs/dbraw/zinc/20/20/26/334202026.db2.gz JSQIHPMYIORQBW-OWCLPIDISA-N 1 0 318.848 4.123 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C12CCC2 ZINC000340448016 334204515 /nfs/dbraw/zinc/20/45/15/334204515.db2.gz INENYVATBZDLLV-GUDVDZBRSA-N 1 0 312.457 4.359 20 30 DIEDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340448424 334204668 /nfs/dbraw/zinc/20/46/68/334204668.db2.gz TUCXEQBGBRNNOS-GBESFXJTSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(C#N)s1 ZINC000295058462 334216539 /nfs/dbraw/zinc/21/65/39/334216539.db2.gz GJGYMBFMNXGAIJ-AXFHLTTASA-N 1 0 302.365 4.171 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(N2CCCCC2)cc1 ZINC000295847811 334227932 /nfs/dbraw/zinc/22/79/32/334227932.db2.gz AURGLQRWXFAPNS-LNLFQRSKSA-N 1 0 311.473 4.410 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCCS2 ZINC000296504386 334234701 /nfs/dbraw/zinc/23/47/01/334234701.db2.gz PESLASBYUDAAAR-ZQIUZPCESA-N 1 0 316.470 4.294 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1OC(F)F ZINC000296579426 334235144 /nfs/dbraw/zinc/23/51/44/334235144.db2.gz UENRUPPLTZTBFN-GVXVVHGQSA-N 1 0 312.335 4.160 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000296586122 334235260 /nfs/dbraw/zinc/23/52/60/334235260.db2.gz URJNBSWCUBNVNW-HEHGZKQESA-N 1 0 304.821 4.226 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@H](C)CCC#N)ccc1OCC(C)C ZINC000299519803 334255961 /nfs/dbraw/zinc/25/59/61/334255961.db2.gz CVYABYQUVPJVHF-HUUCEWRRSA-N 1 0 304.434 4.073 20 30 DIEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000299646144 334256938 /nfs/dbraw/zinc/25/69/38/334256938.db2.gz KRIJBRCGXZVCRM-HOTGVXAUSA-N 1 0 321.424 4.282 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000111256313 334314294 /nfs/dbraw/zinc/31/42/94/334314294.db2.gz KTBXSXUPDACPPW-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCCCCOC2CCCCC2)c1 ZINC000111410465 334325088 /nfs/dbraw/zinc/32/50/88/334325088.db2.gz PBADOTUTGJXFGW-UHFFFAOYSA-N 1 0 300.446 4.167 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000303809323 334328037 /nfs/dbraw/zinc/32/80/37/334328037.db2.gz YOXMEDPHJQNQFN-NVXWUHKLSA-N 1 0 308.400 4.384 20 30 DIEDRO C[C@@H](c1cccs1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000049726763 334356895 /nfs/dbraw/zinc/35/68/95/334356895.db2.gz WJQPVPGRPHSPPN-AWEZNQCLSA-N 1 0 300.427 4.082 20 30 DIEDRO COCC1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000112352583 334384693 /nfs/dbraw/zinc/38/46/93/334384693.db2.gz RFFACJLPEAISIN-UHFFFAOYSA-N 1 0 320.436 4.084 20 30 DIEDRO CCC[C@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000341046274 334404733 /nfs/dbraw/zinc/40/47/33/334404733.db2.gz APQSMGDAPCCYQM-SFHVURJKSA-N 1 0 324.424 4.077 20 30 DIEDRO N#CCCCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000341190588 334422306 /nfs/dbraw/zinc/42/23/06/334422306.db2.gz PGZIESPMLZZFLE-HNNXBMFYSA-N 1 0 307.235 4.110 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000341484636 334446951 /nfs/dbraw/zinc/44/69/51/334446951.db2.gz IHOURGRKPJLZEM-INIZCTEOSA-N 1 0 324.262 4.009 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341682976 334469882 /nfs/dbraw/zinc/46/98/82/334469882.db2.gz KLXBRULJBXSZSJ-YJYMSZOUSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000341712401 334472856 /nfs/dbraw/zinc/47/28/56/334472856.db2.gz XASVZBAFAKXCFV-VLIAUNLRSA-N 1 0 301.393 4.158 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000341877112 334488809 /nfs/dbraw/zinc/48/88/09/334488809.db2.gz LFOFWYICVJMAPY-ONGXEEELSA-N 1 0 320.285 4.207 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1c(C)nc2ccccn21)c1ccccc1 ZINC000341935448 334494032 /nfs/dbraw/zinc/49/40/32/334494032.db2.gz ZOXMWGXDCJDFQI-GOSISDBHSA-N 1 0 305.425 4.440 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000341941928 334494754 /nfs/dbraw/zinc/49/47/54/334494754.db2.gz INOZAVBQIFWXSN-ZIFCJYIRSA-N 1 0 314.473 4.073 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000342190838 334516034 /nfs/dbraw/zinc/51/60/34/334516034.db2.gz JCNKCZFWFUZUSP-MRXNPFEDSA-N 1 0 323.362 4.236 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415582670 334615553 /nfs/dbraw/zinc/61/55/53/334615553.db2.gz POQPSTJWZSBPOS-MRXNPFEDSA-N 1 0 317.477 4.033 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cnc(C)s2)cc1 ZINC000123779841 334740634 /nfs/dbraw/zinc/74/06/34/334740634.db2.gz NPRLHPUXRGNONS-LBPRGKRZSA-N 1 0 322.861 4.434 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000417363463 334744350 /nfs/dbraw/zinc/74/43/50/334744350.db2.gz KQNFPMJBWJSAEG-SZNDQCEHSA-N 1 0 318.420 4.317 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000417366865 334748211 /nfs/dbraw/zinc/74/82/11/334748211.db2.gz NXGONFFRPCATFQ-PMACEKPBSA-N 1 0 321.399 4.211 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)ccc1C#N ZINC000443978170 338465087 /nfs/dbraw/zinc/46/50/87/338465087.db2.gz GYQQLPRGZUOGNY-GOSISDBHSA-N 1 0 324.399 4.398 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443991379 338465727 /nfs/dbraw/zinc/46/57/27/338465727.db2.gz VUEGMELIXBOAEQ-UHFFFAOYSA-N 1 0 316.404 4.318 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)ccc1C#N ZINC000444001269 338466562 /nfs/dbraw/zinc/46/65/62/338466562.db2.gz AZYNJALVPJPPCR-KRWDZBQOSA-N 1 0 318.342 4.302 20 30 DIEDRO CSc1ccc(F)cc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444003303 338466688 /nfs/dbraw/zinc/46/66/88/338466688.db2.gz SEPMORIGRLWWOS-UHFFFAOYSA-N 1 0 300.402 4.018 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCC2)C1 ZINC000425962495 334865418 /nfs/dbraw/zinc/86/54/18/334865418.db2.gz YKWVJCPUWBMONB-NVXWUHKLSA-N 1 0 302.849 4.477 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2ccc(CC)cc2)C(C)C)CC1 ZINC000563706443 334909044 /nfs/dbraw/zinc/90/90/44/334909044.db2.gz GSFZZQIJSHHZOQ-FQEVSTJZSA-N 1 0 300.490 4.186 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1OC ZINC000343674075 335187317 /nfs/dbraw/zinc/18/73/17/335187317.db2.gz AGSWSAZVHHZAFC-HNNXBMFYSA-N 1 0 324.424 4.011 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000343697305 335188703 /nfs/dbraw/zinc/18/87/03/335188703.db2.gz RWQGVOJFBWTAJJ-PZJWPPBQSA-N 1 0 320.436 4.010 20 30 DIEDRO N#CC1(CCC[NH+]2CCC3(CCCCC3)CC2)CCOCC1 ZINC000366842124 335190215 /nfs/dbraw/zinc/19/02/15/335190215.db2.gz AOZFTVXVTNDMMR-UHFFFAOYSA-N 1 0 304.478 4.133 20 30 DIEDRO C=C(C[NH2+]Cc1cnc(-c2ccccn2)s1)c1ccccc1 ZINC000343757510 335191007 /nfs/dbraw/zinc/19/10/07/335191007.db2.gz GDJHGSCPOBKOLH-UHFFFAOYSA-N 1 0 307.422 4.008 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000343764129 335191235 /nfs/dbraw/zinc/19/12/35/335191235.db2.gz WQIVENFZAHLESJ-IBGZPJMESA-N 1 0 308.425 4.392 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[C@@H](C)C1 ZINC000344436316 335253818 /nfs/dbraw/zinc/25/38/18/335253818.db2.gz NAWPPTXXXSUTSD-VQFNDLOPSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@@H]1CC([NH2+]Cc2cccc(OCCCC#N)c2)C[C@@H](C)C1 ZINC000344436314 335253823 /nfs/dbraw/zinc/25/38/23/335253823.db2.gz NAWPPTXXXSUTSD-HOTGVXAUSA-N 1 0 300.446 4.283 20 30 DIEDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000444615983 338476721 /nfs/dbraw/zinc/47/67/21/338476721.db2.gz NDFGZBFZQAHVIW-MGPUTAFESA-N 1 0 308.425 4.037 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000348215403 335562082 /nfs/dbraw/zinc/56/20/82/335562082.db2.gz MUTKPLKLSKWOCN-GOSISDBHSA-N 1 0 312.457 4.309 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(OC)c(OC)c1 ZINC000348216553 335562310 /nfs/dbraw/zinc/56/23/10/335562310.db2.gz OQEAMIVLBYQZJP-HNNXBMFYSA-N 1 0 304.434 4.074 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000348222993 335563018 /nfs/dbraw/zinc/56/30/18/335563018.db2.gz XGRMIZABZGUXBA-SJLPKXTDSA-N 1 0 300.446 4.074 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000348225536 335563293 /nfs/dbraw/zinc/56/32/93/335563293.db2.gz AWRYXMBJIHBQQV-SFHVURJKSA-N 1 0 311.404 4.230 20 30 DIEDRO COCCCC[C@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000348327558 335577722 /nfs/dbraw/zinc/57/77/22/335577722.db2.gz JJYUBLLPSNMUMZ-FQEVSTJZSA-N 1 0 308.425 4.206 20 30 DIEDRO COCCCC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000348328672 335578077 /nfs/dbraw/zinc/57/80/77/335578077.db2.gz VHOYOXWGSZOTMX-FQEVSTJZSA-N 1 0 308.425 4.206 20 30 DIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000350721149 335776070 /nfs/dbraw/zinc/77/60/70/335776070.db2.gz RWCXCQWTPGJCPG-INIZCTEOSA-N 1 0 306.409 4.163 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3(C4CC4)CC3)c2)c1 ZINC000532120866 335902240 /nfs/dbraw/zinc/90/22/40/335902240.db2.gz QXQIMWUSXBJWMS-UHFFFAOYSA-N 1 0 318.420 4.169 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000192445907 336032749 /nfs/dbraw/zinc/03/27/49/336032749.db2.gz XUFVARJADPZCGS-DAWZGUTISA-N 1 0 301.430 4.015 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000192445906 336032901 /nfs/dbraw/zinc/03/29/01/336032901.db2.gz XUFVARJADPZCGS-ABHNRTSZSA-N 1 0 301.430 4.015 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000351582566 336046918 /nfs/dbraw/zinc/04/69/18/336046918.db2.gz QNBMFUPBIJLOLO-JFIYKMOQSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332386647 336170663 /nfs/dbraw/zinc/17/06/63/336170663.db2.gz YFKMUURLQOAMAN-AWEZNQCLSA-N 1 0 324.428 4.009 20 30 DIEDRO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCC(C)(C)CC1 ZINC000332709237 336179694 /nfs/dbraw/zinc/17/96/94/336179694.db2.gz XTWMAIKIIVPFLN-UHFFFAOYSA-N 1 0 324.428 4.009 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000352249917 336206813 /nfs/dbraw/zinc/20/68/13/336206813.db2.gz ANYSXEWLEDXXHB-SFHVURJKSA-N 1 0 324.424 4.125 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](Cc2cc(C)no2)C(C)(C)C)cc1 ZINC000532398876 336244818 /nfs/dbraw/zinc/24/48/18/336244818.db2.gz YHGZUUMJQJYVHZ-UHFFFAOYSA-N 1 0 314.429 4.349 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000532623485 336257656 /nfs/dbraw/zinc/25/76/56/336257656.db2.gz CLDDZEASUXBUHQ-LJQANCHMSA-N 1 0 305.425 4.220 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1ccc(C#N)cc1 ZINC000192754401 336260532 /nfs/dbraw/zinc/26/05/32/336260532.db2.gz KRMZDIKTZIMWEV-HRAATJIYSA-N 1 0 313.404 4.393 20 30 DIEDRO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000532718599 336268238 /nfs/dbraw/zinc/26/82/38/336268238.db2.gz WDMOYNCPGRPVRQ-SFHVURJKSA-N 1 0 324.472 4.430 20 30 DIEDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccco2)cc1C#N ZINC000532745196 336269150 /nfs/dbraw/zinc/26/91/50/336269150.db2.gz IHAIMCZWTPYQGK-KRWDZBQOSA-N 1 0 310.397 4.277 20 30 DIEDRO Cc1ccccc1[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941918 336275325 /nfs/dbraw/zinc/27/53/25/336275325.db2.gz YNMMWJITYOVWHN-OXJNMPFZSA-N 1 0 306.409 4.001 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000192988730 336286575 /nfs/dbraw/zinc/28/65/75/336286575.db2.gz USVSSVCNUYAUNQ-VLIAUNLRSA-N 1 0 306.409 4.369 20 30 DIEDRO N#Cc1c(F)cccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000301073116 336288486 /nfs/dbraw/zinc/28/84/86/336288486.db2.gz NIIMFYZHUANCNJ-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc(C#N)cc1F ZINC000301143859 336292096 /nfs/dbraw/zinc/29/20/96/336292096.db2.gz KARDSZXLAYWSIZ-UHFFFAOYSA-N 1 0 311.404 4.150 20 30 DIEDRO N#Cc1ccc(NCc2ccc(N3CCCCCC3)nc2)c(F)c1 ZINC000301168602 336292990 /nfs/dbraw/zinc/29/29/90/336292990.db2.gz WIBOPSXFODVAIE-UHFFFAOYSA-N 1 0 324.403 4.085 20 30 DIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000301323075 336300504 /nfs/dbraw/zinc/30/05/04/336300504.db2.gz VFXKCIBGGMJMPF-OAHLLOKOSA-N 1 0 323.415 4.335 20 30 DIEDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000301334225 336301216 /nfs/dbraw/zinc/30/12/16/336301216.db2.gz CFKIQTIVLICVBZ-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO N#Cc1cc(Cl)ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000301453270 336307755 /nfs/dbraw/zinc/30/77/55/336307755.db2.gz AZFAOWTUDZGWCA-UHFFFAOYSA-N 1 0 317.864 4.421 20 30 DIEDRO N#Cc1cc(F)ccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000301495239 336310178 /nfs/dbraw/zinc/31/01/78/336310178.db2.gz APTCGUJERINPPR-MRXNPFEDSA-N 1 0 315.417 4.008 20 30 DIEDRO CCCC[N@H+](C)CC1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301523727 336312283 /nfs/dbraw/zinc/31/22/83/336312283.db2.gz MIWJAQDVOPJIIR-UHFFFAOYSA-N 1 0 319.880 4.160 20 30 DIEDRO N#Cc1cccc(Cl)c1NC1CC[NH+](C2CCCC2)CC1 ZINC000301538192 336313315 /nfs/dbraw/zinc/31/33/15/336313315.db2.gz NDSANEOILLGCRS-UHFFFAOYSA-N 1 0 303.837 4.031 20 30 DIEDRO Cn1c(CCCNc2cc(Cl)ccc2C#N)nc2ccccc21 ZINC000301568320 336315594 /nfs/dbraw/zinc/31/55/94/336315594.db2.gz LEHLWWODMNNLKU-UHFFFAOYSA-N 1 0 324.815 4.143 20 30 DIEDRO C[NH+](C)Cc1ccc(CNc2ccc(Cl)cc2C#N)cc1F ZINC000301867321 336335147 /nfs/dbraw/zinc/33/51/47/336335147.db2.gz HOJMUIPIWKRCCI-UHFFFAOYSA-N 1 0 317.795 4.024 20 30 DIEDRO CC1CC[NH+](CCCCNc2ccc3cc(C#N)ccc3n2)CC1 ZINC000301988798 336341662 /nfs/dbraw/zinc/34/16/62/336341662.db2.gz WPCARXCLZQWAIW-UHFFFAOYSA-N 1 0 322.456 4.030 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000514142315 336375071 /nfs/dbraw/zinc/37/50/71/336375071.db2.gz QKIHZJCPPZMJPX-SCLBCKFNSA-N 1 0 314.816 4.250 20 30 DIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1sc(C)nc1C ZINC000352900871 336375350 /nfs/dbraw/zinc/37/53/50/336375350.db2.gz IYLXDFHVUWVSCR-UHFFFAOYSA-N 1 0 318.490 4.116 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)C1 ZINC000193093635 336397026 /nfs/dbraw/zinc/39/70/26/336397026.db2.gz OUGAYEQYTZOWFA-SWLSCSKDSA-N 1 0 319.246 4.110 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(OC)cc1 ZINC000353410635 336416067 /nfs/dbraw/zinc/41/60/67/336416067.db2.gz IJRRJVJRDVLMIV-WOJBJXKFSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@@H]([NH2+]CC1(c2cccc(OC)c2)CC1)c1ccc(C#N)cc1 ZINC000353567372 336425616 /nfs/dbraw/zinc/42/56/16/336425616.db2.gz NNTVPJSBKACFKT-HXUWFJFHSA-N 1 0 320.436 4.339 20 30 DIEDRO C[C@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)CC1CCOCC1 ZINC000353913083 336447653 /nfs/dbraw/zinc/44/76/53/336447653.db2.gz HCFSPCAPPIFAHB-PXNSSMCTSA-N 1 0 314.473 4.464 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1F ZINC000353916941 336448091 /nfs/dbraw/zinc/44/80/91/336448091.db2.gz SATRUGXEFRNELU-SFHVURJKSA-N 1 0 312.388 4.359 20 30 DIEDRO CC(=O)Nc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000353918577 336448208 /nfs/dbraw/zinc/44/82/08/336448208.db2.gz YRAXAGQTGKIFNE-FQEVSTJZSA-N 1 0 321.424 4.170 20 30 DIEDRO COCCCC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000355284261 336502350 /nfs/dbraw/zinc/50/23/50/336502350.db2.gz FEHVALPUAFDFQW-WDSOQIARSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@@H](c1ccccc1F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000355354661 336505378 /nfs/dbraw/zinc/50/53/78/336505378.db2.gz MBJJYVIHEKXKNW-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO C[NH+](C)Cc1ccc(NCc2ccc(C#N)cc2F)cc1Cl ZINC000355605218 336516120 /nfs/dbraw/zinc/51/61/20/336516120.db2.gz IGTIWGZXZZBQCX-UHFFFAOYSA-N 1 0 317.795 4.024 20 30 DIEDRO CC1(C)C[C@H]([NH2+]CCCC#N)c2cc(Br)ccc21 ZINC000358995542 336651921 /nfs/dbraw/zinc/65/19/21/336651921.db2.gz ZPJPDVCZHADXBA-AWEZNQCLSA-N 1 0 307.235 4.065 20 30 DIEDRO Cc1nc(C)c(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000360656564 336717811 /nfs/dbraw/zinc/71/78/11/336717811.db2.gz IWHOTSAQMSKNAF-KRWDZBQOSA-N 1 0 311.454 4.189 20 30 DIEDRO Cc1csc([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000360838347 336723816 /nfs/dbraw/zinc/72/38/16/336723816.db2.gz BZUOYWGNWKLQNS-GUYCJALGSA-N 1 0 311.454 4.442 20 30 DIEDRO COCC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccco1 ZINC000360870700 336724940 /nfs/dbraw/zinc/72/49/40/336724940.db2.gz IBWSJMSKUBHEGA-RTBURBONSA-N 1 0 324.424 4.286 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cncc(F)c1 ZINC000360873538 336725072 /nfs/dbraw/zinc/72/50/72/336725072.db2.gz QSTCQCOVJICLLO-DJJJIMSYSA-N 1 0 309.388 4.211 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1nccs1 ZINC000360883700 336725621 /nfs/dbraw/zinc/72/56/21/336725621.db2.gz LADVMOPIORKOIO-DYVFJYSZSA-N 1 0 311.454 4.176 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)o1 ZINC000367681788 336827869 /nfs/dbraw/zinc/82/78/69/336827869.db2.gz FCZMWKXUSJJQAE-GOSISDBHSA-N 1 0 316.351 4.213 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000389753968 336890364 /nfs/dbraw/zinc/89/03/64/336890364.db2.gz QQTIEKHJGKFKLO-UHFFFAOYSA-N 1 0 319.880 4.182 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418150083 336898101 /nfs/dbraw/zinc/89/81/01/336898101.db2.gz VWKRGQKWEOJGEA-NRFANRHFSA-N 1 0 318.420 4.290 20 30 DIEDRO CCOc1ccc(Cl)cc1CC[NH2+]CC(C)(C)CCC#N ZINC000120487048 336912808 /nfs/dbraw/zinc/91/28/08/336912808.db2.gz VWWDGNJQFMMEBQ-UHFFFAOYSA-N 1 0 308.853 4.201 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000374148542 336982449 /nfs/dbraw/zinc/98/24/49/336982449.db2.gz LULZTKGWXVEAKH-UHFFFAOYSA-N 1 0 323.415 4.307 20 30 DIEDRO C[C@H]([NH2+]Cc1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374695670 336995126 /nfs/dbraw/zinc/99/51/26/336995126.db2.gz UMPXLDGHWYLQQT-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO N#CCSCCC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000375631655 337015099 /nfs/dbraw/zinc/01/50/99/337015099.db2.gz QNVORJVWPGSWQF-QGZVFWFLSA-N 1 0 324.440 4.195 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)cc1 ZINC000376178175 337029057 /nfs/dbraw/zinc/02/90/57/337029057.db2.gz OJYCFSKEFNKVQW-HRAATJIYSA-N 1 0 320.436 4.377 20 30 DIEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1CC(C)(C)CCC#N ZINC000377866054 337062941 /nfs/dbraw/zinc/06/29/41/337062941.db2.gz VXLHOMZWLQRSBO-INIZCTEOSA-N 1 0 302.466 4.274 20 30 DIEDRO COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCCCC#N)cc1F ZINC000378169663 337067677 /nfs/dbraw/zinc/06/76/77/337067677.db2.gz PTSSBOZIVACLHZ-NVXWUHKLSA-N 1 0 304.409 4.144 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1cc(Br)cs1 ZINC000194091275 337081662 /nfs/dbraw/zinc/08/16/62/337081662.db2.gz ZHLOUMDXANYFJR-SECBINFHSA-N 1 0 306.294 4.080 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(-c2ccncc2)cc1 ZINC000173571297 337136525 /nfs/dbraw/zinc/13/65/25/337136525.db2.gz ORIBDTYRXMXXBZ-CQSZACIVSA-N 1 0 303.365 4.064 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177858769 337157565 /nfs/dbraw/zinc/15/75/65/337157565.db2.gz IZRSNQTUSBATQH-SFHVURJKSA-N 1 0 314.473 4.016 20 30 DIEDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCO2 ZINC000178177006 337161184 /nfs/dbraw/zinc/16/11/84/337161184.db2.gz QKQCPPVUTUGFCV-IFXJQAMLSA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccc(C#N)cc1 ZINC000178554242 337163576 /nfs/dbraw/zinc/16/35/76/337163576.db2.gz KGBULNBBKGTJBE-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO Cc1c([C@@H](C)[NH2+]CCCCC#N)cnn1-c1cccc(Cl)c1 ZINC000178640638 337165683 /nfs/dbraw/zinc/16/56/83/337165683.db2.gz KZGJTHGGCQYOBX-CYBMUJFWSA-N 1 0 316.836 4.179 20 30 DIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC(C)(C)C#N)cc1 ZINC000183675030 337194162 /nfs/dbraw/zinc/19/41/62/337194162.db2.gz QTRMCGSZFZAHCO-HNNXBMFYSA-N 1 0 310.445 4.161 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccsc3)CC2)c(F)c1 ZINC000186948947 337260634 /nfs/dbraw/zinc/26/06/34/337260634.db2.gz FFFWLMBGPJFGNS-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCCCn1ccnc1C)c1ccc(F)c(F)c1 ZINC000187759059 337268050 /nfs/dbraw/zinc/26/80/50/337268050.db2.gz RBYIDCBMHOBINA-SFHVURJKSA-N 1 0 319.399 4.157 20 30 DIEDRO Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cn2)c1 ZINC000583242275 337285695 /nfs/dbraw/zinc/28/56/95/337285695.db2.gz YNQMCLJVNWECOW-AEFFLSMTSA-N 1 0 321.424 4.273 20 30 DIEDRO Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cn2)c1 ZINC000583242276 337285785 /nfs/dbraw/zinc/28/57/85/337285785.db2.gz YNQMCLJVNWECOW-FUHWJXTLSA-N 1 0 321.424 4.273 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583266761 337296372 /nfs/dbraw/zinc/29/63/72/337296372.db2.gz VWTVGYLJKLGZEC-KDOFPFPSSA-N 1 0 321.380 4.050 20 30 DIEDRO Cn1cc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)cc1C#N ZINC000191467817 337297282 /nfs/dbraw/zinc/29/72/82/337297282.db2.gz ORVLFEQLZGEZPC-FQEVSTJZSA-N 1 0 307.441 4.308 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(c3ccc(F)cc3F)CCC1)CC2 ZINC000583782536 337332657 /nfs/dbraw/zinc/33/26/57/337332657.db2.gz OWLGEFBXQWTWAP-LJQANCHMSA-N 1 0 324.374 4.493 20 30 DIEDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000583839258 337340759 /nfs/dbraw/zinc/34/07/59/337340759.db2.gz ASWYLNMJXLDQAC-FQEVSTJZSA-N 1 0 323.440 4.347 20 30 DIEDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000584501595 337350535 /nfs/dbraw/zinc/35/05/35/337350535.db2.gz KJLOBLFSZFVQLN-NSHDSACASA-N 1 0 324.268 4.398 20 30 DIEDRO COc1cc(C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)ccc1C#N ZINC000583901445 337384839 /nfs/dbraw/zinc/38/48/39/337384839.db2.gz CNKPUYPCWXASKP-KSSFIOAISA-N 1 0 306.409 4.213 20 30 DIEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903759 337396152 /nfs/dbraw/zinc/39/61/52/337396152.db2.gz CZFUPAPNCBDTNI-DOTOQJQBSA-N 1 0 324.428 4.009 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000421347511 337527825 /nfs/dbraw/zinc/52/78/25/337527825.db2.gz COBZZSCMJGSRDY-CABCVRRESA-N 1 0 311.454 4.139 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000248915425 337568539 /nfs/dbraw/zinc/56/85/39/337568539.db2.gz WAXULRVSLVJHEH-HACGYAERSA-N 1 0 320.383 4.337 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)c2ncccc2C)cc1 ZINC000571904062 337581705 /nfs/dbraw/zinc/58/17/05/337581705.db2.gz PANNDXHAGUACQX-UHFFFAOYSA-N 1 0 310.441 4.022 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C)c(C)n2)cc1 ZINC000263199710 337625303 /nfs/dbraw/zinc/62/53/03/337625303.db2.gz XBUXGXIHUTWUBL-ZDUSSCGKSA-N 1 0 310.445 4.139 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000271458324 337644173 /nfs/dbraw/zinc/64/41/73/337644173.db2.gz HCAJNQXHRIAVJN-OAHLLOKOSA-N 1 0 301.459 4.082 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000271458323 337644265 /nfs/dbraw/zinc/64/42/65/337644265.db2.gz HCAJNQXHRIAVJN-HNNXBMFYSA-N 1 0 301.459 4.082 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000271508262 337644726 /nfs/dbraw/zinc/64/47/26/337644726.db2.gz MYKCFFUOVOYCHX-IJEWVQPXSA-N 1 0 309.837 4.036 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1c(C)nn(C(C)(C)C)c1C)c1ccccc1 ZINC000271765009 337645430 /nfs/dbraw/zinc/64/54/30/337645430.db2.gz ABAYPBUFOZHSFF-IBGZPJMESA-N 1 0 309.457 4.109 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000273507201 337655455 /nfs/dbraw/zinc/65/54/55/337655455.db2.gz REIDNCMYTFFOHX-ABSDTBQOSA-N 1 0 317.473 4.256 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C(C)C)c(F)c1 ZINC000421862436 337656103 /nfs/dbraw/zinc/65/61/03/337656103.db2.gz WIYYYQOBBPARFE-DEYYWGMASA-N 1 0 304.409 4.203 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cc2c(s1)CCCC2 ZINC000421866233 337656709 /nfs/dbraw/zinc/65/67/09/337656709.db2.gz BACRIGKXHKCQJM-LLVKDONJSA-N 1 0 302.468 4.411 20 30 DIEDRO COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421896856 337659597 /nfs/dbraw/zinc/65/95/97/337659597.db2.gz ZXGRVSIXICELTO-JTQLQIEISA-N 1 0 306.818 4.133 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000423340639 337712804 /nfs/dbraw/zinc/71/28/04/337712804.db2.gz BZFSSYBNIGXAHQ-BLVKFPJESA-N 1 0 309.388 4.008 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423428215 337717160 /nfs/dbraw/zinc/71/71/60/337717160.db2.gz GFSHXIGRIJYOOO-UGSOOPFHSA-N 1 0 321.424 4.093 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)C1CC1 ZINC000423450851 337720010 /nfs/dbraw/zinc/72/00/10/337720010.db2.gz XPQNPZZDAWHKMY-DLBZAZTESA-N 1 0 300.446 4.205 20 30 DIEDRO C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc(C#N)cc1 ZINC000527941826 337773489 /nfs/dbraw/zinc/77/34/89/337773489.db2.gz IIISTMMZAUMKJF-YWCBWXAZSA-N 1 0 308.812 4.201 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)CC2 ZINC000527962522 337780472 /nfs/dbraw/zinc/78/04/72/337780472.db2.gz FYHOFPTWDVMDAF-QUCCMNQESA-N 1 0 303.409 4.072 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000424201356 337808792 /nfs/dbraw/zinc/80/87/92/337808792.db2.gz RULTXUSKYZMFSS-GXTWGEPZSA-N 1 0 316.351 4.223 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000424290879 337816152 /nfs/dbraw/zinc/81/61/52/337816152.db2.gz CIGYCPFYFAQFRW-DOXZYTNZSA-N 1 0 311.425 4.090 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000424293848 337816632 /nfs/dbraw/zinc/81/66/32/337816632.db2.gz JQDAHPCNDAMKEJ-SNRMKQJTSA-N 1 0 315.457 4.204 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000424293784 337816673 /nfs/dbraw/zinc/81/66/73/337816673.db2.gz JHJVNPSGEJJRTK-PLYYQAHHSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000424301464 337818059 /nfs/dbraw/zinc/81/80/59/337818059.db2.gz ZYJXMKNUBRIAIV-CQDKDKBSSA-N 1 0 309.862 4.058 20 30 DIEDRO CC(C)COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000106466456 337819036 /nfs/dbraw/zinc/81/90/36/337819036.db2.gz UEYYGISWPIDGAP-MRXNPFEDSA-N 1 0 308.425 4.444 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000118400120 337850440 /nfs/dbraw/zinc/85/04/40/337850440.db2.gz KGSDOMGMCWDFJR-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000119335771 337857772 /nfs/dbraw/zinc/85/77/72/337857772.db2.gz FRVAHQCVSKMWQK-UHFFFAOYSA-N 1 0 324.399 4.265 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119702574 337864382 /nfs/dbraw/zinc/86/43/82/337864382.db2.gz GDBFXRZMOPFFHN-AWEZNQCLSA-N 1 0 312.369 4.010 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000537013560 337865150 /nfs/dbraw/zinc/86/51/50/337865150.db2.gz JIQGHYKFYGEAPI-MRXNPFEDSA-N 1 0 324.262 4.083 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]CCCC(C)(C)C#N)cc1OC ZINC000537052113 337884334 /nfs/dbraw/zinc/88/43/34/337884334.db2.gz SBPUSPSYPOCHLO-OAHLLOKOSA-N 1 0 318.461 4.465 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000537053650 337884587 /nfs/dbraw/zinc/88/45/87/337884587.db2.gz YKNFEQDBZOFLFK-LSDHHAIUSA-N 1 0 300.446 4.431 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000121385599 337890961 /nfs/dbraw/zinc/89/09/61/337890961.db2.gz WVCXHRSEMNOCCM-HXUWFJFHSA-N 1 0 324.399 4.337 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000121385778 337890993 /nfs/dbraw/zinc/89/09/93/337890993.db2.gz WVCXHRSEMNOCCM-FQEVSTJZSA-N 1 0 324.399 4.337 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000121438205 337893001 /nfs/dbraw/zinc/89/30/01/337893001.db2.gz TUXDOYGMELQBCC-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091868629 337896699 /nfs/dbraw/zinc/89/66/99/337896699.db2.gz HGLVJBKOWCXOPA-UHFFFAOYSA-N 1 0 318.436 4.137 20 30 DIEDRO CSc1ccc(F)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000537292764 337928704 /nfs/dbraw/zinc/92/87/04/337928704.db2.gz NYDXNERXSYKADZ-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000537294239 337928774 /nfs/dbraw/zinc/92/87/74/337928774.db2.gz AUAHPGMNQGHHBO-CYBMUJFWSA-N 1 0 318.342 4.470 20 30 DIEDRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000537296287 337928950 /nfs/dbraw/zinc/92/89/50/337928950.db2.gz YIRKUDVIWWDMLZ-HOTGVXAUSA-N 1 0 308.425 4.411 20 30 DIEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000537308503 337930280 /nfs/dbraw/zinc/93/02/80/337930280.db2.gz XNYLVVKNUZWNRT-OAHLLOKOSA-N 1 0 308.425 4.195 20 30 DIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)ccc1OC ZINC000428457324 338052818 /nfs/dbraw/zinc/05/28/18/338052818.db2.gz WQTGNZLIAAQUKB-IAGOWNOFSA-N 1 0 301.430 4.025 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(OC2CCC2)c1)c1ccco1 ZINC000428466792 338053684 /nfs/dbraw/zinc/05/36/84/338053684.db2.gz WFVYUTNWEFJIKB-QGZVFWFLSA-N 1 0 312.413 4.403 20 30 DIEDRO Cc1ccc(CC2CC[NH+](CCCSCC#N)CC2)cc1C ZINC000428742845 338060226 /nfs/dbraw/zinc/06/02/26/338060226.db2.gz DORDOCPHCFSACR-UHFFFAOYSA-N 1 0 316.514 4.205 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1ccc(C#N)cc1 ZINC000428847577 338061968 /nfs/dbraw/zinc/06/19/68/338061968.db2.gz GQNKSABNJZYNDN-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C[N@H+](Cc1cccc(F)c1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000428977479 338067378 /nfs/dbraw/zinc/06/73/78/338067378.db2.gz IVGWTIQJIKNGDX-BETUJISGSA-N 1 0 314.326 4.250 20 30 DIEDRO Cc1cc(CC(C)(C)[NH2+]CCCCC#N)ccc1Br ZINC000429240277 338074326 /nfs/dbraw/zinc/07/43/26/338074326.db2.gz SPZXVIJXMZZMOT-UHFFFAOYSA-N 1 0 323.278 4.362 20 30 DIEDRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CCCCC#N ZINC000429270197 338075445 /nfs/dbraw/zinc/07/54/45/338075445.db2.gz FNCKTXBQKUGUFG-OAHLLOKOSA-N 1 0 321.262 4.356 20 30 DIEDRO C=CCC(C)(C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000429896733 338091637 /nfs/dbraw/zinc/09/16/37/338091637.db2.gz ITLZJERBCRGKSG-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000430047866 338094453 /nfs/dbraw/zinc/09/44/53/338094453.db2.gz ULQPZYZPTUOBHY-UHFFFAOYSA-N 1 0 302.324 4.008 20 30 DIEDRO Cc1cc(F)ccc1C1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000430084381 338095247 /nfs/dbraw/zinc/09/52/47/338095247.db2.gz KLSNURJDZGVIOO-UHFFFAOYSA-N 1 0 314.429 4.447 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430740824 338112877 /nfs/dbraw/zinc/11/28/77/338112877.db2.gz KZWMNYUKGULBCH-ZDUSSCGKSA-N 1 0 311.454 4.463 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430740823 338112950 /nfs/dbraw/zinc/11/29/50/338112950.db2.gz KZWMNYUKGULBCH-CYBMUJFWSA-N 1 0 311.454 4.463 20 30 DIEDRO CCCCOc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1OC ZINC000430747067 338113398 /nfs/dbraw/zinc/11/33/98/338113398.db2.gz KLWWDHWMDKPHRF-OAHLLOKOSA-N 1 0 316.445 4.219 20 30 DIEDRO COc1ccc([C@@H](CCC(C)C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430755331 338113869 /nfs/dbraw/zinc/11/38/69/338113869.db2.gz PQHVBNBMIPVEHU-GOSISDBHSA-N 1 0 300.446 4.456 20 30 DIEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1Br ZINC000430758385 338114019 /nfs/dbraw/zinc/11/40/19/338114019.db2.gz CLQGWKSHOOMVHA-CQSZACIVSA-N 1 0 307.235 4.184 20 30 DIEDRO N#CCCC1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000572479847 338140997 /nfs/dbraw/zinc/14/09/97/338140997.db2.gz MUIACZMQIUCFTN-UHFFFAOYSA-N 1 0 302.384 4.371 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000432500529 338157690 /nfs/dbraw/zinc/15/76/90/338157690.db2.gz IYDURBPBMJHHOA-PKOBYXMFSA-N 1 0 319.452 4.125 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000432503040 338157876 /nfs/dbraw/zinc/15/78/76/338157876.db2.gz QTUURELFMWXSSV-PKOBYXMFSA-N 1 0 319.452 4.125 20 30 DIEDRO COc1c(C)cnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1C ZINC000433008925 338175975 /nfs/dbraw/zinc/17/59/75/338175975.db2.gz FRJMHIWZZDCIHM-SFHVURJKSA-N 1 0 323.440 4.232 20 30 DIEDRO COc1ccccc1OCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433013295 338176120 /nfs/dbraw/zinc/17/61/20/338176120.db2.gz ATFFZEDMZUZFPZ-SFHVURJKSA-N 1 0 324.424 4.099 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000433012483 338176125 /nfs/dbraw/zinc/17/61/25/338176125.db2.gz TVVYCZFAJLQSLT-FQEVSTJZSA-N 1 0 308.425 4.480 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433020635 338176624 /nfs/dbraw/zinc/17/66/24/338176624.db2.gz SWAKMTYPLACLDM-LJQANCHMSA-N 1 0 319.408 4.092 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000433026065 338176976 /nfs/dbraw/zinc/17/69/76/338176976.db2.gz OAOQDOBLDTZCEW-FQEVSTJZSA-N 1 0 303.409 4.277 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433026612 338177025 /nfs/dbraw/zinc/17/70/25/338177025.db2.gz GTMUGXRAKIJPTM-LJQANCHMSA-N 1 0 319.408 4.092 20 30 DIEDRO CCCc1nc(C)c(C[NH2+][C@H](CCCC#N)c2ccccc2)o1 ZINC000433025559 338177116 /nfs/dbraw/zinc/17/71/16/338177116.db2.gz LRADAOPRRUUXJJ-QGZVFWFLSA-N 1 0 311.429 4.460 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000433035201 338177513 /nfs/dbraw/zinc/17/75/13/338177513.db2.gz WNZHQMYTDAESPJ-FQEVSTJZSA-N 1 0 320.436 4.189 20 30 DIEDRO C[N@H+](CCSCc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000433037229 338177626 /nfs/dbraw/zinc/17/76/26/338177626.db2.gz DNKMZLKLCZTRND-UHFFFAOYSA-N 1 0 314.429 4.063 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433308303 338190974 /nfs/dbraw/zinc/19/09/74/338190974.db2.gz XTJQXKASSPACEW-SFHVURJKSA-N 1 0 310.828 4.396 20 30 DIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434493413 338218268 /nfs/dbraw/zinc/21/82/68/338218268.db2.gz UCKPRWXFNLJOJV-UHFFFAOYSA-N 1 0 324.399 4.028 20 30 DIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434491740 338218292 /nfs/dbraw/zinc/21/82/92/338218292.db2.gz DGSPRPGVXLKLBS-UHFFFAOYSA-N 1 0 324.399 4.028 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434680308 338223193 /nfs/dbraw/zinc/22/31/93/338223193.db2.gz VBEBMAYSQKANAE-HNNXBMFYSA-N 1 0 303.421 4.465 20 30 DIEDRO CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000435126620 338232709 /nfs/dbraw/zinc/23/27/09/338232709.db2.gz OTGXCJJOYYCBLI-AWEZNQCLSA-N 1 0 320.396 4.124 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000435666199 338244624 /nfs/dbraw/zinc/24/46/24/338244624.db2.gz UXQCJYJDLPJYOO-XPKDYRNWSA-N 1 0 324.262 4.081 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc(C#N)cc1 ZINC000435672504 338244802 /nfs/dbraw/zinc/24/48/02/338244802.db2.gz PYNNRZMQROKHMY-SMNXXWJPSA-N 1 0 312.363 4.433 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000435731460 338246654 /nfs/dbraw/zinc/24/66/54/338246654.db2.gz LSMVBNIBWKQIHG-DOMZBBRYSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000435733947 338246772 /nfs/dbraw/zinc/24/67/72/338246772.db2.gz VUGMCPQSBOWYEQ-BEFAXECRSA-N 1 0 313.397 4.143 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000435739332 338247271 /nfs/dbraw/zinc/24/72/71/338247271.db2.gz WYTMPCGGYOIAAK-NHYWBVRUSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000435743493 338247508 /nfs/dbraw/zinc/24/75/08/338247508.db2.gz AFZWGHRUGGEWDV-PXNSSMCTSA-N 1 0 315.457 4.079 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(Cl)c1Cl ZINC000435745099 338247574 /nfs/dbraw/zinc/24/75/74/338247574.db2.gz JLQHFPWRQSJQEO-CABZTGNLSA-N 1 0 306.258 4.126 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000435749858 338247869 /nfs/dbraw/zinc/24/78/69/338247869.db2.gz LQHYXJWOZPQLTA-KUHUBIRLSA-N 1 0 315.388 4.157 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cc(Cl)ccc1OC ZINC000436294794 338266974 /nfs/dbraw/zinc/26/69/74/338266974.db2.gz HDMFMKBWXHKGMU-XCRHUMRWSA-N 1 0 323.864 4.371 20 30 DIEDRO CSc1ccc(CC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000436300229 338267452 /nfs/dbraw/zinc/26/74/52/338267452.db2.gz USPOJDVZWWOUEG-CYBMUJFWSA-N 1 0 314.429 4.313 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000436302083 338267651 /nfs/dbraw/zinc/26/76/51/338267651.db2.gz QVYMCCAKXTZREQ-VSVYTNTFSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000436302917 338267722 /nfs/dbraw/zinc/26/77/22/338267722.db2.gz ASFLVVITIPNTRK-VSVYTNTFSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1SCC ZINC000436305436 338267994 /nfs/dbraw/zinc/26/79/94/338267994.db2.gz GJPFJVBKYQHEOY-MPGHIAIKSA-N 1 0 305.487 4.430 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1F ZINC000436313428 338268732 /nfs/dbraw/zinc/26/87/32/338268732.db2.gz WYFZIFIIWHBRPG-NUTKFTJISA-N 1 0 312.363 4.433 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000437082620 338299925 /nfs/dbraw/zinc/29/99/25/338299925.db2.gz CWEPEEVMBIRGOP-HZMBPMFUSA-N 1 0 302.315 4.325 20 30 DIEDRO CCCC(CCC)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437105822 338301214 /nfs/dbraw/zinc/30/12/14/338301214.db2.gz SZMUIRUQYRBCAO-UHFFFAOYSA-N 1 0 315.461 4.202 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000437244613 338304606 /nfs/dbraw/zinc/30/46/06/338304606.db2.gz HCUCHAGTNWQZKT-AQNXPRMDSA-N 1 0 301.474 4.387 20 30 DIEDRO COc1ccc(C#N)cc1CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000437566473 338313588 /nfs/dbraw/zinc/31/35/88/338313588.db2.gz FWQIYBOGBBQOIS-RHSMWYFYSA-N 1 0 310.397 4.133 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000437790167 338321642 /nfs/dbraw/zinc/32/16/42/338321642.db2.gz XGIHPEQOVSRYKY-IAGOWNOFSA-N 1 0 320.436 4.302 20 30 DIEDRO Cc1cc(C)[nH+]c(NCc2cccn2Cc2ccccc2C#N)c1 ZINC000437792114 338321754 /nfs/dbraw/zinc/32/17/54/338321754.db2.gz JUMJMDNKHFJUDD-UHFFFAOYSA-N 1 0 316.408 4.032 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000437884677 338324160 /nfs/dbraw/zinc/32/41/60/338324160.db2.gz WZDZVCBATSSICB-INIZCTEOSA-N 1 0 312.438 4.274 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000438478102 338345332 /nfs/dbraw/zinc/34/53/32/338345332.db2.gz NOUZHCSNHBOPGZ-GOSISDBHSA-N 1 0 313.372 4.004 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)C1CC1 ZINC000439078563 338360436 /nfs/dbraw/zinc/36/04/36/338360436.db2.gz OQDGDVTUTMRABG-IBGZPJMESA-N 1 0 313.489 4.296 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)C1CC1 ZINC000439077931 338360471 /nfs/dbraw/zinc/36/04/71/338360471.db2.gz MPQPVOABKPASLX-GOSISDBHSA-N 1 0 313.420 4.154 20 30 DIEDRO COc1ccc([C@H](C)N(C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439445856 338369580 /nfs/dbraw/zinc/36/95/80/338369580.db2.gz YLWHXKUQUGAHMZ-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(OC)cc1 ZINC000439457439 338370059 /nfs/dbraw/zinc/37/00/59/338370059.db2.gz QQRPMLZACLUEHT-GOSISDBHSA-N 1 0 314.816 4.461 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(F)c1 ZINC000439458534 338370104 /nfs/dbraw/zinc/37/01/04/338370104.db2.gz DYROLJKKIJTJNA-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000439479452 338371039 /nfs/dbraw/zinc/37/10/39/338371039.db2.gz SGBOISDMLDKRIP-CQSZACIVSA-N 1 0 312.438 4.010 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)cc1 ZINC000439494297 338371829 /nfs/dbraw/zinc/37/18/29/338371829.db2.gz OPVOJHUEQQGHHQ-CQSZACIVSA-N 1 0 312.438 4.010 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544979 338389913 /nfs/dbraw/zinc/38/99/13/338389913.db2.gz BZOAGKXUOWLCDB-UWVAXJGDSA-N 1 0 318.505 4.376 20 30 DIEDRO CSc1ccccc1[C@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC000440611592 338392381 /nfs/dbraw/zinc/39/23/81/338392381.db2.gz LOPQCZRRPGDHRW-AWEZNQCLSA-N 1 0 312.438 4.010 20 30 DIEDRO CSc1ccccc1[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000440616747 338392718 /nfs/dbraw/zinc/39/27/18/338392718.db2.gz RXEJRYJBUIZIHF-AWEZNQCLSA-N 1 0 312.438 4.010 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCc3ccc(C(C)C)cc32)ccc1C#N ZINC000440622910 338392901 /nfs/dbraw/zinc/39/29/01/338392901.db2.gz FRJAWBIZNKKCGB-HXUWFJFHSA-N 1 0 320.436 4.467 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2c3ccccc3CCC[C@H]2C)ccc1C#N ZINC000440633444 338393337 /nfs/dbraw/zinc/39/33/37/338393337.db2.gz DZAFEVKIDWSWIT-VFNWGFHPSA-N 1 0 320.436 4.370 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)ccc1C#N ZINC000440641255 338393848 /nfs/dbraw/zinc/39/38/48/338393848.db2.gz VLYNOHSNOREDJG-AWEZNQCLSA-N 1 0 320.392 4.472 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)ccc1C#N ZINC000441342784 338409493 /nfs/dbraw/zinc/40/94/93/338409493.db2.gz ULDPLGXURBACRD-LPHOPBHVSA-N 1 0 324.399 4.132 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000442771863 338430145 /nfs/dbraw/zinc/43/01/45/338430145.db2.gz UPWOJCSKDIXTPO-QAPCUYQASA-N 1 0 310.466 4.355 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(OCCC(C)C)c1 ZINC000442770627 338430177 /nfs/dbraw/zinc/43/01/77/338430177.db2.gz RTRYNLLFBBTIGX-FUHWJXTLSA-N 1 0 300.446 4.202 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCCCC2)C1 ZINC000442775385 338430298 /nfs/dbraw/zinc/43/02/98/338430298.db2.gz BSGNLIRYDZOFCT-QAPCUYQASA-N 1 0 300.421 4.309 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442790502 338431537 /nfs/dbraw/zinc/43/15/37/338431537.db2.gz HAGKMEPQMMKLEV-SWLSCSKDSA-N 1 0 308.347 4.019 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000442789070 338431632 /nfs/dbraw/zinc/43/16/32/338431632.db2.gz DFEOASHHTJJCGS-NRSPTQNISA-N 1 0 304.437 4.295 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442799139 338432347 /nfs/dbraw/zinc/43/23/47/338432347.db2.gz ZNJKLERNFSLKNR-CZUORRHYSA-N 1 0 322.374 4.409 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC000442870267 338436700 /nfs/dbraw/zinc/43/67/00/338436700.db2.gz UWJPAEIGSRFANQ-LPHOPBHVSA-N 1 0 306.409 4.144 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442873016 338437013 /nfs/dbraw/zinc/43/70/13/338437013.db2.gz OKYMXMMGVDMVDY-IUODEOHRSA-N 1 0 308.347 4.366 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C12CCCCC2 ZINC000442879095 338437591 /nfs/dbraw/zinc/43/75/91/338437591.db2.gz VPXZTSIBMSEUQB-ZGUYJTEBSA-N 1 0 304.478 4.034 20 30 DIEDRO CC[C@H]([NH2+]CCCN(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447518717 338553726 /nfs/dbraw/zinc/55/37/26/338553726.db2.gz DOIVHVMNRKMYHM-FQEVSTJZSA-N 1 0 307.441 4.125 20 30 DIEDRO CCc1nc(CC[NH2+][C@@H](CC)c2ccc(C#N)cc2)sc1C ZINC000447543623 338555718 /nfs/dbraw/zinc/55/57/18/338555718.db2.gz RSJLVBXTBNVQPL-KRWDZBQOSA-N 1 0 313.470 4.169 20 30 DIEDRO CCCCn1cc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)c(C)n1 ZINC000447576335 338558219 /nfs/dbraw/zinc/55/82/19/338558219.db2.gz XXRSSRHLSXMPJY-LJQANCHMSA-N 1 0 310.445 4.104 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)c1ccc(C#N)cc1 ZINC000447578818 338558560 /nfs/dbraw/zinc/55/85/60/338558560.db2.gz HNXURXYIHJZNMX-WOJBJXKFSA-N 1 0 307.441 4.434 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1 ZINC000447587841 338559768 /nfs/dbraw/zinc/55/97/68/338559768.db2.gz RUKJXCSZAKLHIR-SJORKVTESA-N 1 0 312.800 4.386 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1COc2c1ccc(C)c2C)c1ccc(C#N)cc1 ZINC000447588670 338559895 /nfs/dbraw/zinc/55/98/95/338559895.db2.gz VTOROJQEPJTBBB-MOPGFXCFSA-N 1 0 306.409 4.350 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCCc2c(F)cccc2Cl)c1 ZINC000447821767 338567834 /nfs/dbraw/zinc/56/78/34/338567834.db2.gz MMHKYKYKCQWYBY-UHFFFAOYSA-N 1 0 302.780 4.073 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000449070454 338588822 /nfs/dbraw/zinc/58/88/22/338588822.db2.gz KGJOIUGELNRXKD-UHFFFAOYSA-N 1 0 313.264 4.073 20 30 DIEDRO CCN(CC)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449063920 338589650 /nfs/dbraw/zinc/58/96/50/338589650.db2.gz OEFFUDGEKRTORT-GPJFCIFZSA-N 1 0 313.489 4.132 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000449096168 338593054 /nfs/dbraw/zinc/59/30/54/338593054.db2.gz FGVUEGKYRFZUCE-SOAISFHBSA-N 1 0 312.457 4.216 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000449106047 338594108 /nfs/dbraw/zinc/59/41/08/338594108.db2.gz KMHXBUNTPWCFHV-UHFFFAOYSA-N 1 0 307.235 4.011 20 30 DIEDRO C=CCN1CCC([NH2+]Cc2ccccc2-c2ccccc2C)CC1 ZINC000449127427 338595626 /nfs/dbraw/zinc/59/56/26/338595626.db2.gz WPRBLIPVDGNBIO-UHFFFAOYSA-N 1 0 320.480 4.402 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449149895 338597197 /nfs/dbraw/zinc/59/71/97/338597197.db2.gz PCYVWMFYEIIRCO-NSHDSACASA-N 1 0 305.219 4.052 20 30 DIEDRO CC[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1ccccc1F ZINC000449184303 338600358 /nfs/dbraw/zinc/60/03/58/338600358.db2.gz MONFBVMDIFWQOK-CSLYMUCUSA-N 1 0 304.409 4.045 20 30 DIEDRO CCOc1cc(Cl)ccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449210506 338602653 /nfs/dbraw/zinc/60/26/53/338602653.db2.gz UEESFZDZLCRVBR-UHFFFAOYSA-N 1 0 306.837 4.301 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC1 ZINC000449299918 338610724 /nfs/dbraw/zinc/61/07/24/338610724.db2.gz NDXJPTRRAUMHOM-FQVWIBBQSA-N 1 0 304.384 4.273 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449439502 338624171 /nfs/dbraw/zinc/62/41/71/338624171.db2.gz VSNOYPOTVICKPQ-SWLSCSKDSA-N 1 0 301.352 4.073 20 30 DIEDRO C=C(C)CC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449478972 338628996 /nfs/dbraw/zinc/62/89/96/338628996.db2.gz TZEWBSDURAYNFJ-UHFFFAOYSA-N 1 0 305.219 4.053 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000449487122 338629981 /nfs/dbraw/zinc/62/99/81/338629981.db2.gz WXIHEHPSYAPRGJ-CYBMUJFWSA-N 1 0 308.853 4.167 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cccc(CC#N)c2)CC1 ZINC000449703301 338647288 /nfs/dbraw/zinc/64/72/88/338647288.db2.gz UJICPGSDLFVYTO-UZLBHIALSA-N 1 0 311.473 4.208 20 30 DIEDRO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2(C#N)CCC2)cc1 ZINC000450818669 338706954 /nfs/dbraw/zinc/70/69/54/338706954.db2.gz JAWUCDHSOGFCHT-RBUKOAKNSA-N 1 0 312.457 4.393 20 30 DIEDRO N#CC1(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCC1 ZINC000450980828 338715562 /nfs/dbraw/zinc/71/55/62/338715562.db2.gz OBFSNLFEAYGDRI-HNNXBMFYSA-N 1 0 324.346 4.320 20 30 DIEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000451060838 338720048 /nfs/dbraw/zinc/72/00/48/338720048.db2.gz GYXWGAHNOCWACW-DUXKGJEZSA-N 1 0 322.452 4.176 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000451060549 338720068 /nfs/dbraw/zinc/72/00/68/338720068.db2.gz GANIVRQNDPKXCK-RTWAWAEBSA-N 1 0 322.452 4.269 20 30 DIEDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCOCC1)c1ccc(C#N)cc1 ZINC000451938809 338748532 /nfs/dbraw/zinc/74/85/32/338748532.db2.gz INXMLCQXKLZKFA-QGZVFWFLSA-N 1 0 320.436 4.001 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCC1CCOCC1 ZINC000453230783 338811296 /nfs/dbraw/zinc/81/12/96/338811296.db2.gz HTZSOWUMHYVFJN-HXUWFJFHSA-N 1 0 312.457 4.122 20 30 DIEDRO CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000453290711 338819391 /nfs/dbraw/zinc/81/93/91/338819391.db2.gz LHLHHAGVINBXJL-BQFCYCMXSA-N 1 0 300.446 4.454 20 30 DIEDRO Cc1cccnc1CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000453308750 338822208 /nfs/dbraw/zinc/82/22/08/338822208.db2.gz NZJUWAATZRGULP-NRFANRHFSA-N 1 0 319.452 4.252 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453345751 338828599 /nfs/dbraw/zinc/82/85/99/338828599.db2.gz KDIGWKIUXLKGIV-BEVDRBHNSA-N 1 0 324.424 4.258 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000453362816 338831935 /nfs/dbraw/zinc/83/19/35/338831935.db2.gz PPVAFRBNMCEKBO-YVLXSGLVSA-N 1 0 320.483 4.174 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000453374467 338833920 /nfs/dbraw/zinc/83/39/20/338833920.db2.gz OXQJYOQYQADSFI-JVPBZIDWSA-N 1 0 306.409 4.164 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000453380226 338834981 /nfs/dbraw/zinc/83/49/81/338834981.db2.gz ZPTFXTZKVHDCMI-XKQJLSEDSA-N 1 0 315.413 4.134 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCO[C@@H](c3cccs3)C1)CC2 ZINC000453407864 338839771 /nfs/dbraw/zinc/83/97/71/338839771.db2.gz DVPKTPPYYOHGJP-BPQIPLTHSA-N 1 0 324.449 4.117 20 30 DIEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000453607069 338850339 /nfs/dbraw/zinc/85/03/39/338850339.db2.gz XFTJJFHBZIHRSH-MRXNPFEDSA-N 1 0 324.472 4.378 20 30 DIEDRO C=C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458298660 338995187 /nfs/dbraw/zinc/99/51/87/338995187.db2.gz ZQJGVCGZNACVAM-QGZVFWFLSA-N 1 0 322.452 4.355 20 30 DIEDRO C=C(C)[C@@H](NCc1cnc(C2CC2)nc1)c1ccc(F)c(F)c1 ZINC000459531878 339034292 /nfs/dbraw/zinc/03/42/92/339034292.db2.gz MYGJCSOXGMIYIG-QGZVFWFLSA-N 1 0 315.367 4.039 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000459640603 339039961 /nfs/dbraw/zinc/03/99/61/339039961.db2.gz LQRDDNHTJWYAQP-QGZVFWFLSA-N 1 0 321.468 4.384 20 30 DIEDRO C[C@@H](C[NH2+]CC(C)(C)CC#N)c1cccc(Br)c1 ZINC000459725501 339044481 /nfs/dbraw/zinc/04/44/81/339044481.db2.gz CRRSUJBSYHCNCY-LBPRGKRZSA-N 1 0 309.251 4.082 20 30 DIEDRO COc1ccc(C2CCC([NH2+]CC(C)(C)CC#N)CC2)cc1 ZINC000459728322 339044728 /nfs/dbraw/zinc/04/47/28/339044728.db2.gz ISOYFIKKAFRAMW-UHFFFAOYSA-N 1 0 300.446 4.251 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000459734534 339045146 /nfs/dbraw/zinc/04/51/46/339045146.db2.gz RSPNNMKQDLJVLO-UHFFFAOYSA-N 1 0 315.642 4.132 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000165097864 339052743 /nfs/dbraw/zinc/05/27/43/339052743.db2.gz RYRWQKWJTWWIAW-LLVKDONJSA-N 1 0 300.265 4.019 20 30 DIEDRO CC[C@@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000462365808 339076850 /nfs/dbraw/zinc/07/68/50/339076850.db2.gz NFRPEZGIEMMFGX-CRAIPNDOSA-N 1 0 302.487 4.350 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc(OC)c1O ZINC000462736745 339085942 /nfs/dbraw/zinc/08/59/42/339085942.db2.gz UVWFTTJYMYYNJG-XYJFISCASA-N 1 0 315.457 4.188 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](OCC)C23CCCC3)cc1 ZINC000462756146 339087174 /nfs/dbraw/zinc/08/71/74/339087174.db2.gz MCIBPELLIQENDW-RBUKOAKNSA-N 1 0 315.457 4.079 20 30 DIEDRO C=C(C[NH2+]Cc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000462763066 339087378 /nfs/dbraw/zinc/08/73/78/339087378.db2.gz CTWSBKZMKGOPJH-UHFFFAOYSA-N 1 0 321.342 4.431 20 30 DIEDRO CC1CC[NH+](CCCCNc2c(Cl)cccc2C#N)CC1 ZINC000462783528 339088283 /nfs/dbraw/zinc/08/82/83/339088283.db2.gz QGMNKXUVPDDQSW-UHFFFAOYSA-N 1 0 305.853 4.136 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1c(Cl)cccc1C#N ZINC000462789454 339088777 /nfs/dbraw/zinc/08/87/77/339088777.db2.gz KHHRPGWRNXGEAG-CQSZACIVSA-N 1 0 305.853 4.278 20 30 DIEDRO Cc1ccc([C@@H](CNc2ccc(F)cc2C#N)[NH+]2CCCC2)cc1 ZINC000462800928 339089704 /nfs/dbraw/zinc/08/97/04/339089704.db2.gz GZYZRSXPXRVOTC-HXUWFJFHSA-N 1 0 323.415 4.255 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000462845990 339093962 /nfs/dbraw/zinc/09/39/62/339093962.db2.gz SHWXBZUYBDFLDB-JNAXZKDPSA-N 1 0 324.399 4.268 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cncc(C(F)(F)F)c1 ZINC000463071654 339104092 /nfs/dbraw/zinc/10/40/92/339104092.db2.gz ADAPYVJALKQOAH-UHFFFAOYSA-N 1 0 320.358 4.331 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000463233378 339110706 /nfs/dbraw/zinc/11/07/06/339110706.db2.gz NHNJTPPUYVSHSP-NVXWUHKLSA-N 1 0 300.446 4.344 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463237253 339111012 /nfs/dbraw/zinc/11/10/12/339111012.db2.gz USSQMPDKTMGPMP-DOADOZAASA-N 1 0 312.457 4.357 20 30 DIEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000463238844 339111076 /nfs/dbraw/zinc/11/10/76/339111076.db2.gz TZYUTWUABYBTFS-LCLWPZTBSA-N 1 0 312.457 4.357 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000463282582 339113340 /nfs/dbraw/zinc/11/33/40/339113340.db2.gz LBFRZCNADDUIQS-ZOBUZTSGSA-N 1 0 318.486 4.158 20 30 DIEDRO CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463286086 339113387 /nfs/dbraw/zinc/11/33/87/339113387.db2.gz KTPPCWQWHIKAND-QZTJIDSGSA-N 1 0 300.446 4.080 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000463296486 339113946 /nfs/dbraw/zinc/11/39/46/339113946.db2.gz VFTXISPICOUOLA-LSDHHAIUSA-N 1 0 318.411 4.449 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000463296484 339113958 /nfs/dbraw/zinc/11/39/58/339113958.db2.gz VFTXISPICOUOLA-GJZGRUSLSA-N 1 0 318.411 4.449 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)CCc1cccc(Br)c1 ZINC000463412182 339116949 /nfs/dbraw/zinc/11/69/49/339116949.db2.gz HZUAAZGNEMQQAV-UHFFFAOYSA-N 1 0 323.278 4.253 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463436870 339117632 /nfs/dbraw/zinc/11/76/32/339117632.db2.gz CFPCGCBBXGTJJV-HIFRSBDPSA-N 1 0 314.326 4.250 20 30 DIEDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463444089 339118029 /nfs/dbraw/zinc/11/80/29/339118029.db2.gz PZHBMDQOXCPNHG-CVEARBPZSA-N 1 0 313.338 4.230 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000463707670 339124265 /nfs/dbraw/zinc/12/42/65/339124265.db2.gz PLSJQUKFKJLMFL-ZETCQYMHSA-N 1 0 303.221 4.275 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000464743602 339150601 /nfs/dbraw/zinc/15/06/01/339150601.db2.gz ZJPXLBULRZZGPX-QRWLVFNGSA-N 1 0 324.399 4.159 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000464743600 339150639 /nfs/dbraw/zinc/15/06/39/339150639.db2.gz ZJPXLBULRZZGPX-FOIQADDNSA-N 1 0 324.399 4.159 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2ccccc2C#N)[C@@H](c2ccco2)C1 ZINC000464852782 339157853 /nfs/dbraw/zinc/15/78/53/339157853.db2.gz CDWRZERSECOBRZ-DOTOQJQBSA-N 1 0 310.397 4.003 20 30 DIEDRO N#CCSCCC[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000464873931 339159660 /nfs/dbraw/zinc/15/96/60/339159660.db2.gz ANUHEWWJHLLCGP-UHFFFAOYSA-N 1 0 320.477 4.260 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000466383614 339201658 /nfs/dbraw/zinc/20/16/58/339201658.db2.gz NHACFOHRKMGOKI-CQSZACIVSA-N 1 0 300.358 4.299 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000466398649 339202506 /nfs/dbraw/zinc/20/25/06/339202506.db2.gz JBFVEDJSURIFER-HNNXBMFYSA-N 1 0 316.470 4.475 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2cccc(Cl)c2Cl)c1 ZINC000466422106 339204063 /nfs/dbraw/zinc/20/40/63/339204063.db2.gz JFKSPESZQPYUCP-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2c(Cl)oc3ccccc32)c1 ZINC000466425025 339204303 /nfs/dbraw/zinc/20/43/03/339204303.db2.gz ZDTYPPIIVPICOE-UHFFFAOYSA-N 1 0 310.784 4.290 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ncc(-c3ccccc3)s2)c1 ZINC000466425388 339204328 /nfs/dbraw/zinc/20/43/28/339204328.db2.gz MLFZVZZZBOTPOC-UHFFFAOYSA-N 1 0 319.433 4.014 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccccc2OC2CCCC2)c1 ZINC000466424717 339204348 /nfs/dbraw/zinc/20/43/48/339204348.db2.gz XDXKLBCELARDTH-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](CCCSCC#N)CC1CCC1 ZINC000466720107 339214180 /nfs/dbraw/zinc/21/41/80/339214180.db2.gz ZGKIHPYYJLPPRX-INIZCTEOSA-N 1 0 302.487 4.497 20 30 DIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2CCCSCC#N)c1C ZINC000466731704 339214764 /nfs/dbraw/zinc/21/47/64/339214764.db2.gz RULFIGSVLSIXMY-SFHVURJKSA-N 1 0 302.487 4.477 20 30 DIEDRO CC[N@H+](CCCSCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000466734064 339214820 /nfs/dbraw/zinc/21/48/20/339214820.db2.gz BKSGDQRXHVWVEH-SFHVURJKSA-N 1 0 322.493 4.362 20 30 DIEDRO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CCCSCC#N)cc1 ZINC000466743620 339215527 /nfs/dbraw/zinc/21/55/27/339215527.db2.gz MRZFBJIYVIZTLS-SJLPKXTDSA-N 1 0 302.487 4.415 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000466873982 339219696 /nfs/dbraw/zinc/21/96/96/339219696.db2.gz MJLAKOIVCSHVNE-MRXNPFEDSA-N 1 0 322.518 4.021 20 30 DIEDRO N#CCSCCC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000467198902 339227932 /nfs/dbraw/zinc/22/79/32/339227932.db2.gz ZKWBUQODZLWVSV-UHFFFAOYSA-N 1 0 306.450 4.217 20 30 DIEDRO COCC[C@H]1CCCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000467271914 339229455 /nfs/dbraw/zinc/22/94/55/339229455.db2.gz VKWMPCWSMAWOIP-QGZVFWFLSA-N 1 0 314.473 4.126 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000467283096 339229879 /nfs/dbraw/zinc/22/98/79/339229879.db2.gz UEOSZZPXQRQPJP-AWEZNQCLSA-N 1 0 306.365 4.034 20 30 DIEDRO C=CCC[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000467288644 339230001 /nfs/dbraw/zinc/23/00/01/339230001.db2.gz JJBKNLYTBMTJOB-UHFFFAOYSA-N 1 0 324.424 4.315 20 30 DIEDRO C=CCC[N@@H+](C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000467293600 339230079 /nfs/dbraw/zinc/23/00/79/339230079.db2.gz MRIJFCPIBDMLQN-FQEVSTJZSA-N 1 0 322.452 4.491 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000467415197 339237341 /nfs/dbraw/zinc/23/73/41/339237341.db2.gz XPTMRTNQDKSTLN-HUUCEWRRSA-N 1 0 301.352 4.337 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000467415716 339237378 /nfs/dbraw/zinc/23/73/78/339237378.db2.gz CFQVXDCOOJJAGR-GXTWGEPZSA-N 1 0 324.852 4.010 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000467418904 339237612 /nfs/dbraw/zinc/23/76/12/339237612.db2.gz OSYSPUCTRPWGIP-DZGCQCFKSA-N 1 0 308.853 4.310 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000467432929 339238229 /nfs/dbraw/zinc/23/82/29/339238229.db2.gz NNGGRBIFCIJRAI-RTWAWAEBSA-N 1 0 304.437 4.102 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000467442406 339238867 /nfs/dbraw/zinc/23/88/67/339238867.db2.gz MDFDAWHORPXDPM-VQTJNVASSA-N 1 0 308.400 4.166 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000467442407 339238972 /nfs/dbraw/zinc/23/89/72/339238972.db2.gz MDFDAWHORPXDPM-WOJBJXKFSA-N 1 0 308.400 4.166 20 30 DIEDRO CCC[C@H]([NH2+]CCc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000467447838 339239166 /nfs/dbraw/zinc/23/91/66/339239166.db2.gz JEYGKEIALBICIN-IBGZPJMESA-N 1 0 323.396 4.140 20 30 DIEDRO Cc1cccc(C[C@@H]([NH2+]CCc2cccc(C#N)c2)C2CC2)c1 ZINC000467449166 339239296 /nfs/dbraw/zinc/23/92/96/339239296.db2.gz OGXFKIIBPBAJAO-OAQYLSRUSA-N 1 0 304.437 4.020 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000467450531 339239369 /nfs/dbraw/zinc/23/93/69/339239369.db2.gz WBPRZYRGDCWCQW-RTWAWAEBSA-N 1 0 304.437 4.417 20 30 DIEDRO CC(C)[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000467456480 339239804 /nfs/dbraw/zinc/23/98/04/339239804.db2.gz ULRLKQPHDMAAEV-IBGZPJMESA-N 1 0 314.379 4.366 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2)CC1 ZINC000467854910 339247838 /nfs/dbraw/zinc/24/78/38/339247838.db2.gz WPWJBBCRLDNCAH-SFHVURJKSA-N 1 0 306.881 4.421 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000467868035 339248183 /nfs/dbraw/zinc/24/81/83/339248183.db2.gz QUSFXPGQBGTYOH-AWEZNQCLSA-N 1 0 303.327 4.408 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000468033204 339251792 /nfs/dbraw/zinc/25/17/92/339251792.db2.gz HPVCINKBQBJUSS-JEYLPNPQSA-N 1 0 310.363 4.321 20 30 DIEDRO N#Cc1cc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)ccc1F ZINC000468278041 339258695 /nfs/dbraw/zinc/25/86/95/339258695.db2.gz PJSDBGQMINFEHO-FQEVSTJZSA-N 1 0 306.384 4.349 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000468366290 339260735 /nfs/dbraw/zinc/26/07/35/339260735.db2.gz FEKJXATYYGTAEB-TZIWHRDSSA-N 1 0 312.501 4.028 20 30 DIEDRO C=CCCCCCN(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469678042 339295365 /nfs/dbraw/zinc/29/53/65/339295365.db2.gz AIQXYDPXWAXPPW-UHFFFAOYSA-N 1 0 323.440 4.066 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000469777863 339297928 /nfs/dbraw/zinc/29/79/28/339297928.db2.gz YHIQKEQJPRXXCF-HZPDHXFCSA-N 1 0 308.878 4.366 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc(Br)cc2cccnc21 ZINC000470175641 339312829 /nfs/dbraw/zinc/31/28/29/339312829.db2.gz RDTNQJRYFSVJRX-UHFFFAOYSA-N 1 0 319.246 4.395 20 30 DIEDRO N#Cc1ccc(SCCC[NH+]2CCCC2)cc1C(F)(F)F ZINC000470457004 339320203 /nfs/dbraw/zinc/32/02/03/339320203.db2.gz WNFRBDWHDBITTF-UHFFFAOYSA-N 1 0 314.376 4.155 20 30 DIEDRO CC[C@@H](c1ccccc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000471146159 339338516 /nfs/dbraw/zinc/33/85/16/339338516.db2.gz WEZAHJMHIDXABU-SFTDATJTSA-N 1 0 319.452 4.020 20 30 DIEDRO C=CCCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000471595265 339348680 /nfs/dbraw/zinc/34/86/80/339348680.db2.gz SUQGOSFLEYVUSL-KRWDZBQOSA-N 1 0 303.837 4.109 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000471606811 339349218 /nfs/dbraw/zinc/34/92/18/339349218.db2.gz PYWPPOLXXRHKGI-INIZCTEOSA-N 1 0 313.445 4.006 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000471611526 339349570 /nfs/dbraw/zinc/34/95/70/339349570.db2.gz KPCPRTZPPJKHKV-ZDUSSCGKSA-N 1 0 324.852 4.012 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000472137899 339364099 /nfs/dbraw/zinc/36/40/99/339364099.db2.gz GSKYFIOFSQVBJD-RTBURBONSA-N 1 0 306.409 4.047 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000472761815 339377000 /nfs/dbraw/zinc/37/70/00/339377000.db2.gz HUKLGWLBUYCNIP-SWLSCSKDSA-N 1 0 301.352 4.025 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000472761813 339377066 /nfs/dbraw/zinc/37/70/66/339377066.db2.gz HUKLGWLBUYCNIP-IUODEOHRSA-N 1 0 301.352 4.025 20 30 DIEDRO COc1c2ccccc2oc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000473788258 339392098 /nfs/dbraw/zinc/39/20/98/339392098.db2.gz JTEXLOLXYXHYMV-ZDUSSCGKSA-N 1 0 306.365 4.164 20 30 DIEDRO C=C(C[NH2+]Cc1nc2ccc(OC)cc2s1)c1ccccc1 ZINC000474354585 339410699 /nfs/dbraw/zinc/41/06/99/339410699.db2.gz WSAQHBQOXZRTQZ-UHFFFAOYSA-N 1 0 310.422 4.108 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1cc2cccc(F)c2o1 ZINC000475694618 339459684 /nfs/dbraw/zinc/45/96/84/339459684.db2.gz NMHLDJQDTLJUOJ-ZDUSSCGKSA-N 1 0 324.355 4.173 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc2cccc(F)c2o1 ZINC000475722667 339460393 /nfs/dbraw/zinc/46/03/93/339460393.db2.gz SEYJZEDWZOQVSI-CYBMUJFWSA-N 1 0 308.356 4.489 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1ccco1 ZINC000476010004 339467430 /nfs/dbraw/zinc/46/74/30/339467430.db2.gz UIYYOINLBQOIDZ-LJQANCHMSA-N 1 0 321.424 4.305 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000479447009 339535607 /nfs/dbraw/zinc/53/56/07/339535607.db2.gz BOMPEAXPBYYQLR-QYWGDWMGSA-N 1 0 320.436 4.301 20 30 DIEDRO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000479469432 339536770 /nfs/dbraw/zinc/53/67/70/339536770.db2.gz WHUBFBVDAQESRN-KRWDZBQOSA-N 1 0 319.452 4.125 20 30 DIEDRO CC[C@H](C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000480353074 339570130 /nfs/dbraw/zinc/57/01/30/339570130.db2.gz BMZMZTQUWZNUNW-SCLBCKFNSA-N 1 0 315.848 4.427 20 30 DIEDRO Cn1cc(C[NH2+]CC(C)(C)CCCc2ccccc2)cc1C#N ZINC000480385435 339571634 /nfs/dbraw/zinc/57/16/34/339571634.db2.gz HVPCWULQHYFSPI-UHFFFAOYSA-N 1 0 309.457 4.035 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCNc1ccccc1 ZINC000481678569 339609531 /nfs/dbraw/zinc/60/95/31/339609531.db2.gz PWOGTTATHKFADD-NRFANRHFSA-N 1 0 319.452 4.418 20 30 DIEDRO COc1ccc(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481932801 339617382 /nfs/dbraw/zinc/61/73/82/339617382.db2.gz ONBJEMHTMSSQQX-NRFANRHFSA-N 1 0 320.436 4.167 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000482639365 339638428 /nfs/dbraw/zinc/63/84/28/339638428.db2.gz DIHHJEZUTFTDCK-QGZVFWFLSA-N 1 0 321.468 4.050 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000482639134 339638494 /nfs/dbraw/zinc/63/84/94/339638494.db2.gz FYUBZFJNTOIXFH-HNNXBMFYSA-N 1 0 318.530 4.318 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000482639140 339638496 /nfs/dbraw/zinc/63/84/96/339638496.db2.gz FYUBZFJNTOIXFH-OAHLLOKOSA-N 1 0 318.530 4.318 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1F ZINC000483702119 339672002 /nfs/dbraw/zinc/67/20/02/339672002.db2.gz UFJSOSMENYEQFI-IEBWSBKVSA-N 1 0 312.363 4.262 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(Br)s1 ZINC000483986781 339679261 /nfs/dbraw/zinc/67/92/61/339679261.db2.gz XNLBXAZCZWFZPE-GFCCVEGCSA-N 1 0 320.255 4.213 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000497100406 340020270 /nfs/dbraw/zinc/02/02/70/340020270.db2.gz SXXWPPNAOINQAP-BZNIZROVSA-N 1 0 320.845 4.139 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498745756 340022526 /nfs/dbraw/zinc/02/25/26/340022526.db2.gz CRWMWCGPFBCFGP-KDOFPFPSSA-N 1 0 301.430 4.294 20 30 DIEDRO Cc1cc(C)c2c(c1)N(CCCC1(C#N)CCOCC1)CCC2 ZINC000499513644 340038350 /nfs/dbraw/zinc/03/83/50/340038350.db2.gz GFVYXTNXHAEMAW-UHFFFAOYSA-N 1 0 312.457 4.157 20 30 DIEDRO Cc1cccc(N(CCCC2(C#N)CCOCC2)C(C)C)c1 ZINC000499515485 340038438 /nfs/dbraw/zinc/03/84/38/340038438.db2.gz PLIZJCCIKKVRSC-UHFFFAOYSA-N 1 0 300.446 4.310 20 30 DIEDRO CCC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)C1CCCCC1 ZINC000499610863 340040928 /nfs/dbraw/zinc/04/09/28/340040928.db2.gz LTPCYJRFOJMWFY-GOSISDBHSA-N 1 0 306.494 4.426 20 30 DIEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCCC1(C#N)CCOCC1 ZINC000499627928 340041457 /nfs/dbraw/zinc/04/14/57/340041457.db2.gz WBNRQHBZMCQAEP-QGZVFWFLSA-N 1 0 300.446 4.055 20 30 DIEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499697948 340042873 /nfs/dbraw/zinc/04/28/73/340042873.db2.gz WKZZLLUNPHGITF-ROUUACIJSA-N 1 0 306.494 4.281 20 30 DIEDRO C/C(=C\c1ccccc1)C[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000499733131 340043733 /nfs/dbraw/zinc/04/37/33/340043733.db2.gz NUBFRDWEZZMEDW-OBGWFSINSA-N 1 0 312.457 4.122 20 30 DIEDRO C[C@H](C[N@H+](CCC#N)CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000500114657 340050524 /nfs/dbraw/zinc/05/05/24/340050524.db2.gz JBHMALRFLVTCCT-CYBMUJFWSA-N 1 0 310.363 4.435 20 30 DIEDRO C=CCc1cc(C[NH2+]C2[C@H](C)CCC[C@H]2C)cc(OC)c1O ZINC000500127177 340050759 /nfs/dbraw/zinc/05/07/59/340050759.db2.gz YWGRRHLKKZDLSE-ZIAGYGMSSA-N 1 0 303.446 4.044 20 30 DIEDRO COc1cccc(C2(F)CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000500163996 340051727 /nfs/dbraw/zinc/05/17/27/340051727.db2.gz DLJKPGOGMJOLJN-UHFFFAOYSA-N 1 0 323.411 4.008 20 30 DIEDRO C=CCc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(OC)c1O ZINC000500275612 340054411 /nfs/dbraw/zinc/05/44/11/340054411.db2.gz CNTSHSKCVCPSAG-UHFFFAOYSA-N 1 0 305.462 4.434 20 30 DIEDRO COc1cc(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)ccc1C#N ZINC000500503733 340060924 /nfs/dbraw/zinc/06/09/24/340060924.db2.gz PIDRAYMOUYNEGI-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000404768814 340063195 /nfs/dbraw/zinc/06/31/95/340063195.db2.gz UZAOMZCMFYKNRC-AWEZNQCLSA-N 1 0 312.388 4.337 20 30 DIEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000502453562 340104212 /nfs/dbraw/zinc/10/42/12/340104212.db2.gz KEWQTSPSLDDDTJ-ZACQAIPSSA-N 1 0 307.359 4.225 20 30 DIEDRO CC[C@@H]1C[C@@]1([NH2+]Cc1cc(C#N)ccc1F)c1cccc(C)c1 ZINC000502560393 340107762 /nfs/dbraw/zinc/10/77/62/340107762.db2.gz QCQHICKRCWMTNX-XLIONFOSSA-N 1 0 308.400 4.421 20 30 DIEDRO C[C@@H]1C[C@]1([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000503426655 340128012 /nfs/dbraw/zinc/12/80/12/340128012.db2.gz AGABAUNCRGPSDA-KZULUSFZSA-N 1 0 314.791 4.376 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503525481 340129787 /nfs/dbraw/zinc/12/97/87/340129787.db2.gz GCBVRBAXPDPCMJ-MSOLQXFVSA-N 1 0 300.446 4.044 20 30 DIEDRO CCCCCn1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000504377675 340146329 /nfs/dbraw/zinc/14/63/29/340146329.db2.gz ZVHRYFXDCMTXTF-HNNXBMFYSA-N 1 0 310.445 4.104 20 30 DIEDRO C=CCc1cc(C[N@H+](CC)Cc2ccccc2)cc(OC)c1O ZINC000505847990 340179645 /nfs/dbraw/zinc/17/96/45/340179645.db2.gz KIAZZHVRCUIYRN-UHFFFAOYSA-N 1 0 311.425 4.151 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000505891033 340180947 /nfs/dbraw/zinc/18/09/47/340180947.db2.gz HLSWZFRCKHCJFZ-UHFFFAOYSA-N 1 0 301.409 4.026 20 30 DIEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000506192968 340188145 /nfs/dbraw/zinc/18/81/45/340188145.db2.gz NAACBOJKTIICPG-ZDUSSCGKSA-N 1 0 324.815 4.052 20 30 DIEDRO CC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000506370104 340193390 /nfs/dbraw/zinc/19/33/90/340193390.db2.gz POVPHEQZALNGOP-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO C[N@H+](CCOc1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000506905027 340203356 /nfs/dbraw/zinc/20/33/56/340203356.db2.gz YGYYSGHKZMZYRC-UHFFFAOYSA-N 1 0 316.404 4.222 20 30 DIEDRO CCOc1ccc(C[N@H+](Cc2cccc(C#N)c2)C(C)C)cc1 ZINC000507173308 340211128 /nfs/dbraw/zinc/21/11/28/340211128.db2.gz LMVZZUORYSRUOH-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N(C)C ZINC000507174792 340211145 /nfs/dbraw/zinc/21/11/45/340211145.db2.gz SPDMHRHDHPQQKM-UHFFFAOYSA-N 1 0 307.441 4.035 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](CCCC#N)Cc1ccccc1 ZINC000507220312 340214206 /nfs/dbraw/zinc/21/42/06/340214206.db2.gz VKSQJBKBOYUMHX-SFHVURJKSA-N 1 0 322.452 4.432 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000507222403 340214356 /nfs/dbraw/zinc/21/43/56/340214356.db2.gz UFMVPZRCOCWVJX-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO CC[N@H+](Cc1cc(OC)ccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000507332282 340217387 /nfs/dbraw/zinc/21/73/87/340217387.db2.gz HXWWUFRQNUUSDR-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000507442276 340219782 /nfs/dbraw/zinc/21/97/82/340219782.db2.gz OEVRGVLESGWHFI-INIZCTEOSA-N 1 0 320.436 4.368 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCS1 ZINC000507739421 340230002 /nfs/dbraw/zinc/23/00/02/340230002.db2.gz LFICQXRIINMTKE-OAHLLOKOSA-N 1 0 308.450 4.163 20 30 DIEDRO CC[C@@H]1C[C@H](C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000507801421 340232131 /nfs/dbraw/zinc/23/21/31/340232131.db2.gz DNUVFSQKUNNMRM-KVSKMBFKSA-N 1 0 300.446 4.146 20 30 DIEDRO Cc1cc(F)ccc1C[NH2+]CCSCc1ccccc1C#N ZINC000507900422 340235557 /nfs/dbraw/zinc/23/55/57/340235557.db2.gz ADLIYWTXPPFAES-UHFFFAOYSA-N 1 0 314.429 4.029 20 30 DIEDRO CC[N@H+](Cc1cc(OC)cc(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508602893 340247593 /nfs/dbraw/zinc/24/75/93/340247593.db2.gz GXWXCXVTTINCGS-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO CC[N@H+](Cc1ccc(F)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606485 340247816 /nfs/dbraw/zinc/24/78/16/340247816.db2.gz WXJXWXQHMDMYMQ-ZDUSSCGKSA-N 1 0 300.352 4.420 20 30 DIEDRO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000509009063 340258150 /nfs/dbraw/zinc/25/81/50/340258150.db2.gz WSOOKDJNBJYNMQ-XJKSGUPXSA-N 1 0 324.262 4.177 20 30 DIEDRO C[C@H](F)CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000509388020 340267922 /nfs/dbraw/zinc/26/79/22/340267922.db2.gz OKAQWLWVKWARQX-HNNXBMFYSA-N 1 0 314.379 4.448 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)c1ccc(F)cc1 ZINC000516616933 340274086 /nfs/dbraw/zinc/27/40/86/340274086.db2.gz HCDSQTJFGJYSBR-ZDUSSCGKSA-N 1 0 300.352 4.420 20 30 DIEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000510240418 340293694 /nfs/dbraw/zinc/29/36/94/340293694.db2.gz JNEVNRBKPIWHSM-WBVHZDCISA-N 1 0 300.446 4.408 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000510717324 340307873 /nfs/dbraw/zinc/30/78/73/340307873.db2.gz QXXKGLYBXABXER-TUNPWDSISA-N 1 0 324.468 4.417 20 30 DIEDRO C[C@H](CCc1c(F)cccc1F)[NH2+]CC1CCC(C#N)CC1 ZINC000510946215 340315814 /nfs/dbraw/zinc/31/58/14/340315814.db2.gz VECUVKAOTBLTSW-WLYUNCDWSA-N 1 0 306.400 4.205 20 30 DIEDRO Cc1cc(OCCC[C@@H](C)[NH2+]CC2(CC#N)CC2)ccc1Cl ZINC000510999043 340317624 /nfs/dbraw/zinc/31/76/24/340317624.db2.gz XGPMBLGBACOKEU-OAHLLOKOSA-N 1 0 320.864 4.479 20 30 DIEDRO C[N@H+](CCc1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000511744958 340336890 /nfs/dbraw/zinc/33/68/90/340336890.db2.gz ZVXKHXPQZWYXDJ-UHFFFAOYSA-N 1 0 300.405 4.386 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1OC ZINC000511875322 340341376 /nfs/dbraw/zinc/34/13/76/340341376.db2.gz RTOAJQLNQXOLEQ-SJORKVTESA-N 1 0 301.430 4.025 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C/C=C\c3ccc(F)c(F)c3)CC2)c1 ZINC000512036638 340346223 /nfs/dbraw/zinc/34/62/23/340346223.db2.gz AKGOLVLESRDCAE-RQOWECAXSA-N 1 0 310.347 4.129 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000512058756 340347072 /nfs/dbraw/zinc/34/70/72/340347072.db2.gz OYOWOEOAEADUNH-NSHDSACASA-N 1 0 318.280 4.062 20 30 DIEDRO C=C(C)C[N@H+](CCSC1CCCCC1)Cc1ccc(CO)o1 ZINC000512163567 340350512 /nfs/dbraw/zinc/35/05/12/340350512.db2.gz MEIGEHAMUILRJW-UHFFFAOYSA-N 1 0 323.502 4.216 20 30 DIEDRO C=C(C)C[N@H+](CCCc1ccccc1C)Cc1ccc(CO)o1 ZINC000512169854 340350755 /nfs/dbraw/zinc/35/07/55/340350755.db2.gz YQIUHXAYXLRJBI-UHFFFAOYSA-N 1 0 313.441 4.091 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000512434200 340361708 /nfs/dbraw/zinc/36/17/08/340361708.db2.gz VDPBGIRJQWOAMB-SUMWQHHRSA-N 1 0 312.363 4.214 20 30 DIEDRO Cc1ccc(C[N@H+](Cc2cccc(C#N)c2F)C(C)C)s1 ZINC000512456883 340362542 /nfs/dbraw/zinc/36/25/42/340362542.db2.gz PLZUEMVVCBFOIW-UHFFFAOYSA-N 1 0 302.418 4.478 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc3c(cccc3F)[nH]2)cc1 ZINC000512496451 340364048 /nfs/dbraw/zinc/36/40/48/340364048.db2.gz KNUNAKNJDLUHBY-UHFFFAOYSA-N 1 0 310.372 4.162 20 30 DIEDRO C=C(C)C[N@@H+](CCc1ccccc1F)Cc1cnn(C(C)C)c1 ZINC000512517275 340365094 /nfs/dbraw/zinc/36/50/94/340365094.db2.gz TVSPYKNPRKJGAY-UHFFFAOYSA-N 1 0 315.436 4.224 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccn2CCC(C)C)cc1 ZINC000512516579 340365120 /nfs/dbraw/zinc/36/51/20/340365120.db2.gz IJOOVKKQJNUCQN-UHFFFAOYSA-N 1 0 312.457 4.389 20 30 DIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1F ZINC000512614589 340369168 /nfs/dbraw/zinc/36/91/68/340369168.db2.gz WNDPHGWOJKCSMZ-ZDUSSCGKSA-N 1 0 312.363 4.219 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512621033 340369354 /nfs/dbraw/zinc/36/93/54/340369354.db2.gz URHXBUVPBDFPFM-CYBMUJFWSA-N 1 0 314.379 4.465 20 30 DIEDRO Cc1ccccc1OCCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512619860 340369433 /nfs/dbraw/zinc/36/94/33/340369433.db2.gz NNOVLEUQLUPWIJ-HNNXBMFYSA-N 1 0 312.388 4.126 20 30 DIEDRO C[C@H](NCc1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC000512623226 340369579 /nfs/dbraw/zinc/36/95/79/340369579.db2.gz DRVPSMSIRLAGQW-JTQLQIEISA-N 1 0 306.743 4.341 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512627011 340369887 /nfs/dbraw/zinc/36/98/87/340369887.db2.gz ZAVYVPVIYNNHCN-CYBMUJFWSA-N 1 0 314.379 4.465 20 30 DIEDRO Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512642911 340370620 /nfs/dbraw/zinc/37/06/20/340370620.db2.gz UFOYFIHDZBHQHI-CABCVRRESA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc(C#N)cc1F ZINC000512649555 340371012 /nfs/dbraw/zinc/37/10/12/340371012.db2.gz SNJLSTXPCBQMLU-AWEZNQCLSA-N 1 0 312.388 4.206 20 30 DIEDRO CCOCc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512650426 340371024 /nfs/dbraw/zinc/37/10/24/340371024.db2.gz ZYPHEHUIWRZICX-CQSZACIVSA-N 1 0 312.388 4.085 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512650173 340371028 /nfs/dbraw/zinc/37/10/28/340371028.db2.gz XPXAJKAMJFCVHQ-LBPRGKRZSA-N 1 0 316.351 4.086 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512653725 340371144 /nfs/dbraw/zinc/37/11/44/340371144.db2.gz GOPIKRJKCMDTQJ-STQMWFEESA-N 1 0 300.352 4.291 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652779 340371166 /nfs/dbraw/zinc/37/11/66/340371166.db2.gz BJUXPAXPGMYBLT-WBVHZDCISA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512655439 340371351 /nfs/dbraw/zinc/37/13/51/340371351.db2.gz UMEKCLLAJDURLN-KBXCAEBGSA-N 1 0 311.404 4.449 20 30 DIEDRO Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512660140 340371534 /nfs/dbraw/zinc/37/15/34/340371534.db2.gz LIBBIIQSOLAIBW-CABCVRRESA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000512661116 340371730 /nfs/dbraw/zinc/37/17/30/340371730.db2.gz PZYFFUVKDGNLDX-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000512661115 340371794 /nfs/dbraw/zinc/37/17/94/340371794.db2.gz PZYFFUVKDGNLDX-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512666051 340372117 /nfs/dbraw/zinc/37/21/17/340372117.db2.gz IIDDBBDUJOCCKL-CQSZACIVSA-N 1 0 308.400 4.153 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000512674623 340372440 /nfs/dbraw/zinc/37/24/40/340372440.db2.gz YFUBQYSPCJZGTJ-CYZMBNFOSA-N 1 0 314.326 4.469 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000512674624 340372477 /nfs/dbraw/zinc/37/24/77/340372477.db2.gz YFUBQYSPCJZGTJ-DRZSPHRISA-N 1 0 314.326 4.469 20 30 DIEDRO C[N@H+](CCCSCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000173863584 340376090 /nfs/dbraw/zinc/37/60/90/340376090.db2.gz WQFLSXJAMATFEO-UHFFFAOYSA-N 1 0 303.258 4.072 20 30 DIEDRO Fc1ccc(C[NH2+]CC2(C(F)(F)F)CC2)cc1C(F)(F)F ZINC000512912757 340383804 /nfs/dbraw/zinc/38/38/04/340383804.db2.gz IGEBFJPEIXLGDP-UHFFFAOYSA-N 1 0 315.232 4.277 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(CSC)cc1 ZINC000512971979 340386311 /nfs/dbraw/zinc/38/63/11/340386311.db2.gz OWWGLVJGGXWEEO-UHFFFAOYSA-N 1 0 313.466 4.404 20 30 DIEDRO Cc1ccc(OC2CC[NH+](CCCC(C)(C)C#N)CC2)cc1C ZINC000174822202 340396863 /nfs/dbraw/zinc/39/68/63/340396863.db2.gz RTNNAVOTMBEXRH-UHFFFAOYSA-N 1 0 314.473 4.477 20 30 DIEDRO COc1ccc(CC2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000174838809 340397270 /nfs/dbraw/zinc/39/72/70/340397270.db2.gz HEHWXEQFAJOQMO-UHFFFAOYSA-N 1 0 314.473 4.280 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CCC2=CCCC2)ccc1OC ZINC000513501106 340410932 /nfs/dbraw/zinc/41/09/32/340410932.db2.gz QUZRVXGFUCYRML-UHFFFAOYSA-N 1 0 301.430 4.240 20 30 DIEDRO N#CCCCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000178641740 340451250 /nfs/dbraw/zinc/45/12/50/340451250.db2.gz IZFHAIUVWRVTPI-HNNXBMFYSA-N 1 0 311.454 4.471 20 30 DIEDRO N#CCCC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000516864677 340457578 /nfs/dbraw/zinc/45/75/78/340457578.db2.gz CZKCYAQDGYPPKN-UHFFFAOYSA-N 1 0 311.454 4.326 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000520898927 340476891 /nfs/dbraw/zinc/47/68/91/340476891.db2.gz IRZVXIUCDFJSSE-AWEZNQCLSA-N 1 0 324.371 4.131 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000185874994 340506210 /nfs/dbraw/zinc/50/62/10/340506210.db2.gz ZOAVTZVODGNXAH-TZMCWYRMSA-N 1 0 306.812 4.183 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc(F)c(F)c1 ZINC000187368481 340519314 /nfs/dbraw/zinc/51/93/14/340519314.db2.gz LAZYCOKZUKKVQK-GOSISDBHSA-N 1 0 313.351 4.248 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2)ccc1C#N ZINC000234949996 340655355 /nfs/dbraw/zinc/65/53/55/340655355.db2.gz JAFNUKYVORXBGI-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C=C(C)C[NH+]1CCC(NCc2c(Cl)cccc2Cl)CC1 ZINC000236689470 340663928 /nfs/dbraw/zinc/66/39/28/340663928.db2.gz FUTKRUDNVUZFSC-UHFFFAOYSA-N 1 0 313.272 4.124 20 30 DIEDRO N#CCCCC[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000237817538 340674187 /nfs/dbraw/zinc/67/41/87/340674187.db2.gz IMTCOXRSWKFNQB-UHFFFAOYSA-N 1 0 300.446 4.429 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCC3=CCCCC3)CCOCC2)cc1 ZINC000528784893 340734269 /nfs/dbraw/zinc/73/42/69/340734269.db2.gz RQAIHFSBUIZEIS-UHFFFAOYSA-N 1 0 310.441 4.044 20 30 DIEDRO COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037996318 340788940 /nfs/dbraw/zinc/78/89/40/340788940.db2.gz QJLRQEQUWSMYQX-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000538117392 340810218 /nfs/dbraw/zinc/81/02/18/340810218.db2.gz WTOOXOJJSCIQDG-MRXNPFEDSA-N 1 0 324.262 4.083 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000538207621 340813360 /nfs/dbraw/zinc/81/33/60/340813360.db2.gz HTOXHFYFIIACOF-JKSUJKDBSA-N 1 0 300.446 4.209 20 30 DIEDRO Cc1cccc2c(CC[NH2+][C@H](C)c3ccc(C#N)c(F)c3)c[nH]c21 ZINC000538508151 340829617 /nfs/dbraw/zinc/82/96/17/340829617.db2.gz ZABSRBJZUQHBMF-CQSZACIVSA-N 1 0 321.399 4.380 20 30 DIEDRO CC(C)(C#N)CC[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000538512373 340830233 /nfs/dbraw/zinc/83/02/33/340830233.db2.gz MVUNQLSSBQUODW-HXUWFJFHSA-N 1 0 322.452 4.474 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000538515244 340830531 /nfs/dbraw/zinc/83/05/31/340830531.db2.gz OVBZVMKRIHPYHR-UHFFFAOYSA-N 1 0 302.462 4.486 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000539381297 340883229 /nfs/dbraw/zinc/88/32/29/340883229.db2.gz RCQASPXWKMXCSW-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000539607270 340892164 /nfs/dbraw/zinc/89/21/64/340892164.db2.gz ICHPHKSJRNPFPK-DCPHZVHLSA-N 1 0 324.399 4.126 20 30 DIEDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000539608437 340892372 /nfs/dbraw/zinc/89/23/72/340892372.db2.gz LGCOKVNQMUCXMQ-CYBMUJFWSA-N 1 0 300.352 4.120 20 30 DIEDRO CC(C)(C#N)CC[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000539615862 340893000 /nfs/dbraw/zinc/89/30/00/340893000.db2.gz PTRLEDFSNPYPAQ-IBGZPJMESA-N 1 0 308.425 4.336 20 30 DIEDRO C=C(C)COCC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000540155548 340918362 /nfs/dbraw/zinc/91/83/62/340918362.db2.gz AYXWWWXDEYDKII-WMZOPIPTSA-N 1 0 321.436 4.043 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000540319787 340926874 /nfs/dbraw/zinc/92/68/74/340926874.db2.gz UXESVCRNCHPNKX-ZDUSSCGKSA-N 1 0 319.326 4.129 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000540705539 340942189 /nfs/dbraw/zinc/94/21/89/340942189.db2.gz MPJMQIGNOAXSOD-NEPJUHHUSA-N 1 0 318.342 4.430 20 30 DIEDRO C[C@H]([NH2+]CCCOC1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000540702536 340942253 /nfs/dbraw/zinc/94/22/53/340942253.db2.gz WBVZFESQBDOJJI-AWEZNQCLSA-N 1 0 304.409 4.087 20 30 DIEDRO Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540706130 340942365 /nfs/dbraw/zinc/94/23/65/340942365.db2.gz AVLVOFXNJWZILM-ZDUSSCGKSA-N 1 0 300.352 4.038 20 30 DIEDRO N#CCCC[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000541380893 340968841 /nfs/dbraw/zinc/96/88/41/340968841.db2.gz TYNMIROFFIZXDR-UHFFFAOYSA-N 1 0 308.425 4.092 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000541596816 340976821 /nfs/dbraw/zinc/97/68/21/340976821.db2.gz FLMPYLBQQBAIGZ-ROUUACIJSA-N 1 0 315.482 4.257 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000541626861 340978398 /nfs/dbraw/zinc/97/83/98/340978398.db2.gz FNNKRCRARYZTCO-FXAWDEMLSA-N 1 0 309.453 4.124 20 30 DIEDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542106861 340995533 /nfs/dbraw/zinc/99/55/33/340995533.db2.gz YDRFAIOXDIXRBL-ARFHVFGLSA-N 1 0 308.425 4.299 20 30 DIEDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542106876 340995565 /nfs/dbraw/zinc/99/55/65/340995565.db2.gz YDRFAIOXDIXRBL-HRCADAONSA-N 1 0 308.425 4.299 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1OC(F)F ZINC000542253202 341002122 /nfs/dbraw/zinc/00/21/22/341002122.db2.gz KAMJCRKYWMZXEI-ZDUSSCGKSA-N 1 0 316.351 4.205 20 30 DIEDRO Cc1cccc(C2=CC[N@H+](Cc3ccc(CC#N)cc3)CC2)c1 ZINC000542258112 341002384 /nfs/dbraw/zinc/00/23/84/341002384.db2.gz HTVYWRLQYGCFBF-UHFFFAOYSA-N 1 0 302.421 4.350 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542277322 341003041 /nfs/dbraw/zinc/00/30/41/341003041.db2.gz NRBJOQOWXBREEJ-HNAYVOBHSA-N 1 0 308.400 4.270 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542277145 341003161 /nfs/dbraw/zinc/00/31/61/341003161.db2.gz KGFSXXYKAKXDHY-LJQANCHMSA-N 1 0 306.409 4.098 20 30 DIEDRO CCN(Cc1ccc(CC#N)cc1)Cc1c(F)cccc1F ZINC000542281763 341003488 /nfs/dbraw/zinc/00/34/88/341003488.db2.gz IMVIJYSSUPSRPW-UHFFFAOYSA-N 1 0 300.352 4.053 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000130258007 341010081 /nfs/dbraw/zinc/01/00/81/341010081.db2.gz CKEXRUMBBUAHEY-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc(Cl)s1 ZINC000542556238 341013434 /nfs/dbraw/zinc/01/34/34/341013434.db2.gz MMTXZEHSXMKTLE-CYBMUJFWSA-N 1 0 320.845 4.393 20 30 DIEDRO N#CCC1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000542854157 341023718 /nfs/dbraw/zinc/02/37/18/341023718.db2.gz QBQKFLDULPQEIM-UHFFFAOYSA-N 1 0 320.436 4.391 20 30 DIEDRO N#CCC1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000542879480 341024935 /nfs/dbraw/zinc/02/49/35/341024935.db2.gz QEORXSASTFFRLW-UHFFFAOYSA-N 1 0 315.804 4.121 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000543107169 341032307 /nfs/dbraw/zinc/03/23/07/341032307.db2.gz IMRKKXKTDASQTJ-HEZAVNPASA-N 1 0 312.457 4.439 20 30 DIEDRO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000130623858 341033997 /nfs/dbraw/zinc/03/39/97/341033997.db2.gz WYYZBUAFZPVASU-CYBMUJFWSA-N 1 0 313.470 4.206 20 30 DIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000543204178 341036547 /nfs/dbraw/zinc/03/65/47/341036547.db2.gz ZRKMSNUGFITTKM-OAQYLSRUSA-N 1 0 319.452 4.156 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000543208045 341036825 /nfs/dbraw/zinc/03/68/25/341036825.db2.gz KCSRTBIGSJQBHX-NHCUHLMSSA-N 1 0 315.420 4.024 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000543209677 341036836 /nfs/dbraw/zinc/03/68/36/341036836.db2.gz YWSOATAWPSWLTE-YWZLYKJASA-N 1 0 308.400 4.475 20 30 DIEDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000543632798 341052247 /nfs/dbraw/zinc/05/22/47/341052247.db2.gz XSVTZPUKCJUUKM-OAHLLOKOSA-N 1 0 323.396 4.358 20 30 DIEDRO CC[NH+](CC)CCCC1CCN(c2cccc(F)c2C#N)CC1 ZINC000543894018 341062691 /nfs/dbraw/zinc/06/26/91/341062691.db2.gz KEMLKMQBTLWWCE-UHFFFAOYSA-N 1 0 317.452 4.036 20 30 DIEDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961861 341064344 /nfs/dbraw/zinc/06/43/44/341064344.db2.gz UGRKVVOQFXKVMG-JKSUJKDBSA-N 1 0 308.425 4.301 20 30 DIEDRO CCOC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961860 341064402 /nfs/dbraw/zinc/06/44/02/341064402.db2.gz UGRKVVOQFXKVMG-HZPDHXFCSA-N 1 0 308.425 4.301 20 30 DIEDRO C=CC[N@@H+](CCc1cccc(F)c1F)Cc1cccc(C#N)c1 ZINC000544057660 341068501 /nfs/dbraw/zinc/06/85/01/341068501.db2.gz NAIPZBWCIDIFJH-UHFFFAOYSA-N 1 0 312.363 4.067 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2cc(C#N)cs2)c1 ZINC000544367272 341078377 /nfs/dbraw/zinc/07/83/77/341078377.db2.gz UTOGDPKSNQAEQA-SCLBCKFNSA-N 1 0 312.438 4.211 20 30 DIEDRO COc1ccc(C2(C[NH2+][C@@H](C)c3cccc(C#N)c3)CCC2)cc1 ZINC000544375364 341079024 /nfs/dbraw/zinc/07/90/24/341079024.db2.gz UGEFKAWMMPPXMC-INIZCTEOSA-N 1 0 320.436 4.339 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000544384104 341079565 /nfs/dbraw/zinc/07/95/65/341079565.db2.gz BGBGIQKYFKQVEY-CKJXQJPGSA-N 1 0 320.436 4.443 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000544575911 341086774 /nfs/dbraw/zinc/08/67/74/341086774.db2.gz IKNMDHBTZTUJJC-VQIMIIECSA-N 1 0 308.425 4.311 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000544575908 341086796 /nfs/dbraw/zinc/08/67/96/341086796.db2.gz IKNMDHBTZTUJJC-APWZRJJASA-N 1 0 308.425 4.311 20 30 DIEDRO CC[C@@H](CSc1ccccc1)[NH2+]Cc1cc(C#N)cs1 ZINC000131723972 341110038 /nfs/dbraw/zinc/11/00/38/341110038.db2.gz VCRMOMOYWCEHOX-AWEZNQCLSA-N 1 0 302.468 4.280 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545157460 341110711 /nfs/dbraw/zinc/11/07/11/341110711.db2.gz JKLQJYCMDCVNPX-WMZOPIPTSA-N 1 0 317.864 4.497 20 30 DIEDRO CC(C)CC[C@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000545242056 341116807 /nfs/dbraw/zinc/11/68/07/341116807.db2.gz NWPFNJCULPNENG-ZLPCBKJTSA-N 1 0 315.461 4.058 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545865816 341143601 /nfs/dbraw/zinc/14/36/01/341143601.db2.gz YDTIFRYWKOZRON-IYOUNJFTSA-N 1 0 317.864 4.353 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1cccc(C#N)c1 ZINC000545941083 341147448 /nfs/dbraw/zinc/14/74/48/341147448.db2.gz HVXFMCSDBHRTDH-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCSCC#N ZINC000074989668 341159151 /nfs/dbraw/zinc/15/91/51/341159151.db2.gz IEUHBXPVTLXJAU-QZTJIDSGSA-N 1 0 302.487 4.291 20 30 DIEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000546667799 341178067 /nfs/dbraw/zinc/17/80/67/341178067.db2.gz FJRKWTJNIRAIRO-AWEZNQCLSA-N 1 0 307.846 4.095 20 30 DIEDRO C=CCN(Cc1cccs1)Cc1nccn1Cc1ccccc1 ZINC000075608714 341179502 /nfs/dbraw/zinc/17/95/02/341179502.db2.gz MKZOAOWDFYTHOJ-UHFFFAOYSA-N 1 0 323.465 4.181 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000075755635 341182000 /nfs/dbraw/zinc/18/20/00/341182000.db2.gz ZQGFKPUWGCEOMQ-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000236701480 341195541 /nfs/dbraw/zinc/19/55/41/341195541.db2.gz QQCVCBCCIOXDSD-KRWDZBQOSA-N 1 0 302.418 4.116 20 30 DIEDRO CC(C)(Cc1ccccc1Cl)[NH2+]Cc1cc(C#N)cs1 ZINC000236772495 341199358 /nfs/dbraw/zinc/19/93/58/341199358.db2.gz XQMZDZTVEUVXAB-UHFFFAOYSA-N 1 0 304.846 4.384 20 30 DIEDRO CCCOc1ccc2c(c1)CC[N@@H+](CCCC(C)(C)C#N)C2 ZINC000134513408 341216738 /nfs/dbraw/zinc/21/67/38/341216738.db2.gz VXUNOKRRTPHMMJ-UHFFFAOYSA-N 1 0 300.446 4.163 20 30 DIEDRO C[C@@H]1C[C@H](C)[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000547770082 341231576 /nfs/dbraw/zinc/23/15/76/341231576.db2.gz FKWCNPWONUBVGO-HDICACEKSA-N 1 0 304.437 4.369 20 30 DIEDRO CC[C@](C)(NCC#Cc1ccccc1Cl)c1nccs1 ZINC000135197707 341233109 /nfs/dbraw/zinc/23/31/09/341233109.db2.gz JDXFNYQMBYESCN-INIZCTEOSA-N 1 0 304.846 4.063 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1OC(F)F ZINC000135674833 341243765 /nfs/dbraw/zinc/24/37/65/341243765.db2.gz DJSOJRXKQRGISU-JTQLQIEISA-N 1 0 308.353 4.072 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(OC(F)F)c1 ZINC000135679902 341244033 /nfs/dbraw/zinc/24/40/33/341244033.db2.gz CIYWCFNDRVWAGC-SNVBAGLBSA-N 1 0 308.353 4.072 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000136729789 341266195 /nfs/dbraw/zinc/26/61/95/341266195.db2.gz RRECVFFTOQXUDN-SFHVURJKSA-N 1 0 315.457 4.223 20 30 DIEDRO C=CCCc1ccccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548876734 341279305 /nfs/dbraw/zinc/27/93/05/341279305.db2.gz CSKJWEHDGVEJKQ-UHFFFAOYSA-N 1 0 314.473 4.398 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000548885028 341279859 /nfs/dbraw/zinc/27/98/59/341279859.db2.gz UNTZPPYZTPEJRL-XTVVNEHGSA-N 1 0 310.441 4.026 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000548936552 341281665 /nfs/dbraw/zinc/28/16/65/341281665.db2.gz HPLXENAVWBXCBO-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO C=CCC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549035759 341284156 /nfs/dbraw/zinc/28/41/56/341284156.db2.gz IVZLVXDUYNDPIQ-IRXDYDNUSA-N 1 0 310.844 4.169 20 30 DIEDRO CO[C@H](C[N@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000549350390 341292007 /nfs/dbraw/zinc/29/20/07/341292007.db2.gz WDNXFINNMJLYNP-HXUWFJFHSA-N 1 0 308.425 4.156 20 30 DIEDRO C=C(C)CC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000549474043 341295459 /nfs/dbraw/zinc/29/54/59/341295459.db2.gz YGDLUNFIXSHUJO-ROUUACIJSA-N 1 0 308.416 4.044 20 30 DIEDRO N#CCCOCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000549535589 341296647 /nfs/dbraw/zinc/29/66/47/341296647.db2.gz GQKOVLVHESYXTP-QGZVFWFLSA-N 1 0 306.837 4.091 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000549537279 341296778 /nfs/dbraw/zinc/29/67/78/341296778.db2.gz XYYBXLLYTMBYRD-FZKQIMNGSA-N 1 0 312.363 4.336 20 30 DIEDRO N#CCCOCC[N@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC000549870423 341305761 /nfs/dbraw/zinc/30/57/61/341305761.db2.gz YXZLPMVZYWXSHW-KRWDZBQOSA-N 1 0 320.864 4.057 20 30 DIEDRO CC(C)C1([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000549878033 341305815 /nfs/dbraw/zinc/30/58/15/341305815.db2.gz RQBQXRVBSXVEPY-UHFFFAOYSA-N 1 0 320.436 4.415 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000549936195 341307491 /nfs/dbraw/zinc/30/74/91/341307491.db2.gz QVPUTCWFCQZZKD-VQTJNVASSA-N 1 0 324.399 4.117 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1cccc(C#N)c1 ZINC000245835808 341315799 /nfs/dbraw/zinc/31/57/99/341315799.db2.gz CNWLUCMHYWNSRV-BMGDILEWSA-N 1 0 300.446 4.050 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000246114066 341327315 /nfs/dbraw/zinc/32/73/15/341327315.db2.gz ILLBNGHLZGPWHK-NVGVWMPQSA-N 1 0 300.789 4.292 20 30 DIEDRO COc1ccc(C[N@H+]([C@@H](C)c2ccccc2)C2CC2)cc1C#N ZINC000551007562 341328904 /nfs/dbraw/zinc/32/89/04/341328904.db2.gz IOEPQHLUOHZHTA-HNNXBMFYSA-N 1 0 306.409 4.292 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000551242230 341335183 /nfs/dbraw/zinc/33/51/83/341335183.db2.gz YSCWQLMBPNMCCB-KRWDZBQOSA-N 1 0 317.864 4.355 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000551241893 341335188 /nfs/dbraw/zinc/33/51/88/341335188.db2.gz XHBOPNMQNFXZGR-CYBMUJFWSA-N 1 0 300.446 4.169 20 30 DIEDRO CCOc1ccccc1[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551565219 341345769 /nfs/dbraw/zinc/34/57/69/341345769.db2.gz SCFKORFKTRDRLF-HNNXBMFYSA-N 1 0 306.409 4.297 20 30 DIEDRO Cc1ccsc1CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000564381409 341348658 /nfs/dbraw/zinc/34/86/58/341348658.db2.gz VUCUYUCTBUSMGP-UHFFFAOYSA-N 1 0 324.371 4.279 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccco1 ZINC000552032931 341363274 /nfs/dbraw/zinc/36/32/74/341363274.db2.gz CVOCUWTZTAQYEG-MJGOQNOKSA-N 1 0 310.441 4.403 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)c(OC(C)(C)C)c1 ZINC000084958735 341363943 /nfs/dbraw/zinc/36/39/43/341363943.db2.gz PNRQHUGMINKTMA-UHFFFAOYSA-N 1 0 314.454 4.395 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1F)c1ccco1 ZINC000552252456 341381509 /nfs/dbraw/zinc/38/15/09/341381509.db2.gz OCOXYKZNIDHPSH-GDBMZVCRSA-N 1 0 303.377 4.483 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1F)c1ccco1 ZINC000552252459 341381527 /nfs/dbraw/zinc/38/15/27/341381527.db2.gz OCOXYKZNIDHPSH-ZBFHGGJFSA-N 1 0 303.377 4.483 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000248740457 341385635 /nfs/dbraw/zinc/38/56/35/341385635.db2.gz FAHVPMNUMSMDHH-KPFFTGBYSA-N 1 0 311.473 4.413 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1 ZINC000552312186 341385697 /nfs/dbraw/zinc/38/56/97/341385697.db2.gz VWPDBQFLVAPKNI-QGZVFWFLSA-N 1 0 304.397 4.088 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000249059185 341392996 /nfs/dbraw/zinc/39/29/96/341392996.db2.gz ZLNCFWJXJNXBPD-IVMMDQJWSA-N 1 0 304.821 4.226 20 30 DIEDRO C=CC[NH+](CC=C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000552436843 341393732 /nfs/dbraw/zinc/39/37/32/341393732.db2.gz AGEQUWIFRHXOGA-UHFFFAOYSA-N 1 0 303.409 4.175 20 30 DIEDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000249286402 341396022 /nfs/dbraw/zinc/39/60/22/341396022.db2.gz PPMOXFDEEMYCGP-DNVCBOLYSA-N 1 0 306.409 4.117 20 30 DIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000552502506 341396651 /nfs/dbraw/zinc/39/66/51/341396651.db2.gz ZLZQIWBPINLZJA-SFHVURJKSA-N 1 0 322.880 4.051 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2ccccc2C1 ZINC000552968986 341411121 /nfs/dbraw/zinc/41/11/21/341411121.db2.gz FKPAZTLICNGDIZ-TZIWHRDSSA-N 1 0 302.421 4.083 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044505 341412832 /nfs/dbraw/zinc/41/28/32/341412832.db2.gz VOAUTFRTGNYXAH-OAHLLOKOSA-N 1 0 315.486 4.472 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000553176405 341418885 /nfs/dbraw/zinc/41/88/85/341418885.db2.gz AQLZUNJJQAPMII-GOSISDBHSA-N 1 0 301.474 4.455 20 30 DIEDRO Cc1ncsc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091068169 341421846 /nfs/dbraw/zinc/42/18/46/341421846.db2.gz SPKJJNXEAQXXHM-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000565098807 341516954 /nfs/dbraw/zinc/51/69/54/341516954.db2.gz RENIXNDPLWBBCH-CYBMUJFWSA-N 1 0 318.342 4.470 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)c(Cl)c1 ZINC000566219071 341551056 /nfs/dbraw/zinc/55/10/56/341551056.db2.gz ADMQZUGGNYVCGK-ZDUSSCGKSA-N 1 0 314.816 4.265 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000566415550 341557138 /nfs/dbraw/zinc/55/71/38/341557138.db2.gz GJVTVORHNGISQZ-UHFFFAOYSA-N 1 0 323.440 4.013 20 30 DIEDRO CCCOc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000153596639 341575564 /nfs/dbraw/zinc/57/55/64/341575564.db2.gz QQBPTQNUXRPBGV-UHFFFAOYSA-N 1 0 300.427 4.007 20 30 DIEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000154136699 341585369 /nfs/dbraw/zinc/58/53/69/341585369.db2.gz INWITPQVMKSWSO-SJORKVTESA-N 1 0 316.445 4.046 20 30 DIEDRO CC[C@@H](C)c1ccc([C@H]([NH2+]CCOCCC#N)C(C)C)cc1 ZINC000567357957 341598295 /nfs/dbraw/zinc/59/82/95/341598295.db2.gz OSEHDMZRLUEPOO-VQIMIIECSA-N 1 0 302.462 4.417 20 30 DIEDRO Cc1cccnc1C(C)(C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000567970564 341643346 /nfs/dbraw/zinc/64/33/46/341643346.db2.gz IEKHPOCVDSNIPY-CQSZACIVSA-N 1 0 311.404 4.029 20 30 DIEDRO CCc1cccc(Cl)c1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000568451566 341671747 /nfs/dbraw/zinc/67/17/47/341671747.db2.gz FRLGMFOHGCINJS-UHFFFAOYSA-N 1 0 314.816 4.072 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccc(O)c1 ZINC000574491857 341760191 /nfs/dbraw/zinc/76/01/91/341760191.db2.gz FOGPXVSLNLHEMV-NSHDSACASA-N 1 0 320.314 4.133 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000336720313 341804566 /nfs/dbraw/zinc/80/45/66/341804566.db2.gz SWNJNWOAKCTQMR-UHFFFAOYSA-N 1 0 306.409 4.049 20 30 DIEDRO C[C@@H](CC[NH2+]Cc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000173571618 341817821 /nfs/dbraw/zinc/81/78/21/341817821.db2.gz SPHUFUVXLWVEIZ-LBPRGKRZSA-N 1 0 322.330 4.453 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000174446834 341827167 /nfs/dbraw/zinc/82/71/67/341827167.db2.gz BZNWDLQMYYUPSX-HNNXBMFYSA-N 1 0 319.880 4.228 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)[C@@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000576577326 341853017 /nfs/dbraw/zinc/85/30/17/341853017.db2.gz URYAYTDQWMXRJW-ZOWXZIJZSA-N 1 0 301.352 4.072 20 30 DIEDRO N#Cc1csc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1 ZINC000177694426 341924181 /nfs/dbraw/zinc/92/41/81/341924181.db2.gz GQQWITYFXRIASC-UHFFFAOYSA-N 1 0 300.402 4.318 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3ccnc4ccccc43)CC2)C1 ZINC000578023104 341973147 /nfs/dbraw/zinc/97/31/47/341973147.db2.gz PCOWJDBKDZQLDU-WBVHZDCISA-N 1 0 305.425 4.106 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccc(F)cc2O1 ZINC000372781991 517515026 /nfs/dbraw/zinc/51/50/26/517515026.db2.gz FWVYMWUJABZUKB-QGZVFWFLSA-N 1 0 310.372 4.089 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447536077 517772827 /nfs/dbraw/zinc/77/28/27/517772827.db2.gz KVRDUUGQLMPFKH-MGPUTAFESA-N 1 0 324.424 4.075 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)o1)c1ccc(OC(F)(F)F)cc1 ZINC000188901071 519320723 /nfs/dbraw/zinc/32/07/23/519320723.db2.gz ORLGRMWWVSMOND-UHFFFAOYSA-N 1 0 324.302 4.075 20 30 DIEDRO CCCOCc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181530260 520262355 /nfs/dbraw/zinc/26/23/55/520262355.db2.gz MCJMBYXRYGYFOQ-MRXNPFEDSA-N 1 0 308.425 4.336 20 30 DIEDRO CC[N@H+](Cc1ccccc1NC(C)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000119878594 521384343 /nfs/dbraw/zinc/38/43/43/521384343.db2.gz NIZWNTXMFZCHBK-OAHLLOKOSA-N 1 0 321.424 4.100 20 30 DIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2ccc(C#N)s2)c1C ZINC000267195086 525414614 /nfs/dbraw/zinc/41/46/14/525414614.db2.gz NDHJEGPWTIQNPW-UHFFFAOYSA-N 1 0 309.438 4.316 20 30 DIEDRO C[C@@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1ccc(C#N)cc1 ZINC000336964428 525443024 /nfs/dbraw/zinc/44/30/24/525443024.db2.gz HVKAPCAKQJOOIY-CQSZACIVSA-N 1 0 321.399 4.462 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cc(Cl)ccc1Cl ZINC000191617697 525511028 /nfs/dbraw/zinc/51/10/28/525511028.db2.gz GTPPRLCWBNBECW-SNVBAGLBSA-N 1 0 308.212 4.054 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1ccc(C#N)cc1 ZINC000337405284 525561047 /nfs/dbraw/zinc/56/10/47/525561047.db2.gz SYOOTMWGUVNZQF-ZAAXVRCTSA-N 1 0 305.425 4.330 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1cccc(C#N)c1 ZINC000181320387 525609747 /nfs/dbraw/zinc/60/97/47/525609747.db2.gz YOHSFQIZZXKUAI-UGSOOPFHSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000158085680 525627026 /nfs/dbraw/zinc/62/70/26/525627026.db2.gz MNOIUJDFCRKTQZ-YSSFQJQWSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000265475199 526043495 /nfs/dbraw/zinc/04/34/95/526043495.db2.gz JZAWKDPGLDJZNS-IERDGZPVSA-N 1 0 320.436 4.065 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337492260 526690743 /nfs/dbraw/zinc/69/07/43/526690743.db2.gz ADXXXLPZLIJCTL-WOJBJXKFSA-N 1 0 324.468 4.265 20 30 DIEDRO Cn1cc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1C#N ZINC000190899684 527221513 /nfs/dbraw/zinc/22/15/13/527221513.db2.gz ZIIJGQRTFQZNOE-IBGZPJMESA-N 1 0 311.404 4.057 20 30 DIEDRO CCOCCC1(C[NH2+][C@H](CC)c2ccc(C#N)cc2)CCC1 ZINC000278652534 535488989 /nfs/dbraw/zinc/48/89/89/535488989.db2.gz IFSORVAZPULEHQ-GOSISDBHSA-N 1 0 300.446 4.196 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(OC)cc1 ZINC000272179882 535893347 /nfs/dbraw/zinc/89/33/47/535893347.db2.gz FNRSPQCCHQXMPO-IBGZPJMESA-N 1 0 306.409 4.297 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)CC[S@@](C)=O)c1cccc(Cl)c1 ZINC000903125334 1046169046 /nfs/dbraw/zinc/16/90/46/1046169046.db2.gz MSOJPIDOTGTAPE-ZSOFBXJNSA-N 1 0 313.894 4.094 20 30 DIEDRO CC(C)([NH2+]C1CCC(C#N)CC1)c1ccccc1Br ZINC001256958019 1063057283 /nfs/dbraw/zinc/05/72/83/1063057283.db2.gz RDIFXEWAYDJTTJ-UHFFFAOYSA-N 1 0 321.262 4.356 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cc(C#N)cs1 ZINC000579818404 1035706516 /nfs/dbraw/zinc/70/65/16/1035706516.db2.gz JIOAQDVPGBRAEC-INIZCTEOSA-N 1 0 300.427 4.211 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H]2C2CCC2)c1O ZINC000728197318 1035725053 /nfs/dbraw/zinc/72/50/53/1035725053.db2.gz VBNONNQLGHOHDA-IBGZPJMESA-N 1 0 315.457 4.284 20 30 DIEDRO CC[N@H+](Cc1cccc(N(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000610211603 1035737336 /nfs/dbraw/zinc/73/73/36/1035737336.db2.gz SFDRKJDOPNLELI-MRXNPFEDSA-N 1 0 307.441 4.207 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1cc(C)ccc1O)c1ccc(F)c(F)c1 ZINC000187370989 1035773490 /nfs/dbraw/zinc/77/34/90/1035773490.db2.gz OCWAKZZDSOOQBG-GOSISDBHSA-N 1 0 303.352 4.386 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000154331649 1035869049 /nfs/dbraw/zinc/86/90/49/1035869049.db2.gz KGQCSJDLHCISPB-ZIAGYGMSSA-N 1 0 309.369 4.187 20 30 DIEDRO N#Cc1ccc(CCC[NH+]2CCC3(CC(F)(F)C3)CC2)cc1 ZINC001208857234 1035881012 /nfs/dbraw/zinc/88/10/12/1035881012.db2.gz YEUZHUFCEZMFSE-UHFFFAOYSA-N 1 0 304.384 4.002 20 30 DIEDRO C=CCCC[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001209156588 1036034519 /nfs/dbraw/zinc/03/45/19/1036034519.db2.gz DVAPMNAAYSFNRS-UHFFFAOYSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCC[N@@H+](C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209207905 1036061596 /nfs/dbraw/zinc/06/15/96/1036061596.db2.gz HNOYZCMCZSAEQJ-MRXNPFEDSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(Oc2ccnc(OC)c2)CC1 ZINC001209438516 1036182026 /nfs/dbraw/zinc/18/20/26/1036182026.db2.gz MUGOMOYZPMYHLB-UHFFFAOYSA-N 1 0 318.461 4.070 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001209439754 1036185519 /nfs/dbraw/zinc/18/55/19/1036185519.db2.gz XVGQZXKDPWMVQW-FQEVSTJZSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC2(C[C@@H]2C(=O)N(C)C)CC1 ZINC001209444034 1036191613 /nfs/dbraw/zinc/19/16/13/1036191613.db2.gz LJFXOEFSRISHMJ-GOSISDBHSA-N 1 0 320.521 4.093 20 30 DIEDRO COCC[N@H+](Cc1c(C)cc(C#N)cc1C)[C@@H](C)c1ccccc1 ZINC001167248262 1036319221 /nfs/dbraw/zinc/31/92/21/1036319221.db2.gz KQYZAQZQIATUSA-SFHVURJKSA-N 1 0 322.452 4.385 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(CC(C)C)cc2)ccc1C#N ZINC000578582316 1036392537 /nfs/dbraw/zinc/39/25/37/1036392537.db2.gz DEFONXLLKGAZFS-UHFFFAOYSA-N 1 0 308.425 4.055 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000610271332 1036407445 /nfs/dbraw/zinc/40/74/45/1036407445.db2.gz CIWHSHMKEOHURW-IPMKNSEASA-N 1 0 312.457 4.428 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000608861115 1036478173 /nfs/dbraw/zinc/47/81/73/1036478173.db2.gz UIDFHANEKQVMLT-UHFFFAOYSA-N 1 0 308.425 4.394 20 30 DIEDRO N#Cc1c(F)cccc1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000610279235 1036501411 /nfs/dbraw/zinc/50/14/11/1036501411.db2.gz CVDVYGUIPLUUKX-HXUWFJFHSA-N 1 0 323.415 4.336 20 30 DIEDRO C#CC[N@@H+](CCSc1ccc(OC)cc1)C1CCCCC1 ZINC001204496327 1036557547 /nfs/dbraw/zinc/55/75/47/1036557547.db2.gz FUFLFSRHHVIILS-UHFFFAOYSA-N 1 0 303.471 4.055 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)ccc1F ZINC001167303216 1036560613 /nfs/dbraw/zinc/56/06/13/1036560613.db2.gz YHYJCAYZGXOXEI-GOSISDBHSA-N 1 0 308.400 4.467 20 30 DIEDRO CCCOCc1ccccc1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001648826358 1036600106 /nfs/dbraw/zinc/60/01/06/1036600106.db2.gz BZSBPRKXAJKPFZ-UHFFFAOYSA-N 1 0 322.452 4.392 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1OC ZINC000579977297 1036673200 /nfs/dbraw/zinc/67/32/00/1036673200.db2.gz DPYYLTKEZVNFKI-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001167331864 1036777860 /nfs/dbraw/zinc/77/78/60/1036777860.db2.gz BOXSEPGUYWYWPJ-FQEVSTJZSA-N 1 0 320.436 4.337 20 30 DIEDRO CC(C)c1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000610344761 1036838109 /nfs/dbraw/zinc/83/81/09/1036838109.db2.gz HHUFJKKKVSCELR-CQSZACIVSA-N 1 0 323.396 4.441 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000610344896 1036839450 /nfs/dbraw/zinc/83/94/50/1036839450.db2.gz KWWVIBBUMBMYQD-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO CCCOc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000610346102 1036840758 /nfs/dbraw/zinc/84/07/58/1036840758.db2.gz LEXNBAGQRNMTPQ-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCSc3c(F)cccc32)c1 ZINC000177682875 1036850889 /nfs/dbraw/zinc/85/08/89/1036850889.db2.gz UELRPGOZACDRSA-CQSZACIVSA-N 1 0 304.415 4.086 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccc2cnccc2c1)C(C)C ZINC000683765209 1036858832 /nfs/dbraw/zinc/85/88/32/1036858832.db2.gz GYNTUBNACKDMHD-NRFANRHFSA-N 1 0 323.484 4.023 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000683780434 1036903548 /nfs/dbraw/zinc/90/35/48/1036903548.db2.gz IHNSXFSRWIGXFO-FQEVSTJZSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000683780435 1036904324 /nfs/dbraw/zinc/90/43/24/1036904324.db2.gz IHNSXFSRWIGXFO-HXUWFJFHSA-N 1 0 320.521 4.236 20 30 DIEDRO CCC(C)(C)CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000610368609 1036911712 /nfs/dbraw/zinc/91/17/12/1036911712.db2.gz DCKHIRYXNRZNOT-UHFFFAOYSA-N 1 0 300.446 4.228 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000580133661 1036971408 /nfs/dbraw/zinc/97/14/08/1036971408.db2.gz UZCWMAWHXKGAKG-QGZVFWFLSA-N 1 0 302.462 4.056 20 30 DIEDRO C=CCCCCC[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001167360948 1036979241 /nfs/dbraw/zinc/97/92/41/1036979241.db2.gz VYFGGDJOCMKCTO-INIZCTEOSA-N 1 0 322.443 4.390 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC001167371277 1037012331 /nfs/dbraw/zinc/01/23/31/1037012331.db2.gz BHHKRFKIHOZTKW-HXUWFJFHSA-N 1 0 308.425 4.396 20 30 DIEDRO COc1cc(C[NH2+]Cc2cccc3ccccc32)ccc1C#N ZINC000391228066 1037042484 /nfs/dbraw/zinc/04/24/84/1037042484.db2.gz GERZFMKILKCVGW-UHFFFAOYSA-N 1 0 302.377 4.010 20 30 DIEDRO CC(C)c1ccccc1OCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000579532740 1037045814 /nfs/dbraw/zinc/04/58/14/1037045814.db2.gz OXTDLYFDULKJPN-HXUWFJFHSA-N 1 0 320.436 4.338 20 30 DIEDRO CSCc1cc(F)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000124898175 1037053515 /nfs/dbraw/zinc/05/35/15/1037053515.db2.gz BONPVZNVWIFWDF-CYBMUJFWSA-N 1 0 314.429 4.411 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)oc1C ZINC001204535804 1037099608 /nfs/dbraw/zinc/09/96/08/1037099608.db2.gz YPLGUNRHTBZMTQ-UHFFFAOYSA-N 1 0 308.425 4.223 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000610447704 1037208113 /nfs/dbraw/zinc/20/81/13/1037208113.db2.gz APBJTWYXVXAXJE-RBUKOAKNSA-N 1 0 314.473 4.416 20 30 DIEDRO COc1cccc(C[N@H+](CCCC(C)(C)C#N)CC(C)C)c1 ZINC000610447543 1037210506 /nfs/dbraw/zinc/21/05/06/1037210506.db2.gz LPPKHPWVVXUEFW-UHFFFAOYSA-N 1 0 302.462 4.483 20 30 DIEDRO CCCn1nc(C)c(C[N@H+](CCC)Cc2ccc(C#N)cc2)c1C ZINC000119248821 1037229064 /nfs/dbraw/zinc/22/90/64/1037229064.db2.gz SGFZBRPSMIQTIS-UHFFFAOYSA-N 1 0 324.472 4.194 20 30 DIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000728302546 1037229816 /nfs/dbraw/zinc/22/98/16/1037229816.db2.gz UIRSBWFHCSINQM-UYAOXDASSA-N 1 0 313.489 4.485 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000580790769 1037298721 /nfs/dbraw/zinc/29/87/21/1037298721.db2.gz OZHWKNSRXNZJLG-INIZCTEOSA-N 1 0 324.424 4.075 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000580824165 1037318173 /nfs/dbraw/zinc/31/81/73/1037318173.db2.gz SHBOPAFVEHXRKI-RBSFLKMASA-N 1 0 301.409 4.263 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c(F)c1 ZINC000177860838 1037353418 /nfs/dbraw/zinc/35/34/18/1037353418.db2.gz WRUFUNIIMKXPTP-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OC)cc1 ZINC000177856669 1037363633 /nfs/dbraw/zinc/36/36/33/1037363633.db2.gz OCKXCSNWBBMFEY-LJQANCHMSA-N 1 0 312.388 4.337 20 30 DIEDRO CCCCCCC[NH2+]Cc1c(O)cccc1Br ZINC000706854153 1037501933 /nfs/dbraw/zinc/50/19/33/1037501933.db2.gz PVNXFDLSUJTUIZ-UHFFFAOYSA-N 1 0 300.240 4.215 20 30 DIEDRO Cc1csc(C[C@@H]2CC[N@H+](CCC3(C#N)CCCCC3)C2)n1 ZINC000933125907 1037511039 /nfs/dbraw/zinc/51/10/39/1037511039.db2.gz LKEKINRPPYTPGG-INIZCTEOSA-N 1 0 317.502 4.180 20 30 DIEDRO C=CCOCCC[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000684205025 1037546236 /nfs/dbraw/zinc/54/62/36/1037546236.db2.gz KYQLTLVBJVGKDY-OAHLLOKOSA-N 1 0 312.251 4.083 20 30 DIEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000684207555 1037558118 /nfs/dbraw/zinc/55/81/18/1037558118.db2.gz VOXDKONOTPUHRC-PMACEKPBSA-N 1 0 317.473 4.292 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC001167461726 1037636667 /nfs/dbraw/zinc/63/66/67/1037636667.db2.gz QFQYFAPXPBQELG-GOSISDBHSA-N 1 0 302.462 4.390 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC001167461531 1037637177 /nfs/dbraw/zinc/63/71/77/1037637177.db2.gz LKYYKRIJXQLSEN-UHFFFAOYSA-N 1 0 317.408 4.362 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)c1C ZINC001167465165 1037669138 /nfs/dbraw/zinc/66/91/38/1037669138.db2.gz VKAJPGLUIYFCDK-SFTDATJTSA-N 1 0 320.436 4.046 20 30 DIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000610511987 1037767639 /nfs/dbraw/zinc/76/76/39/1037767639.db2.gz NUGSRBNQHZSHEE-MRXNPFEDSA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCC[N@@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000276427521 1037842030 /nfs/dbraw/zinc/84/20/30/1037842030.db2.gz NCAZHRMTOKMIET-UHFFFAOYSA-N 1 0 321.635 4.093 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccco1 ZINC000276458334 1037883563 /nfs/dbraw/zinc/88/35/63/1037883563.db2.gz NMWFANSMGGJNDC-QGZVFWFLSA-N 1 0 311.429 4.072 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1ccco1 ZINC000276500332 1037912831 /nfs/dbraw/zinc/91/28/31/1037912831.db2.gz WWRGMVWYCFOZIL-SFHVURJKSA-N 1 0 312.413 4.078 20 30 DIEDRO C[C@H](C#N)CNc1ccnc2ccc(Oc3ccccc3)cc21 ZINC000581704196 1037929231 /nfs/dbraw/zinc/92/92/31/1037929231.db2.gz VQNNQTQPTXOUEK-CQSZACIVSA-N 1 0 303.365 4.021 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CC2)cc1 ZINC000598037985 1038002728 /nfs/dbraw/zinc/00/27/28/1038002728.db2.gz LCOIHLSSLVLHML-UHFFFAOYSA-N 1 0 309.409 4.039 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000602455133 1038005294 /nfs/dbraw/zinc/00/52/94/1038005294.db2.gz VLPFLHCOOGJDSF-BHIYHBOVSA-N 1 0 300.446 4.026 20 30 DIEDRO CC[N@H+]([C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1cnc(C)nc1C ZINC000602442949 1038005772 /nfs/dbraw/zinc/00/57/72/1038005772.db2.gz CYYDKXDDXFTMGB-CABCVRRESA-N 1 0 308.429 4.109 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)nc1 ZINC000602444164 1038010543 /nfs/dbraw/zinc/01/05/43/1038010543.db2.gz MWAXVXIUHADNJF-UHFFFAOYSA-N 1 0 315.367 4.303 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000602456675 1038014529 /nfs/dbraw/zinc/01/45/29/1038014529.db2.gz CEJBLKLONOLORV-WBVHZDCISA-N 1 0 324.428 4.203 20 30 DIEDRO CO[C@H](C[NH+]1CCC(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000564916279 1038014417 /nfs/dbraw/zinc/01/44/17/1038014417.db2.gz WOSOBBZMEWTUSG-QGZVFWFLSA-N 1 0 306.837 4.043 20 30 DIEDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](C)CCC#N)oc21 ZINC000602501367 1038017619 /nfs/dbraw/zinc/01/76/19/1038017619.db2.gz GHUJWPDERCCAQP-ZIAGYGMSSA-N 1 0 300.402 4.422 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(C#N)CC1 ZINC000602515845 1038025914 /nfs/dbraw/zinc/02/59/14/1038025914.db2.gz ZXWXTIHKXMRQTP-YGONEPDPSA-N 1 0 321.262 4.052 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000602516198 1038026153 /nfs/dbraw/zinc/02/61/53/1038026153.db2.gz JNAAWYLHMIJGNR-GOSISDBHSA-N 1 0 311.404 4.359 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000602519065 1038026203 /nfs/dbraw/zinc/02/62/03/1038026203.db2.gz VASHLCOJUJZYDX-INIZCTEOSA-N 1 0 324.424 4.135 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000602520512 1038026850 /nfs/dbraw/zinc/02/68/50/1038026850.db2.gz HDBIPWYBMQTUHH-STQMWFEESA-N 1 0 314.351 4.218 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)CCC#N)ccc1OC(C)C ZINC000602511744 1038030095 /nfs/dbraw/zinc/03/00/95/1038030095.db2.gz TXXAWGAXZOLCLB-HUUCEWRRSA-N 1 0 304.434 4.073 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602511434 1038032464 /nfs/dbraw/zinc/03/24/64/1038032464.db2.gz RNNSELNNNGQHKW-IEBWSBKVSA-N 1 0 314.473 4.115 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](C)CCC#N)c(C)c2c1 ZINC000602538434 1038032920 /nfs/dbraw/zinc/03/29/20/1038032920.db2.gz LVVSZIZOUQMHTO-OCCSQVGLSA-N 1 0 300.402 4.340 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000602525035 1038032996 /nfs/dbraw/zinc/03/29/96/1038032996.db2.gz PWHHHWIMHZIFRR-MRXNPFEDSA-N 1 0 314.473 4.173 20 30 DIEDRO COc1ccccc1[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602549347 1038033071 /nfs/dbraw/zinc/03/30/71/1038033071.db2.gz ULYCDNLFYNJHTF-IAYYMHMVSA-N 1 0 320.436 4.457 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2cccc(C#N)n2)cc1 ZINC000602540182 1038033304 /nfs/dbraw/zinc/03/33/04/1038033304.db2.gz WZARZGBLOXZKMB-UHFFFAOYSA-N 1 0 323.440 4.013 20 30 DIEDRO COc1ccccc1SC[C@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602539057 1038034013 /nfs/dbraw/zinc/03/40/13/1038034013.db2.gz ATYAOFDKNHSHOZ-QQFBHYJXSA-N 1 0 318.486 4.095 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000602545999 1038034417 /nfs/dbraw/zinc/03/44/17/1038034417.db2.gz AIEXBHYSWTZTPG-OAHLLOKOSA-N 1 0 318.207 4.037 20 30 DIEDRO COc1ccccc1[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602546698 1038034792 /nfs/dbraw/zinc/03/47/92/1038034792.db2.gz FDBFVZSBQBUJMJ-JXFKEZNVSA-N 1 0 308.425 4.314 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000602539087 1038035131 /nfs/dbraw/zinc/03/51/31/1038035131.db2.gz BNZQIYLEEJWLLA-GOSISDBHSA-N 1 0 311.816 4.238 20 30 DIEDRO N#CC1CCC([NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000602533856 1038036443 /nfs/dbraw/zinc/03/64/43/1038036443.db2.gz PQFHUERIBPFCEK-UHFFFAOYSA-N 1 0 301.821 4.036 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000602559092 1038036885 /nfs/dbraw/zinc/03/68/85/1038036885.db2.gz BTSLCMYDOCIDCT-UHFFFAOYSA-N 1 0 314.763 4.113 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H](C)CCC#N ZINC000602531232 1038037105 /nfs/dbraw/zinc/03/71/05/1038037105.db2.gz UMIWEBBKPBXACJ-UONOGXRCSA-N 1 0 323.278 4.300 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC(C#N)CC1 ZINC000602536424 1038037418 /nfs/dbraw/zinc/03/74/18/1038037418.db2.gz TVEDCOCUCCJAKK-YGONEPDPSA-N 1 0 310.363 4.308 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000602561000 1038038478 /nfs/dbraw/zinc/03/84/78/1038038478.db2.gz PFOOSHJNDJWCRV-ZJUUUORDSA-N 1 0 305.369 4.142 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000602556848 1038038580 /nfs/dbraw/zinc/03/85/80/1038038580.db2.gz WEIJHMKGZKAELM-QFBILLFUSA-N 1 0 300.446 4.000 20 30 DIEDRO N#CC1CCC([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC1 ZINC000602557320 1038038756 /nfs/dbraw/zinc/03/87/56/1038038756.db2.gz ZGTFCXKOHYEJDE-OUNSHVDWSA-N 1 0 312.457 4.143 20 30 DIEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602560659 1038039128 /nfs/dbraw/zinc/03/91/28/1038039128.db2.gz ZLEHYTIKDWKWJV-PJSAGSTRSA-N 1 0 311.816 4.094 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000178178031 1038040329 /nfs/dbraw/zinc/04/03/29/1038040329.db2.gz RBBHCXODKZXNQY-HZPDHXFCSA-N 1 0 316.408 4.156 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+]C2CCC(C#N)CC2)c2ccccn2)cc1 ZINC000602551494 1038041511 /nfs/dbraw/zinc/04/15/11/1038041511.db2.gz OQRYZRJDZIANMZ-GRERDSQWSA-N 1 0 319.452 4.346 20 30 DIEDRO C[C@H]([NH2+]CCC[C@H]1CCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602600128 1038043032 /nfs/dbraw/zinc/04/30/32/1038043032.db2.gz MEYVVXYCPKVYEZ-KKSFZXQISA-N 1 0 320.436 4.445 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc2ccccc2s1 ZINC000602585004 1038046094 /nfs/dbraw/zinc/04/60/94/1038046094.db2.gz AXPBTCOWYVDGSF-AWEZNQCLSA-N 1 0 314.454 4.090 20 30 DIEDRO N#CC1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000602581424 1038046849 /nfs/dbraw/zinc/04/68/49/1038046849.db2.gz JZLOPKMTVGFFBI-PXCJXSSVSA-N 1 0 304.821 4.226 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc2ccccc2s1 ZINC000602585005 1038047455 /nfs/dbraw/zinc/04/74/55/1038047455.db2.gz AXPBTCOWYVDGSF-CQSZACIVSA-N 1 0 314.454 4.090 20 30 DIEDRO COCCCC[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602647398 1038054919 /nfs/dbraw/zinc/05/49/19/1038054919.db2.gz IHCYGPXOMGJZPB-KVZIAJEVSA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1cccc2nc(C3CC[NH+](C[C@@H](C)CCC#N)CC3)oc21 ZINC000602628067 1038059255 /nfs/dbraw/zinc/05/92/55/1038059255.db2.gz HBDZAZDREGMUCZ-AWEZNQCLSA-N 1 0 311.429 4.256 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000602671084 1038059915 /nfs/dbraw/zinc/05/99/15/1038059915.db2.gz IQOMNZYHBZVQRW-GFCCVEGCSA-N 1 0 312.335 4.104 20 30 DIEDRO C[C@@H](CCC#N)C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000602658469 1038060863 /nfs/dbraw/zinc/06/08/63/1038060863.db2.gz YIZLFFGDLVITBN-SFHVURJKSA-N 1 0 307.441 4.066 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000602665149 1038063933 /nfs/dbraw/zinc/06/39/33/1038063933.db2.gz RGFTVZRGAOWNOR-CVEARBPZSA-N 1 0 309.413 4.464 20 30 DIEDRO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602665043 1038064828 /nfs/dbraw/zinc/06/48/28/1038064828.db2.gz XQLIIEBVNGBFOV-MRXNPFEDSA-N 1 0 324.472 4.175 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000602694920 1038066522 /nfs/dbraw/zinc/06/65/22/1038066522.db2.gz PUUFNZONOZECNG-CQSZACIVSA-N 1 0 317.502 4.141 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602693159 1038067240 /nfs/dbraw/zinc/06/72/40/1038067240.db2.gz QUGZSLWEQAOKHS-HKUYNNGSSA-N 1 0 319.452 4.078 20 30 DIEDRO COc1ccc([C@H]([NH2+]C2CCC(C#N)CC2)c2ccco2)cc1 ZINC000602687003 1038067406 /nfs/dbraw/zinc/06/74/06/1038067406.db2.gz UDDNRPPCATXQKG-KJXMEXGPSA-N 1 0 310.397 4.050 20 30 DIEDRO N#CC1(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000602699115 1038069367 /nfs/dbraw/zinc/06/93/67/1038069367.db2.gz JGAMFBGLRNQARO-AZUAARDMSA-N 1 0 323.484 4.028 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000602701450 1038072608 /nfs/dbraw/zinc/07/26/08/1038072608.db2.gz SYPWAZLULPCBMC-JSGCOSHPSA-N 1 0 315.848 4.208 20 30 DIEDRO N#CCC1(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000602757470 1038085013 /nfs/dbraw/zinc/08/50/13/1038085013.db2.gz GABTWGWTZCBYEF-MRXNPFEDSA-N 1 0 314.479 4.451 20 30 DIEDRO N#CCC1(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000602797868 1038089588 /nfs/dbraw/zinc/08/95/88/1038089588.db2.gz CUNMYJOVRINEPP-CYBMUJFWSA-N 1 0 300.299 4.103 20 30 DIEDRO N#CCC1(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC000602828757 1038094493 /nfs/dbraw/zinc/09/44/93/1038094493.db2.gz GPWMZRKHRQUHFG-QGZVFWFLSA-N 1 0 304.384 4.242 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857943 1038097532 /nfs/dbraw/zinc/09/75/32/1038097532.db2.gz YVTQCKQWMCOGMA-GOSISDBHSA-N 1 0 319.452 4.262 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CC/C=C\c3ccccc3)CC2)nc1 ZINC000602906205 1038106052 /nfs/dbraw/zinc/10/60/52/1038106052.db2.gz JIOQYDCHMRBNHB-YWEYNIOJSA-N 1 0 317.436 4.236 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccs1 ZINC000598603478 1038126098 /nfs/dbraw/zinc/12/60/98/1038126098.db2.gz UKYMANJBPKBJKI-GOEBONIOSA-N 1 0 308.491 4.116 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598602242 1038126694 /nfs/dbraw/zinc/12/66/94/1038126694.db2.gz MGONKEYWVXTJAR-IAGOWNOFSA-N 1 0 302.462 4.054 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000598600849 1038127191 /nfs/dbraw/zinc/12/71/91/1038127191.db2.gz GQAMBDXLRCPVIT-RBUKOAKNSA-N 1 0 314.473 4.198 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000598586063 1038127258 /nfs/dbraw/zinc/12/72/58/1038127258.db2.gz CZGLGRZMLHZWEW-HXUWFJFHSA-N 1 0 322.452 4.105 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1CCC1 ZINC000598592549 1038128574 /nfs/dbraw/zinc/12/85/74/1038128574.db2.gz MBMNWAVXAYVQJR-LPHOPBHVSA-N 1 0 314.473 4.150 20 30 DIEDRO CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000598587281 1038129681 /nfs/dbraw/zinc/12/96/81/1038129681.db2.gz NXUKULJVFXHBHP-HOCLYGCPSA-N 1 0 314.429 4.116 20 30 DIEDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598598390 1038133117 /nfs/dbraw/zinc/13/31/17/1038133117.db2.gz FBOJXGZYINKQAT-MOPGFXCFSA-N 1 0 314.473 4.248 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000598678009 1038151455 /nfs/dbraw/zinc/15/14/55/1038151455.db2.gz SIPNXZPGZZLDQV-KLAILNCOSA-N 1 0 304.384 4.025 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C)ccc1OC ZINC000061001743 1038158389 /nfs/dbraw/zinc/15/83/89/1038158389.db2.gz NFSURYAOGIXOHF-UHFFFAOYSA-N 1 0 308.425 4.288 20 30 DIEDRO CCN(Cc1nc2cccnc2s1)[C@H](C)c1ccc(C#N)cc1 ZINC000341592225 1038159135 /nfs/dbraw/zinc/15/91/35/1038159135.db2.gz YAPQERBATZFOKJ-CYBMUJFWSA-N 1 0 322.437 4.146 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3csc(C(F)(F)F)c3)CC2)c1 ZINC000598970815 1038204745 /nfs/dbraw/zinc/20/47/45/1038204745.db2.gz PBEADWCHNBJKAP-UHFFFAOYSA-N 1 0 322.355 4.417 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000598979791 1038207226 /nfs/dbraw/zinc/20/72/26/1038207226.db2.gz PCZBRVVPRIBHFH-UHFFFAOYSA-N 1 0 302.365 4.186 20 30 DIEDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000599000651 1038209778 /nfs/dbraw/zinc/20/97/78/1038209778.db2.gz OVPDMWZWQDNNQZ-UHFFFAOYSA-N 1 0 306.400 4.403 20 30 DIEDRO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]CC(C)(C)CCC#N ZINC000599004610 1038209954 /nfs/dbraw/zinc/20/99/54/1038209954.db2.gz 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COc1ccc([C@H]([NH2+]Cc2ccc(C)c(C#N)c2)C(C)C)cc1 ZINC000599346192 1038271048 /nfs/dbraw/zinc/27/10/48/1038271048.db2.gz ALOYVXWSAOLEEI-HXUWFJFHSA-N 1 0 308.425 4.362 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1C#N ZINC000599355344 1038272667 /nfs/dbraw/zinc/27/26/67/1038272667.db2.gz ZCDBASCNTGPTIS-NQIIRXRSSA-N 1 0 320.436 4.124 20 30 DIEDRO C=CCN(C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000121631532 1038279190 /nfs/dbraw/zinc/27/91/90/1038279190.db2.gz LYXTTXZTFKKDKA-IBGZPJMESA-N 1 0 308.425 4.101 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000599414806 1038282981 /nfs/dbraw/zinc/28/29/81/1038282981.db2.gz JEAKYUBKZXITGH-SFHVURJKSA-N 1 0 324.424 4.125 20 30 DIEDRO C[C@H]1C[NH+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)C1(F)F ZINC000599512156 1038297304 /nfs/dbraw/zinc/29/73/04/1038297304.db2.gz DLNRCORESSGTLN-KBPBESRZSA-N 1 0 306.400 4.211 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515244 1038300581 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KHNYDQYQLVGRNC-IEBWSBKVSA-N 1 0 312.363 4.262 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000610829801 1038371682 /nfs/dbraw/zinc/37/16/82/1038371682.db2.gz MVABFNVJZFPEBY-CABCVRRESA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(-n2ccnc2)cc1 ZINC000610830392 1038372633 /nfs/dbraw/zinc/37/26/33/1038372633.db2.gz PYYOYZNBXVVSPO-HZPDHXFCSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000604419143 1038413733 /nfs/dbraw/zinc/41/37/33/1038413733.db2.gz SVDCDNSINRMDDV-INIZCTEOSA-N 1 0 320.436 4.273 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)ccn1 ZINC000610991296 1038420112 /nfs/dbraw/zinc/42/01/12/1038420112.db2.gz DOAOKLDQRFGOAR-NRFANRHFSA-N 1 0 313.404 4.444 20 30 DIEDRO N#Cc1cc(C[N@H+](Cc2ccc3ccccc3c2)C2CC2)ccn1 ZINC000610992024 1038421877 /nfs/dbraw/zinc/42/18/77/1038421877.db2.gz ZPZBYIFHOKXVIO-UHFFFAOYSA-N 1 0 313.404 4.271 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610993839 1038422353 /nfs/dbraw/zinc/42/23/53/1038422353.db2.gz KHFDWKGRRZPYDV-PMACEKPBSA-N 1 0 305.425 4.030 20 30 DIEDRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)c1 ZINC000582011640 1038424624 /nfs/dbraw/zinc/42/46/24/1038424624.db2.gz JOOKAFSUUFBAND-GOSISDBHSA-N 1 0 319.452 4.181 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)ccn1 ZINC000610994672 1038425679 /nfs/dbraw/zinc/42/56/79/1038425679.db2.gz MJQONWHLZYMDCX-RQWLHQTBSA-N 1 0 317.436 4.411 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC001167499554 1038454606 /nfs/dbraw/zinc/45/46/06/1038454606.db2.gz KXKOMNKDZHAVJH-UZLBHIALSA-N 1 0 320.436 4.192 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000538322831 1038462554 /nfs/dbraw/zinc/46/25/54/1038462554.db2.gz AQKPMXUKBBPQQB-HXUWFJFHSA-N 1 0 324.399 4.255 20 30 DIEDRO Cc1ccc(CSCC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000538397938 1038467267 /nfs/dbraw/zinc/46/72/67/1038467267.db2.gz GBFHVECPKWKOKY-MRXNPFEDSA-N 1 0 310.466 4.451 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000538506706 1038477762 /nfs/dbraw/zinc/47/77/62/1038477762.db2.gz RNDFOBFUFIDPMB-MWBIGIAMSA-N 1 0 324.399 4.301 20 30 DIEDRO C=CCCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000605150377 1038493453 /nfs/dbraw/zinc/49/34/53/1038493453.db2.gz PSOJVVSNAZJTRU-UHFFFAOYSA-N 1 0 301.409 4.046 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC001167505820 1038495317 /nfs/dbraw/zinc/49/53/17/1038495317.db2.gz WCJJNRQJDWDDMB-AUUYWEPGSA-N 1 0 324.399 4.289 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1OC ZINC000342285999 1038518737 /nfs/dbraw/zinc/51/87/37/1038518737.db2.gz VNMJBUJNDCLDJR-UHFFFAOYSA-N 1 0 322.408 4.031 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000342314636 1038529013 /nfs/dbraw/zinc/52/90/13/1038529013.db2.gz YJBSGUJLTBNTPG-UHFFFAOYSA-N 1 0 323.440 4.080 20 30 DIEDRO N#Cc1cccc([C@@H]2CN(CC/C=C/c3ccccc3)CCO2)c1 ZINC000450653230 1038537670 /nfs/dbraw/zinc/53/76/70/1038537670.db2.gz VNBGAGOTZSDNEA-ZSIUJALASA-N 1 0 318.420 4.035 20 30 DIEDRO CCc1nc2c(s1)[C@@H](N(C)Cc1csc(C#N)c1)CCC2 ZINC000892142255 1038544235 /nfs/dbraw/zinc/54/42/35/1038544235.db2.gz ZPHGIBMJCAEKCZ-AWEZNQCLSA-N 1 0 317.483 4.148 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC001167533608 1038553383 /nfs/dbraw/zinc/55/33/83/1038553383.db2.gz HWIWACOGTHZQEZ-AUUYWEPGSA-N 1 0 324.399 4.289 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2Cl)ccc1C#N ZINC000234938869 1038577329 /nfs/dbraw/zinc/57/73/29/1038577329.db2.gz WEECFKBUNPYSGN-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO CC[N@H+](Cc1cnc2cc(C)ccn12)[C@H](C)c1ccc(C#N)cc1 ZINC000119860688 1038588237 /nfs/dbraw/zinc/58/82/37/1038588237.db2.gz BVLVHYSSBIKTEB-MRXNPFEDSA-N 1 0 318.424 4.098 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccccc2Cl)ccc1C#N ZINC000234950440 1038590234 /nfs/dbraw/zinc/59/02/34/1038590234.db2.gz WEECFKBUNPYSGN-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO CC[N@H+](Cc1c[nH]nc1C(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119871195 1038590723 /nfs/dbraw/zinc/59/07/23/1038590723.db2.gz PUYQLCMNHNENDK-AWEZNQCLSA-N 1 0 310.445 4.162 20 30 DIEDRO CCOc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032771 1038625874 /nfs/dbraw/zinc/62/58/74/1038625874.db2.gz OSLVYOUAJXUYLW-UHFFFAOYSA-N 1 0 306.409 4.126 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000611587370 1038634278 /nfs/dbraw/zinc/63/42/78/1038634278.db2.gz BSIUEZINYMHVOS-ZBFHGGJFSA-N 1 0 308.400 4.153 20 30 DIEDRO C=CCC[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000606897711 1038638778 /nfs/dbraw/zinc/63/87/78/1038638778.db2.gz VGJHMFXMNKENIQ-UHFFFAOYSA-N 1 0 315.436 4.437 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000478207336 1038646187 /nfs/dbraw/zinc/64/61/87/1038646187.db2.gz NLVIFSIODXNTQN-HXUWFJFHSA-N 1 0 306.384 4.423 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000179417905 1038665929 /nfs/dbraw/zinc/66/59/29/1038665929.db2.gz ZUZWLUSJJKRZCL-XFQXTVEOSA-N 1 0 306.409 4.043 20 30 DIEDRO C=C(C)C[N@H+](CC)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000097039318 1038682359 /nfs/dbraw/zinc/68/23/59/1038682359.db2.gz ODLQPYOFJACSCM-UHFFFAOYSA-N 1 0 317.408 4.015 20 30 DIEDRO C=CC[N@@H+](CCCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288178 1038694762 /nfs/dbraw/zinc/69/47/62/1038694762.db2.gz FTFJRDYVOXIUEB-UHFFFAOYSA-N 1 0 310.397 4.216 20 30 DIEDRO Cc1cccc(C[N@H+](CCCSCC#N)Cc2ccco2)c1 ZINC000342637524 1038696073 /nfs/dbraw/zinc/69/60/73/1038696073.db2.gz UBAGWXODUXGOIL-UHFFFAOYSA-N 1 0 314.454 4.237 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000657529245 1038763409 /nfs/dbraw/zinc/76/34/09/1038763409.db2.gz ADWRREQGIJYIKZ-YOEHRIQHSA-N 1 0 313.470 4.430 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000657529257 1038763630 /nfs/dbraw/zinc/76/36/30/1038763630.db2.gz AITVXVPQQBILME-HOCLYGCPSA-N 1 0 318.427 4.128 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000657529243 1038764298 /nfs/dbraw/zinc/76/42/98/1038764298.db2.gz ADWRREQGIJYIKZ-RHSMWYFYSA-N 1 0 313.470 4.430 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000657529256 1038764429 /nfs/dbraw/zinc/76/44/29/1038764429.db2.gz AITVXVPQQBILME-GOEBONIOSA-N 1 0 318.427 4.128 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(Br)s1 ZINC000657529634 1038767256 /nfs/dbraw/zinc/76/72/56/1038767256.db2.gz FYMJCWNNYVKJMQ-WDEREUQCSA-N 1 0 315.280 4.130 20 30 DIEDRO N#Cc1c(Cl)cccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000342776536 1038771379 /nfs/dbraw/zinc/77/13/79/1038771379.db2.gz HHGRYODWHUTOHW-INIZCTEOSA-N 1 0 315.804 4.054 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)c2ccccn2)cc1Cl ZINC000657534839 1038771391 /nfs/dbraw/zinc/77/13/91/1038771391.db2.gz ZFUDHYIOTVLZTJ-AWEZNQCLSA-N 1 0 316.832 4.193 20 30 DIEDRO N#Cc1c(Cl)cccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000342776554 1038771476 /nfs/dbraw/zinc/77/14/76/1038771476.db2.gz HHGRYODWHUTOHW-MRXNPFEDSA-N 1 0 315.804 4.054 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1F ZINC000063750847 1038841267 /nfs/dbraw/zinc/84/12/67/1038841267.db2.gz QSJHVZPSRGQSCQ-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccccc2C(=O)N(C)C)CCCC1 ZINC000657567563 1038846525 /nfs/dbraw/zinc/84/65/25/1038846525.db2.gz UGQLTOZAPFXODC-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000342812630 1038850110 /nfs/dbraw/zinc/85/01/10/1038850110.db2.gz BRGHCQKAJTXOGC-IBGZPJMESA-N 1 0 306.409 4.297 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2nccn2CC(F)(F)F)CCCC1 ZINC000657567161 1038855724 /nfs/dbraw/zinc/85/57/24/1038855724.db2.gz LCYJZLVUKCTGMF-UHFFFAOYSA-N 1 0 315.383 4.062 20 30 DIEDRO C=CCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000657583024 1038876899 /nfs/dbraw/zinc/87/68/99/1038876899.db2.gz UIEUBPUBZPDFNN-UHFFFAOYSA-N 1 0 312.360 4.495 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135680577 1038917968 /nfs/dbraw/zinc/91/79/68/1038917968.db2.gz RCTKNAIOZNEPLP-ZDUSSCGKSA-N 1 0 300.427 4.258 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc3cc(OC)ccc3c2)CCOCC1 ZINC000657632277 1038928629 /nfs/dbraw/zinc/92/86/29/1038928629.db2.gz DTIOHPYJMOBXKF-UHFFFAOYSA-N 1 0 311.425 4.063 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000657632429 1038928714 /nfs/dbraw/zinc/92/87/14/1038928714.db2.gz HKXGVLVWLFAVOZ-UHFFFAOYSA-N 1 0 300.229 4.208 20 30 DIEDRO CCC[N@H+](CCCCC#N)Cc1ccccc1Br ZINC000608832875 1038929373 /nfs/dbraw/zinc/92/93/73/1038929373.db2.gz ZTIZTCLIDHUCMX-UHFFFAOYSA-N 1 0 309.251 4.355 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cccc(Cl)c1 ZINC000608841591 1038929983 /nfs/dbraw/zinc/92/99/83/1038929983.db2.gz NEUIIWYSCAAMLL-UHFFFAOYSA-N 1 0 316.857 4.235 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000608860497 1038937447 /nfs/dbraw/zinc/93/74/47/1038937447.db2.gz QSHABQOIXWJRPV-IEBWSBKVSA-N 1 0 300.446 4.428 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000237594650 1038943539 /nfs/dbraw/zinc/94/35/39/1038943539.db2.gz CJQQSJNHABDCOX-HRAATJIYSA-N 1 0 305.421 4.112 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2oc3ccccc3c2C)cc1 ZINC000237604190 1038949714 /nfs/dbraw/zinc/94/97/14/1038949714.db2.gz CSVXQQVVOANKOA-UHFFFAOYSA-N 1 0 305.377 4.043 20 30 DIEDRO CCCCCCCCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174531397 1038950218 /nfs/dbraw/zinc/95/02/18/1038950218.db2.gz OVTLKXWZKJOZED-SFHVURJKSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C2CC2)C2CCCC2)cc1OC ZINC000534334101 1039031208 /nfs/dbraw/zinc/03/12/08/1039031208.db2.gz KTYWENUWRSJTHX-UHFFFAOYSA-N 1 0 301.430 4.167 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000091507065 1039032923 /nfs/dbraw/zinc/03/29/23/1039032923.db2.gz MIUGQZPFRDFNSQ-MRXNPFEDSA-N 1 0 300.446 4.082 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)C2CCCC2)ccc1OC ZINC000089632023 1039061255 /nfs/dbraw/zinc/06/12/55/1039061255.db2.gz RYQVVRROKJGONL-PBHICJAKSA-N 1 0 316.445 4.044 20 30 DIEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594519296 1039068748 /nfs/dbraw/zinc/06/87/48/1039068748.db2.gz JNDDJPMANDXERU-KBXCAEBGSA-N 1 0 306.409 4.444 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000161498423 1039093088 /nfs/dbraw/zinc/09/30/88/1039093088.db2.gz VGNQUOHRTZHRCV-MRXNPFEDSA-N 1 0 310.441 4.168 20 30 DIEDRO C=CCOc1ccccc1CN[C@@H](C)c1cccnc1Cl ZINC000161502447 1039106083 /nfs/dbraw/zinc/10/60/83/1039106083.db2.gz IDLBJUSJUODOMU-ZDUSSCGKSA-N 1 0 302.805 4.151 20 30 DIEDRO CC#CCN(Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000525635323 1039112190 /nfs/dbraw/zinc/11/21/90/1039112190.db2.gz SPBHTDWSHFNQCS-HXUWFJFHSA-N 1 0 321.420 4.044 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000442693501 1039122284 /nfs/dbraw/zinc/12/22/84/1039122284.db2.gz PFHYKUTWJXIKNT-YJBOKZPZSA-N 1 0 308.400 4.323 20 30 DIEDRO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000442688456 1039123516 /nfs/dbraw/zinc/12/35/16/1039123516.db2.gz LDVMCBONJWBHIH-HNNXBMFYSA-N 1 0 306.409 4.076 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c(C)cc(C#N)cc2C)n1 ZINC001167657562 1039179863 /nfs/dbraw/zinc/17/98/63/1039179863.db2.gz YYBMRQMBRAEGKS-FQEVSTJZSA-N 1 0 305.425 4.216 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2c(C)cc(C#N)cc2C)n1 ZINC001167657563 1039180024 /nfs/dbraw/zinc/18/00/24/1039180024.db2.gz YYBMRQMBRAEGKS-HXUWFJFHSA-N 1 0 305.425 4.216 20 30 DIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000218862136 1039181372 /nfs/dbraw/zinc/18/13/72/1039181372.db2.gz KHQWPYLNSXATNS-IRXDYDNUSA-N 1 0 324.468 4.304 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2C)ccc1C#N ZINC000442809805 1039237354 /nfs/dbraw/zinc/23/73/54/1039237354.db2.gz LPPJUCFUMMGERV-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000278170867 1039240742 /nfs/dbraw/zinc/24/07/42/1039240742.db2.gz CKLXKOWJTMFANK-RDTXWAMCSA-N 1 0 322.408 4.131 20 30 DIEDRO C=CCCC[C@@H](C)[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000091622925 1039242953 /nfs/dbraw/zinc/24/29/53/1039242953.db2.gz MFFNMYXHZMQYSY-QGZVFWFLSA-N 1 0 302.462 4.309 20 30 DIEDRO N#Cc1csc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000089802236 1039243238 /nfs/dbraw/zinc/24/32/38/1039243238.db2.gz YKSSTHVKQQYWNM-UHFFFAOYSA-N 1 0 318.392 4.457 20 30 DIEDRO C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1cccc(C#N)c1 ZINC000539496307 1039270444 /nfs/dbraw/zinc/27/04/44/1039270444.db2.gz KRYUQRHEFRYHDI-ZDUSSCGKSA-N 1 0 307.372 4.072 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccc(C#N)cc1 ZINC000278206728 1039283751 /nfs/dbraw/zinc/28/37/51/1039283751.db2.gz HDIIMCOYMUZCMY-IBGZPJMESA-N 1 0 322.456 4.040 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccsc2)cc(OC)c1O ZINC000669831200 1039290370 /nfs/dbraw/zinc/29/03/70/1039290370.db2.gz XDZJFICCNGEPNO-LBPRGKRZSA-N 1 0 303.427 4.042 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000539610268 1039297780 /nfs/dbraw/zinc/29/77/80/1039297780.db2.gz SJMPJQWAGSOOOX-QWHCGFSZSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539606686 1039298249 /nfs/dbraw/zinc/29/82/49/1039298249.db2.gz UCQCWRZCRKSWQQ-YJBOKZPZSA-N 1 0 323.415 4.017 20 30 DIEDRO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCc1cccs1 ZINC000426461374 1039313746 /nfs/dbraw/zinc/31/37/46/1039313746.db2.gz OYWXYLSQRIGYQV-UHFFFAOYSA-N 1 0 323.383 4.293 20 30 DIEDRO Cn1cc(C[NH2+]CC2CCCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000611767196 1039314668 /nfs/dbraw/zinc/31/46/68/1039314668.db2.gz DTWAWFRKUQLRBI-UHFFFAOYSA-N 1 0 322.456 4.019 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C#N)cc1 ZINC000278251757 1039325121 /nfs/dbraw/zinc/32/51/21/1039325121.db2.gz MQBJMKSHDKCPTO-YJYMSZOUSA-N 1 0 321.380 4.195 20 30 DIEDRO CC1(C)C[C@H]([N@H+](Cc2ccccc2)CC2(C#N)CC2)C(C)(C)O1 ZINC000539763442 1039333205 /nfs/dbraw/zinc/33/32/05/1039333205.db2.gz PGHQUPUOMZDECM-KRWDZBQOSA-N 1 0 312.457 4.138 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)ccc1C#N ZINC000569630232 1039340655 /nfs/dbraw/zinc/34/06/55/1039340655.db2.gz WNRLNRIKLSMYDC-HXUWFJFHSA-N 1 0 324.399 4.255 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000278284457 1039351081 /nfs/dbraw/zinc/35/10/81/1039351081.db2.gz QHZPLGUHBIGCKF-NQIIRXRSSA-N 1 0 319.452 4.125 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000539822869 1039352621 /nfs/dbraw/zinc/35/26/21/1039352621.db2.gz VQCFZTUVZWUZCU-GXTWGEPZSA-N 1 0 300.402 4.137 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)o1 ZINC000539825171 1039353421 /nfs/dbraw/zinc/35/34/21/1039353421.db2.gz NBOJKHMAPYVBDT-FQEVSTJZSA-N 1 0 306.409 4.021 20 30 DIEDRO C[C@H](CCc1ccccc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583528634 1039363303 /nfs/dbraw/zinc/36/33/03/1039363303.db2.gz DYVADBTUNWPDJK-GOSISDBHSA-N 1 0 322.452 4.028 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 ZINC001625879186 1039364231 /nfs/dbraw/zinc/36/42/31/1039364231.db2.gz MMJWLIILYQPLGX-UHFFFAOYSA-N 1 0 324.424 4.234 20 30 DIEDRO C[NH+](C)CC(C)(C)CNc1ccc(C2(C#N)CCCCC2)cc1 ZINC001168767705 1039412511 /nfs/dbraw/zinc/41/25/11/1039412511.db2.gz IBYWTVLFXFGSLV-UHFFFAOYSA-N 1 0 313.489 4.412 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000278383208 1039430689 /nfs/dbraw/zinc/43/06/89/1039430689.db2.gz DFZXVPUVJNVZBJ-OKZBNKHCSA-N 1 0 300.446 4.193 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000540152216 1039432732 /nfs/dbraw/zinc/43/27/32/1039432732.db2.gz SAFDVLWKTLDDHN-GOSISDBHSA-N 1 0 303.446 4.206 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647308550 1039457633 /nfs/dbraw/zinc/45/76/33/1039457633.db2.gz RHMCONDMCQHECQ-WMZOPIPTSA-N 1 0 309.457 4.057 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)c1 ZINC000540376605 1039484392 /nfs/dbraw/zinc/48/43/92/1039484392.db2.gz NLYAIBNWTGJZBO-MRXNPFEDSA-N 1 0 324.424 4.077 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000540399008 1039491550 /nfs/dbraw/zinc/49/15/50/1039491550.db2.gz YUTWQZLHIGKTEZ-CZUORRHYSA-N 1 0 315.379 4.321 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccno1)c1ccc(C(F)(F)F)cc1 ZINC000540427987 1039492932 /nfs/dbraw/zinc/49/29/32/1039492932.db2.gz KIXMVGFJHSNOLX-HNNXBMFYSA-N 1 0 310.319 4.491 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2c(Cl)cccc2Cl)s1 ZINC000540586579 1039518656 /nfs/dbraw/zinc/51/86/56/1039518656.db2.gz UPTXKPLDGRIAQO-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000540594783 1039523780 /nfs/dbraw/zinc/52/37/80/1039523780.db2.gz OFUPKFJPVPWWPY-INIZCTEOSA-N 1 0 316.404 4.441 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1cccc(C#N)c1)Oc1ccccc1Cl ZINC000540611209 1039528383 /nfs/dbraw/zinc/52/83/83/1039528383.db2.gz FJSPEEOGVLSYJV-INIZCTEOSA-N 1 0 314.816 4.159 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000540606803 1039528599 /nfs/dbraw/zinc/52/85/99/1039528599.db2.gz QATHAGZGORRMDH-KBPBESRZSA-N 1 0 306.406 4.389 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2cc3ccccc3o2)C(C)C)CC1 ZINC000540645287 1039537858 /nfs/dbraw/zinc/53/78/58/1039537858.db2.gz LPDMVXPBGIILJO-FQEVSTJZSA-N 1 0 312.457 4.370 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000540702130 1039545493 /nfs/dbraw/zinc/54/54/93/1039545493.db2.gz RIKDHWACBCCLNR-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(CC#N)CC1 ZINC000540995241 1039608496 /nfs/dbraw/zinc/60/84/96/1039608496.db2.gz OWCGABMLKPDMSZ-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO N#Cc1ncccc1SCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000584124116 1039611044 /nfs/dbraw/zinc/61/10/44/1039611044.db2.gz UHYYINHQXHUBPX-UHFFFAOYSA-N 1 0 323.465 4.231 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1cccs1)c1ccc(C#N)cc1 ZINC000278641852 1039614030 /nfs/dbraw/zinc/61/40/30/1039614030.db2.gz HOLHQYUUHBLWDT-XOKHGSTOSA-N 1 0 314.454 4.173 20 30 DIEDRO C[N@@H+]1CCC[C@@H]1CCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000541073874 1039615156 /nfs/dbraw/zinc/61/51/56/1039615156.db2.gz LLUSWFVMRASKRN-GFCCVEGCSA-N 1 0 314.376 4.153 20 30 DIEDRO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000541086773 1039619159 /nfs/dbraw/zinc/61/91/59/1039619159.db2.gz JEGPKTAKIHKCIU-MRXNPFEDSA-N 1 0 320.436 4.271 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000278688723 1039647772 /nfs/dbraw/zinc/64/77/72/1039647772.db2.gz KIOIVJHMMWGGMK-OTWHNJEPSA-N 1 0 300.446 4.193 20 30 DIEDRO CC[N@H+](CCCC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000541280665 1039652705 /nfs/dbraw/zinc/65/27/05/1039652705.db2.gz WONHDVDVUSBIEZ-HNNXBMFYSA-N 1 0 316.445 4.063 20 30 DIEDRO CC[N@H+](CCCC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000541280666 1039653562 /nfs/dbraw/zinc/65/35/62/1039653562.db2.gz WONHDVDVUSBIEZ-OAHLLOKOSA-N 1 0 316.445 4.063 20 30 DIEDRO Cc1cccc([C@H](O)C[N@H+](CCCCC#N)Cc2ccccc2)c1 ZINC000135491287 1039678453 /nfs/dbraw/zinc/67/84/53/1039678453.db2.gz QVGMICFLVXQDKC-OAQYLSRUSA-N 1 0 322.452 4.225 20 30 DIEDRO Clc1ccc(C#CC[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000541580231 1039705325 /nfs/dbraw/zinc/70/53/25/1039705325.db2.gz YEMDYENMSJGXER-QGZVFWFLSA-N 1 0 301.842 4.494 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)CCCCC(C)(C)C#N ZINC000318234337 1039727548 /nfs/dbraw/zinc/72/75/48/1039727548.db2.gz FOOSLSFOFXEGHJ-INIZCTEOSA-N 1 0 302.462 4.278 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000464791021 1039759485 /nfs/dbraw/zinc/75/94/85/1039759485.db2.gz RNKMVXMGGQKMQN-FQEVSTJZSA-N 1 0 310.416 4.396 20 30 DIEDRO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(CC#N)CC1 ZINC000541948201 1039767254 /nfs/dbraw/zinc/76/72/54/1039767254.db2.gz HVJPXFDOMWGWQF-GFCCVEGCSA-N 1 0 307.235 4.136 20 30 DIEDRO C=C(C)C[NH+]1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000609144166 1039783563 /nfs/dbraw/zinc/78/35/63/1039783563.db2.gz RYFGFJANFOVQGP-LJQANCHMSA-N 1 0 315.457 4.012 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000491470074 1039846723 /nfs/dbraw/zinc/84/67/23/1039846723.db2.gz GFVMIHKVOCESRT-KRWDZBQOSA-N 1 0 320.436 4.410 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000491470077 1039847730 /nfs/dbraw/zinc/84/77/30/1039847730.db2.gz GFVMIHKVOCESRT-QGZVFWFLSA-N 1 0 320.436 4.410 20 30 DIEDRO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H]1CC=CCC1 ZINC000491683324 1039866807 /nfs/dbraw/zinc/86/68/07/1039866807.db2.gz ZWCXSCZJQUQGLL-ZDUSSCGKSA-N 1 0 319.246 4.109 20 30 DIEDRO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CC=CCC1 ZINC000491683323 1039867839 /nfs/dbraw/zinc/86/78/39/1039867839.db2.gz ZWCXSCZJQUQGLL-CYBMUJFWSA-N 1 0 319.246 4.109 20 30 DIEDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cccc(C#N)c2)C2CC2)o1 ZINC000030152229 1039873753 /nfs/dbraw/zinc/87/37/53/1039873753.db2.gz KNRLOFUIYRAUQV-KUHUBIRLSA-N 1 0 306.409 4.439 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271923954 1039900287 /nfs/dbraw/zinc/90/02/87/1039900287.db2.gz IPTSXTRDCJBKRO-NEPJUHHUSA-N 1 0 316.351 4.257 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000271929036 1039901306 /nfs/dbraw/zinc/90/13/06/1039901306.db2.gz HIZXIKZUXVPHIW-KPOBHBOGSA-N 1 0 324.399 4.268 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000271938929 1039907523 /nfs/dbraw/zinc/90/75/23/1039907523.db2.gz KZXMXTWGSFPBTP-FZKQIMNGSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(c1ccccc1)c1ccccc1 ZINC000030531854 1039916869 /nfs/dbraw/zinc/91/68/69/1039916869.db2.gz VHTZMJPKAKVNLM-ZWKOTPCHSA-N 1 0 317.436 4.240 20 30 DIEDRO C#CCCOc1ccc(CNc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000151996141 1039933570 /nfs/dbraw/zinc/93/35/70/1039933570.db2.gz JQDZYDCSVAGOQK-UHFFFAOYSA-N 1 0 322.452 4.071 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000492400055 1039959265 /nfs/dbraw/zinc/95/92/65/1039959265.db2.gz QVTMFBQLOPUKKS-INIZCTEOSA-N 1 0 319.246 4.085 20 30 DIEDRO CCCC[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000492465887 1039964977 /nfs/dbraw/zinc/96/49/77/1039964977.db2.gz WXFVSYACNNXUKL-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO CC(C)[N@H+](Cc1cc(C#N)ccc1Br)C1CCC1 ZINC000492541601 1039976830 /nfs/dbraw/zinc/97/68/30/1039976830.db2.gz WIWZXOSUFZUABP-UHFFFAOYSA-N 1 0 307.235 4.084 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)ccc1C#N ZINC000443998875 1040013947 /nfs/dbraw/zinc/01/39/47/1040013947.db2.gz AACIBWUBWOMJMS-ZUOKHONESA-N 1 0 308.400 4.419 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)ccc1C#N ZINC000443998874 1040014444 /nfs/dbraw/zinc/01/44/44/1040014444.db2.gz AACIBWUBWOMJMS-XCLFUZPHSA-N 1 0 308.400 4.419 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1C1CC1 ZINC000685442356 1040048099 /nfs/dbraw/zinc/04/80/99/1040048099.db2.gz POCSBLGEIAANQH-UHFFFAOYSA-N 1 0 311.425 4.228 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](C)c1ccc(F)cc1 ZINC000685442319 1040049763 /nfs/dbraw/zinc/04/97/63/1040049763.db2.gz AIYZCRWQWYFPQL-OAHLLOKOSA-N 1 0 317.404 4.093 20 30 DIEDRO CC(C)COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000106466453 1040106528 /nfs/dbraw/zinc/10/65/28/1040106528.db2.gz UEYYGISWPIDGAP-INIZCTEOSA-N 1 0 308.425 4.444 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000177906036 1040144730 /nfs/dbraw/zinc/14/47/30/1040144730.db2.gz ZXMGUFRNWOLAAE-INIZCTEOSA-N 1 0 312.457 4.351 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(SC)s1 ZINC000685615638 1040159202 /nfs/dbraw/zinc/15/92/02/1040159202.db2.gz CIIOZROJMHOSOU-UHFFFAOYSA-N 1 0 305.468 4.325 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000657929672 1040183752 /nfs/dbraw/zinc/18/37/52/1040183752.db2.gz UEKRTRLXEQRDNO-IXDOHACOSA-N 1 0 309.519 4.156 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000658062389 1040287032 /nfs/dbraw/zinc/28/70/32/1040287032.db2.gz ZILAPCCNFIITTF-WDYCEAGBSA-N 1 0 314.473 4.174 20 30 DIEDRO C=CCC[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000658116649 1040308219 /nfs/dbraw/zinc/30/82/19/1040308219.db2.gz MJIYGTBALQONJH-HNNXBMFYSA-N 1 0 312.251 4.083 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000612077604 1040327569 /nfs/dbraw/zinc/32/75/69/1040327569.db2.gz ARLHHTIQNKHKKI-LJQANCHMSA-N 1 0 308.450 4.043 20 30 DIEDRO CCCCCCCCC[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001167684451 1040395564 /nfs/dbraw/zinc/39/55/64/1040395564.db2.gz GNUGRFLOUHQMOH-SJORKVTESA-N 1 0 317.539 4.025 20 30 DIEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000658334728 1040424921 /nfs/dbraw/zinc/42/49/21/1040424921.db2.gz AJXXFZSTIBJCND-NWDGAFQWSA-N 1 0 307.846 4.266 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1cc(C#N)ccc1OC ZINC000179736754 1040525729 /nfs/dbraw/zinc/52/57/29/1040525729.db2.gz HKDVOJLYZPHEPR-SFHVURJKSA-N 1 0 324.424 4.206 20 30 DIEDRO CS[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000612419656 1040588561 /nfs/dbraw/zinc/58/85/61/1040588561.db2.gz DKTOEGUQXSOHRE-IRXDYDNUSA-N 1 0 302.487 4.303 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCNc1cccc(F)c1 ZINC000612422710 1040589223 /nfs/dbraw/zinc/58/92/23/1040589223.db2.gz FAGCMDALRPUXPP-FQEVSTJZSA-N 1 0 323.415 4.167 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC ZINC000057958605 1040609317 /nfs/dbraw/zinc/60/93/17/1040609317.db2.gz VLHJLFYEYONTII-UHFFFAOYSA-N 1 0 315.388 4.079 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000318401964 1040612258 /nfs/dbraw/zinc/61/22/58/1040612258.db2.gz JKFQPRDLUSARNC-RCCFBDPRSA-N 1 0 306.494 4.112 20 30 DIEDRO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)cc1F ZINC001140754489 1040659804 /nfs/dbraw/zinc/65/98/04/1040659804.db2.gz BDBFGSJRPDEUIE-OAHLLOKOSA-N 1 0 304.384 4.239 20 30 DIEDRO CCC1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180064015 1040754687 /nfs/dbraw/zinc/75/46/87/1040754687.db2.gz FKKWAWWPARDFDR-UHFFFAOYSA-N 1 0 322.456 4.017 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000613044456 1040773376 /nfs/dbraw/zinc/77/33/76/1040773376.db2.gz FLYVOPOASOAMIT-IBGZPJMESA-N 1 0 317.436 4.471 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000613255231 1040844462 /nfs/dbraw/zinc/84/44/62/1040844462.db2.gz KNMPNKASWUNUQA-LKUPVBHCSA-N 1 0 320.436 4.457 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000178059686 1040887079 /nfs/dbraw/zinc/88/70/79/1040887079.db2.gz JIYDNASRBNLXNO-ZDUSSCGKSA-N 1 0 314.454 4.191 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000178059673 1040887829 /nfs/dbraw/zinc/88/78/29/1040887829.db2.gz JIYDNASRBNLXNO-CYBMUJFWSA-N 1 0 314.454 4.191 20 30 DIEDRO C#CCCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000178057058 1040888457 /nfs/dbraw/zinc/88/84/57/1040888457.db2.gz HHAWTFIIBOKUPK-OAHLLOKOSA-N 1 0 314.429 4.330 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000414138657 1040909143 /nfs/dbraw/zinc/90/91/43/1040909143.db2.gz FUAWOGGILGACQU-AUUYWEPGSA-N 1 0 306.409 4.213 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000414138670 1040909642 /nfs/dbraw/zinc/90/96/42/1040909642.db2.gz FUAWOGGILGACQU-LIRRHRJNSA-N 1 0 306.409 4.213 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000414142798 1040920709 /nfs/dbraw/zinc/92/07/09/1040920709.db2.gz JDLSOTKZBKJRJO-GJZGRUSLSA-N 1 0 311.404 4.154 20 30 DIEDRO CC[NH+](CC)CCC[C@H](C)Nc1nc(C(C)(C)C)ccc1C#N ZINC000613409053 1040928140 /nfs/dbraw/zinc/92/81/40/1040928140.db2.gz HWTPZFSMOKUSIK-HNNXBMFYSA-N 1 0 316.493 4.173 20 30 DIEDRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(C(C)(C)C)ccc1C#N ZINC000613409069 1040928793 /nfs/dbraw/zinc/92/87/93/1040928793.db2.gz HWTPZFSMOKUSIK-OAHLLOKOSA-N 1 0 316.493 4.173 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)c1ccc(C#N)cc1 ZINC000414156864 1040936412 /nfs/dbraw/zinc/93/64/12/1040936412.db2.gz QZCCYXQCVHJWSY-IUODEOHRSA-N 1 0 311.454 4.305 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000174822176 1041012199 /nfs/dbraw/zinc/01/21/99/1041012199.db2.gz GBXAOBQNDWGYMQ-UHFFFAOYSA-N 1 0 322.399 4.138 20 30 DIEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000414226663 1041026941 /nfs/dbraw/zinc/02/69/41/1041026941.db2.gz ULNPHGIJGJIPIE-OAQYLSRUSA-N 1 0 319.452 4.268 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)c1 ZINC000452020790 1041042393 /nfs/dbraw/zinc/04/23/93/1041042393.db2.gz RQXNTFUUICDLJX-RUCARUNLSA-N 1 0 324.399 4.084 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc(OC(F)(F)F)c1 ZINC001143468070 1041045187 /nfs/dbraw/zinc/04/51/87/1041045187.db2.gz AVHMLMSLKUKTOC-CYBMUJFWSA-N 1 0 312.335 4.019 20 30 DIEDRO COCCC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000180221331 1041049394 /nfs/dbraw/zinc/04/93/94/1041049394.db2.gz DRQPXXVOUROJHF-INIZCTEOSA-N 1 0 308.425 4.130 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000805336089 1041105523 /nfs/dbraw/zinc/10/55/23/1041105523.db2.gz DIPBKQBDLYMJPB-ZWKOTPCHSA-N 1 0 308.510 4.212 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C[NH2+]CC ZINC000659018534 1041149787 /nfs/dbraw/zinc/14/97/87/1041149787.db2.gz IKJBJTDDSLOASB-WBVHZDCISA-N 1 0 315.461 4.053 20 30 DIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000414345967 1041151897 /nfs/dbraw/zinc/15/18/97/1041151897.db2.gz USQSCJVHQKNXFX-WNYOCNMUSA-N 1 0 306.409 4.021 20 30 DIEDRO C=C(Br)C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000809616121 1041197117 /nfs/dbraw/zinc/19/71/17/1041197117.db2.gz JLCRFEQESASREH-VIFPVBQESA-N 1 0 322.168 4.307 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC)c(OCC)c2)cc1 ZINC000809602674 1041202585 /nfs/dbraw/zinc/20/25/85/1041202585.db2.gz VLKUKRMBNCKKGW-MRXNPFEDSA-N 1 0 323.436 4.316 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2c(OC)ccc3ccccc32)cc1 ZINC000809632561 1041208016 /nfs/dbraw/zinc/20/80/16/1041208016.db2.gz SASSXRUUMOUKOY-UHFFFAOYSA-N 1 0 301.389 4.120 20 30 DIEDRO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000120136102 1041207937 /nfs/dbraw/zinc/20/79/37/1041207937.db2.gz LGMUMUGWVRPILD-UHFFFAOYSA-N 1 0 302.780 4.257 20 30 DIEDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356414695 1041261034 /nfs/dbraw/zinc/26/10/34/1041261034.db2.gz OBYZMHYPYVHWMG-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)c1cccc(OC)c1OC ZINC000926794857 1041267639 /nfs/dbraw/zinc/26/76/39/1041267639.db2.gz NNBWDVKJNVAKOI-UKRRQHHQSA-N 1 0 304.434 4.073 20 30 DIEDRO CC1(C2CC2)CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000810066206 1041309194 /nfs/dbraw/zinc/30/91/94/1041309194.db2.gz HZKVGAIHKFGDIL-UHFFFAOYSA-N 1 0 318.848 4.254 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccncc1 ZINC000810145715 1041318274 /nfs/dbraw/zinc/31/82/74/1041318274.db2.gz GSXZKKULKXSNQN-MRXNPFEDSA-N 1 0 322.330 4.213 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1C ZINC000810250401 1041357430 /nfs/dbraw/zinc/35/74/30/1041357430.db2.gz HMIQHZCCWVYWLI-OAHLLOKOSA-N 1 0 324.424 4.043 20 30 DIEDRO COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000290244499 1041380702 /nfs/dbraw/zinc/38/07/02/1041380702.db2.gz JLJGGJBHBAHQJG-ACJLOTCBSA-N 1 0 314.816 4.250 20 30 DIEDRO COC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000290266007 1041401139 /nfs/dbraw/zinc/40/11/39/1041401139.db2.gz LCIQSENBDONBML-ACJLOTCBSA-N 1 0 314.816 4.250 20 30 DIEDRO CC(C)(C[NH2+]CCCCC#N)c1ccc(Br)cc1 ZINC000892929338 1041422582 /nfs/dbraw/zinc/42/25/82/1041422582.db2.gz HKJACHNXKKUJIZ-UHFFFAOYSA-N 1 0 309.251 4.010 20 30 DIEDRO N#CC1(CN[C@@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000926873192 1041432833 /nfs/dbraw/zinc/43/28/33/1041432833.db2.gz DAOACVZUOHMHQT-INIZCTEOSA-N 1 0 318.779 4.249 20 30 DIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728714844 1041480247 /nfs/dbraw/zinc/48/02/47/1041480247.db2.gz ATDMFSLAUGDUEX-SZVBFZGTSA-N 1 0 300.446 4.426 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000728713037 1041480699 /nfs/dbraw/zinc/48/06/99/1041480699.db2.gz IIQZPUOXVDRHRU-UGSOOPFHSA-N 1 0 312.438 4.280 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000728713033 1041480769 /nfs/dbraw/zinc/48/07/69/1041480769.db2.gz IIQZPUOXVDRHRU-SCLBCKFNSA-N 1 0 312.438 4.280 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000341217799 1041512404 /nfs/dbraw/zinc/51/24/04/1041512404.db2.gz ZBSCCLSEEMORNL-INIZCTEOSA-N 1 0 316.351 4.401 20 30 DIEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000290649903 1041525732 /nfs/dbraw/zinc/52/57/32/1041525732.db2.gz ZBCHJXRVJCRWCK-SFHVURJKSA-N 1 0 308.429 4.016 20 30 DIEDRO C=CC[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccncc1 ZINC000811481363 1041528954 /nfs/dbraw/zinc/52/89/54/1041528954.db2.gz YOZISZOXLNZZRJ-QGZVFWFLSA-N 1 0 304.796 4.324 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccn(C(C)C)n1)c1ccc(Cl)cc1 ZINC000811516835 1041530684 /nfs/dbraw/zinc/53/06/84/1041530684.db2.gz VVOZFGHAURDATQ-RDTXWAMCSA-N 1 0 315.848 4.013 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C)(C3CC3)CC2)cc1 ZINC000811514573 1041534778 /nfs/dbraw/zinc/53/47/78/1041534778.db2.gz NMKBTIAUXYUTRJ-UHFFFAOYSA-N 1 0 311.473 4.049 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1ccccc1 ZINC000893192547 1041547000 /nfs/dbraw/zinc/54/70/00/1041547000.db2.gz WTPGVTGTWRXQCX-HNNXBMFYSA-N 1 0 303.837 4.179 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001170650700 1041583718 /nfs/dbraw/zinc/58/37/18/1041583718.db2.gz PPZNYIPKZOQUME-SPYBWZPUSA-N 1 0 308.400 4.464 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cnn(C(C)C)c21)c1ccc(C#N)cc1 ZINC000365799257 1041584170 /nfs/dbraw/zinc/58/41/70/1041584170.db2.gz WVIPPAOJCMFRAV-MOPGFXCFSA-N 1 0 322.456 4.454 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@](C)(OC)C2CC2)cc1 ZINC000812734614 1041642417 /nfs/dbraw/zinc/64/24/17/1041642417.db2.gz OOTMLWFEXFDMQD-KDOFPFPSSA-N 1 0 323.864 4.284 20 30 DIEDRO C[C@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccc(OCC#N)cc1 ZINC000812738800 1041643404 /nfs/dbraw/zinc/64/34/04/1041643404.db2.gz BKJCLNUUTJQBCM-AWEZNQCLSA-N 1 0 307.397 4.036 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000747815392 1041648238 /nfs/dbraw/zinc/64/82/38/1041648238.db2.gz GNNZLOFUPPDOFZ-MGPUTAFESA-N 1 0 324.399 4.284 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000812792890 1041650700 /nfs/dbraw/zinc/65/07/00/1041650700.db2.gz JXEJFMGWZUHXHE-UXPWSPDFSA-N 1 0 308.400 4.211 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000812792891 1041651173 /nfs/dbraw/zinc/65/11/73/1041651173.db2.gz JXEJFMGWZUHXHE-VDGAXYAQSA-N 1 0 308.400 4.211 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000236693918 1041659938 /nfs/dbraw/zinc/65/99/38/1041659938.db2.gz MKIDYFIRPYNJNG-OAQYLSRUSA-N 1 0 305.421 4.330 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1COCc2ccccc21 ZINC000417361309 1041664350 /nfs/dbraw/zinc/66/43/50/1041664350.db2.gz KPHNRAZRWMSSTG-NHCUHLMSSA-N 1 0 318.420 4.187 20 30 DIEDRO CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccc(C#N)cn2)o1 ZINC000584756932 1041665306 /nfs/dbraw/zinc/66/53/06/1041665306.db2.gz CICHGMBLMRKHPX-GOSISDBHSA-N 1 0 309.413 4.226 20 30 DIEDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccc(C#N)cn2)o1 ZINC000584756933 1041665446 /nfs/dbraw/zinc/66/54/46/1041665446.db2.gz CICHGMBLMRKHPX-SFHVURJKSA-N 1 0 309.413 4.226 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000417369446 1041665571 /nfs/dbraw/zinc/66/55/71/1041665571.db2.gz REQFQBYGQQHLAF-JYRKZWEQSA-N 1 0 324.468 4.121 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000417370263 1041667071 /nfs/dbraw/zinc/66/70/71/1041667071.db2.gz SFUAXHWASYEZRE-XCLFUZPHSA-N 1 0 319.383 4.297 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000747871938 1041728285 /nfs/dbraw/zinc/72/82/85/1041728285.db2.gz NWTSGFKZCLPWJA-HOTGVXAUSA-N 1 0 314.256 4.361 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc(C)c1O ZINC000418150571 1041732584 /nfs/dbraw/zinc/73/25/84/1041732584.db2.gz WJRSNRBOSXUOQM-LJQANCHMSA-N 1 0 306.409 4.048 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(C)(C)COC)cc1 ZINC000813883869 1041742762 /nfs/dbraw/zinc/74/27/62/1041742762.db2.gz YRBAOXJKZLWFIW-AWEZNQCLSA-N 1 0 311.853 4.141 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(-c2ccc(C#N)o2)cc1 ZINC001167754612 1041751397 /nfs/dbraw/zinc/75/13/97/1041751397.db2.gz ZYZXMENDMMCFGD-INIZCTEOSA-N 1 0 323.440 4.495 20 30 DIEDRO COCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[C@@H](C)C1 ZINC000616873137 1041791847 /nfs/dbraw/zinc/79/18/47/1041791847.db2.gz OEYQGTCQLISPHX-APWZRJJASA-N 1 0 314.473 4.125 20 30 DIEDRO CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C[C@@H]21 ZINC001170736096 1041800044 /nfs/dbraw/zinc/80/00/44/1041800044.db2.gz GCPRPGBZOMGBEB-YOWGUQMCSA-N 1 0 308.347 4.101 20 30 DIEDRO CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)C[C@@H]21 ZINC001170736095 1041800105 /nfs/dbraw/zinc/80/01/05/1041800105.db2.gz GCPRPGBZOMGBEB-XMQYKBBCSA-N 1 0 308.347 4.101 20 30 DIEDRO CC(=NNc1ccc(Cl)cc1)c1ccc(C[NH+](C)C)cc1 ZINC000814683744 1041849213 /nfs/dbraw/zinc/84/92/13/1041849213.db2.gz ODBHZKXFNVHTEI-UHFFFAOYSA-N 1 0 301.821 4.238 20 30 DIEDRO CC(=NNc1ccc(Cl)cc1)c1cccc(C[NH+](C)C)c1 ZINC000814683822 1041849732 /nfs/dbraw/zinc/84/97/32/1041849732.db2.gz RDKPAGFOLHZHDJ-UHFFFAOYSA-N 1 0 301.821 4.238 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660718165 1041856866 /nfs/dbraw/zinc/85/68/66/1041856866.db2.gz PREXYROJFLCYTL-MRXNPFEDSA-N 1 0 302.466 4.083 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000661118671 1041888216 /nfs/dbraw/zinc/88/82/16/1041888216.db2.gz JKBFKDOXYZOVDY-GDBMZVCRSA-N 1 0 315.417 4.171 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000661114823 1041888838 /nfs/dbraw/zinc/88/88/38/1041888838.db2.gz MTTDVVSYVNWQPK-GDBMZVCRSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cncn1Cc1ccccc1 ZINC000661113905 1041888844 /nfs/dbraw/zinc/88/88/44/1041888844.db2.gz CLRHQVCEOJECEI-AZUAARDMSA-N 1 0 309.457 4.156 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(C)cc2)o1 ZINC000661117359 1041890145 /nfs/dbraw/zinc/89/01/45/1041890145.db2.gz QGYILJFBGMCILE-RDJZCZTQSA-N 1 0 311.429 4.270 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000651750297 1041903608 /nfs/dbraw/zinc/90/36/08/1041903608.db2.gz CCARNMYNLNPENC-QAPCUYQASA-N 1 0 315.461 4.051 20 30 DIEDRO C=CCC(F)(F)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000815035833 1041908153 /nfs/dbraw/zinc/90/81/53/1041908153.db2.gz PBUVUTZHQNREAF-CQSZACIVSA-N 1 0 322.399 4.211 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815092595 1041912520 /nfs/dbraw/zinc/91/25/20/1041912520.db2.gz LWDQQYBAKQZJPM-IVMMDQJWSA-N 1 0 308.347 4.187 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1cccc(C#N)c1 ZINC000815082906 1041912830 /nfs/dbraw/zinc/91/28/30/1041912830.db2.gz ITQKSELOLUCDKM-VFNWGFHPSA-N 1 0 316.404 4.096 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236718775 1041916201 /nfs/dbraw/zinc/91/62/01/1041916201.db2.gz DERQPSPCPWQRQM-MRXNPFEDSA-N 1 0 324.424 4.054 20 30 DIEDRO COc1ccc2c(c1)CN(Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000594028296 1041917491 /nfs/dbraw/zinc/91/74/91/1041917491.db2.gz LVVVNZIQHSMYAU-UHFFFAOYSA-N 1 0 306.409 4.012 20 30 DIEDRO C[C@@H](C#N)OCC[N@@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000815150600 1041927356 /nfs/dbraw/zinc/92/73/56/1041927356.db2.gz BPDYFICPKXUZHI-DOTOQJQBSA-N 1 0 320.864 4.056 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000661378841 1041930081 /nfs/dbraw/zinc/93/00/81/1041930081.db2.gz MZTVNRWYBDEUHK-CYBMUJFWSA-N 1 0 317.820 4.178 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815617335 1041975536 /nfs/dbraw/zinc/97/55/36/1041975536.db2.gz LAJGMBPRYFLNCT-HNNXBMFYSA-N 1 0 302.418 4.040 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815625211 1041977409 /nfs/dbraw/zinc/97/74/09/1041977409.db2.gz XFBCMBKYJQQSBA-MRXNPFEDSA-N 1 0 311.425 4.425 20 30 DIEDRO C=CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)C(C)(C)C ZINC000661755098 1041990445 /nfs/dbraw/zinc/99/04/45/1041990445.db2.gz JXFHKFSKWCKHNY-UHFFFAOYSA-N 1 0 300.402 4.137 20 30 DIEDRO C=CCC1([NH2+]Cc2nnc(-c3ccc(Cl)cc3)o2)CCCC1 ZINC000661851918 1042006768 /nfs/dbraw/zinc/00/67/68/1042006768.db2.gz XSLQTEQBEONCFW-UHFFFAOYSA-N 1 0 317.820 4.369 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2c(CC)cccc2CC)CCCC1 ZINC000661849829 1042007099 /nfs/dbraw/zinc/00/70/99/1042007099.db2.gz HQROBVSAWIULJU-UHFFFAOYSA-N 1 0 314.473 4.228 20 30 DIEDRO C=CCC1([NH2+]CCC(=O)Nc2ccccc2SC)CCCC1 ZINC000661865525 1042009296 /nfs/dbraw/zinc/00/92/96/1042009296.db2.gz QCKFVLSACOYLSA-UHFFFAOYSA-N 1 0 318.486 4.216 20 30 DIEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598599118 1042042929 /nfs/dbraw/zinc/04/29/29/1042042929.db2.gz AAMVLAITCBBEPN-GDBMZVCRSA-N 1 0 320.502 4.138 20 30 DIEDRO CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598593780 1042044288 /nfs/dbraw/zinc/04/42/88/1042044288.db2.gz WAEZEEJZZPKIAC-DOTOQJQBSA-N 1 0 318.461 4.060 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cc1 ZINC000236770213 1042047257 /nfs/dbraw/zinc/04/72/57/1042047257.db2.gz HZEUHFPVVNMCHG-QGZVFWFLSA-N 1 0 323.436 4.337 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000662079442 1042057403 /nfs/dbraw/zinc/05/74/03/1042057403.db2.gz GFNZXNOWJFXLRT-OIISXLGYSA-N 1 0 309.413 4.289 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nc(-c2cccs2)no1 ZINC000662078650 1042057750 /nfs/dbraw/zinc/05/77/50/1042057750.db2.gz FIUNUUJIVFPEEQ-RWMBFGLXSA-N 1 0 301.415 4.042 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2cccs2)oc1C ZINC000662082479 1042058802 /nfs/dbraw/zinc/05/88/02/1042058802.db2.gz VLZMFONOVPERKD-OKILXGFUSA-N 1 0 300.427 4.395 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000662084255 1042059544 /nfs/dbraw/zinc/05/95/44/1042059544.db2.gz PVGUIEJAXLYXPW-GASCZTMLSA-N 1 0 316.351 4.303 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000662088563 1042060632 /nfs/dbraw/zinc/06/06/32/1042060632.db2.gz JHZXPNHYAYVDOJ-BGYRXZFFSA-N 1 0 320.436 4.344 20 30 DIEDRO C[C@H](CC[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000567966164 1042086943 /nfs/dbraw/zinc/08/69/43/1042086943.db2.gz RCKRZJRBOSXGIN-GOSISDBHSA-N 1 0 322.452 4.200 20 30 DIEDRO CCCCCCC[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000759935340 1042093557 /nfs/dbraw/zinc/09/35/57/1042093557.db2.gz KFEXIPHOWHQGNA-KRWDZBQOSA-N 1 0 301.434 4.222 20 30 DIEDRO C=CCCCC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000817587292 1042118916 /nfs/dbraw/zinc/11/89/16/1042118916.db2.gz VTWMAICIQAMTCF-GFCCVEGCSA-N 1 0 315.280 4.303 20 30 DIEDRO CCOc1ccc(CCC2CC[NH+](CCCC#N)CC2)cc1 ZINC000053907404 1042122590 /nfs/dbraw/zinc/12/25/90/1042122590.db2.gz OHDRAVLLSBVQCG-UHFFFAOYSA-N 1 0 300.446 4.034 20 30 DIEDRO CCCCCCCCCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818290996 1042146403 /nfs/dbraw/zinc/14/64/03/1042146403.db2.gz PAIAJRXTBHETTP-QGZVFWFLSA-N 1 0 308.510 4.118 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000818347933 1042148410 /nfs/dbraw/zinc/14/84/10/1042148410.db2.gz XBHCMZLUMMVDIF-ZLDLUXBVSA-N 1 0 313.413 4.243 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000121838295 1042157293 /nfs/dbraw/zinc/15/72/93/1042157293.db2.gz PXHHWSXBRBRTIB-RDTXWAMCSA-N 1 0 324.424 4.377 20 30 DIEDRO CCCCCCCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001136166437 1042161493 /nfs/dbraw/zinc/16/14/93/1042161493.db2.gz LERYRYDHRNNFAC-GOSISDBHSA-N 1 0 308.510 4.260 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170922295 1042169537 /nfs/dbraw/zinc/16/95/37/1042169537.db2.gz YFUGASRMAOKUEJ-GOSISDBHSA-N 1 0 322.839 4.127 20 30 DIEDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000819329506 1042178581 /nfs/dbraw/zinc/17/85/81/1042178581.db2.gz HYNHKYWPNAMRKM-PMACEKPBSA-N 1 0 308.425 4.053 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)ccc1C#N ZINC000568993949 1042201797 /nfs/dbraw/zinc/20/17/97/1042201797.db2.gz MFLZRCHYNYDSCS-CQSZACIVSA-N 1 0 302.830 4.359 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170941903 1042202594 /nfs/dbraw/zinc/20/25/94/1042202594.db2.gz GUFRVWOKLGWMTD-KRWDZBQOSA-N 1 0 310.828 4.201 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1Cl ZINC000066969802 1042211206 /nfs/dbraw/zinc/21/12/06/1042211206.db2.gz DHVGIQQYWMCHEZ-ZDUSSCGKSA-N 1 0 302.805 4.151 20 30 DIEDRO COc1cc(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)ccc1C#N ZINC000569136803 1042212816 /nfs/dbraw/zinc/21/28/16/1042212816.db2.gz USYLYIGBHRVWIG-HXUWFJFHSA-N 1 0 306.409 4.116 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820823734 1042229048 /nfs/dbraw/zinc/22/90/48/1042229048.db2.gz OSZWQRGTFUOHDH-SFHVURJKSA-N 1 0 319.832 4.399 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](Cc2ccccc2C)c2ccco2)CC1 ZINC000820809411 1042229525 /nfs/dbraw/zinc/22/95/25/1042229525.db2.gz ACEAFVXFZGTTLB-FQEVSTJZSA-N 1 0 324.468 4.112 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2c(C)cccc2Cl)CCCC1 ZINC000661852284 1042243143 /nfs/dbraw/zinc/24/31/43/1042243143.db2.gz PCWCZXROZPFBRJ-UHFFFAOYSA-N 1 0 306.837 4.065 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](CCCc1ccc(Cl)cc1)CC2 ZINC001207592494 1042243159 /nfs/dbraw/zinc/24/31/59/1042243159.db2.gz ABJJKJIHUMNIIR-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO COc1ncc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000585764886 1042244998 /nfs/dbraw/zinc/24/49/98/1042244998.db2.gz WQJVOWNMMWUTRC-RYUDHWBXSA-N 1 0 315.804 4.027 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001170967378 1042255504 /nfs/dbraw/zinc/25/55/04/1042255504.db2.gz TUMKWQLWDJOMFM-HNNXBMFYSA-N 1 0 313.828 4.359 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(F)cc2C#N)C(C)C)cc1 ZINC000182057076 1042265680 /nfs/dbraw/zinc/26/56/80/1042265680.db2.gz WSWUZNWNERYOHB-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000772858730 1042284204 /nfs/dbraw/zinc/28/42/04/1042284204.db2.gz VQRQDTCNNNZDAY-RTBURBONSA-N 1 0 317.379 4.295 20 30 DIEDRO CCOCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822525432 1042289255 /nfs/dbraw/zinc/28/92/55/1042289255.db2.gz GRPQZSZUHPSJOJ-INIZCTEOSA-N 1 0 324.424 4.124 20 30 DIEDRO CC1(C)C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ccccc21 ZINC001139706179 1042290179 /nfs/dbraw/zinc/29/01/79/1042290179.db2.gz NQSOAHUXGRCBQX-UHFFFAOYSA-N 1 0 315.420 4.333 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000436302965 1042326668 /nfs/dbraw/zinc/32/66/68/1042326668.db2.gz BEPCXEQWOFPFHQ-KCXAZCMYSA-N 1 0 323.889 4.448 20 30 DIEDRO C=CCCCCC[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001167897055 1042341016 /nfs/dbraw/zinc/34/10/16/1042341016.db2.gz CQLVHKAHRURMSE-GOSISDBHSA-N 1 0 310.482 4.016 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(C)c1 ZINC000237512471 1042377642 /nfs/dbraw/zinc/37/76/42/1042377642.db2.gz OYMFYLFPPGPIOP-QZTJIDSGSA-N 1 0 322.452 4.315 20 30 DIEDRO COc1c(F)cccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001143534836 1042390516 /nfs/dbraw/zinc/39/05/16/1042390516.db2.gz ZRUYLSCNQMXPKT-UHFFFAOYSA-N 1 0 323.411 4.098 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000573695375 1042412760 /nfs/dbraw/zinc/41/27/60/1042412760.db2.gz LWGKDNHTVGXKSN-WOJBJXKFSA-N 1 0 305.425 4.111 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(CCC#N)CC2)cc1Cl ZINC000575402132 1042412871 /nfs/dbraw/zinc/41/28/71/1042412871.db2.gz HFQJEOJKEISHTB-UHFFFAOYSA-N 1 0 318.848 4.421 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccn1 ZINC000614160726 1042418387 /nfs/dbraw/zinc/41/83/87/1042418387.db2.gz BYYAWOBADUQPIW-UHFFFAOYSA-N 1 0 307.441 4.293 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H](CC)C2)c1 ZINC000236944338 1042418841 /nfs/dbraw/zinc/41/88/41/1042418841.db2.gz FHDLNLVIXITUCD-NXHRZFHOSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(OC)cc1 ZINC000236944274 1042419777 /nfs/dbraw/zinc/41/97/77/1042419777.db2.gz MFSYJXMVGHFSGG-YWZLYKJASA-N 1 0 324.424 4.227 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000614170614 1042421287 /nfs/dbraw/zinc/42/12/87/1042421287.db2.gz BGVZJSWAJQLJSJ-GOSISDBHSA-N 1 0 312.800 4.254 20 30 DIEDRO CC(C)(C)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000152745508 1042427224 /nfs/dbraw/zinc/42/72/24/1042427224.db2.gz QQQKUUGVXSURKK-UHFFFAOYSA-N 1 0 324.472 4.380 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)[C@@H](C)C2 ZINC000248419775 1042440515 /nfs/dbraw/zinc/44/05/15/1042440515.db2.gz VOINLLWWPATSRE-GCKMJXCFSA-N 1 0 320.436 4.482 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](CC)c2cc(F)ccc2F)cc1 ZINC000237013919 1042455459 /nfs/dbraw/zinc/45/54/59/1042455459.db2.gz RVWZFDLNZLDTEK-LJQANCHMSA-N 1 0 315.363 4.218 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419329030 1042470866 /nfs/dbraw/zinc/47/08/66/1042470866.db2.gz GEOLRZVIZQELLX-IAGOWNOFSA-N 1 0 306.494 4.234 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)c(F)c1 ZINC000614351537 1042475283 /nfs/dbraw/zinc/47/52/83/1042475283.db2.gz GDWQNXSCICEHOG-UHFFFAOYSA-N 1 0 315.388 4.031 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(F)c(F)c1 ZINC000614352517 1042478557 /nfs/dbraw/zinc/47/85/57/1042478557.db2.gz DCLOCOWBXRGCCM-UHFFFAOYSA-N 1 0 303.352 4.162 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 ZINC000182308230 1042482426 /nfs/dbraw/zinc/48/24/26/1042482426.db2.gz XHJZXQMLZUCSPE-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1c(F)cccc1F ZINC000614396658 1042489776 /nfs/dbraw/zinc/48/97/76/1042489776.db2.gz APPWCEAZNSBMKZ-ZDUSSCGKSA-N 1 0 300.352 4.338 20 30 DIEDRO CCN(Cc1ccc(C#N)cc1C)Cc1c(F)cccc1F ZINC000614397220 1042490345 /nfs/dbraw/zinc/49/03/45/1042490345.db2.gz CTGAIWDTWWRPLV-UHFFFAOYSA-N 1 0 300.352 4.167 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000614400874 1042491126 /nfs/dbraw/zinc/49/11/26/1042491126.db2.gz LRCWAGHLLQAUTF-IBGZPJMESA-N 1 0 308.450 4.157 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000614400875 1042491148 /nfs/dbraw/zinc/49/11/48/1042491148.db2.gz LRCWAGHLLQAUTF-LJQANCHMSA-N 1 0 308.450 4.157 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000614402118 1042491679 /nfs/dbraw/zinc/49/16/79/1042491679.db2.gz KWDCLQVPVRDEOZ-SFTDATJTSA-N 1 0 315.420 4.138 20 30 DIEDRO CCc1ccc([C@H]([NH2+]CCOc2cccc(C#N)c2)C(C)C)cc1 ZINC001167928847 1042495240 /nfs/dbraw/zinc/49/52/40/1042495240.db2.gz VZEGGUDKANXAAY-OAQYLSRUSA-N 1 0 322.452 4.486 20 30 DIEDRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000729267119 1042517305 /nfs/dbraw/zinc/51/73/05/1042517305.db2.gz JTEIPULRUPXPNB-KRWDZBQOSA-N 1 0 312.438 4.160 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)Cc2ccc(C)s2)cc1OC ZINC000513437390 1042541360 /nfs/dbraw/zinc/54/13/60/1042541360.db2.gz CUMGWQPRCFHXRS-UHFFFAOYSA-N 1 0 317.454 4.262 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccco1 ZINC000513684423 1042559570 /nfs/dbraw/zinc/55/95/70/1042559570.db2.gz RBTUDVXUAPXEQZ-MRXNPFEDSA-N 1 0 307.340 4.234 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C)cc1O ZINC000280156239 1042566270 /nfs/dbraw/zinc/56/62/70/1042566270.db2.gz QLAYEIWKQHOUNC-GOSISDBHSA-N 1 0 306.409 4.302 20 30 DIEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000513713019 1042594436 /nfs/dbraw/zinc/59/44/36/1042594436.db2.gz IZXYLAGYLDIYBN-BTRQGYIVSA-N 1 0 312.457 4.272 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000430039463 1042594895 /nfs/dbraw/zinc/59/48/95/1042594895.db2.gz YQARZTXYNBFGDI-UHFFFAOYSA-N 1 0 302.324 4.008 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccccc2CC(C)C)cc1C#N ZINC001203216036 1042615713 /nfs/dbraw/zinc/61/57/13/1042615713.db2.gz PKJDNNYSZSQSKK-UHFFFAOYSA-N 1 0 308.425 4.055 20 30 DIEDRO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618806760 1042619143 /nfs/dbraw/zinc/61/91/43/1042619143.db2.gz RSMIHBLNMCUSAD-VLIAUNLRSA-N 1 0 308.400 4.296 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cnccc2C(C)(C)C)cc1 ZINC000414499336 1042625676 /nfs/dbraw/zinc/62/56/76/1042625676.db2.gz OOWLXGSJZGOATO-UHFFFAOYSA-N 1 0 310.441 4.234 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)s2)ccc1C(F)(F)F ZINC000421352685 1042631523 /nfs/dbraw/zinc/63/15/23/1042631523.db2.gz RHSDJRFKQVCLHI-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC2CCC(C#N)CC2)C2CC2)c(F)c1 ZINC000421854219 1042656991 /nfs/dbraw/zinc/65/69/91/1042656991.db2.gz LCQKMYQZIXWXHR-MHVYXZCWSA-N 1 0 316.420 4.205 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc(C)n1 ZINC000421855520 1042657684 /nfs/dbraw/zinc/65/76/84/1042657684.db2.gz MMLCNEREJAZVHK-FQEVSTJZSA-N 1 0 305.425 4.127 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc2c(c1)CCN2 ZINC000423219863 1042701482 /nfs/dbraw/zinc/70/14/82/1042701482.db2.gz USPUHETUZSQDTL-FQEVSTJZSA-N 1 0 303.409 4.406 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000424145888 1042726798 /nfs/dbraw/zinc/72/67/98/1042726798.db2.gz VQQQRJUTMJLNCG-WBIUFABUSA-N 1 0 300.229 4.235 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000424134218 1042727766 /nfs/dbraw/zinc/72/77/66/1042727766.db2.gz HOSYXPQFTRSNGR-DCPHZVHLSA-N 1 0 311.425 4.090 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000424301065 1042731984 /nfs/dbraw/zinc/73/19/84/1042731984.db2.gz ZIIZRVCRMMJZDT-ZVZYQTTQSA-N 1 0 305.487 4.429 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000424318643 1042733958 /nfs/dbraw/zinc/73/39/58/1042733958.db2.gz DDKZYGZECQXLLK-XZJROXQQSA-N 1 0 308.347 4.438 20 30 DIEDRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424322598 1042733960 /nfs/dbraw/zinc/73/39/60/1042733960.db2.gz IIISGFMFQFRCNC-IVMMDQJWSA-N 1 0 310.363 4.308 20 30 DIEDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000514183613 1042771458 /nfs/dbraw/zinc/77/14/58/1042771458.db2.gz NPXMJNRVZZSISP-IBGZPJMESA-N 1 0 308.400 4.213 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000425366207 1042799169 /nfs/dbraw/zinc/79/91/69/1042799169.db2.gz ORSVMMBIXZFZCY-OAHLLOKOSA-N 1 0 324.424 4.077 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000515455920 1042821406 /nfs/dbraw/zinc/82/14/06/1042821406.db2.gz YZZSNPDFTYRSAK-LAUBAEHRSA-N 1 0 321.468 4.119 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000515479525 1042822401 /nfs/dbraw/zinc/82/24/01/1042822401.db2.gz RQIZUTGXBRMLAW-LLVKDONJSA-N 1 0 320.314 4.133 20 30 DIEDRO C[C@@H](c1ccccc1F)N(C)Cc1cn2ccccc2c1C#N ZINC000515502779 1042824797 /nfs/dbraw/zinc/82/47/97/1042824797.db2.gz IVLOFOJBVPIECW-AWEZNQCLSA-N 1 0 307.372 4.143 20 30 DIEDRO CCCCCCCCC(=O)N1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001270164284 1042847365 /nfs/dbraw/zinc/84/73/65/1042847365.db2.gz TYYMLTKTSXAFPC-LJQANCHMSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC001270238355 1042864784 /nfs/dbraw/zinc/86/47/84/1042864784.db2.gz RYEHCQMNFCTJKZ-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925027512 1042881780 /nfs/dbraw/zinc/88/17/80/1042881780.db2.gz KGBOLKXLXRUHBK-HNNXBMFYSA-N 1 0 311.429 4.024 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000519243838 1042940239 /nfs/dbraw/zinc/94/02/39/1042940239.db2.gz KVOORYVJXNFMSS-WBVHZDCISA-N 1 0 303.446 4.142 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000519294654 1042942954 /nfs/dbraw/zinc/94/29/54/1042942954.db2.gz VONNKDDDYLGHCJ-DOTOQJQBSA-N 1 0 316.408 4.012 20 30 DIEDRO C[N@H+](Cc1csc(C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000894527634 1042966132 /nfs/dbraw/zinc/96/61/32/1042966132.db2.gz ZYIJPZDBUHKZCF-TXEJJXNPSA-N 1 0 302.365 4.173 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3csc(C#N)c3)C2)c1 ZINC000894784572 1042977381 /nfs/dbraw/zinc/97/73/81/1042977381.db2.gz OICJPAOSYQYUKP-WKILWMFISA-N 1 0 312.438 4.006 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000341886435 1042982823 /nfs/dbraw/zinc/98/28/23/1042982823.db2.gz NPGIKIVDNZXVPD-IUODEOHRSA-N 1 0 311.878 4.041 20 30 DIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)cc1 ZINC000120882371 1042991062 /nfs/dbraw/zinc/99/10/62/1042991062.db2.gz BLHBRESCHKJSCS-GOSISDBHSA-N 1 0 312.438 4.356 20 30 DIEDRO CC[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)Oc1ccccc1F ZINC000519861238 1043006590 /nfs/dbraw/zinc/00/65/90/1043006590.db2.gz WMEPKZPVLQONRA-LPHOPBHVSA-N 1 0 324.399 4.132 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441072864 1043019474 /nfs/dbraw/zinc/01/94/74/1043019474.db2.gz XCIBMAPUQPFJRS-NSHDSACASA-N 1 0 304.381 4.308 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)cc1 ZINC000441199657 1043026772 /nfs/dbraw/zinc/02/67/72/1043026772.db2.gz BQKSTWQKGUECFY-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO C=C(C)C[N@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000520266321 1043030502 /nfs/dbraw/zinc/03/05/02/1043030502.db2.gz LFRYVUADVXCEKM-UHFFFAOYSA-N 1 0 315.436 4.437 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000441325252 1043036389 /nfs/dbraw/zinc/03/63/89/1043036389.db2.gz BHQYVRHIHLCBFJ-UHFFFAOYSA-N 1 0 317.483 4.291 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000441355782 1043038304 /nfs/dbraw/zinc/03/83/04/1043038304.db2.gz ZXDJWBQEKJFCRQ-UHFFFAOYSA-N 1 0 312.335 4.005 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000441341514 1043039448 /nfs/dbraw/zinc/03/94/48/1043039448.db2.gz ODDJYJIECZHJCK-MGPUTAFESA-N 1 0 324.399 4.159 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000441367897 1043041219 /nfs/dbraw/zinc/04/12/19/1043041219.db2.gz YKNYMVICDKMGHP-IBGZPJMESA-N 1 0 310.416 4.459 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000173918894 1043055886 /nfs/dbraw/zinc/05/58/86/1043055886.db2.gz JPOGEWISMHTTBL-HUUCEWRRSA-N 1 0 324.424 4.296 20 30 DIEDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000049091592 1043056176 /nfs/dbraw/zinc/05/61/76/1043056176.db2.gz PVGUGKIYBAEWEL-UHFFFAOYSA-N 1 0 304.315 4.209 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc3cccnc32)cc1 ZINC000120506115 1043083774 /nfs/dbraw/zinc/08/37/74/1043083774.db2.gz FCWCWPPCJRUZCZ-INIZCTEOSA-N 1 0 316.404 4.098 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](c2ncccc2C)C(C)C)cc1 ZINC000120517519 1043084355 /nfs/dbraw/zinc/08/43/55/1043084355.db2.gz DGSMSHFZTWMAFD-PXNSSMCTSA-N 1 0 322.452 4.450 20 30 DIEDRO C[C@@H](NC(=O)c1coc(C2CCCCC2)n1)C(C)(C)C[NH+](C)C ZINC000330421843 1043088817 /nfs/dbraw/zinc/08/88/17/1043088817.db2.gz AVTYCNOTQWKTDQ-CYBMUJFWSA-N 1 0 321.465 4.003 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2csc(C)c2C)c1 ZINC000865464139 1043101582 /nfs/dbraw/zinc/10/15/82/1043101582.db2.gz UNDARNDWDYUTDT-KRWDZBQOSA-N 1 0 314.454 4.336 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C)cc2F)c1 ZINC000865463925 1043101644 /nfs/dbraw/zinc/10/16/44/1043101644.db2.gz QMLSVESXXNGWLF-QGZVFWFLSA-N 1 0 312.388 4.105 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccccc1 ZINC000865579322 1043115065 /nfs/dbraw/zinc/11/50/65/1043115065.db2.gz YGKVXJDNSYPWSI-QGZVFWFLSA-N 1 0 321.380 4.058 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000177859727 1043116002 /nfs/dbraw/zinc/11/60/02/1043116002.db2.gz QANKNFQXWFQPBN-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000049160234 1043134083 /nfs/dbraw/zinc/13/40/83/1043134083.db2.gz NSNHQBJDPQGSQY-UONOGXRCSA-N 1 0 300.427 4.371 20 30 DIEDRO CC[N@H+](Cc1ccc2c[nH]nc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000179463305 1043147314 /nfs/dbraw/zinc/14/73/14/1043147314.db2.gz JYVPVHSFGUHWKN-CQSZACIVSA-N 1 0 304.397 4.018 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000866403110 1043198823 /nfs/dbraw/zinc/19/88/23/1043198823.db2.gz QTTONODAQHRBEZ-IPJUCJBFSA-N 1 0 314.498 4.123 20 30 DIEDRO CC(C)(C)OC1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000866451054 1043202750 /nfs/dbraw/zinc/20/27/50/1043202750.db2.gz OLZDFISZIXVSTK-FAFZWHIHSA-N 1 0 312.457 4.261 20 30 DIEDRO C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000866451590 1043202813 /nfs/dbraw/zinc/20/28/13/1043202813.db2.gz VWPOCKFOYNUXLT-NNGSBXSVSA-N 1 0 300.446 4.335 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)c(C)o1 ZINC000866448348 1043203503 /nfs/dbraw/zinc/20/35/03/1043203503.db2.gz DNJZZLQZDAPAID-OAHLLOKOSA-N 1 0 323.440 4.088 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)cc1F ZINC000866609694 1043231984 /nfs/dbraw/zinc/23/19/84/1043231984.db2.gz MYUDWPIRPSKLJP-PSOPSSQASA-N 1 0 312.310 4.245 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000520604406 1043233494 /nfs/dbraw/zinc/23/34/94/1043233494.db2.gz RRWKOFFCAQYGLQ-LIRRHRJNSA-N 1 0 312.388 4.206 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)CC2 ZINC000866610097 1043234226 /nfs/dbraw/zinc/23/42/26/1043234226.db2.gz QOOOVBCYTHQVOC-OWCLPIDISA-N 1 0 306.331 4.032 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000186994396 1043240202 /nfs/dbraw/zinc/24/02/02/1043240202.db2.gz CTQDCTNCVIFMCE-INIZCTEOSA-N 1 0 318.420 4.214 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCOC(F)F)cc1 ZINC000194037978 1043250401 /nfs/dbraw/zinc/25/04/01/1043250401.db2.gz FEEGJJNOTONKJZ-LBPRGKRZSA-N 1 0 319.779 4.098 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000121934369 1043267513 /nfs/dbraw/zinc/26/75/13/1043267513.db2.gz VQJMAAFVCOTMCN-CHWSQXEVSA-N 1 0 316.351 4.106 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268399512 1043319543 /nfs/dbraw/zinc/31/95/43/1043319543.db2.gz ULDWDFPUNZVQOC-SJORKVTESA-N 1 0 318.461 4.278 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2)cc1 ZINC000268764289 1043330100 /nfs/dbraw/zinc/33/01/00/1043330100.db2.gz IUBHRFJKLWBCTM-HNNXBMFYSA-N 1 0 316.832 4.372 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1 ZINC000268823719 1043334442 /nfs/dbraw/zinc/33/44/42/1043334442.db2.gz MNPVQMDMUKGXJI-INIZCTEOSA-N 1 0 322.408 4.007 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1 ZINC000268831127 1043335902 /nfs/dbraw/zinc/33/59/02/1043335902.db2.gz OLWPPEXRCKBJEH-INIZCTEOSA-N 1 0 322.408 4.007 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(N(C)C)cc1 ZINC000268826049 1043336215 /nfs/dbraw/zinc/33/62/15/1043336215.db2.gz UHHYYZDKMCNCBN-QRWLVFNGSA-N 1 0 307.441 4.426 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000442647905 1043400044 /nfs/dbraw/zinc/40/00/44/1043400044.db2.gz LCNGUONZDAPBPS-RDJZCZTQSA-N 1 0 310.372 4.400 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000442647907 1043400449 /nfs/dbraw/zinc/40/04/49/1043400449.db2.gz LCNGUONZDAPBPS-WBVHZDCISA-N 1 0 310.372 4.400 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000442655665 1043401296 /nfs/dbraw/zinc/40/12/96/1043401296.db2.gz VKHOTVFUSAOJQW-PXNSSMCTSA-N 1 0 304.437 4.490 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000442717259 1043412556 /nfs/dbraw/zinc/41/25/56/1043412556.db2.gz NLISBXZKIDQKGB-RXVVDRJESA-N 1 0 320.436 4.185 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(C#N)cc1 ZINC000871937012 1043417097 /nfs/dbraw/zinc/41/70/97/1043417097.db2.gz QXAJBIZKGWMSIY-RYUDHWBXSA-N 1 0 319.330 4.384 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000442780769 1043416962 /nfs/dbraw/zinc/41/69/62/1043416962.db2.gz LOFXLEUAJJFTKH-RHSMWYFYSA-N 1 0 302.849 4.434 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000442786080 1043418331 /nfs/dbraw/zinc/41/83/31/1043418331.db2.gz SOWJTGYJMYSIAN-VQTJNVASSA-N 1 0 320.436 4.090 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)s2)cc1 ZINC000442784481 1043418842 /nfs/dbraw/zinc/41/88/42/1043418842.db2.gz PTEFOSQVLPXNLH-DZGCQCFKSA-N 1 0 312.438 4.206 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000442785904 1043418868 /nfs/dbraw/zinc/41/88/68/1043418868.db2.gz WJPQGFXCRLJVTM-RBUKOAKNSA-N 1 0 306.409 4.047 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3cccc(F)c3)CCCCC2)C1 ZINC000442766720 1043422178 /nfs/dbraw/zinc/42/21/78/1043422178.db2.gz LLUQYPVYMAEZIQ-QAPCUYQASA-N 1 0 300.421 4.309 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000925517425 1043423954 /nfs/dbraw/zinc/42/39/54/1043423954.db2.gz GUINIQXINPRAII-LLVKDONJSA-N 1 0 321.877 4.410 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000271500960 1043426183 /nfs/dbraw/zinc/42/61/83/1043426183.db2.gz MBJSWCFUQLBORY-YJBOKZPZSA-N 1 0 308.381 4.318 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925528408 1043426716 /nfs/dbraw/zinc/42/67/16/1043426716.db2.gz TWTKPKNLJCKJCS-JTQLQIEISA-N 1 0 304.743 4.208 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925528409 1043426992 /nfs/dbraw/zinc/42/69/92/1043426992.db2.gz TWTKPKNLJCKJCS-SNVBAGLBSA-N 1 0 304.743 4.208 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000442817024 1043428428 /nfs/dbraw/zinc/42/84/28/1043428428.db2.gz LPSCNMPAQRAJEP-PMACEKPBSA-N 1 0 320.436 4.090 20 30 DIEDRO CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442825605 1043429781 /nfs/dbraw/zinc/42/97/81/1043429781.db2.gz LFTFRELYICQDHD-CFVMTHIKSA-N 1 0 321.262 4.052 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000442836088 1043433938 /nfs/dbraw/zinc/43/39/38/1043433938.db2.gz GKVXWMKVRQLNCO-DZGCQCFKSA-N 1 0 304.384 4.058 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442844180 1043434200 /nfs/dbraw/zinc/43/42/00/1043434200.db2.gz FORXYQNCUUGABY-LPHOPBHVSA-N 1 0 301.393 4.007 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](COc2ccccc2)c2ccccc2)C1 ZINC000442860614 1043436213 /nfs/dbraw/zinc/43/62/13/1043436213.db2.gz LHPJJKVTNPIJML-YVWKXTFCSA-N 1 0 306.409 4.089 20 30 DIEDRO CCc1nc2c(s1)[C@H]([NH2+]CC1CCC(C#N)CC1)CCC2 ZINC000442860863 1043436681 /nfs/dbraw/zinc/43/66/81/1043436681.db2.gz XBBVKTOOHJOQPI-JXQTWKCFSA-N 1 0 303.475 4.002 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000925619709 1043437472 /nfs/dbraw/zinc/43/74/72/1043437472.db2.gz QVWQURFTVXRFJF-RYRKJORJSA-N 1 0 300.446 4.072 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000442874399 1043441220 /nfs/dbraw/zinc/44/12/20/1043441220.db2.gz NABAXAWHABVDAP-MQBCKMQZSA-N 1 0 318.848 4.473 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1nc2c(s1)CCCC2 ZINC000442857243 1043445440 /nfs/dbraw/zinc/44/54/40/1043445440.db2.gz PMAXRIUHVPLQKD-IYXRBSQSSA-N 1 0 303.475 4.002 20 30 DIEDRO COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442876716 1043445821 /nfs/dbraw/zinc/44/58/21/1043445821.db2.gz QECAZRGROQEHJF-XAUMDUMWSA-N 1 0 306.409 4.066 20 30 DIEDRO COc1ccccc1[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442876714 1043446015 /nfs/dbraw/zinc/44/60/15/1043446015.db2.gz QECAZRGROQEHJF-WRWLIDTKSA-N 1 0 306.409 4.066 20 30 DIEDRO CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)CCC#N ZINC000872070919 1043447270 /nfs/dbraw/zinc/44/72/70/1043447270.db2.gz JCBCCAFNYKYPDG-GOSISDBHSA-N 1 0 320.452 4.081 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000442892142 1043450208 /nfs/dbraw/zinc/45/02/08/1043450208.db2.gz DTILXDGMYAONJB-INIZCTEOSA-N 1 0 313.404 4.280 20 30 DIEDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)ccc1C#N ZINC000442889659 1043450483 /nfs/dbraw/zinc/45/04/83/1043450483.db2.gz LBQHXSGWXDORIR-QGZVFWFLSA-N 1 0 310.397 4.277 20 30 DIEDRO C=C(C)CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872076281 1043452521 /nfs/dbraw/zinc/45/25/21/1043452521.db2.gz YSUJPLHSVUQNAP-GDBMZVCRSA-N 1 0 324.262 4.083 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1F ZINC000872079820 1043452580 /nfs/dbraw/zinc/45/25/80/1043452580.db2.gz LBWVECLVOIJWJY-SJKOYZFVSA-N 1 0 310.372 4.131 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872076284 1043452784 /nfs/dbraw/zinc/45/27/84/1043452784.db2.gz YSUJPLHSVUQNAP-ZBFHGGJFSA-N 1 0 324.262 4.083 20 30 DIEDRO C=CC[N@@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000521714818 1043459469 /nfs/dbraw/zinc/45/94/69/1043459469.db2.gz BXBXLGCTEBXKHW-PXNSSMCTSA-N 1 0 312.457 4.142 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000348687292 1043461765 /nfs/dbraw/zinc/46/17/65/1043461765.db2.gz UBTCVHGMYAUDRB-AUUYWEPGSA-N 1 0 321.424 4.080 20 30 DIEDRO CCCc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cn2)C(C)C)cc1 ZINC000558244534 1043471932 /nfs/dbraw/zinc/47/19/32/1043471932.db2.gz CBBFJFOSVXWQFM-FQEVSTJZSA-N 1 0 307.441 4.393 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000872139004 1043478222 /nfs/dbraw/zinc/47/82/22/1043478222.db2.gz CMQUHCXLJFCFPI-ATZDWAIDSA-N 1 0 303.421 4.075 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000872140509 1043479197 /nfs/dbraw/zinc/47/91/97/1043479197.db2.gz PQBPQXRTBXHWMB-YEWWUXTCSA-N 1 0 312.413 4.012 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000521821690 1043487331 /nfs/dbraw/zinc/48/73/31/1043487331.db2.gz QJWRQDZPKNKWPT-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](OC4CCC4)CC3)cc2)CC1 ZINC000872259718 1043487739 /nfs/dbraw/zinc/48/77/39/1043487739.db2.gz HIUIKSRBVFJXKO-HXUWFJFHSA-N 1 0 324.468 4.165 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(OC)cc1Br ZINC000717910390 1043491344 /nfs/dbraw/zinc/49/13/44/1043491344.db2.gz GXLZRCNFVKMMKL-UHFFFAOYSA-N 1 0 312.251 4.292 20 30 DIEDRO C=C(C)C[N@@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000521859888 1043494291 /nfs/dbraw/zinc/49/42/91/1043494291.db2.gz XOCJVLMYPVZPOS-CYBMUJFWSA-N 1 0 301.352 4.291 20 30 DIEDRO Cc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc(C)c1O ZINC000558403700 1043500585 /nfs/dbraw/zinc/50/05/85/1043500585.db2.gz FROBMLRFWBSNDM-UHFFFAOYSA-N 1 0 318.420 4.170 20 30 DIEDRO N#CCCC[NH2+][C@@H](Cc1ccc(F)cc1Cl)c1ccco1 ZINC000926133860 1043534169 /nfs/dbraw/zinc/53/41/69/1043534169.db2.gz UJBONIJRVMKKGC-HNNXBMFYSA-N 1 0 306.768 4.249 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(C)(C)O)cc1 ZINC000926314308 1043561346 /nfs/dbraw/zinc/56/13/46/1043561346.db2.gz HLMOMTHSIAIUBB-VBKZILBWSA-N 1 0 320.436 4.124 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926312958 1043561555 /nfs/dbraw/zinc/56/15/55/1043561555.db2.gz CJNKYDZNEMWYJN-QZTJIDSGSA-N 1 0 323.827 4.261 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc2ccccc2[nH]1 ZINC000926318235 1043562205 /nfs/dbraw/zinc/56/22/05/1043562205.db2.gz VKCXEWYWVWZXIN-YJYMSZOUSA-N 1 0 301.393 4.378 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000926342281 1043565048 /nfs/dbraw/zinc/56/50/48/1043565048.db2.gz JOEUGIHCZAALII-ACRUOGEOSA-N 1 0 322.452 4.050 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(C)cc1)c1cccnc1 ZINC000926342283 1043566007 /nfs/dbraw/zinc/56/60/07/1043566007.db2.gz JOEUGIHCZAALII-HBMCJLEFSA-N 1 0 322.452 4.050 20 30 DIEDRO C=CCCC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000443465502 1043568053 /nfs/dbraw/zinc/56/80/53/1043568053.db2.gz XOIWFENJLLGJBV-FQEVSTJZSA-N 1 0 311.425 4.349 20 30 DIEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+]2C[C@H](C)CCC=C(C)C)C1=O ZINC001275068310 1043570585 /nfs/dbraw/zinc/57/05/85/1043570585.db2.gz GGRDFUVYCHVCSO-QUCCMNQESA-N 1 0 318.505 4.012 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)cc1 ZINC000926401696 1043573750 /nfs/dbraw/zinc/57/37/50/1043573750.db2.gz QPDLYVGEDITOSD-QGZVFWFLSA-N 1 0 314.816 4.077 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000926402720 1043574863 /nfs/dbraw/zinc/57/48/63/1043574863.db2.gz XPSHIYOKOYCCFS-MRXNPFEDSA-N 1 0 323.440 4.079 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cccc(Cl)c1 ZINC000124945324 1043575704 /nfs/dbraw/zinc/57/57/04/1043575704.db2.gz ZBRKXXVMEWECFT-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO CCCCCCCCC[NH+]1CCC2(CCC(=O)N(C)C2)CC1 ZINC001275118714 1043576230 /nfs/dbraw/zinc/57/62/30/1043576230.db2.gz GSSBEWZZAGAUGM-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@]2(CCN([C@@H](C)CC)C2=O)C1 ZINC001275114108 1043576771 /nfs/dbraw/zinc/57/67/71/1043576771.db2.gz JRIUESDYBXIECC-PKOBYXMFSA-N 1 0 308.510 4.070 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@H+]2CC[C@@H](C)CCC=C(C)C)C1=O ZINC001275123538 1043576920 /nfs/dbraw/zinc/57/69/20/1043576920.db2.gz HIUABNHVDQEXBX-ICSRJNTNSA-N 1 0 318.505 4.012 20 30 DIEDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001143592135 1043578536 /nfs/dbraw/zinc/57/85/36/1043578536.db2.gz PSBBLMSEIXRGOE-FQEVSTJZSA-N 1 0 324.399 4.049 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@H+]2CC[C@H](C)CCC=C(C)C)C1=O ZINC001275123540 1043578609 /nfs/dbraw/zinc/57/86/09/1043578609.db2.gz HIUABNHVDQEXBX-UYAOXDASSA-N 1 0 318.505 4.012 20 30 DIEDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1Cl ZINC000825726605 1043579457 /nfs/dbraw/zinc/57/94/57/1043579457.db2.gz TWMSSQAJWWVOGF-KRWDZBQOSA-N 1 0 312.800 4.003 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1(Br)CC1 ZINC000926479245 1043583218 /nfs/dbraw/zinc/58/32/18/1043583218.db2.gz ITFGSFUZRGNCDR-UKRRQHHQSA-N 1 0 321.262 4.327 20 30 DIEDRO CC(F)(F)C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000926487629 1043585059 /nfs/dbraw/zinc/58/50/59/1043585059.db2.gz XUDLLGVOKYZFFY-UHFFFAOYSA-N 1 0 301.221 4.285 20 30 DIEDRO CCC1(C)CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000353145184 1043589134 /nfs/dbraw/zinc/58/91/34/1043589134.db2.gz WEIVTVWMEVHTNZ-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353274386 1043595073 /nfs/dbraw/zinc/59/50/73/1043595073.db2.gz PDHMZLGHNUZGRI-PMACEKPBSA-N 1 0 318.420 4.221 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353274789 1043596082 /nfs/dbraw/zinc/59/60/82/1043596082.db2.gz PDHMZLGHNUZGRI-WOJBJXKFSA-N 1 0 318.420 4.221 20 30 DIEDRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000353302791 1043597360 /nfs/dbraw/zinc/59/73/60/1043597360.db2.gz FCGVUYMBACCUJF-ACJLOTCBSA-N 1 0 310.372 4.180 20 30 DIEDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000353302794 1043597988 /nfs/dbraw/zinc/59/79/88/1043597988.db2.gz FCGVUYMBACCUJF-SCLBCKFNSA-N 1 0 310.372 4.180 20 30 DIEDRO CCOC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)C ZINC000474095003 1043598346 /nfs/dbraw/zinc/59/83/46/1043598346.db2.gz KBYHYSDHHVVLKZ-IOJLRTSASA-N 1 0 314.473 4.041 20 30 DIEDRO CCC[C@H](NCc1ccc(C#N)c(F)c1)c1ncccc1Cl ZINC000926551029 1043598267 /nfs/dbraw/zinc/59/82/67/1043598267.db2.gz QHJFZGHDLJVTJL-INIZCTEOSA-N 1 0 317.795 4.377 20 30 DIEDRO COc1ccc([C@@H](N[C@H](C)CC(C)(C)C#N)c2ccco2)cc1 ZINC000926549988 1043599517 /nfs/dbraw/zinc/59/95/17/1043599517.db2.gz IEEFFYQZHNWZCL-RDTXWAMCSA-N 1 0 312.413 4.296 20 30 DIEDRO Cc1cc(C)cc([C@@H]([NH2+]CC(C)(C)CC#N)c2cccnc2)c1 ZINC000926569751 1043600590 /nfs/dbraw/zinc/60/05/90/1043600590.db2.gz SVRYTEYPHDPJJP-IBGZPJMESA-N 1 0 307.441 4.317 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccco1 ZINC000353405504 1043605264 /nfs/dbraw/zinc/60/52/64/1043605264.db2.gz OGWVITFVNWZPCO-IBGZPJMESA-N 1 0 321.424 4.322 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc(-n2ccnc2)cc1 ZINC000353417320 1043606173 /nfs/dbraw/zinc/60/61/73/1043606173.db2.gz SPGLDOLMDZBLBU-UHFFFAOYSA-N 1 0 310.445 4.024 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cnn(C2CCC2)c1 ZINC000926599404 1043606162 /nfs/dbraw/zinc/60/61/62/1043606162.db2.gz FYDBHFQTWKKLMK-XOBRGWDASA-N 1 0 320.440 4.208 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cnn(C2CCC2)c1 ZINC000926599397 1043606335 /nfs/dbraw/zinc/60/63/35/1043606335.db2.gz FYDBHFQTWKKLMK-VBKZILBWSA-N 1 0 320.440 4.208 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)c1ccco1 ZINC000353434997 1043607540 /nfs/dbraw/zinc/60/75/40/1043607540.db2.gz KYFUXICPYRNWCA-LJQANCHMSA-N 1 0 321.424 4.322 20 30 DIEDRO CC[C@H]([NH2+]CC1(COC)CCCCC1)c1ccc(C#N)cc1 ZINC000353541244 1043615235 /nfs/dbraw/zinc/61/52/35/1043615235.db2.gz RISXPSHZVLJZDA-SFHVURJKSA-N 1 0 300.446 4.196 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000926678282 1043616282 /nfs/dbraw/zinc/61/62/82/1043616282.db2.gz QMJWZFFNVAOMKC-GJZGRUSLSA-N 1 0 319.880 4.084 20 30 DIEDRO CC[C@@H]([NH2+]CC1(COC)CCCCC1)c1ccc(C#N)cc1 ZINC000353541243 1043616438 /nfs/dbraw/zinc/61/64/38/1043616438.db2.gz RISXPSHZVLJZDA-GOSISDBHSA-N 1 0 300.446 4.196 20 30 DIEDRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1(CC#N)CC1 ZINC000430755677 1043620591 /nfs/dbraw/zinc/62/05/91/1043620591.db2.gz RDXSCULHETUEAG-AWEZNQCLSA-N 1 0 308.878 4.494 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3ccc(F)cc31)CC2 ZINC000353583269 1043620877 /nfs/dbraw/zinc/62/08/77/1043620877.db2.gz XMDVORXWRIMXKV-PMACEKPBSA-N 1 0 306.384 4.352 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353582207 1043620891 /nfs/dbraw/zinc/62/08/91/1043620891.db2.gz PFNVLHRGGRHMOH-YJYMSZOUSA-N 1 0 322.456 4.156 20 30 DIEDRO N#CCC[N@H+](Cc1ccc2nccnc2c1)C1CCCCCCC1 ZINC001137087576 1043623209 /nfs/dbraw/zinc/62/32/09/1043623209.db2.gz BHYRTDDCWQGMJR-UHFFFAOYSA-N 1 0 322.456 4.458 20 30 DIEDRO C=CC1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000353611184 1043623546 /nfs/dbraw/zinc/62/35/46/1043623546.db2.gz XXTMNGNLUGNPIW-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)ccc1C#N ZINC000353626852 1043625560 /nfs/dbraw/zinc/62/55/60/1043625560.db2.gz UYDVDRDNPDQMMZ-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2(CC#N)CC2)cc1 ZINC000353640361 1043628082 /nfs/dbraw/zinc/62/80/82/1043628082.db2.gz UNBXIQNGFREKEI-FQEVSTJZSA-N 1 0 320.436 4.262 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOc3c(F)cccc31)CC2 ZINC000353662522 1043629444 /nfs/dbraw/zinc/62/94/44/1043629444.db2.gz SHCUGOFNEFEYOR-RBUKOAKNSA-N 1 0 322.383 4.188 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000926779716 1043631620 /nfs/dbraw/zinc/63/16/20/1043631620.db2.gz RWLAJGIMDRZAHM-XZJROXQQSA-N 1 0 324.827 4.227 20 30 DIEDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353667791 1043632104 /nfs/dbraw/zinc/63/21/04/1043632104.db2.gz VVRFTIOQFVTFBM-KRWDZBQOSA-N 1 0 320.436 4.316 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000926828333 1043640232 /nfs/dbraw/zinc/64/02/32/1043640232.db2.gz FYQLOABTSQUAHQ-SECBINFHSA-N 1 0 319.758 4.172 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895337338 1043642316 /nfs/dbraw/zinc/64/23/16/1043642316.db2.gz ILXBHJRQTMKOIT-LLVKDONJSA-N 1 0 304.381 4.036 20 30 DIEDRO C=CCCC[C@@H]([NH2+][C@@H](C)c1cc(OC)no1)c1ccccc1 ZINC000926856747 1043644577 /nfs/dbraw/zinc/64/45/77/1043644577.db2.gz YYPVKPAROQHDHL-GOEBONIOSA-N 1 0 300.402 4.431 20 30 DIEDRO C[C@@H](Nc1ccc(CCC#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926892920 1043648023 /nfs/dbraw/zinc/64/80/23/1043648023.db2.gz MGZMHMATLFXHLQ-MRXNPFEDSA-N 1 0 307.441 4.377 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1C ZINC000926903449 1043651796 /nfs/dbraw/zinc/65/17/96/1043651796.db2.gz WNFRDYWUBXYRPA-KBPBESRZSA-N 1 0 312.388 4.426 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000353918079 1043656589 /nfs/dbraw/zinc/65/65/89/1043656589.db2.gz XJUIAOOCJUQLGV-QGZVFWFLSA-N 1 0 320.396 4.194 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000353915288 1043656677 /nfs/dbraw/zinc/65/66/77/1043656677.db2.gz NDBPJGPADUOFPI-HXUWFJFHSA-N 1 0 318.420 4.487 20 30 DIEDRO COc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000353916653 1043657144 /nfs/dbraw/zinc/65/71/44/1043657144.db2.gz RAJNOQZQNYMIMK-LJQANCHMSA-N 1 0 324.424 4.229 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1 ZINC000353915250 1043657576 /nfs/dbraw/zinc/65/75/76/1043657576.db2.gz MPDMSORERZKVHL-GOSISDBHSA-N 1 0 300.352 4.490 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000353914025 1043657583 /nfs/dbraw/zinc/65/75/83/1043657583.db2.gz KIFVRNSPPKQEKN-SFHVURJKSA-N 1 0 300.352 4.490 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000353918456 1043658674 /nfs/dbraw/zinc/65/86/74/1043658674.db2.gz YFQBJVDLRLTPOT-GOSISDBHSA-N 1 0 309.369 4.120 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cccc2oc(C)nc21)c1cccc(C#N)c1 ZINC000926971056 1043663584 /nfs/dbraw/zinc/66/35/84/1043663584.db2.gz YVPBUABBWQOECQ-GOSISDBHSA-N 1 0 319.408 4.291 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1[C@H](c3ccccc3)C1(F)F)CC2 ZINC000926975248 1043665541 /nfs/dbraw/zinc/66/55/41/1043665541.db2.gz AJECSRPYIFYRMG-OTWHNJEPSA-N 1 0 324.374 4.184 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1 ZINC000353981692 1043669765 /nfs/dbraw/zinc/66/97/65/1043669765.db2.gz WOBITMAWJKZCMX-SCLBCKFNSA-N 1 0 304.397 4.236 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000927036678 1043669816 /nfs/dbraw/zinc/66/98/16/1043669816.db2.gz LGKHATIGCFHLKZ-IUODEOHRSA-N 1 0 304.434 4.166 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000927036680 1043670389 /nfs/dbraw/zinc/67/03/89/1043670389.db2.gz LGKHATIGCFHLKZ-SWLSCSKDSA-N 1 0 304.434 4.166 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cc(C#N)ccn2)C2CCC2)cc1 ZINC000927065321 1043679925 /nfs/dbraw/zinc/67/99/25/1043679925.db2.gz CSQLIIUBFLYYGY-VLIAUNLRSA-N 1 0 321.424 4.154 20 30 DIEDRO CC(C)[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000927072548 1043683147 /nfs/dbraw/zinc/68/31/47/1043683147.db2.gz XHYKVMHXJWVITQ-PMACEKPBSA-N 1 0 322.456 4.046 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000927114837 1043691386 /nfs/dbraw/zinc/69/13/86/1043691386.db2.gz HASXTNIHPUKSBI-VBKZILBWSA-N 1 0 324.399 4.052 20 30 DIEDRO C[C@H]1CC(NCC#CC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168030748 1043703406 /nfs/dbraw/zinc/70/34/06/1043703406.db2.gz XBVWKUQZWNQIIS-ROUUACIJSA-N 1 0 312.501 4.067 20 30 DIEDRO CC(C)Oc1cc(Cl)ccc1C[NH2+]C1CCC(C#N)CC1 ZINC000895538503 1043703734 /nfs/dbraw/zinc/70/37/34/1043703734.db2.gz FNSHVDRAFVVRFP-UHFFFAOYSA-N 1 0 306.837 4.299 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@]2(CCN(CC(=C)C)C2=O)C1 ZINC001275336937 1043708225 /nfs/dbraw/zinc/70/82/25/1043708225.db2.gz MKMPLFCFUBQZJH-FQEVSTJZSA-N 1 0 318.505 4.014 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(F)cc1 ZINC000876903520 1043723950 /nfs/dbraw/zinc/72/39/50/1043723950.db2.gz VZOMFRZOOISPNT-MRXNPFEDSA-N 1 0 317.795 4.233 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(F)cc1 ZINC000876903519 1043724150 /nfs/dbraw/zinc/72/41/50/1043724150.db2.gz VZOMFRZOOISPNT-INIZCTEOSA-N 1 0 317.795 4.233 20 30 DIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H](C)CCC#N)CCCC2 ZINC000895656770 1043726798 /nfs/dbraw/zinc/72/67/98/1043726798.db2.gz TXYFSEWKTYTBBX-RHSMWYFYSA-N 1 0 316.445 4.001 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000126264171 1043728383 /nfs/dbraw/zinc/72/83/83/1043728383.db2.gz CRWJGAXDIDUIPP-GJZGRUSLSA-N 1 0 323.864 4.284 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)CC[P@](C)(=O)OCC)c1ccncc1 ZINC000877046227 1043737361 /nfs/dbraw/zinc/73/73/61/1043737361.db2.gz JLMMPFPQGQHURZ-IVZHQMGZSA-N 1 0 310.378 4.011 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cccc(OC(F)(F)F)c1 ZINC000877093105 1043742348 /nfs/dbraw/zinc/74/23/48/1043742348.db2.gz FBFIORVGQRAPGB-NWDGAFQWSA-N 1 0 300.324 4.176 20 30 DIEDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877130752 1043747785 /nfs/dbraw/zinc/74/77/85/1043747785.db2.gz TUYPSYAGJMPKNH-SJCJKPOMSA-N 1 0 311.816 4.020 20 30 DIEDRO C=C(C)C[NH+]1CCC(NCc2c(Cl)cccc2CC)CC1 ZINC000474355769 1043747784 /nfs/dbraw/zinc/74/77/84/1043747784.db2.gz SSPOSVPXRKCPBX-UHFFFAOYSA-N 1 0 306.881 4.033 20 30 DIEDRO C#CC1([NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC001168033532 1043752745 /nfs/dbraw/zinc/75/27/45/1043752745.db2.gz MBFSEVSGDOJUIT-OALUTQOASA-N 1 0 324.512 4.354 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)cc1 ZINC001137119369 1043757718 /nfs/dbraw/zinc/75/77/18/1043757718.db2.gz JQHWJADEYDWUIC-LJQANCHMSA-N 1 0 310.372 4.065 20 30 DIEDRO N#CC1CCC([NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000877381054 1043759932 /nfs/dbraw/zinc/75/99/32/1043759932.db2.gz ZGXIJBBMRHFAOE-VYHPPPRESA-N 1 0 320.436 4.059 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000877550421 1043774329 /nfs/dbraw/zinc/77/43/29/1043774329.db2.gz WQQAERBLSXOKQS-QGZVFWFLSA-N 1 0 324.815 4.131 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000877620725 1043781694 /nfs/dbraw/zinc/78/16/94/1043781694.db2.gz MHJPETCJZMRDFC-CQSZACIVSA-N 1 0 317.433 4.063 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1cc(-c2ccccc2OC)no1 ZINC000877642762 1043783072 /nfs/dbraw/zinc/78/30/72/1043783072.db2.gz TUUVFBMYKPEFSX-UHFFFAOYSA-N 1 0 312.413 4.024 20 30 DIEDRO CCC(CC)(C[NH2+][C@@H](C)CC1(C#N)CCOCC1)C(F)(F)F ZINC000877707973 1043790497 /nfs/dbraw/zinc/79/04/97/1043790497.db2.gz UGRLKRMATRCPRV-ZDUSSCGKSA-N 1 0 320.399 4.044 20 30 DIEDRO C[N@@H+](Cc1ccccc1N1CCCC1)CC1CCC(C#N)CC1 ZINC000929091964 1043790986 /nfs/dbraw/zinc/79/09/86/1043790986.db2.gz XFAKIAYBBOUTHI-UHFFFAOYSA-N 1 0 311.473 4.049 20 30 DIEDRO N#CC1CCC([NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000877759791 1043794960 /nfs/dbraw/zinc/79/49/60/1043794960.db2.gz YMVAXIFEHUBGLW-VFBMKALASA-N 1 0 318.848 4.232 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929164914 1043795431 /nfs/dbraw/zinc/79/54/31/1043795431.db2.gz PFQBOQHPTSSUQH-QZTJIDSGSA-N 1 0 312.363 4.039 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000877804857 1043799580 /nfs/dbraw/zinc/79/95/80/1043799580.db2.gz CZZOAFWBKICEQI-CQSZACIVSA-N 1 0 320.502 4.234 20 30 DIEDRO COCCCC[N@@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000929344702 1043811738 /nfs/dbraw/zinc/81/17/38/1043811738.db2.gz ZYLAGILMBCJCSV-UHFFFAOYSA-N 1 0 314.473 4.245 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCC(C#N)CC1 ZINC000929338474 1043811809 /nfs/dbraw/zinc/81/18/09/1043811809.db2.gz VPFUUKMZQWJITO-UHFFFAOYSA-N 1 0 315.417 4.135 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035253561 1043820182 /nfs/dbraw/zinc/82/01/82/1043820182.db2.gz GIQFWIDGFCBUCP-LBPRGKRZSA-N 1 0 305.830 4.264 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)c1ccccc1)c1ccccc1 ZINC000877917872 1043823096 /nfs/dbraw/zinc/82/30/96/1043823096.db2.gz IBUXJSRDESMLLF-UTKZUKDTSA-N 1 0 320.436 4.120 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000929668389 1043831973 /nfs/dbraw/zinc/83/19/73/1043831973.db2.gz HTWCFZZRRVZYQP-LEOMRAHMSA-N 1 0 300.471 4.106 20 30 DIEDRO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CCCCC1 ZINC000877963645 1043832240 /nfs/dbraw/zinc/83/22/40/1043832240.db2.gz IEMIUQQAQACQTG-FQEVSTJZSA-N 1 0 312.457 4.082 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1C1CCCC1)c1ccccc1 ZINC000877986002 1043834979 /nfs/dbraw/zinc/83/49/79/1043834979.db2.gz IGXLVOXKVBATOX-SFTDATJTSA-N 1 0 324.468 4.082 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878134371 1043852421 /nfs/dbraw/zinc/85/24/21/1043852421.db2.gz PCBYTBUOWDGSMB-GKBFQHABSA-N 1 0 324.468 4.080 20 30 DIEDRO N#CCC1(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000878175160 1043855046 /nfs/dbraw/zinc/85/50/46/1043855046.db2.gz XVLDFJXKPCIZFO-HZPDHXFCSA-N 1 0 318.486 4.110 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C(C)C)C1CCCC1)c1ccccc1 ZINC000878234549 1043859378 /nfs/dbraw/zinc/85/93/78/1043859378.db2.gz YMOZQEXUDORSBL-HXUWFJFHSA-N 1 0 312.457 4.080 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)C(C)C ZINC000929979515 1043862290 /nfs/dbraw/zinc/86/22/90/1043862290.db2.gz FUWUPAALSKCWJQ-QGZVFWFLSA-N 1 0 313.832 4.402 20 30 DIEDRO Cc1nc(C(C)(C)NCc2cc(Cl)cc(C#N)c2)sc1C ZINC000930008952 1043866502 /nfs/dbraw/zinc/86/65/02/1043866502.db2.gz IQAQZASIXIULGI-UHFFFAOYSA-N 1 0 319.861 4.310 20 30 DIEDRO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000930015213 1043869152 /nfs/dbraw/zinc/86/91/52/1043869152.db2.gz GYLZKAXYAGVZCP-RJYAGPCLSA-N 1 0 322.456 4.040 20 30 DIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCCC2(C#N)CCC2)c1 ZINC000930190103 1043891428 /nfs/dbraw/zinc/89/14/28/1043891428.db2.gz GDWJFWJEAUDVHG-HNNXBMFYSA-N 1 0 313.445 4.160 20 30 DIEDRO N#Cc1cncc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000930217015 1043895409 /nfs/dbraw/zinc/89/54/09/1043895409.db2.gz QTWXKFIRKJLQBR-SFHVURJKSA-N 1 0 311.816 4.238 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930226221 1043900292 /nfs/dbraw/zinc/90/02/92/1043900292.db2.gz KGMRFAHHAAVWDJ-GOSISDBHSA-N 1 0 313.832 4.484 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930238400 1043903271 /nfs/dbraw/zinc/90/32/71/1043903271.db2.gz NZPXFDJGCPODDW-OCBCSQNSSA-N 1 0 311.816 4.094 20 30 DIEDRO C#CCCCCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000878615493 1043905808 /nfs/dbraw/zinc/90/58/08/1043905808.db2.gz DTYCZMZNMCAYSN-MRXNPFEDSA-N 1 0 301.434 4.058 20 30 DIEDRO COCCCC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1 ZINC000930272504 1043907484 /nfs/dbraw/zinc/90/74/84/1043907484.db2.gz BWUPHRWFIUOWKF-AFMYVXGZSA-N 1 0 314.473 4.464 20 30 DIEDRO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930308509 1043909566 /nfs/dbraw/zinc/90/95/66/1043909566.db2.gz PZIDAIYKMMGOES-QGZVFWFLSA-N 1 0 314.477 4.294 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccnc4ccccc43)CC2)o1 ZINC000878665029 1043910451 /nfs/dbraw/zinc/91/04/51/1043910451.db2.gz AUIURSHZVPBRPF-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC000878795857 1043921015 /nfs/dbraw/zinc/92/10/15/1043921015.db2.gz RTZBXPWCYZMSAT-UHFFFAOYSA-N 1 0 321.449 4.260 20 30 DIEDRO C=CCCC1(C(=O)Nc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000474789073 1043923324 /nfs/dbraw/zinc/92/33/24/1043923324.db2.gz BYSQQDDFHDJRQZ-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000896516612 1043928615 /nfs/dbraw/zinc/92/86/15/1043928615.db2.gz QMXXWALKMYVAOI-CQSZACIVSA-N 1 0 317.502 4.141 20 30 DIEDRO CC(C)(CO)[C@H]([NH2+]CCCCC1(C#N)CCC1)c1cccs1 ZINC000930498189 1043934491 /nfs/dbraw/zinc/93/44/91/1043934491.db2.gz WPNXHGONABYYFD-MRXNPFEDSA-N 1 0 320.502 4.261 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000879017580 1043937894 /nfs/dbraw/zinc/93/78/94/1043937894.db2.gz FUAVGXSZLWMMFI-SECBINFHSA-N 1 0 317.742 4.098 20 30 DIEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357554053 1043962775 /nfs/dbraw/zinc/96/27/75/1043962775.db2.gz QZLUVWQSGNFIHN-CVEARBPZSA-N 1 0 323.440 4.001 20 30 DIEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357554079 1043962906 /nfs/dbraw/zinc/96/29/06/1043962906.db2.gz QZLUVWQSGNFIHN-JKSUJKDBSA-N 1 0 323.440 4.001 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccn1 ZINC000896666019 1043977722 /nfs/dbraw/zinc/97/77/22/1043977722.db2.gz VMOGOJUVVBKPAW-KRWDZBQOSA-N 1 0 323.440 4.031 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)C[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000880075763 1044009214 /nfs/dbraw/zinc/00/92/14/1044009214.db2.gz GWCJENJJNUVJKI-UZLBHIALSA-N 1 0 314.473 4.041 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000561842195 1044011311 /nfs/dbraw/zinc/01/13/11/1044011311.db2.gz VFUCUVJYEYTMRM-NSHDSACASA-N 1 0 319.246 4.084 20 30 DIEDRO CCC1(CC)CCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000880094157 1044011704 /nfs/dbraw/zinc/01/17/04/1044011704.db2.gz VITRXXOSRCJZCV-HXUWFJFHSA-N 1 0 312.457 4.082 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000931374398 1044018169 /nfs/dbraw/zinc/01/81/69/1044018169.db2.gz LJRMOXJWKOSTBL-PCHAPFSGSA-N 1 0 318.848 4.090 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)CCC1 ZINC000931467263 1044031049 /nfs/dbraw/zinc/03/10/49/1044031049.db2.gz ICKLMGIZNMSLRU-RBUKOAKNSA-N 1 0 312.457 4.049 20 30 DIEDRO CC(C)([NH2+]CCCSCC#N)c1ccc(C(F)(F)F)cc1 ZINC000880384065 1044034261 /nfs/dbraw/zinc/03/42/61/1044034261.db2.gz QAIVVHAZJZOBMR-UHFFFAOYSA-N 1 0 316.392 4.177 20 30 DIEDRO CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@@H]1c1cccs1 ZINC000561956168 1044035401 /nfs/dbraw/zinc/03/54/01/1044035401.db2.gz DMBQYMQITAEKGK-MRXNPFEDSA-N 1 0 300.402 4.342 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](CC)c1ccccc1Br ZINC000358352384 1044058073 /nfs/dbraw/zinc/05/80/73/1044058073.db2.gz IMCQJYYSVSEBLM-HNNXBMFYSA-N 1 0 312.251 4.083 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000358367187 1044061030 /nfs/dbraw/zinc/06/10/30/1044061030.db2.gz KMPDEKZBKHWIKW-SFHVURJKSA-N 1 0 303.446 4.206 20 30 DIEDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000562088715 1044064602 /nfs/dbraw/zinc/06/46/02/1044064602.db2.gz IBVVYLSPENXDBO-PUCZYUMASA-N 1 0 302.421 4.459 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1F ZINC000562097130 1044065487 /nfs/dbraw/zinc/06/54/87/1044065487.db2.gz ZMTOSNAZZISQKK-LJQANCHMSA-N 1 0 308.400 4.252 20 30 DIEDRO Cc1csc(C[C@@H]2CCC[N@H+](CC3CCC(C#N)CC3)C2)n1 ZINC000931748918 1044067623 /nfs/dbraw/zinc/06/76/23/1044067623.db2.gz DYQSQKWKAQLVOQ-JCYILVPMSA-N 1 0 317.502 4.036 20 30 DIEDRO CC(C)O[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000428318113 1044074538 /nfs/dbraw/zinc/07/45/38/1044074538.db2.gz ZTWVDJMWNGTWPA-UZLBHIALSA-N 1 0 308.425 4.375 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798935489 1044091104 /nfs/dbraw/zinc/09/11/04/1044091104.db2.gz PNBUBLMGCYWVJW-VQTJNVASSA-N 1 0 300.490 4.233 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798935488 1044092918 /nfs/dbraw/zinc/09/29/18/1044092918.db2.gz PNBUBLMGCYWVJW-UXHICEINSA-N 1 0 300.490 4.233 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)ccc1C#N ZINC000443978321 1044123461 /nfs/dbraw/zinc/12/34/61/1044123461.db2.gz LKOHFGCCBGGMAJ-NRFANRHFSA-N 1 0 313.404 4.141 20 30 DIEDRO C=CCC(CC=C)C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000881626464 1044128391 /nfs/dbraw/zinc/12/83/91/1044128391.db2.gz GRBCTJXWQAGOGN-UHFFFAOYSA-N 1 0 318.505 4.012 20 30 DIEDRO CSC[C@@H]([NH2+]CCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000346800034 1044142309 /nfs/dbraw/zinc/14/23/09/1044142309.db2.gz QROVOOWOHYOEHQ-CYBMUJFWSA-N 1 0 302.365 4.003 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000281500466 1044142391 /nfs/dbraw/zinc/14/23/91/1044142391.db2.gz WRJURLLBPSPZME-CQSZACIVSA-N 1 0 302.443 4.166 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)ccc1C#N ZINC000443979606 1044144639 /nfs/dbraw/zinc/14/46/39/1044144639.db2.gz PGICFWAABDEGLQ-LEWJYISDSA-N 1 0 320.436 4.124 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)cc1C#N ZINC000129456652 1044151501 /nfs/dbraw/zinc/15/15/01/1044151501.db2.gz XCFYQMULIXPVCK-SFHVURJKSA-N 1 0 306.409 4.079 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1cc(C)c2ncccc2c1 ZINC001308755184 1044152970 /nfs/dbraw/zinc/15/29/70/1044152970.db2.gz PDSASBBGONBARM-UHFFFAOYSA-N 1 0 300.405 4.179 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC(C)(C)O1 ZINC000562864490 1044171061 /nfs/dbraw/zinc/17/10/61/1044171061.db2.gz GTGXPRSVVYAYHM-INIZCTEOSA-N 1 0 320.436 4.225 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)ccc1C#N ZINC000281659524 1044174967 /nfs/dbraw/zinc/17/49/67/1044174967.db2.gz KPALPAMCJANDSG-HNNXBMFYSA-N 1 0 324.424 4.205 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)ccc1C#N ZINC000281659528 1044175302 /nfs/dbraw/zinc/17/53/02/1044175302.db2.gz KPALPAMCJANDSG-OAHLLOKOSA-N 1 0 324.424 4.205 20 30 DIEDRO CC[N@H+](Cc1cn(C(C)C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000281685057 1044180913 /nfs/dbraw/zinc/18/09/13/1044180913.db2.gz RTQDSMFCFWJELK-MRXNPFEDSA-N 1 0 310.445 4.227 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(F)c(F)c1 ZINC000187444436 1044193901 /nfs/dbraw/zinc/19/39/01/1044193901.db2.gz SDZKPLHRXQAGNF-KRWDZBQOSA-N 1 0 307.315 4.217 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@]1(C)CCOc2ccccc21 ZINC000933370750 1044195578 /nfs/dbraw/zinc/19/55/78/1044195578.db2.gz OYWBZMLWASLTOM-NRFANRHFSA-N 1 0 320.436 4.275 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccsc2S1 ZINC000130344797 1044197621 /nfs/dbraw/zinc/19/76/21/1044197621.db2.gz RJPWNLYZGYWGDV-XHDPSFHLSA-N 1 0 300.452 4.335 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000778173452 1044197779 /nfs/dbraw/zinc/19/77/79/1044197779.db2.gz KKNQAWFMFVFMGT-LBPRGKRZSA-N 1 0 313.775 4.020 20 30 DIEDRO Cc1cccc(C(C)(C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000130449493 1044203404 /nfs/dbraw/zinc/20/34/04/1044203404.db2.gz KYCCJUAGRZTLPT-INIZCTEOSA-N 1 0 308.425 4.311 20 30 DIEDRO C=CCC[C@@H](COc1ccccc1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883207115 1044235081 /nfs/dbraw/zinc/23/50/81/1044235081.db2.gz GXOUAWOSWMBSOO-MSOLQXFVSA-N 1 0 315.457 4.092 20 30 DIEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000883216104 1044237153 /nfs/dbraw/zinc/23/71/53/1044237153.db2.gz LDYFPWZDISCRKR-BBRMVZONSA-N 1 0 301.459 4.075 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)c1 ZINC000883227026 1044238139 /nfs/dbraw/zinc/23/81/39/1044238139.db2.gz JXWQHJUVZNRUGV-OAQYLSRUSA-N 1 0 323.411 4.065 20 30 DIEDRO C=CCCC[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccccc1 ZINC000883244794 1044243119 /nfs/dbraw/zinc/24/31/19/1044243119.db2.gz XBGBCLYCXYNCLF-ROUUACIJSA-N 1 0 301.430 4.017 20 30 DIEDRO C[N@H+](CCCCC#N)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000360185969 1044244250 /nfs/dbraw/zinc/24/42/50/1044244250.db2.gz BQAZHFJIIMRAPC-UHFFFAOYSA-N 1 0 315.392 4.039 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415234 1044248211 /nfs/dbraw/zinc/24/82/11/1044248211.db2.gz NULBAVAXNPLGTQ-UHFFFAOYSA-N 1 0 310.445 4.229 20 30 DIEDRO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000934466775 1044251659 /nfs/dbraw/zinc/25/16/59/1044251659.db2.gz MYXGRFZOLVDNDG-SFHVURJKSA-N 1 0 320.436 4.333 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCC3CC3)c2)c1 ZINC000522962717 1044254347 /nfs/dbraw/zinc/25/43/47/1044254347.db2.gz RCMODFQEULJMFI-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO CCCN(CCC#N)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168055694 1044264574 /nfs/dbraw/zinc/26/45/74/1044264574.db2.gz XOZBHUQRAQLKGN-ROUUACIJSA-N 1 0 313.489 4.054 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnc([C@@H](C)O)s1)c1ccccc1 ZINC000883324750 1044272818 /nfs/dbraw/zinc/27/28/18/1044272818.db2.gz CDUFRKSJMZVSQR-PBHICJAKSA-N 1 0 316.470 4.384 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000883326859 1044274206 /nfs/dbraw/zinc/27/42/06/1044274206.db2.gz LXPDPCLVEQNAEE-OALUTQOASA-N 1 0 309.457 4.485 20 30 DIEDRO CC(C)COc1ccccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000563526102 1044279630 /nfs/dbraw/zinc/27/96/30/1044279630.db2.gz LCQGNTHDFVSENH-FQEVSTJZSA-N 1 0 320.436 4.370 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000883356803 1044281631 /nfs/dbraw/zinc/28/16/31/1044281631.db2.gz WEIFBISUMQTIBH-GPJFCIFZSA-N 1 0 324.468 4.082 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000035230463 1044284101 /nfs/dbraw/zinc/28/41/01/1044284101.db2.gz GGQFNTBHIUMRQP-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO COCCC1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCC1 ZINC000360647628 1044292997 /nfs/dbraw/zinc/29/29/97/1044292997.db2.gz NKLKNBJTPLOSBS-LJQANCHMSA-N 1 0 312.457 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](CCO)c1ccccc1 ZINC000360644484 1044293457 /nfs/dbraw/zinc/29/34/57/1044293457.db2.gz ALMHUJDSHASUPO-RTWAWAEBSA-N 1 0 320.436 4.039 20 30 DIEDRO CCc1noc(CC)c1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360650533 1044293795 /nfs/dbraw/zinc/29/37/95/1044293795.db2.gz YFBIAKBMXGASTE-IBGZPJMESA-N 1 0 323.440 4.228 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c(F)c1 ZINC000360659057 1044295517 /nfs/dbraw/zinc/29/55/17/1044295517.db2.gz WMMKVSSLWFHHPP-HXUWFJFHSA-N 1 0 324.399 4.263 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883385911 1044300972 /nfs/dbraw/zinc/30/09/72/1044300972.db2.gz VPZKOUHSOAPKBC-RDJZCZTQSA-N 1 0 301.430 4.004 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCOC1CCCC1 ZINC000360836855 1044314687 /nfs/dbraw/zinc/31/46/87/1044314687.db2.gz NMBJVUPSVGSTGQ-FQEVSTJZSA-N 1 0 312.457 4.265 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(F)c(F)c1 ZINC000360836932 1044315828 /nfs/dbraw/zinc/31/58/28/1044315828.db2.gz NNDHHGZOJJZIJM-LJQANCHMSA-N 1 0 312.363 4.394 20 30 DIEDRO Cc1csc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000360838333 1044317423 /nfs/dbraw/zinc/31/74/23/1044317423.db2.gz BZUOYWGNWKLQNS-CXAGYDPISA-N 1 0 311.454 4.442 20 30 DIEDRO CN(C)c1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360841684 1044317695 /nfs/dbraw/zinc/31/76/95/1044317695.db2.gz SYMDGZFFWKRMAC-NRFANRHFSA-N 1 0 319.452 4.182 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1COc2ccc(F)cc21 ZINC000360872256 1044321874 /nfs/dbraw/zinc/32/18/74/1044321874.db2.gz LYENHZLRXOUYOW-OALUTQOASA-N 1 0 322.383 4.188 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1nccs1 ZINC000360883702 1044322272 /nfs/dbraw/zinc/32/22/72/1044322272.db2.gz LADVMOPIORKOIO-SUMWQHHRSA-N 1 0 311.454 4.176 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2scnc2C)cc1 ZINC000132484234 1044324923 /nfs/dbraw/zinc/32/49/23/1044324923.db2.gz PZHLWRVPLKEFOF-LBPRGKRZSA-N 1 0 322.861 4.434 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC001202555002 1044338172 /nfs/dbraw/zinc/33/81/72/1044338172.db2.gz YLBUREHSJRQERZ-UHFFFAOYSA-N 1 0 309.475 4.395 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186293132 1044340848 /nfs/dbraw/zinc/34/08/48/1044340848.db2.gz XWMQSWSKSAIQRW-KRWDZBQOSA-N 1 0 311.454 4.141 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1Cl ZINC000564124577 1044344081 /nfs/dbraw/zinc/34/40/81/1044344081.db2.gz ZNUUSRNMZDXZLV-UHFFFAOYSA-N 1 0 306.837 4.324 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288077 1044346471 /nfs/dbraw/zinc/34/64/71/1044346471.db2.gz QUARZUWJDDXTDG-WOJBJXKFSA-N 1 0 300.490 4.233 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001142007306 1044354334 /nfs/dbraw/zinc/35/43/34/1044354334.db2.gz ZNNDWBOJTHWJMS-KRWDZBQOSA-N 1 0 310.526 4.364 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)Cc1ccsc1 ZINC000778371990 1044354667 /nfs/dbraw/zinc/35/46/67/1044354667.db2.gz PDKXDSNUPSQCLI-HNNXBMFYSA-N 1 0 314.454 4.104 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000475335143 1044366881 /nfs/dbraw/zinc/36/68/81/1044366881.db2.gz LXXQMRGZCKDKLY-GDBMZVCRSA-N 1 0 300.402 4.185 20 30 DIEDRO Cc1nc(C)c([C@H](C)N(C)Cc2cn3ccccc3c2C#N)s1 ZINC000106877310 1044372521 /nfs/dbraw/zinc/37/25/21/1044372521.db2.gz AJCULQCHYFHCDE-ZDUSSCGKSA-N 1 0 324.453 4.077 20 30 DIEDRO CCc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000564414261 1044375674 /nfs/dbraw/zinc/37/56/74/1044375674.db2.gz GGTSXUDHUKELDD-UHFFFAOYSA-N 1 0 324.371 4.491 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCC2(c3ccccn3)CCC2)c1 ZINC000262477937 1044378752 /nfs/dbraw/zinc/37/87/52/1044378752.db2.gz CMZKAIVMYCFXAV-UHFFFAOYSA-N 1 0 322.456 4.054 20 30 DIEDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000564526904 1044389503 /nfs/dbraw/zinc/38/95/03/1044389503.db2.gz BGMKIUMONNQWOO-GFCCVEGCSA-N 1 0 322.330 4.281 20 30 DIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361510774 1044413482 /nfs/dbraw/zinc/41/34/82/1044413482.db2.gz LEUUOGXZADIJSI-LBPRGKRZSA-N 1 0 321.346 4.109 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000121299909 1044417299 /nfs/dbraw/zinc/41/72/99/1044417299.db2.gz XIPXTYRPXFTABZ-JCYILVPMSA-N 1 0 322.493 4.157 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NCc3cccc(C#N)c3)cc2)C1 ZINC000237479859 1044435331 /nfs/dbraw/zinc/43/53/31/1044435331.db2.gz UMDHGSAVANCPGX-QGZVFWFLSA-N 1 0 319.452 4.402 20 30 DIEDRO CC(C)OCc1ccccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000565626426 1044446009 /nfs/dbraw/zinc/44/60/09/1044446009.db2.gz NMZODNMSWZQELT-NRFANRHFSA-N 1 0 320.436 4.260 20 30 DIEDRO C[C@H](CC#N)[N@H+](C)CC(Cc1ccccc1)Cc1ccccc1 ZINC000565747566 1044455243 /nfs/dbraw/zinc/45/52/43/1044455243.db2.gz MZQWRWIQPUEYCY-GOSISDBHSA-N 1 0 306.453 4.322 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000565745947 1044455604 /nfs/dbraw/zinc/45/56/04/1044455604.db2.gz PXGCSGSUBNNGDS-ACJLOTCBSA-N 1 0 321.380 4.113 20 30 DIEDRO CC[N@H+](Cc1cccc(C(C)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000294782135 1044459484 /nfs/dbraw/zinc/45/94/84/1044459484.db2.gz AOXLHIARYWFZHM-OAHLLOKOSA-N 1 0 306.409 4.344 20 30 DIEDRO N#CCC[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000362033080 1044472365 /nfs/dbraw/zinc/47/23/65/1044472365.db2.gz SCGMZFJDMVEEGD-IEBWSBKVSA-N 1 0 306.409 4.187 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000566068065 1044472711 /nfs/dbraw/zinc/47/27/11/1044472711.db2.gz QMRSLZUKQOOJEC-VBKZILBWSA-N 1 0 308.400 4.305 20 30 DIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(CCC#N)CC1 ZINC000566247239 1044479243 /nfs/dbraw/zinc/47/92/43/1044479243.db2.gz IEWKHCVTQRKNCY-UHFFFAOYSA-N 1 0 322.456 4.005 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000609915680 1044479528 /nfs/dbraw/zinc/47/95/28/1044479528.db2.gz KDWRNBPAQDRIFE-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000475563985 1044504139 /nfs/dbraw/zinc/50/41/39/1044504139.db2.gz RRWHEMUQUIECMX-ZBFHGGJFSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000475563983 1044504581 /nfs/dbraw/zinc/50/45/81/1044504581.db2.gz RRWHEMUQUIECMX-GOEBONIOSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@H](c3ccccc3)O1)CC2 ZINC000566708307 1044508430 /nfs/dbraw/zinc/50/84/30/1044508430.db2.gz OAZOLVBWZZCPLL-HMXCVIKNSA-N 1 0 318.420 4.055 20 30 DIEDRO Cc1cc2ccc(Cl)cc2nc1N=NC1CC[N@H+](C)[C@H](C)C1 ZINC000778552029 1044513952 /nfs/dbraw/zinc/51/39/52/1044513952.db2.gz QVQFRHPUJHWRFZ-GFCCVEGCSA-N 1 0 316.836 4.079 20 30 DIEDRO CCCCCCCCNC(=[NH2+])NCc1nc(C(C)C)cs1 ZINC000305050779 1044537045 /nfs/dbraw/zinc/53/70/45/1044537045.db2.gz DCHDSCJPWAOMBT-UHFFFAOYSA-N 1 0 310.511 4.031 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000567169744 1044546149 /nfs/dbraw/zinc/54/61/49/1044546149.db2.gz IVRTXZGRXUWVED-TZIWHRDSSA-N 1 0 317.436 4.046 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@H+](C)Cc2ccc(C)cc2)c1O ZINC000216156945 1044549500 /nfs/dbraw/zinc/54/95/00/1044549500.db2.gz JWRQKVZBVDGPMU-UHFFFAOYSA-N 1 0 311.425 4.070 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)ccc1C#N ZINC000567203444 1044552004 /nfs/dbraw/zinc/55/20/04/1044552004.db2.gz PJPPXVCXQZHHAR-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2nc(C)c(C)s2)cc1 ZINC000262550690 1044556877 /nfs/dbraw/zinc/55/68/77/1044556877.db2.gz YCUHCHIHYHBUDY-LLVKDONJSA-N 1 0 316.474 4.200 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567371334 1044559920 /nfs/dbraw/zinc/55/99/20/1044559920.db2.gz SVGAYLLMJFEQTA-QZTJIDSGSA-N 1 0 308.416 4.044 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000362903005 1044561275 /nfs/dbraw/zinc/56/12/75/1044561275.db2.gz YMCYCVBAQLWVRN-HNNXBMFYSA-N 1 0 307.235 4.280 20 30 DIEDRO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000567404037 1044562910 /nfs/dbraw/zinc/56/29/10/1044562910.db2.gz WYFBHKRTDNEEDL-AWEZNQCLSA-N 1 0 311.404 4.029 20 30 DIEDRO Cc1cc(C[NH+]2CCC(OCc3ccccc3)CC2)ccc1C#N ZINC000362960202 1044568287 /nfs/dbraw/zinc/56/82/87/1044568287.db2.gz KMZLUPGYJKAKBR-UHFFFAOYSA-N 1 0 320.436 4.048 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000444601765 1044573214 /nfs/dbraw/zinc/57/32/14/1044573214.db2.gz XCWFUQSKSPXANS-UHFFFAOYSA-N 1 0 303.381 4.054 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)s1 ZINC000295948529 1044575845 /nfs/dbraw/zinc/57/58/45/1044575845.db2.gz GVESAXOXQDREIR-MRXNPFEDSA-N 1 0 304.365 4.065 20 30 DIEDRO CC(C)(C#N)CCCN1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000363113372 1044583321 /nfs/dbraw/zinc/58/33/21/1044583321.db2.gz DAOFRUGOKYDXFX-LBPRGKRZSA-N 1 0 312.866 4.105 20 30 DIEDRO Cc1ccccc1[C@H]1C[N@H+](CCCCC(C)(C)C#N)[C@@H](C)CO1 ZINC000444652877 1044585762 /nfs/dbraw/zinc/58/57/62/1044585762.db2.gz KIXXOUMELJXGJB-PKOBYXMFSA-N 1 0 314.473 4.477 20 30 DIEDRO C[N@H+](Cc1cc(F)cc(F)c1)Cc1ccccc1C(C)(C)C#N ZINC000444692646 1044604901 /nfs/dbraw/zinc/60/49/01/1044604901.db2.gz FSSBDDXRKOIHNP-UHFFFAOYSA-N 1 0 314.379 4.398 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cscc2Cl)cc1 ZINC000886199395 1044624863 /nfs/dbraw/zinc/62/48/63/1044624863.db2.gz UUVGYSDWXCXGBZ-UHFFFAOYSA-N 1 0 304.846 4.492 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cnc(C(C)C)s2)cc1C#N ZINC000886276930 1044629086 /nfs/dbraw/zinc/62/90/86/1044629086.db2.gz ANPRTWMKYBLBSQ-UHFFFAOYSA-N 1 0 317.483 4.150 20 30 DIEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2ccccc2C)CCCC1(C)C ZINC000444793297 1044630368 /nfs/dbraw/zinc/63/03/68/1044630368.db2.gz RQQZTGBGLJTQGF-QGZVFWFLSA-N 1 0 300.446 4.000 20 30 DIEDRO C=CCCCCC[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000568647196 1044640686 /nfs/dbraw/zinc/64/06/86/1044640686.db2.gz MAIYQIHEDPDUTC-UHFFFAOYSA-N 1 0 312.457 4.155 20 30 DIEDRO N#CCCCC[NH2+][C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000886523144 1044655036 /nfs/dbraw/zinc/65/50/36/1044655036.db2.gz XOZYOLJDAHMDLS-HNNXBMFYSA-N 1 0 301.821 4.482 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000523581521 1044663654 /nfs/dbraw/zinc/66/36/54/1044663654.db2.gz UTQNHZUNWAKRCC-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000428389290 1044672185 /nfs/dbraw/zinc/67/21/85/1044672185.db2.gz QDCIWFCWNMUZTO-UHFFFAOYSA-N 1 0 306.749 4.126 20 30 DIEDRO C#CC(CC)(CC)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC001257553490 1044673841 /nfs/dbraw/zinc/67/38/41/1044673841.db2.gz KUIXAVIYVBXVDO-CYBMUJFWSA-N 1 0 308.263 4.162 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1C#N ZINC000886688563 1044681343 /nfs/dbraw/zinc/68/13/43/1044681343.db2.gz VMCRHMJIPCLKCE-QGZVFWFLSA-N 1 0 324.449 4.284 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2cc(C)c(C)o2)cc1C#N ZINC000886690157 1044681373 /nfs/dbraw/zinc/68/13/73/1044681373.db2.gz QCUQDNDMFSOGLN-LBPRGKRZSA-N 1 0 300.427 4.341 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2sc(C)nc2C)cc1C#N ZINC000886688448 1044682029 /nfs/dbraw/zinc/68/20/29/1044682029.db2.gz RUGHCRJBESZYSZ-JTQLQIEISA-N 1 0 317.483 4.204 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2cc(C)oc2C)cc1C#N ZINC000886688167 1044682045 /nfs/dbraw/zinc/68/20/45/1044682045.db2.gz LSIDHGVLEKFZLK-GFCCVEGCSA-N 1 0 300.427 4.341 20 30 DIEDRO C=CCC[C@H](C(=O)OCc1cccc2nccn21)c1ccccc1 ZINC000778688541 1044682832 /nfs/dbraw/zinc/68/28/32/1044682832.db2.gz OXZWOWADEJFUIJ-SFHVURJKSA-N 1 0 320.392 4.128 20 30 DIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCCCC(C)(C)C#N)CCC2 ZINC000365442350 1044690497 /nfs/dbraw/zinc/69/04/97/1044690497.db2.gz JKSIAGSUAUBHBS-OAHLLOKOSA-N 1 0 305.491 4.481 20 30 DIEDRO C=CCC1(O)CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000886764441 1044693356 /nfs/dbraw/zinc/69/33/56/1044693356.db2.gz SRQJAEYRZCICST-CYBMUJFWSA-N 1 0 313.363 4.169 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000569326412 1044694143 /nfs/dbraw/zinc/69/41/43/1044694143.db2.gz VNUYGGIKRCXBKC-IEBWSBKVSA-N 1 0 306.409 4.047 20 30 DIEDRO C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CCC1(F)F ZINC000569318302 1044694932 /nfs/dbraw/zinc/69/49/32/1044694932.db2.gz SPYUBHWGDZVYKH-JTQLQIEISA-N 1 0 318.289 4.054 20 30 DIEDRO C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000886773861 1044695159 /nfs/dbraw/zinc/69/51/59/1044695159.db2.gz CHIVAOGYIVDPEJ-KBXCAEBGSA-N 1 0 316.420 4.087 20 30 DIEDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000886773862 1044695160 /nfs/dbraw/zinc/69/51/60/1044695160.db2.gz CHIVAOGYIVDPEJ-KDOFPFPSSA-N 1 0 316.420 4.087 20 30 DIEDRO CC[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000886773774 1044695559 /nfs/dbraw/zinc/69/55/59/1044695559.db2.gz AQFVYPUCVHNYOS-RBUKOAKNSA-N 1 0 312.457 4.338 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cnn(C(C)C)c21)c1ccc(C#N)cc1 ZINC000365799261 1044703184 /nfs/dbraw/zinc/70/31/84/1044703184.db2.gz WVIPPAOJCMFRAV-RTBURBONSA-N 1 0 322.456 4.454 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccco1 ZINC000569948979 1044720914 /nfs/dbraw/zinc/72/09/14/1044720914.db2.gz BWPNFNCMACOHLM-MSOLQXFVSA-N 1 0 316.420 4.319 20 30 DIEDRO C=C(CC)C[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC001168084092 1044733015 /nfs/dbraw/zinc/73/30/15/1044733015.db2.gz FVSDKKOSCDDFJM-IEWDOMPSSA-N 1 0 320.521 4.137 20 30 DIEDRO CCCc1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000367229277 1044734739 /nfs/dbraw/zinc/73/47/39/1044734739.db2.gz DYJXNWWXZIPYIX-UHFFFAOYSA-N 1 0 319.452 4.091 20 30 DIEDRO CCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cn1 ZINC000570289928 1044745999 /nfs/dbraw/zinc/74/59/99/1044745999.db2.gz ZAWMCCUSLBTDKL-UHFFFAOYSA-N 1 0 320.223 4.282 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367803252 1044754660 /nfs/dbraw/zinc/75/46/60/1044754660.db2.gz QVJGICQVDPIXLU-QYWGDWMGSA-N 1 0 320.436 4.301 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000570471123 1044760013 /nfs/dbraw/zinc/76/00/13/1044760013.db2.gz JYFBHIZSWUJGQV-UKRRQHHQSA-N 1 0 308.347 4.235 20 30 DIEDRO COc1ccc(-c2ccncc2)cc1C[NH2+]CC(C)(C)CCC#N ZINC000367969548 1044761074 /nfs/dbraw/zinc/76/10/74/1044761074.db2.gz BFMINTQFDKZHRS-UHFFFAOYSA-N 1 0 323.440 4.177 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccco1 ZINC000570470777 1044761247 /nfs/dbraw/zinc/76/12/47/1044761247.db2.gz VRHPOAOFUDMIOI-HZPDHXFCSA-N 1 0 315.413 4.353 20 30 DIEDRO N#CC1(CCC[NH2+][C@@H]2CCCCC23CCCC3)CCOCC1 ZINC000368262645 1044770567 /nfs/dbraw/zinc/77/05/67/1044770567.db2.gz ZNYPUZGISJEPEI-QGZVFWFLSA-N 1 0 304.478 4.180 20 30 DIEDRO N#CC1(CCC[NH2+][C@H]2CCCCC23CCCC3)CCOCC1 ZINC000368262639 1044771452 /nfs/dbraw/zinc/77/14/52/1044771452.db2.gz ZNYPUZGISJEPEI-KRWDZBQOSA-N 1 0 304.478 4.180 20 30 DIEDRO N#CCCCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000123808801 1044789423 /nfs/dbraw/zinc/78/94/23/1044789423.db2.gz XLLKYOSHUWKFMW-RBUKOAKNSA-N 1 0 300.446 4.049 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000475633218 1044804349 /nfs/dbraw/zinc/80/43/49/1044804349.db2.gz GEOKKGATTPDLGO-MJVIPROJSA-N 1 0 302.245 4.217 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(N2CCCC2)c1 ZINC000088764328 1044809526 /nfs/dbraw/zinc/80/95/26/1044809526.db2.gz DMHPLEFFSJOEMM-CQSZACIVSA-N 1 0 311.454 4.071 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000572626229 1044865179 /nfs/dbraw/zinc/86/51/79/1044865179.db2.gz WUDUNLZROGTWJG-IBGZPJMESA-N 1 0 315.420 4.136 20 30 DIEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000337142439 1044866844 /nfs/dbraw/zinc/86/68/44/1044866844.db2.gz WXZCIMDVTAZLEJ-GOSISDBHSA-N 1 0 316.420 4.063 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000121625895 1044870908 /nfs/dbraw/zinc/87/09/08/1044870908.db2.gz LOUNSRDPKZHSEP-VXGBXAGGSA-N 1 0 322.330 4.452 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000371392985 1044873982 /nfs/dbraw/zinc/87/39/82/1044873982.db2.gz WSJQUVMKBLJXDJ-ZIAGYGMSSA-N 1 0 312.438 4.158 20 30 DIEDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000131790109 1044883266 /nfs/dbraw/zinc/88/32/66/1044883266.db2.gz DSAQXSKHTRWZQY-QGZVFWFLSA-N 1 0 310.445 4.133 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000337372319 1044885457 /nfs/dbraw/zinc/88/54/57/1044885457.db2.gz PDVKAXIAVDOSBC-RISCZKNCSA-N 1 0 310.235 4.217 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)CC2)c1 ZINC000337488973 1044907726 /nfs/dbraw/zinc/90/77/26/1044907726.db2.gz UURGTPUXARJULM-FXAWDEMLSA-N 1 0 317.436 4.258 20 30 DIEDRO CC(C)COc1cccc(C[NH2+]Cc2ccc(CC#N)cc2)c1 ZINC000573564403 1044912016 /nfs/dbraw/zinc/91/20/16/1044912016.db2.gz SKSXESLDMBTZEK-UHFFFAOYSA-N 1 0 308.425 4.077 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000573695372 1044916618 /nfs/dbraw/zinc/91/66/18/1044916618.db2.gz LWGKDNHTVGXKSN-UXHICEINSA-N 1 0 305.425 4.111 20 30 DIEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@H](SC)C(C)(C)C)cc1 ZINC000573771742 1044921842 /nfs/dbraw/zinc/92/18/42/1044921842.db2.gz SJUIOVZGWKVDLH-SJORKVTESA-N 1 0 320.502 4.407 20 30 DIEDRO Cc1ccc(-c2cc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)on2)cc1 ZINC000573902333 1044932328 /nfs/dbraw/zinc/93/23/28/1044932328.db2.gz APNKSFVZECVDSC-HNNXBMFYSA-N 1 0 317.392 4.373 20 30 DIEDRO COc1cc(C[NH2+]Cc2cc3cc(C)c(C)cc3o2)ccc1C#N ZINC000574441635 1044955182 /nfs/dbraw/zinc/95/51/82/1044955182.db2.gz ALDJEQNMLQYRDK-UHFFFAOYSA-N 1 0 320.392 4.220 20 30 DIEDRO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1C ZINC000574468499 1044955774 /nfs/dbraw/zinc/95/57/74/1044955774.db2.gz KODNHDKQWPRFDD-ROUUACIJSA-N 1 0 304.437 4.227 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(F)ccc1C#N ZINC000574722791 1044967334 /nfs/dbraw/zinc/96/73/34/1044967334.db2.gz RVUQCHFUGIUOLM-IBGZPJMESA-N 1 0 312.388 4.289 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccncc1F ZINC000338032945 1044975515 /nfs/dbraw/zinc/97/55/15/1044975515.db2.gz XFKHQMFWHILLEB-FVWXCPNNSA-N 1 0 323.415 4.275 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000574848271 1044975920 /nfs/dbraw/zinc/97/59/20/1044975920.db2.gz XXYFOVSJWQTNDO-JLTOFOAXSA-N 1 0 306.409 4.295 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C12CCCCC2 ZINC000525124382 1044992232 /nfs/dbraw/zinc/99/22/32/1044992232.db2.gz VANOQBIMAOGFRT-OALUTQOASA-N 1 0 312.457 4.118 20 30 DIEDRO N#CC1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000265373688 1044993566 /nfs/dbraw/zinc/99/35/66/1044993566.db2.gz WVNFUTSJUQOGNY-HNQUOIGGSA-N 1 0 319.246 4.088 20 30 DIEDRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411435440 1045006716 /nfs/dbraw/zinc/00/67/16/1045006716.db2.gz CWFAXOSYOYPABE-GOSISDBHSA-N 1 0 321.424 4.018 20 30 DIEDRO N#CC1(CC[NH+]2CCC(Cc3cccnc3)CC2)CCCCC1 ZINC000411434122 1045007763 /nfs/dbraw/zinc/00/77/63/1045007763.db2.gz VNHBCTMJBUQFQR-UHFFFAOYSA-N 1 0 311.473 4.200 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1csc(C(=O)OC)c1)c1ccccc1 ZINC000411468663 1045011063 /nfs/dbraw/zinc/01/10/63/1045011063.db2.gz CMEDIPUDZKOQLV-MRXNPFEDSA-N 1 0 315.438 4.332 20 30 DIEDRO N#CC1(CC[NH+]2CCC(n3cc(Cl)cn3)CC2)CCCCC1 ZINC000411500763 1045013176 /nfs/dbraw/zinc/01/31/76/1045013176.db2.gz TVIFGBIEHAUQPL-UHFFFAOYSA-N 1 0 320.868 4.038 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000411499652 1045013577 /nfs/dbraw/zinc/01/35/77/1045013577.db2.gz DTALRYYEIBDLJC-MGPUTAFESA-N 1 0 306.409 4.055 20 30 DIEDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000411510144 1045013828 /nfs/dbraw/zinc/01/38/28/1045013828.db2.gz XPOQJPZBQYWEQC-MRXNPFEDSA-N 1 0 320.436 4.181 20 30 DIEDRO C=CCN(CCc1ccco1)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000411487901 1045013921 /nfs/dbraw/zinc/01/39/21/1045013921.db2.gz NNTOYYZOASEMSL-HNNXBMFYSA-N 1 0 323.396 4.121 20 30 DIEDRO CCO[C@@H](CC[NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000575910742 1045018005 /nfs/dbraw/zinc/01/80/05/1045018005.db2.gz FIGJVOLEADIEQM-UXHICEINSA-N 1 0 312.457 4.121 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000575950404 1045020866 /nfs/dbraw/zinc/02/08/66/1045020866.db2.gz BISAQVGYEXKEIB-TZIWHRDSSA-N 1 0 323.436 4.261 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(F)cc2O1 ZINC000151382288 1045022663 /nfs/dbraw/zinc/02/26/63/1045022663.db2.gz ZYDBXNSCXVEKOZ-KRWDZBQOSA-N 1 0 310.372 4.089 20 30 DIEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000411776931 1045028033 /nfs/dbraw/zinc/02/80/33/1045028033.db2.gz DBSNJHXIPUIUOV-UKRRQHHQSA-N 1 0 321.262 4.006 20 30 DIEDRO CC(C)(CO)[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cccs1 ZINC000411739337 1045028354 /nfs/dbraw/zinc/02/83/54/1045028354.db2.gz WHQGYBRYTKMLMP-MRXNPFEDSA-N 1 0 320.502 4.261 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000525328589 1045038298 /nfs/dbraw/zinc/03/82/98/1045038298.db2.gz HZVAQNDDIZVTCX-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000576152443 1045038654 /nfs/dbraw/zinc/03/86/54/1045038654.db2.gz HGHSIIPWPNITDU-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO CC(C)(CCC#N)CN1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000374258913 1045040478 /nfs/dbraw/zinc/04/04/78/1045040478.db2.gz NLQOJYYOJGLDPU-GFCCVEGCSA-N 1 0 312.866 4.105 20 30 DIEDRO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374291105 1045042675 /nfs/dbraw/zinc/04/26/75/1045042675.db2.gz ISVPRRWJPKUOCB-SFHVURJKSA-N 1 0 323.415 4.229 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@H]2CCC3(CCCC3)O2)C2CC2)cc1 ZINC000576209402 1045042912 /nfs/dbraw/zinc/04/29/12/1045042912.db2.gz MHBCQDKMLBKZQL-LJQANCHMSA-N 1 0 310.441 4.014 20 30 DIEDRO C[N@H+](CCCSCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412017440 1045046333 /nfs/dbraw/zinc/04/63/33/1045046333.db2.gz ZFIHXPVRTRRPOV-ZWKOTPCHSA-N 1 0 302.487 4.291 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC3(CCCCC3)C1)CC2 ZINC000576263260 1045047160 /nfs/dbraw/zinc/04/71/60/1045047160.db2.gz ZYTHRHMNVXYNJB-HKUYNNGSSA-N 1 0 310.441 4.017 20 30 DIEDRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000576813170 1045081908 /nfs/dbraw/zinc/08/19/08/1045081908.db2.gz MRKBSTGWMCLXAD-YWZLYKJASA-N 1 0 322.456 4.454 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC000576910851 1045088372 /nfs/dbraw/zinc/08/83/72/1045088372.db2.gz AZDPXYDYYRZROO-HMXCVIKNSA-N 1 0 318.420 4.055 20 30 DIEDRO N#CCCn1cc(C[NH+]2CCCCCCC2)c(-c2ccccc2)n1 ZINC000158957289 1045088729 /nfs/dbraw/zinc/08/87/29/1045088729.db2.gz PVRVILZGJTWCFE-UHFFFAOYSA-N 1 0 322.456 4.230 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000577080900 1045098046 /nfs/dbraw/zinc/09/80/46/1045098046.db2.gz QMZRMJPYXTZCRU-INIZCTEOSA-N 1 0 306.409 4.078 20 30 DIEDRO CC[C@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(C#N)cc1 ZINC000447527402 1045136832 /nfs/dbraw/zinc/13/68/32/1045136832.db2.gz FVBQQSGAHZWNFQ-FQEVSTJZSA-N 1 0 315.420 4.390 20 30 DIEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnn([C@@H](C)C#N)c2)cc1 ZINC000600773868 1045137163 /nfs/dbraw/zinc/13/71/63/1045137163.db2.gz DZRBMCARZVMKAV-HNAYVOBHSA-N 1 0 308.429 4.009 20 30 DIEDRO CC[C@@H]([NH2+]CCCCc1nc(C)cs1)c1ccc(C#N)cc1 ZINC000447528901 1045137247 /nfs/dbraw/zinc/13/72/47/1045137247.db2.gz JVARUUNPAKAMOW-QGZVFWFLSA-N 1 0 313.470 4.387 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)cc1OC ZINC000447526985 1045137834 /nfs/dbraw/zinc/13/78/34/1045137834.db2.gz CUQMXDAJJREXHV-GOSISDBHSA-N 1 0 324.424 4.206 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1OC)c1ccc(C#N)cc1 ZINC000447536228 1045141013 /nfs/dbraw/zinc/14/10/13/1045141013.db2.gz LTXOKIVSGXRILH-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO CC[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C#N)cc1 ZINC000447539858 1045142733 /nfs/dbraw/zinc/14/27/33/1045142733.db2.gz HVPKHWXUCYEKTP-KRWDZBQOSA-N 1 0 324.815 4.100 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C#N)cc1 ZINC000447539860 1045142814 /nfs/dbraw/zinc/14/28/14/1045142814.db2.gz HVPKHWXUCYEKTP-QGZVFWFLSA-N 1 0 324.815 4.100 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447545090 1045145411 /nfs/dbraw/zinc/14/54/11/1045145411.db2.gz XAMWBYLFRCDOGJ-OXJNMPFZSA-N 1 0 307.441 4.124 20 30 DIEDRO N#Cc1c(F)cccc1CNc1cccc(C[NH+]2CCCCC2)c1 ZINC000600847335 1045147119 /nfs/dbraw/zinc/14/71/19/1045147119.db2.gz BUXBBOMGUXIZBE-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2OC)c1ccc(C#N)cc1 ZINC000447573137 1045147217 /nfs/dbraw/zinc/14/72/17/1045147217.db2.gz GCSXSJWVMQZVPK-MOPGFXCFSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000525996956 1045147935 /nfs/dbraw/zinc/14/79/35/1045147935.db2.gz ZOVIWKNVIOZUMA-IYBDPMFKSA-N 1 0 306.409 4.120 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447564430 1045151628 /nfs/dbraw/zinc/15/16/28/1045151628.db2.gz WXLNWRVBFGWNRG-LIRRHRJNSA-N 1 0 312.388 4.206 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](OC)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447589393 1045154893 /nfs/dbraw/zinc/15/48/93/1045154893.db2.gz XRHVGIHFCHLEPI-RBUKOAKNSA-N 1 0 312.388 4.126 20 30 DIEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccc(F)cc2O1 ZINC000447588366 1045155209 /nfs/dbraw/zinc/15/52/09/1045155209.db2.gz UBVPOISDDWNFCU-BJJXKVORSA-N 1 0 302.393 4.100 20 30 DIEDRO N#C[C@@H]1CCC[C@@H](Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000447575132 1045157670 /nfs/dbraw/zinc/15/76/70/1045157670.db2.gz QNRJCLRAHOCIDB-UYAOXDASSA-N 1 0 311.473 4.209 20 30 DIEDRO CC[C@H]([NH2+]CC1(CCOC)CCCC1)c1ccc(C#N)cc1 ZINC000447581823 1045158222 /nfs/dbraw/zinc/15/82/22/1045158222.db2.gz WKOIKWGNAAWQKP-SFHVURJKSA-N 1 0 300.446 4.196 20 30 DIEDRO CCCNc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000447599187 1045158740 /nfs/dbraw/zinc/15/87/40/1045158740.db2.gz XHBQIICSFBLBPD-AWEZNQCLSA-N 1 0 311.404 4.370 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(C#N)cc1 ZINC000447606822 1045160810 /nfs/dbraw/zinc/16/08/10/1045160810.db2.gz NSJOMDAVUXQJOI-QGZVFWFLSA-N 1 0 320.392 4.017 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(C#N)cc1 ZINC000447603956 1045160883 /nfs/dbraw/zinc/16/08/83/1045160883.db2.gz ZQKFYRLKSVQBKQ-QGZVFWFLSA-N 1 0 309.369 4.016 20 30 DIEDRO CC(C)COc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000577803501 1045173025 /nfs/dbraw/zinc/17/30/25/1045173025.db2.gz WFQGUYANKNQUFB-NRFANRHFSA-N 1 0 320.436 4.370 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(N(C(C)=O)C(C)C)CC1 ZINC001258049962 1045174715 /nfs/dbraw/zinc/17/47/15/1045174715.db2.gz QOXVVNZRZBTQHV-KRWDZBQOSA-N 1 0 310.526 4.457 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CC(N2CCC(F)(F)CC2)C1 ZINC001258049959 1045175260 /nfs/dbraw/zinc/17/52/60/1045175260.db2.gz QNPVEJDYIXORPB-OAHLLOKOSA-N 1 0 302.453 4.151 20 30 DIEDRO C=CCCC[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000447796692 1045176613 /nfs/dbraw/zinc/17/66/13/1045176613.db2.gz XONBIJBQQJREIV-LJQANCHMSA-N 1 0 308.425 4.231 20 30 DIEDRO CC1(C)C[N@H+](CCOc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000557444927 1045180554 /nfs/dbraw/zinc/18/05/54/1045180554.db2.gz ANERUXJCIXMMMK-QGZVFWFLSA-N 1 0 312.438 4.082 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)ccc1OC(C)C ZINC000924611674 1045183970 /nfs/dbraw/zinc/18/39/70/1045183970.db2.gz CJYQGNDNQFJDDL-GJZGRUSLSA-N 1 0 318.461 4.461 20 30 DIEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)c1ccsc1 ZINC000924659650 1045188817 /nfs/dbraw/zinc/18/88/17/1045188817.db2.gz RAHAYDBDCHIKKG-GOEBONIOSA-N 1 0 307.507 4.049 20 30 DIEDRO C[C@H](c1cccs1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000048334928 1045191832 /nfs/dbraw/zinc/19/18/32/1045191832.db2.gz RVWRQADPOPCNEQ-CQSZACIVSA-N 1 0 300.427 4.082 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000924787360 1045198715 /nfs/dbraw/zinc/19/87/15/1045198715.db2.gz WRWVEDPPIMETKQ-CABCVRRESA-N 1 0 308.425 4.197 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1OC ZINC000601265373 1045206667 /nfs/dbraw/zinc/20/66/67/1045206667.db2.gz PALLRUDERAXKOL-KSSFIOAISA-N 1 0 324.424 4.377 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cccc(OC)c1OC ZINC000601266642 1045209265 /nfs/dbraw/zinc/20/92/65/1045209265.db2.gz PSINCCGPXIBBHV-KDOFPFPSSA-N 1 0 324.424 4.377 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(OC)c1OC ZINC000601283356 1045210329 /nfs/dbraw/zinc/21/03/29/1045210329.db2.gz WYWHWIGHWJDIPW-GOSISDBHSA-N 1 0 324.424 4.011 20 30 DIEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(OC)c1OC ZINC000601279572 1045210856 /nfs/dbraw/zinc/21/08/56/1045210856.db2.gz HFDQVAYUMFDQIH-VMBOVVBDSA-N 1 0 316.445 4.074 20 30 DIEDRO CC[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc(C#N)cc1 ZINC000601304694 1045214771 /nfs/dbraw/zinc/21/47/71/1045214771.db2.gz QUXXXKOGZYMIJF-RTBURBONSA-N 1 0 312.457 4.338 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccnn1CC1CCC1)c1ccncc1 ZINC000925076069 1045224813 /nfs/dbraw/zinc/22/48/13/1045224813.db2.gz SYUNBILYTJCJTJ-YJBOKZPZSA-N 1 0 310.445 4.046 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000925136434 1045228749 /nfs/dbraw/zinc/22/87/49/1045228749.db2.gz OSTUPTGMXZOYAB-VYDXJSESSA-N 1 0 319.518 4.049 20 30 DIEDRO Cc1cnc(CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)c1 ZINC000578352996 1045233970 /nfs/dbraw/zinc/23/39/70/1045233970.db2.gz QBHLGONOBMRAKX-FPOVZHCZSA-N 1 0 319.452 4.013 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1cccc(C#N)c1 ZINC000925190483 1045234933 /nfs/dbraw/zinc/23/49/33/1045234933.db2.gz JOQUJQXCWFPOPL-YVEFUNNKSA-N 1 0 311.816 4.335 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000578362674 1045236447 /nfs/dbraw/zinc/23/64/47/1045236447.db2.gz YKMKEMLWAPUSIT-UHFFFAOYSA-N 1 0 320.436 4.141 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCc1cn(-c2ccccc2)nc1C)C1CC1 ZINC000578733720 1045269037 /nfs/dbraw/zinc/26/90/37/1045269037.db2.gz ZENMMRVZTYZAEQ-OAQYLSRUSA-N 1 0 323.484 4.448 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000527927182 1045278783 /nfs/dbraw/zinc/27/87/83/1045278783.db2.gz LTYGONBBMKOYOT-JKSUJKDBSA-N 1 0 323.864 4.285 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)s1 ZINC000527909142 1045280721 /nfs/dbraw/zinc/28/07/21/1045280721.db2.gz JFEQLENPAIZPSL-HNNXBMFYSA-N 1 0 306.793 4.189 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000449065389 1045338840 /nfs/dbraw/zinc/33/88/40/1045338840.db2.gz UEJJJLTXZCRCKZ-SYYJFZTOSA-N 1 0 305.425 4.233 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000075755684 1045339477 /nfs/dbraw/zinc/33/94/77/1045339477.db2.gz ZQDQGRTWOKSPMM-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449149894 1045351707 /nfs/dbraw/zinc/35/17/07/1045351707.db2.gz PCYVWMFYEIIRCO-LLVKDONJSA-N 1 0 305.219 4.052 20 30 DIEDRO C[N@H+](CCc1cccc(NC2CCC(C)(C#N)CC2)c1)C1CC1 ZINC000449199312 1045362532 /nfs/dbraw/zinc/36/25/32/1045362532.db2.gz BUCKMOTXSIBYBY-UHFFFAOYSA-N 1 0 311.473 4.208 20 30 DIEDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449222543 1045364724 /nfs/dbraw/zinc/36/47/24/1045364724.db2.gz IFUBCINQRIKJNS-TZGCNFNXSA-N 1 0 310.445 4.179 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCOc3c(F)cccc32)CC1 ZINC000449228712 1045365661 /nfs/dbraw/zinc/36/56/61/1045365661.db2.gz UZNHYZHNAJTGEU-CRPOECCBSA-N 1 0 302.393 4.101 20 30 DIEDRO C=C(C)[C@H]([NH2+]C1CCC(COC)CC1)c1ccc(F)c(F)c1 ZINC000449251403 1045366372 /nfs/dbraw/zinc/36/63/72/1045366372.db2.gz RRALMURTIDRSJS-RWKZGTHUSA-N 1 0 309.400 4.377 20 30 DIEDRO CN(C)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000449312755 1045376566 /nfs/dbraw/zinc/37/65/66/1045376566.db2.gz NFMCIPCPYHLMCL-LXPRWKDFSA-N 1 0 319.880 4.005 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000449334335 1045381475 /nfs/dbraw/zinc/38/14/75/1045381475.db2.gz IXNLEIKYKGVDQT-SYYJFZTOSA-N 1 0 324.468 4.143 20 30 DIEDRO COc1cccc([C@H]2C[N@H+](CCC(C)(C)C#N)CC2(C)C)c1 ZINC000528626806 1045389542 /nfs/dbraw/zinc/38/95/42/1045389542.db2.gz RSQPXRYRBDHMCP-QGZVFWFLSA-N 1 0 300.446 4.060 20 30 DIEDRO COc1cccc([C@@H]2C[N@H+](CCCC(C)(C)C#N)CC2(C)C)c1 ZINC000528627448 1045389829 /nfs/dbraw/zinc/38/98/29/1045389829.db2.gz UUMPIAMEZJIIQB-SFHVURJKSA-N 1 0 314.473 4.451 20 30 DIEDRO CCC1([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CCCC1 ZINC000449427186 1045391982 /nfs/dbraw/zinc/39/19/82/1045391982.db2.gz QZAGEPYVDUILNS-UHFFFAOYSA-N 1 0 316.445 4.190 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445331 1045393919 /nfs/dbraw/zinc/39/39/19/1045393919.db2.gz HYPDZTRZCGUMFM-INWMFGNUSA-N 1 0 321.262 4.052 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000449446975 1045394521 /nfs/dbraw/zinc/39/45/21/1045394521.db2.gz VCQOXSQTUWGKJS-RYUDHWBXSA-N 1 0 303.456 4.044 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccc(Br)cc2)C1 ZINC000449452183 1045394809 /nfs/dbraw/zinc/39/48/09/1045394809.db2.gz FKXZWSCHSHJNBW-FOJUNHNLSA-N 1 0 319.246 4.134 20 30 DIEDRO CC(C)=CCC[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000449443358 1045396886 /nfs/dbraw/zinc/39/68/86/1045396886.db2.gz RMVVRRZCGAMFOQ-QGZVFWFLSA-N 1 0 311.473 4.252 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000320775113 1045398103 /nfs/dbraw/zinc/39/81/03/1045398103.db2.gz UPEUJQVQQYVSJH-DLBZAZTESA-N 1 0 308.425 4.433 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000449487123 1045402368 /nfs/dbraw/zinc/40/23/68/1045402368.db2.gz WXIHEHPSYAPRGJ-ZDUSSCGKSA-N 1 0 308.853 4.167 20 30 DIEDRO C[C@@H](Nc1cccc(CC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449695545 1045427369 /nfs/dbraw/zinc/42/73/69/1045427369.db2.gz IQSJMKBZZZVIPW-YLJYHZDGSA-N 1 0 319.452 4.075 20 30 DIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(Nc3cccc(CC#N)c3)CC2)C1 ZINC000449696929 1045427416 /nfs/dbraw/zinc/42/74/16/1045427416.db2.gz KSINBBLRXRCJBP-JXFKEZNVSA-N 1 0 311.473 4.208 20 30 DIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2cccc(CC#N)c2)CC1 ZINC000449703300 1045429787 /nfs/dbraw/zinc/42/97/87/1045429787.db2.gz UJICPGSDLFVYTO-OXQOHEQNSA-N 1 0 311.473 4.208 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000449736654 1045432616 /nfs/dbraw/zinc/43/26/16/1045432616.db2.gz NNBWEQMEGSXCBH-SJLPKXTDSA-N 1 0 323.415 4.217 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000449773438 1045435486 /nfs/dbraw/zinc/43/54/86/1045435486.db2.gz NDDSRNWQLJYPSJ-HIFRSBDPSA-N 1 0 300.789 4.231 20 30 DIEDRO COc1ccc([C@@H]([NH2+]C2CCC(C)(C#N)CC2)c2ccco2)cc1 ZINC000449769272 1045435678 /nfs/dbraw/zinc/43/56/78/1045435678.db2.gz DBJPQVIAPAXWIG-NQKNOSNGSA-N 1 0 324.424 4.440 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529534202 1045489740 /nfs/dbraw/zinc/48/97/40/1045489740.db2.gz ZKCPKQAFFHUFFH-CTNGQTDRSA-N 1 0 315.420 4.440 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH+]2C3CCC2CC3)cc1OC ZINC000628127929 1045524334 /nfs/dbraw/zinc/52/43/34/1045524334.db2.gz HJJPKBHGZBMEAL-UHFFFAOYSA-N 1 0 307.821 4.040 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC001119776520 1045525200 /nfs/dbraw/zinc/52/52/00/1045525200.db2.gz KUIASBCCQPHIEF-FAYHIZQSSA-N 1 0 320.864 4.336 20 30 DIEDRO CC(C)(CO)[C@H]([NH2+]CCCCC1(C#N)CCC1)c1ccccc1 ZINC001119855597 1045527161 /nfs/dbraw/zinc/52/71/61/1045527161.db2.gz RKIPWYSWFGYZFK-GOSISDBHSA-N 1 0 314.473 4.200 20 30 DIEDRO C=C(C)CCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC001120676113 1045541108 /nfs/dbraw/zinc/54/11/08/1045541108.db2.gz SHGYMXBRMRXHEP-UHFFFAOYSA-N 1 0 311.429 4.350 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC[C@@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000450673730 1045543151 /nfs/dbraw/zinc/54/31/51/1045543151.db2.gz ACQIJURTVIFIAM-CZUORRHYSA-N 1 0 315.379 4.463 20 30 DIEDRO N#Cc1ccc(OCCC[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000750726976 1045547294 /nfs/dbraw/zinc/54/72/94/1045547294.db2.gz QGCCWMUTULAQOT-FQEVSTJZSA-N 1 0 306.409 4.068 20 30 DIEDRO N#CC1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCC1 ZINC000450692544 1045547577 /nfs/dbraw/zinc/54/75/77/1045547577.db2.gz KSPXCWNOWWFYNV-OAHLLOKOSA-N 1 0 308.347 4.440 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000628405945 1045578249 /nfs/dbraw/zinc/57/82/49/1045578249.db2.gz YGBLAKSPQIECHM-QGZVFWFLSA-N 1 0 308.425 4.059 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(-c2ccccc2)cc1 ZINC000190675595 1045598610 /nfs/dbraw/zinc/59/86/10/1045598610.db2.gz IOPJAENKRCYNQU-MRXNPFEDSA-N 1 0 315.420 4.415 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2cccc3[nH]ccc32)cc1 ZINC000800500194 1045635184 /nfs/dbraw/zinc/63/51/84/1045635184.db2.gz ADTNBPMOGSDWMY-MRXNPFEDSA-N 1 0 318.420 4.073 20 30 DIEDRO C=CCC1(C(=O)Nc2ccccc2CC[NH+](C)C)CCCCC1 ZINC000451231093 1045651480 /nfs/dbraw/zinc/65/14/80/1045651480.db2.gz PPQCELFBSVAGPG-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000629202208 1045654294 /nfs/dbraw/zinc/65/42/94/1045654294.db2.gz SVHZVJOGLRFSQO-IAGOWNOFSA-N 1 0 322.452 4.080 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000752068972 1045654781 /nfs/dbraw/zinc/65/47/81/1045654781.db2.gz NFZRQJIKYFSAQG-CVEARBPZSA-N 1 0 300.446 4.456 20 30 DIEDRO C=C(C)CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451295716 1045661179 /nfs/dbraw/zinc/66/11/79/1045661179.db2.gz NLDIUWCTOOAMBZ-UHFFFAOYSA-N 1 0 304.381 4.308 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCCC2)O1 ZINC000530419368 1045663054 /nfs/dbraw/zinc/66/30/54/1045663054.db2.gz LSPGYORYWPPMNO-LJQANCHMSA-N 1 0 312.457 4.262 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2CCCF)c1 ZINC000800975264 1045672616 /nfs/dbraw/zinc/67/26/16/1045672616.db2.gz ZGPHLFMLXFUDBY-YQVWRLOYSA-N 1 0 318.436 4.376 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccnc(Cl)c1 ZINC000800990859 1045677846 /nfs/dbraw/zinc/67/78/46/1045677846.db2.gz TVYWUKUMYYQYDJ-SNVBAGLBSA-N 1 0 306.196 4.111 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000800991164 1045678066 /nfs/dbraw/zinc/67/80/66/1045678066.db2.gz ZACAEMHIWJCWLV-CYBMUJFWSA-N 1 0 313.832 4.128 20 30 DIEDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC000451554724 1045696658 /nfs/dbraw/zinc/69/66/58/1045696658.db2.gz AECJKXFCXIHILJ-HRAATJIYSA-N 1 0 320.436 4.082 20 30 DIEDRO CCC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000530626264 1045702950 /nfs/dbraw/zinc/70/29/50/1045702950.db2.gz LTALCOBXQUAYPI-UHFFFAOYSA-N 1 0 308.425 4.022 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCc3c2cccc3Cl)c1 ZINC000752790888 1045707108 /nfs/dbraw/zinc/70/71/08/1045707108.db2.gz WRJZKXUOALPNJE-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000530673760 1045710420 /nfs/dbraw/zinc/71/04/20/1045710420.db2.gz HLJQLIOYNPJNOX-UHFFFAOYSA-N 1 0 312.457 4.180 20 30 DIEDRO COCC[C@H]([NH2+]CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000451697508 1045712373 /nfs/dbraw/zinc/71/23/73/1045712373.db2.gz WKDKVBLXBFYHLD-HNNXBMFYSA-N 1 0 314.351 4.066 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000451871061 1045742899 /nfs/dbraw/zinc/74/28/99/1045742899.db2.gz QTRGLGGWECADFY-BEFAXECRSA-N 1 0 305.425 4.180 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccsc1 ZINC000801571486 1045744330 /nfs/dbraw/zinc/74/43/30/1045744330.db2.gz ZPECYRXNDWOCOM-NSHDSACASA-N 1 0 306.818 4.155 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccncc1 ZINC000753371003 1045749396 /nfs/dbraw/zinc/74/93/96/1045749396.db2.gz JTNGMIZIQWVAHT-KRWDZBQOSA-N 1 0 322.437 4.007 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1cc(C#N)cs1)Oc1ccccc1Cl ZINC000530903925 1045749529 /nfs/dbraw/zinc/74/95/29/1045749529.db2.gz PJIVXHWNWIKCGT-ZDUSSCGKSA-N 1 0 320.845 4.220 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451980224 1045755290 /nfs/dbraw/zinc/75/52/90/1045755290.db2.gz QQVXLPSSNNOEKB-LJQANCHMSA-N 1 0 314.498 4.207 20 30 DIEDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191888234 1045765526 /nfs/dbraw/zinc/76/55/26/1045765526.db2.gz YJFCAFIIURQPKT-LLVKDONJSA-N 1 0 304.315 4.169 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000192150098 1045785136 /nfs/dbraw/zinc/78/51/36/1045785136.db2.gz HBEXYEBPRSIRIV-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCC(C)(C)C2)ccc1OC ZINC000753677906 1045789187 /nfs/dbraw/zinc/78/91/87/1045789187.db2.gz BADNFZRUNYJQFZ-HOTGVXAUSA-N 1 0 316.445 4.044 20 30 DIEDRO N#Cc1csc(C[NH2+]CCc2cccc(Cl)c2Cl)c1 ZINC000531117543 1045790057 /nfs/dbraw/zinc/79/00/57/1045790057.db2.gz JGZDDONMLHEHIE-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)c1ccccc1 ZINC000753750815 1045801098 /nfs/dbraw/zinc/80/10/98/1045801098.db2.gz XJMQQXXLSIDMAN-LJQANCHMSA-N 1 0 315.457 4.217 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1ccncc1 ZINC000753860060 1045812003 /nfs/dbraw/zinc/81/20/03/1045812003.db2.gz XZNFCHBOVIAUJK-ROUUACIJSA-N 1 0 300.352 4.254 20 30 DIEDRO C[C@@H](C#N)OCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000801913976 1045836973 /nfs/dbraw/zinc/83/69/73/1045836973.db2.gz PZWKXSMPSMJSEF-ROUUACIJSA-N 1 0 308.425 4.178 20 30 DIEDRO C[C@H](C#N)OCC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000801918812 1045838541 /nfs/dbraw/zinc/83/85/41/1045838541.db2.gz ZPEZRSQNWRGTJV-CQSZACIVSA-N 1 0 306.837 4.013 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C1CCCCC1 ZINC000754121229 1045851052 /nfs/dbraw/zinc/85/10/52/1045851052.db2.gz AULVUCRAHYKUIT-CYBMUJFWSA-N 1 0 306.837 4.301 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccccc1Oc1ccccc1 ZINC000801938151 1045852745 /nfs/dbraw/zinc/85/27/45/1045852745.db2.gz ZEQABXDWUDHEKX-HZPDHXFCSA-N 1 0 310.397 4.058 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000801941400 1045853144 /nfs/dbraw/zinc/85/31/44/1045853144.db2.gz NOFKPCHMFVVVDI-CHWSQXEVSA-N 1 0 302.805 4.072 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000801937765 1045853260 /nfs/dbraw/zinc/85/32/60/1045853260.db2.gz VZXWASBJPINVAJ-HOTGVXAUSA-N 1 0 310.397 4.058 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000801941401 1045853360 /nfs/dbraw/zinc/85/33/60/1045853360.db2.gz NOFKPCHMFVVVDI-OLZOCXBDSA-N 1 0 302.805 4.072 20 30 DIEDRO C#CCC[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801954673 1045860119 /nfs/dbraw/zinc/86/01/19/1045860119.db2.gz HPDFRPQDLIVINO-IAGOWNOFSA-N 1 0 322.855 4.006 20 30 DIEDRO C#CCCC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801950181 1045860275 /nfs/dbraw/zinc/86/02/75/1045860275.db2.gz JOBBLYDWCFXRNC-ROUUACIJSA-N 1 0 322.855 4.006 20 30 DIEDRO CCCCCCCC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001125163274 1045864001 /nfs/dbraw/zinc/86/40/01/1045864001.db2.gz RALSXHUYNVKTLQ-GOSISDBHSA-N 1 0 314.473 4.358 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](C)CC1(C)C ZINC001137558486 1045893512 /nfs/dbraw/zinc/89/35/12/1045893512.db2.gz ANPDZBXYRDLNHE-YPKPFQOOSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000631679793 1045902744 /nfs/dbraw/zinc/90/27/44/1045902744.db2.gz IVIIZSQSPLYPQK-LJQANCHMSA-N 1 0 314.473 4.062 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)s1 ZINC000754669416 1045908648 /nfs/dbraw/zinc/90/86/48/1045908648.db2.gz IENIZMJJGMMIPG-LBPRGKRZSA-N 1 0 320.845 4.463 20 30 DIEDRO CCCCCCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000754866951 1045934731 /nfs/dbraw/zinc/93/47/31/1045934731.db2.gz SSCHHXJWYUXFOS-UHFFFAOYSA-N 1 0 323.525 4.053 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c(C#N)c1 ZINC001137703631 1045940589 /nfs/dbraw/zinc/94/05/89/1045940589.db2.gz ROXQFUGWMKNXLM-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCCCCCCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000755078837 1045951418 /nfs/dbraw/zinc/95/14/18/1045951418.db2.gz RTYPNUQOEHNCGW-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO CCNc1ccccc1C[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000902244399 1045955069 /nfs/dbraw/zinc/95/50/69/1045955069.db2.gz SZTNFFBMCBWWEQ-SFHVURJKSA-N 1 0 323.440 4.089 20 30 DIEDRO CCNc1ccccc1C[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000902244398 1045955668 /nfs/dbraw/zinc/95/56/68/1045955668.db2.gz SZTNFFBMCBWWEQ-GOSISDBHSA-N 1 0 323.440 4.089 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)CCCC(F)(F)F)cc1 ZINC000755222469 1045964009 /nfs/dbraw/zinc/96/40/09/1045964009.db2.gz GTRJUCGDBSLHFQ-CQSZACIVSA-N 1 0 313.363 4.299 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc2nc(C)sc2c1)c1ccccc1 ZINC000755211521 1045964707 /nfs/dbraw/zinc/96/47/07/1045964707.db2.gz MKXJMACSUAWBHK-QGZVFWFLSA-N 1 0 306.434 4.459 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000453208890 1045984489 /nfs/dbraw/zinc/98/44/89/1045984489.db2.gz HTGFTEWQIJHKPJ-OAHLLOKOSA-N 1 0 307.397 4.218 20 30 DIEDRO Cc1cccc(C)c1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001137852656 1045986145 /nfs/dbraw/zinc/98/61/45/1045986145.db2.gz LYJINZUQYAOGDR-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CSc3ccccc31)CC2 ZINC000453215726 1045987910 /nfs/dbraw/zinc/98/79/10/1045987910.db2.gz GQKORFMTASDUNP-QAPCUYQASA-N 1 0 306.434 4.025 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(C)n1-c1ccccc1 ZINC001137857586 1045987864 /nfs/dbraw/zinc/98/78/64/1045987864.db2.gz JLDRELJYSYFZGN-GOSISDBHSA-N 1 0 307.441 4.220 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3c(F)cccc31)CC2 ZINC000453223806 1045992631 /nfs/dbraw/zinc/99/26/31/1045992631.db2.gz BDOWGLSJBMDOCJ-WOJBJXKFSA-N 1 0 306.384 4.352 20 30 DIEDRO CCCCC=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000755592607 1045999356 /nfs/dbraw/zinc/99/93/56/1045999356.db2.gz JIWYPDXAKIOXPA-UHFFFAOYSA-N 1 0 308.838 4.248 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000453242985 1046000749 /nfs/dbraw/zinc/00/07/49/1046000749.db2.gz BZORIAUINHTSCD-OCCSQVGLSA-N 1 0 324.346 4.246 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCCC23CC3)cc1 ZINC001137898314 1046003880 /nfs/dbraw/zinc/00/38/80/1046003880.db2.gz NTPPZQMROZIBHL-UHFFFAOYSA-N 1 0 317.436 4.455 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC001137902449 1046004920 /nfs/dbraw/zinc/00/49/20/1046004920.db2.gz CJVKCNKVADANFA-GHTZIAJQSA-N 1 0 317.436 4.310 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001137898230 1046005344 /nfs/dbraw/zinc/00/53/44/1046005344.db2.gz KVHZBNPGHVBJGK-UHFFFAOYSA-N 1 0 305.425 4.312 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000453299211 1046021283 /nfs/dbraw/zinc/02/12/83/1046021283.db2.gz ZTDFPVHFSGBXKB-NOLJZWGESA-N 1 0 304.821 4.226 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1O ZINC000802657017 1046028257 /nfs/dbraw/zinc/02/82/57/1046028257.db2.gz UYCPSDVTBARGKG-UHFFFAOYSA-N 1 0 321.207 4.169 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453312529 1046031905 /nfs/dbraw/zinc/03/19/05/1046031905.db2.gz HGTUWBDBPDEUSX-FXAWDEMLSA-N 1 0 324.468 4.265 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1 ZINC000902720977 1046050114 /nfs/dbraw/zinc/05/01/14/1046050114.db2.gz RSJPZQLDZCMBPG-OALUTQOASA-N 1 0 323.440 4.029 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1cccc(C#N)c1 ZINC000902730484 1046052645 /nfs/dbraw/zinc/05/26/45/1046052645.db2.gz CHROPJDDHWHEDP-MRXNPFEDSA-N 1 0 316.351 4.401 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000902742491 1046057263 /nfs/dbraw/zinc/05/72/63/1046057263.db2.gz QYILRBSHDZONOM-RXVVDRJESA-N 1 0 319.452 4.125 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902749985 1046057728 /nfs/dbraw/zinc/05/77/28/1046057728.db2.gz YBMUBBNBGMVZIM-CABCVRRESA-N 1 0 309.413 4.152 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902749986 1046058209 /nfs/dbraw/zinc/05/82/09/1046058209.db2.gz YBMUBBNBGMVZIM-GJZGRUSLSA-N 1 0 309.413 4.152 20 30 DIEDRO CC(N=Nc1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779769243 1046058273 /nfs/dbraw/zinc/05/82/73/1046058273.db2.gz SSMDJIWWNFQGMK-KRWDZBQOSA-N 1 0 311.404 4.136 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902750147 1046058744 /nfs/dbraw/zinc/05/87/44/1046058744.db2.gz AWQSBYMPQUSVFC-GJZGRUSLSA-N 1 0 309.413 4.152 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902750146 1046058816 /nfs/dbraw/zinc/05/88/16/1046058816.db2.gz AWQSBYMPQUSVFC-CABCVRRESA-N 1 0 309.413 4.152 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)cc1OC ZINC000902745236 1046058951 /nfs/dbraw/zinc/05/89/51/1046058951.db2.gz MJOZTJAHDSKHLZ-SFHVURJKSA-N 1 0 324.424 4.206 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453386703 1046062305 /nfs/dbraw/zinc/06/23/05/1046062305.db2.gz OYBHCOFRGDSXHR-IBGZPJMESA-N 1 0 324.399 4.218 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(F)ccc1F ZINC000453385118 1046062485 /nfs/dbraw/zinc/06/24/85/1046062485.db2.gz NXOHBWJUGPKAPO-SFHVURJKSA-N 1 0 318.342 4.462 20 30 DIEDRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)CCCO2 ZINC000453386685 1046064031 /nfs/dbraw/zinc/06/40/31/1046064031.db2.gz OTVBSCVSFHPTAM-LJQANCHMSA-N 1 0 324.399 4.318 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)c1cc(C#N)ccn1 ZINC000902765305 1046064448 /nfs/dbraw/zinc/06/44/48/1046064448.db2.gz OVPRHBDJEQUQGX-VXGBXAGGSA-N 1 0 319.330 4.384 20 30 DIEDRO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000902766686 1046067668 /nfs/dbraw/zinc/06/76/68/1046067668.db2.gz PRIRLBCXBVCSNT-HUUCEWRRSA-N 1 0 322.408 4.065 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)c1cc(C#N)ccn1 ZINC000902791338 1046070451 /nfs/dbraw/zinc/07/04/51/1046070451.db2.gz UMUCDOIXIXDCLK-YJYMSZOUSA-N 1 0 309.388 4.284 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)c1cc(C#N)ccn1 ZINC000902791337 1046071359 /nfs/dbraw/zinc/07/13/59/1046071359.db2.gz UMUCDOIXIXDCLK-ORAYPTAESA-N 1 0 309.388 4.284 20 30 DIEDRO CCCc1ncc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)o1 ZINC000453378588 1046073262 /nfs/dbraw/zinc/07/32/62/1046073262.db2.gz KIKIHCWCVRWDMH-SFHVURJKSA-N 1 0 309.413 4.056 20 30 DIEDRO N#C[C@H]1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001138051616 1046075512 /nfs/dbraw/zinc/07/55/12/1046075512.db2.gz CSHFTRUOBKUYTO-NSHDSACASA-N 1 0 316.754 4.484 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1cccc(C#N)c1 ZINC000902819314 1046075960 /nfs/dbraw/zinc/07/59/60/1046075960.db2.gz GHUUJRGTDPXADM-RTBURBONSA-N 1 0 322.408 4.131 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cccc(C#N)c1 ZINC000902816615 1046076817 /nfs/dbraw/zinc/07/68/17/1046076817.db2.gz QKIHQLOWULJYKR-UXHICEINSA-N 1 0 308.425 4.113 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)c1cccc(C#N)c1 ZINC000902826653 1046080793 /nfs/dbraw/zinc/08/07/93/1046080793.db2.gz HICDZCYQBVAPHB-RYUDHWBXSA-N 1 0 319.330 4.384 20 30 DIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902829473 1046081356 /nfs/dbraw/zinc/08/13/56/1046081356.db2.gz ABDABRUAJOPALX-KXBFYZLASA-N 1 0 323.440 4.400 20 30 DIEDRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902835937 1046082102 /nfs/dbraw/zinc/08/21/02/1046082102.db2.gz SHTDSLOSFIPFPD-WTOJCKNJSA-N 1 0 309.388 4.067 20 30 DIEDRO SC1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001138079994 1046084003 /nfs/dbraw/zinc/08/40/03/1046084003.db2.gz KEGVHPPGQQPOOR-UHFFFAOYSA-N 1 0 313.466 4.160 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2OC)c1cccc(C#N)c1 ZINC000902842536 1046084452 /nfs/dbraw/zinc/08/44/52/1046084452.db2.gz XDXXYAHSKWGELW-RBUKOAKNSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CC[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccccc1 ZINC000634676640 1046084915 /nfs/dbraw/zinc/08/49/15/1046084915.db2.gz JEJXMGRFNMUAMI-FBVQUNGASA-N 1 0 323.440 4.118 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1cccs1)c1cccc(C#N)c1 ZINC000902848636 1046085223 /nfs/dbraw/zinc/08/52/23/1046085223.db2.gz UVCRRSPDYJJDRC-XOKHGSTOSA-N 1 0 314.454 4.173 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001138080031 1046085668 /nfs/dbraw/zinc/08/56/68/1046085668.db2.gz LUGFLPNTAOJCTE-UHFFFAOYSA-N 1 0 305.421 4.111 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCC(C)(C)c2ccccc21)c1cc(C#N)ccn1 ZINC000902855011 1046087025 /nfs/dbraw/zinc/08/70/25/1046087025.db2.gz QUZOSZVWIXVKGP-KDOFPFPSSA-N 1 0 305.425 4.417 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000902891226 1046101662 /nfs/dbraw/zinc/10/16/62/1046101662.db2.gz QSNQFFQMBBRTID-SQNIBIBYSA-N 1 0 300.446 4.193 20 30 DIEDRO COc1cccc(C=C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000532124902 1046102108 /nfs/dbraw/zinc/10/21/08/1046102108.db2.gz BYSLTOZIYZBMKW-UHFFFAOYSA-N 1 0 318.420 4.246 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000532139837 1046105715 /nfs/dbraw/zinc/10/57/15/1046105715.db2.gz SWSYNHMXLYKILB-UHFFFAOYSA-N 1 0 303.377 4.076 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(OCC#N)cc1 ZINC000194697825 1046106143 /nfs/dbraw/zinc/10/61/43/1046106143.db2.gz RHOKZHZFWPVNSZ-GFCCVEGCSA-N 1 0 318.779 4.232 20 30 DIEDRO CC[C@H]([NH2+]C1(c2ccc(OC)cc2)CC1)c1cccc(C#N)c1 ZINC000902911366 1046107760 /nfs/dbraw/zinc/10/77/60/1046107760.db2.gz AFCDMPHYMNXDMK-IBGZPJMESA-N 1 0 306.409 4.297 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1cccc(C#N)c1 ZINC000756627959 1046112320 /nfs/dbraw/zinc/11/23/20/1046112320.db2.gz SSOWKILDFPCSGA-VXGBXAGGSA-N 1 0 300.789 4.329 20 30 DIEDRO CC[C@H]([NH2+][C@H](CCOC)c1ccc(C)o1)c1cccc(C#N)c1 ZINC000902943281 1046119705 /nfs/dbraw/zinc/11/97/05/1046119705.db2.gz XRCJFDOHWOZWFJ-ZWKOTPCHSA-N 1 0 312.413 4.278 20 30 DIEDRO C#CCCCCCC(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000779833481 1046120184 /nfs/dbraw/zinc/12/01/84/1046120184.db2.gz YVGTXXMUFDNTHZ-UHFFFAOYSA-N 1 0 300.446 4.051 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000756709313 1046121801 /nfs/dbraw/zinc/12/18/01/1046121801.db2.gz KUCWLJJFZDOYCR-FQEVSTJZSA-N 1 0 309.409 4.231 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1cccc(O[C@@H](C#N)CC)c1)c1cccnc1 ZINC000756709700 1046122642 /nfs/dbraw/zinc/12/26/42/1046122642.db2.gz NPYPGUBHQXGGBL-UYAOXDASSA-N 1 0 323.440 4.394 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000756733927 1046123568 /nfs/dbraw/zinc/12/35/68/1046123568.db2.gz TZHUNDHFTKZXNG-FIXISWKDSA-N 1 0 302.245 4.360 20 30 DIEDRO N#CCC1(C[NH2+][C@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000902979308 1046135692 /nfs/dbraw/zinc/13/56/92/1046135692.db2.gz QLUUDCPHUZKILY-LJQANCHMSA-N 1 0 305.425 4.039 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000902977178 1046135791 /nfs/dbraw/zinc/13/57/91/1046135791.db2.gz WSQRCOMEOFIMOD-UXHICEINSA-N 1 0 301.393 4.158 20 30 DIEDRO C[N@H+]1Cc2ccccc2[C@H](/N=C\c2c(O)ccc3ccccc32)C1 ZINC000756841209 1046141951 /nfs/dbraw/zinc/14/19/51/1046141951.db2.gz POMSURSEMXGRRG-CXFFPLRNSA-N 1 0 316.404 4.151 20 30 DIEDRO C[N@H+]1Cc2ccccc2[C@H](/N=C/c2c(O)ccc3ccccc32)C1 ZINC000756841210 1046142509 /nfs/dbraw/zinc/14/25/09/1046142509.db2.gz POMSURSEMXGRRG-XLKWYTADSA-N 1 0 316.404 4.151 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cccc(C#N)c1 ZINC000903018495 1046143113 /nfs/dbraw/zinc/14/31/13/1046143113.db2.gz CWHVZVHPELBWEP-LJQANCHMSA-N 1 0 307.441 4.492 20 30 DIEDRO C=CCCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000102337687 1046151396 /nfs/dbraw/zinc/15/13/96/1046151396.db2.gz APBONNMMTOFVHQ-UHFFFAOYSA-N 1 0 314.473 4.034 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000831624406 1046153101 /nfs/dbraw/zinc/15/31/01/1046153101.db2.gz VRQWOPYJMZCJOB-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO FC1(F)C[C@]12CC[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001138336163 1046153337 /nfs/dbraw/zinc/15/33/37/1046153337.db2.gz LOQSWYJMBUTPPO-FQEVSTJZSA-N 1 0 323.386 4.318 20 30 DIEDRO C#CCOc1ccc(C[N@@H+](C)[C@@H](CC)c2ccccc2)cc1OC ZINC001138349385 1046154930 /nfs/dbraw/zinc/15/49/30/1046154930.db2.gz XFTDGNPIUJHPRL-IBGZPJMESA-N 1 0 323.436 4.290 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1cccc(C#N)c1 ZINC000903072398 1046155595 /nfs/dbraw/zinc/15/55/95/1046155595.db2.gz KWWJFBBRAMNWDW-UYAOXDASSA-N 1 0 321.424 4.154 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OCC=C)c(OC)c1)c1ccccc1 ZINC000756997605 1046157579 /nfs/dbraw/zinc/15/75/79/1046157579.db2.gz ZBIUYVRUSPGXOM-IBGZPJMESA-N 1 0 321.420 4.114 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(C#N)c1 ZINC000903077526 1046157740 /nfs/dbraw/zinc/15/77/40/1046157740.db2.gz KYPJZMVSLNXFDR-BLLLJJGKSA-N 1 0 321.380 4.207 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1 ZINC000756996169 1046157986 /nfs/dbraw/zinc/15/79/86/1046157986.db2.gz OVCNXNPPXKMENT-AWEZNQCLSA-N 1 0 320.255 4.365 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000903079191 1046159196 /nfs/dbraw/zinc/15/91/96/1046159196.db2.gz FUMFEYYDIAMZLZ-OWCLPIDISA-N 1 0 308.347 4.496 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cccc(COC(C)=O)c1)c1ccncc1 ZINC000903097063 1046163283 /nfs/dbraw/zinc/16/32/83/1046163283.db2.gz BUQJMTMBUWGFTI-YWZLYKJASA-N 1 0 324.424 4.113 20 30 DIEDRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccc(C#N)cc1F ZINC000903160864 1046180601 /nfs/dbraw/zinc/18/06/01/1046180601.db2.gz VKNCVLUWBMQZBL-PRTUASRFSA-N 1 0 304.434 4.022 20 30 DIEDRO CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001138443369 1046182595 /nfs/dbraw/zinc/18/25/95/1046182595.db2.gz AGZSDVMCTDQYNQ-INIZCTEOSA-N 1 0 308.425 4.364 20 30 DIEDRO CCOc1ccc2ccccc2c1C[NH+]1CCC(S)CC1 ZINC001138444426 1046185093 /nfs/dbraw/zinc/18/50/93/1046185093.db2.gz RAESUUFYTYIALG-UHFFFAOYSA-N 1 0 301.455 4.133 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nc2c(s1)CCC2 ZINC000903191145 1046189079 /nfs/dbraw/zinc/18/90/79/1046189079.db2.gz OGLQREAWOQVJLK-MRXNPFEDSA-N 1 0 323.465 4.061 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nc2c(s1)CCC2 ZINC000903191144 1046189504 /nfs/dbraw/zinc/18/95/04/1046189504.db2.gz OGLQREAWOQVJLK-INIZCTEOSA-N 1 0 323.465 4.061 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000757705971 1046205228 /nfs/dbraw/zinc/20/52/28/1046205228.db2.gz MQTFSTGKDSDBOJ-MRXNPFEDSA-N 1 0 310.422 4.156 20 30 DIEDRO COc1ccc(-c2ccc(CN3CC[C@@](C)(C#N)C3)cc2)cc1 ZINC001138517915 1046209824 /nfs/dbraw/zinc/20/98/24/1046209824.db2.gz QFPKYIKSXDLTAC-FQEVSTJZSA-N 1 0 306.409 4.098 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001168158967 1046211135 /nfs/dbraw/zinc/21/11/35/1046211135.db2.gz OORNWHZEDYKNGP-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001168159690 1046212856 /nfs/dbraw/zinc/21/28/56/1046212856.db2.gz SEUDNHIPSLIHQP-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000903288326 1046224242 /nfs/dbraw/zinc/22/42/42/1046224242.db2.gz XOOJHFTUDDJMTJ-FZKQIMNGSA-N 1 0 309.369 4.268 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)cc1 ZINC001138557304 1046224603 /nfs/dbraw/zinc/22/46/03/1046224603.db2.gz FURMUFQKSZROHK-OAQYLSRUSA-N 1 0 321.420 4.044 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)cc1 ZINC001138557303 1046225678 /nfs/dbraw/zinc/22/56/78/1046225678.db2.gz FURMUFQKSZROHK-NRFANRHFSA-N 1 0 321.420 4.044 20 30 DIEDRO N#CCCc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000903298435 1046230232 /nfs/dbraw/zinc/23/02/32/1046230232.db2.gz SYUQQWOIIAZTHX-UHFFFAOYSA-N 1 0 319.452 4.219 20 30 DIEDRO COc1cc(CN(CCC#N)C2CCCC2)ccc1OC(C)C ZINC001138573951 1046231251 /nfs/dbraw/zinc/23/12/51/1046231251.db2.gz UBFRDFLSHMZYQH-UHFFFAOYSA-N 1 0 316.445 4.141 20 30 DIEDRO CC(C)Cc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000088715179 1046237167 /nfs/dbraw/zinc/23/71/67/1046237167.db2.gz BEXKOQYPRLJPJT-UHFFFAOYSA-N 1 0 308.425 4.077 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000245544272 1046240888 /nfs/dbraw/zinc/24/08/88/1046240888.db2.gz RUVGPCOCLZVXGI-PXNSSMCTSA-N 1 0 320.436 4.042 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000903332127 1046243857 /nfs/dbraw/zinc/24/38/57/1046243857.db2.gz HJGRCHABHAQSIV-KGLIPLIRSA-N 1 0 308.372 4.065 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000903332129 1046244170 /nfs/dbraw/zinc/24/41/70/1046244170.db2.gz HJGRCHABHAQSIV-ZIAGYGMSSA-N 1 0 308.372 4.065 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1O ZINC001138628816 1046246698 /nfs/dbraw/zinc/24/66/98/1046246698.db2.gz FXRWYZCQJZCKDQ-HXUWFJFHSA-N 1 0 323.436 4.164 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c1O ZINC001138625179 1046246873 /nfs/dbraw/zinc/24/68/73/1046246873.db2.gz GCYJOVHIOVSEDA-KRWDZBQOSA-N 1 0 323.436 4.119 20 30 DIEDRO C=CCc1cccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1O ZINC001138628190 1046247294 /nfs/dbraw/zinc/24/72/94/1046247294.db2.gz QHNNMEDRVXGAJJ-KRWDZBQOSA-N 1 0 303.421 4.225 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3C)C2)c1O ZINC001138629306 1046247330 /nfs/dbraw/zinc/24/73/30/1046247330.db2.gz UHDOZFFWQSWZAV-LJQANCHMSA-N 1 0 323.436 4.082 20 30 DIEDRO C=CCc1cccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1O ZINC001138628192 1046248154 /nfs/dbraw/zinc/24/81/54/1046248154.db2.gz QHNNMEDRVXGAJJ-QGZVFWFLSA-N 1 0 303.421 4.225 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000245630420 1046248909 /nfs/dbraw/zinc/24/89/09/1046248909.db2.gz ZUPCFOYTZVHDOW-IVSAIRAKSA-N 1 0 323.864 4.425 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)cc1 ZINC000245660281 1046253603 /nfs/dbraw/zinc/25/36/03/1046253603.db2.gz FQKQLIFTLQNOAO-ZOCZFRKYSA-N 1 0 320.436 4.391 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+]1CCCC[C@H]1CCOC ZINC001138664366 1046259324 /nfs/dbraw/zinc/25/93/24/1046259324.db2.gz OQKREHRDKAAIHI-SFHVURJKSA-N 1 0 303.446 4.033 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001138663627 1046260289 /nfs/dbraw/zinc/26/02/89/1046260289.db2.gz ARUDUCSNLCFXMZ-IBGZPJMESA-N 1 0 308.425 4.374 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001138665563 1046260916 /nfs/dbraw/zinc/26/09/16/1046260916.db2.gz QMPSLVZKEUIQHA-SFHVURJKSA-N 1 0 322.452 4.416 20 30 DIEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(CCCOC2)CC1 ZINC001138666240 1046262370 /nfs/dbraw/zinc/26/23/70/1046262370.db2.gz MMXLSXHSLVZKNA-UHFFFAOYSA-N 1 0 315.457 4.034 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000245714008 1046262441 /nfs/dbraw/zinc/26/24/41/1046262441.db2.gz GNNRQJIUXNJJEI-RZQQEMMASA-N 1 0 306.409 4.170 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1ccc(C#N)cc1 ZINC000903405729 1046267871 /nfs/dbraw/zinc/26/78/71/1046267871.db2.gz QTQPTSLECWNCLW-MGPUTAFESA-N 1 0 322.456 4.357 20 30 DIEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC000795330533 1046267841 /nfs/dbraw/zinc/26/78/41/1046267841.db2.gz AKEXRSNDTCNWNL-WBVHZDCISA-N 1 0 310.441 4.257 20 30 DIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC000191132783 1046271610 /nfs/dbraw/zinc/27/16/10/1046271610.db2.gz YMJMZMFZMPWUBR-UHFFFAOYSA-N 1 0 322.330 4.281 20 30 DIEDRO COc1cc(C)c(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(C)c1C ZINC001138725865 1046279124 /nfs/dbraw/zinc/27/91/24/1046279124.db2.gz RSRCGHMXJLPWES-UHFFFAOYSA-N 1 0 320.436 4.050 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cc3cccc(CC)c3nc2Cl)C1 ZINC001138730025 1046281572 /nfs/dbraw/zinc/28/15/72/1046281572.db2.gz PEMYMCHGWMATAS-AWEZNQCLSA-N 1 0 312.844 4.296 20 30 DIEDRO COc1cc(C)c(C[N@H+](CCC#N)C2CCCC2)c(C)c1C ZINC001138728025 1046282143 /nfs/dbraw/zinc/28/21/43/1046282143.db2.gz AWIDGMKNTMZYMP-UHFFFAOYSA-N 1 0 300.446 4.279 20 30 DIEDRO N#Cc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)ccc1F ZINC000758714082 1046287376 /nfs/dbraw/zinc/28/73/76/1046287376.db2.gz BEIGYPXYQVQVQH-UHFFFAOYSA-N 1 0 324.399 4.348 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(c3ccc(F)cc3)CC2)ccc1F ZINC000758726768 1046288678 /nfs/dbraw/zinc/28/86/78/1046288678.db2.gz SRRZHYUJSOJXBX-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001168181571 1046297383 /nfs/dbraw/zinc/29/73/83/1046297383.db2.gz FVJWVNFBZQDFGE-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO Cc1ccc2cc(CN3CCC[C@@H](CC#N)C3)c(Cl)nc2c1 ZINC001138862668 1046313403 /nfs/dbraw/zinc/31/34/03/1046313403.db2.gz NXBQJOOEZWLAFY-AWEZNQCLSA-N 1 0 313.832 4.322 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)ccc1OC ZINC000246206483 1046326509 /nfs/dbraw/zinc/32/65/09/1046326509.db2.gz PARNWYAEJFKXAZ-DJIMGWMZSA-N 1 0 316.445 4.044 20 30 DIEDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000832523967 1046336645 /nfs/dbraw/zinc/33/66/45/1046336645.db2.gz JWZNHWGTUOYWMC-FQEVSTJZSA-N 1 0 324.399 4.374 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccccc2Cl)cc1 ZINC001648980336 1046338104 /nfs/dbraw/zinc/33/81/04/1046338104.db2.gz ZUNYKGRTYVRWIA-UHFFFAOYSA-N 1 0 312.844 4.473 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001139029694 1046365741 /nfs/dbraw/zinc/36/57/41/1046365741.db2.gz HEZGLSLLHMCCBJ-HXUWFJFHSA-N 1 0 323.436 4.043 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)[C@H]1CC1(F)F ZINC000639181001 1046367252 /nfs/dbraw/zinc/36/72/52/1046367252.db2.gz LZFQXTFGAFAJIM-IMTBSYHQSA-N 1 0 315.232 4.117 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000780540135 1046376219 /nfs/dbraw/zinc/37/62/19/1046376219.db2.gz ZIQWOZXWYVYWKW-VQIMIIECSA-N 1 0 324.399 4.132 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000780540132 1046391366 /nfs/dbraw/zinc/39/13/66/1046391366.db2.gz ZIQWOZXWYVYWKW-LPHOPBHVSA-N 1 0 324.399 4.132 20 30 DIEDRO Cc1ccc(-c2cccc(C[NH2+]Cc3ccc(C#N)cn3)c2)cc1 ZINC000780556184 1046393973 /nfs/dbraw/zinc/39/39/73/1046393973.db2.gz UPMYUUJIIPYTKO-UHFFFAOYSA-N 1 0 313.404 4.219 20 30 DIEDRO CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000780726758 1046400447 /nfs/dbraw/zinc/40/04/47/1046400447.db2.gz NTNREMMRELOIJC-QAPCUYQASA-N 1 0 323.440 4.176 20 30 DIEDRO C=C(Cl)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000780847011 1046408049 /nfs/dbraw/zinc/40/80/49/1046408049.db2.gz NAUHEEJRTNIFNX-UHFFFAOYSA-N 1 0 323.827 4.381 20 30 DIEDRO N#C[C@@H]1CC[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001139199253 1046410659 /nfs/dbraw/zinc/41/06/59/1046410659.db2.gz CXWMIXRXDKGJCD-HNNXBMFYSA-N 1 0 301.393 4.180 20 30 DIEDRO C=CCOCC[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001168208312 1046422803 /nfs/dbraw/zinc/42/28/03/1046422803.db2.gz NQAMXFZIMDAEPH-OAQYLSRUSA-N 1 0 307.437 4.031 20 30 DIEDRO COc1ccc(-c2ccc(CN3CC[C@](C)(C#N)C3)s2)cc1 ZINC001139289112 1046425782 /nfs/dbraw/zinc/42/57/82/1046425782.db2.gz GECQVLXGGQEEKL-GOSISDBHSA-N 1 0 312.438 4.159 20 30 DIEDRO C=C(C)CN(CC)Cc1cc2ccc(OC)cc2nc1Cl ZINC001139307837 1046427057 /nfs/dbraw/zinc/42/70/57/1046427057.db2.gz PFVWOVQTKJHSQJ-UHFFFAOYSA-N 1 0 304.821 4.295 20 30 DIEDRO CC1(C)CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139406699 1046443331 /nfs/dbraw/zinc/44/33/31/1046443331.db2.gz CBNDZISLIBRSMD-UHFFFAOYSA-N 1 0 305.425 4.242 20 30 DIEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406629 1046443371 /nfs/dbraw/zinc/44/33/71/1046443371.db2.gz XNHFPMBJZIWYCE-HXUWFJFHSA-N 1 0 305.425 4.241 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)cc2)c1 ZINC001139402449 1046443490 /nfs/dbraw/zinc/44/34/90/1046443490.db2.gz RTSBIVRPHQLPKU-PMACEKPBSA-N 1 0 317.436 4.242 20 30 DIEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139402990 1046443819 /nfs/dbraw/zinc/44/38/19/1046443819.db2.gz DIFZSVWWQWZHGY-MRXNPFEDSA-N 1 0 305.425 4.385 20 30 DIEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405097 1046444062 /nfs/dbraw/zinc/44/40/62/1046444062.db2.gz IXZRLWKGGLFFHL-LJQANCHMSA-N 1 0 305.425 4.385 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000781420415 1046444080 /nfs/dbraw/zinc/44/40/80/1046444080.db2.gz KHPJNNOIHYPCPE-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000781421356 1046444674 /nfs/dbraw/zinc/44/46/74/1046444674.db2.gz PYUYGJXSJRBGFF-OAHLLOKOSA-N 1 0 323.415 4.148 20 30 DIEDRO CCCC[N@H+](CC)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423819 1046448657 /nfs/dbraw/zinc/44/86/57/1046448657.db2.gz JJGXMXMSPJFCQB-UHFFFAOYSA-N 1 0 309.413 4.368 20 30 DIEDRO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C[C@H]1CC1(C)C ZINC001139427853 1046451098 /nfs/dbraw/zinc/45/10/98/1046451098.db2.gz UKPHFWZDXHWBBL-QGZVFWFLSA-N 1 0 321.424 4.223 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)c(O)c(C(C)(C)C)c1 ZINC000781572810 1046456791 /nfs/dbraw/zinc/45/67/91/1046456791.db2.gz WESPBSIJUGJPAC-UHFFFAOYSA-N 1 0 300.446 4.124 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1F ZINC001139529475 1046463005 /nfs/dbraw/zinc/46/30/05/1046463005.db2.gz TYDQWPUAIGLCFP-GOSISDBHSA-N 1 0 308.400 4.467 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3cccs3)CC2)cc1F ZINC001139527294 1046463727 /nfs/dbraw/zinc/46/37/27/1046463727.db2.gz DNNOKBRKDCLPJW-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO CCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC001139595241 1046481163 /nfs/dbraw/zinc/48/11/63/1046481163.db2.gz FSXNNWWUNQKGNB-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)c1ccncc1 ZINC000781895546 1046484821 /nfs/dbraw/zinc/48/48/21/1046484821.db2.gz BTKZBELZZAETRA-LIRRHRJNSA-N 1 0 309.413 4.008 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000781914277 1046485792 /nfs/dbraw/zinc/48/57/92/1046485792.db2.gz WMFACJDYJWJVLD-FOIQADDNSA-N 1 0 306.409 4.060 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000781914288 1046486158 /nfs/dbraw/zinc/48/61/58/1046486158.db2.gz WMFACJDYJWJVLD-YWZLYKJASA-N 1 0 306.409 4.060 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781973796 1046490505 /nfs/dbraw/zinc/49/05/05/1046490505.db2.gz JRJQPEJPDUUBBO-HNNXBMFYSA-N 1 0 310.482 4.110 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](C)c1ccc(Br)cc1 ZINC000897472929 1046492402 /nfs/dbraw/zinc/49/24/02/1046492402.db2.gz UNTVOEKKMZMNRM-CHWSQXEVSA-N 1 0 309.251 4.082 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2cccnc2)cc1 ZINC001139644263 1046492543 /nfs/dbraw/zinc/49/25/43/1046492543.db2.gz ALFVTYZCXKTISR-IRTIRVBGSA-N 1 0 303.409 4.015 20 30 DIEDRO CCC[N@H+](CCc1ccccn1)Cc1cccc(Cl)c1C#N ZINC001139691911 1046499893 /nfs/dbraw/zinc/49/98/93/1046499893.db2.gz JHJFMDKYRZBCGI-UHFFFAOYSA-N 1 0 313.832 4.061 20 30 DIEDRO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001139691149 1046500184 /nfs/dbraw/zinc/50/01/84/1046500184.db2.gz UHBHTHNXWSVYNC-MRXNPFEDSA-N 1 0 310.828 4.276 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1F ZINC001139706186 1046500573 /nfs/dbraw/zinc/50/05/73/1046500573.db2.gz NXSVQBFCRYYDSL-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1 ZINC001139706306 1046501585 /nfs/dbraw/zinc/50/15/85/1046501585.db2.gz QQKZNFQBQSSJSC-UHFFFAOYSA-N 1 0 301.393 4.228 20 30 DIEDRO N#Cc1cccc2c(C[N@H+]3CCCC4(CC(F)C4)CC3)c[nH]c21 ZINC001139706079 1046501775 /nfs/dbraw/zinc/50/17/75/1046501775.db2.gz KLQZKRRSDCBBPR-UHFFFAOYSA-N 1 0 311.404 4.144 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1cccc(OC)c1 ZINC001139706463 1046501923 /nfs/dbraw/zinc/50/19/23/1046501923.db2.gz URQYHWCQOLLTRP-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139706317 1046502113 /nfs/dbraw/zinc/50/21/13/1046502113.db2.gz RBUCGWIIEOLNQK-AWEZNQCLSA-N 1 0 319.408 4.241 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)c[nH]c21 ZINC001139706504 1046502339 /nfs/dbraw/zinc/50/23/39/1046502339.db2.gz WTRHCDHKGUTPBA-QGZVFWFLSA-N 1 0 307.441 4.442 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cc1C#N ZINC001139726245 1046505880 /nfs/dbraw/zinc/50/58/80/1046505880.db2.gz CBJOVYMGSJEXPW-UHFFFAOYSA-N 1 0 315.420 4.118 20 30 DIEDRO Cc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1Br ZINC001139730312 1046505982 /nfs/dbraw/zinc/50/59/82/1046505982.db2.gz QOSPBBJKRATBDF-UHFFFAOYSA-N 1 0 321.262 4.416 20 30 DIEDRO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cc1C#N ZINC001139724501 1046506543 /nfs/dbraw/zinc/50/65/43/1046506543.db2.gz UOZTUICCAWFVMA-UHFFFAOYSA-N 1 0 319.452 4.099 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)cc1C#N ZINC001139724497 1046506602 /nfs/dbraw/zinc/50/66/02/1046506602.db2.gz UKEBWYGBIYEYJW-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1C#N ZINC001139726439 1046507506 /nfs/dbraw/zinc/50/75/06/1046507506.db2.gz NSRNLNLUQLGYPP-IBGZPJMESA-N 1 0 308.450 4.157 20 30 DIEDRO CS[C@H]1CCC[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C1 ZINC001202971067 1046516409 /nfs/dbraw/zinc/51/64/09/1046516409.db2.gz NQIGZLHNMNBYAV-SJORKVTESA-N 1 0 300.471 4.201 20 30 DIEDRO C[C@@H](c1ccco1)[N@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000092483938 1046520439 /nfs/dbraw/zinc/52/04/39/1046520439.db2.gz XSULVFWTJZMCPW-INIZCTEOSA-N 1 0 323.440 4.355 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139823425 1046526099 /nfs/dbraw/zinc/52/60/99/1046526099.db2.gz LJMNZYLDNBMUSL-XGBSXSJOSA-N 1 0 323.465 4.385 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001139823564 1046527452 /nfs/dbraw/zinc/52/74/52/1046527452.db2.gz QZQVMCFGEOHTHH-OAHLLOKOSA-N 1 0 311.454 4.244 20 30 DIEDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000359877348 1046528247 /nfs/dbraw/zinc/52/82/47/1046528247.db2.gz PUKQNFDVLVOCDZ-OXJNMPFZSA-N 1 0 319.452 4.466 20 30 DIEDRO COCC#CC[N@H+](C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000677817452 1046529321 /nfs/dbraw/zinc/52/93/21/1046529321.db2.gz MEEBAYVAXJXAGA-KRWDZBQOSA-N 1 0 323.436 4.005 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCCC[C@@H]21 ZINC000782501863 1046530777 /nfs/dbraw/zinc/53/07/77/1046530777.db2.gz AVCWUZQLQOCNJQ-KBRIMQKVSA-N 1 0 318.848 4.253 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000782543243 1046535536 /nfs/dbraw/zinc/53/55/36/1046535536.db2.gz GWFWTWNNCBHJLT-DOMZBBRYSA-N 1 0 314.351 4.044 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)cc1 ZINC001139874767 1046539996 /nfs/dbraw/zinc/53/99/96/1046539996.db2.gz LGFHKUWHKNACMN-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(C#N)c2)cc1 ZINC001139874945 1046540259 /nfs/dbraw/zinc/54/02/59/1046540259.db2.gz BQLBZUXYZNPBGD-FQEVSTJZSA-N 1 0 324.399 4.433 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)c3ccccc13)C2 ZINC001139890223 1046547133 /nfs/dbraw/zinc/54/71/33/1046547133.db2.gz RNXVLAGIKREDTI-UHFFFAOYSA-N 1 0 316.379 4.409 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000237339373 1046553662 /nfs/dbraw/zinc/55/36/62/1046553662.db2.gz ZIBAQSCPMGXCEK-IRXDYDNUSA-N 1 0 308.425 4.088 20 30 DIEDRO C#CC[N@H+](Cc1cc2ccccc2cn1)[C@@H]1CCc2ccccc21 ZINC001139999464 1046567119 /nfs/dbraw/zinc/56/71/19/1046567119.db2.gz UPSILUYAJMFAIW-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000248172710 1046573302 /nfs/dbraw/zinc/57/33/02/1046573302.db2.gz VBVIJWNHXOQDHW-YQQAZPJKSA-N 1 0 323.864 4.020 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)C[C@@H](c2ccccc2)C1 ZINC000783295055 1046574396 /nfs/dbraw/zinc/57/43/96/1046574396.db2.gz YEWOBLPBMYZJPI-ZAAXVRCTSA-N 1 0 305.425 4.015 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000783298631 1046575127 /nfs/dbraw/zinc/57/51/27/1046575127.db2.gz NQXJMIFCCCLSBP-IRXDYDNUSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000783298629 1046575199 /nfs/dbraw/zinc/57/51/99/1046575199.db2.gz NQXJMIFCCCLSBP-IAGOWNOFSA-N 1 0 322.493 4.110 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccn1 ZINC000729678893 1046575296 /nfs/dbraw/zinc/57/52/96/1046575296.db2.gz LSEMYJAZOCBBFN-YJBOKZPZSA-N 1 0 309.413 4.003 20 30 DIEDRO C=CCc1cc(C[NH2+]C2CCCCCC2)cc(OC)c1OC ZINC000729683521 1046576845 /nfs/dbraw/zinc/57/68/45/1046576845.db2.gz WGEWDVXDDQSLAU-UHFFFAOYSA-N 1 0 303.446 4.245 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000783325739 1046582222 /nfs/dbraw/zinc/58/22/22/1046582222.db2.gz AJCSMQFJRJQQOX-IKGGRYGDSA-N 1 0 322.493 4.157 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000678212931 1046585591 /nfs/dbraw/zinc/58/55/91/1046585591.db2.gz QKTDCFBVRAKZDI-UHFFFAOYSA-N 1 0 308.425 4.026 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678212965 1046586196 /nfs/dbraw/zinc/58/61/96/1046586196.db2.gz RFLWASPGJOVKMI-LJQANCHMSA-N 1 0 309.409 4.294 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000678213068 1046586805 /nfs/dbraw/zinc/58/68/05/1046586805.db2.gz UOKJWARCGZBQGM-HXUWFJFHSA-N 1 0 309.409 4.294 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)c2c1 ZINC001140114570 1046592876 /nfs/dbraw/zinc/59/28/76/1046592876.db2.gz TUWFDMRWZUTYIX-SFHVURJKSA-N 1 0 315.420 4.419 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc2cnccc21 ZINC000783441201 1046595815 /nfs/dbraw/zinc/59/58/15/1046595815.db2.gz SXKOFFPXWRPCPL-UHFFFAOYSA-N 1 0 304.368 4.009 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)c(C)o1 ZINC000237494334 1046596758 /nfs/dbraw/zinc/59/67/58/1046596758.db2.gz POCOVCKIDBCTJI-HNNXBMFYSA-N 1 0 312.413 4.430 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001140139127 1046597152 /nfs/dbraw/zinc/59/71/52/1046597152.db2.gz HAHAEWUBTIDSJV-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ccc(OCC#N)cc1 ZINC000729686046 1046600275 /nfs/dbraw/zinc/60/02/75/1046600275.db2.gz ULVGRVCTCSNAMD-GLJUWKHASA-N 1 0 310.397 4.156 20 30 DIEDRO COc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)ccc1C ZINC001140158472 1046604094 /nfs/dbraw/zinc/60/40/94/1046604094.db2.gz QKOWOJIUVPNOIM-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@@H]2CCCC[C@H]21 ZINC000783592754 1046613010 /nfs/dbraw/zinc/61/30/10/1046613010.db2.gz JGZGTBKIZVWNLX-LSTHTHJFSA-N 1 0 311.473 4.047 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000783638260 1046616917 /nfs/dbraw/zinc/61/69/17/1046616917.db2.gz AOZTYSDGZOAUGQ-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000093439461 1046627322 /nfs/dbraw/zinc/62/73/22/1046627322.db2.gz GMKYRNNVICJFNB-XLIONFOSSA-N 1 0 310.441 4.300 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000532968124 1046633641 /nfs/dbraw/zinc/63/36/41/1046633641.db2.gz UISLNFRJRMNEFN-INIZCTEOSA-N 1 0 302.462 4.254 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2cc3ccccc3o2)cc1 ZINC000093689158 1046634423 /nfs/dbraw/zinc/63/44/23/1046634423.db2.gz FCPWEIUNCFJSHB-OAHLLOKOSA-N 1 0 320.392 4.356 20 30 DIEDRO COc1cccc(C2=CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000533075087 1046649590 /nfs/dbraw/zinc/64/95/90/1046649590.db2.gz GWLAOFAKHLNACV-MRXNPFEDSA-N 1 0 318.420 4.417 20 30 DIEDRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000533079643 1046650962 /nfs/dbraw/zinc/65/09/62/1046650962.db2.gz WYBKQNZHIAPWJQ-MRXNPFEDSA-N 1 0 312.438 4.138 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1cccnc1 ZINC001140317836 1046653174 /nfs/dbraw/zinc/65/31/74/1046653174.db2.gz SJSCQZGXYCZCON-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C[C@H](O)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000795787242 1046677316 /nfs/dbraw/zinc/67/73/16/1046677316.db2.gz PWVGZHBIIPSXNM-YCRPNKLZSA-N 1 0 320.436 4.169 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(Cl)nc1C#N ZINC001211986233 1046681364 /nfs/dbraw/zinc/68/13/64/1046681364.db2.gz JTXLYCGGVGECSF-UHFFFAOYSA-N 1 0 314.820 4.192 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000795838913 1046685319 /nfs/dbraw/zinc/68/53/19/1046685319.db2.gz IZNAFDUNKOOWMA-YVEFUNNKSA-N 1 0 311.816 4.335 20 30 DIEDRO C#CCCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000784414589 1046690525 /nfs/dbraw/zinc/69/05/25/1046690525.db2.gz KJQDNMLOTHDOBT-UHFFFAOYSA-N 1 0 306.247 4.042 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741932 1046692614 /nfs/dbraw/zinc/69/26/14/1046692614.db2.gz HEDTUOUTJCDBDE-IAGOWNOFSA-N 1 0 308.425 4.113 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741933 1046693099 /nfs/dbraw/zinc/69/30/99/1046693099.db2.gz HEDTUOUTJCDBDE-IRXDYDNUSA-N 1 0 308.425 4.113 20 30 DIEDRO COc1c(C)cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1Cl ZINC000834880330 1046694855 /nfs/dbraw/zinc/69/48/55/1046694855.db2.gz ULDDERDOQAOBSW-IPYPFGDCSA-N 1 0 306.837 4.390 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)CCCCO)cc1 ZINC000834878100 1046695364 /nfs/dbraw/zinc/69/53/64/1046695364.db2.gz MQPGJGBTZKVQBU-HUUCEWRRSA-N 1 0 311.853 4.020 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cnccc2C)cc1 ZINC000834886942 1046701060 /nfs/dbraw/zinc/70/10/60/1046701060.db2.gz GFBKXSSYJWXIHK-HNNXBMFYSA-N 1 0 316.832 4.372 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C2(C)CCC(F)(F)CC2)cc1 ZINC000784621787 1046701497 /nfs/dbraw/zinc/70/14/97/1046701497.db2.gz OFMKQFKEQXDSSE-UHFFFAOYSA-N 1 0 321.415 4.094 20 30 DIEDRO CC(=O)c1c(C)cc(C)c(C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026326086 1046702860 /nfs/dbraw/zinc/70/28/60/1046702860.db2.gz JKSLTFHZUSFLBL-UHFFFAOYSA-N 1 0 320.436 4.318 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000533368041 1046708797 /nfs/dbraw/zinc/70/87/97/1046708797.db2.gz JQTBWNOEJDLVJN-LJQANCHMSA-N 1 0 312.363 4.467 20 30 DIEDRO CN1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000246130508 1046712516 /nfs/dbraw/zinc/71/25/16/1046712516.db2.gz JPSJUERFWROORY-DOTOQJQBSA-N 1 0 319.518 4.051 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000834904591 1046713763 /nfs/dbraw/zinc/71/37/63/1046713763.db2.gz ZPFBAJVSRKUSTM-RXVVDRJESA-N 1 0 323.411 4.065 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000533427481 1046720464 /nfs/dbraw/zinc/72/04/64/1046720464.db2.gz WYFRVQQDGIFWAS-OAHLLOKOSA-N 1 0 306.425 4.139 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000533436899 1046723637 /nfs/dbraw/zinc/72/36/37/1046723637.db2.gz QPWJYDNYZHSELM-LLVKDONJSA-N 1 0 315.244 4.218 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1-c1nccs1)C1CCCC1 ZINC001140452683 1046731865 /nfs/dbraw/zinc/73/18/65/1046731865.db2.gz NMYCHMOGAUCGSS-UHFFFAOYSA-N 1 0 311.454 4.468 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c[nH]c2ncc(Br)cc12 ZINC001140460711 1046735798 /nfs/dbraw/zinc/73/57/98/1046735798.db2.gz OWQVSUBXAIEETC-UHFFFAOYSA-N 1 0 322.250 4.114 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccco1 ZINC000796846575 1046743898 /nfs/dbraw/zinc/74/38/98/1046743898.db2.gz OBXQHKRNHMDBJX-HZPDHXFCSA-N 1 0 323.795 4.403 20 30 DIEDRO C=CC[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ccncc1 ZINC000835040637 1046746318 /nfs/dbraw/zinc/74/63/18/1046746318.db2.gz QXTBSYDHJMPNSP-ZEZYUPADSA-N 1 0 307.441 4.068 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C(C)C)cc1C#N ZINC000533538990 1046747092 /nfs/dbraw/zinc/74/70/92/1046747092.db2.gz GALAXLGSGNCSHT-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000835041535 1046747162 /nfs/dbraw/zinc/74/71/62/1046747162.db2.gz MUBHHUXBIMRHGI-QQUYBBDPSA-N 1 0 319.452 4.400 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1c(C#N)cccc1C#N ZINC001211994288 1046749929 /nfs/dbraw/zinc/74/99/29/1046749929.db2.gz QQNGAJBVVPGSSB-UHFFFAOYSA-N 1 0 304.397 4.015 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(C#N)c(OC)c1 ZINC001211995622 1046760999 /nfs/dbraw/zinc/76/09/99/1046760999.db2.gz HECVXWZLJYLFGF-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(C#N)cc(OC)c1 ZINC001211996344 1046763906 /nfs/dbraw/zinc/76/39/06/1046763906.db2.gz WTGAAMVMOSFNDK-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC001255155632 1046783813 /nfs/dbraw/zinc/78/38/13/1046783813.db2.gz RSFAGHORAZPSLS-ZFWWWQNUSA-N 1 0 307.235 4.108 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001140596915 1046801582 /nfs/dbraw/zinc/80/15/82/1046801582.db2.gz UCAJBAJVMAAWBB-UHFFFAOYSA-N 1 0 318.461 4.109 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(C(=O)NC(C)C)cc1)C1CCCCC1 ZINC001140616752 1046811740 /nfs/dbraw/zinc/81/17/40/1046811740.db2.gz OCNATGQSZMZPDB-UHFFFAOYSA-N 1 0 314.473 4.146 20 30 DIEDRO Cc1cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc(C)c1O ZINC001140659925 1046840230 /nfs/dbraw/zinc/84/02/30/1046840230.db2.gz ZFTDHVOEIPEISX-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO CC[N@H+](Cc1cc(C)nc(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000797590141 1046857156 /nfs/dbraw/zinc/85/71/56/1046857156.db2.gz ZGFXAALPUASIIN-CQSZACIVSA-N 1 0 313.832 4.498 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000679576616 1046873283 /nfs/dbraw/zinc/87/32/83/1046873283.db2.gz PZCXWLKIQMQXDC-LLVKDONJSA-N 1 0 308.472 4.033 20 30 DIEDRO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)cc1F ZINC001140756876 1046888029 /nfs/dbraw/zinc/88/80/29/1046888029.db2.gz RBKWCOSSQWXTHS-SFHVURJKSA-N 1 0 304.384 4.381 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000797876771 1046899834 /nfs/dbraw/zinc/89/98/34/1046899834.db2.gz FMXRTXFIYXUGJF-MXVIHJGJSA-N 1 0 319.452 4.072 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000797878267 1046900250 /nfs/dbraw/zinc/90/02/50/1046900250.db2.gz RLZVFPXZWLIKMD-HIFRSBDPSA-N 1 0 313.413 4.072 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000797878266 1046900414 /nfs/dbraw/zinc/90/04/14/1046900414.db2.gz RLZVFPXZWLIKMD-DZGCQCFKSA-N 1 0 313.413 4.072 20 30 DIEDRO C[N@H+](CCc1ccccc1F)Cc1cccc(C#N)c1Cl ZINC001140814020 1046913900 /nfs/dbraw/zinc/91/39/00/1046913900.db2.gz ALJAYCVWJXJXMD-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@]2(CCN(CC=C(C)C)C2=O)CC1 ZINC001276346318 1046914645 /nfs/dbraw/zinc/91/46/45/1046914645.db2.gz RIFMMNMTTNMUPL-HXUWFJFHSA-N 1 0 318.505 4.014 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796333404 1046925720 /nfs/dbraw/zinc/92/57/20/1046925720.db2.gz KOICCJWAFCUVCS-HUUCEWRRSA-N 1 0 309.416 4.230 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000796333431 1046926431 /nfs/dbraw/zinc/92/64/31/1046926431.db2.gz KOICCJWAFCUVCS-LSDHHAIUSA-N 1 0 309.416 4.230 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796342614 1046929395 /nfs/dbraw/zinc/92/93/95/1046929395.db2.gz VAEMJWFIYFXZLT-GTPINHCMSA-N 1 0 324.509 4.404 20 30 DIEDRO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796355813 1046932784 /nfs/dbraw/zinc/93/27/84/1046932784.db2.gz GZIMMOMNJALYRW-FQEVSTJZSA-N 1 0 322.452 4.162 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccco1 ZINC000475997435 1046935361 /nfs/dbraw/zinc/93/53/61/1046935361.db2.gz LDRBOIKLNUBVKX-INIZCTEOSA-N 1 0 315.413 4.136 20 30 DIEDRO C[C@H]1SCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000303681110 1046945653 /nfs/dbraw/zinc/94/56/53/1046945653.db2.gz JAURUKAKCJGZDZ-BEFAXECRSA-N 1 0 308.450 4.237 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000303742682 1046953717 /nfs/dbraw/zinc/95/37/17/1046953717.db2.gz IXCMLJJSSDLMQO-YJBOKZPZSA-N 1 0 308.400 4.384 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000303742676 1046954328 /nfs/dbraw/zinc/95/43/28/1046954328.db2.gz IXCMLJJSSDLMQO-MAUKXSAKSA-N 1 0 308.400 4.384 20 30 DIEDRO N#CCC1CC[NH+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941859 1046955443 /nfs/dbraw/zinc/95/54/43/1046955443.db2.gz WRAGVNVRDVKALL-UHFFFAOYSA-N 1 0 313.832 4.256 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1c(F)cc(Br)cc1F ZINC001258721549 1046956841 /nfs/dbraw/zinc/95/68/41/1046956841.db2.gz YYZRBEWTFDSBEF-SECBINFHSA-N 1 0 304.178 4.172 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H]2c2ccccc2)c1O ZINC000836447863 1046959910 /nfs/dbraw/zinc/95/99/10/1046959910.db2.gz LLPXARCTSHUDKS-FQEVSTJZSA-N 1 0 323.436 4.466 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1O ZINC000836447865 1046960320 /nfs/dbraw/zinc/96/03/20/1046960320.db2.gz LLPXARCTSHUDKS-HXUWFJFHSA-N 1 0 323.436 4.466 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCc2cccs2)cc1 ZINC000303768187 1046963778 /nfs/dbraw/zinc/96/37/78/1046963778.db2.gz ACXUVQULVGLDAO-CYBMUJFWSA-N 1 0 301.459 4.231 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2c(Cl)ccc3cccnc32)c1 ZINC000611586383 1046964050 /nfs/dbraw/zinc/96/40/50/1046964050.db2.gz NYJSLSSSWZQPRX-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cccc(-c2ncccn2)c1 ZINC001140981808 1046967529 /nfs/dbraw/zinc/96/75/29/1046967529.db2.gz XJWVIZWAQVPRCN-UHFFFAOYSA-N 1 0 315.420 4.332 20 30 DIEDRO C=CC[N@H+](Cc1cccc(-c2ncccn2)c1)C1CCCCC1 ZINC001140981945 1046968561 /nfs/dbraw/zinc/96/85/61/1046968561.db2.gz ARLOYAUQDGFWDL-UHFFFAOYSA-N 1 0 307.441 4.464 20 30 DIEDRO CCCCCCCC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001137408535 1046974764 /nfs/dbraw/zinc/97/47/64/1046974764.db2.gz MITLKTSPHQYPHJ-HKUYNNGSSA-N 1 0 316.489 4.126 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168274289 1046975567 /nfs/dbraw/zinc/97/55/67/1046975567.db2.gz CGTWTJLVLJZGIK-GHMZBOCLSA-N 1 0 304.381 4.306 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccs1 ZINC000182562203 1046981251 /nfs/dbraw/zinc/98/12/51/1046981251.db2.gz QHENRIQAKIVEPX-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC001141039614 1046986877 /nfs/dbraw/zinc/98/68/77/1046986877.db2.gz NOACFROBYQKMRJ-UHFFFAOYSA-N 1 0 309.409 4.036 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000798930262 1046987601 /nfs/dbraw/zinc/98/76/01/1046987601.db2.gz MPLUWGIKNACRRG-SJLPKXTDSA-N 1 0 323.415 4.217 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000303917366 1047000218 /nfs/dbraw/zinc/00/02/18/1047000218.db2.gz VJZDYRIOUGCBOC-SUMWQHHRSA-N 1 0 312.363 4.214 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCCc2c(C)[nH]c3ccccc32)c1 ZINC000303970433 1047012089 /nfs/dbraw/zinc/01/20/89/1047012089.db2.gz CPBMFSHTOXAZFN-UHFFFAOYSA-N 1 0 320.440 4.008 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1c(C)nn(C(C)(C)C)c1C)c1ccccc1 ZINC000271765011 1047012638 /nfs/dbraw/zinc/01/26/38/1047012638.db2.gz ABAYPBUFOZHSFF-LJQANCHMSA-N 1 0 309.457 4.109 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(C(C)=O)ccc1OCC)c1ccccc1 ZINC000271713690 1047013241 /nfs/dbraw/zinc/01/32/41/1047013241.db2.gz OTVGEAQFJPGYNN-HXUWFJFHSA-N 1 0 321.420 4.142 20 30 DIEDRO CCN(Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1F ZINC001141114477 1047017007 /nfs/dbraw/zinc/01/70/07/1047017007.db2.gz QHCIOYLZMQJLMG-UHFFFAOYSA-N 1 0 323.824 4.017 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141112787 1047017295 /nfs/dbraw/zinc/01/72/95/1047017295.db2.gz MMYLGDLGTVJKCT-CYBMUJFWSA-N 1 0 319.861 4.438 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1sc(C)nc1C(F)(F)F)c1ccccc1 ZINC000273548636 1047017855 /nfs/dbraw/zinc/01/78/55/1047017855.db2.gz BOYUPHHAPROCTL-ZDUSSCGKSA-N 1 0 324.371 4.325 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141183401 1047038651 /nfs/dbraw/zinc/03/86/51/1047038651.db2.gz FHAHQMZDOFGUGC-UHFFFAOYSA-N 1 0 320.436 4.294 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141184767 1047039051 /nfs/dbraw/zinc/03/90/51/1047039051.db2.gz OJDDHIZRSWLRBX-UHFFFAOYSA-N 1 0 320.436 4.294 20 30 DIEDRO CCc1ccc(NC(=[NH2+])NC[C@H](C)c2ccc(F)cc2F)cc1 ZINC000304754331 1047050023 /nfs/dbraw/zinc/05/00/23/1047050023.db2.gz LUUCNPPHQHKKHC-LBPRGKRZSA-N 1 0 317.383 4.058 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCc2ccccc2OC2CCC2)cc1C ZINC000304743104 1047050144 /nfs/dbraw/zinc/05/01/44/1047050144.db2.gz CXDMOVVSTXXZGT-UHFFFAOYSA-N 1 0 323.440 4.162 20 30 DIEDRO CCc1nc(CNC(=[NH2+])Nc2ccc([C@@H](C)CC)cc2)cs1 ZINC000304758996 1047052228 /nfs/dbraw/zinc/05/22/28/1047052228.db2.gz QTDGIULLMFNTRD-LBPRGKRZSA-N 1 0 316.474 4.146 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cc(F)ccc2F)c1 ZINC000304762555 1047053696 /nfs/dbraw/zinc/05/36/96/1047053696.db2.gz VUZKRWNBUBABHH-UHFFFAOYSA-N 1 0 303.356 4.015 20 30 DIEDRO CCc1ccccc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001141227754 1047056606 /nfs/dbraw/zinc/05/66/06/1047056606.db2.gz HQAFUXSEXJLSQO-UHFFFAOYSA-N 1 0 320.436 4.164 20 30 DIEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Cl)ccc1O ZINC000799725439 1047056702 /nfs/dbraw/zinc/05/67/02/1047056702.db2.gz HCELHANKDFJVJT-ZUEPYMLJSA-N 1 0 306.837 4.416 20 30 DIEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc2c(c1)CCCO2 ZINC000799726550 1047056941 /nfs/dbraw/zinc/05/69/41/1047056941.db2.gz PRFXNDBUKUHCDY-RJYAGPCLSA-N 1 0 312.457 4.382 20 30 DIEDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2cc(C#N)cs2)o1 ZINC000536666944 1047058427 /nfs/dbraw/zinc/05/84/27/1047058427.db2.gz VAUUTPKCXCTXIA-WBMJQRKESA-N 1 0 300.427 4.494 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](C)Sc2ccccc2)cc1C ZINC000304803764 1047059902 /nfs/dbraw/zinc/05/99/02/1047059902.db2.gz QGYYHEFMPYNIMI-OAHLLOKOSA-N 1 0 313.470 4.211 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(F)cc1 ZINC000536860050 1047115132 /nfs/dbraw/zinc/11/51/32/1047115132.db2.gz VXFUEBMMBHGOLD-AWEZNQCLSA-N 1 0 314.429 4.281 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cc(F)cc2c1OCOC2 ZINC001141394114 1047116486 /nfs/dbraw/zinc/11/64/86/1047116486.db2.gz LTEXGSKMZKRORN-UHFFFAOYSA-N 1 0 309.425 4.485 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000536874229 1047117064 /nfs/dbraw/zinc/11/70/64/1047117064.db2.gz CMJPXRIDECKXGX-LBPRGKRZSA-N 1 0 309.356 4.469 20 30 DIEDRO CCCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459625753 1047121659 /nfs/dbraw/zinc/12/16/59/1047121659.db2.gz BYVVUOQZOYYEMN-MRXNPFEDSA-N 1 0 312.498 4.288 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cnc(C(F)(F)F)nc1 ZINC001141460013 1047139140 /nfs/dbraw/zinc/13/91/40/1047139140.db2.gz FQDGKWDMSUFGSO-UHFFFAOYSA-N 1 0 321.346 4.074 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+]([C@H]3CCc4c3cccc4F)CC2)cc1 ZINC001116436241 1047140575 /nfs/dbraw/zinc/14/05/75/1047140575.db2.gz FTFXCZYWHQOIML-NRFANRHFSA-N 1 0 318.395 4.474 20 30 DIEDRO COc1cccc(F)c1[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000537158266 1047143904 /nfs/dbraw/zinc/14/39/04/1047143904.db2.gz UINPLMDXWLDDKC-ZDUSSCGKSA-N 1 0 317.791 4.190 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC001116466768 1047144604 /nfs/dbraw/zinc/14/46/04/1047144604.db2.gz IAWHNVCROBOQAN-LEWJYISDSA-N 1 0 320.436 4.405 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC001116477770 1047146995 /nfs/dbraw/zinc/14/69/95/1047146995.db2.gz KYCJYXVYDSSSTN-UXHICEINSA-N 1 0 324.399 4.052 20 30 DIEDRO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC1(C#N)CC1 ZINC000537247289 1047156202 /nfs/dbraw/zinc/15/62/02/1047156202.db2.gz CCUXJLWVXGPISA-DYESRHJHSA-N 1 0 316.448 4.369 20 30 DIEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000537288470 1047159769 /nfs/dbraw/zinc/15/97/69/1047159769.db2.gz CDSMMXDTKIDBEZ-CSODHUTKSA-N 1 0 319.452 4.044 20 30 DIEDRO CC[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Oc1cccc(F)c1 ZINC000537293443 1047161838 /nfs/dbraw/zinc/16/18/38/1047161838.db2.gz SPPXYGADXCVAAA-RDTXWAMCSA-N 1 0 312.388 4.206 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(OC2CCCC2)c1 ZINC001141523179 1047161987 /nfs/dbraw/zinc/16/19/87/1047161987.db2.gz FOQNKTSTXMZOPG-UHFFFAOYSA-N 1 0 303.446 4.415 20 30 DIEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)o1 ZINC001116723126 1047172216 /nfs/dbraw/zinc/17/22/16/1047172216.db2.gz AZHDLIDHLLLAQC-PYMACOCMSA-N 1 0 306.409 4.117 20 30 DIEDRO CC(C)(C#N)CC[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000537366787 1047176658 /nfs/dbraw/zinc/17/66/58/1047176658.db2.gz ZQHGHNHHXGPHOW-UHFFFAOYSA-N 1 0 323.278 4.300 20 30 DIEDRO COc1ccc(C[N@H+](CCC(C)(C)C#N)C(C)(C)C)c(OC)c1 ZINC000537364910 1047176680 /nfs/dbraw/zinc/17/66/80/1047176680.db2.gz YCTNRBLLQWCRRT-UHFFFAOYSA-N 1 0 318.461 4.244 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001116824996 1047180303 /nfs/dbraw/zinc/18/03/03/1047180303.db2.gz CDVLEBHEHZOOGJ-BVGQSLNGSA-N 1 0 318.420 4.398 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001116824999 1047180469 /nfs/dbraw/zinc/18/04/69/1047180469.db2.gz CDVLEBHEHZOOGJ-XWIAVFTESA-N 1 0 318.420 4.398 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)c1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000537406885 1047181014 /nfs/dbraw/zinc/18/10/14/1047181014.db2.gz KFOIPUCJPZBCJE-ZDUSSCGKSA-N 1 0 314.379 4.465 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000537407365 1047181497 /nfs/dbraw/zinc/18/14/97/1047181497.db2.gz KAIATLSGKYNDBD-CHWSQXEVSA-N 1 0 300.352 4.291 20 30 DIEDRO CCOCCC1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CCCC1 ZINC000537408284 1047181842 /nfs/dbraw/zinc/18/18/42/1047181842.db2.gz SUSYZJWCMJSUJH-OAHLLOKOSA-N 1 0 318.436 4.335 20 30 DIEDRO COCCSc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000537413543 1047182840 /nfs/dbraw/zinc/18/28/40/1047182840.db2.gz NLGIZGFGNPOHRK-CQSZACIVSA-N 1 0 306.475 4.016 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001117105619 1047193825 /nfs/dbraw/zinc/19/38/25/1047193825.db2.gz ZFLJWLNOMMMVEA-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000839170415 1047202185 /nfs/dbraw/zinc/20/21/85/1047202185.db2.gz MFKYVVDDWIDELX-RTWAWAEBSA-N 1 0 320.436 4.357 20 30 DIEDRO CCC1(c2ccccc2)C[NH+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000839187273 1047202463 /nfs/dbraw/zinc/20/24/63/1047202463.db2.gz TVOIFYFHSKSRCH-QGZVFWFLSA-N 1 0 320.436 4.141 20 30 DIEDRO C[N@H+](Cc1c[nH]c2cc(Cl)ccc12)Cc1cccc(C#N)c1 ZINC001141590295 1047207902 /nfs/dbraw/zinc/20/79/02/1047207902.db2.gz ATNHEBMPMDMAMY-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC([C@H](O)c2ccccc2C)CC1 ZINC000796417007 1047219212 /nfs/dbraw/zinc/21/92/12/1047219212.db2.gz LVGXXELJDIDAQM-PXNSSMCTSA-N 1 0 301.474 4.485 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(OC)cc1OC ZINC001203112718 1047238977 /nfs/dbraw/zinc/23/89/77/1047238977.db2.gz CPJQCUXSLUNYDT-BBRMVZONSA-N 1 0 307.409 4.067 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C/C=C\C3CC3)c2)c1 ZINC001117759811 1047243086 /nfs/dbraw/zinc/24/30/86/1047243086.db2.gz COMGBZAIYVTTFZ-CLTKARDFSA-N 1 0 318.420 4.193 20 30 DIEDRO N#CC1(CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CCCCC1 ZINC000839505257 1047243267 /nfs/dbraw/zinc/24/32/67/1047243267.db2.gz LUZWKXWZBSDWLQ-SJORKVTESA-N 1 0 316.445 4.032 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC23CCCCC3)c1 ZINC001141655564 1047250486 /nfs/dbraw/zinc/25/04/86/1047250486.db2.gz CXHWJUKMHFRHFA-UHFFFAOYSA-N 1 0 319.246 4.229 20 30 DIEDRO N#CCCC[C@H]([NH2+]CC[C@H](O)c1ccccc1)c1ccccc1 ZINC000839608234 1047250655 /nfs/dbraw/zinc/25/06/55/1047250655.db2.gz QUKKTAFKFGDYNW-PMACEKPBSA-N 1 0 308.425 4.135 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccccc1 ZINC000839608240 1047251128 /nfs/dbraw/zinc/25/11/28/1047251128.db2.gz QUKKTAFKFGDYNW-WOJBJXKFSA-N 1 0 308.425 4.135 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@H](O)c1ccccc1 ZINC000839602089 1047251816 /nfs/dbraw/zinc/25/18/16/1047251816.db2.gz OWIIAFCXAYRNEG-RTBURBONSA-N 1 0 314.473 4.198 20 30 DIEDRO C[N@H+](CC#Cc1ccccc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000683007154 1047257069 /nfs/dbraw/zinc/25/70/69/1047257069.db2.gz YLSIKFKSQGRRFU-FGZHOGPDSA-N 1 0 319.448 4.138 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001203113813 1047287046 /nfs/dbraw/zinc/28/70/46/1047287046.db2.gz RKUSZTJUBDMXJZ-ICSRJNTNSA-N 1 0 309.457 4.312 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001203113814 1047289333 /nfs/dbraw/zinc/28/93/33/1047289333.db2.gz RKUSZTJUBDMXJZ-QUCCMNQESA-N 1 0 309.457 4.312 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000897794763 1047289560 /nfs/dbraw/zinc/28/95/60/1047289560.db2.gz YIDSINXAHJHXJE-MRXNPFEDSA-N 1 0 300.471 4.006 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC2(CC2(F)F)C1 ZINC001118431388 1047295951 /nfs/dbraw/zinc/29/59/51/1047295951.db2.gz SFJPKXWXEWRWCS-WIHSUSGWSA-N 1 0 302.368 4.103 20 30 DIEDRO C=C(C)C[N@@H+](CCc1cccs1)Cc1cnn(C(C)C)c1 ZINC000796453981 1047296103 /nfs/dbraw/zinc/29/61/03/1047296103.db2.gz MZOWOQJCNJBAKX-UHFFFAOYSA-N 1 0 303.475 4.146 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001118489397 1047300486 /nfs/dbraw/zinc/30/04/86/1047300486.db2.gz KYDCVXQUHSEVRL-SPUZQDLCSA-N 1 0 316.395 4.349 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cncs1 ZINC000897933357 1047301035 /nfs/dbraw/zinc/30/10/35/1047301035.db2.gz VRKCEVKGUDSPAY-NXVRBGIVSA-N 1 0 311.454 4.198 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000390855899 1047302409 /nfs/dbraw/zinc/30/24/09/1047302409.db2.gz JNWRWGRQBYZPHF-DZGCQCFKSA-N 1 0 308.372 4.065 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000391924438 1047306911 /nfs/dbraw/zinc/30/69/11/1047306911.db2.gz HQQLSOXJVDQGTL-MRXNPFEDSA-N 1 0 324.424 4.227 20 30 DIEDRO C(=NOCc1cccc(C[NH+]2CCCCC2)c1)c1cccs1 ZINC000842015497 1047310730 /nfs/dbraw/zinc/31/07/30/1047310730.db2.gz LVEYQYRTCUMJCS-UHFFFAOYSA-N 1 0 314.454 4.285 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(C#N)c(SC)n1 ZINC001141941246 1047313309 /nfs/dbraw/zinc/31/33/09/1047313309.db2.gz AZXPQNLDERMIEH-KRWDZBQOSA-N 1 0 311.454 4.258 20 30 DIEDRO N#Cc1ccc(NC2CC[NH+](CC3CCCCC3)CC2)c(F)c1 ZINC000725788951 1047314420 /nfs/dbraw/zinc/31/44/20/1047314420.db2.gz REPJGOZLXHBPAK-UHFFFAOYSA-N 1 0 315.436 4.154 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)C1 ZINC000651670674 1047323192 /nfs/dbraw/zinc/32/31/92/1047323192.db2.gz RKERKYCHCZDKLG-MAUKXSAKSA-N 1 0 300.446 4.116 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2nccn2C)c2ccccc2)C1 ZINC000651725222 1047325240 /nfs/dbraw/zinc/32/52/40/1047325240.db2.gz WVAMGOIIHHZNJI-QRQLOZEOSA-N 1 0 309.457 4.038 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000398072203 1047326653 /nfs/dbraw/zinc/32/66/53/1047326653.db2.gz AITMZSDMRUEJJQ-JKSUJKDBSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398130345 1047326725 /nfs/dbraw/zinc/32/67/25/1047326725.db2.gz VJTMEKPMISULJT-GVDBMIGSSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000398185298 1047328156 /nfs/dbraw/zinc/32/81/56/1047328156.db2.gz UWFUGDFPLORGKH-IUODEOHRSA-N 1 0 301.352 4.073 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651793135 1047329618 /nfs/dbraw/zinc/32/96/18/1047329618.db2.gz ZXOKFPYYBBODFB-LRQRDZAKSA-N 1 0 322.452 4.380 20 30 DIEDRO Cc1scc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1C ZINC000399813270 1047330170 /nfs/dbraw/zinc/33/01/70/1047330170.db2.gz KZCQGTXNLFHPGA-ZDUSSCGKSA-N 1 0 300.427 4.118 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(N2CCCCC2)c(F)c1 ZINC000840787435 1047332519 /nfs/dbraw/zinc/33/25/19/1047332519.db2.gz YADLTDVKVDGHAY-HNNXBMFYSA-N 1 0 317.452 4.406 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)CCOC)cc1 ZINC000840836204 1047340758 /nfs/dbraw/zinc/34/07/58/1047340758.db2.gz GAHPUUQOTZCWTG-ZFWWWQNUSA-N 1 0 311.853 4.141 20 30 DIEDRO C=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000612178498 1047360353 /nfs/dbraw/zinc/36/03/53/1047360353.db2.gz LXKWNNQHGZZLEL-UHFFFAOYSA-N 1 0 302.761 4.051 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)CC(F)(F)F ZINC000840960428 1047365582 /nfs/dbraw/zinc/36/55/82/1047365582.db2.gz LWVOKYCRUZIQMX-CHWSQXEVSA-N 1 0 314.351 4.046 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(OC(F)(F)F)ccc1F ZINC001255636583 1047398740 /nfs/dbraw/zinc/39/87/40/1047398740.db2.gz PXLKVVUGTRAZEK-ZETCQYMHSA-N 1 0 319.220 4.155 20 30 DIEDRO CCCCCCCCCN(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000841305329 1047403226 /nfs/dbraw/zinc/40/32/26/1047403226.db2.gz UCPCQQTUXSKJDE-UHFFFAOYSA-N 1 0 305.466 4.360 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000116926666 1047415478 /nfs/dbraw/zinc/41/54/78/1047415478.db2.gz WJJPKAMPCUCQLZ-CQSZACIVSA-N 1 0 317.454 4.390 20 30 DIEDRO N#CCSCCC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119034772 1047438436 /nfs/dbraw/zinc/43/84/36/1047438436.db2.gz QAXKZCWOESHIAQ-ZWKOTPCHSA-N 1 0 302.487 4.024 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1O ZINC000841750758 1047449870 /nfs/dbraw/zinc/44/98/70/1047449870.db2.gz AUFVJYXYCMXHQA-GTNSWQLSSA-N 1 0 312.800 4.255 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1O ZINC000841761860 1047455240 /nfs/dbraw/zinc/45/52/40/1047455240.db2.gz LWCYZJDDTLPMNV-XIKOKIGWSA-N 1 0 310.372 4.131 20 30 DIEDRO COCc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000537620253 1047460856 /nfs/dbraw/zinc/46/08/56/1047460856.db2.gz POVJLPBPAIFKOF-RTWAWAEBSA-N 1 0 320.436 4.105 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc(Cl)n1 ZINC000841893353 1047462228 /nfs/dbraw/zinc/46/22/28/1047462228.db2.gz DLRFDNVTLDCEBK-KRWDZBQOSA-N 1 0 311.816 4.082 20 30 DIEDRO C=CC[C@H](NC1CCC(c2ccc(Cl)cc2)CC1)C(=O)OC ZINC001168335792 1047487603 /nfs/dbraw/zinc/48/76/03/1047487603.db2.gz PSSZSJSQPNWIOH-PREGVCBESA-N 1 0 321.848 4.074 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)C1CC1 ZINC000090044416 1047496964 /nfs/dbraw/zinc/49/69/64/1047496964.db2.gz UWQVZUGYASCLLF-HNNXBMFYSA-N 1 0 313.470 4.082 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000842680075 1047497259 /nfs/dbraw/zinc/49/72/59/1047497259.db2.gz BRDQWAJFULZTAF-OAHLLOKOSA-N 1 0 308.372 4.035 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000842719647 1047499378 /nfs/dbraw/zinc/49/93/78/1047499378.db2.gz IIGUODQSGKXNIR-UHFFFAOYSA-N 1 0 322.380 4.091 20 30 DIEDRO COc1ccc([C@@H](CC(C)C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000842828856 1047507004 /nfs/dbraw/zinc/50/70/04/1047507004.db2.gz JLBSZYQXOLGLHE-HXUWFJFHSA-N 1 0 308.425 4.444 20 30 DIEDRO CC(C)[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1 ZINC001142911802 1047513610 /nfs/dbraw/zinc/51/36/10/1047513610.db2.gz KGCZZWQJVCFZRK-UHFFFAOYSA-N 1 0 303.409 4.450 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922798 1047514659 /nfs/dbraw/zinc/51/46/59/1047514659.db2.gz WIYBESYVCTXUHJ-AWEZNQCLSA-N 1 0 319.408 4.241 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccc(OC)cc1 ZINC001142925771 1047515224 /nfs/dbraw/zinc/51/52/24/1047515224.db2.gz CNVVZZLWDQJQNK-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO N#Cc1ccc2c(C[NH+]3CCC4(CC[C@@H](F)C4)CC3)c[nH]c2c1 ZINC001142922878 1047515294 /nfs/dbraw/zinc/51/52/94/1047515294.db2.gz ZKUUWMKKJDKPOA-MRXNPFEDSA-N 1 0 311.404 4.144 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1nccnc1-c1ccc(Cl)cc1 ZINC001142977260 1047521072 /nfs/dbraw/zinc/52/10/72/1047521072.db2.gz TWBJMWASROBXEL-UHFFFAOYSA-N 1 0 301.821 4.195 20 30 DIEDRO N#CCSCCC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091840808 1047522890 /nfs/dbraw/zinc/52/28/90/1047522890.db2.gz DRNIHUUPLCGUOA-UHFFFAOYSA-N 1 0 306.862 4.076 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cnc2ccc(Cl)nn12 ZINC001142990697 1047522905 /nfs/dbraw/zinc/52/29/05/1047522905.db2.gz CLQIVIWDGRXZQU-UHFFFAOYSA-N 1 0 308.857 4.175 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000121871168 1047528123 /nfs/dbraw/zinc/52/81/23/1047528123.db2.gz SKWUZTCHFVPSEP-ZDUSSCGKSA-N 1 0 303.352 4.380 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788690 1047539009 /nfs/dbraw/zinc/53/90/09/1047539009.db2.gz JRKSNYKCZKWIOF-INIZCTEOSA-N 1 0 314.454 4.088 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)ccc1C#N ZINC001203135955 1047545843 /nfs/dbraw/zinc/54/58/43/1047545843.db2.gz HWNBUIBQHSEIMF-ROUUACIJSA-N 1 0 312.457 4.083 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)ccc1C#N ZINC001203135953 1047545867 /nfs/dbraw/zinc/54/58/67/1047545867.db2.gz HWNBUIBQHSEIMF-MSOLQXFVSA-N 1 0 312.457 4.083 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)ccc1C#N ZINC001203135957 1047545906 /nfs/dbraw/zinc/54/59/06/1047545906.db2.gz HWNBUIBQHSEIMF-ZWKOTPCHSA-N 1 0 312.457 4.083 20 30 DIEDRO N#CCCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000060569123 1047546213 /nfs/dbraw/zinc/54/62/13/1047546213.db2.gz ULDFXLAJEJAKGX-UHFFFAOYSA-N 1 0 307.372 4.003 20 30 DIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)CC(C)(C)CCC#N)CCC2 ZINC000093768090 1047550934 /nfs/dbraw/zinc/55/09/34/1047550934.db2.gz WJXZLAYVUFDODH-CQSZACIVSA-N 1 0 305.491 4.345 20 30 DIEDRO CC(C)[C@@H]1[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC12CC=CC2 ZINC000843432544 1047551925 /nfs/dbraw/zinc/55/19/25/1047551925.db2.gz YFPHAAMBIHNUMV-APWZRJJASA-N 1 0 310.441 4.154 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001149204839 1047557528 /nfs/dbraw/zinc/55/75/28/1047557528.db2.gz IJOIOFCDXFVECA-KSZLIROESA-N 1 0 322.537 4.362 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000237815475 1047595417 /nfs/dbraw/zinc/59/54/17/1047595417.db2.gz FSUOXRLECYYJQA-IPCDKGFNSA-N 1 0 320.461 4.437 20 30 DIEDRO Clc1cccc(C#CC[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000537841525 1047640166 /nfs/dbraw/zinc/64/01/66/1047640166.db2.gz NAVOSAFWHGOCKE-UHFFFAOYSA-N 1 0 324.855 4.041 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)cc1C#N ZINC000926960169 1047642183 /nfs/dbraw/zinc/64/21/83/1047642183.db2.gz FHQGBMQMEPZKKE-GFCCVEGCSA-N 1 0 319.330 4.131 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCc2ccccc21 ZINC000537973570 1047651648 /nfs/dbraw/zinc/65/16/48/1047651648.db2.gz PYQJHVRKOLGKIO-LJQANCHMSA-N 1 0 308.450 4.069 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+]CCCC(C)(C)C#N)cc1 ZINC000538204434 1047661775 /nfs/dbraw/zinc/66/17/75/1047661775.db2.gz GDHPGWIRPHRYBN-HNNXBMFYSA-N 1 0 320.502 4.406 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000538193614 1047662588 /nfs/dbraw/zinc/66/25/88/1047662588.db2.gz DAJZRCKNXGEFLR-KBPBESRZSA-N 1 0 319.445 4.389 20 30 DIEDRO CCCOc1cccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000538406300 1047672162 /nfs/dbraw/zinc/67/21/62/1047672162.db2.gz YABCILQCHVFZSS-INIZCTEOSA-N 1 0 308.425 4.240 20 30 DIEDRO CC(C)c1ccccc1OCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000538405746 1047673331 /nfs/dbraw/zinc/67/33/31/1047673331.db2.gz DCYFECPLDCAZTC-MRXNPFEDSA-N 1 0 308.425 4.411 20 30 DIEDRO CCO[C@@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000538394866 1047673857 /nfs/dbraw/zinc/67/38/57/1047673857.db2.gz AIKIQIYVPFSYMT-KXBFYZLASA-N 1 0 300.446 4.194 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc(C#N)c3ccccc3n2)c1 ZINC001155347593 1047677813 /nfs/dbraw/zinc/67/78/13/1047677813.db2.gz GJMGWEIZGHBAAG-ZDUSSCGKSA-N 1 0 312.376 4.070 20 30 DIEDRO COc1ccc(C[N@H+](CCC(C)(C)C#N)[C@H](C)C2CC2)cc1 ZINC000538466872 1047680399 /nfs/dbraw/zinc/68/03/99/1047680399.db2.gz RNQNQYHGZZCYAY-OAHLLOKOSA-N 1 0 300.446 4.236 20 30 DIEDRO C[C@H]1CO[C@H](c2ccccc2Cl)CN1CCC(C)(C)C#N ZINC000538465308 1047680455 /nfs/dbraw/zinc/68/04/55/1047680455.db2.gz SZXTZYQXMWMQHX-BBRMVZONSA-N 1 0 306.837 4.042 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000538511414 1047684860 /nfs/dbraw/zinc/68/48/60/1047684860.db2.gz JLOGOSAUCCBXOF-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO O=C1C=C(Nc2[nH+]ccc3c2ccn3Cc2ccccc2)CCC1 ZINC001155709808 1047687673 /nfs/dbraw/zinc/68/76/73/1047687673.db2.gz BZHRXKJUPWCKJJ-UHFFFAOYSA-N 1 0 317.392 4.133 20 30 DIEDRO Cc1ccccc1OCCCNc1nccc2ccc(C#N)cc21 ZINC001156034888 1047697321 /nfs/dbraw/zinc/69/73/21/1047697321.db2.gz YMVNUZALEMGGTI-UHFFFAOYSA-N 1 0 317.392 4.296 20 30 DIEDRO CC1CCC([N@@H+](Cc2ccc(C#N)s2)C[C@@H]2CCCO2)CC1 ZINC000538735105 1047703932 /nfs/dbraw/zinc/70/39/32/1047703932.db2.gz XHGUUEKAZCUQDC-GPANFISMSA-N 1 0 318.486 4.179 20 30 DIEDRO C=CC[N@@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000538953433 1047720889 /nfs/dbraw/zinc/72/08/89/1047720889.db2.gz ITHDPJXULKBCOB-UHFFFAOYSA-N 1 0 313.832 4.256 20 30 DIEDRO C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000667195070 1047732517 /nfs/dbraw/zinc/73/25/17/1047732517.db2.gz MUPKKVZVUVKDLX-QGZVFWFLSA-N 1 0 315.461 4.102 20 30 DIEDRO N#C[C@H]1CC[C@H](Nc2[nH+]c(N3CCCC3)cc3ccccc32)CC1 ZINC001157055172 1047733541 /nfs/dbraw/zinc/73/35/41/1047733541.db2.gz OMDYSLWGFFCXJN-JCNLHEQBSA-N 1 0 320.440 4.329 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccccc2C)c1 ZINC001157686399 1047749792 /nfs/dbraw/zinc/74/97/92/1047749792.db2.gz MLGDQVWQZKDOTG-UHFFFAOYSA-N 1 0 324.424 4.234 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCS1 ZINC000927034835 1047763916 /nfs/dbraw/zinc/76/39/16/1047763916.db2.gz YNHQWKAKHMPOBV-ZTRSQXPZSA-N 1 0 314.498 4.264 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000927041524 1047771998 /nfs/dbraw/zinc/77/19/98/1047771998.db2.gz ZKUQDCVIKABWMC-IRXDYDNUSA-N 1 0 300.471 4.417 20 30 DIEDRO CC1(C)C[C@H](Nc2nccc3ccc(C#N)cc32)C[C@](C)(C[NH3+])C1 ZINC001158268747 1047773136 /nfs/dbraw/zinc/77/31/36/1047773136.db2.gz QUWHKDRBQLEXDX-JXFKEZNVSA-N 1 0 322.456 4.062 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC001158609991 1047791780 /nfs/dbraw/zinc/79/17/80/1047791780.db2.gz LOKSIXAQIBCLFX-KRWDZBQOSA-N 1 0 312.457 4.313 20 30 DIEDRO Cc1c(Cl)ccc(Nc2sc3c(c2C#N)CC[NH2+]C3)c1F ZINC001159158173 1047817097 /nfs/dbraw/zinc/81/70/97/1047817097.db2.gz XHRJAKCMCWQCOK-UHFFFAOYSA-N 1 0 321.808 4.110 20 30 DIEDRO CC(C)(C)n1cc(C#N)cc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159167041 1047817318 /nfs/dbraw/zinc/81/73/18/1047817318.db2.gz HSYBWWMLQZNSOY-UHFFFAOYSA-N 1 0 322.456 4.325 20 30 DIEDRO CSc1ccc(Nc2sc3c(c2C#N)CC[NH2+]C3)c(C)c1 ZINC001159157158 1047817429 /nfs/dbraw/zinc/81/74/29/1047817429.db2.gz BTCMPTXITDXVPG-UHFFFAOYSA-N 1 0 315.467 4.039 20 30 DIEDRO N#Cc1c2ccc(Cl)cc2sc1N=CC1CC[NH2+]CC1 ZINC001159216716 1047822083 /nfs/dbraw/zinc/82/20/83/1047822083.db2.gz LDYCEJNFLYJXHT-UHFFFAOYSA-N 1 0 303.818 4.106 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479068835 1047833707 /nfs/dbraw/zinc/83/37/07/1047833707.db2.gz OXOTXTIOOZSXHP-IBGZPJMESA-N 1 0 322.443 4.292 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(NCC#Cc2ccccc2)nc1 ZINC001159377013 1047836974 /nfs/dbraw/zinc/83/69/74/1047836974.db2.gz FKGLMXLBDYQWQV-FQEVSTJZSA-N 1 0 319.452 4.092 20 30 DIEDRO Cc1ccc(Nc2cnccc2[C@H]2C[C@H]([NH3+])C[C@@H](C)C2)c(C#N)c1 ZINC001159391072 1047838897 /nfs/dbraw/zinc/83/88/97/1047838897.db2.gz PWTCTTMJFSEXIF-ZMSDIMECSA-N 1 0 320.440 4.236 20 30 DIEDRO Cc1ccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)cc1C#N ZINC001159387710 1047839146 /nfs/dbraw/zinc/83/91/46/1047839146.db2.gz UMVHKBPCDNADLZ-FRFSOERESA-N 1 0 320.440 4.236 20 30 DIEDRO Cc1cc(C#N)cc(Nc2cnccc2[C@H]2C[C@H]([NH3+])C[C@@H](C)C2)c1 ZINC001159391020 1047839288 /nfs/dbraw/zinc/83/92/88/1047839288.db2.gz PEZZTBAZXSTDRE-USXIJHARSA-N 1 0 320.440 4.236 20 30 DIEDRO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(F)cc2C#N)C1 ZINC001159391477 1047839796 /nfs/dbraw/zinc/83/97/96/1047839796.db2.gz RHHNVHNZKDNNNT-XEZPLFJOSA-N 1 0 324.403 4.067 20 30 DIEDRO Cc1cc(Cl)nc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1C#N ZINC001159395284 1047840116 /nfs/dbraw/zinc/84/01/16/1047840116.db2.gz FNSMJSDWTMFQTK-OAHLLOKOSA-N 1 0 312.804 4.083 20 30 DIEDRO N#Cc1ccc(-c2ccc(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC001159431611 1047844931 /nfs/dbraw/zinc/84/49/31/1047844931.db2.gz WMFGAOSIYOTGPY-MOPGFXCFSA-N 1 0 301.393 4.045 20 30 DIEDRO N#Cc1cc(Nc2c(C#N)ccc3ccccc32)cc(C2C[NH2+]C2)c1 ZINC001159449062 1047846377 /nfs/dbraw/zinc/84/63/77/1047846377.db2.gz FCXYAWCJRLSCJM-UHFFFAOYSA-N 1 0 324.387 4.014 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C#N)c2)cc1C ZINC001197622462 1047848951 /nfs/dbraw/zinc/84/89/51/1047848951.db2.gz WCBUBSQYBFEGCE-ZDUSSCGKSA-N 1 0 314.816 4.380 20 30 DIEDRO N#Cc1cc(Cl)cc(Cl)c1Nc1cccc2c1CC[NH2+]C2 ZINC001159516558 1047860740 /nfs/dbraw/zinc/86/07/40/1047860740.db2.gz VWZFGVSEEVWXBW-UHFFFAOYSA-N 1 0 318.207 4.254 20 30 DIEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC001182917713 1047861493 /nfs/dbraw/zinc/86/14/93/1047861493.db2.gz ABELHXJLFHZFNZ-FUHWJXTLSA-N 1 0 307.865 4.234 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H]1CCO[C@H](CC)C1)c1ccc(F)c(F)c1 ZINC000479404800 1047877615 /nfs/dbraw/zinc/87/76/15/1047877615.db2.gz BCFOZOKSVUUXLS-JOQOYGCGSA-N 1 0 309.400 4.377 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(C(=O)OC)cc1F ZINC001183053534 1047884229 /nfs/dbraw/zinc/88/42/29/1047884229.db2.gz NIVOBTHIDHVBPO-AWEZNQCLSA-N 1 0 307.409 4.227 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cnc(Br)cn1 ZINC001183346292 1047921791 /nfs/dbraw/zinc/92/17/91/1047921791.db2.gz VZIYAMYJMSEPPI-GFCCVEGCSA-N 1 0 314.271 4.078 20 30 DIEDRO CCc1cc(Cl)ccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159713572 1047906550 /nfs/dbraw/zinc/90/65/50/1047906550.db2.gz SPBWZWSHQYNJLR-UHFFFAOYSA-N 1 0 311.816 4.204 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000479596194 1047942531 /nfs/dbraw/zinc/94/25/31/1047942531.db2.gz XSSXRDZWQHUANJ-ZETCQYMHSA-N 1 0 303.221 4.133 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001183255842 1047911664 /nfs/dbraw/zinc/91/16/64/1047911664.db2.gz GFEZWHDKGBOAFB-UHFFFAOYSA-N 1 0 301.430 4.029 20 30 DIEDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC001198010277 1047914446 /nfs/dbraw/zinc/91/44/46/1047914446.db2.gz HXTWMKCPCUQECR-FXAWDEMLSA-N 1 0 320.436 4.205 20 30 DIEDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC001198010279 1047914626 /nfs/dbraw/zinc/91/46/26/1047914626.db2.gz HXTWMKCPCUQECR-XLIONFOSSA-N 1 0 320.436 4.205 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000774618227 1047916872 /nfs/dbraw/zinc/91/68/72/1047916872.db2.gz LVVNEFZQRFYVDX-BEFAXECRSA-N 1 0 305.437 4.316 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3cc(F)cc(C#N)c3)CC2)C1 ZINC001183323981 1047916940 /nfs/dbraw/zinc/91/69/40/1047916940.db2.gz IXZMHNKCPONGOY-IFXJQAMLSA-N 1 0 315.436 4.152 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@H+](CCc2ccccc2)C2CC2)c1 ZINC001198061219 1047919916 /nfs/dbraw/zinc/91/99/16/1047919916.db2.gz PCCDUKQWMXYFCV-UHFFFAOYSA-N 1 0 310.828 4.419 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000479576356 1047933977 /nfs/dbraw/zinc/93/39/77/1047933977.db2.gz HCJZXHGOMNEZNU-ZETCQYMHSA-N 1 0 303.221 4.133 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001198195312 1047935907 /nfs/dbraw/zinc/93/59/07/1047935907.db2.gz UZSLSZFPLWURKG-MRXNPFEDSA-N 1 0 322.493 4.112 20 30 DIEDRO C=C(C)C[N@@H+]1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001198195205 1047936424 /nfs/dbraw/zinc/93/64/24/1047936424.db2.gz SYKANFVEISURNY-INIZCTEOSA-N 1 0 322.493 4.112 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@H](C)c1ccc(CC(C)C)cc1 ZINC001183510021 1047939043 /nfs/dbraw/zinc/93/90/43/1047939043.db2.gz BTVBHDJQCHRPIQ-ABSDTBQOSA-N 1 0 303.490 4.294 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775835000 1047941713 /nfs/dbraw/zinc/94/17/13/1047941713.db2.gz XVOPLRHPMIHKHL-HNNXBMFYSA-N 1 0 312.844 4.108 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)C(F)(F)F)cc1Cl ZINC000479596669 1047942744 /nfs/dbraw/zinc/94/27/44/1047942744.db2.gz ZNFHBJNTHAAANC-SNVBAGLBSA-N 1 0 307.743 4.193 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC001198269614 1047943394 /nfs/dbraw/zinc/94/33/94/1047943394.db2.gz BFIKZIHOLPWDQD-IWGBCORSSA-N 1 0 302.421 4.279 20 30 DIEDRO C=C(C)C[NH2+][C@]1(C)CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001198269761 1047944083 /nfs/dbraw/zinc/94/40/83/1047944083.db2.gz FDVDZQWVNBLRFK-FCHUYYIVSA-N 1 0 320.480 4.210 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC001183606490 1047944569 /nfs/dbraw/zinc/94/45/69/1047944569.db2.gz KGBJWLDKHQTPQU-MSOLQXFVSA-N 1 0 300.446 4.213 20 30 DIEDRO N#Cc1ccc(Oc2ccc(NC=C3CC[NH2+]CC3)cc2)cc1 ZINC001159920519 1047951526 /nfs/dbraw/zinc/95/15/26/1047951526.db2.gz HTPFZWKLNWOJCA-UHFFFAOYSA-N 1 0 305.381 4.030 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(OC)ccc1Br ZINC001198414257 1047953049 /nfs/dbraw/zinc/95/30/49/1047953049.db2.gz JOKMRSJSDKKFTC-CQSZACIVSA-N 1 0 324.262 4.388 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001183673345 1047955415 /nfs/dbraw/zinc/95/54/15/1047955415.db2.gz QIANJVAPYVBBEA-HNNXBMFYSA-N 1 0 304.434 4.498 20 30 DIEDRO CC[N@H+](Cc1c(C)cc(C)nc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000553862745 1047956548 /nfs/dbraw/zinc/95/65/48/1047956548.db2.gz GKDUTUQXCPHDFU-INIZCTEOSA-N 1 0 323.440 4.162 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001174771160 1047965402 /nfs/dbraw/zinc/96/54/02/1047965402.db2.gz NPIWMBWBFQYPJZ-YSGRDPCXSA-N 1 0 320.436 4.350 20 30 DIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1cccc(C#N)c1 ZINC001183802785 1047968870 /nfs/dbraw/zinc/96/88/70/1047968870.db2.gz XPAYCJQZSFQSFX-CWFSZBLJSA-N 1 0 320.436 4.455 20 30 DIEDRO Cc1cc(C#N)ccc1Nc1ccc(CC2CC[NH2+]CC2)cc1 ZINC001160014645 1047970101 /nfs/dbraw/zinc/97/01/01/1047970101.db2.gz FNXRGFXXLAHUIV-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO N#Cc1ccc(-c2ccccc2NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001160026050 1047972834 /nfs/dbraw/zinc/97/28/34/1047972834.db2.gz PXTWPDVXIKXIGO-SJORKVTESA-N 1 0 301.393 4.045 20 30 DIEDRO C[C@H](Cc1ccccc1)[N@H+](CCOCCC#N)Cc1ccccc1 ZINC001174758129 1047978852 /nfs/dbraw/zinc/97/88/52/1047978852.db2.gz ANIHLGSHFNTMSG-LJQANCHMSA-N 1 0 322.452 4.050 20 30 DIEDRO C[C@@H](Cc1ccccc1)[N@H+](CCOCCC#N)Cc1ccccc1 ZINC001174758128 1047978951 /nfs/dbraw/zinc/97/89/51/1047978951.db2.gz ANIHLGSHFNTMSG-IBGZPJMESA-N 1 0 322.452 4.050 20 30 DIEDRO CN(C)c1ccc(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000775879692 1047983461 /nfs/dbraw/zinc/98/34/61/1047983461.db2.gz BCPINOSLRFWQTO-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO C=C(CC)C[N@@H+](CCC)C1CCN(Cc2ccccc2)CC1 ZINC001198632459 1047988016 /nfs/dbraw/zinc/98/80/16/1047988016.db2.gz DLDYWNZTGQKLIU-UHFFFAOYSA-N 1 0 300.490 4.329 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC001184023866 1047989851 /nfs/dbraw/zinc/98/98/51/1047989851.db2.gz SCWQTMMZMMXVPB-MSOLQXFVSA-N 1 0 305.425 4.159 20 30 DIEDRO CC[C@@H](C[N@H+](CC)C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775886994 1047992227 /nfs/dbraw/zinc/99/22/27/1047992227.db2.gz UDRDPPFATCOVRH-RXVVDRJESA-N 1 0 322.452 4.107 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160218174 1048000543 /nfs/dbraw/zinc/00/05/43/1048000543.db2.gz QYWGSTPLCTVHMU-LJQANCHMSA-N 1 0 321.424 4.050 20 30 DIEDRO CC(C)(C#N)CC[NH2+]C(C)(C)c1ccccc1Br ZINC000554084582 1048005125 /nfs/dbraw/zinc/00/51/25/1048005125.db2.gz JDAONYRIEHNHSY-UHFFFAOYSA-N 1 0 309.251 4.214 20 30 DIEDRO Cc1cc(C#N)c(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1F ZINC001160247056 1048008573 /nfs/dbraw/zinc/00/85/73/1048008573.db2.gz WZHBWPXOQPGIAN-UHFFFAOYSA-N 1 0 309.388 4.216 20 30 DIEDRO N#Cc1ccc(Oc2cccc(NC3=CCC[NH2+]CC3)c2)cc1 ZINC001160250900 1048009930 /nfs/dbraw/zinc/00/99/30/1048009930.db2.gz PTKZWRISDCTFAP-UHFFFAOYSA-N 1 0 305.381 4.030 20 30 DIEDRO Cc1c(C#N)cccc1Nc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC001160266945 1048017430 /nfs/dbraw/zinc/01/74/30/1048017430.db2.gz WCNMTTOXWRPRMC-KRWDZBQOSA-N 1 0 305.425 4.152 20 30 DIEDRO CC(C)c1ccc(CC[NH2+]Cc2cc(C#N)ccc2N(C)C)cc1 ZINC001199001438 1048026175 /nfs/dbraw/zinc/02/61/75/1048026175.db2.gz NUHRAZFWAAIPKX-UHFFFAOYSA-N 1 0 321.468 4.080 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000554185751 1048028945 /nfs/dbraw/zinc/02/89/45/1048028945.db2.gz ZKQJOCFJFVHUSX-UHFFFAOYSA-N 1 0 303.446 4.415 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184326325 1048029573 /nfs/dbraw/zinc/02/95/73/1048029573.db2.gz CYZPJDIYAZYICL-CZUORRHYSA-N 1 0 310.869 4.205 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC001199076902 1048033653 /nfs/dbraw/zinc/03/36/53/1048033653.db2.gz AQHJKIZQDKJPDN-MNOVXSKESA-N 1 0 300.265 4.345 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000773431830 1048039678 /nfs/dbraw/zinc/03/96/78/1048039678.db2.gz TUZDOLNXIPAPAH-HNNXBMFYSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001184428573 1048040280 /nfs/dbraw/zinc/04/02/80/1048040280.db2.gz NJWHAECJOTZUPC-QRFRQXIXSA-N 1 0 315.457 4.394 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554359783 1048077642 /nfs/dbraw/zinc/07/76/42/1048077642.db2.gz RWBWZRSQYKPPGB-DLBZAZTESA-N 1 0 300.446 4.152 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1(C#N)CC1 ZINC000776012081 1048086680 /nfs/dbraw/zinc/08/66/80/1048086680.db2.gz YBUGJZVTPYIQGU-MRXNPFEDSA-N 1 0 306.409 4.259 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1ncc(Cl)c(C)c1C#N)CC(C)C ZINC001184739940 1048088374 /nfs/dbraw/zinc/08/83/74/1048088374.db2.gz JCYDGOFYXBNAFW-AWEZNQCLSA-N 1 0 322.884 4.084 20 30 DIEDRO CCCCC[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000776022508 1048096955 /nfs/dbraw/zinc/09/69/55/1048096955.db2.gz DLLWHZQKXVONKE-ROUUACIJSA-N 1 0 302.462 4.176 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cc1 ZINC001199895418 1048110843 /nfs/dbraw/zinc/11/08/43/1048110843.db2.gz CZRUJXHGPPEFRN-UHFFFAOYSA-N 1 0 308.812 4.135 20 30 DIEDRO CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)c1c(Cl)cccc1Cl ZINC000554486719 1048110915 /nfs/dbraw/zinc/11/09/15/1048110915.db2.gz UCZLFYNSZUHDGH-GFCCVEGCSA-N 1 0 324.255 4.304 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001199907819 1048114749 /nfs/dbraw/zinc/11/47/49/1048114749.db2.gz ZMUSVEHFFHZTCM-HOJAQTOUSA-N 1 0 313.485 4.497 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000774816761 1048127100 /nfs/dbraw/zinc/12/71/00/1048127100.db2.gz UWPXMJPLDRCDIT-HXUWFJFHSA-N 1 0 324.424 4.077 20 30 DIEDRO CC1(C)CCC[C@@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000554558716 1048129943 /nfs/dbraw/zinc/12/99/43/1048129943.db2.gz OTYDNOTUBLLYLV-QGZVFWFLSA-N 1 0 311.473 4.155 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@@H+](C2CC2)C[C@H]1C ZINC001161493758 1048134383 /nfs/dbraw/zinc/13/43/83/1048134383.db2.gz HKVHWLJCMDNIHX-ZWKOTPCHSA-N 1 0 322.537 4.458 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000774845680 1048153989 /nfs/dbraw/zinc/15/39/89/1048153989.db2.gz CXEMRVJYIRYWFP-KRWDZBQOSA-N 1 0 314.816 4.483 20 30 DIEDRO CC(C)C1=[NH+]CCc2ccc(N[C@H](C#N)c3ccccc3)cc21 ZINC001161721412 1048160189 /nfs/dbraw/zinc/16/01/89/1048160189.db2.gz MMPPYNZBWIULBR-LJQANCHMSA-N 1 0 303.409 4.365 20 30 DIEDRO CC(C)C1=[NH+]CCc2ccc(N[C@@H](C#N)c3ccccc3)cc21 ZINC001161721409 1048160604 /nfs/dbraw/zinc/16/06/04/1048160604.db2.gz MMPPYNZBWIULBR-IBGZPJMESA-N 1 0 303.409 4.365 20 30 DIEDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000480527309 1048172069 /nfs/dbraw/zinc/17/20/69/1048172069.db2.gz OUKIDOYWVFGYAL-CVEARBPZSA-N 1 0 308.878 4.318 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)c1ccc(C#N)cc1 ZINC000554842655 1048200041 /nfs/dbraw/zinc/20/00/41/1048200041.db2.gz ISTJVDYCNRONJB-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000480667942 1048210742 /nfs/dbraw/zinc/21/07/42/1048210742.db2.gz SANWPAJLRNOOGF-SCLBCKFNSA-N 1 0 309.400 4.377 20 30 DIEDRO C/C(=N\O)c1ccc(N(CC[NH3+])c2cccc3ccccc32)cc1 ZINC001162009482 1048213627 /nfs/dbraw/zinc/21/36/27/1048213627.db2.gz XSTZTXDOLHNSGV-PXLXIMEGSA-N 1 0 319.408 4.135 20 30 DIEDRO Cc1ccc(CCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000776154075 1048236638 /nfs/dbraw/zinc/23/66/38/1048236638.db2.gz NKHHWXOWSMFSGH-SFHVURJKSA-N 1 0 322.452 4.489 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@@H](OCC)C12CCCCC2)c1ccncc1 ZINC000776155458 1048237952 /nfs/dbraw/zinc/23/79/52/1048237952.db2.gz GMKLPEVXGAYUKO-GBESFXJTSA-N 1 0 314.473 4.416 20 30 DIEDRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000776155626 1048238483 /nfs/dbraw/zinc/23/84/83/1048238483.db2.gz GCAMYCACMDLCLV-RYQLBKOJSA-N 1 0 300.446 4.454 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cc(Cl)ccc3F)sc2C1 ZINC001175299924 1048238939 /nfs/dbraw/zinc/23/89/39/1048238939.db2.gz XMUXDSBIWDHFNU-UHFFFAOYSA-N 1 0 321.808 4.144 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@@H](OCCCC)C1(C)C)c1ccncc1 ZINC000776157150 1048243726 /nfs/dbraw/zinc/24/37/26/1048243726.db2.gz OJFNJXFUQPEWOA-OKZBNKHCSA-N 1 0 302.462 4.272 20 30 DIEDRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000776162271 1048247902 /nfs/dbraw/zinc/24/79/02/1048247902.db2.gz DZNNFZBONYVLSZ-PXNSSMCTSA-N 1 0 319.452 4.186 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(C(F)(F)F)cc2C#N)c1 ZINC001201399218 1048250134 /nfs/dbraw/zinc/25/01/34/1048250134.db2.gz ANHJPSQYBBBFJD-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2c(C#N)cccc2C(F)(F)F)c1 ZINC001201400190 1048250433 /nfs/dbraw/zinc/25/04/33/1048250433.db2.gz RTXJXCBBHIRHCD-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776163497 1048251352 /nfs/dbraw/zinc/25/13/52/1048251352.db2.gz CAFYEZFHABJKRZ-QEEYODRMSA-N 1 0 306.409 4.173 20 30 DIEDRO C#CCCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC001201408005 1048253269 /nfs/dbraw/zinc/25/32/69/1048253269.db2.gz OZQGXUJZTAVCPE-UHFFFAOYSA-N 1 0 307.437 4.467 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001186070250 1048259264 /nfs/dbraw/zinc/25/92/64/1048259264.db2.gz NSTRACFOINBILD-GJZGRUSLSA-N 1 0 315.436 4.071 20 30 DIEDRO C=CCCCC(=O)N(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000480866554 1048260301 /nfs/dbraw/zinc/26/03/01/1048260301.db2.gz AQQPJMIQCIPKOQ-UHFFFAOYSA-N 1 0 308.510 4.281 20 30 DIEDRO Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776165459 1048261175 /nfs/dbraw/zinc/26/11/75/1048261175.db2.gz QZJQSUVKCGCMAJ-QZTJIDSGSA-N 1 0 322.452 4.488 20 30 DIEDRO CC(C)[PH+](CCNc1nc(Cl)c(C#N)cc1C#N)C(C)C ZINC001162359079 1048268371 /nfs/dbraw/zinc/26/83/71/1048268371.db2.gz VXXTVJZDODEOLS-UHFFFAOYSA-N 1 0 322.780 4.189 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2CC[C@](C)(O)CC2)cc1 ZINC001162360363 1048268419 /nfs/dbraw/zinc/26/84/19/1048268419.db2.gz JWVBONDDELQYKK-UFYCRDLUSA-N 1 0 314.473 4.115 20 30 DIEDRO CC(C)[PH+](CCNc1nc2c(cc1C#N)CCC2)C(C)C ZINC001162361998 1048270030 /nfs/dbraw/zinc/27/00/30/1048270030.db2.gz PEZDOIACYJEYRH-UHFFFAOYSA-N 1 0 303.390 4.153 20 30 DIEDRO CC(C)[PH+](CCNc1[nH]ccc2ncc(C#N)c1-2)C(C)C ZINC001162361869 1048270096 /nfs/dbraw/zinc/27/00/96/1048270096.db2.gz IPLKMNAFSLUROR-UHFFFAOYSA-N 1 0 302.362 4.145 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774988333 1048272996 /nfs/dbraw/zinc/27/29/96/1048272996.db2.gz DYFIZSWZEPZGHT-SECBINFHSA-N 1 0 311.248 4.113 20 30 DIEDRO C#CCCCNc1cc(Br)ccc1C[NH+](CC)CC ZINC001162446294 1048280487 /nfs/dbraw/zinc/28/04/87/1048280487.db2.gz AQLUQDRLASMVPT-UHFFFAOYSA-N 1 0 323.278 4.116 20 30 DIEDRO N#Cc1sccc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201475170 1048293173 /nfs/dbraw/zinc/29/31/73/1048293173.db2.gz QPZCUHOSJMEQFQ-SJORKVTESA-N 1 0 321.449 4.352 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(Br)c1 ZINC000481054847 1048302138 /nfs/dbraw/zinc/30/21/38/1048302138.db2.gz KPWFHCXVZGBCSM-CJNGLKHVSA-N 1 0 319.246 4.085 20 30 DIEDRO CC[C@H](C)C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001201516879 1048307190 /nfs/dbraw/zinc/30/71/90/1048307190.db2.gz FQLJDYNVTJFRLQ-KRWDZBQOSA-N 1 0 317.436 4.478 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccccc1 ZINC001201556858 1048309318 /nfs/dbraw/zinc/30/93/18/1048309318.db2.gz BJULMKNCSVZXRN-MRXNPFEDSA-N 1 0 308.381 4.331 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H](CC)CCCC)CC2 ZINC001201564544 1048319559 /nfs/dbraw/zinc/31/95/59/1048319559.db2.gz BSOUXBBGMRFVCF-ICSRJNTNSA-N 1 0 320.521 4.236 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CC2CCCCC2)cc1 ZINC000775041964 1048327110 /nfs/dbraw/zinc/32/71/10/1048327110.db2.gz WHRMLMDRFJAFME-HOTGVXAUSA-N 1 0 300.446 4.426 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001201630745 1048328477 /nfs/dbraw/zinc/32/84/77/1048328477.db2.gz DVLKHCSNIMGMPW-UHFFFAOYSA-N 1 0 310.482 4.092 20 30 DIEDRO C[C@@H]1C[C@H](Nc2cc(F)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001162679908 1048333237 /nfs/dbraw/zinc/33/32/37/1048333237.db2.gz ATNSRZLAHCLOIY-DNVCBOLYSA-N 1 0 323.415 4.162 20 30 DIEDRO Cc1ccc2c(C3=CC[N@@H+]([C@@H]4CC[C@H](C#N)C4)CC3)c[nH]c2c1 ZINC000555404140 1048337544 /nfs/dbraw/zinc/33/75/44/1048337544.db2.gz BJLAKPQNKDKLDY-DOTOQJQBSA-N 1 0 305.425 4.258 20 30 DIEDRO N#Cc1ccc(O[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC001201671745 1048338500 /nfs/dbraw/zinc/33/85/00/1048338500.db2.gz MONVXSRNCKXJSN-OAQYLSRUSA-N 1 0 320.436 4.034 20 30 DIEDRO N#Cc1ccccc1OC1CC[NH+](CCCc2ccccc2)CC1 ZINC001201672695 1048338531 /nfs/dbraw/zinc/33/85/31/1048338531.db2.gz CDHLZIVWYGFGEJ-UHFFFAOYSA-N 1 0 320.436 4.034 20 30 DIEDRO Cc1cccc(C#N)c1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175506994 1048345961 /nfs/dbraw/zinc/34/59/61/1048345961.db2.gz SCJWIYDGIYETSM-UHFFFAOYSA-N 1 0 303.409 4.068 20 30 DIEDRO CCCC[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001201713701 1048352648 /nfs/dbraw/zinc/35/26/48/1048352648.db2.gz OQRQNHRVBCGORJ-UHFFFAOYSA-N 1 0 321.262 4.106 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1OC ZINC000775080245 1048368907 /nfs/dbraw/zinc/36/89/07/1048368907.db2.gz KCQPUCRIGKSDPS-IBGZPJMESA-N 1 0 324.424 4.077 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001201760455 1048369467 /nfs/dbraw/zinc/36/94/67/1048369467.db2.gz FVMCFXRTQBQZLK-QGZVFWFLSA-N 1 0 313.466 4.112 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001201762737 1048370827 /nfs/dbraw/zinc/37/08/27/1048370827.db2.gz SEIWOGIZFZFYSL-RBUKOAKNSA-N 1 0 309.494 4.007 20 30 DIEDRO CCCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001201804232 1048373850 /nfs/dbraw/zinc/37/38/50/1048373850.db2.gz GBVZGJUUINZXEW-OSYLJGHBSA-N 1 0 324.509 4.049 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001201804711 1048374608 /nfs/dbraw/zinc/37/46/08/1048374608.db2.gz RDCAROUZNZWCOL-UONOGXRCSA-N 1 0 313.379 4.074 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@]2(C[C@@H](CCOC)CO2)C1 ZINC001201813140 1048374798 /nfs/dbraw/zinc/37/47/98/1048374798.db2.gz BETKIHDJKBASRS-MOPGFXCFSA-N 1 0 311.510 4.255 20 30 DIEDRO N#CCc1ccc(C[NH2+]CCc2cccc(C(F)(F)F)c2)cc1 ZINC000600167896 1048378763 /nfs/dbraw/zinc/37/87/63/1048378763.db2.gz SKRNIUDHUAPLIS-UHFFFAOYSA-N 1 0 318.342 4.104 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001201787553 1048379034 /nfs/dbraw/zinc/37/90/34/1048379034.db2.gz DZPXGLYEFZCYGQ-UHFFFAOYSA-N 1 0 309.450 4.115 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001201787918 1048379090 /nfs/dbraw/zinc/37/90/90/1048379090.db2.gz PWILZICTXFVYCX-MRXNPFEDSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCCCC[NH+]1CCC2(CC(=O)N(C(C)C)C2)CC1 ZINC001201852759 1048381508 /nfs/dbraw/zinc/38/15/08/1048381508.db2.gz KDCKLUXBYUAGOZ-UHFFFAOYSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(Oc2cnccn2)CC1 ZINC001201852538 1048382368 /nfs/dbraw/zinc/38/23/68/1048382368.db2.gz CIWQFUUXGHPAKX-UHFFFAOYSA-N 1 0 305.466 4.070 20 30 DIEDRO CCCCCCCC[NH+]1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001201825954 1048383606 /nfs/dbraw/zinc/38/36/06/1048383606.db2.gz JBIBPBRLBYVNJR-UHFFFAOYSA-N 1 0 324.509 4.336 20 30 DIEDRO C[C@@H]1C[NH+](Cc2cccc(OCCCC#N)c2)C[C@@H](C)C1(F)F ZINC000600184211 1048385480 /nfs/dbraw/zinc/38/54/80/1048385480.db2.gz OCXHOVSBEHJJSJ-HUUCEWRRSA-N 1 0 322.399 4.092 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000481372759 1048385877 /nfs/dbraw/zinc/38/58/77/1048385877.db2.gz GAPSOHONYXYALZ-UGSOOPFHSA-N 1 0 314.816 4.077 20 30 DIEDRO CCCCCCCCC[NH+]1CCC2(CCN(C(C)=O)C2)CC1 ZINC001201839056 1048386039 /nfs/dbraw/zinc/38/60/39/1048386039.db2.gz IMUHIVQRRSBDRV-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCCCC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC001201839621 1048387233 /nfs/dbraw/zinc/38/72/33/1048387233.db2.gz OLJGQJLLLXQXKA-ZWKOTPCHSA-N 1 0 316.489 4.018 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC001201839830 1048387943 /nfs/dbraw/zinc/38/79/43/1048387943.db2.gz KSXWRCDBMGEIIB-UHFFFAOYSA-N 1 0 316.489 4.195 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc(Cl)ccc2CC#N)c1 ZINC001162914671 1048388934 /nfs/dbraw/zinc/38/89/34/1048388934.db2.gz WRQPJRGTMSQSPK-GFCCVEGCSA-N 1 0 309.800 4.370 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001187361509 1048392574 /nfs/dbraw/zinc/39/25/74/1048392574.db2.gz LYTPATVBAYMPCN-INIZCTEOSA-N 1 0 315.436 4.215 20 30 DIEDRO CCC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000481398253 1048392827 /nfs/dbraw/zinc/39/28/27/1048392827.db2.gz DFCPPKOWKNUXMY-LJQANCHMSA-N 1 0 305.425 4.243 20 30 DIEDRO C=C(C)CCc1ccccc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163061028 1048411858 /nfs/dbraw/zinc/41/18/58/1048411858.db2.gz QZDRMSVWXRLKDS-GOSISDBHSA-N 1 0 323.484 4.218 20 30 DIEDRO N#CC1(CCCC[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)CCC1 ZINC001175669383 1048412627 /nfs/dbraw/zinc/41/26/27/1048412627.db2.gz NLNYGAXVCVGDQV-IBGZPJMESA-N 1 0 323.484 4.335 20 30 DIEDRO CC(C)(CC[NH2+]Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000555638516 1048413513 /nfs/dbraw/zinc/41/35/13/1048413513.db2.gz YQTRQSXURWJWJT-UHFFFAOYSA-N 1 0 300.446 4.285 20 30 DIEDRO Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000775150439 1048447817 /nfs/dbraw/zinc/44/78/17/1048447817.db2.gz JIRFPGPJCCKQKH-KRWDZBQOSA-N 1 0 308.425 4.226 20 30 DIEDRO C=C[C@@H](COC)[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001202094058 1048449565 /nfs/dbraw/zinc/44/95/65/1048449565.db2.gz ZLTDJXUKGJLCDJ-OSICKASQSA-N 1 0 323.436 4.069 20 30 DIEDRO C=C[C@H](COC)[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001202094059 1048449596 /nfs/dbraw/zinc/44/95/96/1048449596.db2.gz ZLTDJXUKGJLCDJ-ROFLEHJCSA-N 1 0 323.436 4.069 20 30 DIEDRO C=C(Br)C[N@H+]1CC[C@@H](c2cccc(OC)c2)C1(C)C ZINC001175822572 1048465547 /nfs/dbraw/zinc/46/55/47/1048465547.db2.gz XLQSMMUBYFJBNL-HNNXBMFYSA-N 1 0 324.262 4.172 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000776254678 1048466673 /nfs/dbraw/zinc/46/66/73/1048466673.db2.gz KHPZRYXEDWPTQJ-CQSZACIVSA-N 1 0 319.449 4.263 20 30 DIEDRO Cc1cccc(OCCC[NH2+]Cc2c(C)cc(C#N)cc2C)c1C ZINC001202251583 1048490380 /nfs/dbraw/zinc/49/03/80/1048490380.db2.gz SMHQVHBZWCEARY-UHFFFAOYSA-N 1 0 322.452 4.351 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)s1 ZINC000481809423 1048492643 /nfs/dbraw/zinc/49/26/43/1048492643.db2.gz JGFPLRMVSNNWLB-UHFFFAOYSA-N 1 0 320.820 4.390 20 30 DIEDRO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001202241700 1048501543 /nfs/dbraw/zinc/50/15/43/1048501543.db2.gz HSIPFUSMDZADTH-IERDGZPVSA-N 1 0 304.437 4.404 20 30 DIEDRO [NH2+]=C(Nc1cccc2c1CCCO2)c1ccc(C(F)(F)F)cc1 ZINC001163685427 1048502915 /nfs/dbraw/zinc/50/29/15/1048502915.db2.gz NCWWBTVUQNEXIM-UHFFFAOYSA-N 1 0 320.314 4.067 20 30 DIEDRO Cc1ccc(N(C)C)c(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c1 ZINC001163685661 1048503741 /nfs/dbraw/zinc/50/37/41/1048503741.db2.gz QNPOLCWWAMFBTG-UHFFFAOYSA-N 1 0 321.346 4.117 20 30 DIEDRO CCOc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1C ZINC001163684260 1048503843 /nfs/dbraw/zinc/50/38/43/1048503843.db2.gz SZNIJUYGXXXKMH-UHFFFAOYSA-N 1 0 322.330 4.450 20 30 DIEDRO C#Cc1cccc(Nc2ccc(OCC3CC[NH+](C)CC3)cc2)c1 ZINC001175977869 1048513671 /nfs/dbraw/zinc/51/36/71/1048513671.db2.gz BXPAUHXGLUFUDH-UHFFFAOYSA-N 1 0 320.436 4.132 20 30 DIEDRO COc1cc(C[NH2+]C/C=C\c2cc(C)c(C)cc2C)ccc1C#N ZINC001202300176 1048515688 /nfs/dbraw/zinc/51/56/88/1048515688.db2.gz VEWGPVHSXYBZQX-WAYWQWQTSA-N 1 0 320.436 4.295 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)CCCC1 ZINC001202381876 1048540451 /nfs/dbraw/zinc/54/04/51/1048540451.db2.gz QRNZXKNWEWMSLN-HNNXBMFYSA-N 1 0 315.457 4.245 20 30 DIEDRO N#Cc1cc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)cs1 ZINC001202417546 1048546262 /nfs/dbraw/zinc/54/62/62/1048546262.db2.gz LHEJKARLKVDWPB-UHFFFAOYSA-N 1 0 302.830 4.138 20 30 DIEDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ccc(CS)cc1 ZINC001163902390 1048547224 /nfs/dbraw/zinc/54/72/24/1048547224.db2.gz ORVJZVGDJIHLFN-UHFFFAOYSA-N 1 0 302.830 4.172 20 30 DIEDRO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000775203837 1048559892 /nfs/dbraw/zinc/55/98/92/1048559892.db2.gz IHPLDABZOATOSH-ZWKOTPCHSA-N 1 0 322.452 4.349 20 30 DIEDRO CC[N@H+](Cc1ccc(C(=O)OCCC(C)(C)C#N)cc1)C(C)C ZINC000776382072 1048584183 /nfs/dbraw/zinc/58/41/83/1048584183.db2.gz RHYRVILXEQJYPW-UHFFFAOYSA-N 1 0 316.445 4.014 20 30 DIEDRO CC[C@@](C)([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000107717475 1048591413 /nfs/dbraw/zinc/59/14/13/1048591413.db2.gz HBICEXIZCIFVOV-OXQOHEQNSA-N 1 0 308.425 4.392 20 30 DIEDRO N#CCc1cc(Nc2cccc(C[NH+]3CCCC3)c2)ccc1F ZINC001176197664 1048593577 /nfs/dbraw/zinc/59/35/77/1048593577.db2.gz XMRUQQMNCORXMO-UHFFFAOYSA-N 1 0 309.388 4.231 20 30 DIEDRO CC(=O)c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c(C#N)c1 ZINC001176197068 1048594385 /nfs/dbraw/zinc/59/43/85/1048594385.db2.gz AQIGEFCPUIIKQL-UHFFFAOYSA-N 1 0 319.408 4.100 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2ccc(Cl)c(F)c2C#N)cc1 ZINC001176294788 1048621759 /nfs/dbraw/zinc/62/17/59/1048621759.db2.gz DRSNIJNSSIEZEA-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2ccc(C#N)c(Cl)c2F)cc1 ZINC001176292625 1048622096 /nfs/dbraw/zinc/62/20/96/1048622096.db2.gz TXALDDCKYJUOQP-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO CCc1cccc2cc(C[NH2+]Cc3ccc(OC)c(C#N)c3)oc21 ZINC000850221389 1048623781 /nfs/dbraw/zinc/62/37/81/1048623781.db2.gz IUNRCTJBFHABQC-UHFFFAOYSA-N 1 0 320.392 4.165 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000850312202 1048632545 /nfs/dbraw/zinc/63/25/45/1048632545.db2.gz DBKLYNWINIXRBW-AWEZNQCLSA-N 1 0 321.380 4.001 20 30 DIEDRO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237512629 1048639063 /nfs/dbraw/zinc/63/90/63/1048639063.db2.gz ZIBAQSCPMGXCEK-SJORKVTESA-N 1 0 308.425 4.088 20 30 DIEDRO N#C[C@H](S[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001189583317 1048643766 /nfs/dbraw/zinc/64/37/66/1048643766.db2.gz OBNLLONXTMOPCM-MOPGFXCFSA-N 1 0 314.498 4.467 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000850427957 1048654097 /nfs/dbraw/zinc/65/40/97/1048654097.db2.gz IKPBLEXFZNBUDJ-LSDHHAIUSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(C(F)F)nc1)c1ccncc1 ZINC000850434961 1048656854 /nfs/dbraw/zinc/65/68/54/1048656854.db2.gz DZMBSAHRBAYDCO-DOMZBBRYSA-N 1 0 303.356 4.382 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)c1 ZINC000775305112 1048658361 /nfs/dbraw/zinc/65/83/61/1048658361.db2.gz KSDFSIKLGHGHCI-HQRMLTQVSA-N 1 0 312.457 4.450 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)c1 ZINC000850442086 1048658647 /nfs/dbraw/zinc/65/86/47/1048658647.db2.gz AMZCKVNEZXFHOH-GXTWGEPZSA-N 1 0 310.388 4.137 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(C(F)F)nc1)c1ccccc1 ZINC000850448355 1048660701 /nfs/dbraw/zinc/66/07/01/1048660701.db2.gz MZMMTRROIDEBLJ-CZUORRHYSA-N 1 0 300.352 4.434 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000850485859 1048671305 /nfs/dbraw/zinc/67/13/05/1048671305.db2.gz OPECLHRJJKCUCC-KRWDZBQOSA-N 1 0 312.413 4.067 20 30 DIEDRO C[N@@H+]1CCC[C@H](CCNc2cc(CC#N)cc3ccccc32)C1 ZINC001165301078 1048677382 /nfs/dbraw/zinc/67/73/82/1048677382.db2.gz WYOOQYKSAPVCDA-MRXNPFEDSA-N 1 0 307.441 4.050 20 30 DIEDRO C=CC(C)(C)CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001203235189 1048680128 /nfs/dbraw/zinc/68/01/28/1048680128.db2.gz NYNJNNBPWNRVAH-UHFFFAOYSA-N 1 0 324.509 4.262 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)c1cccc(C#N)c1 ZINC000775337391 1048683912 /nfs/dbraw/zinc/68/39/12/1048683912.db2.gz GZDIWYGOHKZETP-JTQLQIEISA-N 1 0 306.196 4.111 20 30 DIEDRO C#CCN(Cc1ncoc1C(C)C)[C@H]1CCCc2ccccc21 ZINC001176452921 1048687672 /nfs/dbraw/zinc/68/76/72/1048687672.db2.gz NFRSORQOFUQQRF-IBGZPJMESA-N 1 0 308.425 4.311 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)c2c1c(F)ccc2O ZINC000850549596 1048689535 /nfs/dbraw/zinc/68/95/35/1048689535.db2.gz HMLUIKUTTUKCCH-OCCSQVGLSA-N 1 0 302.393 4.143 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000482873036 1048694296 /nfs/dbraw/zinc/69/42/96/1048694296.db2.gz VGIJOFZQETVYDI-JLTOFOAXSA-N 1 0 311.400 4.414 20 30 DIEDRO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850572796 1048699837 /nfs/dbraw/zinc/69/98/37/1048699837.db2.gz GTLJDWPFEOYNEN-NBMRYCAZSA-N 1 0 320.864 4.070 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCCc2ccncc2)cc1 ZINC001165585086 1048700163 /nfs/dbraw/zinc/70/01/63/1048700163.db2.gz VNKAZUCNIVMGTL-NRFANRHFSA-N 1 0 321.468 4.449 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnc2ccccc2c1 ZINC000775382929 1048731801 /nfs/dbraw/zinc/73/18/01/1048731801.db2.gz QWKDUIPFHRTCNR-OAQYLSRUSA-N 1 0 313.404 4.274 20 30 DIEDRO CC[N@H+](Cc1c(C)cc(C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001190476135 1048738195 /nfs/dbraw/zinc/73/81/95/1048738195.db2.gz OIASOXXWIVDVPM-KRWDZBQOSA-N 1 0 307.441 4.462 20 30 DIEDRO C=CC[N@@H+](CCc1c(F)cccc1F)Cc1ccc(OC)cc1 ZINC001190456913 1048741815 /nfs/dbraw/zinc/74/18/15/1048741815.db2.gz FBPQNOGJMKKXRT-UHFFFAOYSA-N 1 0 317.379 4.204 20 30 DIEDRO C#CCCC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000775394564 1048750353 /nfs/dbraw/zinc/75/03/53/1048750353.db2.gz RJFWXMYOTDCTTC-ABAIWWIYSA-N 1 0 324.287 4.235 20 30 DIEDRO CO[C@H](C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)c1ccccc1 ZINC001190615951 1048759091 /nfs/dbraw/zinc/75/90/91/1048759091.db2.gz KBERDNSIYPHLMZ-OAQYLSRUSA-N 1 0 322.452 4.404 20 30 DIEDRO CC(C)C[N@H+](CCc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001190616696 1048759768 /nfs/dbraw/zinc/75/97/68/1048759768.db2.gz QDPKUNSXOLWAIL-UHFFFAOYSA-N 1 0 317.436 4.131 20 30 DIEDRO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483259700 1048764817 /nfs/dbraw/zinc/76/48/17/1048764817.db2.gz XUIZHWPRRALITQ-GOSISDBHSA-N 1 0 315.848 4.379 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)C)cc1)c1ccccc1 ZINC000775400189 1048765221 /nfs/dbraw/zinc/76/52/21/1048765221.db2.gz XFSVCXOHOXUCFP-HXUWFJFHSA-N 1 0 321.420 4.106 20 30 DIEDRO CCC[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(F)cc1F ZINC001190606426 1048766464 /nfs/dbraw/zinc/76/64/64/1048766464.db2.gz ZVORTKXVYVRWNR-UHFFFAOYSA-N 1 0 314.379 4.443 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)c1ccccc1 ZINC000775405906 1048771200 /nfs/dbraw/zinc/77/12/00/1048771200.db2.gz YRXWHTYVMPZFNI-LJQANCHMSA-N 1 0 304.368 4.228 20 30 DIEDRO CC[N@H+](CCOCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000338937068 1048775490 /nfs/dbraw/zinc/77/54/90/1048775490.db2.gz TXCWCEHWJASOJX-ZDUSSCGKSA-N 1 0 314.351 4.019 20 30 DIEDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000775408918 1048781212 /nfs/dbraw/zinc/78/12/12/1048781212.db2.gz XQTKQKOBAWKLPC-MGPUTAFESA-N 1 0 306.409 4.002 20 30 DIEDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)cc1C#N ZINC000483357183 1048783106 /nfs/dbraw/zinc/78/31/06/1048783106.db2.gz PBXSUUMRZJSJEH-NJDAHSKKSA-N 1 0 319.452 4.055 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775409237 1048784273 /nfs/dbraw/zinc/78/42/73/1048784273.db2.gz DTGDQSUMSAGWQD-XOBRGWDASA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775409235 1048784418 /nfs/dbraw/zinc/78/44/18/1048784418.db2.gz DTGDQSUMSAGWQD-VBKZILBWSA-N 1 0 308.400 4.296 20 30 DIEDRO C=C(Cl)CN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775412837 1048786555 /nfs/dbraw/zinc/78/65/55/1048786555.db2.gz XXZLZBOMPNAIEE-OAHLLOKOSA-N 1 0 322.880 4.084 20 30 DIEDRO C=CCC[C@H]1CCC[N@@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC001176771952 1048790004 /nfs/dbraw/zinc/79/00/04/1048790004.db2.gz ZAZLAVZUBHPWIU-FQEVSTJZSA-N 1 0 309.457 4.056 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC001176798687 1048793721 /nfs/dbraw/zinc/79/37/21/1048793721.db2.gz WGKAUUHTFSUXNV-CVEARBPZSA-N 1 0 320.502 4.088 20 30 DIEDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000483427541 1048793726 /nfs/dbraw/zinc/79/37/26/1048793726.db2.gz SBPCLVSNBRNACQ-IBGZPJMESA-N 1 0 312.363 4.000 20 30 DIEDRO CC[N@H+](CC1(C#N)CC1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483423473 1048795486 /nfs/dbraw/zinc/79/54/86/1048795486.db2.gz SSJDOLFDUOKSEN-ZDUSSCGKSA-N 1 0 310.363 4.262 20 30 DIEDRO CCS[C@@H]1CCCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001190936448 1048802296 /nfs/dbraw/zinc/80/22/96/1048802296.db2.gz XKDGHUYOBTWKNF-MRXNPFEDSA-N 1 0 307.890 4.299 20 30 DIEDRO C[C@@H]1CC[C@](CO)([NH2+]CCCCC(C)(C)C#N)c2ccccc21 ZINC001176933451 1048803054 /nfs/dbraw/zinc/80/30/54/1048803054.db2.gz XQZFIXYBRWPHSF-OXQOHEQNSA-N 1 0 314.473 4.081 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CCC2(C#N)CCCCC2)c(OC)c1 ZINC001176932379 1048803580 /nfs/dbraw/zinc/80/35/80/1048803580.db2.gz JHBJJEPZBCCYEA-OAHLLOKOSA-N 1 0 316.445 4.219 20 30 DIEDRO CC(C)(C)CCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001190904527 1048804573 /nfs/dbraw/zinc/80/45/73/1048804573.db2.gz OKFZVKOUPAZSIY-UHFFFAOYSA-N 1 0 300.446 4.228 20 30 DIEDRO C=CC[N@@H+](Cc1cc(C(=O)OC)sc1C)CC1CCCCC1 ZINC001190983354 1048811597 /nfs/dbraw/zinc/81/15/97/1048811597.db2.gz BWRKVDVCOMCLQD-UHFFFAOYSA-N 1 0 321.486 4.411 20 30 DIEDRO N#CCc1cc(F)cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001166910541 1048813750 /nfs/dbraw/zinc/81/37/50/1048813750.db2.gz NWARYFIRDNPMQI-FQEVSTJZSA-N 1 0 323.415 4.141 20 30 DIEDRO COc1ccc(CC[N@H+](CC(C)(C)C)CC2(CC#N)CC2)cc1 ZINC001191013074 1048821443 /nfs/dbraw/zinc/82/14/43/1048821443.db2.gz FNXCQQPWJLVZQA-UHFFFAOYSA-N 1 0 314.473 4.280 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000852102500 1048823541 /nfs/dbraw/zinc/82/35/41/1048823541.db2.gz YOADXQBXHUEMOU-IERDGZPVSA-N 1 0 320.436 4.072 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000852099105 1048824498 /nfs/dbraw/zinc/82/44/98/1048824498.db2.gz DTDXWICVLRVYHN-FQEVSTJZSA-N 1 0 314.473 4.263 20 30 DIEDRO CCCCCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC001177127485 1048827507 /nfs/dbraw/zinc/82/75/07/1048827507.db2.gz CBZRVGDYLSSXSN-UHFFFAOYSA-N 1 0 302.506 4.254 20 30 DIEDRO CC(C)CC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001177076747 1048827595 /nfs/dbraw/zinc/82/75/95/1048827595.db2.gz SAVXWMHLWWYLDQ-GFCCVEGCSA-N 1 0 309.251 4.235 20 30 DIEDRO C[C@@H]1SCC[N@H+](CC2CCC(C#N)CC2)[C@H]1c1ccccc1 ZINC001191030867 1048828966 /nfs/dbraw/zinc/82/89/66/1048828966.db2.gz SBTQSPXEOCEOHK-BOMAWHNGSA-N 1 0 314.498 4.495 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(F)c2)o1 ZINC000852302950 1048832488 /nfs/dbraw/zinc/83/24/88/1048832488.db2.gz ITMBOGVMSUYWMC-BBRMVZONSA-N 1 0 315.392 4.100 20 30 DIEDRO CC[C@H](c1ccccc1)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328622 1048832557 /nfs/dbraw/zinc/83/25/57/1048832557.db2.gz JFNUTDAJGALXIE-QUCCMNQESA-N 1 0 305.425 4.090 20 30 DIEDRO CCCCCCCCC[NH2+]Cc1c2c(nn1C)CCSC2 ZINC001177132242 1048836512 /nfs/dbraw/zinc/83/65/12/1048836512.db2.gz DEIJDYIJTQQMNK-UHFFFAOYSA-N 1 0 309.523 4.050 20 30 DIEDRO Cc1cccc(OCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC001177148281 1048837378 /nfs/dbraw/zinc/83/73/78/1048837378.db2.gz BZGNNTUKUFZORW-UHFFFAOYSA-N 1 0 320.436 4.109 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000776590692 1048838427 /nfs/dbraw/zinc/83/84/27/1048838427.db2.gz FGLVPWLMHVDWNR-OALUTQOASA-N 1 0 314.473 4.295 20 30 DIEDRO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000852329287 1048838924 /nfs/dbraw/zinc/83/89/24/1048838924.db2.gz XRHKRNWTMGXYJL-CTNGQTDRSA-N 1 0 317.436 4.016 20 30 DIEDRO CCCCOc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1 ZINC001203156461 1048841307 /nfs/dbraw/zinc/84/13/07/1048841307.db2.gz ZFPTXAZDWKNZBJ-UHFFFAOYSA-N 1 0 300.446 4.429 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCCc2cccnc21 ZINC000483703458 1048842113 /nfs/dbraw/zinc/84/21/13/1048842113.db2.gz XUWLKYWGNFAVBM-LJQANCHMSA-N 1 0 323.415 4.382 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1ccc(C#N)c(F)c1 ZINC000483711754 1048850462 /nfs/dbraw/zinc/85/04/62/1048850462.db2.gz OSUAQTAEWXDKEL-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO CCCCCCCNC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC001191104353 1048850557 /nfs/dbraw/zinc/85/05/57/1048850557.db2.gz AMTZEZFPZLMNHI-UHFFFAOYSA-N 1 0 317.477 4.374 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(SC(=O)N(C)C)cc2)CCCC1 ZINC000852588236 1048851091 /nfs/dbraw/zinc/85/10/91/1048851091.db2.gz RVDQWBVKPUJAOF-UHFFFAOYSA-N 1 0 318.486 4.439 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001203276144 1048854607 /nfs/dbraw/zinc/85/46/07/1048854607.db2.gz ITPJWQQKCOHKKW-DOTOQJQBSA-N 1 0 315.457 4.476 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1CCC2(CC2)CC1 ZINC001203289591 1048857319 /nfs/dbraw/zinc/85/73/19/1048857319.db2.gz QKIGEYTVHUTWTE-UHFFFAOYSA-N 1 0 317.860 4.412 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852730392 1048859226 /nfs/dbraw/zinc/85/92/26/1048859226.db2.gz FCPFZVZXZOWLFQ-IRXDYDNUSA-N 1 0 322.880 4.318 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(C)oc2C)cc1OC ZINC000067506526 1048862230 /nfs/dbraw/zinc/86/22/30/1048862230.db2.gz JZHQNJIADUMHBL-CQSZACIVSA-N 1 0 315.413 4.321 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000852893566 1048864252 /nfs/dbraw/zinc/86/42/52/1048864252.db2.gz OLQSICNMJUOJHH-DLBZAZTESA-N 1 0 308.510 4.164 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2C[C@H](OC(C)(C)C)C2)c(O)c1 ZINC000852998865 1048866757 /nfs/dbraw/zinc/86/67/57/1048866757.db2.gz SNXPFOTUDDBBHJ-CGAUYYNMSA-N 1 0 318.461 4.003 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)ccc1C#N ZINC001203338309 1048872508 /nfs/dbraw/zinc/87/25/08/1048872508.db2.gz CWPDPZIZJUDAPF-HXUWFJFHSA-N 1 0 308.425 4.362 20 30 DIEDRO Clc1ccccc1C#CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001191193628 1048879385 /nfs/dbraw/zinc/87/93/85/1048879385.db2.gz MXLYHKARMQMSBG-SFHVURJKSA-N 1 0 309.840 4.256 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000780729537 1048886064 /nfs/dbraw/zinc/88/60/64/1048886064.db2.gz XUEIWRHMKBZBCJ-YZGWKJHDSA-N 1 0 312.457 4.426 20 30 DIEDRO N#Cc1ccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1F ZINC000483955634 1048886871 /nfs/dbraw/zinc/88/68/71/1048886871.db2.gz DESUCNWIFYRMDV-FQEVSTJZSA-N 1 0 306.384 4.349 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2cccc(F)c2)C2CC2)cc1F ZINC000483956988 1048888020 /nfs/dbraw/zinc/88/80/20/1048888020.db2.gz NAKDNKVRUCJNEH-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO N#Cc1cc(C[NH2+]CC2(c3cccc(Cl)c3)CCC2)cs1 ZINC001203401974 1048889468 /nfs/dbraw/zinc/88/94/68/1048889468.db2.gz BBCKOFIVUAMJRS-UHFFFAOYSA-N 1 0 316.857 4.485 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483964107 1048890759 /nfs/dbraw/zinc/89/07/59/1048890759.db2.gz NPYMXHDMSHCKOR-CXAGYDPISA-N 1 0 312.363 4.214 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001191192473 1048892354 /nfs/dbraw/zinc/89/23/54/1048892354.db2.gz FYNGWPGBBSIOHG-LJQANCHMSA-N 1 0 304.437 4.240 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)c(F)c1 ZINC000853242765 1048893152 /nfs/dbraw/zinc/89/31/52/1048893152.db2.gz RYOFPFHMMBBZAU-ZIAGYGMSSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001177446041 1048893871 /nfs/dbraw/zinc/89/38/71/1048893871.db2.gz AITRCOFDHYGIFU-OAHLLOKOSA-N 1 0 310.416 4.348 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1cc(C#N)ccn1 ZINC001191193148 1048896081 /nfs/dbraw/zinc/89/60/81/1048896081.db2.gz JQJQFXMDLBPLNS-HXUWFJFHSA-N 1 0 307.441 4.105 20 30 DIEDRO COc1cccc(N=NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000853283476 1048896384 /nfs/dbraw/zinc/89/63/84/1048896384.db2.gz RCOODJURFJGULG-UHFFFAOYSA-N 1 0 323.440 4.005 20 30 DIEDRO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCCC#N ZINC000484092820 1048900599 /nfs/dbraw/zinc/90/05/99/1048900599.db2.gz LOFDXDATXZKCRX-UWJYYQICSA-N 1 0 304.437 4.369 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2)cc1OC ZINC000484090957 1048900792 /nfs/dbraw/zinc/90/07/92/1048900792.db2.gz CXXJTTXMOIPOME-QGZVFWFLSA-N 1 0 323.436 4.186 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC001203447917 1048904434 /nfs/dbraw/zinc/90/44/34/1048904434.db2.gz SCQVVLTYHQAGJW-NHCUHLMSSA-N 1 0 304.437 4.055 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000853524930 1048909523 /nfs/dbraw/zinc/90/95/23/1048909523.db2.gz AAPGUVPZGBJMKZ-AWEZNQCLSA-N 1 0 320.392 4.417 20 30 DIEDRO C[C@]1(C#N)CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000853598446 1048910540 /nfs/dbraw/zinc/91/05/40/1048910540.db2.gz BDEMTJWJCNZLFD-LJQANCHMSA-N 1 0 306.365 4.027 20 30 DIEDRO C[C@@]1(C#N)CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000853598439 1048910948 /nfs/dbraw/zinc/91/09/48/1048910948.db2.gz BDEMTJWJCNZLFD-IBGZPJMESA-N 1 0 306.365 4.027 20 30 DIEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000111411891 1048912009 /nfs/dbraw/zinc/91/20/09/1048912009.db2.gz FVUKPTKQMXSFOT-KKSFZXQISA-N 1 0 319.452 4.060 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001191266965 1048912338 /nfs/dbraw/zinc/91/23/38/1048912338.db2.gz BNJIOLZFTLQVFZ-NRFANRHFSA-N 1 0 306.453 4.362 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCCOCc1ccccc1 ZINC001177570770 1048918785 /nfs/dbraw/zinc/91/87/85/1048918785.db2.gz LKGJNUBBWSGTHC-UHFFFAOYSA-N 1 0 322.452 4.262 20 30 DIEDRO COc1ccc2c(Nc3c(F)ccc(F)c3C#N)cc[nH+]c2c1 ZINC001203528279 1048920574 /nfs/dbraw/zinc/92/05/74/1048920574.db2.gz LEYIBYQVRAPABZ-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000924792378 1048923163 /nfs/dbraw/zinc/92/31/63/1048923163.db2.gz VBRFJUAYIVAXRG-JTQLQIEISA-N 1 0 307.850 4.368 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)cc1 ZINC001177631135 1048925822 /nfs/dbraw/zinc/92/58/22/1048925822.db2.gz AGOOAYBDEDGZMW-KRWDZBQOSA-N 1 0 307.437 4.155 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)C1 ZINC001177636640 1048926500 /nfs/dbraw/zinc/92/65/00/1048926500.db2.gz AHQLVWVUBPCBKH-HUUCEWRRSA-N 1 0 304.503 4.289 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(CC#N)cc2)CC[C@@H]1C(F)(F)F ZINC000484358526 1048926762 /nfs/dbraw/zinc/92/67/62/1048926762.db2.gz HBXYQGBPLRKRQB-HNNXBMFYSA-N 1 0 310.363 4.163 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)CC1 ZINC001177683691 1048929539 /nfs/dbraw/zinc/92/95/39/1048929539.db2.gz PEAXUOBKOPSQQJ-YFVAEKQCSA-N 1 0 312.501 4.199 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC001177729468 1048932451 /nfs/dbraw/zinc/93/24/51/1048932451.db2.gz PJPRJEQNWSNURZ-IAGOWNOFSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC001177729469 1048932688 /nfs/dbraw/zinc/93/26/88/1048932688.db2.gz PJPRJEQNWSNURZ-IRXDYDNUSA-N 1 0 324.509 4.356 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CCCc2ccc(Cl)cc2)cc1 ZINC001177753218 1048940189 /nfs/dbraw/zinc/94/01/89/1048940189.db2.gz ANKQYONEFXRWFV-UHFFFAOYSA-N 1 0 313.828 4.074 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2C)cc1OC ZINC001177765768 1048940236 /nfs/dbraw/zinc/94/02/36/1048940236.db2.gz YBSJSWISOPRZQH-IUODEOHRSA-N 1 0 309.837 4.192 20 30 DIEDRO C[C@H](Cc1cccs1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001191464245 1048954267 /nfs/dbraw/zinc/95/42/67/1048954267.db2.gz JVPZJHURWZLUGA-CQSZACIVSA-N 1 0 303.858 4.316 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)C1 ZINC001177924264 1048959661 /nfs/dbraw/zinc/95/96/61/1048959661.db2.gz HTCGNWXAWBPSPG-JKSUJKDBSA-N 1 0 324.509 4.404 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001177879205 1048962709 /nfs/dbraw/zinc/96/27/09/1048962709.db2.gz BJMZUVHOQOYPPZ-ZSBDSZQGSA-N 1 0 320.521 4.378 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000776747436 1048978299 /nfs/dbraw/zinc/97/82/99/1048978299.db2.gz XZXHAZBICVZPJC-KRWDZBQOSA-N 1 0 304.478 4.144 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001191691145 1048985117 /nfs/dbraw/zinc/98/51/17/1048985117.db2.gz LGCAGXCMAVWYMM-IAGOWNOFSA-N 1 0 322.493 4.207 20 30 DIEDRO Cc1ccc(C)c(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001203752632 1048990795 /nfs/dbraw/zinc/99/07/95/1048990795.db2.gz OSAWPFJWXANUBE-UHFFFAOYSA-N 1 0 322.427 4.500 20 30 DIEDRO C[C@@H]1OC2(CC[NH+](Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC001203764830 1048992772 /nfs/dbraw/zinc/99/27/72/1048992772.db2.gz NRDLOQBVBQAMTC-INIZCTEOSA-N 1 0 318.420 4.141 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000854844752 1048995651 /nfs/dbraw/zinc/99/56/51/1048995651.db2.gz XFBNCXHXSSAKMS-OOKSDGMUSA-N 1 0 308.510 4.115 20 30 DIEDRO CC(C)(C#N)c1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC001203785222 1048997449 /nfs/dbraw/zinc/99/74/49/1048997449.db2.gz FKLGAOGIPDJWNP-UHFFFAOYSA-N 1 0 320.440 4.222 20 30 DIEDRO N#CCCOCC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000338965338 1049003932 /nfs/dbraw/zinc/00/39/32/1049003932.db2.gz VLDWRYTZDRZEPQ-UHFFFAOYSA-N 1 0 306.837 4.015 20 30 DIEDRO Cc1cc(C#N)cc(C#N)c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203817054 1049010517 /nfs/dbraw/zinc/01/05/17/1049010517.db2.gz WSGJSBAEVWCSRS-UHFFFAOYSA-N 1 0 316.408 4.078 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCc3nc(C)sc32)c1 ZINC001178285836 1049011343 /nfs/dbraw/zinc/01/13/43/1049011343.db2.gz ULYYRDNGCKLVQD-MRXNPFEDSA-N 1 0 314.454 4.184 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203829231 1049012582 /nfs/dbraw/zinc/01/25/82/1049012582.db2.gz GZHYLHQGBWVMKH-UHFFFAOYSA-N 1 0 307.434 4.023 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC23CCC(CC2)C3)ccc1OC ZINC001178373080 1049022429 /nfs/dbraw/zinc/02/24/29/1049022429.db2.gz FHANERVDQKPORF-UHFFFAOYSA-N 1 0 315.457 4.320 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CCCc4ccccc43)CC2)cc1 ZINC001203899803 1049027398 /nfs/dbraw/zinc/02/73/98/1049027398.db2.gz BWPKJOYPZVXDPO-UHFFFAOYSA-N 1 0 316.448 4.428 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@]1(C)c1cccc(O)c1 ZINC001203905589 1049028092 /nfs/dbraw/zinc/02/80/92/1049028092.db2.gz VOWBFFBDWGUDMV-HRAATJIYSA-N 1 0 320.436 4.064 20 30 DIEDRO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001203902126 1049028907 /nfs/dbraw/zinc/02/89/07/1049028907.db2.gz WMARPVBUJKPHEC-UHFFFAOYSA-N 1 0 316.448 4.347 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccccn2)C2CCCCC2)cc1 ZINC001203904917 1049029163 /nfs/dbraw/zinc/02/91/63/1049029163.db2.gz JSGVVZKGDWNTKI-UHFFFAOYSA-N 1 0 305.425 4.288 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)cc1 ZINC000113315432 1049032156 /nfs/dbraw/zinc/03/21/56/1049032156.db2.gz LZOUMTXNAPESRS-KRWDZBQOSA-N 1 0 323.436 4.257 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)c2ccccc2OC)cc1 ZINC000113335108 1049034546 /nfs/dbraw/zinc/03/45/46/1049034546.db2.gz PBARGFYPCVZTSY-UHFFFAOYSA-N 1 0 323.436 4.122 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(OCC)c2)cc1 ZINC000113330682 1049034675 /nfs/dbraw/zinc/03/46/75/1049034675.db2.gz QVKFDXOOZONWTG-KRWDZBQOSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C3CCC3)cc2)cc1 ZINC001178488181 1049045466 /nfs/dbraw/zinc/04/54/66/1049045466.db2.gz QHADJDVSYYSYDA-UHFFFAOYSA-N 1 0 305.421 4.256 20 30 DIEDRO CC(C)CC[C@H]1CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001192158812 1049046007 /nfs/dbraw/zinc/04/60/07/1049046007.db2.gz MRAOICAJJKUFRF-GOSISDBHSA-N 1 0 300.446 4.228 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC001178584738 1049057266 /nfs/dbraw/zinc/05/72/66/1049057266.db2.gz OHIJDOCFQGPUFI-ZBEGNZNMSA-N 1 0 322.861 4.021 20 30 DIEDRO CCCCCCCC[C@H](CO)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC001204011512 1049060011 /nfs/dbraw/zinc/06/00/11/1049060011.db2.gz BPHKDSZXMDXPHV-KSZLIROESA-N 1 0 313.526 4.281 20 30 DIEDRO CC1(C)CC2(CO1)CCC([NH2+]CC1CCC(C#N)CC1)CC2 ZINC001178561204 1049061899 /nfs/dbraw/zinc/06/18/99/1049061899.db2.gz FGMIBXGZUAHPJD-UHFFFAOYSA-N 1 0 304.478 4.034 20 30 DIEDRO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CC[C@H](C)C1 ZINC000484860593 1049062920 /nfs/dbraw/zinc/06/29/20/1049062920.db2.gz IUCAJAXKULGSOR-WMZOPIPTSA-N 1 0 314.473 4.125 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3ccccc3C2)cc1Cl ZINC001178561915 1049063343 /nfs/dbraw/zinc/06/33/43/1049063343.db2.gz VHIWELZYACLAAD-SFHVURJKSA-N 1 0 310.828 4.249 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)Cc2cccnc2)cc1Cl ZINC001204012588 1049063483 /nfs/dbraw/zinc/06/34/83/1049063483.db2.gz WJOXXOSWOAOKNV-AWEZNQCLSA-N 1 0 316.832 4.021 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc2ncccc2c1 ZINC001178640449 1049064677 /nfs/dbraw/zinc/06/46/77/1049064677.db2.gz UQYQVSUACWULLM-UHFFFAOYSA-N 1 0 301.393 4.013 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2Br)C1 ZINC001178614045 1049066604 /nfs/dbraw/zinc/06/66/04/1049066604.db2.gz GFSLYYJECXJWNA-UKRRQHHQSA-N 1 0 308.263 4.326 20 30 DIEDRO C=CCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001178629255 1049068826 /nfs/dbraw/zinc/06/88/26/1049068826.db2.gz MNAIAOLTWSJEEX-UHFFFAOYSA-N 1 0 306.453 4.305 20 30 DIEDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000775518984 1049073087 /nfs/dbraw/zinc/07/30/87/1049073087.db2.gz KKTJVTVYYWTXSA-STQMWFEESA-N 1 0 314.351 4.361 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000113960793 1049079530 /nfs/dbraw/zinc/07/95/30/1049079530.db2.gz PKOBIZCKWZXCNU-ZSZQSSIHSA-N 1 0 324.424 4.374 20 30 DIEDRO Cc1nsc(Nc2cccc(C[NH+]3CCCCC3)c2)c1C#N ZINC001204087293 1049081708 /nfs/dbraw/zinc/08/17/08/1049081708.db2.gz PYVGYBMEOYUPSR-UHFFFAOYSA-N 1 0 312.442 4.053 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1C[C@@H]1C1CCCC1 ZINC001204088825 1049081990 /nfs/dbraw/zinc/08/19/90/1049081990.db2.gz HNGXKRYQMLNXRZ-HZPDHXFCSA-N 1 0 317.860 4.268 20 30 DIEDRO N#Cc1cccc(F)c1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204109386 1049085827 /nfs/dbraw/zinc/08/58/27/1049085827.db2.gz JZNBBQAJXGYWCV-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO COc1cc(C#N)cc(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001204118973 1049089272 /nfs/dbraw/zinc/08/92/72/1049089272.db2.gz RCORJZINHXNVNC-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO Cc1cccc([C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C(C)(C)C)c1 ZINC000775524348 1049089699 /nfs/dbraw/zinc/08/96/99/1049089699.db2.gz SYXCFYSSTZKLPZ-WOJBJXKFSA-N 1 0 322.452 4.277 20 30 DIEDRO N#CCCOCC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000338996655 1049096728 /nfs/dbraw/zinc/09/67/28/1049096728.db2.gz GFZFADCOVPMDRK-QGZVFWFLSA-N 1 0 306.837 4.187 20 30 DIEDRO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1C[C@@H]1C ZINC001204169777 1049101879 /nfs/dbraw/zinc/10/18/79/1049101879.db2.gz BALVSUDNDHAGRE-NWDGAFQWSA-N 1 0 312.226 4.232 20 30 DIEDRO C#Cc1ccc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC001178895288 1049104846 /nfs/dbraw/zinc/10/48/46/1049104846.db2.gz CRBIOSRJLCEDIY-UHFFFAOYSA-N 1 0 315.420 4.356 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3c(F)cccc3F)CC2)c1 ZINC001204202924 1049108948 /nfs/dbraw/zinc/10/89/48/1049108948.db2.gz XYTPOYMQGNRCOY-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)c1 ZINC001204233897 1049110904 /nfs/dbraw/zinc/11/09/04/1049110904.db2.gz JEKFTBOBQBMUKU-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC001204211156 1049111579 /nfs/dbraw/zinc/11/15/79/1049111579.db2.gz SSRFRHFRBDNTQS-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)c1 ZINC001178950937 1049112917 /nfs/dbraw/zinc/11/29/17/1049112917.db2.gz WBMZIIMFLUYNMA-UHFFFAOYSA-N 1 0 305.421 4.061 20 30 DIEDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c2ccccc21 ZINC001204242744 1049118289 /nfs/dbraw/zinc/11/82/89/1049118289.db2.gz QSATZZJTXBHGDB-INIZCTEOSA-N 1 0 307.441 4.031 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)C(C)(C)c1ccccc1 ZINC001192604213 1049121996 /nfs/dbraw/zinc/12/19/96/1049121996.db2.gz KVUPVHHCRBKRNJ-HXUWFJFHSA-N 1 0 322.452 4.413 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000857136667 1049131078 /nfs/dbraw/zinc/13/10/78/1049131078.db2.gz OXCFDOVBXOCQFB-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CC=C)cc1OC ZINC001179143096 1049131856 /nfs/dbraw/zinc/13/18/56/1049131856.db2.gz RMOHXLYUOIRSNS-QZTJIDSGSA-N 1 0 315.457 4.485 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CC=C)cc1OC ZINC001179143097 1049132127 /nfs/dbraw/zinc/13/21/27/1049132127.db2.gz RMOHXLYUOIRSNS-ROUUACIJSA-N 1 0 315.457 4.485 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC001204298077 1049132923 /nfs/dbraw/zinc/13/29/23/1049132923.db2.gz VJWVEFNYFOGJML-UHFFFAOYSA-N 1 0 323.436 4.295 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@]2(C)CC2(F)F)cc1Cl ZINC001179183786 1049135300 /nfs/dbraw/zinc/13/53/00/1049135300.db2.gz OYBCTANLQZZYJC-OAHLLOKOSA-N 1 0 315.791 4.430 20 30 DIEDRO C=CCOCCC[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC001179169188 1049140380 /nfs/dbraw/zinc/14/03/80/1049140380.db2.gz SJYCRFCQACFLNJ-WYMLVPIESA-N 1 0 313.363 4.291 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1c(F)cncc1Br ZINC001179324791 1049156219 /nfs/dbraw/zinc/15/62/19/1049156219.db2.gz GHEMDTJWTIOBBI-UHFFFAOYSA-N 1 0 315.230 4.065 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC001179324979 1049156314 /nfs/dbraw/zinc/15/63/14/1049156314.db2.gz HJPOBNDJHUHVDB-UHFFFAOYSA-N 1 0 313.388 4.379 20 30 DIEDRO C=CCCCCN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001192939721 1049156618 /nfs/dbraw/zinc/15/66/18/1049156618.db2.gz QLAROUOEHCANFU-INIZCTEOSA-N 1 0 311.372 4.018 20 30 DIEDRO C=CCCCCN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001192939722 1049156643 /nfs/dbraw/zinc/15/66/43/1049156643.db2.gz QLAROUOEHCANFU-MRXNPFEDSA-N 1 0 311.372 4.018 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)C1 ZINC001179325237 1049157719 /nfs/dbraw/zinc/15/77/19/1049157719.db2.gz QBNMLZWCMDUSCP-GDBMZVCRSA-N 1 0 300.421 4.492 20 30 DIEDRO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1N(C)C ZINC001204432239 1049161575 /nfs/dbraw/zinc/16/15/75/1049161575.db2.gz SHJXMYFGNZSZBU-UHFFFAOYSA-N 1 0 321.468 4.282 20 30 DIEDRO C#CC1([NH2+]Cc2cc(Br)c(Cl)s2)CCCC1 ZINC001179438380 1049164323 /nfs/dbraw/zinc/16/43/23/1049164323.db2.gz UHVSSVSCPCNUOT-UHFFFAOYSA-N 1 0 318.667 4.200 20 30 DIEDRO COc1cc(C[NH+]2CCC(C)(c3ccccc3)CC2)ccc1C#N ZINC001204459113 1049166349 /nfs/dbraw/zinc/16/63/49/1049166349.db2.gz APARPTGXQWBNKC-UHFFFAOYSA-N 1 0 320.436 4.121 20 30 DIEDRO C#CC[N@H+](Cc1ccc(F)cc1)CC(C)(C)Oc1ccccc1 ZINC001204488110 1049174575 /nfs/dbraw/zinc/17/45/75/1049174575.db2.gz IUZDHYJPBOPYHX-UHFFFAOYSA-N 1 0 311.400 4.119 20 30 DIEDRO C#CC[N@@H+](Cc1ccc2ccc(F)c(F)c2n1)C1CCCCC1 ZINC001204495934 1049176889 /nfs/dbraw/zinc/17/68/89/1049176889.db2.gz CJGMQYUBDOAQMF-UHFFFAOYSA-N 1 0 314.379 4.281 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC001179562822 1049176897 /nfs/dbraw/zinc/17/68/97/1049176897.db2.gz SIFUPXNCWHHKFO-UHFFFAOYSA-N 1 0 316.404 4.318 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCC1(c2ccccc2)CC1 ZINC001179622432 1049188931 /nfs/dbraw/zinc/18/89/31/1049188931.db2.gz VLQMBSGNBTYOHJ-UHFFFAOYSA-N 1 0 304.437 4.387 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(OCC=C)c(OC)c2)CCCCC1 ZINC001179661809 1049189181 /nfs/dbraw/zinc/18/91/81/1049189181.db2.gz ATXLWLZMWDWIOU-UHFFFAOYSA-N 1 0 313.441 4.076 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC001204601700 1049196659 /nfs/dbraw/zinc/19/66/59/1049196659.db2.gz JZHXLDQETTWWQQ-QGZVFWFLSA-N 1 0 303.833 4.117 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC001179715914 1049198680 /nfs/dbraw/zinc/19/86/80/1049198680.db2.gz CVYAEUOROIDOSQ-MRXNPFEDSA-N 1 0 303.471 4.159 20 30 DIEDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1C ZINC000115630231 1049199112 /nfs/dbraw/zinc/19/91/12/1049199112.db2.gz GHOZWWHYKQLIGL-RDJZCZTQSA-N 1 0 308.425 4.445 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1OC ZINC001179767765 1049199881 /nfs/dbraw/zinc/19/98/81/1049199881.db2.gz FGHXARLOUGBESC-IJEWVQPXSA-N 1 0 321.848 4.192 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCC=CCCC3)CC2)cc1 ZINC001179763465 1049205201 /nfs/dbraw/zinc/20/52/01/1049205201.db2.gz IAUYKRXMSJADBM-LJQANCHMSA-N 1 0 323.484 4.253 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2cccc(C#N)n2)cc1 ZINC001179877938 1049225882 /nfs/dbraw/zinc/22/58/82/1049225882.db2.gz KPHYPETVOYBZTM-PMACEKPBSA-N 1 0 305.425 4.030 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)CCC1 ZINC001193617594 1049231664 /nfs/dbraw/zinc/23/16/64/1049231664.db2.gz VWPRVQFLUCWHJG-NRFANRHFSA-N 1 0 324.468 4.372 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)ccc1C#N ZINC001179937720 1049234292 /nfs/dbraw/zinc/23/42/92/1049234292.db2.gz PDEZJLALMDFDRX-KUHUBIRLSA-N 1 0 324.399 4.289 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2c(C#N)ccc(F)c2F)cc1 ZINC001204705244 1049234590 /nfs/dbraw/zinc/23/45/90/1049234590.db2.gz JZYHYAKJYJVPAX-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO SC1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC001204710823 1049235810 /nfs/dbraw/zinc/23/58/10/1049235810.db2.gz OBSBXBZXFUNAMC-UHFFFAOYSA-N 1 0 307.846 4.494 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)c(OC)c1 ZINC001179913829 1049238765 /nfs/dbraw/zinc/23/87/65/1049238765.db2.gz JNMKLAOEVWAVSL-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC001193649432 1049241221 /nfs/dbraw/zinc/24/12/21/1049241221.db2.gz QDENTOFUOWVQRN-CZUORRHYSA-N 1 0 321.262 4.379 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC001193686471 1049245483 /nfs/dbraw/zinc/24/54/83/1049245483.db2.gz KBVWUATZOUMMKI-VBKZILBWSA-N 1 0 305.425 4.153 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC001193686475 1049245882 /nfs/dbraw/zinc/24/58/82/1049245882.db2.gz KBVWUATZOUMMKI-XOBRGWDASA-N 1 0 305.425 4.153 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000858446295 1049259716 /nfs/dbraw/zinc/25/97/16/1049259716.db2.gz DFUYYWZNABZJNW-SNVBAGLBSA-N 1 0 315.230 4.236 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858484468 1049264174 /nfs/dbraw/zinc/26/41/74/1049264174.db2.gz RZOBQAHDNCTAPO-IIBYNOLFSA-N 1 0 320.436 4.286 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000858484467 1049265057 /nfs/dbraw/zinc/26/50/57/1049265057.db2.gz RZOBQAHDNCTAPO-IERDGZPVSA-N 1 0 320.436 4.286 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1ccco1 ZINC000858496683 1049266163 /nfs/dbraw/zinc/26/61/63/1049266163.db2.gz AVPWTBIZJMKNBC-SFHVURJKSA-N 1 0 312.413 4.059 20 30 DIEDRO C=CC[C@@H]1[N@H+](CCOc2ccccc2OC)CCCC1(C)C ZINC001193921120 1049284023 /nfs/dbraw/zinc/28/40/23/1049284023.db2.gz UOEUFROFMOIUDQ-SFHVURJKSA-N 1 0 303.446 4.141 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(N(C)C)cc1C)Cc1ccccc1F ZINC001180175724 1049295373 /nfs/dbraw/zinc/29/53/73/1049295373.db2.gz XFHBPZKXPVXMFS-UHFFFAOYSA-N 1 0 312.432 4.388 20 30 DIEDRO CCCCCCCOC(=O)N(C)CC1CC[NH+](C(C)C)CC1 ZINC001194002888 1049296859 /nfs/dbraw/zinc/29/68/59/1049296859.db2.gz BLTUCSYXANNAMX-UHFFFAOYSA-N 1 0 312.498 4.146 20 30 DIEDRO CCCCCCCOC(=O)N[C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001194020380 1049300181 /nfs/dbraw/zinc/30/01/81/1049300181.db2.gz WYROZPMICZSYDT-CALCHBBNSA-N 1 0 312.498 4.336 20 30 DIEDRO C#CC[N@@H+](CC)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001204898324 1049303743 /nfs/dbraw/zinc/30/37/43/1049303743.db2.gz GYEGXGXSZRXQAM-UHFFFAOYSA-N 1 0 307.315 4.421 20 30 DIEDRO C[NH2+][C@H](c1nc(-c2ccc(C#N)c3ccccc23)no1)C(C)(C)C ZINC001204895922 1049304691 /nfs/dbraw/zinc/30/46/91/1049304691.db2.gz YLGOAKKWZJVHCU-MRXNPFEDSA-N 1 0 320.396 4.068 20 30 DIEDRO C=CC[N@@H+](CCc1cc(C)cc(C)c1)Cc1cccc(C#N)c1 ZINC001204900202 1049306218 /nfs/dbraw/zinc/30/62/18/1049306218.db2.gz YDZCFWPIQTXSBT-UHFFFAOYSA-N 1 0 304.437 4.406 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC001194052126 1049308455 /nfs/dbraw/zinc/30/84/55/1049308455.db2.gz PAUVEOAHGGTTOD-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO C=CC[N@@H+](C[C@H]1C[C@@]1(C)Br)CC1CCCCC1 ZINC001204923795 1049313650 /nfs/dbraw/zinc/31/36/50/1049313650.db2.gz PVBJWKKJACANMF-HUUCEWRRSA-N 1 0 300.284 4.228 20 30 DIEDRO C=CC[N@@H+](Cc1c(C)cc(OC)cc1O)CC1CCCCC1 ZINC001204924172 1049313604 /nfs/dbraw/zinc/31/36/04/1049313604.db2.gz SJGZSARMXQIMKB-UHFFFAOYSA-N 1 0 303.446 4.278 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1c2ccccc2[nH]c1C(=O)OC ZINC001180198996 1049315488 /nfs/dbraw/zinc/31/54/88/1049315488.db2.gz NWAZTIGDJAYRPK-UHFFFAOYSA-N 1 0 314.429 4.133 20 30 DIEDRO CC1(c2ccc(Cl)cc2)CC[NH+](CC2(CC#N)CC2)CC1 ZINC001194082125 1049317631 /nfs/dbraw/zinc/31/76/31/1049317631.db2.gz DKWPKXBTIAURSG-UHFFFAOYSA-N 1 0 302.849 4.387 20 30 DIEDRO C=CCO[C@@H]1CC[N@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001180317577 1049328920 /nfs/dbraw/zinc/32/89/20/1049328920.db2.gz JHQJNXFAZYKZQV-MRXNPFEDSA-N 1 0 307.393 4.363 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC001194154429 1049329349 /nfs/dbraw/zinc/32/93/49/1049329349.db2.gz WBTPVULBCMNENJ-UZLBHIALSA-N 1 0 306.409 4.020 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1COC2(CCC(C)CC2)O1 ZINC001204992651 1049332585 /nfs/dbraw/zinc/33/25/85/1049332585.db2.gz JQYBBFVMZNCRFY-QGLXBCBXSA-N 1 0 309.494 4.423 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001180281244 1049334392 /nfs/dbraw/zinc/33/43/92/1049334392.db2.gz ZTZAYJOLDUUKPM-YOEHRIQHSA-N 1 0 303.833 4.117 20 30 DIEDRO C#CC[N@H+](Cc1cc2ccncc2s1)[C@H]1CCc2ccccc21 ZINC001180296733 1049338775 /nfs/dbraw/zinc/33/87/75/1049338775.db2.gz KZDRGQNPRVLOLT-IBGZPJMESA-N 1 0 318.445 4.419 20 30 DIEDRO C=CCC1([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CCOCC1 ZINC000668552629 1049343428 /nfs/dbraw/zinc/34/34/28/1049343428.db2.gz PYAJWAIVARDYOB-LJQANCHMSA-N 1 0 315.432 4.477 20 30 DIEDRO C=CCC1([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CCOCC1 ZINC000668552666 1049343465 /nfs/dbraw/zinc/34/34/65/1049343465.db2.gz QOGKLIGJGCQYIP-MRXNPFEDSA-N 1 0 324.468 4.049 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCCc3c(F)cccc3F)CC2)c1 ZINC001194261552 1049352588 /nfs/dbraw/zinc/35/25/88/1049352588.db2.gz IVRDBOQNTKMUGK-UHFFFAOYSA-N 1 0 312.363 4.048 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc2ncsc2c1 ZINC000485855069 1049354423 /nfs/dbraw/zinc/35/44/23/1049354423.db2.gz YSLFZTYKYHJXRN-LLVKDONJSA-N 1 0 311.385 4.158 20 30 DIEDRO C=CCOC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001194319753 1049356007 /nfs/dbraw/zinc/35/60/07/1049356007.db2.gz BWDBKOSQWXIDAC-UHFFFAOYSA-N 1 0 302.418 4.186 20 30 DIEDRO N#Cc1ccc(CC[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC001194307355 1049356097 /nfs/dbraw/zinc/35/60/97/1049356097.db2.gz QUQSYZIOBPDGKL-UHFFFAOYSA-N 1 0 310.828 4.423 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc3cccnc3c2)cc1 ZINC001203362779 1049359191 /nfs/dbraw/zinc/35/91/91/1049359191.db2.gz GZJRPQGICPCPPN-UHFFFAOYSA-N 1 0 315.420 4.326 20 30 DIEDRO CC[N@H+](Cc1csc(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001205059760 1049361101 /nfs/dbraw/zinc/36/11/01/1049361101.db2.gz DFCYPBQEWUDNHV-CQSZACIVSA-N 1 0 314.454 4.081 20 30 DIEDRO CC(C)(C)c1ccc(C2CC[NH+](CCOCCC#N)CC2)cc1 ZINC001194497703 1049384593 /nfs/dbraw/zinc/38/45/93/1049384593.db2.gz OLFOGAPDNFQUHF-UHFFFAOYSA-N 1 0 314.473 4.094 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)ccc1F ZINC001205192848 1049407392 /nfs/dbraw/zinc/40/73/92/1049407392.db2.gz HOCOFOGMPFCVER-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2csc(C#N)c2)cc1 ZINC001205225515 1049412446 /nfs/dbraw/zinc/41/24/46/1049412446.db2.gz XILJMCFGRHBATP-GOSISDBHSA-N 1 0 312.438 4.356 20 30 DIEDRO C=C[C@](C)(O)C[N@@H+](Cc1ccc(Cl)cc1Cl)C(C)C ZINC001252555945 1049414485 /nfs/dbraw/zinc/41/44/85/1049414485.db2.gz BLUWBSYXHRDCSB-HNNXBMFYSA-N 1 0 302.245 4.141 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC001194744391 1049415455 /nfs/dbraw/zinc/41/54/55/1049415455.db2.gz HHQOPCLGVMAECX-GOSISDBHSA-N 1 0 315.461 4.157 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1F ZINC001205244117 1049416613 /nfs/dbraw/zinc/41/66/13/1049416613.db2.gz TZYPBNJJFFRPAC-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO CCCCCCCCOC(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001194753409 1049417974 /nfs/dbraw/zinc/41/79/74/1049417974.db2.gz KOSXAUZBGJTPAE-UHFFFAOYSA-N 1 0 324.509 4.338 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](CCc3ccc(C#N)cc3)C2)cc1 ZINC001194715525 1049420133 /nfs/dbraw/zinc/42/01/33/1049420133.db2.gz QNKJCIJFHUSYQJ-OAQYLSRUSA-N 1 0 304.437 4.153 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001194792489 1049424123 /nfs/dbraw/zinc/42/41/23/1049424123.db2.gz SYRPOIUYDHXTTM-LJQANCHMSA-N 1 0 311.400 4.269 20 30 DIEDRO CCCCCCCCOC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001194757055 1049426136 /nfs/dbraw/zinc/42/61/36/1049426136.db2.gz XRITZYUQCBEDER-SJORKVTESA-N 1 0 312.498 4.192 20 30 DIEDRO CC(C)[N@H+](CCOc1ccccc1C#N)[C@H](C)c1ccccc1 ZINC001194817208 1049433977 /nfs/dbraw/zinc/43/39/77/1049433977.db2.gz NXKGXWMUHLVKBJ-QGZVFWFLSA-N 1 0 308.425 4.409 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N1CCC(n2ccnc2)CC1 ZINC001181121140 1049441816 /nfs/dbraw/zinc/44/18/16/1049441816.db2.gz DRULJJCQGVKWSQ-MRXNPFEDSA-N 1 0 305.466 4.043 20 30 DIEDRO N#Cc1ccc(OCCC[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000775617583 1049442210 /nfs/dbraw/zinc/44/22/10/1049442210.db2.gz IDPZOLSIHUIKES-SFHVURJKSA-N 1 0 312.438 4.130 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001181133753 1049444618 /nfs/dbraw/zinc/44/46/18/1049444618.db2.gz ZOFWWZDPVHBXAX-XLAORIBOSA-N 1 0 308.510 4.115 20 30 DIEDRO N#CC1CCC(C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC001181144307 1049445796 /nfs/dbraw/zinc/44/57/96/1049445796.db2.gz CYJZWGVWBNDDDC-UHFFFAOYSA-N 1 0 311.256 4.455 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1(C)C ZINC001181162097 1049445924 /nfs/dbraw/zinc/44/59/24/1049445924.db2.gz AFRNIIUMFDXTQN-SJORKVTESA-N 1 0 320.864 4.285 20 30 DIEDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1(C)C ZINC001181162095 1049446083 /nfs/dbraw/zinc/44/60/83/1049446083.db2.gz AFRNIIUMFDXTQN-IRXDYDNUSA-N 1 0 320.864 4.285 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001181135316 1049446541 /nfs/dbraw/zinc/44/65/41/1049446541.db2.gz UTQAWHCZGNECFQ-BZSNNMDCSA-N 1 0 310.526 4.218 20 30 DIEDRO CCCCCCCCCOC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001194920501 1049449177 /nfs/dbraw/zinc/44/91/77/1049449177.db2.gz IJEARTNPHIYZMU-NNZMDNLPSA-N 1 0 324.509 4.479 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)c(C)c1OC ZINC000588215980 1049449075 /nfs/dbraw/zinc/44/90/75/1049449075.db2.gz MTEKOJHBUPRKQR-HNNXBMFYSA-N 1 0 324.424 4.043 20 30 DIEDRO N#Cc1csc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000093492011 1049450647 /nfs/dbraw/zinc/45/06/47/1049450647.db2.gz SMFZHIUIIRMSFB-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000093492380 1049450882 /nfs/dbraw/zinc/45/08/82/1049450882.db2.gz NHPFLQUTZQBPNW-ZDUSSCGKSA-N 1 0 300.427 4.258 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC001181212466 1049455543 /nfs/dbraw/zinc/45/55/43/1049455543.db2.gz FAXWFXMCBDFDRG-UHFFFAOYSA-N 1 0 316.448 4.394 20 30 DIEDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCCC1 ZINC001205388431 1049457493 /nfs/dbraw/zinc/45/74/93/1049457493.db2.gz GUQCTSNVYRKZQI-HNNXBMFYSA-N 1 0 322.456 4.017 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC001181267932 1049458453 /nfs/dbraw/zinc/45/84/53/1049458453.db2.gz WVJYCHDEKBHYCC-WCQYABFASA-N 1 0 314.242 4.464 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC001181267931 1049458497 /nfs/dbraw/zinc/45/84/97/1049458497.db2.gz WVJYCHDEKBHYCC-DGCLKSJQSA-N 1 0 314.242 4.464 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001194994508 1049459431 /nfs/dbraw/zinc/45/94/31/1049459431.db2.gz XJYXSXADTNCDRB-IRXDYDNUSA-N 1 0 322.493 4.064 20 30 DIEDRO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)ccc1C#N ZINC000486716252 1049459887 /nfs/dbraw/zinc/45/98/87/1049459887.db2.gz YFRQEIWMRMJNEI-UHFFFAOYSA-N 1 0 323.396 4.186 20 30 DIEDRO COc1ccc(C[NH+]2CCC(CC#N)CC2)cc1C(C)(C)C ZINC001205397208 1049460427 /nfs/dbraw/zinc/46/04/27/1049460427.db2.gz POLJVHLLHFGQSI-UHFFFAOYSA-N 1 0 300.446 4.118 20 30 DIEDRO N#C[C@]1(F)CCN(CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001205414202 1049464227 /nfs/dbraw/zinc/46/42/27/1049464227.db2.gz AAWFXUBYPNCVIC-OAQYLSRUSA-N 1 0 322.427 4.026 20 30 DIEDRO C=C[C@H]1CCCCN1Cc1cc(C)c(F)cc1Br ZINC001181314699 1049464446 /nfs/dbraw/zinc/46/44/46/1049464446.db2.gz GQGRJAWJDXXFJO-ZDUSSCGKSA-N 1 0 312.226 4.437 20 30 DIEDRO Cc1cc(C[N@@H+](C)Cc2ccccc2N2CCCC2)ccc1C#N ZINC000486800747 1049476772 /nfs/dbraw/zinc/47/67/72/1049476772.db2.gz SSTJVHBTQJMLJA-UHFFFAOYSA-N 1 0 319.452 4.099 20 30 DIEDRO C=CCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001205471516 1049479537 /nfs/dbraw/zinc/47/95/37/1049479537.db2.gz NXLWREBXIQDAKP-UHFFFAOYSA-N 1 0 303.189 4.348 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC001195147107 1049484063 /nfs/dbraw/zinc/48/40/63/1049484063.db2.gz ISJSTBVYHCVIOE-MRXNPFEDSA-N 1 0 323.358 4.059 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001205498170 1049486739 /nfs/dbraw/zinc/48/67/39/1049486739.db2.gz BJOFSZNXKPKYPZ-AWEZNQCLSA-N 1 0 304.384 4.384 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001205502297 1049487698 /nfs/dbraw/zinc/48/76/98/1049487698.db2.gz PBYNXTBRFZBRPX-QGZVFWFLSA-N 1 0 324.399 4.086 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccc(Cl)cc1F ZINC000862365042 1049490247 /nfs/dbraw/zinc/49/02/47/1049490247.db2.gz KPQXVLWWHNTVFF-XPTSAGLGSA-N 1 0 301.739 4.177 20 30 DIEDRO C#CC[N@H+](CCCCCOc1ccccc1)Cc1ccccc1 ZINC001181637368 1049493495 /nfs/dbraw/zinc/49/34/95/1049493495.db2.gz DAMDHHISVFJXOW-UHFFFAOYSA-N 1 0 307.437 4.371 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2ccnn2CC2CCC2)CCCC1(C)C ZINC001205569144 1049499331 /nfs/dbraw/zinc/49/93/31/1049499331.db2.gz QMPWZNDGOXHILL-SFHVURJKSA-N 1 0 301.478 4.250 20 30 DIEDRO CC(C)[N@H+](CCOc1ccccc1C#N)[C@@H](C)c1ccsc1 ZINC001195258196 1049501678 /nfs/dbraw/zinc/50/16/78/1049501678.db2.gz NBYDZWGSGXNNDV-HNNXBMFYSA-N 1 0 314.454 4.470 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@@H]1CC1(C)C ZINC001195268471 1049505469 /nfs/dbraw/zinc/50/54/69/1049505469.db2.gz FHDBCNTXHGUPKD-ZFWWWQNUSA-N 1 0 321.262 4.235 20 30 DIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001195278920 1049507356 /nfs/dbraw/zinc/50/73/56/1049507356.db2.gz LMAORHSCWOBJCT-RBUKOAKNSA-N 1 0 314.473 4.474 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](OC)CC1)c1ccc(Cl)cc1F ZINC001181699099 1049510122 /nfs/dbraw/zinc/51/01/22/1049510122.db2.gz YZYWQAYWLFPCFO-VBQJREDUSA-N 1 0 309.812 4.091 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cnc2onc(C)c2c1 ZINC001205639994 1049517216 /nfs/dbraw/zinc/51/72/16/1049517216.db2.gz RVLDINBUALAQKR-UHFFFAOYSA-N 1 0 307.397 4.110 20 30 DIEDRO C[C@@]1(CC[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1(Cl)Cl ZINC001181807557 1049520576 /nfs/dbraw/zinc/52/05/76/1049520576.db2.gz HNMAJWUBQDBSIH-HWOWSKLDSA-N 1 0 323.267 4.174 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000246333867 1049525440 /nfs/dbraw/zinc/52/54/40/1049525440.db2.gz IJEQDYNLRXMSTR-GUXCAODWSA-N 1 0 306.409 4.081 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC001181819605 1049525622 /nfs/dbraw/zinc/52/56/22/1049525622.db2.gz YBWZQDNPYQUTLV-LLVKDONJSA-N 1 0 314.242 4.321 20 30 DIEDRO C=CCCCC[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001195423749 1049528916 /nfs/dbraw/zinc/52/89/16/1049528916.db2.gz FRTCFHOAJZQBRT-OWCLPIDISA-N 1 0 310.482 4.061 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC001195463194 1049529775 /nfs/dbraw/zinc/52/97/75/1049529775.db2.gz JABGUZNQKISRBZ-KBPBESRZSA-N 1 0 306.247 4.245 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)Cc1ccccc1SCC ZINC001181891718 1049540124 /nfs/dbraw/zinc/54/01/24/1049540124.db2.gz FGJSQGUQMUEHJK-OIISXLGYSA-N 1 0 305.487 4.053 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1c2ccccc2[nH]c1C(=O)OC ZINC001205735656 1049547933 /nfs/dbraw/zinc/54/79/33/1049547933.db2.gz LWBSLHKJPAGQFW-UHFFFAOYSA-N 1 0 314.429 4.181 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000487591973 1049563716 /nfs/dbraw/zinc/56/37/16/1049563716.db2.gz QCZQNGHZTALVBP-CQSZACIVSA-N 1 0 307.372 4.152 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]Cc1nc2ccc(Br)cc2o1 ZINC001182063387 1049567854 /nfs/dbraw/zinc/56/78/54/1049567854.db2.gz UVPJMDSVGYLAOO-LBPRGKRZSA-N 1 0 323.234 4.425 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC001182072602 1049569345 /nfs/dbraw/zinc/56/93/45/1049569345.db2.gz SEJRHTJTRUCBET-QGZVFWFLSA-N 1 0 308.400 4.249 20 30 DIEDRO Cc1ccc(C[N@@H+](C)[C@H](C)CSc2ccccc2)cc1C#N ZINC001195851912 1049573801 /nfs/dbraw/zinc/57/38/01/1049573801.db2.gz RLPWESIEWPUSFM-MRXNPFEDSA-N 1 0 310.466 4.479 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)Cc1ccc(Cl)cc1Cl ZINC001205850115 1049581823 /nfs/dbraw/zinc/58/18/23/1049581823.db2.gz WPRFKMVEIGMYCJ-BMFZPTHFSA-N 1 0 314.256 4.248 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000775674969 1049584879 /nfs/dbraw/zinc/58/48/79/1049584879.db2.gz LMPITAFOKKQKTB-DVOMOZLQSA-N 1 0 306.837 4.157 20 30 DIEDRO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCC[C@H]1C ZINC000487988832 1049590014 /nfs/dbraw/zinc/59/00/14/1049590014.db2.gz OBZOIBFZVXBJQN-VQIMIIECSA-N 1 0 314.473 4.125 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2ccccc2O1 ZINC001205898696 1049593751 /nfs/dbraw/zinc/59/37/51/1049593751.db2.gz UMXDSVBARKHWNI-YIBJRNTDSA-N 1 0 318.420 4.112 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195946745 1049598229 /nfs/dbraw/zinc/59/82/29/1049598229.db2.gz MVSKYFSPDHSTRL-WBMJQRKESA-N 1 0 314.256 4.315 20 30 DIEDRO C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC001182261776 1049600691 /nfs/dbraw/zinc/60/06/91/1049600691.db2.gz NVPLMJJTJNLOIL-OSJSJHBBSA-N 1 0 314.473 4.492 20 30 DIEDRO Cc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)ccc1C#N ZINC000488120548 1049603744 /nfs/dbraw/zinc/60/37/44/1049603744.db2.gz DTNGKGVHYVRCLX-UHFFFAOYSA-N 1 0 313.404 4.028 20 30 DIEDRO CCC#C[C@H](C)[NH+]1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001196014079 1049604434 /nfs/dbraw/zinc/60/44/34/1049604434.db2.gz PXYMHWUWMFSIBK-HNNXBMFYSA-N 1 0 318.530 4.497 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001196056926 1049606313 /nfs/dbraw/zinc/60/63/13/1049606313.db2.gz NMUVFDJBVYJNEV-APIJFGDWSA-N 1 0 305.384 4.211 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001196056929 1049606655 /nfs/dbraw/zinc/60/66/55/1049606655.db2.gz NMUVFDJBVYJNEV-KBXIAJHMSA-N 1 0 305.384 4.211 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC001196057740 1049608110 /nfs/dbraw/zinc/60/81/10/1049608110.db2.gz SVMACVJRRFHHHM-OAUYIBNBSA-N 1 0 311.828 4.237 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC(C)C)c(Cl)c1)[C@H](C)COC ZINC001196047647 1049609137 /nfs/dbraw/zinc/60/91/37/1049609137.db2.gz ALLUKNKFVALFIJ-CQSZACIVSA-N 1 0 311.853 4.150 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccccc1N(C)CC)c1ccc(C#N)cc1 ZINC000774172955 1049617390 /nfs/dbraw/zinc/61/73/90/1049617390.db2.gz FWAPLJWUOTZRCW-IBGZPJMESA-N 1 0 307.441 4.255 20 30 DIEDRO C#C[C@@H](NCc1cccc(OC(C)(C)C)c1)c1ccc(F)cc1 ZINC001205981006 1049617522 /nfs/dbraw/zinc/61/75/22/1049617522.db2.gz VFCFPAYCIPJZMZ-LJQANCHMSA-N 1 0 311.400 4.467 20 30 DIEDRO COc1cccc([C@@]2(C)CC[N@H+](Cc3ccc(C)c(C#N)c3)C2)c1 ZINC001196142521 1049618182 /nfs/dbraw/zinc/61/81/82/1049618182.db2.gz NMDYGGWATFLEAV-NRFANRHFSA-N 1 0 320.436 4.039 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001205988003 1049622041 /nfs/dbraw/zinc/62/20/41/1049622041.db2.gz CDKQNWCTKZRSEZ-JKSUJKDBSA-N 1 0 318.436 4.046 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC001205999369 1049624641 /nfs/dbraw/zinc/62/46/41/1049624641.db2.gz XPGYOOYJICFNMZ-SPYBWZPUSA-N 1 0 308.400 4.464 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1cccc(F)c1C#N ZINC000864019570 1049624833 /nfs/dbraw/zinc/62/48/33/1049624833.db2.gz KPRISILZGVOAAF-UHFFFAOYSA-N 1 0 323.415 4.214 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC001182325692 1049625538 /nfs/dbraw/zinc/62/55/38/1049625538.db2.gz CGYIWWQOODRLLV-FXAWDEMLSA-N 1 0 309.453 4.490 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1F ZINC001182326239 1049625938 /nfs/dbraw/zinc/62/59/38/1049625938.db2.gz GRMCJHZBJFECSW-GOSISDBHSA-N 1 0 301.380 4.284 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC001182355822 1049635114 /nfs/dbraw/zinc/63/51/14/1049635114.db2.gz GOTJVCXMXQBBCW-ZZRKNQPCSA-N 1 0 305.506 4.288 20 30 DIEDRO C[C@@H]1CCC[C@@H](C2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)C1 ZINC000864054965 1049638484 /nfs/dbraw/zinc/63/84/84/1049638484.db2.gz FDICMIIMJOXDDV-SJLPKXTDSA-N 1 0 308.469 4.500 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(OC(F)(F)F)cc1 ZINC001196329860 1049643441 /nfs/dbraw/zinc/64/34/41/1049643441.db2.gz RXOPAHAXTZHRKR-GASCZTMLSA-N 1 0 311.347 4.311 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774375954 1049653588 /nfs/dbraw/zinc/65/35/88/1049653588.db2.gz HCOILSOUQUDQAQ-SNVBAGLBSA-N 1 0 320.223 4.298 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC001206109211 1049655678 /nfs/dbraw/zinc/65/56/78/1049655678.db2.gz NMLMFHMIBBETQJ-KRWDZBQOSA-N 1 0 323.436 4.488 20 30 DIEDRO CC(C)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000794693892 1049669762 /nfs/dbraw/zinc/66/97/62/1049669762.db2.gz WXSRAEJAJGHLPB-OXQOHEQNSA-N 1 0 308.425 4.063 20 30 DIEDRO Cc1nc(C)c(C[NH+]2CCC(C#Cc3ccccc3)CC2)s1 ZINC001206192230 1049681185 /nfs/dbraw/zinc/68/11/85/1049681185.db2.gz NRLQEKCZNZLCSY-UHFFFAOYSA-N 1 0 310.466 4.024 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001182491221 1049682912 /nfs/dbraw/zinc/68/29/12/1049682912.db2.gz VOGHAKDEYJHGEE-SOUVJXGZSA-N 1 0 310.482 4.013 20 30 DIEDRO CC[C@H](c1ccc(Br)cc1)[N@H+](CC)C[C@H](C)C#N ZINC000488646842 1049684814 /nfs/dbraw/zinc/68/48/14/1049684814.db2.gz YMYZFCDMNNRIIG-IUODEOHRSA-N 1 0 309.251 4.382 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC001182574282 1049687033 /nfs/dbraw/zinc/68/70/33/1049687033.db2.gz MJJVAZCQMHWHHI-NHCUHLMSSA-N 1 0 304.437 4.353 20 30 DIEDRO Cc1c(Br)cccc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC001182616918 1049694472 /nfs/dbraw/zinc/69/44/72/1049694472.db2.gz YGDFRCREDDIKRD-NSHDSACASA-N 1 0 309.251 4.176 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1cccc(Br)c1C ZINC001182616317 1049695104 /nfs/dbraw/zinc/69/51/04/1049695104.db2.gz NSAULKYPZMMBKB-UHFFFAOYSA-N 1 0 308.263 4.431 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC000775748163 1049703707 /nfs/dbraw/zinc/70/37/07/1049703707.db2.gz STILKHJBFOTODS-UHFFFAOYSA-N 1 0 324.811 4.207 20 30 DIEDRO C=CCC1([NH2+]CCC(=O)Nc2cccc(F)c2)CCCCC1 ZINC001196951981 1049709388 /nfs/dbraw/zinc/70/93/88/1049709388.db2.gz BEDCAQJFFBXIOL-UHFFFAOYSA-N 1 0 304.409 4.023 20 30 DIEDRO CC#CCCCCCCCC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC001182768711 1049713530 /nfs/dbraw/zinc/71/35/30/1049713530.db2.gz JLZDCAYFGFNATG-UHFFFAOYSA-N 1 0 300.446 4.099 20 30 DIEDRO Cc1cnc(C2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)s1 ZINC000489010595 1049716994 /nfs/dbraw/zinc/71/69/94/1049716994.db2.gz JLJHISIFBXUBEB-UHFFFAOYSA-N 1 0 311.454 4.011 20 30 DIEDRO C=CCCCCC[NH2+]C1(c2ccc(OC)c(F)c2)CCOCC1 ZINC000489027294 1049719973 /nfs/dbraw/zinc/71/99/73/1049719973.db2.gz NGMJYQWKHNWOPT-UHFFFAOYSA-N 1 0 321.436 4.176 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001206372133 1049722855 /nfs/dbraw/zinc/72/28/55/1049722855.db2.gz XDSMOTXQAAGCJH-MWDXBVQZSA-N 1 0 322.493 4.157 20 30 DIEDRO CC1(C)C[C@@H]1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000489062244 1049723896 /nfs/dbraw/zinc/72/38/96/1049723896.db2.gz DXTMCQYOANSTQI-LJQANCHMSA-N 1 0 320.436 4.273 20 30 DIEDRO C=C(Br)CN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000775765454 1049731471 /nfs/dbraw/zinc/73/14/71/1049731471.db2.gz KZDGCLGPXSTVOR-OAHLLOKOSA-N 1 0 323.278 4.326 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@@H]3CCc4ccccc43)CCC2)cc1 ZINC001206456881 1049737907 /nfs/dbraw/zinc/73/79/07/1049737907.db2.gz QISGHCHTZZTHCG-SFHVURJKSA-N 1 0 302.421 4.257 20 30 DIEDRO C=CCCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC001197496478 1049757016 /nfs/dbraw/zinc/75/70/16/1049757016.db2.gz KFSIAJBOQZCGKI-OAHLLOKOSA-N 1 0 303.446 4.369 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000150820459 1049767341 /nfs/dbraw/zinc/76/73/41/1049767341.db2.gz AKJXMINEEXRPMQ-CQSZACIVSA-N 1 0 316.445 4.038 20 30 DIEDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001206636445 1049773223 /nfs/dbraw/zinc/77/32/23/1049773223.db2.gz MQGMOEDJFUDJMJ-KRWDZBQOSA-N 1 0 306.453 4.447 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC001206637110 1049773504 /nfs/dbraw/zinc/77/35/04/1049773504.db2.gz WJFMKEBTLYVGGS-WMZOPIPTSA-N 1 0 303.494 4.479 20 30 DIEDRO C=CCC1([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001206680742 1049778423 /nfs/dbraw/zinc/77/84/23/1049778423.db2.gz SAASANUGMGQYCO-GOSISDBHSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CCC(C)(C)CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000489954099 1049790538 /nfs/dbraw/zinc/79/05/38/1049790538.db2.gz DUEMJOGJJQSMEK-UHFFFAOYSA-N 1 0 314.473 4.003 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001206791293 1049799363 /nfs/dbraw/zinc/79/93/63/1049799363.db2.gz ZYPDMXNDKFRYGK-MRXNPFEDSA-N 1 0 300.421 4.490 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2c(C)ccc(Br)c2F)C1 ZINC001206800789 1049802125 /nfs/dbraw/zinc/80/21/25/1049802125.db2.gz NEMGWJCSYXIBBJ-GFCCVEGCSA-N 1 0 312.226 4.295 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001207017899 1049822151 /nfs/dbraw/zinc/82/21/51/1049822151.db2.gz LYQAIZUQMCUOHF-ZACQAIPSSA-N 1 0 324.509 4.499 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC001207036288 1049823303 /nfs/dbraw/zinc/82/33/03/1049823303.db2.gz WMGGOSAMSUDKRP-SECBINFHSA-N 1 0 304.178 4.172 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001207050040 1049827292 /nfs/dbraw/zinc/82/72/92/1049827292.db2.gz QUWSRUZMRDNPAM-GVDBMIGSSA-N 1 0 324.509 4.499 20 30 DIEDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000151141506 1049843252 /nfs/dbraw/zinc/84/32/52/1049843252.db2.gz PTOMAUCGBNZGJO-CQSZACIVSA-N 1 0 311.404 4.004 20 30 DIEDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000151141572 1049843887 /nfs/dbraw/zinc/84/38/87/1049843887.db2.gz PTOMAUCGBNZGJO-AWEZNQCLSA-N 1 0 311.404 4.004 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207184744 1049852389 /nfs/dbraw/zinc/85/23/89/1049852389.db2.gz GELROPOCAYDBIV-HKUYNNGSSA-N 1 0 310.828 4.447 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207183800 1049854464 /nfs/dbraw/zinc/85/44/64/1049854464.db2.gz YYXBLPLZKDFJNJ-ICSRJNTNSA-N 1 0 322.839 4.373 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207197422 1049858684 /nfs/dbraw/zinc/85/86/84/1049858684.db2.gz PUVACXYOAIYLHN-MJGOQNOKSA-N 1 0 310.828 4.447 20 30 DIEDRO C=CCCCC[N@@H+](C)CCC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207230854 1049866886 /nfs/dbraw/zinc/86/68/86/1049866886.db2.gz DOWALDVQIZBTCV-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc(Cl)c1 ZINC001207243572 1049868513 /nfs/dbraw/zinc/86/85/13/1049868513.db2.gz NUNYSIJZDXUIEW-BFUOFWGJSA-N 1 0 310.828 4.072 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CCC1CCCCC1)C2 ZINC001207256740 1049870694 /nfs/dbraw/zinc/87/06/94/1049870694.db2.gz LRPJZDOARPIPJE-PMACEKPBSA-N 1 0 321.505 4.031 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CC(c2ccc(C)c(C)c2)=NO1 ZINC001207391110 1049886675 /nfs/dbraw/zinc/88/66/75/1049886675.db2.gz FMSGZOXMBHRVAR-QZTJIDSGSA-N 1 0 300.446 4.131 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC001207421594 1049890314 /nfs/dbraw/zinc/89/03/14/1049890314.db2.gz WUJSZKVMZMGJCF-UHFFFAOYSA-N 1 0 324.855 4.440 20 30 DIEDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000586788291 1049899771 /nfs/dbraw/zinc/89/97/71/1049899771.db2.gz SXNGXTPANBHVAS-UHFFFAOYSA-N 1 0 311.429 4.118 20 30 DIEDRO Cc1cccc(CC[NH+]2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001207537400 1049907769 /nfs/dbraw/zinc/90/77/69/1049907769.db2.gz DGGFZBWQHSZCTN-UHFFFAOYSA-N 1 0 304.437 4.289 20 30 DIEDRO N#CCC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207632624 1049919726 /nfs/dbraw/zinc/91/97/26/1049919726.db2.gz QBMGBJVRTNXRLB-BBWFWOEESA-N 1 0 300.833 4.268 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2O ZINC000571137906 1049922767 /nfs/dbraw/zinc/92/27/67/1049922767.db2.gz JKMFDLPQPDJRKW-PMACEKPBSA-N 1 0 318.420 4.308 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)c1ccc(Br)cc1 ZINC001207689605 1049927069 /nfs/dbraw/zinc/92/70/69/1049927069.db2.gz VQSOWAWYWRIWSK-QWHCGFSZSA-N 1 0 323.278 4.471 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)c1ccc(Br)cc1 ZINC001207689604 1049927864 /nfs/dbraw/zinc/92/78/64/1049927864.db2.gz VQSOWAWYWRIWSK-OLZOCXBDSA-N 1 0 323.278 4.471 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)c2ccccc2O)c1 ZINC000156592249 1049933665 /nfs/dbraw/zinc/93/36/65/1049933665.db2.gz NZEAUYVVVRWGQJ-LPHOPBHVSA-N 1 0 324.424 4.314 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](CC)c2ccccc2O)c1 ZINC000156592627 1049933735 /nfs/dbraw/zinc/93/37/35/1049933735.db2.gz NZEAUYVVVRWGQJ-VQIMIIECSA-N 1 0 324.424 4.314 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001207845760 1049945006 /nfs/dbraw/zinc/94/50/06/1049945006.db2.gz MMLIXMYEIIQUFX-HNNXBMFYSA-N 1 0 310.363 4.264 20 30 DIEDRO Cc1[nH]c2ccccc2c1SCC[NH2+]C[C@H](C)CCC#N ZINC001207854970 1049946661 /nfs/dbraw/zinc/94/66/61/1049946661.db2.gz PSOXUQKEQTVURL-CYBMUJFWSA-N 1 0 301.459 4.098 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC001207894193 1049949950 /nfs/dbraw/zinc/94/99/50/1049949950.db2.gz CWAUSCBRSHVIGE-UWJYYQICSA-N 1 0 320.436 4.300 20 30 DIEDRO CCOc1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)cc1Cl ZINC000571826325 1049967039 /nfs/dbraw/zinc/96/70/39/1049967039.db2.gz MIRIOOXDCOLBBN-UHFFFAOYSA-N 1 0 314.816 4.209 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCC/C=C\CC)[C@H]2CC ZINC001208136347 1049976631 /nfs/dbraw/zinc/97/66/31/1049976631.db2.gz UACVPNMWMHZLAX-LGYYHMKYSA-N 1 0 318.505 4.154 20 30 DIEDRO N#CCCCCCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000588283110 1049980211 /nfs/dbraw/zinc/98/02/11/1049980211.db2.gz UILJNEQMQLWQSI-UHFFFAOYSA-N 1 0 313.445 4.085 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2Cc3ccc(C(=O)OC)cc3C2)CC1 ZINC001208178544 1049982267 /nfs/dbraw/zinc/98/22/67/1049982267.db2.gz QTSBAPGHRHTMCA-MRXNPFEDSA-N 1 0 311.425 4.091 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001208177842 1049982708 /nfs/dbraw/zinc/98/27/08/1049982708.db2.gz HNTXWYNCZAZOBM-LJQANCHMSA-N 1 0 302.506 4.239 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCCCC/C=C\CC)C2 ZINC001208191686 1049983492 /nfs/dbraw/zinc/98/34/92/1049983492.db2.gz WMBMNOLJXVJRDQ-XHHZUUQWSA-N 1 0 321.505 4.339 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+](CCCCC/C=C\CC)C2)C1=O ZINC001208192056 1049983526 /nfs/dbraw/zinc/98/35/26/1049983526.db2.gz YZDCHNSDELUROR-PRPIBZDOSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)CC1(c2ccccc2)CCOCC1 ZINC001208237644 1049988385 /nfs/dbraw/zinc/98/83/85/1049988385.db2.gz QGVULOBYBLPZLK-UHFFFAOYSA-N 1 0 321.464 4.423 20 30 DIEDRO C=CCCCC[N@@H+](C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208237248 1049988491 /nfs/dbraw/zinc/98/84/91/1049988491.db2.gz DSDKOJBOEKYPGL-KRWDZBQOSA-N 1 0 324.509 4.312 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000572279047 1049999450 /nfs/dbraw/zinc/99/94/50/1049999450.db2.gz PISNMFSSGUBDDC-HBFSDRIKSA-N 1 0 313.485 4.458 20 30 DIEDRO N#CCC1CC[NH+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001208830949 1050014134 /nfs/dbraw/zinc/01/41/34/1050014134.db2.gz IKRRXUULKHJLCK-UHFFFAOYSA-N 1 0 310.363 4.264 20 30 DIEDRO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982932 1050015769 /nfs/dbraw/zinc/01/57/69/1050015769.db2.gz VPURHXMCRIRELW-OTVXOJSOSA-N 1 0 314.326 4.250 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001208850584 1050016401 /nfs/dbraw/zinc/01/64/01/1050016401.db2.gz FEGYXLNQFAWTRE-IBGZPJMESA-N 1 0 308.400 4.119 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCc2ccc(C#N)cc2)cc1 ZINC001208858091 1050017226 /nfs/dbraw/zinc/01/72/26/1050017226.db2.gz ISGVHZAQCOAENQ-OAQYLSRUSA-N 1 0 320.436 4.337 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC001208856110 1050017325 /nfs/dbraw/zinc/01/73/25/1050017325.db2.gz ADHYFGUMXCDDLD-HXUWFJFHSA-N 1 0 308.400 4.467 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001208857446 1050017634 /nfs/dbraw/zinc/01/76/34/1050017634.db2.gz FBHUSVAIFNHDSS-OAQYLSRUSA-N 1 0 304.437 4.055 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@@H]2c2ccccc2F)c1 ZINC001208853491 1050017646 /nfs/dbraw/zinc/01/76/46/1050017646.db2.gz OAXLGNSGSUKLKM-HXUWFJFHSA-N 1 0 308.400 4.467 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC001208858484 1050017834 /nfs/dbraw/zinc/01/78/34/1050017834.db2.gz LMWRCGJWRCRVCN-FQEVSTJZSA-N 1 0 322.477 4.281 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001208859598 1050017934 /nfs/dbraw/zinc/01/79/34/1050017934.db2.gz DFWMVYLJAUBUKF-NRFANRHFSA-N 1 0 322.427 4.337 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)CCCc1ccc(C#N)cc1 ZINC001208862274 1050018218 /nfs/dbraw/zinc/01/82/18/1050018218.db2.gz GOMXTUIOMZADSI-MRXNPFEDSA-N 1 0 308.425 4.192 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1(C)CCCCC1)C2 ZINC001208896842 1050021192 /nfs/dbraw/zinc/02/11/92/1050021192.db2.gz QPLDEKBTXJTWGH-QUCCMNQESA-N 1 0 321.505 4.031 20 30 DIEDRO C[C@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)c1cccc(C#N)c1 ZINC000589170113 1050021979 /nfs/dbraw/zinc/02/19/79/1050021979.db2.gz JDGOTLNHZMYQDI-YHBQKQJXSA-N 1 0 312.363 4.433 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CC[C@H](c3ccccc3Cl)C2)cc1 ZINC001208926692 1050023148 /nfs/dbraw/zinc/02/31/48/1050023148.db2.gz YMZZOZXZYBFAIB-KRWDZBQOSA-N 1 0 310.828 4.244 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC001208927768 1050023193 /nfs/dbraw/zinc/02/31/93/1050023193.db2.gz QNHJLZCYLAIDJR-GOSISDBHSA-N 1 0 310.828 4.244 20 30 DIEDRO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000589300529 1050025888 /nfs/dbraw/zinc/02/58/88/1050025888.db2.gz HXPITBHBIPFIPE-OAHLLOKOSA-N 1 0 318.420 4.175 20 30 DIEDRO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCOC(C)(C)C1 ZINC000589274508 1050026402 /nfs/dbraw/zinc/02/64/02/1050026402.db2.gz QQSHJBJLMPIDRM-SFHVURJKSA-N 1 0 314.473 4.267 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337128 1050027857 /nfs/dbraw/zinc/02/78/57/1050027857.db2.gz IDZBPIUOCQJCBE-VLIAUNLRSA-N 1 0 306.409 4.295 20 30 DIEDRO CCCCCCCCCC[N@H+](C)C[C@@H]1CCCN(C(C)=O)C1 ZINC001208977911 1050029902 /nfs/dbraw/zinc/02/99/02/1050029902.db2.gz XFJCATJZOKMSHI-IBGZPJMESA-N 1 0 310.526 4.317 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1Cl)Cc1cccc(C#N)c1 ZINC000589495155 1050038372 /nfs/dbraw/zinc/03/83/72/1050038372.db2.gz XNMLQTXYNIUWDF-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C=CCCC[N@@H+](C(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001209157127 1050040637 /nfs/dbraw/zinc/04/06/37/1050040637.db2.gz PDOUBZDXFVTUPG-KRWDZBQOSA-N 1 0 324.509 4.453 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000589517068 1050042318 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C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001209423690 1050057136 /nfs/dbraw/zinc/05/71/36/1050057136.db2.gz XRVCEAPNUFNZDM-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209428216 1050057284 /nfs/dbraw/zinc/05/72/84/1050057284.db2.gz BVHNULRQEKGQIX-KRWDZBQOSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001209423672 1050057526 /nfs/dbraw/zinc/05/75/26/1050057526.db2.gz WMNSHHCQGYVCDG-UHFFFAOYSA-N 1 0 300.490 4.329 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001209423623 1050057862 /nfs/dbraw/zinc/05/78/62/1050057862.db2.gz VEVFSTVICHKQCT-QGZVFWFLSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCCC[N@@H+](C)CCc1ccc(OC)c(OC)c1 ZINC001209431226 1050058390 /nfs/dbraw/zinc/05/83/90/1050058390.db2.gz KOKCFEGWBPRHBB-UHFFFAOYSA-N 1 0 305.462 4.315 20 30 DIEDRO C=CCCCCC[N@@H+](CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209433387 1050058802 /nfs/dbraw/zinc/05/88/02/1050058802.db2.gz VHSXQMLLAAQCTL-KRWDZBQOSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCCCC[NH+]1CC(C)(CNC(=O)OC(C)(C)C)C1 ZINC001209441326 1050059111 /nfs/dbraw/zinc/05/91/11/1050059111.db2.gz HUQBNXYQTWBTAC-UHFFFAOYSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC001209438142 1050059217 /nfs/dbraw/zinc/05/92/17/1050059217.db2.gz HHNURVXRBYEJLF-UHFFFAOYSA-N 1 0 315.505 4.116 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCC[C@H](c2nc(CC)no2)C1 ZINC001209440775 1050059393 /nfs/dbraw/zinc/05/93/93/1050059393.db2.gz CZOLTCDYMHIYOG-INIZCTEOSA-N 1 0 305.466 4.338 20 30 DIEDRO C=CCCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209436908 1050059460 /nfs/dbraw/zinc/05/94/60/1050059460.db2.gz ZKMQPPQPQGIQIX-QGZVFWFLSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCCC[NH+]1CCN(c2nccc3occc32)CC1 ZINC001209435817 1050059471 /nfs/dbraw/zinc/05/94/71/1050059471.db2.gz JVFCUBDJEPJYPZ-UHFFFAOYSA-N 1 0 313.445 4.086 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2CC=C)CC1 ZINC001209437056 1050059705 /nfs/dbraw/zinc/05/97/05/1050059705.db2.gz FHZKWYFYUHXOAQ-HXUWFJFHSA-N 1 0 318.505 4.156 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001209436872 1050059864 /nfs/dbraw/zinc/05/98/64/1050059864.db2.gz CISZBRXOZAFRFD-UHFFFAOYSA-N 1 0 319.493 4.150 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(Oc2ccncn2)CC1 ZINC001209445281 1050060609 /nfs/dbraw/zinc/06/06/09/1050060609.db2.gz IFCATPBUVFFZFP-UHFFFAOYSA-N 1 0 317.477 4.237 20 30 DIEDRO C=CCCCCCCCC[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001209443111 1050060613 /nfs/dbraw/zinc/06/06/13/1050060613.db2.gz LVALTVSUTDZNRN-QGZVFWFLSA-N 1 0 305.466 4.474 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(Oc2cnccn2)CC1 ZINC001209445671 1050060815 /nfs/dbraw/zinc/06/08/15/1050060815.db2.gz MHRHDQIZOITCQD-UHFFFAOYSA-N 1 0 317.477 4.237 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)Cc2ccccc2O1 ZINC000590025125 1050072292 /nfs/dbraw/zinc/07/22/92/1050072292.db2.gz KMROITYTOFZXAZ-MRXNPFEDSA-N 1 0 320.436 4.271 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000590258018 1050084233 /nfs/dbraw/zinc/08/42/33/1050084233.db2.gz ZOPLOEHEMHZWAP-TZIWHRDSSA-N 1 0 319.452 4.290 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2c(F)ccc(F)c2C#N)cc1 ZINC001209824283 1050090142 /nfs/dbraw/zinc/09/01/42/1050090142.db2.gz JURPYUXDXXOUTB-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2c(C#N)cccc2OC)cc1 ZINC001209824187 1050090235 /nfs/dbraw/zinc/09/02/35/1050090235.db2.gz PPVOEPUSQOSJAA-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1 ZINC000590643209 1050101021 /nfs/dbraw/zinc/10/10/21/1050101021.db2.gz FCFOOSISQBOFCJ-UHFFFAOYSA-N 1 0 321.424 4.436 20 30 DIEDRO CSCC1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653783 1050101804 /nfs/dbraw/zinc/10/18/04/1050101804.db2.gz SOCPZPWXQWPGLA-AUCFXJAVSA-N 1 0 300.471 4.057 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000590749449 1050104936 /nfs/dbraw/zinc/10/49/36/1050104936.db2.gz AICWCVRQZLCWOP-HOCLYGCPSA-N 1 0 310.363 4.468 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCCC1(F)F ZINC000590778822 1050106808 /nfs/dbraw/zinc/10/68/08/1050106808.db2.gz AJJQLKSNQWOBRO-RDJZCZTQSA-N 1 0 304.384 4.351 20 30 DIEDRO Cc1cc(N)[nH+]cc1Nc1ccc(-c2ccc(C#N)cc2)cc1 ZINC001209966439 1050112428 /nfs/dbraw/zinc/11/24/28/1050112428.db2.gz ZLBKJEJWHGBWPD-UHFFFAOYSA-N 1 0 300.365 4.255 20 30 DIEDRO C=C(C)C[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000591082876 1050122081 /nfs/dbraw/zinc/12/20/81/1050122081.db2.gz ZOABAKPVMHWMBI-ZDUSSCGKSA-N 1 0 312.276 4.494 20 30 DIEDRO C[NH+]1CCC(c2ccc(NC3=CC(=O)CC(C)(C)C3)cc2)CC1 ZINC001210151239 1050145077 /nfs/dbraw/zinc/14/50/77/1050145077.db2.gz AJNCDSQMTBWHEX-UHFFFAOYSA-N 1 0 312.457 4.181 20 30 DIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N=Nc3ncccc3Cl)CC2)C1 ZINC000733747187 1050150225 /nfs/dbraw/zinc/15/02/25/1050150225.db2.gz LDSCAUXCXXEOGT-ZFWWWQNUSA-N 1 0 320.868 4.177 20 30 DIEDRO C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000823830966 1050157414 /nfs/dbraw/zinc/15/74/14/1050157414.db2.gz MKPZRDIGJYBWAS-HNNXBMFYSA-N 1 0 320.392 4.056 20 30 DIEDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000823904929 1050162433 /nfs/dbraw/zinc/16/24/33/1050162433.db2.gz PHUPUCZLVSZLQN-BLLLJJGKSA-N 1 0 314.479 4.128 20 30 DIEDRO CC(C)(C)c1ccc([C@H](O)C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000823871407 1050162527 /nfs/dbraw/zinc/16/25/27/1050162527.db2.gz GXHKPWOYASKAOK-QPIRBTGLSA-N 1 0 314.473 4.080 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000760837245 1050167682 /nfs/dbraw/zinc/16/76/82/1050167682.db2.gz XDIBCXPLSMLTMP-XJKSGUPXSA-N 1 0 313.363 4.169 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171036477 1050167690 /nfs/dbraw/zinc/16/76/90/1050167690.db2.gz GPFWCBIPQPEDGK-SFHVURJKSA-N 1 0 322.839 4.127 20 30 DIEDRO CC(C)(C)[NH+]1CC(OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001210246362 1050177854 /nfs/dbraw/zinc/17/78/54/1050177854.db2.gz KOTXDKCBYXJOQA-UHFFFAOYSA-N 1 0 320.436 4.225 20 30 DIEDRO CC[NH+](CC)C[C@@H](C)OCc1ccc(-c2ccccc2C#N)cc1 ZINC001210247665 1050179275 /nfs/dbraw/zinc/17/92/75/1050179275.db2.gz ZCTKUOYGXRCFIA-QGZVFWFLSA-N 1 0 322.452 4.472 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001136839695 1050191600 /nfs/dbraw/zinc/19/16/00/1050191600.db2.gz RIQFBHFRAPBWBZ-ZWKOTPCHSA-N 1 0 310.526 4.173 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)nc1 ZINC000824231164 1050191612 /nfs/dbraw/zinc/19/16/12/1050191612.db2.gz JKVMSBGVRCTYCL-SFHVURJKSA-N 1 0 323.827 4.332 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1Cl ZINC000591706877 1050199153 /nfs/dbraw/zinc/19/91/53/1050199153.db2.gz LTTCKCZIJQKCFE-MRXNPFEDSA-N 1 0 313.828 4.334 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H]2CCCC[C@@H]2C)cc1 ZINC000734005156 1050212388 /nfs/dbraw/zinc/21/23/88/1050212388.db2.gz XXHFNMBDRXAUJA-LZLYRXPVSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000734005151 1050213421 /nfs/dbraw/zinc/21/34/21/1050213421.db2.gz XWBBNDTZEXAWRD-IEBWSBKVSA-N 1 0 313.489 4.342 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000824535724 1050220595 /nfs/dbraw/zinc/22/05/95/1050220595.db2.gz VMVUSMHKCLKWOO-UHFFFAOYSA-N 1 0 324.399 4.021 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cc(C3CC3)ccc2F)cc1 ZINC000824548565 1050223792 /nfs/dbraw/zinc/22/37/92/1050223792.db2.gz JTOFCJVKEMFWKR-AWEZNQCLSA-N 1 0 324.399 4.284 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000734159473 1050233515 /nfs/dbraw/zinc/23/35/15/1050233515.db2.gz OVEPQQSPACIPET-UHFFFAOYSA-N 1 0 320.219 4.295 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001170025873 1050240820 /nfs/dbraw/zinc/24/08/20/1050240820.db2.gz JLGREZNXPWWEEB-HXUWFJFHSA-N 1 0 308.425 4.458 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001170025870 1050240951 /nfs/dbraw/zinc/24/09/51/1050240951.db2.gz JLGREZNXPWWEEB-FQEVSTJZSA-N 1 0 308.425 4.458 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C(C)(C)C ZINC000734509941 1050279095 /nfs/dbraw/zinc/27/90/95/1050279095.db2.gz UBUSHOIIEHHPLY-INIZCTEOSA-N 1 0 324.472 4.236 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc2n(n1)CCCC2 ZINC000592389802 1050296276 /nfs/dbraw/zinc/29/62/76/1050296276.db2.gz RBTYAPOBTKPREG-APWZRJJASA-N 1 0 322.456 4.305 20 30 DIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc2n(n1)CCCC2 ZINC000592389804 1050296639 /nfs/dbraw/zinc/29/66/39/1050296639.db2.gz RBTYAPOBTKPREG-QFBILLFUSA-N 1 0 322.456 4.305 20 30 DIEDRO Cc1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c(C#N)c1 ZINC001210566381 1050298653 /nfs/dbraw/zinc/29/86/53/1050298653.db2.gz BGWRFSKAFAAEGN-UHFFFAOYSA-N 1 0 305.425 4.249 20 30 DIEDRO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CC(C)(C)C1 ZINC001171087519 1050303533 /nfs/dbraw/zinc/30/35/33/1050303533.db2.gz TWYQPUUEGSBNQV-UHFFFAOYSA-N 1 0 306.837 4.253 20 30 DIEDRO C[C@]1(C#N)CCN([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088864 1050304558 /nfs/dbraw/zinc/30/45/58/1050304558.db2.gz WVAVMWVADKCLCI-XJKSGUPXSA-N 1 0 309.240 4.086 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cscc2Cl)c1 ZINC000771964852 1050304867 /nfs/dbraw/zinc/30/48/67/1050304867.db2.gz VSLHEDOPINSTIC-CQSZACIVSA-N 1 0 320.845 4.372 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc2C1)c1ccc(C#N)cc1 ZINC001171089499 1050306678 /nfs/dbraw/zinc/30/66/78/1050306678.db2.gz AJIQDCIFQPRWSS-YJYMSZOUSA-N 1 0 310.828 4.420 20 30 DIEDRO CC1(C#N)CC[NH+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171088505 1050306908 /nfs/dbraw/zinc/30/69/08/1050306908.db2.gz VZVIGKLBYQTVGQ-AWEZNQCLSA-N 1 0 323.267 4.476 20 30 DIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(/N=C\c2ccccc2O)CC1 ZINC000734749506 1050307422 /nfs/dbraw/zinc/30/74/22/1050307422.db2.gz CUJGIANGHIGGSQ-NOEYKIMYSA-N 1 0 308.425 4.037 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC1 ZINC001143362197 1050317044 /nfs/dbraw/zinc/31/70/44/1050317044.db2.gz QHLLNTQWFDPCGD-UHFFFAOYSA-N 1 0 317.738 4.084 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc2C1)c1cccc(C#N)c1 ZINC001171093771 1050321827 /nfs/dbraw/zinc/32/18/27/1050321827.db2.gz IACFEDRUMGWSPM-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000734836236 1050324514 /nfs/dbraw/zinc/32/45/14/1050324514.db2.gz CTKMZPDUZISVDU-QGZVFWFLSA-N 1 0 300.446 4.237 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000734835460 1050324829 /nfs/dbraw/zinc/32/48/29/1050324829.db2.gz WXEASNCKXNWIDX-UHFFFAOYSA-N 1 0 306.793 4.016 20 30 DIEDRO C=CCC[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1ccccc1 ZINC000772168674 1050335567 /nfs/dbraw/zinc/33/55/67/1050335567.db2.gz DLFYPUKXLOYNBI-LJQANCHMSA-N 1 0 314.473 4.076 20 30 DIEDRO CCC(CC)CN(CCC#N)C[C@H](O)c1ccc(Cl)cc1 ZINC000772196835 1050340836 /nfs/dbraw/zinc/34/08/36/1050340836.db2.gz BDCMUSZWERCSHT-KRWDZBQOSA-N 1 0 308.853 4.025 20 30 DIEDRO N#Cc1cc(Cl)cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001210710931 1050343804 /nfs/dbraw/zinc/34/38/04/1050343804.db2.gz FMQUQFKSJGUPHO-KRWDZBQOSA-N 1 0 301.821 4.156 20 30 DIEDRO N#Cc1c(Cl)cccc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210711000 1050343917 /nfs/dbraw/zinc/34/39/17/1050343917.db2.gz GEXBBXSHUAMXHA-CQSZACIVSA-N 1 0 301.821 4.156 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)c2cccs2)cc1 ZINC000735085642 1050344025 /nfs/dbraw/zinc/34/40/25/1050344025.db2.gz FVZBJAWBGXUQIU-UHFFFAOYSA-N 1 0 313.470 4.123 20 30 DIEDRO N#Cc1ccc(Cl)c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001210715553 1050346704 /nfs/dbraw/zinc/34/67/04/1050346704.db2.gz WEGZLDYOXGFVTE-OAHLLOKOSA-N 1 0 301.821 4.156 20 30 DIEDRO C=CC[N@@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)C1CC1 ZINC000772381383 1050354652 /nfs/dbraw/zinc/35/46/52/1050354652.db2.gz KGTRHKYNKYVJAP-UHFFFAOYSA-N 1 0 311.425 4.375 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000772380481 1050356517 /nfs/dbraw/zinc/35/65/17/1050356517.db2.gz FMDSXZAIZYVKGV-UHFFFAOYSA-N 1 0 302.418 4.184 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)c1 ZINC000747917577 1050357240 /nfs/dbraw/zinc/35/72/40/1050357240.db2.gz ZVGHPCAVGNLDJJ-RLFYNMQTSA-N 1 0 300.446 4.282 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735306405 1050366335 /nfs/dbraw/zinc/36/63/35/1050366335.db2.gz NBXWULQJJAYILX-AWEZNQCLSA-N 1 0 314.816 4.435 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735305955 1050368499 /nfs/dbraw/zinc/36/84/99/1050368499.db2.gz FTMWITYVEWPJQY-CJNGLKHVSA-N 1 0 306.837 4.253 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001143810235 1050370069 /nfs/dbraw/zinc/37/00/69/1050370069.db2.gz NTOMXMAEGBFDMJ-LLVKDONJSA-N 1 0 301.739 4.204 20 30 DIEDRO Cc1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000735308704 1050372188 /nfs/dbraw/zinc/37/21/88/1050372188.db2.gz PTZJKCDLJUHDOS-UHFFFAOYSA-N 1 0 314.816 4.183 20 30 DIEDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735309566 1050372244 /nfs/dbraw/zinc/37/22/44/1050372244.db2.gz PCSQZUBCSDGJAR-MRXNPFEDSA-N 1 0 306.837 4.253 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735309565 1050373780 /nfs/dbraw/zinc/37/37/80/1050373780.db2.gz PCSQZUBCSDGJAR-INIZCTEOSA-N 1 0 306.837 4.253 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(OC)c(OC(F)(F)F)c1 ZINC001143879171 1050391760 /nfs/dbraw/zinc/39/17/60/1050391760.db2.gz AEWLFKJEFOWLQO-UHFFFAOYSA-N 1 0 317.351 4.382 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000785751719 1050409626 /nfs/dbraw/zinc/40/96/26/1050409626.db2.gz GCSIPAGIQVKJCP-HZPDHXFCSA-N 1 0 310.482 4.110 20 30 DIEDRO Cc1cc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)ccc1C#N ZINC000785765534 1050412956 /nfs/dbraw/zinc/41/29/56/1050412956.db2.gz FSZPNBVIXUVYCG-UHFFFAOYSA-N 1 0 323.827 4.204 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)CCC ZINC000058790907 1050422202 /nfs/dbraw/zinc/42/22/02/1050422202.db2.gz VXBHPLMEHNNDAO-AWEZNQCLSA-N 1 0 306.475 4.024 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2ccccc2)cn1 ZINC000593631755 1050428918 /nfs/dbraw/zinc/42/89/18/1050428918.db2.gz NLGPCZMMWXEYGK-BXWFABGCSA-N 1 0 305.425 4.482 20 30 DIEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000593654979 1050431791 /nfs/dbraw/zinc/43/17/91/1050431791.db2.gz TYDJLNOMXKQGKF-UONOGXRCSA-N 1 0 313.470 4.462 20 30 DIEDRO Cc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1Oc1cccnc1 ZINC000593652719 1050432255 /nfs/dbraw/zinc/43/22/55/1050432255.db2.gz IAQXXINRTCTGAG-UHFFFAOYSA-N 1 0 321.424 4.356 20 30 DIEDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593673734 1050434313 /nfs/dbraw/zinc/43/43/13/1050434313.db2.gz IMHVKGODMRYFQG-NOLJZWGESA-N 1 0 302.393 4.100 20 30 DIEDRO C=CC[C@@H](C)C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001144021185 1050443067 /nfs/dbraw/zinc/44/30/67/1050443067.db2.gz PZKVUCISASBHKH-MRXNPFEDSA-N 1 0 320.436 4.353 20 30 DIEDRO Clc1cccc(N2CCCC2)c1C=[NH+]NC1CCCCC1 ZINC000786042042 1050446381 /nfs/dbraw/zinc/44/63/81/1050446381.db2.gz HXOGYFZYRDUZSC-UHFFFAOYSA-N 1 0 305.853 4.196 20 30 DIEDRO CC#Cc1cncc(Nc2ccccc2C[NH+]2CCCCC2)c1 ZINC001211058892 1050460740 /nfs/dbraw/zinc/46/07/40/1050460740.db2.gz NRUOGLXVMUZHIV-UHFFFAOYSA-N 1 0 305.425 4.183 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCc1noc2ccccc12)c1ccccc1 ZINC000593994746 1050461188 /nfs/dbraw/zinc/46/11/88/1050461188.db2.gz IZWHMNHPSAOAFT-GOSISDBHSA-N 1 0 319.408 4.395 20 30 DIEDRO CC(C)Oc1ccc(CC#N)cc1-c1ccc(CC[NH+](C)C)cc1 ZINC000593954952 1050463797 /nfs/dbraw/zinc/46/37/97/1050463797.db2.gz VAGQDNQKRRODOL-UHFFFAOYSA-N 1 0 322.452 4.311 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(CCc3ccc(F)cc3F)CC2)C1 ZINC000594019022 1050466192 /nfs/dbraw/zinc/46/61/92/1050466192.db2.gz CRWCGVZDPWVNKI-YJBOKZPZSA-N 1 0 318.411 4.302 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(CCc3ccc(F)cc3F)CC2)C1 ZINC000594019019 1050466551 /nfs/dbraw/zinc/46/65/51/1050466551.db2.gz CRWCGVZDPWVNKI-CRAIPNDOSA-N 1 0 318.411 4.302 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCC[C@@H]2CC2CCCC2)CCOCC1 ZINC000594053469 1050470297 /nfs/dbraw/zinc/47/02/97/1050470297.db2.gz QBFFSCYRSSVXNU-GOSISDBHSA-N 1 0 304.478 4.132 20 30 DIEDRO CN(Cc1cccc(C#N)c1)Cc1cc(Cl)c(F)cc1F ZINC001144133560 1050475533 /nfs/dbraw/zinc/47/55/33/1050475533.db2.gz DDWBWIOABVKUEC-UHFFFAOYSA-N 1 0 306.743 4.122 20 30 DIEDRO Cc1cnc(C#N)c(Nc2ccc(N(C)C3CCCCC3)nc2)c1 ZINC001212613424 1050476731 /nfs/dbraw/zinc/47/67/31/1050476731.db2.gz SPMHOVFNVGYTDP-UHFFFAOYSA-N 1 0 321.428 4.169 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000736647152 1050484386 /nfs/dbraw/zinc/48/43/86/1050484386.db2.gz GOKLGZFGSAJOFR-QFIPXVFZSA-N 1 0 319.448 4.200 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2cccc(C(F)(F)F)c2C#N)cc1 ZINC001211131236 1050489696 /nfs/dbraw/zinc/48/96/96/1050489696.db2.gz PKMRMNLYCCFCCB-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC001211129667 1050490059 /nfs/dbraw/zinc/49/00/59/1050490059.db2.gz TXTRZUZNOMKOSI-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2ccccc2-c2ccc(C#N)cn2)cc1 ZINC001211134086 1050491680 /nfs/dbraw/zinc/49/16/80/1050491680.db2.gz ALSVYJDSPLWCSS-UHFFFAOYSA-N 1 0 314.392 4.083 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cc(Cl)c(Cl)cc2C#N)c1 ZINC001211142188 1050493234 /nfs/dbraw/zinc/49/32/34/1050493234.db2.gz KTMIJCPYEIDUHI-UHFFFAOYSA-N 1 0 306.196 4.328 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC000766221309 1050500468 /nfs/dbraw/zinc/50/04/68/1050500468.db2.gz GZVHBFHFURPUMC-INIZCTEOSA-N 1 0 303.446 4.184 20 30 DIEDRO C#CCCC[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000766223418 1050504975 /nfs/dbraw/zinc/50/49/75/1050504975.db2.gz OQLWVIKPKNXFJU-UHFFFAOYSA-N 1 0 313.391 4.122 20 30 DIEDRO C=C(C)CN(CC)C(=O)C[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000594395427 1050506540 /nfs/dbraw/zinc/50/65/40/1050506540.db2.gz FKYQNAKNFZYPCK-UHFFFAOYSA-N 1 0 316.489 4.059 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCOc3ccc(F)cc32)cc1 ZINC000594499258 1050518062 /nfs/dbraw/zinc/51/80/62/1050518062.db2.gz BQUKHHYCWAEFHU-SFHVURJKSA-N 1 0 324.399 4.240 20 30 DIEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000594494805 1050518101 /nfs/dbraw/zinc/51/81/01/1050518101.db2.gz HKVNUZKLPMNSAE-KSSFIOAISA-N 1 0 308.425 4.494 20 30 DIEDRO CCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594495979 1050518638 /nfs/dbraw/zinc/51/86/38/1050518638.db2.gz GEIZAPINWHPYOO-UHFFFAOYSA-N 1 0 308.425 4.176 20 30 DIEDRO C[NH+](C)Cc1ccc(NCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594495109 1050518828 /nfs/dbraw/zinc/51/88/28/1050518828.db2.gz MDJUNMNNSQJOQJ-UHFFFAOYSA-N 1 0 307.441 4.161 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000594496889 1050519283 /nfs/dbraw/zinc/51/92/83/1050519283.db2.gz YSRVAJUYLNQJLP-LJQANCHMSA-N 1 0 308.400 4.404 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000594500465 1050521948 /nfs/dbraw/zinc/52/19/48/1050521948.db2.gz UTKZKBGSBZCJJJ-UHFFFAOYSA-N 1 0 300.352 4.056 20 30 DIEDRO C#CCCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000766233830 1050522444 /nfs/dbraw/zinc/52/24/44/1050522444.db2.gz QQYQCPUAYMWNGV-HXUWFJFHSA-N 1 0 311.400 4.121 20 30 DIEDRO N#CC1CC[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171156737 1050525346 /nfs/dbraw/zinc/52/53/46/1050525346.db2.gz DUXVUMPQFTWAJR-AWEZNQCLSA-N 1 0 309.240 4.086 20 30 DIEDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594516886 1050525443 /nfs/dbraw/zinc/52/54/43/1050525443.db2.gz HDWIRZAWHORKIQ-KUHUBIRLSA-N 1 0 306.409 4.100 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1F ZINC000594514661 1050526194 /nfs/dbraw/zinc/52/61/94/1050526194.db2.gz KUAQZWVUEODPHH-CQSZACIVSA-N 1 0 324.399 4.436 20 30 DIEDRO COc1cccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594512215 1050526885 /nfs/dbraw/zinc/52/68/85/1050526885.db2.gz CEZDNLBPDZNRKP-HNNXBMFYSA-N 1 0 306.409 4.297 20 30 DIEDRO CCc1cccnc1[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594518200 1050527311 /nfs/dbraw/zinc/52/73/11/1050527311.db2.gz MXWIXDBCVBQJOU-OAHLLOKOSA-N 1 0 305.425 4.246 20 30 DIEDRO N#Cc1ccc(-c2ccn(C[NH+]3CCC4(CCCC4)CC3)n2)cc1 ZINC000738282271 1050527495 /nfs/dbraw/zinc/52/74/95/1050527495.db2.gz DCBDRAIPMRRFOW-UHFFFAOYSA-N 1 0 320.440 4.035 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(C#N)cc1F ZINC000594519188 1050527412 /nfs/dbraw/zinc/52/74/12/1050527412.db2.gz VFEFWRJKFRNWSR-AWEZNQCLSA-N 1 0 319.383 4.299 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3scnc3C3CC3)CCC2)cc1 ZINC000594517405 1050527834 /nfs/dbraw/zinc/52/78/34/1050527834.db2.gz BQDKOKPSBCLQDM-UHFFFAOYSA-N 1 0 309.438 4.061 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C1CCC(F)(F)CC1 ZINC000594520105 1050527908 /nfs/dbraw/zinc/52/79/08/1050527908.db2.gz YXSCWVYFPNNWMD-SJCJKPOMSA-N 1 0 304.384 4.349 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CSc3ccccc32)cc1 ZINC000594518673 1050528028 /nfs/dbraw/zinc/52/80/28/1050528028.db2.gz KKXVLRJSOUBMDJ-INIZCTEOSA-N 1 0 322.477 4.467 20 30 DIEDRO C[C@@H](Cc1ccccn1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000594516211 1050528605 /nfs/dbraw/zinc/52/86/05/1050528605.db2.gz UTGHUIBLJCDLJS-OCDPCBSRSA-N 1 0 319.452 4.006 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519711 1050529184 /nfs/dbraw/zinc/52/91/84/1050529184.db2.gz XYZACEZJBTWYSZ-GXTWGEPZSA-N 1 0 324.346 4.246 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)C1CCSCC1 ZINC000594518241 1050529210 /nfs/dbraw/zinc/52/92/10/1050529210.db2.gz NLZGGPRGOYWHRC-CQSZACIVSA-N 1 0 300.471 4.059 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000738312448 1050529405 /nfs/dbraw/zinc/52/94/05/1050529405.db2.gz OQMIWGRZTOYNPG-MJGOQNOKSA-N 1 0 320.436 4.275 20 30 DIEDRO N#CCC1CC[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171160458 1050541667 /nfs/dbraw/zinc/54/16/67/1050541667.db2.gz AYCNYPZKEBPDTM-HNNXBMFYSA-N 1 0 323.267 4.476 20 30 DIEDRO N#CCC1CC[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171160459 1050543244 /nfs/dbraw/zinc/54/32/44/1050543244.db2.gz AYCNYPZKEBPDTM-OAHLLOKOSA-N 1 0 323.267 4.476 20 30 DIEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(OC(F)F)cc1 ZINC000594717488 1050550456 /nfs/dbraw/zinc/55/04/56/1050550456.db2.gz MMDOUNUVABDAGJ-CYBMUJFWSA-N 1 0 308.372 4.413 20 30 DIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(CC#N)cc3C)c2c1 ZINC001171168070 1050551798 /nfs/dbraw/zinc/55/17/98/1050551798.db2.gz JHVMVBWXUKUZSD-INIZCTEOSA-N 1 0 317.436 4.203 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C(C)C ZINC000787104171 1050554051 /nfs/dbraw/zinc/55/40/51/1050554051.db2.gz RSBFLGREOQLRQV-UHFFFAOYSA-N 1 0 323.362 4.492 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CCC[N@H+](CC)CC1 ZINC001144387209 1050556885 /nfs/dbraw/zinc/55/68/85/1050556885.db2.gz BZEAZSURQHCKFX-GOSISDBHSA-N 1 0 310.526 4.317 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000594919963 1050563022 /nfs/dbraw/zinc/56/30/22/1050563022.db2.gz QYONAPGIWHPOAL-FQEVSTJZSA-N 1 0 302.421 4.483 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594919164 1050563094 /nfs/dbraw/zinc/56/30/94/1050563094.db2.gz PJVRRAHUCRXSPA-OAHLLOKOSA-N 1 0 306.409 4.101 20 30 DIEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594923069 1050564290 /nfs/dbraw/zinc/56/42/90/1050564290.db2.gz DCRXYPCBQAFXNE-KBXCAEBGSA-N 1 0 306.409 4.248 20 30 DIEDRO COc1cccc(C2([NH2+]Cc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000594931198 1050565807 /nfs/dbraw/zinc/56/58/07/1050565807.db2.gz DXIUFBQCYPBNTB-UHFFFAOYSA-N 1 0 318.420 4.029 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001171176889 1050567561 /nfs/dbraw/zinc/56/75/61/1050567561.db2.gz WXVMVOCYIOOERE-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)cccc1Cl ZINC001171178406 1050568033 /nfs/dbraw/zinc/56/80/33/1050568033.db2.gz GCIHHSQMHNFGGB-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO Cc1c(C)n([C@H](C)Cc2cccc(C#N)c2)c2ccc(C[NH3+])cc12 ZINC001171178938 1050573239 /nfs/dbraw/zinc/57/32/39/1050573239.db2.gz MBVZRGFHFCSIFP-CQSZACIVSA-N 1 0 317.436 4.392 20 30 DIEDRO C[C@]1(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1(F)F ZINC000594976806 1050574404 /nfs/dbraw/zinc/57/44/04/1050574404.db2.gz GVWRRHPEVPVTKU-ZDUSSCGKSA-N 1 0 318.289 4.102 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001171181288 1050574428 /nfs/dbraw/zinc/57/44/28/1050574428.db2.gz JEMAVRHELQMDJR-UWTIGNOOSA-N 1 0 310.363 4.200 20 30 DIEDRO Cc1ccc2cc(C[NH2+]C(C)(C)c3cccc(C#N)c3)[nH]c2c1 ZINC000594969288 1050574459 /nfs/dbraw/zinc/57/44/59/1050574459.db2.gz NXAATVXBKQGMJR-UHFFFAOYSA-N 1 0 303.409 4.373 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3C[C@H](c4ccccc4F)C3)cc2)CC1 ZINC000594938464 1050575915 /nfs/dbraw/zinc/57/59/15/1050575915.db2.gz WLATWQNJQIUWLN-SAABIXHNSA-N 1 0 320.411 4.417 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)n1cc(CCC[NH3+])c2ccccc21 ZINC001171181501 1050576079 /nfs/dbraw/zinc/57/60/79/1050576079.db2.gz MDMPBZBMGHTXNE-INIZCTEOSA-N 1 0 317.436 4.208 20 30 DIEDRO Cc1cccc2c(CC[NH3+])cn([C@H](C)Cc3cccc(C#N)c3)c21 ZINC001171181996 1050577132 /nfs/dbraw/zinc/57/71/32/1050577132.db2.gz RTHCYLCWEGGELA-MRXNPFEDSA-N 1 0 317.436 4.126 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CSc4ccccc43)cc2)CC1 ZINC000594945977 1050577810 /nfs/dbraw/zinc/57/78/10/1050577810.db2.gz YGMVHUFTJXFCAI-INIZCTEOSA-N 1 0 320.461 4.221 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)CC1 ZINC000594945880 1050578583 /nfs/dbraw/zinc/57/85/83/1050578583.db2.gz HUEDOYDIEYCIQS-UHFFFAOYSA-N 1 0 304.384 4.155 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171180492 1050579879 /nfs/dbraw/zinc/57/98/79/1050579879.db2.gz AUURINQEBGATNO-KRWDZBQOSA-N 1 0 322.452 4.458 20 30 DIEDRO CCc1cccc2cc(C[NH2+]Cc3ccc(CC#N)cc3)oc21 ZINC000594951156 1050580578 /nfs/dbraw/zinc/58/05/78/1050580578.db2.gz SBMOKBHKYAQXCR-UHFFFAOYSA-N 1 0 304.393 4.351 20 30 DIEDRO Cc1cc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc2[nH]1 ZINC001171182910 1050581111 /nfs/dbraw/zinc/58/11/11/1050581111.db2.gz WMSNLLLTLLXQSA-UHFFFAOYSA-N 1 0 315.376 4.372 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(CC#N)cc2)c(C)c1 ZINC000594951192 1050581379 /nfs/dbraw/zinc/58/13/79/1050581379.db2.gz SUNPRJGWZJUNAD-UHFFFAOYSA-N 1 0 308.425 4.140 20 30 DIEDRO COCc1csc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000594954849 1050581874 /nfs/dbraw/zinc/58/18/74/1050581874.db2.gz LIMVIBXOUSZZCM-QGZVFWFLSA-N 1 0 300.427 4.029 20 30 DIEDRO Cc1ccc2cc(C[NH2+]C3(c4cccc(C#N)c4)CC3)[nH]c2c1 ZINC000594954837 1050582006 /nfs/dbraw/zinc/58/20/06/1050582006.db2.gz KUXGBODUXLXXCI-UHFFFAOYSA-N 1 0 301.393 4.127 20 30 DIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171186237 1050583324 /nfs/dbraw/zinc/58/33/24/1050583324.db2.gz UOJRELOMNMHICB-ROUUACIJSA-N 1 0 322.452 4.163 20 30 DIEDRO CC[C@H]1c2ccsc2CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000059384343 1050583288 /nfs/dbraw/zinc/58/32/88/1050583288.db2.gz SWFZYTXEOATCKR-KRWDZBQOSA-N 1 0 312.438 4.008 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC001171184385 1050584155 /nfs/dbraw/zinc/58/41/55/1050584155.db2.gz MHSHDBDJEBIYFF-OAHLLOKOSA-N 1 0 324.855 4.464 20 30 DIEDRO CCOc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1F ZINC000594967622 1050584630 /nfs/dbraw/zinc/58/46/30/1050584630.db2.gz FVUIZJRCZKKNLK-UHFFFAOYSA-N 1 0 312.388 4.121 20 30 DIEDRO CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCC#N ZINC000595014531 1050586655 /nfs/dbraw/zinc/58/66/55/1050586655.db2.gz WOJVTGHLDGNCFL-INIZCTEOSA-N 1 0 323.278 4.300 20 30 DIEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C12CCC2 ZINC000594989687 1050589601 /nfs/dbraw/zinc/58/96/01/1050589601.db2.gz VTRZOWXTENDUSC-NDUQDZPOSA-N 1 0 304.478 4.175 20 30 DIEDRO COc1cccc(CNCC2(C#N)CCCCC2)c1OC(C)C ZINC000594995473 1050589721 /nfs/dbraw/zinc/58/97/21/1050589721.db2.gz RQIXQMPVOPHWKG-UHFFFAOYSA-N 1 0 316.445 4.046 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C1CCC(F)CC1 ZINC000594991069 1050591144 /nfs/dbraw/zinc/59/11/44/1050591144.db2.gz YVVYKSPWIWMMPL-ZLPCBKJTSA-N 1 0 318.436 4.376 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)C(C)(C)C(F)F ZINC000595004518 1050592432 /nfs/dbraw/zinc/59/24/32/1050592432.db2.gz AQYPMBIHIZWHNR-LBPRGKRZSA-N 1 0 312.429 4.061 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)c2ccsc2S1 ZINC000595056011 1050592604 /nfs/dbraw/zinc/59/26/04/1050592604.db2.gz OPFVTEDDONPXKC-LRDDRELGSA-N 1 0 314.479 4.377 20 30 DIEDRO COc1cccc2cc([C@@H](C)[NH2+]CCc3ccc(C#N)cc3)oc21 ZINC000595055694 1050593186 /nfs/dbraw/zinc/59/31/86/1050593186.db2.gz HNFSPWWPPAXRIP-CQSZACIVSA-N 1 0 320.392 4.206 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000595057273 1050594285 /nfs/dbraw/zinc/59/42/85/1050594285.db2.gz BYTZQRCOOGCYIK-MRXNPFEDSA-N 1 0 320.458 4.129 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000595058688 1050594571 /nfs/dbraw/zinc/59/45/71/1050594571.db2.gz JFCMQUINZJVUBE-LBPRGKRZSA-N 1 0 323.893 4.187 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1cc(F)cc(F)c1 ZINC001171190032 1050594315 /nfs/dbraw/zinc/59/43/15/1050594315.db2.gz OUMVIDYQBIQDON-QWHCGFSZSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC001171191589 1050594353 /nfs/dbraw/zinc/59/43/53/1050594353.db2.gz BRJYLTUFESNCPX-VBKZILBWSA-N 1 0 308.400 4.369 20 30 DIEDRO C#CCCCCCC(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000787352694 1050594569 /nfs/dbraw/zinc/59/45/69/1050594569.db2.gz HBGCXUKJYPDQTP-UHFFFAOYSA-N 1 0 300.446 4.051 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCCCCCCCCO ZINC001171190046 1050594824 /nfs/dbraw/zinc/59/48/24/1050594824.db2.gz OYMJJZHTSJALRI-SFHVURJKSA-N 1 0 316.489 4.192 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000595057150 1050594651 /nfs/dbraw/zinc/59/46/51/1050594651.db2.gz AUYVHEOIJJCHDI-CRAIPNDOSA-N 1 0 323.477 4.192 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001171190953 1050595142 /nfs/dbraw/zinc/59/51/42/1050595142.db2.gz ZJOWKVLEQDNCMA-LSDHHAIUSA-N 1 0 312.844 4.363 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000595058687 1050594906 /nfs/dbraw/zinc/59/49/06/1050594906.db2.gz JFCMQUINZJVUBE-GFCCVEGCSA-N 1 0 323.893 4.187 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000595059067 1050595207 /nfs/dbraw/zinc/59/52/07/1050595207.db2.gz KRXCRKNLLHCRAN-INIZCTEOSA-N 1 0 318.511 4.326 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001171190246 1050596791 /nfs/dbraw/zinc/59/67/91/1050596791.db2.gz QPSRXBNRSAHRPS-CHWSQXEVSA-N 1 0 300.352 4.118 20 30 DIEDRO C=CCCC1(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)CCCC1 ZINC000595067174 1050596883 /nfs/dbraw/zinc/59/68/83/1050596883.db2.gz KHHWMUYVZINAEH-ZDUSSCGKSA-N 1 0 322.474 4.107 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1csc2ccccc12 ZINC001171192896 1050597712 /nfs/dbraw/zinc/59/77/12/1050597712.db2.gz QLXDFJZEQYLQMC-CQSZACIVSA-N 1 0 306.434 4.494 20 30 DIEDRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCC#N ZINC000595034830 1050600848 /nfs/dbraw/zinc/60/08/48/1050600848.db2.gz YHOBBCXHEPDMAZ-SNVBAGLBSA-N 1 0 304.743 4.183 20 30 DIEDRO COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[C@H](C#N)C3)cc2cc1OC ZINC000595045261 1050601645 /nfs/dbraw/zinc/60/16/45/1050601645.db2.gz SHSLCCMMNQSXTH-SUNYJGFJSA-N 1 0 324.424 4.200 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccn1 ZINC000595050659 1050602989 /nfs/dbraw/zinc/60/29/89/1050602989.db2.gz UAJHLIAMWXNTKQ-YWZLYKJASA-N 1 0 305.425 4.114 20 30 DIEDRO CC(C)c1ccc(CC[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171195408 1050604313 /nfs/dbraw/zinc/60/43/13/1050604313.db2.gz SOHLLRKNQNTZBS-QGZVFWFLSA-N 1 0 306.453 4.445 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001171195698 1050604402 /nfs/dbraw/zinc/60/44/02/1050604402.db2.gz TXYZKMKTTRJBFD-INIZCTEOSA-N 1 0 322.452 4.456 20 30 DIEDRO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccc(C#N)cc1F ZINC000595101555 1050606753 /nfs/dbraw/zinc/60/67/53/1050606753.db2.gz WUPKUHFTWZTJMD-FFKNIBCLSA-N 1 0 308.347 4.316 20 30 DIEDRO COc1cccc(CC(C)(C)[NH2+][C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171197513 1050609006 /nfs/dbraw/zinc/60/90/06/1050609006.db2.gz ACQWDWHLVFZKAV-MRXNPFEDSA-N 1 0 322.452 4.109 20 30 DIEDRO CC[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595079638 1050609528 /nfs/dbraw/zinc/60/95/28/1050609528.db2.gz GDHFAPUAPVYXOK-AZUAARDMSA-N 1 0 311.473 4.006 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)c(C)c1OC ZINC000595091625 1050610162 /nfs/dbraw/zinc/61/01/62/1050610162.db2.gz SDOPAUPUCKOFES-HNNXBMFYSA-N 1 0 316.445 4.137 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1cccc(Cl)c1F ZINC001171198299 1050610530 /nfs/dbraw/zinc/61/05/30/1050610530.db2.gz JRBDRIOPBAEIAM-CYBMUJFWSA-N 1 0 316.807 4.114 20 30 DIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000595092139 1050611598 /nfs/dbraw/zinc/61/15/98/1050611598.db2.gz XSUISKKDAVHYQQ-IEBWSBKVSA-N 1 0 317.521 4.093 20 30 DIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000595092141 1050611862 /nfs/dbraw/zinc/61/18/62/1050611862.db2.gz XSUISKKDAVHYQQ-PKOBYXMFSA-N 1 0 317.521 4.093 20 30 DIEDRO COc1cccc(C2([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CCC2)c1 ZINC000595094329 1050612076 /nfs/dbraw/zinc/61/20/76/1050612076.db2.gz WVRFOORGOOGLOG-AWEZNQCLSA-N 1 0 324.399 4.436 20 30 DIEDRO COc1cccc(C2([NH2+][C@H]3CCc4ccc(C#N)cc43)CCC2)c1 ZINC000595094274 1050612090 /nfs/dbraw/zinc/61/20/90/1050612090.db2.gz USBYUNFLZWKKJL-FQEVSTJZSA-N 1 0 318.420 4.223 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1cccc(F)c1)C1CC1 ZINC001171198479 1050612915 /nfs/dbraw/zinc/61/29/15/1050612915.db2.gz MOIOQNUFAVFGDY-JLTOFOAXSA-N 1 0 308.400 4.369 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccco1 ZINC000787764354 1050617782 /nfs/dbraw/zinc/61/77/82/1050617782.db2.gz OXGGLHXYJOLBMO-ICSRJNTNSA-N 1 0 311.425 4.101 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(C)(C)Cc1cccc(F)c1 ZINC001171198759 1050617902 /nfs/dbraw/zinc/61/79/02/1050617902.db2.gz PONPKIFTMOUSTC-INIZCTEOSA-N 1 0 324.443 4.487 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccco1 ZINC000787764356 1050618515 /nfs/dbraw/zinc/61/85/15/1050618515.db2.gz OXGGLHXYJOLBMO-QUCCMNQESA-N 1 0 311.425 4.101 20 30 DIEDRO Cc1ccc(CC2(C[NH2+][C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171199249 1050618706 /nfs/dbraw/zinc/61/87/06/1050618706.db2.gz WZPGXDJAXIUUDJ-GOSISDBHSA-N 1 0 318.464 4.410 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](c3cccc(OC)c3)C2)cc1 ZINC001144578698 1050619438 /nfs/dbraw/zinc/61/94/38/1050619438.db2.gz JRRCIBCBOARILA-HXUWFJFHSA-N 1 0 305.421 4.056 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H](C)CCCC(C)C)CCC2 ZINC001170077661 1050620549 /nfs/dbraw/zinc/62/05/49/1050620549.db2.gz LTUHIQQNCXBMKK-KRWDZBQOSA-N 1 0 319.493 4.006 20 30 DIEDRO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000595332387 1050621352 /nfs/dbraw/zinc/62/13/52/1050621352.db2.gz CVSKEWYIZRVPJG-OIISXLGYSA-N 1 0 306.400 4.440 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001171201899 1050630724 /nfs/dbraw/zinc/63/07/24/1050630724.db2.gz SPGLNTODAGPAIA-CYBMUJFWSA-N 1 0 313.832 4.063 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001171201262 1050633481 /nfs/dbraw/zinc/63/34/81/1050633481.db2.gz JEMAVRHELQMDJR-RCBQFDQVSA-N 1 0 310.363 4.200 20 30 DIEDRO CCCCCCC[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000740875384 1050635100 /nfs/dbraw/zinc/63/51/00/1050635100.db2.gz XBMKDIDWONOYRE-UHFFFAOYSA-N 1 0 317.477 4.011 20 30 DIEDRO CCCCCCCC[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000740875507 1050635434 /nfs/dbraw/zinc/63/54/34/1050635434.db2.gz DXZIFMLFLGEADU-KRWDZBQOSA-N 1 0 310.526 4.220 20 30 DIEDRO CC1(C)CCCC[C@@H]1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000595472103 1050635872 /nfs/dbraw/zinc/63/58/72/1050635872.db2.gz HXMNYLXYBPELBE-QGZVFWFLSA-N 1 0 311.473 4.155 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cccc3c2CCC3)c1 ZINC000845935615 1050637476 /nfs/dbraw/zinc/63/74/76/1050637476.db2.gz BALUZFUNAIZEPQ-IBGZPJMESA-N 1 0 320.436 4.146 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCc2ccccc2CC1 ZINC001171204091 1050640835 /nfs/dbraw/zinc/64/08/35/1050640835.db2.gz SSQUMDCYYIWNOF-INIZCTEOSA-N 1 0 304.437 4.026 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000845983764 1050641516 /nfs/dbraw/zinc/64/15/16/1050641516.db2.gz ZOQFOQHAMCLZJM-QZWWFDLISA-N 1 0 322.493 4.014 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001171204440 1050646360 /nfs/dbraw/zinc/64/63/60/1050646360.db2.gz XWJOYYKOLNMKOS-YWZLYKJASA-N 1 0 308.400 4.465 20 30 DIEDRO N#CC[C@@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000595616600 1050652730 /nfs/dbraw/zinc/65/27/30/1050652730.db2.gz UZFMEHAMUKRXRQ-KRWDZBQOSA-N 1 0 308.425 4.234 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000595623281 1050653053 /nfs/dbraw/zinc/65/30/53/1050653053.db2.gz LSTMMSHINJDGSQ-GOSISDBHSA-N 1 0 320.436 4.391 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC2(C)CCCC2)ccc1OC ZINC000595625457 1050653232 /nfs/dbraw/zinc/65/32/32/1050653232.db2.gz YLXTYHAYLVXVAP-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000595613316 1050657663 /nfs/dbraw/zinc/65/76/63/1050657663.db2.gz AUZHUZBKAWTKAC-GOSISDBHSA-N 1 0 320.436 4.391 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000595614364 1050658245 /nfs/dbraw/zinc/65/82/45/1050658245.db2.gz LEXFBFDAJYFMOC-OAHLLOKOSA-N 1 0 310.363 4.264 20 30 DIEDRO N#Cc1cccc(CN2CC3(CCCC3)[C@@H]2c2ccco2)c1F ZINC000595673961 1050659745 /nfs/dbraw/zinc/65/97/45/1050659745.db2.gz GXVRZXSENSRPEY-SFHVURJKSA-N 1 0 310.372 4.408 20 30 DIEDRO CCc1oc2ccccc2c1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000746741490 1050663291 /nfs/dbraw/zinc/66/32/91/1050663291.db2.gz MUBBTFXJAONDAR-UHFFFAOYSA-N 1 0 320.392 4.165 20 30 DIEDRO N#CC1(CC[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CCCCC1 ZINC000595791111 1050669914 /nfs/dbraw/zinc/66/99/14/1050669914.db2.gz ZRCJEVOGVPAKEF-ROUUACIJSA-N 1 0 304.478 4.132 20 30 DIEDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000595816504 1050671091 /nfs/dbraw/zinc/67/10/91/1050671091.db2.gz XUBATBSCENDKRB-MRXNPFEDSA-N 1 0 312.457 4.021 20 30 DIEDRO C[C@]1(C#N)CCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000595843043 1050671424 /nfs/dbraw/zinc/67/14/24/1050671424.db2.gz XRTSSTAIFFTHGJ-HXUWFJFHSA-N 1 0 306.409 4.001 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1O ZINC000846156976 1050674328 /nfs/dbraw/zinc/67/43/28/1050674328.db2.gz QODOQJVQOBEJRS-RHSMWYFYSA-N 1 0 310.397 4.096 20 30 DIEDRO C[NH+](C)[C@@H]1CCCC(N=Nc2ccnc3cc(Cl)ccc23)C1 ZINC000788407861 1050680972 /nfs/dbraw/zinc/68/09/72/1050680972.db2.gz GOPNMHSVNTVXPL-CQSZACIVSA-N 1 0 316.836 4.160 20 30 DIEDRO Cc1ccc2c(C)cc(N=NC3CC[N@H+](C)[C@@H](C)C3)nc2c1C ZINC000741454619 1050685945 /nfs/dbraw/zinc/68/59/45/1050685945.db2.gz GTRDHMWPMKSUJF-AWEZNQCLSA-N 1 0 310.445 4.042 20 30 DIEDRO CCC(CC)(C[NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000596063346 1050686429 /nfs/dbraw/zinc/68/64/29/1050686429.db2.gz LUQCERFTDBGRIU-UHFFFAOYSA-N 1 0 317.433 4.001 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000846188143 1050690028 /nfs/dbraw/zinc/69/00/28/1050690028.db2.gz HBKHJMWVLIROOO-RYGJVYDSSA-N 1 0 306.409 4.104 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)CC2 ZINC000846216938 1050695689 /nfs/dbraw/zinc/69/56/89/1050695689.db2.gz WAPMANHESLNCAU-UKRRQHHQSA-N 1 0 309.240 4.109 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001171221404 1050710977 /nfs/dbraw/zinc/71/09/77/1050710977.db2.gz MIPCIKFVIUTDHF-YJBOKZPZSA-N 1 0 308.400 4.118 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)CCc1ccccc1Cl ZINC001171222487 1050711326 /nfs/dbraw/zinc/71/13/26/1050711326.db2.gz HLYSKODMZOAHEO-HNNXBMFYSA-N 1 0 312.844 4.317 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001171222990 1050713693 /nfs/dbraw/zinc/71/36/93/1050713693.db2.gz KZMFINGMGMBBSD-DNVCBOLYSA-N 1 0 308.400 4.118 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2cccs2)CC1 ZINC001171221666 1050714509 /nfs/dbraw/zinc/71/45/09/1050714509.db2.gz RPUXPNXWWJMBFO-OAHLLOKOSA-N 1 0 310.466 4.430 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001171221673 1050714571 /nfs/dbraw/zinc/71/45/71/1050714571.db2.gz RRQNFFUGWXCGDP-QRWLVFNGSA-N 1 0 308.400 4.465 20 30 DIEDRO CCCCCCCC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788651840 1050715656 /nfs/dbraw/zinc/71/56/56/1050715656.db2.gz MYLYNKWOOHPGLD-UHFFFAOYSA-N 1 0 324.509 4.336 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001171224026 1050718505 /nfs/dbraw/zinc/71/85/05/1050718505.db2.gz OTBKZBXPIXUAEX-BEFAXECRSA-N 1 0 308.400 4.118 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1F)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171228668 1050721882 /nfs/dbraw/zinc/72/18/82/1050721882.db2.gz HWDATVVPLGEJIQ-AWEZNQCLSA-N 1 0 314.379 4.290 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)Cc2cccc(C#N)c2)cn1 ZINC001171228185 1050723157 /nfs/dbraw/zinc/72/31/57/1050723157.db2.gz FCVKZXJKZLDGDP-JXFKEZNVSA-N 1 0 305.425 4.030 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001171229336 1050725568 /nfs/dbraw/zinc/72/55/68/1050725568.db2.gz MBAJAMVXZAUQSC-MRXNPFEDSA-N 1 0 320.436 4.074 20 30 DIEDRO CC1(C)CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000741804268 1050746790 /nfs/dbraw/zinc/74/67/90/1050746790.db2.gz HQIQZQCNZYGOGS-UHFFFAOYSA-N 1 0 306.837 4.254 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000772951836 1050753379 /nfs/dbraw/zinc/75/33/79/1050753379.db2.gz OZYDCEOZJJPXRV-MNOVXSKESA-N 1 0 315.244 4.122 20 30 DIEDRO C#CC[N@@H+](CCCOc1cccc(Cl)c1)Cc1ccccc1 ZINC001170093687 1050766287 /nfs/dbraw/zinc/76/62/87/1050766287.db2.gz CXCBDKSOLXBKRS-UHFFFAOYSA-N 1 0 313.828 4.244 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(Cl)nc2)cc1 ZINC000788973521 1050766691 /nfs/dbraw/zinc/76/66/91/1050766691.db2.gz TXWGSDPOZRMKQF-CYBMUJFWSA-N 1 0 302.805 4.151 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979116 1050792194 /nfs/dbraw/zinc/79/21/94/1050792194.db2.gz DVYQIJGWSRPFTP-UHFFFAOYSA-N 1 0 308.450 4.491 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2COc3c2ccc(C)c3C)cc1 ZINC000772958257 1050792122 /nfs/dbraw/zinc/79/21/22/1050792122.db2.gz JAUDLPGCLVNMFK-OXQOHEQNSA-N 1 0 321.420 4.100 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958269 1050793212 /nfs/dbraw/zinc/79/32/12/1050793212.db2.gz DOOQXVQPXBPCQI-CXAGYDPISA-N 1 0 310.422 4.087 20 30 DIEDRO CC[N@H+](Cc1c(C2CCC2)cnn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000596984255 1050794503 /nfs/dbraw/zinc/79/45/03/1050794503.db2.gz RYBKLUXMPCDGAK-OAHLLOKOSA-N 1 0 322.456 4.142 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000772958175 1050794628 /nfs/dbraw/zinc/79/46/28/1050794628.db2.gz CPMJSFALNAQBGT-GOSISDBHSA-N 1 0 312.800 4.019 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CCC(OC4CCCC4)CC3)cc2)CC1 ZINC000596993938 1050796919 /nfs/dbraw/zinc/79/69/19/1050796919.db2.gz ZAEMQYQFRCXVGE-UHFFFAOYSA-N 1 0 324.468 4.165 20 30 DIEDRO N#CC1(c2ccc(C[N@H+](C[C@H]3CCCO3)C3CCCC3)cc2)CC1 ZINC000597015164 1050799858 /nfs/dbraw/zinc/79/98/58/1050799858.db2.gz WKULBPIJWGMQIG-HXUWFJFHSA-N 1 0 324.468 4.165 20 30 DIEDRO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)ccc1N(C)C ZINC000847059834 1050803544 /nfs/dbraw/zinc/80/35/44/1050803544.db2.gz PSHQMUZHSNVOMR-UHFFFAOYSA-N 1 0 319.452 4.102 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@H](CC)Cc1ccc(Br)cc1 ZINC000597086352 1050805915 /nfs/dbraw/zinc/80/59/15/1050805915.db2.gz LEZVABUHKZLIDB-HUUCEWRRSA-N 1 0 309.251 4.052 20 30 DIEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772959850 1050808169 /nfs/dbraw/zinc/80/81/69/1050808169.db2.gz OPDYUIMFAOLDPG-MJGOQNOKSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116963 1050808957 /nfs/dbraw/zinc/80/89/57/1050808957.db2.gz STIOZBLODIYRAN-DOMZBBRYSA-N 1 0 308.347 4.014 20 30 DIEDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116964 1050809791 /nfs/dbraw/zinc/80/97/91/1050809791.db2.gz STIOZBLODIYRAN-IUODEOHRSA-N 1 0 308.347 4.014 20 30 DIEDRO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088526 1050809918 /nfs/dbraw/zinc/80/99/18/1050809918.db2.gz OZVXAYGDGGJOPY-XJKSGUPXSA-N 1 0 322.374 4.405 20 30 DIEDRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597137366 1050811542 /nfs/dbraw/zinc/81/15/42/1050811542.db2.gz GFHJQCRIIODATA-CJNGLKHVSA-N 1 0 322.374 4.405 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1Oc1cccnc1 ZINC000597172506 1050815827 /nfs/dbraw/zinc/81/58/27/1050815827.db2.gz BOMDMPAGIUMXQF-QGZVFWFLSA-N 1 0 321.424 4.308 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000597178167 1050820180 /nfs/dbraw/zinc/82/01/80/1050820180.db2.gz WASDYLWQXCFMIM-GOSISDBHSA-N 1 0 304.437 4.444 20 30 DIEDRO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CC(C)(C)CCC#N ZINC000742367860 1050822470 /nfs/dbraw/zinc/82/24/70/1050822470.db2.gz MDYUKKQBGMFVPL-UHFFFAOYSA-N 1 0 324.472 4.217 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc2C1)c1cccc(C#N)c1 ZINC001168410949 1050823118 /nfs/dbraw/zinc/82/31/18/1050823118.db2.gz FHUPYKQVQHZKKQ-WOJBJXKFSA-N 1 0 308.400 4.296 20 30 DIEDRO Cc1cc([C@@H]2CC[N@H+](CC(C)(C)CCC#N)C2)c(O)cc1Cl ZINC000597222569 1050827288 /nfs/dbraw/zinc/82/72/88/1050827288.db2.gz FSCHJOFIRFPIFU-CQSZACIVSA-N 1 0 320.864 4.473 20 30 DIEDRO C#CCCC[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000742383278 1050827265 /nfs/dbraw/zinc/82/72/65/1050827265.db2.gz WRGJZOHGMHAWKA-UHFFFAOYSA-N 1 0 306.453 4.216 20 30 DIEDRO C#CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000742385149 1050828243 /nfs/dbraw/zinc/82/82/43/1050828243.db2.gz VJLJECWHCMXLNZ-UHFFFAOYSA-N 1 0 315.420 4.042 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)cc2)CC1 ZINC000597225217 1050830317 /nfs/dbraw/zinc/83/03/17/1050830317.db2.gz PYAWBQVLXKDBIG-QUCCMNQESA-N 1 0 324.468 4.023 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc(C#N)cc1F ZINC000593322059 1050831319 /nfs/dbraw/zinc/83/13/19/1050831319.db2.gz LIHSPLOZRPHJEK-PBHICJAKSA-N 1 0 323.415 4.165 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000742370326 1050833003 /nfs/dbraw/zinc/83/30/03/1050833003.db2.gz LHSGNNBGGCZSLB-PBHICJAKSA-N 1 0 303.446 4.101 20 30 DIEDRO CCCCCCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000742397008 1050833193 /nfs/dbraw/zinc/83/31/93/1050833193.db2.gz KEYNOYIGOZYEHT-SFHVURJKSA-N 1 0 304.478 4.074 20 30 DIEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000789450237 1050834760 /nfs/dbraw/zinc/83/47/60/1050834760.db2.gz LCAWYMNWFUHTCF-MCIONIFRSA-N 1 0 306.837 4.109 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000742378369 1050838002 /nfs/dbraw/zinc/83/80/02/1050838002.db2.gz GTIYREFSZFEJDE-GBESFXJTSA-N 1 0 311.473 4.095 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1C#N)[C@H]1CC1(C)C ZINC001171286673 1050843950 /nfs/dbraw/zinc/84/39/50/1050843950.db2.gz JGRDWCFCMXOWAC-CABCVRRESA-N 1 0 321.262 4.235 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000669617908 1050877552 /nfs/dbraw/zinc/87/75/52/1050877552.db2.gz XRZYFXJBWPLETJ-GDBMZVCRSA-N 1 0 313.363 4.134 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccco1 ZINC000789744320 1050882975 /nfs/dbraw/zinc/88/29/75/1050882975.db2.gz SEQONPWFPPKHIK-MJGOQNOKSA-N 1 0 311.425 4.390 20 30 DIEDRO CC[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccc(C#N)cc1 ZINC000602018454 1050890554 /nfs/dbraw/zinc/89/05/54/1050890554.db2.gz CDNQDWQWWYZLFJ-PKOBYXMFSA-N 1 0 305.425 4.198 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC2CCCC2)c1 ZINC000772984237 1050900850 /nfs/dbraw/zinc/90/08/50/1050900850.db2.gz OCXOPRIKKDPGPP-MAUKXSAKSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]2C(C)C)c1 ZINC000772982839 1050902204 /nfs/dbraw/zinc/90/22/04/1050902204.db2.gz FSZZUOPRXVGVKB-QRQLOZEOSA-N 1 0 300.446 4.282 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@H]2C(C)C)c1 ZINC000772982837 1050902632 /nfs/dbraw/zinc/90/26/32/1050902632.db2.gz FSZZUOPRXVGVKB-NEWSRXKRSA-N 1 0 300.446 4.282 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)Cc2ccccc2C)c1 ZINC000772984198 1050904873 /nfs/dbraw/zinc/90/48/73/1050904873.db2.gz NJDQOGOYIMTUAW-FXAWDEMLSA-N 1 0 322.452 4.397 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000772985248 1050906582 /nfs/dbraw/zinc/90/65/82/1050906582.db2.gz UZFBCAROPDLQPC-YLJYHZDGSA-N 1 0 324.399 4.284 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000790056621 1050909029 /nfs/dbraw/zinc/90/90/29/1050909029.db2.gz WJIYKTZNRDAQQG-RTBURBONSA-N 1 0 320.436 4.187 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)nc2C)c1 ZINC000772985288 1050911216 /nfs/dbraw/zinc/91/12/16/1050911216.db2.gz WFFYHUDTTRYZIX-MAUKXSAKSA-N 1 0 323.440 4.230 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000772987507 1050921254 /nfs/dbraw/zinc/92/12/54/1050921254.db2.gz JDQKWCZFTTZMLF-CYBMUJFWSA-N 1 0 317.791 4.342 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000772987952 1050927802 /nfs/dbraw/zinc/92/78/02/1050927802.db2.gz NDNAFFOUTRWALK-FQEVSTJZSA-N 1 0 322.452 4.006 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000772988926 1050933936 /nfs/dbraw/zinc/93/39/36/1050933936.db2.gz UDPNVMXJSRFCEW-CQSZACIVSA-N 1 0 322.433 4.159 20 30 DIEDRO C=CCCC[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000790484939 1050963665 /nfs/dbraw/zinc/96/36/65/1050963665.db2.gz VWYZOXWYJJWTCZ-UHFFFAOYSA-N 1 0 321.827 4.088 20 30 DIEDRO CCC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000348210476 1051003596 /nfs/dbraw/zinc/00/35/96/1051003596.db2.gz COQPQJJJOUQOJV-MRXNPFEDSA-N 1 0 303.406 4.356 20 30 DIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000348206890 1051006017 /nfs/dbraw/zinc/00/60/17/1051006017.db2.gz MRQQBCPUBFPEOH-OAHLLOKOSA-N 1 0 310.445 4.161 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C1CC1 ZINC000773014258 1051023409 /nfs/dbraw/zinc/02/34/09/1051023409.db2.gz JOVVYPDNQDZJCD-HUUCEWRRSA-N 1 0 314.256 4.361 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1cccc2c1C[NH2+]CC2 ZINC001171373055 1051028597 /nfs/dbraw/zinc/02/85/97/1051028597.db2.gz COGFZAOOZKIMMT-HNNXBMFYSA-N 1 0 308.425 4.070 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C2CC2)cc1 ZINC000773029031 1051029971 /nfs/dbraw/zinc/02/99/71/1051029971.db2.gz ABMGBODCCHZFRT-FQEVSTJZSA-N 1 0 308.400 4.117 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000773030577 1051030857 /nfs/dbraw/zinc/03/08/57/1051030857.db2.gz TZHCWBBAWSHUGB-CQSZACIVSA-N 1 0 312.388 4.337 20 30 DIEDRO C#CCCCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000773034719 1051030876 /nfs/dbraw/zinc/03/08/76/1051030876.db2.gz FUIIBFAQECTENP-SJLPKXTDSA-N 1 0 303.421 4.254 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000743477400 1051033204 /nfs/dbraw/zinc/03/32/04/1051033204.db2.gz ROIOSTZPUJYZEG-HNAYVOBHSA-N 1 0 319.408 4.090 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2cccc(C#N)c2)c(O)c1 ZINC000743501066 1051037285 /nfs/dbraw/zinc/03/72/85/1051037285.db2.gz CACIKFNOFKPDBH-QQHUYRGFSA-N 1 0 321.424 4.290 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000743495947 1051038946 /nfs/dbraw/zinc/03/89/46/1051038946.db2.gz JZDDXKLJRBSODT-QGZVFWFLSA-N 1 0 319.452 4.399 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000773103782 1051063233 /nfs/dbraw/zinc/06/32/33/1051063233.db2.gz CHSFUWRYRRFWKC-BEFAXECRSA-N 1 0 308.381 4.318 20 30 DIEDRO C#CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000773108269 1051065352 /nfs/dbraw/zinc/06/53/52/1051065352.db2.gz VFSPKDXFZNBZKW-YUXAGFNASA-N 1 0 324.512 4.384 20 30 DIEDRO C#CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000773108268 1051065492 /nfs/dbraw/zinc/06/54/92/1051065492.db2.gz VFSPKDXFZNBZKW-NYVOZVTQSA-N 1 0 324.512 4.384 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000773117324 1051067293 /nfs/dbraw/zinc/06/72/93/1051067293.db2.gz VHEFVZNEKGPWNC-YLJYHZDGSA-N 1 0 320.436 4.066 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000773117002 1051067577 /nfs/dbraw/zinc/06/75/77/1051067577.db2.gz SSRXSHWYEJWMMS-DYESRHJHSA-N 1 0 315.420 4.288 20 30 DIEDRO C=C(C[NH2+]Cc1cscc1Br)c1ccccc1 ZINC000512112534 1051101758 /nfs/dbraw/zinc/10/17/58/1051101758.db2.gz DWYDYNBNHGZAIQ-UHFFFAOYSA-N 1 0 308.244 4.314 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000792204788 1051125650 /nfs/dbraw/zinc/12/56/50/1051125650.db2.gz CQVUXSPLBPEHDG-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3cccc(F)c3)CC2)cc1F ZINC000792236227 1051128298 /nfs/dbraw/zinc/12/82/98/1051128298.db2.gz YQKXQTRBBZGHCI-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO Oc1ccccc1C[N@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000792232459 1051128649 /nfs/dbraw/zinc/12/86/49/1051128649.db2.gz RQUSIRAFAZBVCL-UHFFFAOYSA-N 1 0 305.421 4.189 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1cccc(C#N)c1 ZINC001171454082 1051137455 /nfs/dbraw/zinc/13/74/55/1051137455.db2.gz RSKUHMVHOXUXDG-SJCJKPOMSA-N 1 0 312.363 4.045 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1cccc(C#N)c1 ZINC001171454083 1051138547 /nfs/dbraw/zinc/13/85/47/1051138547.db2.gz RSKUHMVHOXUXDG-YVEFUNNKSA-N 1 0 312.363 4.045 20 30 DIEDRO C#CC[C@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC001171489235 1051143532 /nfs/dbraw/zinc/14/35/32/1051143532.db2.gz DNJHDUNAYDVWQL-HNNXBMFYSA-N 1 0 302.487 4.426 20 30 DIEDRO C=C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccccc1 ZINC001171529154 1051161971 /nfs/dbraw/zinc/16/19/71/1051161971.db2.gz LZBCHIOPMRATPW-WMLDXEAASA-N 1 0 317.354 4.478 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001170256312 1051164038 /nfs/dbraw/zinc/16/40/38/1051164038.db2.gz KYFCJOPYQXLVKA-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001170275599 1051169054 /nfs/dbraw/zinc/16/90/54/1051169054.db2.gz HNDWODDPNNAVGR-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc4ccccc4n3)CCC2)cc1 ZINC001171568203 1051170055 /nfs/dbraw/zinc/17/00/55/1051170055.db2.gz UTVMMEMINBIRTD-UHFFFAOYSA-N 1 0 313.404 4.275 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCc3ccc(Cl)cc3)CCC2)cc1 ZINC001171566918 1051170762 /nfs/dbraw/zinc/17/07/62/1051170762.db2.gz CKWRIYCOTVLUEA-UHFFFAOYSA-N 1 0 310.828 4.423 20 30 DIEDRO C[C@H](C#N)N(C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171653523 1051184003 /nfs/dbraw/zinc/18/40/03/1051184003.db2.gz HOSVYIFEBSEGHS-XEBKBJJBSA-N 1 0 321.262 4.319 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001171679095 1051192585 /nfs/dbraw/zinc/19/25/85/1051192585.db2.gz WNVYECZCGOBESO-GUDVDZBRSA-N 1 0 312.457 4.311 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@H](CF)C2)CC1 ZINC001170389478 1051194809 /nfs/dbraw/zinc/19/48/09/1051194809.db2.gz UNNUCXVJZAXHDJ-IVMQYODDSA-N 1 0 300.421 4.072 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000744654197 1051196010 /nfs/dbraw/zinc/19/60/10/1051196010.db2.gz BINRJHVUOXFJIK-MSOLQXFVSA-N 1 0 308.510 4.212 20 30 DIEDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001170387233 1051196023 /nfs/dbraw/zinc/19/60/23/1051196023.db2.gz SBGIQQIVFSAEFR-QZTJIDSGSA-N 1 0 314.473 4.169 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001170378475 1051199292 /nfs/dbraw/zinc/19/92/92/1051199292.db2.gz CQVBTOFWOQQXKE-XVAXZDLZSA-N 1 0 324.468 4.036 20 30 DIEDRO C[C@]1(CF)CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378767 1051199984 /nfs/dbraw/zinc/19/99/84/1051199984.db2.gz KNWRDQIFLGLUMB-JLAWEPINSA-N 1 0 300.421 4.072 20 30 DIEDRO C=C[C@@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1 ZINC001171740686 1051216681 /nfs/dbraw/zinc/21/66/81/1051216681.db2.gz KVOXWLXQFGZZDK-DZFGPLHGSA-N 1 0 306.453 4.166 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@@H]1Cc2cccc(F)c2C1)c1cccc(C#N)c1 ZINC001171783014 1051217156 /nfs/dbraw/zinc/21/71/56/1051217156.db2.gz IIKYPVXQCZNALH-YLJYHZDGSA-N 1 0 308.400 4.151 20 30 DIEDRO CC(C)C[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000792976051 1051234014 /nfs/dbraw/zinc/23/40/14/1051234014.db2.gz LOJCGIKATJDFQY-MSOLQXFVSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nn1 ZINC001171921041 1051235322 /nfs/dbraw/zinc/23/53/22/1051235322.db2.gz QSUOHZSJMKJPAJ-APWZRJJASA-N 1 0 323.440 4.493 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001171920822 1051241424 /nfs/dbraw/zinc/24/14/24/1051241424.db2.gz OCIZQRJPUOOWDS-GXTWGEPZSA-N 1 0 309.356 4.233 20 30 DIEDRO C#CC(CC)(CC)[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171962864 1051246126 /nfs/dbraw/zinc/24/61/26/1051246126.db2.gz FJLQYNZWQRQXQO-LJQANCHMSA-N 1 0 312.501 4.211 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC#Cc1ccccc1 ZINC001171961177 1051246838 /nfs/dbraw/zinc/24/68/38/1051246838.db2.gz RJHOAJFJKVVAHS-HNNXBMFYSA-N 1 0 317.354 4.278 20 30 DIEDRO C#CCCC1(CC[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)N=N1 ZINC001171965768 1051247883 /nfs/dbraw/zinc/24/78/83/1051247883.db2.gz SIGTWNPUTXPSPH-CYBMUJFWSA-N 1 0 323.362 4.192 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(Br)c(C)c1 ZINC001171921745 1051252839 /nfs/dbraw/zinc/25/28/39/1051252839.db2.gz WYFXPHBUCDOMHR-HUUCEWRRSA-N 1 0 323.278 4.377 20 30 DIEDRO CC[C@@H](C)CON=C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000793146994 1051254734 /nfs/dbraw/zinc/25/47/34/1051254734.db2.gz XFLHXYVPVUHJOU-VTBWFHPJSA-N 1 0 302.462 4.480 20 30 DIEDRO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC001171937250 1051254799 /nfs/dbraw/zinc/25/47/99/1051254799.db2.gz MFJNGFYQWVZXBN-QGZVFWFLSA-N 1 0 313.401 4.059 20 30 DIEDRO N#Cc1cccc(Nc2cccc(C[NH+]3CCCCC3)c2F)c1 ZINC001215677428 1051295808 /nfs/dbraw/zinc/29/58/08/1051295808.db2.gz PBCKTSIAASLWOX-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172103796 1051297411 /nfs/dbraw/zinc/29/74/11/1051297411.db2.gz YSEHZZCNNNHHEA-BJWYYQGGSA-N 1 0 322.493 4.205 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000793515720 1051305808 /nfs/dbraw/zinc/30/58/08/1051305808.db2.gz IWCBORQGXYEAOW-IRXDYDNUSA-N 1 0 312.461 4.443 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000793521148 1051306689 /nfs/dbraw/zinc/30/66/89/1051306689.db2.gz BURXDSPXCQEWCE-JKSUJKDBSA-N 1 0 304.482 4.180 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000793521825 1051307676 /nfs/dbraw/zinc/30/76/76/1051307676.db2.gz YDNJZOWLZBUPQZ-KRWDZBQOSA-N 1 0 302.462 4.357 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000793555728 1051319414 /nfs/dbraw/zinc/31/94/14/1051319414.db2.gz CBPBKSXNWHQWSQ-FUHWJXTLSA-N 1 0 303.494 4.436 20 30 DIEDRO Cc1ncc(C#N)cc1Nc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001215711357 1051319754 /nfs/dbraw/zinc/31/97/54/1051319754.db2.gz PKLRSFIFHHRBCK-UHFFFAOYSA-N 1 0 324.403 4.130 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000793529850 1051321252 /nfs/dbraw/zinc/32/12/52/1051321252.db2.gz XTOVNNKKEGRHDB-HZPDHXFCSA-N 1 0 314.473 4.381 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2ccc(F)c(C#N)c2)c1 ZINC001215725654 1051324850 /nfs/dbraw/zinc/32/48/50/1051324850.db2.gz FVLUNHADXPDBLV-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CCC1([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CCC(F)(F)CC1 ZINC001172300657 1051331763 /nfs/dbraw/zinc/33/17/63/1051331763.db2.gz ZLAHLQVHEQLPKO-AWEZNQCLSA-N 1 0 306.400 4.437 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC001172302457 1051331844 /nfs/dbraw/zinc/33/18/44/1051331844.db2.gz KBCJNUDWPJLLHT-HNNXBMFYSA-N 1 0 324.855 4.464 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001172301976 1051332155 /nfs/dbraw/zinc/33/21/55/1051332155.db2.gz ZNRYCUICKULZCZ-DJJJIMSYSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172301157 1051332395 /nfs/dbraw/zinc/33/23/95/1051332395.db2.gz LFFZLVRVSZEQIU-HUUCEWRRSA-N 1 0 312.844 4.363 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301158 1051332431 /nfs/dbraw/zinc/33/24/31/1051332431.db2.gz LFFZLVRVSZEQIU-LSDHHAIUSA-N 1 0 312.844 4.363 20 30 DIEDRO CCCOc1cccc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172302124 1051332441 /nfs/dbraw/zinc/33/24/41/1051332441.db2.gz DTBXLOCPTSINDR-INIZCTEOSA-N 1 0 308.425 4.068 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001172306678 1051334140 /nfs/dbraw/zinc/33/41/40/1051334140.db2.gz KYEGLDIRPVJTNV-LAUBAEHRSA-N 1 0 304.437 4.054 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172302961 1051334467 /nfs/dbraw/zinc/33/44/67/1051334467.db2.gz UKAIHIYBBGHSFQ-QGZVFWFLSA-N 1 0 322.452 4.109 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001172307937 1051334930 /nfs/dbraw/zinc/33/49/30/1051334930.db2.gz RFEJLRGRKQEVJX-CRAIPNDOSA-N 1 0 308.400 4.118 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172311043 1051335187 /nfs/dbraw/zinc/33/51/87/1051335187.db2.gz NSBUPYUQPBNIBM-JXFKEZNVSA-N 1 0 305.425 4.030 20 30 DIEDRO CC(C)[N@H+](CC(=O)c1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311405 1051335307 /nfs/dbraw/zinc/33/53/07/1051335307.db2.gz SLUKIVNGRDYJTG-KRWDZBQOSA-N 1 0 320.436 4.083 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172307973 1051335538 /nfs/dbraw/zinc/33/55/38/1051335538.db2.gz RSUHBKQURUXOAS-IIBYNOLFSA-N 1 0 320.436 4.335 20 30 DIEDRO CC(C)[N@H+](CC(=O)c1ccccc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311406 1051335616 /nfs/dbraw/zinc/33/56/16/1051335616.db2.gz SLUKIVNGRDYJTG-QGZVFWFLSA-N 1 0 320.436 4.083 20 30 DIEDRO CCCCCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746207377 1051335921 /nfs/dbraw/zinc/33/59/21/1051335921.db2.gz FUHYGHBFVJABJS-MJGOQNOKSA-N 1 0 320.521 4.212 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001172309223 1051336254 /nfs/dbraw/zinc/33/62/54/1051336254.db2.gz SHHZXIOJDGSMBK-ZNOIYHFQSA-N 1 0 310.828 4.288 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001172311191 1051336282 /nfs/dbraw/zinc/33/62/82/1051336282.db2.gz QPKPCGJGMUCQIO-INIZCTEOSA-N 1 0 304.437 4.283 20 30 DIEDRO CCCCCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746207376 1051336466 /nfs/dbraw/zinc/33/64/66/1051336466.db2.gz FUHYGHBFVJABJS-IEBWSBKVSA-N 1 0 320.521 4.212 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC001172316533 1051337418 /nfs/dbraw/zinc/33/74/18/1051337418.db2.gz UFUXLZLZULVXMZ-AWEZNQCLSA-N 1 0 321.449 4.231 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001172315932 1051337711 /nfs/dbraw/zinc/33/77/11/1051337711.db2.gz PMZMERADWDXUOA-AWEZNQCLSA-N 1 0 304.384 4.001 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001172311514 1051338034 /nfs/dbraw/zinc/33/80/34/1051338034.db2.gz SUSVJHIJMSXFMC-OAHLLOKOSA-N 1 0 316.404 4.294 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001172315933 1051338412 /nfs/dbraw/zinc/33/84/12/1051338412.db2.gz PMZMERADWDXUOA-CQSZACIVSA-N 1 0 304.384 4.001 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172318456 1051340273 /nfs/dbraw/zinc/34/02/73/1051340273.db2.gz GEGDYHRFEIDQLD-IERDGZPVSA-N 1 0 320.436 4.335 20 30 DIEDRO C#CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC001172319798 1051340304 /nfs/dbraw/zinc/34/03/04/1051340304.db2.gz RKLHBIDLCVNSCD-HTAPYJJXSA-N 1 0 314.432 4.112 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2cc(F)c(C#N)cc2F)cc1 ZINC001215745627 1051340527 /nfs/dbraw/zinc/34/05/27/1051340527.db2.gz ZBUOIAOCSYXZKB-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2c(F)cc(C#N)cc2F)cc1 ZINC001215745609 1051340639 /nfs/dbraw/zinc/34/06/39/1051340639.db2.gz YEFGHMNPWWQKRJ-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001172317431 1051340722 /nfs/dbraw/zinc/34/07/22/1051340722.db2.gz RHBLKPADQZGKME-HRAATJIYSA-N 1 0 322.427 4.335 20 30 DIEDRO COc1ccc(C#N)c(Nc2ccc(C[NH2+]CC(C)C)cc2)c1 ZINC001215745632 1051341188 /nfs/dbraw/zinc/34/11/88/1051341188.db2.gz ZIKMVASDJSITGU-UHFFFAOYSA-N 1 0 309.413 4.056 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001172320542 1051342056 /nfs/dbraw/zinc/34/20/56/1051342056.db2.gz VOHIGQQMTOZALF-OXJNMPFZSA-N 1 0 322.477 4.279 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)Cc1ccc(F)cc1 ZINC001172290516 1051346785 /nfs/dbraw/zinc/34/67/85/1051346785.db2.gz QTOJFTOLWIJLCM-HNNXBMFYSA-N 1 0 310.416 4.239 20 30 DIEDRO Cc1cc(C)cc(OC[C@@H](C)[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172290898 1051347268 /nfs/dbraw/zinc/34/72/68/1051347268.db2.gz UGMSZBKNKUJWKH-QZTJIDSGSA-N 1 0 322.452 4.163 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)ccc(Cl)c1F ZINC001172289755 1051347395 /nfs/dbraw/zinc/34/73/95/1051347395.db2.gz HMLGIRSULLHHQK-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001172291520 1051347524 /nfs/dbraw/zinc/34/75/24/1051347524.db2.gz ZTHURKJPVMJIIL-GNHYQHMMSA-N 1 0 321.468 4.273 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(Cl)c(F)cc1F ZINC001172293140 1051349499 /nfs/dbraw/zinc/34/94/99/1051349499.db2.gz BPPVOGHNAXSREL-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc2ccccc2cc1O ZINC001172295120 1051349567 /nfs/dbraw/zinc/34/95/67/1051349567.db2.gz ASUFNGSHLGROQH-HNNXBMFYSA-N 1 0 316.404 4.138 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)Cc1ccccc1F ZINC001172295746 1051349963 /nfs/dbraw/zinc/34/99/63/1051349963.db2.gz DNEBOXWZHVIIEC-OAHLLOKOSA-N 1 0 310.416 4.239 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCc1cccc(Cl)c1 ZINC001172293145 1051350119 /nfs/dbraw/zinc/35/01/19/1051350119.db2.gz BQFMFAAHWNXMIN-OAHLLOKOSA-N 1 0 312.844 4.365 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172297660 1051350766 /nfs/dbraw/zinc/35/07/66/1051350766.db2.gz QSJCTMZWAJLNIM-DLBZAZTESA-N 1 0 320.436 4.405 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1cccc(F)c1)C1CC1 ZINC001172299315 1051350925 /nfs/dbraw/zinc/35/09/25/1051350925.db2.gz JNYACEZYKDZJRL-VLIAUNLRSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001172299236 1051351197 /nfs/dbraw/zinc/35/11/97/1051351197.db2.gz GIMULVYDUZSQIS-UPRAQXHNSA-N 1 0 310.828 4.288 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001172299244 1051351445 /nfs/dbraw/zinc/35/14/45/1051351445.db2.gz GIMULVYDUZSQIS-ZNZDAUKMSA-N 1 0 310.828 4.288 20 30 DIEDRO COc1ccccc1CC(C)(C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172298079 1051351602 /nfs/dbraw/zinc/35/16/02/1051351602.db2.gz CKFKIYVKGKKOBZ-MRXNPFEDSA-N 1 0 322.452 4.109 20 30 DIEDRO COc1ccccc1CC(C)(C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172298078 1051351790 /nfs/dbraw/zinc/35/17/90/1051351790.db2.gz CKFKIYVKGKKOBZ-INIZCTEOSA-N 1 0 322.452 4.109 20 30 DIEDRO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001172341733 1051362981 /nfs/dbraw/zinc/36/29/81/1051362981.db2.gz IAVUEPZIAZCEAA-TXPKVOOTSA-N 1 0 302.462 4.439 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC001172345710 1051365032 /nfs/dbraw/zinc/36/50/32/1051365032.db2.gz BUSNDXCVSDLKGB-KRWDZBQOSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ncccc1C(=O)OC ZINC001172351847 1051368242 /nfs/dbraw/zinc/36/82/42/1051368242.db2.gz WSHPPTVTBMVMHU-HNNXBMFYSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H]1c2ccccc2CNC1=O ZINC001172350812 1051368833 /nfs/dbraw/zinc/36/88/33/1051368833.db2.gz PWXIFNRUMAQJKH-WMZOPIPTSA-N 1 0 302.462 4.086 20 30 DIEDRO CCCCCCC[C@H](CC)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001172355594 1051369528 /nfs/dbraw/zinc/36/95/28/1051369528.db2.gz OZLDFGRPYAAUJW-JKSUJKDBSA-N 1 0 304.482 4.099 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CCc2onc(COC)c2C1 ZINC001172355676 1051370253 /nfs/dbraw/zinc/37/02/53/1051370253.db2.gz QSLWXLOEDRYUPR-HNNXBMFYSA-N 1 0 308.466 4.318 20 30 DIEDRO CCCCCCC[C@H](CC)[N@H+](C)Cc1nnc2ccccn21 ZINC001172359588 1051371554 /nfs/dbraw/zinc/37/15/54/1051371554.db2.gz YQVKASGKLOEHHG-INIZCTEOSA-N 1 0 302.466 4.300 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccc2c(c1)CC(=O)N2 ZINC001172359543 1051372367 /nfs/dbraw/zinc/37/23/67/1051372367.db2.gz YCOJANBFGAEKOI-KRWDZBQOSA-N 1 0 302.462 4.410 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001172356916 1051372886 /nfs/dbraw/zinc/37/28/86/1051372886.db2.gz ZQHPCPPTYGPNBZ-PKOBYXMFSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001172359934 1051374311 /nfs/dbraw/zinc/37/43/11/1051374311.db2.gz GKAJFYGACZOBQU-MOPGFXCFSA-N 1 0 310.526 4.457 20 30 DIEDRO CCCCCCC[C@H](CC)N(c1ccncn1)C1CC[NH2+]CC1 ZINC001172360065 1051374493 /nfs/dbraw/zinc/37/44/93/1051374493.db2.gz ITHWHUKVFRQHOQ-KRWDZBQOSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001172362319 1051375047 /nfs/dbraw/zinc/37/50/47/1051375047.db2.gz VHJZYSLYSSVRNU-MRXNPFEDSA-N 1 0 310.482 4.090 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC001172370033 1051378820 /nfs/dbraw/zinc/37/88/20/1051378820.db2.gz UIHDYCPHMXWUSL-JMSVASOKSA-N 1 0 310.363 4.491 20 30 DIEDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000766350679 1051397368 /nfs/dbraw/zinc/39/73/68/1051397368.db2.gz NXEIXCROLZISEY-JKSUJKDBSA-N 1 0 307.441 4.426 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)c1cccc(C#N)c1 ZINC000766350912 1051398019 /nfs/dbraw/zinc/39/80/19/1051398019.db2.gz PERNRGHVDNGZMP-CVEARBPZSA-N 1 0 316.408 4.156 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000389191125 1051398261 /nfs/dbraw/zinc/39/82/61/1051398261.db2.gz OIBFXHZHWUPWDY-UHFFFAOYSA-N 1 0 319.246 4.443 20 30 DIEDRO COc1cccc([C@H]([NH2+][C@H](C)CCCC#N)c2ccccc2)c1 ZINC001172486441 1051403467 /nfs/dbraw/zinc/40/34/67/1051403467.db2.gz BYNRNQHYABDPSF-OXQOHEQNSA-N 1 0 308.425 4.457 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](c1cncc(C(F)(F)F)c1)C1CC1 ZINC001172486538 1051403541 /nfs/dbraw/zinc/40/35/41/1051403541.db2.gz GAOFFLFLRCCONH-ABAIWWIYSA-N 1 0 311.351 4.223 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000766351612 1051403519 /nfs/dbraw/zinc/40/35/19/1051403519.db2.gz TWBKDZIRTNHLDK-IFXJQAMLSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC001172486681 1051403824 /nfs/dbraw/zinc/40/38/24/1051403824.db2.gz CQHOQOVVIAALLQ-WBMJQRKESA-N 1 0 321.262 4.498 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC001172481200 1051403840 /nfs/dbraw/zinc/40/38/40/1051403840.db2.gz QMXJBIUVCWRCPP-ZJUUUORDSA-N 1 0 301.253 4.244 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC001172485384 1051404534 /nfs/dbraw/zinc/40/45/34/1051404534.db2.gz POMRWLPZACGROJ-GHMZBOCLSA-N 1 0 313.214 4.321 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC001172488594 1051416624 /nfs/dbraw/zinc/41/66/24/1051416624.db2.gz UWZLQILSHCMWTF-MNOVXSKESA-N 1 0 313.214 4.321 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC001172488595 1051416840 /nfs/dbraw/zinc/41/68/40/1051416840.db2.gz UWZLQILSHCMWTF-QWRGUYRKSA-N 1 0 313.214 4.321 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc(Br)c1Cl ZINC001172489695 1051416991 /nfs/dbraw/zinc/41/69/91/1051416991.db2.gz YSEAOTWMRSNLGU-JTQLQIEISA-N 1 0 315.642 4.274 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC001172489627 1051417109 /nfs/dbraw/zinc/41/71/09/1051417109.db2.gz XAJAANQWEINFHD-HNNXBMFYSA-N 1 0 320.864 4.060 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC2(C[C@H](c3ccccc3)CO2)CC1 ZINC001172495321 1051418113 /nfs/dbraw/zinc/41/81/13/1051418113.db2.gz PCFRXHNPXTUJIE-MJGOQNOKSA-N 1 0 312.457 4.107 20 30 DIEDRO COc1cccc2c1CC[C@H](CCC[NH2+][C@H](C)CCCC#N)C2 ZINC001172492344 1051418186 /nfs/dbraw/zinc/41/81/86/1051418186.db2.gz MTUGJMOYTAKSIS-SJORKVTESA-N 1 0 314.473 4.252 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](CC1CCOCC1)c1ccccc1 ZINC001172492335 1051418912 /nfs/dbraw/zinc/41/89/12/1051418912.db2.gz MMYVKWZUBTXYGL-APWZRJJASA-N 1 0 300.446 4.216 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2ccc3nc(C#N)ccc3c2)CC1(C)C ZINC001170452724 1051419758 /nfs/dbraw/zinc/41/97/58/1051419758.db2.gz ASZVDFVZSZQDGI-UHFFFAOYSA-N 1 0 322.456 4.170 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCOC2(CCOCC2)C1 ZINC001172500580 1051419869 /nfs/dbraw/zinc/41/98/69/1051419869.db2.gz AORZQGYXVZJNQZ-SFHVURJKSA-N 1 0 311.510 4.397 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC(c2noc3ccc(F)cc32)CC1 ZINC001172500330 1051420499 /nfs/dbraw/zinc/42/04/99/1051420499.db2.gz MBXMDDNANRQLBN-ZDUSSCGKSA-N 1 0 315.392 4.229 20 30 DIEDRO C[C@@H](CCCC#N)[N@H+](C)Cc1cccc(Br)c1F ZINC001172503061 1051422040 /nfs/dbraw/zinc/42/20/40/1051422040.db2.gz XXXWRUXUBQIPRJ-NSHDSACASA-N 1 0 313.214 4.102 20 30 DIEDRO CCCCCCCC[C@@H](CC)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001172504059 1051422452 /nfs/dbraw/zinc/42/24/52/1051422452.db2.gz CDHWZRLXWXLNAX-SJORKVTESA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001172503746 1051422558 /nfs/dbraw/zinc/42/25/58/1051422558.db2.gz AMJZDJZNJHWAEH-QZTJIDSGSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@H](CC)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001172504056 1051422577 /nfs/dbraw/zinc/42/25/77/1051422577.db2.gz CDHWZRLXWXLNAX-DLBZAZTESA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC(N2CCOC2=O)CC1 ZINC001172503715 1051422593 /nfs/dbraw/zinc/42/25/93/1051422593.db2.gz AECPVAAVFXYTOX-QGZVFWFLSA-N 1 0 324.509 4.432 20 30 DIEDRO CCCCCCC[C@H](CCC)n1cnc(C[NH3+])c1C(=O)OCC ZINC001172502509 1051422699 /nfs/dbraw/zinc/42/26/99/1051422699.db2.gz QSYGRWGSVHWBCE-HNNXBMFYSA-N 1 0 323.481 4.220 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001172505489 1051423941 /nfs/dbraw/zinc/42/39/41/1051423941.db2.gz NZCOEYGQTIFQKK-WMZOPIPTSA-N 1 0 310.482 4.090 20 30 DIEDRO C[C@H](CCCC#N)[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC001172508361 1051424220 /nfs/dbraw/zinc/42/42/20/1051424220.db2.gz CJRDRGOJICFZEA-QZWWFDLISA-N 1 0 320.477 4.044 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCN(CCCOC)CC1 ZINC001172505412 1051424385 /nfs/dbraw/zinc/42/43/85/1051424385.db2.gz MSDRAISZKTXAPC-LJQANCHMSA-N 1 0 312.542 4.170 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001172507781 1051424480 /nfs/dbraw/zinc/42/44/80/1051424480.db2.gz BLSIYEAUIYMANP-JKSUJKDBSA-N 1 0 305.453 4.465 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000766440166 1051424773 /nfs/dbraw/zinc/42/47/73/1051424773.db2.gz UDPUUXFDRCOENM-CYGHRXIMSA-N 1 0 300.446 4.282 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001172505518 1051424964 /nfs/dbraw/zinc/42/49/64/1051424964.db2.gz OMTHMFNWQCGTMJ-QGZVFWFLSA-N 1 0 320.477 4.487 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001172509327 1051426896 /nfs/dbraw/zinc/42/68/96/1051426896.db2.gz WEWMGFCKPHLLGE-CVEARBPZSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC001172510713 1051426995 /nfs/dbraw/zinc/42/69/95/1051426995.db2.gz IAGSKVVQYJTKGG-PMACEKPBSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCC[C@@H](CCCC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001172512267 1051427855 /nfs/dbraw/zinc/42/78/55/1051427855.db2.gz CBWQDMPBVOFDCV-XHSDSOJGSA-N 1 0 300.487 4.025 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2cc(Cl)ccc2CC#N)CC1(C)C ZINC001170454710 1051428315 /nfs/dbraw/zinc/42/83/15/1051428315.db2.gz UXIIPHRGOQJCBE-UHFFFAOYSA-N 1 0 319.880 4.469 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CCC2=CCCCCC2)cc1 ZINC000766471529 1051428384 /nfs/dbraw/zinc/42/83/84/1051428384.db2.gz XFLDCYQTAVIICQ-UHFFFAOYSA-N 1 0 311.473 4.407 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172511767 1051429045 /nfs/dbraw/zinc/42/90/45/1051429045.db2.gz WPHWXKGBOHEGEY-IAGOWNOFSA-N 1 0 317.539 4.025 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCC(C)(O)CC2)cc1 ZINC000766478955 1051434436 /nfs/dbraw/zinc/43/44/36/1051434436.db2.gz JOSHNLNLQLDXHQ-MXWWQKGMSA-N 1 0 323.864 4.162 20 30 DIEDRO CCCCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CNC(=O)C1 ZINC001172565515 1051444991 /nfs/dbraw/zinc/44/49/91/1051444991.db2.gz JNNHJZZCPHNKGH-MSOLQXFVSA-N 1 0 310.526 4.412 20 30 DIEDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3cc(C#N)ccn3)C2)cc1 ZINC001168967799 1051481676 /nfs/dbraw/zinc/48/16/76/1051481676.db2.gz BFVWACWPFAYAOZ-IBGZPJMESA-N 1 0 319.452 4.141 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3Cc4ccc(Cl)cc4C3)(CC1)CC2 ZINC001172710916 1051493336 /nfs/dbraw/zinc/49/33/36/1051493336.db2.gz RJHGGBGVUUHEPF-AOCRQIFASA-N 1 0 300.833 4.013 20 30 DIEDRO CC(C)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001169063642 1051502858 /nfs/dbraw/zinc/50/28/58/1051502858.db2.gz ZOFNAXXGYHBWLY-LJQANCHMSA-N 1 0 310.416 4.444 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCOC2)cc1 ZINC000766583936 1051517231 /nfs/dbraw/zinc/51/72/31/1051517231.db2.gz XYBKCADSCANJPD-OWCLPIDISA-N 1 0 323.864 4.284 20 30 DIEDRO Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCc3c1cccc3C#N)CC2 ZINC001172833108 1051520087 /nfs/dbraw/zinc/52/00/87/1051520087.db2.gz WXTGJKRAODGDTE-GHTZIAJQSA-N 1 0 302.421 4.001 20 30 DIEDRO C=CCc1cc(C)cnc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169142281 1051533289 /nfs/dbraw/zinc/53/32/89/1051533289.db2.gz MGIKPOLWXWDPED-LPHOPBHVSA-N 1 0 301.478 4.074 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccccc1C#N ZINC001172847094 1051533912 /nfs/dbraw/zinc/53/39/12/1051533912.db2.gz ZNJQEYGMAPBQHT-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO CC1(C)C[C@@H](Nc2ccc3nc(C#N)ccc3c2)C[C@@](C)(C[NH3+])C1 ZINC001169153320 1051536759 /nfs/dbraw/zinc/53/67/59/1051536759.db2.gz RYJMCQBBMGEPOS-YLJYHZDGSA-N 1 0 322.456 4.062 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H]2C ZINC001169162019 1051540068 /nfs/dbraw/zinc/54/00/68/1051540068.db2.gz AOUBTOCGQPFVQL-HOTGVXAUSA-N 1 0 320.436 4.383 20 30 DIEDRO C=CCCCCC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001169198467 1051543752 /nfs/dbraw/zinc/54/37/52/1051543752.db2.gz YEDVYGLFUYJFJR-UHFFFAOYSA-N 1 0 324.871 4.343 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC001172881623 1051563681 /nfs/dbraw/zinc/56/36/81/1051563681.db2.gz JGYZLYVJBIUPQF-ZDUSSCGKSA-N 1 0 308.878 4.446 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001172883421 1051567616 /nfs/dbraw/zinc/56/76/16/1051567616.db2.gz UNJGUTBVPOUDAV-ZIAGYGMSSA-N 1 0 308.878 4.446 20 30 DIEDRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCCCC#N ZINC000178645267 1051579079 /nfs/dbraw/zinc/57/90/79/1051579079.db2.gz VBIXMJYQIPDLEK-NWDGAFQWSA-N 1 0 315.244 4.433 20 30 DIEDRO C=C[C@@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001172962933 1051581784 /nfs/dbraw/zinc/58/17/84/1051581784.db2.gz HXSGJAXIEUSYCA-NVXWUHKLSA-N 1 0 318.461 4.149 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001169365222 1051589581 /nfs/dbraw/zinc/58/95/81/1051589581.db2.gz HHFZGAWJNJOYRJ-RTWAWAEBSA-N 1 0 304.437 4.102 20 30 DIEDRO C[C@H]1C[C@H](Nc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c2ccccc21 ZINC001169372703 1051592929 /nfs/dbraw/zinc/59/29/29/1051592929.db2.gz AGZWVJJYFXEVRN-CZOCKUPHSA-N 1 0 318.424 4.440 20 30 DIEDRO Cc1c2[nH+]c[nH]c2ccc1N[C@](C)(C#N)c1ccccc1Cl ZINC001169380829 1051598344 /nfs/dbraw/zinc/59/83/44/1051598344.db2.gz JSQCCDPXHPIGQW-QGZVFWFLSA-N 1 0 310.788 4.376 20 30 DIEDRO CCCOC1CCC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001173096901 1051601774 /nfs/dbraw/zinc/60/17/74/1051601774.db2.gz VDKZHUWUPZDKDQ-UHFFFAOYSA-N 1 0 306.837 4.039 20 30 DIEDRO CCC[N@H+](CCC#N)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084561 1051605106 /nfs/dbraw/zinc/60/51/06/1051605106.db2.gz SUNYJBHJABYNSP-CYBMUJFWSA-N 1 0 314.351 4.142 20 30 DIEDRO O=C1C=C2C[N@H+](C3CCC4(CCCCC4)CC3)CCC2S1 ZINC001173116328 1051614130 /nfs/dbraw/zinc/61/41/30/1051614130.db2.gz MANGALGQFSUDKP-INIZCTEOSA-N 1 0 305.487 4.154 20 30 DIEDRO C#CCCC[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000766727567 1051621865 /nfs/dbraw/zinc/62/18/65/1051621865.db2.gz GHQWUKYKTHJDAC-LJQANCHMSA-N 1 0 313.828 4.441 20 30 DIEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001170478064 1051623698 /nfs/dbraw/zinc/62/36/98/1051623698.db2.gz AFMGZVOPEVFVPT-LJQANCHMSA-N 1 0 300.446 4.228 20 30 DIEDRO C#CCCC[NH2+][C@@H](c1ccccc1Cl)c1ccccc1OC ZINC000766729375 1051628454 /nfs/dbraw/zinc/62/84/54/1051628454.db2.gz OSTVHAPIGVHRAR-IBGZPJMESA-N 1 0 313.828 4.441 20 30 DIEDRO N#Cc1ccc(CC[NH2+]C2CCC(Oc3ccccc3)CC2)cc1 ZINC001173197484 1051629134 /nfs/dbraw/zinc/62/91/34/1051629134.db2.gz FUTYVIBANSLRGB-UHFFFAOYSA-N 1 0 320.436 4.081 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cc(C#N)cc(C(F)(F)F)c2)c1F ZINC001216223565 1051631299 /nfs/dbraw/zinc/63/12/99/1051631299.db2.gz GBYAJRCTEQGQIF-UHFFFAOYSA-N 1 0 323.293 4.179 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2sc3c(c2C#N)CCCC3)c1F ZINC001216220629 1051632093 /nfs/dbraw/zinc/63/20/93/1051632093.db2.gz NHNJTNQGKMKUMN-UHFFFAOYSA-N 1 0 315.417 4.101 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1(CC)CC ZINC001169570921 1051646986 /nfs/dbraw/zinc/64/69/86/1051646986.db2.gz ZPPXMFIOPIJVLC-ROUUACIJSA-N 1 0 319.876 4.265 20 30 DIEDRO CCc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cl)c(C#N)c2)cc1 ZINC001173248454 1051653940 /nfs/dbraw/zinc/65/39/40/1051653940.db2.gz GWGANWZQAAXNTJ-CQSZACIVSA-N 1 0 312.844 4.495 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@@H](CCCC)CC(C)C)C2)C1=O ZINC001173263274 1051663316 /nfs/dbraw/zinc/66/33/16/1051663316.db2.gz VNKSBDFINDCAMQ-ICSRJNTNSA-N 1 0 320.521 4.092 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(OCCC#N)cc1 ZINC001169691789 1051673738 /nfs/dbraw/zinc/67/37/38/1051673738.db2.gz QYKQQIDHUMUGNV-IBGZPJMESA-N 1 0 321.424 4.219 20 30 DIEDRO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1cccc2[nH]ccc21 ZINC000494019276 1051677921 /nfs/dbraw/zinc/67/79/21/1051677921.db2.gz SMRWWQIWMQNHHX-UHFFFAOYSA-N 1 0 308.812 4.305 20 30 DIEDRO C=C(C)COCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000494021108 1051681225 /nfs/dbraw/zinc/68/12/25/1051681225.db2.gz SCIJWLYQFDGSFX-UHFFFAOYSA-N 1 0 317.379 4.237 20 30 DIEDRO CCCCCCCC[C@H](CCC)n1[nH]c(=O)c(CC[NH3+])c1C ZINC001173309307 1051682043 /nfs/dbraw/zinc/68/20/43/1051682043.db2.gz GZLMCOMHUGKMOM-INIZCTEOSA-N 1 0 309.498 4.490 20 30 DIEDRO CCCCCCCC[C@@H](CCC)n1[nH]c(=O)c(CC[NH3+])c1C ZINC001173309308 1051682062 /nfs/dbraw/zinc/68/20/62/1051682062.db2.gz GZLMCOMHUGKMOM-MRXNPFEDSA-N 1 0 309.498 4.490 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+]C1CCN(C2COC2)CC1 ZINC001173309266 1051682098 /nfs/dbraw/zinc/68/20/98/1051682098.db2.gz GRIDGPAJAWLJMV-SFHVURJKSA-N 1 0 324.553 4.359 20 30 DIEDRO C=CCOC1CCC(N(CC[NH3+])c2cccc3ccccc32)CC1 ZINC001173308760 1051682388 /nfs/dbraw/zinc/68/23/88/1051682388.db2.gz NAXDQVFUTYULSP-UHFFFAOYSA-N 1 0 324.468 4.119 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC001173312934 1051683619 /nfs/dbraw/zinc/68/36/19/1051683619.db2.gz NIXUPCMSLMFPTA-UHFFFAOYSA-N 1 0 324.262 4.053 20 30 DIEDRO C=CCOC1CCC(n2cc(CC[NH3+])c3ccc(C)cc32)CC1 ZINC001173313055 1051684298 /nfs/dbraw/zinc/68/42/98/1051684298.db2.gz QWTKFCILUMGISD-UHFFFAOYSA-N 1 0 312.457 4.137 20 30 DIEDRO C=CCCCC[NH+]1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC001169724193 1051684584 /nfs/dbraw/zinc/68/45/84/1051684584.db2.gz MGIXFGRTRYITOA-UHFFFAOYSA-N 1 0 321.436 4.321 20 30 DIEDRO CC[C@H]1CC[C@@H]([NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001173282806 1051686580 /nfs/dbraw/zinc/68/65/80/1051686580.db2.gz HPTXRRHLJDCVJG-JKSUJKDBSA-N 1 0 300.421 4.262 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C1(CO)CCOCC1 ZINC001173284152 1051687726 /nfs/dbraw/zinc/68/77/26/1051687726.db2.gz CUWLQFQCELNJGH-SFHVURJKSA-N 1 0 313.526 4.427 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C[C@H]1CCNC(=O)C1 ZINC001173285167 1051688296 /nfs/dbraw/zinc/68/82/96/1051688296.db2.gz OUWIAXCYMFKVTB-ROUUACIJSA-N 1 0 310.526 4.412 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001173326433 1051692677 /nfs/dbraw/zinc/69/26/77/1051692677.db2.gz HLSYXWAHYBSUGR-IVMQYODDSA-N 1 0 303.421 4.129 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001173328023 1051694492 /nfs/dbraw/zinc/69/44/92/1051694492.db2.gz XVNPMGPSOYLVBP-CTWPCTMYSA-N 1 0 317.498 4.290 20 30 DIEDRO C=CCOC1CCC([N@@H+](C)Cc2csc(C(C)C)n2)CC1 ZINC001173326652 1051694673 /nfs/dbraw/zinc/69/46/73/1051694673.db2.gz LYWMHWRIYILOPJ-UHFFFAOYSA-N 1 0 308.491 4.212 20 30 DIEDRO N#CCC1CCC([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC001173329097 1051695137 /nfs/dbraw/zinc/69/51/37/1051695137.db2.gz ANCHGTKWBWNKNU-QUDVFMAMSA-N 1 0 312.457 4.186 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC001173327978 1051695658 /nfs/dbraw/zinc/69/56/58/1051695658.db2.gz LYOBTKVZLJOZFD-UHFFFAOYSA-N 1 0 307.235 4.011 20 30 DIEDRO CC[N@H+](Cc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc1)C(C)C ZINC000805901535 1051697433 /nfs/dbraw/zinc/69/74/33/1051697433.db2.gz OUDKZNSYULUQLB-OAHLLOKOSA-N 1 0 316.445 4.012 20 30 DIEDRO C[N@H+](Cc1ccc(Br)cc1)C1CCC(CC#N)CC1 ZINC001173335342 1051697592 /nfs/dbraw/zinc/69/75/92/1051697592.db2.gz IKPYWOYWNUEJBB-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO COc1cccc(CC(C)(C)C[NH2+]C2CCC(CC#N)CC2)c1 ZINC001173332044 1051697864 /nfs/dbraw/zinc/69/78/64/1051697864.db2.gz GTVWGOZJAOGFQW-UHFFFAOYSA-N 1 0 314.473 4.326 20 30 DIEDRO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)C1CCC(CC#N)CC1 ZINC001173339341 1051698775 /nfs/dbraw/zinc/69/87/75/1051698775.db2.gz FVNYXIFXEDMORX-KVZIAJEVSA-N 1 0 312.457 4.442 20 30 DIEDRO N#CCC1CCC([N@@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001173338015 1051698865 /nfs/dbraw/zinc/69/88/65/1051698865.db2.gz VIBCHOXUZRVIBO-UUKMXZOPSA-N 1 0 312.457 4.140 20 30 DIEDRO N#CC1(c2ccc(NCC34CC[NH+](CC3)CC4)cc2)CCCCC1 ZINC001169796491 1051700736 /nfs/dbraw/zinc/70/07/36/1051700736.db2.gz OQHJUWHXEFKZMG-UHFFFAOYSA-N 1 0 323.484 4.310 20 30 DIEDRO C=CCOC1CCC(N2CCC[C@H]([NH3+])c3cc(C)ccc32)CC1 ZINC001173314392 1051707968 /nfs/dbraw/zinc/70/79/68/1051707968.db2.gz PQRVOYUGODIJJD-TVPLGVNVSA-N 1 0 314.473 4.109 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001173314703 1051709201 /nfs/dbraw/zinc/70/92/01/1051709201.db2.gz UJUOUTUTFQDWDF-WTNGLUPJSA-N 1 0 307.384 4.056 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001173314519 1051709716 /nfs/dbraw/zinc/70/97/16/1051709716.db2.gz RLBIWTYWOYDWNU-NNGSBXSVSA-N 1 0 307.865 4.374 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2c(F)cc(Cl)cc2F)CC1 ZINC001173316256 1051710566 /nfs/dbraw/zinc/71/05/66/1051710566.db2.gz ZFBUXWCANRYGPH-UHFFFAOYSA-N 1 0 315.791 4.222 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001173318320 1051710827 /nfs/dbraw/zinc/71/08/27/1051710827.db2.gz ZIMZNUIAJMVJJF-DQPZFDDXSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](C)c2ccc(OCC)cc2)CC1 ZINC001173317110 1051710947 /nfs/dbraw/zinc/71/09/47/1051710947.db2.gz AYHIWFNHBVYHKZ-LSJNQWAISA-N 1 0 303.446 4.250 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(c3ccc(F)cc3F)CC2)CC1 ZINC001173317576 1051711435 /nfs/dbraw/zinc/71/14/35/1051711435.db2.gz FWQKEUIVYBJVDF-UHFFFAOYSA-N 1 0 307.384 4.057 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC1 ZINC001173315855 1051711499 /nfs/dbraw/zinc/71/14/99/1051711499.db2.gz AMWQDLMHBPXBOG-NFOMZHRRSA-N 1 0 309.400 4.438 20 30 DIEDRO C=CC[C@H]1[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCCC1(C)C ZINC001169843241 1051712064 /nfs/dbraw/zinc/71/20/64/1051712064.db2.gz AMKVZUILQFWSQY-QGZVFWFLSA-N 1 0 318.417 4.040 20 30 DIEDRO C=CCOC1CCC([NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001173319536 1051713584 /nfs/dbraw/zinc/71/35/84/1051713584.db2.gz LTMKCWXHLIZCDR-UHFFFAOYSA-N 1 0 313.485 4.455 20 30 DIEDRO C=CC[C@H]1[N@H+](CC(=O)N(C)CC2CCCCC2)CCCC1(C)C ZINC001169845889 1051713983 /nfs/dbraw/zinc/71/39/83/1051713983.db2.gz YBQIBASAHKYARJ-GOSISDBHSA-N 1 0 320.521 4.092 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001169865051 1051721576 /nfs/dbraw/zinc/72/15/76/1051721576.db2.gz XFDBACITBSUHFZ-IUODEOHRSA-N 1 0 300.229 4.067 20 30 DIEDRO C#CCCC[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000766895855 1051738303 /nfs/dbraw/zinc/73/83/03/1051738303.db2.gz TXUAYUZAPPTZBX-UHFFFAOYSA-N 1 0 311.469 4.193 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000806174944 1051745578 /nfs/dbraw/zinc/74/55/78/1051745578.db2.gz QLHFLZUCMPLEED-HZPDHXFCSA-N 1 0 313.363 4.073 20 30 DIEDRO C=C[C@@H]([NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1)c1ccccc1 ZINC001173614102 1051753296 /nfs/dbraw/zinc/75/32/96/1051753296.db2.gz ONDXJUVQQSRLIJ-SFANZJOMSA-N 1 0 313.441 4.015 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001173591516 1051755474 /nfs/dbraw/zinc/75/54/74/1051755474.db2.gz SUSYOLYAOSXOHW-CGZBRXJRSA-N 1 0 303.837 4.248 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000185073213 1051755268 /nfs/dbraw/zinc/75/52/68/1051755268.db2.gz VMOPPWRPESESHE-MRXNPFEDSA-N 1 0 300.446 4.213 20 30 DIEDRO CC1(C#N)CCC(n2c3ccccc3c3c2CC[C@H]([NH3+])C3)CC1 ZINC001173588660 1051755944 /nfs/dbraw/zinc/75/59/44/1051755944.db2.gz IYSIWCGJCDTYLT-BQTBQCLESA-N 1 0 307.441 4.102 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001173590875 1051756132 /nfs/dbraw/zinc/75/61/32/1051756132.db2.gz DSSPWCCDXUMQBY-PWZRNIHTSA-N 1 0 303.837 4.248 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC001173595918 1051757592 /nfs/dbraw/zinc/75/75/92/1051757592.db2.gz BONUFYYEPZPAQS-UHFFFAOYSA-N 1 0 316.420 4.141 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001173596047 1051757810 /nfs/dbraw/zinc/75/78/10/1051757810.db2.gz HSYGAIFBZDGIJF-UHFFFAOYSA-N 1 0 300.421 4.478 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000806168141 1051766394 /nfs/dbraw/zinc/76/63/94/1051766394.db2.gz VJRSYIVQVDOELN-INIZCTEOSA-N 1 0 315.461 4.003 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000806167631 1051768993 /nfs/dbraw/zinc/76/89/93/1051768993.db2.gz CBQUVPDJXJLLPB-INIZCTEOSA-N 1 0 316.445 4.430 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000806177247 1051772082 /nfs/dbraw/zinc/77/20/82/1051772082.db2.gz WVGJPZJGKZWVCA-SFHVURJKSA-N 1 0 300.446 4.074 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173653956 1051776577 /nfs/dbraw/zinc/77/65/77/1051776577.db2.gz PXLYZKZRPRUORE-RTBURBONSA-N 1 0 315.457 4.187 20 30 DIEDRO N#Cc1ccccc1C[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687430 1051778293 /nfs/dbraw/zinc/77/82/93/1051778293.db2.gz MRJKSTYLRVFSML-UHFFFAOYSA-N 1 0 316.448 4.475 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173687616 1051778305 /nfs/dbraw/zinc/77/83/05/1051778305.db2.gz PFGKPGGMSFBXSG-VEZHDMIOSA-N 1 0 308.469 4.485 20 30 DIEDRO SC1CC[NH+](C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173689120 1051780643 /nfs/dbraw/zinc/78/06/43/1051780643.db2.gz GUBBLGPMIZAQBD-UHFFFAOYSA-N 1 0 301.499 4.207 20 30 DIEDRO CC1CC[NH+](Cc2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185724961 1051781173 /nfs/dbraw/zinc/78/11/73/1051781173.db2.gz PYVRNJQIODWDQC-UYAOXDASSA-N 1 0 311.473 4.413 20 30 DIEDRO N#CCCC[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173707853 1051785266 /nfs/dbraw/zinc/78/52/66/1051785266.db2.gz MQQPHFIHDSBFMM-HXUWFJFHSA-N 1 0 320.436 4.016 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000185848188 1051786870 /nfs/dbraw/zinc/78/68/70/1051786870.db2.gz ULEFXMYXZZFQPE-DCAQKATOSA-N 1 0 317.380 4.285 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185858909 1051789256 /nfs/dbraw/zinc/78/92/56/1051789256.db2.gz QNSPLHMZTZZZSO-VNHYZAJKSA-N 1 0 321.262 4.052 20 30 DIEDRO CSc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001173811629 1051790284 /nfs/dbraw/zinc/79/02/84/1051790284.db2.gz KMQFPQSJOVMYII-UHFFFAOYSA-N 1 0 315.467 4.073 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000767371743 1051797580 /nfs/dbraw/zinc/79/75/80/1051797580.db2.gz ZUFOIVPRVOHBMZ-ZVDOUQERSA-N 1 0 320.436 4.261 20 30 DIEDRO C[C@@H](C#N)c1ccc(Nc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001216553466 1051816096 /nfs/dbraw/zinc/81/60/96/1051816096.db2.gz BTKHPNQILKGASQ-HNNXBMFYSA-N 1 0 302.381 4.302 20 30 DIEDRO C=C(C)[C@@H](NC1CC[NH+](CCC)CC1)c1ccc(F)c(F)c1 ZINC000186451299 1051818505 /nfs/dbraw/zinc/81/85/05/1051818505.db2.gz CPZBHQZBALWRNC-GOSISDBHSA-N 1 0 308.416 4.046 20 30 DIEDRO Cc1cc(O)c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1C ZINC000767987533 1051870854 /nfs/dbraw/zinc/87/08/54/1051870854.db2.gz RGXPGPBWYBTWMG-UHFFFAOYSA-N 1 0 318.420 4.170 20 30 DIEDRO CCOc1ccc(C[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000768162315 1051888843 /nfs/dbraw/zinc/88/88/43/1051888843.db2.gz AGKPNSXZMVPPTJ-MRXNPFEDSA-N 1 0 324.424 4.008 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)Cc2ccccc21 ZINC000768195065 1051900032 /nfs/dbraw/zinc/90/00/32/1051900032.db2.gz KJCCMYZYTTWPKB-KRWDZBQOSA-N 1 0 319.452 4.156 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000768194836 1051901273 /nfs/dbraw/zinc/90/12/73/1051901273.db2.gz GDYQJESDNMDORH-JKSUJKDBSA-N 1 0 306.409 4.097 20 30 DIEDRO Cc1ccccc1C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000768252833 1051909248 /nfs/dbraw/zinc/90/92/48/1051909248.db2.gz SJOKXHSNFLHVDJ-KRWDZBQOSA-N 1 0 320.436 4.451 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2c(O)cccc2Cl)C2CC2)cc1 ZINC000768258742 1051909539 /nfs/dbraw/zinc/90/95/39/1051909539.db2.gz WPWKDGQAWJEGIW-UHFFFAOYSA-N 1 0 312.800 4.082 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001170527578 1051910582 /nfs/dbraw/zinc/91/05/82/1051910582.db2.gz KPMDHFCGDCMHJL-SFHVURJKSA-N 1 0 305.849 4.297 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1O ZINC000768335146 1051919049 /nfs/dbraw/zinc/91/90/49/1051919049.db2.gz WCTHPOSZPBKLPV-UHFFFAOYSA-N 1 0 314.816 4.328 20 30 DIEDRO CSCC[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768403096 1051925424 /nfs/dbraw/zinc/92/54/24/1051925424.db2.gz NOKBWZXDUZCGCG-ZLPCBKJTSA-N 1 0 302.487 4.122 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OCC)ccc1O ZINC000768483448 1051933876 /nfs/dbraw/zinc/93/38/76/1051933876.db2.gz IRBWPDYUBRKVBA-UHFFFAOYSA-N 1 0 324.424 4.075 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(C)(C)CC(C)(C)C2)cc1 ZINC000768532019 1051940554 /nfs/dbraw/zinc/94/05/54/1051940554.db2.gz KBRFGUYYJBNYCN-HNNXBMFYSA-N 1 0 300.446 4.236 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000768530780 1051941103 /nfs/dbraw/zinc/94/11/03/1051941103.db2.gz NJBWBCKUYUNOPV-ZDUSSCGKSA-N 1 0 320.314 4.160 20 30 DIEDRO C=CCCCC[N@H+](Cc1cnn(Cc2ccccc2)c1)C(C)C ZINC001168466363 1051944001 /nfs/dbraw/zinc/94/40/01/1051944001.db2.gz NJFHVLLFZABZCM-UHFFFAOYSA-N 1 0 311.473 4.498 20 30 DIEDRO C=CC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2F)c1C)C(C)C ZINC000768547463 1051943993 /nfs/dbraw/zinc/94/39/93/1051943993.db2.gz NLHAWXHRZJXCEV-UHFFFAOYSA-N 1 0 319.399 4.164 20 30 DIEDRO CC(C)c1ccccc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001174045474 1051964313 /nfs/dbraw/zinc/96/43/13/1051964313.db2.gz GYENWITVWYVKCD-UHFFFAOYSA-N 1 0 311.454 4.475 20 30 DIEDRO N#CCSCCC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191244570 1051966061 /nfs/dbraw/zinc/96/60/61/1051966061.db2.gz UJFQNBIEVCXHFK-UHFFFAOYSA-N 1 0 316.392 4.088 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1 ZINC000768852112 1051969368 /nfs/dbraw/zinc/96/93/68/1051969368.db2.gz VIALLOPNKNXYOI-ACZWYYKOSA-N 1 0 312.457 4.378 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1 ZINC000768852561 1051969835 /nfs/dbraw/zinc/96/98/35/1051969835.db2.gz VIALLOPNKNXYOI-FIYPYCPBSA-N 1 0 312.457 4.378 20 30 DIEDRO N#CCC[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1 ZINC000494602135 1051979932 /nfs/dbraw/zinc/97/99/32/1051979932.db2.gz HZIHELPWJKZZNU-XVAXZDLZSA-N 1 0 320.436 4.369 20 30 DIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C3CC3)cc2)cc(OC)c1O ZINC000191681316 1051982728 /nfs/dbraw/zinc/98/27/28/1051982728.db2.gz UTBRETSCFZVXFI-UHFFFAOYSA-N 1 0 323.436 4.297 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000768957266 1051988272 /nfs/dbraw/zinc/98/82/72/1051988272.db2.gz QVHSXVTZCNVKAA-QZTJIDSGSA-N 1 0 308.510 4.070 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000769006793 1051993057 /nfs/dbraw/zinc/99/30/57/1051993057.db2.gz IGDXBRZEPANTFG-HXUWFJFHSA-N 1 0 311.473 4.191 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769106635 1051996559 /nfs/dbraw/zinc/99/65/59/1051996559.db2.gz VTVMJKDYVRULHW-FOIQADDNSA-N 1 0 322.408 4.020 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)o1 ZINC000769123259 1051999164 /nfs/dbraw/zinc/99/91/64/1051999164.db2.gz YATPYPWJUHNJJI-UHFFFAOYSA-N 1 0 305.381 4.012 20 30 DIEDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000769192219 1052003040 /nfs/dbraw/zinc/00/30/40/1052003040.db2.gz KGBHXNBXTLXYIV-UHFFFAOYSA-N 1 0 305.425 4.190 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)cc1 ZINC000769165956 1052004729 /nfs/dbraw/zinc/00/47/29/1052004729.db2.gz XIVMGFWKCHYKAH-DOTOQJQBSA-N 1 0 300.446 4.378 20 30 DIEDRO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769234537 1052011335 /nfs/dbraw/zinc/01/13/35/1052011335.db2.gz UKAKFIJEUIFXHE-HKUYNNGSSA-N 1 0 320.436 4.275 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H](C)c2ccccc2)cc1 ZINC000769319107 1052024040 /nfs/dbraw/zinc/02/40/40/1052024040.db2.gz PDVJLBYJNALZRB-IAGOWNOFSA-N 1 0 308.425 4.213 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000769337598 1052026710 /nfs/dbraw/zinc/02/67/10/1052026710.db2.gz FVDMQISNUSTINZ-YJBOKZPZSA-N 1 0 324.399 4.106 20 30 DIEDRO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000769335933 1052027113 /nfs/dbraw/zinc/02/71/13/1052027113.db2.gz WEIMLOHCDWWEIC-UHFFFAOYSA-N 1 0 313.489 4.439 20 30 DIEDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000769341452 1052028399 /nfs/dbraw/zinc/02/83/99/1052028399.db2.gz ZWCBKBPTECHRJO-ARFHVFGLSA-N 1 0 300.446 4.376 20 30 DIEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769403277 1052041333 /nfs/dbraw/zinc/04/13/33/1052041333.db2.gz BTLVCHJEWRKEDB-IMFGXOCKSA-N 1 0 311.473 4.189 20 30 DIEDRO C=CCCCCC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000193417979 1052045689 /nfs/dbraw/zinc/04/56/89/1052045689.db2.gz VYLYKLJXWNGYBR-UHFFFAOYSA-N 1 0 315.461 4.019 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769427504 1052048464 /nfs/dbraw/zinc/04/84/64/1052048464.db2.gz MEXRGDIKYDBWPG-KKSFZXQISA-N 1 0 320.436 4.487 20 30 DIEDRO CCC[C@@]1(C)CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769452544 1052058748 /nfs/dbraw/zinc/05/87/48/1052058748.db2.gz XLOGFXIPPSLNIC-LPHOPBHVSA-N 1 0 300.446 4.380 20 30 DIEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769466156 1052059927 /nfs/dbraw/zinc/05/99/27/1052059927.db2.gz IIPNYDAJJALVCO-BXWFABGCSA-N 1 0 300.446 4.378 20 30 DIEDRO N#CCN(Cc1cc(-c2ccccc2)ccc1O)C1CCCC1 ZINC000769466621 1052060336 /nfs/dbraw/zinc/06/03/36/1052060336.db2.gz NSOYHCAPFWNOGC-UHFFFAOYSA-N 1 0 306.409 4.327 20 30 DIEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769506267 1052069998 /nfs/dbraw/zinc/06/99/98/1052069998.db2.gz GHCWSMMMHUETDB-TXPKVOOTSA-N 1 0 300.446 4.378 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000769508560 1052072570 /nfs/dbraw/zinc/07/25/70/1052072570.db2.gz RQMJOPWDXUFJSX-HXUWFJFHSA-N 1 0 323.415 4.123 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)[C@@H](O)c1ccccc1 ZINC000808721994 1052079602 /nfs/dbraw/zinc/07/96/02/1052079602.db2.gz XDKIMXZEMVWPML-IWMITWMQSA-N 1 0 320.436 4.037 20 30 DIEDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000769550053 1052081328 /nfs/dbraw/zinc/08/13/28/1052081328.db2.gz YPLMBZTWHLEXPW-NHCUHLMSSA-N 1 0 319.452 4.024 20 30 DIEDRO N#CC1(c2ccc(Nc3ccc4[nH+]ccn4c3)cc2)CCCC1 ZINC001174277438 1052086575 /nfs/dbraw/zinc/08/65/75/1052086575.db2.gz FJJPNTGHSFUXLJ-UHFFFAOYSA-N 1 0 302.381 4.413 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000769748097 1052106454 /nfs/dbraw/zinc/10/64/54/1052106454.db2.gz WOISYBUOFMLNPX-MOPGFXCFSA-N 1 0 314.473 4.295 20 30 DIEDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000769952214 1052128516 /nfs/dbraw/zinc/12/85/16/1052128516.db2.gz DLDLHWGABLDLKF-HUUCEWRRSA-N 1 0 324.399 4.236 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)n1-c1cccc(C)c1 ZINC000769946504 1052128800 /nfs/dbraw/zinc/12/88/00/1052128800.db2.gz YRJOEIUZFDKZFS-PKOBYXMFSA-N 1 0 307.441 4.184 20 30 DIEDRO C[C@@H]1C[NH2+]CCC[C@@H]1OCc1ccc(-c2ccccc2C#N)cc1 ZINC001217772128 1052139895 /nfs/dbraw/zinc/13/98/95/1052139895.db2.gz ABHDTJCXNYHQJD-IERDGZPVSA-N 1 0 320.436 4.130 20 30 DIEDRO C[C@H]1CC[NH2+]CC[C@@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217786953 1052141085 /nfs/dbraw/zinc/14/10/85/1052141085.db2.gz ICFPRBKMCWYGLI-ZMOLMKESSA-N 1 0 308.425 4.170 20 30 DIEDRO c1ccc(/N=C(/O[C@H]2CCC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC001217796976 1052145207 /nfs/dbraw/zinc/14/52/07/1052145207.db2.gz VHWBZHAPLABCTP-YFJJEWJYSA-N 1 0 320.436 4.314 20 30 DIEDRO c1ccc(/N=C(/O[C@@H]2CCC[C@@]23CC[NH2+]C3)c2ccccc2)cc1 ZINC001217804495 1052146261 /nfs/dbraw/zinc/14/62/61/1052146261.db2.gz XZOYBIPEDMUCGB-ANWQEVEISA-N 1 0 320.436 4.314 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1OC1(Cl)c2ccccc2-c2ccccc21 ZINC001217830829 1052151516 /nfs/dbraw/zinc/15/15/16/1052151516.db2.gz AUJQFCBGXFGIKF-SFHVURJKSA-N 1 0 311.812 4.042 20 30 DIEDRO CCCCCCC[C@@H](C)OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217842028 1052154752 /nfs/dbraw/zinc/15/47/52/1052154752.db2.gz XLHRTHUMIKXKBV-QZTJIDSGSA-N 1 0 311.510 4.301 20 30 DIEDRO C=CCCCCCC[C@@H](C)OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217895285 1052166219 /nfs/dbraw/zinc/16/62/19/1052166219.db2.gz OKHBCPOAQSCCNH-MOPGFXCFSA-N 1 0 323.521 4.467 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCc1nc(-c2ccccc2)cs1 ZINC001217926975 1052172099 /nfs/dbraw/zinc/17/20/99/1052172099.db2.gz NCXXCBSRQZACEN-NVXWUHKLSA-N 1 0 314.454 4.023 20 30 DIEDRO CC1(CO[C@H](C#Cc2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC001217928545 1052172342 /nfs/dbraw/zinc/17/23/42/1052172342.db2.gz PTAQQWUOSOHAQE-OAQYLSRUSA-N 1 0 319.448 4.186 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000494929642 1052172441 /nfs/dbraw/zinc/17/24/41/1052172441.db2.gz JJSIGNLDJLSWIF-UHFFFAOYSA-N 1 0 323.362 4.494 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3CCCC[NH2+]C3)cc2)cc1 ZINC001217970416 1052178115 /nfs/dbraw/zinc/17/81/15/1052178115.db2.gz MXFCDEZDSSXOIS-PPRFWAEMSA-N 1 0 312.388 4.097 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@H]3CCC[NH2+]CC3)cc2)cc1 ZINC001217997803 1052183532 /nfs/dbraw/zinc/18/35/32/1052183532.db2.gz XGYXXBIZMOXPMM-OVBDPADQSA-N 1 0 312.388 4.097 20 30 DIEDRO C[C@H]1C[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)CC[NH2+]1 ZINC001218054725 1052189900 /nfs/dbraw/zinc/18/99/00/1052189900.db2.gz FWOLFXRJFIBXIH-BJICUUOASA-N 1 0 321.420 4.102 20 30 DIEDRO N#Cc1cccc(-c2ccc(O[C@H]3CCC[C@]34CC[NH2+]C4)cc2)c1 ZINC001218093921 1052196076 /nfs/dbraw/zinc/19/60/76/1052196076.db2.gz LXONTYYGWNYONW-LEWJYISDSA-N 1 0 318.420 4.136 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000495004561 1052196228 /nfs/dbraw/zinc/19/62/28/1052196228.db2.gz GUNJVSFMZHZUHI-MAUKXSAKSA-N 1 0 318.436 4.213 20 30 DIEDRO N#Cc1cccc(-c2ccc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)cc2)c1 ZINC001218093923 1052196691 /nfs/dbraw/zinc/19/66/91/1052196691.db2.gz LXONTYYGWNYONW-RTWAWAEBSA-N 1 0 318.420 4.136 20 30 DIEDRO N#Cc1ccc(-c2cccc(O[C@@H]3CCC[C@]34CC[NH2+]C4)c2)cc1 ZINC001218098970 1052197553 /nfs/dbraw/zinc/19/75/53/1052197553.db2.gz ZHZDLSARCFDKMG-NHCUHLMSSA-N 1 0 318.420 4.136 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218185870 1052204341 /nfs/dbraw/zinc/20/43/41/1052204341.db2.gz IXTFVXXBFMXXHU-BWTSREIZSA-N 1 0 306.409 4.099 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1 ZINC001218203046 1052207624 /nfs/dbraw/zinc/20/76/24/1052207624.db2.gz AJGNXTMGERGXBX-FQEVSTJZSA-N 1 0 323.436 4.015 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC001218252862 1052213243 /nfs/dbraw/zinc/21/32/43/1052213243.db2.gz VOINIKNKFDKVCC-ZMYBRWDISA-N 1 0 324.399 4.096 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC001218252860 1052213340 /nfs/dbraw/zinc/21/33/40/1052213340.db2.gz VOINIKNKFDKVCC-KYNGSXCRSA-N 1 0 324.399 4.096 20 30 DIEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2ccccc2)c1C ZINC000914690246 1052217026 /nfs/dbraw/zinc/21/70/26/1052217026.db2.gz OISRZTDVIRYSAB-FQEVSTJZSA-N 1 0 324.472 4.035 20 30 DIEDRO F[C@@H]1[C@H]2CC[C@@H](C[C@@H]1Oc1ccc(/N=C/c3ccccc3)cc1)[NH2+]2 ZINC001218281159 1052217186 /nfs/dbraw/zinc/21/71/86/1052217186.db2.gz VVXGCDJNVIJMAY-XYYGUTLASA-N 1 0 324.399 4.047 20 30 DIEDRO C[NH+](C)Cc1cccc(C/N=C\c2c(O)ccc3ccccc32)c1 ZINC000914701920 1052221376 /nfs/dbraw/zinc/22/13/76/1052221376.db2.gz RRJSLAFNOCQMIF-HMAPJEAMSA-N 1 0 318.420 4.226 20 30 DIEDRO C=C[C@H](CCCCCC)Oc1cccc([C@@H]([NH3+])CC(=O)OC)c1 ZINC001218354436 1052229597 /nfs/dbraw/zinc/22/95/97/1052229597.db2.gz GOKHMVYRDAYHLC-AEFFLSMTSA-N 1 0 319.445 4.153 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3C[NH2+]CCC34CC4)cc2)cc1 ZINC001218403849 1052234819 /nfs/dbraw/zinc/23/48/19/1052234819.db2.gz LOXWHBZAQSPIOD-QNDYCBLQSA-N 1 0 324.399 4.097 20 30 DIEDRO CCC[C@@H](C#Cc1ccccc1)Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218437788 1052238708 /nfs/dbraw/zinc/23/87/08/1052238708.db2.gz AVPKVDSNMNXPMN-SESVDKBCSA-N 1 0 305.421 4.100 20 30 DIEDRO [NH3+]Cc1ccccc1O[C@@H](C#Cc1ccccc1)c1ccccc1 ZINC001218438765 1052238750 /nfs/dbraw/zinc/23/87/50/1052238750.db2.gz LLOIUCZKVVRKMF-QFIPXVFZSA-N 1 0 313.400 4.317 20 30 DIEDRO [NH3+]Cc1ccccc1O[C@H](C#Cc1ccccc1)c1ccccc1 ZINC001218438764 1052239046 /nfs/dbraw/zinc/23/90/46/1052239046.db2.gz LLOIUCZKVVRKMF-JOCHJYFZSA-N 1 0 313.400 4.317 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(-c2ccc(O)cc2)cc1 ZINC001218451557 1052240964 /nfs/dbraw/zinc/24/09/64/1052240964.db2.gz JPXYHFVBFSMVGC-WOJBJXKFSA-N 1 0 309.409 4.135 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccccc1-c1ccccc1O ZINC001218452502 1052241162 /nfs/dbraw/zinc/24/11/62/1052241162.db2.gz ZUBMGSLINYPUNH-YLJYHZDGSA-N 1 0 309.409 4.135 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218455466 1052241557 /nfs/dbraw/zinc/24/15/57/1052241557.db2.gz MMUCWNXWNYHWJT-RTBURBONSA-N 1 0 318.420 4.464 20 30 DIEDRO CC1(C)C[C@H](Oc2cccc(-c3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC001218479045 1052244516 /nfs/dbraw/zinc/24/45/16/1052244516.db2.gz RLDZOLMVJJUTOZ-LJQANCHMSA-N 1 0 306.409 4.135 20 30 DIEDRO CCCCCCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000914764282 1052246607 /nfs/dbraw/zinc/24/66/07/1052246607.db2.gz JOLOJIPOCOBGAX-UHFFFAOYSA-N 1 0 316.489 4.259 20 30 DIEDRO CC(C)(C)c1cc(C#N)ccc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218489789 1052249489 /nfs/dbraw/zinc/24/94/89/1052249489.db2.gz QNOZWUMXXKZCGZ-LJQANCHMSA-N 1 0 306.409 4.079 20 30 DIEDRO N#Cc1c2ccccc2sc1NC(=O)CCCCCCC[NH3+] ZINC001218649150 1052252367 /nfs/dbraw/zinc/25/23/67/1052252367.db2.gz SVVZWWKGZWZKBM-UHFFFAOYSA-N 1 0 315.442 4.011 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cc2ccccc2s1 ZINC001218581555 1052252655 /nfs/dbraw/zinc/25/26/55/1052252655.db2.gz PCRFFYSILHKSLZ-AWEZNQCLSA-N 1 0 302.443 4.304 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cnc(C(C)(C)C)s1 ZINC000495217119 1052257952 /nfs/dbraw/zinc/25/79/52/1052257952.db2.gz HYTYHGQMLGDCHC-UHFFFAOYSA-N 1 0 304.459 4.264 20 30 DIEDRO C=C(C)Cc1ccc(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc1 ZINC001218997511 1052266451 /nfs/dbraw/zinc/26/64/51/1052266451.db2.gz DGLLWKUKZGFSNP-IBGZPJMESA-N 1 0 320.436 4.134 20 30 DIEDRO CC(C)(C)[N@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000761885451 1052266796 /nfs/dbraw/zinc/26/67/96/1052266796.db2.gz DBWMNZOIEFSNEK-UHFFFAOYSA-N 1 0 308.425 4.390 20 30 DIEDRO CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(C)c(F)c1 ZINC001168485110 1052289420 /nfs/dbraw/zinc/28/94/20/1052289420.db2.gz FNZNLPBQHUCQRT-GOSISDBHSA-N 1 0 318.436 4.275 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219825196 1052305443 /nfs/dbraw/zinc/30/54/43/1052305443.db2.gz DZGYPNFOPOBVEM-UKRRQHHQSA-N 1 0 308.491 4.005 20 30 DIEDRO Cc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)ccc1C#N ZINC000487897399 1052320855 /nfs/dbraw/zinc/32/08/55/1052320855.db2.gz MRAIVORLEZZCJO-LJQANCHMSA-N 1 0 308.450 4.157 20 30 DIEDRO Cc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)ccc1C#N ZINC000487897398 1052321396 /nfs/dbraw/zinc/32/13/96/1052321396.db2.gz MRAIVORLEZZCJO-IBGZPJMESA-N 1 0 308.450 4.157 20 30 DIEDRO C=CCCCCCCCCC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775176 1052360568 /nfs/dbraw/zinc/36/05/68/1052360568.db2.gz LPLUNOPFUMMQPU-MOPGFXCFSA-N 1 0 306.494 4.214 20 30 DIEDRO C=C(C)C[NH+]1CCC(NCc2ccc(Cl)cc2Cl)CC1 ZINC000236690112 1052428750 /nfs/dbraw/zinc/42/87/50/1052428750.db2.gz DOVJUFBUYCXKTM-UHFFFAOYSA-N 1 0 313.272 4.124 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)cc1 ZINC000237489571 1052441971 /nfs/dbraw/zinc/44/19/71/1052441971.db2.gz RJSUPLKPBBLPRS-MRXNPFEDSA-N 1 0 311.425 4.068 20 30 DIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2ccc(C#N)cc2)c1C ZINC000609223518 1052465579 /nfs/dbraw/zinc/46/55/79/1052465579.db2.gz ZVFVILMQGHREFK-UHFFFAOYSA-N 1 0 303.409 4.255 20 30 DIEDRO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccccc1C ZINC000153736588 1052479397 /nfs/dbraw/zinc/47/93/97/1052479397.db2.gz MEQZQQHPZITTOS-QGZVFWFLSA-N 1 0 308.425 4.308 20 30 DIEDRO C=CCn1cc(-c2ccc([C@H]3CCCC[N@H+]3CCC)cn2)cn1 ZINC001222382774 1052493910 /nfs/dbraw/zinc/49/39/10/1052493910.db2.gz PHIWVAXMGHVQFJ-LJQANCHMSA-N 1 0 310.445 4.068 20 30 DIEDRO CCCCCCCCN1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001222643994 1052522385 /nfs/dbraw/zinc/52/23/85/1052522385.db2.gz XHSPXOYSIXRNFN-HNNXBMFYSA-N 1 0 320.443 4.353 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001222654792 1052522882 /nfs/dbraw/zinc/52/28/82/1052522882.db2.gz DWECHZRLSHQPNN-UHFFFAOYSA-N 1 0 314.432 4.490 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC001222672900 1052525292 /nfs/dbraw/zinc/52/52/92/1052525292.db2.gz SYMFSCBNEUEEAV-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO CCC(C)(C)C1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763226502 1052548685 /nfs/dbraw/zinc/54/86/85/1052548685.db2.gz ZAFSMHGYYZUNBT-CTWPCTMYSA-N 1 0 314.473 4.176 20 30 DIEDRO Cc1cccc([C@H](C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000153981050 1052607262 /nfs/dbraw/zinc/60/72/62/1052607262.db2.gz AQZZZDXWPXUFDF-SJORKVTESA-N 1 0 308.425 4.179 20 30 DIEDRO Cc1ccc(C)c(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000763382469 1052621031 /nfs/dbraw/zinc/62/10/31/1052621031.db2.gz VFXWMBULDSWPNO-QGZVFWFLSA-N 1 0 308.425 4.226 20 30 DIEDRO CCCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000763405395 1052623996 /nfs/dbraw/zinc/62/39/96/1052623996.db2.gz ABNZSCBVYOQFHK-LJQANCHMSA-N 1 0 300.446 4.026 20 30 DIEDRO CCC1CCC([N@H+](C[C@@H](O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000763396012 1052624175 /nfs/dbraw/zinc/62/41/75/1052624175.db2.gz NZHXTQQQFZEDKU-PKUWUEBNSA-N 1 0 312.457 4.025 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000763409898 1052624751 /nfs/dbraw/zinc/62/47/51/1052624751.db2.gz VFYCWUYEKQCQMH-UXHICEINSA-N 1 0 308.425 4.065 20 30 DIEDRO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000763412503 1052625785 /nfs/dbraw/zinc/62/57/85/1052625785.db2.gz YHBMCKKYFJCLTF-NHCUHLMSSA-N 1 0 320.436 4.127 20 30 DIEDRO N#C[C@@H](O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC001223711204 1052628845 /nfs/dbraw/zinc/62/88/45/1052628845.db2.gz OKNXLXIMKBBZGZ-UYAOXDASSA-N 1 0 324.399 4.072 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H](OCCC)CC2)c1 ZINC000124020629 1052636372 /nfs/dbraw/zinc/63/63/72/1052636372.db2.gz BZVCDTLNQNARLD-GOSISDBHSA-N 1 0 303.446 4.033 20 30 DIEDRO CC(C)[N@@H+]1CC[C@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224091743 1052667178 /nfs/dbraw/zinc/66/71/78/1052667178.db2.gz VILKTLDGJHCUMG-GEXZYOHASA-N 1 0 308.425 4.264 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000917007066 1052679208 /nfs/dbraw/zinc/67/92/08/1052679208.db2.gz XGYCMFJJMPPAAY-FQEVSTJZSA-N 1 0 320.436 4.034 20 30 DIEDRO C=C(C)CCCOC[C@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001224281535 1052685425 /nfs/dbraw/zinc/68/54/25/1052685425.db2.gz LBWYIBJTDIBDRB-LJQANCHMSA-N 1 0 317.473 4.039 20 30 DIEDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](OCCCCCCC#N)C1 ZINC001224376683 1052692906 /nfs/dbraw/zinc/69/29/06/1052692906.db2.gz URAORGSTMTWJRL-ROUUACIJSA-N 1 0 315.461 4.098 20 30 DIEDRO CCN(CCC#N)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000127612523 1052700814 /nfs/dbraw/zinc/70/08/14/1052700814.db2.gz HMCLFRCEZGSYDM-UHFFFAOYSA-N 1 0 324.424 4.106 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCCCC2(C#N)CCC2)C1 ZINC000929963977 1052701713 /nfs/dbraw/zinc/70/17/13/1052701713.db2.gz AKMADTOBTNRNLM-QRVBRYPASA-N 1 0 317.521 4.188 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000128057547 1052707734 /nfs/dbraw/zinc/70/77/34/1052707734.db2.gz TZRQEMNSYGVGDS-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO CCCCCCCO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224620379 1052710199 /nfs/dbraw/zinc/71/01/99/1052710199.db2.gz XJPSJZGUTCENIS-LJQANCHMSA-N 1 0 300.446 4.120 20 30 DIEDRO CC[C@H](COC)OCC[S+](c1ccccc1)c1ccccc1 ZINC001224637584 1052712119 /nfs/dbraw/zinc/71/21/19/1052712119.db2.gz UKUHMMVWSDJLLC-QGZVFWFLSA-N 1 0 317.474 4.165 20 30 DIEDRO C=C(CO[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224733950 1052720981 /nfs/dbraw/zinc/72/09/81/1052720981.db2.gz HPHYWIBTIGVWRI-NRFANRHFSA-N 1 0 307.437 4.381 20 30 DIEDRO C[Si](C)(C)C#C[C@H](OCCC[NH+]1CCCC1)c1ccccc1 ZINC001224744356 1052722281 /nfs/dbraw/zinc/72/22/81/1052722281.db2.gz JZDCJEFSGRIHPA-IBGZPJMESA-N 1 0 315.533 4.111 20 30 DIEDRO C#CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H]1CCc2ccccc21 ZINC000917455906 1052729722 /nfs/dbraw/zinc/72/97/22/1052729722.db2.gz CFKUSEFNXASLKZ-FQEVSTJZSA-N 1 0 305.421 4.132 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(CC#N)cc1 ZINC001225266551 1052766382 /nfs/dbraw/zinc/76/63/82/1052766382.db2.gz LKLPSJQPDXXACY-LAUBAEHRSA-N 1 0 320.436 4.042 20 30 DIEDRO CCC[C@H](C#Cc1ccccc1)Oc1ccc(C[NH+](C)C)cc1 ZINC001225332202 1052775512 /nfs/dbraw/zinc/77/55/12/1052775512.db2.gz JHMLYXQLAKWUSB-HXUWFJFHSA-N 1 0 307.437 4.347 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](Oc2ccc(C[NH+](C)C)cc2)C(C)(C)O1 ZINC001225335374 1052776331 /nfs/dbraw/zinc/77/63/31/1052776331.db2.gz ZZWPAOWUJUQGFK-MJGOQNOKSA-N 1 0 303.446 4.029 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccccc1Br ZINC000129357280 1052783781 /nfs/dbraw/zinc/78/37/81/1052783781.db2.gz TVYOATLZPJHMPK-LLVKDONJSA-N 1 0 300.265 4.019 20 30 DIEDRO COc1ccccc1[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000609280894 1052806255 /nfs/dbraw/zinc/80/62/55/1052806255.db2.gz UORIDMMCWCKWAJ-LJQANCHMSA-N 1 0 324.399 4.433 20 30 DIEDRO N#Cc1cccc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)c1 ZINC000498351847 1052820716 /nfs/dbraw/zinc/82/07/16/1052820716.db2.gz DVEODOZPTQRLIW-UHFFFAOYSA-N 1 0 314.791 4.172 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)CC2 ZINC000556211386 1052821069 /nfs/dbraw/zinc/82/10/69/1052821069.db2.gz CIFWUHGAZMKDFZ-RTWAWAEBSA-N 1 0 302.421 4.329 20 30 DIEDRO Cc1ccc(C)c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001225802986 1052833157 /nfs/dbraw/zinc/83/31/57/1052833157.db2.gz FMEFPWNLRUNBNQ-HXUWFJFHSA-N 1 0 320.436 4.137 20 30 DIEDRO C=CCSCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000556384975 1052845090 /nfs/dbraw/zinc/84/50/90/1052845090.db2.gz BYSUPBJEIQALNY-UHFFFAOYSA-N 1 0 324.902 4.472 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1Br)C1CCCC1 ZINC000556508840 1052858248 /nfs/dbraw/zinc/85/82/48/1052858248.db2.gz RIIASYXJBOMADD-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO COc1cc(C)c(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000194973203 1052877550 /nfs/dbraw/zinc/87/75/50/1052877550.db2.gz OSHLBOBGOUITBT-OAHLLOKOSA-N 1 0 324.424 4.077 20 30 DIEDRO COc1cc(C)c(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000194973186 1052877711 /nfs/dbraw/zinc/87/77/11/1052877711.db2.gz OSHLBOBGOUITBT-HNNXBMFYSA-N 1 0 324.424 4.077 20 30 DIEDRO CC(C)c1ccc(C#N)c(OC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001226353301 1052887972 /nfs/dbraw/zinc/88/79/72/1052887972.db2.gz ADJDLCYPOLQYGD-UHFFFAOYSA-N 1 0 315.461 4.107 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2cc(N)[nH+]c3ccccc32)O1 ZINC001226423425 1052895219 /nfs/dbraw/zinc/89/52/19/1052895219.db2.gz XBFBJUMFNKCDDX-LPHOPBHVSA-N 1 0 312.413 4.098 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccccc2)c1O ZINC000919935310 1052904904 /nfs/dbraw/zinc/90/49/04/1052904904.db2.gz FXKMJRHBCIFBJT-UHFFFAOYSA-N 1 0 311.425 4.151 20 30 DIEDRO Cc1cc(C#N)cc(C)c1OC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001226525863 1052906473 /nfs/dbraw/zinc/90/64/73/1052906473.db2.gz GARNHWIICYLJGG-UHFFFAOYSA-N 1 0 300.446 4.205 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](C)Cc2ccc(OC)c(F)c2)c1 ZINC000920489641 1052942354 /nfs/dbraw/zinc/94/23/54/1052942354.db2.gz OCTHANUAMAEZPA-UHFFFAOYSA-N 1 0 315.388 4.031 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000920810015 1052951510 /nfs/dbraw/zinc/95/15/10/1052951510.db2.gz XGFRAQLVWMTEMH-KURKYZTESA-N 1 0 308.510 4.211 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000921207887 1052964572 /nfs/dbraw/zinc/96/45/72/1052964572.db2.gz LYKSMAFQLFPQFH-SFHVURJKSA-N 1 0 308.510 4.214 20 30 DIEDRO CCC(CC)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609432739 1052977132 /nfs/dbraw/zinc/97/71/32/1052977132.db2.gz OEIHBDLSAPZITO-UHFFFAOYSA-N 1 0 308.425 4.415 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609741583 1052990498 /nfs/dbraw/zinc/99/04/98/1052990498.db2.gz SFKGWTWMOBWVQT-INIZCTEOSA-N 1 0 306.409 4.191 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCCO1 ZINC000609766758 1052990633 /nfs/dbraw/zinc/99/06/33/1052990633.db2.gz OBXDTEXHRANACF-UHFFFAOYSA-N 1 0 320.436 4.226 20 30 DIEDRO C[C@@H](C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000609739053 1052990707 /nfs/dbraw/zinc/99/07/07/1052990707.db2.gz TZYRWSLNJLQRGU-KRWDZBQOSA-N 1 0 320.436 4.205 20 30 DIEDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1C(=O)/C=C/c1ccccc1 ZINC001227435501 1052991463 /nfs/dbraw/zinc/99/14/63/1052991463.db2.gz WNGJJPOBSMXENS-IAOULYHDSA-N 1 0 324.444 4.056 20 30 DIEDRO Cc1cc(C)c(C)c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001227505473 1052996598 /nfs/dbraw/zinc/99/65/98/1052996598.db2.gz FDCNISXCYPIEEM-HXUWFJFHSA-N 1 0 320.436 4.137 20 30 DIEDRO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000064632219 1052997444 /nfs/dbraw/zinc/99/74/44/1052997444.db2.gz PQTAUCRIBFIEOV-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000610001812 1053002299 /nfs/dbraw/zinc/00/22/99/1053002299.db2.gz BQMBZWBCXOQPLB-MAUKXSAKSA-N 1 0 308.400 4.384 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237570393 1053012561 /nfs/dbraw/zinc/01/25/61/1053012561.db2.gz YDEIXSDFTXGZIN-JTQLQIEISA-N 1 0 306.749 4.172 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237565111 1053012724 /nfs/dbraw/zinc/01/27/24/1053012724.db2.gz ULHGPMUVXNUWSZ-QGZVFWFLSA-N 1 0 322.452 4.353 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000237606977 1053015416 /nfs/dbraw/zinc/01/54/16/1053015416.db2.gz DBAJJYUVBDMUPT-QRWLVFNGSA-N 1 0 306.409 4.218 20 30 DIEDRO Cc1cc(C#N)cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001227839244 1053020430 /nfs/dbraw/zinc/02/04/30/1053020430.db2.gz XHBMZWORACRCME-DYESRHJHSA-N 1 0 320.436 4.156 20 30 DIEDRO Cc1cc(C#N)cc(O[C@H](c2ccccc2)[C@H](C)[NH+]2CCCC2)c1 ZINC001227837550 1053020447 /nfs/dbraw/zinc/02/04/47/1053020447.db2.gz ZHGCBSQZKBGJFE-UWJYYQICSA-N 1 0 320.436 4.471 20 30 DIEDRO N#Cc1cc(C[NH2+]C2(c3cccc(Cl)c3)CC2)ccc1F ZINC000179668669 1053021673 /nfs/dbraw/zinc/02/16/73/1053021673.db2.gz TXMBPMODUNQHJP-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cc(F)ccc1F ZINC000179777914 1053026685 /nfs/dbraw/zinc/02/66/85/1053026685.db2.gz UOWPRLFOQHOOAC-KRWDZBQOSA-N 1 0 304.315 4.216 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccc(F)c(F)c1 ZINC000615759416 1053030634 /nfs/dbraw/zinc/03/06/34/1053030634.db2.gz VHSAVMAWUSKPNP-LJQANCHMSA-N 1 0 312.363 4.046 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCC2CC2)c1 ZINC000237836540 1053031966 /nfs/dbraw/zinc/03/19/66/1053031966.db2.gz BBWZJOZZBLDGGD-UHFFFAOYSA-N 1 0 306.409 4.027 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000179907843 1053034721 /nfs/dbraw/zinc/03/47/21/1053034721.db2.gz WKICIEGUGCDRRZ-OAQYLSRUSA-N 1 0 319.452 4.156 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H](C)c1ccccc1 ZINC000180542155 1053065573 /nfs/dbraw/zinc/06/55/73/1053065573.db2.gz ONENZOPMQIWUPU-ZACQAIPSSA-N 1 0 308.425 4.432 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000616770541 1053071620 /nfs/dbraw/zinc/07/16/20/1053071620.db2.gz WTWWNMPDYSAWAR-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO COc1ccc(Cl)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000616770538 1053071895 /nfs/dbraw/zinc/07/18/95/1053071895.db2.gz UXDULZVOVHHPJJ-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OCC ZINC000069060680 1053108515 /nfs/dbraw/zinc/10/85/15/1053108515.db2.gz APHSTLJYHDFTMG-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000180991758 1053119477 /nfs/dbraw/zinc/11/94/77/1053119477.db2.gz WSHXIEGKXVBRLI-OAHLLOKOSA-N 1 0 318.829 4.277 20 30 DIEDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC001228499160 1053119548 /nfs/dbraw/zinc/11/95/48/1053119548.db2.gz SZOUGJFCNOWFGR-VMEIHUARSA-N 1 0 324.444 4.056 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C1 ZINC001228499875 1053120613 /nfs/dbraw/zinc/12/06/13/1053120613.db2.gz ZORNDDJFFYFUCL-RDPWEWGOSA-N 1 0 321.420 4.056 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C1 ZINC001228499862 1053121358 /nfs/dbraw/zinc/12/13/58/1053121358.db2.gz ZORNDDJFFYFUCL-IXDOJHRFSA-N 1 0 321.420 4.056 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC001474660254 1053124946 /nfs/dbraw/zinc/12/49/46/1053124946.db2.gz HHOZQVIVYQOTDC-UHFFFAOYSA-N 1 0 309.837 4.209 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c(OC)c1 ZINC001317701327 1053126833 /nfs/dbraw/zinc/12/68/33/1053126833.db2.gz JKUAOLFOPUFZQX-SJORKVTESA-N 1 0 315.457 4.141 20 30 DIEDRO C=CCC(CC=C)Oc1ccc(Br)c(CN(C)C)c1 ZINC001228549098 1053132287 /nfs/dbraw/zinc/13/22/87/1053132287.db2.gz QBZQLMYHVRIRPO-UHFFFAOYSA-N 1 0 324.262 4.410 20 30 DIEDRO CCOc1ccc2c(c1)C[N@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC001318635190 1053179098 /nfs/dbraw/zinc/17/90/98/1053179098.db2.gz SGTWIZLIOVEDKA-HNNXBMFYSA-N 1 0 306.409 4.076 20 30 DIEDRO C#C[C@H](CCC)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228830104 1053188081 /nfs/dbraw/zinc/18/80/81/1053188081.db2.gz NYQIMGCYRNSZSH-MRXNPFEDSA-N 1 0 310.441 4.158 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCCSCC#N)cc1 ZINC000080629402 1053198384 /nfs/dbraw/zinc/19/83/84/1053198384.db2.gz OSPZTIULRDMNTI-ROUUACIJSA-N 1 0 302.487 4.210 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1 ZINC000181398762 1053201864 /nfs/dbraw/zinc/20/18/64/1053201864.db2.gz OXLMIPXQWOVUHU-APWZRJJASA-N 1 0 323.440 4.029 20 30 DIEDRO C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000181420597 1053205460 /nfs/dbraw/zinc/20/54/60/1053205460.db2.gz HXHBWYPNOAVLNE-SJORKVTESA-N 1 0 308.425 4.377 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Oc1ccc2c(c1)CC[N@@H+](C)C2 ZINC001228945346 1053211580 /nfs/dbraw/zinc/21/15/80/1053211580.db2.gz UHFRYDOYLAAIPZ-MRXNPFEDSA-N 1 0 323.436 4.379 20 30 DIEDRO CC(C)(C)[NH+]1CCC(Oc2ccc3ccc(C#N)cc3c2)CC1 ZINC001228968001 1053214595 /nfs/dbraw/zinc/21/45/95/1053214595.db2.gz GFGOZFZZXSDOAX-UHFFFAOYSA-N 1 0 308.425 4.353 20 30 DIEDRO C[NH+](C)C1CCC(Oc2ccc(C#N)cc2C(C)(C)C)CC1 ZINC001228995945 1053220403 /nfs/dbraw/zinc/22/04/03/1053220403.db2.gz JEXMSVOITXASCS-UHFFFAOYSA-N 1 0 300.446 4.107 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)c1cccc(C#N)c1 ZINC000181489025 1053222532 /nfs/dbraw/zinc/22/25/32/1053222532.db2.gz ZVDOWOIGHGCYPO-OAHLLOKOSA-N 1 0 321.424 4.125 20 30 DIEDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC001319241103 1053230129 /nfs/dbraw/zinc/23/01/29/1053230129.db2.gz WJHQVWFEDVQFOE-HZPDHXFCSA-N 1 0 302.487 4.204 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)C1CC1 ZINC000090657162 1053238603 /nfs/dbraw/zinc/23/86/03/1053238603.db2.gz XVKBXMNWAODFAH-RBUKOAKNSA-N 1 0 301.474 4.123 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Nc2ccccc2)CC1 ZINC001319370004 1053239060 /nfs/dbraw/zinc/23/90/60/1053239060.db2.gz FTTCADVMVYOFMV-MRXNPFEDSA-N 1 0 305.425 4.196 20 30 DIEDRO Cc1cccc(C#N)c1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001229182400 1053269230 /nfs/dbraw/zinc/26/92/30/1053269230.db2.gz FQDMQXGQPMKTHO-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1cccc(C#N)c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229180657 1053269500 /nfs/dbraw/zinc/26/95/00/1053269500.db2.gz AJVLMOWGNHLVKF-FXAWDEMLSA-N 1 0 320.436 4.156 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+]Cc2cccc(OCC#N)c2)C(C)C)cc1 ZINC001319784158 1053273062 /nfs/dbraw/zinc/27/30/62/1053273062.db2.gz LVEMGDYBTFFALB-NRFANRHFSA-N 1 0 322.452 4.254 20 30 DIEDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC001319829508 1053278660 /nfs/dbraw/zinc/27/86/60/1053278660.db2.gz YDXVFWJSHBCFCH-WMZOPIPTSA-N 1 0 318.486 4.085 20 30 DIEDRO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1 ZINC000181709508 1053282321 /nfs/dbraw/zinc/28/23/21/1053282321.db2.gz OFKDPDRVFDPPTL-ZDUSSCGKSA-N 1 0 313.470 4.206 20 30 DIEDRO C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)c1cccc(C#N)c1 ZINC000181725301 1053285730 /nfs/dbraw/zinc/28/57/30/1053285730.db2.gz GNMCZQLNUIODJG-OAHLLOKOSA-N 1 0 303.409 4.323 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1cccc(C#N)c1 ZINC000181773242 1053290834 /nfs/dbraw/zinc/29/08/34/1053290834.db2.gz CNWLUCMHYWNSRV-QGTPRVQTSA-N 1 0 300.446 4.050 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc2cc(OC)ccc2o1)c1ccccc1 ZINC000763499773 1053291040 /nfs/dbraw/zinc/29/10/40/1053291040.db2.gz VLVDCRCHGWNJSL-LJQANCHMSA-N 1 0 305.377 4.296 20 30 DIEDRO Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181828356 1053297154 /nfs/dbraw/zinc/29/71/54/1053297154.db2.gz BUJZILQWXJKFOA-IAGOWNOFSA-N 1 0 324.424 4.016 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1cccc(C#N)c1 ZINC000181837873 1053298386 /nfs/dbraw/zinc/29/83/86/1053298386.db2.gz WDVYKIMKZBNUHN-CVEARBPZSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccc(C#N)cc1 ZINC000181837791 1053298443 /nfs/dbraw/zinc/29/84/43/1053298443.db2.gz KZLHWPQLOOWOPT-CVEARBPZSA-N 1 0 316.408 4.156 20 30 DIEDRO C=CCc1ccc(O)c(O[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001229338868 1053301051 /nfs/dbraw/zinc/30/10/51/1053301051.db2.gz OWNWPGMUJWRJIQ-KKSFZXQISA-N 1 0 323.436 4.020 20 30 DIEDRO C=CCc1ccc(O)c(O[C@H](CC[NH+](C)C)c2ccccc2)c1 ZINC001229338776 1053301692 /nfs/dbraw/zinc/30/16/92/1053301692.db2.gz MSMAEMBDSGMRBB-LJQANCHMSA-N 1 0 311.425 4.193 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C1 ZINC001229354850 1053304716 /nfs/dbraw/zinc/30/47/16/1053304716.db2.gz ZYFCTHHVMOGSIN-IOVUBPJKSA-N 1 0 312.388 4.049 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3C[NH+]4CCC3CC4)cc2)cc1 ZINC001229357856 1053306268 /nfs/dbraw/zinc/30/62/68/1053306268.db2.gz YVZRENMFYBOXAQ-CCULFSDZSA-N 1 0 324.399 4.049 20 30 DIEDRO CC(C)N1CC(Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229374401 1053308483 /nfs/dbraw/zinc/30/84/83/1053308483.db2.gz KYDQHPPWZHFIDL-UHFFFAOYSA-N 1 0 312.388 4.048 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1Br ZINC001236860340 1053312462 /nfs/dbraw/zinc/31/24/62/1053312462.db2.gz HCOWJUBYTPJORF-CZUORRHYSA-N 1 0 319.246 4.085 20 30 DIEDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000181933366 1053313263 /nfs/dbraw/zinc/31/32/63/1053313263.db2.gz HGIOEGDNYNDOQY-KRWDZBQOSA-N 1 0 322.452 4.435 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1cccc(C#N)c1 ZINC000181973755 1053319309 /nfs/dbraw/zinc/31/93/09/1053319309.db2.gz LXJNKPWSXHCGRG-HNNXBMFYSA-N 1 0 306.409 4.340 20 30 DIEDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC001229435128 1053319826 /nfs/dbraw/zinc/31/98/26/1053319826.db2.gz ZGLLZDQWRTXIRM-OBHPCNEJSA-N 1 0 324.444 4.056 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)C1 ZINC000618562635 1053323896 /nfs/dbraw/zinc/32/38/96/1053323896.db2.gz SNNCMJDPRNGUCP-RDJZCZTQSA-N 1 0 307.397 4.046 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+]([C@H](CC)c2ccc(Br)cc2)C1 ZINC001320320876 1053325486 /nfs/dbraw/zinc/32/54/86/1053325486.db2.gz KHINYDUIYITYKN-HZPDHXFCSA-N 1 0 324.262 4.177 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1F ZINC000618578762 1053325883 /nfs/dbraw/zinc/32/58/83/1053325883.db2.gz XATPFDIHWXDRLW-CHWSQXEVSA-N 1 0 308.828 4.429 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(C#N)c1 ZINC000618569865 1053326158 /nfs/dbraw/zinc/32/61/58/1053326158.db2.gz AZFVXXXNSVINNV-DJJJIMSYSA-N 1 0 321.380 4.195 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000618575532 1053327442 /nfs/dbraw/zinc/32/74/42/1053327442.db2.gz OREHLOKXSIOCBX-ZJOBFFGXSA-N 1 0 306.837 4.088 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC001320427560 1053333440 /nfs/dbraw/zinc/33/34/40/1053333440.db2.gz GKZBAQIHTGHYRZ-AAEUAGOBSA-N 1 0 320.433 4.109 20 30 DIEDRO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000182064097 1053337897 /nfs/dbraw/zinc/33/78/97/1053337897.db2.gz GCNFLVNQYHHGSB-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000182089614 1053343099 /nfs/dbraw/zinc/34/30/99/1053343099.db2.gz UDARDZUNCDKYOQ-CRAIPNDOSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1cccc(C#N)c1 ZINC000182096052 1053344562 /nfs/dbraw/zinc/34/45/62/1053344562.db2.gz CUTXJLLMQLUUMI-ZDUSSCGKSA-N 1 0 313.470 4.206 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]CCc2cc3ccccc3o2)C1 ZINC001320577299 1053346569 /nfs/dbraw/zinc/34/65/69/1053346569.db2.gz XUFISKXLGBCGKA-UHFFFAOYSA-N 1 0 316.404 4.189 20 30 DIEDRO Cc1cc2cc(C[NH2+]Cc3cccc(OCC#N)c3)oc2cc1C ZINC001320647907 1053352535 /nfs/dbraw/zinc/35/25/35/1053352535.db2.gz FAEDYALXAGWJDE-UHFFFAOYSA-N 1 0 320.392 4.242 20 30 DIEDRO Cc1ccc2cc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)ccc2n1 ZINC000618741163 1053358228 /nfs/dbraw/zinc/35/82/28/1053358228.db2.gz AWWRFALFQDECSU-OAQYLSRUSA-N 1 0 313.404 4.192 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000618741680 1053358911 /nfs/dbraw/zinc/35/89/11/1053358911.db2.gz KKHHOBLKEBLZQW-KRWDZBQOSA-N 1 0 316.326 4.354 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(F)cc1Cl ZINC000618742386 1053359176 /nfs/dbraw/zinc/35/91/76/1053359176.db2.gz YCUPFRMRKMJMEA-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCSc2ccccc21 ZINC000618801671 1053366344 /nfs/dbraw/zinc/36/63/44/1053366344.db2.gz BKFIXYHZGYPHQP-ZWKOTPCHSA-N 1 0 306.434 4.372 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCSc2ccccc21 ZINC000618801668 1053366739 /nfs/dbraw/zinc/36/67/39/1053366739.db2.gz BKFIXYHZGYPHQP-ROUUACIJSA-N 1 0 306.434 4.372 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000618805333 1053370095 /nfs/dbraw/zinc/37/00/95/1053370095.db2.gz GMGJYILLTNZCLR-UXHICEINSA-N 1 0 301.393 4.158 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)ccc1F ZINC000618805631 1053370284 /nfs/dbraw/zinc/37/02/84/1053370284.db2.gz JAFCXQCDTVGBRQ-SGTLLEGYSA-N 1 0 310.372 4.044 20 30 DIEDRO CCCCCCCCCCCC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001545872940 1053370569 /nfs/dbraw/zinc/37/05/69/1053370569.db2.gz BWALLLDPDMDGIQ-ROUUACIJSA-N 1 0 310.526 4.458 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805091 1053370734 /nfs/dbraw/zinc/37/07/34/1053370734.db2.gz CUOBQTPNYUCDKS-LRAJWGHMSA-N 1 0 320.436 4.336 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 ZINC000618805824 1053371112 /nfs/dbraw/zinc/37/11/12/1053371112.db2.gz PHMCLTIONSLADS-SJCJKPOMSA-N 1 0 304.384 4.349 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000618806275 1053371209 /nfs/dbraw/zinc/37/12/09/1053371209.db2.gz QIBZXFIXEPQYAH-PMACEKPBSA-N 1 0 306.384 4.352 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618805248 1053371263 /nfs/dbraw/zinc/37/12/63/1053371263.db2.gz FNVPDPFBUKTIGG-KUHUBIRLSA-N 1 0 322.477 4.488 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC(c2ccccc2F)C1 ZINC000618807663 1053372999 /nfs/dbraw/zinc/37/29/99/1053372999.db2.gz VPUGLJINURHNLS-ALLBUHFWSA-N 1 0 306.384 4.220 20 30 DIEDRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618831523 1053377036 /nfs/dbraw/zinc/37/70/36/1053377036.db2.gz ZCPQFLGEALBCCS-LJQANCHMSA-N 1 0 302.377 4.390 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CS1 ZINC000618831379 1053377401 /nfs/dbraw/zinc/37/74/01/1053377401.db2.gz OKZRHZWHFKDTOU-OIISXLGYSA-N 1 0 300.471 4.055 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)COc1ccccc1F)c1ccc(C#N)cc1 ZINC001321014038 1053380247 /nfs/dbraw/zinc/38/02/47/1053380247.db2.gz BXAFPAHZVWEDBF-KSSFIOAISA-N 1 0 312.388 4.206 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC001321016571 1053383282 /nfs/dbraw/zinc/38/32/82/1053383282.db2.gz XJCDIVIFRJWSGD-SJORKVTESA-N 1 0 300.446 4.078 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](Oc2ccccc2C[NH+](C)C)C(C)(C)O1 ZINC001229702277 1053388124 /nfs/dbraw/zinc/38/81/24/1053388124.db2.gz RTWDGKVKNYQMNE-HKUYNNGSSA-N 1 0 303.446 4.029 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000618888464 1053390460 /nfs/dbraw/zinc/39/04/60/1053390460.db2.gz UIHVBWVWVPGQKD-QZTJIDSGSA-N 1 0 313.489 4.179 20 30 DIEDRO C=C(C[NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccccc1 ZINC001200142112 1053412305 /nfs/dbraw/zinc/41/23/05/1053412305.db2.gz RMEAYIMJHYAUCI-UHFFFAOYSA-N 1 0 309.409 4.041 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccc(F)cc2C[NH+](C)C)O1 ZINC001229858199 1053420549 /nfs/dbraw/zinc/42/05/49/1053420549.db2.gz IYPCNDMXASCDSU-MJGOQNOKSA-N 1 0 321.436 4.168 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093533536 1053421456 /nfs/dbraw/zinc/42/14/56/1053421456.db2.gz HHFNKZIIQRHWAX-UHFFFAOYSA-N 1 0 317.414 4.116 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC001321622835 1053424347 /nfs/dbraw/zinc/42/43/47/1053424347.db2.gz NNDSSNNKGAQQJE-SKINQDTJSA-N 1 0 306.384 4.027 20 30 DIEDRO Cc1ccccc1C[C@H]([NH2+]Cc1cccc(OCC#N)c1)C1CC1 ZINC001321756108 1053432636 /nfs/dbraw/zinc/43/26/36/1053432636.db2.gz XFKIYTYSXDHVOA-NRFANRHFSA-N 1 0 320.436 4.008 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccccc2/C=N/c2ccccc2O)CC1 ZINC001229932131 1053435263 /nfs/dbraw/zinc/43/52/63/1053435263.db2.gz AGVSLOJMWIJWMJ-WNSCPLKPSA-N 1 0 324.424 4.006 20 30 DIEDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)c1 ZINC000182450989 1053437519 /nfs/dbraw/zinc/43/75/19/1053437519.db2.gz XOMWONFVWOCKJV-AWEZNQCLSA-N 1 0 324.424 4.053 20 30 DIEDRO CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000763540559 1053464656 /nfs/dbraw/zinc/46/46/56/1053464656.db2.gz UDJKJRQCENYABV-HXUWFJFHSA-N 1 0 322.452 4.240 20 30 DIEDRO COc1ccc(C)cc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508430 1053496855 /nfs/dbraw/zinc/49/68/55/1053496855.db2.gz UBMSOBCKDQKMME-HXUWFJFHSA-N 1 0 320.436 4.433 20 30 DIEDRO CC(C)c1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)on1 ZINC000619508264 1053497151 /nfs/dbraw/zinc/49/71/51/1053497151.db2.gz GQWQAPKPXCGYPN-SFHVURJKSA-N 1 0 309.413 4.227 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]CCSCc1ccccc1 ZINC000619534945 1053506947 /nfs/dbraw/zinc/50/69/47/1053506947.db2.gz GFHZOPIYKCWXRT-LJQANCHMSA-N 1 0 308.450 4.069 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000619535347 1053508086 /nfs/dbraw/zinc/50/80/86/1053508086.db2.gz YNOHRQQRJJWXAS-OLZOCXBDSA-N 1 0 310.363 4.481 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000619620474 1053520594 /nfs/dbraw/zinc/52/05/94/1053520594.db2.gz XVCHFTCUGKFYEP-LJQANCHMSA-N 1 0 312.457 4.096 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000619724369 1053540457 /nfs/dbraw/zinc/54/04/57/1053540457.db2.gz KSTBDIAFHWJTGL-PBHICJAKSA-N 1 0 304.384 4.351 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CCC(F)(F)CC1 ZINC000619724582 1053540894 /nfs/dbraw/zinc/54/08/94/1053540894.db2.gz CVIKEANZDVDUSP-KRWDZBQOSA-N 1 0 304.384 4.351 20 30 DIEDRO COc1cccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1F ZINC000619725146 1053541124 /nfs/dbraw/zinc/54/11/24/1053541124.db2.gz CBRRQYGWPRKDAC-QZTJIDSGSA-N 1 0 324.399 4.106 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1 ZINC000619754659 1053544857 /nfs/dbraw/zinc/54/48/57/1053544857.db2.gz GWPPMNQDQVIIFI-SFHVURJKSA-N 1 0 309.800 4.324 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000619754704 1053545521 /nfs/dbraw/zinc/54/55/21/1053545521.db2.gz IPPDEVUTDHENOC-VIFPVBQESA-N 1 0 324.733 4.480 20 30 DIEDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754455 1053546229 /nfs/dbraw/zinc/54/62/29/1053546229.db2.gz AAUXEMRQGYWUPA-FZKQIMNGSA-N 1 0 314.816 4.077 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1Cl ZINC000619755026 1053547061 /nfs/dbraw/zinc/54/70/61/1053547061.db2.gz RBXZDSNUVZFABJ-IBGZPJMESA-N 1 0 310.828 4.323 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000619755843 1053547282 /nfs/dbraw/zinc/54/72/82/1053547282.db2.gz VZQLEMBUETXUGK-DLBZAZTESA-N 1 0 318.848 4.039 20 30 DIEDRO CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755274 1053547728 /nfs/dbraw/zinc/54/77/28/1053547728.db2.gz VKGDMPVXCGZRDX-CQSZACIVSA-N 1 0 304.846 4.384 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)cc1Cl ZINC000619755107 1053548522 /nfs/dbraw/zinc/54/85/22/1053548522.db2.gz TWWCDAYJXQGHOM-UHFFFAOYSA-N 1 0 314.791 4.387 20 30 DIEDRO C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754479 1053548871 /nfs/dbraw/zinc/54/88/71/1053548871.db2.gz ALJQXPBBWSDBJL-CYBMUJFWSA-N 1 0 316.807 4.462 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000619746655 1053552729 /nfs/dbraw/zinc/55/27/29/1053552729.db2.gz FAYLHVABIDWEOF-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1Cl ZINC000619746948 1053555056 /nfs/dbraw/zinc/55/50/56/1053555056.db2.gz VVHYMMKWQAWESW-QGZVFWFLSA-N 1 0 318.754 4.267 20 30 DIEDRO Cc1cc(OCCC[C@H](C)[NH2+]CC2(C#N)CC2)ccc1Cl ZINC000619845914 1053566338 /nfs/dbraw/zinc/56/63/38/1053566338.db2.gz KJXOMDYQPIFHIK-AWEZNQCLSA-N 1 0 306.837 4.089 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cccc3cnccc32)C2CC2)cc1 ZINC000183040911 1053574163 /nfs/dbraw/zinc/57/41/63/1053574163.db2.gz CVHGRPZQZHKCKF-UHFFFAOYSA-N 1 0 313.404 4.271 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001323320673 1053576474 /nfs/dbraw/zinc/57/64/74/1053576474.db2.gz CWUJLGTXGJTCKZ-OAHLLOKOSA-N 1 0 319.408 4.091 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(OCC#N)cc1 ZINC000070941067 1053576865 /nfs/dbraw/zinc/57/68/65/1053576865.db2.gz DIBPSMVBKYUVLB-NSHDSACASA-N 1 0 306.818 4.155 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000183207247 1053605130 /nfs/dbraw/zinc/60/51/30/1053605130.db2.gz KTHHIQPXJNMPGD-JLTOFOAXSA-N 1 0 324.399 4.456 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cccc(C2CCCCC2)c1 ZINC001230812406 1053606115 /nfs/dbraw/zinc/60/61/15/1053606115.db2.gz UDQZAOFPPUEMSC-LJQANCHMSA-N 1 0 301.454 4.102 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000131010850 1053622281 /nfs/dbraw/zinc/62/22/81/1053622281.db2.gz LTCVYFAKIRKTCU-SCLBCKFNSA-N 1 0 314.816 4.250 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CSc3ccccc32)C1 ZINC001324336864 1053645620 /nfs/dbraw/zinc/64/56/20/1053645620.db2.gz WJKQMGFIZXJBAC-URSIVYNOSA-N 1 0 306.434 4.047 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccc(OCC#N)cc1 ZINC001324337193 1053645986 /nfs/dbraw/zinc/64/59/86/1053645986.db2.gz YOULJNWFIBOGBY-ZDUSSCGKSA-N 1 0 316.351 4.377 20 30 DIEDRO C(=N/c1ccc(OC2CC[NH+](C3CC3)CC2)cc1)\c1ccccc1 ZINC001231200168 1053698945 /nfs/dbraw/zinc/69/89/45/1053698945.db2.gz KIIAFOXNMPJSNE-CJLVFECKSA-N 1 0 320.436 4.443 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(OC(C)(C)C)cc1)c1cc(C#N)ccn1 ZINC001353932024 1053711815 /nfs/dbraw/zinc/71/18/15/1053711815.db2.gz CSMFTMUXFDSQEW-OAHLLOKOSA-N 1 0 323.440 4.024 20 30 DIEDRO CN(C)c1ccc2cc(C[N@@H+]3CCC[C@H](CC#N)C3)ccc2c1 ZINC001231442552 1053754964 /nfs/dbraw/zinc/75/49/64/1053754964.db2.gz RAGYCQQIXYHICQ-MRXNPFEDSA-N 1 0 307.441 4.031 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCC2 ZINC001326103952 1053755163 /nfs/dbraw/zinc/75/51/63/1053755163.db2.gz DRXJLOKAAUPSQO-OAQYLSRUSA-N 1 0 302.421 4.214 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000155060833 1053760142 /nfs/dbraw/zinc/76/01/42/1053760142.db2.gz QBGJQZKEZBFIRS-HXUWFJFHSA-N 1 0 320.436 4.359 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccncc1 ZINC001200563436 1053765534 /nfs/dbraw/zinc/76/55/34/1053765534.db2.gz WWKRWMHPXFMARD-CYBMUJFWSA-N 1 0 323.259 4.313 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2coc3ccccc23)C1 ZINC001326258563 1053769840 /nfs/dbraw/zinc/76/98/40/1053769840.db2.gz NDTPPMZIKYNSMX-UHFFFAOYSA-N 1 0 302.377 4.146 20 30 DIEDRO N#C[C@@H]1CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231578836 1053788860 /nfs/dbraw/zinc/78/88/60/1053788860.db2.gz SWQBEHUZJUEAOP-HXUWFJFHSA-N 1 0 314.432 4.212 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(c3cccc(O)c3)CC2)c1 ZINC001231624127 1053804338 /nfs/dbraw/zinc/80/43/38/1053804338.db2.gz HLNFZYOPLCEAPT-UHFFFAOYSA-N 1 0 323.436 4.337 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001231625027 1053804359 /nfs/dbraw/zinc/80/43/59/1053804359.db2.gz KDIFLLRCQIOFAX-KRWDZBQOSA-N 1 0 303.421 4.356 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1 ZINC001231620957 1053804381 /nfs/dbraw/zinc/80/43/81/1053804381.db2.gz JPPIQZYGPQFOJG-UHFFFAOYSA-N 1 0 307.384 4.263 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(C)c1)Cc1ccc(C#N)cc1OC ZINC001231620778 1053806630 /nfs/dbraw/zinc/80/66/30/1053806630.db2.gz MYBBQFPYRRDQBX-UHFFFAOYSA-N 1 0 308.425 4.206 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](c3cccc(OC)c3)C2)c1 ZINC001231624419 1053806679 /nfs/dbraw/zinc/80/66/79/1053806679.db2.gz MIHLDYPQTFKGFV-IBGZPJMESA-N 1 0 323.436 4.250 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1OC ZINC001231620940 1053806812 /nfs/dbraw/zinc/80/68/12/1053806812.db2.gz PMXFVGNNLUZGLH-LJQANCHMSA-N 1 0 306.409 4.076 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c1 ZINC001231624424 1053807164 /nfs/dbraw/zinc/80/71/64/1053807164.db2.gz MIMKOTHUHWSBHZ-UHFFFAOYSA-N 1 0 315.457 4.175 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271432062 1053812500 /nfs/dbraw/zinc/81/25/00/1053812500.db2.gz DTZYGIXNQAWIOB-HUUCEWRRSA-N 1 0 310.397 4.009 20 30 DIEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)CCc1ccccc1 ZINC001327014124 1053825844 /nfs/dbraw/zinc/82/58/44/1053825844.db2.gz YRAIJEYZMKVISN-UHFFFAOYSA-N 1 0 314.473 4.040 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC001327348336 1053854544 /nfs/dbraw/zinc/85/45/44/1053854544.db2.gz MHLYZUFEQCHAMI-BBRMVZONSA-N 1 0 313.363 4.086 20 30 DIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)CCC(C)(C)C#N ZINC000157895272 1053874701 /nfs/dbraw/zinc/87/47/01/1053874701.db2.gz OBMIFCOIGDZUBP-UHFFFAOYSA-N 1 0 311.429 4.146 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)(C)C ZINC001231842412 1053887008 /nfs/dbraw/zinc/88/70/08/1053887008.db2.gz JSPIUMUQOBWUSP-UHFFFAOYSA-N 1 0 319.449 4.215 20 30 DIEDRO CC[N@@H+](CCC#N)CCCCOc1ccccc1C(F)(F)F ZINC000081040656 1053910005 /nfs/dbraw/zinc/91/00/05/1053910005.db2.gz YGAZNKWTMFSICI-UHFFFAOYSA-N 1 0 314.351 4.100 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001354613971 1053923916 /nfs/dbraw/zinc/92/39/16/1053923916.db2.gz JYKCRYGELIHQST-HNNXBMFYSA-N 1 0 324.472 4.286 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC001329175509 1053971026 /nfs/dbraw/zinc/97/10/26/1053971026.db2.gz VINZOCANKQQXTA-VEDCXYSMSA-N 1 0 317.436 4.136 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC001330069850 1054019281 /nfs/dbraw/zinc/01/92/81/1054019281.db2.gz NVDSTTXNTYMORX-LSDHHAIUSA-N 1 0 300.446 4.015 20 30 DIEDRO COc1cc(CN(CCC#N)C2CCCC2)c(OC)cc1Cl ZINC001232372159 1054030482 /nfs/dbraw/zinc/03/04/82/1054030482.db2.gz JMKLHORCHRAPIN-UHFFFAOYSA-N 1 0 322.836 4.015 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]c2nccc(Cl)c12)Cc1ccccc1 ZINC001232463989 1054049679 /nfs/dbraw/zinc/04/96/79/1054049679.db2.gz UJNWHHLEZJEJIS-UHFFFAOYSA-N 1 0 311.816 4.405 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cc4ccoc4cn3)CC2)cc1 ZINC001232557125 1054069879 /nfs/dbraw/zinc/06/98/79/1054069879.db2.gz ORWKJVVLWREEJS-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cccnc1NC(=O)OC(C)(C)C ZINC001232542482 1054070148 /nfs/dbraw/zinc/07/01/48/1054070148.db2.gz BYDRDWHHPMAJOI-UHFFFAOYSA-N 1 0 319.449 4.217 20 30 DIEDRO CC[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001331298532 1054071227 /nfs/dbraw/zinc/07/12/27/1054071227.db2.gz VYSMEFSUYWYPFM-IBGZPJMESA-N 1 0 308.425 4.090 20 30 DIEDRO N#CC1(CSCc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001331498620 1054079348 /nfs/dbraw/zinc/07/93/48/1054079348.db2.gz SSPLBPFAFIVJBX-UHFFFAOYSA-N 1 0 300.471 4.209 20 30 DIEDRO CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1C#N ZINC001232608923 1054080009 /nfs/dbraw/zinc/08/00/09/1054080009.db2.gz AVRBYQJWGJXMBD-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@H]1c1ccccc1 ZINC000184561420 1054080278 /nfs/dbraw/zinc/08/02/78/1054080278.db2.gz GKXVQKYZVVJCOS-VQTJNVASSA-N 1 0 320.436 4.261 20 30 DIEDRO COc1cccc(C)c1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001232626980 1054090039 /nfs/dbraw/zinc/09/00/39/1054090039.db2.gz ITBQQWNQQZPNJY-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO C#CC[N@H+](Cc1cccc2ncsc21)[C@@H]1CCc2ccccc21 ZINC001232735592 1054110745 /nfs/dbraw/zinc/11/07/45/1054110745.db2.gz NYCHZNYDHPUUJC-LJQANCHMSA-N 1 0 318.445 4.419 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2cncc(C#N)c2)cc1 ZINC001332715557 1054125352 /nfs/dbraw/zinc/12/53/52/1054125352.db2.gz RZAVMAZZYZLGCB-UHFFFAOYSA-N 1 0 323.440 4.013 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)cc3F)CC2)s1 ZINC001232845121 1054130245 /nfs/dbraw/zinc/13/02/45/1054130245.db2.gz OFAYSPVVQZQCHG-UHFFFAOYSA-N 1 0 318.392 4.278 20 30 DIEDRO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001232843383 1054130449 /nfs/dbraw/zinc/13/04/49/1054130449.db2.gz NJZLHWWVGKTNEF-UHFFFAOYSA-N 1 0 322.477 4.408 20 30 DIEDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000848537481 1054133036 /nfs/dbraw/zinc/13/30/36/1054133036.db2.gz JBNUGNYLJNPYDN-UHFFFAOYSA-N 1 0 321.468 4.152 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)ccc1OC ZINC000622266630 1054135656 /nfs/dbraw/zinc/13/56/56/1054135656.db2.gz VMESJQMMVHMKDB-DOTOQJQBSA-N 1 0 303.446 4.318 20 30 DIEDRO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001232891025 1054140866 /nfs/dbraw/zinc/14/08/66/1054140866.db2.gz VHVRXSNDLOVDOI-KRWDZBQOSA-N 1 0 308.400 4.152 20 30 DIEDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000848543523 1054141423 /nfs/dbraw/zinc/14/14/23/1054141423.db2.gz GZJZSNFILDTZGX-JXFKEZNVSA-N 1 0 322.452 4.090 20 30 DIEDRO N#Cc1cc(C[NH+]2CCCCCCC2)ccc1Br ZINC001232899325 1054144804 /nfs/dbraw/zinc/14/48/04/1054144804.db2.gz QENZZPDVLFPSCH-UHFFFAOYSA-N 1 0 307.235 4.087 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1F ZINC000848557787 1054149249 /nfs/dbraw/zinc/14/92/49/1054149249.db2.gz KNLDGOFMEHXHKV-IFXJQAMLSA-N 1 0 312.388 4.357 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1O ZINC000848566675 1054152560 /nfs/dbraw/zinc/15/25/60/1054152560.db2.gz DWGKGNYYMJKNPH-CQSZACIVSA-N 1 0 322.408 4.002 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(O)c1 ZINC000848567528 1054154929 /nfs/dbraw/zinc/15/49/29/1054154929.db2.gz XLIOFYFCRUKLTH-OAHLLOKOSA-N 1 0 306.409 4.302 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)cc1 ZINC000848574768 1054157185 /nfs/dbraw/zinc/15/71/85/1054157185.db2.gz HYRMDBYIAVMMQB-ZIAGYGMSSA-N 1 0 322.399 4.281 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2ccc(C)cc2C#N)CC1 ZINC001232967493 1054162879 /nfs/dbraw/zinc/16/28/79/1054162879.db2.gz OBZBPFNOWLIHGW-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC001334034649 1054177056 /nfs/dbraw/zinc/17/70/56/1054177056.db2.gz XGXHLJFAYNPONR-QGZVFWFLSA-N 1 0 324.449 4.066 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(Sc2ccncc2)CC1 ZINC001233082991 1054183418 /nfs/dbraw/zinc/18/34/18/1054183418.db2.gz NXQJMRNLJSBIRQ-UHFFFAOYSA-N 1 0 323.465 4.018 20 30 DIEDRO Cc1ccc(C)c2nc(Cl)c(C[NH+]3CCC(S)CC3)cc12 ZINC001233133164 1054190442 /nfs/dbraw/zinc/19/04/42/1054190442.db2.gz FFKCWSYTISNOBC-UHFFFAOYSA-N 1 0 320.889 4.399 20 30 DIEDRO C#CC1CC[NH+](Cc2cc3c(C)ccc(C)c3nc2Cl)CC1 ZINC001233137740 1054190864 /nfs/dbraw/zinc/19/08/64/1054190864.db2.gz XZFKIXLRCPPPNP-UHFFFAOYSA-N 1 0 312.844 4.350 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCSC3(CCC3)C2)C1 ZINC001334421612 1054191163 /nfs/dbraw/zinc/19/11/63/1054191163.db2.gz GLOFGHGRVGJBTH-WWDZGPRUSA-N 1 0 312.482 4.018 20 30 DIEDRO COc1cccc2cc(C[NH2+]Cc3c(C)cc(C#N)cc3C)oc21 ZINC001335152117 1054209415 /nfs/dbraw/zinc/20/94/15/1054209415.db2.gz ZCIWUXYWKRMIHL-UHFFFAOYSA-N 1 0 320.392 4.220 20 30 DIEDRO CC(C)(C)c1ccc(O)c(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001233285665 1054221977 /nfs/dbraw/zinc/22/19/77/1054221977.db2.gz PEWYOLDBRTUPIV-UHFFFAOYSA-N 1 0 300.446 4.348 20 30 DIEDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001233284378 1054222841 /nfs/dbraw/zinc/22/28/41/1054222841.db2.gz SFFAEGGVJXGXGC-UHFFFAOYSA-N 1 0 320.436 4.120 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1nc(C2CCCCC2)no1 ZINC001335787055 1054225722 /nfs/dbraw/zinc/22/57/22/1054225722.db2.gz VTKCWIUGNHVSTD-NFOMZHRRSA-N 1 0 316.449 4.098 20 30 DIEDRO CCCC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 ZINC000184882081 1054228532 /nfs/dbraw/zinc/22/85/32/1054228532.db2.gz DDXJPJMPZDEKAB-QGZVFWFLSA-N 1 0 324.428 4.057 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCc2ccc(C(F)F)cc2)cc1C ZINC000184879040 1054231280 /nfs/dbraw/zinc/23/12/80/1054231280.db2.gz SPPVBBIAQCJWHR-UHFFFAOYSA-N 1 0 303.356 4.168 20 30 DIEDRO N#CCCN(Cc1cc2cccnc2s1)Cc1ccccc1 ZINC001233345038 1054241220 /nfs/dbraw/zinc/24/12/20/1054241220.db2.gz CSKPEBJLSAEZGT-UHFFFAOYSA-N 1 0 307.422 4.212 20 30 DIEDRO CSc1cccc(Cl)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001233352634 1054246623 /nfs/dbraw/zinc/24/66/23/1054246623.db2.gz MSBXKIXWFVLMBE-XYYAHUGASA-N 1 0 306.862 4.328 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1cc(F)cc(F)c1)C(C)(C)C ZINC001233406348 1054262441 /nfs/dbraw/zinc/26/24/41/1054262441.db2.gz KWWRDFRWBRZZTF-UHFFFAOYSA-N 1 0 305.372 4.141 20 30 DIEDRO CC[NH+](CC)C[C@H](C)Oc1cccc(-c2ccc(C#N)cc2)c1 ZINC001233510727 1054285964 /nfs/dbraw/zinc/28/59/64/1054285964.db2.gz GBEBCEDTBCZKPI-INIZCTEOSA-N 1 0 308.425 4.334 20 30 DIEDRO C[NH+](C)C1CCC(Oc2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC001233513148 1054286369 /nfs/dbraw/zinc/28/63/69/1054286369.db2.gz UBUSOOYGXSCQIU-UHFFFAOYSA-N 1 0 320.436 4.477 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C)CC1(C)C ZINC001356378459 1054324488 /nfs/dbraw/zinc/32/44/88/1054324488.db2.gz PDLSSYRYXNCDHS-KRWDZBQOSA-N 1 0 310.526 4.316 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(CC#N)cc2)c1 ZINC000849044853 1054357485 /nfs/dbraw/zinc/35/74/85/1054357485.db2.gz ILVBHWSDERRGNN-UHFFFAOYSA-N 1 0 306.413 4.013 20 30 DIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]Cc2ccco2)cc1 ZINC000849053240 1054362532 /nfs/dbraw/zinc/36/25/32/1054362532.db2.gz PQYQYYJIWJCGBT-UHFFFAOYSA-N 1 0 319.408 4.346 20 30 DIEDRO CCCC[NH+]=C(NCc1cccs1)NCc1ccc(C)cc1 ZINC000849055927 1054364289 /nfs/dbraw/zinc/36/42/89/1054364289.db2.gz MARRCDHEGGDTMJ-UHFFFAOYSA-N 1 0 315.486 4.092 20 30 DIEDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(-c2cccc(C#N)c2)cc1 ZINC001233866654 1054377264 /nfs/dbraw/zinc/37/72/64/1054377264.db2.gz PFOGENDSPLSIPU-MRXNPFEDSA-N 1 0 308.425 4.334 20 30 DIEDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233860724 1054377564 /nfs/dbraw/zinc/37/75/64/1054377564.db2.gz HUQRKIBXGJYCGD-OAQYLSRUSA-N 1 0 320.436 4.477 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000849085877 1054378557 /nfs/dbraw/zinc/37/85/57/1054378557.db2.gz ZKEONOIRRRSRGY-SFHVURJKSA-N 1 0 321.399 4.015 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1ccc(C)c(C)c1)c1ccc(Cl)cc1 ZINC000849084512 1054379137 /nfs/dbraw/zinc/37/91/37/1054379137.db2.gz WTWKOMUMTHCBKX-QGZVFWFLSA-N 1 0 311.816 4.268 20 30 DIEDRO C#C[C@H](CCC)NC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000849093254 1054381005 /nfs/dbraw/zinc/38/10/05/1054381005.db2.gz UGTGOVJTJLUPPS-OAHLLOKOSA-N 1 0 307.397 4.217 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2ccc(Cl)c(C#N)c2)CC1(C)C ZINC001233925025 1054390156 /nfs/dbraw/zinc/39/01/56/1054390156.db2.gz RCYAZVLBCWJUKE-UHFFFAOYSA-N 1 0 306.837 4.242 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC001233926353 1054390478 /nfs/dbraw/zinc/39/04/78/1054390478.db2.gz ZFWSZMYKXGKJGJ-GOSISDBHSA-N 1 0 314.816 4.283 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 ZINC001441947424 1054403474 /nfs/dbraw/zinc/40/34/74/1054403474.db2.gz FVOFCFRDJZGMAW-UHFFFAOYSA-N 1 0 324.424 4.152 20 30 DIEDRO CCCCCCCCCc1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001342546505 1054422602 /nfs/dbraw/zinc/42/26/02/1054422602.db2.gz OLSKOXVHFJLYPZ-MRXNPFEDSA-N 1 0 305.466 4.172 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2c(C)noc2C)c(O)c1 ZINC000072613686 1054436001 /nfs/dbraw/zinc/43/60/01/1054436001.db2.gz JTGWKEJYLYOKBD-MKFNJMOCSA-N 1 0 315.417 4.023 20 30 DIEDRO C=CCN(Cc1ccc(Cl)s1)Cc1cccnc1N(C)C ZINC001343223745 1054439326 /nfs/dbraw/zinc/43/93/26/1054439326.db2.gz NVHBBXRKQGKWBR-UHFFFAOYSA-N 1 0 321.877 4.051 20 30 DIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2ncccc2Cl)CC1 ZINC000733901676 1054484188 /nfs/dbraw/zinc/48/41/88/1054484188.db2.gz SPVSQWKFZAGCFJ-XJKSGUPXSA-N 1 0 320.868 4.177 20 30 DIEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473302465 1054526151 /nfs/dbraw/zinc/52/61/51/1054526151.db2.gz QPLYXDPVUNHJPG-AWEZNQCLSA-N 1 0 308.372 4.028 20 30 DIEDRO CC(C)c1c(C#N)cccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001234857455 1054605063 /nfs/dbraw/zinc/60/50/63/1054605063.db2.gz USDJHNHOAGOCLA-UHFFFAOYSA-N 1 0 321.424 4.124 20 30 DIEDRO C=C(C)[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000623495484 1054609497 /nfs/dbraw/zinc/60/94/97/1054609497.db2.gz DRVWIVVHZOSOEP-PBHICJAKSA-N 1 0 308.416 4.044 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC(C)(F)F)cc1OC ZINC000623534363 1054612827 /nfs/dbraw/zinc/61/28/27/1054612827.db2.gz JQYHWWLWWRSTFH-UHFFFAOYSA-N 1 0 319.779 4.048 20 30 DIEDRO Cc1c2ccccc2sc1[C@@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC001473360715 1054641167 /nfs/dbraw/zinc/64/11/67/1054641167.db2.gz SGARCMLOTJPGNP-CYBMUJFWSA-N 1 0 307.422 4.327 20 30 DIEDRO CC(C)(C)[NH+]1CCC(Nc2cccc(OCCCC#N)c2)CC1 ZINC000179824797 1054705917 /nfs/dbraw/zinc/70/59/17/1054705917.db2.gz YBWYLGHTJALDTR-UHFFFAOYSA-N 1 0 315.461 4.044 20 30 DIEDRO CC(C)C[C@@H](CNc1ccc(C#N)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000495319841 1054710149 /nfs/dbraw/zinc/71/01/49/1054710149.db2.gz ULQMMYYMFXESIF-LPHOPBHVSA-N 1 0 322.456 4.131 20 30 DIEDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3ccc(CC#N)cc3)C2)cc1 ZINC001473433978 1054716013 /nfs/dbraw/zinc/71/60/13/1054716013.db2.gz ZSENZXNMVKSQDG-UTKZUKDTSA-N 1 0 304.437 4.439 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@H](O)[C@H](C)c2ccccc2)CCCC1(C)C ZINC001473432612 1054722024 /nfs/dbraw/zinc/72/20/24/1054722024.db2.gz NVWXIPSPPQZKRH-NEWSRXKRSA-N 1 0 301.474 4.218 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2ccc(OC(C)=O)cc2)CCCC1(C)C ZINC001473433536 1054722789 /nfs/dbraw/zinc/72/27/89/1054722789.db2.gz VMVQWSGPIWLFGE-SFHVURJKSA-N 1 0 301.430 4.179 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccccc1 ZINC000180039844 1054727507 /nfs/dbraw/zinc/72/75/07/1054727507.db2.gz JZAXEAYGEWRIGD-KRWDZBQOSA-N 1 0 312.388 4.061 20 30 DIEDRO Cc1ccc(OC2CC[NH+](Cc3ccccc3CC#N)CC2)cc1 ZINC001235524034 1054736793 /nfs/dbraw/zinc/73/67/93/1054736793.db2.gz YISOAKHUPGQARS-UHFFFAOYSA-N 1 0 320.436 4.105 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001235529132 1054737276 /nfs/dbraw/zinc/73/72/76/1054737276.db2.gz XJNFFEXOCVRQJJ-HXUWFJFHSA-N 1 0 308.400 4.099 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(C#N)c2ccccc2n1 ZINC000609891716 1054739445 /nfs/dbraw/zinc/73/94/45/1054739445.db2.gz GULKWJNEEFISFD-MRXNPFEDSA-N 1 0 322.456 4.173 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cs1 ZINC000921506042 1054740520 /nfs/dbraw/zinc/74/05/20/1054740520.db2.gz FQHNAPYWKNNRMA-CQSZACIVSA-N 1 0 304.415 4.086 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000180456598 1054757703 /nfs/dbraw/zinc/75/77/03/1054757703.db2.gz VHEUEZUJDQRBII-ZDUSSCGKSA-N 1 0 304.484 4.380 20 30 DIEDRO C#CC[N@@H+](CC[C@@H](O)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001473826947 1054759928 /nfs/dbraw/zinc/75/99/28/1054759928.db2.gz XSAYFZGHAPXVCU-FGZHOGPDSA-N 1 0 319.448 4.123 20 30 DIEDRO C[N@H+](Cc1c(F)cc(C#N)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC001235657577 1054760455 /nfs/dbraw/zinc/76/04/55/1054760455.db2.gz SBXVKUCNIOVDCO-UHFFFAOYSA-N 1 0 316.395 4.237 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001473862069 1054763365 /nfs/dbraw/zinc/76/33/65/1054763365.db2.gz VEGRWMZYWFWPCV-HNNXBMFYSA-N 1 0 301.352 4.027 20 30 DIEDRO N#Cc1cc(F)c(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c(F)c1 ZINC001235665436 1054765349 /nfs/dbraw/zinc/76/53/49/1054765349.db2.gz VQGIYBCYUWUWGX-HNNXBMFYSA-N 1 0 304.384 4.239 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(O)c(OC(F)(F)F)c1 ZINC001235672209 1054766440 /nfs/dbraw/zinc/76/64/40/1054766440.db2.gz HOYTZJSXXQFEMS-UHFFFAOYSA-N 1 0 303.324 4.079 20 30 DIEDRO C=CCC[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180603706 1054771966 /nfs/dbraw/zinc/77/19/66/1054771966.db2.gz NGNOGERFWHYABZ-CQSZACIVSA-N 1 0 312.388 4.305 20 30 DIEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180610412 1054771982 /nfs/dbraw/zinc/77/19/82/1054771982.db2.gz XIIIIIJTMBNFIS-AWEZNQCLSA-N 1 0 312.388 4.305 20 30 DIEDRO Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001235787192 1054806324 /nfs/dbraw/zinc/80/63/24/1054806324.db2.gz BXJPKKSHYDEIGS-AWEZNQCLSA-N 1 0 321.262 4.192 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623915576 1054818147 /nfs/dbraw/zinc/81/81/47/1054818147.db2.gz JRCZNIPNPAUKFD-ZJUUUORDSA-N 1 0 306.759 4.239 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001474550113 1054820085 /nfs/dbraw/zinc/82/00/85/1054820085.db2.gz OLFTUEDWAHFJTA-NSHDSACASA-N 1 0 315.244 4.266 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623924629 1054824569 /nfs/dbraw/zinc/82/45/69/1054824569.db2.gz IKFMMZGZQMWRFH-NSHDSACASA-N 1 0 305.315 4.088 20 30 DIEDRO N#Cc1cc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)ccc1F ZINC001235897925 1054836455 /nfs/dbraw/zinc/83/64/55/1054836455.db2.gz VWSUUOWPTMBZKL-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(F)c(C#N)c2)ccc1F ZINC001235897919 1054837100 /nfs/dbraw/zinc/83/71/00/1054837100.db2.gz VPTGSAINXVOYEP-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO N#Cc1cc(-c2ccc(SC3CC[NH2+]CC3)cc2)ccc1F ZINC001235898796 1054837376 /nfs/dbraw/zinc/83/73/76/1054837376.db2.gz DDTZJJBXEQDKQQ-UHFFFAOYSA-N 1 0 312.413 4.208 20 30 DIEDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623969227 1054841747 /nfs/dbraw/zinc/84/17/47/1054841747.db2.gz ZGYNZIFWDXKLRU-SSDOTTSWSA-N 1 0 319.220 4.032 20 30 DIEDRO C=C(C)CC[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623993824 1054847985 /nfs/dbraw/zinc/84/79/85/1054847985.db2.gz FIIFAUGEZIUXIR-SNVBAGLBSA-N 1 0 306.759 4.241 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000624037761 1054861631 /nfs/dbraw/zinc/86/16/31/1054861631.db2.gz HCABAZABPYYKSI-MRXNPFEDSA-N 1 0 302.462 4.212 20 30 DIEDRO Cc1ccnc(-c2cccc(C[NH+]3CCCCC3)c2F)c1C#N ZINC001236002379 1054889640 /nfs/dbraw/zinc/88/96/40/1054889640.db2.gz IIHKQZJBSQJTHI-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO N#CCSCCC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083422803 1054934803 /nfs/dbraw/zinc/93/48/03/1054934803.db2.gz ZQEHXFFQXUKNGA-UHFFFAOYSA-N 1 0 306.862 4.076 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000182183754 1054967988 /nfs/dbraw/zinc/96/79/88/1054967988.db2.gz UTKHEKVBVDFGQR-KGLIPLIRSA-N 1 0 304.434 4.049 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000182183772 1054968130 /nfs/dbraw/zinc/96/81/30/1054968130.db2.gz UTKHEKVBVDFGQR-UONOGXRCSA-N 1 0 304.434 4.049 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)s1 ZINC001236189347 1054987838 /nfs/dbraw/zinc/98/78/38/1054987838.db2.gz CVHJELGORKQGMP-GOSISDBHSA-N 1 0 307.422 4.438 20 30 DIEDRO Cc1nccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1C#N ZINC001236257431 1055039670 /nfs/dbraw/zinc/03/96/70/1055039670.db2.gz DQFATLJPWAYKND-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ncc3c(c2C#N)CCC3)c1 ZINC001236319446 1055055709 /nfs/dbraw/zinc/05/57/09/1055055709.db2.gz RSCXZRRWLYBTKB-UHFFFAOYSA-N 1 0 323.415 4.090 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236335198 1055062065 /nfs/dbraw/zinc/06/20/65/1055062065.db2.gz IANQHRZXHQIQNM-UHFFFAOYSA-N 1 0 322.452 4.213 20 30 DIEDRO CCc1cc(C[NH+]2CCC(c3ccc(N)cc3)CC2)ccc1C#N ZINC001236336960 1055065389 /nfs/dbraw/zinc/06/53/89/1055065389.db2.gz PCRGIXGNOUGYJA-UHFFFAOYSA-N 1 0 319.452 4.082 20 30 DIEDRO CCCCCCC/C=C/CN1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236354558 1055069993 /nfs/dbraw/zinc/06/99/93/1055069993.db2.gz KIYZRZCJRGQDDN-VMFRVMOISA-N 1 0 306.416 4.115 20 30 DIEDRO CCCCCCC/C=C/CN1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236354551 1055070446 /nfs/dbraw/zinc/07/04/46/1055070446.db2.gz KIYZRZCJRGQDDN-JJGIJDNGSA-N 1 0 306.416 4.115 20 30 DIEDRO C=CCCCCCCCCN1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363661 1055075504 /nfs/dbraw/zinc/07/55/04/1055075504.db2.gz VPQRRKPGPVRTPS-HUUCEWRRSA-N 1 0 306.416 4.115 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1nc(-c2ccccc2)cs1 ZINC000184516875 1055077768 /nfs/dbraw/zinc/07/77/68/1055077768.db2.gz SGHDBOXLXNTZAL-ZDUSSCGKSA-N 1 0 317.483 4.108 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000184970983 1055085221 /nfs/dbraw/zinc/08/52/21/1055085221.db2.gz IMHGMVBYKUDMTF-IRXDYDNUSA-N 1 0 309.438 4.065 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1Cl ZINC000112525770 1055106820 /nfs/dbraw/zinc/10/68/20/1055106820.db2.gz KVNCFPQHICUFRU-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C=CCn1ccc2c1ncnc2-c1ccc(C[NH2+]CC(C)C)cc1 ZINC001236427121 1055109486 /nfs/dbraw/zinc/10/94/86/1055109486.db2.gz YNPKCWRZLODPQX-UHFFFAOYSA-N 1 0 320.440 4.030 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2cc(C3(C#N)CC3)ccn2)cc1 ZINC001236429993 1055110229 /nfs/dbraw/zinc/11/02/29/1055110229.db2.gz VLHWZKABTWNBNP-UHFFFAOYSA-N 1 0 305.425 4.049 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1Cl ZINC000112544689 1055112494 /nfs/dbraw/zinc/11/24/94/1055112494.db2.gz ULPPIRPHMFBYAI-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO CCCCCCC/C=C/CN(Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC001236440442 1055114898 /nfs/dbraw/zinc/11/48/98/1055114898.db2.gz JNTWZOLFFYVXCD-NDDJGDGRSA-N 1 0 315.505 4.162 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(F)c(C#N)c2F)cc1 ZINC001236448988 1055119588 /nfs/dbraw/zinc/11/95/88/1055119588.db2.gz YFVQWMBHBNOCOT-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO O/N=C/c1cccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001236475059 1055133591 /nfs/dbraw/zinc/13/35/91/1055133591.db2.gz LARVQDGXVWJATL-WHOFGVDJSA-N 1 0 318.420 4.315 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)cc2F)nc1 ZINC001236527595 1055161459 /nfs/dbraw/zinc/16/14/59/1055161459.db2.gz OCKLZYUFPIZIOH-IBGZPJMESA-N 1 0 309.388 4.306 20 30 DIEDRO COc1ccc(C#N)cc1-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001236544835 1055172080 /nfs/dbraw/zinc/17/20/80/1055172080.db2.gz CNKUQDQYUFWWSF-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO COc1ccc(C#N)cc1-c1cccc(C2CC[NH+](C)CC2)c1 ZINC001236545357 1055174410 /nfs/dbraw/zinc/17/44/10/1055174410.db2.gz IWXDSRGPQQVUME-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000764489430 1055195212 /nfs/dbraw/zinc/19/52/12/1055195212.db2.gz BRVTWCAIBJBXDO-IIBYNOLFSA-N 1 0 305.421 4.427 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc(OCc2ccccc2)ccc1O ZINC001236789350 1055258166 /nfs/dbraw/zinc/25/81/66/1055258166.db2.gz OROIZHNEFRMOJL-UHFFFAOYSA-N 1 0 311.425 4.369 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236802127 1055265896 /nfs/dbraw/zinc/26/58/96/1055265896.db2.gz FTRLHOXETHTGNX-UHFFFAOYSA-N 1 0 321.207 4.203 20 30 DIEDRO CC(C)C1CC[NH+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001236857765 1055295191 /nfs/dbraw/zinc/29/51/91/1055295191.db2.gz BWSNDDHXUROYQI-UHFFFAOYSA-N 1 0 321.262 4.189 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)c3ccoc31)C2 ZINC001236891454 1055308846 /nfs/dbraw/zinc/30/88/46/1055308846.db2.gz UTEUUQGZKGYQEL-UHFFFAOYSA-N 1 0 306.340 4.002 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1F ZINC000765013910 1055311694 /nfs/dbraw/zinc/31/16/94/1055311694.db2.gz IVXJLVZPPKDKBM-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000765011748 1055313366 /nfs/dbraw/zinc/31/33/66/1055313366.db2.gz DYIUKCDDFBZCJY-KBPBESRZSA-N 1 0 321.449 4.450 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000765016643 1055316395 /nfs/dbraw/zinc/31/63/95/1055316395.db2.gz XLHRLGSDAIURSE-KRWDZBQOSA-N 1 0 316.351 4.401 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccccc2F)nc1 ZINC001236994535 1055332835 /nfs/dbraw/zinc/33/28/35/1055332835.db2.gz XYCFLEGIAOFJNU-OSYLJGHBSA-N 1 0 321.399 4.154 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237020564 1055344020 /nfs/dbraw/zinc/34/40/20/1055344020.db2.gz OYVRTRVAJQSORD-HNNXBMFYSA-N 1 0 310.828 4.247 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2)cc1 ZINC000765251953 1055345553 /nfs/dbraw/zinc/34/55/53/1055345553.db2.gz PQGAHQHHOOKOFJ-CVEARBPZSA-N 1 0 309.409 4.119 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cccc2cc(Br)cnc21 ZINC001237136988 1055379988 /nfs/dbraw/zinc/37/99/88/1055379988.db2.gz TVAWVPLZRRMKMQ-UHFFFAOYSA-N 1 0 319.246 4.395 20 30 DIEDRO N#CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C1CCCC1 ZINC001237139968 1055383186 /nfs/dbraw/zinc/38/31/86/1055383186.db2.gz SERFPSVBTFSBFV-UHFFFAOYSA-N 1 0 312.335 4.069 20 30 DIEDRO COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC001237305676 1055424600 /nfs/dbraw/zinc/42/46/00/1055424600.db2.gz CWFUEYNDDAXQNC-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO Cc1cc(F)cc(C)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001237317828 1055426994 /nfs/dbraw/zinc/42/69/94/1055426994.db2.gz NTJRHDSABWIEDO-UHFFFAOYSA-N 1 0 322.427 4.500 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001621458202 1055427858 /nfs/dbraw/zinc/42/78/58/1055427858.db2.gz ZUFUTEWEHPIWPU-NSHDSACASA-N 1 0 301.739 4.204 20 30 DIEDRO Cn1cc(C[N@H+](C)C/C=C/c2ccccc2)c2cc(C#N)ccc21 ZINC001237473847 1055457871 /nfs/dbraw/zinc/45/78/71/1055457871.db2.gz WTMSZCISCQSRDX-RMKNXTFCSA-N 1 0 315.420 4.195 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2csc(C#N)c2)c1 ZINC000921538564 1055486525 /nfs/dbraw/zinc/48/65/25/1055486525.db2.gz SNSXDLBIMWLTIK-CYBMUJFWSA-N 1 0 300.427 4.258 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237643701 1055493699 /nfs/dbraw/zinc/49/36/99/1055493699.db2.gz AVPKRUCSJLEOTC-OAHLLOKOSA-N 1 0 309.384 4.044 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)C1 ZINC001620867233 1055493957 /nfs/dbraw/zinc/49/39/57/1055493957.db2.gz ZZZKUAKORXECIJ-UHOSZYNNSA-N 1 0 323.484 4.446 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1nccc2ccccc21)c1ccccc1 ZINC001620867790 1055494220 /nfs/dbraw/zinc/49/42/20/1055494220.db2.gz BDVDEQQFNXTYLU-LJQANCHMSA-N 1 0 301.393 4.369 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnc(N(C)C)s1)c1ccccc1 ZINC001620868355 1055496924 /nfs/dbraw/zinc/49/69/24/1055496924.db2.gz AFLLREHUIYEWMC-INIZCTEOSA-N 1 0 301.459 4.006 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC001237661126 1055497865 /nfs/dbraw/zinc/49/78/65/1055497865.db2.gz CFWKEXWMDAYZED-UHFFFAOYSA-N 1 0 312.363 4.367 20 30 DIEDRO CC1(C)C[C@H](Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001620876009 1055503509 /nfs/dbraw/zinc/50/35/09/1055503509.db2.gz ANOZPMAWOYGVIH-IBGZPJMESA-N 1 0 305.425 4.023 20 30 DIEDRO CC1(C)C[C@@H](Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001620876010 1055504024 /nfs/dbraw/zinc/50/40/24/1055504024.db2.gz ANOZPMAWOYGVIH-LJQANCHMSA-N 1 0 305.425 4.023 20 30 DIEDRO C=CC[C@H](CO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001620884837 1055509287 /nfs/dbraw/zinc/50/92/87/1055509287.db2.gz YJABTSAINMIHKK-INIZCTEOSA-N 1 0 305.421 4.267 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001237751458 1055522352 /nfs/dbraw/zinc/52/23/52/1055522352.db2.gz KBRLYQXXUPYITL-INIZCTEOSA-N 1 0 314.791 4.340 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(Cl)c2)cc1 ZINC000765625957 1055523816 /nfs/dbraw/zinc/52/38/16/1055523816.db2.gz LUMHKGRWVKQIMF-ZDUSSCGKSA-N 1 0 317.791 4.342 20 30 DIEDRO C[N@H+](CCc1cccc(F)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001237756170 1055526715 /nfs/dbraw/zinc/52/67/15/1055526715.db2.gz WRGZVLFFPQOKKN-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)c1 ZINC001237790868 1055528117 /nfs/dbraw/zinc/52/81/17/1055528117.db2.gz WLNRALALGIPFKK-UHFFFAOYSA-N 1 0 323.465 4.272 20 30 DIEDRO C=C[C@H](COC)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001620909456 1055533427 /nfs/dbraw/zinc/53/34/27/1055533427.db2.gz LJVALWJVWBVVIC-MRXNPFEDSA-N 1 0 319.489 4.278 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC001620916913 1055539810 /nfs/dbraw/zinc/53/98/10/1055539810.db2.gz JTMLFKXXPOAUJL-YLJYHZDGSA-N 1 0 311.425 4.326 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCCOC2CCCCC2)cc1 ZINC000387014404 1055539982 /nfs/dbraw/zinc/53/99/82/1055539982.db2.gz HJRMIPQTCZQPAD-UHFFFAOYSA-N 1 0 303.446 4.080 20 30 DIEDRO Cc1cccc(OCCC[NH2+]Cc2ccc(C#N)c(C)c2)c1C ZINC001620924478 1055545705 /nfs/dbraw/zinc/54/57/05/1055545705.db2.gz XJPCQXRUHCLGQJ-UHFFFAOYSA-N 1 0 308.425 4.042 20 30 DIEDRO C#CCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1F ZINC001620926298 1055546110 /nfs/dbraw/zinc/54/61/10/1055546110.db2.gz NWYKOUNMNRWBNO-UHFFFAOYSA-N 1 0 315.363 4.047 20 30 DIEDRO C=C(C)C[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC001620934943 1055548937 /nfs/dbraw/zinc/54/89/37/1055548937.db2.gz UETACMBYEBHTBH-UHFFFAOYSA-N 1 0 320.177 4.025 20 30 DIEDRO CC(C)(C)C1CC([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC001620952159 1055570580 /nfs/dbraw/zinc/57/05/80/1055570580.db2.gz JOEHBCIYSXIPRX-UHFFFAOYSA-N 1 0 321.262 4.235 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001168553784 1055573661 /nfs/dbraw/zinc/57/36/61/1055573661.db2.gz XAMKXBWBACDGMP-FOGDFJRCSA-N 1 0 314.763 4.284 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001620957617 1055581506 /nfs/dbraw/zinc/58/15/06/1055581506.db2.gz LUUFAFKODROLKC-DAXOMENPSA-N 1 0 313.363 4.073 20 30 DIEDRO COc1ccccc1[C@H](C)N(C)Cc1ccc(C#N)cc1Cl ZINC001238086869 1055602588 /nfs/dbraw/zinc/60/25/88/1055602588.db2.gz PJUWORIXRZYQPR-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO N#Cc1cc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)ccc1Cl ZINC001238198619 1055617062 /nfs/dbraw/zinc/61/70/62/1055617062.db2.gz LYUNNLONRWQPQX-IYBDPMFKSA-N 1 0 308.812 4.298 20 30 DIEDRO C(#CC1CC[NH+](Cc2cncc(C3CC3)c2)CC1)c1ccccc1 ZINC001238192364 1055618577 /nfs/dbraw/zinc/61/85/77/1055618577.db2.gz CIFRGUUIOWKXAW-UHFFFAOYSA-N 1 0 316.448 4.223 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)ccc1C#N ZINC001238408029 1055653376 /nfs/dbraw/zinc/65/33/76/1055653376.db2.gz WWYKUTALWHERLA-SFHVURJKSA-N 1 0 320.436 4.022 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2F)ccc1C#N ZINC001238407519 1055653467 /nfs/dbraw/zinc/65/34/67/1055653467.db2.gz OYLMNQPGCCEVJT-SFHVURJKSA-N 1 0 310.372 4.043 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)ccc1C#N ZINC001238413342 1055653796 /nfs/dbraw/zinc/65/37/96/1055653796.db2.gz NJCZOTFZVXXEPI-LJQANCHMSA-N 1 0 306.409 4.212 20 30 DIEDRO N#Cc1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cs1 ZINC000921628678 1055682602 /nfs/dbraw/zinc/68/26/02/1055682602.db2.gz QKLKCSVNGVLHEY-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO CC(C)(CC#N)C[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC001620965847 1055684047 /nfs/dbraw/zinc/68/40/47/1055684047.db2.gz WOMJTIUUVGMFBZ-UHFFFAOYSA-N 1 0 323.278 4.256 20 30 DIEDRO C=CC[N@@H+](Cc1cnc(F)c(OC(C)C)c1)C1CCCCC1 ZINC001238596925 1055694300 /nfs/dbraw/zinc/69/43/00/1055694300.db2.gz YMRUYUOUVDEUAH-UHFFFAOYSA-N 1 0 306.425 4.329 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cnc1-c1ccccc1 ZINC001238611415 1055696696 /nfs/dbraw/zinc/69/66/96/1055696696.db2.gz INMMDWYHUHEUHG-KRWDZBQOSA-N 1 0 305.425 4.183 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3OC)c2)C1 ZINC001238637808 1055707514 /nfs/dbraw/zinc/70/75/14/1055707514.db2.gz UKTPOSQBJHRBOD-INIZCTEOSA-N 1 0 323.411 4.347 20 30 DIEDRO CSc1ccc(Cl)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238678032 1055718682 /nfs/dbraw/zinc/71/86/82/1055718682.db2.gz SFHLYNFNARJETN-UWEBFBLFSA-N 1 0 306.862 4.328 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001538853999 1055735935 /nfs/dbraw/zinc/73/59/35/1055735935.db2.gz YQWBTGHFNGLXMP-BZSNNMDCSA-N 1 0 310.526 4.172 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(C)c1OC(C)C ZINC001238752009 1055740064 /nfs/dbraw/zinc/74/00/64/1055740064.db2.gz QYKOSASQYKRJEY-QGZVFWFLSA-N 1 0 300.446 4.216 20 30 DIEDRO CCc1cc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)ccc1C#N ZINC001238768985 1055744318 /nfs/dbraw/zinc/74/43/18/1055744318.db2.gz NZUVFPUARTUQJS-FQEVSTJZSA-N 1 0 305.425 4.161 20 30 DIEDRO CCc1cc(C[NH+]2CCC(c3ccc(O)cc3)CC2)ccc1C#N ZINC001238770114 1055745449 /nfs/dbraw/zinc/74/54/49/1055745449.db2.gz YDQHEMNQPDQHGP-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO Cc1cc(F)cc(CN(C)Cc2cccc(C#N)c2)c1Cl ZINC001238784359 1055749908 /nfs/dbraw/zinc/74/99/08/1055749908.db2.gz OTJAHRCMHFFVLI-UHFFFAOYSA-N 1 0 302.780 4.291 20 30 DIEDRO Cc1cc(F)cc(Cl)c1CN(C)Cc1cccc(C#N)c1 ZINC001238783829 1055750364 /nfs/dbraw/zinc/75/03/64/1055750364.db2.gz BPGRKNPAEHBGFK-UHFFFAOYSA-N 1 0 302.780 4.291 20 30 DIEDRO CCc1cc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)ccc1C#N ZINC001238779052 1055751234 /nfs/dbraw/zinc/75/12/34/1055751234.db2.gz SVTAULXIOZGVES-HNNXBMFYSA-N 1 0 308.425 4.322 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC001168578819 1055754003 /nfs/dbraw/zinc/75/40/03/1055754003.db2.gz FMIAWGWURRTWQY-NHCUHLMSSA-N 1 0 322.452 4.359 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001566282124 1055757587 /nfs/dbraw/zinc/75/75/87/1055757587.db2.gz JFXPDBYKNRKYSI-MOPGFXCFSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001566295976 1055759791 /nfs/dbraw/zinc/75/97/91/1055759791.db2.gz YYQZBNGZWGETTD-QZTJIDSGSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC001566428955 1055772933 /nfs/dbraw/zinc/77/29/33/1055772933.db2.gz OWXZASXBMOSGGR-KAUXGEHWSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnn(C(F)F)c2)cc1 ZINC001238869538 1055773392 /nfs/dbraw/zinc/77/33/92/1055773392.db2.gz LRVDUISXLYWJJK-INIZCTEOSA-N 1 0 303.356 4.268 20 30 DIEDRO C=CCCC[C@H](C(=O)Nc1cc(N(C)C)cc[nH+]1)c1ccccc1 ZINC001566819048 1055783165 /nfs/dbraw/zinc/78/31/65/1055783165.db2.gz PXQQEZZAUCQZTQ-SFHVURJKSA-N 1 0 323.440 4.226 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC001566990377 1055788709 /nfs/dbraw/zinc/78/87/09/1055788709.db2.gz XVTFYOVZVXWBRX-OKZBNKHCSA-N 1 0 310.526 4.314 20 30 DIEDRO CCCCCCCCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001597189246 1055799430 /nfs/dbraw/zinc/79/94/30/1055799430.db2.gz CIADERSVIMMMPU-IEBWSBKVSA-N 1 0 310.526 4.364 20 30 DIEDRO Cc1cc(C[NH2+][C@](C)(Cc2ccccc2)C2CC2)ccc1C#N ZINC001620973927 1055806455 /nfs/dbraw/zinc/80/64/55/1055806455.db2.gz VPAFLKZZZDOHNQ-OAQYLSRUSA-N 1 0 304.437 4.368 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001620974256 1055810872 /nfs/dbraw/zinc/81/08/72/1055810872.db2.gz HJGRFACZWPHHAL-IRLDBZIGSA-N 1 0 316.448 4.473 20 30 DIEDRO C=CCCC[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001597536977 1055844582 /nfs/dbraw/zinc/84/45/82/1055844582.db2.gz CIZVGPNASZFBBN-QGZVFWFLSA-N 1 0 314.473 4.147 20 30 DIEDRO CC[NH+](CC)CCn1cc(-c2ccc([C@H](C#N)C(C)C)cc2)cn1 ZINC001239208239 1055850377 /nfs/dbraw/zinc/85/03/77/1055850377.db2.gz ISZFNESHUOKUKC-HXUWFJFHSA-N 1 0 324.472 4.155 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001239276337 1055856626 /nfs/dbraw/zinc/85/66/26/1055856626.db2.gz BIQICRTWCHKMBZ-PKOBYXMFSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001239274937 1055857027 /nfs/dbraw/zinc/85/70/27/1055857027.db2.gz ACBUKLKZJQUPDU-ROUUACIJSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N1CC[C@]2(CC[NH2+]2)C1 ZINC001239278439 1055858452 /nfs/dbraw/zinc/85/84/52/1055858452.db2.gz RAMKXMAUFFJLRZ-LJQANCHMSA-N 1 0 323.525 4.055 20 30 DIEDRO N#Cc1ccc(/C=C/c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)cc1 ZINC001239291029 1055858646 /nfs/dbraw/zinc/85/86/46/1055858646.db2.gz CHOWBAVQDARZSJ-DAFODLJHSA-N 1 0 314.432 4.296 20 30 DIEDRO CCCCCCCCCOC(=O)NCc1cccc(C[NH3+])c1 ZINC001239319369 1055867667 /nfs/dbraw/zinc/86/76/67/1055867667.db2.gz FGLPIGDNTIWBSW-UHFFFAOYSA-N 1 0 306.450 4.122 20 30 DIEDRO CCCCCCCCCOC(=O)NCc1ccccc1C[NH3+] ZINC001239323230 1055869925 /nfs/dbraw/zinc/86/99/25/1055869925.db2.gz RCPNKNZFNZXBLR-UHFFFAOYSA-N 1 0 306.450 4.122 20 30 DIEDRO CCCCCCCCOC(=O)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001239330505 1055873250 /nfs/dbraw/zinc/87/32/50/1055873250.db2.gz VJOWBWIEYKYBDL-SFHVURJKSA-N 1 0 310.482 4.092 20 30 DIEDRO CCCCCCCCCCOC(=O)N1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001239328857 1055873307 /nfs/dbraw/zinc/87/33/07/1055873307.db2.gz OKPOGZJJPYMQHV-HZPDHXFCSA-N 1 0 316.461 4.025 20 30 DIEDRO CCCCCCCCCOC(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001239330014 1055873672 /nfs/dbraw/zinc/87/36/72/1055873672.db2.gz KEEJYQPGMWERKM-UHFFFAOYSA-N 1 0 310.482 4.092 20 30 DIEDRO CCCCCCCCCCOC(=O)N[C@H](C(C)C)C1C[NH2+]C1 ZINC001239326989 1055873865 /nfs/dbraw/zinc/87/38/65/1055873865.db2.gz LDAQXDNPNJTXEF-QGZVFWFLSA-N 1 0 312.498 4.097 20 30 DIEDRO CCCCCCCCCCCCNC(=S)N(C)CCC[NH3+] ZINC001239434767 1055889751 /nfs/dbraw/zinc/88/97/51/1055889751.db2.gz NTKPNYXUAWNGAK-UHFFFAOYSA-N 1 0 315.571 4.062 20 30 DIEDRO C=CC1(CC(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)CCCCC1 ZINC001539747363 1055896358 /nfs/dbraw/zinc/89/63/58/1055896358.db2.gz WHJRKLKMWODFDO-ZWKOTPCHSA-N 1 0 320.521 4.234 20 30 DIEDRO C[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001615645449 1055927259 /nfs/dbraw/zinc/92/72/59/1055927259.db2.gz YZOQHVPBYCJISK-KBPBESRZSA-N 1 0 311.347 4.057 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001615645452 1055928496 /nfs/dbraw/zinc/92/84/96/1055928496.db2.gz YZOQHVPBYCJISK-ZIAGYGMSSA-N 1 0 311.347 4.057 20 30 DIEDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC001620759651 1055931521 /nfs/dbraw/zinc/93/15/21/1055931521.db2.gz GMNZKMYGZJPKTB-GXTWGEPZSA-N 1 0 321.262 4.237 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC001620759654 1055932186 /nfs/dbraw/zinc/93/21/86/1055932186.db2.gz GMNZKMYGZJPKTB-TZMCWYRMSA-N 1 0 321.262 4.237 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001598296503 1055934757 /nfs/dbraw/zinc/93/47/57/1055934757.db2.gz FYAQNUVCEANENG-VHTZEAEFSA-N 1 0 320.521 4.093 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CCCCCc1ccccc1 ZINC001620765615 1055935905 /nfs/dbraw/zinc/93/59/05/1055935905.db2.gz NMLZNCAATXWROP-UHFFFAOYSA-N 1 0 307.437 4.201 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@H]2CCCCO2)cc1Cl ZINC001620987351 1055961021 /nfs/dbraw/zinc/96/10/21/1055961021.db2.gz RUPLTIZGELMFSZ-FUHWJXTLSA-N 1 0 323.864 4.342 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC001620997969 1055966838 /nfs/dbraw/zinc/96/68/38/1055966838.db2.gz FWSSRPUHDKKZKT-UHFFFAOYSA-N 1 0 305.418 4.485 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC001621003966 1055970941 /nfs/dbraw/zinc/97/09/41/1055970941.db2.gz DPZZOQPDRUKCDP-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC001621004144 1055971150 /nfs/dbraw/zinc/97/11/50/1055971150.db2.gz KZDCCYFJBTXOJF-DLBZAZTESA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001620647277 1055976804 /nfs/dbraw/zinc/97/68/04/1055976804.db2.gz JRYPSMYCDMXOCA-OAHLLOKOSA-N 1 0 302.245 4.315 20 30 DIEDRO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001620664874 1055976904 /nfs/dbraw/zinc/97/69/04/1055976904.db2.gz PFODVFLIRRNDES-GFCCVEGCSA-N 1 0 319.330 4.131 20 30 DIEDRO CCCCCCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001620699126 1055981714 /nfs/dbraw/zinc/98/17/14/1055981714.db2.gz AENBZDDAQMUYMV-UHFFFAOYSA-N 1 0 318.505 4.098 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@H](c1ccccc1)C(C)C ZINC001620709293 1055983427 /nfs/dbraw/zinc/98/34/27/1055983427.db2.gz AXFXRYDGPRAGIW-FQEVSTJZSA-N 1 0 307.437 4.228 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)cc1OC ZINC001620798262 1055992960 /nfs/dbraw/zinc/99/29/60/1055992960.db2.gz YVXKWIJQXRPKDB-ZMSDIMECSA-N 1 0 303.446 4.174 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC001621061242 1056016661 /nfs/dbraw/zinc/01/66/61/1056016661.db2.gz FLUMFGJBMIZLEZ-UHFFFAOYSA-N 1 0 301.430 4.072 20 30 DIEDRO C[C@H]1CC[C@@H](Nc2cccc(CC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001621341515 1056050549 /nfs/dbraw/zinc/05/05/49/1056050549.db2.gz QHBBWTYUOIXZPG-LAUBAEHRSA-N 1 0 319.452 4.218 20 30 DIEDRO CCCCCCCCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001540762735 1056072303 /nfs/dbraw/zinc/07/23/03/1056072303.db2.gz GZTHKIDJJAWDIJ-UHFFFAOYSA-N 1 0 301.434 4.123 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccccc2)cc1C ZINC001540820154 1056082972 /nfs/dbraw/zinc/08/29/72/1056082972.db2.gz HIQHNYXDNXSYBT-UHFFFAOYSA-N 1 0 308.425 4.108 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000186323110 1056101529 /nfs/dbraw/zinc/10/15/29/1056101529.db2.gz LXCLQODDIPTPLK-RXVVDRJESA-N 1 0 320.436 4.124 20 30 DIEDRO CC(C)n1cc2c(n1)[C@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000765812470 1056155691 /nfs/dbraw/zinc/15/56/91/1056155691.db2.gz BCFUWWVMOWMJEQ-KBXCAEBGSA-N 1 0 308.429 4.064 20 30 DIEDRO CC(C)n1cc2c(n1)[C@H](N[C@H](C)c1cccc(C#N)c1)CCC2 ZINC000765812473 1056155714 /nfs/dbraw/zinc/15/57/14/1056155714.db2.gz BCFUWWVMOWMJEQ-RDTXWAMCSA-N 1 0 308.429 4.064 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2cc(F)c(C#N)c(F)c2)c1 ZINC001239931848 1056167259 /nfs/dbraw/zinc/16/72/59/1056167259.db2.gz WVTPEZBMIIKFNV-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO CC(C)Oc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1 ZINC001239961265 1056199905 /nfs/dbraw/zinc/19/99/05/1056199905.db2.gz VTPQVHUXHRJJGM-UHFFFAOYSA-N 1 0 320.436 4.286 20 30 DIEDRO CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC001168623394 1056216997 /nfs/dbraw/zinc/21/69/97/1056216997.db2.gz VAKUCRYKSSKUGY-GOSISDBHSA-N 1 0 300.352 4.120 20 30 DIEDRO CCC(CC)(CNc1cccc(C#N)n1)[NH2+][C@@H](C)c1ccccc1 ZINC001611967979 1056217217 /nfs/dbraw/zinc/21/72/17/1056217217.db2.gz SLQLSZJYZGSPAR-INIZCTEOSA-N 1 0 322.456 4.275 20 30 DIEDRO C=C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1)c1ccccc1 ZINC001168632047 1056256584 /nfs/dbraw/zinc/25/65/84/1056256584.db2.gz XIZIBMCEVVOVCX-HMXCVIKNSA-N 1 0 323.436 4.432 20 30 DIEDRO N#Cc1cc2c(cccc2-c2ccc(C[NH+]3CCCC3)cc2)[nH]1 ZINC001240059927 1056295153 /nfs/dbraw/zinc/29/51/53/1056295153.db2.gz PFEGXUGWCUZRBH-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO N#Cc1nccc2cc(-c3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC001240060676 1056297322 /nfs/dbraw/zinc/29/73/22/1056297322.db2.gz SYJSQZZENQCQKW-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO N#Cc1cnc2cc(-c3ccc(C[NH+]4CCCC4)cc3)ccc2c1 ZINC001240060671 1056298933 /nfs/dbraw/zinc/29/89/33/1056298933.db2.gz SSLGYEHZANGVJG-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCOC1 ZINC000107687240 1056305232 /nfs/dbraw/zinc/30/52/32/1056305232.db2.gz VDAATURFCINBRE-GOSISDBHSA-N 1 0 320.436 4.084 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001584351623 1056323530 /nfs/dbraw/zinc/32/35/30/1056323530.db2.gz XJKAVWZFDVYKKV-SJORKVTESA-N 1 0 310.526 4.362 20 30 DIEDRO CC[NH+](CC)CC[C@H](Nc1cc(C#N)cc(C)n1)c1ccccc1 ZINC001613069166 1056347997 /nfs/dbraw/zinc/34/79/97/1056347997.db2.gz SUAGEIRUKSMXOY-IBGZPJMESA-N 1 0 322.456 4.147 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(C#N)c(F)c2)nc1 ZINC001240145307 1056353045 /nfs/dbraw/zinc/35/30/45/1056353045.db2.gz CEHUIUFTYQAQFW-CQSZACIVSA-N 1 0 309.388 4.134 20 30 DIEDRO Cc1ccc(CC#N)c(-c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC001240168475 1056359570 /nfs/dbraw/zinc/35/95/70/1056359570.db2.gz MISMJXYFZIPAPW-UHFFFAOYSA-N 1 0 305.425 4.109 20 30 DIEDRO N#CC1(c2ccnc(-c3cccc(C[NH+]4CCCCC4)c3)c2)CC1 ZINC001240168480 1056360739 /nfs/dbraw/zinc/36/07/39/1056360739.db2.gz MOZZBWCQRKTYRE-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO N#CC1(c2ccc(-c3cccc(C[NH+]4CCCCC4)c3)nc2)CC1 ZINC001240162656 1056360840 /nfs/dbraw/zinc/36/08/40/1056360840.db2.gz ZITWLNYHMQYHLO-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000303703356 1056403055 /nfs/dbraw/zinc/40/30/55/1056403055.db2.gz BJASOHREXVNNOQ-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO C=CCC1(C(=O)N(C)CC[N@H+](C)C2CCCCC2)CCCCC1 ZINC001584827611 1056429059 /nfs/dbraw/zinc/42/90/59/1056429059.db2.gz KOLVUIHWOVCNEU-UHFFFAOYSA-N 1 0 320.521 4.236 20 30 DIEDRO Cc1ccc2c(C)cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)nc2c1 ZINC001240342899 1056436783 /nfs/dbraw/zinc/43/67/83/1056436783.db2.gz CXYPMACPHOFHKJ-UHFFFAOYSA-N 1 0 313.404 4.077 20 30 DIEDRO N#Cc1cc(-c2cccc(F)c2C(F)(F)F)cc(C2C[NH2+]C2)c1 ZINC001240345932 1056439256 /nfs/dbraw/zinc/43/92/56/1056439256.db2.gz UZZTXOSCJNWUPC-UHFFFAOYSA-N 1 0 320.289 4.070 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001584897675 1056440451 /nfs/dbraw/zinc/44/04/51/1056440451.db2.gz SVCKOXYYXKQBMS-XOVFHRFOSA-N 1 0 308.510 4.236 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c1 ZINC000921741814 1056441207 /nfs/dbraw/zinc/44/12/07/1056441207.db2.gz ITKBAIAXRFMCSX-LZLYRXPVSA-N 1 0 318.486 4.131 20 30 DIEDRO N#Cc1cc(-c2ccc3c(c2)Cc2ccccc2-3)cc(C2C[NH2+]C2)c1 ZINC001240351759 1056442521 /nfs/dbraw/zinc/44/25/21/1056442521.db2.gz YJGMLKDDEJKMBM-UHFFFAOYSA-N 1 0 322.411 4.483 20 30 DIEDRO COCC#CC[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001168656466 1056444973 /nfs/dbraw/zinc/44/49/73/1056444973.db2.gz CEGBVYJFRJKEJZ-SFHVURJKSA-N 1 0 305.849 4.201 20 30 DIEDRO Cc1ccc(OC(C)C)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240360750 1056445288 /nfs/dbraw/zinc/44/52/88/1056445288.db2.gz GWCIDVAKCKETHG-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO COc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c(C(C)C)c1 ZINC001240360664 1056445508 /nfs/dbraw/zinc/44/55/08/1056445508.db2.gz DUTMMZZWESVYHE-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)c1ccc(C#N)cc1 ZINC000554838915 1056446904 /nfs/dbraw/zinc/44/69/04/1056446904.db2.gz AVZPYZCDVZBGOR-CQSZACIVSA-N 1 0 303.365 4.064 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2nc3c(cc2C#N)CCCC3)cc1 ZINC001240366663 1056452294 /nfs/dbraw/zinc/45/22/94/1056452294.db2.gz RQKPGXWBBMWAHD-UHFFFAOYSA-N 1 0 319.452 4.387 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+]C(C)(C)C)cc2)c(C#N)c(C)c1C ZINC001240367935 1056454020 /nfs/dbraw/zinc/45/40/20/1056454020.db2.gz JUNVOTMCBHMLGN-UHFFFAOYSA-N 1 0 307.441 4.434 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(C(C)(C)C#N)nc2)cc1 ZINC001240373338 1056460719 /nfs/dbraw/zinc/46/07/19/1056460719.db2.gz FJYHBIQGRQXWBP-UHFFFAOYSA-N 1 0 307.441 4.438 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(F)c(C#N)c2F)cc1 ZINC001240376593 1056460814 /nfs/dbraw/zinc/46/08/14/1056460814.db2.gz YVDHVQXRYZVAJJ-UHFFFAOYSA-N 1 0 300.352 4.392 20 30 DIEDRO C=CC1(CC(=O)N2CCC(C[NH+](CC)CC)CC2)CCCCC1 ZINC001544621386 1056467729 /nfs/dbraw/zinc/46/77/29/1056467729.db2.gz QNTVCUHMLIDGSO-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO N#Cc1cc2[nH]ccc2c(C2=CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001240387005 1056469397 /nfs/dbraw/zinc/46/93/97/1056469397.db2.gz KUCANIGUJHYPTE-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO CCC[N@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC001615170059 1056469565 /nfs/dbraw/zinc/46/95/65/1056469565.db2.gz WBPROCVUSYZYQM-YLJYHZDGSA-N 1 0 314.473 4.366 20 30 DIEDRO CO/N=C/c1cc(C2=CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC001240388649 1056471260 /nfs/dbraw/zinc/47/12/60/1056471260.db2.gz JHCDSKVNFVMALF-LPYMAVHISA-N 1 0 324.399 4.095 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001615229579 1056479929 /nfs/dbraw/zinc/47/99/29/1056479929.db2.gz KXDUQCKZICKXNN-CVEARBPZSA-N 1 0 314.256 4.240 20 30 DIEDRO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@@H](c2ccccc2)O1 ZINC001615245449 1056481909 /nfs/dbraw/zinc/48/19/09/1056481909.db2.gz IKRFMKVSZZVXMC-MJGOQNOKSA-N 1 0 312.457 4.313 20 30 DIEDRO CCCCCCCCC[N@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC001615239551 1056483083 /nfs/dbraw/zinc/48/30/83/1056483083.db2.gz FPMFHJVFDVPJAC-SFHVURJKSA-N 1 0 311.510 4.397 20 30 DIEDRO N#Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC001615252275 1056483858 /nfs/dbraw/zinc/48/38/58/1056483858.db2.gz XYBTYXKLCWOEBZ-OAQYLSRUSA-N 1 0 313.404 4.444 20 30 DIEDRO C#CC[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615265766 1056484089 /nfs/dbraw/zinc/48/40/89/1056484089.db2.gz WWHYHRAHWUGSSI-AZUAARDMSA-N 1 0 309.453 4.101 20 30 DIEDRO C#CC[N@H+](C[C@@H]1CCCC12CCOCC2)[C@@H]1CCc2ccccc21 ZINC001615272072 1056485103 /nfs/dbraw/zinc/48/51/03/1056485103.db2.gz HVWBXFMBJVCMRX-PZJWPPBQSA-N 1 0 323.480 4.206 20 30 DIEDRO C#CC[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCc2ccccc21 ZINC001615265768 1056485324 /nfs/dbraw/zinc/48/53/24/1056485324.db2.gz WWHYHRAHWUGSSI-ICSRJNTNSA-N 1 0 309.453 4.101 20 30 DIEDRO C#CC[N@H+](CCCCC1(C#N)CCC1)[C@@H]1CCc2ccccc21 ZINC001615272306 1056487256 /nfs/dbraw/zinc/48/72/56/1056487256.db2.gz LVTZKDMSNCWWIY-HXUWFJFHSA-N 1 0 306.453 4.473 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCCN(c2nccs2)CC1 ZINC001615280471 1056487625 /nfs/dbraw/zinc/48/76/25/1056487625.db2.gz SXQIXNBEHNGWMH-UHFFFAOYSA-N 1 0 309.523 4.406 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC001615313398 1056491476 /nfs/dbraw/zinc/49/14/76/1056491476.db2.gz AVVNZPMLQJAARJ-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC2(CCC2)O1 ZINC001615332029 1056494480 /nfs/dbraw/zinc/49/44/80/1056494480.db2.gz GQDKOBSZTOZMAU-IBGZPJMESA-N 1 0 312.457 4.260 20 30 DIEDRO C#CC[N@@H+](CCOc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC001615367477 1056499348 /nfs/dbraw/zinc/49/93/48/1056499348.db2.gz XJNUYOFDXDEEDL-UHFFFAOYSA-N 1 0 309.812 4.126 20 30 DIEDRO C=CCCCCC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC001615406113 1056504861 /nfs/dbraw/zinc/50/48/61/1056504861.db2.gz RTLPYEHENKGFHE-QGZVFWFLSA-N 1 0 301.430 4.341 20 30 DIEDRO C=C1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC001615441282 1056509492 /nfs/dbraw/zinc/50/94/92/1056509492.db2.gz RGYCYORZFXEWQN-INIZCTEOSA-N 1 0 306.247 4.479 20 30 DIEDRO C#CCCCCCCN1CCO[C@@H](c2ccccc2Cl)C1 ZINC001615476557 1056515571 /nfs/dbraw/zinc/51/55/71/1056515571.db2.gz AXDZVHFPSSLJCG-GOSISDBHSA-N 1 0 305.849 4.297 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC001615481148 1056516196 /nfs/dbraw/zinc/51/61/96/1056516196.db2.gz IBYPXRCYZXLHBC-OAQYLSRUSA-N 1 0 304.437 4.306 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1)CC1CCCCC1 ZINC001615506297 1056522949 /nfs/dbraw/zinc/52/29/49/1056522949.db2.gz YKWGCCQYWSXJJP-UHFFFAOYSA-N 1 0 318.436 4.223 20 30 DIEDRO C=CC[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)CC1CCCCC1 ZINC001615506127 1056523812 /nfs/dbraw/zinc/52/38/12/1056523812.db2.gz WDCFEEMTYXFPTO-LJQANCHMSA-N 1 0 321.892 4.312 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001615507340 1056524354 /nfs/dbraw/zinc/52/43/54/1056524354.db2.gz AEVQIYGZRBZDPG-OAHLLOKOSA-N 1 0 312.844 4.317 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC001168676963 1056524467 /nfs/dbraw/zinc/52/44/67/1056524467.db2.gz MUJOSUOIUHYEGG-GOSISDBHSA-N 1 0 314.816 4.331 20 30 DIEDRO Cc1ccc(CNCc2csc(C#N)c2)c(OCC2CC2)c1 ZINC000921831628 1056526541 /nfs/dbraw/zinc/52/65/41/1056526541.db2.gz YSBXQFFCBHCRBR-UHFFFAOYSA-N 1 0 312.438 4.007 20 30 DIEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000921833310 1056529294 /nfs/dbraw/zinc/52/92/94/1056529294.db2.gz VLPSWIXKJVECNH-CQSZACIVSA-N 1 0 311.454 4.071 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)CCC)cc1 ZINC000765940443 1056530027 /nfs/dbraw/zinc/53/00/27/1056530027.db2.gz DYIMUXPMQBPVTL-RHSMWYFYSA-N 1 0 311.853 4.020 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001615578452 1056540587 /nfs/dbraw/zinc/54/05/87/1056540587.db2.gz SXPTZUSNWOFGHI-CVEARBPZSA-N 1 0 306.475 4.035 20 30 DIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001615583415 1056541018 /nfs/dbraw/zinc/54/10/18/1056541018.db2.gz KOEAIIJPFRCDNK-MRXNPFEDSA-N 1 0 315.417 4.257 20 30 DIEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001615826524 1056582652 /nfs/dbraw/zinc/58/26/52/1056582652.db2.gz RSIOYKQKGCRGTK-NVXWUHKLSA-N 1 0 308.400 4.150 20 30 DIEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001615989131 1056603946 /nfs/dbraw/zinc/60/39/46/1056603946.db2.gz XBCBYRWZWYOGTA-LPHOPBHVSA-N 1 0 300.446 4.228 20 30 DIEDRO C=C(CC)C[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001616012564 1056604957 /nfs/dbraw/zinc/60/49/57/1056604957.db2.gz AZNNAYMHUZOODJ-YJBOKZPZSA-N 1 0 310.482 4.016 20 30 DIEDRO C=CCCCC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001616014177 1056605721 /nfs/dbraw/zinc/60/57/21/1056605721.db2.gz WFNOWJFUBJRBEI-VQIMIIECSA-N 1 0 324.509 4.406 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)CCc2ccc(C#N)cc2)C1(CC)CC ZINC001615999675 1056606094 /nfs/dbraw/zinc/60/60/94/1056606094.db2.gz TURRKPOXXJSTEV-RBUKOAKNSA-N 1 0 314.473 4.016 20 30 DIEDRO C=CCCCC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001616050375 1056608913 /nfs/dbraw/zinc/60/89/13/1056608913.db2.gz CEYVDOSMKRGTNH-UHFFFAOYSA-N 1 0 310.445 4.007 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(O)c(OC)c2)cc1 ZINC001240619630 1056617439 /nfs/dbraw/zinc/61/74/39/1056617439.db2.gz RBAFLIBRGGNSGD-SFHVURJKSA-N 1 0 309.409 4.391 20 30 DIEDRO C[C@H]1Cc2cc(C[NH2+][C@H](CCC#N)c3ccccc3)ccc2O1 ZINC000921923284 1056624888 /nfs/dbraw/zinc/62/48/88/1056624888.db2.gz JUCMSYGOCCTMCR-HNAYVOBHSA-N 1 0 306.409 4.145 20 30 DIEDRO C=C(C)CN(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001616321971 1056632946 /nfs/dbraw/zinc/63/29/46/1056632946.db2.gz KBHXFMYHFRKQNP-UHFFFAOYSA-N 1 0 308.469 4.197 20 30 DIEDRO C[C@@H](Nc1ccc(F)cc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310141681 1056633618 /nfs/dbraw/zinc/63/36/18/1056633618.db2.gz NDJLTBBFULWIJW-NVXWUHKLSA-N 1 0 323.415 4.020 20 30 DIEDRO C[C@H](Nc1cccc(F)c1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310171984 1056633784 /nfs/dbraw/zinc/63/37/84/1056633784.db2.gz UGNLMEUEHBUYMZ-DOTOQJQBSA-N 1 0 323.415 4.020 20 30 DIEDRO N#Cc1cncc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)c1 ZINC001616323194 1056634993 /nfs/dbraw/zinc/63/49/93/1056634993.db2.gz SQECUVTWUJPKIR-RQWLHQTBSA-N 1 0 317.436 4.411 20 30 DIEDRO CCCOc1ccc2c(c1)CC[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC001616455149 1056660262 /nfs/dbraw/zinc/66/02/62/1056660262.db2.gz CEQSAIYRSJAIQU-INIZCTEOSA-N 1 0 320.436 4.466 20 30 DIEDRO CCCCCCCCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC001616505594 1056664926 /nfs/dbraw/zinc/66/49/26/1056664926.db2.gz IYSZCEWKRWYSTB-HNNXBMFYSA-N 1 0 309.416 4.372 20 30 DIEDRO COCC#CC[NH2+][C@@H](CCCCc1ccccc1)c1ccccc1 ZINC001616616567 1056686892 /nfs/dbraw/zinc/68/68/92/1056686892.db2.gz REAYDICOGNXTMU-QFIPXVFZSA-N 1 0 321.464 4.380 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC001616714017 1056704377 /nfs/dbraw/zinc/70/43/77/1056704377.db2.gz HCZWQUFOACAIPT-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO C#CC[C@H]([NH2+]CCc1c(F)cccc1Cl)c1ccccc1 ZINC001616786272 1056717294 /nfs/dbraw/zinc/71/72/94/1056717294.db2.gz GRMSUCNQGWQTNH-SFHVURJKSA-N 1 0 301.792 4.376 20 30 DIEDRO C[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)CC(C)(C)C ZINC001616920346 1056740732 /nfs/dbraw/zinc/74/07/32/1056740732.db2.gz AHSVCKLNSDYCCG-CRAIPNDOSA-N 1 0 300.446 4.004 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc2c(c1)CCCC2 ZINC001617056007 1056767122 /nfs/dbraw/zinc/76/71/22/1056767122.db2.gz VSVNKTQBIBOOMG-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO COc1ccccc1C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(C)C ZINC001617104360 1056776529 /nfs/dbraw/zinc/77/65/29/1056776529.db2.gz TXSRADLSGZVHBL-OXQOHEQNSA-N 1 0 322.452 4.485 20 30 DIEDRO CCCCCCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OCC)C1 ZINC001617316754 1056812434 /nfs/dbraw/zinc/81/24/34/1056812434.db2.gz DPWWAFSPVMZSNS-SJORKVTESA-N 1 0 312.498 4.194 20 30 DIEDRO N#Cc1cncc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC001617345914 1056816661 /nfs/dbraw/zinc/81/66/61/1056816661.db2.gz VRDCZMKKGFDORJ-NJYVYQBISA-N 1 0 317.436 4.111 20 30 DIEDRO Cc1cc2cc(C[NH2+]Cc3c(C)cc(C#N)cc3C)ccc2[nH]1 ZINC000922127187 1056827328 /nfs/dbraw/zinc/82/73/28/1056827328.db2.gz OMIXJJPFYXGCEG-UHFFFAOYSA-N 1 0 303.409 4.255 20 30 DIEDRO C=CCC[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001617547288 1056846274 /nfs/dbraw/zinc/84/62/74/1056846274.db2.gz RZXDKAAMKNAFOJ-UHFFFAOYSA-N 1 0 317.326 4.422 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2ccc(C(=O)OC)c(F)c2)CCCC1(C)C ZINC001617604929 1056856370 /nfs/dbraw/zinc/85/63/70/1056856370.db2.gz ZFWLKVAWFLVCCA-KRWDZBQOSA-N 1 0 319.420 4.179 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000078613012 1056860090 /nfs/dbraw/zinc/86/00/90/1056860090.db2.gz FTBJHLYHLARBRH-INIZCTEOSA-N 1 0 317.820 4.300 20 30 DIEDRO C#CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC001617627614 1056860463 /nfs/dbraw/zinc/86/04/63/1056860463.db2.gz IEDFLKWVFHYCSA-HAGHYFMRSA-N 1 0 305.506 4.222 20 30 DIEDRO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC001617620368 1056860752 /nfs/dbraw/zinc/86/07/52/1056860752.db2.gz DWXCDHYNAODJCK-KRWDZBQOSA-N 1 0 308.425 4.209 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC001617741965 1056876672 /nfs/dbraw/zinc/87/66/72/1056876672.db2.gz IMXMGVHGDYYHTK-FQEVSTJZSA-N 1 0 324.424 4.029 20 30 DIEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001618084332 1056921450 /nfs/dbraw/zinc/92/14/50/1056921450.db2.gz RRXSDCKAPCGTAW-ZBFHGGJFSA-N 1 0 320.274 4.115 20 30 DIEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001618084331 1056922031 /nfs/dbraw/zinc/92/20/31/1056922031.db2.gz RRXSDCKAPCGTAW-HOCLYGCPSA-N 1 0 320.274 4.115 20 30 DIEDRO CCCC[C@H](C)[N@H+](CCCC)CC(=O)Nc1ccc(C#N)cc1 ZINC001618102840 1056923216 /nfs/dbraw/zinc/92/32/16/1056923216.db2.gz VGPWTLAVUYSMIK-INIZCTEOSA-N 1 0 315.461 4.178 20 30 DIEDRO CC[N@H+](Cc1ncc(C)c(OC)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000067227298 1056928562 /nfs/dbraw/zinc/92/85/62/1056928562.db2.gz QBCYFAURDOGFIZ-MRXNPFEDSA-N 1 0 323.440 4.162 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(CO)ccc2F)cc1 ZINC001241154919 1056930959 /nfs/dbraw/zinc/93/09/59/1056930959.db2.gz OFCIGCIVOLKMSL-HXUWFJFHSA-N 1 0 311.400 4.308 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)c1 ZINC000115611711 1056943549 /nfs/dbraw/zinc/94/35/49/1056943549.db2.gz DZNRGIXZVUUZTH-UHFFFAOYSA-N 1 0 324.330 4.386 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000315637572 1056968917 /nfs/dbraw/zinc/96/89/17/1056968917.db2.gz VRMMLXYLOAFPIL-INIZCTEOSA-N 1 0 304.315 4.342 20 30 DIEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000315681299 1056969503 /nfs/dbraw/zinc/96/95/03/1056969503.db2.gz ZYBNDQIJJJLWDY-CQSZACIVSA-N 1 0 314.816 4.283 20 30 DIEDRO C#CCCCCCC[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC001168712102 1056971018 /nfs/dbraw/zinc/97/10/18/1056971018.db2.gz ITSCUCPGTCEYPM-UHFFFAOYSA-N 1 0 302.849 4.408 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000358378233 1056982770 /nfs/dbraw/zinc/98/27/70/1056982770.db2.gz UVAHOZLRHPNHIU-MRXNPFEDSA-N 1 0 324.262 4.009 20 30 DIEDRO N#CCCN(Cc1ccccc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168717212 1056990133 /nfs/dbraw/zinc/99/01/33/1056990133.db2.gz GVQIZFWMIYROOS-QGZVFWFLSA-N 1 0 310.828 4.223 20 30 DIEDRO N#CCCN(Cc1ccccc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168717208 1056990368 /nfs/dbraw/zinc/99/03/68/1056990368.db2.gz GVQIZFWMIYROOS-KRWDZBQOSA-N 1 0 310.828 4.223 20 30 DIEDRO CC(C)(NCc1csc(C#N)c1)c1nc2ccccc2s1 ZINC000922284062 1056997331 /nfs/dbraw/zinc/99/73/31/1056997331.db2.gz GXMSKDPFKAHBNQ-UHFFFAOYSA-N 1 0 313.451 4.254 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000069678860 1057009961 /nfs/dbraw/zinc/00/99/61/1057009961.db2.gz AYXSSZXCULZLCD-MRXNPFEDSA-N 1 0 316.351 4.401 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000922420998 1057023370 /nfs/dbraw/zinc/02/33/70/1057023370.db2.gz QVLGYFUPCQMDRO-ZNXRZULTSA-N 1 0 312.482 4.006 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000092191700 1057025148 /nfs/dbraw/zinc/02/51/48/1057025148.db2.gz LWSGJJRANJIOLS-UHFFFAOYSA-N 1 0 319.408 4.321 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(C)cnc2OC)cc1 ZINC001241367296 1057029049 /nfs/dbraw/zinc/02/90/49/1057029049.db2.gz JLKQXOSTXCOORL-IBGZPJMESA-N 1 0 308.425 4.389 20 30 DIEDRO Cc1cc(-c2ccc(C[NH+]3CCCCC3)cc2)nc(C)c1C#N ZINC001241388993 1057035503 /nfs/dbraw/zinc/03/55/03/1057035503.db2.gz LGTHQEWLBQBONU-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000922587115 1057037035 /nfs/dbraw/zinc/03/70/35/1057037035.db2.gz WJSOCPCYWQQPGU-FQEVSTJZSA-N 1 0 321.424 4.005 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1cc(F)ccc1OC ZINC000922621701 1057040594 /nfs/dbraw/zinc/04/05/94/1057040594.db2.gz NARJACQXJUBXLE-HNNXBMFYSA-N 1 0 304.390 4.008 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1C ZINC000922671878 1057047106 /nfs/dbraw/zinc/04/71/06/1057047106.db2.gz HAQPWKPXNMFPEX-HOTGVXAUSA-N 1 0 324.424 4.145 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000922770868 1057057848 /nfs/dbraw/zinc/05/78/48/1057057848.db2.gz BZEILFSNGLDIGP-JCCCHCCOSA-N 1 0 304.384 4.097 20 30 DIEDRO C[C@H](CF)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000673619230 1057062516 /nfs/dbraw/zinc/06/25/16/1057062516.db2.gz UIRGGBHTUITEJV-SSDOTTSWSA-N 1 0 303.221 4.172 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCSC4(CCC4)C3)cc2)CC1 ZINC000922840697 1057066887 /nfs/dbraw/zinc/06/68/87/1057066887.db2.gz QSDPDYCHISILAY-KRWDZBQOSA-N 1 0 312.482 4.150 20 30 DIEDRO CC[N@H+](Cc1cn2c(cccc2C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000125753713 1057079064 /nfs/dbraw/zinc/07/90/64/1057079064.db2.gz UHGIDNXLOQICKU-MRXNPFEDSA-N 1 0 318.424 4.098 20 30 DIEDRO N#CCc1cc(F)cc(C2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001241507815 1057079212 /nfs/dbraw/zinc/07/92/12/1057079212.db2.gz PWATVKPCUHADQS-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(SC)cc2)cc1C#N ZINC000282367258 1057085537 /nfs/dbraw/zinc/08/55/37/1057085537.db2.gz WQIRDQIPORLCCY-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1ccncc1 ZINC000766019512 1057110301 /nfs/dbraw/zinc/11/03/01/1057110301.db2.gz MDXFYZANEARTAS-KSSFIOAISA-N 1 0 312.413 4.067 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1ccncc1 ZINC000766019337 1057117474 /nfs/dbraw/zinc/11/74/74/1057117474.db2.gz LPHUKQRTTHIOLD-MEDUHNTESA-N 1 0 306.331 4.467 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 ZINC000766020515 1057118583 /nfs/dbraw/zinc/11/85/83/1057118583.db2.gz PYXUHOLQCSWCNE-OXQOHEQNSA-N 1 0 318.424 4.235 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000766021412 1057121764 /nfs/dbraw/zinc/12/17/64/1057121764.db2.gz SSZXBEWNOBGMQW-KSSFIOAISA-N 1 0 311.385 4.266 20 30 DIEDRO CCCOc1ccc(-c2ccc(/N=C/N(C)C)c(C#N)c2)cc1 ZINC001241747611 1057155104 /nfs/dbraw/zinc/15/51/04/1057155104.db2.gz KEZZGUVBDNPWGB-KGENOOAVSA-N 1 0 307.397 4.235 20 30 DIEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)CCC1 ZINC001307584137 1057156330 /nfs/dbraw/zinc/15/63/30/1057156330.db2.gz SYHKREVFTKDIAP-RTBURBONSA-N 1 0 318.505 4.256 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2sccc2Cl)c1 ZINC000785470292 1057159062 /nfs/dbraw/zinc/15/90/62/1057159062.db2.gz ZXTMSCDKLHBXTQ-CYBMUJFWSA-N 1 0 320.845 4.372 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000625701167 1057192484 /nfs/dbraw/zinc/19/24/84/1057192484.db2.gz HPOOEFHURHJINX-GFCCVEGCSA-N 1 0 304.340 4.018 20 30 DIEDRO Oc1ccc([C@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)cc1 ZINC000674248826 1057221717 /nfs/dbraw/zinc/22/17/17/1057221717.db2.gz BZVVYBQUKSCTBP-LJQANCHMSA-N 1 0 311.812 4.234 20 30 DIEDRO CC[C@H](C#N)c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001241996116 1057233573 /nfs/dbraw/zinc/23/35/73/1057233573.db2.gz WFGWOQZUVQBGTD-QGZVFWFLSA-N 1 0 320.436 4.203 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000658058371 1057246132 /nfs/dbraw/zinc/24/61/32/1057246132.db2.gz BFYPPXUKDJQWOF-ZGRYLRDCSA-N 1 0 317.477 4.383 20 30 DIEDRO C=CCC[N@H+](Cc1scc2c1OCCO2)Cc1ccccc1 ZINC001143186705 1057247466 /nfs/dbraw/zinc/24/74/66/1057247466.db2.gz AHGCUXRDOPTVFY-UHFFFAOYSA-N 1 0 315.438 4.098 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)C2CCC2)cc1 ZINC000922892486 1057249527 /nfs/dbraw/zinc/24/95/27/1057249527.db2.gz PUUNGNCVFVHUAW-FQEVSTJZSA-N 1 0 306.409 4.198 20 30 DIEDRO N#Cc1cc2ccccc2nc1-c1cccc(C[NH+]2CCCC2)c1 ZINC001242116732 1057267334 /nfs/dbraw/zinc/26/73/34/1057267334.db2.gz OZYYFDKUXOMCHH-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO N#Cc1cc2c(cccc2-c2cccc(C[NH+]3CCCC3)c2)[nH]1 ZINC001242118145 1057267868 /nfs/dbraw/zinc/26/78/68/1057267868.db2.gz FKYYKYPISCYDQQ-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO N#Cc1cnc(-c2cccc(C[NH+]3CCCC3)c2)c2sccc21 ZINC001242119013 1057268804 /nfs/dbraw/zinc/26/88/04/1057268804.db2.gz KXXKEUPJISBSKR-UHFFFAOYSA-N 1 0 319.433 4.431 20 30 DIEDRO COc1ccc(-c2cccc(C[NH+]3CCCC3)c2)c(CC#N)c1 ZINC001242121091 1057269968 /nfs/dbraw/zinc/26/99/68/1057269968.db2.gz DFNATTYGZCGVMJ-UHFFFAOYSA-N 1 0 306.409 4.024 20 30 DIEDRO N#Cc1cnc2cc(-c3cccc(C[NH+]4CCCC4)c3)ccc2c1 ZINC001242122098 1057269988 /nfs/dbraw/zinc/26/99/88/1057269988.db2.gz IZFBYOLTUAXWCR-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)c1ccc(C#N)cc1 ZINC000173205318 1057285155 /nfs/dbraw/zinc/28/51/55/1057285155.db2.gz ONULUTMGYJSADN-HZPDHXFCSA-N 1 0 316.408 4.156 20 30 DIEDRO C=C(C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000674877822 1057294505 /nfs/dbraw/zinc/29/45/05/1057294505.db2.gz AFCMNPVTIRRNRD-WIYYLYMNSA-N 1 0 306.453 4.125 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702924647 1057318344 /nfs/dbraw/zinc/31/83/44/1057318344.db2.gz AZCQQSSIPGTCSF-QGZVFWFLSA-N 1 0 314.473 4.291 20 30 DIEDRO C#Cc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)cc1 ZINC001242294418 1057325097 /nfs/dbraw/zinc/32/50/97/1057325097.db2.gz FHAKXOVUDWEKEU-IBGZPJMESA-N 1 0 313.404 4.150 20 30 DIEDRO COc1cccc(-c2ccccc2C[NH+]2CCCCC2)c1C#N ZINC001242299152 1057325974 /nfs/dbraw/zinc/32/59/74/1057325974.db2.gz ZTWGWRVMRASULI-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO COc1cccc(-c2ccc3c(c2)C(C(C)C)=[NH+]CC3)c1C#N ZINC001242301712 1057327098 /nfs/dbraw/zinc/32/70/98/1057327098.db2.gz WIYNOODCBBBGAC-UHFFFAOYSA-N 1 0 304.393 4.235 20 30 DIEDRO C[NH+](C)CCc1c[nH]c2ccc(C3=CC(=O)CC(C)(C)C3)cc12 ZINC001242318290 1057332858 /nfs/dbraw/zinc/33/28/58/1057332858.db2.gz ZNUKCNZLZKPVEP-UHFFFAOYSA-N 1 0 310.441 4.045 20 30 DIEDRO Cc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)cnc1C#N ZINC001242357260 1057343951 /nfs/dbraw/zinc/34/39/51/1057343951.db2.gz NIESCXWRUVFFLZ-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO CC1(C)CCC[N@H+](Cn2ccc(=S)c3ccccc32)[C@@H]1C#N ZINC000766112429 1057347317 /nfs/dbraw/zinc/34/73/17/1057347317.db2.gz POWMEYRJBQDIGC-QGZVFWFLSA-N 1 0 311.454 4.342 20 30 DIEDRO COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000174069254 1057349743 /nfs/dbraw/zinc/34/97/43/1057349743.db2.gz UJKPGIXCLKTNNT-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO Cc1cccc2c(CC[NH2+][C@@H](C)c3ccc(C#N)cc3)c[nH]c21 ZINC000174149634 1057351627 /nfs/dbraw/zinc/35/16/27/1057351627.db2.gz FVJXTYOXYLQUPF-HNNXBMFYSA-N 1 0 303.409 4.241 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC(c2ccccc2)c2ccccc2)o1 ZINC000174242885 1057354537 /nfs/dbraw/zinc/35/45/37/1057354537.db2.gz OLOFCVXDAPEJQO-UHFFFAOYSA-N 1 0 302.377 4.073 20 30 DIEDRO CCN(CC)[C@@H](C[NH2+]CC(C)(C)CCC#N)c1ccsc1 ZINC000174267365 1057355379 /nfs/dbraw/zinc/35/53/79/1057355379.db2.gz DWKRPEQSSJHXKP-INIZCTEOSA-N 1 0 307.507 4.051 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000174430196 1057360522 /nfs/dbraw/zinc/36/05/22/1057360522.db2.gz PXGHQWSKAIPODM-LBPRGKRZSA-N 1 0 320.314 4.308 20 30 DIEDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc1 ZINC000246425955 1057370818 /nfs/dbraw/zinc/37/08/18/1057370818.db2.gz SGHOWRDPHDWRJH-DNVCBOLYSA-N 1 0 306.409 4.117 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnn(C(F)(F)F)c2)cc1 ZINC001242466099 1057374441 /nfs/dbraw/zinc/37/44/41/1057374441.db2.gz UOMJNAWQUGKKCG-MRXNPFEDSA-N 1 0 321.346 4.349 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)cc2C)nc1 ZINC001242473596 1057376512 /nfs/dbraw/zinc/37/65/12/1057376512.db2.gz DJNSYOJJOIDSJZ-HXUWFJFHSA-N 1 0 305.425 4.476 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3ccc(C#N)cc3C)c(C)c2)CC1 ZINC001242472155 1057376529 /nfs/dbraw/zinc/37/65/29/1057376529.db2.gz MTBWXDOJKNPVAR-UHFFFAOYSA-N 1 0 317.436 4.346 20 30 DIEDRO Cc1cc(C#N)ccc1-c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001242473290 1057376691 /nfs/dbraw/zinc/37/66/91/1057376691.db2.gz VYUVKIUNCJMRGS-UHFFFAOYSA-N 1 0 300.405 4.182 20 30 DIEDRO Cc1cc(C#N)cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c1 ZINC001242477604 1057378392 /nfs/dbraw/zinc/37/83/92/1057378392.db2.gz COCCFJNHTWJVED-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1Cl ZINC000675645625 1057392514 /nfs/dbraw/zinc/39/25/14/1057392514.db2.gz LTHACGNSSUVNPK-GFCCVEGCSA-N 1 0 301.764 4.182 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000675784193 1057414585 /nfs/dbraw/zinc/41/45/85/1057414585.db2.gz WAKSMYDWPCEDES-INIZCTEOSA-N 1 0 311.425 4.376 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(F)cc2C#N)cc1F ZINC001242583732 1057414873 /nfs/dbraw/zinc/41/48/73/1057414873.db2.gz GZTWCLUKBNLNMK-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO N#Cc1cc(F)ccc1-c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001242583280 1057415310 /nfs/dbraw/zinc/41/53/10/1057415310.db2.gz RZFKJLRNMDEGRK-UHFFFAOYSA-N 1 0 304.368 4.012 20 30 DIEDRO Cc1ccc(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)c(C#N)c1 ZINC001242594864 1057418137 /nfs/dbraw/zinc/41/81/37/1057418137.db2.gz VLSHANNPKDKTKT-UHFFFAOYSA-N 1 0 312.363 4.408 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccnc(C(C)=O)c2)cc1 ZINC001242612465 1057424098 /nfs/dbraw/zinc/42/40/98/1057424098.db2.gz OSFBUZBDPCQJTN-HXUWFJFHSA-N 1 0 306.409 4.274 20 30 DIEDRO N#CCc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242676686 1057443708 /nfs/dbraw/zinc/44/37/08/1057443708.db2.gz QSSJNDJRQAOQFN-UHFFFAOYSA-N 1 0 302.299 4.042 20 30 DIEDRO N#Cc1cnc(C2=CC[C@H]([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC001242687765 1057446969 /nfs/dbraw/zinc/44/69/69/1057446969.db2.gz AXFGBUMOVJWJJV-AWEZNQCLSA-N 1 0 321.346 4.004 20 30 DIEDRO N#CC1(c2ccc(C3=CC[C@H]([NH+]4CCCC4)CC3)nc2)CCC1 ZINC001242689592 1057447992 /nfs/dbraw/zinc/44/79/92/1057447992.db2.gz SSTAPIMGQNDDEB-SFHVURJKSA-N 1 0 307.441 4.059 20 30 DIEDRO C[Si](C)(C)C#Cc1ccnc(C2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001242692497 1057449616 /nfs/dbraw/zinc/44/96/16/1057449616.db2.gz ROLGGCCTQMBMEH-IBGZPJMESA-N 1 0 324.544 4.342 20 30 DIEDRO N#CC1(c2ccccc2-c2cc3cc(F)ccc3o2)CC[NH2+]CC1 ZINC001242705891 1057453431 /nfs/dbraw/zinc/45/34/31/1057453431.db2.gz DVRKZXOKYGOJBW-UHFFFAOYSA-N 1 0 320.367 4.384 20 30 DIEDRO Cc1cc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)ccc1C#N ZINC001242767929 1057468677 /nfs/dbraw/zinc/46/86/77/1057468677.db2.gz HEHVBFAWUQREBF-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cc1 ZINC000922969163 1057518471 /nfs/dbraw/zinc/51/84/71/1057518471.db2.gz ZKAYIOLAIDEIIJ-GOSISDBHSA-N 1 0 312.457 4.069 20 30 DIEDRO C#CCC1([NH2+]Cc2cnc(-c3ccncc3)s2)CCCCC1 ZINC000922981836 1057519817 /nfs/dbraw/zinc/51/98/17/1057519817.db2.gz RPSWMQMKCLLHJO-UHFFFAOYSA-N 1 0 311.454 4.021 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cncc(C#CC)c2)cc1 ZINC001242943259 1057524935 /nfs/dbraw/zinc/52/49/35/1057524935.db2.gz XYBAUNXPGCPJIZ-OAQYLSRUSA-N 1 0 302.421 4.443 20 30 DIEDRO CC#Cc1cncc(-c2cc(C[NH+]3CCCCC3)ccc2OC)c1 ZINC001242941830 1057524976 /nfs/dbraw/zinc/52/49/76/1057524976.db2.gz CFOVRSLYQCSLNA-UHFFFAOYSA-N 1 0 320.436 4.115 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cncc(COC)c2)cc1 ZINC001242957039 1057529049 /nfs/dbraw/zinc/52/90/49/1057529049.db2.gz KHOAAZNICSBDSF-HXUWFJFHSA-N 1 0 308.425 4.218 20 30 DIEDRO C[C@@H](C#N)C[N@H+](CCCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000611091626 1057582377 /nfs/dbraw/zinc/58/23/77/1057582377.db2.gz IHGRFGOKIFTJSF-ZDUSSCGKSA-N 1 0 310.363 4.262 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c(F)c1 ZINC000611198425 1057585151 /nfs/dbraw/zinc/58/51/51/1057585151.db2.gz FBJIRJZBJLPNOV-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000611386693 1057594392 /nfs/dbraw/zinc/59/43/92/1057594392.db2.gz RQTRIKNOAHPEER-CQSZACIVSA-N 1 0 314.816 4.331 20 30 DIEDRO CCCOc1ccc(OCC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611386791 1057594602 /nfs/dbraw/zinc/59/46/02/1057594602.db2.gz VJUHSQNFUUSGRM-INIZCTEOSA-N 1 0 324.424 4.077 20 30 DIEDRO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392979 1057595006 /nfs/dbraw/zinc/59/50/06/1057595006.db2.gz AIAIQEFXEDDPRX-FZKQIMNGSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390757 1057595688 /nfs/dbraw/zinc/59/56/88/1057595688.db2.gz AWVSXRAMGRHWEF-JLTOFOAXSA-N 1 0 324.399 4.132 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Oc1ccccc1F ZINC000611393470 1057595713 /nfs/dbraw/zinc/59/57/13/1057595713.db2.gz UPNCGYIAIGVQQA-AUUYWEPGSA-N 1 0 324.399 4.132 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1cccnc1)C1CC1 ZINC000611395269 1057596491 /nfs/dbraw/zinc/59/64/91/1057596491.db2.gz ZNGXGZMWALMOSM-UXHICEINSA-N 1 0 303.409 4.072 20 30 DIEDRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611395093 1057596570 /nfs/dbraw/zinc/59/65/70/1057596570.db2.gz LGHWDWNSCPYXNM-XOBRGWDASA-N 1 0 305.425 4.244 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000611395139 1057596588 /nfs/dbraw/zinc/59/65/88/1057596588.db2.gz LRBXTTTXGWEODQ-WDSOQIARSA-N 1 0 312.457 4.119 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1COc2c1cccc2Cl ZINC000611394306 1057596761 /nfs/dbraw/zinc/59/67/61/1057596761.db2.gz BSVCKXIOQPHJSV-ZWKOTPCHSA-N 1 0 324.811 4.312 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000611395776 1057596935 /nfs/dbraw/zinc/59/69/35/1057596935.db2.gz SXWLWTCCKXHUNB-LJQANCHMSA-N 1 0 306.409 4.198 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000611394939 1057597416 /nfs/dbraw/zinc/59/74/16/1057597416.db2.gz WGSLBGGRADLSCJ-GIVPXCGWSA-N 1 0 302.421 4.156 20 30 DIEDRO COc1ccc(CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391075 1057598064 /nfs/dbraw/zinc/59/80/64/1057598064.db2.gz QGPVVRLWMSWXAG-OAQYLSRUSA-N 1 0 320.436 4.167 20 30 DIEDRO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000611433733 1057600243 /nfs/dbraw/zinc/60/02/43/1057600243.db2.gz OKTCQXNEKPNNKM-KRWDZBQOSA-N 1 0 324.428 4.057 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000611465993 1057601282 /nfs/dbraw/zinc/60/12/82/1057601282.db2.gz FBOCRIPUROXFMN-LSDHHAIUSA-N 1 0 308.400 4.153 20 30 DIEDRO CCCCCCCCCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000727097674 1057634423 /nfs/dbraw/zinc/63/44/23/1057634423.db2.gz YHGJJPLCVQRNIS-UHFFFAOYSA-N 1 0 314.433 4.347 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000730109612 1057703011 /nfs/dbraw/zinc/70/30/11/1057703011.db2.gz UDJFYENCWRPJSL-NRFANRHFSA-N 1 0 319.452 4.122 20 30 DIEDRO CCCCCCCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000730763097 1057725023 /nfs/dbraw/zinc/72/50/23/1057725023.db2.gz JBGFHEQANHWRFW-GOSISDBHSA-N 1 0 308.510 4.214 20 30 DIEDRO CC[NH+](CC)Cc1cc(C)ccc1-c1ccccc1OCC#N ZINC001243587517 1057725249 /nfs/dbraw/zinc/72/52/49/1057725249.db2.gz WXYQLKNWKMCTQU-UHFFFAOYSA-N 1 0 308.425 4.406 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccccc2OCC#N)c1 ZINC001243587265 1057725582 /nfs/dbraw/zinc/72/55/82/1057725582.db2.gz UHIKLPZMPOOFCN-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(F)c1 ZINC000731211908 1057737652 /nfs/dbraw/zinc/73/76/52/1057737652.db2.gz HUVLRRRGRQBQMB-UHFFFAOYSA-N 1 0 312.388 4.139 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1F ZINC000731212104 1057737928 /nfs/dbraw/zinc/73/79/28/1057737928.db2.gz SPHUKGQNGQXASU-UHFFFAOYSA-N 1 0 312.388 4.139 20 30 DIEDRO Cc1nc(-c2ccc(C3CC[NH+](C)CC3)cc2)c(C#N)c(C)c1C ZINC001243650736 1057743626 /nfs/dbraw/zinc/74/36/26/1057743626.db2.gz ACIYMPYCHXYFLS-UHFFFAOYSA-N 1 0 319.452 4.355 20 30 DIEDRO COc1ccc(-c2cccc(C3CC[NH+](C)CC3)c2)c(C#N)c1 ZINC001243732204 1057764998 /nfs/dbraw/zinc/76/49/98/1057764998.db2.gz KQQOTHGSKXMBOI-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO C=CC1CC[NH+](Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000732181057 1057769813 /nfs/dbraw/zinc/76/98/13/1057769813.db2.gz JHDVONAWJVGLCB-UHFFFAOYSA-N 1 0 323.412 4.207 20 30 DIEDRO N#Cc1ccc(NCCCCCCC[NH+]2CCCC2)c(F)c1 ZINC000732567324 1057779278 /nfs/dbraw/zinc/77/92/78/1057779278.db2.gz IRDOKBBVWILABN-UHFFFAOYSA-N 1 0 303.425 4.156 20 30 DIEDRO N#Cc1cnc(NCCCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000732567178 1057779409 /nfs/dbraw/zinc/77/94/09/1057779409.db2.gz CSLDXRQATNMMND-UHFFFAOYSA-N 1 0 320.868 4.065 20 30 DIEDRO Cc1cc(C)c(C#N)c(NCCCCCCC[NH+]2CCCC2)n1 ZINC000732567646 1057780045 /nfs/dbraw/zinc/78/00/45/1057780045.db2.gz PIMBEERXPKGGMD-UHFFFAOYSA-N 1 0 314.477 4.028 20 30 DIEDRO N#C[C@@H]1CC=C(c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)CC1 ZINC001243791339 1057780504 /nfs/dbraw/zinc/78/05/04/1057780504.db2.gz CXWRCJKLWPWLSJ-KDOFPFPSSA-N 1 0 318.424 4.208 20 30 DIEDRO N#C[C@@H]1CC=C(c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001243792533 1057780734 /nfs/dbraw/zinc/78/07/34/1057780734.db2.gz INHMYUZEMCRECX-XPGWFJOJSA-N 1 0 310.441 4.180 20 30 DIEDRO N#C[C@H]1CC=C(c2ccc3ncn([C@H]4CCC[NH2+]CC4)c3c2)CC1 ZINC001243796712 1057781501 /nfs/dbraw/zinc/78/15/01/1057781501.db2.gz KFHNSSQULYEMIN-YJBOKZPZSA-N 1 0 320.440 4.058 20 30 DIEDRO C=CC[N@@H+](C[C@H](O)c1ccc(F)cc1F)CC1CCCCC1 ZINC000732668122 1057782760 /nfs/dbraw/zinc/78/27/60/1057782760.db2.gz XMNAZJWBFBQMCB-SFHVURJKSA-N 1 0 309.400 4.067 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(CCO)cc2)cc1 ZINC001243852017 1057793037 /nfs/dbraw/zinc/79/30/37/1057793037.db2.gz OJXQGWUSWFJNTK-NRFANRHFSA-N 1 0 307.437 4.211 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2c(C)cc(C)cc2C)cc1 ZINC000733326039 1057812655 /nfs/dbraw/zinc/81/26/55/1057812655.db2.gz FUGYNSTUULMMAI-UHFFFAOYSA-N 1 0 307.437 4.304 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](CCC)c2ccccn2)cc1 ZINC000733326838 1057813056 /nfs/dbraw/zinc/81/30/56/1057813056.db2.gz FFCSBVOXZGIGLM-IBGZPJMESA-N 1 0 308.425 4.115 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCCC)cc2)cc1 ZINC000733326161 1057813166 /nfs/dbraw/zinc/81/31/66/1057813166.db2.gz LQZXNBYGVHWSNX-KRWDZBQOSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CSCc3ccccc32)cc1 ZINC000733325945 1057813258 /nfs/dbraw/zinc/81/32/58/1057813258.db2.gz AGTZCDVCRKERGE-FQEVSTJZSA-N 1 0 323.461 4.166 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000733326308 1057814053 /nfs/dbraw/zinc/81/40/53/1057814053.db2.gz VWSGVOBQOUBCNQ-UHFFFAOYSA-N 1 0 320.219 4.295 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccccc2C)C(C)C)cc1 ZINC000733326505 1057814076 /nfs/dbraw/zinc/81/40/76/1057814076.db2.gz HGXSNZXXEDHCHW-NRFANRHFSA-N 1 0 307.437 4.494 20 30 DIEDRO CCC[N@H+](Cc1ccc(C)cc1)Cc1ccc(OCC#N)cc1 ZINC000733610624 1057827041 /nfs/dbraw/zinc/82/70/41/1057827041.db2.gz MTVWBLAJYVQLOG-UHFFFAOYSA-N 1 0 308.425 4.310 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)cc2N)nc1 ZINC001244084720 1057864075 /nfs/dbraw/zinc/86/40/75/1057864075.db2.gz LDQKCHWGFDIINJ-FQEVSTJZSA-N 1 0 320.440 4.139 20 30 DIEDRO Cc1ccc(C[NH+]2CCCCC2)cc1-c1ccc(N)c(C#N)c1 ZINC001244118135 1057874421 /nfs/dbraw/zinc/87/44/21/1057874421.db2.gz PITGBOMJKUOWDQ-UHFFFAOYSA-N 1 0 305.425 4.102 20 30 DIEDRO C[NH+](C)CCc1c[nH]c2ccc(-c3ccc(C#N)cc3Cl)cc12 ZINC001244330880 1057935337 /nfs/dbraw/zinc/93/53/37/1057935337.db2.gz CIAOOFORUARIGQ-UHFFFAOYSA-N 1 0 323.827 4.464 20 30 DIEDRO N#Cc1ccc(F)c(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c1 ZINC001244557667 1057995496 /nfs/dbraw/zinc/99/54/96/1057995496.db2.gz ZKELHMXEZRTXIW-UHFFFAOYSA-N 1 0 304.368 4.012 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1-c1cc(C#N)ccc1F ZINC001244558473 1057995576 /nfs/dbraw/zinc/99/55/76/1057995576.db2.gz OZOXOCBNIOOECV-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)c(OC)c2)cc1 ZINC001244675710 1058024473 /nfs/dbraw/zinc/02/44/73/1058024473.db2.gz OJEFSOCCJZALHY-FQEVSTJZSA-N 1 0 323.436 4.177 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C)c(-c2ccc(OC)c(C#N)c2)c1 ZINC001244710156 1058032708 /nfs/dbraw/zinc/03/27/08/1058032708.db2.gz ALQREUJOTZEHQO-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO COc1ccc(-c2cccc(C3CC[NH+](C)CC3)c2)cc1C#N ZINC001244711043 1058033186 /nfs/dbraw/zinc/03/31/86/1058033186.db2.gz SRMQSSKWJAQNIQ-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1ccc(OC2CC[NH2+]CC2)cc1 ZINC001244724492 1058035464 /nfs/dbraw/zinc/03/54/64/1058035464.db2.gz REBXFBMCUGPGJV-UHFFFAOYSA-N 1 0 312.800 4.009 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1ccc([C@H]2CCC[NH2+]2)c(F)c1 ZINC001244734242 1058036935 /nfs/dbraw/zinc/03/69/35/1058036935.db2.gz PUSFYFOGGBYEKS-QGZVFWFLSA-N 1 0 300.764 4.442 20 30 DIEDRO Cc1c(C#N)cccc1-c1cc(F)c(C[NH+]2CCCC2)c(F)c1 ZINC001244820462 1058052998 /nfs/dbraw/zinc/05/29/98/1058052998.db2.gz QAIQMCQOHOCMNK-UHFFFAOYSA-N 1 0 312.363 4.408 20 30 DIEDRO C[NH2+]Cc1cccc(-c2cc(C(F)(F)F)ccc2CC#N)c1F ZINC001244860923 1058059277 /nfs/dbraw/zinc/05/92/77/1058059277.db2.gz DHHVZKDGZOQXFL-UHFFFAOYSA-N 1 0 322.305 4.297 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2nc3ccccc3cc2CC#N)c1F ZINC001244863291 1058060169 /nfs/dbraw/zinc/06/01/69/1058060169.db2.gz KGGUUFNXWSJKPJ-UHFFFAOYSA-N 1 0 319.383 4.169 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)c(N)c2)cc1 ZINC001244900400 1058068532 /nfs/dbraw/zinc/06/85/32/1058068532.db2.gz UJEFIGSDLLHFLE-LJQANCHMSA-N 1 0 308.425 4.267 20 30 DIEDRO N#Cc1c2c(cnc1-c1cccc(C3CCCC3)c1)C[NH2+]CCC2 ZINC001244987550 1058087504 /nfs/dbraw/zinc/08/75/04/1058087504.db2.gz RUYUZTZYBLYFPM-UHFFFAOYSA-N 1 0 317.436 4.314 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1cccc(C#N)c1F ZINC001245072101 1058107106 /nfs/dbraw/zinc/10/71/06/1058107106.db2.gz CEPXCTPMBLQJGW-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO C[C@@H](C#N)c1ccc(-c2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC001245340695 1058147063 /nfs/dbraw/zinc/14/70/63/1058147063.db2.gz ZZHSLPCUNGXFFT-INIZCTEOSA-N 1 0 308.425 4.311 20 30 DIEDRO N#CC1(c2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)nc2)CCC1 ZINC001245347575 1058149139 /nfs/dbraw/zinc/14/91/39/1058149139.db2.gz RPKDEZTWWCHMDP-SFHVURJKSA-N 1 0 303.409 4.118 20 30 DIEDRO CC(C)(C)c1ccc(C#N)c(-c2ccc([C@@H]3CCC[NH2+]3)cc2)n1 ZINC001245349319 1058149511 /nfs/dbraw/zinc/14/95/11/1058149511.db2.gz LLJCMTVSFPYYPU-KRWDZBQOSA-N 1 0 305.425 4.342 20 30 DIEDRO C=CCc1cc(C)cnc1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001245407162 1058161313 /nfs/dbraw/zinc/16/13/13/1058161313.db2.gz SIUIXFSYBILLMW-UHFFFAOYSA-N 1 0 322.452 4.054 20 30 DIEDRO SCc1ccc(-c2ccc(COC3CC[NH2+]CC3)cc2)cc1 ZINC001245408192 1058161436 /nfs/dbraw/zinc/16/14/36/1058161436.db2.gz SIEOICJWGUPDFD-UHFFFAOYSA-N 1 0 313.466 4.052 20 30 DIEDRO N#CCCc1ccc(-c2ccc(COC3CC[NH2+]CC3)cc2)cc1 ZINC001245408842 1058161438 /nfs/dbraw/zinc/16/14/38/1058161438.db2.gz BSZPNSJAEXGMQT-UHFFFAOYSA-N 1 0 320.436 4.078 20 30 DIEDRO SCc1cccc(-c2ccc(COC3CC[NH2+]CC3)cc2)c1 ZINC001245408203 1058161514 /nfs/dbraw/zinc/16/15/14/1058161514.db2.gz SVEONIXSSHYZRE-UHFFFAOYSA-N 1 0 313.466 4.052 20 30 DIEDRO N#Cc1ccc2nccc(-c3ccc(C4CC[NH2+]CC4)cc3)c2c1 ZINC001245524104 1058198388 /nfs/dbraw/zinc/19/83/88/1058198388.db2.gz JSUUNRWLFVSVJB-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO CC(C)(C)c1ccc(C#N)c(-c2ccc(C3CC[NH2+]CC3)cc2)n1 ZINC001245524612 1058199374 /nfs/dbraw/zinc/19/93/74/1058199374.db2.gz ROUZJQGQVRQFLU-UHFFFAOYSA-N 1 0 319.452 4.385 20 30 DIEDRO Cc1cc(F)c(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1F ZINC001245545773 1058225176 /nfs/dbraw/zinc/22/51/76/1058225176.db2.gz WUGCJJCGCJRWKN-UHFFFAOYSA-N 1 0 312.363 4.085 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3cc(C)ccc3C#N)c(C)c2)CC1 ZINC001245600909 1058279232 /nfs/dbraw/zinc/27/92/32/1058279232.db2.gz DYOSINOACBILOS-UHFFFAOYSA-N 1 0 317.436 4.346 20 30 DIEDRO Cc1ccc(C#N)c(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001245606228 1058283037 /nfs/dbraw/zinc/28/30/37/1058283037.db2.gz UABFALPDXBWWRS-SFTDATJTSA-N 1 0 320.436 4.320 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC)cc2OC)cc1 ZINC001245614351 1058286269 /nfs/dbraw/zinc/28/62/69/1058286269.db2.gz WZCIEXVCRBXDOD-GOSISDBHSA-N 1 0 324.424 4.089 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2ccc3cc(C#N)c(C#N)cc3c2)cc1 ZINC001245909322 1058614169 /nfs/dbraw/zinc/61/41/69/1058614169.db2.gz MHFBSAFDECVFDE-UHFFFAOYSA-N 1 0 311.388 4.444 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001520579721 1058643424 /nfs/dbraw/zinc/64/34/24/1058643424.db2.gz IEWXJADFLRNLOY-RCCFBDPRSA-N 1 0 310.526 4.314 20 30 DIEDRO CCCCCCCC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC001529221844 1058646411 /nfs/dbraw/zinc/64/64/11/1058646411.db2.gz QNBCTDSHQROHFV-YLJYHZDGSA-N 1 0 318.505 4.463 20 30 DIEDRO C=CCCCCCC[C@H](O)CNc1ccc(C2([NH3+])CCC2)cc1 ZINC001245965124 1058650222 /nfs/dbraw/zinc/65/02/22/1058650222.db2.gz DNLLBYKYYWTYPP-IBGZPJMESA-N 1 0 316.489 4.324 20 30 DIEDRO CCCCCCCC[C@H](O)CNc1cccc(C[NH2+]CC)c1 ZINC001245977490 1058652018 /nfs/dbraw/zinc/65/20/18/1058652018.db2.gz ZBGQWYIOEQDFRG-IBGZPJMESA-N 1 0 306.494 4.320 20 30 DIEDRO C=CCCCCCC[C@H](O)CNc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001245965223 1058652733 /nfs/dbraw/zinc/65/27/33/1058652733.db2.gz DYKHSTGTDLEGDI-ICSRJNTNSA-N 1 0 316.489 4.063 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCNc2ccccc21 ZINC001246006583 1058656290 /nfs/dbraw/zinc/65/62/90/1058656290.db2.gz WXSZEFZRSNBKFI-APWZRJJASA-N 1 0 302.462 4.020 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCNc2ccccc21 ZINC001246006586 1058656792 /nfs/dbraw/zinc/65/67/92/1058656792.db2.gz WXSZEFZRSNBKFI-QFBILLFUSA-N 1 0 302.462 4.020 20 30 DIEDRO CCCCCCCCCCC[C@H](CC)[NH2+]C[C@H](N)COC ZINC001246241457 1058764667 /nfs/dbraw/zinc/76/46/67/1058764667.db2.gz RWBMYALXMNYFFP-ROUUACIJSA-N 1 0 300.531 4.249 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCCCC1 ZINC001529740076 1058819636 /nfs/dbraw/zinc/81/96/36/1058819636.db2.gz SSYBZDUKKVTAGL-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246337346 1058847986 /nfs/dbraw/zinc/84/79/86/1058847986.db2.gz RWIVZPUMSLIBBQ-LPHOPBHVSA-N 1 0 316.395 4.214 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2 ZINC001246393354 1058898728 /nfs/dbraw/zinc/89/87/28/1058898728.db2.gz YHHDNPBQBCSXLR-AKHDSKFASA-N 1 0 310.526 4.015 20 30 DIEDRO N#Cc1c(F)cccc1NCC1([NH+]2CCCCC2)CCCCC1 ZINC001559049840 1058945429 /nfs/dbraw/zinc/94/54/29/1058945429.db2.gz XXWSBHBYMCIFCO-UHFFFAOYSA-N 1 0 315.436 4.298 20 30 DIEDRO Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CCCCCCS)CCN1 ZINC001246461486 1058949543 /nfs/dbraw/zinc/94/95/43/1058949543.db2.gz BQWFTUNDGOTXFY-WMZOPIPTSA-N 1 0 324.509 4.007 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC2(CNc3ccc(Cl)cc32)CC1 ZINC001246598417 1059023286 /nfs/dbraw/zinc/02/32/86/1059023286.db2.gz ABUOYOMYOOIAHZ-AWEZNQCLSA-N 1 0 304.865 4.454 20 30 DIEDRO N#Cc1ccc(OCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001559327406 1059167499 /nfs/dbraw/zinc/16/74/99/1059167499.db2.gz CAOPLBPHWLNKLY-UHFFFAOYSA-N 1 0 306.409 4.123 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCN[C@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922073 1059176840 /nfs/dbraw/zinc/17/68/40/1059176840.db2.gz UXRAVSUBOOUNQG-WMZOPIPTSA-N 1 0 304.453 4.214 20 30 DIEDRO N#Cc1ccc(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001559429082 1059227593 /nfs/dbraw/zinc/22/75/93/1059227593.db2.gz GOLQBFACLJYPIO-FQEVSTJZSA-N 1 0 322.477 4.456 20 30 DIEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CC3)NCc3ccccc34)C[C@H](C1)C2 ZINC001247001515 1059232634 /nfs/dbraw/zinc/23/26/34/1059232634.db2.gz KADMYUSBKYRWMA-UFRUDQCGSA-N 1 0 322.496 4.216 20 30 DIEDRO N#CCC1CCC([NH+]2CCC3(CCNc4ccccc43)CC2)CC1 ZINC001247008845 1059238975 /nfs/dbraw/zinc/23/89/75/1059238975.db2.gz ISQFDQATWOBLRN-UHFFFAOYSA-N 1 0 323.484 4.308 20 30 DIEDRO C=CCCCCc1nc2c(cccc2F)n1CC1CC[NH2+]CC1 ZINC001247031471 1059254945 /nfs/dbraw/zinc/25/49/45/1059254945.db2.gz SQGQXCYDQURLMU-UHFFFAOYSA-N 1 0 315.436 4.074 20 30 DIEDRO C=CCCCCc1nc2cc(F)ccc2n1CC1CC[NH2+]CC1 ZINC001247034687 1059255275 /nfs/dbraw/zinc/25/52/75/1059255275.db2.gz KNNUXTBBLTUDPG-UHFFFAOYSA-N 1 0 315.436 4.074 20 30 DIEDRO CC[N@H+](CC#Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC001559485261 1059263403 /nfs/dbraw/zinc/26/34/03/1059263403.db2.gz APBIOBWCZSYLRL-UHFFFAOYSA-N 1 0 301.792 4.353 20 30 DIEDRO N#CCCOCC[NH+](CC1CCCCC1)CC1CCCCC1 ZINC001559497315 1059278856 /nfs/dbraw/zinc/27/88/56/1059278856.db2.gz RSNWDUOJKUENJW-UHFFFAOYSA-N 1 0 306.494 4.379 20 30 DIEDRO CCC[N@H+](CCOc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC001559503179 1059288769 /nfs/dbraw/zinc/28/87/69/1059288769.db2.gz XEQFFKXECNOLSZ-HXUWFJFHSA-N 1 0 320.436 4.337 20 30 DIEDRO C=C[C@H](CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)c1ccccc1 ZINC001523568581 1059293711 /nfs/dbraw/zinc/29/37/11/1059293711.db2.gz ZRBIQGROUCFZSY-OAHLLOKOSA-N 1 0 308.425 4.179 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCC2)CO1 ZINC001559506818 1059298168 /nfs/dbraw/zinc/29/81/68/1059298168.db2.gz FCVPNGBMFDCVJA-IBGZPJMESA-N 1 0 312.457 4.118 20 30 DIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CCC)CC(C)C ZINC001559508571 1059302180 /nfs/dbraw/zinc/30/21/80/1059302180.db2.gz HGRMQRRESDDLCT-MRXNPFEDSA-N 1 0 322.518 4.019 20 30 DIEDRO C#CC[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC001559514142 1059312811 /nfs/dbraw/zinc/31/28/11/1059312811.db2.gz SJTWYLYJKZXHDH-JOCHJYFZSA-N 1 0 321.464 4.011 20 30 DIEDRO C=CCC1(C(=O)NCCCCC[NH+]2CCCCC2)CCCCC1 ZINC001531482943 1059329357 /nfs/dbraw/zinc/32/93/57/1059329357.db2.gz JWNLNRJJMQRJFQ-UHFFFAOYSA-N 1 0 320.521 4.285 20 30 DIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC1CCCCC1 ZINC001559537617 1059338207 /nfs/dbraw/zinc/33/82/07/1059338207.db2.gz BCNMSSYKZQNTPP-UHFFFAOYSA-N 1 0 302.418 4.472 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)cc1C#N ZINC001559542843 1059346019 /nfs/dbraw/zinc/34/60/19/1059346019.db2.gz HJEYAROOBNKYRI-UHFFFAOYSA-N 1 0 308.400 4.418 20 30 DIEDRO Clc1cccc(C#CC[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001559560973 1059379016 /nfs/dbraw/zinc/37/90/16/1059379016.db2.gz WNTVGZJXOMMRKU-IBGZPJMESA-N 1 0 309.840 4.256 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC001559560938 1059381121 /nfs/dbraw/zinc/38/11/21/1059381121.db2.gz VWAPNTKSBUJWBB-UHFFFAOYSA-N 1 0 323.358 4.203 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC001559568978 1059399764 /nfs/dbraw/zinc/39/97/64/1059399764.db2.gz LIYOJHYLXNIGQD-HXUWFJFHSA-N 1 0 322.452 4.328 20 30 DIEDRO Cc1ccccc1SC[C@@H](C)C[N@H+](CCC#N)CC1CC1 ZINC001559578864 1059411948 /nfs/dbraw/zinc/41/19/48/1059411948.db2.gz VKMPBSGVSFLKDL-HNNXBMFYSA-N 1 0 302.487 4.349 20 30 DIEDRO C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001559578948 1059412738 /nfs/dbraw/zinc/41/27/38/1059412738.db2.gz XOBSDSVAOSFCKS-LJQANCHMSA-N 1 0 314.473 4.017 20 30 DIEDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001559586580 1059418876 /nfs/dbraw/zinc/41/88/76/1059418876.db2.gz HQIUJOQISZAEKA-UTKZUKDTSA-N 1 0 320.436 4.205 20 30 DIEDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001559586581 1059418893 /nfs/dbraw/zinc/41/88/93/1059418893.db2.gz HQIUJOQISZAEKA-UWJYYQICSA-N 1 0 320.436 4.205 20 30 DIEDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559627449 1059455998 /nfs/dbraw/zinc/45/59/98/1059455998.db2.gz YNEDMIZOFQCUME-QGZVFWFLSA-N 1 0 315.417 4.257 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC001559645877 1059470597 /nfs/dbraw/zinc/47/05/97/1059470597.db2.gz WGMNSYPJOTUKFQ-FQEVSTJZSA-N 1 0 306.409 4.068 20 30 DIEDRO CCCCC[C@@H]1CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001559650338 1059479296 /nfs/dbraw/zinc/47/92/96/1059479296.db2.gz BKOZPQBFVRYPNA-GOSISDBHSA-N 1 0 300.446 4.372 20 30 DIEDRO CCCCCCCCOc1ccc(-c2noc(C[NH2+]C)n2)cc1 ZINC001247431989 1059479480 /nfs/dbraw/zinc/47/94/80/1059479480.db2.gz PSGYMJPTEWDGIK-UHFFFAOYSA-N 1 0 317.433 4.195 20 30 DIEDRO C#CCCCCCC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001559654926 1059484377 /nfs/dbraw/zinc/48/43/77/1059484377.db2.gz PTEFWWDPLHQEBR-WOJBJXKFSA-N 1 0 312.501 4.165 20 30 DIEDRO C#CCCCCCC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001559670887 1059495333 /nfs/dbraw/zinc/49/53/33/1059495333.db2.gz WJMPHISHWKACKF-INIZCTEOSA-N 1 0 305.849 4.377 20 30 DIEDRO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC001559675058 1059503915 /nfs/dbraw/zinc/50/39/15/1059503915.db2.gz ZSXMYAXDKPUMOV-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO CC#CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@H]1C ZINC001559687963 1059515274 /nfs/dbraw/zinc/51/52/74/1059515274.db2.gz CHQLQWMUKVCLDG-AEFFLSMTSA-N 1 0 315.457 4.108 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC001559696084 1059525552 /nfs/dbraw/zinc/52/55/52/1059525552.db2.gz ONDQUKYIOYUSSN-QZTJIDSGSA-N 1 0 307.865 4.488 20 30 DIEDRO N#Cc1cccc([C@@H](O)C[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC001559704445 1059533270 /nfs/dbraw/zinc/53/32/70/1059533270.db2.gz NVWSGZDKFVMWFE-RTWAWAEBSA-N 1 0 320.436 4.113 20 30 DIEDRO CCC[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1 ZINC001559707543 1059534865 /nfs/dbraw/zinc/53/48/65/1059534865.db2.gz WLZZZCUJMKKRPG-FQEVSTJZSA-N 1 0 308.425 4.458 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC001559723595 1059555773 /nfs/dbraw/zinc/55/57/73/1059555773.db2.gz VSUGVKXVUPFCLS-HXUWFJFHSA-N 1 0 306.409 4.164 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC001532310989 1059584545 /nfs/dbraw/zinc/58/45/45/1059584545.db2.gz GTVYGLOEHCYLQW-DLBZAZTESA-N 1 0 310.526 4.362 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001559761448 1059598288 /nfs/dbraw/zinc/59/82/88/1059598288.db2.gz BFLAUWFXGCNFFM-ZWKOTPCHSA-N 1 0 302.487 4.329 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1(CC)CC ZINC001559774600 1059613329 /nfs/dbraw/zinc/61/33/29/1059613329.db2.gz CUIRYBINDWBKIW-ZTFGCOKTSA-N 1 0 300.446 4.193 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2Cl)C1(CC)CC ZINC001559775699 1059613505 /nfs/dbraw/zinc/61/35/05/1059613505.db2.gz MLLNPTAWFZDSJX-IRXDYDNUSA-N 1 0 320.864 4.285 20 30 DIEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccc(C)cc2C)CCCC1(C)C ZINC001559797071 1059631927 /nfs/dbraw/zinc/63/19/27/1059631927.db2.gz FSXWKEJQEIKJDQ-SFHVURJKSA-N 1 0 314.473 4.309 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001559799305 1059634597 /nfs/dbraw/zinc/63/45/97/1059634597.db2.gz SZMGKWDACAEVTR-KRWDZBQOSA-N 1 0 301.430 4.182 20 30 DIEDRO C=C(C)CN(Cc1ccccc1)C[C@@H]1CCCC[N@H+]1C(C)C ZINC001559808011 1059642419 /nfs/dbraw/zinc/64/24/19/1059642419.db2.gz YJWARBSCYQMQBY-FQEVSTJZSA-N 1 0 300.490 4.328 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](C)C1CCCCC1 ZINC001559831200 1059665666 /nfs/dbraw/zinc/66/56/66/1059665666.db2.gz NQHSCDBIEZIVTO-MRXNPFEDSA-N 1 0 305.462 4.366 20 30 DIEDRO C=C(C)CC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001559860368 1059680284 /nfs/dbraw/zinc/68/02/84/1059680284.db2.gz ZOGPSIQTKOZZSG-CJNGLKHVSA-N 1 0 313.363 4.433 20 30 DIEDRO CCCCCCC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC001559857577 1059680707 /nfs/dbraw/zinc/68/07/07/1059680707.db2.gz NYDWLPRLYXNSRU-UHFFFAOYSA-N 1 0 307.453 4.477 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1cccc(C2CC2)c1 ZINC001559865324 1059686384 /nfs/dbraw/zinc/68/63/84/1059686384.db2.gz LRRSIDOMCVBDSL-HNNXBMFYSA-N 1 0 306.409 4.165 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(C)c(C#N)c3)C2)cc1 ZINC001559870924 1059688004 /nfs/dbraw/zinc/68/80/04/1059688004.db2.gz KUCRUYBKIBXRNB-HXUWFJFHSA-N 1 0 304.437 4.419 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC001559879778 1059699787 /nfs/dbraw/zinc/69/97/87/1059699787.db2.gz QOPWOMYVFPOKCY-PBHICJAKSA-N 1 0 300.446 4.213 20 30 DIEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001559893124 1059709793 /nfs/dbraw/zinc/70/97/93/1059709793.db2.gz JQBPYHCGJFOSAB-YVEFUNNKSA-N 1 0 308.372 4.218 20 30 DIEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001559893123 1059711417 /nfs/dbraw/zinc/71/14/17/1059711417.db2.gz JQBPYHCGJFOSAB-SJKOYZFVSA-N 1 0 308.372 4.218 20 30 DIEDRO C[N@H+](Cc1cncc(C#N)c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001559911967 1059728218 /nfs/dbraw/zinc/72/82/18/1059728218.db2.gz QJISKVKAVZEGST-PMACEKPBSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001559934330 1059748635 /nfs/dbraw/zinc/74/86/35/1059748635.db2.gz LVZNMHZTEJGBNN-GOSISDBHSA-N 1 0 314.429 4.356 20 30 DIEDRO C=CCCCC[N@H+]1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001559962493 1059770385 /nfs/dbraw/zinc/77/03/85/1059770385.db2.gz QLEYVEVWEYBSIF-FHWLQOOXSA-N 1 0 300.490 4.326 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)c(OC(F)F)c1 ZINC001559970126 1059774915 /nfs/dbraw/zinc/77/49/15/1059774915.db2.gz CVQLLNBZIUIDPR-INIZCTEOSA-N 1 0 320.383 4.314 20 30 DIEDRO C=CC[N@H+](Cc1coc(-c2c(F)cccc2F)n1)C(C)(C)C ZINC001560004898 1059814530 /nfs/dbraw/zinc/81/45/30/1059814530.db2.gz BPPJTXVDWILFBN-UHFFFAOYSA-N 1 0 306.356 4.406 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC001560008880 1059817446 /nfs/dbraw/zinc/81/74/46/1059817446.db2.gz SGAZXGQZFNBRJQ-DTWKUNHWSA-N 1 0 304.178 4.343 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC001560008881 1059819129 /nfs/dbraw/zinc/81/91/29/1059819129.db2.gz SGAZXGQZFNBRJQ-IUCAKERBSA-N 1 0 304.178 4.343 20 30 DIEDRO C[C@H]1CCC[C@@H](CC[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC001560026011 1059842070 /nfs/dbraw/zinc/84/20/70/1059842070.db2.gz VIEPMAWKCWFKCX-IRXDYDNUSA-N 1 0 311.473 4.349 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1cc(Cl)cc(Cl)c1F ZINC001560129005 1059930476 /nfs/dbraw/zinc/93/04/76/1059930476.db2.gz VLXWYLAFHPPTSE-SECBINFHSA-N 1 0 321.248 4.430 20 30 DIEDRO C=CC(C)(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001525552519 1059932034 /nfs/dbraw/zinc/93/20/34/1059932034.db2.gz ITQZZTYTXMDZMA-MRXNPFEDSA-N 1 0 322.880 4.051 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC001560133455 1059935495 /nfs/dbraw/zinc/93/54/95/1059935495.db2.gz YTBNCSBLVDEBBW-OXJNMPFZSA-N 1 0 306.409 4.172 20 30 DIEDRO C#CCC1([NH2+]CCCOc2cccc(Cl)c2)CCCCC1 ZINC001560171020 1059963193 /nfs/dbraw/zinc/96/31/93/1059963193.db2.gz OJQFSTNGQBOXQC-UHFFFAOYSA-N 1 0 305.849 4.425 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCSc2ccccc2C1 ZINC001248752214 1059964949 /nfs/dbraw/zinc/96/49/49/1059964949.db2.gz BYCDNWJFCWPHSQ-UHFFFAOYSA-N 1 0 308.450 4.229 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCc2cc(Cl)ccc21 ZINC001560180654 1059968020 /nfs/dbraw/zinc/96/80/20/1059968020.db2.gz DLLBCCRNBPJSMM-INIZCTEOSA-N 1 0 302.830 4.392 20 30 DIEDRO Cc1cc(C[N@H+](C)Cc2cc(C#N)cs2)c2ccccc2n1 ZINC001560181314 1059971639 /nfs/dbraw/zinc/97/16/39/1059971639.db2.gz OTMMJQDZYTVYLG-UHFFFAOYSA-N 1 0 307.422 4.108 20 30 DIEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001560181104 1059972275 /nfs/dbraw/zinc/97/22/75/1059972275.db2.gz LBNRVUPNVCRKLK-HOTGVXAUSA-N 1 0 318.392 4.100 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCCc2ccc(F)cc21 ZINC001560181254 1059973220 /nfs/dbraw/zinc/97/32/20/1059973220.db2.gz MNWQQQAXMCCEPK-QGZVFWFLSA-N 1 0 300.402 4.268 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Br)cnc1C)C1CCCCC1 ZINC001248782107 1059974418 /nfs/dbraw/zinc/97/44/18/1059974418.db2.gz MZQQMUMQPRACLB-UHFFFAOYSA-N 1 0 323.278 4.473 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001560188195 1059975412 /nfs/dbraw/zinc/97/54/12/1059975412.db2.gz JYONSFAFOWWDFN-BQYDLMEBSA-N 1 0 318.420 4.245 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC001560204490 1059985141 /nfs/dbraw/zinc/98/51/41/1059985141.db2.gz NIQVGPQSBZSXHT-UHFFFAOYSA-N 1 0 306.356 4.408 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001560204289 1059985655 /nfs/dbraw/zinc/98/56/55/1059985655.db2.gz FRHIGVDNWGBJMM-INIZCTEOSA-N 1 0 320.452 4.023 20 30 DIEDRO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC001560216950 1059993736 /nfs/dbraw/zinc/99/37/36/1059993736.db2.gz DGWKZNNUMAFKGN-RTBURBONSA-N 1 0 317.521 4.045 20 30 DIEDRO C=CCC[N@@H+](Cc1nc2cc(C)ccc2[nH]1)Cc1ccccc1 ZINC001248842455 1060014013 /nfs/dbraw/zinc/01/40/13/1060014013.db2.gz VIOKIFZANBESCN-UHFFFAOYSA-N 1 0 305.425 4.450 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)C1 ZINC001560249460 1060016882 /nfs/dbraw/zinc/01/68/82/1060016882.db2.gz JXHKDSQFNFMOBR-IXDOHACOSA-N 1 0 304.503 4.219 20 30 DIEDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001248883833 1060036864 /nfs/dbraw/zinc/03/68/64/1060036864.db2.gz RDONJIHMNBWUEF-ZDUSSCGKSA-N 1 0 320.864 4.469 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001560271781 1060045957 /nfs/dbraw/zinc/04/59/57/1060045957.db2.gz CLARHGAZEMLLGG-CABCVRRESA-N 1 0 313.363 4.462 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC001560284054 1060061926 /nfs/dbraw/zinc/06/19/26/1060061926.db2.gz AGLCMIIWRWISRF-HYVNUMGLSA-N 1 0 301.430 4.243 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)C1 ZINC001560332602 1060116801 /nfs/dbraw/zinc/11/68/01/1060116801.db2.gz QPDIISPIYSXINA-ROUUACIJSA-N 1 0 322.562 4.073 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)C1 ZINC001560345699 1060133271 /nfs/dbraw/zinc/13/32/71/1060133271.db2.gz YJXJPMLPGNNKTP-DGCLKSJQSA-N 1 0 314.260 4.135 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2SCC)cc1 ZINC001560369913 1060155073 /nfs/dbraw/zinc/15/50/73/1060155073.db2.gz NTAZCTSDCSXWQK-MOPGFXCFSA-N 1 0 317.498 4.243 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cn(-c2ccccc2F)nc1C ZINC001560415229 1060199707 /nfs/dbraw/zinc/19/97/07/1060199707.db2.gz ZXPVXHDBGFYFMF-CQSZACIVSA-N 1 0 301.409 4.154 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC001560414861 1060200529 /nfs/dbraw/zinc/20/05/29/1060200529.db2.gz OCZVYUMXBACGQP-QFBILLFUSA-N 1 0 303.446 4.079 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCNc2cccc(Br)c2)C1 ZINC001560416281 1060200654 /nfs/dbraw/zinc/20/06/54/1060200654.db2.gz OZGGTZKUDKEUSS-CZUORRHYSA-N 1 0 323.278 4.195 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252483 1060203650 /nfs/dbraw/zinc/20/36/50/1060203650.db2.gz LIJIFWKNARCLGH-UHFFFAOYSA-N 1 0 301.430 4.365 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1ccc(F)c(F)c1 ZINC001560445014 1060235081 /nfs/dbraw/zinc/23/50/81/1060235081.db2.gz IQQJPQRJGXQPJZ-SFHVURJKSA-N 1 0 302.368 4.384 20 30 DIEDRO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1cccc(Cl)c1 ZINC001249429195 1060246189 /nfs/dbraw/zinc/24/61/89/1060246189.db2.gz RJWZTUYNDOMOKG-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC001249429243 1060247170 /nfs/dbraw/zinc/24/71/70/1060247170.db2.gz SXCYRKZWFMCEIP-UHFFFAOYSA-N 1 0 319.452 4.440 20 30 DIEDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426274 1060247992 /nfs/dbraw/zinc/24/79/92/1060247992.db2.gz KWLRUFARDLPNLT-AWEZNQCLSA-N 1 0 301.393 4.159 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3C[C@@H]4C[C@H](C3)c3ccccc34)[nH]c2c1 ZINC001249430231 1060248024 /nfs/dbraw/zinc/24/80/24/1060248024.db2.gz IOMZBBATAHVYDM-CALCHBBNSA-N 1 0 313.404 4.126 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CC[C@H](C4CCCCC4)C3)[nH]c2c1 ZINC001249429699 1060248540 /nfs/dbraw/zinc/24/85/40/1060248540.db2.gz MIPIPYSEOOHBLD-SFHVURJKSA-N 1 0 307.441 4.442 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001560459766 1060250274 /nfs/dbraw/zinc/25/02/74/1060250274.db2.gz KNBYYSXOUUVCOJ-IBGZPJMESA-N 1 0 315.420 4.136 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC001560461790 1060252387 /nfs/dbraw/zinc/25/23/87/1060252387.db2.gz RMOGQJMXHMZILL-XLIONFOSSA-N 1 0 308.400 4.432 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)CCCC1 ZINC001560471175 1060260899 /nfs/dbraw/zinc/26/08/99/1060260899.db2.gz JEIACVSJMRJJPE-UHFFFAOYSA-N 1 0 301.478 4.152 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cnc(Br)cn1 ZINC001249492036 1060261675 /nfs/dbraw/zinc/26/16/75/1060261675.db2.gz JLSIRTXOABKZLY-UHFFFAOYSA-N 1 0 314.271 4.031 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c1 ZINC001560474647 1060263741 /nfs/dbraw/zinc/26/37/41/1060263741.db2.gz XXFKCBOPCANANN-OAHLLOKOSA-N 1 0 314.256 4.315 20 30 DIEDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC001560477179 1060267888 /nfs/dbraw/zinc/26/78/88/1060267888.db2.gz YNXXYOOWCBGYKB-ZWKOTPCHSA-N 1 0 300.446 4.285 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC001560487212 1060279769 /nfs/dbraw/zinc/27/97/69/1060279769.db2.gz BNGKLUXJFFACNO-TYNCELHUSA-N 1 0 314.256 4.361 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC001249537641 1060281550 /nfs/dbraw/zinc/28/15/50/1060281550.db2.gz ZIUOYWGQNVKNIL-UHFFFAOYSA-N 1 0 323.234 4.378 20 30 DIEDRO Cc1ccc(C[NH2+]CC(C)(C)CC#N)c(C)c1Br ZINC001560500377 1060294434 /nfs/dbraw/zinc/29/44/34/1060294434.db2.gz MHEVFTRGONRZDF-UHFFFAOYSA-N 1 0 309.251 4.095 20 30 DIEDRO C=C(CC)C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001560503100 1060300003 /nfs/dbraw/zinc/30/00/03/1060300003.db2.gz AHXIKMNMERVICY-UHFFFAOYSA-N 1 0 316.832 4.370 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@@H]1CCC[C@H](C)C1 ZINC001560506933 1060304039 /nfs/dbraw/zinc/30/40/39/1060304039.db2.gz VYUFVBRMSYNAFO-JENIJYKNSA-N 1 0 313.489 4.341 20 30 DIEDRO C=C[C@](C)(CC)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001534590464 1060311142 /nfs/dbraw/zinc/31/11/42/1060311142.db2.gz WKCQYGBQCDUFCT-HXUWFJFHSA-N 1 0 314.473 4.256 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC001560530957 1060333455 /nfs/dbraw/zinc/33/34/55/1060333455.db2.gz RPGZYPSLWMJUTD-PBHICJAKSA-N 1 0 321.436 4.458 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC001560531958 1060334651 /nfs/dbraw/zinc/33/46/51/1060334651.db2.gz QRXNXEGKODAIHT-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC001560534983 1060337129 /nfs/dbraw/zinc/33/71/29/1060337129.db2.gz BAVJFQHZFADLNO-UHFFFAOYSA-N 1 0 305.208 4.463 20 30 DIEDRO COc1cccc([C@H]2CCC[N@H+](Cc3cccc(C#N)c3F)C2)c1 ZINC001249692978 1060354316 /nfs/dbraw/zinc/35/43/16/1060354316.db2.gz GJZWMQDMPAAFST-KRWDZBQOSA-N 1 0 324.399 4.086 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001560555027 1060363381 /nfs/dbraw/zinc/36/33/81/1060363381.db2.gz WVCDRNKCTSGXKO-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)ccc1C#N ZINC001560562083 1060371507 /nfs/dbraw/zinc/37/15/07/1060371507.db2.gz JWRKDIDJMLTAHU-JKSUJKDBSA-N 1 0 308.347 4.101 20 30 DIEDRO CCC[C@H](C[NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC001560571171 1060380324 /nfs/dbraw/zinc/38/03/24/1060380324.db2.gz JEMNITNRXPMEFD-GOSISDBHSA-N 1 0 308.425 4.240 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1 ZINC001560594673 1060406695 /nfs/dbraw/zinc/40/66/95/1060406695.db2.gz VIXLWZQYSWEKBJ-LJQANCHMSA-N 1 0 315.457 4.080 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC001527120073 1060440570 /nfs/dbraw/zinc/44/05/70/1060440570.db2.gz VMBHNMWCONNBCY-MHORFTMASA-N 1 0 310.526 4.313 20 30 DIEDRO CCS[C@H]1CCCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001560634952 1060447195 /nfs/dbraw/zinc/44/71/95/1060447195.db2.gz NOQWNJWFDXWALW-SFHVURJKSA-N 1 0 314.498 4.349 20 30 DIEDRO Cc1ccc(C#N)c(Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC001249901289 1060465775 /nfs/dbraw/zinc/46/57/75/1060465775.db2.gz NVARBBDHWMRORM-UHFFFAOYSA-N 1 0 305.425 4.249 20 30 DIEDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)c1 ZINC001560646218 1060471201 /nfs/dbraw/zinc/47/12/01/1060471201.db2.gz TWFXPKIEUDRWAN-HXUWFJFHSA-N 1 0 320.436 4.082 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C[C@H](OC)C2CC2)C(C)(C)C)cc1 ZINC001560653195 1060477761 /nfs/dbraw/zinc/47/77/61/1060477761.db2.gz NTWGTBXUSGITQT-IBGZPJMESA-N 1 0 317.473 4.277 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C2(C#N)CC2)cc1 ZINC001560657252 1060480786 /nfs/dbraw/zinc/48/07/86/1060480786.db2.gz GYWLNSOPSVVIOW-UHFFFAOYSA-N 1 0 309.457 4.394 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1OC ZINC001560687249 1060532119 /nfs/dbraw/zinc/53/21/19/1060532119.db2.gz IXOTXVAIRQKHBK-STQMWFEESA-N 1 0 309.837 4.001 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001560703423 1060558436 /nfs/dbraw/zinc/55/84/36/1060558436.db2.gz VCAGPBBOZOXSDT-HNNXBMFYSA-N 1 0 310.482 4.158 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cccc3c2NCCC3)C2CC2)cc1 ZINC001560706480 1060564192 /nfs/dbraw/zinc/56/41/92/1060564192.db2.gz KZXWXPWMZAXJGY-UHFFFAOYSA-N 1 0 317.436 4.081 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001560708984 1060566196 /nfs/dbraw/zinc/56/61/96/1060566196.db2.gz XDVQOFYNOZNGEP-KRWDZBQOSA-N 1 0 304.865 4.092 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(F)cc(OCC)c1 ZINC001560709099 1060568029 /nfs/dbraw/zinc/56/80/29/1060568029.db2.gz ZXMQKMLYOYICSO-UHFFFAOYSA-N 1 0 303.377 4.048 20 30 DIEDRO N#Cc1ccc(Cc2ccc(C[NH+]3CCCCC3)c(F)c2)cc1 ZINC001250055402 1060573253 /nfs/dbraw/zinc/57/32/53/1060573253.db2.gz GWGLINLKMGBRNK-UHFFFAOYSA-N 1 0 308.400 4.274 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001560736787 1060606025 /nfs/dbraw/zinc/60/60/25/1060606025.db2.gz MNKDRPPPGZLYPK-BJLQDIEVSA-N 1 0 300.490 4.231 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001560742137 1060609386 /nfs/dbraw/zinc/60/93/86/1060609386.db2.gz SXGUHYBFPBKWLM-IRXDYDNUSA-N 1 0 306.494 4.035 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OCc2cccc(OC)c2)cc1)C1CC1 ZINC001560742155 1060609581 /nfs/dbraw/zinc/60/95/81/1060609581.db2.gz TZDXXZLMUZGGFV-UHFFFAOYSA-N 1 0 323.436 4.425 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)n1 ZINC001560768907 1060631677 /nfs/dbraw/zinc/63/16/77/1060631677.db2.gz MOFZIQGGXLETLB-HBMCJLEFSA-N 1 0 317.436 4.111 20 30 DIEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001560773413 1060636450 /nfs/dbraw/zinc/63/64/50/1060636450.db2.gz ZIAYPLMIAUJTCB-WBVHZDCISA-N 1 0 302.418 4.252 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001560791162 1060651318 /nfs/dbraw/zinc/65/13/18/1060651318.db2.gz CEAIMRBRHCYSQT-GOSISDBHSA-N 1 0 311.425 4.416 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC001560791294 1060651827 /nfs/dbraw/zinc/65/18/27/1060651827.db2.gz FWRQUPHGGDUSBW-RISCZKNCSA-N 1 0 314.242 4.464 20 30 DIEDRO C#C[C@@H](C)[N@H+](C)C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001560792995 1060651908 /nfs/dbraw/zinc/65/19/08/1060651908.db2.gz BOYKILTYMANAAU-IBWPDUFMSA-N 1 0 305.421 4.232 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2snc(OC)c2Cl)CCCC1(C)C ZINC001560793202 1060654069 /nfs/dbraw/zinc/65/40/69/1060654069.db2.gz IECSZXVBPIBYPE-LBPRGKRZSA-N 1 0 314.882 4.372 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001560795094 1060655574 /nfs/dbraw/zinc/65/55/74/1060655574.db2.gz MAEHIHDJDSWENJ-IXDOHACOSA-N 1 0 322.493 4.063 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c(F)c1 ZINC001560818604 1060676802 /nfs/dbraw/zinc/67/68/02/1060676802.db2.gz PLMNFCBTFUGDQJ-SBHAEUEKSA-N 1 0 320.411 4.465 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)c1ccc(Cl)cc1F ZINC001560825792 1060685175 /nfs/dbraw/zinc/68/51/75/1060685175.db2.gz XRALPTPHFAVSAY-WWGRRREGSA-N 1 0 311.853 4.417 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001560841884 1060697380 /nfs/dbraw/zinc/69/73/80/1060697380.db2.gz FVJQBXPDKUMDMM-GVDBMIGSSA-N 1 0 322.493 4.110 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CCC1CC1)c1ccc(Br)cc1 ZINC001560854243 1060712108 /nfs/dbraw/zinc/71/21/08/1060712108.db2.gz DQZQGCTYLCTMIC-WBMJQRKESA-N 1 0 306.247 4.292 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)Cc2coc3ccccc23)cc1 ZINC001560845670 1060703059 /nfs/dbraw/zinc/70/30/59/1060703059.db2.gz XKZNOCAPMRGBHT-INIZCTEOSA-N 1 0 319.404 4.166 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001560853401 1060709452 /nfs/dbraw/zinc/70/94/52/1060709452.db2.gz XSVYESHQUZBPAK-HOTGVXAUSA-N 1 0 324.509 4.214 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1 ZINC001560865266 1060724836 /nfs/dbraw/zinc/72/48/36/1060724836.db2.gz VGAHDQUNVDZZAW-QAPCUYQASA-N 1 0 320.823 4.253 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC001560891126 1060754612 /nfs/dbraw/zinc/75/46/12/1060754612.db2.gz ZGOOXYNDIUKCKK-CJNGLKHVSA-N 1 0 322.374 4.414 20 30 DIEDRO C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]Cc1ccc(C#N)s1 ZINC001560893054 1060756937 /nfs/dbraw/zinc/75/69/37/1060756937.db2.gz FKBMXCZZGCDYLE-AWEZNQCLSA-N 1 0 310.466 4.219 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC001560902655 1060765158 /nfs/dbraw/zinc/76/51/58/1060765158.db2.gz GVSUXLBKIUQEBC-XHSDSOJGSA-N 1 0 312.498 4.403 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001560903364 1060766771 /nfs/dbraw/zinc/76/67/71/1060766771.db2.gz UDQIPSLDWHVZFZ-XHSDSOJGSA-N 1 0 312.498 4.403 20 30 DIEDRO Cc1cc(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)ccc1C#N ZINC001560911575 1060771289 /nfs/dbraw/zinc/77/12/89/1060771289.db2.gz GJCOOFYTQIQHRE-OAHLLOKOSA-N 1 0 308.400 4.168 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC001560927069 1060790476 /nfs/dbraw/zinc/79/04/76/1060790476.db2.gz GIFZDEPABUUWDL-PNKHAZJDSA-N 1 0 307.478 4.079 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC001560928702 1060792752 /nfs/dbraw/zinc/79/27/52/1060792752.db2.gz ZTVOHRVVOAJJDB-NHCUHLMSSA-N 1 0 304.437 4.201 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001560970591 1060835207 /nfs/dbraw/zinc/83/52/07/1060835207.db2.gz BGIPUJBSPCCIOC-ZACQAIPSSA-N 1 0 324.509 4.404 20 30 DIEDRO CCSc1ccccc1CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001561000988 1060861776 /nfs/dbraw/zinc/86/17/76/1060861776.db2.gz GWLIKIXZGXNLHT-UHFFFAOYSA-N 1 0 314.429 4.142 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc2c(c(OC)c1)OCC=C2 ZINC001250512276 1060864657 /nfs/dbraw/zinc/86/46/57/1060864657.db2.gz RAJAKYYKJDEHCN-UHFFFAOYSA-N 1 0 321.420 4.289 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cscc2Cl)C1 ZINC001561010306 1060868015 /nfs/dbraw/zinc/86/80/15/1060868015.db2.gz LOTJJJICCAIGBK-UHFFFAOYSA-N 1 0 302.830 4.115 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001561056396 1060905337 /nfs/dbraw/zinc/90/53/37/1060905337.db2.gz NKKUGIYMYXXHBM-WDYCEAGBSA-N 1 0 301.430 4.004 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1)[C@H]1CCCO1 ZINC001462122199 1060942967 /nfs/dbraw/zinc/94/29/67/1060942967.db2.gz BSGBVMBLXDTIMC-CEXWTWQISA-N 1 0 315.844 4.046 20 30 DIEDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC001473194786 1060954774 /nfs/dbraw/zinc/95/47/74/1060954774.db2.gz LBSOWLPAFQQJIH-LJQANCHMSA-N 1 0 308.425 4.020 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC001473216731 1060990591 /nfs/dbraw/zinc/99/05/91/1060990591.db2.gz YWNRMEQAFJPKBF-LPHOPBHVSA-N 1 0 320.436 4.020 20 30 DIEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001473216312 1060992496 /nfs/dbraw/zinc/99/24/96/1060992496.db2.gz RTWZOEWDBZAMKS-LAUBAEHRSA-N 1 0 304.437 4.054 20 30 DIEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC#N)c1ccc(C2CCCCC2)cc1 ZINC001473233179 1061013079 /nfs/dbraw/zinc/01/30/79/1061013079.db2.gz YWFLLTQDBJLEFH-WOJBJXKFSA-N 1 0 314.473 4.296 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001462198750 1061019937 /nfs/dbraw/zinc/01/99/37/1061019937.db2.gz LHUABUHHQNBSIV-CYBMUJFWSA-N 1 0 316.367 4.247 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC001462205177 1061024292 /nfs/dbraw/zinc/02/42/92/1061024292.db2.gz ZBHOFUWKALKFME-RTWAWAEBSA-N 1 0 321.468 4.285 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC001462204875 1061025100 /nfs/dbraw/zinc/02/51/00/1061025100.db2.gz WGRIBZLAKBHZFK-CQSZACIVSA-N 1 0 319.326 4.288 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1)C(C)C ZINC001462212110 1061029135 /nfs/dbraw/zinc/02/91/35/1061029135.db2.gz QYSVNLYGXQVYEG-MAUKXSAKSA-N 1 0 307.865 4.443 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260045 1061034157 /nfs/dbraw/zinc/03/41/57/1061034157.db2.gz PRPYIWGAZUACPU-MOPGFXCFSA-N 1 0 317.448 4.093 20 30 DIEDRO C#CCOCC[NH2+][C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001473310304 1061074488 /nfs/dbraw/zinc/07/44/88/1061074488.db2.gz ISZAEBAIJDGBGY-VXKWHMMOSA-N 1 0 319.448 4.087 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1sc(N2CCCC2)nc1Cl ZINC001462281454 1061076019 /nfs/dbraw/zinc/07/60/19/1061076019.db2.gz UPQCEJSAYNRWKB-UHFFFAOYSA-N 1 0 313.898 4.089 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOc2ccc(Cl)c(Cl)c2)C1 ZINC001462285254 1061078400 /nfs/dbraw/zinc/07/84/00/1061078400.db2.gz UMYNWTYJRWHOMY-NEPJUHHUSA-N 1 0 313.228 4.044 20 30 DIEDRO Clc1cccc(C#CC[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC001473314956 1061080635 /nfs/dbraw/zinc/08/06/35/1061080635.db2.gz PNNOORFKLNOCLB-HXUWFJFHSA-N 1 0 309.840 4.302 20 30 DIEDRO CCCCCCCCCC[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC001473317628 1061082003 /nfs/dbraw/zinc/08/20/03/1061082003.db2.gz AIYJWWNEZVBLMK-UHFFFAOYSA-N 1 0 321.484 4.483 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(OC)ccc1Cl ZINC001473318859 1061082615 /nfs/dbraw/zinc/08/26/15/1061082615.db2.gz YUQHDUUOIFQJRY-UHFFFAOYSA-N 1 0 305.805 4.172 20 30 DIEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001473317972 1061083065 /nfs/dbraw/zinc/08/30/65/1061083065.db2.gz LBQIMWHRFYTBCW-DZGCQCFKSA-N 1 0 311.347 4.200 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001473319492 1061085653 /nfs/dbraw/zinc/08/56/53/1061085653.db2.gz UXHHMGKKAFXMDU-VQTJNVASSA-N 1 0 311.425 4.230 20 30 DIEDRO CC(C)Cc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC001462307779 1061097059 /nfs/dbraw/zinc/09/70/59/1061097059.db2.gz UGNMYIXJNDTXDF-DLBZAZTESA-N 1 0 321.468 4.434 20 30 DIEDRO C#CCOCC[NH2+][C@@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC001473340438 1061100746 /nfs/dbraw/zinc/10/07/46/1061100746.db2.gz IAVLNYRMKNZWHS-HNNXBMFYSA-N 1 0 300.229 4.074 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001462319413 1061102466 /nfs/dbraw/zinc/10/24/66/1061102466.db2.gz QTZZMYFLRNVXNJ-YLJYHZDGSA-N 1 0 302.506 4.432 20 30 DIEDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)c1 ZINC001473349393 1061106125 /nfs/dbraw/zinc/10/61/25/1061106125.db2.gz AEAZKABOBHMVJC-QGZVFWFLSA-N 1 0 300.446 4.055 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC001462335302 1061112384 /nfs/dbraw/zinc/11/23/84/1061112384.db2.gz SZJOFQAVMXARBQ-ZWKOTPCHSA-N 1 0 316.448 4.412 20 30 DIEDRO C[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC001462337027 1061113417 /nfs/dbraw/zinc/11/34/17/1061113417.db2.gz XMNDIMTXSAOXHB-PXNSSMCTSA-N 1 0 308.400 4.465 20 30 DIEDRO C=C(CC)C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC001462342025 1061117855 /nfs/dbraw/zinc/11/78/55/1061117855.db2.gz MOZBIFWYTZIQQA-UHFFFAOYSA-N 1 0 301.474 4.496 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(CC3CCC3)c2)cc1F ZINC001462350064 1061121487 /nfs/dbraw/zinc/12/14/87/1061121487.db2.gz VLTTVVMAWUSXCP-UHFFFAOYSA-N 1 0 308.400 4.330 20 30 DIEDRO C=CCC[N@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC001473391532 1061131693 /nfs/dbraw/zinc/13/16/93/1061131693.db2.gz SJTWWRXEXIMPQJ-UHFFFAOYSA-N 1 0 301.352 4.372 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC001462368220 1061132046 /nfs/dbraw/zinc/13/20/46/1061132046.db2.gz QLSRPTSTMWXCSQ-GFCCVEGCSA-N 1 0 304.846 4.185 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001473390909 1061132030 /nfs/dbraw/zinc/13/20/30/1061132030.db2.gz IJEVQXHNTRJSCN-QUCCMNQESA-N 1 0 320.436 4.068 20 30 DIEDRO C=CCCCC[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC001473402169 1061136228 /nfs/dbraw/zinc/13/62/28/1061136228.db2.gz LHIINROGSBMDMU-UHFFFAOYSA-N 1 0 308.263 4.472 20 30 DIEDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H](C)CCC#N)cc1 ZINC001462409275 1061156788 /nfs/dbraw/zinc/15/67/88/1061156788.db2.gz FKTYVVISZGOCSO-AEFFLSMTSA-N 1 0 300.446 4.032 20 30 DIEDRO C=C(C)C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC001473443128 1061161174 /nfs/dbraw/zinc/16/11/74/1061161174.db2.gz ADGOKECDZVWXDY-UHFFFAOYSA-N 1 0 320.436 4.405 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC1CCC(C#N)CC1 ZINC001473448558 1061165406 /nfs/dbraw/zinc/16/54/06/1061165406.db2.gz KRRIPAQTXYAYNS-RJYAGPCLSA-N 1 0 300.446 4.408 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C1(C)C ZINC001473457778 1061169920 /nfs/dbraw/zinc/16/99/20/1061169920.db2.gz DIITUPXKUUNRMN-SJORKVTESA-N 1 0 320.864 4.285 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1(C)C ZINC001473457639 1061170548 /nfs/dbraw/zinc/17/05/48/1061170548.db2.gz COJVQWBTRKOSCB-JCGIZDLHSA-N 1 0 300.446 4.193 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001473475960 1061179813 /nfs/dbraw/zinc/17/98/13/1061179813.db2.gz YKZOUBUZSWPLOL-UHFFFAOYSA-N 1 0 306.400 4.159 20 30 DIEDRO CC1(C)C[C@]1(C[NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC001462454857 1061183887 /nfs/dbraw/zinc/18/38/87/1061183887.db2.gz XRGKEVQANXWAPE-FQEVSTJZSA-N 1 0 308.400 4.155 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC001462463571 1061191628 /nfs/dbraw/zinc/19/16/28/1061191628.db2.gz KMTHBMJHQBODLF-VQIMIIECSA-N 1 0 303.446 4.331 20 30 DIEDRO Fc1ccccc1[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001473497558 1061193976 /nfs/dbraw/zinc/19/39/76/1061193976.db2.gz DGYSOJRCMIWIPR-MRXNPFEDSA-N 1 0 313.803 4.320 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1ccccc1C(=O)OC(C)(C)C ZINC001462477581 1061198052 /nfs/dbraw/zinc/19/80/52/1061198052.db2.gz ZQELFAMXCGOHGH-UHFFFAOYSA-N 1 0 315.457 4.315 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(CC#N)cc3)C2)cc1 ZINC001473508587 1061202382 /nfs/dbraw/zinc/20/23/82/1061202382.db2.gz INBSTRDJCKSAGZ-OAQYLSRUSA-N 1 0 304.437 4.305 20 30 DIEDRO C#Cc1ccc(CN2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC001462487501 1061207016 /nfs/dbraw/zinc/20/70/16/1061207016.db2.gz WYIIWLLSXPQMCE-UHFFFAOYSA-N 1 0 315.338 4.245 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC001462500830 1061214506 /nfs/dbraw/zinc/21/45/06/1061214506.db2.gz BJNVHGYXTITQNU-OLUCIUBSSA-N 1 0 307.384 4.129 20 30 DIEDRO C=CCCCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001473520947 1061218115 /nfs/dbraw/zinc/21/81/15/1061218115.db2.gz HFPRKQHQIYMDDV-GOSISDBHSA-N 1 0 322.493 4.256 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525789 1061222076 /nfs/dbraw/zinc/22/20/76/1061222076.db2.gz GRABCNWIIQPEJG-UXHICEINSA-N 1 0 320.436 4.236 20 30 DIEDRO CCc1cccc(Cl)c1C[N@H+](C)CCc1cccc(C#N)c1 ZINC001462518830 1061230270 /nfs/dbraw/zinc/23/02/70/1061230270.db2.gz MDYZIXYIHCLTNV-UHFFFAOYSA-N 1 0 312.844 4.449 20 30 DIEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C1(C)C ZINC001473542010 1061233778 /nfs/dbraw/zinc/23/37/78/1061233778.db2.gz LFPLERPXAPXQNZ-JKSUJKDBSA-N 1 0 320.864 4.283 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001455763362 1061234992 /nfs/dbraw/zinc/23/49/92/1061234992.db2.gz WOMOVLLLZZIDEH-OKZBNKHCSA-N 1 0 308.510 4.068 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)s1 ZINC001473558782 1061246232 /nfs/dbraw/zinc/24/62/32/1061246232.db2.gz ABFGNBDGZCHANT-AWEZNQCLSA-N 1 0 318.392 4.105 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001473564130 1061249781 /nfs/dbraw/zinc/24/97/81/1061249781.db2.gz JIIFUBZVSWEWFS-IAGOWNOFSA-N 1 0 300.446 4.213 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001462566681 1061268633 /nfs/dbraw/zinc/26/86/33/1061268633.db2.gz OUFFAPWKOHFRRZ-GPMSIDNRSA-N 1 0 322.493 4.110 20 30 DIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1 ZINC001462576530 1061271986 /nfs/dbraw/zinc/27/19/86/1061271986.db2.gz FCOIOZYRZOZEOP-JKSUJKDBSA-N 1 0 308.425 4.157 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC001473587326 1061274582 /nfs/dbraw/zinc/27/45/82/1061274582.db2.gz JMDNWHRKPSRTDW-UONOGXRCSA-N 1 0 314.816 4.401 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001462587236 1061282579 /nfs/dbraw/zinc/28/25/79/1061282579.db2.gz GLTXBMCTLMZSAA-PMACEKPBSA-N 1 0 304.437 4.273 20 30 DIEDRO C=CCC1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC001462593015 1061285330 /nfs/dbraw/zinc/28/53/30/1061285330.db2.gz HJKIYJSIPDZNGO-UHFFFAOYSA-N 1 0 321.464 4.222 20 30 DIEDRO N#CCC1(C[NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC001473612709 1061287376 /nfs/dbraw/zinc/28/73/76/1061287376.db2.gz AQMCZCIAZLYKIL-UHFFFAOYSA-N 1 0 319.246 4.112 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC001473617245 1061291322 /nfs/dbraw/zinc/29/13/22/1061291322.db2.gz NAGQUFXDWSCCCW-FOIQADDNSA-N 1 0 308.400 4.422 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC001473627420 1061299961 /nfs/dbraw/zinc/29/99/61/1061299961.db2.gz JWDKSYBLJSRHCX-NSHDSACASA-N 1 0 300.265 4.299 20 30 DIEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001473627234 1061301011 /nfs/dbraw/zinc/30/10/11/1061301011.db2.gz HJZPDMLGQJFUMC-GOSISDBHSA-N 1 0 322.452 4.449 20 30 DIEDRO CCc1cccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1O ZINC001462626732 1061305510 /nfs/dbraw/zinc/30/55/10/1061305510.db2.gz JGQUCWHVWBNDCY-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(F)c(Cl)c1)c1cccc(C#N)c1 ZINC001473636088 1061307089 /nfs/dbraw/zinc/30/70/89/1061307089.db2.gz MDVLYJXKTDAKKM-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO CC(C)([NH2+]Cc1ccc([Si](C)(C)C)cc1)c1cccc(C#N)c1 ZINC001473636108 1061307988 /nfs/dbraw/zinc/30/79/88/1061307988.db2.gz MWGOEDHZODTFPJ-UHFFFAOYSA-N 1 0 322.528 4.128 20 30 DIEDRO Cc1ccc([C@H](C)C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC001462632473 1061308603 /nfs/dbraw/zinc/30/86/03/1061308603.db2.gz WMCRYIOPUWGFCD-DYESRHJHSA-N 1 0 320.436 4.044 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001473637606 1061309261 /nfs/dbraw/zinc/30/92/61/1061309261.db2.gz IYNYBZJKAAQNDQ-PBHICJAKSA-N 1 0 320.864 4.393 20 30 DIEDRO FC(F)(F)Sc1ccccc1C[NH2+]CC#Cc1ccccc1 ZINC001462641578 1061311880 /nfs/dbraw/zinc/31/18/80/1061311880.db2.gz CZELEHCYGNARRI-UHFFFAOYSA-N 1 0 321.367 4.440 20 30 DIEDRO C=CCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCCC1 ZINC001473647771 1061313715 /nfs/dbraw/zinc/31/37/15/1061313715.db2.gz RENYOWDTBWOZBO-UHFFFAOYSA-N 1 0 318.417 4.361 20 30 DIEDRO Cc1[nH]c2ccccc2c1SCC[NH2+]CC#Cc1ccccc1 ZINC001462674804 1061329949 /nfs/dbraw/zinc/32/99/49/1061329949.db2.gz WNPXPMXUPHVMTD-UHFFFAOYSA-N 1 0 320.461 4.210 20 30 DIEDRO CCCC[C@H](CC)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC001473710555 1061362717 /nfs/dbraw/zinc/36/27/17/1061362717.db2.gz CQTIGFIPHGHFOX-KRWDZBQOSA-N 1 0 314.473 4.370 20 30 DIEDRO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC1(CC#N)CC1 ZINC001473730054 1061376722 /nfs/dbraw/zinc/37/67/22/1061376722.db2.gz KQSRLDAQFBKUCF-QGZVFWFLSA-N 1 0 304.384 4.056 20 30 DIEDRO CC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1OC ZINC001473735667 1061379092 /nfs/dbraw/zinc/37/90/92/1061379092.db2.gz HJBVGLANPMFANO-SFHVURJKSA-N 1 0 313.828 4.441 20 30 DIEDRO Cc1cncc([C@H]2CCCN2Cc2ccc(C#N)cc2Cl)c1 ZINC001473734022 1061381072 /nfs/dbraw/zinc/38/10/72/1061381072.db2.gz MBCOSVZZOSEGDO-GOSISDBHSA-N 1 0 311.816 4.252 20 30 DIEDRO C=C(C)c1cccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC001456872373 1061381159 /nfs/dbraw/zinc/38/11/59/1061381159.db2.gz KAEINBGGBSXEII-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO C=CCCC[C@H]([NH2+]CC(=O)NCCC(C)(C)C)c1ccccc1 ZINC001473760066 1061396609 /nfs/dbraw/zinc/39/66/09/1061396609.db2.gz VXGYOGBCQLBLNE-SFHVURJKSA-N 1 0 316.489 4.226 20 30 DIEDRO COc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1Cl ZINC001473786692 1061408756 /nfs/dbraw/zinc/40/87/56/1061408756.db2.gz IGNMFTWUUYSFSO-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO CC(C)([NH2+]CC#Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001473799645 1061413898 /nfs/dbraw/zinc/41/38/98/1061413898.db2.gz AYOJGYRAVNULQE-UHFFFAOYSA-N 1 0 301.792 4.356 20 30 DIEDRO C=CCCCCCCCCNC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001251609457 1061416905 /nfs/dbraw/zinc/41/69/05/1061416905.db2.gz UGHPPTXSMHOSEA-ZWKOTPCHSA-N 1 0 323.525 4.027 20 30 DIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC001473843524 1061431644 /nfs/dbraw/zinc/43/16/44/1061431644.db2.gz FDNLOYSHWGPDKG-MQGIHEMASA-N 1 0 305.396 4.355 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](C3CCCC3)C2)c1 ZINC001473886992 1061450731 /nfs/dbraw/zinc/45/07/31/1061450731.db2.gz LNOLNPCMTWUYBL-LJQANCHMSA-N 1 0 312.457 4.229 20 30 DIEDRO CCCC[C@@H](CC)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC001473911667 1061458219 /nfs/dbraw/zinc/45/82/19/1061458219.db2.gz KPLIPDZNDBBYFV-QGZVFWFLSA-N 1 0 313.489 4.333 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N(C)C)C1 ZINC001473912093 1061458819 /nfs/dbraw/zinc/45/88/19/1061458819.db2.gz ZDGLSYWBHJTMOO-IIDMSEBBSA-N 1 0 306.881 4.277 20 30 DIEDRO C[C@@H]1CCCC[C@H]1C[NH2+]CCSCc1ccccc1C#N ZINC001473916305 1061463077 /nfs/dbraw/zinc/46/30/77/1061463077.db2.gz UHLTZKZHLBWMPL-WBVHZDCISA-N 1 0 302.487 4.207 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC)cc1OC ZINC001473922777 1061472885 /nfs/dbraw/zinc/47/28/85/1061472885.db2.gz JSNZNWUJNLVVAF-SJORKVTESA-N 1 0 303.446 4.318 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNCc1c(F)cc(C)cc1F)C(C)C ZINC001473927375 1061475741 /nfs/dbraw/zinc/47/57/41/1061475741.db2.gz KCQKCFDIFVYQLY-IBGZPJMESA-N 1 0 322.443 4.061 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)C1 ZINC001473930239 1061478103 /nfs/dbraw/zinc/47/81/03/1061478103.db2.gz CFKLPDLMPGWHHP-RDJZCZTQSA-N 1 0 300.446 4.237 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C(C)(C)Cc2ccccc2C)cc1 ZINC001473986634 1061529570 /nfs/dbraw/zinc/52/95/70/1061529570.db2.gz KCTNFRODDMXRQR-UHFFFAOYSA-N 1 0 307.437 4.118 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CSCc3ccccc32)c1 ZINC001473993397 1061537479 /nfs/dbraw/zinc/53/74/79/1061537479.db2.gz XCYFCCDOACOWLJ-LJQANCHMSA-N 1 0 311.450 4.329 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](c1ccc([C@@H](C)CC)cc1)C(C)C ZINC001463961900 1061538738 /nfs/dbraw/zinc/53/87/38/1061538738.db2.gz MEXGABBJZFALGN-HNAYVOBHSA-N 1 0 316.489 4.131 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+]Cc2cccc(OCC#N)c2)cc1C ZINC001474001291 1061542054 /nfs/dbraw/zinc/54/20/54/1061542054.db2.gz KGIVEJNRPBRTIZ-FNORWQNLSA-N 1 0 320.436 4.317 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(Cl)cc2OC)c1 ZINC001474008652 1061549206 /nfs/dbraw/zinc/54/92/06/1061549206.db2.gz HBFFFJXQEQYGNK-UHFFFAOYSA-N 1 0 317.816 4.203 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1ccncc1 ZINC001474008130 1061550435 /nfs/dbraw/zinc/55/04/35/1061550435.db2.gz WAVZGPCEPWZSPX-HXUWFJFHSA-N 1 0 309.457 4.335 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC001474011246 1061552664 /nfs/dbraw/zinc/55/26/64/1061552664.db2.gz OJRVPHOSZHACKZ-ZDUSSCGKSA-N 1 0 303.352 4.380 20 30 DIEDRO Cc1ccc(O[C@@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC001474025448 1061563498 /nfs/dbraw/zinc/56/34/98/1061563498.db2.gz RUBWFGDIPVZFKE-KRWDZBQOSA-N 1 0 322.452 4.353 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001252121122 1061580459 /nfs/dbraw/zinc/58/04/59/1061580459.db2.gz CGYPDZXVJZQXHL-LSDHHAIUSA-N 1 0 309.416 4.167 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001252126585 1061583885 /nfs/dbraw/zinc/58/38/85/1061583885.db2.gz QYFAECSVBHZRNW-OWCLPIDISA-N 1 0 303.437 4.075 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH+]1CCC(c2ccccn2)CC1 ZINC001252130526 1061584235 /nfs/dbraw/zinc/58/42/35/1061584235.db2.gz SMGATFSJWZFVLQ-IBGZPJMESA-N 1 0 318.505 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001252126551 1061584978 /nfs/dbraw/zinc/58/49/78/1061584978.db2.gz QLCOLVCEZSKHOX-OAGGEKHMSA-N 1 0 303.437 4.075 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001252130483 1061586063 /nfs/dbraw/zinc/58/60/63/1061586063.db2.gz RKNBPAKBVXFKJE-RTBURBONSA-N 1 0 318.505 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001252128627 1061586722 /nfs/dbraw/zinc/58/67/22/1061586722.db2.gz PMSPYQSHUOFFHK-RBUKOAKNSA-N 1 0 304.478 4.330 20 30 DIEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001474040230 1061586874 /nfs/dbraw/zinc/58/68/74/1061586874.db2.gz VLLZEGIUUNXGBD-QFBILLFUSA-N 1 0 313.489 4.341 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001252128914 1061586973 /nfs/dbraw/zinc/58/69/73/1061586973.db2.gz RXJFEJGNOGIKKW-MJGOQNOKSA-N 1 0 304.478 4.330 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](C)c1nc2ccccc2[nH]1 ZINC001252131431 1061589336 /nfs/dbraw/zinc/58/93/36/1061589336.db2.gz NPDCYLHECWXMDJ-CVEARBPZSA-N 1 0 317.477 4.325 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001252133910 1061591226 /nfs/dbraw/zinc/59/12/26/1061591226.db2.gz LZIPJYGWMUPNCT-LJQANCHMSA-N 1 0 314.473 4.248 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](c1cccnc1)C(C)C ZINC001252132811 1061592127 /nfs/dbraw/zinc/59/21/27/1061592127.db2.gz CLHISAOBPBNLAZ-OALUTQOASA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC001252132812 1061592671 /nfs/dbraw/zinc/59/26/71/1061592671.db2.gz CLHISAOBPBNLAZ-RBUKOAKNSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](C)CCCC(C)(C)O ZINC001252134171 1061592810 /nfs/dbraw/zinc/59/28/10/1061592810.db2.gz NZRAGXCZSJEVJP-SJORKVTESA-N 1 0 301.515 4.017 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCCc2ncccc21 ZINC001252133040 1061593105 /nfs/dbraw/zinc/59/31/05/1061593105.db2.gz FJZLNFQETMYOTB-APWZRJJASA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cc2ccccc2cn1 ZINC001252137611 1061593712 /nfs/dbraw/zinc/59/37/12/1061593712.db2.gz ZJXHFENIUJFTRJ-HXUWFJFHSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc2ncoc21 ZINC001252138686 1061593902 /nfs/dbraw/zinc/59/39/02/1061593902.db2.gz CEXREQYJDFHAJG-INIZCTEOSA-N 1 0 304.434 4.029 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001252137297 1061595335 /nfs/dbraw/zinc/59/53/35/1061595335.db2.gz XHVSKNYASVBQQC-GOSISDBHSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc2cnccc21 ZINC001252138731 1061595452 /nfs/dbraw/zinc/59/54/52/1061595452.db2.gz FSRKHBCLCFMGLV-IBGZPJMESA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1c[nH]c2ccccc12 ZINC001252137200 1061595537 /nfs/dbraw/zinc/59/55/37/1061595537.db2.gz WHKMTBTZQGSMNZ-QGZVFWFLSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)Cc1ccccn1 ZINC001252138592 1061596051 /nfs/dbraw/zinc/59/60/51/1061596051.db2.gz DUSYVOBYZQEUHD-IBGZPJMESA-N 1 0 320.521 4.351 20 30 DIEDRO CCCCCCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001464454429 1061596834 /nfs/dbraw/zinc/59/68/34/1061596834.db2.gz XXCJGLBAWOFZSK-KRWDZBQOSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C1(CC(C)C)CCOCC1 ZINC001252139737 1061596749 /nfs/dbraw/zinc/59/67/49/1061596749.db2.gz REDARQNJGJNBNJ-SFHVURJKSA-N 1 0 313.526 4.283 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cc(OC(C)C)ccn1 ZINC001252138808 1061597169 /nfs/dbraw/zinc/59/71/69/1061597169.db2.gz GGGLVPRDPJVZQA-SFHVURJKSA-N 1 0 322.493 4.070 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1(c2cccc(C)n2)CC1 ZINC001252139061 1061597834 /nfs/dbraw/zinc/59/78/34/1061597834.db2.gz ISOFSPMRWGKNLA-GOSISDBHSA-N 1 0 318.505 4.123 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc2cccnc21 ZINC001252139989 1061598129 /nfs/dbraw/zinc/59/81/29/1061598129.db2.gz WJXJIVMDUXGQQL-IBGZPJMESA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC001252140077 1061598283 /nfs/dbraw/zinc/59/82/83/1061598283.db2.gz YBSUJPXWBYEXMI-RBUKOAKNSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001252140304 1061599314 /nfs/dbraw/zinc/59/93/14/1061599314.db2.gz PEDDSXGIUFAEHC-QGZVFWFLSA-N 1 0 313.526 4.424 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC001252140632 1061599886 /nfs/dbraw/zinc/59/98/86/1061599886.db2.gz RWGOENFSCVEIRD-PKOBYXMFSA-N 1 0 305.462 4.081 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(OC)c1F ZINC001252140312 1061600333 /nfs/dbraw/zinc/60/03/33/1061600333.db2.gz PNEKIANGQPWXSQ-MRXNPFEDSA-N 1 0 311.441 4.035 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc2cc[nH]c21 ZINC001252140801 1061600757 /nfs/dbraw/zinc/60/07/57/1061600757.db2.gz UPKCPKCNWFEWBN-GOSISDBHSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc2ocnc2c1 ZINC001252140407 1061601171 /nfs/dbraw/zinc/60/11/71/1061601171.db2.gz QDBQMHUXTBKCFI-INIZCTEOSA-N 1 0 304.434 4.029 20 30 DIEDRO C=CCC1(C(=O)NC[C@H]2CCCC[N@H+]2CCCC)CCCCC1 ZINC001464563796 1061607454 /nfs/dbraw/zinc/60/74/54/1061607454.db2.gz VICSMJSTJDEYBL-GOSISDBHSA-N 1 0 320.521 4.284 20 30 DIEDRO COc1cc(C)ccc1Oc1ccccc1C[NH2+]CCCC#N ZINC001474111316 1061661819 /nfs/dbraw/zinc/66/18/19/1061661819.db2.gz XWAYJWZIQJWLJM-UHFFFAOYSA-N 1 0 310.397 4.189 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccc(Sc2ccccc2)cc1)[C@@H]1CCCO1 ZINC001474118522 1061669121 /nfs/dbraw/zinc/66/91/21/1061669121.db2.gz MNMVUKRTFQUVGY-PMACEKPBSA-N 1 0 323.461 4.108 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001252601689 1061672928 /nfs/dbraw/zinc/67/29/28/1061672928.db2.gz CPIYLUAVUZGWBO-WTOYTKOKSA-N 1 0 319.448 4.190 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001252621769 1061680409 /nfs/dbraw/zinc/68/04/09/1061680409.db2.gz HZZHBSYHBNTTTO-OAHLLOKOSA-N 1 0 313.363 4.001 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001474134375 1061681288 /nfs/dbraw/zinc/68/12/88/1061681288.db2.gz QSZGMPIZJJXLJE-WCXIOVBPSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001474134377 1061682008 /nfs/dbraw/zinc/68/20/08/1061682008.db2.gz QSZGMPIZJJXLJE-YVSFHVDLSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C(F)(F)F)c(Cl)c1 ZINC001252624495 1061682817 /nfs/dbraw/zinc/68/28/17/1061682817.db2.gz GPOKEBUMBQLJQH-ZYHUDNBSSA-N 1 0 321.770 4.337 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCC1 ZINC001474145697 1061690153 /nfs/dbraw/zinc/69/01/53/1061690153.db2.gz VUSFTFZCOKEBNX-UHFFFAOYSA-N 1 0 308.416 4.257 20 30 DIEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001474145655 1061691378 /nfs/dbraw/zinc/69/13/78/1061691378.db2.gz SWIYEROGULCXRS-OAQYLSRUSA-N 1 0 309.453 4.387 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC001474150053 1061693425 /nfs/dbraw/zinc/69/34/25/1061693425.db2.gz YGMVDGGPSULYPZ-UHFFFAOYSA-N 1 0 309.413 4.135 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC001474178619 1061723323 /nfs/dbraw/zinc/72/33/23/1061723323.db2.gz MBIUTNJUZXUGHP-UHFFFAOYSA-N 1 0 320.177 4.106 20 30 DIEDRO C=C(CC)C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC001474178104 1061723363 /nfs/dbraw/zinc/72/33/63/1061723363.db2.gz ANEASKHZGNHWEQ-UHFFFAOYSA-N 1 0 310.441 4.333 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1nc2c(s1)CCCC2 ZINC001474178229 1061724920 /nfs/dbraw/zinc/72/49/20/1061724920.db2.gz PYFMQMGKFXOBAY-INIZCTEOSA-N 1 0 312.482 4.299 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)c1 ZINC001474178927 1061725577 /nfs/dbraw/zinc/72/55/77/1061725577.db2.gz VMKZNBNWZLFWNJ-UHFFFAOYSA-N 1 0 320.219 4.273 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1CC1(C)C ZINC001474184206 1061733579 /nfs/dbraw/zinc/73/35/79/1061733579.db2.gz QMTVJRLSXFCLJC-ROUUACIJSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1Cl ZINC001474187824 1061736594 /nfs/dbraw/zinc/73/65/94/1061736594.db2.gz ZBCFWXLBPQOZBR-HOTGVXAUSA-N 1 0 305.849 4.431 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)cc1OC ZINC001474198260 1061746588 /nfs/dbraw/zinc/74/65/88/1061746588.db2.gz ZUNSAMZFQJGSTO-LJQANCHMSA-N 1 0 323.436 4.346 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001474208083 1061763561 /nfs/dbraw/zinc/76/35/61/1061763561.db2.gz RIQIPAQAEJYORR-ZNMIVQPWSA-N 1 0 304.503 4.492 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(C)nc1 ZINC001252982492 1061773280 /nfs/dbraw/zinc/77/32/80/1061773280.db2.gz FVBMXVKEZTYLBI-IBGZPJMESA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cc(OC)ccn1 ZINC001252986382 1061775062 /nfs/dbraw/zinc/77/50/62/1061775062.db2.gz MABLWEFCUMUEGI-GOSISDBHSA-N 1 0 322.493 4.072 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001252986945 1061775834 /nfs/dbraw/zinc/77/58/34/1061775834.db2.gz YNOQXEOVIQRMGK-RBUKOAKNSA-N 1 0 311.510 4.133 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCc2ncsc2C1 ZINC001252985667 1061777475 /nfs/dbraw/zinc/77/74/75/1061777475.db2.gz OUPKCXOJVIXIGM-INIZCTEOSA-N 1 0 324.534 4.393 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC001474219270 1061779442 /nfs/dbraw/zinc/77/94/42/1061779442.db2.gz XVTLDPPTJGUKFM-UHFFFAOYSA-N 1 0 319.399 4.057 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cncc(OC)c1 ZINC001252989339 1061779637 /nfs/dbraw/zinc/77/96/37/1061779637.db2.gz OIFKSYNVLJROAK-SFHVURJKSA-N 1 0 322.493 4.072 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(F)cn1 ZINC001252987164 1061779737 /nfs/dbraw/zinc/77/97/37/1061779737.db2.gz RFMWZBJVMLVNLQ-GOSISDBHSA-N 1 0 310.457 4.202 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cccc(CO)c1 ZINC001252987378 1061780367 /nfs/dbraw/zinc/78/03/67/1061780367.db2.gz RXTXPMOBLTTXOM-FQEVSTJZSA-N 1 0 321.505 4.160 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cn(C(C)C)cn1 ZINC001252988625 1061780592 /nfs/dbraw/zinc/78/05/92/1061780592.db2.gz HSHZTGUNMSVYGC-IBGZPJMESA-N 1 0 323.525 4.445 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cn(C(C)C)cn1 ZINC001252988634 1061780959 /nfs/dbraw/zinc/78/09/59/1061780959.db2.gz HSHZTGUNMSVYGC-LJQANCHMSA-N 1 0 323.525 4.445 20 30 DIEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001474225889 1061786985 /nfs/dbraw/zinc/78/69/85/1061786985.db2.gz AAMZRMHBNRAEMF-QGZVFWFLSA-N 1 0 313.828 4.135 20 30 DIEDRO C[C@@](O)(C[N@H+](CCC#N)C1CCCCCCC1)c1ccccc1 ZINC001253101272 1061800703 /nfs/dbraw/zinc/80/07/03/1061800703.db2.gz RLMMPKXCOOWIHV-HXUWFJFHSA-N 1 0 314.473 4.223 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CCC[C@@H]2C=CCC2)ccc1OC ZINC001474254848 1061823642 /nfs/dbraw/zinc/82/36/42/1061823642.db2.gz NZUHRDPZUGWNKZ-QGZVFWFLSA-N 1 0 315.457 4.486 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)cc1C#N ZINC001474263978 1061829535 /nfs/dbraw/zinc/82/95/35/1061829535.db2.gz JCOWGFRFWPSDST-UHFFFAOYSA-N 1 0 318.392 4.471 20 30 DIEDRO C=CCCCCCC[C@H](O)CN(CCC#N)Cc1ccccc1 ZINC001253226699 1061830596 /nfs/dbraw/zinc/83/05/96/1061830596.db2.gz ACEJQRYDHPFJLX-FQEVSTJZSA-N 1 0 314.473 4.290 20 30 DIEDRO COc1cccc2c1CCC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C2 ZINC001474266440 1061832940 /nfs/dbraw/zinc/83/29/40/1061832940.db2.gz SNKBCTUYQZWFSK-KXBFYZLASA-N 1 0 320.436 4.165 20 30 DIEDRO COc1cccc2c1CCC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)C2 ZINC001474266437 1061833070 /nfs/dbraw/zinc/83/30/70/1061833070.db2.gz SNKBCTUYQZWFSK-BEFAXECRSA-N 1 0 320.436 4.165 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC2CCC(SC)CC2)c1 ZINC001474267236 1061833977 /nfs/dbraw/zinc/83/39/77/1061833977.db2.gz PDAZKOSNMWBXJZ-UHFFFAOYSA-N 1 0 305.487 4.263 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(c2cccnc2)CC1 ZINC001253238110 1061836162 /nfs/dbraw/zinc/83/61/62/1061836162.db2.gz BGOAOKPDMUIFIG-FQEVSTJZSA-N 1 0 316.489 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001253239889 1061837374 /nfs/dbraw/zinc/83/73/74/1061837374.db2.gz VGHZUTMSHWAMCA-MOPGFXCFSA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(COCC)C1 ZINC001253234835 1061837893 /nfs/dbraw/zinc/83/78/93/1061837893.db2.gz FZIPQRIXQXROOA-AABGKKOBSA-N 1 0 323.521 4.013 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(c2ccccn2)CC1 ZINC001253239792 1061838001 /nfs/dbraw/zinc/83/80/01/1061838001.db2.gz SOXMEFBVNFBHEZ-LJQANCHMSA-N 1 0 316.489 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+](C)CCC(=O)c1ccccc1 ZINC001253241385 1061841336 /nfs/dbraw/zinc/84/13/36/1061841336.db2.gz VTARJHOWJFUOGK-LJQANCHMSA-N 1 0 317.473 4.079 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001253243291 1061841492 /nfs/dbraw/zinc/84/14/92/1061841492.db2.gz UDRXQGLSINYGSX-MSOLQXFVSA-N 1 0 321.505 4.098 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(OC)c(OC)c2Cl)CCCCC1 ZINC001474279216 1061846661 /nfs/dbraw/zinc/84/66/61/1061846661.db2.gz MNYXPDJDEABSOO-UHFFFAOYSA-N 1 0 321.848 4.173 20 30 DIEDRO C=CCCCCCC[C@@H](O)CNc1ccc(CC[NH+](C)C)cc1 ZINC001253246668 1061847469 /nfs/dbraw/zinc/84/74/69/1061847469.db2.gz SLKVASBSTGQAPX-HXUWFJFHSA-N 1 0 318.505 4.090 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001253247371 1061848714 /nfs/dbraw/zinc/84/87/14/1061848714.db2.gz IOZFQGSQRUSMTJ-AWEZNQCLSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1OC ZINC001253248219 1061849783 /nfs/dbraw/zinc/84/97/83/1061849783.db2.gz RYHOHHJCXRVFEQ-IRXDYDNUSA-N 1 0 305.462 4.233 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(Cc2ccccc2)CC1 ZINC001253247704 1061850322 /nfs/dbraw/zinc/85/03/22/1061850322.db2.gz KCABQAFDYPDMAP-LJQANCHMSA-N 1 0 301.474 4.239 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC001253248243 1061850860 /nfs/dbraw/zinc/85/08/60/1061850860.db2.gz SPUKTMQUZZEZQW-KRWDZBQOSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001253252227 1061853546 /nfs/dbraw/zinc/85/35/46/1061853546.db2.gz SSASAKZSXREORB-FXAWDEMLSA-N 1 0 312.457 4.023 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC001253253137 1061853664 /nfs/dbraw/zinc/85/36/64/1061853664.db2.gz BYHOODXHHDAHRK-SFHVURJKSA-N 1 0 318.505 4.145 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2OC ZINC001253251525 1061853895 /nfs/dbraw/zinc/85/38/95/1061853895.db2.gz MAFCGGXVYBKQEG-APWZRJJASA-N 1 0 317.473 4.160 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC001253252065 1061853911 /nfs/dbraw/zinc/85/39/11/1061853911.db2.gz QQRIUBAMKYQVCP-PXNSSMCTSA-N 1 0 319.489 4.190 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC001253252633 1061854472 /nfs/dbraw/zinc/85/44/72/1061854472.db2.gz ZAHFKDIJWCAPGD-JKSUJKDBSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC001253251193 1061854947 /nfs/dbraw/zinc/85/49/47/1061854947.db2.gz HRBBDTGHACXHGW-SFHVURJKSA-N 1 0 305.437 4.292 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001253250664 1061855143 /nfs/dbraw/zinc/85/51/43/1061855143.db2.gz CTNLFAXVKZFOCZ-OALUTQOASA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cccc2ccncc21 ZINC001253251244 1061855269 /nfs/dbraw/zinc/85/52/69/1061855269.db2.gz IHKGGLMLNXVJSW-LJQANCHMSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC001253255690 1061856495 /nfs/dbraw/zinc/85/64/95/1061856495.db2.gz ZRDGTCJEJZRBGK-VQIMIIECSA-N 1 0 317.473 4.160 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(C)(C)Cc1ccccn1 ZINC001253255482 1061856741 /nfs/dbraw/zinc/85/67/41/1061856741.db2.gz YJPLJLAMGRTLKA-IBGZPJMESA-N 1 0 318.505 4.127 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)(C)Cc1ccccn1 ZINC001253255490 1061857193 /nfs/dbraw/zinc/85/71/93/1061857193.db2.gz YJPLJLAMGRTLKA-LJQANCHMSA-N 1 0 318.505 4.127 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1ncccc1F)C1CC1 ZINC001253254364 1061857260 /nfs/dbraw/zinc/85/72/60/1061857260.db2.gz PZRMXFSXHJZEDT-SJLPKXTDSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC001253254894 1061858210 /nfs/dbraw/zinc/85/82/10/1061858210.db2.gz VCLYFJKLXWSKOM-RTBURBONSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1ccc(C)cn1)C1CC1 ZINC001253255693 1061858298 /nfs/dbraw/zinc/85/82/98/1061858298.db2.gz ZUMBUZUHRMGKJZ-QUCCMNQESA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC001253255922 1061860471 /nfs/dbraw/zinc/86/04/71/1061860471.db2.gz OQETURNOSFIMAI-OALUTQOASA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC001253255921 1061861381 /nfs/dbraw/zinc/86/13/81/1061861381.db2.gz OQETURNOSFIMAI-MOPGFXCFSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cc2cccc(F)c2[nH]1 ZINC001253256550 1061861761 /nfs/dbraw/zinc/86/17/61/1061861761.db2.gz BGKACPKHEOSRBA-KRWDZBQOSA-N 1 0 318.436 4.284 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253359911 1061878742 /nfs/dbraw/zinc/87/87/42/1061878742.db2.gz VWAYJAHBOGNYHK-LJQANCHMSA-N 1 0 317.379 4.077 20 30 DIEDRO C=C(C)C[NH2+]C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253496092 1061906573 /nfs/dbraw/zinc/90/65/73/1061906573.db2.gz CRYXKGHTDUDBQF-SFHVURJKSA-N 1 0 309.881 4.216 20 30 DIEDRO C#CC(C)(C)[NH2+]C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253498029 1061906696 /nfs/dbraw/zinc/90/66/96/1061906696.db2.gz VPQFDOVYVBUESX-LJQANCHMSA-N 1 0 321.892 4.051 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)cc1OC ZINC001474333085 1061921537 /nfs/dbraw/zinc/92/15/37/1061921537.db2.gz WBDFUGAXXGCCRD-CHWSQXEVSA-N 1 0 309.837 4.144 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1cnc[nH]1 ZINC001253563270 1061927358 /nfs/dbraw/zinc/92/73/58/1061927358.db2.gz JWRYTIPTHCDKRD-GOSISDBHSA-N 1 0 309.498 4.171 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]C1CC(CO)C1 ZINC001253565251 1061930285 /nfs/dbraw/zinc/93/02/85/1061930285.db2.gz KSLLYJUDJUQDOJ-CTWPCTMYSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]CCc1ncc[nH]1 ZINC001253565236 1061931075 /nfs/dbraw/zinc/93/10/75/1061931075.db2.gz KPXRWFYAADAOEQ-SFHVURJKSA-N 1 0 323.525 4.214 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]CCC1COC1 ZINC001253566013 1061932205 /nfs/dbraw/zinc/93/22/05/1061932205.db2.gz WAFGYVWBFJKPPJ-IBGZPJMESA-N 1 0 313.526 4.284 20 30 DIEDRO C#CC[N@@H+](Cc1cc(OC)c(OC)cc1Cl)C1CCCCC1 ZINC001474340127 1061935354 /nfs/dbraw/zinc/93/53/54/1061935354.db2.gz WYBJRPUTHSYJHN-UHFFFAOYSA-N 1 0 321.848 4.125 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001474356997 1061976056 /nfs/dbraw/zinc/97/60/56/1061976056.db2.gz CMIUCWHBWGSHFB-YZGWKJHDSA-N 1 0 312.457 4.148 20 30 DIEDRO C=C(C)C[N@H+](CC)C[C@H](O)C(c1ccccc1)c1ccccc1 ZINC001253926128 1062002367 /nfs/dbraw/zinc/00/23/67/1062002367.db2.gz RITYUGYGOPVIBE-FQEVSTJZSA-N 1 0 309.453 4.077 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)cc1OC ZINC001474369761 1062006886 /nfs/dbraw/zinc/00/68/86/1062006886.db2.gz LSMBPNAMWPFREU-KGLIPLIRSA-N 1 0 323.864 4.391 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC1(c2ccc3c(c2)OCO3)CC1 ZINC001474370389 1062009443 /nfs/dbraw/zinc/00/94/43/1062009443.db2.gz ZGKXSJQOKYOHNG-UHFFFAOYSA-N 1 0 301.430 4.125 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)cc1OC ZINC001474369762 1062010850 /nfs/dbraw/zinc/01/08/50/1062010850.db2.gz LSMBPNAMWPFREU-UONOGXRCSA-N 1 0 323.864 4.391 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC001254109877 1062025267 /nfs/dbraw/zinc/02/52/67/1062025267.db2.gz JTXCGBAGLLRWEI-HXUWFJFHSA-N 1 0 306.409 4.220 20 30 DIEDRO C=CC[N@H+](Cc1ccc2occc2c1)Cc1cccc(C#N)c1 ZINC001474382934 1062030571 /nfs/dbraw/zinc/03/05/71/1062030571.db2.gz SWYAMKVWHKHLGD-UHFFFAOYSA-N 1 0 302.377 4.493 20 30 DIEDRO C#CC[N@@H+](CCc1ccc(F)cc1F)[C@@H]1CCc2ccccc21 ZINC001474388287 1062037848 /nfs/dbraw/zinc/03/78/48/1062037848.db2.gz ZWDOWIBUOSMNSG-HXUWFJFHSA-N 1 0 311.375 4.130 20 30 DIEDRO COCc1c(C)cc(C)c(C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC001474401381 1062059607 /nfs/dbraw/zinc/05/96/07/1062059607.db2.gz LPXBNZDDLDHFOO-UHFFFAOYSA-N 1 0 322.452 4.262 20 30 DIEDRO CC#CCC[NH2+][C@@H](CC)CCc1ccc(Br)cc1 ZINC001474408416 1062070495 /nfs/dbraw/zinc/07/04/95/1062070495.db2.gz ROLJRIRTQJLFDX-INIZCTEOSA-N 1 0 308.263 4.163 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254309356 1062072197 /nfs/dbraw/zinc/07/21/97/1062072197.db2.gz DHXMINZKMFAHHD-MRXNPFEDSA-N 1 0 310.482 4.064 20 30 DIEDRO CC1(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)CCC1 ZINC001254344731 1062080547 /nfs/dbraw/zinc/08/05/47/1062080547.db2.gz DESKTGVMCVAWLO-UHFFFAOYSA-N 1 0 300.421 4.309 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CC[C@@H](F)C2)CC1 ZINC001254343052 1062080777 /nfs/dbraw/zinc/08/07/77/1062080777.db2.gz XWDYFXJEFGKSOO-ZLZJIPBDSA-N 1 0 304.384 4.010 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C2CCCCC2)CC1 ZINC001254342938 1062081446 /nfs/dbraw/zinc/08/14/46/1062081446.db2.gz WCHMKJHVGBJZNQ-UHFFFAOYSA-N 1 0 300.421 4.452 20 30 DIEDRO COc1ccccc1C[N@H+](Cc1c(C)cc(C#N)cc1C)C1CC1 ZINC001459314872 1062085829 /nfs/dbraw/zinc/08/58/29/1062085829.db2.gz TUXUISIGVATBPR-UHFFFAOYSA-N 1 0 320.436 4.348 20 30 DIEDRO C=C(C)C[N@@H+](CC)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359524 1062086592 /nfs/dbraw/zinc/08/65/92/1062086592.db2.gz YTZAYCJUOSQIOU-UHFFFAOYSA-N 1 0 300.421 4.428 20 30 DIEDRO C#CC[N@@H+](CCc1ccc(F)c(F)c1)[C@H]1CCc2ccccc21 ZINC001459342709 1062097932 /nfs/dbraw/zinc/09/79/32/1062097932.db2.gz FPKIDJZDJKRPJH-FQEVSTJZSA-N 1 0 311.375 4.130 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+](CC=C)C2CC2)cc1OC ZINC001474428199 1062101230 /nfs/dbraw/zinc/10/12/30/1062101230.db2.gz VUTYPWKTQCZEEP-UHFFFAOYSA-N 1 0 307.821 4.064 20 30 DIEDRO CC[N@H+](C[C@H](Cc1ccccc1)OC)[C@H](C)c1ccc(C#N)cc1 ZINC001459350027 1062103082 /nfs/dbraw/zinc/10/30/82/1062103082.db2.gz LIOCAIMDKODTQU-UTKZUKDTSA-N 1 0 322.452 4.199 20 30 DIEDRO Cc1cc(Br)cc2c1C[N@H+](C[C@@H](C)CCC#N)CC2 ZINC001474429001 1062104337 /nfs/dbraw/zinc/10/43/37/1062104337.db2.gz BCBLXZYYVNFUFC-LBPRGKRZSA-N 1 0 321.262 4.056 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1C#N ZINC001459355275 1062107760 /nfs/dbraw/zinc/10/77/60/1062107760.db2.gz PZBNZHHFGXHYOB-OAQYLSRUSA-N 1 0 320.436 4.048 20 30 DIEDRO CC[N@H+](Cc1ccc2ccccc2c1)Cc1cc(C#N)ccn1 ZINC001459351981 1062108290 /nfs/dbraw/zinc/10/82/90/1062108290.db2.gz YJMGNZMDWCZMMC-UHFFFAOYSA-N 1 0 301.393 4.129 20 30 DIEDRO CCC[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H](CC)c1ccccc1 ZINC001459365072 1062113398 /nfs/dbraw/zinc/11/33/98/1062113398.db2.gz BITYQJPOBOFHKN-OALUTQOASA-N 1 0 314.473 4.295 20 30 DIEDRO CCOc1ccc2c(c1)C[N@@H+](CCCCC1(C#N)CCC1)CC2 ZINC001459361615 1062114035 /nfs/dbraw/zinc/11/40/35/1062114035.db2.gz AXEAEILFTAFBGW-UHFFFAOYSA-N 1 0 312.457 4.308 20 30 DIEDRO C[C@@H](CC1CCCC1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001474436777 1062115742 /nfs/dbraw/zinc/11/57/42/1062115742.db2.gz NXOUJNSGCPQQAZ-HNNXBMFYSA-N 1 0 322.456 4.017 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+]C1CCc2ccccc2CC1 ZINC001254454779 1062116815 /nfs/dbraw/zinc/11/68/15/1062116815.db2.gz HJOPOWCCMNVZEA-OAQYLSRUSA-N 1 0 302.421 4.083 20 30 DIEDRO CCC1(C)CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC001459392108 1062122857 /nfs/dbraw/zinc/12/28/57/1062122857.db2.gz LNYULFGXNYDCGQ-UHFFFAOYSA-N 1 0 321.262 4.333 20 30 DIEDRO CO[C@H](C[N@H+](Cc1ccc(C#N)cc1)C(C)C)C1CCCCC1 ZINC001459398151 1062127115 /nfs/dbraw/zinc/12/71/15/1062127115.db2.gz YBADGANRVQFCAB-HXUWFJFHSA-N 1 0 314.473 4.364 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](C)c1ccc(OC)cc1 ZINC001459400938 1062128169 /nfs/dbraw/zinc/12/81/69/1062128169.db2.gz SIKZDGIFFYLRAU-KRWDZBQOSA-N 1 0 320.436 4.359 20 30 DIEDRO C#CC[N@@H+](Cc1csc(Br)c1)C1CCCCC1 ZINC001459394352 1062128564 /nfs/dbraw/zinc/12/85/64/1062128564.db2.gz VQKHNVNBQIFVHB-UHFFFAOYSA-N 1 0 312.276 4.279 20 30 DIEDRO C=C(C)c1cccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC001467478779 1062134206 /nfs/dbraw/zinc/13/42/06/1062134206.db2.gz ZXTXRQLHRHFIAF-INIZCTEOSA-N 1 0 315.461 4.106 20 30 DIEDRO C=C(C)c1cccc(NC(=O)NC[C@H](C(CC)CC)[NH+](C)C)c1 ZINC001467476342 1062135475 /nfs/dbraw/zinc/13/54/75/1062135475.db2.gz YMBSHUFYNXEAKQ-GOSISDBHSA-N 1 0 317.477 4.208 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC001459468610 1062155387 /nfs/dbraw/zinc/15/53/87/1062155387.db2.gz SYAVZWPWYGKHPI-NRFANRHFSA-N 1 0 320.436 4.121 20 30 DIEDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC001474482752 1062160936 /nfs/dbraw/zinc/16/09/36/1062160936.db2.gz HIYZRRXDSMXKPG-YJBOKZPZSA-N 1 0 308.400 4.384 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001459486255 1062164449 /nfs/dbraw/zinc/16/44/49/1062164449.db2.gz RPGYFCOFLGJPRR-QGZVFWFLSA-N 1 0 320.864 4.124 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC001254544593 1062171075 /nfs/dbraw/zinc/17/10/75/1062171075.db2.gz WZJOGTJQKULEBL-RDTXWAMCSA-N 1 0 323.396 4.138 20 30 DIEDRO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC001459523807 1062183088 /nfs/dbraw/zinc/18/30/88/1062183088.db2.gz FDXMTQBUBQMMAH-HUUCEWRRSA-N 1 0 320.864 4.295 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C)cc2)ccc1C#N ZINC001474502869 1062183495 /nfs/dbraw/zinc/18/34/95/1062183495.db2.gz NWZWFLLTVLOEKL-VQTJNVASSA-N 1 0 320.436 4.301 20 30 DIEDRO CC(C)c1ccc(O[C@H](C)C[NH2+][C@H](C)CC(C)(C)C#N)cc1 ZINC001474509727 1062190275 /nfs/dbraw/zinc/19/02/75/1062190275.db2.gz TYVJXSTYMXCGRF-HZPDHXFCSA-N 1 0 302.462 4.495 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001474509063 1062190487 /nfs/dbraw/zinc/19/04/87/1062190487.db2.gz KHEKLWXORJEJOX-DSKINZAPSA-N 1 0 320.411 4.465 20 30 DIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCOc2ccccc2C#N)cc1 ZINC001459539036 1062191116 /nfs/dbraw/zinc/19/11/16/1062191116.db2.gz GLILNRSOXURFHV-FQEVSTJZSA-N 1 0 320.436 4.473 20 30 DIEDRO CCC[N@H+](CCC(C)(C)C#N)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001459538845 1062191458 /nfs/dbraw/zinc/19/14/58/1062191458.db2.gz SRNZSDUBKJIXGV-SJORKVTESA-N 1 0 306.494 4.376 20 30 DIEDRO CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC001474509728 1062192496 /nfs/dbraw/zinc/19/24/96/1062192496.db2.gz TYVJXSTYMXCGRF-JKSUJKDBSA-N 1 0 302.462 4.495 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1ccncc1C#N ZINC001459550298 1062200392 /nfs/dbraw/zinc/20/03/92/1062200392.db2.gz MVSNIXWDBZKGRD-HXUWFJFHSA-N 1 0 307.441 4.105 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](C)c1ccc(C)cc1 ZINC001474517011 1062203344 /nfs/dbraw/zinc/20/33/44/1062203344.db2.gz NMUZTUUDICPWBZ-QGZVFWFLSA-N 1 0 313.441 4.262 20 30 DIEDRO C=CCC1(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C)C2)CCCC1 ZINC001474521477 1062205302 /nfs/dbraw/zinc/20/53/02/1062205302.db2.gz MLCOGDXEVOCGDX-BBWFWOEESA-N 1 0 307.478 4.080 20 30 DIEDRO C=CCC1(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C)C2)CCCC1 ZINC001474521479 1062205989 /nfs/dbraw/zinc/20/59/89/1062205989.db2.gz MLCOGDXEVOCGDX-GVDBMIGSSA-N 1 0 307.478 4.080 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@H](C)c1ccc(CC(C)C)cc1 ZINC001474523529 1062208009 /nfs/dbraw/zinc/20/80/09/1062208009.db2.gz ZNYWAFRZLFUQKD-SQGPQFPESA-N 1 0 303.490 4.294 20 30 DIEDRO CC(C[NH2+][C@H]1CC[C@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC001254634580 1062208845 /nfs/dbraw/zinc/20/88/45/1062208845.db2.gz AGZKANHQRGPSPI-PXNSSMCTSA-N 1 0 304.437 4.274 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C1 ZINC001254638418 1062210323 /nfs/dbraw/zinc/21/03/23/1062210323.db2.gz XXOYAVHVTOZSMH-QZTJIDSGSA-N 1 0 306.409 4.303 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCC2)C1 ZINC001254650024 1062212902 /nfs/dbraw/zinc/21/29/02/1062212902.db2.gz XAOYFRJNDAAVSR-GDBMZVCRSA-N 1 0 322.374 4.452 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC001254643791 1062213799 /nfs/dbraw/zinc/21/37/99/1062213799.db2.gz MZYCSOQYSUEEKR-XFJVYGCCSA-N 1 0 319.246 4.108 20 30 DIEDRO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254646698 1062214102 /nfs/dbraw/zinc/21/41/02/1062214102.db2.gz CFDXHSLSNCVCII-UKRRQHHQSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001254644370 1062214737 /nfs/dbraw/zinc/21/47/37/1062214737.db2.gz WZHKWVSSXZZDPC-ONGXEEELSA-N 1 0 302.727 4.141 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001254646918 1062214955 /nfs/dbraw/zinc/21/49/55/1062214955.db2.gz DCHIBBQNTJMGGD-ZBFHGGJFSA-N 1 0 322.374 4.310 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)cc2)C1 ZINC001254644705 1062215253 /nfs/dbraw/zinc/21/52/53/1062215253.db2.gz VFEHIWJNVBSEMN-PSRGHPOCSA-N 1 0 318.420 4.197 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001254643430 1062215320 /nfs/dbraw/zinc/21/53/20/1062215320.db2.gz NYZLIJSGLAFVPH-MWLCHTKSSA-N 1 0 302.727 4.141 20 30 DIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2cncc(C#N)c2)c1C ZINC001459567437 1062216280 /nfs/dbraw/zinc/21/62/80/1062216280.db2.gz VKAHNUKGWYHALP-FQEVSTJZSA-N 1 0 305.425 4.297 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3nc(-c4ccccc4)oc3c2)C1 ZINC001254655573 1062218729 /nfs/dbraw/zinc/21/87/29/1062218729.db2.gz DUFOAMUZNCJZMO-RHSMWYFYSA-N 1 0 317.392 4.277 20 30 DIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254658428 1062219848 /nfs/dbraw/zinc/21/98/48/1062219848.db2.gz WASPOAAPYBEYHS-UKRRQHHQSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(Cc3cnc4ccccc4c3)CC2)C1 ZINC001254674893 1062225394 /nfs/dbraw/zinc/22/53/94/1062225394.db2.gz AKWYMHMVFKMVDI-FXAWDEMLSA-N 1 0 319.452 4.182 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCSCC2)C1 ZINC001254676870 1062225836 /nfs/dbraw/zinc/22/58/36/1062225836.db2.gz OOMYGUNKROXYIV-AEFFLSMTSA-N 1 0 300.471 4.076 20 30 DIEDRO N#C[C@H]1CC[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC001254670805 1062226849 /nfs/dbraw/zinc/22/68/49/1062226849.db2.gz MOJBTLMCTMUCJS-LEWJYISDSA-N 1 0 304.437 4.424 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC001254677869 1062229550 /nfs/dbraw/zinc/22/95/50/1062229550.db2.gz XCWNLTXSMDCXAU-XPKDYRNWSA-N 1 0 324.346 4.414 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1C[C@@H](OCCCC)C1(C)C)c1ccc(F)cc1 ZINC001474543890 1062237023 /nfs/dbraw/zinc/23/70/23/1062237023.db2.gz HKYGCVWMXQBNKG-OKZBNKHCSA-N 1 0 303.421 4.073 20 30 DIEDRO C#C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC001474544898 1062240792 /nfs/dbraw/zinc/24/07/92/1062240792.db2.gz WOXZQDAZLANWIO-QGZVFWFLSA-N 1 0 305.755 4.125 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001474547891 1062241881 /nfs/dbraw/zinc/24/18/81/1062241881.db2.gz NVKWRKQZZGUBQX-HNNXBMFYSA-N 1 0 319.880 4.180 20 30 DIEDRO CC[C@H](C)C[N@H+](CC)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001459606156 1062244632 /nfs/dbraw/zinc/24/46/32/1062244632.db2.gz YWLUNDJYRRCZDB-AWEZNQCLSA-N 1 0 313.363 4.305 20 30 DIEDRO C=CC[N@@H+](C)C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254796261 1062250960 /nfs/dbraw/zinc/25/09/60/1062250960.db2.gz ADXYTTPPZCOUNM-UHFFFAOYSA-N 1 0 322.493 4.064 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001474555642 1062256748 /nfs/dbraw/zinc/25/67/48/1062256748.db2.gz ZVNXZDDUDBGQDX-VQTJNVASSA-N 1 0 314.473 4.223 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC001474568627 1062274577 /nfs/dbraw/zinc/27/45/77/1062274577.db2.gz JAUFNKOHCVUNCN-KRWDZBQOSA-N 1 0 316.489 4.304 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC001474568629 1062276865 /nfs/dbraw/zinc/27/68/65/1062276865.db2.gz JAUFNKOHCVUNCN-QGZVFWFLSA-N 1 0 316.489 4.304 20 30 DIEDRO CCC(CC)([NH2+]Cc1cc(C#N)ccn1)c1ccc(Cl)cc1 ZINC001459665304 1062283935 /nfs/dbraw/zinc/28/39/35/1062283935.db2.gz VNTGMHLYPSQGNT-UHFFFAOYSA-N 1 0 313.832 4.412 20 30 DIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(CCC(C)C)CC1 ZINC001459666842 1062289234 /nfs/dbraw/zinc/28/92/34/1062289234.db2.gz BQYLOYXBQWXCQL-UHFFFAOYSA-N 1 0 300.446 4.215 20 30 DIEDRO N#CCC[N@@H+](C1C[C@H]2CC(=O)C[C@@H]2C1)C1CCCCCCC1 ZINC001254950327 1062290128 /nfs/dbraw/zinc/29/01/28/1062290128.db2.gz FBIUTCITOWAPSG-HOTGVXAUSA-N 1 0 302.462 4.073 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCC2CC2)Cc2cccc(F)c2)cc1 ZINC001459673053 1062292682 /nfs/dbraw/zinc/29/26/82/1062292682.db2.gz CAKPFCAZVZOBIR-UHFFFAOYSA-N 1 0 308.400 4.500 20 30 DIEDRO CC(C)[N@H+](CCCOc1cccc(C#N)c1)C1CCCCC1 ZINC001459718450 1062333076 /nfs/dbraw/zinc/33/30/76/1062333076.db2.gz LAQWCIBHUPDJSN-UHFFFAOYSA-N 1 0 300.446 4.370 20 30 DIEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C#N ZINC001459723148 1062336081 /nfs/dbraw/zinc/33/60/81/1062336081.db2.gz QAEVCEZUSUMEIP-SFHVURJKSA-N 1 0 300.446 4.228 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001474614674 1062336795 /nfs/dbraw/zinc/33/67/95/1062336795.db2.gz YVQUSBRFWZLLGQ-WFASDCNBSA-N 1 0 304.409 4.346 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001474619033 1062337371 /nfs/dbraw/zinc/33/73/71/1062337371.db2.gz LNJKKXFCLYFAHH-UVQBRAAOSA-N 1 0 300.402 4.286 20 30 DIEDRO CC[C@@H](CC#N)[NH+]1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001255172923 1062350463 /nfs/dbraw/zinc/35/04/63/1062350463.db2.gz HDBIPRNZSGTAQF-AWEZNQCLSA-N 1 0 308.828 4.426 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CC1(Cc2cccnc2)CCC(F)(F)CC1 ZINC001255162590 1062351003 /nfs/dbraw/zinc/35/10/03/1062351003.db2.gz UDQIPMFYVWXOLD-MRXNPFEDSA-N 1 0 321.415 4.102 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1cc(Br)ccc1C ZINC001474630662 1062352468 /nfs/dbraw/zinc/35/24/68/1062352468.db2.gz PRCZWIRRJVSCTF-UHFFFAOYSA-N 1 0 308.263 4.431 20 30 DIEDRO CCCCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255185473 1062353215 /nfs/dbraw/zinc/35/32/15/1062353215.db2.gz NHDHOMYOYBXPKL-BJWYYQGGSA-N 1 0 310.482 4.088 20 30 DIEDRO CC[C@H](CC#N)[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001255177443 1062354409 /nfs/dbraw/zinc/35/44/09/1062354409.db2.gz RYYDSNGFLYMWDM-HZPDHXFCSA-N 1 0 321.262 4.148 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C1(CC)CC ZINC001459746438 1062359539 /nfs/dbraw/zinc/35/95/39/1062359539.db2.gz KPTGOKGBLACYOJ-MOPGFXCFSA-N 1 0 314.473 4.282 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(Br)c(C)s2)C1 ZINC001474647806 1062375433 /nfs/dbraw/zinc/37/54/33/1062375433.db2.gz UWSQUVZTCMLETP-NSHDSACASA-N 1 0 300.265 4.217 20 30 DIEDRO N#Cc1ccc(CC[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC001459765076 1062377190 /nfs/dbraw/zinc/37/71/90/1062377190.db2.gz WVRRJHNFVXQIEM-UHFFFAOYSA-N 1 0 320.411 4.419 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(C2(C)OCCO2)cc1 ZINC001474663237 1062395118 /nfs/dbraw/zinc/39/51/18/1062395118.db2.gz KLGBINXZBJBGKF-GOSISDBHSA-N 1 0 303.446 4.131 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001474674645 1062405306 /nfs/dbraw/zinc/40/53/06/1062405306.db2.gz JAKFOGDKUOTFML-NHCUHLMSSA-N 1 0 304.437 4.226 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC001459824049 1062428203 /nfs/dbraw/zinc/42/82/03/1062428203.db2.gz GBJCAHPWGGMTHS-NXEZZACHSA-N 1 0 302.752 4.284 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](OC(C)C)c1ccccc1 ZINC001459838378 1062438075 /nfs/dbraw/zinc/43/80/75/1062438075.db2.gz UBUXDHBSHYTTQE-FQEVSTJZSA-N 1 0 313.441 4.476 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC001459867647 1062459534 /nfs/dbraw/zinc/45/95/34/1062459534.db2.gz XBWLSKSYDJDDGN-YCRPNKLZSA-N 1 0 316.404 4.096 20 30 DIEDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC001459872852 1062462192 /nfs/dbraw/zinc/46/21/92/1062462192.db2.gz HZBHFCPFMBBEPY-IRXDYDNUSA-N 1 0 322.452 4.438 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(C)c(F)c1 ZINC001459877706 1062466976 /nfs/dbraw/zinc/46/69/76/1062466976.db2.gz OYHOCFGIPYKYST-QGZVFWFLSA-N 1 0 300.352 4.386 20 30 DIEDRO COC[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001255581736 1062485882 /nfs/dbraw/zinc/48/58/82/1062485882.db2.gz NJQBRZDKFFPMGE-DLBZAZTESA-N 1 0 308.425 4.156 20 30 DIEDRO N#CCC[N@H+](C1CCC2(CC1)OCCO2)C1CCCCCCC1 ZINC001255625810 1062488638 /nfs/dbraw/zinc/48/86/38/1062488638.db2.gz RPDCNUVMWGEFKH-UHFFFAOYSA-N 1 0 320.477 4.001 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C(F)(F)F)cc1F ZINC001255636105 1062492890 /nfs/dbraw/zinc/49/28/90/1062492890.db2.gz KXZOKIMUSMTFFA-ZETCQYMHSA-N 1 0 303.221 4.275 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC001459929590 1062500662 /nfs/dbraw/zinc/50/06/62/1062500662.db2.gz FBBQGPIBEOITOK-ZFWWWQNUSA-N 1 0 310.363 4.338 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001255706024 1062530731 /nfs/dbraw/zinc/53/07/31/1062530731.db2.gz NZZHNIBNXAELFH-HZPDHXFCSA-N 1 0 308.347 4.037 20 30 DIEDRO FC[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1C(F)(F)F ZINC001255705273 1062530798 /nfs/dbraw/zinc/53/07/98/1062530798.db2.gz JASYATRZNZPXFS-LMLFDSFASA-N 1 0 321.280 4.187 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001255728772 1062549031 /nfs/dbraw/zinc/54/90/31/1062549031.db2.gz ZHRWSWBPAUZVTO-AWEZNQCLSA-N 1 0 314.429 4.010 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC001255729476 1062550011 /nfs/dbraw/zinc/55/00/11/1062550011.db2.gz IYVQXTBDFWPAHK-LLVKDONJSA-N 1 0 306.431 4.029 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[N@H+](CCC#N)C1CCCC1 ZINC001255745318 1062569031 /nfs/dbraw/zinc/56/90/31/1062569031.db2.gz SSODVZYNDVTFOV-CQSZACIVSA-N 1 0 306.450 4.465 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@H](O)c2ccc(Cl)cc2)CCCC1(C)C ZINC001460027901 1062583563 /nfs/dbraw/zinc/58/35/63/1062583563.db2.gz HZFPRTHTPGHHLA-DLBZAZTESA-N 1 0 307.865 4.440 20 30 DIEDRO Cc1ccc(C[C@@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)cc1 ZINC001255778979 1062599512 /nfs/dbraw/zinc/59/95/12/1062599512.db2.gz CMXNCWPIOLLUBM-MRXNPFEDSA-N 1 0 317.436 4.126 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001460067463 1062612371 /nfs/dbraw/zinc/61/23/71/1062612371.db2.gz CMZWLNINLWEJMH-LEWJYISDSA-N 1 0 305.421 4.042 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1F ZINC001460066280 1062612415 /nfs/dbraw/zinc/61/24/15/1062612415.db2.gz CAEMCLFMDIGEJK-SBHAEUEKSA-N 1 0 320.411 4.465 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1F ZINC001460066281 1062613011 /nfs/dbraw/zinc/61/30/11/1062613011.db2.gz CAEMCLFMDIGEJK-SFHLNBCPSA-N 1 0 320.411 4.465 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C1(C)C ZINC001460071345 1062614943 /nfs/dbraw/zinc/61/49/43/1062614943.db2.gz AITDFHHKTNUFGN-RTBURBONSA-N 1 0 314.473 4.249 20 30 DIEDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC001460077320 1062617726 /nfs/dbraw/zinc/61/77/26/1062617726.db2.gz APIMSCQSXYCJBY-SJORKVTESA-N 1 0 302.487 4.252 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1(C)C ZINC001460081406 1062621600 /nfs/dbraw/zinc/62/16/00/1062621600.db2.gz YFSZRIWDNSOCDG-ZWKOTPCHSA-N 1 0 319.876 4.265 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ncco2)cc1F)c1ccc(C#N)cc1 ZINC001460089997 1062628506 /nfs/dbraw/zinc/62/85/06/1062628506.db2.gz NXNFHWNKJNPYIP-ZDUSSCGKSA-N 1 0 321.355 4.203 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001255863866 1062641759 /nfs/dbraw/zinc/64/17/59/1062641759.db2.gz RPCIOXVRGOBLJY-CYBMUJFWSA-N 1 0 322.383 4.021 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001255866540 1062645294 /nfs/dbraw/zinc/64/52/94/1062645294.db2.gz RWYTVRJMERMDSP-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001460135151 1062653713 /nfs/dbraw/zinc/65/37/13/1062653713.db2.gz MPGAQDNXBQVXLN-HXUWFJFHSA-N 1 0 320.436 4.207 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC001460132962 1062655673 /nfs/dbraw/zinc/65/56/73/1062655673.db2.gz SPECMYGAQPYRBM-NRFANRHFSA-N 1 0 322.452 4.169 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1Cc2cccc(C)c2CC1(C)C ZINC001460144672 1062660862 /nfs/dbraw/zinc/66/08/62/1062660862.db2.gz XTBPGIFKKPAOQJ-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO C=CCC[N@H+]1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001460146722 1062664011 /nfs/dbraw/zinc/66/40/11/1062664011.db2.gz VNBLFIVRPWQALC-NRFANRHFSA-N 1 0 314.517 4.228 20 30 DIEDRO CCCCCCCC[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001460148655 1062667280 /nfs/dbraw/zinc/66/72/80/1062667280.db2.gz PNQGVXAVGNBXHJ-IRXDYDNUSA-N 1 0 310.526 4.314 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC001460161408 1062671906 /nfs/dbraw/zinc/67/19/06/1062671906.db2.gz LJKQAEIZFZEXHX-GUXCAODWSA-N 1 0 320.436 4.333 20 30 DIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCC1CCCCCC1 ZINC001460183214 1062685042 /nfs/dbraw/zinc/68/50/42/1062685042.db2.gz DHUMAACMNQMANE-UHFFFAOYSA-N 1 0 314.473 4.367 20 30 DIEDRO COc1cc2c(cc1Cl)C[N@H+](CC1CCC(C#N)CC1)CC2 ZINC001460182518 1062685948 /nfs/dbraw/zinc/68/59/48/1062685948.db2.gz RMFWZIUXPFMDJQ-UHFFFAOYSA-N 1 0 318.848 4.037 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccc(C)c(C#N)c3)C2)c1 ZINC001460231527 1062715523 /nfs/dbraw/zinc/71/55/23/1062715523.db2.gz YQDFKVWBPUVGCO-KESTWPANSA-N 1 0 320.436 4.253 20 30 DIEDRO COc1cccc(C[C@H](C)[NH2+][C@@H](c2cccc(C#N)c2)C(C)C)c1 ZINC001256151031 1062729990 /nfs/dbraw/zinc/72/99/90/1062729990.db2.gz LQFLDBSEFCDSDC-HRAATJIYSA-N 1 0 322.452 4.485 20 30 DIEDRO C[N@H+](CCOc1ccccc1C#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001460268542 1062745969 /nfs/dbraw/zinc/74/59/69/1062745969.db2.gz ZYNJYXZRLFIYBQ-DLBZAZTESA-N 1 0 300.446 4.084 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001256189905 1062747454 /nfs/dbraw/zinc/74/74/54/1062747454.db2.gz JFLKKMASFORYIT-ZIAGYGMSSA-N 1 0 321.262 4.006 20 30 DIEDRO CCCC[N@H+](CCC#N)[C@@H](C)Cc1cccc(Br)c1 ZINC001256188253 1062747602 /nfs/dbraw/zinc/74/76/02/1062747602.db2.gz PPXOISOLBMKDLX-AWEZNQCLSA-N 1 0 323.278 4.396 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1c(F)cccc1F ZINC001460276986 1062750907 /nfs/dbraw/zinc/75/09/07/1062750907.db2.gz HGRYBGRSOSARKV-ZDUSSCGKSA-N 1 0 300.352 4.072 20 30 DIEDRO C=CC[N@H+](C1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001256297380 1062763465 /nfs/dbraw/zinc/76/34/65/1062763465.db2.gz LRULVQILRFMLIF-UHFFFAOYSA-N 1 0 322.493 4.207 20 30 DIEDRO C#Cc1cccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC001256303684 1062771663 /nfs/dbraw/zinc/77/16/63/1062771663.db2.gz VRYFSSVVOIANDA-UHFFFAOYSA-N 1 0 324.855 4.080 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCc3ccc(F)c(F)c3)CCC2)cc1 ZINC001460311572 1062774690 /nfs/dbraw/zinc/77/46/90/1062774690.db2.gz VJIFUCVUSGAWBQ-UHFFFAOYSA-N 1 0 312.363 4.048 20 30 DIEDRO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC001460366048 1062813812 /nfs/dbraw/zinc/81/38/12/1062813812.db2.gz XJXNLYDBIFIUDM-MRXNPFEDSA-N 1 0 308.425 4.066 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC001460366128 1062814944 /nfs/dbraw/zinc/81/49/44/1062814944.db2.gz XWYKIUFNRJEXTJ-LLVKDONJSA-N 1 0 304.381 4.258 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001460410315 1062839055 /nfs/dbraw/zinc/83/90/55/1062839055.db2.gz NYAASFHNDGRPCO-QAPCUYQASA-N 1 0 323.440 4.074 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)OC)c1Cl ZINC001460411594 1062839668 /nfs/dbraw/zinc/83/96/68/1062839668.db2.gz RGZANNHEFIXRGZ-CJNGLKHVSA-N 1 0 321.848 4.351 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(OC)c2ccccc12 ZINC001460408190 1062841955 /nfs/dbraw/zinc/84/19/55/1062841955.db2.gz HUCTXXSENJIGFV-HNAYVOBHSA-N 1 0 310.441 4.468 20 30 DIEDRO CC(C)([NH2+]Cc1cc(Cl)ccc1F)c1cccc(C#N)c1 ZINC001460416909 1062845798 /nfs/dbraw/zinc/84/57/98/1062845798.db2.gz JLTVZSCVBXPVLP-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529557 1062856590 /nfs/dbraw/zinc/85/65/90/1062856590.db2.gz VHSMRZOHSFQKNN-QFBILLFUSA-N 1 0 312.432 4.326 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]CCCCCCS)CCN1Cc1ccccc1 ZINC001256538664 1062859054 /nfs/dbraw/zinc/85/90/54/1062859054.db2.gz UOYRYQNPKINLGE-HKUYNNGSSA-N 1 0 320.546 4.119 20 30 DIEDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC001460445318 1062861560 /nfs/dbraw/zinc/86/15/60/1062861560.db2.gz RQFWKJJFYQCLSL-ZIAGYGMSSA-N 1 0 306.837 4.253 20 30 DIEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001460483098 1062871754 /nfs/dbraw/zinc/87/17/54/1062871754.db2.gz RDHHORQTJHLTNF-XJKSGUPXSA-N 1 0 306.837 4.395 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560700 1062885584 /nfs/dbraw/zinc/88/55/84/1062885584.db2.gz SODYIGXSDYNBGN-PKOBYXMFSA-N 1 0 300.490 4.326 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256561577 1062885674 /nfs/dbraw/zinc/88/56/74/1062885674.db2.gz YUCPIHFYVIGMIR-AZUAARDMSA-N 1 0 300.490 4.328 20 30 DIEDRO CCCCCCC[N@H+](CC)C1CCN(Cc2ccncc2)CC1 ZINC001256590937 1062905637 /nfs/dbraw/zinc/90/56/37/1062905637.db2.gz OMRLVXZKNGKJKG-UHFFFAOYSA-N 1 0 317.521 4.338 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(C)c(C(=O)OC)c2)CCCCC1 ZINC001460629061 1062951064 /nfs/dbraw/zinc/95/10/64/1062951064.db2.gz AHNNSWSJJSUNQU-UHFFFAOYSA-N 1 0 301.430 4.150 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1O ZINC001460641019 1062958965 /nfs/dbraw/zinc/95/89/65/1062958965.db2.gz WSJHLWUHBJBCMN-LLVKDONJSA-N 1 0 320.314 4.133 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)CC1 ZINC001460650300 1062961127 /nfs/dbraw/zinc/96/11/27/1062961127.db2.gz FCIDJINEWAHFLU-TVPLGVNVSA-N 1 0 300.421 4.277 20 30 DIEDRO C[N@H+](CCCc1ccccc1Cl)CCc1cccc(C#N)c1 ZINC001460661125 1062969773 /nfs/dbraw/zinc/96/97/73/1062969773.db2.gz CFLSZGVIYYCMBH-UHFFFAOYSA-N 1 0 312.844 4.319 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1ccc(Cl)cc1F ZINC001460661124 1062969832 /nfs/dbraw/zinc/96/98/32/1062969832.db2.gz CDPDDKMRPKVONI-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3CCO[C@H](c4ccccc4)C3)(CC1)CC2 ZINC001256800898 1062988362 /nfs/dbraw/zinc/98/83/62/1062988362.db2.gz RTYXUUXASAKZNO-ZMTPEHOPSA-N 1 0 310.441 4.113 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256806833 1062996223 /nfs/dbraw/zinc/99/62/23/1062996223.db2.gz JZKNBJRDWBOBSC-LEWJYISDSA-N 1 0 320.436 4.323 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCSC[C@H]2c2ccccc2)cc1 ZINC001460701560 1062998615 /nfs/dbraw/zinc/99/86/15/1062998615.db2.gz AYNGOUZPAFUNPM-IBGZPJMESA-N 1 0 308.450 4.238 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nnc(CCC2CCCCC2)o1 ZINC001256829805 1063005626 /nfs/dbraw/zinc/00/56/26/1063005626.db2.gz YLGONXAVELJRNS-UHFFFAOYSA-N 1 0 303.450 4.082 20 30 DIEDRO C#CC(CC)(CC)[NH2+][C@H](C)Cc1ccccc1Br ZINC001256825513 1063007363 /nfs/dbraw/zinc/00/73/63/1063007363.db2.gz SGYZCDUHLPEWMU-CYBMUJFWSA-N 1 0 308.263 4.162 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCC(CC)CC1)C2 ZINC001256871265 1063025855 /nfs/dbraw/zinc/02/58/55/1063025855.db2.gz LLADZCRILNKQHF-GHBBCFCZSA-N 1 0 321.505 4.029 20 30 DIEDRO C[N@H+](CCCSCC#N)C1(Cc2ccccc2)CCCC1 ZINC001460734819 1063029074 /nfs/dbraw/zinc/02/90/74/1063029074.db2.gz CJLQIWZWPMVMII-UHFFFAOYSA-N 1 0 302.487 4.121 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)[C@H]1c1ccccc1 ZINC001460758037 1063044496 /nfs/dbraw/zinc/04/44/96/1063044496.db2.gz RTUYLHNYLKLSHC-OXQOHEQNSA-N 1 0 306.409 4.020 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC001256957976 1063058072 /nfs/dbraw/zinc/05/80/72/1063058072.db2.gz PNBFMMPZARFJCK-UHFFFAOYSA-N 1 0 320.436 4.438 20 30 DIEDRO N#CC1CCC([NH2+]C2(c3ccc(Br)cc3)CC2)CC1 ZINC001256958353 1063058834 /nfs/dbraw/zinc/05/88/34/1063058834.db2.gz ADMXUXRWXNSMRA-UHFFFAOYSA-N 1 0 319.246 4.110 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Br)s1 ZINC001256953422 1063058974 /nfs/dbraw/zinc/05/89/74/1063058974.db2.gz ISQFOZQPUCFCLJ-KPPDAEKUSA-N 1 0 313.264 4.244 20 30 DIEDRO N#CC1CCC([NH2+]C/C(=C/F)CCc2ccc(F)cc2)CC1 ZINC001256958366 1063059339 /nfs/dbraw/zinc/05/93/39/1063059339.db2.gz BCBFNKUMZPUFTI-LFIBNONCSA-N 1 0 304.384 4.284 20 30 DIEDRO N#CC1CCC(n2cc(C3CC[NH2+]CC3)c3ccccc32)CC1 ZINC001256968703 1063061195 /nfs/dbraw/zinc/06/11/95/1063061195.db2.gz KUIOAHSJNORRLZ-UHFFFAOYSA-N 1 0 307.441 4.363 20 30 DIEDRO N#CC1CCC(n2c3ccc(Cl)cc3c3c2CC[NH2+]C3)CC1 ZINC001256968586 1063061583 /nfs/dbraw/zinc/06/15/83/1063061583.db2.gz IHOAXZPVGXDEMF-UHFFFAOYSA-N 1 0 313.832 4.195 20 30 DIEDRO N#CC1CCC([N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001256967073 1063062228 /nfs/dbraw/zinc/06/22/28/1063062228.db2.gz UGRHJCDVGMKOTC-OPWVIFHQSA-N 1 0 324.468 4.107 20 30 DIEDRO N#CC1CCC([N@@H+]2CCc3c(cccc3C(F)(F)F)C2)CC1 ZINC001256972870 1063064193 /nfs/dbraw/zinc/06/41/93/1063064193.db2.gz IJTKUFUZVBYQNH-UHFFFAOYSA-N 1 0 308.347 4.146 20 30 DIEDRO C[C@H]1C[N@@H+](C2CCC(C#N)CC2)CCc2ccc(Cl)cc21 ZINC001256973333 1063064669 /nfs/dbraw/zinc/06/46/69/1063064669.db2.gz PCGNPGYCUYUNIH-CBCUQQMYSA-N 1 0 302.849 4.384 20 30 DIEDRO N#CC1CCC([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001256972342 1063064890 /nfs/dbraw/zinc/06/48/90/1063064890.db2.gz WIQNICWECUBMOW-PGEKIEPBSA-N 1 0 304.434 4.074 20 30 DIEDRO C=C(C)c1cccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001472268148 1063065693 /nfs/dbraw/zinc/06/56/93/1063065693.db2.gz YRBYWXKNVDRNQQ-IBGZPJMESA-N 1 0 308.425 4.351 20 30 DIEDRO N#CC1CCC(n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)CC1 ZINC001256970014 1063066815 /nfs/dbraw/zinc/06/68/15/1063066815.db2.gz SABAMNROHXJKEX-DQPZFDDXSA-N 1 0 308.429 4.106 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCCc3ccccn3)CC2)cc1 ZINC001257011121 1063076704 /nfs/dbraw/zinc/07/67/04/1063076704.db2.gz UYJZSZVZROIBIK-UHFFFAOYSA-N 1 0 319.452 4.202 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3CCc4cccnc43)CC2)cc1 ZINC001257011090 1063077124 /nfs/dbraw/zinc/07/71/24/1063077124.db2.gz TUMRBQRWFGPWFD-UUKMXZOPSA-N 1 0 317.436 4.257 20 30 DIEDRO CO[C@H]1CC[C@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257010931 1063077225 /nfs/dbraw/zinc/07/72/25/1063077225.db2.gz NFTJAIYWSQMSOI-FOUKWCRFSA-N 1 0 312.457 4.132 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3CC[C@@H](C#N)CC3)CC2)cc1 ZINC001257011700 1063077386 /nfs/dbraw/zinc/07/73/86/1063077386.db2.gz YRVQYJFZFLMMQE-KDDVVGDTSA-N 1 0 307.441 4.256 20 30 DIEDRO C[C@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1ccccn1 ZINC001257009693 1063078044 /nfs/dbraw/zinc/07/80/44/1063078044.db2.gz OMNQZFGUHJPCSE-MNNVXMFVSA-N 1 0 305.425 4.330 20 30 DIEDRO CC(C)(C)OCCC[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013194 1063079781 /nfs/dbraw/zinc/07/97/81/1063079781.db2.gz AHWSPJUPIPVCFU-UHFFFAOYSA-N 1 0 314.473 4.379 20 30 DIEDRO C[C@]1(F)CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016434 1063080114 /nfs/dbraw/zinc/08/01/14/1063080114.db2.gz DGKPEIBNDHTRGV-ACBHZAAOSA-N 1 0 300.421 4.408 20 30 DIEDRO N#Cc1cc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cs1 ZINC001257013891 1063080865 /nfs/dbraw/zinc/08/08/65/1063080865.db2.gz LMKTTWKYMLHXBX-UHFFFAOYSA-N 1 0 321.449 4.307 20 30 DIEDRO C[C@]1(F)CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1F ZINC001257017678 1063080931 /nfs/dbraw/zinc/08/09/31/1063080931.db2.gz YHHSBSJGFRTXRQ-BTRQGYIVSA-N 1 0 318.411 4.356 20 30 DIEDRO CO[C@H]1CCC[C@@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257015258 1063081431 /nfs/dbraw/zinc/08/14/31/1063081431.db2.gz HHYNAXAXDMKFAY-TUNPWDSISA-N 1 0 312.457 4.132 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CC3CCSCC3)CC2)cc1 ZINC001257013269 1063081452 /nfs/dbraw/zinc/08/14/52/1063081452.db2.gz CPJPCRBQOFBSSM-UHFFFAOYSA-N 1 0 314.498 4.317 20 30 DIEDRO CCCc1cc(C[NH3+])nn1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257014444 1063081581 /nfs/dbraw/zinc/08/15/81/1063081581.db2.gz PDHQIQKFYDUGAC-UHFFFAOYSA-N 1 0 322.456 4.065 20 30 DIEDRO C[N@H+](C1CC(F)(F)C1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257017242 1063081666 /nfs/dbraw/zinc/08/16/66/1063081666.db2.gz SIEUOQXMFUARTJ-UHFFFAOYSA-N 1 0 304.384 4.314 20 30 DIEDRO CCC1([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CCOCC1 ZINC001257014656 1063082317 /nfs/dbraw/zinc/08/23/17/1063082317.db2.gz VHAMDTAGWURJDP-UHFFFAOYSA-N 1 0 312.457 4.133 20 30 DIEDRO COC[C@H]1CCCC[N@@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016822 1063082367 /nfs/dbraw/zinc/08/23/67/1063082367.db2.gz JPANIVGYTSABAI-SOAGJPPSSA-N 1 0 312.457 4.085 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCCC[C@@H](F)C3)CC2)cc1 ZINC001257016426 1063082519 /nfs/dbraw/zinc/08/25/19/1063082519.db2.gz DAQQOJOWZZBAHD-JLAWEPINSA-N 1 0 300.421 4.408 20 30 DIEDRO CC1(C)C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCCO1 ZINC001257020445 1063085126 /nfs/dbraw/zinc/08/51/26/1063085126.db2.gz DWXGRMPUIMEAAT-UHFFFAOYSA-N 1 0 312.457 4.085 20 30 DIEDRO CO[C@@H]1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC001257021844 1063086356 /nfs/dbraw/zinc/08/63/56/1063086356.db2.gz CPCYPEWMDZMBGD-BTWUCOSQSA-N 1 0 312.457 4.084 20 30 DIEDRO C#CC[N@H+](CCCc1ccncc1)[C@H]1CCCc2ccccc21 ZINC001460840075 1063094928 /nfs/dbraw/zinc/09/49/28/1063094928.db2.gz YKWIVUADJPLOQY-NRFANRHFSA-N 1 0 304.437 4.027 20 30 DIEDRO CCOC(=O)[C@H]1CC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001257064729 1063096014 /nfs/dbraw/zinc/09/60/14/1063096014.db2.gz XAJDATQWTJZQOC-FUHWJXTLSA-N 1 0 320.477 4.047 20 30 DIEDRO CCOC(=O)[C@H]1CC[C@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001257064731 1063099639 /nfs/dbraw/zinc/09/96/39/1063099639.db2.gz XAJDATQWTJZQOC-WMZOPIPTSA-N 1 0 320.477 4.047 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001460874565 1063111921 /nfs/dbraw/zinc/11/19/21/1063111921.db2.gz QNLHEGRUGKBPDH-ZZLBYYGFSA-N 1 0 318.420 4.245 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1cc(F)ccc1C#N)c1ccccc1 ZINC001472635110 1063113263 /nfs/dbraw/zinc/11/32/63/1063113263.db2.gz PLNNLRWFNOBSTH-LJQANCHMSA-N 1 0 311.404 4.192 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001257142860 1063120873 /nfs/dbraw/zinc/12/08/73/1063120873.db2.gz NWKATZAZVJEMHB-DLBZAZTESA-N 1 0 324.509 4.453 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001257142862 1063121632 /nfs/dbraw/zinc/12/16/32/1063121632.db2.gz NWKATZAZVJEMHB-IRXDYDNUSA-N 1 0 324.509 4.453 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001460897408 1063122419 /nfs/dbraw/zinc/12/24/19/1063122419.db2.gz CTWSREWXZUKVQZ-HNNXBMFYSA-N 1 0 322.880 4.148 20 30 DIEDRO CCC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001460896321 1063123543 /nfs/dbraw/zinc/12/35/43/1063123543.db2.gz AXJHIDRXNPVEEZ-AWEZNQCLSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1coc(-c2c(F)cccc2F)n1 ZINC001460898259 1063124101 /nfs/dbraw/zinc/12/41/01/1063124101.db2.gz FIODXCOKANAEPN-UHFFFAOYSA-N 1 0 306.356 4.408 20 30 DIEDRO C=CC[C@H]1CC[N@H+]1Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC001460911995 1063131491 /nfs/dbraw/zinc/13/14/91/1063131491.db2.gz XDLBTOIWQHRHPD-KRWDZBQOSA-N 1 0 313.832 4.256 20 30 DIEDRO C=CCCC[C@@H](C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001478296775 1063134176 /nfs/dbraw/zinc/13/41/76/1063134176.db2.gz UZCNTQQZVGAURN-QGZVFWFLSA-N 1 0 323.525 4.075 20 30 DIEDRO C#C[C@H]1CCCC[N@H+]1CCCCCn1c(C)nc2ccccc21 ZINC001460915180 1063134309 /nfs/dbraw/zinc/13/43/09/1063134309.db2.gz GLZYPVRUNNPYPB-SFHVURJKSA-N 1 0 309.457 4.003 20 30 DIEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H](CC)CCC)C2)CC1 ZINC001257256510 1063161480 /nfs/dbraw/zinc/16/14/80/1063161480.db2.gz IGSBONJYMAEOJL-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H](CC)CCC)C2)CC1 ZINC001257256508 1063161789 /nfs/dbraw/zinc/16/17/89/1063161789.db2.gz IGSBONJYMAEOJL-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC001460999968 1063174880 /nfs/dbraw/zinc/17/48/80/1063174880.db2.gz QLMVOXUSTYWUAJ-UHFFFAOYSA-N 1 0 312.844 4.473 20 30 DIEDRO N#CCCn1cc(C[NH2+]C2CCCCCC2)c(-c2ccccc2)n1 ZINC001461009319 1063185956 /nfs/dbraw/zinc/18/59/56/1063185956.db2.gz IWNSOSWPKQIJQW-UHFFFAOYSA-N 1 0 322.456 4.276 20 30 DIEDRO CN(CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC001461015315 1063188145 /nfs/dbraw/zinc/18/81/45/1063188145.db2.gz VJCPVXXRUAMLRW-UHFFFAOYSA-N 1 0 321.468 4.104 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC001461037495 1063206687 /nfs/dbraw/zinc/20/66/87/1063206687.db2.gz TZTOBHWEDZCOCQ-GBESFXJTSA-N 1 0 306.538 4.489 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC001472762869 1063216106 /nfs/dbraw/zinc/21/61/06/1063216106.db2.gz NXYAVTRILWKHBY-UHFFFAOYSA-N 1 0 317.452 4.462 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H](C)CCCCCC)C2 ZINC001257365642 1063229658 /nfs/dbraw/zinc/22/96/58/1063229658.db2.gz NOFFNKJDZHTDKN-QUCCMNQESA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCOc1ccc(CNc2cc(C)nc(C3CCC3)n2)cc1 ZINC001472780492 1063230552 /nfs/dbraw/zinc/23/05/52/1063230552.db2.gz IASRYUFXQIQELR-UHFFFAOYSA-N 1 0 309.413 4.229 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H](C)CCCCCC)C2 ZINC001257365641 1063233462 /nfs/dbraw/zinc/23/34/62/1063233462.db2.gz NOFFNKJDZHTDKN-ICSRJNTNSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H](C)CCCCCC)C2 ZINC001257365639 1063234938 /nfs/dbraw/zinc/23/49/38/1063234938.db2.gz NOFFNKJDZHTDKN-AZUAARDMSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(C)s2)cc(OC)c1O ZINC001461106928 1063256946 /nfs/dbraw/zinc/25/69/46/1063256946.db2.gz RLRBCEBXYGVSTH-CYBMUJFWSA-N 1 0 317.454 4.350 20 30 DIEDRO CCCC[C@@H](CC)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001257410092 1063259307 /nfs/dbraw/zinc/25/93/07/1063259307.db2.gz QHDVICDWYAOULW-LJQANCHMSA-N 1 0 313.489 4.081 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC001461108631 1063259944 /nfs/dbraw/zinc/25/99/44/1063259944.db2.gz AOVDUNUJGIKSKT-UHFFFAOYSA-N 1 0 320.864 4.479 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC001461160550 1063300359 /nfs/dbraw/zinc/30/03/59/1063300359.db2.gz KQTOXVCYYIUSTO-UHFFFAOYSA-N 1 0 317.436 4.379 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001461167771 1063305860 /nfs/dbraw/zinc/30/58/60/1063305860.db2.gz KLHLWGKXORGDIK-IXDOHACOSA-N 1 0 322.493 4.110 20 30 DIEDRO Cc1cc(C[NH2+]CCc2ccc(OCC(C)C)cc2)ccc1C#N ZINC001461173187 1063307672 /nfs/dbraw/zinc/30/76/72/1063307672.db2.gz KQMBSZSASWBCDA-UHFFFAOYSA-N 1 0 322.452 4.234 20 30 DIEDRO CCCC1CCC(C[NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC001461178187 1063312496 /nfs/dbraw/zinc/31/24/96/1063312496.db2.gz SQENKVWFQZVDIQ-UHFFFAOYSA-N 1 0 300.446 4.285 20 30 DIEDRO CCCCC[C@H](C)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001257514081 1063321986 /nfs/dbraw/zinc/32/19/86/1063321986.db2.gz AXLVWPXJELJPIN-INIZCTEOSA-N 1 0 300.446 4.370 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001257549806 1063328904 /nfs/dbraw/zinc/32/89/04/1063328904.db2.gz DKXNCOHXARJVOZ-QGZVFWFLSA-N 1 0 324.509 4.480 20 30 DIEDRO CCCCCCCCCC[C@H](C)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001257549859 1063329230 /nfs/dbraw/zinc/32/92/30/1063329230.db2.gz FSTQVFDWYDKOHT-HNNXBMFYSA-N 1 0 307.486 4.337 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)=O)C1 ZINC001257549695 1063329755 /nfs/dbraw/zinc/32/97/55/1063329755.db2.gz CFIJBRRYLHIGLF-MJGOQNOKSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001257549805 1063329986 /nfs/dbraw/zinc/32/99/86/1063329986.db2.gz DKXNCOHXARJVOZ-KRWDZBQOSA-N 1 0 324.509 4.480 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001257564334 1063338424 /nfs/dbraw/zinc/33/84/24/1063338424.db2.gz KYFAOANSLYJDJD-ZFWWWQNUSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH+]1CCC(CC#N)CC1 ZINC001257564886 1063340352 /nfs/dbraw/zinc/34/03/52/1063340352.db2.gz OQQHISPZJBFBDM-ZDUSSCGKSA-N 1 0 321.262 4.006 20 30 DIEDRO CCCCCCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001479016509 1063355421 /nfs/dbraw/zinc/35/54/21/1063355421.db2.gz ZONMVSUCZAFKTD-GOSISDBHSA-N 1 0 323.525 4.053 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)C1 ZINC001461265300 1063374591 /nfs/dbraw/zinc/37/45/91/1063374591.db2.gz NVWBPMHQAQALGL-JLSDUUJJSA-N 1 0 306.881 4.277 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(OCc3ccccc3)CC2)cc1 ZINC001257818564 1063392796 /nfs/dbraw/zinc/39/27/96/1063392796.db2.gz HWPFALSOHCBQBB-UHFFFAOYSA-N 1 0 320.436 4.176 20 30 DIEDRO C#Cc1cccc(C[NH2+]C2CCC(OCc3ccccc3)CC2)c1 ZINC001257825300 1063397268 /nfs/dbraw/zinc/39/72/68/1063397268.db2.gz XBXAGDCXZUFZHT-UHFFFAOYSA-N 1 0 319.448 4.286 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)Cc1csc2ccccc12 ZINC001473103715 1063401645 /nfs/dbraw/zinc/40/16/45/1063401645.db2.gz LMYNPPWTBZCTSM-UHFFFAOYSA-N 1 0 306.434 4.447 20 30 DIEDRO C#CCC[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC001473111005 1063412648 /nfs/dbraw/zinc/41/26/48/1063412648.db2.gz ACTGHLSZWGDCOX-UHFFFAOYSA-N 1 0 309.375 4.373 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CC(C)(C)OC1(C)C ZINC001473118588 1063421571 /nfs/dbraw/zinc/42/15/71/1063421571.db2.gz MWUUEZLISWUHKE-INIZCTEOSA-N 1 0 305.437 4.407 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CCc3ccc(C(F)(F)F)cn3)C[C@H](C1)C2 ZINC001257887918 1063424907 /nfs/dbraw/zinc/42/49/07/1063424907.db2.gz OXHQVEVQLBOPBM-VMZNBEPHSA-N 1 0 324.390 4.367 20 30 DIEDRO C=C1C[C@@H]2CC(NC(=[NH2+])c3ccc4ccccc4n3)C[C@H](C1)C2 ZINC001257888083 1063425138 /nfs/dbraw/zinc/42/51/38/1063425138.db2.gz WMRFRQIOLKUROY-FKEKPDDDSA-N 1 0 305.425 4.075 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccc(O)c(OCC)c3)C[C@H](C1)C2 ZINC001257888035 1063425817 /nfs/dbraw/zinc/42/58/17/1063425817.db2.gz UICSXQMATYUMNK-SJPCQFCGSA-N 1 0 301.430 4.015 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](c3ccc(OC)cn3)C3CC3)C[C@H](C1)C2 ZINC001257890634 1063429092 /nfs/dbraw/zinc/42/90/92/1063429092.db2.gz RWVFRJXWXCBYSY-GYYSHVHKSA-N 1 0 312.457 4.266 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](c3ccc(F)cn3)C3CC3)C[C@H](C1)C2 ZINC001257890417 1063429157 /nfs/dbraw/zinc/42/91/57/1063429157.db2.gz KVDJSJAOHJLUAK-CMBJXJQSSA-N 1 0 300.421 4.396 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001473132167 1063439759 /nfs/dbraw/zinc/43/97/59/1063439759.db2.gz UTZKJNCCXIAPIA-UXHICEINSA-N 1 0 306.384 4.241 20 30 DIEDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001473158224 1063463081 /nfs/dbraw/zinc/46/30/81/1063463081.db2.gz HWUMCPGJIUZMJP-OAHLLOKOSA-N 1 0 308.878 4.319 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CCNC(=O)Nc1ccccc1 ZINC001258039630 1063472215 /nfs/dbraw/zinc/47/22/15/1063472215.db2.gz VABAICREKCHKFQ-INIZCTEOSA-N 1 0 305.466 4.147 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(CC(=O)C(C)(C)C)CC1 ZINC001258041175 1063472964 /nfs/dbraw/zinc/47/29/64/1063472964.db2.gz OGKIWAHRDRLENN-KRWDZBQOSA-N 1 0 324.553 4.405 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccccc1N1CCOCC1 ZINC001258042124 1063474382 /nfs/dbraw/zinc/47/43/82/1063474382.db2.gz HKDBNXHVARDZMW-GOSISDBHSA-N 1 0 318.505 4.362 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](CC(=O)OC)c1ccc(O)cc1 ZINC001258041481 1063474465 /nfs/dbraw/zinc/47/44/65/1063474465.db2.gz UMHQYGMQEWKYLC-CRAIPNDOSA-N 1 0 321.461 4.335 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1CCN(c2cnccn2)CC1 ZINC001258041647 1063474883 /nfs/dbraw/zinc/47/48/83/1063474883.db2.gz YETOOSXCRMDSAK-QGZVFWFLSA-N 1 0 318.509 4.032 20 30 DIEDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1(C)C ZINC001461405301 1063477262 /nfs/dbraw/zinc/47/72/62/1063477262.db2.gz BPZLOMLVVJIWMP-ROUUACIJSA-N 1 0 314.473 4.169 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001258044367 1063477977 /nfs/dbraw/zinc/47/79/77/1063477977.db2.gz MLZFSWLNEXVCCC-NEWSRXKRSA-N 1 0 320.521 4.211 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001258045097 1063479180 /nfs/dbraw/zinc/47/91/80/1063479180.db2.gz WJNYUNVHZGUJHQ-IRXDYDNUSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@@H](C)n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001258050507 1063481304 /nfs/dbraw/zinc/48/13/04/1063481304.db2.gz WIDGFEACDRZPJD-GFCCVEGCSA-N 1 0 317.399 4.469 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCc2cnc(SC)nc2C1 ZINC001258049186 1063481399 /nfs/dbraw/zinc/48/13/99/1063481399.db2.gz AZIMTVIDCBCYQA-CQSZACIVSA-N 1 0 307.507 4.306 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC001258047535 1063481807 /nfs/dbraw/zinc/48/18/07/1063481807.db2.gz LSMZPTQYFVRFFX-UZLBHIALSA-N 1 0 314.473 4.331 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CCN(CC)C2=O)CC1 ZINC001258049305 1063482468 /nfs/dbraw/zinc/48/24/68/1063482468.db2.gz DPLBWCKDJFBECO-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCCCCCC[C@H](C)n1cc(C[NH3+])cnc1=N ZINC001258050993 1063483110 /nfs/dbraw/zinc/48/31/10/1063483110.db2.gz ANDVUNLMAGUZLN-INIZCTEOSA-N 1 0 306.498 4.303 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473179377 1063484300 /nfs/dbraw/zinc/48/43/00/1063484300.db2.gz DYWOAOBGLKJAPW-MAUKXSAKSA-N 1 0 308.400 4.384 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001258052265 1063484787 /nfs/dbraw/zinc/48/47/87/1063484787.db2.gz NNMFQONOFLNJCP-MSOLQXFVSA-N 1 0 310.526 4.412 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473179378 1063484779 /nfs/dbraw/zinc/48/47/79/1063484779.db2.gz DYWOAOBGLKJAPW-QAPCUYQASA-N 1 0 308.400 4.384 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]CCCc1c[nH][nH]c1=O ZINC001258053266 1063485337 /nfs/dbraw/zinc/48/53/37/1063485337.db2.gz XWQMZKZHGBWLHC-QZTJIDSGSA-N 1 0 323.525 4.397 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)[O-] ZINC001258053121 1063485479 /nfs/dbraw/zinc/48/54/79/1063485479.db2.gz WIMWLEGFOSSILS-IRXDYDNUSA-N 1 0 314.514 4.078 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473179379 1063485677 /nfs/dbraw/zinc/48/56/77/1063485677.db2.gz DYWOAOBGLKJAPW-YJBOKZPZSA-N 1 0 308.400 4.384 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cnc(Br)c(C)c1 ZINC001473181172 1063488064 /nfs/dbraw/zinc/48/80/64/1063488064.db2.gz SDBPKXUUENUUHZ-UHFFFAOYSA-N 1 0 311.267 4.331 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001473186553 1063494064 /nfs/dbraw/zinc/49/40/64/1063494064.db2.gz MESKTIJWTFXSDY-PMACEKPBSA-N 1 0 305.425 4.030 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC001473188238 1063496061 /nfs/dbraw/zinc/49/60/61/1063496061.db2.gz WWGQBLTZRYGKLA-APWZRJJASA-N 1 0 324.424 4.393 20 30 DIEDRO CC(C)(C[NH2+]Cc1csc(C#N)c1)c1cccc(Cl)c1F ZINC001461455954 1063517686 /nfs/dbraw/zinc/51/76/86/1063517686.db2.gz HBYZJOUREXAFMY-UHFFFAOYSA-N 1 0 322.836 4.480 20 30 DIEDRO C[C@@H]1CC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC001258160661 1063537419 /nfs/dbraw/zinc/53/74/19/1063537419.db2.gz NXHGHIGGIZECAM-RYUDHWBXSA-N 1 0 310.363 4.491 20 30 DIEDRO C=CCC1(C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)CCCC1 ZINC001461500446 1063542228 /nfs/dbraw/zinc/54/22/28/1063542228.db2.gz MKYKLPQLRNJIQG-UHFFFAOYSA-N 1 0 303.494 4.481 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001461508545 1063543624 /nfs/dbraw/zinc/54/36/24/1063543624.db2.gz VYZOYBYCSNLSGD-KRWDZBQOSA-N 1 0 313.466 4.255 20 30 DIEDRO C=C(C)CC[NH2+]Cc1ccc(Br)cc1SC ZINC001461515342 1063549331 /nfs/dbraw/zinc/54/93/31/1063549331.db2.gz XDJRXNGSYIZFAB-UHFFFAOYSA-N 1 0 300.265 4.227 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001461537027 1063566129 /nfs/dbraw/zinc/56/61/29/1063566129.db2.gz DLGUTYVEGNJILS-LJQANCHMSA-N 1 0 304.437 4.385 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001258228805 1063568095 /nfs/dbraw/zinc/56/80/95/1063568095.db2.gz KBIKTARYDCJCAW-QZTJIDSGSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCCCC[C@H](C)N1CC[NH+](C2CCOCC2)CC1 ZINC001258228428 1063568680 /nfs/dbraw/zinc/56/86/80/1063568680.db2.gz GZEXRXPODPZYDK-IBGZPJMESA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001258230022 1063569898 /nfs/dbraw/zinc/56/98/98/1063569898.db2.gz XHITXYUQLWFTMK-QGZVFWFLSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]CC1CCN(C(C)=O)CC1 ZINC001258231011 1063572333 /nfs/dbraw/zinc/57/23/33/1063572333.db2.gz FXQXWLGAROGSJS-KRWDZBQOSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001258232600 1063572440 /nfs/dbraw/zinc/57/24/40/1063572440.db2.gz XJAMUYVOSMEIHR-INIZCTEOSA-N 1 0 310.482 4.090 20 30 DIEDRO CC1(C)CCC[C@H](NCC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001258274954 1063581821 /nfs/dbraw/zinc/58/18/21/1063581821.db2.gz WDXUPRDSKKDEHZ-QMMMGPOBSA-N 1 0 309.269 4.378 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001461570639 1063587296 /nfs/dbraw/zinc/58/72/96/1063587296.db2.gz JMMHZNZURCIGOR-OAHLLOKOSA-N 1 0 305.343 4.381 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H]1CCCC(C)(C)C1)CCO2 ZINC001258291828 1063590367 /nfs/dbraw/zinc/59/03/67/1063590367.db2.gz PUHUQSWJGASHOF-CMKODMSKSA-N 1 0 321.505 4.029 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC001461583481 1063592380 /nfs/dbraw/zinc/59/23/80/1063592380.db2.gz UITDGWLZCRQSAU-AZUAARDMSA-N 1 0 312.457 4.285 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c1 ZINC001461583492 1063592465 /nfs/dbraw/zinc/59/24/65/1063592465.db2.gz UITDGWLZCRQSAU-UYAOXDASSA-N 1 0 312.457 4.285 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(C)c3ccccc23)cc1C#N ZINC001461583584 1063593346 /nfs/dbraw/zinc/59/33/46/1063593346.db2.gz QAGOLYLLQPDSPT-UHFFFAOYSA-N 1 0 316.404 4.318 20 30 DIEDRO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]Cc1cc(C#N)co1 ZINC001258304256 1063599688 /nfs/dbraw/zinc/59/96/88/1063599688.db2.gz AQRGMGFFHOYANE-ZDUSSCGKSA-N 1 0 318.442 4.324 20 30 DIEDRO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]Cc1ccc(C#N)o1 ZINC001258307924 1063603541 /nfs/dbraw/zinc/60/35/41/1063603541.db2.gz WMXJKWHEZITXRP-CYBMUJFWSA-N 1 0 318.442 4.324 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C1 ZINC001461596638 1063604093 /nfs/dbraw/zinc/60/40/93/1063604093.db2.gz VCCNUHFGXIIWPJ-PMPSAXMXSA-N 1 0 303.471 4.264 20 30 DIEDRO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001258315083 1063605609 /nfs/dbraw/zinc/60/56/09/1063605609.db2.gz ATHOHZGCBDRKFC-PBHICJAKSA-N 1 0 306.475 4.306 20 30 DIEDRO CSC(C)(C)C[C@H](C)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001258328943 1063612949 /nfs/dbraw/zinc/61/29/49/1063612949.db2.gz DHIVTPKVHWYHIE-LBPRGKRZSA-N 1 0 316.470 4.171 20 30 DIEDRO CC[N@H+](CCCNCc1ccc(C#N)c(C)c1)C1CCCCC1 ZINC001461614680 1063613360 /nfs/dbraw/zinc/61/33/60/1063613360.db2.gz DWEMBNWIKWBYBK-UHFFFAOYSA-N 1 0 313.489 4.001 20 30 DIEDRO CSC(C)(C)C[C@@H](C)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001258333819 1063614728 /nfs/dbraw/zinc/61/47/28/1063614728.db2.gz BCMXRDGLJNKJLR-MRXNPFEDSA-N 1 0 316.514 4.464 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1ccnc2ccccc12 ZINC001461618746 1063616565 /nfs/dbraw/zinc/61/65/65/1063616565.db2.gz MMBUDDBWEJGSCU-UHFFFAOYSA-N 1 0 315.420 4.056 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cc3ccccc3n(C)c2=O)CCCC1 ZINC001461635329 1063628744 /nfs/dbraw/zinc/62/87/44/1063628744.db2.gz VNHNKDORLKDVSV-UHFFFAOYSA-N 1 0 324.468 4.155 20 30 DIEDRO C=CCOCC[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001461654356 1063638295 /nfs/dbraw/zinc/63/82/95/1063638295.db2.gz RJLUCODETDJVJO-UHFFFAOYSA-N 1 0 301.817 4.299 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H](CC)CCCCC)C2 ZINC001258439378 1063653422 /nfs/dbraw/zinc/65/34/22/1063653422.db2.gz JCIPOGDIHAZNKA-QUCCMNQESA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](C)[C@]23C[C@H]2CCCC3)cc(OC)c1O ZINC001461680686 1063654819 /nfs/dbraw/zinc/65/48/19/1063654819.db2.gz AWJBJKFKDUMRMQ-ZTQAJYAQSA-N 1 0 315.457 4.188 20 30 DIEDRO CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]CC(C)(C)CCC#N ZINC001461681443 1063655270 /nfs/dbraw/zinc/65/52/70/1063655270.db2.gz NBPNKUGJKCXTDJ-KRWDZBQOSA-N 1 0 311.473 4.419 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1C ZINC001461703646 1063668262 /nfs/dbraw/zinc/66/82/62/1063668262.db2.gz LWGCFCIBTTVVJT-ZDUIWUOISA-N 1 0 316.448 4.254 20 30 DIEDRO CC(C)([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC001258504380 1063675542 /nfs/dbraw/zinc/67/55/42/1063675542.db2.gz HFWCMWGEIMSYIO-UHFFFAOYSA-N 1 0 319.452 4.052 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cc(C)c3ncccc3c2)cc1C#N ZINC001461742711 1063690807 /nfs/dbraw/zinc/69/08/07/1063690807.db2.gz NTKLAYMNAYCCIN-UHFFFAOYSA-N 1 0 301.393 4.013 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc1 ZINC001461771015 1063706912 /nfs/dbraw/zinc/70/69/12/1063706912.db2.gz UIJONKFQJOHUKF-YLJYHZDGSA-N 1 0 318.505 4.218 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C2CCC=CCC2)ccc1OC ZINC001461779335 1063712532 /nfs/dbraw/zinc/71/25/32/1063712532.db2.gz RASYJKZFSCDFTP-UHFFFAOYSA-N 1 0 301.430 4.239 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1cc(C#N)co1 ZINC001258675733 1063744796 /nfs/dbraw/zinc/74/47/96/1063744796.db2.gz CROPWNGLUOPLGN-JTQLQIEISA-N 1 0 309.196 4.179 20 30 DIEDRO CCCC[C@H](Cc1ccccc1)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001258706956 1063764051 /nfs/dbraw/zinc/76/40/51/1063764051.db2.gz YXIYGXUZLJGGKU-LJQANCHMSA-N 1 0 305.425 4.065 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]CC(=O)NCC(F)(F)F ZINC001258714694 1063770349 /nfs/dbraw/zinc/77/03/49/1063770349.db2.gz UIJSMNPWTUZFQW-CQSZACIVSA-N 1 0 324.431 4.030 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC001461878974 1063770364 /nfs/dbraw/zinc/77/03/64/1063770364.db2.gz BWBGDMGUCDOVKB-MSOLQXFVSA-N 1 0 318.436 4.113 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CCCN(C(C)=O)C1 ZINC001258716251 1063772351 /nfs/dbraw/zinc/77/23/51/1063772351.db2.gz WCWPBMAPLCKRPV-MOPGFXCFSA-N 1 0 310.526 4.362 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001258716665 1063772433 /nfs/dbraw/zinc/77/24/33/1063772433.db2.gz CZFRHMDUKKPNAY-APWZRJJASA-N 1 0 324.509 4.358 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCC(C)(C(N)=O)CC1 ZINC001258714986 1063772469 /nfs/dbraw/zinc/77/24/69/1063772469.db2.gz ZPWMHUUILRCBOM-QGZVFWFLSA-N 1 0 310.526 4.349 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CCN(C(=O)CC)C1 ZINC001258715497 1063773245 /nfs/dbraw/zinc/77/32/45/1063773245.db2.gz GYKHKZQLMYUSDV-MSOLQXFVSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]C1CCN(C(C)=O)CC1 ZINC001258715836 1063773276 /nfs/dbraw/zinc/77/32/76/1063773276.db2.gz MBUMWWFMNONKIH-IBGZPJMESA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@H](O)c1ccccn1 ZINC001258716105 1063773420 /nfs/dbraw/zinc/77/34/20/1063773420.db2.gz SBHOFAVVVZMWTI-MJGOQNOKSA-N 1 0 306.494 4.480 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001461884197 1063774210 /nfs/dbraw/zinc/77/42/10/1063774210.db2.gz ROWCKNRUNHWFQZ-FCHUYYIVSA-N 1 0 316.448 4.447 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1NC(=O)OC(C)(C)C ZINC001258717879 1063774277 /nfs/dbraw/zinc/77/42/77/1063774277.db2.gz XGCYDQLRLUVKTQ-CQSZACIVSA-N 1 0 304.434 4.478 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC001258719733 1063774955 /nfs/dbraw/zinc/77/49/55/1063774955.db2.gz KFFZOXYJUMRQEI-HNNXBMFYSA-N 1 0 306.881 4.249 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2cccc(F)c2C)CC1 ZINC001258723157 1063776931 /nfs/dbraw/zinc/77/69/31/1063776931.db2.gz SIAKBHWKRNEJTC-HNNXBMFYSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001258723515 1063776946 /nfs/dbraw/zinc/77/69/46/1063776946.db2.gz WZYMPCYLRQAQRJ-CQSZACIVSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC001258722512 1063776953 /nfs/dbraw/zinc/77/69/53/1063776953.db2.gz JHVCZZUGLJWKHW-CQSZACIVSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC1(Cc2ccccc2F)CCOCC1 ZINC001258723178 1063776976 /nfs/dbraw/zinc/77/69/76/1063776976.db2.gz SQPBNFPOYDTWAP-MRXNPFEDSA-N 1 0 305.437 4.109 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258723442 1063777334 /nfs/dbraw/zinc/77/73/34/1063777334.db2.gz VCCWOKIYCYJQBW-HNNXBMFYSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001258720802 1063777468 /nfs/dbraw/zinc/77/74/68/1063777468.db2.gz GEKZRIPIAKVQRA-ZBFHGGJFSA-N 1 0 316.445 4.427 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001258725904 1063778043 /nfs/dbraw/zinc/77/80/43/1063778043.db2.gz BXPXXXWQUVNADN-GUDXXQAFSA-N 1 0 318.486 4.137 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726928 1063778107 /nfs/dbraw/zinc/77/81/07/1063778107.db2.gz YWVZSRMZLAWVCM-LPHOPBHVSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1(Cc2ccccc2Cl)CCOCC1 ZINC001258724244 1063778223 /nfs/dbraw/zinc/77/82/23/1063778223.db2.gz RIKRZIAKNMFWDM-HNNXBMFYSA-N 1 0 307.865 4.376 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726929 1063778302 /nfs/dbraw/zinc/77/83/02/1063778302.db2.gz YWVZSRMZLAWVCM-QFBILLFUSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCOc2cc(Br)ccc21 ZINC001258726197 1063778414 /nfs/dbraw/zinc/77/84/14/1063778414.db2.gz RIQQGPVEEFAQRA-BXUZGUMPSA-N 1 0 310.235 4.217 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001258724500 1063778923 /nfs/dbraw/zinc/77/89/23/1063778923.db2.gz YDDJRQJVSOYMNJ-IXDOHACOSA-N 1 0 324.509 4.262 20 30 DIEDRO CC(C)(C)C[N@H+](CCC#N)Cc1cc2c(cccc2O)s1 ZINC001461893453 1063779479 /nfs/dbraw/zinc/77/94/79/1063779479.db2.gz BXHHKURGUNZMTI-UHFFFAOYSA-N 1 0 302.443 4.369 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](c1nc2ccccc2n1C)c1cccnc1 ZINC001258725270 1063779568 /nfs/dbraw/zinc/77/95/68/1063779568.db2.gz INBQFSCSJUIURL-HNAYVOBHSA-N 1 0 320.440 4.002 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC001258732635 1063782362 /nfs/dbraw/zinc/78/23/62/1063782362.db2.gz OKBAYPREHUXUFD-IAGOWNOFSA-N 1 0 302.462 4.389 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2F)CC1 ZINC001258735076 1063783798 /nfs/dbraw/zinc/78/37/98/1063783798.db2.gz ODBXIMYOGVSLRW-ZDUSSCGKSA-N 1 0 307.384 4.214 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(C(=O)c2ccc(OCC)cc2)CC1 ZINC001258734534 1063783850 /nfs/dbraw/zinc/78/38/50/1063783850.db2.gz FDKRVVRDXMAXSY-INIZCTEOSA-N 1 0 315.457 4.335 20 30 DIEDRO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001258734433 1063784494 /nfs/dbraw/zinc/78/44/94/1063784494.db2.gz XUBZZPBCSUREGM-HRCADAONSA-N 1 0 310.482 4.109 20 30 DIEDRO C=CCC[C@H](C)[N@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001258733989 1063784657 /nfs/dbraw/zinc/78/46/57/1063784657.db2.gz PWTSROLHLPZABZ-JYJNAYRXSA-N 1 0 310.482 4.109 20 30 DIEDRO C#CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCCCC1 ZINC001461903617 1063789063 /nfs/dbraw/zinc/78/90/63/1063789063.db2.gz VDLWILQKCJPXPT-UHFFFAOYSA-N 1 0 313.441 4.100 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)cs1 ZINC001461908763 1063792407 /nfs/dbraw/zinc/79/24/07/1063792407.db2.gz CDNNAHZBLMYTNZ-UHFFFAOYSA-N 1 0 314.429 4.214 20 30 DIEDRO C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001258745935 1063795551 /nfs/dbraw/zinc/79/55/51/1063795551.db2.gz YXRCFMZEJPUTQW-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO CC(C)[N@H+](CC#Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC001461921781 1063804083 /nfs/dbraw/zinc/80/40/83/1063804083.db2.gz UDUYBRWNYBEMIV-UHFFFAOYSA-N 1 0 306.453 4.015 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](CCC)CCCC)C2 ZINC001258763636 1063809045 /nfs/dbraw/zinc/80/90/45/1063809045.db2.gz VAULHJVPWVGBOY-FHWLQOOXSA-N 1 0 309.494 4.171 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](CCC)CCCC)C2 ZINC001258763635 1063810321 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CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1OC)c1cccc(C#N)c1 ZINC001258884638 1063870868 /nfs/dbraw/zinc/87/08/68/1063870868.db2.gz XGKZSQLUTMFRTQ-HNAYVOBHSA-N 1 0 308.425 4.239 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cnc(-c2c(F)cccc2F)s1 ZINC001462015890 1063877527 /nfs/dbraw/zinc/87/75/27/1063877527.db2.gz BHLUWPIOKSWFHG-UHFFFAOYSA-N 1 0 308.397 4.486 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)cc1 ZINC001261276765 1063919554 /nfs/dbraw/zinc/91/95/54/1063919554.db2.gz SDBGVRULYNBIAR-YJBOKZPZSA-N 1 0 321.420 4.051 20 30 DIEDRO CC(C)CCC[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001462085534 1063921191 /nfs/dbraw/zinc/92/11/91/1063921191.db2.gz OIJBLMDUUJKYIO-MRXNPFEDSA-N 1 0 324.472 4.263 20 30 DIEDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001462089079 1063922810 /nfs/dbraw/zinc/92/28/10/1063922810.db2.gz XIISSVNAANCVHV-UYAOXDASSA-N 1 0 322.456 4.017 20 30 DIEDRO C[C@H](C[NH2+]CC#Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001462106517 1063932558 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C=CC[N@@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)CC1CCCCC1 ZINC001307469889 1065420109 /nfs/dbraw/zinc/42/01/09/1065420109.db2.gz HIYKEYVAUHNSEP-CABCVRRESA-N 1 0 305.384 4.165 20 30 DIEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001307483579 1065427411 /nfs/dbraw/zinc/42/74/11/1065427411.db2.gz RVGXPEUSLHJBQP-OALUTQOASA-N 1 0 300.446 4.168 20 30 DIEDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCOc2ccccc2C#N)o1 ZINC001307488125 1065431534 /nfs/dbraw/zinc/43/15/34/1065431534.db2.gz RBZWSROHWYPQQZ-SFHVURJKSA-N 1 0 324.424 4.456 20 30 DIEDRO C=CCCCC[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC001307566132 1065485728 /nfs/dbraw/zinc/48/57/28/1065485728.db2.gz JLHQFZDQAMBLKD-UHFFFAOYSA-N 1 0 308.853 4.347 20 30 DIEDRO N#Cc1cncc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)c1 ZINC001307579653 1065494292 /nfs/dbraw/zinc/49/42/92/1065494292.db2.gz PHKDZXVEFGRZGF-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCc3c(F)cc(F)cc3C2)CCC1 ZINC001307599147 1065506573 /nfs/dbraw/zinc/50/65/73/1065506573.db2.gz GEIXBQVGYSLDGI-UHFFFAOYSA-N 1 0 304.384 4.187 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC001307614819 1065518745 /nfs/dbraw/zinc/51/87/45/1065518745.db2.gz MXKFIGRYTIWVFY-FQEVSTJZSA-N 1 0 313.441 4.082 20 30 DIEDRO C=CCCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001307615594 1065519312 /nfs/dbraw/zinc/51/93/12/1065519312.db2.gz KJFUTABLNNKBQT-INIZCTEOSA-N 1 0 310.482 4.016 20 30 DIEDRO N#CCC1(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC001307621411 1065521525 /nfs/dbraw/zinc/52/15/25/1065521525.db2.gz IMDIRTFAGQJLPM-GOSISDBHSA-N 1 0 324.399 4.229 20 30 DIEDRO CC([NH2+]Cc1cncc(C#N)c1)(c1ccccc1)c1ccccc1 ZINC001307630314 1065529410 /nfs/dbraw/zinc/52/94/10/1065529410.db2.gz YBIKVVMYUIVCOY-UHFFFAOYSA-N 1 0 313.404 4.007 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC001307637425 1065534281 /nfs/dbraw/zinc/53/42/81/1065534281.db2.gz ZAALPAIGXSZTJO-FQEVSTJZSA-N 1 0 320.436 4.458 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001307674990 1065555146 /nfs/dbraw/zinc/55/51/46/1065555146.db2.gz NNHAISIUOGPPJN-QYWGDWMGSA-N 1 0 320.436 4.301 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001307674989 1065556074 /nfs/dbraw/zinc/55/60/74/1065556074.db2.gz NNHAISIUOGPPJN-MRUHUIDDSA-N 1 0 320.436 4.301 20 30 DIEDRO C/C(=C/c1ccccc1)C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC001307679938 1065559152 /nfs/dbraw/zinc/55/91/52/1065559152.db2.gz PAXQCQRDSSKLHW-JXAWBTAJSA-N 1 0 320.436 4.362 20 30 DIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCCC3(CCCCC3)CC2)c1 ZINC001307685650 1065562319 /nfs/dbraw/zinc/56/23/19/1065562319.db2.gz HAYVVWPSWSBOGY-LJQANCHMSA-N 1 0 312.457 4.028 20 30 DIEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001307691525 1065565603 /nfs/dbraw/zinc/56/56/03/1065565603.db2.gz SUMMMLFZTYVTDL-RHSMWYFYSA-N 1 0 315.417 4.161 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[Si](C)(C)c2ccccc2)CCCC1(C)C ZINC001307728994 1065592116 /nfs/dbraw/zinc/59/21/16/1065592116.db2.gz IVFUHKMNUPGAFL-SFHVURJKSA-N 1 0 301.550 4.208 20 30 DIEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001307741950 1065599719 /nfs/dbraw/zinc/59/97/19/1065599719.db2.gz NAMDEBZNGLQSCB-WMZOPIPTSA-N 1 0 312.457 4.228 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cc(C#N)ccc1Br ZINC001307752199 1065605670 /nfs/dbraw/zinc/60/56/70/1065605670.db2.gz MYGYTGIBDQMPKX-VXGBXAGGSA-N 1 0 321.262 4.235 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCc3ccccc3CC2)c(Cl)c1 ZINC001307772789 1065613103 /nfs/dbraw/zinc/61/31/03/1065613103.db2.gz IGYWFDYLCLIWOJ-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001307824872 1065639812 /nfs/dbraw/zinc/63/98/12/1065639812.db2.gz AUUOARTZPRQVBS-MLGOLLRUSA-N 1 0 321.262 4.379 20 30 DIEDRO CC(C)(C)C[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1(C)C ZINC001307835440 1065646852 /nfs/dbraw/zinc/64/68/52/1065646852.db2.gz OHVDCMSCMNNSGZ-QGZVFWFLSA-N 1 0 314.473 4.474 20 30 DIEDRO COc1cc(Cl)ccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC001307860715 1065657893 /nfs/dbraw/zinc/65/78/93/1065657893.db2.gz QRHIMHDFAIDZDR-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC001307909382 1065678854 /nfs/dbraw/zinc/67/88/54/1065678854.db2.gz JFJRWSJQAZJLGH-FGTMMUONSA-N 1 0 309.494 4.401 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(C2CCC2)CC1 ZINC001307912877 1065680734 /nfs/dbraw/zinc/68/07/34/1065680734.db2.gz CXMMUNNJXUSFDP-UHFFFAOYSA-N 1 0 318.848 4.254 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001307923179 1065683930 /nfs/dbraw/zinc/68/39/30/1065683930.db2.gz FOBJFNQLNKYBLY-DOMZBBRYSA-N 1 0 308.809 4.473 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC001307926751 1065684508 /nfs/dbraw/zinc/68/45/08/1065684508.db2.gz YCWSJIBBVAMCGP-QAPCUYQASA-N 1 0 318.436 4.187 20 30 DIEDRO C=CC[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C(C)(C)C ZINC001307938233 1065691275 /nfs/dbraw/zinc/69/12/75/1065691275.db2.gz JHZYRSDIWKTNAH-UHFFFAOYSA-N 1 0 302.462 4.209 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001307967300 1065701853 /nfs/dbraw/zinc/70/18/53/1065701853.db2.gz NNBXSVIMFRGLFU-UHFFFAOYSA-N 1 0 309.457 4.018 20 30 DIEDRO CN(c1ccccc1)[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001307969238 1065705493 /nfs/dbraw/zinc/70/54/93/1065705493.db2.gz PSGQROIAAQSDLI-LJQANCHMSA-N 1 0 311.473 4.061 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001308014201 1065726599 /nfs/dbraw/zinc/72/65/99/1065726599.db2.gz FARNOZQKBJNZFA-HXUWFJFHSA-N 1 0 308.400 4.328 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1cccc2ccccc21 ZINC001308017958 1065726727 /nfs/dbraw/zinc/72/67/27/1065726727.db2.gz YRXPSTKQCOWNBR-UHFFFAOYSA-N 1 0 300.405 4.386 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1 ZINC001308041036 1065736021 /nfs/dbraw/zinc/73/60/21/1065736021.db2.gz RNTVRNANIPZBQV-NHCUHLMSSA-N 1 0 309.453 4.277 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001308038301 1065736902 /nfs/dbraw/zinc/73/69/02/1065736902.db2.gz RXAXLIPOWHJOML-OAQYLSRUSA-N 1 0 320.436 4.338 20 30 DIEDRO C=CCCC[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccccc1 ZINC001308041069 1065737241 /nfs/dbraw/zinc/73/72/41/1065737241.db2.gz SCJWTRWZOAOJHJ-IBGZPJMESA-N 1 0 314.473 4.076 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001308059255 1065744110 /nfs/dbraw/zinc/74/41/10/1065744110.db2.gz HRCYEFQMVYSHJO-QFBILLFUSA-N 1 0 324.509 4.146 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001308067747 1065746316 /nfs/dbraw/zinc/74/63/16/1065746316.db2.gz KCAFTUOJARMCNB-LLVKDONJSA-N 1 0 301.739 4.204 20 30 DIEDRO C=CCC1(O)CC[NH+](Cc2c(C)ccc3cc(C)ccc32)CC1 ZINC001308088240 1065756840 /nfs/dbraw/zinc/75/68/40/1065756840.db2.gz DYORKCQEEJZSQQ-UHFFFAOYSA-N 1 0 309.453 4.360 20 30 DIEDRO C[N@H+](CCCF)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001308087991 1065758382 /nfs/dbraw/zinc/75/83/82/1065758382.db2.gz CEUYTJZMKSXGKO-UHFFFAOYSA-N 1 0 310.416 4.178 20 30 DIEDRO CC(C)C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccn1 ZINC001308095587 1065760759 /nfs/dbraw/zinc/76/07/59/1065760759.db2.gz MVAHRUFWAHYHER-UHFFFAOYSA-N 1 0 312.844 4.245 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCC1 ZINC001308101833 1065762191 /nfs/dbraw/zinc/76/21/91/1065762191.db2.gz UJRFGOHBGMWPQI-UHFFFAOYSA-N 1 0 301.739 4.394 20 30 DIEDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001308098992 1065762303 /nfs/dbraw/zinc/76/23/03/1065762303.db2.gz NIPTVEYWJHJRKT-UTKZUKDTSA-N 1 0 320.436 4.357 20 30 DIEDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001308100091 1065762797 /nfs/dbraw/zinc/76/27/97/1065762797.db2.gz VKEFJTYNKKUTFE-UWJYYQICSA-N 1 0 304.437 4.369 20 30 DIEDRO C#CC[N@@H+](C[C@H](OC)C1CCCC1)[C@@H]1CCCc2ccccc21 ZINC001308104730 1065764417 /nfs/dbraw/zinc/76/44/17/1065764417.db2.gz TZTGCCCAKLDOQQ-RTWAWAEBSA-N 1 0 311.469 4.204 20 30 DIEDRO C#CC[N@@H+](C[C@@H](OC)C1CCCC1)[C@@H]1CCCc2ccccc21 ZINC001308104729 1065764541 /nfs/dbraw/zinc/76/45/41/1065764541.db2.gz TZTGCCCAKLDOQQ-NHCUHLMSSA-N 1 0 311.469 4.204 20 30 DIEDRO Cc1cccc([C@@H](C)[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC001308115021 1065767402 /nfs/dbraw/zinc/76/74/02/1065767402.db2.gz ULPWAOAAALRVDB-OXQOHEQNSA-N 1 0 306.409 4.001 20 30 DIEDRO C[C@@H](C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001308114352 1065768582 /nfs/dbraw/zinc/76/85/82/1065768582.db2.gz MQSFOZJTBIYQDI-QAPCUYQASA-N 1 0 300.446 4.004 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc4[nH]ccc4c3)CC2)s1 ZINC001308133933 1065775245 /nfs/dbraw/zinc/77/52/45/1065775245.db2.gz FDXJZRGNYGUREX-UHFFFAOYSA-N 1 0 321.449 4.481 20 30 DIEDRO CCC[C@](C)([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1 ZINC001308153008 1065782871 /nfs/dbraw/zinc/78/28/71/1065782871.db2.gz CSZAJVDQPNSMSU-FQEVSTJZSA-N 1 0 308.425 4.372 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccsc1Cl)C(C)C ZINC001308196147 1065803207 /nfs/dbraw/zinc/80/32/07/1065803207.db2.gz BVXQFIXPXCPBMF-OAHLLOKOSA-N 1 0 312.910 4.190 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccsc1Cl)C(C)C ZINC001308196145 1065803876 /nfs/dbraw/zinc/80/38/76/1065803876.db2.gz BVXQFIXPXCPBMF-HNNXBMFYSA-N 1 0 312.910 4.190 20 30 DIEDRO C=C(Br)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC001308254263 1065858312 /nfs/dbraw/zinc/85/83/12/1065858312.db2.gz QSMJUISLJCDADT-UHFFFAOYSA-N 1 0 310.235 4.006 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001308271288 1065870586 /nfs/dbraw/zinc/87/05/86/1065870586.db2.gz MSGAPGUNXFFKGG-BQYQJAHWSA-N 1 0 322.452 4.120 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC001308274827 1065875355 /nfs/dbraw/zinc/87/53/55/1065875355.db2.gz NRAPZAIXLFVOJU-AZUAARDMSA-N 1 0 304.437 4.209 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC001308296283 1065892683 /nfs/dbraw/zinc/89/26/83/1065892683.db2.gz XWWRYGGBTILYKA-MAUKXSAKSA-N 1 0 317.860 4.410 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC001308296281 1065892994 /nfs/dbraw/zinc/89/29/94/1065892994.db2.gz XWWRYGGBTILYKA-CRAIPNDOSA-N 1 0 317.860 4.410 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001308345877 1065929612 /nfs/dbraw/zinc/92/96/12/1065929612.db2.gz POTZQZUUKFIVIH-HNNXBMFYSA-N 1 0 303.446 4.476 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)C1 ZINC001308368438 1065944839 /nfs/dbraw/zinc/94/48/39/1065944839.db2.gz WMIAPKMWVFEKGR-IEBWSBKVSA-N 1 0 315.457 4.235 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)C1 ZINC001308368440 1065945673 /nfs/dbraw/zinc/94/56/73/1065945673.db2.gz WMIAPKMWVFEKGR-PKOBYXMFSA-N 1 0 315.457 4.235 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1sc2c(cccc2Cl)c1C)[C@@H]1CCCO1 ZINC001308378389 1065951273 /nfs/dbraw/zinc/95/12/73/1065951273.db2.gz XFKJEGUMRVVSAG-CABCVRRESA-N 1 0 319.857 4.134 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C1 ZINC001308379086 1065952079 /nfs/dbraw/zinc/95/20/79/1065952079.db2.gz SAQXJUCWBKQAQT-YOEHRIQHSA-N 1 0 300.421 4.194 20 30 DIEDRO N#Cc1ccc(C[NH2+]C/C=C\c2cccc(F)c2)cc1Cl ZINC001308382837 1065955593 /nfs/dbraw/zinc/95/55/93/1065955593.db2.gz BVWHELAWSNIYCF-RQOWECAXSA-N 1 0 300.764 4.154 20 30 DIEDRO C=CCC1([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCCCC1 ZINC001308404194 1065966600 /nfs/dbraw/zinc/96/66/00/1065966600.db2.gz PITFKKWJAGRMMW-UHFFFAOYSA-N 1 0 313.420 4.380 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OCOCC)cc2)CCCCC1 ZINC001308404576 1065966813 /nfs/dbraw/zinc/96/68/13/1065966813.db2.gz YZBFGSKZQNLWKE-UHFFFAOYSA-N 1 0 303.446 4.428 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCC[C@@H]2CC)cc(OC)c1O ZINC001308407228 1065968183 /nfs/dbraw/zinc/96/81/83/1065968183.db2.gz NFWXVBQURFFNPU-DOTOQJQBSA-N 1 0 303.446 4.045 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](COC)c2ccc(Cl)cc2)C1 ZINC001308409595 1065969988 /nfs/dbraw/zinc/96/99/88/1065969988.db2.gz TXTUNYBKWNHXKT-QGPMSJSTSA-N 1 0 307.865 4.404 20 30 DIEDRO C#CCN(C)CCC[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001308422420 1065977746 /nfs/dbraw/zinc/97/77/46/1065977746.db2.gz JQCNURQHVXRQCL-UHFFFAOYSA-N 1 0 320.480 4.015 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001308435279 1065985949 /nfs/dbraw/zinc/98/59/49/1065985949.db2.gz ITTCTULUWIBKHH-UHFFFAOYSA-N 1 0 302.399 4.379 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001308435006 1065986577 /nfs/dbraw/zinc/98/65/77/1065986577.db2.gz CTLJQXYHEOXAHE-UHFFFAOYSA-N 1 0 302.399 4.379 20 30 DIEDRO C#Cc1ccc(C[NH2+]CC2(c3c(F)cccc3F)CCC2)cc1 ZINC001308437804 1065988189 /nfs/dbraw/zinc/98/81/89/1065988189.db2.gz WGKGBHVSEXJMIF-UHFFFAOYSA-N 1 0 311.375 4.158 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1C ZINC001308461515 1066003570 /nfs/dbraw/zinc/00/35/70/1066003570.db2.gz COCKPKQZMJLUKC-NVXWUHKLSA-N 1 0 303.446 4.237 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1C ZINC001308462157 1066005222 /nfs/dbraw/zinc/00/52/22/1066005222.db2.gz MIBOCDKUDDATTC-RDJZCZTQSA-N 1 0 303.446 4.237 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(Br)cn2)CCCC1 ZINC001308463591 1066005306 /nfs/dbraw/zinc/00/53/06/1066005306.db2.gz IWBJZOAOSNNGBQ-UHFFFAOYSA-N 1 0 323.278 4.460 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)CO2)cc1Cl ZINC001308504097 1066032694 /nfs/dbraw/zinc/03/26/94/1066032694.db2.gz ZIQPGFNLCCYFIO-HNNXBMFYSA-N 1 0 323.864 4.200 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(CCO)CCCCC2)cc1Cl ZINC001308509298 1066036073 /nfs/dbraw/zinc/03/60/73/1066036073.db2.gz LJCWRJGURHFIEC-UHFFFAOYSA-N 1 0 323.864 4.080 20 30 DIEDRO CSC1(C[NH2+]Cc2c(C)cc(C#N)cc2C)CCCCC1 ZINC001308522973 1066044927 /nfs/dbraw/zinc/04/49/27/1066044927.db2.gz GFAMAAQYECVGFT-UHFFFAOYSA-N 1 0 302.487 4.331 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc3oc4ccccc4c3c2)CCOCC1 ZINC001308526937 1066047387 /nfs/dbraw/zinc/04/73/87/1066047387.db2.gz YDIOPIZYJJTSRS-UHFFFAOYSA-N 1 0 319.404 4.248 20 30 DIEDRO CC(C)Cc1ccc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cn1 ZINC001308529810 1066048715 /nfs/dbraw/zinc/04/87/15/1066048715.db2.gz OXLJQIFAHIUBAX-UHFFFAOYSA-N 1 0 321.468 4.263 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@]23C[C@H]2CCC3)cc1OC ZINC001308531150 1066049998 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C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(C)o1)Cc1ccccc1 ZINC001308584025 1066099820 /nfs/dbraw/zinc/09/98/20/1066099820.db2.gz FBFPUVWQFSVPSO-UHFFFAOYSA-N 1 0 321.424 4.177 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)ccc1C#N ZINC001308595915 1066106555 /nfs/dbraw/zinc/10/65/55/1066106555.db2.gz FTZLQIFNQQESST-HXUWFJFHSA-N 1 0 320.436 4.082 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@H]1CC[C@H](SC)C1 ZINC001308596222 1066106812 /nfs/dbraw/zinc/10/68/12/1066106812.db2.gz KDDWPIKGPZRYCZ-KBPBESRZSA-N 1 0 323.889 4.068 20 30 DIEDRO CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC001308608236 1066114786 /nfs/dbraw/zinc/11/47/86/1066114786.db2.gz COVLAJCMFLEMJL-UHFFFAOYSA-N 1 0 312.413 4.208 20 30 DIEDRO CC[C@H](C)[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)OC ZINC001308612443 1066117545 /nfs/dbraw/zinc/11/75/45/1066117545.db2.gz XVDREXCSQQVLQG-QFBILLFUSA-N 1 0 302.462 4.077 20 30 DIEDRO CC[C@H]1CCC[C@@H](C[N@H+](CCOC)Cc2ccc(C#N)cc2)C1 ZINC001308615757 1066120271 /nfs/dbraw/zinc/12/02/71/1066120271.db2.gz QZMYANCEYYMJHV-FXAWDEMLSA-N 1 0 314.473 4.223 20 30 DIEDRO CC[N@H+](C[C@@H]1C[C@]1(C)Br)[C@@H](C)c1ccc(C#N)cc1 ZINC001308618521 1066120814 /nfs/dbraw/zinc/12/08/14/1066120814.db2.gz GVIAZGJOOHCFOP-RCBQFDQVSA-N 1 0 321.262 4.115 20 30 DIEDRO C#CC[N@H+](Cc1cc2ccccc2[nH]1)[C@H]1CCc2ccccc21 ZINC001308633691 1066129063 /nfs/dbraw/zinc/12/90/63/1066129063.db2.gz AKUXETGZKSGMCF-NRFANRHFSA-N 1 0 300.405 4.291 20 30 DIEDRO C#CC[N@@H+](Cc1cc(COC)cs1)[C@H]1CCc2ccccc21 ZINC001308635268 1066130538 /nfs/dbraw/zinc/13/05/38/1066130538.db2.gz QWCOMARIEVAXCB-IBGZPJMESA-N 1 0 311.450 4.017 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC001308659851 1066142288 /nfs/dbraw/zinc/14/22/88/1066142288.db2.gz DOHIWQLQTNAAPU-UHFFFAOYSA-N 1 0 319.326 4.199 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001308677803 1066152199 /nfs/dbraw/zinc/15/21/99/1066152199.db2.gz RVJJCBOWOUNHAK-GFCCVEGCSA-N 1 0 303.393 4.145 20 30 DIEDRO Cn1cc(C[NH2+][C@@H]2CCCCC2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC001308682889 1066153767 /nfs/dbraw/zinc/15/37/67/1066153767.db2.gz HLDRDYLTAZKTHR-GOSISDBHSA-N 1 0 322.456 4.017 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ccc(OCc2cccc(OC)c2)cc1 ZINC001308691704 1066184052 /nfs/dbraw/zinc/18/40/52/1066184052.db2.gz VSMHHKCYUUGSJF-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](C)[C@H](c1ccccc1C)N(C)C ZINC001308695593 1066184840 /nfs/dbraw/zinc/18/48/40/1066184840.db2.gz NENBOBJARKAZCJ-UYAOXDASSA-N 1 0 300.490 4.160 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1F ZINC001308737662 1066210903 /nfs/dbraw/zinc/21/09/03/1066210903.db2.gz KSKGNQNDHNRQHA-MAUKXSAKSA-N 1 0 312.363 4.262 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1F ZINC001308736921 1066211196 /nfs/dbraw/zinc/21/11/96/1066211196.db2.gz AYMRYFPLYLDWEH-MAUKXSAKSA-N 1 0 312.363 4.262 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 ZINC001308738187 1066212681 /nfs/dbraw/zinc/21/26/81/1066212681.db2.gz QDWGMDSEMFEVFN-BLVKFPJESA-N 1 0 312.363 4.217 20 30 DIEDRO C=C(C)C[N@H+](CCc1cc(C)cc(C)c1)Cc1ccc(CO)o1 ZINC001308758311 1066229740 /nfs/dbraw/zinc/22/97/40/1066229740.db2.gz ODCYVPMOGSZFMI-UHFFFAOYSA-N 1 0 313.441 4.010 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCCCC)C2(C)C)cc1 ZINC001308756981 1066232776 /nfs/dbraw/zinc/23/27/76/1066232776.db2.gz FXTADPMNHVSWIM-RTBURBONSA-N 1 0 317.473 4.325 20 30 DIEDRO CCCC[N@H+](Cc1csc(C#N)c1)[C@@H]1CCCC[C@H]1OC ZINC001308765860 1066239044 /nfs/dbraw/zinc/23/90/44/1066239044.db2.gz KDESUOMLTPTBQC-IAGOWNOFSA-N 1 0 306.475 4.179 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC001308769394 1066242470 /nfs/dbraw/zinc/24/24/70/1066242470.db2.gz HBRDBUKZGPFCNB-XWTMOSNGSA-N 1 0 319.493 4.105 20 30 DIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(C2CC2)cc1 ZINC001308793684 1066269726 /nfs/dbraw/zinc/26/97/26/1066269726.db2.gz FODGVPQTMRRMSH-UHFFFAOYSA-N 1 0 320.436 4.084 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC001308802856 1066280416 /nfs/dbraw/zinc/28/04/16/1066280416.db2.gz NDWCODJZKKEJMM-SFHVURJKSA-N 1 0 315.844 4.117 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CC(C)(C)CC(=O)OC ZINC001308814970 1066291719 /nfs/dbraw/zinc/29/17/19/1066291719.db2.gz OGKAFTLQQIJJBE-AEFFLSMTSA-N 1 0 317.473 4.131 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001308826287 1066300383 /nfs/dbraw/zinc/30/03/83/1066300383.db2.gz UDGRSTDCYPWUDS-HTAPYJJXSA-N 1 0 316.448 4.330 20 30 DIEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001308824782 1066300662 /nfs/dbraw/zinc/30/06/62/1066300662.db2.gz ULPNVKYQWKFTQM-SFHVURJKSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc(F)cc1F ZINC001308829839 1066304426 /nfs/dbraw/zinc/30/44/26/1066304426.db2.gz NYUNAIFBMJFZNT-CYBMUJFWSA-N 1 0 300.352 4.072 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001308831212 1066306715 /nfs/dbraw/zinc/30/67/15/1066306715.db2.gz DUVLYEUZOFJKLS-CQSZACIVSA-N 1 0 324.390 4.007 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001308830877 1066307355 /nfs/dbraw/zinc/30/73/55/1066307355.db2.gz WZRWWTPNZXQGEX-ROUUACIJSA-N 1 0 316.489 4.246 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC001308837194 1066311049 /nfs/dbraw/zinc/31/10/49/1066311049.db2.gz YBBUMUZGVDYZLI-SFTDATJTSA-N 1 0 304.437 4.487 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001308854390 1066334073 /nfs/dbraw/zinc/33/40/73/1066334073.db2.gz MYYPBJKNPKSEDC-SFHVURJKSA-N 1 0 311.473 4.026 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC001308853862 1066334910 /nfs/dbraw/zinc/33/49/10/1066334910.db2.gz ADSSYIHCUJPIJY-OAHLLOKOSA-N 1 0 313.420 4.014 20 30 DIEDRO Cc1ccc2cc(C[NH2+]C(C)(C)c3cccc(C#N)c3)ccc2n1 ZINC001308861771 1066340997 /nfs/dbraw/zinc/34/09/97/1066340997.db2.gz HFZWFGWDKLFRQT-UHFFFAOYSA-N 1 0 315.420 4.440 20 30 DIEDRO CC(C)([NH2+]Cc1cncc2ccccc21)c1cccc(C#N)c1 ZINC001308861612 1066342217 /nfs/dbraw/zinc/34/22/17/1066342217.db2.gz AJTIDCOEIKSXJI-UHFFFAOYSA-N 1 0 301.393 4.131 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC001308877488 1066359013 /nfs/dbraw/zinc/35/90/13/1066359013.db2.gz SQAUIAKRJISMRG-CQSZACIVSA-N 1 0 312.457 4.226 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC001308880231 1066359683 /nfs/dbraw/zinc/35/96/83/1066359683.db2.gz JMRYAXOPZHRCBU-MRXNPFEDSA-N 1 0 308.425 4.155 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001308891059 1066371540 /nfs/dbraw/zinc/37/15/40/1066371540.db2.gz HSHIGPBTJOVKSY-BBRMVZONSA-N 1 0 314.395 4.252 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC001308911138 1066389569 /nfs/dbraw/zinc/38/95/69/1066389569.db2.gz SAPWHMFRUQDKBX-WDSOQIARSA-N 1 0 315.457 4.233 20 30 DIEDRO CC[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC001308918829 1066397769 /nfs/dbraw/zinc/39/77/69/1066397769.db2.gz OCHKAKPALVTMKF-SFHVURJKSA-N 1 0 300.446 4.405 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001308928504 1066402932 /nfs/dbraw/zinc/40/29/32/1066402932.db2.gz PQWOQKTZGANFPQ-LJQANCHMSA-N 1 0 300.490 4.233 20 30 DIEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001308931429 1066404347 /nfs/dbraw/zinc/40/43/47/1066404347.db2.gz PWZJHFJZLLCWGO-IJNIYJAUSA-N 1 0 308.400 4.409 20 30 DIEDRO COc1ccc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC001308935901 1066407415 /nfs/dbraw/zinc/40/74/15/1066407415.db2.gz XZXBLJINPHHBIP-NVXWUHKLSA-N 1 0 308.425 4.063 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1cccc(C#N)c1 ZINC001308938818 1066408896 /nfs/dbraw/zinc/40/88/96/1066408896.db2.gz QULQFWMDIBCSPS-JQFCIGGWSA-N 1 0 300.446 4.191 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC001308957437 1066418282 /nfs/dbraw/zinc/41/82/82/1066418282.db2.gz BATAUHBTUSXJGS-GJZGRUSLSA-N 1 0 317.845 4.094 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC001308957436 1066418558 /nfs/dbraw/zinc/41/85/58/1066418558.db2.gz BATAUHBTUSXJGS-CABCVRRESA-N 1 0 317.845 4.094 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC[C@H](c2nc(CC)no2)C1 ZINC001308958552 1066419592 /nfs/dbraw/zinc/41/95/92/1066419592.db2.gz HTPOVFPPWJOURD-JYJNAYRXSA-N 1 0 305.466 4.383 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001308969481 1066424407 /nfs/dbraw/zinc/42/44/07/1066424407.db2.gz SVKKRHLCMPAMQQ-DLBZAZTESA-N 1 0 324.509 4.310 20 30 DIEDRO C#Cc1ccc(N[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001308974706 1066427806 /nfs/dbraw/zinc/42/78/06/1066427806.db2.gz SUAITTJSYCCQTM-UWJYYQICSA-N 1 0 304.437 4.133 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001308980351 1066429441 /nfs/dbraw/zinc/42/94/41/1066429441.db2.gz XRRKVYKTPNRRTQ-OAGGEKHMSA-N 1 0 310.482 4.157 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001308981016 1066431701 /nfs/dbraw/zinc/43/17/01/1066431701.db2.gz FEHBDOQZGQOYRX-SJORKVTESA-N 1 0 324.509 4.358 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000088764675 185264522 /nfs/dbraw/zinc/26/45/22/185264522.db2.gz DBFJHCPVKPFCSP-MRXNPFEDSA-N 1 0 305.425 4.009 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000008532202 190632142 /nfs/dbraw/zinc/63/21/42/190632142.db2.gz KYBFBICTQNYGFZ-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000280896333 334966944 /nfs/dbraw/zinc/96/69/44/334966944.db2.gz QNYDDJOKZPIEGE-IIMJZQEZSA-N 1 0 311.425 4.177 20 30 DIEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072776348 191227134 /nfs/dbraw/zinc/22/71/34/191227134.db2.gz IMVMIFBSYJFPHF-WMLDXEAASA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000442668718 335001679 /nfs/dbraw/zinc/00/16/79/335001679.db2.gz FHBSHQCTRJMJDF-HNNXBMFYSA-N 1 0 300.471 4.371 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3c1cccc3Cl)CC2 ZINC000563783397 335007294 /nfs/dbraw/zinc/00/72/94/335007294.db2.gz WVAWRQOSKLJQNK-RBUKOAKNSA-N 1 0 308.812 4.476 20 30 DIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1OC ZINC000061079367 335008481 /nfs/dbraw/zinc/00/84/81/335008481.db2.gz UWXNXHGGDVVWKA-UHFFFAOYSA-N 1 0 324.424 4.036 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cnc(OC)c(Cl)c1)c1ccccc1 ZINC000284467677 335012803 /nfs/dbraw/zinc/01/28/03/335012803.db2.gz UFDJBQONLUDPEV-SUMWQHHRSA-N 1 0 314.816 4.159 20 30 DIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCCN1CC1(C#N)CC1 ZINC000343306471 335026191 /nfs/dbraw/zinc/02/61/91/335026191.db2.gz VHVGOCWLORQJJJ-KRWDZBQOSA-N 1 0 308.429 4.058 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000286378352 335033583 /nfs/dbraw/zinc/03/35/83/335033583.db2.gz ANAAZZZCTYIFGP-FQEVSTJZSA-N 1 0 308.425 4.277 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1OC(F)F ZINC000425542547 335035928 /nfs/dbraw/zinc/03/59/28/335035928.db2.gz YGUQXYXMAGWYBX-ZDUSSCGKSA-N 1 0 316.351 4.353 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442713974 335044735 /nfs/dbraw/zinc/04/47/35/335044735.db2.gz JMWLZQRGAAHANS-INWMFGNUSA-N 1 0 321.262 4.052 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(NC(=O)OC)c1)c1ccco1 ZINC000287405555 335045851 /nfs/dbraw/zinc/04/58/51/335045851.db2.gz JICPPFUVFVIBRR-INIZCTEOSA-N 1 0 314.385 4.255 20 30 DIEDRO COc1cccc(C2([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)c1 ZINC000272161012 130003019 /nfs/dbraw/zinc/00/30/19/130003019.db2.gz BTVGQWCJOMXBAZ-ZDUSSCGKSA-N 1 0 310.372 4.046 20 30 DIEDRO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273400114 130117489 /nfs/dbraw/zinc/11/74/89/130117489.db2.gz GSNRFUKNSUSZFV-WOJBJXKFSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000273399395 130117854 /nfs/dbraw/zinc/11/78/54/130117854.db2.gz GDTBBJNTSFNVPW-GKCIPKSASA-N 1 0 324.399 4.268 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273526568 130132531 /nfs/dbraw/zinc/13/25/31/130132531.db2.gz QRBRMTAVFPYTGU-UXHICEINSA-N 1 0 324.399 4.049 20 30 DIEDRO CC[N@H+](Cc1cnc(C(C)(C)C)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000284433689 131080515 /nfs/dbraw/zinc/08/05/15/131080515.db2.gz SDICKTKPLGPJLX-OAHLLOKOSA-N 1 0 322.456 4.229 20 30 DIEDRO CSCc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000285557614 131180338 /nfs/dbraw/zinc/18/03/38/131180338.db2.gz FNQUGPPCSSTWCE-ZDUSSCGKSA-N 1 0 314.429 4.411 20 30 DIEDRO COCc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000121848267 132160221 /nfs/dbraw/zinc/16/02/21/132160221.db2.gz SEIACKTXFHMBID-CABCVRRESA-N 1 0 324.424 4.125 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1Cl ZINC000563862198 335068624 /nfs/dbraw/zinc/06/86/24/335068624.db2.gz NQUGGQLRGNMKOK-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO CC1CC[NH+](CCCCNc2cc(C#N)c3ccccc3n2)CC1 ZINC000522902358 434935661 /nfs/dbraw/zinc/93/56/61/434935661.db2.gz PGNODVJVXDLSGG-UHFFFAOYSA-N 1 0 322.456 4.030 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+]C(C)(C)COCc1ccccc1 ZINC000281448977 332782922 /nfs/dbraw/zinc/78/29/22/332782922.db2.gz QLJMGQAXVKWSSA-UHFFFAOYSA-N 1 0 302.462 4.291 20 30 DIEDRO CSCc1cc(F)ccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449061170 332807392 /nfs/dbraw/zinc/80/73/92/332807392.db2.gz VISJOFLUJTYKHY-UHFFFAOYSA-N 1 0 306.450 4.251 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1OCC ZINC000011046534 331522412 /nfs/dbraw/zinc/52/24/12/331522412.db2.gz OMMJIFVKRKYBEU-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000025259625 331601351 /nfs/dbraw/zinc/60/13/51/331601351.db2.gz SSIBMIWMABQKJO-NRFANRHFSA-N 1 0 319.452 4.204 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000078973489 331678621 /nfs/dbraw/zinc/67/86/21/331678621.db2.gz FIKLSUQTIJYUOM-KBPBESRZSA-N 1 0 309.369 4.187 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000556582543 331716655 /nfs/dbraw/zinc/71/66/55/331716655.db2.gz AXPCAEOCLMMVGP-MXKXFIQMSA-N 1 0 320.436 4.410 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000556583312 331716659 /nfs/dbraw/zinc/71/66/59/331716659.db2.gz GYJPWAIZSHAFPA-CQSZACIVSA-N 1 0 311.853 4.371 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000556595068 331718156 /nfs/dbraw/zinc/71/81/56/331718156.db2.gz OXGPYQRLYXUCDI-GOSISDBHSA-N 1 0 310.445 4.045 20 30 DIEDRO C=C(C)CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000556812019 331735502 /nfs/dbraw/zinc/73/55/02/331735502.db2.gz NGXCGBAWSAEFQV-UHFFFAOYSA-N 1 0 324.262 4.011 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000556872262 331745745 /nfs/dbraw/zinc/74/57/45/331745745.db2.gz WXWSGHLXDHCYBX-QWFCFKBJSA-N 1 0 323.484 4.085 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000557276091 331780372 /nfs/dbraw/zinc/78/03/72/331780372.db2.gz LHMGOLUAGUYWLT-GOSISDBHSA-N 1 0 315.457 4.395 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)nc1 ZINC000558244898 331887299 /nfs/dbraw/zinc/88/72/99/331887299.db2.gz DFJBHYINEVVKAF-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO CC(C)(C)c1ccc(C2(C[NH2+]C[C@H](C#N)CCC#N)CCC2)cc1 ZINC000558506692 331914978 /nfs/dbraw/zinc/91/49/78/331914978.db2.gz IKWJOUPDBRPWAT-KRWDZBQOSA-N 1 0 323.484 4.439 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]CC1(c2ccccc2)CCCCCC1 ZINC000558506831 331915088 /nfs/dbraw/zinc/91/50/88/331915088.db2.gz PEYQHHBAXBBFTF-GOSISDBHSA-N 1 0 309.457 4.312 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000558740846 331940503 /nfs/dbraw/zinc/94/05/03/331940503.db2.gz DAPXXLGESNBWOO-CQSZACIVSA-N 1 0 314.816 4.331 20 30 DIEDRO N#Cc1c(F)cccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000518140402 331992849 /nfs/dbraw/zinc/99/28/49/331992849.db2.gz OFKLUXRYYVRNJC-UHFFFAOYSA-N 1 0 309.388 4.079 20 30 DIEDRO C=C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000518161251 331994226 /nfs/dbraw/zinc/99/42/26/331994226.db2.gz KDPDKSBSAXKRRW-UHFFFAOYSA-N 1 0 307.437 4.445 20 30 DIEDRO C[C@@H](C[NH+]1CCC(C#N)(c2ccccn2)CC1)C1CCCCC1 ZINC000559228456 331996813 /nfs/dbraw/zinc/99/68/13/331996813.db2.gz QMGGFALRSMNACI-KRWDZBQOSA-N 1 0 311.473 4.155 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000559244278 332001307 /nfs/dbraw/zinc/00/13/07/332001307.db2.gz UUUQWYZXUZBGIT-CVEARBPZSA-N 1 0 313.363 4.134 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000127939269 332009296 /nfs/dbraw/zinc/00/92/96/332009296.db2.gz URUKHPNZKCSHJQ-CQSZACIVSA-N 1 0 302.830 4.440 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c(Cl)c1 ZINC000559299972 332020476 /nfs/dbraw/zinc/02/04/76/332020476.db2.gz LOUFCSIVGPLCAW-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000559306403 332021233 /nfs/dbraw/zinc/02/12/33/332021233.db2.gz GVWNLSCOMKLJRQ-UHFFFAOYSA-N 1 0 310.441 4.353 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000131088775 332027994 /nfs/dbraw/zinc/02/79/94/332027994.db2.gz AKCLYBCYKRBZHC-HNNXBMFYSA-N 1 0 324.424 4.061 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000409447342 332031844 /nfs/dbraw/zinc/03/18/44/332031844.db2.gz NEIZCKPYVFLEQL-INIZCTEOSA-N 1 0 320.502 4.449 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000409447942 332033587 /nfs/dbraw/zinc/03/35/87/332033587.db2.gz DKXVKQWLFQDYDS-IBGZPJMESA-N 1 0 314.473 4.040 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cccs2)CC1 ZINC000518450410 332047241 /nfs/dbraw/zinc/04/72/41/332047241.db2.gz IBGVMZJDLMKJSZ-UHFFFAOYSA-N 1 0 312.438 4.100 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1Cc2ccccc2C1 ZINC000569399255 332074700 /nfs/dbraw/zinc/07/47/00/332074700.db2.gz LIECUYUPAVOIJF-FCHUYYIVSA-N 1 0 316.448 4.173 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc2nc(C)sc2c1 ZINC000426365686 332086847 /nfs/dbraw/zinc/08/68/47/332086847.db2.gz MOJCHULSPXXTOF-UHFFFAOYSA-N 1 0 312.438 4.428 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665805 332092571 /nfs/dbraw/zinc/09/25/71/332092571.db2.gz KBTVDVXDHOFSCM-UWJYYQICSA-N 1 0 318.420 4.394 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc2ccccc2c1 ZINC000410311393 332109347 /nfs/dbraw/zinc/10/93/47/332109347.db2.gz VGNHPXUGIJWULI-UHFFFAOYSA-N 1 0 322.452 4.372 20 30 DIEDRO CC(C)CC[NH+](CCCC1(C#N)CCOCC1)CCC(C)C ZINC000410297681 332109622 /nfs/dbraw/zinc/10/96/22/332109622.db2.gz CIOPBGOXQNJEQM-UHFFFAOYSA-N 1 0 308.510 4.481 20 30 DIEDRO C=CCCCCC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000569507503 332112937 /nfs/dbraw/zinc/11/29/37/332112937.db2.gz GZPVVKLLOCIODN-UHFFFAOYSA-N 1 0 305.437 4.253 20 30 DIEDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000092223976 332122260 /nfs/dbraw/zinc/12/22/60/332122260.db2.gz AOYQBGNFVYNBID-IBGZPJMESA-N 1 0 307.441 4.466 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(c3cccc(F)c3)CC1)CC2 ZINC000569533231 332127442 /nfs/dbraw/zinc/12/74/42/332127442.db2.gz BMAZDYMGFLEUGL-LJQANCHMSA-N 1 0 306.384 4.006 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000093594594 332140283 /nfs/dbraw/zinc/14/02/83/332140283.db2.gz RRCRVMIZUCCCQH-MRXNPFEDSA-N 1 0 316.420 4.050 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000093843081 332143201 /nfs/dbraw/zinc/14/32/01/332143201.db2.gz ZXUUWQSORGOVDZ-LJQANCHMSA-N 1 0 314.473 4.040 20 30 DIEDRO C=C(C)CN(C)[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000181250116 332188237 /nfs/dbraw/zinc/18/82/37/332188237.db2.gz AODYTZCAVAUTOC-KRWDZBQOSA-N 1 0 322.452 4.112 20 30 DIEDRO C=C(C)CN(C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000181319558 332191298 /nfs/dbraw/zinc/19/12/98/332191298.db2.gz ZBGKVKSEHNOPMX-UHFFFAOYSA-N 1 0 321.635 4.093 20 30 DIEDRO C=CCCC[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000448027348 332198333 /nfs/dbraw/zinc/19/83/33/332198333.db2.gz MOVNVMUTJLHKSF-GOSISDBHSA-N 1 0 314.385 4.395 20 30 DIEDRO C=C(CC)C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000559410741 332256399 /nfs/dbraw/zinc/25/63/99/332256399.db2.gz VYLZJQQNYBTYCZ-UHFFFAOYSA-N 1 0 311.828 4.127 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000559837843 332284256 /nfs/dbraw/zinc/28/42/56/332284256.db2.gz QPYMMVZQAOKWGA-UHFFFAOYSA-N 1 0 300.446 4.002 20 30 DIEDRO C=CCCC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000560026812 332303191 /nfs/dbraw/zinc/30/31/91/332303191.db2.gz UFSQWDBZZFUTAL-UHFFFAOYSA-N 1 0 317.864 4.257 20 30 DIEDRO CCCC(C)(C)[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000111387350 332305356 /nfs/dbraw/zinc/30/53/56/332305356.db2.gz SVCLTKXKXZZILN-UHFFFAOYSA-N 1 0 304.434 4.046 20 30 DIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1OC ZINC000521291756 332322374 /nfs/dbraw/zinc/32/23/74/332322374.db2.gz AEOYTHOZGYRPJM-LSDHHAIUSA-N 1 0 318.461 4.115 20 30 DIEDRO C[C@@H](CCC1CCCCC1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000560254260 332323748 /nfs/dbraw/zinc/32/37/48/332323748.db2.gz YOKHQCONKMKEEI-HNNXBMFYSA-N 1 0 310.445 4.045 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1c[nH]nc1-c1cccs1 ZINC000119932527 332327320 /nfs/dbraw/zinc/32/73/20/332327320.db2.gz FRUPERIPZIIZEU-UHFFFAOYSA-N 1 0 315.467 4.388 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccco1 ZINC000560520608 332349665 /nfs/dbraw/zinc/34/96/65/332349665.db2.gz RCFNZUIGPGBRPL-RBUKOAKNSA-N 1 0 312.457 4.049 20 30 DIEDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)cc1 ZINC000560541347 332355382 /nfs/dbraw/zinc/35/53/82/332355382.db2.gz JACDUEVKKHSOGZ-FQEVSTJZSA-N 1 0 320.436 4.022 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)ccc2F)C(C)C)cc1 ZINC000120152689 332383975 /nfs/dbraw/zinc/38/39/75/332383975.db2.gz QLQGYGUUIYNCOD-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO Cc1ccsc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000237772405 332389126 /nfs/dbraw/zinc/38/91/26/332389126.db2.gz QWXWTLFLLULBLX-UHFFFAOYSA-N 1 0 309.356 4.217 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000153541053 332389741 /nfs/dbraw/zinc/38/97/41/332389741.db2.gz PTIAKGPHGCCRFN-KBXCAEBGSA-N 1 0 312.438 4.376 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1sccc1Br ZINC000578716974 332391180 /nfs/dbraw/zinc/39/11/80/332391180.db2.gz AHVKGLFBYMCWLN-VWYCJHECSA-N 1 0 313.264 4.244 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000237811945 332391213 /nfs/dbraw/zinc/39/12/13/332391213.db2.gz QOZCRMOPZXLYPJ-UHFFFAOYSA-N 1 0 322.742 4.103 20 30 DIEDRO C=CCC(C)(C)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000426455881 332462491 /nfs/dbraw/zinc/46/24/91/332462491.db2.gz VBIBYTGIBSXZME-UHFFFAOYSA-N 1 0 311.429 4.186 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000449665482 332470686 /nfs/dbraw/zinc/47/06/86/332470686.db2.gz MZQSOCULSOXFMK-UHFFFAOYSA-N 1 0 310.363 4.435 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000561957809 332522853 /nfs/dbraw/zinc/52/28/53/332522853.db2.gz UNGCQDWTZAGRIK-IYXRBSQSSA-N 1 0 321.262 4.430 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000561957808 332522854 /nfs/dbraw/zinc/52/28/54/332522854.db2.gz UNGCQDWTZAGRIK-HSBZDZAISA-N 1 0 321.262 4.430 20 30 DIEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000562035507 332535039 /nfs/dbraw/zinc/53/50/39/332535039.db2.gz ATXIAGNPZKJSEL-IBGZPJMESA-N 1 0 305.425 4.147 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000130504791 332539190 /nfs/dbraw/zinc/53/91/90/332539190.db2.gz UBPRXXFSJPMCFU-KRWDZBQOSA-N 1 0 309.369 4.038 20 30 DIEDRO CN(C)c1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1F ZINC000130601464 332542074 /nfs/dbraw/zinc/54/20/74/332542074.db2.gz SHIXMORACODYFV-SFHVURJKSA-N 1 0 311.404 4.026 20 30 DIEDRO CC[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000562603229 332608368 /nfs/dbraw/zinc/60/83/68/332608368.db2.gz AMUQORUAUCGHRL-CBNMVNINSA-N 1 0 320.436 4.347 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000525697181 332623386 /nfs/dbraw/zinc/62/33/86/332623386.db2.gz CFIHMCNZOBWDLH-UHFFFAOYSA-N 1 0 323.436 4.047 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCc1scnc1C)c1ccc(F)c(F)c1 ZINC000187788335 332628897 /nfs/dbraw/zinc/62/88/97/332628897.db2.gz ZVXQAWQQTLTACM-MRXNPFEDSA-N 1 0 308.397 4.179 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3OC)cc1 ZINC000151904488 332637702 /nfs/dbraw/zinc/63/77/02/332637702.db2.gz UVLCWKSRHRXGNN-IBGZPJMESA-N 1 0 309.409 4.037 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000562900571 332638307 /nfs/dbraw/zinc/63/83/07/332638307.db2.gz AEAFCWWEZHWDNY-BJJXKVORSA-N 1 0 324.262 4.081 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000562900574 332638315 /nfs/dbraw/zinc/63/83/15/332638315.db2.gz AEAFCWWEZHWDNY-XPKDYRNWSA-N 1 0 324.262 4.081 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000159908426 332639506 /nfs/dbraw/zinc/63/95/06/332639506.db2.gz IJTPTVOSCBXKCA-FQEVSTJZSA-N 1 0 308.425 4.442 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000569811646 332681902 /nfs/dbraw/zinc/68/19/02/332681902.db2.gz OGGJRZSGIQXBSW-UHFFFAOYSA-N 1 0 303.475 4.316 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(c3ccccc3)CCC1)CC2 ZINC000570438465 332755163 /nfs/dbraw/zinc/75/51/63/332755163.db2.gz FCLRNGDPUURITN-HXUWFJFHSA-N 1 0 302.421 4.257 20 30 DIEDRO CCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)c1 ZINC000570474594 332761303 /nfs/dbraw/zinc/76/13/03/332761303.db2.gz BADIQEFETVQQHM-LJQANCHMSA-N 1 0 321.424 4.148 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000580193816 332997319 /nfs/dbraw/zinc/99/73/19/332997319.db2.gz VUNITVULYGHFHG-OAQYLSRUSA-N 1 0 315.420 4.182 20 30 DIEDRO CC(C)[N@H+](CCCC(C)(C)C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000174832779 333091513 /nfs/dbraw/zinc/09/15/13/333091513.db2.gz UEOZSORYXPDWJS-UHFFFAOYSA-N 1 0 303.406 4.135 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000174879077 333092191 /nfs/dbraw/zinc/09/21/91/333092191.db2.gz LVSNMNVHMZLXLG-INIZCTEOSA-N 1 0 302.487 4.431 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000215931811 333099964 /nfs/dbraw/zinc/09/99/64/333099964.db2.gz DWXRNCMYBFTPLY-LSDHHAIUSA-N 1 0 318.486 4.072 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1OC ZINC000462737056 333102380 /nfs/dbraw/zinc/10/23/80/333102380.db2.gz OTBNRSDRLJILOH-OKZBNKHCSA-N 1 0 315.457 4.318 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000582129975 333124440 /nfs/dbraw/zinc/12/44/40/333124440.db2.gz LORJKACKWTWAFC-KBPBESRZSA-N 1 0 313.832 4.231 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1 ZINC000177444886 333129088 /nfs/dbraw/zinc/12/90/88/333129088.db2.gz JUNZKGCROLWKMW-FQEVSTJZSA-N 1 0 306.409 4.146 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187823863 333150199 /nfs/dbraw/zinc/15/01/99/333150199.db2.gz CIHUVBKVWALINA-OAHLLOKOSA-N 1 0 306.881 4.074 20 30 DIEDRO C[C@H]1C[C@@H]1[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000180025299 333157425 /nfs/dbraw/zinc/15/74/25/333157425.db2.gz CCUKPLSFNLGSHN-MGBSGCIJSA-N 1 0 301.821 4.070 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CCCCC#N)ccc1OCC(C)C ZINC000180093549 333158383 /nfs/dbraw/zinc/15/83/83/333158383.db2.gz FACTVAICCAQQAG-OAHLLOKOSA-N 1 0 304.434 4.074 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(C)ccc1OC ZINC000180552398 333163120 /nfs/dbraw/zinc/16/31/20/333163120.db2.gz NUBSXAYHMMFUDD-IBGZPJMESA-N 1 0 324.424 4.147 20 30 DIEDRO CCc1ccc([C@H](CC)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000180552760 333163167 /nfs/dbraw/zinc/16/31/67/333163167.db2.gz KNIDMFHUBYYBKQ-FQEVSTJZSA-N 1 0 308.425 4.392 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(F)ccc1F ZINC000180550845 333163283 /nfs/dbraw/zinc/16/32/83/333163283.db2.gz UZHBZYMHKPTWFC-GOSISDBHSA-N 1 0 316.351 4.108 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181552924 333170277 /nfs/dbraw/zinc/17/02/77/333170277.db2.gz QJZJVLRBBRTDCN-HUUCEWRRSA-N 1 0 312.388 4.010 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Cc1cccs1 ZINC000181816907 333172689 /nfs/dbraw/zinc/17/26/89/333172689.db2.gz WTPKJOAHNSDLMQ-CABCVRRESA-N 1 0 314.454 4.180 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181865957 333173037 /nfs/dbraw/zinc/17/30/37/333173037.db2.gz SUKMGGBQBRHKMI-BMGDILEWSA-N 1 0 318.486 4.304 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccc(OCC#N)cc1 ZINC000182099532 333175698 /nfs/dbraw/zinc/17/56/98/333175698.db2.gz PGOQFJUDWVMVOU-OLZOCXBDSA-N 1 0 316.351 4.279 20 30 DIEDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000183605665 333186436 /nfs/dbraw/zinc/18/64/36/333186436.db2.gz SDHZFDDGLRGRJG-GOSISDBHSA-N 1 0 309.369 4.038 20 30 DIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCC#N)s2)cc1 ZINC000184088310 333191859 /nfs/dbraw/zinc/19/18/59/333191859.db2.gz RXNUGCIEMDYXIT-LBPRGKRZSA-N 1 0 315.442 4.082 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294478770 335123484 /nfs/dbraw/zinc/12/34/84/335123484.db2.gz XDTKIWHYKWSMNP-GOEBONIOSA-N 1 0 302.418 4.039 20 30 DIEDRO COc1ccccc1SC[C@@H](C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185819881 333214497 /nfs/dbraw/zinc/21/44/97/333214497.db2.gz SMKOVJCGHBHLRP-HRCADAONSA-N 1 0 318.486 4.095 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000185831228 333214845 /nfs/dbraw/zinc/21/48/45/333214845.db2.gz ZCAHMWYDNJNORT-ZVDOUQERSA-N 1 0 319.452 4.346 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000185852512 333214894 /nfs/dbraw/zinc/21/48/94/333214894.db2.gz SIEZRGWLGJIYRT-FTRWYGJKSA-N 1 0 305.425 4.482 20 30 DIEDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000186579532 333220417 /nfs/dbraw/zinc/22/04/17/333220417.db2.gz ZKTTVGVFEOWHBX-MRXNPFEDSA-N 1 0 306.409 4.015 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000497263090 333228787 /nfs/dbraw/zinc/22/87/87/333228787.db2.gz RUCPKRJTEZDBPJ-BBRMVZONSA-N 1 0 308.853 4.336 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000514087971 333261782 /nfs/dbraw/zinc/26/17/82/333261782.db2.gz JOIDSSRBSGFPMG-PXNSSMCTSA-N 1 0 311.473 4.085 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000514087974 333261805 /nfs/dbraw/zinc/26/18/05/333261805.db2.gz JOIDSSRBSGFPMG-YLJYHZDGSA-N 1 0 311.473 4.085 20 30 DIEDRO CC[N@H+](CCOc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594088 333267543 /nfs/dbraw/zinc/26/75/43/333267543.db2.gz PNIGQHXGEVJVAH-MRXNPFEDSA-N 1 0 324.424 4.029 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620491 333270606 /nfs/dbraw/zinc/27/06/06/333270606.db2.gz ZKXSXEHWJYDGTB-AWEZNQCLSA-N 1 0 307.372 4.152 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000540397931 333272802 /nfs/dbraw/zinc/27/28/02/333272802.db2.gz NODAHXJNLPVTLI-ZBEGNZNMSA-N 1 0 314.256 4.219 20 30 DIEDRO CC(C)N(C)c1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cn1 ZINC000191461217 333280149 /nfs/dbraw/zinc/28/01/49/333280149.db2.gz JZEPTEUAFVJFJU-LJQANCHMSA-N 1 0 322.456 4.061 20 30 DIEDRO CC(C)N(C)c1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000191461201 333280235 /nfs/dbraw/zinc/28/02/35/333280235.db2.gz JZEPTEUAFVJFJU-IBGZPJMESA-N 1 0 322.456 4.061 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192090595 333285210 /nfs/dbraw/zinc/28/52/10/333285210.db2.gz VTFLJLPFVZPEQL-CVEARBPZSA-N 1 0 324.827 4.229 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193001510 333297258 /nfs/dbraw/zinc/29/72/58/333297258.db2.gz OVESALLMLMUCTI-CLROSIBMSA-N 1 0 306.837 4.088 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000193294552 333301252 /nfs/dbraw/zinc/30/12/52/333301252.db2.gz CMOFRARCYKZFNR-ZLGUVYLKSA-N 1 0 320.436 4.059 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185384664 335132475 /nfs/dbraw/zinc/13/24/75/335132475.db2.gz HXLMAPQPSVWGIC-MRXNPFEDSA-N 1 0 324.468 4.237 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000525779395 333301392 /nfs/dbraw/zinc/30/13/92/333301392.db2.gz GHDBTKGHVAPQCL-SFHVURJKSA-N 1 0 308.450 4.172 20 30 DIEDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000193425276 333303021 /nfs/dbraw/zinc/30/30/21/333303021.db2.gz ZATZZAZVDZPZHQ-JXFKEZNVSA-N 1 0 324.424 4.017 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000193422768 333303146 /nfs/dbraw/zinc/30/31/46/333303146.db2.gz UPJOYPIKNBIHSG-UHFFFAOYSA-N 1 0 316.420 4.050 20 30 DIEDRO CCO[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000193425316 333303227 /nfs/dbraw/zinc/30/32/27/333303227.db2.gz ZATZZAZVDZPZHQ-OXQOHEQNSA-N 1 0 324.424 4.017 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000295546124 335135826 /nfs/dbraw/zinc/13/58/26/335135826.db2.gz XYKXKQIJGOGGRX-RHSMWYFYSA-N 1 0 307.384 4.273 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000365432392 333406286 /nfs/dbraw/zinc/40/62/86/333406286.db2.gz MNFMFUHZWZSIEY-UHFFFAOYSA-N 1 0 306.494 4.378 20 30 DIEDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000365551903 333409791 /nfs/dbraw/zinc/40/97/91/333409791.db2.gz FBPHGYRGSBWOBE-CEXWTWQISA-N 1 0 322.456 4.081 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000365616398 333413731 /nfs/dbraw/zinc/41/37/31/333413731.db2.gz ACDATCHKXQJKIX-ROUUACIJSA-N 1 0 300.446 4.074 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000338794560 333498574 /nfs/dbraw/zinc/49/85/74/333498574.db2.gz PWJJLDMJDHBWFD-WBAXXEDZSA-N 1 0 301.430 4.113 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000338952281 333503137 /nfs/dbraw/zinc/50/31/37/333503137.db2.gz FMZYWUWDAVVCTN-INIZCTEOSA-N 1 0 324.424 4.229 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccco1 ZINC000296413549 335144555 /nfs/dbraw/zinc/14/45/55/335144555.db2.gz KZULFWORLAAEEB-ZDUSSCGKSA-N 1 0 310.319 4.491 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)C1 ZINC000338994007 333504189 /nfs/dbraw/zinc/50/41/89/333504189.db2.gz AMAKCUWAIAVKDF-XJKSGUPXSA-N 1 0 311.404 4.179 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000366242779 333507253 /nfs/dbraw/zinc/50/72/53/333507253.db2.gz CGFOGKKPYQDQAE-HNNXBMFYSA-N 1 0 304.409 4.347 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000563366610 333597293 /nfs/dbraw/zinc/59/72/93/333597293.db2.gz RXBYPOUMBNXEOF-AWEZNQCLSA-N 1 0 314.351 4.146 20 30 DIEDRO C=CCC[C@H]([NH2+]CC[C@@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000411485792 333679969 /nfs/dbraw/zinc/67/99/69/333679969.db2.gz RLWVPAOKQYALER-DOMZBBRYSA-N 1 0 301.352 4.073 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)CCC#N)c1cc(F)cc(Br)c1 ZINC000411563297 333692197 /nfs/dbraw/zinc/69/21/97/333692197.db2.gz QRHZUNSOMDTJOW-IINYFYTJSA-N 1 0 313.214 4.321 20 30 DIEDRO N#CC1(CC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)CCCCC1 ZINC000411734415 333704084 /nfs/dbraw/zinc/70/40/84/333704084.db2.gz BBINUASMDBSPGS-KRWDZBQOSA-N 1 0 320.864 4.217 20 30 DIEDRO N#CC1(CC[NH+]2CCC(F)(c3ccccn3)CC2)CCCCC1 ZINC000411772297 333705936 /nfs/dbraw/zinc/70/59/36/333705936.db2.gz VERKMTHHBQKTSV-UHFFFAOYSA-N 1 0 315.436 4.206 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](c3cc(F)cc(F)c3)C1)CC2 ZINC000571335203 333753048 /nfs/dbraw/zinc/75/30/48/333753048.db2.gz XCOPWQXAUKQENA-XFQXTVEOSA-N 1 0 324.374 4.360 20 30 DIEDRO CC1CC[NH+](CCc2cccc(N[C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442828922 335157834 /nfs/dbraw/zinc/15/78/34/335157834.db2.gz SQXXQIRTSBNVBJ-AZUAARDMSA-N 1 0 311.473 4.065 20 30 DIEDRO N#Cc1c(C[N@@H+]2CCC[C@H]2c2ccccc2)cn2ccccc12 ZINC000343383302 335160855 /nfs/dbraw/zinc/16/08/55/335160855.db2.gz TWYPFLMHOPGRHW-IBGZPJMESA-N 1 0 301.393 4.148 20 30 DIEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000414171508 333907726 /nfs/dbraw/zinc/90/77/26/333907726.db2.gz VACDZXSDQXUGMQ-LBPRGKRZSA-N 1 0 314.458 4.104 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(Br)c(F)c1 ZINC000414164499 333915956 /nfs/dbraw/zinc/91/59/56/333915956.db2.gz KFWPPARWXAPMRV-SNVBAGLBSA-N 1 0 313.214 4.179 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(Oc2ccccc2)cn1 ZINC000414166030 333916213 /nfs/dbraw/zinc/91/62/13/333916213.db2.gz MWOOUDRPQDDCTO-HNNXBMFYSA-N 1 0 309.413 4.464 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414294162 333935028 /nfs/dbraw/zinc/93/50/28/333935028.db2.gz DHWPOMHOOYECNK-PKOBYXMFSA-N 1 0 311.473 4.172 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000414299011 333935759 /nfs/dbraw/zinc/93/57/59/333935759.db2.gz JDAXGRWYCSNYNC-XUVXKRRUSA-N 1 0 323.484 4.223 20 30 DIEDRO CC(C)([NH2+]CCCSCC#N)c1cccc(C(F)(F)F)c1 ZINC000266736059 333975625 /nfs/dbraw/zinc/97/56/25/333975625.db2.gz NFFUUNUMTAFVNV-UHFFFAOYSA-N 1 0 316.392 4.177 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(OCC#N)cc1 ZINC000267002430 333977929 /nfs/dbraw/zinc/97/79/29/333977929.db2.gz CZMXBXYNERHZGH-DJJJIMSYSA-N 1 0 310.372 4.066 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)CC(F)(F)F ZINC000414508809 334002216 /nfs/dbraw/zinc/00/22/16/334002216.db2.gz BRJGAEWYNDPTDT-VIFPVBQESA-N 1 0 324.268 4.255 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)cc1OC(F)F ZINC000582140572 334006241 /nfs/dbraw/zinc/00/62/41/334006241.db2.gz YCKMKKQVCSDDSU-NSHDSACASA-N 1 0 314.351 4.408 20 30 DIEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000414525883 334007171 /nfs/dbraw/zinc/00/71/71/334007171.db2.gz NHLIALRCPRVYIO-MRXNPFEDSA-N 1 0 322.456 4.084 20 30 DIEDRO CSC(C)(C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271072995 334017873 /nfs/dbraw/zinc/01/78/73/334017873.db2.gz MUDQPAKUFCVCFZ-UHFFFAOYSA-N 1 0 302.487 4.122 20 30 DIEDRO CCC[C@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000271068849 334017897 /nfs/dbraw/zinc/01/78/97/334017897.db2.gz KLBPNOIPENAEGO-INIZCTEOSA-N 1 0 310.445 4.084 20 30 DIEDRO COC(C)(C)C[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271077749 334018121 /nfs/dbraw/zinc/01/81/21/334018121.db2.gz PKJCPTPSXJESQK-VQSBYGRUSA-N 1 0 314.473 4.184 20 30 DIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000271183696 334019772 /nfs/dbraw/zinc/01/97/72/334019772.db2.gz LMZRUUNHNWLSJB-QGZVFWFLSA-N 1 0 324.472 4.139 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000271434686 334023281 /nfs/dbraw/zinc/02/32/81/334023281.db2.gz BNQBVGMNXPLREZ-FOIQADDNSA-N 1 0 306.409 4.412 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(C)c1OC(F)F ZINC000272569467 334037462 /nfs/dbraw/zinc/03/74/62/334037462.db2.gz VNTMGKGLMDFAAW-UHFFFAOYSA-N 1 0 308.372 4.031 20 30 DIEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000273338440 334045547 /nfs/dbraw/zinc/04/55/47/334045547.db2.gz VWEPZCQLRRQJIW-SECBINFHSA-N 1 0 305.369 4.142 20 30 DIEDRO Cc1csc([C@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)n1 ZINC000273533798 334048335 /nfs/dbraw/zinc/04/83/35/334048335.db2.gz VOGZTDIRYCZALS-GFCCVEGCSA-N 1 0 316.474 4.105 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276433515 334078205 /nfs/dbraw/zinc/07/82/05/334078205.db2.gz KESPCPGEBUQQCV-HXUWFJFHSA-N 1 0 312.457 4.287 20 30 DIEDRO COc1ccccc1[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000277559610 334088935 /nfs/dbraw/zinc/08/89/35/334088935.db2.gz ACNHPEIBYHXCPM-MRXNPFEDSA-N 1 0 300.446 4.205 20 30 DIEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000277628658 334089610 /nfs/dbraw/zinc/08/96/10/334089610.db2.gz GRFHWUOPNQVYDN-AEFFLSMTSA-N 1 0 300.446 4.168 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000277881962 334091802 /nfs/dbraw/zinc/09/18/02/334091802.db2.gz ZFZIEGAQHZYYAG-HOTGVXAUSA-N 1 0 320.502 4.356 20 30 DIEDRO COc1cc(C)c(C[N@H+](C)CCCCC(C)(C)C#N)cc1OC ZINC000278204186 334093510 /nfs/dbraw/zinc/09/35/10/334093510.db2.gz SJOIHWQNZVLHHG-UHFFFAOYSA-N 1 0 318.461 4.164 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000278555177 334098026 /nfs/dbraw/zinc/09/80/26/334098026.db2.gz HVLWNQTVTADDNX-DZGCQCFKSA-N 1 0 311.454 4.168 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000278599026 334098502 /nfs/dbraw/zinc/09/85/02/334098502.db2.gz DVWCFCYXADROLP-IRXDYDNUSA-N 1 0 320.864 4.480 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000278599018 334098586 /nfs/dbraw/zinc/09/85/86/334098586.db2.gz DVWCFCYXADROLP-IAGOWNOFSA-N 1 0 320.864 4.480 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000278613469 334098672 /nfs/dbraw/zinc/09/86/72/334098672.db2.gz FOMJMXMYUALPFQ-HKUYNNGSSA-N 1 0 314.473 4.464 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000278718465 334100173 /nfs/dbraw/zinc/10/01/73/334100173.db2.gz UXPQIXRCYGIJOH-PBEJRMEISA-N 1 0 302.421 4.326 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000278718439 334100244 /nfs/dbraw/zinc/10/02/44/334100244.db2.gz UXPQIXRCYGIJOH-BSIFCXSSSA-N 1 0 302.421 4.326 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000278720295 334100450 /nfs/dbraw/zinc/10/04/50/334100450.db2.gz KOXZNBQCVCDLKL-IAGOWNOFSA-N 1 0 322.399 4.104 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]CCCC1(C#N)CCOCC1)C(C)C ZINC000281142295 334123338 /nfs/dbraw/zinc/12/33/38/334123338.db2.gz AUZUSKLEZWWRMI-IBGZPJMESA-N 1 0 314.473 4.382 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000281469509 334126446 /nfs/dbraw/zinc/12/64/46/334126446.db2.gz BJULPYBKNLZEAW-UHFFFAOYSA-N 1 0 313.832 4.308 20 30 DIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000281509000 334126645 /nfs/dbraw/zinc/12/66/45/334126645.db2.gz HDERJJJYPQPLOI-OALUTQOASA-N 1 0 324.399 4.456 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000340103645 334127331 /nfs/dbraw/zinc/12/73/31/334127331.db2.gz JJAYHSPGNHAJPO-HXUWFJFHSA-N 1 0 321.424 4.005 20 30 DIEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281888631 334129287 /nfs/dbraw/zinc/12/92/87/334129287.db2.gz DPLUZAXADSJPNC-HNNXBMFYSA-N 1 0 320.864 4.433 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281893613 334129435 /nfs/dbraw/zinc/12/94/35/334129435.db2.gz FAIQTLMXYUONEB-IBGZPJMESA-N 1 0 312.457 4.384 20 30 DIEDRO CC[C@@H](C)[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282001876 334130367 /nfs/dbraw/zinc/13/03/67/334130367.db2.gz NPYAEYVCUKAZSV-GOSISDBHSA-N 1 0 314.473 4.388 20 30 DIEDRO C[N@H+](CCCCc1ccccc1)CCCC1(C#N)CCOCC1 ZINC000282001287 334130390 /nfs/dbraw/zinc/13/03/90/334130390.db2.gz NMZNXRQPPLBZBV-UHFFFAOYSA-N 1 0 314.473 4.042 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]CCCC1(C#N)CCOCC1 ZINC000282012102 334130500 /nfs/dbraw/zinc/13/05/00/334130500.db2.gz JSGORRMJLRGDEK-OAHLLOKOSA-N 1 0 318.486 4.160 20 30 DIEDRO CCc1ccc([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000282011293 334130501 /nfs/dbraw/zinc/13/05/01/334130501.db2.gz OKUNHDXWBOJEBH-MRXNPFEDSA-N 1 0 300.446 4.000 20 30 DIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1 ZINC000282016111 334130561 /nfs/dbraw/zinc/13/05/61/334130561.db2.gz OVZRJPIDVZIIAT-UHFFFAOYSA-N 1 0 318.436 4.138 20 30 DIEDRO CC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(Cl)c1 ZINC000282057400 334130964 /nfs/dbraw/zinc/13/09/64/334130964.db2.gz RXHBHAMUAMVYAA-KRWDZBQOSA-N 1 0 320.864 4.481 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OC(F)F)cc1 ZINC000282069774 334131027 /nfs/dbraw/zinc/13/10/27/334131027.db2.gz BTTVIDSUXTZTDV-HSBZDZAISA-N 1 0 308.372 4.269 20 30 DIEDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000282132354 334131905 /nfs/dbraw/zinc/13/19/05/334131905.db2.gz YXYACQUHKWLRII-LJQANCHMSA-N 1 0 314.473 4.040 20 30 DIEDRO Cc1ccc([C@H](C)[N@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282143109 334132015 /nfs/dbraw/zinc/13/20/15/334132015.db2.gz ZRRNWSHUXRISNL-KRWDZBQOSA-N 1 0 300.446 4.088 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000282464271 334134923 /nfs/dbraw/zinc/13/49/23/334134923.db2.gz UEWVJHUDXBOVQF-UHFFFAOYSA-N 1 0 314.326 4.264 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000282773758 334136990 /nfs/dbraw/zinc/13/69/90/334136990.db2.gz PDFUTLRNOQLABJ-KBPBESRZSA-N 1 0 308.372 4.065 20 30 DIEDRO CC(C)SCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000287045433 334156067 /nfs/dbraw/zinc/15/60/67/334156067.db2.gz MNRXXKVUPJOAJN-UHFFFAOYSA-N 1 0 302.487 4.122 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287217695 334156667 /nfs/dbraw/zinc/15/66/67/334156667.db2.gz FWQRGRMSWMDNJK-UXLLHSPISA-N 1 0 307.397 4.217 20 30 DIEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCOC(C)(C)C1 ZINC000289923768 334169550 /nfs/dbraw/zinc/16/95/50/334169550.db2.gz UMLRWGULGASEEA-KRWDZBQOSA-N 1 0 314.473 4.267 20 30 DIEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CCCCC#N)cc1 ZINC000290064131 334170779 /nfs/dbraw/zinc/17/07/79/334170779.db2.gz FIXFSQFCBIAMEJ-FQEVSTJZSA-N 1 0 308.425 4.262 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290101502 334170864 /nfs/dbraw/zinc/17/08/64/334170864.db2.gz ITCHHAXCTYJOOG-SFHVURJKSA-N 1 0 312.457 4.000 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414910722 334173364 /nfs/dbraw/zinc/17/33/64/334173364.db2.gz GATLWZSXZPXDKR-IBGZPJMESA-N 1 0 308.425 4.001 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1OCCc2sccc21 ZINC000292450643 334188268 /nfs/dbraw/zinc/18/82/68/334188268.db2.gz PKTDFORVNKZCAR-CZUORRHYSA-N 1 0 306.475 4.060 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1OCCc2sccc21 ZINC000292450645 334188274 /nfs/dbraw/zinc/18/82/74/334188274.db2.gz PKTDFORVNKZCAR-XJKSGUPXSA-N 1 0 306.475 4.060 20 30 DIEDRO N#C[C@H]1CC[C@H]([N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827690 334193016 /nfs/dbraw/zinc/19/30/16/334193016.db2.gz ONQVFEZDTCPABT-BBRMVZONSA-N 1 0 309.388 4.088 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292872458 334193559 /nfs/dbraw/zinc/19/35/59/334193559.db2.gz XGIPZKWKGMCXQA-GOSISDBHSA-N 1 0 314.473 4.200 20 30 DIEDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](C#N)CCC#N ZINC000293159939 334196273 /nfs/dbraw/zinc/19/62/73/334196273.db2.gz UUZQGVSQGHFHTM-FUHWJXTLSA-N 1 0 317.864 4.330 20 30 DIEDRO C[C@@H](c1cccs1)[N@H+](CCOCCC#N)Cc1ccccc1 ZINC000293293417 334196861 /nfs/dbraw/zinc/19/68/61/334196861.db2.gz ZCZBLQVEFPWGNN-INIZCTEOSA-N 1 0 314.454 4.242 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000340430457 334198956 /nfs/dbraw/zinc/19/89/56/334198956.db2.gz UKJHESAWJHCXJZ-HNNXBMFYSA-N 1 0 300.446 4.066 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(OCC#N)cc1 ZINC000293584941 334199341 /nfs/dbraw/zinc/19/93/41/334199341.db2.gz CGNIMYUPDBPZFB-LSBZLQRGSA-N 1 0 324.399 4.325 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(OCC#N)cc1 ZINC000293584924 334199396 /nfs/dbraw/zinc/19/93/96/334199396.db2.gz CGNIMYUPDBPZFB-FNHZYXHNSA-N 1 0 324.399 4.325 20 30 DIEDRO C=C(C[NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000340437177 334201003 /nfs/dbraw/zinc/20/10/03/334201003.db2.gz OKNFDLOKDDVZKY-UHFFFAOYSA-N 1 0 307.422 4.008 20 30 DIEDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CCO1 ZINC000340444268 334203150 /nfs/dbraw/zinc/20/31/50/334203150.db2.gz HWEYPFLZEXJVID-FHWLQOOXSA-N 1 0 300.446 4.215 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1(C)C ZINC000340449209 334204048 /nfs/dbraw/zinc/20/40/48/334204048.db2.gz UBDLCJQSJPNVOX-RCCFBDPRSA-N 1 0 300.446 4.215 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C12CCC2 ZINC000340448014 334204463 /nfs/dbraw/zinc/20/44/63/334204463.db2.gz INENYVATBZDLLV-CEXWTWQISA-N 1 0 312.457 4.359 20 30 DIEDRO Cc1ncc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c(C)n1 ZINC000340449709 334205487 /nfs/dbraw/zinc/20/54/87/334205487.db2.gz WAAMBFIHWGCRIC-HNAYVOBHSA-N 1 0 308.429 4.179 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000295124173 334219085 /nfs/dbraw/zinc/21/90/85/334219085.db2.gz WZXVACKJDXHBHK-GWCFXTLKSA-N 1 0 314.763 4.113 20 30 DIEDRO CC(F)(F)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000296179774 334230427 /nfs/dbraw/zinc/23/04/27/334230427.db2.gz XSDQJTXCKILHMP-UHFFFAOYSA-N 1 0 306.400 4.416 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Br)c1 ZINC000296560328 334235052 /nfs/dbraw/zinc/23/50/52/334235052.db2.gz SFPOBKKSDXLOMO-XUJVJEKNSA-N 1 0 307.235 4.182 20 30 DIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000298360792 334247993 /nfs/dbraw/zinc/24/79/93/334247993.db2.gz FZCHTENOUHBGIF-DLBZAZTESA-N 1 0 324.472 4.489 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000299646157 334256987 /nfs/dbraw/zinc/25/69/87/334256987.db2.gz KRIJBRCGXZVCRM-HZPDHXFCSA-N 1 0 321.424 4.282 20 30 DIEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)cc1OC ZINC000299731367 334257746 /nfs/dbraw/zinc/25/77/46/334257746.db2.gz XDEZDNWVJIWPFX-HUUCEWRRSA-N 1 0 304.434 4.217 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)N1CCc2c3ccccc3[nH]c2C1 ZINC000187706405 334269399 /nfs/dbraw/zinc/26/93/99/334269399.db2.gz PHPQADXJPSCCGX-AWEZNQCLSA-N 1 0 301.393 4.159 20 30 DIEDRO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C(C)C ZINC000571658352 334282355 /nfs/dbraw/zinc/28/23/55/334282355.db2.gz YJYMEUWHEOYLFK-UHFFFAOYSA-N 1 0 310.445 4.084 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000442995595 338441284 /nfs/dbraw/zinc/44/12/84/338441284.db2.gz UKOGJBSLTTVSEH-SFHVURJKSA-N 1 0 313.372 4.004 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1OC ZINC000048714808 334297555 /nfs/dbraw/zinc/29/75/55/334297555.db2.gz XTTORLQAOISZGG-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303962000 334350521 /nfs/dbraw/zinc/35/05/21/334350521.db2.gz ZYWAUSYCEPUNDD-RBUKOAKNSA-N 1 0 312.457 4.118 20 30 DIEDRO CCC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccsc1 ZINC000443105452 338444834 /nfs/dbraw/zinc/44/48/34/338444834.db2.gz PNHASGPPVVGJAO-QGZVFWFLSA-N 1 0 300.427 4.130 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C[C@H]2CCCOC2)C(C)(C)C)cc1 ZINC000532021977 334376649 /nfs/dbraw/zinc/37/66/49/334376649.db2.gz HNUBKNOYTGBVFC-GOSISDBHSA-N 1 0 317.473 4.279 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000341596907 334460180 /nfs/dbraw/zinc/46/01/80/334460180.db2.gz NASXXYLZKJYIEH-SUMWQHHRSA-N 1 0 316.470 4.096 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341761532 334478370 /nfs/dbraw/zinc/47/83/70/334478370.db2.gz PPHGBVNELFQZNW-LJQANCHMSA-N 1 0 308.450 4.447 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCn1cccn1)c1ccc(C(F)(F)F)cc1 ZINC000342188081 334515661 /nfs/dbraw/zinc/51/56/61/334515661.db2.gz BRROYVWSTHYSOJ-MRXNPFEDSA-N 1 0 323.362 4.199 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cncn1C)c1ccc(C(F)(F)F)cc1 ZINC000342188087 334515684 /nfs/dbraw/zinc/51/56/84/334515684.db2.gz BTMMSBHSTHMYTQ-MRXNPFEDSA-N 1 0 323.362 4.236 20 30 DIEDRO N#CCc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000342713564 334568011 /nfs/dbraw/zinc/56/80/11/334568011.db2.gz SWHKYPMGYQOQJU-UHFFFAOYSA-N 1 0 312.457 4.066 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1OC ZINC000342782218 334570475 /nfs/dbraw/zinc/57/04/75/334570475.db2.gz OJOCDTDZNYWNMA-GOSISDBHSA-N 1 0 306.409 4.297 20 30 DIEDRO CC1(C)Cc2occc2[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000342774325 334575454 /nfs/dbraw/zinc/57/54/54/334575454.db2.gz FDRPYRQPWCIUQO-KRWDZBQOSA-N 1 0 306.409 4.444 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000342812631 334579401 /nfs/dbraw/zinc/57/94/01/334579401.db2.gz BRGHCQKAJTXOGC-LJQANCHMSA-N 1 0 306.409 4.297 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415571543 334615431 /nfs/dbraw/zinc/61/54/31/334615431.db2.gz ACOBVJSNFUGSEP-UHFFFAOYSA-N 1 0 317.477 4.178 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C[NH3+])CCCC ZINC000415586856 334615884 /nfs/dbraw/zinc/61/58/84/334615884.db2.gz WBQVQBIEBKSIFJ-INIZCTEOSA-N 1 0 317.477 4.178 20 30 DIEDRO C=CCC[C@@H](NC(=O)Nc1ccccc1C[NH2+]C)c1ccccc1 ZINC000415903694 334626591 /nfs/dbraw/zinc/62/65/91/334626591.db2.gz AOQAXZXHFMEZCF-GOSISDBHSA-N 1 0 323.440 4.235 20 30 DIEDRO C=CCC[C@H](NC(=O)Nc1ccccc1C[NH2+]C)c1ccccc1 ZINC000415903699 334626753 /nfs/dbraw/zinc/62/67/53/334626753.db2.gz AOQAXZXHFMEZCF-SFHVURJKSA-N 1 0 323.440 4.235 20 30 DIEDRO Cc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1Br ZINC000441353065 334703197 /nfs/dbraw/zinc/70/31/97/334703197.db2.gz GDRHZNYPQSCIPA-UHFFFAOYSA-N 1 0 321.262 4.177 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417321286 334708412 /nfs/dbraw/zinc/70/84/12/334708412.db2.gz SGFLGFXWEHEWJB-RRQGHBQHSA-N 1 0 308.450 4.391 20 30 DIEDRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417359536 334716531 /nfs/dbraw/zinc/71/65/31/334716531.db2.gz GRENYJYNWVMBJW-IFXJQAMLSA-N 1 0 305.425 4.244 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cnn1C(C)C ZINC000417365721 334740672 /nfs/dbraw/zinc/74/06/72/334740672.db2.gz MHPNBPXWQNDXRI-XOBRGWDASA-N 1 0 322.456 4.372 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000417368526 334764400 /nfs/dbraw/zinc/76/44/00/334764400.db2.gz PXJCSBBKGXJQRO-MOPGFXCFSA-N 1 0 324.374 4.491 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000417370760 334764730 /nfs/dbraw/zinc/76/47/30/334764730.db2.gz STNBHPINGBTKNL-WOJBJXKFSA-N 1 0 318.420 4.308 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)ccc1C#N ZINC000443960438 338464395 /nfs/dbraw/zinc/46/43/95/338464395.db2.gz GORVKLCEPOXCKV-QGZVFWFLSA-N 1 0 312.413 4.333 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000443998949 338466383 /nfs/dbraw/zinc/46/63/83/338466383.db2.gz AXZKSICWPXXARW-VQTJNVASSA-N 1 0 324.399 4.016 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCCOc3c(F)cccc32)ccc1C#N ZINC000444001553 338466498 /nfs/dbraw/zinc/46/64/98/338466498.db2.gz IDVRHELKVXEWGV-SFHVURJKSA-N 1 0 310.372 4.009 20 30 DIEDRO N#CCCCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426012474 334901395 /nfs/dbraw/zinc/90/13/95/334901395.db2.gz FKJHUZYTMZMUJY-GOSISDBHSA-N 1 0 313.832 4.302 20 30 DIEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC000343622943 335182397 /nfs/dbraw/zinc/18/23/97/335182397.db2.gz MRELVPHHTWVQSU-KRWDZBQOSA-N 1 0 312.388 4.402 20 30 DIEDRO C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1cccc(C#N)c1 ZINC000344175830 335227453 /nfs/dbraw/zinc/22/74/53/335227453.db2.gz SXIUQXFICQKZTO-ZDUSSCGKSA-N 1 0 307.372 4.072 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cc(-n2ccnc2)cs1)c1ccccc1 ZINC000344298533 335238207 /nfs/dbraw/zinc/23/82/07/335238207.db2.gz FHCNBNDFDROIHX-SFHVURJKSA-N 1 0 322.437 4.068 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[C@@H]1OC ZINC000344328677 335240948 /nfs/dbraw/zinc/24/09/48/335240948.db2.gz LZXBNGCCOKFSJO-KSZLIROESA-N 1 0 300.446 4.215 20 30 DIEDRO CCCC1(C[NH2+]Cc2cccc(OCCCC#N)c2)CCC1 ZINC000344769619 335276256 /nfs/dbraw/zinc/27/62/56/335276256.db2.gz GJTCQDZADOXHSQ-UHFFFAOYSA-N 1 0 300.446 4.429 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000345019456 335291961 /nfs/dbraw/zinc/29/19/61/335291961.db2.gz MMDOKTSCWLDBCK-HNNXBMFYSA-N 1 0 309.335 4.226 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)CCOCC1 ZINC000366889756 335301773 /nfs/dbraw/zinc/30/17/73/335301773.db2.gz XZSNDIKZDXNDNC-XTXLJPNXSA-N 1 0 324.468 4.265 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000444664961 338480122 /nfs/dbraw/zinc/48/01/22/338480122.db2.gz OUPBUOQUYCXKBO-KZNAEPCWSA-N 1 0 305.510 4.044 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CC(C)(C)CCC#N)ccc1SC ZINC000348235352 335572714 /nfs/dbraw/zinc/57/27/14/335572714.db2.gz ZJEJBOPSQUCPCI-ZDUSSCGKSA-N 1 0 306.475 4.398 20 30 DIEDRO C=CC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000348812032 335608679 /nfs/dbraw/zinc/60/86/79/335608679.db2.gz UWPTUMNUNCMZJE-LLVKDONJSA-N 1 0 308.141 4.218 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000314648454 335647791 /nfs/dbraw/zinc/64/77/91/335647791.db2.gz GCBYUFZCUNDEJN-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000323903569 335668346 /nfs/dbraw/zinc/66/83/46/335668346.db2.gz ZJJBFKDWNQBKFW-LAUBAEHRSA-N 1 0 321.468 4.292 20 30 DIEDRO C=C[C@](C)(CC)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000583589588 335752412 /nfs/dbraw/zinc/75/24/12/335752412.db2.gz AKHSKIKTQOQFFC-LJQANCHMSA-N 1 0 311.429 4.186 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1 ZINC000532207359 335917814 /nfs/dbraw/zinc/91/78/14/335917814.db2.gz BYFPSGPMBJVKGW-QWRGUYRKSA-N 1 0 304.315 4.387 20 30 DIEDRO CCC1(CC)CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332246346 336164838 /nfs/dbraw/zinc/16/48/38/336164838.db2.gz XBSYAALSRBJDOP-KRWDZBQOSA-N 1 0 313.445 4.427 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000532466426 336249274 /nfs/dbraw/zinc/24/92/74/336249274.db2.gz QBHMDENUVCZUIL-BZUAXINKSA-N 1 0 308.425 4.410 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000532492939 336250729 /nfs/dbraw/zinc/25/07/29/336250729.db2.gz ZOJJXUZUIMDEPJ-HNNXBMFYSA-N 1 0 312.388 4.159 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000532514505 336253194 /nfs/dbraw/zinc/25/31/94/336253194.db2.gz AFEPDZIVHYTARP-SFTDATJTSA-N 1 0 312.501 4.343 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2cccc(Cl)c2Cl)c(F)c1 ZINC000532587959 336256699 /nfs/dbraw/zinc/25/66/99/336256699.db2.gz AWFLBGWKPVZCTR-UHFFFAOYSA-N 1 0 323.198 4.336 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(C#N)cc1 ZINC000192754366 336260579 /nfs/dbraw/zinc/26/05/79/336260579.db2.gz KRMZDIKTZIMWEV-KKSFZXQISA-N 1 0 313.404 4.393 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192759177 336260663 /nfs/dbraw/zinc/26/06/63/336260663.db2.gz GBJFUVCQGBSAFM-INWMFGNUSA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H]1Oc2ccccc2[C@@H]1C ZINC000580366871 336260847 /nfs/dbraw/zinc/26/08/47/336260847.db2.gz GHYPAJDBVMCFGH-YEEBJNCVSA-N 1 0 318.420 4.088 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CCO1 ZINC000580381725 336262931 /nfs/dbraw/zinc/26/29/31/336262931.db2.gz SJSUVQIQHVETNW-SXLOBPIMSA-N 1 0 312.457 4.119 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c(F)c1 ZINC000104704237 336265091 /nfs/dbraw/zinc/26/50/91/336265091.db2.gz DHSYXBJTVCINLT-LJQANCHMSA-N 1 0 312.363 4.467 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000532748438 336269577 /nfs/dbraw/zinc/26/95/77/336269577.db2.gz TYILYIJTGVKZMV-UHFFFAOYSA-N 1 0 306.384 4.377 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000532785452 336271053 /nfs/dbraw/zinc/27/10/53/336271053.db2.gz UQLLPKOSGVBXGX-IPJUCJBFSA-N 1 0 310.441 4.194 20 30 DIEDRO Cc1ccccc1[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941920 336275283 /nfs/dbraw/zinc/27/52/83/336275283.db2.gz YNMMWJITYOVWHN-UZLBHIALSA-N 1 0 306.409 4.001 20 30 DIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC000192909286 336284144 /nfs/dbraw/zinc/28/41/44/336284144.db2.gz VODNTKKZRHJYSZ-LAUBAEHRSA-N 1 0 319.452 4.046 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000192988622 336286592 /nfs/dbraw/zinc/28/65/92/336286592.db2.gz KDZWPIHEQPSMKH-JKSUJKDBSA-N 1 0 308.425 4.239 20 30 DIEDRO N#Cc1cc(F)ccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000301173162 336293235 /nfs/dbraw/zinc/29/32/35/336293235.db2.gz HFGZSDOALFABRO-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000301225038 336295607 /nfs/dbraw/zinc/29/56/07/336295607.db2.gz CYSUYXSWMUULAB-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000301320879 336300554 /nfs/dbraw/zinc/30/05/54/336300554.db2.gz SKMSMQGYRCAEMC-HNNXBMFYSA-N 1 0 323.415 4.335 20 30 DIEDRO N#Cc1ccc(NC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000301454444 336307703 /nfs/dbraw/zinc/30/77/03/336307703.db2.gz BJMKEVNEVWAKMU-UHFFFAOYSA-N 1 0 317.864 4.421 20 30 DIEDRO N#Cc1ccc(Cl)cc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000301486804 336309902 /nfs/dbraw/zinc/30/99/02/336309902.db2.gz YBDNIKNDMLAQCV-UHFFFAOYSA-N 1 0 317.864 4.421 20 30 DIEDRO N#Cc1cc(F)ccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000301495238 336310299 /nfs/dbraw/zinc/31/02/99/336310299.db2.gz APTCGUJERINPPR-INIZCTEOSA-N 1 0 315.417 4.008 20 30 DIEDRO Cc1ccc(CCNc2c(C#N)cnc3ccc(Cl)cc32)cn1 ZINC000301545014 336313890 /nfs/dbraw/zinc/31/38/90/336313890.db2.gz DGLCZHQTCOBQNN-UHFFFAOYSA-N 1 0 322.799 4.118 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(C#N)cc2)CC1 ZINC000301657315 336321214 /nfs/dbraw/zinc/32/12/14/336321214.db2.gz IMBADTOHMUUJSG-QGZVFWFLSA-N 1 0 311.473 4.039 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000314772149 336385770 /nfs/dbraw/zinc/38/57/70/336385770.db2.gz WWHMZHYRMDUDPV-INIZCTEOSA-N 1 0 304.315 4.342 20 30 DIEDRO CCCC[C@@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000563950452 336388169 /nfs/dbraw/zinc/38/81/69/336388169.db2.gz KOXBLJBHRBGTRP-QGZVFWFLSA-N 1 0 324.472 4.474 20 30 DIEDRO C[C@H](C[NH+]1CCC(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000582253124 336395461 /nfs/dbraw/zinc/39/54/61/336395461.db2.gz GVDOWYKYDNRQOK-CYBMUJFWSA-N 1 0 310.363 4.435 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](CC)c2nc(C)cs2)cc1 ZINC000113338044 336400603 /nfs/dbraw/zinc/40/06/03/336400603.db2.gz CDLPBTYDHYCEIC-QGZVFWFLSA-N 1 0 314.454 4.095 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)ccc1F ZINC000353415205 336416360 /nfs/dbraw/zinc/41/63/60/336416360.db2.gz FMIWQRQMGCHKEF-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)ccc1C#N ZINC000353617244 336429028 /nfs/dbraw/zinc/42/90/28/336429028.db2.gz CXCWGDNHBVOAGW-IBGZPJMESA-N 1 0 320.436 4.469 20 30 DIEDRO CC[C@@H]1C[C@@H](C[NH2+][C@@H](CCCC#N)c2ccccc2)CCO1 ZINC000353911366 336447520 /nfs/dbraw/zinc/44/75/20/336447520.db2.gz BMFZBCVXMOBMIH-UHOSZYNNSA-N 1 0 300.446 4.216 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000353914024 336447671 /nfs/dbraw/zinc/44/76/71/336447671.db2.gz KIFVRNSPPKQEKN-GOSISDBHSA-N 1 0 300.352 4.490 20 30 DIEDRO Cc1ccn2c(C[NH2+][C@@H](CCCC#N)c3ccccc3)cnc2c1 ZINC000353914859 336447819 /nfs/dbraw/zinc/44/78/19/336447819.db2.gz LSVKMMODOLXDMH-IBGZPJMESA-N 1 0 318.424 4.168 20 30 DIEDRO Cc1ccn2c(C[NH2+][C@H](CCCC#N)c3ccccc3)cnc2c1 ZINC000353914875 336447879 /nfs/dbraw/zinc/44/78/79/336447879.db2.gz LSVKMMODOLXDMH-LJQANCHMSA-N 1 0 318.424 4.168 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000353916285 336448111 /nfs/dbraw/zinc/44/81/11/336448111.db2.gz PVEAZWRQICLIAU-SFHVURJKSA-N 1 0 304.397 4.088 20 30 DIEDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000354650666 336477594 /nfs/dbraw/zinc/47/75/94/336477594.db2.gz LCZARNYJSKPNFT-CQSZACIVSA-N 1 0 314.351 4.190 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3occc32)c(C(F)(F)F)c1 ZINC000356167089 336539154 /nfs/dbraw/zinc/53/91/54/336539154.db2.gz OWYPWVULLBCNCC-OAHLLOKOSA-N 1 0 320.314 4.337 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)C(C)(C)C ZINC000357319842 336580382 /nfs/dbraw/zinc/58/03/82/336580382.db2.gz XCXOKFYVEFRVSW-SFHVURJKSA-N 1 0 318.461 4.292 20 30 DIEDRO C=C(C)COCC[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000358300401 336622645 /nfs/dbraw/zinc/62/26/45/336622645.db2.gz OWFKKPIALAYKOV-INIZCTEOSA-N 1 0 309.837 4.044 20 30 DIEDRO Cc1ccsc1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000358517955 336633276 /nfs/dbraw/zinc/63/32/76/336633276.db2.gz QNHHIWCPLTXZBG-UHFFFAOYSA-N 1 0 314.454 4.071 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccnc1 ZINC000358560741 336634567 /nfs/dbraw/zinc/63/45/67/336634567.db2.gz FUXFSZFYVYOMFF-KDOFPFPSSA-N 1 0 311.404 4.183 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358579565 336635421 /nfs/dbraw/zinc/63/54/21/336635421.db2.gz WSXUCUDRYSWPGE-XCLFUZPHSA-N 1 0 324.399 4.434 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000360656152 336717610 /nfs/dbraw/zinc/71/76/10/336717610.db2.gz GFJUYXNCFRUOSH-MJGOQNOKSA-N 1 0 310.441 4.017 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C1CCOCC1 ZINC000360657082 336717687 /nfs/dbraw/zinc/71/76/87/336717687.db2.gz LVYPBFATIUUKPY-WOJBJXKFSA-N 1 0 312.457 4.121 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCC(F)(F)CC1 ZINC000360663237 336718242 /nfs/dbraw/zinc/71/82/42/336718242.db2.gz JNAXDIWNEDEVNO-QGZVFWFLSA-N 1 0 304.384 4.493 20 30 DIEDRO CC(C)OCCCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360871952 336725031 /nfs/dbraw/zinc/72/50/31/336725031.db2.gz LDKWVBPDFWTGAB-LJQANCHMSA-N 1 0 300.446 4.121 20 30 DIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000367624734 336826776 /nfs/dbraw/zinc/82/67/76/336826776.db2.gz WWLNBURPWJTSBD-CEXWTWQISA-N 1 0 314.473 4.257 20 30 DIEDRO C[C@H]([NH2+]Cc1ccncc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367829534 336830344 /nfs/dbraw/zinc/83/03/44/336830344.db2.gz YOZXHACFECFMDL-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000368030988 336835980 /nfs/dbraw/zinc/83/59/80/336835980.db2.gz RESXMZWESJCCTP-INIZCTEOSA-N 1 0 315.420 4.013 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000368439046 336844688 /nfs/dbraw/zinc/84/46/88/336844688.db2.gz QEKJBDCAZXLJSP-UHFFFAOYSA-N 1 0 324.472 4.462 20 30 DIEDRO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374692296 336995200 /nfs/dbraw/zinc/99/52/00/336995200.db2.gz GSQXMNNKNGPIES-HNNXBMFYSA-N 1 0 301.393 4.404 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccco1 ZINC000375842897 337021128 /nfs/dbraw/zinc/02/11/28/337021128.db2.gz XANBAVRCJWVMNW-MSOLQXFVSA-N 1 0 324.424 4.374 20 30 DIEDRO CC[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(C#N)cc1 ZINC000376133204 337028013 /nfs/dbraw/zinc/02/80/13/337028013.db2.gz SOPCMMXFBDSKKC-GOSISDBHSA-N 1 0 305.425 4.116 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1CC(C)(C)CCC#N ZINC000377866055 337062875 /nfs/dbraw/zinc/06/28/75/337062875.db2.gz VXLHOMZWLQRSBO-MRXNPFEDSA-N 1 0 302.466 4.274 20 30 DIEDRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCCCC#N)cc1F ZINC000378169664 337067644 /nfs/dbraw/zinc/06/76/44/337067644.db2.gz PTSSBOZIVACLHZ-RDJZCZTQSA-N 1 0 304.409 4.144 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(-c2ccncc2)cc1 ZINC000173571282 337136559 /nfs/dbraw/zinc/13/65/59/337136559.db2.gz ORIBDTYRXMXXBZ-AWEZNQCLSA-N 1 0 303.365 4.064 20 30 DIEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)c1 ZINC000174811507 337143528 /nfs/dbraw/zinc/14/35/28/337143528.db2.gz UEZLJRIAUXSAIF-KRWDZBQOSA-N 1 0 316.445 4.171 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000177910339 337158879 /nfs/dbraw/zinc/15/88/79/337158879.db2.gz KXWQRDPUDDGGEL-ZDUSSCGKSA-N 1 0 312.379 4.006 20 30 DIEDRO COc1ccccc1C1(C[NH2+]CC(C)(C)CCC#N)CCC1 ZINC000185296683 337203994 /nfs/dbraw/zinc/20/39/94/337203994.db2.gz OAOFCYXLATXCDY-UHFFFAOYSA-N 1 0 300.446 4.036 20 30 DIEDRO COc1ccc2nc(CN(CCC#N)CC(C)(C)C)sc2c1 ZINC000187068706 337261532 /nfs/dbraw/zinc/26/15/32/337261532.db2.gz AEABICRIGRPZCH-UHFFFAOYSA-N 1 0 317.458 4.067 20 30 DIEDRO C[C@@H]1CCCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000187515977 337266581 /nfs/dbraw/zinc/26/65/81/337266581.db2.gz JKUQMTHAEOLEPC-QGZVFWFLSA-N 1 0 322.456 4.086 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)c1 ZINC000188880247 337275899 /nfs/dbraw/zinc/27/58/99/337275899.db2.gz FHQQFZLPXFBHLA-LJQANCHMSA-N 1 0 309.409 4.173 20 30 DIEDRO Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cn2)c1 ZINC000583242278 337285764 /nfs/dbraw/zinc/28/57/64/337285764.db2.gz YNQMCLJVNWECOW-WMZOPIPTSA-N 1 0 321.424 4.273 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000583266770 337296486 /nfs/dbraw/zinc/29/64/86/337296486.db2.gz WDUPZEFRSVHFLF-IBGZPJMESA-N 1 0 321.380 4.097 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192151314 337303243 /nfs/dbraw/zinc/30/32/43/337303243.db2.gz XNOVEBOFTHKAER-GOSISDBHSA-N 1 0 312.388 4.337 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(-c2ccncc2)cc1 ZINC000192923251 337307590 /nfs/dbraw/zinc/30/75/90/337307590.db2.gz CLUHTFQHBGZPMF-FTRWYGJKSA-N 1 0 305.425 4.482 20 30 DIEDRO Cc1cccc([C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000584433792 337325437 /nfs/dbraw/zinc/32/54/37/337325437.db2.gz QCKRZTNZQVJCLV-QGZVFWFLSA-N 1 0 308.425 4.076 20 30 DIEDRO CC1(C)[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1Oc1ccccc1 ZINC000583803275 337335048 /nfs/dbraw/zinc/33/50/48/337335048.db2.gz ZVLVSDYNZOQMFZ-LRMJVLKBSA-N 1 0 312.457 4.152 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000584558969 337361071 /nfs/dbraw/zinc/36/10/71/337361071.db2.gz UVPYZYOIJAQBGT-VQIMIIECSA-N 1 0 324.399 4.132 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000105492331 337386809 /nfs/dbraw/zinc/38/68/09/337386809.db2.gz LXPZNYKXSBSBHW-MNNVXMFVSA-N 1 0 306.409 4.013 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000514682795 337389525 /nfs/dbraw/zinc/38/95/25/337389525.db2.gz WZMYLOVPAKPJGX-UHFFFAOYSA-N 1 0 313.363 4.416 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)C ZINC000532926435 337393132 /nfs/dbraw/zinc/39/31/32/337393132.db2.gz BEVXRXFGPUTRQW-MRXNPFEDSA-N 1 0 318.486 4.024 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000194621603 337462934 /nfs/dbraw/zinc/46/29/34/337462934.db2.gz GPFBPFRXSYZDDN-QFBILLFUSA-N 1 0 322.456 4.132 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1F ZINC000421347411 337527822 /nfs/dbraw/zinc/52/78/22/337527822.db2.gz CHYUHEOZTCQKIT-JTQLQIEISA-N 1 0 306.431 4.332 20 30 DIEDRO CC[NH+](CC)Cc1ccc(NCc2ccc(C#N)c(F)c2)cc1 ZINC000421393147 337530501 /nfs/dbraw/zinc/53/05/01/337530501.db2.gz OIXUWOPUOFWWEZ-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000421370988 337533019 /nfs/dbraw/zinc/53/30/19/337533019.db2.gz XJXPSBHQWDEMBS-RISCZKNCSA-N 1 0 314.326 4.156 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000066905087 337542987 /nfs/dbraw/zinc/54/29/87/337542987.db2.gz TVKGRAAJPVJMIH-UHFFFAOYSA-N 1 0 318.376 4.020 20 30 DIEDRO Cc1cccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccccn2)c1 ZINC000249047022 337569357 /nfs/dbraw/zinc/56/93/57/337569357.db2.gz WJPWYYLSYYZRMX-KPFFTGBYSA-N 1 0 305.425 4.151 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cc(C)c(C)cc2C)ccc1C#N ZINC000572023590 337587019 /nfs/dbraw/zinc/58/70/19/337587019.db2.gz KPNIVUMADISZCQ-MRXNPFEDSA-N 1 0 308.425 4.343 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](CCOC)c2ccc(C)o2)c1 ZINC000272335871 337648103 /nfs/dbraw/zinc/64/81/03/337648103.db2.gz SIIFJPXZPRKPGT-SFHVURJKSA-N 1 0 315.413 4.020 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1F)C(C)C ZINC000421848741 337654742 /nfs/dbraw/zinc/65/47/42/337654742.db2.gz AVOTYTIYEKUPQA-KYNGSXCRSA-N 1 0 321.436 4.102 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000273507211 337655529 /nfs/dbraw/zinc/65/55/29/337655529.db2.gz REIDNCMYTFFOHX-QKLQHJQFSA-N 1 0 317.473 4.256 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)s1 ZINC000421871792 337657377 /nfs/dbraw/zinc/65/73/77/337657377.db2.gz GEXBPOHEXCZHBZ-KRWDZBQOSA-N 1 0 307.422 4.268 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc([N+](=O)[O-])c1 ZINC000421882444 337658728 /nfs/dbraw/zinc/65/87/28/337658728.db2.gz PREAFTPLFHFZGO-MRXNPFEDSA-N 1 0 315.398 4.159 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1F ZINC000423338957 337712883 /nfs/dbraw/zinc/71/28/83/337712883.db2.gz BDJSWVLLBDBEKJ-BLVKFPJESA-N 1 0 309.388 4.008 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000423340642 337712944 /nfs/dbraw/zinc/71/29/44/337712944.db2.gz BZFSSYBNIGXAHQ-CWTRNNRKSA-N 1 0 309.388 4.008 20 30 DIEDRO CCC[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)OCC ZINC000527935581 337776893 /nfs/dbraw/zinc/77/68/93/337776893.db2.gz WJQZQCBVTXYGEE-GPJFCIFZSA-N 1 0 314.473 4.185 20 30 DIEDRO CCC[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)OCC ZINC000527935582 337776920 /nfs/dbraw/zinc/77/69/20/337776920.db2.gz WJQZQCBVTXYGEE-IOJLRTSASA-N 1 0 314.473 4.185 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000424167005 337789692 /nfs/dbraw/zinc/78/96/92/337789692.db2.gz DDXRAGOBZQGHQO-GUYCJALGSA-N 1 0 317.429 4.235 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1ccnc2ccccc12)c1ccccc1 ZINC000533038103 337807534 /nfs/dbraw/zinc/80/75/34/337807534.db2.gz XWDMSZZIYBYILL-LJQANCHMSA-N 1 0 301.393 4.369 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(OCCC)c1 ZINC000424203721 337808972 /nfs/dbraw/zinc/80/89/72/337808972.db2.gz USFNAISKJBIMAO-DOTOQJQBSA-N 1 0 316.445 4.046 20 30 DIEDRO COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424204968 337809269 /nfs/dbraw/zinc/80/92/69/337809269.db2.gz VWKILROIQSCBJN-FUHWJXTLSA-N 1 0 306.409 4.144 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000424295451 337816958 /nfs/dbraw/zinc/81/69/58/337816958.db2.gz MTDOCMUWZMQYNP-ZETOZRRWSA-N 1 0 300.229 4.235 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cnn1-c1cc(C)ccc1C ZINC000424323449 337820578 /nfs/dbraw/zinc/82/05/78/337820578.db2.gz JDKVPVKCMDTOTO-BPQIPLTHSA-N 1 0 322.456 4.140 20 30 DIEDRO COc1ccc([C@H]2CCCC[C@H]2[NH2+][C@@H]2CC[C@H](C#N)C2)cc1F ZINC000424328483 337821659 /nfs/dbraw/zinc/82/16/59/337821659.db2.gz ODOJLCIYOCFJAN-AAJLLMFJSA-N 1 0 316.420 4.142 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000424334409 337822500 /nfs/dbraw/zinc/82/25/00/337822500.db2.gz VLXNLBKVPDVCPQ-UXHICEINSA-N 1 0 304.437 4.122 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000537014313 337865475 /nfs/dbraw/zinc/86/54/75/337865475.db2.gz JRUCUWMZUXNJSI-GHBBCFCZSA-N 1 0 324.468 4.417 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000120314437 337873870 /nfs/dbraw/zinc/87/38/70/337873870.db2.gz OZINRCSXOHZSAJ-HXUWFJFHSA-N 1 0 316.464 4.125 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000090883727 337886165 /nfs/dbraw/zinc/88/61/65/337886165.db2.gz NWTKATOCDFXZNU-CQSZACIVSA-N 1 0 302.443 4.053 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000537305614 337930096 /nfs/dbraw/zinc/93/00/96/337930096.db2.gz AWYLJURYSBEWLL-KGLIPLIRSA-N 1 0 318.852 4.316 20 30 DIEDRO C[C@H]([NH2+]CCc1cc2ccccc2o1)c1ccc(C#N)c(F)c1 ZINC000537406785 337933612 /nfs/dbraw/zinc/93/36/12/337933612.db2.gz IQRPBSVQCCATRZ-ZDUSSCGKSA-N 1 0 308.356 4.337 20 30 DIEDRO C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000537408982 337933899 /nfs/dbraw/zinc/93/38/99/337933899.db2.gz UJHDUYFDWXTJSN-OAHLLOKOSA-N 1 0 308.400 4.371 20 30 DIEDRO CC1(c2cccc(Cl)c2)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000515155497 337981117 /nfs/dbraw/zinc/98/11/17/337981117.db2.gz ILPYRLNDQFHSEP-YOEHRIQHSA-N 1 0 302.849 4.386 20 30 DIEDRO C=CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000425963934 338019275 /nfs/dbraw/zinc/01/92/75/338019275.db2.gz NUPLEYFVMBGVOE-UHFFFAOYSA-N 1 0 309.335 4.103 20 30 DIEDRO CCCc1nc(C)c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000428292122 338045893 /nfs/dbraw/zinc/04/58/93/338045893.db2.gz XKVDNGMSYKXKEQ-UHFFFAOYSA-N 1 0 321.424 4.097 20 30 DIEDRO N#C[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000429028719 338069361 /nfs/dbraw/zinc/06/93/61/338069361.db2.gz MSBZJOXWAJXUIG-OIISXLGYSA-N 1 0 304.384 4.051 20 30 DIEDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000429628171 338086357 /nfs/dbraw/zinc/08/63/57/338086357.db2.gz RVHYIIOKOWUNFO-HNAYVOBHSA-N 1 0 310.828 4.170 20 30 DIEDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000429628170 338086403 /nfs/dbraw/zinc/08/64/03/338086403.db2.gz RVHYIIOKOWUNFO-DNVCBOLYSA-N 1 0 310.828 4.170 20 30 DIEDRO C=CCC(C)(C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000429822184 338090710 /nfs/dbraw/zinc/09/07/10/338090710.db2.gz GVLOJJUYWGUDNE-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO CC(C)[C@@H]1[N@H+](Cc2cccc(OCCCC#N)c2)CC12CCC2 ZINC000430084619 338095286 /nfs/dbraw/zinc/09/52/86/338095286.db2.gz KIGIMSODMXZSIH-IBGZPJMESA-N 1 0 312.457 4.380 20 30 DIEDRO CC(C)[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1ccccc1 ZINC000430098596 338096364 /nfs/dbraw/zinc/09/63/64/338096364.db2.gz CWVZJHKYPRVPMM-MRXNPFEDSA-N 1 0 318.424 4.178 20 30 DIEDRO N#Cc1ccc(C[NH+](C2CCC2)C2CCC2)c(C(F)(F)F)c1 ZINC000430116769 338097730 /nfs/dbraw/zinc/09/77/30/338097730.db2.gz BRKRDIOEGWVLNM-UHFFFAOYSA-N 1 0 308.347 4.484 20 30 DIEDRO C=CCc1cc(C[NH+](C2CCC2)C2CCC2)cc(OC)c1O ZINC000430129361 338098326 /nfs/dbraw/zinc/09/83/26/338098326.db2.gz IFWGXIBWEUSMCY-UHFFFAOYSA-N 1 0 301.430 4.036 20 30 DIEDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430741287 338112911 /nfs/dbraw/zinc/11/29/11/338112911.db2.gz LZFMNYRTCYIUQH-ZETCQYMHSA-N 1 0 317.248 4.454 20 30 DIEDRO C[C@@H](CCC(F)(F)F)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430756928 338114032 /nfs/dbraw/zinc/11/40/32/338114032.db2.gz VFFMJMMSPGFFJE-LURJTMIESA-N 1 0 303.221 4.064 20 30 DIEDRO N#CCC1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000430739026 338112858 /nfs/dbraw/zinc/11/28/58/338112858.db2.gz CKIDXSDUFCEWPK-SFHVURJKSA-N 1 0 310.441 4.063 20 30 DIEDRO CC(C)CCOc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430740768 338112923 /nfs/dbraw/zinc/11/29/23/338112923.db2.gz KVFHVBBIOUFHIP-INIZCTEOSA-N 1 0 300.446 4.456 20 30 DIEDRO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2(CC#N)CC2)cc1 ZINC000430740566 338112959 /nfs/dbraw/zinc/11/29/59/338112959.db2.gz QEKUALRTXUEYSS-OALUTQOASA-N 1 0 312.457 4.393 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)c2cccc(Br)c21 ZINC000430739295 338112969 /nfs/dbraw/zinc/11/29/69/338112969.db2.gz HOVXBOIAPHYMJV-BXUZGUMPSA-N 1 0 319.246 4.281 20 30 DIEDRO N#CCC1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000430762004 338114145 /nfs/dbraw/zinc/11/41/45/338114145.db2.gz NNFRAOCFXBSVIZ-HNNXBMFYSA-N 1 0 323.465 4.471 20 30 DIEDRO C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000432255529 338151376 /nfs/dbraw/zinc/15/13/76/338151376.db2.gz QLBOMJZMWYWIIH-SYJJWHGVSA-N 1 0 300.446 4.193 20 30 DIEDRO COc1ccccc1OCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433013294 338176198 /nfs/dbraw/zinc/17/61/98/338176198.db2.gz ATFFZEDMZUZFPZ-GOSISDBHSA-N 1 0 324.424 4.099 20 30 DIEDRO CN(C)c1ccccc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433017495 338176529 /nfs/dbraw/zinc/17/65/29/338176529.db2.gz AURGWSYQSZWAQF-IBGZPJMESA-N 1 0 307.441 4.277 20 30 DIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1 ZINC000433025788 338177123 /nfs/dbraw/zinc/17/71/23/338177123.db2.gz MQHWKXHLMXXMOK-NHCUHLMSSA-N 1 0 322.452 4.005 20 30 DIEDRO N#Cc1csc(CN2CCC(c3ncccc3Cl)CC2)c1 ZINC000433036650 338177609 /nfs/dbraw/zinc/17/76/09/338177609.db2.gz XQGRTBFDQPUWIR-UHFFFAOYSA-N 1 0 317.845 4.048 20 30 DIEDRO CN(Cc1ccc(F)c(Cl)c1)Cc1cc(F)ccc1C#N ZINC000433273566 338188825 /nfs/dbraw/zinc/18/88/25/338188825.db2.gz ZWUDDKPCJJGNBV-UHFFFAOYSA-N 1 0 306.743 4.122 20 30 DIEDRO C[N@H+](CC/C=C/c1ccc(Br)cc1)CC(C)(C)C#N ZINC000433325683 338192452 /nfs/dbraw/zinc/19/24/52/338192452.db2.gz KFKGADVXGXPSQB-GQCTYLIASA-N 1 0 321.262 4.334 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(NCCC)cc1 ZINC000434777941 338225393 /nfs/dbraw/zinc/22/53/93/338225393.db2.gz RFVRMVLXSVFGNJ-UHFFFAOYSA-N 1 0 310.441 4.363 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000435737305 338247034 /nfs/dbraw/zinc/24/70/34/338247034.db2.gz GVZHTMDGQFBCMO-SWLSCSKDSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000435738794 338247252 /nfs/dbraw/zinc/24/72/52/338247252.db2.gz CJZXLRUAKKADLQ-IAQYHMDHSA-N 1 0 318.219 4.203 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1csc(Cl)c1Cl ZINC000435745098 338247583 /nfs/dbraw/zinc/24/75/83/338247583.db2.gz JLQHFPWRQSJQEO-BXKDBHETSA-N 1 0 306.258 4.126 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000435745162 338247657 /nfs/dbraw/zinc/24/76/57/338247657.db2.gz KENPCPSNFQYMJD-HNAYVOBHSA-N 1 0 315.388 4.157 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436244877 338263192 /nfs/dbraw/zinc/26/31/92/338263192.db2.gz SEMVMRSOTRNUJN-TZIWHRDSSA-N 1 0 312.501 4.028 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000436283565 338265747 /nfs/dbraw/zinc/26/57/47/338265747.db2.gz LSHRSOQVZLDWOU-NXHRZFHOSA-N 1 0 318.417 4.007 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000436283566 338265790 /nfs/dbraw/zinc/26/57/90/338265790.db2.gz LSHRSOQVZLDWOU-SZMVWBNQSA-N 1 0 318.417 4.007 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000436292733 338266676 /nfs/dbraw/zinc/26/66/76/338266676.db2.gz LVMGSYAVTVWQPK-AOIWGVFYSA-N 1 0 301.474 4.314 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000436302912 338267770 /nfs/dbraw/zinc/26/77/70/338267770.db2.gz ASEZOUBYTQKCOO-VFNWGFHPSA-N 1 0 305.421 4.327 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000436305974 338268051 /nfs/dbraw/zinc/26/80/51/338268051.db2.gz INOAVGCQSLGRCP-OWYHZJEWSA-N 1 0 303.421 4.033 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000436306721 338268202 /nfs/dbraw/zinc/26/82/02/338268202.db2.gz JAWMYLNXIQUNQK-WDSOQIARSA-N 1 0 303.446 4.107 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3cccc(C#N)c3)cn(C)c2c1 ZINC000437088283 338300168 /nfs/dbraw/zinc/30/01/68/338300168.db2.gz LMHRLVOCLFKSGB-INIZCTEOSA-N 1 0 317.436 4.252 20 30 DIEDRO CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000437101270 338301022 /nfs/dbraw/zinc/30/10/22/338301022.db2.gz YUHKHCSCJXAQED-INIZCTEOSA-N 1 0 307.441 4.254 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438197685 338336173 /nfs/dbraw/zinc/33/61/73/338336173.db2.gz DGJCBRHGWOXSMW-SFTDATJTSA-N 1 0 312.501 4.127 20 30 DIEDRO C=C(C)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000156163768 338342377 /nfs/dbraw/zinc/34/23/77/338342377.db2.gz BQAPOHJHGGNWNL-UHFFFAOYSA-N 1 0 315.461 4.149 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000439431702 338369192 /nfs/dbraw/zinc/36/91/92/338369192.db2.gz NYUICCUTTCZINW-CQSZACIVSA-N 1 0 317.845 4.048 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000439437368 338369381 /nfs/dbraw/zinc/36/93/81/338369381.db2.gz JWVCIHSWQACZOU-CVEARBPZSA-N 1 0 306.862 4.072 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC000439437370 338369500 /nfs/dbraw/zinc/36/95/00/338369500.db2.gz JWVCIHSWQACZOU-HZPDHXFCSA-N 1 0 306.862 4.072 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1 ZINC000439475919 338370929 /nfs/dbraw/zinc/37/09/29/338370929.db2.gz YXPJRTDQBYNQDL-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000440265738 338384893 /nfs/dbraw/zinc/38/48/93/338384893.db2.gz MSVPWHWQHZQXRD-UHFFFAOYSA-N 1 0 320.436 4.434 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440568227 338390509 /nfs/dbraw/zinc/39/05/09/338390509.db2.gz YLONJLJTGHLIMU-IIZJSDIPSA-N 1 0 324.468 4.289 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccccc1SC ZINC000440636253 338393562 /nfs/dbraw/zinc/39/35/62/338393562.db2.gz KHNOVUAANBLLDO-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO COc1cc(C[NH2+]CCc2csc3ccccc23)ccc1C#N ZINC000440808835 338398043 /nfs/dbraw/zinc/39/80/43/338398043.db2.gz RIHPVHIOEXDVGE-UHFFFAOYSA-N 1 0 322.433 4.114 20 30 DIEDRO COc1cc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)ccc1C#N ZINC000440826621 338398298 /nfs/dbraw/zinc/39/82/98/338398298.db2.gz UXTUYDOJOXLOSR-LJQANCHMSA-N 1 0 308.425 4.444 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440833509 338398369 /nfs/dbraw/zinc/39/83/69/338398369.db2.gz SIDOXYNBCYFRGJ-SFHVURJKSA-N 1 0 324.424 4.206 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000441379352 338411157 /nfs/dbraw/zinc/41/11/57/338411157.db2.gz PBNOXTCYOBNXCQ-UHFFFAOYSA-N 1 0 305.425 4.168 20 30 DIEDRO CCN(CC)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000442635400 338426397 /nfs/dbraw/zinc/42/63/97/338426397.db2.gz PMVKYSGKQDRMHX-RLFYNMQTSA-N 1 0 319.880 4.005 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000442655667 338426856 /nfs/dbraw/zinc/42/68/56/338426856.db2.gz VKHOTVFUSAOJQW-XLIONFOSSA-N 1 0 304.437 4.490 20 30 DIEDRO COc1ccc(-c2csc(C[NH2+][C@H]3CC[C@@H](C#N)C3)c2)cc1 ZINC000442780134 338430737 /nfs/dbraw/zinc/43/07/37/338430737.db2.gz FTBMSMHTNSDFLW-CJNGLKHVSA-N 1 0 312.438 4.206 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000442781863 338430824 /nfs/dbraw/zinc/43/08/24/338430824.db2.gz KEGKICQFSKWUMG-SJLPKXTDSA-N 1 0 306.409 4.014 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000442781862 338430843 /nfs/dbraw/zinc/43/08/43/338430843.db2.gz KEGKICQFSKWUMG-FUHWJXTLSA-N 1 0 306.409 4.014 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)s2)cc1 ZINC000442784485 338431130 /nfs/dbraw/zinc/43/11/30/338431130.db2.gz PTEFOSQVLPXNLH-UKRRQHHQSA-N 1 0 312.438 4.206 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2ccc(C)cc2)cc1 ZINC000442796262 338432150 /nfs/dbraw/zinc/43/21/50/338432150.db2.gz VSIITXGINKSLIG-NBHGPNQESA-N 1 0 320.436 4.375 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC2CCC(C#N)CC2)C(C)C)cc1 ZINC000442863643 338435859 /nfs/dbraw/zinc/43/58/59/338435859.db2.gz DFZZYWTYSCYSSV-LADRWXRNSA-N 1 0 300.446 4.312 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](OCC)c2ccccc2)cc1 ZINC000446852188 338538652 /nfs/dbraw/zinc/53/86/52/338538652.db2.gz MWVGTNCYXZMBBU-HXUWFJFHSA-N 1 0 311.425 4.119 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cc(C)ccc1OC)c1ccc(C#N)cc1 ZINC000447516585 338553609 /nfs/dbraw/zinc/55/36/09/338553609.db2.gz HDPKKHNUGUOWSK-LJQANCHMSA-N 1 0 308.425 4.159 20 30 DIEDRO CC[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(C#N)cc1 ZINC000447533009 338554809 /nfs/dbraw/zinc/55/48/09/338554809.db2.gz YHALMBXDOWDAKP-SFHVURJKSA-N 1 0 300.352 4.120 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447536076 338555031 /nfs/dbraw/zinc/55/50/31/338555031.db2.gz KVRDUUGQLMPFKH-FOIQADDNSA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](c1cccnc1)C(C)C)c1ccc(C#N)cc1 ZINC000447578815 338558662 /nfs/dbraw/zinc/55/86/62/338558662.db2.gz HNXURXYIHJZNMX-PMACEKPBSA-N 1 0 307.441 4.434 20 30 DIEDRO CC[C@H](Nc1cc(C[NH+](C)C)ccc1C)c1ccc(C#N)cc1 ZINC000447598631 338561214 /nfs/dbraw/zinc/56/12/14/338561214.db2.gz IIRNBBGJCBKPDH-IBGZPJMESA-N 1 0 307.441 4.492 20 30 DIEDRO COc1ccc([C@@H]([NH2+]C2CCC(C)(C#N)CC2)C(C)C)cc1 ZINC000449067136 338590024 /nfs/dbraw/zinc/59/00/24/338590024.db2.gz IUCHCWPNCJIHET-AVAKVYKDSA-N 1 0 300.446 4.454 20 30 DIEDRO CCN(CC)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccsc1 ZINC000449077529 338591287 /nfs/dbraw/zinc/59/12/87/338591287.db2.gz JXVBHSFSVJTCBE-ADKAHSJRSA-N 1 0 319.518 4.193 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449159802 338597950 /nfs/dbraw/zinc/59/79/50/338597950.db2.gz IUTKEIILWCOSAX-OEWOMKROSA-N 1 0 320.864 4.478 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000449209786 338602655 /nfs/dbraw/zinc/60/26/55/338602655.db2.gz QBGPNPHWBAEFKL-ROUUACIJSA-N 1 0 315.505 4.332 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000449216792 338603160 /nfs/dbraw/zinc/60/31/60/338603160.db2.gz VFTMSXFIOGPFGR-IHJVYAAUSA-N 1 0 312.457 4.216 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000449227692 338604478 /nfs/dbraw/zinc/60/44/78/338604478.db2.gz QLDSWPJNPZCFNY-UHFFFAOYSA-N 1 0 311.473 4.239 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449305313 338611198 /nfs/dbraw/zinc/61/11/98/338611198.db2.gz RSPZEIZFDSTIOJ-MGULZYLOSA-N 1 0 308.347 4.011 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(OC)c(OC)c1 ZINC000449315519 338611957 /nfs/dbraw/zinc/61/19/57/338611957.db2.gz IKPIIYREMMQRRQ-KOHRHEQBSA-N 1 0 316.445 4.217 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCn2ccc3cc(Cl)ccc32)CC1 ZINC000449319809 338612496 /nfs/dbraw/zinc/61/24/96/338612496.db2.gz ZYJDAKYRSNPXQC-UHFFFAOYSA-N 1 0 315.848 4.357 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000449336464 338614471 /nfs/dbraw/zinc/61/44/71/338614471.db2.gz NOLANQVTAWSJOV-GTPINHCMSA-N 1 0 324.390 4.470 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CCCC(C)(F)F)ccc1OC ZINC000449352421 338616782 /nfs/dbraw/zinc/61/67/82/338616782.db2.gz VHXJGRYXEYGXJC-UHFFFAOYSA-N 1 0 313.388 4.175 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449439501 338624183 /nfs/dbraw/zinc/62/41/83/338624183.db2.gz VSNOYPOTVICKPQ-IUODEOHRSA-N 1 0 301.352 4.073 20 30 DIEDRO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2(C#N)CCC2)cc1 ZINC000450818668 338706755 /nfs/dbraw/zinc/70/67/55/338706755.db2.gz JAWUCDHSOGFCHT-OALUTQOASA-N 1 0 312.457 4.393 20 30 DIEDRO CCc1cc(CCC[NH2+][C@H](CCCC#N)c2ccccc2)on1 ZINC000451065777 338720336 /nfs/dbraw/zinc/72/03/36/338720336.db2.gz SGDALPVWXUABNK-LJQANCHMSA-N 1 0 311.429 4.194 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc2ccccc2c(C)c1Cl ZINC000451678044 338741754 /nfs/dbraw/zinc/74/17/54/338741754.db2.gz HJWIOCKQRBGQRJ-WBVHZDCISA-N 1 0 316.832 4.020 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453174272 338802592 /nfs/dbraw/zinc/80/25/92/338802592.db2.gz KDBOGDHWSHJHEV-MRXNPFEDSA-N 1 0 312.413 4.117 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453218684 338809459 /nfs/dbraw/zinc/80/94/59/338809459.db2.gz KSYTYHYCDQPZAB-WFASDCNBSA-N 1 0 312.413 4.237 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(-c2ccccc2)nn1C ZINC000453220405 338809706 /nfs/dbraw/zinc/80/97/06/338809706.db2.gz QVCBDXKQRMPJMN-GTPINHCMSA-N 1 0 322.456 4.068 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(C#N)cc1 ZINC000453223769 338810145 /nfs/dbraw/zinc/81/01/45/338810145.db2.gz SQPYZRWWKHIPKN-FUHWJXTLSA-N 1 0 308.450 4.488 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccccc2O1 ZINC000453273353 338817181 /nfs/dbraw/zinc/81/71/81/338817181.db2.gz ULXYZYUJECAWED-ZNZDAUKMSA-N 1 0 304.393 4.047 20 30 DIEDRO CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453287415 338819072 /nfs/dbraw/zinc/81/90/72/338819072.db2.gz FTLUEFZDRISQJD-BQFCYCMXSA-N 1 0 302.487 4.475 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453312532 338822853 /nfs/dbraw/zinc/82/28/53/338822853.db2.gz HGTUWBDBPDEUSX-YLJYHZDGSA-N 1 0 324.468 4.265 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCCC1(F)F ZINC000453325976 338825306 /nfs/dbraw/zinc/82/53/06/338825306.db2.gz XNTZJMCMYIWZMX-WBVHZDCISA-N 1 0 304.384 4.351 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000453350675 338829461 /nfs/dbraw/zinc/82/94/61/338829461.db2.gz LWFWEJLAFJJQMF-ZNMIVQPWSA-N 1 0 309.862 4.200 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000453380228 338835011 /nfs/dbraw/zinc/83/50/11/338835011.db2.gz ZPTFXTZKVHDCMI-XYPHTWIQSA-N 1 0 315.413 4.134 20 30 DIEDRO CC1(C)C[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000453420414 338840974 /nfs/dbraw/zinc/84/09/74/338840974.db2.gz LNYHCROHHQHWEH-VQIMIIECSA-N 1 0 312.457 4.121 20 30 DIEDRO C=C(C)COc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459349194 339023689 /nfs/dbraw/zinc/02/36/89/339023689.db2.gz IJDPGRHNSCGVLT-UHFFFAOYSA-N 1 0 323.440 4.117 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459409792 339027575 /nfs/dbraw/zinc/02/75/75/339027575.db2.gz JXHOTSFWJBLTSV-HNNXBMFYSA-N 1 0 310.445 4.114 20 30 DIEDRO N#CCCC[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459481972 339031960 /nfs/dbraw/zinc/03/19/60/339031960.db2.gz NNYXPXBCZBYXJP-TWGQIWQCSA-N 1 0 306.409 4.172 20 30 DIEDRO C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000459485370 339032255 /nfs/dbraw/zinc/03/22/55/339032255.db2.gz IPXTUTKMVNLXMQ-CYBMUJFWSA-N 1 0 321.380 4.195 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000459640324 339039685 /nfs/dbraw/zinc/03/96/85/339039685.db2.gz QBBGLQCTVIYRDN-INIZCTEOSA-N 1 0 312.844 4.088 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000459671989 339042148 /nfs/dbraw/zinc/04/21/48/339042148.db2.gz XEEOUSULSVYZEE-BXUZGUMPSA-N 1 0 306.793 4.058 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000459729844 339044849 /nfs/dbraw/zinc/04/48/49/339044849.db2.gz KXOZPJVEAJVTAA-UHFFFAOYSA-N 1 0 315.642 4.132 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1c(Cl)cccc1C#N)c1ccco1 ZINC000462376438 339077377 /nfs/dbraw/zinc/07/73/77/339077377.db2.gz JNVQFHTWWRFLPG-HNNXBMFYSA-N 1 0 317.820 4.300 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](C)Oc1ccc(C)cc1 ZINC000462732907 339085267 /nfs/dbraw/zinc/08/52/67/339085267.db2.gz ATOATDZJDGIPPH-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc(OC)c1O ZINC000462736744 339085935 /nfs/dbraw/zinc/08/59/35/339085935.db2.gz UVWFTTJYMYYNJG-SOLBZPMBSA-N 1 0 315.457 4.188 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2C[C@@H](OCC)C23CCCC3)c1 ZINC000462745668 339086475 /nfs/dbraw/zinc/08/64/75/339086475.db2.gz LLMYPWTYNMSMIS-RBUKOAKNSA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000462803221 339090010 /nfs/dbraw/zinc/09/00/10/339090010.db2.gz AJQKINDCFYQUSV-LJQANCHMSA-N 1 0 309.409 4.124 20 30 DIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463233942 339110718 /nfs/dbraw/zinc/11/07/18/339110718.db2.gz FXEWFBZXVUKPBF-JZXOWHBKSA-N 1 0 300.446 4.344 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000463233380 339110758 /nfs/dbraw/zinc/11/07/58/339110758.db2.gz NHNJTPPUYVSHSP-WBVHZDCISA-N 1 0 300.446 4.344 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000463233379 339110826 /nfs/dbraw/zinc/11/08/26/339110826.db2.gz NHNJTPPUYVSHSP-RDJZCZTQSA-N 1 0 300.446 4.344 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000463281113 339113071 /nfs/dbraw/zinc/11/30/71/339113071.db2.gz JZNRTELOPXLUBK-PMACEKPBSA-N 1 0 320.436 4.438 20 30 DIEDRO COc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)CCCC2)c1 ZINC000463285665 339113491 /nfs/dbraw/zinc/11/34/91/339113491.db2.gz TVXVARBRGJLPRY-SJLPKXTDSA-N 1 0 312.457 4.179 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000463303179 339114180 /nfs/dbraw/zinc/11/41/80/339114180.db2.gz QBILLGUYKIBBMU-YOEHRIQHSA-N 1 0 302.849 4.434 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1ccc(F)cc1C#N ZINC000464592058 339146610 /nfs/dbraw/zinc/14/66/10/339146610.db2.gz LUVUQFVMMBJNRD-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCOc2ccccc2C#N)C1 ZINC000464741291 339150625 /nfs/dbraw/zinc/15/06/25/339150625.db2.gz SUQVFMLHFQKION-BEFAXECRSA-N 1 0 324.399 4.159 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000464743080 339150817 /nfs/dbraw/zinc/15/08/17/339150817.db2.gz YMRDGJCEJODDNX-FOIQADDNSA-N 1 0 324.399 4.159 20 30 DIEDRO COc1ccc(CC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464816132 339155112 /nfs/dbraw/zinc/15/51/12/339155112.db2.gz SAILBDNKWRDXIP-LEWJYISDSA-N 1 0 320.436 4.009 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000464852813 339157978 /nfs/dbraw/zinc/15/79/78/339157978.db2.gz MDWFEKRQYDOZDX-CRAIPNDOSA-N 1 0 310.397 4.003 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC000464852818 339158009 /nfs/dbraw/zinc/15/80/09/339158009.db2.gz MDWFEKRQYDOZDX-YJBOKZPZSA-N 1 0 310.397 4.003 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000466382966 339201661 /nfs/dbraw/zinc/20/16/61/339201661.db2.gz IVVQSOZPALDVLD-CQSZACIVSA-N 1 0 300.358 4.299 20 30 DIEDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCc1cccc(C#N)c1 ZINC000466427017 339204460 /nfs/dbraw/zinc/20/44/60/339204460.db2.gz YQHRVOQVSBASES-PTNGSMBKSA-N 1 0 310.828 4.447 20 30 DIEDRO CCC[N@H+](CCCSCC#N)[C@H](C)c1ccccc1OC ZINC000466705023 339213573 /nfs/dbraw/zinc/21/35/73/339213573.db2.gz FZPSDOMFAIHUHV-OAHLLOKOSA-N 1 0 306.475 4.115 20 30 DIEDRO N#CCSCCC[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000466731419 339214697 /nfs/dbraw/zinc/21/46/97/339214697.db2.gz NNNIWNCXQYYEAT-UHFFFAOYSA-N 1 0 324.493 4.378 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467338482 339232373 /nfs/dbraw/zinc/23/23/73/339232373.db2.gz KJFRGCSAASPKSF-GFCCVEGCSA-N 1 0 303.393 4.145 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000467410921 339237096 /nfs/dbraw/zinc/23/70/96/339237096.db2.gz LVBXGNQXTTVTJD-GDBMZVCRSA-N 1 0 303.450 4.222 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000467414099 339237187 /nfs/dbraw/zinc/23/71/87/339237187.db2.gz QTIZWBYQIQBTJY-HOTGVXAUSA-N 1 0 302.462 4.471 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000467415198 339237395 /nfs/dbraw/zinc/23/73/95/339237395.db2.gz XPTMRTNQDKSTLN-LSDHHAIUSA-N 1 0 301.352 4.337 20 30 DIEDRO CC#CCCCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000467430752 339237969 /nfs/dbraw/zinc/23/79/69/339237969.db2.gz XCBPLFBEPKUBQJ-UHFFFAOYSA-N 1 0 312.457 4.195 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)C1CCC(C(F)(F)F)CC1 ZINC000467448968 339239359 /nfs/dbraw/zinc/23/93/59/339239359.db2.gz HISIWFILIVJKHQ-IGEOTXOUSA-N 1 0 324.390 4.448 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000467450532 339239418 /nfs/dbraw/zinc/23/94/18/339239418.db2.gz WBPRZYRGDCWCQW-SFTDATJTSA-N 1 0 304.437 4.417 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000467849544 339247714 /nfs/dbraw/zinc/24/77/14/339247714.db2.gz GXGGRTHEVSGUDC-MRXNPFEDSA-N 1 0 300.490 4.285 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000468033203 339251799 /nfs/dbraw/zinc/25/17/99/339251799.db2.gz HPVCINKBQBJUSS-IUDNXUCKSA-N 1 0 310.363 4.321 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000468266519 339258061 /nfs/dbraw/zinc/25/80/61/339258061.db2.gz OWTZZXGKDOHCHQ-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468270794 339258263 /nfs/dbraw/zinc/25/82/63/339258263.db2.gz QICCBSKYJAGZTH-SUMWQHHRSA-N 1 0 312.363 4.214 20 30 DIEDRO Cc1ccc(C[N@H+](Cc2ccc(F)c(C#N)c2)C(C)C)s1 ZINC000468272879 339258462 /nfs/dbraw/zinc/25/84/62/339258462.db2.gz PIPOAODBTLFDBB-UHFFFAOYSA-N 1 0 302.418 4.478 20 30 DIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000468284057 339258818 /nfs/dbraw/zinc/25/88/18/339258818.db2.gz BSQCQLCIGSOETL-HXUWFJFHSA-N 1 0 323.415 4.100 20 30 DIEDRO N#Cc1cc(C[N@@H+](CCc2cccc(F)c2)C2CC2)ccc1F ZINC000468283004 339258830 /nfs/dbraw/zinc/25/88/30/339258830.db2.gz VYMZVDPPTAYCIR-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468290087 339258973 /nfs/dbraw/zinc/25/89/73/339258973.db2.gz MVYZFBOIHXCOPR-HXUWFJFHSA-N 1 0 324.399 4.215 20 30 DIEDRO C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@H](CC)CC#N)cc1 ZINC000468475658 339263696 /nfs/dbraw/zinc/26/36/96/339263696.db2.gz OAXJTIDKYMUDNG-BYVBVCRGSA-N 1 0 300.446 4.244 20 30 DIEDRO C=CCC(CC=C)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000469961732 339305909 /nfs/dbraw/zinc/30/59/09/339305909.db2.gz AGPXYONEXFLARY-UHFFFAOYSA-N 1 0 300.446 4.235 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCc3ccccc3F)CC2)cc1 ZINC000469985860 339307041 /nfs/dbraw/zinc/30/70/41/339307041.db2.gz QOXNHSQCTJDHLN-UHFFFAOYSA-N 1 0 306.384 4.029 20 30 DIEDRO C=CCOCCC[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000470724443 339326213 /nfs/dbraw/zinc/32/62/13/339326213.db2.gz WUHUPSSTJSHWPG-CYBMUJFWSA-N 1 0 301.352 4.291 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000470753879 339326906 /nfs/dbraw/zinc/32/69/06/339326906.db2.gz DETWLWIBCODPON-KRWDZBQOSA-N 1 0 301.455 4.214 20 30 DIEDRO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470761464 339327110 /nfs/dbraw/zinc/32/71/10/339327110.db2.gz JNOIDBDOUGFUKX-HXUWFJFHSA-N 1 0 324.468 4.005 20 30 DIEDRO C=CCOCCC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000470773196 339327441 /nfs/dbraw/zinc/32/74/41/339327441.db2.gz NRIPKAUDDXATMV-MRXNPFEDSA-N 1 0 323.864 4.024 20 30 DIEDRO CC(C)CC[N@H+](CCC#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470789473 339328239 /nfs/dbraw/zinc/32/82/39/339328239.db2.gz LIIYLBXVGBHSLE-NRFANRHFSA-N 1 0 324.468 4.005 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000472152807 339364460 /nfs/dbraw/zinc/36/44/60/339364460.db2.gz HDVVPJOVHLDETA-VQIMIIECSA-N 1 0 324.399 4.187 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCCC(C)(C)C#N)C12CCCCC2 ZINC000472228102 339366516 /nfs/dbraw/zinc/36/65/16/339366516.db2.gz YNPSWQWXASKPIW-IAGOWNOFSA-N 1 0 306.494 4.376 20 30 DIEDRO CC(C)(C#N)CCC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000472249912 339367592 /nfs/dbraw/zinc/36/75/92/339367592.db2.gz FWPHKHIHVMZTTK-UHFFFAOYSA-N 1 0 320.864 4.265 20 30 DIEDRO COc1ccc(C[C@@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)cc1 ZINC000472250632 339367597 /nfs/dbraw/zinc/36/75/97/339367597.db2.gz JGKAJGPVKFSYDY-SFHVURJKSA-N 1 0 314.473 4.280 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000472761494 339376989 /nfs/dbraw/zinc/37/69/89/339376989.db2.gz FMAOMFNOAVWMIF-DGCLKSJQSA-N 1 0 302.245 4.313 20 30 DIEDRO COc1c2ccccc2oc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000473788256 339392031 /nfs/dbraw/zinc/39/20/31/339392031.db2.gz JTEXLOLXYXHYMV-CYBMUJFWSA-N 1 0 306.365 4.164 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000475568848 339455844 /nfs/dbraw/zinc/45/58/44/339455844.db2.gz BPJJXEQUNGFCCJ-UKRRQHHQSA-N 1 0 300.402 4.185 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000475705932 339459955 /nfs/dbraw/zinc/45/99/55/339459955.db2.gz VKEAGHMRCDVSSZ-ZDUSSCGKSA-N 1 0 324.355 4.173 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000479596192 339542951 /nfs/dbraw/zinc/54/29/51/339542951.db2.gz XSSXRDZWQHUANJ-SSDOTTSWSA-N 1 0 303.221 4.133 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)c(F)c1 ZINC000479878170 339552513 /nfs/dbraw/zinc/55/25/13/339552513.db2.gz ZSAWPDLVFLLKKP-UHFFFAOYSA-N 1 0 312.363 4.091 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480686025 339583264 /nfs/dbraw/zinc/58/32/64/339583264.db2.gz YJORSFMHQYRVKZ-MOPGFXCFSA-N 1 0 315.436 4.373 20 30 DIEDRO N#Cc1cc(NC2CC([NH+]3CCCCC3)C2)ccc1C(F)(F)F ZINC000480838057 339588621 /nfs/dbraw/zinc/58/86/21/339588621.db2.gz LXJNPSOMYPIWCE-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)C(C)(C)C ZINC000481215715 339598597 /nfs/dbraw/zinc/59/85/97/339598597.db2.gz ZJBXSTLSLQSXIA-AWEZNQCLSA-N 1 0 309.251 4.235 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000481371816 339602573 /nfs/dbraw/zinc/60/25/73/339602573.db2.gz FGCDPNTUQODYCI-SCLBCKFNSA-N 1 0 314.816 4.077 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)ccc1C ZINC000481645013 339608583 /nfs/dbraw/zinc/60/85/83/339608583.db2.gz MSNYKBSRIJJYEO-FQEVSTJZSA-N 1 0 320.436 4.433 20 30 DIEDRO CC1(C)[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[C@H]2CCCO[C@@H]21 ZINC000481661179 339608975 /nfs/dbraw/zinc/60/89/75/339608975.db2.gz BHQSWTMWJREECD-WTGUMLROSA-N 1 0 324.468 4.119 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000481808350 339614352 /nfs/dbraw/zinc/61/43/52/339614352.db2.gz AFPVLWFGUBVPNP-GDBMZVCRSA-N 1 0 312.363 4.262 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc(C)c1F ZINC000484082068 339680393 /nfs/dbraw/zinc/68/03/93/339680393.db2.gz PBORAAVYTTWAGL-ZDUSSCGKSA-N 1 0 300.352 4.304 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3F)CCCC2)o1 ZINC000485735125 339711693 /nfs/dbraw/zinc/71/16/93/339711693.db2.gz RPRIRRGQNQHAKD-UHFFFAOYSA-N 1 0 316.351 4.031 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485822881 339713800 /nfs/dbraw/zinc/71/38/00/339713800.db2.gz NXJNXLQZRXLYPO-GFCCVEGCSA-N 1 0 323.421 4.027 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc2ncsc2c1 ZINC000485835459 339714040 /nfs/dbraw/zinc/71/40/40/339714040.db2.gz QFFYLMVSUGSQLW-ZDUSSCGKSA-N 1 0 307.422 4.213 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1OC ZINC000488105575 339770448 /nfs/dbraw/zinc/77/04/48/339770448.db2.gz CZOIZJCNCUDZMF-OAHLLOKOSA-N 1 0 324.424 4.043 20 30 DIEDRO Cc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)ccc1C#N ZINC000488123854 339771092 /nfs/dbraw/zinc/77/10/92/339771092.db2.gz BNKWPTTVPOCRCF-UHFFFAOYSA-N 1 0 312.363 4.314 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(F)cc1F ZINC000488129850 339771318 /nfs/dbraw/zinc/77/13/18/339771318.db2.gz ORATXDUHAZMWMJ-GOSISDBHSA-N 1 0 300.352 4.386 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000488136381 339771454 /nfs/dbraw/zinc/77/14/54/339771454.db2.gz GQRJYGSECHCUGT-RHSMWYFYSA-N 1 0 316.445 4.193 20 30 DIEDRO CC1(C)C[C@H]1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000489062243 339801091 /nfs/dbraw/zinc/80/10/91/339801091.db2.gz DXTMCQYOANSTQI-IBGZPJMESA-N 1 0 320.436 4.273 20 30 DIEDRO CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000490428091 339832304 /nfs/dbraw/zinc/83/23/04/339832304.db2.gz CMJIESLAYQPOKY-NVXWUHKLSA-N 1 0 315.461 4.069 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000494603699 339954881 /nfs/dbraw/zinc/95/48/81/339954881.db2.gz NIOXTQOQYMBUOW-RBUKOAKNSA-N 1 0 306.409 4.015 20 30 DIEDRO C=CC[C@H]1[N@@H+](CCCC2(C#N)CCOCC2)CCCC1(C)C ZINC000499730393 340043510 /nfs/dbraw/zinc/04/35/10/340043510.db2.gz FUBVASPLJPEODR-QGZVFWFLSA-N 1 0 304.478 4.154 20 30 DIEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CCC)CC2CCCCC2)CC1 ZINC000499829852 340045421 /nfs/dbraw/zinc/04/54/21/340045421.db2.gz CRUHAMZEELZKSM-GOSISDBHSA-N 1 0 320.521 4.140 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2C)cc(OC)c1O ZINC000500143553 340051255 /nfs/dbraw/zinc/05/12/55/340051255.db2.gz HXVOIOWKTKEIJW-PBHICJAKSA-N 1 0 303.446 4.045 20 30 DIEDRO CC[C@@H]1C[C@@]1([NH2+]Cc1ccc(C#N)cc1F)c1cccc(C)c1 ZINC000500492857 340060595 /nfs/dbraw/zinc/06/05/95/340060595.db2.gz ABTXSOZTUQFNAQ-XLIONFOSSA-N 1 0 308.400 4.421 20 30 DIEDRO CC[C@H]1C[C@]1([NH2+]Cc1ccc(C#N)c(OC)c1)c1cccc(C)c1 ZINC000500532829 340061568 /nfs/dbraw/zinc/06/15/68/340061568.db2.gz LIYBIWDKTZNIHE-GHTZIAJQSA-N 1 0 320.436 4.290 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)cc(OC)c1O ZINC000500892212 340069234 /nfs/dbraw/zinc/06/92/34/340069234.db2.gz GTOUAXJIVRKGDT-GRDNDAEWSA-N 1 0 303.446 4.044 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)cc(OC)c1O ZINC000500892213 340069235 /nfs/dbraw/zinc/06/92/35/340069235.db2.gz GTOUAXJIVRKGDT-JJRVBVJISA-N 1 0 303.446 4.044 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000501202516 340076151 /nfs/dbraw/zinc/07/61/51/340076151.db2.gz JAAZNXKJVHLYPZ-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO C[C@H]1CC[N@H+](CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000501529099 340082868 /nfs/dbraw/zinc/08/28/68/340082868.db2.gz CZVZVIZHFQUUPB-SWLSCSKDSA-N 1 0 308.347 4.392 20 30 DIEDRO N#CC1(C[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)CC1 ZINC000501529046 340082892 /nfs/dbraw/zinc/08/28/92/340082892.db2.gz CGPKTJGKZXIPAB-HXUWFJFHSA-N 1 0 302.421 4.132 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC2(C#N)CC2)C1 ZINC000501543158 340083294 /nfs/dbraw/zinc/08/32/94/340083294.db2.gz XENXHZZDTJGJEZ-SWLSCSKDSA-N 1 0 308.347 4.392 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502386055 340101338 /nfs/dbraw/zinc/10/13/38/340101338.db2.gz FRPIOQDNDJDPRT-HZPDHXFCSA-N 1 0 305.462 4.278 20 30 DIEDRO COc1cccc([C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502506936 340106322 /nfs/dbraw/zinc/10/63/22/340106322.db2.gz LVDNGQATYMBFDR-MRXNPFEDSA-N 1 0 318.420 4.417 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+]([C@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000502553696 340107630 /nfs/dbraw/zinc/10/76/30/340107630.db2.gz NBBNLDZBTGZOFI-NRFANRHFSA-N 1 0 318.395 4.474 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)cc1 ZINC000502563330 340107847 /nfs/dbraw/zinc/10/78/47/340107847.db2.gz MSFOOUUNIBBSGO-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO C[C@H]1C[C@]1([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)cc1 ZINC000503372847 340126602 /nfs/dbraw/zinc/12/66/02/340126602.db2.gz HGEGMHCQVGZZQI-KPZWWZAWSA-N 1 0 314.791 4.376 20 30 DIEDRO C=CCCc1ccccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000504276497 340144164 /nfs/dbraw/zinc/14/41/64/340144164.db2.gz FHGXATWKWJJHSV-UHFFFAOYSA-N 1 0 308.425 4.119 20 30 DIEDRO CCCCCn1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC000504377676 340146426 /nfs/dbraw/zinc/14/64/26/340146426.db2.gz ZVHRYFXDCMTXTF-OAHLLOKOSA-N 1 0 310.445 4.104 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505867378 340180071 /nfs/dbraw/zinc/18/00/71/340180071.db2.gz BQXMETKNDGIOTO-FUHWJXTLSA-N 1 0 306.409 4.020 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000505908416 340181338 /nfs/dbraw/zinc/18/13/38/340181338.db2.gz WQOHJEVPEBIYRY-UHFFFAOYSA-N 1 0 314.454 4.205 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1cccc(-n2cccn2)c1 ZINC000506005447 340183052 /nfs/dbraw/zinc/18/30/52/340183052.db2.gz WQUVGGMJUGGKRH-UHFFFAOYSA-N 1 0 309.438 4.122 20 30 DIEDRO C=CCN(Cc1ccc(Cl)s1)Cc1ccc2c[nH]nc2c1 ZINC000506111324 340185951 /nfs/dbraw/zinc/18/59/51/340185951.db2.gz AXHIHQPKWDNSRD-UHFFFAOYSA-N 1 0 317.845 4.466 20 30 DIEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccc(C#N)o2)cc1 ZINC000506129422 340186356 /nfs/dbraw/zinc/18/63/56/340186356.db2.gz XNQVXSFPBWIDSE-IBGZPJMESA-N 1 0 310.397 4.277 20 30 DIEDRO COc1ccc2ccccc2c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000506180223 340187874 /nfs/dbraw/zinc/18/78/74/340187874.db2.gz SCIBEGOVRIDIOJ-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)C2CCCC2)ccc1OC ZINC000506276695 340190826 /nfs/dbraw/zinc/19/08/26/340190826.db2.gz DIMQLRMWTVOSOH-HNNXBMFYSA-N 1 0 303.446 4.318 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000506497071 340195748 /nfs/dbraw/zinc/19/57/48/340195748.db2.gz UGZTYJPDGJDXKR-MRXNPFEDSA-N 1 0 308.425 4.020 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000506609147 340197457 /nfs/dbraw/zinc/19/74/57/340197457.db2.gz BKRYYPQNASHLSK-AWEZNQCLSA-N 1 0 312.369 4.010 20 30 DIEDRO C=CCOc1cccc(CN(C)Cc2nc3ccccc3s2)c1 ZINC000506724627 340200139 /nfs/dbraw/zinc/20/01/39/340200139.db2.gz BOJKIXNYZFWAPL-UHFFFAOYSA-N 1 0 324.449 4.493 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1cc(C#N)cs1 ZINC000507140564 340209358 /nfs/dbraw/zinc/20/93/58/340209358.db2.gz FPVBNCSGKGADLK-SFHVURJKSA-N 1 0 312.438 4.138 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)s1 ZINC000507143620 340209483 /nfs/dbraw/zinc/20/94/83/340209483.db2.gz NPHLQUPRHFUXIT-SFHVURJKSA-N 1 0 312.438 4.138 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2cc[nH]c21 ZINC000507144157 340209510 /nfs/dbraw/zinc/20/95/10/340209510.db2.gz OFXHDNMFVSITGT-UHFFFAOYSA-N 1 0 303.409 4.450 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000507192222 340212395 /nfs/dbraw/zinc/21/23/95/340212395.db2.gz RNALYLNGIXKPDZ-BOPFTXTBSA-N 1 0 320.436 4.240 20 30 DIEDRO C[N@H+](Cc1cnc(-c2ccccc2)s1)Cc1ccc(C#N)cc1 ZINC000507242537 340215195 /nfs/dbraw/zinc/21/51/95/340215195.db2.gz GPHSTZBXCKCOOM-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCOC1 ZINC000507495358 340222787 /nfs/dbraw/zinc/22/27/87/340222787.db2.gz LUZYVQPNMTUYMJ-OXQOHEQNSA-N 1 0 320.436 4.130 20 30 DIEDRO C[C@@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCS1 ZINC000507647735 340227180 /nfs/dbraw/zinc/22/71/80/340227180.db2.gz CKTQKXVVVNYASX-XBMUEBEBSA-N 1 0 314.498 4.266 20 30 DIEDRO C[C@@H](C[NH+]1CCC(C)(C#N)CC1)c1cccc(Br)c1 ZINC000507708136 340229052 /nfs/dbraw/zinc/22/90/52/340229052.db2.gz MBOLMHVLSXQOJY-ZDUSSCGKSA-N 1 0 321.262 4.178 20 30 DIEDRO CC(C)C[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000507726092 340229619 /nfs/dbraw/zinc/22/96/19/340229619.db2.gz OVZHUYXIMFBKQB-UHFFFAOYSA-N 1 0 318.424 4.093 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000507738435 340229969 /nfs/dbraw/zinc/22/99/69/340229969.db2.gz IKCSQNBIEVVRQK-UHFFFAOYSA-N 1 0 323.396 4.125 20 30 DIEDRO C=C(C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000507875291 340234703 /nfs/dbraw/zinc/23/47/03/340234703.db2.gz PFNLPCBVGJQFAB-UHFFFAOYSA-N 1 0 315.457 4.190 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1 ZINC000508533107 340246092 /nfs/dbraw/zinc/24/60/92/340246092.db2.gz XEUCBMXKIISMBF-UHFFFAOYSA-N 1 0 303.409 4.265 20 30 DIEDRO C=C(C)CCc1noc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000508634897 340249000 /nfs/dbraw/zinc/24/90/00/340249000.db2.gz XDHJIMOJDJGCNT-UHFFFAOYSA-N 1 0 311.429 4.231 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2cc[nH]c21 ZINC000508634910 340249007 /nfs/dbraw/zinc/24/90/07/340249007.db2.gz GVTVGCVROVFILO-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000509055083 340259897 /nfs/dbraw/zinc/25/98/97/340259897.db2.gz KYJJXNPBJNYCPF-QPJJXVBHSA-N 1 0 318.420 4.115 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000509260703 340264766 /nfs/dbraw/zinc/26/47/66/340264766.db2.gz UVBZQKAFIFNNDO-UHFFFAOYSA-N 1 0 311.372 4.227 20 30 DIEDRO CCN(Cc1cc(Br)ccc1Cl)C[C@H](C)C#N ZINC000509767689 340278646 /nfs/dbraw/zinc/27/86/46/340278646.db2.gz VJZQABVPRJLFPJ-SNVBAGLBSA-N 1 0 315.642 4.084 20 30 DIEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H](C)c1cccc(Br)c1 ZINC000509776203 340278772 /nfs/dbraw/zinc/27/87/72/340278772.db2.gz XRUQGLXOIMOPGY-QWHCGFSZSA-N 1 0 309.251 4.034 20 30 DIEDRO CCOc1cc(CN(CC)C[C@H](C)C#N)ccc1OCC(C)C ZINC000509798803 340279432 /nfs/dbraw/zinc/27/94/32/340279432.db2.gz JVJCBYNOEJYZNU-MRXNPFEDSA-N 1 0 318.461 4.102 20 30 DIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)CC(C)(C)CCC#N ZINC000510422659 340299002 /nfs/dbraw/zinc/29/90/02/340299002.db2.gz XHROTSUZVXXZTP-UHFFFAOYSA-N 1 0 308.853 4.371 20 30 DIEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccc(C#N)s1 ZINC000510470054 340300521 /nfs/dbraw/zinc/30/05/21/340300521.db2.gz SQHZCAQAJCTGLU-UHFFFAOYSA-N 1 0 320.845 4.174 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(OCCC(C)C)CC1 ZINC000510489776 340300963 /nfs/dbraw/zinc/30/09/63/340300963.db2.gz OMJZWUKXXKCZKL-UHFFFAOYSA-N 1 0 317.473 4.279 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000510554534 340302573 /nfs/dbraw/zinc/30/25/73/340302573.db2.gz RABYDVGRBYRDQM-UITAMQMPSA-N 1 0 318.420 4.115 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510654116 340305126 /nfs/dbraw/zinc/30/51/26/340305126.db2.gz VWYUPPWYZCRILG-AWEZNQCLSA-N 1 0 315.379 4.209 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000510714925 340307708 /nfs/dbraw/zinc/30/77/08/340307708.db2.gz HNWPJEIOCSCXHR-UHFFFAOYSA-N 1 0 318.892 4.216 20 30 DIEDRO CC(C)(C)c1cccc(OCCC[NH+]2CCC(F)(C#N)CC2)c1 ZINC000510939298 340315667 /nfs/dbraw/zinc/31/56/67/340315667.db2.gz YQMUYXIJSQVJIN-UHFFFAOYSA-N 1 0 318.436 4.081 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1F)CC1CCCCC1 ZINC000303435010 340325454 /nfs/dbraw/zinc/32/54/54/340325454.db2.gz FXWOVGAAKZVIOT-UHFFFAOYSA-N 1 0 318.436 4.223 20 30 DIEDRO C[N@H+](CCc1ccc2ccccc2c1)Cc1cccc(C#N)c1 ZINC000511736059 340336718 /nfs/dbraw/zinc/33/67/18/340336718.db2.gz KVFXIASUALLMSP-UHFFFAOYSA-N 1 0 300.405 4.386 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000511843783 340340123 /nfs/dbraw/zinc/34/01/23/340340123.db2.gz ONHOPVBJZYTYEV-PWRODBHTSA-N 1 0 302.421 4.326 20 30 DIEDRO C=CC[N@@H+](Cc1sccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000512378820 340359547 /nfs/dbraw/zinc/35/95/47/340359547.db2.gz BNTKCQVNOCQLDA-UHFFFAOYSA-N 1 0 302.399 4.153 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000512411294 340360876 /nfs/dbraw/zinc/36/08/76/340360876.db2.gz XIHUFGOJJAFJKD-UHFFFAOYSA-N 1 0 315.388 4.079 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000512434197 340361619 /nfs/dbraw/zinc/36/16/19/340361619.db2.gz VDPBGIRJQWOAMB-CXAGYDPISA-N 1 0 312.363 4.214 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c1F ZINC000512444256 340362062 /nfs/dbraw/zinc/36/20/62/340362062.db2.gz MJNHBSPQPUIGMS-LJQANCHMSA-N 1 0 312.363 4.467 20 30 DIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000512458344 340362523 /nfs/dbraw/zinc/36/25/23/340362523.db2.gz ZQQRIXQYCTVNNC-IBGZPJMESA-N 1 0 323.415 4.100 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000173395499 340364108 /nfs/dbraw/zinc/36/41/08/340364108.db2.gz HYACJEPPJZQTAT-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3nc(C)ccc3c2)cc1 ZINC000512537657 340366103 /nfs/dbraw/zinc/36/61/03/340366103.db2.gz WHYPGNQNITWESY-UHFFFAOYSA-N 1 0 318.420 4.398 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000512551566 340366551 /nfs/dbraw/zinc/36/65/51/340366551.db2.gz FGPFPNYNAYRBCM-AZUAARDMSA-N 1 0 322.452 4.462 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000512569499 340367243 /nfs/dbraw/zinc/36/72/43/340367243.db2.gz OYWCNHQHRWEFOY-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2c(F)cccc2SC)cc1 ZINC000512570193 340367399 /nfs/dbraw/zinc/36/73/99/340367399.db2.gz SSYDGEQCTQLOMF-UHFFFAOYSA-N 1 0 317.429 4.402 20 30 DIEDRO CCO[C@@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000512611805 340368913 /nfs/dbraw/zinc/36/89/13/340368913.db2.gz MNRDWWPPRMROSO-LIRRHRJNSA-N 1 0 318.436 4.333 20 30 DIEDRO CCC(CC)[C@H](CC[NH2+][C@H](C)c1ccc(C#N)cc1F)OC ZINC000512614228 340369046 /nfs/dbraw/zinc/36/90/46/340369046.db2.gz VHEPZDRJJSKOGG-ACJLOTCBSA-N 1 0 306.425 4.189 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512620075 340369312 /nfs/dbraw/zinc/36/93/12/340369312.db2.gz OTOLUXVGJVVSMD-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512626557 340369721 /nfs/dbraw/zinc/36/97/21/340369721.db2.gz VIETXFVKWQLRLC-CQSZACIVSA-N 1 0 324.399 4.088 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)c1ccccc1F)c1ccc(C#N)cc1F ZINC000512625728 340369749 /nfs/dbraw/zinc/36/97/49/340369749.db2.gz QBXOHPZONWDCDD-ZDUSSCGKSA-N 1 0 314.379 4.465 20 30 DIEDRO C[C@@H]([NH2+]CCc1cc2ccccc2o1)c1ccc(C#N)cc1F ZINC000512641165 340370512 /nfs/dbraw/zinc/37/05/12/340370512.db2.gz DSVNRTWUADZTJG-CYBMUJFWSA-N 1 0 308.356 4.337 20 30 DIEDRO C[C@@H]([NH2+]CCCOC1CCCCC1)c1ccc(C#N)cc1F ZINC000512649114 340370899 /nfs/dbraw/zinc/37/08/99/340370899.db2.gz QNDLDLAUYZPCOD-CQSZACIVSA-N 1 0 304.409 4.087 20 30 DIEDRO Cc1cccc(C)c1OCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512649710 340370971 /nfs/dbraw/zinc/37/09/71/340370971.db2.gz UAOVXLVAQHCXFU-OAHLLOKOSA-N 1 0 312.388 4.044 20 30 DIEDRO Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512654792 340371309 /nfs/dbraw/zinc/37/13/09/340371309.db2.gz OVNMWBUWRZIKSD-GJZGRUSLSA-N 1 0 312.388 4.124 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512655778 340371403 /nfs/dbraw/zinc/37/14/03/340371403.db2.gz WLXBGEZSMDNEFF-AFAVFJNCSA-N 1 0 306.450 4.412 20 30 DIEDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512660141 340371571 /nfs/dbraw/zinc/37/15/71/340371571.db2.gz LIBBIIQSOLAIBW-GJZGRUSLSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1F ZINC000512659589 340371641 /nfs/dbraw/zinc/37/16/41/340371641.db2.gz IIMFXDMEXBVQNO-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO C[C@H]([NH2+]CCC1Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512661751 340371716 /nfs/dbraw/zinc/37/17/16/340371716.db2.gz UBBWGEIKTVMROT-AWEZNQCLSA-N 1 0 308.400 4.153 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1F ZINC000512665018 340371849 /nfs/dbraw/zinc/37/18/49/340371849.db2.gz CTAWCTHDFUHLFP-VHKYSDTDSA-N 1 0 324.399 4.268 20 30 DIEDRO C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1F ZINC000512668573 340372227 /nfs/dbraw/zinc/37/22/27/340372227.db2.gz VUCCQQSFOZCVRI-AWEZNQCLSA-N 1 0 321.399 4.462 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000512674626 340372436 /nfs/dbraw/zinc/37/24/36/340372436.db2.gz YFUBQYSPCJZGTJ-WCFLWFBJSA-N 1 0 314.326 4.469 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000512766577 340376571 /nfs/dbraw/zinc/37/65/71/340376571.db2.gz HNQZYWOTXRMGKP-UHFFFAOYSA-N 1 0 302.437 4.410 20 30 DIEDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000513071486 340391917 /nfs/dbraw/zinc/39/19/17/340391917.db2.gz YBPYZEBFRUYKSB-FOIQADDNSA-N 1 0 306.409 4.025 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(OC(C)C)c2)cc1 ZINC000513104579 340393515 /nfs/dbraw/zinc/39/35/15/340393515.db2.gz KTJOPKDEGXUAEU-UHFFFAOYSA-N 1 0 311.425 4.328 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000174816776 340396652 /nfs/dbraw/zinc/39/66/52/340396652.db2.gz BSHQNBKQQHLOBU-UHFFFAOYSA-N 1 0 314.351 4.347 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000513442441 340407763 /nfs/dbraw/zinc/40/77/63/340407763.db2.gz GWAHNTVINHMOHC-SEVFCGSRSA-N 1 0 305.849 4.157 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OC)c3ccccc32)CC1 ZINC000177906976 340445304 /nfs/dbraw/zinc/44/53/04/340445304.db2.gz RVEJPPFOFULMEZ-INIZCTEOSA-N 1 0 324.468 4.149 20 30 DIEDRO CC1(C)CC[C@@H]2C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c3cccc1c32 ZINC000517230977 340466135 /nfs/dbraw/zinc/46/61/35/340466135.db2.gz MBIHZENTSBYKNT-HDMKZQKVSA-N 1 0 307.441 4.320 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000517306101 340467685 /nfs/dbraw/zinc/46/76/85/340467685.db2.gz DSOXXJMTTDJBHU-UHFFFAOYSA-N 1 0 315.848 4.341 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000185171441 340498596 /nfs/dbraw/zinc/49/85/96/340498596.db2.gz MVSRCSPJAFZHFU-UHFFFAOYSA-N 1 0 303.352 4.479 20 30 DIEDRO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)C ZINC000191013617 340549209 /nfs/dbraw/zinc/54/92/09/340549209.db2.gz CAGRIIWWHXTNQQ-IBGZPJMESA-N 1 0 321.424 4.438 20 30 DIEDRO CCC(CC)([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191084270 340549693 /nfs/dbraw/zinc/54/96/93/340549693.db2.gz FWAZZLICUQXEDC-UHFFFAOYSA-N 1 0 315.848 4.355 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191562966 340555780 /nfs/dbraw/zinc/55/57/80/340555780.db2.gz HPRXISNMFSBOSZ-UKRRQHHQSA-N 1 0 315.417 4.141 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000192160435 340563701 /nfs/dbraw/zinc/56/37/01/340563701.db2.gz NNFVJLCDWXPTLD-UHFFFAOYSA-N 1 0 304.315 4.000 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)s2)ccc1C#N ZINC000234950043 340655405 /nfs/dbraw/zinc/65/54/05/340655405.db2.gz UMQXOURWQKCBGZ-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000237790319 340673966 /nfs/dbraw/zinc/67/39/66/340673966.db2.gz RTEKRHFPACOKLT-GJZGRUSLSA-N 1 0 313.363 4.462 20 30 DIEDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000525996955 340708028 /nfs/dbraw/zinc/70/80/28/340708028.db2.gz ZOVIWKNVIOZUMA-HZPDHXFCSA-N 1 0 306.409 4.120 20 30 DIEDRO Clc1cccc(C#CC[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000528659066 340728347 /nfs/dbraw/zinc/72/83/47/340728347.db2.gz NSHBXIHQRQCYLK-LJQANCHMSA-N 1 0 310.828 4.218 20 30 DIEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000537984200 340795562 /nfs/dbraw/zinc/79/55/62/340795562.db2.gz LRCRMSQTPDUMQI-PMACEKPBSA-N 1 0 324.399 4.002 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1csc(Br)c1)C1CC1 ZINC000125291208 340803464 /nfs/dbraw/zinc/80/34/64/340803464.db2.gz MRMBRFBKOCBEFT-GFCCVEGCSA-N 1 0 300.265 4.345 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC000537986038 340805607 /nfs/dbraw/zinc/80/56/07/340805607.db2.gz FSARRQWDYWFHNG-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000538396718 340821023 /nfs/dbraw/zinc/82/10/23/340821023.db2.gz WIOFWEKVMYZEFP-ZDUSSCGKSA-N 1 0 314.816 4.114 20 30 DIEDRO CCc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000538397875 340821032 /nfs/dbraw/zinc/82/10/32/340821032.db2.gz YEJWSPBQLODSNT-IIBYNOLFSA-N 1 0 321.468 4.074 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000538409615 340821902 /nfs/dbraw/zinc/82/19/02/340821902.db2.gz RWKBUNTUVABPJC-NJSLBKSFSA-N 1 0 312.388 4.124 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000539071495 340870436 /nfs/dbraw/zinc/87/04/36/340870436.db2.gz QDRWWXOXQDHNNW-GJZGRUSLSA-N 1 0 303.450 4.176 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000539071494 340870472 /nfs/dbraw/zinc/87/04/72/340870472.db2.gz QDRWWXOXQDHNNW-CABCVRRESA-N 1 0 303.450 4.176 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(F)c1 ZINC000539073193 340870609 /nfs/dbraw/zinc/87/06/09/340870609.db2.gz JKLISOMLHBRBPS-CQSZACIVSA-N 1 0 314.429 4.281 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000539262421 340879028 /nfs/dbraw/zinc/87/90/28/340879028.db2.gz HUELDZIOOGDCSG-HXUWFJFHSA-N 1 0 308.425 4.362 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000539494997 340887193 /nfs/dbraw/zinc/88/71/93/340887193.db2.gz BFDIIJHLUXZGOF-QWHCGFSZSA-N 1 0 300.352 4.291 20 30 DIEDRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000539497806 340887636 /nfs/dbraw/zinc/88/76/36/340887636.db2.gz YPJPQRVFOKCJOF-CVEARBPZSA-N 1 0 308.425 4.411 20 30 DIEDRO C[C@H]([NH2+]CCc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000539498092 340887772 /nfs/dbraw/zinc/88/77/72/340887772.db2.gz FNKAJJVYWDVADH-ZDUSSCGKSA-N 1 0 318.342 4.470 20 30 DIEDRO COc1ccc(CC[NH2+][C@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000539497601 340887790 /nfs/dbraw/zinc/88/77/90/340887790.db2.gz NSLVWNWNKSHOSB-CYBMUJFWSA-N 1 0 314.816 4.114 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000539499365 340887990 /nfs/dbraw/zinc/88/79/90/340887990.db2.gz PRAMLVKSTZLEAS-GKCIPKSASA-N 1 0 324.399 4.268 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCOC1 ZINC000540316752 340926548 /nfs/dbraw/zinc/92/65/48/340926548.db2.gz QKLWAGXKZGPANA-CTNGQTDRSA-N 1 0 320.436 4.130 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000540609660 340938785 /nfs/dbraw/zinc/93/87/85/340938785.db2.gz WIFWBPQPCBRNSA-KSMMKXTCSA-N 1 0 312.388 4.124 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000540995064 340954966 /nfs/dbraw/zinc/95/49/66/340954966.db2.gz IGVQVUUCFYDMFI-UHFFFAOYSA-N 1 0 314.763 4.067 20 30 DIEDRO N#CCc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000541350257 340968320 /nfs/dbraw/zinc/96/83/20/340968320.db2.gz XITRVPHIOCFQBY-UHFFFAOYSA-N 1 0 308.400 4.271 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000542257230 341002195 /nfs/dbraw/zinc/00/21/95/341002195.db2.gz KSEIVOPUWUPUHJ-MRXNPFEDSA-N 1 0 308.425 4.391 20 30 DIEDRO N#CCc1ccc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000542280873 341003421 /nfs/dbraw/zinc/00/34/21/341003421.db2.gz VMWFROGKXNXDAN-UHFFFAOYSA-N 1 0 308.400 4.099 20 30 DIEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCCC#N ZINC000542501026 341010677 /nfs/dbraw/zinc/01/06/77/341010677.db2.gz NOTMFUGWLJZSGB-OAHLLOKOSA-N 1 0 309.251 4.054 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000542699390 341017875 /nfs/dbraw/zinc/01/78/75/341017875.db2.gz GZTPJJAKALKMIU-UHFFFAOYSA-N 1 0 323.396 4.187 20 30 DIEDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542943260 341027005 /nfs/dbraw/zinc/02/70/05/341027005.db2.gz HAESTLSONLUJRT-HOTGVXAUSA-N 1 0 308.425 4.301 20 30 DIEDRO C[C@@H](Cc1ccsc1)[NH2+]CCSCc1ccccc1C#N ZINC000543070807 341030435 /nfs/dbraw/zinc/03/04/35/341030435.db2.gz HPBJAIOUBOHYKL-AWEZNQCLSA-N 1 0 316.495 4.074 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000543131530 341033298 /nfs/dbraw/zinc/03/32/98/341033298.db2.gz MXVCKYPDNGTOPZ-HXUWFJFHSA-N 1 0 308.400 4.099 20 30 DIEDRO Cc1cccc(NC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)c1 ZINC000543140050 341033780 /nfs/dbraw/zinc/03/37/80/341033780.db2.gz YYGUVVFHDYEHLL-UHFFFAOYSA-N 1 0 319.452 4.138 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccccc2C#N)c1 ZINC000543175856 341035321 /nfs/dbraw/zinc/03/53/21/341035321.db2.gz JYQGWJJMUPJFRP-FOIQADDNSA-N 1 0 306.409 4.150 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000543182023 341035607 /nfs/dbraw/zinc/03/56/07/341035607.db2.gz MKJWYEPLRNUWKU-KUHUBIRLSA-N 1 0 324.399 4.289 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000543185233 341035812 /nfs/dbraw/zinc/03/58/12/341035812.db2.gz WIWRRBQKCPMVBL-FQEVSTJZSA-N 1 0 308.425 4.248 20 30 DIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000543185803 341035886 /nfs/dbraw/zinc/03/58/86/341035886.db2.gz PFSPYULMVPDSPL-UHFFFAOYSA-N 1 0 302.780 4.177 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)c1 ZINC000543187713 341036038 /nfs/dbraw/zinc/03/60/38/341036038.db2.gz HMCLNPRSGSWSGX-MRXNPFEDSA-N 1 0 308.425 4.391 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000543209676 341036926 /nfs/dbraw/zinc/03/69/26/341036926.db2.gz YWSOATAWPSWLTE-QRWLVFNGSA-N 1 0 308.400 4.475 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCCS2)ccc1OC ZINC000543237141 341037486 /nfs/dbraw/zinc/03/74/86/341037486.db2.gz RFVPURYEFQJHHU-INIZCTEOSA-N 1 0 321.486 4.025 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543415028 341043170 /nfs/dbraw/zinc/04/31/70/341043170.db2.gz FIVMWFIZBRAJAY-LIRRHRJNSA-N 1 0 308.450 4.381 20 30 DIEDRO N#CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000543426949 341043987 /nfs/dbraw/zinc/04/39/87/341043987.db2.gz AXICWIDXOWVTPR-KRWDZBQOSA-N 1 0 302.780 4.462 20 30 DIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](CC(C)C)c1cccs1 ZINC000543487127 341047106 /nfs/dbraw/zinc/04/71/06/341047106.db2.gz KYZLDUOSUWCZSP-JKSUJKDBSA-N 1 0 320.502 4.014 20 30 DIEDRO COc1ccccc1C[C@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)C ZINC000543492930 341047412 /nfs/dbraw/zinc/04/74/12/341047412.db2.gz MSOCKQJDQUNAPK-FQEVSTJZSA-N 1 0 322.452 4.118 20 30 DIEDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543874140 341062177 /nfs/dbraw/zinc/06/21/77/341062177.db2.gz YPIREJNKGNFZJG-MRXNPFEDSA-N 1 0 320.436 4.302 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000544121598 341071141 /nfs/dbraw/zinc/07/11/41/341071141.db2.gz JWMRTASQYQBJPR-MRXNPFEDSA-N 1 0 308.425 4.391 20 30 DIEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000544144052 341072111 /nfs/dbraw/zinc/07/21/11/341072111.db2.gz OEUCWQUYZHADCQ-UWJYYQICSA-N 1 0 304.437 4.206 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000544421885 341081594 /nfs/dbraw/zinc/08/15/94/341081594.db2.gz OOZNOQIMRPWKMI-VXGBXAGGSA-N 1 0 317.399 4.458 20 30 DIEDRO CC[C@H](CSc1ccccc1)[NH2+]Cc1cc(C#N)cs1 ZINC000131724145 341110067 /nfs/dbraw/zinc/11/00/67/341110067.db2.gz VCRMOMOYWCEHOX-CQSZACIVSA-N 1 0 302.468 4.280 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545157455 341110734 /nfs/dbraw/zinc/11/07/34/341110734.db2.gz JKLQJYCMDCVNPX-AEFFLSMTSA-N 1 0 317.864 4.497 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000132233493 341119120 /nfs/dbraw/zinc/11/91/20/341119120.db2.gz JTGPSVZCWFXXSE-UHFFFAOYSA-N 1 0 300.471 4.031 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000545506649 341127650 /nfs/dbraw/zinc/12/76/50/341127650.db2.gz TUFFPSCIKZKKLW-OAHLLOKOSA-N 1 0 320.436 4.296 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000545983725 341149531 /nfs/dbraw/zinc/14/95/31/341149531.db2.gz HUBRRZLQWBGXST-UHFFFAOYSA-N 1 0 306.400 4.159 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCC1 ZINC000546227322 341157923 /nfs/dbraw/zinc/15/79/23/341157923.db2.gz UEXXTUPDUSQHLE-INIZCTEOSA-N 1 0 320.436 4.339 20 30 DIEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000546667800 341178027 /nfs/dbraw/zinc/17/80/27/341178027.db2.gz FJRKWTJNIRAIRO-CQSZACIVSA-N 1 0 307.846 4.095 20 30 DIEDRO CC(C)(C)c1ccc(OCC[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000236596157 341188316 /nfs/dbraw/zinc/18/83/16/341188316.db2.gz QDEWMMJMVMVTAW-UHFFFAOYSA-N 1 0 314.454 4.086 20 30 DIEDRO C=C(C[NH2+]Cc1sccc1Br)c1ccccc1 ZINC000134369267 341214169 /nfs/dbraw/zinc/21/41/69/341214169.db2.gz CQPOWIKRUCMWPV-UHFFFAOYSA-N 1 0 308.244 4.314 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+]CC(C)(C)CCC#N ZINC000237614237 341216504 /nfs/dbraw/zinc/21/65/04/341216504.db2.gz BOPMPLYITBATMZ-UHFFFAOYSA-N 1 0 308.853 4.337 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000077170567 341219752 /nfs/dbraw/zinc/21/97/52/341219752.db2.gz XPOOUBMZPXPRMA-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OCCC ZINC000134748477 341223089 /nfs/dbraw/zinc/22/30/89/341223089.db2.gz GDMMQYADPMMWOC-LBPRGKRZSA-N 1 0 312.251 4.292 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000547883214 341238795 /nfs/dbraw/zinc/23/87/95/341238795.db2.gz GALRVRPIZVIRDV-FUHWJXTLSA-N 1 0 300.446 4.215 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(C(F)(F)F)cc1 ZINC000135674989 341243749 /nfs/dbraw/zinc/24/37/49/341243749.db2.gz OKBDLAGWORBBNB-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)s1 ZINC000135673672 341243754 /nfs/dbraw/zinc/24/37/54/341243754.db2.gz JIBFAJGZHOWONL-CQSZACIVSA-N 1 0 304.415 4.086 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)c1 ZINC000135680225 341244075 /nfs/dbraw/zinc/24/40/75/341244075.db2.gz RUXWLDPGNRVMHH-ZDUSSCGKSA-N 1 0 300.427 4.258 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@H](CC)C1CCOCC1)c1ccc(F)c(F)c1 ZINC000548158002 341250163 /nfs/dbraw/zinc/25/01/63/341250163.db2.gz HARQRDCCHPYHJC-QZTJIDSGSA-N 1 0 309.400 4.377 20 30 DIEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000548488192 341263647 /nfs/dbraw/zinc/26/36/47/341263647.db2.gz YNRWPVCWHQATGA-RDJZCZTQSA-N 1 0 324.428 4.057 20 30 DIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000080206369 341270780 /nfs/dbraw/zinc/27/07/80/341270780.db2.gz QDJRRTHWLYYXNC-IBGZPJMESA-N 1 0 308.425 4.444 20 30 DIEDRO N#CCSCCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000080722081 341274722 /nfs/dbraw/zinc/27/47/22/341274722.db2.gz UPDSJTUAPAGRMR-IBGZPJMESA-N 1 0 310.466 4.207 20 30 DIEDRO C=CCC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549035758 341284086 /nfs/dbraw/zinc/28/40/86/341284086.db2.gz IVZLVXDUYNDPIQ-IAGOWNOFSA-N 1 0 310.844 4.169 20 30 DIEDRO COc1ccc([C@H](CCC#N)[NH2+]CC(C)(C)C(F)(F)F)cc1 ZINC000549039214 341284322 /nfs/dbraw/zinc/28/43/22/341284322.db2.gz GSUIVPCBWXSPIV-AWEZNQCLSA-N 1 0 314.351 4.218 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000549136922 341286769 /nfs/dbraw/zinc/28/67/69/341286769.db2.gz VCEGISNSTQOKNW-HXUWFJFHSA-N 1 0 322.452 4.139 20 30 DIEDRO CC[C@H]1C[N@H+](CCCSCC#N)CC[C@H]1c1ccccc1 ZINC000245408573 341291652 /nfs/dbraw/zinc/29/16/52/341291652.db2.gz HXSWVWLRHMJGRR-FUHWJXTLSA-N 1 0 302.487 4.149 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)Cc1ccccc1 ZINC000549410717 341293737 /nfs/dbraw/zinc/29/37/37/341293737.db2.gz KFANSGJWRBRTFY-UHFFFAOYSA-N 1 0 323.465 4.337 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)c1 ZINC000549805825 341303576 /nfs/dbraw/zinc/30/35/76/341303576.db2.gz RPXHVMWMBXVPOK-GOSISDBHSA-N 1 0 310.441 4.290 20 30 DIEDRO N#Cc1cccc(C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000549832908 341304409 /nfs/dbraw/zinc/30/44/09/341304409.db2.gz POCSLLLZKOOGPI-QGZVFWFLSA-N 1 0 318.342 4.384 20 30 DIEDRO N#CC(CC[N@H+]1CCC[C@@H]1CF)(c1ccccc1)c1ccccc1 ZINC000550029756 341308891 /nfs/dbraw/zinc/30/88/91/341308891.db2.gz VZTXBRPGYNAHTO-HXUWFJFHSA-N 1 0 322.427 4.320 20 30 DIEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1 ZINC000245915387 341318040 /nfs/dbraw/zinc/31/80/40/341318040.db2.gz PYDNCECEDJUQSO-WQVCFCJDSA-N 1 0 308.878 4.274 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1 ZINC000245915383 341318133 /nfs/dbraw/zinc/31/81/33/341318133.db2.gz PYDNCECEDJUQSO-KCXAZCMYSA-N 1 0 308.878 4.274 20 30 DIEDRO C=C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000550809193 341323467 /nfs/dbraw/zinc/32/34/67/341323467.db2.gz GKIHKLMIHMWYJF-QGZVFWFLSA-N 1 0 308.425 4.047 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000550855686 341324527 /nfs/dbraw/zinc/32/45/27/341324527.db2.gz CKOPYCTUUIAXNH-LBPRGKRZSA-N 1 0 305.853 4.480 20 30 DIEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000246114063 341327335 /nfs/dbraw/zinc/32/73/35/341327335.db2.gz ILLBNGHLZGPWHK-LQAWEQHXSA-N 1 0 300.789 4.292 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(C3CC3)c2)ccc1C#N ZINC000551197556 341333858 /nfs/dbraw/zinc/33/38/58/341333858.db2.gz FXRIJHXJNDMPQS-CQSZACIVSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CCOCC1 ZINC000551221670 341334245 /nfs/dbraw/zinc/33/42/45/341334245.db2.gz FSVBXQVLUCDQIZ-RBUKOAKNSA-N 1 0 300.446 4.216 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551238393 341334803 /nfs/dbraw/zinc/33/48/03/341334803.db2.gz BZULSMFJCUJVDE-BXUZGUMPSA-N 1 0 317.845 4.245 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)c(F)c1 ZINC000551660247 341348272 /nfs/dbraw/zinc/34/82/72/341348272.db2.gz ULLBAMRAQFWPCW-INIZCTEOSA-N 1 0 306.381 4.385 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCCCC)cc1 ZINC000551778638 341350975 /nfs/dbraw/zinc/35/09/75/341350975.db2.gz LBTNZSOJPUKSIS-QRFRQXIXSA-N 1 0 317.473 4.497 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551811348 341352540 /nfs/dbraw/zinc/35/25/40/341352540.db2.gz JWGNNZOYYYKSCK-OAHLLOKOSA-N 1 0 322.477 4.490 20 30 DIEDRO CC(C)CC(C)(C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552063100 341366384 /nfs/dbraw/zinc/36/63/84/341366384.db2.gz PDJJOQFGCWUKMA-UHFFFAOYSA-N 1 0 313.489 4.189 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000552087016 341368479 /nfs/dbraw/zinc/36/84/79/341368479.db2.gz YHKIQHGSXANDBF-FHLIZLRMSA-N 1 0 318.848 4.090 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000552087017 341368501 /nfs/dbraw/zinc/36/85/01/341368501.db2.gz YHKIQHGSXANDBF-JLSDUUJJSA-N 1 0 318.848 4.090 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000552087019 341368623 /nfs/dbraw/zinc/36/86/23/341368623.db2.gz YHKIQHGSXANDBF-ZTFGCOKTSA-N 1 0 318.848 4.090 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000552090103 341368956 /nfs/dbraw/zinc/36/89/56/341368956.db2.gz AGAYGFNRZBUEOW-LJQANCHMSA-N 1 0 314.404 4.272 20 30 DIEDRO COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248700492 341384771 /nfs/dbraw/zinc/38/47/71/341384771.db2.gz AEIUBURNSOOYFG-PLMTUMEDSA-N 1 0 320.436 4.457 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000248715463 341385013 /nfs/dbraw/zinc/38/50/13/341385013.db2.gz BVFWFYKRWOZCDW-RNQOJCNYSA-N 1 0 312.457 4.135 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1 ZINC000552312185 341385692 /nfs/dbraw/zinc/38/56/92/341385692.db2.gz VWPDBQFLVAPKNI-KRWDZBQOSA-N 1 0 304.397 4.088 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2N(C)C)cc1 ZINC000552324742 341386556 /nfs/dbraw/zinc/38/65/56/341386556.db2.gz HWNPHEJSUJDOML-MRXNPFEDSA-N 1 0 310.441 4.168 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccccn2)cc1 ZINC000248944673 341390413 /nfs/dbraw/zinc/39/04/13/341390413.db2.gz ZCAHMWYDNJNORT-DYXWJJEUSA-N 1 0 319.452 4.346 20 30 DIEDRO C=C[C@](C)(CC)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000249143779 341394682 /nfs/dbraw/zinc/39/46/82/341394682.db2.gz YNNBKZPADOTYFB-YLJYHZDGSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249204691 341395278 /nfs/dbraw/zinc/39/52/78/341395278.db2.gz VNNCXQPLFRIVQM-ILXRZTDVSA-N 1 0 307.400 4.195 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000249580106 341399486 /nfs/dbraw/zinc/39/94/86/341399486.db2.gz NATCBFHYKFBTPV-UUWFMWQGSA-N 1 0 313.832 4.037 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccnc2ccccc12 ZINC000552956856 341410531 /nfs/dbraw/zinc/41/05/31/341410531.db2.gz UZMLYCJDBHPPJJ-NRFANRHFSA-N 1 0 313.404 4.274 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)C1CC1 ZINC000090911409 341420222 /nfs/dbraw/zinc/42/02/22/341420222.db2.gz XOAIPQSSBGFHIM-PBHICJAKSA-N 1 0 311.429 4.175 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739184 341428077 /nfs/dbraw/zinc/42/80/77/341428077.db2.gz VWYUOTBONOSZRK-ZIAGYGMSSA-N 1 0 302.393 4.214 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739376 341428097 /nfs/dbraw/zinc/42/80/97/341428097.db2.gz QPZNUBURGJRRGB-MRXNPFEDSA-N 1 0 302.393 4.358 20 30 DIEDRO CC1(C[NH2+]Cc2cccc(OCCCC#N)c2)CCCCC1 ZINC000553580612 341431940 /nfs/dbraw/zinc/43/19/40/341431940.db2.gz JNNDCAGQJQDPQC-UHFFFAOYSA-N 1 0 300.446 4.429 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(OC)c(OC)c1Cl ZINC000556216790 341497650 /nfs/dbraw/zinc/49/76/50/341497650.db2.gz JORBGURVCCYPPB-QWHCGFSZSA-N 1 0 311.853 4.090 20 30 DIEDRO CN(CCCC[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000564431537 341501694 /nfs/dbraw/zinc/50/16/94/341501694.db2.gz GRURXAFKVDEUJP-NRFANRHFSA-N 1 0 319.452 4.052 20 30 DIEDRO COc1cc(C[NH+]2CCC(CCC#N)CC2)cc2ccccc21 ZINC000564991096 341514549 /nfs/dbraw/zinc/51/45/49/341514549.db2.gz YUWQYMIPWAGESH-UHFFFAOYSA-N 1 0 308.425 4.364 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000565745949 341536813 /nfs/dbraw/zinc/53/68/13/341536813.db2.gz PXGCSGSUBNNGDS-FZKQIMNGSA-N 1 0 321.380 4.113 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000567169742 341584008 /nfs/dbraw/zinc/58/40/08/341584008.db2.gz IVRTXZGRXUWVED-FPOVZHCZSA-N 1 0 317.436 4.046 20 30 DIEDRO CC[C@@H](C)c1ccc([C@@H]([NH2+]CCOCCC#N)C(C)C)cc1 ZINC000567357954 341598280 /nfs/dbraw/zinc/59/82/80/341598280.db2.gz OSEHDMZRLUEPOO-APWZRJJASA-N 1 0 302.462 4.417 20 30 DIEDRO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000155173489 341603045 /nfs/dbraw/zinc/60/30/45/341603045.db2.gz BXKIPAGPGKTUOG-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000567458979 341607924 /nfs/dbraw/zinc/60/79/24/341607924.db2.gz DLXSLGXDZYNYAD-MOPGFXCFSA-N 1 0 305.425 4.236 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000567661434 341625258 /nfs/dbraw/zinc/62/52/58/341625258.db2.gz QGGRJVFLIUQTPK-SWLSCSKDSA-N 1 0 300.789 4.382 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(C#N)cc1F ZINC000157410356 341637603 /nfs/dbraw/zinc/63/76/03/341637603.db2.gz UJSPBEDQPUWRKP-MEDUHNTESA-N 1 0 300.402 4.487 20 30 DIEDRO C=CCCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000568177644 341656710 /nfs/dbraw/zinc/65/67/10/341656710.db2.gz DFAJAIOGOZLNNT-UHFFFAOYSA-N 1 0 322.861 4.431 20 30 DIEDRO CSc1cc(C)ccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000568804404 341682068 /nfs/dbraw/zinc/68/20/68/341682068.db2.gz WDXMGSVRYYKMPA-GOSISDBHSA-N 1 0 308.450 4.366 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000299248889 341724637 /nfs/dbraw/zinc/72/46/37/341724637.db2.gz AJNVHHJBBFXHGQ-HXUWFJFHSA-N 1 0 308.425 4.466 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000575974503 341817756 /nfs/dbraw/zinc/81/77/56/341817756.db2.gz LJWGNSHJLZQYAK-HNNXBMFYSA-N 1 0 312.432 4.280 20 30 DIEDRO N#CCc1ccc(C[NH2+]C2CC(c3ccccc3Cl)C2)cc1 ZINC000575989392 341818723 /nfs/dbraw/zinc/81/87/23/341818723.db2.gz AIDYGBICJPDGSZ-UHFFFAOYSA-N 1 0 310.828 4.442 20 30 DIEDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000173929438 341821615 /nfs/dbraw/zinc/82/16/15/341821615.db2.gz LSZKQCLBDWHLFX-OAHLLOKOSA-N 1 0 321.424 4.148 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2(Sc3ccccc3)CC2)c1 ZINC000177698717 341924319 /nfs/dbraw/zinc/92/43/19/341924319.db2.gz RUKAFXGAXJMVCB-UHFFFAOYSA-N 1 0 300.452 4.034 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)c1 ZINC000177704732 341924638 /nfs/dbraw/zinc/92/46/38/341924638.db2.gz ZCEZGPJKDOMHSV-UHFFFAOYSA-N 1 0 302.830 4.095 20 30 DIEDRO N#CCCC[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000451819395 518196310 /nfs/dbraw/zinc/19/63/10/518196310.db2.gz VHBOGHFYAFUKDY-KRWDZBQOSA-N 1 0 321.449 4.473 20 30 DIEDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000180138253 523293020 /nfs/dbraw/zinc/29/30/20/523293020.db2.gz BLJOEEYQRMOWAM-LSDHHAIUSA-N 1 0 318.424 4.340 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cccc(C#N)c1 ZINC000182050009 525384443 /nfs/dbraw/zinc/38/44/43/525384443.db2.gz PUXFRDUHWPMZDN-JXFKEZNVSA-N 1 0 322.452 4.011 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cc(Cl)ccc1Cl ZINC000191618144 525430981 /nfs/dbraw/zinc/43/09/81/525430981.db2.gz GTPPRLCWBNBECW-JTQLQIEISA-N 1 0 308.212 4.054 20 30 DIEDRO C[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1cccc(C#N)c1 ZINC000266549563 525508666 /nfs/dbraw/zinc/50/86/66/525508666.db2.gz IDOKFWPDLIVNDV-OAHLLOKOSA-N 1 0 323.415 4.148 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccc(Cl)c1Cl ZINC000191117082 525510786 /nfs/dbraw/zinc/51/07/86/525510786.db2.gz RLIZITAEZQCHIU-SNVBAGLBSA-N 1 0 308.212 4.054 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000181321009 525610831 /nfs/dbraw/zinc/61/08/31/525610831.db2.gz ZMPVZUCSJFAMSU-UGSOOPFHSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000181321020 525676229 /nfs/dbraw/zinc/67/62/29/525676229.db2.gz ZMPVZUCSJFAMSU-ACJLOTCBSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000265475204 526037209 /nfs/dbraw/zinc/03/72/09/526037209.db2.gz JZAWKDPGLDJZNS-KKSFZXQISA-N 1 0 320.436 4.065 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cnc3ccccc3c2)C2CC2)cc1 ZINC000337137375 526608862 /nfs/dbraw/zinc/60/88/62/526608862.db2.gz OEHIKMUTPRFZID-UHFFFAOYSA-N 1 0 313.404 4.271 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccc(C#N)cc1 ZINC000278369158 535809128 /nfs/dbraw/zinc/80/91/28/535809128.db2.gz BYDXWUCHTYDJQC-MOPGFXCFSA-N 1 0 322.408 4.131 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000273471123 535911626 /nfs/dbraw/zinc/91/16/26/535911626.db2.gz FUSQQDBBXAFGRV-KBPBESRZSA-N 1 0 320.845 4.047 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000278383209 535939377 /nfs/dbraw/zinc/93/93/77/535939377.db2.gz DFZXVPUVJNVZBJ-SQNIBIBYSA-N 1 0 300.446 4.193 20 30 DIEDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000272597409 536807031 /nfs/dbraw/zinc/80/70/31/536807031.db2.gz INKSJNNYBTXUBP-SUMWQHHRSA-N 1 0 316.376 4.027 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000216167919 1045301280 /nfs/dbraw/zinc/30/12/80/1045301280.db2.gz UYDKNGFSFGKIOY-NSHDSACASA-N 1 0 315.244 4.218 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000649425671 1047127745 /nfs/dbraw/zinc/12/77/45/1047127745.db2.gz LTJKPPIOQCIKCR-LLVKDONJSA-N 1 0 303.372 4.069 20 30 DIEDRO C=C(Br)C[N@H+]1CCC[C@]1(C)Cc1cccc(C)c1 ZINC001473686503 1061344095 /nfs/dbraw/zinc/34/40/95/1061344095.db2.gz DZVSOJMNIOAWSJ-MRXNPFEDSA-N 1 0 308.263 4.301 20 30 DIEDRO CC[N@H+](CCC#N)[C@@H](C)CCc1ccc(Br)cc1 ZINC001256227220 1062752262 /nfs/dbraw/zinc/75/22/62/1062752262.db2.gz SETOAKIREPJLIK-ZDUSSCGKSA-N 1 0 309.251 4.006 20 30 DIEDRO COc1ccc(F)c(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000339406918 1035552424 /nfs/dbraw/zinc/55/24/24/1035552424.db2.gz HWMRLBUCGRIFTI-LJQANCHMSA-N 1 0 312.388 4.359 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cc(C#N)cs1 ZINC000579818405 1035706921 /nfs/dbraw/zinc/70/69/21/1035706921.db2.gz JIOAQDVPGBRAEC-MRXNPFEDSA-N 1 0 300.427 4.211 20 30 DIEDRO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000610216128 1035751280 /nfs/dbraw/zinc/75/12/80/1035751280.db2.gz OBYRMRIBEWSKFU-DYESRHJHSA-N 1 0 320.436 4.063 20 30 DIEDRO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000610216130 1035752177 /nfs/dbraw/zinc/75/21/77/1035752177.db2.gz OBYRMRIBEWSKFU-UTKZUKDTSA-N 1 0 320.436 4.063 20 30 DIEDRO Cc1cccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1F ZINC001137677205 1035769988 /nfs/dbraw/zinc/76/99/88/1035769988.db2.gz FTFZHJDVUFLXKL-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000119354506 1035770522 /nfs/dbraw/zinc/77/05/22/1035770522.db2.gz YJCXXLLLTIOUIX-BDAKNGLRSA-N 1 0 307.287 4.115 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)c1ccc(C#N)cc1 ZINC000154340945 1035876344 /nfs/dbraw/zinc/87/63/44/1035876344.db2.gz FFRGMVKUURTPMI-KGLIPLIRSA-N 1 0 311.404 4.175 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2c2ccccc2F)cc1 ZINC001208926033 1035945703 /nfs/dbraw/zinc/94/57/03/1035945703.db2.gz FVGZZYBDBKTDAC-HXUWFJFHSA-N 1 0 308.400 4.467 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC001208926192 1035948241 /nfs/dbraw/zinc/94/82/41/1035948241.db2.gz IRKBNUSVZVEBHQ-UHFFFAOYSA-N 1 0 318.342 4.252 20 30 DIEDRO C=CC1CC[NH+](CCCC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000137329789 1035978556 /nfs/dbraw/zinc/97/85/56/1035978556.db2.gz KWDYAIMJUZUMTG-UHFFFAOYSA-N 1 0 314.473 4.229 20 30 DIEDRO C=CCCCC[NH+]1CCC(COc2cccc(OC)c2)CC1 ZINC001209206961 1036059877 /nfs/dbraw/zinc/05/98/77/1036059877.db2.gz DKWFZNGHIFNRGT-UHFFFAOYSA-N 1 0 303.446 4.142 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(C#N)cc1 ZINC000336875343 1036073921 /nfs/dbraw/zinc/07/39/21/1036073921.db2.gz FNYKVJAFMIMMQB-CVEARBPZSA-N 1 0 316.408 4.156 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001625833539 1036106246 /nfs/dbraw/zinc/10/62/46/1036106246.db2.gz NZOPMWRGEOLDJQ-AZRNIUEDSA-N 1 0 320.521 4.426 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001209422807 1036157600 /nfs/dbraw/zinc/15/76/00/1036157600.db2.gz IOQLKYKFUCYWNQ-UHFFFAOYSA-N 1 0 315.432 4.492 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001209431859 1036172887 /nfs/dbraw/zinc/17/28/87/1036172887.db2.gz VCQZDGPOITWAOH-UHFFFAOYSA-N 1 0 301.474 4.193 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001209438788 1036178574 /nfs/dbraw/zinc/17/85/74/1036178574.db2.gz VPGGCMVBTHCCIK-HNNXBMFYSA-N 1 0 307.400 4.292 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCC[C@@]2(C[C@@H](OCC=C)CO2)C1 ZINC001209439462 1036184286 /nfs/dbraw/zinc/18/42/86/1036184286.db2.gz QOGUSPMRRDBJAO-WOJBJXKFSA-N 1 0 321.505 4.339 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(Oc2ncncc2C)CC1 ZINC001209442903 1036187377 /nfs/dbraw/zinc/18/73/77/1036187377.db2.gz ZLQJBQZJXOOBKP-UHFFFAOYSA-N 1 0 317.477 4.155 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001209446332 1036195480 /nfs/dbraw/zinc/19/54/80/1036195480.db2.gz WVFUKMPPBJYBHF-UHFFFAOYSA-N 1 0 322.493 4.210 20 30 DIEDRO CCCCCCCCC[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC001167145892 1036198649 /nfs/dbraw/zinc/19/86/49/1036198649.db2.gz IWAYKEYWOCLMSR-UHFFFAOYSA-N 1 0 314.477 4.394 20 30 DIEDRO CCCCCCCCC[N@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC001167147695 1036209242 /nfs/dbraw/zinc/20/92/42/1036209242.db2.gz ZMULUCANJQKKDZ-UHFFFAOYSA-N 1 0 318.461 4.314 20 30 DIEDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(C)c(C#N)c1 ZINC001167179293 1036247154 /nfs/dbraw/zinc/24/71/54/1036247154.db2.gz YSPMEUHWVYJDQX-UHFFFAOYSA-N 1 0 322.452 4.296 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000237332512 1036363122 /nfs/dbraw/zinc/36/31/22/1036363122.db2.gz ABLHQMHSZZJDRK-MRXNPFEDSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1OC ZINC000237441649 1036378195 /nfs/dbraw/zinc/37/81/95/1036378195.db2.gz FQOGYBWYOPIYSO-OALUTQOASA-N 1 0 323.436 4.153 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)c1 ZINC000610271483 1036406606 /nfs/dbraw/zinc/40/66/06/1036406606.db2.gz NMOBSEHQWMBSDE-PMACEKPBSA-N 1 0 312.457 4.428 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)Cc2ccccn2)cc1Cl ZINC000655843407 1036594001 /nfs/dbraw/zinc/59/40/01/1036594001.db2.gz JWSAMUHLHIBYJR-CQSZACIVSA-N 1 0 316.832 4.021 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)Cc2ccsc2)cc1OC ZINC001648895275 1036677436 /nfs/dbraw/zinc/67/74/36/1036677436.db2.gz HXYJUDNZINCUMH-AWEZNQCLSA-N 1 0 317.454 4.042 20 30 DIEDRO C[NH+](C)[C@H](CNc1cccc(Cl)c1C#N)c1cccc(F)c1 ZINC000610322520 1036776197 /nfs/dbraw/zinc/77/61/97/1036776197.db2.gz BBWWPSDXZAEORN-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397736392 1036798630 /nfs/dbraw/zinc/79/86/30/1036798630.db2.gz IAZJLDZPSCPQBQ-HNNXBMFYSA-N 1 0 312.498 4.192 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cccc(C#N)c1 ZINC000610344766 1036838431 /nfs/dbraw/zinc/83/84/31/1036838431.db2.gz HMUUDTAKCRVSIN-MRXNPFEDSA-N 1 0 319.408 4.092 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(N(C)C)c1 ZINC000610367618 1036911085 /nfs/dbraw/zinc/91/10/85/1036911085.db2.gz BNBPYJYWLBYZDS-UHFFFAOYSA-N 1 0 307.441 4.036 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000177703733 1036941487 /nfs/dbraw/zinc/94/14/87/1036941487.db2.gz ODLNWTAUIGFQIR-MEDUHNTESA-N 1 0 320.845 4.139 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000177745013 1037073593 /nfs/dbraw/zinc/07/35/93/1037073593.db2.gz JSAXHVNVQNXHDD-SFTDATJTSA-N 1 0 320.436 4.113 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(F)cc1 ZINC000536860084 1037136760 /nfs/dbraw/zinc/13/67/60/1037136760.db2.gz VXFUEBMMBHGOLD-CQSZACIVSA-N 1 0 314.429 4.281 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(OC)cc1Br ZINC000398157464 1037242324 /nfs/dbraw/zinc/24/23/24/1037242324.db2.gz GTMSJWWFZYZFFG-LBPRGKRZSA-N 1 0 312.251 4.292 20 30 DIEDRO C=CC[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(OC)cc1 ZINC000684020937 1037244658 /nfs/dbraw/zinc/24/46/58/1037244658.db2.gz PBENOWOORJBBKD-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000580790772 1037299560 /nfs/dbraw/zinc/29/95/60/1037299560.db2.gz OZHWKNSRXNZJLG-MRXNPFEDSA-N 1 0 324.424 4.075 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(OC(F)F)c1 ZINC000177858149 1037351004 /nfs/dbraw/zinc/35/10/04/1037351004.db2.gz OVNWFLYFYBQKAW-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO C=CCCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000684113894 1037365626 /nfs/dbraw/zinc/36/56/26/1037365626.db2.gz JUFBEURDOYHMHT-JKSUJKDBSA-N 1 0 324.262 4.225 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000177861181 1037374471 /nfs/dbraw/zinc/37/44/71/1037374471.db2.gz XYHVHZSTNILDJW-LBPRGKRZSA-N 1 0 305.830 4.264 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000177861195 1037375211 /nfs/dbraw/zinc/37/52/11/1037375211.db2.gz XYHVHZSTNILDJW-GFCCVEGCSA-N 1 0 305.830 4.264 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000580981044 1037396508 /nfs/dbraw/zinc/39/65/08/1037396508.db2.gz NZYGVEHCWJUVQY-IERDGZPVSA-N 1 0 318.420 4.089 20 30 DIEDRO CCC[N@H+](Cc1cccc(C#N)c1F)[C@H]1C[C@@H](OCC)C1(C)C ZINC001167443260 1037413554 /nfs/dbraw/zinc/41/35/54/1037413554.db2.gz QYNHGZAOJJXBMP-DLBZAZTESA-N 1 0 318.436 4.113 20 30 DIEDRO C[C@H](C#N)Oc1ccc(CN(C)Cc2ccccc2Cl)cc1 ZINC000160818076 1037482302 /nfs/dbraw/zinc/48/23/02/1037482302.db2.gz CCQYRHBJESEEHM-CQSZACIVSA-N 1 0 314.816 4.263 20 30 DIEDRO N#Cc1csc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c1 ZINC000610488675 1037493970 /nfs/dbraw/zinc/49/39/70/1037493970.db2.gz GCKFAKCADKRDLV-UHFFFAOYSA-N 1 0 315.829 4.087 20 30 DIEDRO CCCCCCC[NH+]1CCN(Cc2ccc(CC)s2)CC1 ZINC001167453536 1037522356 /nfs/dbraw/zinc/52/23/56/1037522356.db2.gz KPJAKPVPXHKCSJ-UHFFFAOYSA-N 1 0 308.535 4.399 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001167464482 1037655814 /nfs/dbraw/zinc/65/58/14/1037655814.db2.gz MQCGVBXOPQPTSD-FXAWDEMLSA-N 1 0 304.437 4.287 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cnn1C(C)(C)C ZINC000276328192 1037707047 /nfs/dbraw/zinc/70/70/47/1037707047.db2.gz IECYJSWXIVXVKA-KBPBESRZSA-N 1 0 310.445 4.230 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000348671791 1037739230 /nfs/dbraw/zinc/73/92/30/1037739230.db2.gz LNMCXRHPHJZGQC-UHFFFAOYSA-N 1 0 322.408 4.251 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000610511683 1037769026 /nfs/dbraw/zinc/76/90/26/1037769026.db2.gz YMRFLDLEXCFYEL-WCQYABFASA-N 1 0 302.365 4.078 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccco1 ZINC000276404157 1037810579 /nfs/dbraw/zinc/81/05/79/1037810579.db2.gz DSOKBUWWNXICDY-KRWDZBQOSA-N 1 0 311.429 4.072 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000477161713 1037816393 /nfs/dbraw/zinc/81/63/93/1037816393.db2.gz IHFJNPHKYYWSJN-GOSISDBHSA-N 1 0 312.438 4.226 20 30 DIEDRO Cc1cc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c(C)s1 ZINC000602906994 1037849304 /nfs/dbraw/zinc/84/93/04/1037849304.db2.gz KLBZVPMGTUXFSE-UHFFFAOYSA-N 1 0 311.454 4.011 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000625700027 1037861769 /nfs/dbraw/zinc/86/17/69/1037861769.db2.gz HAAPYWRDDLQFPI-LLVKDONJSA-N 1 0 310.319 4.245 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000625701911 1037870832 /nfs/dbraw/zinc/87/08/32/1037870832.db2.gz CJBODFGDFYFLDP-SFHVURJKSA-N 1 0 314.473 4.229 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000602440680 1038007919 /nfs/dbraw/zinc/00/79/19/1038007919.db2.gz ALGDPKWENOPNDC-AWEZNQCLSA-N 1 0 306.837 4.123 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000602448369 1038010434 /nfs/dbraw/zinc/01/04/34/1038010434.db2.gz GAZXEWCNLKHRBY-QAPCUYQASA-N 1 0 310.445 4.040 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000602498803 1038022370 /nfs/dbraw/zinc/02/23/70/1038022370.db2.gz LCQJNOJBHGMBBR-IRXDYDNUSA-N 1 0 319.518 4.051 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000602498805 1038022789 /nfs/dbraw/zinc/02/27/89/1038022789.db2.gz LCQJNOJBHGMBBR-SJORKVTESA-N 1 0 319.518 4.051 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]C2CCC(C#N)CC2)cc1OC ZINC000602515521 1038023978 /nfs/dbraw/zinc/02/39/78/1038023978.db2.gz XKVDIURSOJARNN-UQPPLGOBSA-N 1 0 316.445 4.217 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000602516199 1038026609 /nfs/dbraw/zinc/02/66/09/1038026609.db2.gz JNAAWYLHMIJGNR-SFHVURJKSA-N 1 0 311.404 4.359 20 30 DIEDRO N#CC1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000602505767 1038029391 /nfs/dbraw/zinc/02/93/91/1038029391.db2.gz YXJNSBKLUORLRM-UHFFFAOYSA-N 1 0 304.437 4.490 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(C#N)CC2)cc1OCC ZINC000602512185 1038030509 /nfs/dbraw/zinc/03/05/09/1038030509.db2.gz XPTXHWGVGSLSDS-HPUBIQBYSA-N 1 0 316.445 4.217 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1OC(F)F ZINC000602509836 1038031029 /nfs/dbraw/zinc/03/10/29/1038031029.db2.gz URFYSYVATGBLIE-PIMMBPRGSA-N 1 0 308.372 4.411 20 30 DIEDRO COc1cc([C@H](C)[NH2+]C[C@H](C)CCC#N)ccc1OCC(C)C ZINC000602510835 1038032139 /nfs/dbraw/zinc/03/21/39/1038032139.db2.gz PIFOMBXOPFSKFJ-CVEARBPZSA-N 1 0 318.461 4.320 20 30 DIEDRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000581853850 1038033069 /nfs/dbraw/zinc/03/30/69/1038033069.db2.gz YWCJEUXSFURRBN-MAUKXSAKSA-N 1 0 311.454 4.064 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000602527134 1038033917 /nfs/dbraw/zinc/03/39/17/1038033917.db2.gz ZQRCWOSXHSPOQL-KRWDZBQOSA-N 1 0 308.425 4.262 20 30 DIEDRO N#CC1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000602528269 1038035038 /nfs/dbraw/zinc/03/50/38/1038035038.db2.gz CYJZJAJHZCQZOY-UHFFFAOYSA-N 1 0 322.374 4.409 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000602560990 1038036062 /nfs/dbraw/zinc/03/60/62/1038036062.db2.gz PFOOSHJNDJWCRV-NXEZZACHSA-N 1 0 305.369 4.142 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC000602531234 1038036814 /nfs/dbraw/zinc/03/68/14/1038036814.db2.gz UMIWEBBKPBXACJ-ZIAGYGMSSA-N 1 0 323.278 4.300 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000602561481 1038037631 /nfs/dbraw/zinc/03/76/31/1038037631.db2.gz QZBPSUGWSVTPSR-VQXHTEKXSA-N 1 0 317.380 4.285 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000602534421 1038038029 /nfs/dbraw/zinc/03/80/29/1038038029.db2.gz SRHCDYZKKYHITC-MRXNPFEDSA-N 1 0 318.424 4.055 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602554604 1038038532 /nfs/dbraw/zinc/03/85/32/1038038532.db2.gz BTRLIBLFDIDYLO-ZJOIDMRUSA-N 1 0 306.837 4.088 20 30 DIEDRO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCCC(C)(C)C#N ZINC000581862663 1038039000 /nfs/dbraw/zinc/03/90/00/1038039000.db2.gz RMRHFBLFCZVFSK-OAHLLOKOSA-N 1 0 319.880 4.180 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000178177265 1038039884 /nfs/dbraw/zinc/03/98/84/1038039884.db2.gz MRASMZHKPSNVKF-UONOGXRCSA-N 1 0 309.369 4.187 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000178177990 1038039993 /nfs/dbraw/zinc/03/99/93/1038039993.db2.gz RBBHCXODKZXNQY-HOTGVXAUSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000602569732 1038041528 /nfs/dbraw/zinc/04/15/28/1038041528.db2.gz RLRJQLFJBOUWFQ-UONOGXRCSA-N 1 0 304.409 4.205 20 30 DIEDRO CC1(C)C[C@H]([NH2+]C2CCC(C#N)CC2)c2ccc(F)cc2O1 ZINC000602572570 1038041733 /nfs/dbraw/zinc/04/17/33/1038041733.db2.gz QVULYPMGONBFPA-PXCJXSSVSA-N 1 0 302.393 4.100 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCC(C#N)CC1)CC3 ZINC000602586977 1038047810 /nfs/dbraw/zinc/04/78/10/1038047810.db2.gz CFYINFGJXMDKEJ-UYSNPLJNSA-N 1 0 307.441 4.006 20 30 DIEDRO CC1(C)CC[C@@H]2C[C@@H]([NH2+]Cc3cccc(C#N)n3)c3cccc1c32 ZINC000602581397 1038048350 /nfs/dbraw/zinc/04/83/50/1038048350.db2.gz JOEPTWBWUBUHSY-AUUYWEPGSA-N 1 0 317.436 4.343 20 30 DIEDRO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602618406 1038049230 /nfs/dbraw/zinc/04/92/30/1038049230.db2.gz RVQSRYVZICHBCS-ICSRJNTNSA-N 1 0 305.425 4.003 20 30 DIEDRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602618405 1038051695 /nfs/dbraw/zinc/05/16/95/1038051695.db2.gz RVQSRYVZICHBCS-AZUAARDMSA-N 1 0 305.425 4.003 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000602652369 1038054704 /nfs/dbraw/zinc/05/47/04/1038054704.db2.gz XPDZNJSSPMRRES-KDOFPFPSSA-N 1 0 306.400 4.488 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000602634271 1038058189 /nfs/dbraw/zinc/05/81/89/1038058189.db2.gz MBBLBPCXENOCPM-MRXNPFEDSA-N 1 0 312.457 4.143 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000602665152 1038063170 /nfs/dbraw/zinc/06/31/70/1038063170.db2.gz RGFTVZRGAOWNOR-JKSUJKDBSA-N 1 0 309.413 4.464 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000602665151 1038064309 /nfs/dbraw/zinc/06/43/09/1038064309.db2.gz RGFTVZRGAOWNOR-HZPDHXFCSA-N 1 0 309.413 4.464 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c2ccccc12 ZINC000602692561 1038066621 /nfs/dbraw/zinc/06/66/21/1038066621.db2.gz AXIJEHKBUYDVEF-QGZVFWFLSA-N 1 0 322.452 4.337 20 30 DIEDRO COc1cccc(C)c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000602693052 1038066824 /nfs/dbraw/zinc/06/68/24/1038066824.db2.gz AGEQILBRJCYBDN-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO Cc1nn(C(C)C)c(C)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000891595622 1038067447 /nfs/dbraw/zinc/06/74/47/1038067447.db2.gz BJKQMPGBDFXHGW-UHFFFAOYSA-N 1 0 322.456 4.117 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(Br)c1Cl ZINC000602698491 1038069312 /nfs/dbraw/zinc/06/93/12/1038069312.db2.gz VSBQKVGFNUZAPQ-JTQLQIEISA-N 1 0 315.642 4.132 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1cncc(C#N)c1 ZINC001167487210 1038070252 /nfs/dbraw/zinc/07/02/52/1038070252.db2.gz HUTDZJZCFAUTAQ-HXUWFJFHSA-N 1 0 307.441 4.105 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000602678807 1038071391 /nfs/dbraw/zinc/07/13/91/1038071391.db2.gz ZIOVBMOCUKPQSX-NOLJZWGESA-N 1 0 321.262 4.225 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000602703329 1038072951 /nfs/dbraw/zinc/07/29/51/1038072951.db2.gz YUNPAZZPOPPEIV-JTQLQIEISA-N 1 0 315.642 4.132 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CC/C=C/c3ccccc3)CC2)nc1 ZINC000602906204 1038105613 /nfs/dbraw/zinc/10/56/13/1038105613.db2.gz JIOQYDCHMRBNHB-XBXARRHUSA-N 1 0 317.436 4.236 20 30 DIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1ccccc1C#N)CC2 ZINC000602866287 1038107569 /nfs/dbraw/zinc/10/75/69/1038107569.db2.gz VQYIZLAYGXOGMS-UHFFFAOYSA-N 1 0 315.420 4.198 20 30 DIEDRO N#CC1(CC[NH+]2CCC(c3ccc(F)cn3)CC2)CCCCC1 ZINC000602904144 1038109794 /nfs/dbraw/zinc/10/97/94/1038109794.db2.gz MCCBWUMENDTQOK-UHFFFAOYSA-N 1 0 315.436 4.264 20 30 DIEDRO CSc1ccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602912150 1038112431 /nfs/dbraw/zinc/11/24/31/1038112431.db2.gz LDPLUUNSEDWCLG-UHFFFAOYSA-N 1 0 323.465 4.055 20 30 DIEDRO CC(C)C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000598603746 1038125226 /nfs/dbraw/zinc/12/52/26/1038125226.db2.gz ZYYFYGCREQKRJT-IAGOWNOFSA-N 1 0 322.880 4.318 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598594470 1038128628 /nfs/dbraw/zinc/12/86/28/1038128628.db2.gz KKSIBAHMVDHBNC-SUMWQHHRSA-N 1 0 320.864 4.166 20 30 DIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598590620 1038129260 /nfs/dbraw/zinc/12/92/60/1038129260.db2.gz RTABSRRSMIPEDR-ZFWWWQNUSA-N 1 0 320.864 4.166 20 30 DIEDRO Fc1ccc([C@H](CC(F)(F)F)[NH2+]CCC(F)(F)F)cc1 ZINC000341572588 1038143055 /nfs/dbraw/zinc/14/30/55/1038143055.db2.gz JXGDWUKSIULIDP-JTQLQIEISA-N 1 0 303.221 4.361 20 30 DIEDRO CCOc1cncc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000598644351 1038146470 /nfs/dbraw/zinc/14/64/70/1038146470.db2.gz JIBFAAPJNOOEHD-LJQANCHMSA-N 1 0 309.413 4.005 20 30 DIEDRO Cc1cccc(-c2cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2)c1 ZINC000598720489 1038160233 /nfs/dbraw/zinc/16/02/33/1038160233.db2.gz NUTSERDQLDNNKZ-FQEVSTJZSA-N 1 0 322.452 4.052 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000598985674 1038202441 /nfs/dbraw/zinc/20/24/41/1038202441.db2.gz YHZSXUYLULWTFA-UHFFFAOYSA-N 1 0 322.456 4.156 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H](c3ccccn3)C3CCC3)cc2)CC1 ZINC000598993821 1038213066 /nfs/dbraw/zinc/21/30/66/1038213066.db2.gz QHUAQECGYORTJS-FQEVSTJZSA-N 1 0 317.436 4.268 20 30 DIEDRO N#Cc1ccc(C[NH+]2C3CCCC2CCC3)c(OC(F)F)c1 ZINC000610615021 1038223090 /nfs/dbraw/zinc/22/30/90/1038223090.db2.gz RCAJDQDAJGYHKB-UHFFFAOYSA-N 1 0 306.356 4.067 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000599056698 1038226707 /nfs/dbraw/zinc/22/67/07/1038226707.db2.gz ZGCMBIILNOCKTO-OAHLLOKOSA-N 1 0 315.486 4.047 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)nc1 ZINC000599069318 1038230776 /nfs/dbraw/zinc/23/07/76/1038230776.db2.gz GFFPGOPCJYFLNS-CQSZACIVSA-N 1 0 311.404 4.029 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)cs2)c2cc(F)ccc2O1 ZINC000593673237 1038234007 /nfs/dbraw/zinc/23/40/07/1038234007.db2.gz DKWYGPQMKMOKBW-OAHLLOKOSA-N 1 0 316.401 4.151 20 30 DIEDRO C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccc(C#N)c(F)c1 ZINC000599085803 1038238086 /nfs/dbraw/zinc/23/80/86/1038238086.db2.gz DRBOLMGHSNAGIO-NSHDSACASA-N 1 0 314.326 4.471 20 30 DIEDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000341706809 1038238408 /nfs/dbraw/zinc/23/84/08/1038238408.db2.gz IEWLIKWLVDTSEG-AUUYWEPGSA-N 1 0 308.429 4.064 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341757050 1038261340 /nfs/dbraw/zinc/26/13/40/1038261340.db2.gz HICKSPHFECZVJN-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1F ZINC000603681220 1038267059 /nfs/dbraw/zinc/26/70/59/1038267059.db2.gz WJPOFEVWXOQJJE-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO CC(C)C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000599355641 1038272248 /nfs/dbraw/zinc/27/22/48/1038272248.db2.gz CVSYMNVZUIZNRA-DLBZAZTESA-N 1 0 320.864 4.072 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1ccc(F)cc1F ZINC000599355778 1038272417 /nfs/dbraw/zinc/27/24/17/1038272417.db2.gz GLZBCTLYSQDQDD-SFHVURJKSA-N 1 0 300.352 4.386 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1C#N ZINC000599354549 1038272857 /nfs/dbraw/zinc/27/28/57/1038272857.db2.gz QCMPDAWRPRPPIA-QGZVFWFLSA-N 1 0 319.452 4.318 20 30 DIEDRO N#CCCCC[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000341849976 1038294954 /nfs/dbraw/zinc/29/49/54/1038294954.db2.gz BRWOMXVFCJZFJA-HXUWFJFHSA-N 1 0 308.425 4.228 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc(Cl)c1 ZINC000603854403 1038301579 /nfs/dbraw/zinc/30/15/79/1038301579.db2.gz JEALYNYPVOSTGI-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c(F)c1 ZINC000603855790 1038302735 /nfs/dbraw/zinc/30/27/35/1038302735.db2.gz QPWKJAALVDGRGZ-LJQANCHMSA-N 1 0 308.400 4.295 20 30 DIEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000603856908 1038303191 /nfs/dbraw/zinc/30/31/91/1038303191.db2.gz CZJBZLMFNYXIFP-FQEVSTJZSA-N 1 0 306.409 4.083 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000341871394 1038303771 /nfs/dbraw/zinc/30/37/71/1038303771.db2.gz FOIGBBCOWSUUDE-AAEUAGOBSA-N 1 0 322.499 4.015 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000341877109 1038305676 /nfs/dbraw/zinc/30/56/76/1038305676.db2.gz LFOFWYICVJMAPY-KOLCDFICSA-N 1 0 320.285 4.207 20 30 DIEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000603869860 1038309017 /nfs/dbraw/zinc/30/90/17/1038309017.db2.gz RZSWZKUECXCHMT-UHFFFAOYSA-N 1 0 314.816 4.113 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599624245 1038321003 /nfs/dbraw/zinc/32/10/03/1038321003.db2.gz UUGKIYHCJIKGEC-UHFFFAOYSA-N 1 0 324.472 4.010 20 30 DIEDRO C[C@H](C[N@H+](C)CCCC1(C#N)CCOCC1)C1CCCCC1 ZINC000599633614 1038325981 /nfs/dbraw/zinc/32/59/81/1038325981.db2.gz XSWLCYGOVUGQMY-QGZVFWFLSA-N 1 0 306.494 4.235 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(-c3ccccc3)cc2)o1 ZINC000610803718 1038351610 /nfs/dbraw/zinc/35/16/10/1038351610.db2.gz VOKBIOMSTKIKLR-UHFFFAOYSA-N 1 0 302.377 4.151 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1c(C)nc2ccccn21)c1ccccc1 ZINC000341935458 1038355181 /nfs/dbraw/zinc/35/51/81/1038355181.db2.gz ZOXMWGXDCJDFQI-SFHVURJKSA-N 1 0 305.425 4.440 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc2c(s1)CCC2 ZINC000610812461 1038356840 /nfs/dbraw/zinc/35/68/40/1038356840.db2.gz CRPUNBBYUSNDSQ-LLVKDONJSA-N 1 0 300.402 4.098 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1N(C)C)c1cccc(C#N)c1 ZINC000610830545 1038372172 /nfs/dbraw/zinc/37/21/72/1038372172.db2.gz ZWCWUCDMLUXYPX-ZIAGYGMSSA-N 1 0 311.404 4.175 20 30 DIEDRO COc1ccccc1C1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC000604417968 1038413687 /nfs/dbraw/zinc/41/36/87/1038413687.db2.gz YXUWKKFPAHDTGI-UHFFFAOYSA-N 1 0 320.436 4.168 20 30 DIEDRO N#Cc1ccccc1NC1CC[NH+](CCCc2ccccc2)CC1 ZINC000604482886 1038418754 /nfs/dbraw/zinc/41/87/54/1038418754.db2.gz DXZLXHBJTVQRQP-UHFFFAOYSA-N 1 0 319.452 4.067 20 30 DIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610992128 1038421561 /nfs/dbraw/zinc/42/15/61/1038421561.db2.gz BTUQZOHHFRPAIR-WOJBJXKFSA-N 1 0 305.425 4.111 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1ccnc(C#N)c1 ZINC000610993759 1038422375 /nfs/dbraw/zinc/42/23/75/1038422375.db2.gz HPUQKCIUZBCATC-FQEVSTJZSA-N 1 0 307.441 4.105 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC(F)(F)C2)cc1 ZINC000277240454 1038462104 /nfs/dbraw/zinc/46/21/04/1038462104.db2.gz ZRXHADJOXSPRIE-NSHDSACASA-N 1 0 301.764 4.266 20 30 DIEDRO CC1CCC(OC2CC[NH+](Cc3csc(C#N)c3)CC2)CC1 ZINC000892009611 1038467738 /nfs/dbraw/zinc/46/77/38/1038467738.db2.gz LLKMXEUOQACCPS-UHFFFAOYSA-N 1 0 318.486 4.179 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000342217256 1038481710 /nfs/dbraw/zinc/48/17/10/1038481710.db2.gz 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C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccccc1C#N ZINC000071968588 1038549418 /nfs/dbraw/zinc/54/94/18/1038549418.db2.gz AQVCLAPNVQOCKN-UHFFFAOYSA-N 1 0 314.816 4.113 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000934287403 1038580600 /nfs/dbraw/zinc/58/06/00/1038580600.db2.gz AYPSRTXDIMKZDB-LJQANCHMSA-N 1 0 323.440 4.147 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000934287396 1038581220 /nfs/dbraw/zinc/58/12/20/1038581220.db2.gz AYPSRTXDIMKZDB-IBGZPJMESA-N 1 0 323.440 4.147 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000593962504 1038590744 /nfs/dbraw/zinc/59/07/44/1038590744.db2.gz XQRIVFJQWFFISA-CYBMUJFWSA-N 1 0 311.816 4.332 20 30 DIEDRO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000593973924 1038599726 /nfs/dbraw/zinc/59/97/26/1038599726.db2.gz XEOIBPITLZKRJF-FZKQIMNGSA-N 1 0 313.832 4.484 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3ccccc3OC3CC3)CCC2)cc1 ZINC000594036185 1038632409 /nfs/dbraw/zinc/63/24/09/1038632409.db2.gz 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C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000657531412 1038765501 /nfs/dbraw/zinc/76/55/01/1038765501.db2.gz YPNPZJALLMCVRR-FVQBIDKESA-N 1 0 306.475 4.219 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Br)s1 ZINC000657529632 1038766500 /nfs/dbraw/zinc/76/65/00/1038766500.db2.gz FYMJCWNNYVKJMQ-MNOVXSKESA-N 1 0 315.280 4.130 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001207322073 1038772128 /nfs/dbraw/zinc/77/21/28/1038772128.db2.gz HYYZNQJSMNWIQL-OAHLLOKOSA-N 1 0 321.262 4.007 20 30 DIEDRO C#CCCC[NH2+][C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000174274328 1038921255 /nfs/dbraw/zinc/92/12/55/1038921255.db2.gz GBBBWXXAHVLMPX-FQEVSTJZSA-N 1 0 316.404 4.095 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CCOCC1 ZINC000657632246 1038927151 /nfs/dbraw/zinc/92/71/51/1038927151.db2.gz CLVXTPCSOZHQFU-UHFFFAOYSA-N 1 0 315.388 4.301 20 30 DIEDRO C=CCC1([NH2+]Cc2csc(Cl)c2Cl)CCOCC1 ZINC000657633590 1038931330 /nfs/dbraw/zinc/93/13/30/1038931330.db2.gz 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1039248444 /nfs/dbraw/zinc/24/84/44/1039248444.db2.gz ZSQUJTZCARHNEW-INIZCTEOSA-N 1 0 312.438 4.274 20 30 DIEDRO CCOCc1ccc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000278188334 1039265706 /nfs/dbraw/zinc/26/57/06/1039265706.db2.gz FCBAOFRIDKMPEA-FQEVSTJZSA-N 1 0 308.425 4.336 20 30 DIEDRO CC[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Oc1ccccc1F ZINC000539495133 1039268636 /nfs/dbraw/zinc/26/86/36/1039268636.db2.gz FMCUWJNBXOKGFO-RHSMWYFYSA-N 1 0 312.388 4.206 20 30 DIEDRO CC(C)C[N@H+](CCCc1ccncc1)Cc1ccc(C#N)cc1 ZINC000462316452 1039270346 /nfs/dbraw/zinc/27/03/46/1039270346.db2.gz OIGJWZZKZXQTSH-UHFFFAOYSA-N 1 0 307.441 4.044 20 30 DIEDRO CC(C)(C)c1ccccc1OCC[NH2+]Cc1ccc(C#N)s1 ZINC000539501415 1039272763 /nfs/dbraw/zinc/27/27/63/1039272763.db2.gz XTZIZQPLBRMWHB-UHFFFAOYSA-N 1 0 314.454 4.086 20 30 DIEDRO CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000926479165 1039275682 /nfs/dbraw/zinc/27/56/82/1039275682.db2.gz IGUDFYXBQPIILC-CEXWTWQISA-N 1 0 302.462 4.341 20 30 DIEDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000539607596 1039298429 /nfs/dbraw/zinc/29/84/29/1039298429.db2.gz SMWBVKFFGSKIAZ-XOBRGWDASA-N 1 0 308.400 4.369 20 30 DIEDRO CCO[C@@H](CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1)C1CCCC1 ZINC000539610321 1039298948 /nfs/dbraw/zinc/29/89/48/1039298948.db2.gz WBJNIYPCXBCQLK-KUHUBIRLSA-N 1 0 318.436 4.333 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539610267 1039299012 /nfs/dbraw/zinc/29/90/12/1039299012.db2.gz SJMPJQWAGSOOOX-OLZOCXBDSA-N 1 0 300.352 4.118 20 30 DIEDRO CCOCc1ccccc1C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278238277 1039310422 /nfs/dbraw/zinc/31/04/22/1039310422.db2.gz LCHXYLDLAANMPA-FQEVSTJZSA-N 1 0 308.425 4.336 20 30 DIEDRO CCOCc1ccccc1C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000278238279 1039310569 /nfs/dbraw/zinc/31/05/69/1039310569.db2.gz LCHXYLDLAANMPA-HXUWFJFHSA-N 1 0 308.425 4.336 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000539818275 1039345969 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CCCNc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000278367345 1039419250 /nfs/dbraw/zinc/41/92/50/1039419250.db2.gz BWDUHVMVJVMLKF-AWEZNQCLSA-N 1 0 311.404 4.370 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000278383206 1039431110 /nfs/dbraw/zinc/43/11/10/1039431110.db2.gz DFZXVPUVJNVZBJ-BZSNNMDCSA-N 1 0 300.446 4.193 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000540152111 1039432871 /nfs/dbraw/zinc/43/28/71/1039432871.db2.gz WFYNATKMNRFUFY-IUODEOHRSA-N 1 0 324.262 4.180 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C#N)cc1 ZINC000278391882 1039436921 /nfs/dbraw/zinc/43/69/21/1039436921.db2.gz DVZANPOMSZXMOO-LJQANCHMSA-N 1 0 301.393 4.160 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1F ZINC000540168185 1039437643 /nfs/dbraw/zinc/43/76/43/1039437643.db2.gz CUIFIKGMGHGDRG-CQSZACIVSA-N 1 0 314.429 4.281 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000540217756 1039457326 /nfs/dbraw/zinc/45/73/26/1039457326.db2.gz UVEUGEQGANCZPU-HNNXBMFYSA-N 1 0 315.392 4.021 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000130597279 1039467504 /nfs/dbraw/zinc/46/75/04/1039467504.db2.gz JDFFHYGHXJSEQE-FQEVSTJZSA-N 1 0 306.409 4.386 20 30 DIEDRO CN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)c1F ZINC000540334036 1039476840 /nfs/dbraw/zinc/47/68/40/1039476840.db2.gz WONSEBUQPIJRIF-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1F ZINC000540338636 1039480980 /nfs/dbraw/zinc/48/09/80/1039480980.db2.gz SLNWGUZSGGCMTC-GOSISDBHSA-N 1 0 312.363 4.044 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540342382 1039482069 /nfs/dbraw/zinc/48/20/69/1039482069.db2.gz BBEPBSYAHIKGBB-VHSXEESVSA-N 1 0 306.208 4.110 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(C#N)cc1 ZINC000540606292 1039525694 /nfs/dbraw/zinc/52/56/94/1039525694.db2.gz IKHPMRILCQTKAQ-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2ccc(C#N)s2)C2CC2)ccc1F ZINC000540628698 1039533099 /nfs/dbraw/zinc/53/30/99/1039533099.db2.gz ZSYJZPVPMRRDRO-KRWDZBQOSA-N 1 0 300.402 4.308 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540705253 1039544982 /nfs/dbraw/zinc/54/49/82/1039544982.db2.gz GDDLWBRUWNEXAS-AWEZNQCLSA-N 1 0 312.388 4.206 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000540705541 1039545532 /nfs/dbraw/zinc/54/55/32/1039545532.db2.gz MPJMQIGNOAXSOD-NWDGAFQWSA-N 1 0 318.342 4.430 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)C1 ZINC000657819854 1039567516 /nfs/dbraw/zinc/56/75/16/1039567516.db2.gz UMGGDRHNJVZFCL-CABCVRRESA-N 1 0 312.413 4.185 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000540968619 1039599194 /nfs/dbraw/zinc/59/91/94/1039599194.db2.gz GJDYGGIXJCTKKA-LLVKDONJSA-N 1 0 305.365 4.155 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(OC)c2)CC1)c1ccc(C#N)cc1 ZINC000278641736 1039614851 /nfs/dbraw/zinc/61/48/51/1039614851.db2.gz HNAGMEBOSADIGS-LJQANCHMSA-N 1 0 306.409 4.297 20 30 DIEDRO COc1cccc2c1CC[N@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000541089448 1039619460 /nfs/dbraw/zinc/61/94/60/1039619460.db2.gz WTOKBHSYFBLHBE-UHFFFAOYSA-N 1 0 320.436 4.055 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278705220 1039662677 /nfs/dbraw/zinc/66/26/77/1039662677.db2.gz LFKAWILNBCFUIB-HBGVWJBISA-N 1 0 322.452 4.154 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC000541320521 1039664802 /nfs/dbraw/zinc/66/48/02/1039664802.db2.gz YHNURPORSYBZAD-QRWLVFNGSA-N 1 0 306.409 4.150 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000541326055 1039666344 /nfs/dbraw/zinc/66/63/44/1039666344.db2.gz SXBDZHFJVDGBKK-XOBRGWDASA-N 1 0 324.399 4.289 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC000541320514 1039666709 /nfs/dbraw/zinc/66/67/09/1039666709.db2.gz YHNURPORSYBZAD-FOIQADDNSA-N 1 0 306.409 4.150 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000541564897 1039701420 /nfs/dbraw/zinc/70/14/20/1039701420.db2.gz IKJLOIISBCXFJR-SCLBCKFNSA-N 1 0 314.385 4.394 20 30 DIEDRO CC[N@H+](CCOc1cccc(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000443619376 1039756155 /nfs/dbraw/zinc/75/61/55/1039756155.db2.gz GWUPTPFAPJAONY-MRXNPFEDSA-N 1 0 324.424 4.029 20 30 DIEDRO C[C@@H](C#N)C[N@H+](CCCc1ccccc1Br)C1CC1 ZINC000542207594 1039816513 /nfs/dbraw/zinc/81/65/13/1039816513.db2.gz NHRJHEJJJAAZOV-ZDUSSCGKSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611864335 1039822963 /nfs/dbraw/zinc/82/29/63/1039822963.db2.gz SJBOWGMEPRXNGH-HUUCEWRRSA-N 1 0 318.424 4.106 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000090975056 1039823333 /nfs/dbraw/zinc/82/33/33/1039823333.db2.gz XLCZNMVIPPPCBE-JCYILVPMSA-N 1 0 307.478 4.221 20 30 DIEDRO CCc1ccc([C@H]([NH2+]CC(C)(C)CC#N)c2cccnc2)cc1 ZINC000926566810 1039835746 /nfs/dbraw/zinc/83/57/46/1039835746.db2.gz BBGPTXALGGDOSL-IBGZPJMESA-N 1 0 307.441 4.263 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000491402565 1039844622 /nfs/dbraw/zinc/84/46/22/1039844622.db2.gz URCORZWKCJNKTO-CYBMUJFWSA-N 1 0 316.351 4.353 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2CC(F)(F)C2)cc1Cl ZINC000491559215 1039853708 /nfs/dbraw/zinc/85/37/08/1039853708.db2.gz JAWIVCYFVHMWPI-UHFFFAOYSA-N 1 0 301.764 4.040 20 30 DIEDRO Cc1cccc2oc(CC[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)nc21 ZINC000271925588 1039901550 /nfs/dbraw/zinc/90/15/50/1039901550.db2.gz GJBNZCPGPUCHHT-ZDUSSCGKSA-N 1 0 323.371 4.040 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000093872516 1039903575 /nfs/dbraw/zinc/90/35/75/1039903575.db2.gz UVEZMEZDKRKIEY-PZJWPPBQSA-N 1 0 315.420 4.440 20 30 DIEDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271933694 1039907392 /nfs/dbraw/zinc/90/73/92/1039907392.db2.gz JLCQMOJVCJKAJH-ACJLOTCBSA-N 1 0 310.372 4.099 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1ccc(C#N)c(F)c1 ZINC000271958962 1039923248 /nfs/dbraw/zinc/92/32/48/1039923248.db2.gz QUHXOWIROXAWQM-CQSZACIVSA-N 1 0 324.399 4.337 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271961622 1039923644 /nfs/dbraw/zinc/92/36/44/1039923644.db2.gz RHJBVCGABBKRLV-BFUOFWGJSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271966563 1039941101 /nfs/dbraw/zinc/94/11/01/1039941101.db2.gz VOZRDIWYZKJJHY-OAHLLOKOSA-N 1 0 323.415 4.148 20 30 DIEDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271981763 1039947207 /nfs/dbraw/zinc/94/72/07/1039947207.db2.gz ZADBEHOWWGASSK-AWEZNQCLSA-N 1 0 312.388 4.085 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000492400056 1039959910 /nfs/dbraw/zinc/95/99/10/1039959910.db2.gz QVTMFBQLOPUKKS-MRXNPFEDSA-N 1 0 319.246 4.085 20 30 DIEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492609377 1039986998 /nfs/dbraw/zinc/98/69/98/1039986998.db2.gz SZJKAAVYJQTVDH-BXUZGUMPSA-N 1 0 307.235 4.084 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000492635140 1039988363 /nfs/dbraw/zinc/98/83/63/1039988363.db2.gz YFILQPWWVHXGHH-CJNGLKHVSA-N 1 0 319.246 4.085 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443986771 1040006343 /nfs/dbraw/zinc/00/63/43/1040006343.db2.gz WLCVVFLVMVSOSE-SFTDATJTSA-N 1 0 320.436 4.185 20 30 DIEDRO Cc1cc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)ccc1C#N ZINC000443986933 1040007013 /nfs/dbraw/zinc/00/70/13/1040007013.db2.gz GOPQDTYXQLFZEO-VQTJNVASSA-N 1 0 324.399 4.016 20 30 DIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000492818316 1040024646 /nfs/dbraw/zinc/02/46/46/1040024646.db2.gz NLSHZZGLGUNTGM-WBVHZDCISA-N 1 0 324.428 4.057 20 30 DIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000492818314 1040025281 /nfs/dbraw/zinc/02/52/81/1040025281.db2.gz NLSHZZGLGUNTGM-NVXWUHKLSA-N 1 0 324.428 4.057 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000657905438 1040110209 /nfs/dbraw/zinc/11/02/09/1040110209.db2.gz KMDOBEYAUOARNC-NBYUQASBSA-N 1 0 301.474 4.266 20 30 DIEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000597210675 1040123745 /nfs/dbraw/zinc/12/37/45/1040123745.db2.gz HLXKHQLSSMKHLK-YLJYHZDGSA-N 1 0 324.468 4.146 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1)c1ccccc1 ZINC000669991680 1040136930 /nfs/dbraw/zinc/13/69/30/1040136930.db2.gz IWJZAKMOPRFEDK-UHFFFAOYSA-N 1 0 317.436 4.199 20 30 DIEDRO C=CCCCCCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000309675528 1040166709 /nfs/dbraw/zinc/16/67/09/1040166709.db2.gz WHIYXCRDVSLVGH-UHFFFAOYSA-N 1 0 310.482 4.112 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000657928886 1040187098 /nfs/dbraw/zinc/18/70/98/1040187098.db2.gz WBVZFEWLESRNTR-ZBFHGGJFSA-N 1 0 313.470 4.430 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000657982114 1040245339 /nfs/dbraw/zinc/24/53/39/1040245339.db2.gz UYDRPZJTKCEVBN-WMLDXEAASA-N 1 0 306.450 4.214 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000657989984 1040258913 /nfs/dbraw/zinc/25/89/13/1040258913.db2.gz QHKGBDZNZRGRFC-NJAFHUGGSA-N 1 0 301.478 4.046 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000658028356 1040265400 /nfs/dbraw/zinc/26/54/00/1040265400.db2.gz CUZOUOXJMWTMAT-XGXHKWSGSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000658028639 1040266320 /nfs/dbraw/zinc/26/63/20/1040266320.db2.gz KXKSBJAYLYKOBZ-DODZYUBVSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000658041771 1040277943 /nfs/dbraw/zinc/27/79/43/1040277943.db2.gz HOCPDKAMRSXUEG-JCHJZTRSSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CCCC1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCCC1 ZINC000658096691 1040302421 /nfs/dbraw/zinc/30/24/21/1040302421.db2.gz OAENKSCDAWUIGF-UHFFFAOYSA-N 1 0 319.411 4.339 20 30 DIEDRO COc1c(C)cc(C[N@H+](C)Cc2ccc(CC#N)cc2)cc1C ZINC000612065600 1040325796 /nfs/dbraw/zinc/32/57/96/1040325796.db2.gz JIHFGSDSWRJCFU-UHFFFAOYSA-N 1 0 308.425 4.010 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(-c2ccc(OC)cc2)no1 ZINC000658189292 1040348546 /nfs/dbraw/zinc/34/85/46/1040348546.db2.gz YUEGUELPULBPPB-UONOGXRCSA-N 1 0 300.402 4.041 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000658207770 1040356206 /nfs/dbraw/zinc/35/62/06/1040356206.db2.gz XDIUDAPJCHXQTG-INIZCTEOSA-N 1 0 312.413 4.117 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000179327634 1040389770 /nfs/dbraw/zinc/38/97/70/1040389770.db2.gz OXZHOKGTWKBJDD-INIZCTEOSA-N 1 0 324.424 4.008 20 30 DIEDRO CCCCCCCCC[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC001167684435 1040399203 /nfs/dbraw/zinc/39/92/03/1040399203.db2.gz GNUGRFLOUHQMOH-DLBZAZTESA-N 1 0 317.539 4.025 20 30 DIEDRO COc1cccc(CC2CC[NH+](CCCC(C)(C)C#N)CC2)c1 ZINC000612122270 1040402740 /nfs/dbraw/zinc/40/27/40/1040402740.db2.gz IZQMYVNASHVUOM-UHFFFAOYSA-N 1 0 314.473 4.280 20 30 DIEDRO COc1cccc(CC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000612122170 1040402771 /nfs/dbraw/zinc/40/27/71/1040402771.db2.gz DKTXDDIWLZHHJG-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000658334729 1040424887 /nfs/dbraw/zinc/42/48/87/1040424887.db2.gz AJXXFZSTIBJCND-VXGBXAGGSA-N 1 0 307.846 4.266 20 30 DIEDRO CC(C)COc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000179454355 1040461369 /nfs/dbraw/zinc/46/13/69/1040461369.db2.gz PQSSVDHRRYUZRX-MRXNPFEDSA-N 1 0 308.425 4.444 20 30 DIEDRO N#CCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000612191094 1040491527 /nfs/dbraw/zinc/49/15/27/1040491527.db2.gz LWRRMYGJDTZKJF-UHFFFAOYSA-N 1 0 303.409 4.083 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000612204144 1040501845 /nfs/dbraw/zinc/50/18/45/1040501845.db2.gz JNPHKPOWNUZMLO-AWEZNQCLSA-N 1 0 310.372 4.113 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000179602727 1040512183 /nfs/dbraw/zinc/51/21/83/1040512183.db2.gz MYBWMAJZPBTYDT-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1OC ZINC000179743001 1040526896 /nfs/dbraw/zinc/52/68/96/1040526896.db2.gz ZUPMUVUWYSRWKP-GOSISDBHSA-N 1 0 324.424 4.206 20 30 DIEDRO CCCCN(CCC#N)Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143463648 1040563880 /nfs/dbraw/zinc/56/38/80/1040563880.db2.gz KDQWSGDKSQPDFW-UHFFFAOYSA-N 1 0 314.351 4.409 20 30 DIEDRO C[N@H+](Cc1ccc(CC#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982951 1040581601 /nfs/dbraw/zinc/58/16/01/1040581601.db2.gz ZKXOVECPUFAJLB-IYBDPMFKSA-N 1 0 310.363 4.306 20 30 DIEDRO COc1ccc(C[NH+](CCCC#N)Cc2ccc(OC)cc2)cc1 ZINC000034332178 1040582975 /nfs/dbraw/zinc/58/29/75/1040582975.db2.gz ASNMKPXOYQNIKV-UHFFFAOYSA-N 1 0 324.424 4.010 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000318401958 1040613589 /nfs/dbraw/zinc/61/35/89/1040613589.db2.gz JKFQPRDLUSARNC-KURKYZTESA-N 1 0 306.494 4.112 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC000065959240 1040627259 /nfs/dbraw/zinc/62/72/59/1040627259.db2.gz WRHQVSHGNLKPCR-UHFFFAOYSA-N 1 0 317.436 4.103 20 30 DIEDRO Cc1csc([C@@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000612574227 1040643683 /nfs/dbraw/zinc/64/36/83/1040643683.db2.gz JYDGYCMHDPSFKM-YVEFUNNKSA-N 1 0 311.454 4.094 20 30 DIEDRO Cc1cnc([C@@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000612576871 1040647997 /nfs/dbraw/zinc/64/79/97/1040647997.db2.gz FUFNNXJOFVMUIX-SJCJKPOMSA-N 1 0 311.454 4.094 20 30 DIEDRO CC(C)Oc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000236707086 1040650593 /nfs/dbraw/zinc/65/05/93/1040650593.db2.gz VQKQGBZGTHTKAM-KRWDZBQOSA-N 1 0 322.452 4.456 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2cccnc2)C(C)C)cc1 ZINC000177595484 1040716839 /nfs/dbraw/zinc/71/68/39/1040716839.db2.gz ZWIZVONKHOJQDA-OAQYLSRUSA-N 1 0 322.452 4.013 20 30 DIEDRO CC[C@H](CC#N)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000613044460 1040773835 /nfs/dbraw/zinc/77/38/35/1040773835.db2.gz FLYVOPOASOAMIT-LJQANCHMSA-N 1 0 317.436 4.471 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414080514 1040832653 /nfs/dbraw/zinc/83/26/53/1040832653.db2.gz AAOMUKXBVNMALU-AWEZNQCLSA-N 1 0 302.443 4.053 20 30 DIEDRO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000066420942 1040835254 /nfs/dbraw/zinc/83/52/54/1040835254.db2.gz WLYFLTXXQIIPQR-ZDUSSCGKSA-N 1 0 316.351 4.353 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCc2cccc(Br)c2)C1 ZINC000613254365 1040844230 /nfs/dbraw/zinc/84/42/30/1040844230.db2.gz IDOOKWKIVJPAMG-GDBMZVCRSA-N 1 0 321.262 4.054 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000613254761 1040845175 /nfs/dbraw/zinc/84/51/75/1040845175.db2.gz YDGWREZTYSKJQO-IUODEOHRSA-N 1 0 301.821 4.036 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)CC3 ZINC000613255764 1040846540 /nfs/dbraw/zinc/84/65/40/1040846540.db2.gz GQZAGWYWLKTQEV-HRCADAONSA-N 1 0 307.441 4.006 20 30 DIEDRO N#Cc1ccc(C[N@H+](CC2CC2)C2CCC2)c(C(F)(F)F)c1 ZINC000581520411 1040861079 /nfs/dbraw/zinc/86/10/79/1040861079.db2.gz WAAZPFHKRPKYDK-UHFFFAOYSA-N 1 0 308.347 4.342 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CCCC2)nc1 ZINC000581891915 1040895300 /nfs/dbraw/zinc/89/53/00/1040895300.db2.gz KEYCGBSTOHYGQC-UHFFFAOYSA-N 1 0 309.388 4.037 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000414138662 1040909216 /nfs/dbraw/zinc/90/92/16/1040909216.db2.gz FUAWOGGILGACQU-IFXJQAMLSA-N 1 0 306.409 4.213 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000414142802 1040920531 /nfs/dbraw/zinc/92/05/31/1040920531.db2.gz JDLSOTKZBKJRJO-HUUCEWRRSA-N 1 0 311.404 4.154 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(Br)cc1F ZINC000414162509 1040941277 /nfs/dbraw/zinc/94/12/77/1040941277.db2.gz HGEUQQLAAYUFSY-SNVBAGLBSA-N 1 0 313.214 4.179 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000414309681 1041104380 /nfs/dbraw/zinc/10/43/80/1041104380.db2.gz VKFHGWMIEZQHOW-HRAATJIYSA-N 1 0 322.452 4.483 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000414309686 1041105742 /nfs/dbraw/zinc/10/57/42/1041105742.db2.gz VKFHGWMIEZQHOW-IIBYNOLFSA-N 1 0 322.452 4.483 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000414310662 1041108654 /nfs/dbraw/zinc/10/86/54/1041108654.db2.gz WXKYBXVRRXNDEV-YJBOKZPZSA-N 1 0 311.425 4.239 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000616810509 1041130876 /nfs/dbraw/zinc/13/08/76/1041130876.db2.gz YQRXASJAQVQPCK-HNNXBMFYSA-N 1 0 310.363 4.277 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C[NH2+]CC ZINC000659018533 1041149763 /nfs/dbraw/zinc/14/97/63/1041149763.db2.gz IKJBJTDDSLOASB-RDJZCZTQSA-N 1 0 315.461 4.053 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000809425415 1041154422 /nfs/dbraw/zinc/15/44/22/1041154422.db2.gz ZSVWOVBJCMCDMV-UHFFFAOYSA-N 1 0 301.389 4.120 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000180549741 1041170214 /nfs/dbraw/zinc/17/02/14/1041170214.db2.gz XCOFUGQBUOXDET-PZJWPPBQSA-N 1 0 320.436 4.090 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000180560044 1041171263 /nfs/dbraw/zinc/17/12/63/1041171263.db2.gz WOXTZJRRPIRVBI-UXHICEINSA-N 1 0 324.399 4.154 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)cc1 ZINC000809612084 1041195205 /nfs/dbraw/zinc/19/52/05/1041195205.db2.gz DYJPGSMWGZRKAL-UHFFFAOYSA-N 1 0 307.437 4.273 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc(Br)ccc2C)cc1 ZINC000809650170 1041212144 /nfs/dbraw/zinc/21/21/44/1041212144.db2.gz PWBIKEYWBNUPOS-UHFFFAOYSA-N 1 0 314.226 4.029 20 30 DIEDRO C#Cc1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cc1 ZINC000809655967 1041212197 /nfs/dbraw/zinc/21/21/97/1041212197.db2.gz TWBQVCXDKIKPCF-UHFFFAOYSA-N 1 0 307.359 4.413 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(C)c2Br)cc1 ZINC000809650652 1041212621 /nfs/dbraw/zinc/21/26/21/1041212621.db2.gz HXDAORKVRSHKNZ-UHFFFAOYSA-N 1 0 314.226 4.029 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)C1CCSCC1)c1ccc(Cl)cc1F ZINC000809699541 1041217656 /nfs/dbraw/zinc/21/76/56/1041217656.db2.gz POWALLXMGACZAR-BZNIZROVSA-N 1 0 311.853 4.275 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000809663770 1041221379 /nfs/dbraw/zinc/22/13/79/1041221379.db2.gz USURCGABTXHPNY-MRXNPFEDSA-N 1 0 307.359 4.222 20 30 DIEDRO Cc1ccccc1[C@H](O)C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000809703660 1041228513 /nfs/dbraw/zinc/22/85/13/1041228513.db2.gz SFEZKHVJUQCLPS-LJQANCHMSA-N 1 0 314.473 4.070 20 30 DIEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000236732054 1041232228 /nfs/dbraw/zinc/23/22/28/1041232228.db2.gz FLJOJLORYSWBGK-UHFFFAOYSA-N 1 0 304.846 4.341 20 30 DIEDRO C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000613540397 1041235844 /nfs/dbraw/zinc/23/58/44/1041235844.db2.gz UQBCBCWJXVZTHZ-KJPDOMRESA-N 1 0 300.446 4.102 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C)C(C)(C)C ZINC000809781679 1041254830 /nfs/dbraw/zinc/25/48/30/1041254830.db2.gz XOKGINIPGJHWAK-BBRMVZONSA-N 1 0 320.864 4.003 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H](CC)CCCCCC)C2)C1=O ZINC001170593470 1041291062 /nfs/dbraw/zinc/29/10/62/1041291062.db2.gz RQSXWQSDENPGKN-QUCCMNQESA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccsc1Br)C1CC1 ZINC000381669198 1041291445 /nfs/dbraw/zinc/29/14/45/1041291445.db2.gz WFTQOICMJXQSPD-GFCCVEGCSA-N 1 0 300.265 4.345 20 30 DIEDRO C=C(C)C[NH2+][C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000810133431 1041316761 /nfs/dbraw/zinc/31/67/61/1041316761.db2.gz HLDHSELDYJIEKS-QGZVFWFLSA-N 1 0 318.461 4.198 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H](c2ccccc2)C2CCCCC2)n1 ZINC000810131343 1041317263 /nfs/dbraw/zinc/31/72/63/1041317263.db2.gz XCCIJIABPYLHSV-GOSISDBHSA-N 1 0 311.454 4.426 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H](CC)CCCCCC)CC2 ZINC001170600274 1041333668 /nfs/dbraw/zinc/33/36/68/1041333668.db2.gz RUSPQQSWGLXBKG-SFHVURJKSA-N 1 0 320.521 4.378 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000810212523 1041337891 /nfs/dbraw/zinc/33/78/91/1041337891.db2.gz SPZWDJISHCTWOW-YJYMSZOUSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000810212520 1041338671 /nfs/dbraw/zinc/33/86/71/1041338671.db2.gz SPZWDJISHCTWOW-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810227565 1041342247 /nfs/dbraw/zinc/34/22/47/1041342247.db2.gz XXQRKEMYBNKKLP-AWEZNQCLSA-N 1 0 317.351 4.044 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(Cl)cc(F)cc1Cl ZINC001218452546 1041371087 /nfs/dbraw/zinc/37/10/87/1041371087.db2.gz XXCZFOMGLMNJHW-CHWSQXEVSA-N 1 0 304.192 4.208 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000924599502 1041382387 /nfs/dbraw/zinc/38/23/87/1041382387.db2.gz HLRCWWYTOQNDIB-KGLIPLIRSA-N 1 0 313.445 4.014 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000341029542 1041435633 /nfs/dbraw/zinc/43/56/33/1041435633.db2.gz BGWQRXCCCJCSLA-FQEVSTJZSA-N 1 0 324.424 4.077 20 30 DIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccc(C#N)cc1 ZINC000747633917 1041447482 /nfs/dbraw/zinc/44/74/82/1041447482.db2.gz ZMPMDPWTYFQDMK-UHFFFAOYSA-N 1 0 320.440 4.114 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCC(C)(C)c2ccccc2)cc1 ZINC000728711893 1041478625 /nfs/dbraw/zinc/47/86/25/1041478625.db2.gz NWWMUCDWIUAZHP-KRWDZBQOSA-N 1 0 322.452 4.435 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2csc3ccccc23)cc1 ZINC000728711952 1041479184 /nfs/dbraw/zinc/47/91/84/1041479184.db2.gz PUNCZZOQCYAPEN-CQSZACIVSA-N 1 0 322.433 4.482 20 30 DIEDRO Cc1ccc(CCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 ZINC000728713325 1041480296 /nfs/dbraw/zinc/48/02/96/1041480296.db2.gz ZMTATNJVLRXPRJ-SFHVURJKSA-N 1 0 322.452 4.317 20 30 DIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728715112 1041480833 /nfs/dbraw/zinc/48/08/33/1041480833.db2.gz IGXLEMOWHKNHHJ-SUMDDJOVSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C1CCCCC1 ZINC000728715180 1041482424 /nfs/dbraw/zinc/48/24/24/1041482424.db2.gz OAOVLJQVYMNGSU-BEFAXECRSA-N 1 0 300.446 4.426 20 30 DIEDRO C=CCCCCC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC001170633132 1041506970 /nfs/dbraw/zinc/50/69/70/1041506970.db2.gz SWPWHLBDJTXLGP-UHFFFAOYSA-N 1 0 308.853 4.325 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC3(CCCC3)C2)c(C(F)(F)F)c1 ZINC000811463149 1041520555 /nfs/dbraw/zinc/52/05/55/1041520555.db2.gz LQXLWLVEDNVAIX-UHFFFAOYSA-N 1 0 308.347 4.343 20 30 DIEDRO C=CC[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccncc1 ZINC000811481362 1041528371 /nfs/dbraw/zinc/52/83/71/1041528371.db2.gz YOZISZOXLNZZRJ-KRWDZBQOSA-N 1 0 304.796 4.324 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000811517113 1041528878 /nfs/dbraw/zinc/52/88/78/1041528878.db2.gz IGAIGZJQUDUNGX-OAHLLOKOSA-N 1 0 306.192 4.163 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001170637800 1041538783 /nfs/dbraw/zinc/53/87/83/1041538783.db2.gz CXDDQXWRARFMAZ-LLGFUMIMSA-N 1 0 320.436 4.355 20 30 DIEDRO CCCC[NH+](CCCC)CCNc1cccc(CC#N)c1F ZINC001167733277 1041544147 /nfs/dbraw/zinc/54/41/47/1041544147.db2.gz QLWGOLKEUPKUKA-UHFFFAOYSA-N 1 0 305.441 4.206 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(F)cc1C#N ZINC001170639547 1041546487 /nfs/dbraw/zinc/54/64/87/1041546487.db2.gz QGKNKXSICKJGJY-SIFCLUCFSA-N 1 0 308.400 4.464 20 30 DIEDRO CCCC[N@H+](CCOc1cccc(C#N)c1)C1CCCCC1 ZINC001170640445 1041551180 /nfs/dbraw/zinc/55/11/80/1041551180.db2.gz XNBAPSSSZIDODC-UHFFFAOYSA-N 1 0 300.446 4.372 20 30 DIEDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181796527 1041557468 /nfs/dbraw/zinc/55/74/68/1041557468.db2.gz GDBDVJTURWOSOL-KRWDZBQOSA-N 1 0 308.425 4.099 20 30 DIEDRO Cc1cccc(C)c1CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000182026102 1041562677 /nfs/dbraw/zinc/56/26/77/1041562677.db2.gz FXSPLLNACRKOQS-QGZVFWFLSA-N 1 0 308.425 4.099 20 30 DIEDRO CC1(C)[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@H]1c1ccccc1 ZINC000184561387 1041596085 /nfs/dbraw/zinc/59/60/85/1041596085.db2.gz GKXVQKYZVVJCOS-PMACEKPBSA-N 1 0 320.436 4.261 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1cccc(C#N)c1 ZINC001170666889 1041600504 /nfs/dbraw/zinc/60/05/04/1041600504.db2.gz RIGVKVSODKKNFV-YVEFUNNKSA-N 1 0 312.363 4.045 20 30 DIEDRO N#CCc1cccc(NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000417029783 1041628148 /nfs/dbraw/zinc/62/81/48/1041628148.db2.gz FNKMEMTWQOBZLP-UHFFFAOYSA-N 1 0 319.452 4.351 20 30 DIEDRO C=CCCCCC[C@@H](C)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000812778827 1041647162 /nfs/dbraw/zinc/64/71/62/1041647162.db2.gz PHYXAECRIJSGLK-YLJYHZDGSA-N 1 0 316.489 4.190 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000812857001 1041652767 /nfs/dbraw/zinc/65/27/67/1041652767.db2.gz FLAZYHXRTYJODA-HXUWFJFHSA-N 1 0 317.473 4.187 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812900606 1041660438 /nfs/dbraw/zinc/66/04/38/1041660438.db2.gz KFWIRODICQEOFP-INIZCTEOSA-N 1 0 317.477 4.227 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812899830 1041660528 /nfs/dbraw/zinc/66/05/28/1041660528.db2.gz DPRVIJKAGQZMCP-MRXNPFEDSA-N 1 0 315.461 4.003 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417375924 1041667862 /nfs/dbraw/zinc/66/78/62/1041667862.db2.gz ZYNSAWROFHAEIP-AZUAARDMSA-N 1 0 323.415 4.457 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(F)c1 ZINC000417395216 1041668852 /nfs/dbraw/zinc/66/88/52/1041668852.db2.gz WALWTTRFFPWBMR-RNODOKPDSA-N 1 0 324.399 4.434 20 30 DIEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000728776693 1041678907 /nfs/dbraw/zinc/67/89/07/1041678907.db2.gz SQDHFWAFTODQDB-BPQIPLTHSA-N 1 0 300.446 4.282 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000747870631 1041728134 /nfs/dbraw/zinc/72/81/34/1041728134.db2.gz DQQDLOBDQNGSGI-HZPDHXFCSA-N 1 0 314.256 4.361 20 30 DIEDRO CCCCCCC[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000813767732 1041730316 /nfs/dbraw/zinc/73/03/16/1041730316.db2.gz AGBAYEUSLYYBLM-UHFFFAOYSA-N 1 0 313.445 4.212 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000813879960 1041742607 /nfs/dbraw/zinc/74/26/07/1041742607.db2.gz TWJFPHAGXMOHQJ-HZPDHXFCSA-N 1 0 322.493 4.110 20 30 DIEDRO Cc1c(C#N)c(NCCC[N@H+]2CCCC[C@@H]2C)nc2ccccc12 ZINC001167751747 1041746366 /nfs/dbraw/zinc/74/63/66/1041746366.db2.gz NABNDZZSJWXNQY-HNNXBMFYSA-N 1 0 322.456 4.091 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(Sc3ccccc3)CC2)s1 ZINC000176967247 1041750535 /nfs/dbraw/zinc/75/05/35/1041750535.db2.gz BPEPCATYYAIKDE-UHFFFAOYSA-N 1 0 300.452 4.034 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000814304877 1041808151 /nfs/dbraw/zinc/80/81/51/1041808151.db2.gz UKXHREXAWQWYMM-NRFANRHFSA-N 1 0 318.420 4.223 20 30 DIEDRO C=C(C)CC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000775615146 1041832494 /nfs/dbraw/zinc/83/24/94/1041832494.db2.gz UYJYNNPSXUEGPO-UHFFFAOYSA-N 1 0 322.493 4.064 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cnc(Cl)s1)c1ccccc1 ZINC000814659382 1041845274 /nfs/dbraw/zinc/84/52/74/1041845274.db2.gz MRGXNEFIAZIUHN-AWEZNQCLSA-N 1 0 305.834 4.321 20 30 DIEDRO Cc1ccc(OCC[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000814656844 1041845943 /nfs/dbraw/zinc/84/59/43/1041845943.db2.gz AEZLTKAXZASADT-HXUWFJFHSA-N 1 0 308.425 4.399 20 30 DIEDRO CC(=NNc1cccc(Cl)c1)c1ccc(C[NH+](C)C)cc1 ZINC000814693443 1041854591 /nfs/dbraw/zinc/85/45/91/1041854591.db2.gz PUOBZURHKWCTOP-UHFFFAOYSA-N 1 0 301.821 4.238 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000651672257 1041875271 /nfs/dbraw/zinc/87/52/71/1041875271.db2.gz VRQDKZVNFPPJEP-KHYOSLBOSA-N 1 0 312.457 4.431 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000651672258 1041875689 /nfs/dbraw/zinc/87/56/89/1041875689.db2.gz VRQDKZVNFPPJEP-QMTMVMCOSA-N 1 0 312.457 4.431 20 30 DIEDRO CC(N=Nc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000814860011 1041878889 /nfs/dbraw/zinc/87/88/89/1041878889.db2.gz ANJYKSHBOKTFOV-UHFFFAOYSA-N 1 0 300.233 4.123 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C)cc1 ZINC000093149407 1041883897 /nfs/dbraw/zinc/88/38/97/1041883897.db2.gz YCWQFSZKCALWQU-JKSUJKDBSA-N 1 0 306.409 4.097 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000661114826 1041888581 /nfs/dbraw/zinc/88/85/81/1041888581.db2.gz MTTDVVSYVNWQPK-ZBFHGGJFSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000661118128 1041890228 /nfs/dbraw/zinc/89/02/28/1041890228.db2.gz WVWVDAXIJTUJRS-GXTWGEPZSA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000651718890 1041893388 /nfs/dbraw/zinc/89/33/88/1041893388.db2.gz CDTGMQFIAITAHJ-DFEOGRTESA-N 1 0 318.530 4.465 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N(CC)CC)cc2)C1 ZINC000651749951 1041902110 /nfs/dbraw/zinc/90/21/10/1041902110.db2.gz PTSXSFNGFNLTNQ-VQIMIIECSA-N 1 0 314.473 4.003 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000815090716 1041909025 /nfs/dbraw/zinc/90/90/25/1041909025.db2.gz KUQQOOAJBOEXIJ-INWMFGNUSA-N 1 0 308.347 4.187 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000661379631 1041929719 /nfs/dbraw/zinc/92/97/19/1041929719.db2.gz FMXBYIJPEZMHPB-CYBMUJFWSA-N 1 0 317.820 4.178 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000594501185 1041932729 /nfs/dbraw/zinc/93/27/29/1041932729.db2.gz WIJZGXSLOXPUIN-IBGZPJMESA-N 1 0 308.400 4.404 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815201355 1041933257 /nfs/dbraw/zinc/93/32/57/1041933257.db2.gz LHRQXWOKKOQRGY-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO C#CCC[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000815303170 1041942124 /nfs/dbraw/zinc/94/21/24/1041942124.db2.gz WSQZKOBCQNRUME-UHFFFAOYSA-N 1 0 314.429 4.250 20 30 DIEDRO C=CCCCCCN1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661537611 1041950902 /nfs/dbraw/zinc/95/09/02/1041950902.db2.gz VWRUARDTIMHYQS-ZDUSSCGKSA-N 1 0 313.367 4.379 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1)c1ccncc1 ZINC000815580821 1041965735 /nfs/dbraw/zinc/96/57/35/1041965735.db2.gz RKHSQTXQLRTYSV-RBUKOAKNSA-N 1 0 324.424 4.226 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815578878 1041965799 /nfs/dbraw/zinc/96/57/99/1041965799.db2.gz ZMUJIMGAYCNYKM-INIZCTEOSA-N 1 0 311.425 4.425 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652196324 1041974670 /nfs/dbraw/zinc/97/46/70/1041974670.db2.gz PBBNKBPCJOWGTB-LSDHHAIUSA-N 1 0 307.434 4.108 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000815638037 1041981467 /nfs/dbraw/zinc/98/14/67/1041981467.db2.gz MGIQZPXKURICBN-SNVBAGLBSA-N 1 0 315.230 4.236 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000815638118 1041981725 /nfs/dbraw/zinc/98/17/25/1041981725.db2.gz OJJDWLFENBWKFJ-SFHVURJKSA-N 1 0 316.489 4.138 20 30 DIEDRO N#Cc1cc(Nc2ccc(Cl)c(Cl)c2)cc(C2C[NH2+]C2)c1 ZINC001159422663 1041992691 /nfs/dbraw/zinc/99/26/91/1041992691.db2.gz GFIQVYYHAAWSTN-UHFFFAOYSA-N 1 0 318.207 4.295 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccccc2C(C)C)CCCC1 ZINC000661851315 1042005696 /nfs/dbraw/zinc/00/56/96/1042005696.db2.gz QAGUKDGQNZEIFN-UHFFFAOYSA-N 1 0 300.446 4.227 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000662080058 1042057542 /nfs/dbraw/zinc/05/75/42/1042057542.db2.gz MNTLCLQGQGNXTF-CWRNSKLLSA-N 1 0 318.848 4.158 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000599014763 1042057850 /nfs/dbraw/zinc/05/78/50/1042057850.db2.gz QVAWAJGRDJVDMZ-UHFFFAOYSA-N 1 0 321.827 4.422 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(=O)Nc1c(C)cccc1C ZINC000662081631 1042057911 /nfs/dbraw/zinc/05/79/11/1042057911.db2.gz PRANTUDSJPHMBT-HDICACEKSA-N 1 0 312.457 4.205 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000662086308 1042059638 /nfs/dbraw/zinc/05/96/38/1042059638.db2.gz QTJLPVGZHZWZGP-BMFZPTHFSA-N 1 0 318.848 4.158 20 30 DIEDRO C=CCCn1cc(C[N@H+](C(C)C)[C@@H](CC)c2ccccc2)nn1 ZINC000662105300 1042066116 /nfs/dbraw/zinc/06/61/16/1042066116.db2.gz OPDFXICSOMXIBK-IBGZPJMESA-N 1 0 312.461 4.216 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000816619701 1042075184 /nfs/dbraw/zinc/07/51/84/1042075184.db2.gz QZKADMQWYPHQDK-XLIONFOSSA-N 1 0 320.436 4.357 20 30 DIEDRO C[C@H](C[NH2+][C@H](CCC#N)c1ccccc1)CC1CCOCC1 ZINC000350112869 1042134214 /nfs/dbraw/zinc/13/42/14/1042134214.db2.gz WMUADNOTJXUGGM-QFBILLFUSA-N 1 0 300.446 4.074 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cccc(Cl)c2C1)c1ccc(C#N)cc1 ZINC001170894995 1042149591 /nfs/dbraw/zinc/14/95/91/1042149591.db2.gz QCFABKMGSQWMOG-DYVFJYSZSA-N 1 0 310.828 4.420 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000818356636 1042151033 /nfs/dbraw/zinc/15/10/33/1042151033.db2.gz PAPAYMJEBXDWIT-NLWGTHIKSA-N 1 0 320.436 4.348 20 30 DIEDRO N#Cc1cc(Nc2cccc(Cl)c2Cl)cc(C2C[NH2+]C2)c1 ZINC001159703467 1042153344 /nfs/dbraw/zinc/15/33/44/1042153344.db2.gz KFKSMJYZLWGQNM-UHFFFAOYSA-N 1 0 318.207 4.295 20 30 DIEDRO C=C(CC(C)C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001136163972 1042159409 /nfs/dbraw/zinc/15/94/09/1042159409.db2.gz CDFACGLDODZLKX-MRXNPFEDSA-N 1 0 314.473 4.459 20 30 DIEDRO CCC1CCC(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000314647583 1042162892 /nfs/dbraw/zinc/16/28/92/1042162892.db2.gz CSOWQUZWQPUHCY-GTPINHCMSA-N 1 0 300.446 4.456 20 30 DIEDRO CC(=[NH+]N[C@H](C)c1ccncc1)c1ccc(N2CCCCC2)cc1 ZINC000819815061 1042195350 /nfs/dbraw/zinc/19/53/50/1042195350.db2.gz LHIPHEWCFPNITA-QGZVFWFLSA-N 1 0 322.456 4.147 20 30 DIEDRO CCOc1ccccc1/C=C/C(=O)c1cccc(C[NH+](C)C)c1 ZINC000821021620 1042238706 /nfs/dbraw/zinc/23/87/06/1042238706.db2.gz JLXVYYPZHZXANJ-OUKQBFOZSA-N 1 0 309.409 4.043 20 30 DIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000821022164 1042239700 /nfs/dbraw/zinc/23/97/00/1042239700.db2.gz PJAVLNYYYNLHGH-SOFGYWHQSA-N 1 0 305.830 4.359 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001170966952 1042252460 /nfs/dbraw/zinc/25/24/60/1042252460.db2.gz JCOWWTQVMCDZFA-CYBMUJFWSA-N 1 0 314.816 4.380 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2OC)C(C)C)cc1 ZINC000182053256 1042264487 /nfs/dbraw/zinc/26/44/87/1042264487.db2.gz XLZUEUQGDPHIBE-HXUWFJFHSA-N 1 0 324.424 4.062 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000772858327 1042274597 /nfs/dbraw/zinc/27/45/97/1042274597.db2.gz QHBOBNOIGIZWFQ-OALUTQOASA-N 1 0 317.379 4.295 20 30 DIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000618568320 1042287687 /nfs/dbraw/zinc/28/76/87/1042287687.db2.gz QBDDRVKQQJYICC-RKVPGOIHSA-N 1 0 318.436 4.291 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000822525430 1042289128 /nfs/dbraw/zinc/28/91/28/1042289128.db2.gz GQODFAGBKFWFMB-JKSUJKDBSA-N 1 0 319.408 4.042 20 30 DIEDRO C=C(C)C[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001170990256 1042291437 /nfs/dbraw/zinc/29/14/37/1042291437.db2.gz JSKJRWBZVARYAK-IRXDYDNUSA-N 1 0 322.493 4.064 20 30 DIEDRO CC[NH+](CC)[C@@H](C/N=C/c1cc(Cl)ccc1O)c1ccco1 ZINC000067005695 1042294415 /nfs/dbraw/zinc/29/44/15/1042294415.db2.gz OAGJCFSMDHRGSF-BKQORJHRSA-N 1 0 320.820 4.141 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822803104 1042301250 /nfs/dbraw/zinc/30/12/50/1042301250.db2.gz HWHHOMBOUZMHNR-INIZCTEOSA-N 1 0 321.251 4.231 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2ncc(C#N)cc2Cl)cc1 ZINC001204677446 1042322528 /nfs/dbraw/zinc/32/25/28/1042322528.db2.gz AINGFGYVERITRZ-UHFFFAOYSA-N 1 0 314.820 4.238 20 30 DIEDRO CC(C)N(Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1F ZINC000823403929 1042324127 /nfs/dbraw/zinc/32/41/27/1042324127.db2.gz GMRGAZSMCOWISP-UHFFFAOYSA-N 1 0 317.795 4.156 20 30 DIEDRO N#Cc1c(Cl)ccc(Nc2cccc3c2CC[NH2+]C3)c1Cl ZINC001160249872 1042330257 /nfs/dbraw/zinc/33/02/57/1042330257.db2.gz JHBYSYBNSRUIFH-UHFFFAOYSA-N 1 0 318.207 4.254 20 30 DIEDRO C=CCCCCC[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC001167897056 1042341465 /nfs/dbraw/zinc/34/14/65/1042341465.db2.gz CQLVHKAHRURMSE-SFHVURJKSA-N 1 0 310.482 4.016 20 30 DIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236868423 1042350682 /nfs/dbraw/zinc/35/06/82/1042350682.db2.gz IGXLEMOWHKNHHJ-KVSKMBFKSA-N 1 0 300.446 4.426 20 30 DIEDRO CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236887746 1042374834 /nfs/dbraw/zinc/37/48/34/1042374834.db2.gz VZDGPQXILIHHMB-XLIONFOSSA-N 1 0 322.452 4.478 20 30 DIEDRO C=C(C[NH2+]Cc1cc(Br)cs1)c1ccccc1 ZINC000110057578 1042393840 /nfs/dbraw/zinc/39/38/40/1042393840.db2.gz CMNSQOFDNFESHP-UHFFFAOYSA-N 1 0 308.244 4.314 20 30 DIEDRO N#CCCN(Cc1cc2ccnc(Cl)c2s1)CC1CC1 ZINC000894003931 1042401788 /nfs/dbraw/zinc/40/17/88/1042401788.db2.gz UZNBHPIMVJDYNU-UHFFFAOYSA-N 1 0 305.834 4.075 20 30 DIEDRO CC(C)(C#N)c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000614159693 1042418254 /nfs/dbraw/zinc/41/82/54/1042418254.db2.gz OKSPFZIGAAAQDL-FQEVSTJZSA-N 1 0 320.436 4.061 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000614162899 1042418996 /nfs/dbraw/zinc/41/89/96/1042418996.db2.gz DJWHTHVGBPVPQT-IBGZPJMESA-N 1 0 304.437 4.477 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000614163934 1042419076 /nfs/dbraw/zinc/41/90/76/1042419076.db2.gz LNDBVSFIKKSEBT-ZVBHREPYSA-N 1 0 308.469 4.498 20 30 DIEDRO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H](CCO)c1ccccc1 ZINC000614168827 1042419598 /nfs/dbraw/zinc/41/95/98/1042419598.db2.gz WOHLZENIGFIAGB-FQEVSTJZSA-N 1 0 322.452 4.043 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1C ZINC000614164678 1042419871 /nfs/dbraw/zinc/41/98/71/1042419871.db2.gz PKHBWNMFHFCDFV-UHFFFAOYSA-N 1 0 322.452 4.437 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@@H](CC)C2)c1 ZINC000236948033 1042421262 /nfs/dbraw/zinc/42/12/62/1042421262.db2.gz FHDLNLVIXITUCD-NJAFHUGGSA-N 1 0 300.446 4.426 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000614179281 1042422257 /nfs/dbraw/zinc/42/22/57/1042422257.db2.gz MPRZMWPGSACNMP-UHFFFAOYSA-N 1 0 308.400 4.406 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CC(Cc3ccc(F)cc3)C2)cc1 ZINC000614177311 1042422700 /nfs/dbraw/zinc/42/27/00/1042422700.db2.gz PBOGTORGCGIYIE-UHFFFAOYSA-N 1 0 322.427 4.301 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1[N+](=O)[O-] ZINC000614183108 1042424077 /nfs/dbraw/zinc/42/40/77/1042424077.db2.gz XOFZHYGKCLYNSH-AWEZNQCLSA-N 1 0 323.396 4.247 20 30 DIEDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614182244 1042424114 /nfs/dbraw/zinc/42/41/14/1042424114.db2.gz JPVKNYHPARTWQV-HNNXBMFYSA-N 1 0 307.441 4.296 20 30 DIEDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614182247 1042424212 /nfs/dbraw/zinc/42/42/12/1042424212.db2.gz JPVKNYHPARTWQV-OAHLLOKOSA-N 1 0 307.441 4.296 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1)c1nccs1 ZINC000614183905 1042424862 /nfs/dbraw/zinc/42/48/62/1042424862.db2.gz NECCMANXPGVRNW-CQSZACIVSA-N 1 0 313.470 4.180 20 30 DIEDRO C=CCN(Cc1ccc(Cl)s1)[C@H](C)c1cnc(C)cn1 ZINC000411141935 1042427053 /nfs/dbraw/zinc/42/70/53/1042427053.db2.gz WIHMIXBPHKVOKO-GFCCVEGCSA-N 1 0 307.850 4.249 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CCC#N)ccc1OCCC(C)C ZINC000411445512 1042446543 /nfs/dbraw/zinc/44/65/43/1042446543.db2.gz AEJBOLFQTIEHOY-JKSUJKDBSA-N 1 0 318.461 4.463 20 30 DIEDRO Cc1cc2cc(C[NH2+]Cc3ccc(CC#N)cc3)oc2cc1C ZINC000576399339 1042486727 /nfs/dbraw/zinc/48/67/27/1042486727.db2.gz MFYRGASUKPQLIH-UHFFFAOYSA-N 1 0 304.393 4.406 20 30 DIEDRO Cc1cc(C#N)ccc1CN(C)[C@@H](C)c1cc(F)ccc1F ZINC000614397734 1042490308 /nfs/dbraw/zinc/49/03/08/1042490308.db2.gz ZAXHVQLGNUIYTJ-ZDUSSCGKSA-N 1 0 300.352 4.338 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)cc1 ZINC000614395948 1042491227 /nfs/dbraw/zinc/49/12/27/1042491227.db2.gz CCIXLSTUHFXJAV-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000614402115 1042491758 /nfs/dbraw/zinc/49/17/58/1042491758.db2.gz KWDCLQVPVRDEOZ-LEWJYISDSA-N 1 0 315.420 4.138 20 30 DIEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000729268255 1042517256 /nfs/dbraw/zinc/51/72/56/1042517256.db2.gz UDFRZOMBNTZHOP-HXUWFJFHSA-N 1 0 306.409 4.235 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000237105727 1042524667 /nfs/dbraw/zinc/52/46/67/1042524667.db2.gz HSZDPBZDUCUFSD-OAHLLOKOSA-N 1 0 324.424 4.011 20 30 DIEDRO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000513363848 1042535375 /nfs/dbraw/zinc/53/53/75/1042535375.db2.gz LAODYDWGFSGBEF-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000513402645 1042539413 /nfs/dbraw/zinc/53/94/13/1042539413.db2.gz YKLQNBYSHVNMLI-GOSISDBHSA-N 1 0 310.828 4.419 20 30 DIEDRO COCCCC[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000419394112 1042541878 /nfs/dbraw/zinc/54/18/78/1042541878.db2.gz VTHBFPSQIAJTQY-UHFFFAOYSA-N 1 0 308.425 4.084 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(Cl)c1 ZINC000182594427 1042544883 /nfs/dbraw/zinc/54/48/83/1042544883.db2.gz DQHXRXKAFNRFQW-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO C=C(C)C[NH+]1CCC(NCc2cc(Cl)ccc2Cl)CC1 ZINC000513512024 1042550187 /nfs/dbraw/zinc/55/01/87/1042550187.db2.gz MQZYMQNKXQBXME-UHFFFAOYSA-N 1 0 313.272 4.124 20 30 DIEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000513713022 1042594007 /nfs/dbraw/zinc/59/40/07/1042594007.db2.gz IZXYLAGYLDIYBN-WZOJCFFYSA-N 1 0 312.457 4.272 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805727 1042611309 /nfs/dbraw/zinc/61/13/09/1042611309.db2.gz PAJGGYSVRIQMKS-RBUKOAKNSA-N 1 0 321.380 4.195 20 30 DIEDRO CCC(CC)CN(CCC#N)Cc1cnc2ccc(Cl)cn12 ZINC000513729778 1042612889 /nfs/dbraw/zinc/61/28/89/1042612889.db2.gz SDUWDASTPUSDSL-UHFFFAOYSA-N 1 0 318.852 4.140 20 30 DIEDRO N#CC1(CCC[NH2+][C@@H](CC(F)F)c2ccccc2)CCOCC1 ZINC000421001832 1042620615 /nfs/dbraw/zinc/62/06/15/1042620615.db2.gz XHRHOCUGTBXJBN-INIZCTEOSA-N 1 0 322.399 4.073 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000319677223 1042626512 /nfs/dbraw/zinc/62/65/12/1042626512.db2.gz ABSLKZGAXSDQLZ-CABCVRRESA-N 1 0 310.397 4.009 20 30 DIEDRO CC(C)(C)CN(CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000513745665 1042628763 /nfs/dbraw/zinc/62/87/63/1042628763.db2.gz DKIDCJVHUWBYHB-UHFFFAOYSA-N 1 0 314.351 4.189 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(Sc3ccccc3)CC2)cc1F ZINC000421329925 1042630523 /nfs/dbraw/zinc/63/05/23/1042630523.db2.gz WLJBUYKNRDYFCG-UHFFFAOYSA-N 1 0 312.413 4.112 20 30 DIEDRO CCCCOc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000421334580 1042631331 /nfs/dbraw/zinc/63/13/31/1042631331.db2.gz QDSYWEMEXNSXJD-UHFFFAOYSA-N 1 0 312.388 4.166 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000421347517 1042631420 /nfs/dbraw/zinc/63/14/20/1042631420.db2.gz COBZZSCMJGSRDY-GJZGRUSLSA-N 1 0 311.454 4.139 20 30 DIEDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc(C#N)s1 ZINC000421352062 1042631476 /nfs/dbraw/zinc/63/14/76/1042631476.db2.gz PTKAWFWPJOBZDP-JTQLQIEISA-N 1 0 310.875 4.446 20 30 DIEDRO CCCCOc1ccccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000421354613 1042631698 /nfs/dbraw/zinc/63/16/98/1042631698.db2.gz WWWAPFBTQWDYPZ-UHFFFAOYSA-N 1 0 300.427 4.088 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000421370972 1042633730 /nfs/dbraw/zinc/63/37/30/1042633730.db2.gz XJXPSBHQWDEMBS-BXUZGUMPSA-N 1 0 314.326 4.156 20 30 DIEDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000016420404 1042638934 /nfs/dbraw/zinc/63/89/34/1042638934.db2.gz DWJFCSLKSRTEON-QGZVFWFLSA-N 1 0 312.438 4.008 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421837053 1042656086 /nfs/dbraw/zinc/65/60/86/1042656086.db2.gz RXLQXBGYGPKAMN-CQSZACIVSA-N 1 0 324.871 4.040 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc(C)n1 ZINC000421855524 1042657752 /nfs/dbraw/zinc/65/77/52/1042657752.db2.gz MMLCNEREJAZVHK-HXUWFJFHSA-N 1 0 305.425 4.127 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1F)C(C)C ZINC000421848744 1042660455 /nfs/dbraw/zinc/66/04/55/1042660455.db2.gz AVOTYTIYEKUPQA-ZMYBRWDISA-N 1 0 321.436 4.102 20 30 DIEDRO CC(C)c1ccc([C@H](N)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000423244283 1042702538 /nfs/dbraw/zinc/70/25/38/1042702538.db2.gz NSNFXJXNRYFZBL-MGPUTAFESA-N 1 0 307.441 4.032 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000424173916 1042727840 /nfs/dbraw/zinc/72/78/40/1042727840.db2.gz NSMJWQDZUPFTAN-HZMBPMFUSA-N 1 0 319.754 4.040 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000424191594 1042728844 /nfs/dbraw/zinc/72/88/44/1042728844.db2.gz HNFAWCYCDGYVDN-QFBILLFUSA-N 1 0 324.399 4.187 20 30 DIEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000424203813 1042729027 /nfs/dbraw/zinc/72/90/27/1042729027.db2.gz RZBHIGMDEWGQCS-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000424203043 1042729157 /nfs/dbraw/zinc/72/91/57/1042729157.db2.gz UHNMOIXWXWFYRO-QWHCGFSZSA-N 1 0 300.789 4.382 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000424191791 1042729470 /nfs/dbraw/zinc/72/94/70/1042729470.db2.gz ICJXLVFQCBAMPR-OLZOCXBDSA-N 1 0 323.421 4.338 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000424291805 1042731611 /nfs/dbraw/zinc/73/16/11/1042731611.db2.gz FNLNSGJPZKPGQN-JVPBZIDWSA-N 1 0 310.441 4.034 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000424301368 1042732317 /nfs/dbraw/zinc/73/23/17/1042732317.db2.gz ZUJBUUFWGZWTIB-RCBQFDQVSA-N 1 0 323.889 4.448 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000424329107 1042734672 /nfs/dbraw/zinc/73/46/72/1042734672.db2.gz PAAMDQXSGKPYCN-GLQYFDAESA-N 1 0 307.235 4.182 20 30 DIEDRO C=C(C)C(C)(C)C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000424737738 1042751037 /nfs/dbraw/zinc/75/10/37/1042751037.db2.gz OMAWFULLMRHDDT-UHFFFAOYSA-N 1 0 300.446 4.199 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCC(F)(F)C1 ZINC000513893550 1042760868 /nfs/dbraw/zinc/76/08/68/1042760868.db2.gz WADITGVHJXOGEM-QGZVFWFLSA-N 1 0 304.384 4.372 20 30 DIEDRO C=CCCCCCCCCC(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001269807437 1042770314 /nfs/dbraw/zinc/77/03/14/1042770314.db2.gz CYRRSIYPKLDUOP-KDURUIRLSA-N 1 0 320.521 4.093 20 30 DIEDRO CCc1oc2ccccc2c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000514712775 1042788547 /nfs/dbraw/zinc/78/85/47/1042788547.db2.gz MXOBUHGCFUIPJH-UHFFFAOYSA-N 1 0 304.393 4.499 20 30 DIEDRO C=CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](CC)CCCC ZINC001269960645 1042802053 /nfs/dbraw/zinc/80/20/53/1042802053.db2.gz QFKNZTXFPTUBKU-CADBVGFASA-N 1 0 320.521 4.090 20 30 DIEDRO C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C[C@H](CC)CCCC ZINC001269961076 1042802233 /nfs/dbraw/zinc/80/22/33/1042802233.db2.gz UENWJGWMLQFOKR-RDGPPVDQSA-N 1 0 320.521 4.090 20 30 DIEDRO C=CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](CC)CCCC ZINC001269960653 1042802244 /nfs/dbraw/zinc/80/22/44/1042802244.db2.gz QFKNZTXFPTUBKU-MKXGPGLRSA-N 1 0 320.521 4.090 20 30 DIEDRO C=CCC(C)(C)C(=O)N1CC2(CC[N@H+]2C[C@H](CC)CCCC)C1 ZINC001269976790 1042806469 /nfs/dbraw/zinc/80/64/69/1042806469.db2.gz BESAUYDHTSPVOC-QGZVFWFLSA-N 1 0 320.521 4.092 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(F)c1 ZINC000515511599 1042823267 /nfs/dbraw/zinc/82/32/67/1042823267.db2.gz OJWOQIOZXJIQGQ-SFHVURJKSA-N 1 0 312.363 4.044 20 30 DIEDRO Cc1c(C[NH2+]C[C@H](C#N)CCC#N)sc2ccc(Cl)cc12 ZINC000515760458 1042834357 /nfs/dbraw/zinc/83/43/57/1042834357.db2.gz GAAOBZCBIVYGSX-LBPRGKRZSA-N 1 0 317.845 4.396 20 30 DIEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](C#N)CCC#N ZINC000425539962 1042838112 /nfs/dbraw/zinc/83/81/12/1042838112.db2.gz NJSNUPMGJGTSQB-OAHLLOKOSA-N 1 0 323.362 4.013 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000516893932 1042859101 /nfs/dbraw/zinc/85/91/01/1042859101.db2.gz HUHHUPFLJBGQTG-OLZOCXBDSA-N 1 0 303.381 4.189 20 30 DIEDRO N#CCCC1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000516968468 1042861929 /nfs/dbraw/zinc/86/19/29/1042861929.db2.gz SDCVLKCXNUYKOA-UHFFFAOYSA-N 1 0 311.454 4.326 20 30 DIEDRO Cc1ccccc1[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000517054224 1042864359 /nfs/dbraw/zinc/86/43/59/1042864359.db2.gz DPUPLADTSKKYHE-KRWDZBQOSA-N 1 0 308.425 4.076 20 30 DIEDRO CC[C@@]1(C[NH2+][C@@H](C)c2cccc(C#N)c2)OCCc2ccccc21 ZINC000517442566 1042880889 /nfs/dbraw/zinc/88/08/89/1042880889.db2.gz UVHGFSXRIHYDHA-KKSFZXQISA-N 1 0 320.436 4.087 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000925031706 1042893822 /nfs/dbraw/zinc/89/38/22/1042893822.db2.gz ZXCHQMMOOGSSJP-FQEVSTJZSA-N 1 0 308.425 4.277 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)cc1 ZINC000518762211 1042920022 /nfs/dbraw/zinc/92/00/22/1042920022.db2.gz GOYPJBBHADEFPG-UHFFFAOYSA-N 1 0 311.400 4.212 20 30 DIEDRO C[C@]1(Br)C[C@H]1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000894607557 1042969986 /nfs/dbraw/zinc/96/99/86/1042969986.db2.gz UPLAXWJYRHAFBS-XHSDSOJGSA-N 1 0 321.262 4.185 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1cc2c(cc1O)CCC2 ZINC000729469506 1042976706 /nfs/dbraw/zinc/97/67/06/1042976706.db2.gz BDNLRBGPTPXFQL-UHFFFAOYSA-N 1 0 300.446 4.033 20 30 DIEDRO Cc1noc2ncc(C[NH2+][C@@H](CCCC#N)c3ccccc3)cc12 ZINC000894855145 1042989503 /nfs/dbraw/zinc/98/95/03/1042989503.db2.gz NOVDHBXHUZJRMQ-SFHVURJKSA-N 1 0 320.396 4.056 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894880568 1042996937 /nfs/dbraw/zinc/99/69/37/1042996937.db2.gz MASHABHBMLXLDJ-JQWIXIFHSA-N 1 0 305.834 4.122 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+]([C@H]3CCc4ccccc43)CC2)c1 ZINC000614532429 1043002493 /nfs/dbraw/zinc/00/24/93/1043002493.db2.gz DGMCQJGSOMFIMK-NRFANRHFSA-N 1 0 318.420 4.089 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000441370812 1043041092 /nfs/dbraw/zinc/04/10/92/1043041092.db2.gz JDCVSBHBRMAXBB-UHFFFAOYSA-N 1 0 317.483 4.291 20 30 DIEDRO Cc1nn(C(C)C)c(C)c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000894964775 1043052033 /nfs/dbraw/zinc/05/20/33/1043052033.db2.gz YHMFDOMJDWQGRM-FQEVSTJZSA-N 1 0 322.456 4.120 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000173918876 1043055231 /nfs/dbraw/zinc/05/52/31/1043055231.db2.gz JPOGEWISMHTTBL-LSDHHAIUSA-N 1 0 324.424 4.296 20 30 DIEDRO CN(c1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1)C1CCCCC1 ZINC000174321669 1043063818 /nfs/dbraw/zinc/06/38/18/1043063818.db2.gz AROQFXADCJJALT-UHFFFAOYSA-N 1 0 323.440 4.210 20 30 DIEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)[C@@H](O)c1ccccc1 ZINC000794830801 1043069613 /nfs/dbraw/zinc/06/96/13/1043069613.db2.gz LKAXTGYURBNTPP-XPGWFJOJSA-N 1 0 308.425 4.111 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000794834410 1043079186 /nfs/dbraw/zinc/07/91/86/1043079186.db2.gz NINOJLMGZFBMAV-YOEHRIQHSA-N 1 0 323.864 4.020 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000794834395 1043080440 /nfs/dbraw/zinc/08/04/40/1043080440.db2.gz NINOJLMGZFBMAV-PBHICJAKSA-N 1 0 323.864 4.020 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000120563510 1043101415 /nfs/dbraw/zinc/10/14/15/1043101415.db2.gz RDENGJWAZHTHEY-HNNXBMFYSA-N 1 0 324.399 4.281 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OC(F)F)cc1 ZINC000176944133 1043102106 /nfs/dbraw/zinc/10/21/06/1043102106.db2.gz GTXMCHMGQCWSMB-JTQLQIEISA-N 1 0 308.353 4.072 20 30 DIEDRO CC(C)(C)c1csc(CNCc2ccc(C#N)c(Cl)c2)n1 ZINC000865556369 1043113615 /nfs/dbraw/zinc/11/36/15/1043113615.db2.gz DNHRASZJPDAZEO-UHFFFAOYSA-N 1 0 319.861 4.255 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc(OC(C)(C)C)c2)CCOCC1 ZINC000865626333 1043118277 /nfs/dbraw/zinc/11/82/77/1043118277.db2.gz NPIDVUSMQTXVNE-UHFFFAOYSA-N 1 0 303.446 4.079 20 30 DIEDRO CC1CCC([N@@H+](Cc2ccccc2C#N)C[C@@H]2CCCO2)CC1 ZINC000441468730 1043152984 /nfs/dbraw/zinc/15/29/84/1043152984.db2.gz UNTLKRXMEIQEAI-GQOXECLESA-N 1 0 312.457 4.118 20 30 DIEDRO Cn1cc(CC[NH2+]CC(C)(C)CCC#N)c2ccc(Cl)cc21 ZINC000189530854 1043157636 /nfs/dbraw/zinc/15/76/36/1043157636.db2.gz ZCWPRBULWIMTDV-UHFFFAOYSA-N 1 0 317.864 4.294 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](c2ccccn2)C(C)C)c1 ZINC000866296340 1043176301 /nfs/dbraw/zinc/17/63/01/1043176301.db2.gz BABPFSARESOFQF-XLIONFOSSA-N 1 0 323.440 4.249 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866353211 1043185648 /nfs/dbraw/zinc/18/56/48/1043185648.db2.gz PTIHRQGPRYPTME-SCWSEQNSSA-N 1 0 324.468 4.127 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000866403112 1043199005 /nfs/dbraw/zinc/19/90/05/1043199005.db2.gz QTTONODAQHRBEZ-IVMQYODDSA-N 1 0 314.498 4.123 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)oc1C ZINC000866448285 1043203122 /nfs/dbraw/zinc/20/31/22/1043203122.db2.gz CPGIEWJGMTXSKO-OAHLLOKOSA-N 1 0 323.440 4.088 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000866450423 1043203730 /nfs/dbraw/zinc/20/37/30/1043203730.db2.gz GZBVHYDHFXTBEU-NVPAJSRCSA-N 1 0 318.436 4.474 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000866533457 1043219117 /nfs/dbraw/zinc/21/91/17/1043219117.db2.gz JEMDPWHMAHRDFF-VBNZEHGJSA-N 1 0 308.347 4.354 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccco1 ZINC000866572645 1043226722 /nfs/dbraw/zinc/22/67/22/1043226722.db2.gz DNWOMRNTWKRKCO-KRWDZBQOSA-N 1 0 309.413 4.006 20 30 DIEDRO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1(O)CCCCCC1 ZINC000614598709 1043227148 /nfs/dbraw/zinc/22/71/48/1043227148.db2.gz PJFGSDUFHCEDGB-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000866609681 1043232047 /nfs/dbraw/zinc/23/20/47/1043232047.db2.gz MVXHPRXSQPXYFV-APHBMKBZSA-N 1 0 324.346 4.137 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1noc2cc(F)ccc21 ZINC000866608688 1043232591 /nfs/dbraw/zinc/23/25/91/1043232591.db2.gz DMENHXCNPYOWKC-KRWDZBQOSA-N 1 0 321.355 4.006 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cc2cnccc2o1 ZINC000866619470 1043238239 /nfs/dbraw/zinc/23/82/39/1043238239.db2.gz GKHWOKZQXFBVEU-SJCJKPOMSA-N 1 0 303.365 4.038 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cc3cnccc3o2)cc1 ZINC000866622397 1043240073 /nfs/dbraw/zinc/24/00/73/1043240073.db2.gz ZFFFLTATOXKYBQ-LSDHHAIUSA-N 1 0 320.392 4.252 20 30 DIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)C=NOCCC(F)(F)F ZINC000777456446 1043256648 /nfs/dbraw/zinc/25/66/48/1043256648.db2.gz ZKXXUTSDFPIKTE-UHFFFAOYSA-N 1 0 316.367 4.099 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3OC)cc1 ZINC000121912695 1043265555 /nfs/dbraw/zinc/26/55/55/1043265555.db2.gz UNKPNSQKTMHBQN-FOIQADDNSA-N 1 0 321.420 4.045 20 30 DIEDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000193994644 1043288927 /nfs/dbraw/zinc/28/89/27/1043288927.db2.gz BMGUNRJJCLWEAQ-SCLBCKFNSA-N 1 0 314.816 4.250 20 30 DIEDRO Cc1ccc([C@H](C[NH2+]CC(C)(C)CCC#N)N2CCCC2)cc1 ZINC000266198686 1043300389 /nfs/dbraw/zinc/30/03/89/1043300389.db2.gz KLCRXDMIIOAPHE-IBGZPJMESA-N 1 0 313.489 4.052 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001319851837 1043304120 /nfs/dbraw/zinc/30/41/20/1043304120.db2.gz OWFAEKCIGPTVRD-UHFFFAOYSA-N 1 0 305.853 4.156 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)C1CC1 ZINC000427872227 1043311780 /nfs/dbraw/zinc/31/17/80/1043311780.db2.gz CGVGYGYBJAUWIK-CQSZACIVSA-N 1 0 303.837 4.061 20 30 DIEDRO C[C@@H](NCc1ccc(Cl)cc1F)c1ccc(C#N)c(F)c1 ZINC000427895027 1043314009 /nfs/dbraw/zinc/31/40/09/1043314009.db2.gz RRGGNRANRMAEHG-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCOC1 ZINC001202528284 1043318466 /nfs/dbraw/zinc/31/84/66/1043318466.db2.gz BDEJEZYUROSPNY-YLJYHZDGSA-N 1 0 320.436 4.158 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOC1 ZINC001202528282 1043318611 /nfs/dbraw/zinc/31/86/11/1043318611.db2.gz BDEJEZYUROSPNY-XLIONFOSSA-N 1 0 320.436 4.158 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000268789265 1043330529 /nfs/dbraw/zinc/33/05/29/1043330529.db2.gz FIGGPRZWUODVAJ-UONOGXRCSA-N 1 0 309.369 4.187 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)COc2cccc(C)c2)cc1 ZINC000520946917 1043341804 /nfs/dbraw/zinc/34/18/04/1043341804.db2.gz UUCJJZFXWWCZBY-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000123650188 1043377963 /nfs/dbraw/zinc/37/79/63/1043377963.db2.gz NWSBZCNOUUVJEJ-OXJNMPFZSA-N 1 0 306.409 4.315 20 30 DIEDRO CC(C)c1ccc(O[C@@H](C)C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000521305905 1043385616 /nfs/dbraw/zinc/38/56/16/1043385616.db2.gz CLQGXHUCGVKMBG-AWEZNQCLSA-N 1 0 314.454 4.300 20 30 DIEDRO CC[N@H+](Cc1cccc(OCCCC#N)c1)[C@H](C)c1cccnc1 ZINC000521317911 1043386498 /nfs/dbraw/zinc/38/64/98/1043386498.db2.gz DSQQASYOXMDVRV-QGZVFWFLSA-N 1 0 323.440 4.347 20 30 DIEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)o1 ZINC000521334846 1043388966 /nfs/dbraw/zinc/38/89/66/1043388966.db2.gz CWRIKMXDRNPPOC-HNAYVOBHSA-N 1 0 324.424 4.375 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000442647901 1043399451 /nfs/dbraw/zinc/39/94/51/1043399451.db2.gz LCNGUONZDAPBPS-DOTOQJQBSA-N 1 0 310.372 4.400 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000521472869 1043399584 /nfs/dbraw/zinc/39/95/84/1043399584.db2.gz KZBUYOBZVVJGGR-OAHLLOKOSA-N 1 0 317.477 4.469 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000442717256 1043411372 /nfs/dbraw/zinc/41/13/72/1043411372.db2.gz NLISBXZKIDQKGB-NQIIRXRSSA-N 1 0 320.436 4.185 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000442779496 1043415985 /nfs/dbraw/zinc/41/59/85/1043415985.db2.gz LPJOKNZPPIPBQT-DGCLKSJQSA-N 1 0 313.228 4.044 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000442774684 1043416357 /nfs/dbraw/zinc/41/63/57/1043416357.db2.gz ARPHNCSKPURGHX-UONOGXRCSA-N 1 0 304.384 4.058 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1 ZINC000871934011 1043417007 /nfs/dbraw/zinc/41/70/07/1043417007.db2.gz BFPTUNWEYBLNGH-VXGBXAGGSA-N 1 0 319.330 4.384 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000442774680 1043417495 /nfs/dbraw/zinc/41/74/95/1043417495.db2.gz ARPHNCSKPURGHX-KGLIPLIRSA-N 1 0 304.384 4.058 20 30 DIEDRO COc1cccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)c1 ZINC000442794359 1043423077 /nfs/dbraw/zinc/42/30/77/1043423077.db2.gz QBOOKPKUVQIXSV-VQIMIIECSA-N 1 0 306.409 4.144 20 30 DIEDRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000442802597 1043425538 /nfs/dbraw/zinc/42/55/38/1043425538.db2.gz QCZVWINNIIGHLY-INIZCTEOSA-N 1 0 312.438 4.138 20 30 DIEDRO CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442799801 1043426545 /nfs/dbraw/zinc/42/65/45/1043426545.db2.gz ZYOVXCKZKRKUMN-FUHWJXTLSA-N 1 0 300.446 4.346 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000271524779 1043431359 /nfs/dbraw/zinc/43/13/59/1043431359.db2.gz OVYTXXVZWVSWPU-YWZLYKJASA-N 1 0 306.409 4.060 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1Br ZINC000442830103 1043432035 /nfs/dbraw/zinc/43/20/35/1043432035.db2.gz RGHXZKLFZAZQOX-QWHCGFSZSA-N 1 0 321.262 4.009 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)Cc1ccsc1 ZINC000442838865 1043433445 /nfs/dbraw/zinc/43/34/45/1043433445.db2.gz UFUDXMAZRHNDSU-AWEZNQCLSA-N 1 0 314.454 4.081 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC000442834983 1043434473 /nfs/dbraw/zinc/43/44/73/1043434473.db2.gz CBESXPBPBVYRQJ-CVEARBPZSA-N 1 0 303.409 4.076 20 30 DIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)CC(C)(C)C#N)c(C)c1 ZINC000925596479 1043436492 /nfs/dbraw/zinc/43/64/92/1043436492.db2.gz WQLORIJWCWTYGQ-HKUYNNGSSA-N 1 0 324.472 4.159 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1CCC(C#N)CC1 ZINC000442865488 1043438257 /nfs/dbraw/zinc/43/82/57/1043438257.db2.gz IKGQKZWDFCGYCA-ALLBUHFWSA-N 1 0 307.441 4.245 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442864946 1043438423 /nfs/dbraw/zinc/43/84/23/1043438423.db2.gz HDLRBKAFHTVQHQ-WYXOVGLDSA-N 1 0 300.421 4.369 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000925619708 1043438804 /nfs/dbraw/zinc/43/88/04/1043438804.db2.gz QVWQURFTVXRFJF-NUJGCVRESA-N 1 0 300.446 4.072 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOc3c(-c4ccccc4)cccc32)C1 ZINC000442871951 1043440696 /nfs/dbraw/zinc/44/06/96/1043440696.db2.gz MLFCUDRFLVCXAY-WRWLIDTKSA-N 1 0 318.420 4.459 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1ccccc1 ZINC000925637903 1043442440 /nfs/dbraw/zinc/44/24/40/1043442440.db2.gz UQEXLWIEULFKBB-MSOLQXFVSA-N 1 0 310.828 4.467 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000442854268 1043444328 /nfs/dbraw/zinc/44/43/28/1043444328.db2.gz AAVUGPRVBONYSQ-IUODEOHRSA-N 1 0 319.246 4.110 20 30 DIEDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000872070728 1043447168 /nfs/dbraw/zinc/44/71/68/1043447168.db2.gz HQQOQNPOJUUQJO-LBPRGKRZSA-N 1 0 321.446 4.297 20 30 DIEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(C)ccc1OC ZINC000442877490 1043447483 /nfs/dbraw/zinc/44/74/83/1043447483.db2.gz USJVOAOMROTOTA-LEOMRAHMSA-N 1 0 300.446 4.374 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)ccc1C#N ZINC000442883373 1043447663 /nfs/dbraw/zinc/44/76/63/1043447663.db2.gz VAUPOSUBAMYBGQ-YOEHRIQHSA-N 1 0 310.397 4.133 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CCO1 ZINC000872086891 1043453807 /nfs/dbraw/zinc/45/38/07/1043453807.db2.gz ZECQIRDPVMIJFV-MSOLQXFVSA-N 1 0 312.457 4.121 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CCO1 ZINC000872086908 1043454414 /nfs/dbraw/zinc/45/44/14/1043454414.db2.gz ZECQIRDPVMIJFV-ROUUACIJSA-N 1 0 312.457 4.121 20 30 DIEDRO COCC(C)(C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000558258965 1043476017 /nfs/dbraw/zinc/47/60/17/1043476017.db2.gz SGKDQCPXFUJOLL-CYBMUJFWSA-N 1 0 308.853 4.315 20 30 DIEDRO N#CCCc1ccc(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000925823272 1043478049 /nfs/dbraw/zinc/47/80/49/1043478049.db2.gz QJIRLHYQZTUTSJ-UXHICEINSA-N 1 0 305.425 4.048 20 30 DIEDRO N#CCCc1ccc(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000925823277 1043478618 /nfs/dbraw/zinc/47/86/18/1043478618.db2.gz QJIRLHYQZTUTSJ-VQTJNVASSA-N 1 0 305.425 4.048 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000349182727 1043497152 /nfs/dbraw/zinc/49/71/52/1043497152.db2.gz FZEVXSFTFDOHCH-MRXNPFEDSA-N 1 0 314.458 4.077 20 30 DIEDRO N#Cc1ccc(C[N@H+](C2CC2)C2CCCC2)c(C(F)(F)F)c1 ZINC000521946999 1043510397 /nfs/dbraw/zinc/51/03/97/1043510397.db2.gz QMCFKPYQPVFCPF-UHFFFAOYSA-N 1 0 308.347 4.484 20 30 DIEDRO Cc1cccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000349699929 1043520056 /nfs/dbraw/zinc/52/00/56/1043520056.db2.gz PJKWJPFWEDRAKL-UHFFFAOYSA-N 1 0 308.425 4.310 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC3(CCCCC3)O1)CC2 ZINC000558508110 1043525630 /nfs/dbraw/zinc/52/56/30/1043525630.db2.gz AYXOKEYIDUIOLD-HKUYNNGSSA-N 1 0 310.441 4.017 20 30 DIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000522039924 1043528287 /nfs/dbraw/zinc/52/82/87/1043528287.db2.gz VXENHGBJWGTOJZ-QVKFZJNVSA-N 1 0 320.436 4.023 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cccc3cc[nH]c32)C2CC2)cc1 ZINC000349921775 1043532337 /nfs/dbraw/zinc/53/23/37/1043532337.db2.gz SLHCJKKZEAFDSG-UHFFFAOYSA-N 1 0 301.393 4.204 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000558567284 1043541758 /nfs/dbraw/zinc/54/17/58/1043541758.db2.gz RSZIDLMCZZBNHG-IRXDYDNUSA-N 1 0 311.454 4.091 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1nc(C#N)cs1 ZINC000558566110 1043542321 /nfs/dbraw/zinc/54/23/21/1043542321.db2.gz CHHRNUSUJFKPND-KRWDZBQOSA-N 1 0 313.470 4.166 20 30 DIEDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)OC(C)C ZINC000926201551 1043544155 /nfs/dbraw/zinc/54/41/55/1043544155.db2.gz HFIFCGLRDNZUSW-CRAIPNDOSA-N 1 0 318.461 4.079 20 30 DIEDRO C=C(C)[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(F)c(F)c1 ZINC000926207004 1043547107 /nfs/dbraw/zinc/54/71/07/1043547107.db2.gz RYXGGQRMWJYADL-TUUKTVPASA-N 1 0 307.384 4.129 20 30 DIEDRO C=C(C)[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(F)c(F)c1 ZINC000926207002 1043547325 /nfs/dbraw/zinc/54/73/25/1043547325.db2.gz RYXGGQRMWJYADL-LJZBCBOVSA-N 1 0 307.384 4.129 20 30 DIEDRO Cc1nc(C)c(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000350651384 1043549115 /nfs/dbraw/zinc/54/91/15/1043549115.db2.gz AQGDSCBUFJCLQV-UHFFFAOYSA-N 1 0 313.470 4.290 20 30 DIEDRO FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C1CC(F)(F)C1 ZINC000926283035 1043557680 /nfs/dbraw/zinc/55/76/80/1043557680.db2.gz GUHPQMIEOPAZPF-UHFFFAOYSA-N 1 0 313.232 4.427 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc2ccccc2[nH]1 ZINC000926318232 1043562040 /nfs/dbraw/zinc/56/20/40/1043562040.db2.gz VKCXEWYWVWZXIN-BFUOFWGJSA-N 1 0 301.393 4.378 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCC2(O)CCC2)C(C)(C)C)cc1 ZINC001168018478 1043562623 /nfs/dbraw/zinc/56/26/23/1043562623.db2.gz QILAHXOUUMBMKR-UHFFFAOYSA-N 1 0 317.473 4.157 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(O)cc(Cl)c3)CCC2)cc1 ZINC000895215462 1043565866 /nfs/dbraw/zinc/56/58/66/1043565866.db2.gz OTNZYJXIZOFINW-UHFFFAOYSA-N 1 0 312.800 4.086 20 30 DIEDRO CCc1nc2cc(C[NH2+][C@H](C)CC(C)(C)C#N)ccc2n1C1CC1 ZINC000926375200 1043572220 /nfs/dbraw/zinc/57/22/20/1043572220.db2.gz YSECPSJQJYPHGH-CQSZACIVSA-N 1 0 324.472 4.352 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3c2nccc3Cl)cc1 ZINC000926401695 1043574358 /nfs/dbraw/zinc/57/43/58/1043574358.db2.gz QPDLYVGEDITOSD-KRWDZBQOSA-N 1 0 314.816 4.077 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CCN([C@@H](C)CC)C2=O)CC1 ZINC001275112114 1043574724 /nfs/dbraw/zinc/57/47/24/1043574724.db2.gz YVEPAMFOOXIEAD-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC[C@H](C)CCC=C(C)C ZINC001275123334 1043576144 /nfs/dbraw/zinc/57/61/44/1043576144.db2.gz DPQGQMWCYZIYEO-GUDVDZBRSA-N 1 0 318.505 4.010 20 30 DIEDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1Cl ZINC000825726606 1043579340 /nfs/dbraw/zinc/57/93/40/1043579340.db2.gz TWMSSQAJWWVOGF-QGZVFWFLSA-N 1 0 312.800 4.003 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(C#N)cc1F ZINC000190492791 1043583956 /nfs/dbraw/zinc/58/39/56/1043583956.db2.gz NRZFLBBSDKCCJN-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccccc1 ZINC000926482042 1043584237 /nfs/dbraw/zinc/58/42/37/1043584237.db2.gz XBYNEBHOCLHXDX-WCIQWLHISA-N 1 0 312.457 4.216 20 30 DIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000926481991 1043584308 /nfs/dbraw/zinc/58/43/08/1043584308.db2.gz WMWQUUULFBWBEJ-FUHWJXTLSA-N 1 0 322.456 4.305 20 30 DIEDRO COc1ccnc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000926480810 1043585015 /nfs/dbraw/zinc/58/50/15/1043585015.db2.gz RGZPVLJYYBEIJW-QAPCUYQASA-N 1 0 309.413 4.176 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccccc1 ZINC000926482038 1043585232 /nfs/dbraw/zinc/58/52/32/1043585232.db2.gz XBYNEBHOCLHXDX-HAGHYFMRSA-N 1 0 312.457 4.216 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000125068213 1043589969 /nfs/dbraw/zinc/58/99/69/1043589969.db2.gz BTVUGOATDZYGPE-CYBMUJFWSA-N 1 0 317.230 4.308 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCOc3c(Cl)cccc31)CC2 ZINC000353248056 1043592703 /nfs/dbraw/zinc/59/27/03/1043592703.db2.gz AJFUBUHUBXJSMA-MSOLQXFVSA-N 1 0 324.811 4.312 20 30 DIEDRO N#CCC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353261866 1043594569 /nfs/dbraw/zinc/59/45/69/1043594569.db2.gz VGKGQIXYHKSNDE-PMACEKPBSA-N 1 0 301.393 4.180 20 30 DIEDRO C=C1CC[NH+](Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000353335836 1043599930 /nfs/dbraw/zinc/59/99/30/1043599930.db2.gz WQUKCQNFAUKVBJ-UHFFFAOYSA-N 1 0 314.454 4.183 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOc3ccccc31)CC2 ZINC000353388985 1043605211 /nfs/dbraw/zinc/60/52/11/1043605211.db2.gz QUXHDUISPILJIL-OALUTQOASA-N 1 0 304.393 4.049 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(O)cc(F)c1 ZINC000926603012 1043606439 /nfs/dbraw/zinc/60/64/39/1043606439.db2.gz QRSZPMQQFASCAO-CWTRNNRKSA-N 1 0 310.372 4.131 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926603051 1043606580 /nfs/dbraw/zinc/60/65/80/1043606580.db2.gz RNJPCTNYMOWRGI-ZWKOTPCHSA-N 1 0 323.827 4.261 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc2c1OCO2 ZINC000926603526 1043606601 /nfs/dbraw/zinc/60/66/01/1043606601.db2.gz VIQPHACTZKEEFF-ACJLOTCBSA-N 1 0 320.392 4.015 20 30 DIEDRO CC[N@H+](C[C@H](OC)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000558832469 1043612815 /nfs/dbraw/zinc/61/28/15/1043612815.db2.gz DARWTQGRBOAKAD-UZLBHIALSA-N 1 0 308.425 4.329 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1ccco1 ZINC000353521591 1043612918 /nfs/dbraw/zinc/61/29/18/1043612918.db2.gz QILNPEVOCHDHHH-SFHVURJKSA-N 1 0 307.397 4.262 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4c3nccc4Cl)CCC2)cc1 ZINC000926671134 1043614691 /nfs/dbraw/zinc/61/46/91/1043614691.db2.gz MLZXVWBOLKBOIE-KRWDZBQOSA-N 1 0 323.827 4.263 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc2nccnc2c1 ZINC001137089010 1043624559 /nfs/dbraw/zinc/62/45/59/1043624559.db2.gz XTJLPQXIOOUCOW-UHFFFAOYSA-N 1 0 303.409 4.208 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](Cc2ccccc2)C2CC2)cc1 ZINC000125422365 1043626053 /nfs/dbraw/zinc/62/60/53/1043626053.db2.gz YRJIAIIPBFTYKE-INIZCTEOSA-N 1 0 306.409 4.142 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000926764955 1043628827 /nfs/dbraw/zinc/62/88/27/1043628827.db2.gz JCKFBMUSDMIMCC-GFCCVEGCSA-N 1 0 305.372 4.454 20 30 DIEDRO COc1cc(C[NH2+][C@H](c2ccc(C)o2)C2CCC2)ccc1C#N ZINC000353655412 1043629704 /nfs/dbraw/zinc/62/97/04/1043629704.db2.gz GBQAXYDPXOBCHV-IBGZPJMESA-N 1 0 310.397 4.099 20 30 DIEDRO C[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C(F)F ZINC000926864542 1043643818 /nfs/dbraw/zinc/64/38/18/1043643818.db2.gz IXXIBBPKJPXJDU-ZCFIWIBFSA-N 1 0 301.221 4.283 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1C#N ZINC000926867324 1043646412 /nfs/dbraw/zinc/64/64/12/1043646412.db2.gz CAESGYFMSFOVKE-LJQANCHMSA-N 1 0 323.465 4.306 20 30 DIEDRO CC[N@H+](CCCc1ccc(C)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000474146300 1043656469 /nfs/dbraw/zinc/65/64/69/1043656469.db2.gz HVRPYLOFHIWKAK-KRWDZBQOSA-N 1 0 307.441 4.277 20 30 DIEDRO COCc1cccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000353915903 1043656621 /nfs/dbraw/zinc/65/66/21/1043656621.db2.gz ODQXEQBSIVBTIQ-FQEVSTJZSA-N 1 0 308.425 4.358 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000353904491 1043657033 /nfs/dbraw/zinc/65/70/33/1043657033.db2.gz ACSNFWUXDYAWMH-HXUWFJFHSA-N 1 0 308.425 4.288 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1C#N ZINC000926967953 1043663716 /nfs/dbraw/zinc/66/37/16/1043663716.db2.gz ZKELXCXZAMXNLI-GOSISDBHSA-N 1 0 310.372 4.009 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)CCC2 ZINC000926967945 1043664267 /nfs/dbraw/zinc/66/42/67/1043664267.db2.gz ZCXIEHATLCDTSX-HNNXBMFYSA-N 1 0 311.454 4.053 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000142885662 1043666941 /nfs/dbraw/zinc/66/69/41/1043666941.db2.gz BZKIOYMFFVHLFZ-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(OCCCC)CC2)c1 ZINC000353997057 1043670830 /nfs/dbraw/zinc/67/08/30/1043670830.db2.gz HVJCVZZVNRTLQP-UHFFFAOYSA-N 1 0 303.446 4.033 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H](C)c2cc(C#N)ccn2)C2CCC2)cc1 ZINC000927065319 1043679637 /nfs/dbraw/zinc/67/96/37/1043679637.db2.gz CSQLIIUBFLYYGY-JLTOFOAXSA-N 1 0 321.424 4.154 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001307742642 1043693607 /nfs/dbraw/zinc/69/36/07/1043693607.db2.gz REGCGAXQAWWIAE-OTWHNJEPSA-N 1 0 311.510 4.395 20 30 DIEDRO CCc1onc(C)c1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000927140617 1043697040 /nfs/dbraw/zinc/69/70/40/1043697040.db2.gz RJNMZQSWFZCVGL-UHFFFAOYSA-N 1 0 323.440 4.039 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000895564023 1043707044 /nfs/dbraw/zinc/70/70/44/1043707044.db2.gz QMPIGZDWXRCQTF-AEFFLSMTSA-N 1 0 322.456 4.196 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@@]2(CCN(CC(C)C)C2=O)C1 ZINC001275336571 1043707752 /nfs/dbraw/zinc/70/77/52/1043707752.db2.gz FWIWZKFDUOSRIL-HXUWFJFHSA-N 1 0 320.521 4.093 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000895564025 1043708671 /nfs/dbraw/zinc/70/86/71/1043708671.db2.gz QMPIGZDWXRCQTF-SJLPKXTDSA-N 1 0 322.456 4.196 20 30 DIEDRO C#CCCCCCC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000876794967 1043710077 /nfs/dbraw/zinc/71/00/77/1043710077.db2.gz HZHZTLXPSOIRER-KKSFZXQISA-N 1 0 305.487 4.001 20 30 DIEDRO C#CCCCCCC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000876794965 1043710311 /nfs/dbraw/zinc/71/03/11/1043710311.db2.gz HZHZTLXPSOIRER-IERDGZPVSA-N 1 0 305.487 4.001 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000895604484 1043712596 /nfs/dbraw/zinc/71/25/96/1043712596.db2.gz JDTBTGNRVKPTBC-LLVKDONJSA-N 1 0 321.218 4.225 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000877028835 1043734316 /nfs/dbraw/zinc/73/43/16/1043734316.db2.gz FMWVJLPFKRATBD-QGZVFWFLSA-N 1 0 311.816 4.156 20 30 DIEDRO C=CCC[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000355038449 1043739679 /nfs/dbraw/zinc/73/96/79/1043739679.db2.gz FIJRSJMPOMSXSP-RBUKOAKNSA-N 1 0 314.473 4.075 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)c2ccccc21 ZINC000877099445 1043742440 /nfs/dbraw/zinc/74/24/40/1043742440.db2.gz GXYUYMZIOLHPQP-MRXNPFEDSA-N 1 0 311.816 4.119 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)CC[P@@](C)(=O)OCC)c1ccccc1 ZINC000877119517 1043744644 /nfs/dbraw/zinc/74/46/44/1043744644.db2.gz GYASRRWNAYQNRL-KUDFPVQQSA-N 1 0 307.374 4.064 20 30 DIEDRO COCCCC[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000355291094 1043758226 /nfs/dbraw/zinc/75/82/26/1043758226.db2.gz MKLVYMSOMIWGSC-SFHVURJKSA-N 1 0 314.454 4.267 20 30 DIEDRO COCCCC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000355284258 1043758298 /nfs/dbraw/zinc/75/82/98/1043758298.db2.gz FEHVALPUAFDFQW-NEWSRXKRSA-N 1 0 300.446 4.216 20 30 DIEDRO CC(C)c1ncc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000355350499 1043761969 /nfs/dbraw/zinc/76/19/69/1043761969.db2.gz CKJNMYDYXZTKPP-UHFFFAOYSA-N 1 0 323.465 4.427 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000877550416 1043774958 /nfs/dbraw/zinc/77/49/58/1043774958.db2.gz WQQAERBLSXOKQS-KRWDZBQOSA-N 1 0 324.815 4.131 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000877551347 1043774987 /nfs/dbraw/zinc/77/49/87/1043774987.db2.gz ZWGWCNCYBITISS-NXEZZACHSA-N 1 0 319.758 4.344 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(C(F)(F)F)nc1Cl ZINC000877551349 1043775355 /nfs/dbraw/zinc/77/53/55/1043775355.db2.gz ZWGWCNCYBITISS-VHSXEESVSA-N 1 0 319.758 4.344 20 30 DIEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+]CC1(C#N)CCCC1 ZINC000877609678 1043779050 /nfs/dbraw/zinc/77/90/50/1043779050.db2.gz NBJLVOALOOOUBB-INIZCTEOSA-N 1 0 307.441 4.229 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000877661183 1043786921 /nfs/dbraw/zinc/78/69/21/1043786921.db2.gz XHAJBPNRZIBTBR-GUYCJALGSA-N 1 0 318.848 4.016 20 30 DIEDRO CCC(CC)(C[NH2+]Cc1cc(C#N)cnc1Cl)C(F)(F)F ZINC000877707908 1043790594 /nfs/dbraw/zinc/79/05/94/1043790594.db2.gz PIMDGURFNHBIJG-UHFFFAOYSA-N 1 0 319.758 4.065 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929162038 1043795931 /nfs/dbraw/zinc/79/59/31/1043795931.db2.gz DSXIXAULXKGUND-QZTJIDSGSA-N 1 0 312.363 4.039 20 30 DIEDRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877813392 1043799542 /nfs/dbraw/zinc/79/95/42/1043799542.db2.gz YNYAGKKWLAKWNN-HNNXBMFYSA-N 1 0 308.347 4.016 20 30 DIEDRO N#CC1(CCCCN2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC000929362420 1043809574 /nfs/dbraw/zinc/80/95/74/1043809574.db2.gz DWVIAHYMUHAEEX-UHFFFAOYSA-N 1 0 317.521 4.048 20 30 DIEDRO CC[N@H+](Cc1cncc(C#N)c1)[C@H](C)c1cc2ccccc2o1 ZINC000929338430 1043811356 /nfs/dbraw/zinc/81/13/56/1043811356.db2.gz UGLHJMDNUDVZCA-CQSZACIVSA-N 1 0 305.381 4.283 20 30 DIEDRO CCC[C@](C)(C#N)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168036924 1043820145 /nfs/dbraw/zinc/82/01/45/1043820145.db2.gz WCSVANUSWMYTCX-PIKOESSRSA-N 1 0 313.489 4.100 20 30 DIEDRO C=CC[C@H](C)[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000877919998 1043825548 /nfs/dbraw/zinc/82/55/48/1043825548.db2.gz AKENBNRVLGFFRK-NSHDSACASA-N 1 0 315.244 4.218 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000929656716 1043832424 /nfs/dbraw/zinc/83/24/24/1043832424.db2.gz QJVFKVCRHLTLIK-LEOMRAHMSA-N 1 0 300.471 4.106 20 30 DIEDRO CC(C)(C)CN(CCC#N)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929691689 1043832796 /nfs/dbraw/zinc/83/27/96/1043832796.db2.gz IXMUHKOKIHOEQH-HZPDHXFCSA-N 1 0 306.400 4.297 20 30 DIEDRO COc1ccccc1[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929691556 1043833551 /nfs/dbraw/zinc/83/35/51/1043833551.db2.gz ZJLNVHIFDQJRJP-KRWDZBQOSA-N 1 0 312.457 4.349 20 30 DIEDRO C#CCCCCC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000877990078 1043837474 /nfs/dbraw/zinc/83/74/74/1043837474.db2.gz NGILNWPNWWSPSF-TXEJJXNPSA-N 1 0 315.301 4.243 20 30 DIEDRO CC(C)CN(Cc1nc2c(o1)CCCC2)Cc1ccc(C#N)cc1 ZINC000878010798 1043840519 /nfs/dbraw/zinc/84/05/19/1043840519.db2.gz RVMBPZRBTBKFEE-UHFFFAOYSA-N 1 0 323.440 4.083 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237363373 1043841657 /nfs/dbraw/zinc/84/16/57/1043841657.db2.gz MDFSBQDNVKMDFS-SJLPKXTDSA-N 1 0 300.446 4.285 20 30 DIEDRO CC[C@H]1CCCCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878123531 1043847198 /nfs/dbraw/zinc/84/71/98/1043847198.db2.gz BBWJJMSGEBIWKF-PMACEKPBSA-N 1 0 312.457 4.082 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000929877056 1043850138 /nfs/dbraw/zinc/85/01/38/1043850138.db2.gz YANAKBSRJFBVFO-OFLPRAFFSA-N 1 0 323.440 4.337 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCc3[nH]c4ccccc4c3C2)CCC1 ZINC000929966738 1043858871 /nfs/dbraw/zinc/85/88/71/1043858871.db2.gz GWFFILXKPYBWFC-UHFFFAOYSA-N 1 0 307.441 4.390 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000930018477 1043869415 /nfs/dbraw/zinc/86/94/15/1043869415.db2.gz OVWUOMVXELTWMJ-UYSNPLJNSA-N 1 0 316.470 4.115 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000878360958 1043875256 /nfs/dbraw/zinc/87/52/56/1043875256.db2.gz KHVGNIKFUXWDHZ-DZGCQCFKSA-N 1 0 308.372 4.065 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cncc(C#N)c1 ZINC000930096445 1043875810 /nfs/dbraw/zinc/87/58/10/1043875810.db2.gz QFSSEKDKFBIAQT-ZDUSSCGKSA-N 1 0 314.458 4.035 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000878361061 1043877585 /nfs/dbraw/zinc/87/75/85/1043877585.db2.gz KHVGNIKFUXWDHZ-ZFWWWQNUSA-N 1 0 308.372 4.065 20 30 DIEDRO C=CC[N@@H+](Cc1cncc(-c2cc(F)ccc2OC)c1)C1CC1 ZINC000930176057 1043886827 /nfs/dbraw/zinc/88/68/27/1043886827.db2.gz PTAHBYDELIJNNP-UHFFFAOYSA-N 1 0 312.388 4.047 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1 ZINC000930204187 1043894457 /nfs/dbraw/zinc/89/44/57/1043894457.db2.gz IVGUJIFPMQCHRR-SFHVURJKSA-N 1 0 311.404 4.359 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc(-n2cccn2)cc1 ZINC000930229017 1043902415 /nfs/dbraw/zinc/90/24/15/1043902415.db2.gz MWNNCZVEFNLVNN-QGZVFWFLSA-N 1 0 322.456 4.387 20 30 DIEDRO C=C1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000561170595 1043905722 /nfs/dbraw/zinc/90/57/22/1043905722.db2.gz KRMDQZQBPTVZMF-UHFFFAOYSA-N 1 0 320.436 4.334 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC ZINC000127265541 1043910374 /nfs/dbraw/zinc/91/03/74/1043910374.db2.gz ZGMIMMSRQLKWOR-UHFFFAOYSA-N 1 0 311.425 4.248 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000930299675 1043910931 /nfs/dbraw/zinc/91/09/31/1043910931.db2.gz IILLPFDVIXHWHE-OTWHNJEPSA-N 1 0 318.505 4.256 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000522469887 1043913037 /nfs/dbraw/zinc/91/30/37/1043913037.db2.gz SQRVCWIPPXZYQC-AEFFLSMTSA-N 1 0 315.420 4.189 20 30 DIEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2cncc(C#N)c2)C1 ZINC000930323333 1043913141 /nfs/dbraw/zinc/91/31/41/1043913141.db2.gz DERKJKACPRRFGE-LJQANCHMSA-N 1 0 305.425 4.147 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@H]1C1CCC1)c1ccccc1 ZINC000878771567 1043918314 /nfs/dbraw/zinc/91/83/14/1043918314.db2.gz OYPJGCSWIWRNEV-LEWJYISDSA-N 1 0 324.468 4.082 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000878914964 1043929527 /nfs/dbraw/zinc/92/95/27/1043929527.db2.gz MWCFVGLDLPBXEQ-OAHLLOKOSA-N 1 0 312.413 4.138 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000879009445 1043936723 /nfs/dbraw/zinc/93/67/23/1043936723.db2.gz YJAUPFRCBWNRDL-JBACZVJFSA-N 1 0 324.468 4.082 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)[C@H]1OCCc2sccc21 ZINC000930558403 1043939620 /nfs/dbraw/zinc/93/96/20/1043939620.db2.gz CXKYCPKPMFPZNF-WMLDXEAASA-N 1 0 318.486 4.204 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)[C@@H]1OCCc2sccc21 ZINC000930558405 1043939993 /nfs/dbraw/zinc/93/99/93/1043939993.db2.gz CXKYCPKPMFPZNF-YOEHRIQHSA-N 1 0 318.486 4.204 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCSc1ccncc1)c1ccccc1 ZINC000930568604 1043941675 /nfs/dbraw/zinc/94/16/75/1043941675.db2.gz IJXMFMKDBOIZOP-SFHVURJKSA-N 1 0 311.454 4.198 20 30 DIEDRO C[C@@H]1C[C@H](C[NH2+][C@@H](CCCC#N)c2ccccc2)C[C@H](C)O1 ZINC000930569737 1043942490 /nfs/dbraw/zinc/94/24/90/1043942490.db2.gz ZHOHTLNNUJZBKC-FAJBIJEISA-N 1 0 300.446 4.215 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000561455666 1043954355 /nfs/dbraw/zinc/95/43/55/1043954355.db2.gz KGXZJNYWDYABJZ-NDXORKPFSA-N 1 0 320.436 4.438 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C)c1ccccc1 ZINC000474879010 1043964508 /nfs/dbraw/zinc/96/45/08/1043964508.db2.gz PQYQGVRSOGGLPJ-KANFNMMFSA-N 1 0 315.457 4.261 20 30 DIEDRO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433941 1043964571 /nfs/dbraw/zinc/96/45/71/1043964571.db2.gz KUAMCCHPVBCOOD-CQSZACIVSA-N 1 0 311.429 4.079 20 30 DIEDRO CC1=Nc2ccccc2C12CC[NH+](CC1CCC(C#N)CC1)CC2 ZINC000930842661 1043967841 /nfs/dbraw/zinc/96/78/41/1043967841.db2.gz HGSLZXKBRSPGMF-UHFFFAOYSA-N 1 0 321.468 4.456 20 30 DIEDRO N#CC1(CCCC[NH2+][C@H](Cc2ccccc2)c2ncco2)CCC1 ZINC000930895967 1043973035 /nfs/dbraw/zinc/97/30/35/1043973035.db2.gz ZYXGURGLVDWSEV-GOSISDBHSA-N 1 0 323.440 4.412 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)cc1 ZINC000879676734 1043981667 /nfs/dbraw/zinc/98/16/67/1043981667.db2.gz JVDAQEIHNQAZFR-NRFANRHFSA-N 1 0 319.452 4.039 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CCC1 ZINC000931024695 1043982776 /nfs/dbraw/zinc/98/27/76/1043982776.db2.gz IRQOXYAFWPVEBN-MSOLQXFVSA-N 1 0 304.478 4.132 20 30 DIEDRO CC[C@H](C)n1ncc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000329496462 1043991994 /nfs/dbraw/zinc/99/19/94/1043991994.db2.gz JATNAKOYUMTNDA-DZGCQCFKSA-N 1 0 306.454 4.015 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000561749560 1044001617 /nfs/dbraw/zinc/00/16/17/1044001617.db2.gz ZKWNSYSATZZIIP-YJYMSZOUSA-N 1 0 313.372 4.002 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000358047277 1044012614 /nfs/dbraw/zinc/01/26/14/1044012614.db2.gz MYJNLQASDLNVSE-FZMZJTMJSA-N 1 0 310.235 4.217 20 30 DIEDRO CC[N@H+](Cc1cc(C)c(O)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000561943214 1044032016 /nfs/dbraw/zinc/03/20/16/1044032016.db2.gz LHMSQZRYHVNKBB-MRXNPFEDSA-N 1 0 308.425 4.464 20 30 DIEDRO CSc1nc(C[NH+]2CCC3(CCCCC3)CC2)ccc1C#N ZINC001141929154 1044033971 /nfs/dbraw/zinc/03/39/71/1044033971.db2.gz NQTQYNUYPHMSNX-UHFFFAOYSA-N 1 0 315.486 4.221 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000931565528 1044045765 /nfs/dbraw/zinc/04/57/65/1044045765.db2.gz QGCVCASPSAFKPU-AWEZNQCLSA-N 1 0 305.381 4.167 20 30 DIEDRO CC(C)c1cc([C@H]2CCC[N@H+](CC3CCC(C#N)CC3)C2)[nH]n1 ZINC000931609109 1044050248 /nfs/dbraw/zinc/05/02/48/1044050248.db2.gz ZTKKPFQUKXFLFZ-JCYILVPMSA-N 1 0 314.477 4.042 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000358338934 1044057870 /nfs/dbraw/zinc/05/78/70/1044057870.db2.gz HLNILESQLFJVMQ-RBUKOAKNSA-N 1 0 310.828 4.442 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H](C)COC)c1ccc(C(F)(F)F)cc1 ZINC000358353513 1044059746 /nfs/dbraw/zinc/05/97/46/1044059746.db2.gz OWQDMFRELCQZCD-IUODEOHRSA-N 1 0 301.352 4.337 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cncc(C(=O)OC)c1)c1ccccc1 ZINC000931694404 1044060025 /nfs/dbraw/zinc/06/00/25/1044060025.db2.gz KIWKRCKYDFZYQR-IBGZPJMESA-N 1 0 324.424 4.055 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000280896343 1044081292 /nfs/dbraw/zinc/08/12/92/1044081292.db2.gz QNYDDJOKZPIEGE-UVFQYZLESA-N 1 0 311.425 4.177 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000280943513 1044085214 /nfs/dbraw/zinc/08/52/14/1044085214.db2.gz WMTLFTUBUXBQJL-SIIHOXLZSA-N 1 0 321.486 4.049 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798935490 1044091518 /nfs/dbraw/zinc/09/15/18/1044091518.db2.gz PNBUBLMGCYWVJW-WOJBJXKFSA-N 1 0 300.490 4.233 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932199482 1044109335 /nfs/dbraw/zinc/10/93/35/1044109335.db2.gz ROUUPQOOFAKWAM-GDBMZVCRSA-N 1 0 311.454 4.030 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2Cl)c(C)c1 ZINC000562415948 1044112435 /nfs/dbraw/zinc/11/24/35/1044112435.db2.gz XNIUPAXXSRRRCJ-CYBMUJFWSA-N 1 0 314.816 4.380 20 30 DIEDRO CC[C@H]([NH2+]CC1(OC)CCC(C)CC1)c1ccc(C#N)cc1 ZINC000359029436 1044123405 /nfs/dbraw/zinc/12/34/05/1044123405.db2.gz KLTZSYVEQKHDRW-OBONGRFPSA-N 1 0 300.446 4.194 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCO[C@H]1CC(C)C)c1ccc(C#N)cc1 ZINC000562603405 1044135357 /nfs/dbraw/zinc/13/53/57/1044135357.db2.gz OBFDHJBKPSOJFZ-OTWHNJEPSA-N 1 0 300.446 4.193 20 30 DIEDRO COCC[N@H+](CCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000346778359 1044142505 /nfs/dbraw/zinc/14/25/05/1044142505.db2.gz INCRNXMWNZNUBW-CYBMUJFWSA-N 1 0 314.351 4.019 20 30 DIEDRO N#CCCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000346812993 1044144211 /nfs/dbraw/zinc/14/42/11/1044144211.db2.gz YAFHSMWEURXASU-AWEZNQCLSA-N 1 0 315.417 4.220 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000562901441 1044177714 /nfs/dbraw/zinc/17/77/14/1044177714.db2.gz SAYSCEPAOSDAPP-CYBMUJFWSA-N 1 0 318.342 4.470 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346984266 1044180831 /nfs/dbraw/zinc/18/08/31/1044180831.db2.gz CBIJBACWJWONPY-LJQANCHMSA-N 1 0 305.425 4.220 20 30 DIEDRO C#CCC1([NH2+]Cc2nnc(-c3ccccc3)s2)CCCCC1 ZINC000933265225 1044190615 /nfs/dbraw/zinc/19/06/15/1044190615.db2.gz USHTWZVHNXHVEY-UHFFFAOYSA-N 1 0 311.454 4.021 20 30 DIEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cc(Cl)cc2c1OCC2 ZINC000933276601 1044192526 /nfs/dbraw/zinc/19/25/26/1044192526.db2.gz YAEHBYFWBCHZJI-GFCCVEGCSA-N 1 0 306.837 4.255 20 30 DIEDRO Cc1nn(C(C)C)cc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612237 1044204370 /nfs/dbraw/zinc/20/43/70/1044204370.db2.gz WHLJMSIVGINLGU-UHFFFAOYSA-N 1 0 322.456 4.024 20 30 DIEDRO C[C@H](c1ccc2ccccc2c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653487 1044204491 /nfs/dbraw/zinc/20/44/91/1044204491.db2.gz UNBYCYIZYZFCRE-MRXNPFEDSA-N 1 0 321.420 4.239 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000130488848 1044205992 /nfs/dbraw/zinc/20/59/92/1044205992.db2.gz GVPGDXXMVIZHRR-OXQOHEQNSA-N 1 0 319.408 4.112 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000130601151 1044208961 /nfs/dbraw/zinc/20/89/61/1044208961.db2.gz CGIPQALFLBGLOL-SECBINFHSA-N 1 0 308.141 4.265 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000130606658 1044209623 /nfs/dbraw/zinc/20/96/23/1044209623.db2.gz GGFVQXQFUFVDDP-VIFPVBQESA-N 1 0 324.140 4.144 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000347243953 1044214130 /nfs/dbraw/zinc/21/41/30/1044214130.db2.gz CXUJLWDMVLHNHW-WMLDXEAASA-N 1 0 310.397 4.133 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796333387 1044219450 /nfs/dbraw/zinc/21/94/50/1044219450.db2.gz KOICCJWAFCUVCS-CABCVRRESA-N 1 0 309.416 4.230 20 30 DIEDRO C=CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1c(C)noc1C ZINC000883190932 1044233087 /nfs/dbraw/zinc/23/30/87/1044233087.db2.gz OKWROBCXEQEGAE-DNVCBOLYSA-N 1 0 312.457 4.390 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000883209357 1044234312 /nfs/dbraw/zinc/23/43/12/1044234312.db2.gz ANMRVARFHKJUQZ-UFYCRDLUSA-N 1 0 315.457 4.012 20 30 DIEDRO C[N@H+](Cc1ccc(C#Cc2ccccc2)s1)C1CC(F)(F)C1 ZINC001141972420 1044234671 /nfs/dbraw/zinc/23/46/71/1044234671.db2.gz KADNQZPFCNDQKG-UHFFFAOYSA-N 1 0 317.404 4.377 20 30 DIEDRO C=CCC[C@H](Cc1ccccc1)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000883208435 1044235142 /nfs/dbraw/zinc/23/51/42/1044235142.db2.gz GMULURPCEQLRDB-HXUWFJFHSA-N 1 0 321.468 4.064 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)nc1 ZINC000840747191 1044237780 /nfs/dbraw/zinc/23/77/80/1044237780.db2.gz MSMZIHAFRKKFQW-NVXWUHKLSA-N 1 0 311.816 4.033 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000848554891 1044238428 /nfs/dbraw/zinc/23/84/28/1044238428.db2.gz FYHKCFPVTIICFS-OAHLLOKOSA-N 1 0 311.256 4.161 20 30 DIEDRO C=CCCC[C@H]([NH2+]CCc1nnc(C)s1)c1ccccc1 ZINC000883223366 1044238607 /nfs/dbraw/zinc/23/86/07/1044238607.db2.gz NTZXWEPDLTZVMU-INIZCTEOSA-N 1 0 301.459 4.076 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)nc1 ZINC000840747192 1044238625 /nfs/dbraw/zinc/23/86/25/1044238625.db2.gz MSMZIHAFRKKFQW-RDJZCZTQSA-N 1 0 311.816 4.033 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)[C@H]1CCCO1 ZINC000883240988 1044240704 /nfs/dbraw/zinc/24/07/04/1044240704.db2.gz JBBFINJANLSHLX-OPQOLIRYSA-N 1 0 309.494 4.216 20 30 DIEDRO C=CCCC[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccccc1 ZINC000883244792 1044242971 /nfs/dbraw/zinc/24/29/71/1044242971.db2.gz XBGBCLYCXYNCLF-MSOLQXFVSA-N 1 0 301.430 4.017 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000934472736 1044251830 /nfs/dbraw/zinc/25/18/30/1044251830.db2.gz SPLBMIYSCKRGCW-BXUZGUMPSA-N 1 0 303.793 4.101 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000934472739 1044251962 /nfs/dbraw/zinc/25/19/62/1044251962.db2.gz SPLBMIYSCKRGCW-SMDDNHRTSA-N 1 0 303.793 4.101 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](C)CCC(C)(C)C)cc(OC)c1O ZINC000522961965 1044254138 /nfs/dbraw/zinc/25/41/38/1044254138.db2.gz PJDCDHFQUJNLPR-CQSZACIVSA-N 1 0 305.462 4.434 20 30 DIEDRO CCCN(CCC#N)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168055689 1044264375 /nfs/dbraw/zinc/26/43/75/1044264375.db2.gz XOZBHUQRAQLKGN-OPVJXMOQSA-N 1 0 313.489 4.054 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934693590 1044270438 /nfs/dbraw/zinc/27/04/38/1044270438.db2.gz SYVHVKZHCMEPKF-LJQANCHMSA-N 1 0 305.425 4.124 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccccc1 ZINC000883325069 1044274960 /nfs/dbraw/zinc/27/49/60/1044274960.db2.gz NRMGDWPRUNQLPV-KRWDZBQOSA-N 1 0 319.399 4.335 20 30 DIEDRO COc1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000883331141 1044279304 /nfs/dbraw/zinc/27/93/04/1044279304.db2.gz SUBFEKBTQYGTFJ-KDOFPFPSSA-N 1 0 322.408 4.131 20 30 DIEDRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360657860 1044295968 /nfs/dbraw/zinc/29/59/68/1044295968.db2.gz PJDVFBKVTUWOQL-KBXCAEBGSA-N 1 0 300.446 4.119 20 30 DIEDRO CSc1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000360659341 1044296073 /nfs/dbraw/zinc/29/60/73/1044296073.db2.gz YIHWOZVSWZBJLZ-GOSISDBHSA-N 1 0 323.465 4.232 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883384449 1044298013 /nfs/dbraw/zinc/29/80/13/1044298013.db2.gz RNXHOIVJDQKVTO-BQFCYCMXSA-N 1 0 315.457 4.250 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000883390674 1044302953 /nfs/dbraw/zinc/30/29/53/1044302953.db2.gz RGXWEEMBTGDSOZ-FZMZJTMJSA-N 1 0 322.499 4.158 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000883389973 1044302754 /nfs/dbraw/zinc/30/27/54/1044302754.db2.gz CIHXEDGSFUBAGY-CJNGLKHVSA-N 1 0 316.470 4.096 20 30 DIEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360842445 1044318115 /nfs/dbraw/zinc/31/81/15/1044318115.db2.gz WFTLUGCWNLFAAM-YCRPNKLZSA-N 1 0 320.436 4.252 20 30 DIEDRO C[C@]1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCO[C@H]1C1CC1 ZINC000360870290 1044320445 /nfs/dbraw/zinc/32/04/45/1044320445.db2.gz GKOMRXIXLMKEJL-PCCBWWKXSA-N 1 0 324.468 4.121 20 30 DIEDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(C#N)cc1 ZINC000360883207 1044321264 /nfs/dbraw/zinc/32/12/64/1044321264.db2.gz JHJYSOPZYQUEIE-LJQANCHMSA-N 1 0 321.399 4.462 20 30 DIEDRO COc1cnccc1[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360872744 1044321641 /nfs/dbraw/zinc/32/16/41/1044321641.db2.gz OBAQUJSMYXZDTI-LIRRHRJNSA-N 1 0 321.424 4.080 20 30 DIEDRO N#Cc1ccc(OCC[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000523011179 1044328047 /nfs/dbraw/zinc/32/80/47/1044328047.db2.gz GTUGWQHTERCNOX-GOSISDBHSA-N 1 0 310.397 4.147 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2CCC(CSC)CC2)c1 ZINC001202554998 1044338885 /nfs/dbraw/zinc/33/88/85/1044338885.db2.gz YGUYLEXNDBLDCG-UHFFFAOYSA-N 1 0 305.487 4.263 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)CC(C)(C)C ZINC000361015886 1044348080 /nfs/dbraw/zinc/34/80/80/1044348080.db2.gz DQKQLGJZTNCZTN-UHFFFAOYSA-N 1 0 318.461 4.246 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001253254866 1044351145 /nfs/dbraw/zinc/35/11/45/1044351145.db2.gz UTPNEGRFCMCLDE-CVEARBPZSA-N 1 0 303.437 4.289 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001253254874 1044351386 /nfs/dbraw/zinc/35/13/86/1044351386.db2.gz UTPNEGRFCMCLDE-HZPDHXFCSA-N 1 0 303.437 4.289 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000348249396 1044356286 /nfs/dbraw/zinc/35/62/86/1044356286.db2.gz YKXFTVCISWEHQH-SFHVURJKSA-N 1 0 311.404 4.230 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC001202587916 1044363622 /nfs/dbraw/zinc/36/36/22/1044363622.db2.gz UYSHLWTUTAOFSH-OAHLLOKOSA-N 1 0 307.384 4.004 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C)c1cc(F)ccc1F ZINC000186322524 1044371703 /nfs/dbraw/zinc/37/17/03/1044371703.db2.gz QXJRACCYAKOKPH-SFHVURJKSA-N 1 0 300.352 4.386 20 30 DIEDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C1(C)C ZINC000361235584 1044377297 /nfs/dbraw/zinc/37/72/97/1044377297.db2.gz CUSPRZKODUDCAP-FGTMMUONSA-N 1 0 300.446 4.213 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](CC)[C@@H]2CCOC(C)(C)C2)c1 ZINC000564533320 1044389585 /nfs/dbraw/zinc/38/95/85/1044389585.db2.gz TZHOPZATCQIENQ-QGZVFWFLSA-N 1 0 303.446 4.031 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000564594948 1044393248 /nfs/dbraw/zinc/39/32/48/1044393248.db2.gz OCBLBXWDQSQICU-INIZCTEOSA-N 1 0 300.358 4.027 20 30 DIEDRO Cc1ccccc1C1CC([N@H+](Cc2cc(C#N)n(C)c2)C2CC2)C1 ZINC000361546579 1044416515 /nfs/dbraw/zinc/41/65/15/1044416515.db2.gz CERQYAIARYCYLA-UHFFFAOYSA-N 1 0 319.452 4.116 20 30 DIEDRO Cc1cc(C(C)(C)[NH2+]CCCCC#N)ccc1Br ZINC000565391391 1044431366 /nfs/dbraw/zinc/43/13/66/1044431366.db2.gz QPKXKEZSVJOHQD-UHFFFAOYSA-N 1 0 309.251 4.276 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000565547344 1044440600 /nfs/dbraw/zinc/44/06/00/1044440600.db2.gz AKSOKXWQTYGYHG-LJQANCHMSA-N 1 0 308.425 4.074 20 30 DIEDRO C=CCCCCCCC[NH2+]Cc1cncc(Br)c1 ZINC001202668881 1044455199 /nfs/dbraw/zinc/45/51/99/1044455199.db2.gz XYWRNUKMOSEAOY-UHFFFAOYSA-N 1 0 311.267 4.460 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000565960980 1044467218 /nfs/dbraw/zinc/46/72/18/1044467218.db2.gz HZJMRKLUFIYTTA-FQEVSTJZSA-N 1 0 301.393 4.207 20 30 DIEDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000566396588 1044490065 /nfs/dbraw/zinc/49/00/65/1044490065.db2.gz LAAXZXUVDKIKFG-UZLBHIALSA-N 1 0 320.436 4.225 20 30 DIEDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000323903568 1044507854 /nfs/dbraw/zinc/50/78/54/1044507854.db2.gz ZJJBFKDWNQBKFW-DYESRHJHSA-N 1 0 321.468 4.292 20 30 DIEDRO CC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000295471377 1044531036 /nfs/dbraw/zinc/53/10/36/1044531036.db2.gz IRADBQCLHXRCKH-UHFFFAOYSA-N 1 0 306.409 4.171 20 30 DIEDRO C[C@@H](NCc1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000614800123 1044537641 /nfs/dbraw/zinc/53/76/41/1044537641.db2.gz GPFHTHDSLBKBQX-SNVBAGLBSA-N 1 0 306.196 4.111 20 30 DIEDRO CO[C@H](C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000567243405 1044552595 /nfs/dbraw/zinc/55/25/95/1044552595.db2.gz LWXMRRFTGQJNBJ-PWRODBHTSA-N 1 0 320.436 4.146 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccco1 ZINC000567258137 1044553787 /nfs/dbraw/zinc/55/37/87/1044553787.db2.gz QAFSTSQJGZYUHP-MOPGFXCFSA-N 1 0 310.441 4.151 20 30 DIEDRO CC[C@H](C)c1ccc([C@@H]([NH2+]CCOCCC#N)C(C)C)cc1 ZINC000567357955 1044561653 /nfs/dbraw/zinc/56/16/53/1044561653.db2.gz OSEHDMZRLUEPOO-LPHOPBHVSA-N 1 0 302.462 4.417 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2nc(Cl)ccc21)c1ccc(C#N)cc1 ZINC000295861798 1044568450 /nfs/dbraw/zinc/56/84/50/1044568450.db2.gz GPZZBWDBPLYHKW-WBMJQRKESA-N 1 0 311.816 4.335 20 30 DIEDRO CC(C)(C#N)CCCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000444597378 1044578263 /nfs/dbraw/zinc/57/82/63/1044578263.db2.gz OWUGHRAEHPGMMG-UHFFFAOYSA-N 1 0 319.537 4.294 20 30 DIEDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137898478 1044589231 /nfs/dbraw/zinc/58/92/31/1044589231.db2.gz WBGCEDDNZRUIHT-MRXNPFEDSA-N 1 0 305.425 4.310 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000444688118 1044591400 /nfs/dbraw/zinc/59/14/00/1044591400.db2.gz XKXMMGVXBOPTEU-UHFFFAOYSA-N 1 0 316.493 4.095 20 30 DIEDRO CC[C@](C)(O)C[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444685850 1044592524 /nfs/dbraw/zinc/59/25/24/1044592524.db2.gz QCQJCTMYFXSWRA-FQEVSTJZSA-N 1 0 316.489 4.370 20 30 DIEDRO C=CCC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000567958376 1044593431 /nfs/dbraw/zinc/59/34/31/1044593431.db2.gz JNFHKRNFRCYUDY-UHFFFAOYSA-N 1 0 304.846 4.398 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000568003472 1044596442 /nfs/dbraw/zinc/59/64/42/1044596442.db2.gz LLBNFXXKNXIHIB-WOJBJXKFSA-N 1 0 313.416 4.026 20 30 DIEDRO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCC[C@H]1C ZINC000444673708 1044596985 /nfs/dbraw/zinc/59/69/85/1044596985.db2.gz ITNKBLVSOPQTDN-RHSMWYFYSA-N 1 0 324.428 4.009 20 30 DIEDRO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCC[C@@H]1C ZINC000444673710 1044597314 /nfs/dbraw/zinc/59/73/14/1044597314.db2.gz ITNKBLVSOPQTDN-WMLDXEAASA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CCCCC(C)(C)C#N ZINC000444681584 1044601742 /nfs/dbraw/zinc/60/17/42/1044601742.db2.gz VKWAMHVRMKQUAF-SJLPKXTDSA-N 1 0 300.446 4.168 20 30 DIEDRO C=CCc1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)c(O)c(OC)c1 ZINC000218803185 1044626945 /nfs/dbraw/zinc/62/69/45/1044626945.db2.gz DTGBDXGCCCRGNV-LJQANCHMSA-N 1 0 323.436 4.249 20 30 DIEDRO COc1cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)ccc1C#N ZINC000568450996 1044628019 /nfs/dbraw/zinc/62/80/19/1044628019.db2.gz BLXZMACBLIWELK-IBGZPJMESA-N 1 0 306.409 4.198 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1C#N ZINC000886279022 1044628172 /nfs/dbraw/zinc/62/81/72/1044628172.db2.gz OCLGEWSPJHQNCA-LRDDRELGSA-N 1 0 312.438 4.286 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001137899919 1044628926 /nfs/dbraw/zinc/62/89/26/1044628926.db2.gz KMNYWFNYIZRSCE-INIZCTEOSA-N 1 0 305.425 4.168 20 30 DIEDRO N#CC1(C[C@H](O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CCC1 ZINC000886241365 1044629394 /nfs/dbraw/zinc/62/93/94/1044629394.db2.gz WNKXDAYCXXAFNC-RBUKOAKNSA-N 1 0 324.468 4.049 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2nnc(-c3ccccc3)o2)CCCC1(C)C ZINC000444788874 1044630310 /nfs/dbraw/zinc/63/03/10/1044630310.db2.gz YJIRGXTVUJLDEX-MRXNPFEDSA-N 1 0 311.429 4.303 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886318456 1044631141 /nfs/dbraw/zinc/63/11/41/1044631141.db2.gz TVZKAZVIPYHFDL-QGZVFWFLSA-N 1 0 311.385 4.177 20 30 DIEDRO N#CCCCC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000067399299 1044644740 /nfs/dbraw/zinc/64/47/40/1044644740.db2.gz CKPFAWNAURAZNC-UHFFFAOYSA-N 1 0 322.452 4.154 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000568806357 1044653224 /nfs/dbraw/zinc/65/32/24/1044653224.db2.gz GIUQBEPLAAHRDE-KRWDZBQOSA-N 1 0 318.342 4.069 20 30 DIEDRO N#CCc1ccc(C[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000569102201 1044676257 /nfs/dbraw/zinc/67/62/57/1044676257.db2.gz MDGLLGXTEFFOPG-UHFFFAOYSA-N 1 0 312.457 4.113 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCCNc3ccccc32)cc1C#N ZINC000886689523 1044681835 /nfs/dbraw/zinc/68/18/35/1044681835.db2.gz BNJSJGRNURMKLW-GOSISDBHSA-N 1 0 323.465 4.317 20 30 DIEDRO N#CCSCCC[NH+](Cc1cccs1)Cc1cccs1 ZINC000074980406 1044687418 /nfs/dbraw/zinc/68/74/18/1044687418.db2.gz ADKRALGXXFCYBX-UHFFFAOYSA-N 1 0 322.524 4.459 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075863811 1044691110 /nfs/dbraw/zinc/69/11/10/1044691110.db2.gz DOMAUGUTZBRZQM-PXNSSMCTSA-N 1 0 320.436 4.158 20 30 DIEDRO C[N@H+](CCC1CCCCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075682240 1044691184 /nfs/dbraw/zinc/69/11/84/1044691184.db2.gz WLPXFSGGFMZZFL-UHFFFAOYSA-N 1 0 324.428 4.010 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000886773772 1044695048 /nfs/dbraw/zinc/69/50/48/1044695048.db2.gz AQFVYPUCVHNYOS-MOPGFXCFSA-N 1 0 312.457 4.338 20 30 DIEDRO C[C@H]([NH2+]CCOC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569638056 1044701767 /nfs/dbraw/zinc/70/17/67/1044701767.db2.gz HDUPSDINEPZRDY-INIZCTEOSA-N 1 0 320.436 4.445 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000523939971 1044705793 /nfs/dbraw/zinc/70/57/93/1044705793.db2.gz NHWSIAMLMXYXIG-GFCCVEGCSA-N 1 0 302.399 4.378 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000569698359 1044706556 /nfs/dbraw/zinc/70/65/56/1044706556.db2.gz MTUNQUBHMKBXAD-QGPMSJSTSA-N 1 0 315.848 4.399 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc2ccccc21 ZINC000886920729 1044719490 /nfs/dbraw/zinc/71/94/90/1044719490.db2.gz IDYBEIXDQLZABI-APWZRJJASA-N 1 0 310.441 4.181 20 30 DIEDRO N#C[C@H]1CC[C@H]([N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000569933920 1044721045 /nfs/dbraw/zinc/72/10/45/1044721045.db2.gz WKFHSGJFDDFXHK-ZFWWWQNUSA-N 1 0 320.358 4.487 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000367002745 1044728948 /nfs/dbraw/zinc/72/89/48/1044728948.db2.gz BSUHBOXKPBFRDW-WDSOQIARSA-N 1 0 320.436 4.322 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000367034910 1044729208 /nfs/dbraw/zinc/72/92/08/1044729208.db2.gz FIGKENGXZZWLII-CSODTCANSA-N 1 0 311.473 4.336 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000570302022 1044747257 /nfs/dbraw/zinc/74/72/57/1044747257.db2.gz HBDAODKVUKYIDX-JLTOFOAXSA-N 1 0 308.400 4.296 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1ccco1 ZINC000367738003 1044754176 /nfs/dbraw/zinc/75/41/76/1044754176.db2.gz QVHUJXZBNFPABR-IRXDYDNUSA-N 1 0 313.445 4.211 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccco1 ZINC000570470774 1044760045 /nfs/dbraw/zinc/76/00/45/1044760045.db2.gz VRHPOAOFUDMIOI-CVEARBPZSA-N 1 0 315.413 4.353 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000475633561 1044795508 /nfs/dbraw/zinc/79/55/08/1044795508.db2.gz GTOKOXZLODFXKF-QMTHXVAHSA-N 1 0 321.770 4.337 20 30 DIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)C1CCC(F)(F)CC1 ZINC000571483853 1044817942 /nfs/dbraw/zinc/81/79/42/1044817942.db2.gz RETZTOBLNQEICE-UHFFFAOYSA-N 1 0 322.399 4.379 20 30 DIEDRO C=CCCCC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000571750749 1044822633 /nfs/dbraw/zinc/82/26/33/1044822633.db2.gz OMPFQCVJLYEJDJ-OAHLLOKOSA-N 1 0 309.251 4.241 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CC(C)(C)Oc1ccccc1 ZINC000524460075 1044842248 /nfs/dbraw/zinc/84/22/48/1044842248.db2.gz WPTLAFFTQFDMMO-UHFFFAOYSA-N 1 0 311.425 4.199 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000445882594 1044843237 /nfs/dbraw/zinc/84/32/37/1044843237.db2.gz BRMPWBUQHNKYHN-AWEZNQCLSA-N 1 0 303.755 4.258 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccco1 ZINC000370730359 1044852006 /nfs/dbraw/zinc/85/20/06/1044852006.db2.gz NKGDUFNBYZCAQQ-GPANFISMSA-N 1 0 315.417 4.294 20 30 DIEDRO Cc1ccccc1C[N@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000337144896 1044870781 /nfs/dbraw/zinc/87/07/81/1044870781.db2.gz XAWWCAUSPCMUIM-UHFFFAOYSA-N 1 0 312.457 4.060 20 30 DIEDRO N#CC1(CCC[N@H+](C2CC2)[C@H]2CCc3ccccc32)CCOCC1 ZINC000337157645 1044871003 /nfs/dbraw/zinc/87/10/03/1044871003.db2.gz QABBNZMCCRNSSQ-FQEVSTJZSA-N 1 0 324.468 4.239 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000371392982 1044874130 /nfs/dbraw/zinc/87/41/30/1044874130.db2.gz WSJQUVMKBLJXDJ-KBPBESRZSA-N 1 0 312.438 4.158 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1cc(Cl)ccc1F ZINC000337220267 1044876194 /nfs/dbraw/zinc/87/61/94/1044876194.db2.gz BWGJTWVWBUROSA-UHFFFAOYSA-N 1 0 324.827 4.011 20 30 DIEDRO C=CCCC[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@@H]21 ZINC001168086474 1044903851 /nfs/dbraw/zinc/90/38/51/1044903851.db2.gz QMBDUTLZFISHAJ-GFEQUFNTSA-N 1 0 320.521 4.137 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000524751164 1044912199 /nfs/dbraw/zinc/91/21/99/1044912199.db2.gz VGLURLFGPIVVMF-SFHVURJKSA-N 1 0 308.450 4.172 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCc1cccc(C)n1)c1ccc(F)c(F)c1 ZINC000573840153 1044924827 /nfs/dbraw/zinc/92/48/27/1044924827.db2.gz NBIHFEXPPWCQCL-SFHVURJKSA-N 1 0 302.368 4.118 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1ccc(C#N)cc1 ZINC000373209464 1044951778 /nfs/dbraw/zinc/95/17/78/1044951778.db2.gz WFYFONLPIFYMIH-WBVHZDCISA-N 1 0 311.454 4.442 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1F ZINC000574453377 1044954471 /nfs/dbraw/zinc/95/44/71/1044954471.db2.gz VXZCEILEBDWDQV-ZDUSSCGKSA-N 1 0 314.429 4.464 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000574684207 1044967753 /nfs/dbraw/zinc/96/77/53/1044967753.db2.gz IBENDMPJPXIUCD-CXAGYDPISA-N 1 0 301.821 4.214 20 30 DIEDRO N#CC1(CC[NH+]2CCC(C(=O)c3ccccc3)CC2)CCCCC1 ZINC000411132673 1044979205 /nfs/dbraw/zinc/97/92/05/1044979205.db2.gz LBMKNWHDJUXNBK-UHFFFAOYSA-N 1 0 324.468 4.445 20 30 DIEDRO CC(C)CCOC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411174269 1044981019 /nfs/dbraw/zinc/98/10/19/1044981019.db2.gz OSFLIRAUSBOJKM-UHFFFAOYSA-N 1 0 306.494 4.378 20 30 DIEDRO N#CC1(CC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)CCCCC1 ZINC000411182659 1044981221 /nfs/dbraw/zinc/98/12/21/1044981221.db2.gz HMFGCNKBAMACDY-GOSISDBHSA-N 1 0 316.445 4.125 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1sccc1Br ZINC000575349081 1044996901 /nfs/dbraw/zinc/99/69/01/1044996901.db2.gz YGYOEWSMIJPSGA-VIFPVBQESA-N 1 0 301.253 4.101 20 30 DIEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000411401880 1045004939 /nfs/dbraw/zinc/00/49/39/1045004939.db2.gz OAGFTAFQXULLLM-CABCVRRESA-N 1 0 306.837 4.123 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CCC2(C#N)CCCCC2)cc1F ZINC000411449573 1045008509 /nfs/dbraw/zinc/00/85/09/1045008509.db2.gz DFOFCAJNHZTAQE-CQSZACIVSA-N 1 0 304.409 4.349 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)CCC#N)c1cc(F)cc(Br)c1 ZINC000411563298 1045018733 /nfs/dbraw/zinc/01/87/33/1045018733.db2.gz QRHZUNSOMDTJOW-QMTHXVAHSA-N 1 0 313.214 4.321 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H](CO)C(C)(C)C ZINC000441081786 1045020783 /nfs/dbraw/zinc/02/07/83/1045020783.db2.gz WZFZDLOSHAPRFW-HXUWFJFHSA-N 1 0 322.452 4.064 20 30 DIEDRO N#CC1(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCCCC1 ZINC000411659708 1045024325 /nfs/dbraw/zinc/02/43/25/1045024325.db2.gz HMRWPAWZNWBPPT-OTWHNJEPSA-N 1 0 318.505 4.256 20 30 DIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@H]1OCCc2sccc21 ZINC000411754311 1045027827 /nfs/dbraw/zinc/02/78/27/1045027827.db2.gz DWSZMPNNLFEJTA-RHSMWYFYSA-N 1 0 318.486 4.204 20 30 DIEDRO N#CC1(CC[NH2+][C@H](CCO)c2ccc(Cl)cc2)CCCCC1 ZINC000411734417 1045028171 /nfs/dbraw/zinc/02/81/71/1045028171.db2.gz BBINUASMDBSPGS-QGZVFWFLSA-N 1 0 320.864 4.217 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000446764672 1045032608 /nfs/dbraw/zinc/03/26/08/1045032608.db2.gz KCJAAJTWWNGWIP-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO CC(C)(C#N)CCCN1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000374173776 1045032672 /nfs/dbraw/zinc/03/26/72/1045032672.db2.gz NXLZGCZQFFTADS-UHFFFAOYSA-N 1 0 313.420 4.385 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)Cc1csc2ccccc12 ZINC000446764712 1045034416 /nfs/dbraw/zinc/03/44/16/1045034416.db2.gz KNSHFDWYPPEPFR-UHFFFAOYSA-N 1 0 322.433 4.414 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412000266 1045045336 /nfs/dbraw/zinc/04/53/36/1045045336.db2.gz NUYHGZDZYVNXMO-SFHVURJKSA-N 1 0 312.457 4.170 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC3(CCCCC3)C1)CC2 ZINC000576263262 1045046840 /nfs/dbraw/zinc/04/68/40/1045046840.db2.gz ZYTHRHMNVXYNJB-MJGOQNOKSA-N 1 0 310.441 4.017 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2nc(C3CC3)cs2)c1 ZINC000153229493 1045053524 /nfs/dbraw/zinc/05/35/24/1045053524.db2.gz UUKBESFTAIVBBH-UHFFFAOYSA-N 1 0 314.458 4.071 20 30 DIEDRO C=C(C)COc1cc(C[N@@H+]2CCCC23CCC3)ccc1OC ZINC000446844625 1045055980 /nfs/dbraw/zinc/05/59/80/1045055980.db2.gz IHPDQINDAKCFKT-UHFFFAOYSA-N 1 0 301.430 4.169 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000153422089 1045057491 /nfs/dbraw/zinc/05/74/91/1045057491.db2.gz SXYUHUOLZWKKLT-CQSZACIVSA-N 1 0 324.399 4.337 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000153422006 1045058047 /nfs/dbraw/zinc/05/80/47/1045058047.db2.gz SXYUHUOLZWKKLT-AWEZNQCLSA-N 1 0 324.399 4.337 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Oc2cccc(F)c2)C1 ZINC000576693887 1045073434 /nfs/dbraw/zinc/07/34/34/1045073434.db2.gz LSIPAKIZTCCJRX-WMLDXEAASA-N 1 0 310.372 4.400 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000576795627 1045083485 /nfs/dbraw/zinc/08/34/85/1045083485.db2.gz RHXXFMKLCZDRJY-MRXNPFEDSA-N 1 0 320.358 4.342 20 30 DIEDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000576990925 1045092672 /nfs/dbraw/zinc/09/26/72/1045092672.db2.gz SNSSMUQIPKNLHO-KKSFZXQISA-N 1 0 320.436 4.131 20 30 DIEDRO CC[N@H+](CCc1ccc2c(c1)CCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000441222088 1045107921 /nfs/dbraw/zinc/10/79/21/1045107921.db2.gz ASRLVOCNIZIAPI-MRXNPFEDSA-N 1 0 320.436 4.119 20 30 DIEDRO CC[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(C#N)cc1 ZINC000577347029 1045119799 /nfs/dbraw/zinc/11/97/99/1045119799.db2.gz UAEHDOXMJJSWBD-LJQANCHMSA-N 1 0 321.399 4.462 20 30 DIEDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnn([C@H](C)C#N)c2)cc1 ZINC000600773858 1045137635 /nfs/dbraw/zinc/13/76/35/1045137635.db2.gz DZRBMCARZVMKAV-BEFAXECRSA-N 1 0 308.429 4.009 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccc(C#N)cc1 ZINC000447525722 1045138045 /nfs/dbraw/zinc/13/80/45/1045138045.db2.gz BDYSLBIHMMJGFW-MAUKXSAKSA-N 1 0 324.424 4.075 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCCOc2ccc(Cl)cc2)C1 ZINC000447535273 1045141499 /nfs/dbraw/zinc/14/14/99/1045141499.db2.gz DYXSQISJHVVOGP-GDBMZVCRSA-N 1 0 306.837 4.171 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc(C#N)cc1 ZINC000447535253 1045141880 /nfs/dbraw/zinc/14/18/80/1045141880.db2.gz DTCZJIHNFUWQCA-MJGOQNOKSA-N 1 0 306.409 4.165 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1OC(C)C ZINC000447545627 1045142907 /nfs/dbraw/zinc/14/29/07/1045142907.db2.gz RZPJYJXCJPNUGU-ZMSDIMECSA-N 1 0 316.445 4.215 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447538531 1045143444 /nfs/dbraw/zinc/14/34/44/1045143444.db2.gz CIKKBEVTZIGYPB-QRWLVFNGSA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@H]([NH2+]CCOC1CCCCCC1)c1ccc(C#N)cc1 ZINC000447544534 1045143556 /nfs/dbraw/zinc/14/35/56/1045143556.db2.gz VWSBXHLTKWOBFD-IBGZPJMESA-N 1 0 300.446 4.338 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2OC)c1ccc(C#N)cc1 ZINC000447573140 1045147476 /nfs/dbraw/zinc/14/74/76/1045147476.db2.gz GCSXSJWVMQZVPK-RTBURBONSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1F)c1ccc(C#N)cc1 ZINC000447564008 1045151618 /nfs/dbraw/zinc/15/16/18/1045151618.db2.gz UCGSUVQTHWRJHS-RDTXWAMCSA-N 1 0 312.388 4.206 20 30 DIEDRO CC[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1 ZINC000447590602 1045154759 /nfs/dbraw/zinc/15/47/59/1045154759.db2.gz DTFYKNWCNOJMBU-KRWDZBQOSA-N 1 0 318.342 4.259 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](OC)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447589394 1045155063 /nfs/dbraw/zinc/15/50/63/1045155063.db2.gz XRHVGIHFCHLEPI-RTBURBONSA-N 1 0 312.388 4.126 20 30 DIEDRO N#C[C@@H]1CCC[C@H](Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000447575131 1045156622 /nfs/dbraw/zinc/15/66/22/1045156622.db2.gz QNRJCLRAHOCIDB-QUCCMNQESA-N 1 0 311.473 4.209 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000447602539 1045160320 /nfs/dbraw/zinc/16/03/20/1045160320.db2.gz SRNAHSMAAGNJKJ-NJDAHSKKSA-N 1 0 320.436 4.377 20 30 DIEDRO CC[C@H]([NH2+]CCCNc1ccccc1F)c1ccc(C#N)cc1 ZINC000447603930 1045160556 /nfs/dbraw/zinc/16/05/56/1045160556.db2.gz ZKPFCWALDURHLH-SFHVURJKSA-N 1 0 311.404 4.240 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1 ZINC000447602933 1045160944 /nfs/dbraw/zinc/16/09/44/1045160944.db2.gz WGIXZFKJFWNIDE-RTBURBONSA-N 1 0 312.457 4.481 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000577789149 1045171002 /nfs/dbraw/zinc/17/10/02/1045171002.db2.gz HZKYDQOWUMTIRG-DLBZAZTESA-N 1 0 311.454 4.173 20 30 DIEDRO Fc1ccc(C(F)(F)F)cc1C[NH2+]C1CC(C(F)(F)F)C1 ZINC000577894608 1045186703 /nfs/dbraw/zinc/18/67/03/1045186703.db2.gz STSSZLJMAIZZFB-UHFFFAOYSA-N 1 0 315.232 4.275 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000924673771 1045189230 /nfs/dbraw/zinc/18/92/30/1045189230.db2.gz XEUJSNHMQMGDKZ-INIZCTEOSA-N 1 0 323.440 4.079 20 30 DIEDRO N#CC1(c2ccc(CN[C@H](CF)c3ccc(F)cc3)cc2)CC1 ZINC000601165907 1045195332 /nfs/dbraw/zinc/19/53/32/1045195332.db2.gz BWENDLSITXDKIR-GOSISDBHSA-N 1 0 312.363 4.181 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000601173617 1045197185 /nfs/dbraw/zinc/19/71/85/1045197185.db2.gz DUCBBVZMPLUJSU-UHFFFAOYSA-N 1 0 319.408 4.140 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1ccc(C#N)cc1 ZINC000924787677 1045197896 /nfs/dbraw/zinc/19/78/96/1045197896.db2.gz XTRXYAKIHREXDR-PXAZEXFGSA-N 1 0 311.816 4.335 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)c1ccc(C#N)cc1 ZINC000221119041 1045199298 /nfs/dbraw/zinc/19/92/98/1045199298.db2.gz FPFSUEOUEDHSRP-SNVBAGLBSA-N 1 0 306.196 4.111 20 30 DIEDRO Cn1cc([C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C(C)(C)C)cn1 ZINC000557586039 1045203350 /nfs/dbraw/zinc/20/33/50/1045203350.db2.gz YDBHHTHHCPXONE-GOSISDBHSA-N 1 0 324.472 4.098 20 30 DIEDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000601282028 1045209858 /nfs/dbraw/zinc/20/98/58/1045209858.db2.gz YQEADVMWFMRMFW-NHCUHLMSSA-N 1 0 318.420 4.221 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(OC)c1OC ZINC000601283357 1045210546 /nfs/dbraw/zinc/21/05/46/1045210546.db2.gz WYWHWIGHWJDIPW-SFHVURJKSA-N 1 0 324.424 4.011 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccccc1 ZINC000448132861 1045212021 /nfs/dbraw/zinc/21/20/21/1045212021.db2.gz QSVXXHNUZQOTTF-LJQANCHMSA-N 1 0 308.425 4.312 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000601286038 1045212172 /nfs/dbraw/zinc/21/21/72/1045212172.db2.gz VQDRFTXWGXCSHT-NJYVYQBISA-N 1 0 318.420 4.055 20 30 DIEDRO N#CCCCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000924943095 1045212746 /nfs/dbraw/zinc/21/27/46/1045212746.db2.gz SGIVCVLLFMISDQ-LJQANCHMSA-N 1 0 305.381 4.201 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)c1 ZINC000448160319 1045213470 /nfs/dbraw/zinc/21/34/70/1045213470.db2.gz QOLXTEYIEVMVNA-HXUWFJFHSA-N 1 0 309.384 4.023 20 30 DIEDRO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N)cc1 ZINC000924939488 1045213475 /nfs/dbraw/zinc/21/34/75/1045213475.db2.gz SWUPIRVBIWRBPI-HUUCEWRRSA-N 1 0 320.502 4.404 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccncc1 ZINC000925073089 1045221927 /nfs/dbraw/zinc/22/19/27/1045221927.db2.gz AAEXLBYCCQDMRI-HNAYVOBHSA-N 1 0 310.441 4.277 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000578492367 1045248597 /nfs/dbraw/zinc/24/85/97/1045248597.db2.gz KGDNVYUGQLJRIC-CABCVRRESA-N 1 0 305.462 4.278 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)CC1 ZINC000527750270 1045259576 /nfs/dbraw/zinc/25/95/76/1045259576.db2.gz VDABESJCHIFGFV-IUOJZYCRSA-N 1 0 300.833 4.040 20 30 DIEDRO CCCOCc1ccccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000578940962 1045282933 /nfs/dbraw/zinc/28/29/33/1045282933.db2.gz OKWRUHUNMNUORH-OAQYLSRUSA-N 1 0 320.436 4.262 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@@H]3Cc4cc(Cl)ccc4[C@@H]31)CC2 ZINC000527942644 1045283785 /nfs/dbraw/zinc/28/37/85/1045283785.db2.gz LMNPRYGWQGGYSY-YSTOQKLRSA-N 1 0 320.823 4.127 20 30 DIEDRO COCCC1CC[NH+]([C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000527931536 1045285693 /nfs/dbraw/zinc/28/56/93/1045285693.db2.gz BNFQIYQXBJEJKM-FQEVSTJZSA-N 1 0 312.457 4.074 20 30 DIEDRO C=CCCC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000579086535 1045293510 /nfs/dbraw/zinc/29/35/10/1045293510.db2.gz RPZVQDQYFCTAMJ-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000216168130 1045301948 /nfs/dbraw/zinc/30/19/48/1045301948.db2.gz FLEUYLYAVBEBJU-NSHDSACASA-N 1 0 315.244 4.218 20 30 DIEDRO CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000579303002 1045306692 /nfs/dbraw/zinc/30/66/92/1045306692.db2.gz UESLVXYZGMFAGR-CYBMUJFWSA-N 1 0 323.362 4.016 20 30 DIEDRO C#CCOc1cccc(Cl)c1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000779147752 1045321051 /nfs/dbraw/zinc/32/10/51/1045321051.db2.gz AAEHABOAFZEGLH-QGZVFWFLSA-N 1 0 314.816 4.017 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CC(C(F)(F)F)C2)cc1Cl ZINC000579638648 1045327380 /nfs/dbraw/zinc/32/73/80/1045327380.db2.gz CTXBUFSRSAWHSA-UHFFFAOYSA-N 1 0 319.754 4.335 20 30 DIEDRO CN(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1Cl ZINC000449065160 1045339036 /nfs/dbraw/zinc/33/90/36/1045339036.db2.gz RYKWSGILHXOKIR-ZCDVPAHGSA-N 1 0 319.880 4.005 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000075778808 1045339424 /nfs/dbraw/zinc/33/94/24/1045339424.db2.gz VXQZNGFIOXYNKN-MRXNPFEDSA-N 1 0 316.351 4.401 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000449056452 1045342183 /nfs/dbraw/zinc/34/21/83/1045342183.db2.gz PNZMLORXZPVZCD-CRAIPNDOSA-N 1 0 315.436 4.373 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000449069983 1045342957 /nfs/dbraw/zinc/34/29/57/1045342957.db2.gz ZDECFHVCDKGLOQ-KRWDZBQOSA-N 1 0 314.473 4.016 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000449070291 1045343211 /nfs/dbraw/zinc/34/32/11/1045343211.db2.gz JNRMAAOLIMEPOW-VXKCQOAXSA-N 1 0 304.434 4.425 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1OC ZINC000449079889 1045345525 /nfs/dbraw/zinc/34/55/25/1045345525.db2.gz QVDLJDMQLFKSGT-TZGCNFNXSA-N 1 0 316.445 4.135 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(Sc3ccccc3)CC2)CC1 ZINC000449128058 1045349919 /nfs/dbraw/zinc/34/99/19/1045349919.db2.gz XOQGANZOBWPPNX-UHFFFAOYSA-N 1 0 300.471 4.373 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449124066 1045350230 /nfs/dbraw/zinc/35/02/30/1045350230.db2.gz PLOAADGLXWLOOR-APWZRJJASA-N 1 0 318.892 4.216 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(c3cccc(Cl)c3)CC2)CC1 ZINC000449153349 1045352232 /nfs/dbraw/zinc/35/22/32/1045352232.db2.gz DGCPZZNZWARQHM-UHFFFAOYSA-N 1 0 302.849 4.434 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000449144866 1045352450 /nfs/dbraw/zinc/35/24/50/1045352450.db2.gz VAGKEWMCHRJTJR-MRXNPFEDSA-N 1 0 301.478 4.083 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(c2ccc(C)cn2)CC1 ZINC000449161795 1045355885 /nfs/dbraw/zinc/35/58/85/1045355885.db2.gz GXOZWCLGOMVZDX-KRWDZBQOSA-N 1 0 301.478 4.083 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000449205764 1045361505 /nfs/dbraw/zinc/36/15/05/1045361505.db2.gz MALLTZMLZFKWKF-SYYJFZTOSA-N 1 0 323.415 4.372 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cnn(Cc2ccccc2)c1 ZINC000449215156 1045363721 /nfs/dbraw/zinc/36/37/21/1045363721.db2.gz ZWYBGGPGOVAVJJ-DZIBYMRMSA-N 1 0 322.456 4.054 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000449283272 1045371296 /nfs/dbraw/zinc/37/12/96/1045371296.db2.gz KZMNAXDMMIPWIG-CRAIPNDOSA-N 1 0 313.445 4.386 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccnc1C(F)(F)F ZINC000528526837 1045372327 /nfs/dbraw/zinc/37/23/27/1045372327.db2.gz PHEGSMXWQHIUCV-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccnc1C(F)(F)F ZINC000528526831 1045372462 /nfs/dbraw/zinc/37/24/62/1045372462.db2.gz PHEGSMXWQHIUCV-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000779213488 1045372673 /nfs/dbraw/zinc/37/26/73/1045372673.db2.gz KFLKUFKOHPZPPI-QXPKXGMISA-N 1 0 317.477 4.011 20 30 DIEDRO Clc1ccc(C#CC[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000528659437 1045392940 /nfs/dbraw/zinc/39/29/40/1045392940.db2.gz PLDODSZVMPLWGK-IBGZPJMESA-N 1 0 310.828 4.218 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000449446540 1045393661 /nfs/dbraw/zinc/39/36/61/1045393661.db2.gz QZFXOCATOMABKR-PXNSSMCTSA-N 1 0 320.436 4.438 20 30 DIEDRO CC1(C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H]1OCc1ccccc1 ZINC000449447203 1045394546 /nfs/dbraw/zinc/39/45/46/1045394546.db2.gz WVRMWHJVHKTILT-KANFNMMFSA-N 1 0 312.457 4.042 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000449447321 1045394887 /nfs/dbraw/zinc/39/48/87/1045394887.db2.gz YBIJWGLCZUNQPL-PXNSSMCTSA-N 1 0 320.436 4.438 20 30 DIEDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2C)cc1F ZINC000528679978 1045396213 /nfs/dbraw/zinc/39/62/13/1045396213.db2.gz QHJLEBDRMZUKSU-UHFFFAOYSA-N 1 0 312.388 4.039 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000449477522 1045398629 /nfs/dbraw/zinc/39/86/29/1045398629.db2.gz PFKIMSNMBGHURF-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000449546612 1045408631 /nfs/dbraw/zinc/40/86/31/1045408631.db2.gz COMMRYRQXDLAQX-MOPGFXCFSA-N 1 0 324.424 4.006 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)ccc1C#N ZINC000449581541 1045416645 /nfs/dbraw/zinc/41/66/45/1045416645.db2.gz ATOOZDOTGUAXAF-HNNXBMFYSA-N 1 0 316.326 4.061 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449582413 1045416800 /nfs/dbraw/zinc/41/68/00/1045416800.db2.gz GBFVOTVHLOSKEP-OFKYTCTHSA-N 1 0 308.347 4.153 20 30 DIEDRO C=CCC1([NH2+]Cc2cnc3c(cnn3C(C)C)c2)CCCCC1 ZINC000449578221 1045416902 /nfs/dbraw/zinc/41/69/02/1045416902.db2.gz ZXJRHVOZNXKLCR-UHFFFAOYSA-N 1 0 312.461 4.381 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2cccc(CC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449699377 1045428022 /nfs/dbraw/zinc/42/80/22/1045428022.db2.gz OUORGTHWFSAIQG-UTKZUKDTSA-N 1 0 319.452 4.218 20 30 DIEDRO C[C@H]1C[C@@H](Nc2cccc(CC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449699379 1045428155 /nfs/dbraw/zinc/42/81/55/1045428155.db2.gz OUORGTHWFSAIQG-UWJYYQICSA-N 1 0 319.452 4.218 20 30 DIEDRO N#CC1(CN2CCc3sccc3[C@H]2c2cccs2)CCC1 ZINC000450214062 1045476513 /nfs/dbraw/zinc/47/65/13/1045476513.db2.gz XKAMHHDLRCNBLG-INIZCTEOSA-N 1 0 314.479 4.451 20 30 DIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(F)(F)C1 ZINC000450298154 1045484114 /nfs/dbraw/zinc/48/41/14/1045484114.db2.gz LLMRRPMOCJRWFO-CQSZACIVSA-N 1 0 310.344 4.018 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccc3cc[nH]c3c2)C2CC2)cc1 ZINC000529522538 1045490540 /nfs/dbraw/zinc/49/05/40/1045490540.db2.gz GOIQTWAAXBJSKD-UHFFFAOYSA-N 1 0 301.393 4.204 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450455154 1045508211 /nfs/dbraw/zinc/50/82/11/1045508211.db2.gz UCZBIDCOKASTTD-UAGQMJEPSA-N 1 0 304.384 4.194 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450455151 1045508417 /nfs/dbraw/zinc/50/84/17/1045508417.db2.gz UCZBIDCOKASTTD-DJIMGWMZSA-N 1 0 304.384 4.194 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1Cl ZINC000585726485 1045534019 /nfs/dbraw/zinc/53/40/19/1045534019.db2.gz JHKWTFIIWAOSGA-QGZVFWFLSA-N 1 0 312.800 4.084 20 30 DIEDRO CC(C)[Si](C#C[NH2+]CC1(F)CCOCC1)(C(C)C)C(C)C ZINC001168123614 1045534563 /nfs/dbraw/zinc/53/45/63/1045534563.db2.gz JYSJSIDWWCWNSR-UHFFFAOYSA-N 1 0 313.533 4.274 20 30 DIEDRO CC[NH+](CC)Cc1ccc(NCc2ccc(OC)c(C#N)c2)cc1 ZINC000190381360 1045540350 /nfs/dbraw/zinc/54/03/50/1045540350.db2.gz LETNDNIWMBYHJV-UHFFFAOYSA-N 1 0 323.440 4.021 20 30 DIEDRO N#CCC[C@@H](C#N)CN[C@H](c1cccs1)c1ccc(F)cc1 ZINC001120661270 1045541296 /nfs/dbraw/zinc/54/12/96/1045541296.db2.gz ODTNZJLKKYSTGT-GUYCJALGSA-N 1 0 313.401 4.010 20 30 DIEDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450721620 1045549335 /nfs/dbraw/zinc/54/93/35/1045549335.db2.gz XOVRPZLTFGGJTH-QRWLVFNGSA-N 1 0 308.425 4.037 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000113960928 1045563596 /nfs/dbraw/zinc/56/35/96/1045563596.db2.gz JFCAXOPYFUQRMQ-ZDUSSCGKSA-N 1 0 320.845 4.372 20 30 DIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(C#N)CCC1 ZINC000450824505 1045571231 /nfs/dbraw/zinc/57/12/31/1045571231.db2.gz CWQBZPFDSIKSBE-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO C=CCC1([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CCOCC1 ZINC000628338195 1045571282 /nfs/dbraw/zinc/57/12/82/1045571282.db2.gz COBMRVKWCYUCFV-INIZCTEOSA-N 1 0 309.812 4.181 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000381741605 1045582697 /nfs/dbraw/zinc/58/26/97/1045582697.db2.gz PAWJODPUMHXAIT-GHMZBOCLSA-N 1 0 302.643 4.330 20 30 DIEDRO C=CCC(CC=C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001124226251 1045622963 /nfs/dbraw/zinc/62/29/63/1045622963.db2.gz PLAFWAZECUJFTP-UHFFFAOYSA-N 1 0 318.505 4.060 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(C)c(C)o2)c1 ZINC000800481431 1045625208 /nfs/dbraw/zinc/62/52/08/1045625208.db2.gz RCIORSARDHKCQF-RHSMWYFYSA-N 1 0 312.413 4.428 20 30 DIEDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000451147902 1045633249 /nfs/dbraw/zinc/63/32/49/1045633249.db2.gz PLGFQAUFHWWPIF-LOWVWBTDSA-N 1 0 314.326 4.249 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1Cl ZINC000191072678 1045652512 /nfs/dbraw/zinc/65/25/12/1045652512.db2.gz RJBKCDKWHYEJAK-QGZVFWFLSA-N 1 0 301.821 4.037 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451293293 1045661300 /nfs/dbraw/zinc/66/13/00/1045661300.db2.gz DBMLNSQNZHXIJO-NHYWBVRUSA-N 1 0 314.326 4.298 20 30 DIEDRO CC(C)c1ncc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000800896128 1045664248 /nfs/dbraw/zinc/66/42/48/1045664248.db2.gz ZUOCMRFNWCOQRP-UHFFFAOYSA-N 1 0 305.834 4.081 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000800896118 1045664549 /nfs/dbraw/zinc/66/45/49/1045664549.db2.gz ZDKFATXNJBBRHZ-OLZOCXBDSA-N 1 0 316.754 4.422 20 30 DIEDRO C#CCCCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000779411848 1045678342 /nfs/dbraw/zinc/67/83/42/1045678342.db2.gz HZTJYZRAVOOIRQ-FQEVSTJZSA-N 1 0 304.393 4.310 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000800989928 1045678492 /nfs/dbraw/zinc/67/84/92/1045678492.db2.gz IVTPIVWLNDIEIU-CQSZACIVSA-N 1 0 324.811 4.074 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1Cl ZINC000800990135 1045678683 /nfs/dbraw/zinc/67/86/83/1045678683.db2.gz LTXWCGPTFWIDKM-UHFFFAOYSA-N 1 0 316.754 4.422 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000800990686 1045678742 /nfs/dbraw/zinc/67/87/42/1045678742.db2.gz RMQMSYHYLWZSHZ-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)C1 ZINC000451526653 1045692561 /nfs/dbraw/zinc/69/25/61/1045692561.db2.gz IQXXTHZBESZVGC-DOTOQJQBSA-N 1 0 320.839 4.379 20 30 DIEDRO Cn1cc(C[N@H+](C)C2c3ccccc3-c3ccccc32)cc1C#N ZINC000191405930 1045694885 /nfs/dbraw/zinc/69/48/85/1045694885.db2.gz MPWNSPBMFHYYAH-UHFFFAOYSA-N 1 0 313.404 4.099 20 30 DIEDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC000451554726 1045696429 /nfs/dbraw/zinc/69/64/29/1045696429.db2.gz AECJKXFCXIHILJ-IIBYNOLFSA-N 1 0 320.436 4.082 20 30 DIEDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC000451554725 1045697497 /nfs/dbraw/zinc/69/74/97/1045697497.db2.gz AECJKXFCXIHILJ-IERDGZPVSA-N 1 0 320.436 4.082 20 30 DIEDRO N#CCCC[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000451819403 1045732300 /nfs/dbraw/zinc/73/23/00/1045732300.db2.gz VHBOGHFYAFUKDY-QGZVFWFLSA-N 1 0 321.449 4.473 20 30 DIEDRO CC1(C)C[N@H+](Cc2cc(C#N)cs2)CC[C@H]1C(F)(F)F ZINC000191661405 1045746000 /nfs/dbraw/zinc/74/60/00/1045746000.db2.gz BIESGLMFZWCOPV-GFCCVEGCSA-N 1 0 302.365 4.030 20 30 DIEDRO Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)cc1 ZINC000753586615 1045769345 /nfs/dbraw/zinc/76/93/45/1045769345.db2.gz BRJWONGIQZKMFT-PXNSSMCTSA-N 1 0 320.436 4.275 20 30 DIEDRO Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)cc1 ZINC000753586618 1045770873 /nfs/dbraw/zinc/77/08/73/1045770873.db2.gz BRJWONGIQZKMFT-XLIONFOSSA-N 1 0 320.436 4.275 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191988230 1045771726 /nfs/dbraw/zinc/77/17/26/1045771726.db2.gz UFFIIEKJKUNTCX-GOSISDBHSA-N 1 0 310.372 4.043 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CC(c3ccccc3)C2)cc1 ZINC000801730831 1045785614 /nfs/dbraw/zinc/78/56/14/1045785614.db2.gz OPJJQTBBCYJLBF-VQSBYGRUSA-N 1 0 320.436 4.261 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(N2CCCC2)c1 ZINC000192162472 1045787761 /nfs/dbraw/zinc/78/77/61/1045787761.db2.gz HDRSLYCZYYZGQK-OAHLLOKOSA-N 1 0 323.415 4.148 20 30 DIEDRO C#CCCC[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000753666692 1045787740 /nfs/dbraw/zinc/78/77/40/1045787740.db2.gz ZDDKGZYADQMTOL-OAQYLSRUSA-N 1 0 318.395 4.466 20 30 DIEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)c(F)c3)CCCC2)cc1 ZINC000192155227 1045787993 /nfs/dbraw/zinc/78/79/93/1045787993.db2.gz UOIJMCSIRQXWGK-UHFFFAOYSA-N 1 0 324.399 4.265 20 30 DIEDRO CC(C)C[N@H+](CCC(=O)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000753708414 1045792630 /nfs/dbraw/zinc/79/26/30/1045792630.db2.gz FLSVUBOKSSYEQL-UHFFFAOYSA-N 1 0 300.446 4.022 20 30 DIEDRO CS[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)C(C)(C)C ZINC000753741325 1045798563 /nfs/dbraw/zinc/79/85/63/1045798563.db2.gz KBFQRHCQMXDLSU-CZUORRHYSA-N 1 0 306.475 4.017 20 30 DIEDRO C=CCC[C@H]([NH2+]CC1CCC2(CC1)OCCO2)c1ccccc1 ZINC000753750813 1045802002 /nfs/dbraw/zinc/80/20/02/1045802002.db2.gz XJMQQXXLSIDMAN-IBGZPJMESA-N 1 0 315.457 4.217 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)C2CCCC2)cc1 ZINC000753850853 1045810368 /nfs/dbraw/zinc/81/03/68/1045810368.db2.gz PAQCSKFPKNYBJE-HNNXBMFYSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)C2CCCC2)cc1 ZINC000753850870 1045810900 /nfs/dbraw/zinc/81/09/00/1045810900.db2.gz PAQCSKFPKNYBJE-OAHLLOKOSA-N 1 0 300.446 4.283 20 30 DIEDRO CCCCc1oc2ccccc2c1C[N@H+](C)CCO[C@@H](C)C#N ZINC000801909964 1045834693 /nfs/dbraw/zinc/83/46/93/1045834693.db2.gz JCODFQLPSIEGIF-HNNXBMFYSA-N 1 0 314.429 4.136 20 30 DIEDRO CCC[N@H+](CCO[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000801915444 1045836166 /nfs/dbraw/zinc/83/61/66/1045836166.db2.gz LIKJPWWQZNHNTL-GJZGRUSLSA-N 1 0 300.402 4.134 20 30 DIEDRO C[C@H](c1cccs1)[N@H+](CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000801916405 1045838124 /nfs/dbraw/zinc/83/81/24/1045838124.db2.gz XJMSLIONZXVETH-JKSUJKDBSA-N 1 0 314.454 4.240 20 30 DIEDRO CC(C)(C)SCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000801925275 1045846374 /nfs/dbraw/zinc/84/63/74/1045846374.db2.gz KORJZIMLUUWGQL-SJORKVTESA-N 1 0 302.487 4.290 20 30 DIEDRO CC(C)Cc1ccc([C@H]([NH2+]CCO[C@@H](C)C#N)C(C)C)cc1 ZINC000801929704 1045847934 /nfs/dbraw/zinc/84/79/34/1045847934.db2.gz TUAPOYJMBQJGPG-QFBILLFUSA-N 1 0 302.462 4.100 20 30 DIEDRO CC[C@H](C)c1ccc([C@H]([NH2+]CCO[C@@H](C)C#N)C(C)C)cc1 ZINC000801928945 1045848217 /nfs/dbraw/zinc/84/82/17/1045848217.db2.gz CAUUHQHUSIUTOL-TXPKVOOTSA-N 1 0 302.462 4.415 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C1CCCCC1 ZINC000754121236 1045849895 /nfs/dbraw/zinc/84/98/95/1045849895.db2.gz AULVUCRAHYKUIT-ZDUSSCGKSA-N 1 0 306.837 4.301 20 30 DIEDRO C=C(C)CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000452719149 1045854620 /nfs/dbraw/zinc/85/46/20/1045854620.db2.gz SEGUSZVEDLHORZ-UHFFFAOYSA-N 1 0 322.452 4.015 20 30 DIEDRO N#CCOc1ccc(C[NH2+]C(C2CCCC2)C2CCCC2)cc1 ZINC000754141456 1045855291 /nfs/dbraw/zinc/85/52/91/1045855291.db2.gz DPIOAIPJKUPMHK-UHFFFAOYSA-N 1 0 312.457 4.428 20 30 DIEDRO CCCCCCCC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001125163276 1045864259 /nfs/dbraw/zinc/86/42/59/1045864259.db2.gz RALSXHUYNVKTLQ-SFHVURJKSA-N 1 0 314.473 4.358 20 30 DIEDRO C=C(C)CCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001125265847 1045886268 /nfs/dbraw/zinc/88/62/68/1045886268.db2.gz DKHGOWHFYWIIHV-UHFFFAOYSA-N 1 0 300.446 4.010 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000631625137 1045889337 /nfs/dbraw/zinc/88/93/37/1045889337.db2.gz KESZBTFKWXUNMO-VPWXQRGCSA-N 1 0 312.457 4.060 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000631681415 1045902906 /nfs/dbraw/zinc/90/29/06/1045902906.db2.gz YTMMZQIFKQVGSS-CQSZACIVSA-N 1 0 318.461 4.297 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000531715908 1045905367 /nfs/dbraw/zinc/90/53/67/1045905367.db2.gz ZKIYKLLVXAGUSP-CRAIPNDOSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2Br)CC1 ZINC001137639612 1045913343 /nfs/dbraw/zinc/91/33/43/1045913343.db2.gz DWLOERFGLRQEMO-NNUKFRKNSA-N 1 0 321.262 4.331 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1Br)[C@@H](C)CC ZINC001137632831 1045914169 /nfs/dbraw/zinc/91/41/69/1045914169.db2.gz LSGACRGSDRWDMM-LBPRGKRZSA-N 1 0 309.251 4.331 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc2ccccc2s1 ZINC000754697197 1045914683 /nfs/dbraw/zinc/91/46/83/1045914683.db2.gz AFYDFBTURNWQKJ-CYBMUJFWSA-N 1 0 307.422 4.213 20 30 DIEDRO COc1cc(C[N@H+](CCC#N)CC(C)C)c(O)c(C(C)(C)C)c1 ZINC000754723314 1045919742 /nfs/dbraw/zinc/91/97/42/1045919742.db2.gz OCSWBPUAVJZVHH-UHFFFAOYSA-N 1 0 318.461 4.070 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)c(O)c(OC)c1 ZINC000754726463 1045920891 /nfs/dbraw/zinc/92/08/91/1045920891.db2.gz PFFPUTAMYQPGBA-SFHVURJKSA-N 1 0 309.409 4.076 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1csc2ccccc21 ZINC000754735432 1045922922 /nfs/dbraw/zinc/92/29/22/1045922922.db2.gz UDIAWNYPNWHGFH-SCLBCKFNSA-N 1 0 322.433 4.157 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000754798342 1045927944 /nfs/dbraw/zinc/92/79/44/1045927944.db2.gz MNISZRWZUUSMJA-RYUDHWBXSA-N 1 0 305.809 4.395 20 30 DIEDRO Cc1cccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1F ZINC001137678205 1045930117 /nfs/dbraw/zinc/93/01/17/1045930117.db2.gz BJDJXQPWBICNML-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c(C#N)c1 ZINC001137703622 1045941760 /nfs/dbraw/zinc/94/17/60/1045941760.db2.gz RDKFMBFGOCSTHE-SFHVURJKSA-N 1 0 320.436 4.022 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000802303749 1045948224 /nfs/dbraw/zinc/94/82/24/1045948224.db2.gz PXSNUGICQVGYAM-GOSISDBHSA-N 1 0 312.457 4.426 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2CC)c1 ZINC000779642190 1045961249 /nfs/dbraw/zinc/96/12/49/1045961249.db2.gz ODWQMPMFVWXYDC-YQVWRLOYSA-N 1 0 300.446 4.426 20 30 DIEDRO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000755196806 1045962294 /nfs/dbraw/zinc/96/22/94/1045962294.db2.gz YSQURZVHPKQUQW-VKAVYKQESA-N 1 0 306.409 4.124 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000453191308 1045974014 /nfs/dbraw/zinc/97/40/14/1045974014.db2.gz FFSGOWOTFVXOCS-GKWBDSLSSA-N 1 0 320.864 4.478 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ncc(-c2ccccc2)n1C ZINC000453224562 1045992143 /nfs/dbraw/zinc/99/21/43/1045992143.db2.gz MAKWLAXLLKBOTB-HNNXBMFYSA-N 1 0 310.445 4.068 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531883817 1046000600 /nfs/dbraw/zinc/00/06/00/1046000600.db2.gz JGAUYAVTGIJGRO-UHFFFAOYSA-N 1 0 307.743 4.041 20 30 DIEDRO Cc1ccc2nc(Cl)c(C[NH+]3CCC(CC#N)CC3)cc2c1 ZINC001137922771 1046018248 /nfs/dbraw/zinc/01/82/48/1046018248.db2.gz LEJMFPRDHKBXBG-UHFFFAOYSA-N 1 0 313.832 4.322 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000453329539 1046023125 /nfs/dbraw/zinc/02/31/25/1046023125.db2.gz ANUAOTIEEGCXAD-YUTCNCBUSA-N 1 0 308.491 4.133 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)cc1C#N ZINC000080339741 1046026822 /nfs/dbraw/zinc/02/68/22/1046026822.db2.gz CPIJDKQBFFQBHV-XCLFUZPHSA-N 1 0 324.399 4.119 20 30 DIEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453306646 1046028644 /nfs/dbraw/zinc/02/86/44/1046028644.db2.gz AWMMCRYVKCSDDV-OAHLLOKOSA-N 1 0 321.486 4.020 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1cccc(C(F)(F)F)c1 ZINC000902720827 1046049568 /nfs/dbraw/zinc/04/95/68/1046049568.db2.gz OJKCRACUNMBKGS-VXGBXAGGSA-N 1 0 319.330 4.384 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1cccc(C#N)c1 ZINC000902731667 1046054188 /nfs/dbraw/zinc/05/41/88/1046054188.db2.gz NTWPXGQBGIVVCV-VBKZILBWSA-N 1 0 321.424 4.319 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000902735636 1046054726 /nfs/dbraw/zinc/05/47/26/1046054726.db2.gz GZOLQGWGVNTLEH-GUYCJALGSA-N 1 0 308.381 4.089 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)c1 ZINC000902749988 1046058062 /nfs/dbraw/zinc/05/80/62/1046058062.db2.gz YBMUBBNBGMVZIM-LSDHHAIUSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1cccc(C#N)c1 ZINC000902756776 1046063474 /nfs/dbraw/zinc/06/34/74/1046063474.db2.gz LPUDCCADLGNONO-LJQANCHMSA-N 1 0 322.456 4.040 20 30 DIEDRO COc1ccc(N=NC(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779786060 1046065936 /nfs/dbraw/zinc/06/59/36/1046065936.db2.gz YCWJLSKTSDQJLY-GOSISDBHSA-N 1 0 323.440 4.005 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 ZINC000902767067 1046066632 /nfs/dbraw/zinc/06/66/32/1046066632.db2.gz XPWGLGUVSQSTDI-RYUDHWBXSA-N 1 0 319.330 4.384 20 30 DIEDRO CC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc(C#N)c1 ZINC000902767095 1046066771 /nfs/dbraw/zinc/06/67/71/1046066771.db2.gz YOHFAAUYMNRRDF-KRWDZBQOSA-N 1 0 318.424 4.108 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(COC(C)(C)C)c1)c1cc(C#N)ccn1 ZINC000902786318 1046070003 /nfs/dbraw/zinc/07/00/03/1046070003.db2.gz LZYJNIKLJIRFRJ-HNNXBMFYSA-N 1 0 323.440 4.119 20 30 DIEDRO CCOc1cc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)ccc1OC ZINC000902803108 1046073299 /nfs/dbraw/zinc/07/32/99/1046073299.db2.gz FPVKWQXQGNCQGC-SFHVURJKSA-N 1 0 324.424 4.206 20 30 DIEDRO C#C[C@H]1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001138051571 1046075733 /nfs/dbraw/zinc/07/57/33/1046075733.db2.gz AMTAITUYGVRESD-NSHDSACASA-N 1 0 301.739 4.204 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1cccc(C#N)c1 ZINC000902819311 1046077193 /nfs/dbraw/zinc/07/71/93/1046077193.db2.gz GHUUJRGTDPXADM-MOPGFXCFSA-N 1 0 322.408 4.131 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000902860298 1046090065 /nfs/dbraw/zinc/09/00/65/1046090065.db2.gz REUCMXPZKDNEEH-MSOLQXFVSA-N 1 0 310.372 4.262 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1C(F)(F)F ZINC001138093919 1046091351 /nfs/dbraw/zinc/09/13/51/1046091351.db2.gz NBUZMAMOVDYDNJ-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000194066515 1046092801 /nfs/dbraw/zinc/09/28/01/1046092801.db2.gz AQDGIUMFJVXEKK-UHFFFAOYSA-N 1 0 318.376 4.139 20 30 DIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000194060318 1046093265 /nfs/dbraw/zinc/09/32/65/1046093265.db2.gz ZERDXMUVGBNHCO-OAHLLOKOSA-N 1 0 320.392 4.494 20 30 DIEDRO CCc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)o1 ZINC000532122746 1046101372 /nfs/dbraw/zinc/10/13/72/1046101372.db2.gz JRSPRFMUCOCTLV-UHFFFAOYSA-N 1 0 324.424 4.193 20 30 DIEDRO CCCCn1cc(C[NH2+][C@H](CC)c2cccc(C#N)c2)c(C)n1 ZINC000902893728 1046102028 /nfs/dbraw/zinc/10/20/28/1046102028.db2.gz CRUVCXHXQXTVKN-LJQANCHMSA-N 1 0 310.445 4.104 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000902891223 1046102395 /nfs/dbraw/zinc/10/23/95/1046102395.db2.gz QSNQFFQMBBRTID-BZSNNMDCSA-N 1 0 300.446 4.193 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccncc1 ZINC000756582938 1046104732 /nfs/dbraw/zinc/10/47/32/1046104732.db2.gz LMHBTXQHKKARMK-KCXAZCMYSA-N 1 0 312.388 4.382 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(OC)c2)CC1)c1cccc(C#N)c1 ZINC000902916420 1046111824 /nfs/dbraw/zinc/11/18/24/1046111824.db2.gz QPZRJBCRZZUUSM-LJQANCHMSA-N 1 0 306.409 4.297 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(C#N)ccn1 ZINC000902941544 1046117520 /nfs/dbraw/zinc/11/75/20/1046117520.db2.gz ALHVCVFLMNOCNF-AUUYWEPGSA-N 1 0 321.399 4.379 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(C#N)ccn1 ZINC000902941545 1046117995 /nfs/dbraw/zinc/11/79/95/1046117995.db2.gz ALHVCVFLMNOCNF-IFXJQAMLSA-N 1 0 321.399 4.379 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000756710577 1046121608 /nfs/dbraw/zinc/12/16/08/1046121608.db2.gz ZKLCZRDQWYTLKM-RDJZCZTQSA-N 1 0 324.424 4.232 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000756708712 1046122581 /nfs/dbraw/zinc/12/25/81/1046122581.db2.gz HMSMQCJDQPCPNX-DOTOQJQBSA-N 1 0 324.424 4.232 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902967381 1046131723 /nfs/dbraw/zinc/13/17/23/1046131723.db2.gz SQVKLFQUXCRHQT-GFCCVEGCSA-N 1 0 319.330 4.131 20 30 DIEDRO COCCCC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000902976201 1046135444 /nfs/dbraw/zinc/13/54/44/1046135444.db2.gz OIHSUPRIMKMSGG-LPHOPBHVSA-N 1 0 323.440 4.162 20 30 DIEDRO CCO[C@@H]1CCC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000903000466 1046138942 /nfs/dbraw/zinc/13/89/42/1046138942.db2.gz KPWCAINFUPDKPK-GUDVDZBRSA-N 1 0 300.446 4.359 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000903005323 1046139726 /nfs/dbraw/zinc/13/97/26/1046139726.db2.gz SFZGRQVOSDYINZ-IPELMVKDSA-N 1 0 305.425 4.188 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnc(CCC)o1)[C@@]1(C)CCCCO1 ZINC000903012552 1046141489 /nfs/dbraw/zinc/14/14/89/1046141489.db2.gz QLIDZBJHRUSNHS-SJLPKXTDSA-N 1 0 306.450 4.011 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnc(CCC)o1)[C@]1(C)CCCCO1 ZINC000903012553 1046141589 /nfs/dbraw/zinc/14/15/89/1046141589.db2.gz QLIDZBJHRUSNHS-WMZOPIPTSA-N 1 0 306.450 4.011 20 30 DIEDRO C[N@H+]1Cc2ccccc2[C@@H](/N=C/c2c(O)ccc3ccccc32)C1 ZINC000756841208 1046141715 /nfs/dbraw/zinc/14/17/15/1046141715.db2.gz POMSURSEMXGRRG-CNSRZQHFSA-N 1 0 316.404 4.151 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000756837053 1046141809 /nfs/dbraw/zinc/14/18/09/1046141809.db2.gz FKDBJUHWJRKAER-RISCZKNCSA-N 1 0 321.770 4.034 20 30 DIEDRO CC[C@H]([NH2+]C1(c2ccccc2OC)CC1)c1cccc(C#N)c1 ZINC000903038590 1046146090 /nfs/dbraw/zinc/14/60/90/1046146090.db2.gz YZHGFNKGUXQJEZ-SFHVURJKSA-N 1 0 306.409 4.297 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC1SCCS1)[C@@]1(C)CCCCO1 ZINC000903056693 1046150605 /nfs/dbraw/zinc/15/06/05/1046150605.db2.gz RFWQWAAINZYNCI-GOEBONIOSA-N 1 0 315.548 4.066 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)c1cc(C#N)ccn1 ZINC000903073467 1046155469 /nfs/dbraw/zinc/15/54/69/1046155469.db2.gz SAHVOQQKIHSPLQ-SJCJKPOMSA-N 1 0 311.816 4.335 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OC)c(OCCC)c1)c1ccccc1 ZINC000756996993 1046157071 /nfs/dbraw/zinc/15/70/71/1046157071.db2.gz SWMTZKGGXSRYLM-LJQANCHMSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OCCC)c(OC)c1)c1ccccc1 ZINC000756995540 1046158065 /nfs/dbraw/zinc/15/80/65/1046158065.db2.gz IRERTCISOPBGIX-LJQANCHMSA-N 1 0 323.436 4.338 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)c(Cl)c1)c1cc(C#N)ccn1 ZINC000903093347 1046161141 /nfs/dbraw/zinc/16/11/41/1046161141.db2.gz IUKHSDXNTSCXSY-LLVKDONJSA-N 1 0 320.223 4.153 20 30 DIEDRO CC(C)(C#N)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000903101581 1046162702 /nfs/dbraw/zinc/16/27/02/1046162702.db2.gz JGKMIDASFLDZTN-LBPRGKRZSA-N 1 0 313.264 4.101 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)c1ccncc1 ZINC000903097235 1046163018 /nfs/dbraw/zinc/16/30/18/1046163018.db2.gz DEVODTLMAFGYAP-DNVCBOLYSA-N 1 0 310.445 4.046 20 30 DIEDRO COc1cc2ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc2cc1OC ZINC000903101560 1046164104 /nfs/dbraw/zinc/16/41/04/1046164104.db2.gz IXQRAHWVTHXPCE-ZDUSSCGKSA-N 1 0 312.413 4.057 20 30 DIEDRO N#CC1(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CCCC1 ZINC000903109616 1046167088 /nfs/dbraw/zinc/16/70/88/1046167088.db2.gz SSEWEHHWXPKUCG-MRXNPFEDSA-N 1 0 311.454 4.100 20 30 DIEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000903109023 1046167925 /nfs/dbraw/zinc/16/79/25/1046167925.db2.gz KKRKMPSDEOSISQ-MRXNPFEDSA-N 1 0 305.425 4.483 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnn(CC)c1)c1cccc(Cl)c1 ZINC000903121983 1046168249 /nfs/dbraw/zinc/16/82/49/1046168249.db2.gz UXDBVKAIYOEPAD-KRWDZBQOSA-N 1 0 303.837 4.354 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)c1ccccc1 ZINC000903132453 1046172258 /nfs/dbraw/zinc/17/22/58/1046172258.db2.gz ZCPFEYIHDREQQP-UZLBHIALSA-N 1 0 307.441 4.098 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CCO2 ZINC000903238813 1046204798 /nfs/dbraw/zinc/20/47/98/1046204798.db2.gz YECXOJXIWRZPQW-CHWSQXEVSA-N 1 0 310.372 4.044 20 30 DIEDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CC#N)C3)cc2)cc1 ZINC001138516684 1046209542 /nfs/dbraw/zinc/20/95/42/1046209542.db2.gz PHLWYMAJXNQKSR-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(-c2ccccc2)s1 ZINC001138531394 1046214754 /nfs/dbraw/zinc/21/47/54/1046214754.db2.gz KKQMWSOFQXSSNO-MKZZRHPPSA-N 1 0 309.438 4.077 20 30 DIEDRO C#CCOc1ccc(C[NH+]2CCC(c3cccs3)CC2)cc1 ZINC001138558631 1046224756 /nfs/dbraw/zinc/22/47/56/1046224756.db2.gz BSROQZLVJMNBMU-UHFFFAOYSA-N 1 0 311.450 4.140 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC001138556184 1046225909 /nfs/dbraw/zinc/22/59/09/1046225909.db2.gz JEWOJWZGQDVMIE-HXUWFJFHSA-N 1 0 309.384 4.175 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000756997631 1046229899 /nfs/dbraw/zinc/22/98/99/1046229899.db2.gz ZREZIMDUUSMMRZ-MRXNPFEDSA-N 1 0 319.326 4.281 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]c2cc(OC)ccc12)Cc1ccccc1 ZINC001138590579 1046236195 /nfs/dbraw/zinc/23/61/95/1046236195.db2.gz SSKBCBNDZUMPOY-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccccc1N1CCCC1 ZINC001138613686 1046241172 /nfs/dbraw/zinc/24/11/72/1046241172.db2.gz NCHNDOJGTAXYPJ-UHFFFAOYSA-N 1 0 306.453 4.475 20 30 DIEDRO COc1ccc(-c2cccc(C[NH+]3CCC(C)(C#N)CC3)c2)cc1 ZINC001138618291 1046244130 /nfs/dbraw/zinc/24/41/30/1046244130.db2.gz ZUYQFUFIECGQNC-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO C=CCc1cccc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)c1O ZINC001138629496 1046246203 /nfs/dbraw/zinc/24/62/03/1046246203.db2.gz AXMKTTADDAPERS-UHFFFAOYSA-N 1 0 324.468 4.209 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1O ZINC001138629221 1046246529 /nfs/dbraw/zinc/24/65/29/1046246529.db2.gz QXCDFSCGOKIRIK-MRXNPFEDSA-N 1 0 311.400 4.249 20 30 DIEDRO C=CCc1cccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1O ZINC001138624295 1046246682 /nfs/dbraw/zinc/24/66/82/1046246682.db2.gz BSPSUIMZEVEPNC-UHFFFAOYSA-N 1 0 307.384 4.132 20 30 DIEDRO C=CCc1cccc(C[N@@H+](C)[C@@H](C)c2ccccc2OC)c1O ZINC001138628626 1046247201 /nfs/dbraw/zinc/24/72/01/1046247201.db2.gz ZBWRUUDAYMQHBY-HNNXBMFYSA-N 1 0 311.425 4.322 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)c1O ZINC001138630071 1046248841 /nfs/dbraw/zinc/24/88/41/1046248841.db2.gz PWPKUPRRGNIFNF-LJQANCHMSA-N 1 0 308.425 4.161 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903335944 1046249310 /nfs/dbraw/zinc/24/93/10/1046249310.db2.gz VGSJVPFLDHGPIL-AZUAARDMSA-N 1 0 303.409 4.072 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CC[C@@H](c3cccc(OC)c3)C2)c1O ZINC001138630096 1046249725 /nfs/dbraw/zinc/24/97/25/1046249725.db2.gz QUBDGPVVIIVVDJ-GOSISDBHSA-N 1 0 323.436 4.119 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1C ZINC000897417262 1046251323 /nfs/dbraw/zinc/25/13/23/1046251323.db2.gz HAQPWKPXNMFPEX-JKSUJKDBSA-N 1 0 324.424 4.145 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)cc1 ZINC000245660274 1046252580 /nfs/dbraw/zinc/25/25/80/1046252580.db2.gz FQKQLIFTLQNOAO-MRUHUIDDSA-N 1 0 320.436 4.391 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2C)cc1 ZINC000245660277 1046252868 /nfs/dbraw/zinc/25/28/68/1046252868.db2.gz FQKQLIFTLQNOAO-WHSLLNHNSA-N 1 0 320.436 4.391 20 30 DIEDRO C[C@@H]([NH2+]CCC1CCC(F)(F)CC1)c1ccc(OCC#N)cc1 ZINC000903343549 1046253549 /nfs/dbraw/zinc/25/35/49/1046253549.db2.gz AHEQUGJATKWKIB-CQSZACIVSA-N 1 0 322.399 4.455 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)cc1 ZINC000245710858 1046262113 /nfs/dbraw/zinc/26/21/13/1046262113.db2.gz FYISTDXTVXHQLG-LZJOCLMNSA-N 1 0 320.436 4.355 20 30 DIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245750049 1046264636 /nfs/dbraw/zinc/26/46/36/1046264636.db2.gz NRAHBHNNUMPENG-UWWQBHOKSA-N 1 0 318.486 4.083 20 30 DIEDRO N#Cc1ccc2c(c1)CN(Cc1c(Cl)[nH]c3ccccc31)CC2 ZINC001138685619 1046270161 /nfs/dbraw/zinc/27/01/61/1046270161.db2.gz HGXXVQORYPUKJB-UHFFFAOYSA-N 1 0 321.811 4.251 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903428351 1046277079 /nfs/dbraw/zinc/27/70/79/1046277079.db2.gz NSEKWGNMQIHWHY-SFTDATJTSA-N 1 0 317.436 4.462 20 30 DIEDRO COCC[N@H+](CCCC(C)(C)C#N)Cc1ccc(C)cc1C ZINC000610447511 1046291062 /nfs/dbraw/zinc/29/10/62/1046291062.db2.gz BPGDDULFGOQLOY-UHFFFAOYSA-N 1 0 302.462 4.082 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)C2CCCC2)ccc1OC ZINC000089632022 1046294042 /nfs/dbraw/zinc/29/40/42/1046294042.db2.gz RYQVVRROKJGONL-WMLDXEAASA-N 1 0 316.445 4.044 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000089632420 1046294364 /nfs/dbraw/zinc/29/43/64/1046294364.db2.gz JQFXHBLOPLRYKU-UXLLHSPISA-N 1 0 316.445 4.066 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCC2(C)C)ccc1OC ZINC000089632508 1046295197 /nfs/dbraw/zinc/29/51/97/1046295197.db2.gz ZKXKSZJUAWVBNV-MAUKXSAKSA-N 1 0 316.445 4.044 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000090046170 1046333299 /nfs/dbraw/zinc/33/32/99/1046333299.db2.gz QQZJSUMWHFMMBA-MJBXVCDLSA-N 1 0 301.459 4.456 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001139029897 1046363301 /nfs/dbraw/zinc/36/33/01/1046363301.db2.gz VEPQPAVNVNWYQN-KRWDZBQOSA-N 1 0 308.425 4.026 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001139030432 1046363378 /nfs/dbraw/zinc/36/33/78/1046363378.db2.gz GYEDORNJRBULIW-SFHVURJKSA-N 1 0 323.436 4.250 20 30 DIEDRO C=CCOc1ccccc1CN1CCc2cc(F)c(F)cc2C1 ZINC001139031004 1046363634 /nfs/dbraw/zinc/36/36/34/1046363634.db2.gz OSZHLNDPPMJFAP-UHFFFAOYSA-N 1 0 315.363 4.088 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001139030430 1046365518 /nfs/dbraw/zinc/36/55/18/1046365518.db2.gz GYEDORNJRBULIW-GOSISDBHSA-N 1 0 323.436 4.250 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000610829693 1046379208 /nfs/dbraw/zinc/37/92/08/1046379208.db2.gz DYPFOTFFLNEIDD-ZIAGYGMSSA-N 1 0 309.369 4.187 20 30 DIEDRO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001139070637 1046380310 /nfs/dbraw/zinc/38/03/10/1046380310.db2.gz PWPKDCOPZZQTEO-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000780399335 1046384746 /nfs/dbraw/zinc/38/47/46/1046384746.db2.gz JGPLACBTUNNXEN-ZBWUASRJSA-N 1 0 318.420 4.267 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC000780399332 1046384909 /nfs/dbraw/zinc/38/49/09/1046384909.db2.gz JGPLACBTUNNXEN-WUQYLLKWSA-N 1 0 318.420 4.267 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000780526817 1046390431 /nfs/dbraw/zinc/39/04/31/1046390431.db2.gz IYAHYUZHDXVCDD-APWZRJJASA-N 1 0 308.400 4.198 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)nc1 ZINC000780558401 1046393106 /nfs/dbraw/zinc/39/31/06/1046393106.db2.gz ORJPYTVOXLAZBZ-MOPGFXCFSA-N 1 0 305.425 4.159 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780727705 1046400186 /nfs/dbraw/zinc/40/01/86/1046400186.db2.gz FFXYRWXHRBUMEY-IAOVAPTHSA-N 1 0 316.445 4.251 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1OC ZINC001202904481 1046400597 /nfs/dbraw/zinc/40/05/97/1046400597.db2.gz ZXVQAQSUQPIBFC-GOEBONIOSA-N 1 0 321.848 4.192 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780727706 1046400600 /nfs/dbraw/zinc/40/06/00/1046400600.db2.gz FFXYRWXHRBUMEY-JQFCIGGWSA-N 1 0 316.445 4.251 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Oc2ccccc2)nc1 ZINC001139247024 1046419163 /nfs/dbraw/zinc/41/91/63/1046419163.db2.gz RFDJEAPUAIQRMT-NNZMDNLPSA-N 1 0 319.408 4.140 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCC(OC(C)C)CC2)cc1 ZINC000090771949 1046421674 /nfs/dbraw/zinc/42/16/74/1046421674.db2.gz UICQIDPXLNWQRI-VQSBYGRUSA-N 1 0 315.457 4.085 20 30 DIEDRO CC(CCCC[NH+](C)C)N=Nc1ccnc2cc(Cl)ccc12 ZINC000781115010 1046425319 /nfs/dbraw/zinc/42/53/19/1046425319.db2.gz YWPOJBFJPXUSEA-UHFFFAOYSA-N 1 0 318.852 4.408 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001254642186 1046433832 /nfs/dbraw/zinc/43/38/32/1046433832.db2.gz FFBQJLVQISGQSQ-ZANVPECISA-N 1 0 302.727 4.141 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139367072 1046438827 /nfs/dbraw/zinc/43/88/27/1046438827.db2.gz HLSZYJGCWVGIKK-UHFFFAOYSA-N 1 0 309.866 4.044 20 30 DIEDRO C=CC[N@H+](Cc1ccc(-c2cnccn2)cc1)C1CCCCC1 ZINC001139394310 1046442107 /nfs/dbraw/zinc/44/21/07/1046442107.db2.gz DGLYGRRRSAOTEX-UHFFFAOYSA-N 1 0 307.441 4.464 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)cc2)c1 ZINC001139405478 1046443727 /nfs/dbraw/zinc/44/37/27/1046443727.db2.gz REYKTXXGAGDQGZ-FPOVZHCZSA-N 1 0 317.436 4.385 20 30 DIEDRO C[C@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139402676 1046444088 /nfs/dbraw/zinc/44/40/88/1046444088.db2.gz WDRCCVXNOWNYHH-INIZCTEOSA-N 1 0 305.425 4.242 20 30 DIEDRO C[C@@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C#N)cc1F ZINC000781422949 1046444134 /nfs/dbraw/zinc/44/41/34/1046444134.db2.gz RQROMJHQCACUST-GFCCVEGCSA-N 1 0 315.367 4.071 20 30 DIEDRO CC[C@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139404893 1046444208 /nfs/dbraw/zinc/44/42/08/1046444208.db2.gz DEPXHACSCOUNAU-INIZCTEOSA-N 1 0 305.425 4.242 20 30 DIEDRO CCCCCCCCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000781448533 1046445790 /nfs/dbraw/zinc/44/57/90/1046445790.db2.gz OCMNJKAODFSGRY-UHFFFAOYSA-N 1 0 309.523 4.452 20 30 DIEDRO C[C@@H]1CCCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139424593 1046448618 /nfs/dbraw/zinc/44/86/18/1046448618.db2.gz RNJRUEFLMLSJES-MRXNPFEDSA-N 1 0 321.424 4.368 20 30 DIEDRO C[C@H]1CCCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139424592 1046449308 /nfs/dbraw/zinc/44/93/08/1046449308.db2.gz RNJRUEFLMLSJES-INIZCTEOSA-N 1 0 321.424 4.368 20 30 DIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427451 1046450589 /nfs/dbraw/zinc/45/05/89/1046450589.db2.gz GOSWKBVZLYKQKQ-HOTGVXAUSA-N 1 0 321.424 4.223 20 30 DIEDRO CCCCCCCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000124184232 1046454428 /nfs/dbraw/zinc/45/44/28/1046454428.db2.gz WNAQNFXRRROTQJ-UHFFFAOYSA-N 1 0 320.477 4.063 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1ccc(C#N)c(F)c1 ZINC001139529358 1046463449 /nfs/dbraw/zinc/46/34/49/1046463449.db2.gz OPZOWTAEFPTUPG-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO Cc1cccc(C[N@H+](Cc2ccc(C#N)c(F)c2)C2CC2)c1C ZINC001139531250 1046465003 /nfs/dbraw/zinc/46/50/03/1046465003.db2.gz SJTRWYAGCGUYOB-UHFFFAOYSA-N 1 0 308.400 4.479 20 30 DIEDRO CC[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nc(C)cs1 ZINC000126749085 1046478723 /nfs/dbraw/zinc/47/87/23/1046478723.db2.gz BBVMWUXKGJKVJY-PQUAAJSLSA-N 1 0 311.454 4.116 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)o1 ZINC000091892124 1046486936 /nfs/dbraw/zinc/48/69/36/1046486936.db2.gz GBINZJFAIQEZSY-YLJYHZDGSA-N 1 0 324.424 4.020 20 30 DIEDRO C[C@H](C[NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000897472135 1046489996 /nfs/dbraw/zinc/48/99/96/1046489996.db2.gz OVDCNIYMDRFMRB-VEAWUBTESA-N 1 0 321.262 4.225 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1O ZINC000826911133 1046494872 /nfs/dbraw/zinc/49/48/72/1046494872.db2.gz SXYQSLJEBISIHD-UHFFFAOYSA-N 1 0 314.816 4.251 20 30 DIEDRO N#Cc1cccc2c(C[NH+]3CCC4(CC[C@H](F)C4)CC3)c[nH]c21 ZINC001139706287 1046501031 /nfs/dbraw/zinc/50/10/31/1046501031.db2.gz PVXQRSYKQAFCFT-INIZCTEOSA-N 1 0 311.404 4.144 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1c[nH]c2c1cccc2C#N ZINC001139703003 1046501456 /nfs/dbraw/zinc/50/14/56/1046501456.db2.gz GJMZWGDNYWHWIJ-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)c[nH]c21 ZINC001139703595 1046501987 /nfs/dbraw/zinc/50/19/87/1046501987.db2.gz QXGRVXKOVZKIMC-KRWDZBQOSA-N 1 0 315.420 4.104 20 30 DIEDRO N#Cc1cccc2c(C[NH+]3CCC4(CC(F)(F)C4)CC3)c[nH]c21 ZINC001139702730 1046502180 /nfs/dbraw/zinc/50/21/80/1046502180.db2.gz GFSZIVLZXJUGDH-UHFFFAOYSA-N 1 0 315.367 4.051 20 30 DIEDRO C[N@H+](Cc1c[nH]c2c1cccc2C#N)[C@H]1CCc2ccccc21 ZINC001139707578 1046504917 /nfs/dbraw/zinc/50/49/17/1046504917.db2.gz KRIXKKCNIGNRDK-IBGZPJMESA-N 1 0 301.393 4.159 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)cc1 ZINC001139724649 1046505574 /nfs/dbraw/zinc/50/55/74/1046505574.db2.gz YQVBUNXLTPFKRO-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cc1C#N ZINC001139723642 1046506318 /nfs/dbraw/zinc/50/63/18/1046506318.db2.gz CPHRBZNBVGNZAC-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc1C#N ZINC001139724754 1046506816 /nfs/dbraw/zinc/50/68/16/1046506816.db2.gz OMVTZDXKUYDOOP-UHFFFAOYSA-N 1 0 314.432 4.427 20 30 DIEDRO C=CCC[N@@H+](Cc1ccc(COC)s1)Cc1ccccc1 ZINC001139826895 1046525503 /nfs/dbraw/zinc/52/55/03/1046525503.db2.gz GBGCKOGZDSYNRS-UHFFFAOYSA-N 1 0 301.455 4.473 20 30 DIEDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000359877344 1046528066 /nfs/dbraw/zinc/52/80/66/1046528066.db2.gz PUKQNFDVLVOCDZ-JXFKEZNVSA-N 1 0 319.452 4.466 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001137313616 1046530101 /nfs/dbraw/zinc/53/01/01/1046530101.db2.gz JCVJZEIUENJWNS-UHFFFAOYSA-N 1 0 315.420 4.225 20 30 DIEDRO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001139879242 1046539263 /nfs/dbraw/zinc/53/92/63/1046539263.db2.gz HRVYPIAQFVBVDI-IBGZPJMESA-N 1 0 312.363 4.044 20 30 DIEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)c1 ZINC001139875425 1046539794 /nfs/dbraw/zinc/53/97/94/1046539794.db2.gz MNNTYPSOOUDNMO-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)c1ccccc1 ZINC000782772367 1046543019 /nfs/dbraw/zinc/54/30/19/1046543019.db2.gz APZWUCZDLZKZRA-QFBILLFUSA-N 1 0 317.436 4.238 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000783252644 1046569053 /nfs/dbraw/zinc/56/90/53/1046569053.db2.gz DECGBJVDIUXRFF-UYAOXDASSA-N 1 0 308.400 4.297 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccccc1-n1ccnc1C ZINC001140025961 1046571540 /nfs/dbraw/zinc/57/15/40/1046571540.db2.gz HCRQBXLPWAOSAK-UHFFFAOYSA-N 1 0 317.436 4.369 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccccc1-c1cncnc1 ZINC001140022041 1046572742 /nfs/dbraw/zinc/57/27/42/1046572742.db2.gz FKBKCZHGFOPUKZ-UHFFFAOYSA-N 1 0 315.420 4.332 20 30 DIEDRO CCC1CCC(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000729682676 1046580002 /nfs/dbraw/zinc/58/00/02/1046580002.db2.gz YRPXNFAFIIOYHF-UHFFFAOYSA-N 1 0 313.489 4.342 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000678212575 1046587077 /nfs/dbraw/zinc/58/70/77/1046587077.db2.gz JKRJZJHLCAYIQW-FQEVSTJZSA-N 1 0 309.409 4.294 20 30 DIEDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110295 1046590940 /nfs/dbraw/zinc/59/09/40/1046590940.db2.gz IMKARARIKWUEPH-AWEZNQCLSA-N 1 0 301.393 4.159 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114828 1046591335 /nfs/dbraw/zinc/59/13/35/1046591335.db2.gz BRYRZISJZKGEJX-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)c2c1 ZINC001140114569 1046591816 /nfs/dbraw/zinc/59/18/16/1046591816.db2.gz TUWFDMRWZUTYIX-GOSISDBHSA-N 1 0 315.420 4.419 20 30 DIEDRO CCc1ccc(C[N@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cc1 ZINC001140116038 1046594928 /nfs/dbraw/zinc/59/49/28/1046594928.db2.gz PCPQELQUHIUHGS-UHFFFAOYSA-N 1 0 303.409 4.234 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000834351138 1046605321 /nfs/dbraw/zinc/60/53/21/1046605321.db2.gz SOHGAYVJCNQTNI-JWTNVVGKSA-N 1 0 308.510 4.259 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000783651149 1046617906 /nfs/dbraw/zinc/61/79/06/1046617906.db2.gz SRZRYIFZXPRFKG-INIZCTEOSA-N 1 0 314.772 4.102 20 30 DIEDRO CC(C)(CCC#N)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000093319376 1046622261 /nfs/dbraw/zinc/62/22/61/1046622261.db2.gz UMBUHQYNSXBRSZ-UHFFFAOYSA-N 1 0 300.446 4.467 20 30 DIEDRO CC(C)C[N@H+](C[C@@H](O)c1ccc(F)cc1)CC(C)(C)CCC#N ZINC000093476921 1046629900 /nfs/dbraw/zinc/62/99/00/1046629900.db2.gz RQZRXNZWSMEPTH-GOSISDBHSA-N 1 0 320.452 4.147 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1ccc(C)nc1C)C(C)C ZINC000678412573 1046630986 /nfs/dbraw/zinc/63/09/86/1046630986.db2.gz XPABCROMNPVWKD-PXNSSMCTSA-N 1 0 315.505 4.048 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)c2sccc21 ZINC000834639800 1046643206 /nfs/dbraw/zinc/64/32/06/1046643206.db2.gz BYUALFFUWUDADE-CXAGYDPISA-N 1 0 312.438 4.379 20 30 DIEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000533056001 1046646395 /nfs/dbraw/zinc/64/63/95/1046646395.db2.gz FFZRRDITIGYGLD-MRXNPFEDSA-N 1 0 301.821 4.443 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)c2sccc21 ZINC000834672382 1046647791 /nfs/dbraw/zinc/64/77/91/1046647791.db2.gz FVBNECGGLRPFOT-BDJLRTHQSA-N 1 0 300.402 4.487 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccccc1 ZINC000643321473 1046659460 /nfs/dbraw/zinc/65/94/60/1046659460.db2.gz QRWPTUAHFWOTSX-GOSISDBHSA-N 1 0 309.457 4.096 20 30 DIEDRO C=C(C)[C@H](CO)[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000643407695 1046666205 /nfs/dbraw/zinc/66/62/05/1046666205.db2.gz ANYQNKCTZOZAIY-HNNXBMFYSA-N 1 0 314.256 4.110 20 30 DIEDRO C=CC[N@H+](Cc1ccc(-c2cncnc2)cc1)C1CCCCC1 ZINC001140354818 1046671816 /nfs/dbraw/zinc/67/18/16/1046671816.db2.gz QQKVUAQQQZJSDE-UHFFFAOYSA-N 1 0 307.441 4.464 20 30 DIEDRO C[C@@H](O)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000795787240 1046676954 /nfs/dbraw/zinc/67/69/54/1046676954.db2.gz PWVGZHBIIPSXNM-QVKFZJNVSA-N 1 0 320.436 4.169 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCNc1ccccc1 ZINC000795799652 1046680735 /nfs/dbraw/zinc/68/07/35/1046680735.db2.gz RWQUOEXOPJCFDT-FQEVSTJZSA-N 1 0 305.425 4.027 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000533288885 1046687334 /nfs/dbraw/zinc/68/73/34/1046687334.db2.gz GBYCPHVGDSKJGY-UHFFFAOYSA-N 1 0 302.462 4.229 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000533289147 1046687779 /nfs/dbraw/zinc/68/77/79/1046687779.db2.gz VUJRXKLWSDAEDH-UHFFFAOYSA-N 1 0 312.816 4.096 20 30 DIEDRO CC(C)C[N@H+](CC[C@@H](O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000795883368 1046690832 /nfs/dbraw/zinc/69/08/32/1046690832.db2.gz UXTGTVXJDTWXHQ-OAQYLSRUSA-N 1 0 322.452 4.140 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000533299351 1046690999 /nfs/dbraw/zinc/69/09/99/1046690999.db2.gz IHLUEIOMLROMMP-NSHDSACASA-N 1 0 315.244 4.218 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCOc2cccc3ccccc32)c(F)c1 ZINC000533311581 1046691099 /nfs/dbraw/zinc/69/10/99/1046691099.db2.gz XMMJJNQHGDSMBR-UHFFFAOYSA-N 1 0 320.367 4.019 20 30 DIEDRO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)c1 ZINC000784495077 1046693077 /nfs/dbraw/zinc/69/30/77/1046693077.db2.gz RWPOCXZFFCCDOB-LJQANCHMSA-N 1 0 320.436 4.195 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741931 1046693151 /nfs/dbraw/zinc/69/31/51/1046693151.db2.gz HEDTUOUTJCDBDE-DLBZAZTESA-N 1 0 308.425 4.113 20 30 DIEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000678747903 1046693288 /nfs/dbraw/zinc/69/32/88/1046693288.db2.gz FLYFUXJFOZTHNW-KDOFPFPSSA-N 1 0 315.388 4.206 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678744294 1046693579 /nfs/dbraw/zinc/69/35/79/1046693579.db2.gz KKYKKKJJZUXIPY-IAGOWNOFSA-N 1 0 308.425 4.113 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)c1 ZINC000784546704 1046697133 /nfs/dbraw/zinc/69/71/33/1046697133.db2.gz XBROZNZCPONANL-BPQIPLTHSA-N 1 0 300.446 4.283 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC001140415048 1046700700 /nfs/dbraw/zinc/70/07/00/1046700700.db2.gz IBNQOCIAZKMVAK-UHFFFAOYSA-N 1 0 301.821 4.195 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(C)CCC(F)(F)CC2)cc1 ZINC000784620914 1046701738 /nfs/dbraw/zinc/70/17/38/1046701738.db2.gz DOHWBUPFMGCFDB-ZDUSSCGKSA-N 1 0 308.372 4.035 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2(C)CCC(F)(F)CC2)cc1 ZINC000784620871 1046701758 /nfs/dbraw/zinc/70/17/58/1046701758.db2.gz BPQOFMZJNQAYNZ-UHFFFAOYSA-N 1 0 307.384 4.146 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC1(C)COC1)c1ccc(C(F)(F)F)cc1 ZINC000678799355 1046702162 /nfs/dbraw/zinc/70/21/62/1046702162.db2.gz WPGFHHIBVQGKNX-OAHLLOKOSA-N 1 0 313.363 4.339 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C23CCC(CC2)C3)ccc1OC ZINC000784644284 1046704226 /nfs/dbraw/zinc/70/42/26/1046704226.db2.gz UTKJPGFVVFNGST-UHFFFAOYSA-N 1 0 301.430 4.072 20 30 DIEDRO C[C@]1(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1(Cl)Cl ZINC000834894450 1046704904 /nfs/dbraw/zinc/70/49/04/1046704904.db2.gz SJSTXPMEOJXAPP-CABCVRRESA-N 1 0 309.240 4.109 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000834902560 1046713045 /nfs/dbraw/zinc/71/30/45/1046713045.db2.gz HCUZVZDTBGFQAU-JKSUJKDBSA-N 1 0 323.864 4.285 20 30 DIEDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000834904472 1046714368 /nfs/dbraw/zinc/71/43/68/1046714368.db2.gz YNTXNCRFTZVGCK-AWEZNQCLSA-N 1 0 311.404 4.004 20 30 DIEDRO CCCCCC[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796664563 1046715659 /nfs/dbraw/zinc/71/56/59/1046715659.db2.gz ZFNVOEUOCFSCQZ-QGZVFWFLSA-N 1 0 313.489 4.476 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000533425098 1046720105 /nfs/dbraw/zinc/72/01/05/1046720105.db2.gz MMZZIPIDLRQUPB-QGZVFWFLSA-N 1 0 302.462 4.309 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000796723184 1046722356 /nfs/dbraw/zinc/72/23/56/1046722356.db2.gz KMXUEXZBWKJMRI-GOSISDBHSA-N 1 0 310.441 4.459 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Cl)cc1O)[C@@H]1CCc2ccccc21 ZINC001140467624 1046738103 /nfs/dbraw/zinc/73/81/03/1046738103.db2.gz ZWPXCBSUCUYKQI-GOSISDBHSA-N 1 0 311.812 4.168 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccco1 ZINC000796846569 1046745537 /nfs/dbraw/zinc/74/55/37/1046745537.db2.gz OBXQHKRNHMDBJX-CVEARBPZSA-N 1 0 323.795 4.403 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1C#N ZINC000533538743 1046747301 /nfs/dbraw/zinc/74/73/01/1046747301.db2.gz YKEIISUGDGUYFY-LJQANCHMSA-N 1 0 306.409 4.076 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(C#N)c(F)c1F ZINC001211995566 1046761069 /nfs/dbraw/zinc/76/10/69/1046761069.db2.gz FVVVPTFXRPXPEO-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(C#N)c(C#N)c1 ZINC001211996342 1046764162 /nfs/dbraw/zinc/76/41/62/1046764162.db2.gz WRXSLIFEZJEYMO-UHFFFAOYSA-N 1 0 304.397 4.015 20 30 DIEDRO C=CCC[N@@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1 ZINC001140523684 1046764550 /nfs/dbraw/zinc/76/45/50/1046764550.db2.gz UADCQCQDMLNADY-UHFFFAOYSA-N 1 0 315.438 4.113 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OCC=C)cc2)cc1 ZINC000797005515 1046771445 /nfs/dbraw/zinc/77/14/45/1046771445.db2.gz BZXOECZDQLRFMG-KRWDZBQOSA-N 1 0 321.420 4.114 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccccc2)C2CCCCC2)cn1 ZINC001140540171 1046772789 /nfs/dbraw/zinc/77/27/89/1046772789.db2.gz LVYSJLYTQBEIQW-UHFFFAOYSA-N 1 0 305.425 4.288 20 30 DIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)nc2)cc1C ZINC001140546296 1046777125 /nfs/dbraw/zinc/77/71/25/1046777125.db2.gz CLNRZGDHSOWEOV-FQEVSTJZSA-N 1 0 305.425 4.297 20 30 DIEDRO CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140546914 1046778011 /nfs/dbraw/zinc/77/80/11/1046778011.db2.gz ZTRGANRNWRFRTH-QGZVFWFLSA-N 1 0 309.438 4.012 20 30 DIEDRO C=CCC(C)(C)C(=O)O[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000797047923 1046780085 /nfs/dbraw/zinc/78/00/85/1046780085.db2.gz HUXSQLOAPAUGEG-SJLPKXTDSA-N 1 0 315.457 4.043 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC001140559550 1046781042 /nfs/dbraw/zinc/78/10/42/1046781042.db2.gz JPJVTTQFWJSOJX-UHFFFAOYSA-N 1 0 317.738 4.084 20 30 DIEDRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001140594700 1046799282 /nfs/dbraw/zinc/79/92/82/1046799282.db2.gz JNCASBKUYGFPOU-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001140594699 1046800217 /nfs/dbraw/zinc/80/02/17/1046800217.db2.gz JNCASBKUYGFPOU-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001140601007 1046805465 /nfs/dbraw/zinc/80/54/65/1046805465.db2.gz FCPAYUNOMKGSLV-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO C[N@H+](CCc1cccc(F)c1)Cc1cc(C#N)ccc1Cl ZINC001140604310 1046810196 /nfs/dbraw/zinc/81/01/96/1046810196.db2.gz ZBPPNEVEXPQQQB-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO Cc1cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cc(C)c1O ZINC001140658656 1046840592 /nfs/dbraw/zinc/84/05/92/1046840592.db2.gz MFHJJTOYNAPRRT-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000679576609 1046872495 /nfs/dbraw/zinc/87/24/95/1046872495.db2.gz PZBFOGNUKLHDOS-CYBMUJFWSA-N 1 0 321.367 4.294 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000679576223 1046873739 /nfs/dbraw/zinc/87/37/39/1046873739.db2.gz LAJBIOIIESXRCU-GFCCVEGCSA-N 1 0 319.392 4.194 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000679576524 1046873759 /nfs/dbraw/zinc/87/37/59/1046873759.db2.gz OWUXPEPTFYYEND-KRWDZBQOSA-N 1 0 301.430 4.005 20 30 DIEDRO Cc1ccnc(N=NC2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000797786436 1046881689 /nfs/dbraw/zinc/88/16/89/1046881689.db2.gz WIUOCWGLKZPZBG-UHFFFAOYSA-N 1 0 322.456 4.233 20 30 DIEDRO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140750939 1046883972 /nfs/dbraw/zinc/88/39/72/1046883972.db2.gz DDOHDDXJDZYHSP-UHFFFAOYSA-N 1 0 314.379 4.495 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755298 1046887274 /nfs/dbraw/zinc/88/72/74/1046887274.db2.gz ZAQISSAJLWQMAX-SFHVURJKSA-N 1 0 300.352 4.420 20 30 DIEDRO C=C(C)[C@H](CO)[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000679674698 1046893111 /nfs/dbraw/zinc/89/31/11/1046893111.db2.gz SCWZOTZZXKIQHX-INIZCTEOSA-N 1 0 312.240 4.020 20 30 DIEDRO Cc1cc(F)ccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001140776983 1046893990 /nfs/dbraw/zinc/89/39/90/1046893990.db2.gz DUEFJOUQGILIFG-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO Cc1cc(F)ccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001140782496 1046895873 /nfs/dbraw/zinc/89/58/73/1046895873.db2.gz ZCIYNLGFSBRGEO-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000797878226 1046899849 /nfs/dbraw/zinc/89/98/49/1046899849.db2.gz QANZVXXDXNYESQ-RXVVDRJESA-N 1 0 323.436 4.130 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000797878224 1046900596 /nfs/dbraw/zinc/90/05/96/1046900596.db2.gz QANZVXXDXNYESQ-GHTZIAJQSA-N 1 0 323.436 4.130 20 30 DIEDRO C[NH+](C)[C@H](CNc1ccc(Cl)cc1C#N)c1cccc(F)c1 ZINC000303333308 1046910796 /nfs/dbraw/zinc/91/07/96/1046910796.db2.gz BYACWFGAWPYRJW-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1Cl ZINC001140809944 1046911209 /nfs/dbraw/zinc/91/12/09/1046911209.db2.gz NUNCOHIZEDHOQI-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796342615 1046929453 /nfs/dbraw/zinc/92/94/53/1046929453.db2.gz VAEMJWFIYFXZLT-KLAILNCOSA-N 1 0 324.509 4.404 20 30 DIEDRO COc1cccc(CC2CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC001204373738 1046946477 /nfs/dbraw/zinc/94/64/77/1046946477.db2.gz UMJJHRQLFIEGDG-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC001258721262 1046947516 /nfs/dbraw/zinc/94/75/16/1046947516.db2.gz QVHPQNXEPFXRMX-ZDUSSCGKSA-N 1 0 308.263 4.425 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCc2ccc(Cl)cc2Cl)c1 ZINC000303721154 1046953479 /nfs/dbraw/zinc/95/34/79/1046953479.db2.gz XFCRIEKRRKRSQF-UHFFFAOYSA-N 1 0 308.212 4.229 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]CCCCC#N)sc1Br ZINC000286651487 1046954716 /nfs/dbraw/zinc/95/47/16/1046954716.db2.gz UFENXZQNDNYYJK-JTQLQIEISA-N 1 0 301.253 4.164 20 30 DIEDRO SC1CC[NH+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941674 1046955084 /nfs/dbraw/zinc/95/50/84/1046955084.db2.gz QYPUJBCLDRSQMT-UHFFFAOYSA-N 1 0 306.862 4.025 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](C)CC(F)F)ccc1OC ZINC000647225466 1046957444 /nfs/dbraw/zinc/95/74/44/1046957444.db2.gz HLVBGLQZHZJOCZ-ZDUSSCGKSA-N 1 0 313.388 4.031 20 30 DIEDRO CC(C)CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000615092164 1046959828 /nfs/dbraw/zinc/95/98/28/1046959828.db2.gz DEUYBXYUHINKCW-INIZCTEOSA-N 1 0 323.440 4.229 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCc2ccc(C(F)(F)F)cc2)cc1C ZINC000303774897 1046963906 /nfs/dbraw/zinc/96/39/06/1046963906.db2.gz GIPNSTTVTXSJEG-UHFFFAOYSA-N 1 0 321.346 4.249 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccc(Cl)s1 ZINC000037284530 1046981323 /nfs/dbraw/zinc/98/13/23/1046981323.db2.gz DVXAHPQVTDGZOO-LLVKDONJSA-N 1 0 306.818 4.155 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000303917353 1046999740 /nfs/dbraw/zinc/99/97/40/1046999740.db2.gz VJZDYRIOUGCBOC-CXAGYDPISA-N 1 0 312.363 4.214 20 30 DIEDRO COc1ccc(NC(=[NH2+])NCCCC2CCCC2)cc1Cl ZINC000303888896 1047002054 /nfs/dbraw/zinc/00/20/54/1047002054.db2.gz LPOIBXIYUKPPQY-UHFFFAOYSA-N 1 0 309.841 4.046 20 30 DIEDRO C#CCCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000799199958 1047010786 /nfs/dbraw/zinc/01/07/86/1047010786.db2.gz RTAZEVQDVVBHAY-UHFFFAOYSA-N 1 0 306.247 4.042 20 30 DIEDRO C#CC[C@H]([NH2+]C1CCC(c2nc(CC)no2)CC1)c1ccccc1 ZINC000272478979 1047014239 /nfs/dbraw/zinc/01/42/39/1047014239.db2.gz JBJMLKXRKGZMFO-ABHNRTSZSA-N 1 0 323.440 4.012 20 30 DIEDRO CCCCC1CC[NH+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141106950 1047014932 /nfs/dbraw/zinc/01/49/32/1047014932.db2.gz LJNMQOHJXBLPCM-UHFFFAOYSA-N 1 0 311.882 4.258 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CCCC3(CCCC3)C2)c1Cl ZINC001141106830 1047016361 /nfs/dbraw/zinc/01/63/61/1047016361.db2.gz JHSVTMRSCALOJV-UHFFFAOYSA-N 1 0 309.866 4.012 20 30 DIEDRO CC[N@@H+](c1ccc(NCc2ccc(C#N)c(OC)c2)cc1)C(C)C ZINC000799333880 1047018994 /nfs/dbraw/zinc/01/89/94/1047018994.db2.gz KVCIPTNKZQNOCD-UHFFFAOYSA-N 1 0 323.440 4.414 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(c3ccccc3)CCC2)cc1 ZINC000237485960 1047024119 /nfs/dbraw/zinc/02/41/19/1047024119.db2.gz GDDSZLUVGQYDGT-KRWDZBQOSA-N 1 0 320.436 4.189 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1ccc(F)cc1C#N ZINC001141166278 1047034569 /nfs/dbraw/zinc/03/45/69/1047034569.db2.gz CCTXBVZMYAWXGX-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C[C@@H]([N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)C(C)(C)C ZINC000536655886 1047046364 /nfs/dbraw/zinc/04/63/64/1047046364.db2.gz MTCWHUDUQIWTBJ-MRXNPFEDSA-N 1 0 324.472 4.330 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001141208807 1047046695 /nfs/dbraw/zinc/04/66/95/1047046695.db2.gz LDAYTBQQAVMVTA-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001141208805 1047047460 /nfs/dbraw/zinc/04/74/60/1047047460.db2.gz LDAYTBQQAVMVTA-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO CC[N@H+](Cc1ccc2[nH]cnc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000536650531 1047048778 /nfs/dbraw/zinc/04/87/78/1047048778.db2.gz NTUFBWYMWJWSRM-AWEZNQCLSA-N 1 0 304.397 4.018 20 30 DIEDRO C[C@H]1SCCN(Cc2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000536661808 1047053260 /nfs/dbraw/zinc/05/32/60/1047053260.db2.gz FUSOCWYXDIMAMD-CXAGYDPISA-N 1 0 314.479 4.298 20 30 DIEDRO COc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2C2CCCCC2)cc1Cl ZINC000304785746 1047054758 /nfs/dbraw/zinc/05/47/58/1047054758.db2.gz ICAIILWJGSXBSB-DZGCQCFKSA-N 1 0 321.852 4.044 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000799720691 1047054804 /nfs/dbraw/zinc/05/48/04/1047054804.db2.gz TWLFFXCWSXVMNN-GPANFISMSA-N 1 0 322.399 4.281 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)[C@H]1c1cccc(F)c1 ZINC000536666296 1047055850 /nfs/dbraw/zinc/05/58/50/1047055850.db2.gz LPSFSKLJCYOQIS-SJKOYZFVSA-N 1 0 300.402 4.342 20 30 DIEDRO CN(c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1)C1CCCCC1 ZINC000799716683 1047056254 /nfs/dbraw/zinc/05/62/54/1047056254.db2.gz VDOZYBSWONVPQJ-ZWKOTPCHSA-N 1 0 311.473 4.237 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)[C@H]1c1cccc(F)c1 ZINC000536666297 1047056883 /nfs/dbraw/zinc/05/68/83/1047056883.db2.gz LPSFSKLJCYOQIS-YVEFUNNKSA-N 1 0 300.402 4.342 20 30 DIEDRO C=CC1CC[NH+](Cc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000536672732 1047063369 /nfs/dbraw/zinc/06/33/69/1047063369.db2.gz JWLNNSKYUASSLV-UHFFFAOYSA-N 1 0 309.837 4.145 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC(C#N)CC3)cc2)cc1 ZINC001141287763 1047076948 /nfs/dbraw/zinc/07/69/48/1047076948.db2.gz OIBQOHFMLHORLS-UHFFFAOYSA-N 1 0 317.392 4.086 20 30 DIEDRO CSCC[N@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141296061 1047080058 /nfs/dbraw/zinc/08/00/58/1047080058.db2.gz SZVFQRUWBDHFAM-UHFFFAOYSA-N 1 0 312.438 4.145 20 30 DIEDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC000379637136 1047086062 /nfs/dbraw/zinc/08/60/62/1047086062.db2.gz SBQIJARXNMFSKV-UHFFFAOYSA-N 1 0 315.505 4.207 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cnc(Cl)cc1OC ZINC001141341206 1047099280 /nfs/dbraw/zinc/09/92/80/1047099280.db2.gz SJHXMQVOTXZERS-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536842959 1047110055 /nfs/dbraw/zinc/11/00/55/1047110055.db2.gz BOTYABNMPFZNHQ-LSDHHAIUSA-N 1 0 301.352 4.073 20 30 DIEDRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000536871046 1047116531 /nfs/dbraw/zinc/11/65/31/1047116531.db2.gz PTWLCNLJBXGKBL-RCDYEMGKSA-N 1 0 300.446 4.272 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCOc2ccc(OCC)cc21)C1CC1 ZINC000681400059 1047120618 /nfs/dbraw/zinc/12/06/18/1047120618.db2.gz WZABNLIQDAJLKT-MSOLQXFVSA-N 1 0 301.430 4.243 20 30 DIEDRO CC[C@H](CSC)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000537096695 1047136916 /nfs/dbraw/zinc/13/69/16/1047136916.db2.gz IKHJLPPEXOONDX-WWDZGPRUSA-N 1 0 302.487 4.122 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000537095292 1047136930 /nfs/dbraw/zinc/13/69/30/1047136930.db2.gz RZHVCIPTOIFNBV-CJNGLKHVSA-N 1 0 301.455 4.053 20 30 DIEDRO C[C@H](CCC1CCCCC1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001116461053 1047145560 /nfs/dbraw/zinc/14/55/60/1047145560.db2.gz DPPCIEWMVHLPGH-MRXNPFEDSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@H]2CCc3ccccc32)cc1 ZINC000827745985 1047151810 /nfs/dbraw/zinc/15/18/10/1047151810.db2.gz JSZOQOBOSVWMBQ-QFBILLFUSA-N 1 0 320.436 4.139 20 30 DIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)c2cccc(C#N)c2)C1 ZINC000537294766 1047161391 /nfs/dbraw/zinc/16/13/91/1047161391.db2.gz DRIGLPOPLZDUMK-IAGOWNOFSA-N 1 0 313.489 4.109 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC001116721402 1047171593 /nfs/dbraw/zinc/17/15/93/1047171593.db2.gz IROKEALSFGEGHC-CUYAVPTFSA-N 1 0 308.450 4.413 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1csc(Cl)c1 ZINC001116723938 1047171653 /nfs/dbraw/zinc/17/16/53/1047171653.db2.gz OLUYHAQORATUHC-LLVKDONJSA-N 1 0 306.818 4.155 20 30 DIEDRO CC(C)Oc1ccccc1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001116721359 1047172013 /nfs/dbraw/zinc/17/20/13/1047172013.db2.gz GZUCFEOUKOJQLQ-UHFFFAOYSA-N 1 0 320.436 4.187 20 30 DIEDRO CC[C@@H]([NH2+]CCCOCc1ccccc1)c1ccc(C#N)cc1 ZINC001116810556 1047178841 /nfs/dbraw/zinc/17/88/41/1047178841.db2.gz WFSSXPUBRKMJLU-HXUWFJFHSA-N 1 0 308.425 4.206 20 30 DIEDRO COc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000537405485 1047181202 /nfs/dbraw/zinc/18/12/02/1047181202.db2.gz LPKJWBSPOOYRKK-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@@H](NCCC[N@H+](C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000537407273 1047181230 /nfs/dbraw/zinc/18/12/30/1047181230.db2.gz ODSDPZZBOVPISQ-OAHLLOKOSA-N 1 0 317.452 4.003 20 30 DIEDRO COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000537405486 1047181371 /nfs/dbraw/zinc/18/13/71/1047181371.db2.gz LPKJWBSPOOYRKK-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000666866307 1047198571 /nfs/dbraw/zinc/19/85/71/1047198571.db2.gz LWTBQHVEIGDBQI-OAHLLOKOSA-N 1 0 317.477 4.000 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000839163797 1047200402 /nfs/dbraw/zinc/20/04/02/1047200402.db2.gz QBSDHVHROPDBQK-UHFFFAOYSA-N 1 0 324.424 4.001 20 30 DIEDRO C=C[C@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC001141590387 1047207591 /nfs/dbraw/zinc/20/75/91/1047207591.db2.gz FZBHRFVCUPDLHO-FQEVSTJZSA-N 1 0 320.436 4.191 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cc4cnccc4o3)CC2)cc1 ZINC000897588568 1047212062 /nfs/dbraw/zinc/21/20/62/1047212062.db2.gz GNPJKAZQJKOLIK-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000897628898 1047252000 /nfs/dbraw/zinc/25/20/00/1047252000.db2.gz OQLJREUTMNBUNY-UKRRQHHQSA-N 1 0 317.845 4.094 20 30 DIEDRO CC(C)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC001141662629 1047253867 /nfs/dbraw/zinc/25/38/67/1047253867.db2.gz VAWNSRMCJQDTRK-UHFFFAOYSA-N 1 0 321.262 4.189 20 30 DIEDRO C[C@H]1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2Br)CC1 ZINC001141664283 1047254138 /nfs/dbraw/zinc/25/41/38/1047254138.db2.gz FYQAHFMBBFZWCE-NNUKFRKNSA-N 1 0 321.262 4.331 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(F)c2cccnc12 ZINC000796633337 1047275313 /nfs/dbraw/zinc/27/53/13/1047275313.db2.gz SGSAEJYVIQGSSJ-UHFFFAOYSA-N 1 0 304.368 4.009 20 30 DIEDRO C=CC1(CC(=O)NCCCC[NH+]2CCC(C)CC2)CCCCC1 ZINC001141734095 1047280929 /nfs/dbraw/zinc/28/09/29/1047280929.db2.gz HWSDGNOYAJZTOM-UHFFFAOYSA-N 1 0 320.521 4.141 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000390287553 1047294951 /nfs/dbraw/zinc/29/49/51/1047294951.db2.gz GEVOLLNKMXOZQY-IBGZPJMESA-N 1 0 312.388 4.215 20 30 DIEDRO C=C(C)C[N@@H+](CCSC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000796455840 1047296843 /nfs/dbraw/zinc/29/68/43/1047296843.db2.gz ZSSXWBKGJVDZJY-UHFFFAOYSA-N 1 0 309.523 4.374 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cncs2)cc1Cl ZINC000897935138 1047301588 /nfs/dbraw/zinc/30/15/88/1047301588.db2.gz TVKLACYVRODAOP-NSHDSACASA-N 1 0 308.834 4.212 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC001118558218 1047301975 /nfs/dbraw/zinc/30/19/75/1047301975.db2.gz NHNZAPWOYSHLRH-ZDUSSCGKSA-N 1 0 313.470 4.206 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)ccc1C#N ZINC000897995952 1047308806 /nfs/dbraw/zinc/30/88/06/1047308806.db2.gz VMPXLQAFZHVYGM-IBGZPJMESA-N 1 0 323.440 4.147 20 30 DIEDRO CSc1nc(C[NH+]2CCC(c3ccccc3)CC2)ccc1C#N ZINC001141931646 1047310802 /nfs/dbraw/zinc/31/08/02/1047310802.db2.gz HJAXWWJDVPLCKE-UHFFFAOYSA-N 1 0 323.465 4.055 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CC[C@H]2CCC(F)(F)C2)c1 ZINC000898018869 1047313927 /nfs/dbraw/zinc/31/39/27/1047313927.db2.gz DPLXFCYOERHHGM-OAHLLOKOSA-N 1 0 322.399 4.284 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1 ZINC000725845947 1047319525 /nfs/dbraw/zinc/31/95/25/1047319525.db2.gz RCKGJPCNEQOQGJ-UHFFFAOYSA-N 1 0 314.388 4.221 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccncc1 ZINC000840724231 1047320484 /nfs/dbraw/zinc/32/04/84/1047320484.db2.gz VEBRGAIHMJKSCI-BBWFWOEESA-N 1 0 302.462 4.271 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)C1 ZINC000651670676 1047323208 /nfs/dbraw/zinc/32/32/08/1047323208.db2.gz RKERKYCHCZDKLG-YJBOKZPZSA-N 1 0 300.446 4.116 20 30 DIEDRO F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#Cc2ccccc2)s1 ZINC001141977956 1047326277 /nfs/dbraw/zinc/32/62/77/1047326277.db2.gz USQYYIWYKFRZPR-BXWFABGCSA-N 1 0 311.425 4.080 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651793134 1047330140 /nfs/dbraw/zinc/33/01/40/1047330140.db2.gz ZXOKFPYYBBODFB-BSIFCXSSSA-N 1 0 322.452 4.380 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2nccn2C)C1 ZINC000651962684 1047335928 /nfs/dbraw/zinc/33/59/28/1047335928.db2.gz LQHHFDLGVQYSKI-QRQLOZEOSA-N 1 0 309.457 4.038 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000898325623 1047338020 /nfs/dbraw/zinc/33/80/20/1047338020.db2.gz QBEUOZKHTDYUGE-HXUWFJFHSA-N 1 0 321.424 4.005 20 30 DIEDRO C[C@@]1(C#N)CCCN(CCCc2ccccc2Br)C1 ZINC000612163878 1047349315 /nfs/dbraw/zinc/34/93/15/1047349315.db2.gz ZPMDTJLDDSDVHP-INIZCTEOSA-N 1 0 321.262 4.007 20 30 DIEDRO CCC[C@@H](C)[N@@H+]1Cc2ccc(N=Cc3cccc(O)c3O)cc2C1 ZINC000726429167 1047349401 /nfs/dbraw/zinc/34/94/01/1047349401.db2.gz KBDZKKGDBPDIGB-CQSZACIVSA-N 1 0 324.424 4.353 20 30 DIEDRO CC(C)[C@@H](C)[N@@H+]1Cc2ccc(N=Cc3cccc(O)c3O)cc2C1 ZINC000726428836 1047350309 /nfs/dbraw/zinc/35/03/09/1047350309.db2.gz HDEIOKYQEAMKMS-CQSZACIVSA-N 1 0 324.424 4.209 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000840928085 1047361709 /nfs/dbraw/zinc/36/17/09/1047361709.db2.gz JVRGGTWMOYBAFN-UHFFFAOYSA-N 1 0 324.453 4.092 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000840971079 1047365157 /nfs/dbraw/zinc/36/51/57/1047365157.db2.gz FPPPAIPTNJOVGW-XLIONFOSSA-N 1 0 320.436 4.254 20 30 DIEDRO C=CCC1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCCCC1 ZINC001142065445 1047366918 /nfs/dbraw/zinc/36/69/18/1047366918.db2.gz NLUDHVYYEIPZFP-YLJYHZDGSA-N 1 0 320.521 4.140 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccco1 ZINC000796794547 1047393418 /nfs/dbraw/zinc/39/34/18/1047393418.db2.gz URPKXZNARUBGAJ-CQSZACIVSA-N 1 0 322.449 4.180 20 30 DIEDRO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)C(CC)CC)nn1 ZINC000653600513 1047406815 /nfs/dbraw/zinc/40/68/15/1047406815.db2.gz DWHWOQDUFVWPTN-LJQANCHMSA-N 1 0 312.461 4.121 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000117877048 1047425481 /nfs/dbraw/zinc/42/54/81/1047425481.db2.gz JBTPJHITSGTMME-OAHLLOKOSA-N 1 0 315.392 4.021 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CCCSCC#N)cc1 ZINC000080629416 1047426859 /nfs/dbraw/zinc/42/68/59/1047426859.db2.gz OSPZTIULRDMNTI-QZTJIDSGSA-N 1 0 302.487 4.210 20 30 DIEDRO C[NH+](C)CC1CCC(/N=C\c2c(O)ccc3ccccc32)CC1 ZINC000749582016 1047427009 /nfs/dbraw/zinc/42/70/09/1047427009.db2.gz IBBGIBUNLORXQJ-BKUYFWCQSA-N 1 0 310.441 4.085 20 30 DIEDRO CC(NNc1[nH+]cc(C(F)(F)F)cc1Cl)=C1CC1(F)F ZINC000841605260 1047435593 /nfs/dbraw/zinc/43/55/93/1047435593.db2.gz OVBQAUSPMXYEOR-ZETCQYMHSA-N 1 0 313.657 4.197 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2ncc(C)s2)c(O)c1 ZINC000749929729 1047448317 /nfs/dbraw/zinc/44/83/17/1047448317.db2.gz DOAGVRUAGXGSTP-VBEHJTROSA-N 1 0 317.458 4.183 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1O ZINC000841750755 1047449702 /nfs/dbraw/zinc/44/97/02/1047449702.db2.gz AUFVJYXYCMXHQA-APPDUMDISA-N 1 0 312.800 4.255 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1O ZINC000841760231 1047453657 /nfs/dbraw/zinc/45/36/57/1047453657.db2.gz DFSMJQSZROVLOM-OALUTQOASA-N 1 0 306.409 4.382 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000841763402 1047454632 /nfs/dbraw/zinc/45/46/32/1047454632.db2.gz XDOLNWKIKUCPRC-IAGOWNOFSA-N 1 0 323.827 4.261 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccnc1Cl ZINC000841761831 1047454932 /nfs/dbraw/zinc/45/49/32/1047454932.db2.gz LPDQKCXCIJPLLA-PXAZEXFGSA-N 1 0 311.816 4.335 20 30 DIEDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000841759943 1047455675 /nfs/dbraw/zinc/45/56/75/1047455675.db2.gz CGTZPNAWSGMPTP-DJJJIMSYSA-N 1 0 322.408 4.001 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(O)c1 ZINC000841761025 1047455776 /nfs/dbraw/zinc/45/57/76/1047455776.db2.gz HVOOAVALKBIHKY-AUUYWEPGSA-N 1 0 306.409 4.301 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(Cl)ccc1O ZINC000841893419 1047461900 /nfs/dbraw/zinc/46/19/00/1047461900.db2.gz DYALTDUUYXNBOO-KRWDZBQOSA-N 1 0 312.800 4.084 20 30 DIEDRO C=CCOc1ccccc1CN[C@H](C)c1ccc(F)cc1F ZINC000119925627 1047473108 /nfs/dbraw/zinc/47/31/08/1047473108.db2.gz DFBMIMPBILIMGO-CYBMUJFWSA-N 1 0 303.352 4.380 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1 ZINC000537629267 1047487547 /nfs/dbraw/zinc/48/75/47/1047487547.db2.gz OVAFFRLGLJEFDJ-MRXNPFEDSA-N 1 0 311.425 4.020 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000842680074 1047497623 /nfs/dbraw/zinc/49/76/23/1047497623.db2.gz BRDQWAJFULZTAF-HNNXBMFYSA-N 1 0 308.372 4.035 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2(c3ccccc3C)CC2)cc1 ZINC000842731940 1047500984 /nfs/dbraw/zinc/50/09/84/1047500984.db2.gz FTYGWLVEGGAUTD-UHFFFAOYSA-N 1 0 305.421 4.176 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(c3ccccc3F)CCC2)cc1 ZINC000842746990 1047502312 /nfs/dbraw/zinc/50/23/12/1047502312.db2.gz GYGPLWZUECYEOI-OAHLLOKOSA-N 1 0 324.399 4.286 20 30 DIEDRO COc1ccccc1C[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665523 1047506985 /nfs/dbraw/zinc/50/69/85/1047506985.db2.gz ACMRDPDMQQREIV-LPHOPBHVSA-N 1 0 308.425 4.261 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(N(C)C)cc1 ZINC000842886244 1047511450 /nfs/dbraw/zinc/51/14/50/1047511450.db2.gz UWPHCSVUUNGLRJ-HXUWFJFHSA-N 1 0 307.441 4.060 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)c[nH]c2c1 ZINC001142920791 1047514365 /nfs/dbraw/zinc/51/43/65/1047514365.db2.gz BWSKKGJHJBPTJW-GOSISDBHSA-N 1 0 315.420 4.104 20 30 DIEDRO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccc(Cl)cc1 ZINC001142921689 1047514538 /nfs/dbraw/zinc/51/45/38/1047514538.db2.gz SPNIFHSASURAPW-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CCSc4ccccc4C3)c[nH]c2c1 ZINC001142925760 1047514930 /nfs/dbraw/zinc/51/49/30/1047514930.db2.gz CBDRZXLRXVDUSZ-UHFFFAOYSA-N 1 0 319.433 4.147 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3C[C@@H]4C[C@H](C3)c3ccccc34)c[nH]c2c1 ZINC001142926064 1047515788 /nfs/dbraw/zinc/51/57/88/1047515788.db2.gz IXWGMYPPAPJXPH-IYBDPMFKSA-N 1 0 313.404 4.126 20 30 DIEDRO C=CCC[C@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000121370302 1047519883 /nfs/dbraw/zinc/51/98/83/1047519883.db2.gz IHRVOQPVNYRZNK-AWEZNQCLSA-N 1 0 307.484 4.139 20 30 DIEDRO C=CC[N@@H+](Cc1cc(-c2ccccc2)nn1C)C1CCCCC1 ZINC001143017012 1047524950 /nfs/dbraw/zinc/52/49/50/1047524950.db2.gz JDVUTEDUYFBDLF-UHFFFAOYSA-N 1 0 309.457 4.408 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCCCCCC[NH3+] ZINC000843042695 1047525119 /nfs/dbraw/zinc/52/51/19/1047525119.db2.gz RKHSUBOZBGBGGM-UHFFFAOYSA-N 1 0 317.477 4.179 20 30 DIEDRO CC(C)(C)c1cccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1O ZINC001143103444 1047530794 /nfs/dbraw/zinc/53/07/94/1047530794.db2.gz DQFODSCMCMAOHI-UHFFFAOYSA-N 1 0 320.436 4.120 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(C)(C)C)c1O ZINC001143110293 1047532091 /nfs/dbraw/zinc/53/20/91/1047532091.db2.gz BRZZVTWVHFMXIV-UHFFFAOYSA-N 1 0 308.425 4.193 20 30 DIEDRO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCc2ccc(Br)cc21 ZINC000537639425 1047535626 /nfs/dbraw/zinc/53/56/26/1047535626.db2.gz JLVRVOGJDUKSLG-WBMJQRKESA-N 1 0 321.262 4.308 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCc2c(Br)cccc2C1 ZINC000092756074 1047538702 /nfs/dbraw/zinc/53/87/02/1047538702.db2.gz AEXNGPJGIHAPPS-UHFFFAOYSA-N 1 0 321.262 4.137 20 30 DIEDRO CC(C)(CCC#N)C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000093741391 1047550903 /nfs/dbraw/zinc/55/09/03/1047550903.db2.gz NZYZANFKWMOHDD-LJQANCHMSA-N 1 0 314.473 4.078 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCC[C@H]2C)ccc1OC ZINC000060926698 1047553855 /nfs/dbraw/zinc/55/38/55/1047553855.db2.gz GLCDHWHJHOCBFH-WBVHZDCISA-N 1 0 303.446 4.318 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@H]1c1ccccc1 ZINC001204375410 1047569327 /nfs/dbraw/zinc/56/93/27/1047569327.db2.gz RTVCFKADSATFOD-FPOVZHCZSA-N 1 0 307.437 4.487 20 30 DIEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000926899104 1047572209 /nfs/dbraw/zinc/57/22/09/1047572209.db2.gz USLVEXDBQIFTKG-HUUCEWRRSA-N 1 0 312.388 4.448 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1ccc(C#N)cc1F)c1ccccc1 ZINC000059259992 1047584999 /nfs/dbraw/zinc/58/49/99/1047584999.db2.gz FWVCXFBQJPCOMU-LJQANCHMSA-N 1 0 311.404 4.192 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000237815239 1047595900 /nfs/dbraw/zinc/59/59/00/1047595900.db2.gz IMXHBRYMDSMGAN-NYLDSWQDSA-N 1 0 302.421 4.351 20 30 DIEDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237496152 1047606836 /nfs/dbraw/zinc/60/68/36/1047606836.db2.gz XQFMCXNHDYLMTL-INIZCTEOSA-N 1 0 301.478 4.341 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC001153262497 1047621833 /nfs/dbraw/zinc/62/18/33/1047621833.db2.gz NUFLMFMVHXSDRA-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCOc1ccccc1C#N ZINC000060478813 1047625662 /nfs/dbraw/zinc/62/56/62/1047625662.db2.gz PCELBWHTOYLEER-CQSZACIVSA-N 1 0 314.816 4.283 20 30 DIEDRO COc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1C ZINC000537721297 1047635586 /nfs/dbraw/zinc/63/55/86/1047635586.db2.gz ZYLPLYWMFBOLBX-UHFFFAOYSA-N 1 0 318.420 4.165 20 30 DIEDRO C=CCCOCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000538117391 1047658195 /nfs/dbraw/zinc/65/81/95/1047658195.db2.gz WTOOXOJJSCIQDG-INIZCTEOSA-N 1 0 324.262 4.083 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000538115140 1047659428 /nfs/dbraw/zinc/65/94/28/1047659428.db2.gz ZFVCWFNBIDNGFC-MRXNPFEDSA-N 1 0 313.363 4.339 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000538153944 1047660164 /nfs/dbraw/zinc/66/01/64/1047660164.db2.gz AZIDURLWROPBAG-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)c1 ZINC000538126979 1047660545 /nfs/dbraw/zinc/66/05/45/1047660545.db2.gz VJPPHMHNHQKDGH-INIZCTEOSA-N 1 0 311.400 4.315 20 30 DIEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000538125681 1047660571 /nfs/dbraw/zinc/66/05/71/1047660571.db2.gz YGHCRZAOHPNXMT-ZDUSSCGKSA-N 1 0 321.873 4.343 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000538226136 1047663831 /nfs/dbraw/zinc/66/38/31/1047663831.db2.gz NFIIIINOAHZSLS-HOTGVXAUSA-N 1 0 315.379 4.319 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000538410272 1047675988 /nfs/dbraw/zinc/67/59/88/1047675988.db2.gz KUXRHZQOCIRNJY-WDEREUQCSA-N 1 0 302.365 4.078 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)c1c(F)cccc1Cl ZINC000538429444 1047676870 /nfs/dbraw/zinc/67/68/70/1047676870.db2.gz KNKUQKRWEZZJHO-UHFFFAOYSA-N 1 0 322.836 4.480 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc(C#N)c3ccccc3n2)c1 ZINC001155347592 1047677942 /nfs/dbraw/zinc/67/79/42/1047677942.db2.gz GJMGWEIZGHBAAG-CYBMUJFWSA-N 1 0 312.376 4.070 20 30 DIEDRO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(C#N)c(F)c1 ZINC000538502668 1047682263 /nfs/dbraw/zinc/68/22/63/1047682263.db2.gz FORWQTDTCLQYFM-CYBMUJFWSA-N 1 0 307.372 4.072 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000538728227 1047701994 /nfs/dbraw/zinc/70/19/94/1047701994.db2.gz GHVFFOPLEYKSGH-VQTJNVASSA-N 1 0 315.420 4.440 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000128057746 1047716283 /nfs/dbraw/zinc/71/62/83/1047716283.db2.gz TZRQEMNSYGVGDS-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000539051968 1047727355 /nfs/dbraw/zinc/72/73/55/1047727355.db2.gz RRJLPVCYQXUMOE-AEFFLSMTSA-N 1 0 321.436 4.043 20 30 DIEDRO C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000667195069 1047733271 /nfs/dbraw/zinc/73/32/71/1047733271.db2.gz MUPKKVZVUVKDLX-KRWDZBQOSA-N 1 0 315.461 4.102 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C(C)C ZINC000539080089 1047735301 /nfs/dbraw/zinc/73/53/01/1047735301.db2.gz RMKFPYFXDHFFMS-ABHNRTSZSA-N 1 0 300.446 4.272 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000539221461 1047742780 /nfs/dbraw/zinc/74/27/80/1047742780.db2.gz WXSBYUZMHDSXAX-KRWDZBQOSA-N 1 0 317.473 4.421 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000249059291 1047744350 /nfs/dbraw/zinc/74/43/50/1047744350.db2.gz ZMXMLTUUYMZKLB-XJKCOSOUSA-N 1 0 310.363 4.481 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000539297494 1047744967 /nfs/dbraw/zinc/74/49/67/1047744967.db2.gz FANLRDNYTCSRHI-VHSXEESVSA-N 1 0 322.663 4.482 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000477934447 1047759731 /nfs/dbraw/zinc/75/97/31/1047759731.db2.gz UHPOJSAVKQNRLG-JNAXZKDPSA-N 1 0 324.399 4.126 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971435 1047764833 /nfs/dbraw/zinc/76/48/33/1047764833.db2.gz YDJFJCAUYSKYKL-PKOBYXMFSA-N 1 0 316.489 4.156 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927041488 1047771654 /nfs/dbraw/zinc/77/16/54/1047771654.db2.gz ZDONHYRAOAKPAC-SJLPKXTDSA-N 1 0 312.482 4.344 20 30 DIEDRO CC(C)c1ccc(C#N)c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158265617 1047772523 /nfs/dbraw/zinc/77/25/23/1047772523.db2.gz IGOJGBJPZZNRGS-HNAYVOBHSA-N 1 0 314.477 4.032 20 30 DIEDRO CC(C)c1ccc(C#N)c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158265619 1047772728 /nfs/dbraw/zinc/77/27/28/1047772728.db2.gz IGOJGBJPZZNRGS-KXBFYZLASA-N 1 0 314.477 4.032 20 30 DIEDRO CC1(C)C[C@@H](Nc2nccc3ccc(C#N)cc32)C[C@@](C)(C[NH3+])C1 ZINC001158268751 1047772941 /nfs/dbraw/zinc/77/29/41/1047772941.db2.gz QUWHKDRBQLEXDX-OXQOHEQNSA-N 1 0 322.456 4.062 20 30 DIEDRO N#Cc1ccc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC000552625274 1047783465 /nfs/dbraw/zinc/78/34/65/1047783465.db2.gz CZWBPEBJMOTOBA-UHFFFAOYSA-N 1 0 316.408 4.246 20 30 DIEDRO C=C(C)c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)c1 ZINC001158610268 1047791895 /nfs/dbraw/zinc/79/18/95/1047791895.db2.gz QEQPNVYWRMVUSL-UHFFFAOYSA-N 1 0 310.397 4.161 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nc(C(C)C)ccc1C#N ZINC001158730893 1047796193 /nfs/dbraw/zinc/79/61/93/1047796193.db2.gz VCECCPYVUPTTCW-KRWDZBQOSA-N 1 0 320.440 4.317 20 30 DIEDRO N#Cc1c2c(sc1Nc1ccc([C@H]3CCC[NH2+]3)cc1)CCC2 ZINC001159152298 1047816313 /nfs/dbraw/zinc/81/63/13/1047816313.db2.gz MENUEPMKYLTIEJ-MRXNPFEDSA-N 1 0 309.438 4.277 20 30 DIEDRO N#Cc1sc(-c2ccc(F)cc2)cc1Nc1cncc(C[NH3+])c1 ZINC001159144644 1047816392 /nfs/dbraw/zinc/81/63/92/1047816392.db2.gz HCSQEKIHNMSHMH-UHFFFAOYSA-N 1 0 324.384 4.023 20 30 DIEDRO N#Cc1c2c(sc1Nc1ccc3ccccc3c1)C[NH2+]CC2 ZINC001159160033 1047817310 /nfs/dbraw/zinc/81/73/10/1047817310.db2.gz WAPRLHXRMDCLSG-UHFFFAOYSA-N 1 0 305.406 4.162 20 30 DIEDRO CC(C)(C)n1cc(C#N)cc1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159167784 1047817493 /nfs/dbraw/zinc/81/74/93/1047817493.db2.gz SEZCSTPAWXMZKU-QGZVFWFLSA-N 1 0 308.429 4.283 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC001159209576 1047820284 /nfs/dbraw/zinc/82/02/84/1047820284.db2.gz ZYDNKHSUAPIZRD-QZTJIDSGSA-N 1 0 308.510 4.070 20 30 DIEDRO N#Cc1c2ccc(Cl)cc2sc1Nc1cncc(C[NH3+])c1 ZINC001159216893 1047821993 /nfs/dbraw/zinc/82/19/93/1047821993.db2.gz VBYXTRLZMADCGL-UHFFFAOYSA-N 1 0 314.801 4.024 20 30 DIEDRO CCCCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000478963272 1047829124 /nfs/dbraw/zinc/82/91/24/1047829124.db2.gz ORMLPBXEULSGNI-UHFFFAOYSA-N 1 0 321.490 4.076 20 30 DIEDRO Cc1cc(C#N)cc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)c1 ZINC001159391017 1047838630 /nfs/dbraw/zinc/83/86/30/1047838630.db2.gz PEZZTBAZXSTDRE-DJIMGWMZSA-N 1 0 320.440 4.236 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001182784031 1047845253 /nfs/dbraw/zinc/84/52/53/1047845253.db2.gz YVLIILDPJDBSFN-LBPRGKRZSA-N 1 0 301.858 4.309 20 30 DIEDRO N#Cc1cc(Cl)c(Nc2ccc3c(c2)CC[NH2+]C3)c(Cl)c1 ZINC001159469915 1047851152 /nfs/dbraw/zinc/85/11/52/1047851152.db2.gz RVRMPANYXNAKMP-UHFFFAOYSA-N 1 0 318.207 4.254 20 30 DIEDRO C=CCCC1(C[NH2+][C@@H](C)CC(C)(C)CC(=O)OC)CCCC1 ZINC001182864147 1047851975 /nfs/dbraw/zinc/85/19/75/1047851975.db2.gz AJOZGFOXIQDRGL-INIZCTEOSA-N 1 0 309.494 4.471 20 30 DIEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC001182917714 1047862949 /nfs/dbraw/zinc/86/29/49/1047862949.db2.gz ABELHXJLFHZFNZ-SJLPKXTDSA-N 1 0 307.865 4.234 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001182942640 1047864713 /nfs/dbraw/zinc/86/47/13/1047864713.db2.gz XAKQJRIATMHDMA-YESZJQIVSA-N 1 0 324.509 4.499 20 30 DIEDRO N#Cc1c(F)cccc1CN(Cc1ccccc1F)CC1CC1 ZINC001182950586 1047865318 /nfs/dbraw/zinc/86/53/18/1047865318.db2.gz WCVUSSOIMRDOSH-UHFFFAOYSA-N 1 0 312.363 4.249 20 30 DIEDRO N#Cc1cc(Nc2ccc(-c3ccco3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159552029 1047867315 /nfs/dbraw/zinc/86/73/15/1047867315.db2.gz MCKDKZUHTISEEB-UHFFFAOYSA-N 1 0 315.376 4.249 20 30 DIEDRO N#Cc1cc(Nc2ccc(C3CC[NH2+]CC3)cc2)ccc1Cl ZINC001159591453 1047876063 /nfs/dbraw/zinc/87/60/63/1047876063.db2.gz MKHMXQYJAZMAIG-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC001183046620 1047878843 /nfs/dbraw/zinc/87/88/43/1047878843.db2.gz YCLWCCONJAQRLJ-IEBWSBKVSA-N 1 0 300.490 4.089 20 30 DIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C ZINC001183076360 1047881397 /nfs/dbraw/zinc/88/13/97/1047881397.db2.gz YQEDPAATTRBENE-CQSZACIVSA-N 1 0 312.457 4.062 20 30 DIEDRO COc1cccc([C@@]2(C)CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC001174573582 1047890049 /nfs/dbraw/zinc/89/00/49/1047890049.db2.gz FWCBYXDDGNBDSW-IERDGZPVSA-N 1 0 320.436 4.291 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001174573845 1047890859 /nfs/dbraw/zinc/89/08/59/1047890859.db2.gz GTOHRHKUMNQRJD-HXUWFJFHSA-N 1 0 315.457 4.457 20 30 DIEDRO N#Cc1cc(Nc2cc(Cl)ccc2Cl)cc(C2C[NH2+]C2)c1 ZINC001159704366 1047905515 /nfs/dbraw/zinc/90/55/15/1047905515.db2.gz YARQEGAPEFJLBX-UHFFFAOYSA-N 1 0 318.207 4.295 20 30 DIEDRO CCCC[N@H+](CCCSCC#N)Cc1c(C)oc(C)c1C ZINC001198019703 1047913750 /nfs/dbraw/zinc/91/37/50/1047913750.db2.gz BPOJHPFFJIMOFK-UHFFFAOYSA-N 1 0 308.491 4.454 20 30 DIEDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC001198010280 1047914749 /nfs/dbraw/zinc/91/47/49/1047914749.db2.gz HXTWMKCPCUQECR-YLJYHZDGSA-N 1 0 320.436 4.205 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000774616802 1047915307 /nfs/dbraw/zinc/91/53/07/1047915307.db2.gz WPRDIJXCQGAUDO-JKSUJKDBSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CCCCC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000479518985 1047918777 /nfs/dbraw/zinc/91/87/77/1047918777.db2.gz UDLKTNWHLVLMGW-KRWDZBQOSA-N 1 0 314.473 4.034 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cnc(Br)cn1 ZINC001183346293 1047922095 /nfs/dbraw/zinc/92/20/95/1047922095.db2.gz VZIYAMYJMSEPPI-LBPRGKRZSA-N 1 0 314.271 4.078 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001183442753 1047927193 /nfs/dbraw/zinc/92/71/93/1047927193.db2.gz FZAZGSHMANWPQY-PMACEKPBSA-N 1 0 300.490 4.294 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1ccccc1OC1CC[NH2+]CC1 ZINC001159806037 1047927954 /nfs/dbraw/zinc/92/79/54/1047927954.db2.gz VBKFRBCTJJQWCO-UHFFFAOYSA-N 1 0 321.424 4.050 20 30 DIEDRO CC[C@@H](OCC[N@H+](C)Cc1cc(C#N)cs1)c1ccccc1 ZINC001198203216 1047933964 /nfs/dbraw/zinc/93/39/64/1047933964.db2.gz XWFKYPAAEIWZTK-GOSISDBHSA-N 1 0 314.454 4.219 20 30 DIEDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000072670755 1047935230 /nfs/dbraw/zinc/93/52/30/1047935230.db2.gz LMAJUZAOFYNNLO-QGZVFWFLSA-N 1 0 321.468 4.450 20 30 DIEDRO Cc1cc(Nc2sc(Cc3ccccc3)cc2C#N)cc[nH+]1 ZINC001174651448 1047936210 /nfs/dbraw/zinc/93/62/10/1047936210.db2.gz JJEMQIONVYVDCP-UHFFFAOYSA-N 1 0 305.406 4.080 20 30 DIEDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1CCOc1ccccc1C#N ZINC001198289931 1047941218 /nfs/dbraw/zinc/94/12/18/1047941218.db2.gz WWFQBVLLSBOIBV-LJQANCHMSA-N 1 0 320.436 4.205 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001198271946 1047943177 /nfs/dbraw/zinc/94/31/77/1047943177.db2.gz YVSKSYYGYIUNRS-MRXNPFEDSA-N 1 0 308.263 4.422 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(C(F)F)cc3)sc2C1 ZINC001174711455 1047950440 /nfs/dbraw/zinc/95/04/40/1047950440.db2.gz NBECELPRVKIXCA-UHFFFAOYSA-N 1 0 319.380 4.289 20 30 DIEDRO N#Cc1ccc(Oc2ccc(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC001159920939 1047951401 /nfs/dbraw/zinc/95/14/01/1047951401.db2.gz VUUQEUWCAAHOMF-SJORKVTESA-N 1 0 317.392 4.171 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC001198414081 1047953301 /nfs/dbraw/zinc/95/33/01/1047953301.db2.gz AAHGRGGJXQYUNL-QGZVFWFLSA-N 1 0 311.425 4.340 20 30 DIEDRO C=CCC[C@H]1CCC[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC001198414522 1047953803 /nfs/dbraw/zinc/95/38/03/1047953803.db2.gz VFQYOEWVMALXOY-ZDUSSCGKSA-N 1 0 323.396 4.012 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001183673384 1047955441 /nfs/dbraw/zinc/95/54/41/1047955441.db2.gz QYBWFBYDTQUTLT-MRXNPFEDSA-N 1 0 324.509 4.358 20 30 DIEDRO CC[N@H+](Cc1c(C)cc(C)nc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000553862746 1047956273 /nfs/dbraw/zinc/95/62/73/1047956273.db2.gz GKDUTUQXCPHDFU-MRXNPFEDSA-N 1 0 323.440 4.162 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C)c1cccc(C#N)c1 ZINC001183802787 1047968640 /nfs/dbraw/zinc/96/86/40/1047968640.db2.gz XPAYCJQZSFQSFX-YSSFQJQWSA-N 1 0 320.436 4.455 20 30 DIEDRO Cc1ccc(C#N)c(Nc2ccc(CC3CC[NH2+]CC3)cc2)c1 ZINC001160019518 1047969567 /nfs/dbraw/zinc/96/95/67/1047969567.db2.gz IBUHCHZGGACJLL-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO Cc1c(C#N)cccc1Nc1ccc(CC2CC[NH2+]CC2)cc1 ZINC001160019713 1047969577 /nfs/dbraw/zinc/96/95/77/1047969577.db2.gz LCRYHUOKHNPSTE-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000774687351 1047970345 /nfs/dbraw/zinc/97/03/45/1047970345.db2.gz NQHUXIXBIBUSJA-BBWFWOEESA-N 1 0 324.509 4.356 20 30 DIEDRO CCCCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC001174781280 1047971825 /nfs/dbraw/zinc/97/18/25/1047971825.db2.gz WDLIMCBYNHMMCR-RTBURBONSA-N 1 0 300.446 4.026 20 30 DIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1cnn(CC2CCC2)c1 ZINC001198551559 1047977601 /nfs/dbraw/zinc/97/76/01/1047977601.db2.gz FHWXFXFAFIHLCQ-MRXNPFEDSA-N 1 0 314.477 4.198 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC001183959290 1047986081 /nfs/dbraw/zinc/98/60/81/1047986081.db2.gz QBCHATOADQWONY-CJNGLKHVSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]ccc2c1ccn2C ZINC001160180451 1047988615 /nfs/dbraw/zinc/98/86/15/1047988615.db2.gz ATMMJIKZMFINDF-CQSZACIVSA-N 1 0 307.397 4.311 20 30 DIEDRO CC[C@H](C[N@H+](CC)C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775886995 1047991912 /nfs/dbraw/zinc/99/19/12/1047991912.db2.gz UDRDPPFATCOVRH-WIYYLYMNSA-N 1 0 322.452 4.107 20 30 DIEDRO CNc1ccc(C)cc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001184045048 1047994130 /nfs/dbraw/zinc/99/41/30/1047994130.db2.gz IHULARNDLUSTKL-UHFFFAOYSA-N 1 0 319.452 4.288 20 30 DIEDRO C#Cc1ccc(N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC001184228868 1048013085 /nfs/dbraw/zinc/01/30/85/1048013085.db2.gz MVPLZLRXDBATMT-RBBKRZOGSA-N 1 0 316.448 4.448 20 30 DIEDRO C#Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC001184228866 1048014071 /nfs/dbraw/zinc/01/40/71/1048014071.db2.gz MVPLZLRXDBATMT-IFMALSPDSA-N 1 0 316.448 4.448 20 30 DIEDRO N#Cc1ccc(C=CNc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001160265039 1048016370 /nfs/dbraw/zinc/01/63/70/1048016370.db2.gz HTWBCVCYRJWZRY-RPAADVPWSA-N 1 0 317.436 4.183 20 30 DIEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccc(Br)cc1 ZINC001198943016 1048019520 /nfs/dbraw/zinc/01/95/20/1048019520.db2.gz ONXFMUSGTRUERV-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO Cn1cc(C[NH2+]CCC2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000480025505 1048032589 /nfs/dbraw/zinc/03/25/89/1048032589.db2.gz LZOWQWVAMVDMPK-UHFFFAOYSA-N 1 0 322.456 4.019 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001184397000 1048035184 /nfs/dbraw/zinc/03/51/84/1048035184.db2.gz ASEURMCJCFVKRW-DKWICNMVSA-N 1 0 322.493 4.157 20 30 DIEDRO Cc1cc(C)c(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1C#N ZINC001160360017 1048039464 /nfs/dbraw/zinc/03/94/64/1048039464.db2.gz HBLPFDHZIFTHBL-UHFFFAOYSA-N 1 0 305.425 4.386 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)c(F)c1 ZINC001199152604 1048039482 /nfs/dbraw/zinc/03/94/82/1048039482.db2.gz YQECPEPTXJDTJJ-UHFFFAOYSA-N 1 0 308.400 4.299 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000554308001 1048063167 /nfs/dbraw/zinc/06/31/67/1048063167.db2.gz HHHQNIXSDKKJTP-GOSISDBHSA-N 1 0 324.424 4.159 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000554310111 1048064717 /nfs/dbraw/zinc/06/47/17/1048064717.db2.gz IATYFBMVLPQUFJ-SFHVURJKSA-N 1 0 312.388 4.289 20 30 DIEDRO N#CCc1cccc2c1CC[N@@H+]([C@H]1CCc3cc(Cl)ccc31)C2 ZINC001175060817 1048087329 /nfs/dbraw/zinc/08/73/29/1048087329.db2.gz CXOUYACIWSLHGA-FQEVSTJZSA-N 1 0 322.839 4.452 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNc1nc2ccccc2s1)C(C)C ZINC001184775236 1048092017 /nfs/dbraw/zinc/09/20/17/1048092017.db2.gz IYCQEKUCZPIVDU-INIZCTEOSA-N 1 0 315.486 4.407 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1CNc1cc(F)cc2ccc(Cl)nc21 ZINC001160953548 1048098850 /nfs/dbraw/zinc/09/88/50/1048098850.db2.gz DYGZROOBJZDGDM-AWEZNQCLSA-N 1 0 319.811 4.090 20 30 DIEDRO CC(C)CC[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000776025019 1048102055 /nfs/dbraw/zinc/10/20/55/1048102055.db2.gz LZJYVIOFMJYRRE-ROUUACIJSA-N 1 0 302.462 4.032 20 30 DIEDRO CCC(CC)[NH+]1CCC(Nc2cc(C#N)c3ccccc3n2)CC1 ZINC001161100615 1048111192 /nfs/dbraw/zinc/11/11/92/1048111192.db2.gz KBLHRPPJJYSJIJ-UHFFFAOYSA-N 1 0 322.456 4.171 20 30 DIEDRO CC(C)(C)C[NH+]1CCC(Nc2cc(C#N)c3ccccc3n2)CC1 ZINC001161208642 1048115031 /nfs/dbraw/zinc/11/50/31/1048115031.db2.gz GYGMNCYLGSGWDD-UHFFFAOYSA-N 1 0 322.456 4.029 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC001199907829 1048115104 /nfs/dbraw/zinc/11/51/04/1048115104.db2.gz ZMUSVEHFFHZTCM-YZGWKJHDSA-N 1 0 313.485 4.497 20 30 DIEDRO CC[C@H](C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000480353080 1048125379 /nfs/dbraw/zinc/12/53/79/1048125379.db2.gz BMZMZTQUWZNUNW-UGSOOPFHSA-N 1 0 315.848 4.427 20 30 DIEDRO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000105496489 1048140302 /nfs/dbraw/zinc/14/03/02/1048140302.db2.gz IUJWPDFQTNLPSF-FOIQADDNSA-N 1 0 306.409 4.063 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000774843892 1048148679 /nfs/dbraw/zinc/14/86/79/1048148679.db2.gz PHODXVNGQOTQCR-AWEZNQCLSA-N 1 0 314.816 4.402 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000774845683 1048154251 /nfs/dbraw/zinc/15/42/51/1048154251.db2.gz CXEMRVJYIRYWFP-QGZVFWFLSA-N 1 0 314.816 4.483 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H](C#N)c2ccccc2)nc1 ZINC001161718303 1048158405 /nfs/dbraw/zinc/15/84/05/1048158405.db2.gz UIKGCQHZFWNEHX-VQIMIIECSA-N 1 0 320.440 4.133 20 30 DIEDRO CC[NH+](CC)Cc1cccc(N[C@H](C#N)c2ccccc2)c1F ZINC001161726173 1048162118 /nfs/dbraw/zinc/16/21/18/1048162118.db2.gz WFADBGDVHXQHJB-GOSISDBHSA-N 1 0 311.404 4.344 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1N[C@@H](C#N)c1ccccc1 ZINC001161725257 1048162210 /nfs/dbraw/zinc/16/22/10/1048162210.db2.gz LRTFZIWTYAQSFU-FQEVSTJZSA-N 1 0 323.440 4.214 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1N[C@H](C#N)c1ccccc1 ZINC001161725259 1048162324 /nfs/dbraw/zinc/16/23/24/1048162324.db2.gz LRTFZIWTYAQSFU-HXUWFJFHSA-N 1 0 323.440 4.214 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000480535583 1048169697 /nfs/dbraw/zinc/16/96/97/1048169697.db2.gz KRBZGLOTLLVXDT-SFHVURJKSA-N 1 0 318.848 4.135 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)c1ccc(C#N)cc1 ZINC000554838911 1048204619 /nfs/dbraw/zinc/20/46/19/1048204619.db2.gz AVZPYZCDVZBGOR-AWEZNQCLSA-N 1 0 303.365 4.064 20 30 DIEDRO C[C@H](C[N@H+](C)CCCOc1cccc(C#N)c1)C1CCCCC1 ZINC001175229237 1048205203 /nfs/dbraw/zinc/20/52/03/1048205203.db2.gz MIKINKHQPZXXNJ-QGZVFWFLSA-N 1 0 314.473 4.475 20 30 DIEDRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(OCC#N)cc1 ZINC000776155149 1048237731 /nfs/dbraw/zinc/23/77/31/1048237731.db2.gz ZPVSNAWSYMQKIF-UGSOOPFHSA-N 1 0 312.438 4.452 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000776157806 1048241914 /nfs/dbraw/zinc/24/19/14/1048241914.db2.gz QVSATLIUJSXDMF-QZTJIDSGSA-N 1 0 322.452 4.488 20 30 DIEDRO Cc1cc(C#N)cc(Nc2ccc(CC[NH+]3CCCCC3)cc2)n1 ZINC001162226058 1048245127 /nfs/dbraw/zinc/24/51/27/1048245127.db2.gz IFDUNCFPTLDENG-UHFFFAOYSA-N 1 0 320.440 4.034 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@H](OCC)C12CCCC2)c1ccncc1 ZINC000776159582 1048246823 /nfs/dbraw/zinc/24/68/23/1048246823.db2.gz XWWXDSXKHCVAOP-BZSNNMDCSA-N 1 0 300.446 4.026 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)o1 ZINC000776162180 1048247601 /nfs/dbraw/zinc/24/76/01/1048247601.db2.gz CRRLODNASHIGCG-HOCLYGCPSA-N 1 0 312.413 4.162 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(c3ccc(Cl)cc3)CC1)CC2 ZINC000555000563 1048250454 /nfs/dbraw/zinc/25/04/54/1048250454.db2.gz RNDBGRVVDDVSSR-SFHVURJKSA-N 1 0 308.812 4.478 20 30 DIEDRO C#CCCCC[NH2+]Cc1cc(F)ccc1N(C)C[C@H](C)CC ZINC001201406653 1048252035 /nfs/dbraw/zinc/25/20/35/1048252035.db2.gz FRPPNENKKDMNKZ-MRXNPFEDSA-N 1 0 304.453 4.201 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000776164511 1048253892 /nfs/dbraw/zinc/25/38/92/1048253892.db2.gz IXHUJFLLAPKLEE-DLBZAZTESA-N 1 0 320.436 4.045 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001175312662 1048259417 /nfs/dbraw/zinc/25/94/17/1048259417.db2.gz ZTBXFZCDIWGOOR-RLLQIKCJSA-N 1 0 322.839 4.447 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000776165810 1048261884 /nfs/dbraw/zinc/26/18/84/1048261884.db2.gz WYFGOOFFYKNZJJ-KXBFYZLASA-N 1 0 319.408 4.090 20 30 DIEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000776165312 1048261917 /nfs/dbraw/zinc/26/19/17/1048261917.db2.gz ZUFOEWFSZNSNCO-YWZLYKJASA-N 1 0 322.452 4.240 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000776165806 1048262141 /nfs/dbraw/zinc/26/21/41/1048262141.db2.gz WYFGOOFFYKNZJJ-BEFAXECRSA-N 1 0 319.408 4.090 20 30 DIEDRO N#Cc1ccc(F)cc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC001162352053 1048266264 /nfs/dbraw/zinc/26/62/64/1048266264.db2.gz UWKDLXOPCCPUHC-UHFFFAOYSA-N 1 0 315.436 4.154 20 30 DIEDRO COc1cc(C#N)cc(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001175363534 1048278945 /nfs/dbraw/zinc/27/89/45/1048278945.db2.gz IQOJTRSCBVIYNE-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO N#Cc1cc(F)ccc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175363846 1048278981 /nfs/dbraw/zinc/27/89/81/1048278981.db2.gz ONJVZEJYLSHEEX-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO N#Cc1ccc(F)cc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175367546 1048281317 /nfs/dbraw/zinc/28/13/17/1048281317.db2.gz RDUCMTWNCOSJBB-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO N#Cc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC001175367664 1048281378 /nfs/dbraw/zinc/28/13/78/1048281378.db2.gz RUWDHEQJNAIPKL-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=CCC1([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CCCCC1 ZINC001175372131 1048283509 /nfs/dbraw/zinc/28/35/09/1048283509.db2.gz RKHHTONIKNQUEZ-KBPBESRZSA-N 1 0 305.384 4.355 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001186316249 1048284409 /nfs/dbraw/zinc/28/44/09/1048284409.db2.gz QODCPRVLZOUQLR-LIRRHRJNSA-N 1 0 311.404 4.109 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001186316246 1048284578 /nfs/dbraw/zinc/28/45/78/1048284578.db2.gz QODCPRVLZOUQLR-AUUYWEPGSA-N 1 0 311.404 4.109 20 30 DIEDRO C#CC1(Nc2ccc([C@@H]3CCCC[N@H+]3CC)cn2)CCCCC1 ZINC001162479604 1048285576 /nfs/dbraw/zinc/28/55/76/1048285576.db2.gz JRMPMIHXQSFEEO-SFHVURJKSA-N 1 0 311.473 4.377 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@](C)(C#N)CC(C)C)nc1 ZINC001162520295 1048294955 /nfs/dbraw/zinc/29/49/55/1048294955.db2.gz WMWGNZYNOJAYLP-MJGOQNOKSA-N 1 0 314.477 4.369 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1Cl ZINC000555233971 1048301997 /nfs/dbraw/zinc/30/19/97/1048301997.db2.gz HJGVHTSLDDBTNY-LXTVHRRPSA-N 1 0 320.864 4.456 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC001175435878 1048307167 /nfs/dbraw/zinc/30/71/67/1048307167.db2.gz ABKZLKBJLPVAFQ-UHFFFAOYSA-N 1 0 315.461 4.100 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CC2CCCCC2)cc1 ZINC000775041967 1048326926 /nfs/dbraw/zinc/32/69/26/1048326926.db2.gz WHRMLMDRFJAFME-JKSUJKDBSA-N 1 0 300.446 4.426 20 30 DIEDRO Cc1ccc2c(C3=CC[N@@H+]([C@H]4CC[C@@H](C#N)C4)CC3)c[nH]c2c1 ZINC000555404146 1048339147 /nfs/dbraw/zinc/33/91/47/1048339147.db2.gz BJLAKPQNKDKLDY-WBVHZDCISA-N 1 0 305.425 4.258 20 30 DIEDRO Cc1nc(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC001186756577 1048341538 /nfs/dbraw/zinc/34/15/38/1048341538.db2.gz CQYHPVHXHHGDGI-GOSISDBHSA-N 1 0 323.465 4.018 20 30 DIEDRO N#Cc1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC001175506166 1048343092 /nfs/dbraw/zinc/34/30/92/1048343092.db2.gz XAEXVRCRCMHZOV-UHFFFAOYSA-N 1 0 323.827 4.413 20 30 DIEDRO C=C(C)CN(C)Cc1nc2ccc(Br)cc2s1 ZINC000775051650 1048344388 /nfs/dbraw/zinc/34/43/88/1048344388.db2.gz OXTVKOZNKVUNMY-UHFFFAOYSA-N 1 0 311.248 4.067 20 30 DIEDRO Cc1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)ccc1C#N ZINC001175507474 1048345230 /nfs/dbraw/zinc/34/52/30/1048345230.db2.gz WMYFQUGHLMBEDK-UHFFFAOYSA-N 1 0 303.409 4.068 20 30 DIEDRO CC[N@H+](CCCNc1ncc(C#N)cc1Cl)C1CCCCC1 ZINC001186931775 1048356189 /nfs/dbraw/zinc/35/61/89/1048356189.db2.gz XOZHJMPOQSXAOT-UHFFFAOYSA-N 1 0 320.868 4.063 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001162809690 1048362774 /nfs/dbraw/zinc/36/27/74/1048362774.db2.gz HNSKCLCSDXIJSA-NRFANRHFSA-N 1 0 319.452 4.208 20 30 DIEDRO C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1cccc(C#N)c1 ZINC000600128390 1048370264 /nfs/dbraw/zinc/37/02/64/1048370264.db2.gz APGVNYMHDQDQDJ-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001201762205 1048371604 /nfs/dbraw/zinc/37/16/04/1048371604.db2.gz BHDHZIKCTLWIHN-GUDVDZBRSA-N 1 0 309.494 4.005 20 30 DIEDRO CCCCCCC[N@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001201797667 1048374193 /nfs/dbraw/zinc/37/41/93/1048374193.db2.gz BSNUTYKUEYXPJV-UHFFFAOYSA-N 1 0 300.487 4.194 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CC1)c1ccccc1NC2=O ZINC001201804857 1048374773 /nfs/dbraw/zinc/37/47/73/1048374773.db2.gz VRMACVQQDAOPNN-UHFFFAOYSA-N 1 0 314.473 4.333 20 30 DIEDRO CCCCCCC[N@H+](C)C[C@H]1Cc2cc(OC)c(OC)cc21 ZINC001201797953 1048374821 /nfs/dbraw/zinc/37/48/21/1048374821.db2.gz IJVZWTVEGBROFX-MRXNPFEDSA-N 1 0 305.462 4.246 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@]2(C[C@H](CCOC)CO2)C1 ZINC001201813143 1048376109 /nfs/dbraw/zinc/37/61/09/1048376109.db2.gz BETKIHDJKBASRS-OALUTQOASA-N 1 0 311.510 4.255 20 30 DIEDRO CCCCCCCC[N@H+]1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001201814587 1048376286 /nfs/dbraw/zinc/37/62/86/1048376286.db2.gz QDTMZOUSROEMPV-SFHVURJKSA-N 1 0 321.509 4.199 20 30 DIEDRO CCCCCCCC[N@H+]1Cc2cnn(CC)c2[C@@H](COCC)C1 ZINC001201815154 1048376347 /nfs/dbraw/zinc/37/63/47/1048376347.db2.gz XUULIKFSVZARRK-GOSISDBHSA-N 1 0 321.509 4.199 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(C[C@@H]2C(=O)NC2CCC2)CC1 ZINC001201813159 1048376391 /nfs/dbraw/zinc/37/63/91/1048376391.db2.gz BHVSTGIRAMJGPE-GOSISDBHSA-N 1 0 320.521 4.118 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2nc3ccccc3cc2C#N)c1 ZINC001162899019 1048379563 /nfs/dbraw/zinc/37/95/63/1048379563.db2.gz KRWRWHIZOFXHRA-ZDUSSCGKSA-N 1 0 312.376 4.070 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001201787791 1048379390 /nfs/dbraw/zinc/37/93/90/1048379390.db2.gz MIFLTNQPOBFQSD-GFCCVEGCSA-N 1 0 319.371 4.238 20 30 DIEDRO CCCCCCCCCC[N@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001201852923 1048380614 /nfs/dbraw/zinc/38/06/14/1048380614.db2.gz SGWPNLGRIPOHOZ-SFHVURJKSA-N 1 0 321.509 4.106 20 30 DIEDRO CCCCCCCCC[NH+]1CCC2(CCN(C(C)C)C2=O)CC1 ZINC001201852522 1048381249 /nfs/dbraw/zinc/38/12/49/1048381249.db2.gz BROFLOPBBKPDDT-UHFFFAOYSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CC[C@@H](Nc1nc(N2CCCC2)cc(C)[nH+]1)c1ccccc1 ZINC001162902167 1048381349 /nfs/dbraw/zinc/38/13/49/1048381349.db2.gz KCQVPYZCOQTBBP-QGZVFWFLSA-N 1 0 308.429 4.115 20 30 DIEDRO CCCCCCCCC[NH+]1CCC2(CCN(CC)C2=O)CC1 ZINC001201852833 1048381856 /nfs/dbraw/zinc/38/18/56/1048381856.db2.gz NWPVJXIUXBKEQJ-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@]2(CCCCN2C(C)=O)C1 ZINC001201826463 1048382815 /nfs/dbraw/zinc/38/28/15/1048382815.db2.gz WQOKZUHVZHXPGA-LJQANCHMSA-N 1 0 308.510 4.214 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ncc3ccccc3c2C#N)c1 ZINC001162903976 1048383101 /nfs/dbraw/zinc/38/31/01/1048383101.db2.gz RZGIDVTUKMRGIL-ZDUSSCGKSA-N 1 0 312.376 4.070 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCCCCCCC)C2 ZINC001201826369 1048384022 /nfs/dbraw/zinc/38/40/22/1048384022.db2.gz TZMPVQCXORTJRZ-OALUTQOASA-N 1 0 309.494 4.173 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001201846741 1048388325 /nfs/dbraw/zinc/38/83/25/1048388325.db2.gz KTAMUYFUFKPOAR-IBGZPJMESA-N 1 0 308.510 4.214 20 30 DIEDRO Cc1cccc2[nH]c(C[N@@H+]3CCc4c(CC#N)cccc4C3)cc21 ZINC000600212929 1048388758 /nfs/dbraw/zinc/38/87/58/1048388758.db2.gz LGDQPNZVIJRFKV-UHFFFAOYSA-N 1 0 315.420 4.101 20 30 DIEDRO N#CCSCCC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481394389 1048389703 /nfs/dbraw/zinc/38/97/03/1048389703.db2.gz VKHRKEYXLVAEKK-OAHLLOKOSA-N 1 0 306.450 4.042 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CC(=O)N(CC)C2)CC1 ZINC001201875111 1048393204 /nfs/dbraw/zinc/39/32/04/1048393204.db2.gz PXNVQGPUIWNVNY-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO CCCCCCCCCC[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001201875029 1048393417 /nfs/dbraw/zinc/39/34/17/1048393417.db2.gz OARSWKBSADSZAO-KRWDZBQOSA-N 1 0 321.509 4.106 20 30 DIEDRO Cc1nocc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000555577211 1048393600 /nfs/dbraw/zinc/39/36/00/1048393600.db2.gz DWKXBXYBAKYMHM-AWEZNQCLSA-N 1 0 317.392 4.373 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001201874653 1048394246 /nfs/dbraw/zinc/39/42/46/1048394246.db2.gz BQUAAVSZABNSQQ-QZTJIDSGSA-N 1 0 308.510 4.070 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000555592111 1048396658 /nfs/dbraw/zinc/39/66/58/1048396658.db2.gz MGRMLBLLSGNWCB-HKUYNNGSSA-N 1 0 300.490 4.231 20 30 DIEDRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000555709352 1048425057 /nfs/dbraw/zinc/42/50/57/1048425057.db2.gz XRMDYEJLIMITCU-QGZVFWFLSA-N 1 0 312.457 4.246 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(N[C@H]2C[NH2+]Cc3ccsc32)cc1 ZINC001163228608 1048441208 /nfs/dbraw/zinc/44/12/08/1048441208.db2.gz LPCBJAWILJIVPH-SJORKVTESA-N 1 0 311.454 4.268 20 30 DIEDRO N#CCc1cc2ccccc2c(N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163237966 1048442292 /nfs/dbraw/zinc/44/22/92/1048442292.db2.gz KHKOXSUONLMKEI-SFHVURJKSA-N 1 0 319.433 4.224 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1 ZINC001202084001 1048444100 /nfs/dbraw/zinc/44/41/00/1048444100.db2.gz OZSIGIDFUNYEDT-MOPGFXCFSA-N 1 0 319.489 4.285 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCCSC[C@H]2c2ccccc2)cc1 ZINC001175770060 1048445729 /nfs/dbraw/zinc/44/57/29/1048445729.db2.gz WGXRIOWFNHJLGA-FQEVSTJZSA-N 1 0 322.477 4.433 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C(C)C)CC2)cc1C#N ZINC001202084081 1048445794 /nfs/dbraw/zinc/44/57/94/1048445794.db2.gz RZDAVQXRJLMWFD-WMZOPIPTSA-N 1 0 300.446 4.261 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1ccnc(N(C)C)c1)c1ccccc1 ZINC001175775257 1048449239 /nfs/dbraw/zinc/44/92/39/1048449239.db2.gz PWMIPJSCQNGKFZ-IBGZPJMESA-N 1 0 309.457 4.335 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1)[C@@H]1CCCO1 ZINC001202074245 1048453531 /nfs/dbraw/zinc/45/35/31/1048453531.db2.gz KJKWURQKQTWTID-VXKWHMMOSA-N 1 0 319.448 4.241 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(O)CCCCCC1 ZINC000481680402 1048454763 /nfs/dbraw/zinc/45/47/63/1048454763.db2.gz YXBSYURPPYZTLJ-LJQANCHMSA-N 1 0 312.457 4.001 20 30 DIEDRO C=CCCc1ccccc1NCc1ccc(OCC[NH+](C)C)cc1 ZINC001202126837 1048457305 /nfs/dbraw/zinc/45/73/05/1048457305.db2.gz OJCLLRUFTBURRN-UHFFFAOYSA-N 1 0 324.468 4.358 20 30 DIEDRO CC(C)(CC#N)CNc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899875543 1048460888 /nfs/dbraw/zinc/46/08/88/1048460888.db2.gz WKSPFPFCVYNEDF-UHFFFAOYSA-N 1 0 323.318 4.485 20 30 DIEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1nc2ccccc2cc1C ZINC001163465927 1048474252 /nfs/dbraw/zinc/47/42/52/1048474252.db2.gz JVMDBOCCWZCJNM-UHFFFAOYSA-N 1 0 318.424 4.032 20 30 DIEDRO CCCCCCCC[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001175873079 1048486692 /nfs/dbraw/zinc/48/66/92/1048486692.db2.gz MHBGNJNNCFFGMS-SFHVURJKSA-N 1 0 318.461 4.304 20 30 DIEDRO Cc1cnc(Cl)cc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163684387 1048503861 /nfs/dbraw/zinc/50/38/61/1048503861.db2.gz VDHRCUNZICPEFH-UHFFFAOYSA-N 1 0 313.710 4.099 20 30 DIEDRO CC(C)(C[NH2+]C[C@H](C#N)CCC#N)c1ccc2ccccc2c1 ZINC000600617508 1048505908 /nfs/dbraw/zinc/50/59/08/1048505908.db2.gz KHPBPVKRDNVIBR-INIZCTEOSA-N 1 0 305.425 4.151 20 30 DIEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001175991009 1048520005 /nfs/dbraw/zinc/52/00/05/1048520005.db2.gz APMLDFOTIQJOBL-HNNXBMFYSA-N 1 0 312.388 4.126 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C2CCC2)C2CCC2)cc1OC ZINC001202320831 1048523749 /nfs/dbraw/zinc/52/37/49/1048523749.db2.gz BIBSRNZKNMHAPB-UHFFFAOYSA-N 1 0 315.457 4.318 20 30 DIEDRO C=CCC[C@H](CO)[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC001202381069 1048540096 /nfs/dbraw/zinc/54/00/96/1048540096.db2.gz IQJIIQHCXXQOLD-GFCCVEGCSA-N 1 0 309.862 4.280 20 30 DIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CNc1cccc(CC#N)c1 ZINC001202435965 1048552783 /nfs/dbraw/zinc/55/27/83/1048552783.db2.gz NUJMWXGQWVJJJS-UHFFFAOYSA-N 1 0 321.468 4.323 20 30 DIEDRO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000775203830 1048559184 /nfs/dbraw/zinc/55/91/84/1048559184.db2.gz IHPLDABZOATOSH-QZTJIDSGSA-N 1 0 322.452 4.349 20 30 DIEDRO CC#CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000482159985 1048565540 /nfs/dbraw/zinc/56/55/40/1048565540.db2.gz ZRGPBFSOSOSXLF-UHFFFAOYSA-N 1 0 315.420 4.042 20 30 DIEDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000107320017 1048579986 /nfs/dbraw/zinc/57/99/86/1048579986.db2.gz ACDCEPHGLKIKHU-DLBZAZTESA-N 1 0 308.425 4.445 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]CCCOc2ccc(C#N)cc2)c1 ZINC000775211304 1048582248 /nfs/dbraw/zinc/58/22/48/1048582248.db2.gz CTGIPTIASINJJZ-MRXNPFEDSA-N 1 0 324.424 4.077 20 30 DIEDRO CC(C)[N@@H+](CC#Cc1ccccc1Cl)CCc1nccs1 ZINC000159737348 1048594211 /nfs/dbraw/zinc/59/42/11/1048594211.db2.gz FQXNNOZWZKONDZ-UHFFFAOYSA-N 1 0 318.873 4.101 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)cc1 ZINC001202475013 1048597117 /nfs/dbraw/zinc/59/71/17/1048597117.db2.gz NJFWTOFVCFTTQG-UHFFFAOYSA-N 1 0 306.796 4.159 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1cccc2ccccc21 ZINC001176219460 1048607176 /nfs/dbraw/zinc/60/71/76/1048607176.db2.gz YIPDTIBHIKUADD-HXUWFJFHSA-N 1 0 301.393 4.347 20 30 DIEDRO N#Cc1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c(F)c1F ZINC001176199670 1048615642 /nfs/dbraw/zinc/61/56/42/1048615642.db2.gz ZWTMOVBNPAEVAH-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO C[C@H](COCC1CCCCC1)[NH2+]Cc1ccc(Cl)cc1C#N ZINC001176344475 1048636517 /nfs/dbraw/zinc/63/65/17/1048636517.db2.gz DILGWBOVOSZJQH-CQSZACIVSA-N 1 0 320.864 4.287 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CCOCC1 ZINC000850368372 1048640835 /nfs/dbraw/zinc/64/08/35/1048640835.db2.gz LPYXMZUDEYYRQH-UHFFFAOYSA-N 1 0 315.457 4.005 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000482638514 1048650751 /nfs/dbraw/zinc/65/07/51/1048650751.db2.gz QFJMPCVSEFBPFZ-JOCHJYFZSA-N 1 0 320.480 4.210 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000482631729 1048651126 /nfs/dbraw/zinc/65/11/26/1048651126.db2.gz OQQZKMDKKFFANP-KRWDZBQOSA-N 1 0 312.501 4.257 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccccc1 ZINC000850447791 1048660787 /nfs/dbraw/zinc/66/07/87/1048660787.db2.gz JTZJPWNEFHJGSO-OXJNMPFZSA-N 1 0 305.421 4.427 20 30 DIEDRO C=C(C)CN(CC)c1ccc([C@H]2CCCC[N@H+]2CCC)cn1 ZINC001165140864 1048661377 /nfs/dbraw/zinc/66/13/77/1048661377.db2.gz CTUFMMUOKVIXFJ-GOSISDBHSA-N 1 0 301.478 4.421 20 30 DIEDRO C#CC[N@@H+](CCc1csc(C)n1)[C@@H]1CCCc2ccccc21 ZINC001176452250 1048687991 /nfs/dbraw/zinc/68/79/91/1048687991.db2.gz IUDJVORUPSCHBQ-LJQANCHMSA-N 1 0 310.466 4.007 20 30 DIEDRO C#CC[N@@H+](CCc1ncc(C)cc1C)[C@H]1CCCc2ccccc21 ZINC001176453388 1048688097 /nfs/dbraw/zinc/68/80/97/1048688097.db2.gz SXFVVAFAGJSIOD-QFIPXVFZSA-N 1 0 318.464 4.254 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000237535294 1048698998 /nfs/dbraw/zinc/69/89/98/1048698998.db2.gz DTESFFLUOFPTCE-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC001205496670 1048702006 /nfs/dbraw/zinc/70/20/06/1048702006.db2.gz KPATXAZBFJMLGA-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775361170 1048703842 /nfs/dbraw/zinc/70/38/42/1048703842.db2.gz AWSZRFUWCBDJFG-MRXNPFEDSA-N 1 0 310.441 4.168 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC001206706393 1048707115 /nfs/dbraw/zinc/70/71/15/1048707115.db2.gz AXZSKMXMCJGDQX-ZDUSSCGKSA-N 1 0 311.372 4.275 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCOc1ccccc1F ZINC000775369373 1048711576 /nfs/dbraw/zinc/71/15/76/1048711576.db2.gz AEDJMWFOEPVBAE-IBGZPJMESA-N 1 0 324.399 4.133 20 30 DIEDRO CC(C)(Nc1ccc(C2([NH3+])CCC2)cc1)c1ccc(C#N)cc1 ZINC001165753044 1048714075 /nfs/dbraw/zinc/71/40/75/1048714075.db2.gz QKEVWXVPWYYYAR-UHFFFAOYSA-N 1 0 305.425 4.243 20 30 DIEDRO CCc1nc(C)c([C@@H](C)N(C)Cc2cc(F)ccc2C#N)s1 ZINC000160586327 1048715943 /nfs/dbraw/zinc/71/59/43/1048715943.db2.gz WQFCRAJQMKVWHN-GFCCVEGCSA-N 1 0 317.433 4.218 20 30 DIEDRO CC(C)(Nc1ccc([C@@H]2CCC[NH2+]C2)cc1)c1ccc(C#N)cc1 ZINC001165792459 1048718008 /nfs/dbraw/zinc/71/80/08/1048718008.db2.gz WQNDGFQXDDKEIR-GOSISDBHSA-N 1 0 319.452 4.372 20 30 DIEDRO CC(C)[NH+](CCSCCCOc1cccc(C#N)c1)C(C)C ZINC001165933437 1048724623 /nfs/dbraw/zinc/72/46/23/1048724623.db2.gz OWKKCPGCMXVTIE-UHFFFAOYSA-N 1 0 320.502 4.179 20 30 DIEDRO N#Cc1cc(Nc2cc[nH+]cc2Oc2ccccc2)ccc1F ZINC001176611569 1048735496 /nfs/dbraw/zinc/73/54/96/1048735496.db2.gz UZLCQBMNEKKGIM-UHFFFAOYSA-N 1 0 305.312 4.050 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001190466507 1048743566 /nfs/dbraw/zinc/74/35/66/1048743566.db2.gz YZCSGIDFUKUKNI-HXUWFJFHSA-N 1 0 308.400 4.213 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001190466506 1048744003 /nfs/dbraw/zinc/74/40/03/1048744003.db2.gz YZCSGIDFUKUKNI-FQEVSTJZSA-N 1 0 308.400 4.213 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000775396257 1048754370 /nfs/dbraw/zinc/75/43/70/1048754370.db2.gz VIBIVTSSNCPXJM-AZUAARDMSA-N 1 0 305.425 4.318 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(Br)cc1 ZINC000160801650 1048757451 /nfs/dbraw/zinc/75/74/51/1048757451.db2.gz IEVQMWRMSVBEEG-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1F ZINC001190616841 1048758446 /nfs/dbraw/zinc/75/84/46/1048758446.db2.gz SXKFQRFHHGNXKY-UHFFFAOYSA-N 1 0 314.379 4.495 20 30 DIEDRO CC(C)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001190616793 1048759619 /nfs/dbraw/zinc/75/96/19/1048759619.db2.gz SHNLBCHGUAYJHV-UHFFFAOYSA-N 1 0 323.396 4.125 20 30 DIEDRO COc1ccc2nc(N(C)Cc3ccc(C#N)cc3)cc(C)c2c1 ZINC001166539910 1048760583 /nfs/dbraw/zinc/76/05/83/1048760583.db2.gz XMAMBGWLUXBZCJ-UHFFFAOYSA-N 1 0 317.392 4.060 20 30 DIEDRO C=CC[N@H+](Cc1cccc(Br)c1Cl)C(C)C ZINC001190588555 1048762537 /nfs/dbraw/zinc/76/25/37/1048762537.db2.gz AJZWFNDAQXYZFI-UHFFFAOYSA-N 1 0 302.643 4.499 20 30 DIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000483258183 1048763833 /nfs/dbraw/zinc/76/38/33/1048763833.db2.gz SQEWZFVERACVEN-UXHICEINSA-N 1 0 307.441 4.055 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(C)nc2ccccc12)c1ccccc1 ZINC000775400009 1048765182 /nfs/dbraw/zinc/76/51/82/1048765182.db2.gz LGQHDGYDSYPLRE-HXUWFJFHSA-N 1 0 300.405 4.397 20 30 DIEDRO COC1(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCCCC1 ZINC000483262464 1048767065 /nfs/dbraw/zinc/76/70/65/1048767065.db2.gz AQVUIKXPCIZSTC-OALUTQOASA-N 1 0 312.457 4.107 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1OC ZINC001190626674 1048768013 /nfs/dbraw/zinc/76/80/13/1048768013.db2.gz BMWBXEBXQYGLTN-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483279725 1048769280 /nfs/dbraw/zinc/76/92/80/1048769280.db2.gz IFTLTACKAPJGAJ-KGLIPLIRSA-N 1 0 315.848 4.174 20 30 DIEDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000483293354 1048769532 /nfs/dbraw/zinc/76/95/32/1048769532.db2.gz VFBYUMNDPIVTBU-HXUWFJFHSA-N 1 0 307.441 4.357 20 30 DIEDRO CCC(CC)CN(CCC#N)Cc1ccc(Br)o1 ZINC000483281936 1048773535 /nfs/dbraw/zinc/77/35/35/1048773535.db2.gz OMJVSAUNVVILAG-UHFFFAOYSA-N 1 0 313.239 4.194 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@H+](CC2CC2)C2CCC2)c1 ZINC000483316956 1048776188 /nfs/dbraw/zinc/77/61/88/1048776188.db2.gz WFRQMMNSOIOQCE-UHFFFAOYSA-N 1 0 319.246 4.085 20 30 DIEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000775407255 1048779686 /nfs/dbraw/zinc/77/96/86/1048779686.db2.gz CXEOOHNJRPUCSS-LEWJYISDSA-N 1 0 322.452 4.277 20 30 DIEDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000775408920 1048781837 /nfs/dbraw/zinc/78/18/37/1048781837.db2.gz XQTKQKOBAWKLPC-YWZLYKJASA-N 1 0 306.409 4.002 20 30 DIEDRO CCC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001176782716 1048787106 /nfs/dbraw/zinc/78/71/06/1048787106.db2.gz MVRDAOWWHRHKTR-AWEZNQCLSA-N 1 0 307.235 4.085 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000038003369 1048814320 /nfs/dbraw/zinc/81/43/20/1048814320.db2.gz ZMUJIPWOBYYADI-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO Cc1ccccc1[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000483390891 1048787891 /nfs/dbraw/zinc/78/78/91/1048787891.db2.gz HCSVRJWKVMUCKN-QGZVFWFLSA-N 1 0 320.436 4.471 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001176771796 1048788624 /nfs/dbraw/zinc/78/86/24/1048788624.db2.gz VRSZYTYHBXKVMU-SJORKVTESA-N 1 0 318.848 4.264 20 30 DIEDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000483403179 1048788636 /nfs/dbraw/zinc/78/86/36/1048788636.db2.gz HPLCHYOSHPXKET-LJQANCHMSA-N 1 0 312.363 4.000 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001176813657 1048791897 /nfs/dbraw/zinc/79/18/97/1048791897.db2.gz GVEUHELHTSIVLE-LPHOPBHVSA-N 1 0 324.509 4.336 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1cccc2ccccc21 ZINC001176823629 1048792209 /nfs/dbraw/zinc/79/22/09/1048792209.db2.gz LKWPLQKSLIQSKI-MRXNPFEDSA-N 1 0 316.404 4.441 20 30 DIEDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000483415065 1048792614 /nfs/dbraw/zinc/79/26/14/1048792614.db2.gz ZPHFNNMMPFVFGG-IBGZPJMESA-N 1 0 312.363 4.000 20 30 DIEDRO C=C(C)CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001190846999 1048793869 /nfs/dbraw/zinc/79/38/69/1048793869.db2.gz NAUPSAHQTYNEPW-UHFFFAOYSA-N 1 0 302.245 4.144 20 30 DIEDRO C=CCCC[N@@H+](CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001190855992 1048796354 /nfs/dbraw/zinc/79/63/54/1048796354.db2.gz WYAXNIVESVKCJQ-HXUWFJFHSA-N 1 0 300.490 4.329 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190864224 1048796811 /nfs/dbraw/zinc/79/68/11/1048796811.db2.gz FJHFTFSRFZGTHV-ZIAGYGMSSA-N 1 0 311.347 4.200 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001176904010 1048806553 /nfs/dbraw/zinc/80/65/53/1048806553.db2.gz MIHYKNWHMNNPPF-ZWKOTPCHSA-N 1 0 308.510 4.212 20 30 DIEDRO CC[C@H]1c2ccsc2CCN1Cc1ccc(C#N)c(F)c1 ZINC000483510823 1048808097 /nfs/dbraw/zinc/80/80/97/1048808097.db2.gz ABMUKGACCHBPML-INIZCTEOSA-N 1 0 300.402 4.268 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)CC1CCCCC1 ZINC001190983284 1048811657 /nfs/dbraw/zinc/81/16/57/1048811657.db2.gz AWDPEIJLFCMKLD-UHFFFAOYSA-N 1 0 319.420 4.181 20 30 DIEDRO C[C@H]([NH2+]CCOC(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000851919668 1048813167 /nfs/dbraw/zinc/81/31/67/1048813167.db2.gz MKYFMTGRNOUDRP-ZDUSSCGKSA-N 1 0 316.351 4.115 20 30 DIEDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000851919733 1048814318 /nfs/dbraw/zinc/81/43/18/1048814318.db2.gz ODUNXFBOPSJXTK-IPHXSNPTSA-N 1 0 320.436 4.443 20 30 DIEDRO N#Cc1ccc(CN(Cc2ccc(F)cc2F)C2CC2)cc1F ZINC000483525461 1048814376 /nfs/dbraw/zinc/81/43/76/1048814376.db2.gz GTTPBUMOVGJAQM-UHFFFAOYSA-N 1 0 316.326 4.140 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1F ZINC000483540567 1048814905 /nfs/dbraw/zinc/81/49/05/1048814905.db2.gz YOXBCYWJRNZABE-GOSISDBHSA-N 1 0 312.363 4.044 20 30 DIEDRO CCc1ccc2c(c1)CC[N@@H+](Cc1c(C)cc(C#N)cc1C)C2 ZINC001177008653 1048815342 /nfs/dbraw/zinc/81/53/42/1048815342.db2.gz MYDJFUCMAHXBDO-UHFFFAOYSA-N 1 0 304.437 4.296 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCCC2CCCC2)cc1OC ZINC001177060958 1048819517 /nfs/dbraw/zinc/81/95/17/1048819517.db2.gz FOWTXELZDJPZDR-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000852099106 1048821831 /nfs/dbraw/zinc/82/18/31/1048821831.db2.gz DTDXWICVLRVYHN-HXUWFJFHSA-N 1 0 314.473 4.263 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC001177127507 1048826120 /nfs/dbraw/zinc/82/61/20/1048826120.db2.gz FAWSOXBCIGLBBZ-UYAOXDASSA-N 1 0 323.484 4.383 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483651224 1048829074 /nfs/dbraw/zinc/82/90/74/1048829074.db2.gz JONFQSKMWNASFL-FPMFFAJLSA-N 1 0 317.408 4.435 20 30 DIEDRO C[C@@H]1SCC[N@H+](CC2CCC(C#N)CC2)[C@@H]1c1ccccc1 ZINC001191030875 1048830008 /nfs/dbraw/zinc/83/00/08/1048830008.db2.gz SBTQSPXEOCEOHK-LOTPSLMQSA-N 1 0 314.498 4.495 20 30 DIEDRO CC[C@@H](c1ccc(F)cc1)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328464 1048832300 /nfs/dbraw/zinc/83/23/00/1048832300.db2.gz FSFXMKXSXXNXFN-ICSRJNTNSA-N 1 0 323.415 4.229 20 30 DIEDRO CC[C@@H](c1ccccc1)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328621 1048833694 /nfs/dbraw/zinc/83/36/94/1048833694.db2.gz JFNUTDAJGALXIE-ICSRJNTNSA-N 1 0 305.425 4.090 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccccc1C1CC1 ZINC001177132643 1048834475 /nfs/dbraw/zinc/83/44/75/1048834475.db2.gz JWMIQCWUPCTMML-UHFFFAOYSA-N 1 0 322.477 4.459 20 30 DIEDRO Cc1cccc([C@H](C)N2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852328850 1048834779 /nfs/dbraw/zinc/83/47/79/1048834779.db2.gz OGVCGTRCLZEKAF-FXAWDEMLSA-N 1 0 305.425 4.008 20 30 DIEDRO CCN(C)c1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000852354102 1048837647 /nfs/dbraw/zinc/83/76/47/1048837647.db2.gz XSPOHUNKTRBBNQ-UHFFFAOYSA-N 1 0 307.441 4.039 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000852412221 1048838841 /nfs/dbraw/zinc/83/88/41/1048838841.db2.gz ZQDSMMGTKWDAKO-CVEARBPZSA-N 1 0 311.429 4.394 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1OC ZINC001177161617 1048841435 /nfs/dbraw/zinc/84/14/35/1048841435.db2.gz CTNHWTFGSDZDQU-UHFFFAOYSA-N 1 0 323.845 4.265 20 30 DIEDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001191078715 1048842174 /nfs/dbraw/zinc/84/21/74/1048842174.db2.gz VFFICDLHDCOSMJ-LJQANCHMSA-N 1 0 308.400 4.213 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC001177213800 1048845316 /nfs/dbraw/zinc/84/53/16/1048845316.db2.gz KKLZRNRQCDGFLJ-UHFFFAOYSA-N 1 0 308.425 4.252 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(SC(=O)N(C)C)c1)C(C)(C)C ZINC000852554326 1048847358 /nfs/dbraw/zinc/84/73/58/1048847358.db2.gz JCEJLTGDPJSTBH-UHFFFAOYSA-N 1 0 306.475 4.247 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]C1CCC2(CCC2)CC1)C(C)C ZINC001177225455 1048848927 /nfs/dbraw/zinc/84/89/27/1048848927.db2.gz AYOWOMKXRBKDHT-IBGZPJMESA-N 1 0 304.522 4.388 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(Cl)ccc2OCC#N)CCCC1 ZINC000852588750 1048851938 /nfs/dbraw/zinc/85/19/38/1048851938.db2.gz YJPXREUFRMHJMT-UHFFFAOYSA-N 1 0 304.821 4.221 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1cccc(OC(F)(F)F)c1 ZINC000776605341 1048852775 /nfs/dbraw/zinc/85/27/75/1048852775.db2.gz KOZPBGZPYZCDFO-LLVKDONJSA-N 1 0 300.324 4.176 20 30 DIEDRO Cc1cccc(C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)c1 ZINC000483736972 1048853675 /nfs/dbraw/zinc/85/36/75/1048853675.db2.gz ZSWMQRRRRVXAKP-FQEVSTJZSA-N 1 0 308.400 4.117 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852782536 1048860956 /nfs/dbraw/zinc/86/09/56/1048860956.db2.gz VBODYHSTPUIBMR-HNNXBMFYSA-N 1 0 306.409 4.043 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc2c(c1)CCCO2 ZINC000852782984 1048861414 /nfs/dbraw/zinc/86/14/14/1048861414.db2.gz XXJUOAOGIMNWGY-HNNXBMFYSA-N 1 0 300.446 4.382 20 30 DIEDRO N#Cc1ccc(C=CNc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC001203305420 1048862548 /nfs/dbraw/zinc/86/25/48/1048862548.db2.gz GCOQLOUOBDAAEE-ACCUITESSA-N 1 0 317.436 4.279 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000483824888 1048864497 /nfs/dbraw/zinc/86/44/97/1048864497.db2.gz SQIXATHKLUYMQO-GOSISDBHSA-N 1 0 312.501 4.127 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773658039 1048876337 /nfs/dbraw/zinc/87/63/37/1048876337.db2.gz FJPPYGZYQVFPMA-CQSZACIVSA-N 1 0 323.827 4.457 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)cc1 ZINC000853095905 1048882535 /nfs/dbraw/zinc/88/25/35/1048882535.db2.gz DZVHEDQMWZFWBI-GFCCVEGCSA-N 1 0 314.351 4.046 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1F ZINC000483979709 1048889247 /nfs/dbraw/zinc/88/92/47/1048889247.db2.gz MBKIWONTHCRNAA-MRXNPFEDSA-N 1 0 314.791 4.340 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCCO2 ZINC000853241328 1048891828 /nfs/dbraw/zinc/89/18/28/1048891828.db2.gz LDKGDHXJBGBUSV-VLIAUNLRSA-N 1 0 318.420 4.221 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCCO2 ZINC000853241329 1048891979 /nfs/dbraw/zinc/89/19/79/1048891979.db2.gz LDKGDHXJBGBUSV-XOBRGWDASA-N 1 0 318.420 4.221 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC001203447916 1048903407 /nfs/dbraw/zinc/90/34/07/1048903407.db2.gz SCQVVLTYHQAGJW-LEWJYISDSA-N 1 0 304.437 4.055 20 30 DIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC001191233271 1048905894 /nfs/dbraw/zinc/90/58/94/1048905894.db2.gz MKFKQWSAEVPYQJ-UXHICEINSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)[C@@H](c2ccccc2)CO1 ZINC001191234509 1048906417 /nfs/dbraw/zinc/90/64/17/1048906417.db2.gz VEYXLNRQGRQXAY-PKOBYXMFSA-N 1 0 312.457 4.313 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000853526722 1048908080 /nfs/dbraw/zinc/90/80/80/1048908080.db2.gz XPWDCRQBBOTRGJ-AWEZNQCLSA-N 1 0 324.424 4.143 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cc(OC)cnc1F)c1ccccc1 ZINC001203496054 1048914952 /nfs/dbraw/zinc/91/49/52/1048914952.db2.gz DLJIUPJXZVSIAX-GOSISDBHSA-N 1 0 314.404 4.417 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000163522468 1048916505 /nfs/dbraw/zinc/91/65/05/1048916505.db2.gz MJXMQPJISQJZSX-OAHLLOKOSA-N 1 0 312.251 4.083 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001191342122 1048920671 /nfs/dbraw/zinc/92/06/71/1048920671.db2.gz OVIRXKVTRVKEAZ-HNNXBMFYSA-N 1 0 308.372 4.170 20 30 DIEDRO COc1ccc2c(Nc3ccc(F)c(CC#N)c3)cc[nH+]c2c1 ZINC001203530018 1048923338 /nfs/dbraw/zinc/92/33/38/1048923338.db2.gz NLTNFBKUAGVIIE-UHFFFAOYSA-N 1 0 307.328 4.192 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)cc1 ZINC001177631136 1048926521 /nfs/dbraw/zinc/92/65/21/1048926521.db2.gz AGOOAYBDEDGZMW-QGZVFWFLSA-N 1 0 307.437 4.155 20 30 DIEDRO CC(C)[C@@](C)([NH2+]CCCC#N)c1ccc(Br)cc1 ZINC000484331738 1048927374 /nfs/dbraw/zinc/92/73/74/1048927374.db2.gz PNGQUSIMZMSOTP-OAHLLOKOSA-N 1 0 309.251 4.214 20 30 DIEDRO Oc1cccc2c1CCC[C@H]2[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000484325856 1048927625 /nfs/dbraw/zinc/92/76/25/1048927625.db2.gz YKGRZLUNPHAWIY-GOSISDBHSA-N 1 0 311.812 4.064 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)CC1 ZINC001177683688 1048930245 /nfs/dbraw/zinc/93/02/45/1048930245.db2.gz PEAXUOBKOPSQQJ-FBBABVLZSA-N 1 0 312.501 4.199 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC001177729470 1048932881 /nfs/dbraw/zinc/93/28/81/1048932881.db2.gz PJPRJEQNWSNURZ-SJORKVTESA-N 1 0 324.509 4.356 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c1 ZINC001177712489 1048937160 /nfs/dbraw/zinc/93/71/60/1048937160.db2.gz JXBOIYFYGUQJPB-INIZCTEOSA-N 1 0 311.425 4.068 20 30 DIEDRO C[C@]1(CCc2ccccc2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001191445807 1048946184 /nfs/dbraw/zinc/94/61/84/1048946184.db2.gz WWMGAOFDXTWXSY-IBGZPJMESA-N 1 0 310.466 4.465 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)CC1CCCCC1 ZINC000484482837 1048951521 /nfs/dbraw/zinc/95/15/21/1048951521.db2.gz AQBGEMULYIPFKF-UHFFFAOYSA-N 1 0 314.473 4.310 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC001191539876 1048960559 /nfs/dbraw/zinc/96/05/59/1048960559.db2.gz HZMMEOIQZUCWAI-UHFFFAOYSA-N 1 0 303.494 4.263 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)C1 ZINC001177924263 1048960739 /nfs/dbraw/zinc/96/07/39/1048960739.db2.gz HTCGNWXAWBPSPG-HZPDHXFCSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc2nsnc21)c1ccccc1 ZINC000775463382 1048961045 /nfs/dbraw/zinc/96/10/45/1048961045.db2.gz LIXJZVVCIQXGAL-MRXNPFEDSA-N 1 0 309.438 4.488 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cc2cccs2)cc1 ZINC000776726214 1048962311 /nfs/dbraw/zinc/96/23/11/1048962311.db2.gz VUUXITAHPAZKTH-JKSUJKDBSA-N 1 0 313.466 4.290 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000776733741 1048968413 /nfs/dbraw/zinc/96/84/13/1048968413.db2.gz XYYYIIGFYAVMPA-CHWSQXEVSA-N 1 0 300.352 4.291 20 30 DIEDRO C=CC[N@@H+](CCCCCn1cc(C)cn1)CC1CCCCC1 ZINC000484542687 1048970594 /nfs/dbraw/zinc/97/05/94/1048970594.db2.gz NPAOKVAQDCFXQH-UHFFFAOYSA-N 1 0 303.494 4.430 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000854500722 1048976754 /nfs/dbraw/zinc/97/67/54/1048976754.db2.gz RLBPVFDTGNHJJK-GOSISDBHSA-N 1 0 322.537 4.317 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000776747437 1048978060 /nfs/dbraw/zinc/97/80/60/1048978060.db2.gz XZXHAZBICVZPJC-QGZVFWFLSA-N 1 0 304.478 4.144 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](CCC=C)c2ccccc2)cc1 ZINC001178249547 1049000533 /nfs/dbraw/zinc/00/05/33/1049000533.db2.gz QPWUUQWPYJABGY-NRFANRHFSA-N 1 0 305.421 4.496 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1c(Cl)ncn1CC)c1ccccc1 ZINC001178249782 1049001312 /nfs/dbraw/zinc/00/13/12/1049001312.db2.gz VDUORPXFEMIIPA-HNNXBMFYSA-N 1 0 303.837 4.354 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cccc2ncccc12)c1ccccc1 ZINC001178244425 1049001989 /nfs/dbraw/zinc/00/19/89/1049001989.db2.gz PFJPVTOBDFLRHX-LJQANCHMSA-N 1 0 301.393 4.369 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1c(Cl)ncn1CC)c1ccccc1 ZINC001178249783 1049002147 /nfs/dbraw/zinc/00/21/47/1049002147.db2.gz VDUORPXFEMIIPA-OAHLLOKOSA-N 1 0 303.837 4.354 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1ccccc1 ZINC001178223013 1049004818 /nfs/dbraw/zinc/00/48/18/1049004818.db2.gz JGZJBKNISQSZME-KRWDZBQOSA-N 1 0 310.784 4.335 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCOc2ccccc2Cl)c1 ZINC001178280772 1049010691 /nfs/dbraw/zinc/01/06/91/1049010691.db2.gz RVRSXOFHISBMQQ-UHFFFAOYSA-N 1 0 317.816 4.073 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000776793231 1049011650 /nfs/dbraw/zinc/01/16/50/1049011650.db2.gz ZAHKQWFHJKMCKF-CBGDNZLLSA-N 1 0 320.436 4.217 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001178304882 1049013856 /nfs/dbraw/zinc/01/38/56/1049013856.db2.gz QOGJKGGPCZCLCS-HNNXBMFYSA-N 1 0 317.864 4.419 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCc1sccc1C ZINC001178321243 1049020886 /nfs/dbraw/zinc/02/08/86/1049020886.db2.gz ACZQYXAZGWZTJX-UHFFFAOYSA-N 1 0 319.857 4.054 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(n3ccc4ccccc43)CC2)cc1 ZINC001203905138 1049028219 /nfs/dbraw/zinc/02/82/19/1049028219.db2.gz SZGWZNBRBJHIOT-UHFFFAOYSA-N 1 0 315.420 4.350 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC001203916734 1049030371 /nfs/dbraw/zinc/03/03/71/1049030371.db2.gz RJVFGKTWUABRNP-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC001203917397 1049031406 /nfs/dbraw/zinc/03/14/06/1049031406.db2.gz NRULLXUHMCCAMK-OAHLLOKOSA-N 1 0 323.415 4.017 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2OC)cc1 ZINC000113315431 1049032074 /nfs/dbraw/zinc/03/20/74/1049032074.db2.gz LZOUMTXNAPESRS-QGZVFWFLSA-N 1 0 323.436 4.257 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000113322776 1049033207 /nfs/dbraw/zinc/03/32/07/1049033207.db2.gz RGNKLFLKYOHRMA-UHFFFAOYSA-N 1 0 305.377 4.125 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc2ncsc2c1 ZINC000776817064 1049044419 /nfs/dbraw/zinc/04/44/19/1049044419.db2.gz YBTOHRVSZWKZBS-CYBMUJFWSA-N 1 0 323.421 4.049 20 30 DIEDRO C[C@@]1(c2ccccc2)C[N@H+](CCCCC2(C#N)CCC2)CCO1 ZINC001192160351 1049045944 /nfs/dbraw/zinc/04/59/44/1049045944.db2.gz UANFBNJMMMUULB-IBGZPJMESA-N 1 0 312.457 4.098 20 30 DIEDRO CSCc1cccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC001178518834 1049050353 /nfs/dbraw/zinc/05/03/53/1049050353.db2.gz BGMJJKJZTIHULC-UHFFFAOYSA-N 1 0 310.466 4.328 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2OC)C1 ZINC001178537172 1049054013 /nfs/dbraw/zinc/05/40/13/1049054013.db2.gz KJWFHLUSKNPOQG-SWLSCSKDSA-N 1 0 324.262 4.292 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC001178584498 1049056923 /nfs/dbraw/zinc/05/69/23/1049056923.db2.gz JAVRMXYYWKEMDW-AWEZNQCLSA-N 1 0 302.443 4.263 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC001178594617 1049059923 /nfs/dbraw/zinc/05/99/23/1049059923.db2.gz IBNQUOCWZGCRFF-RYRKJORJSA-N 1 0 317.473 4.422 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccccc2Br)C1 ZINC001178614046 1049067509 /nfs/dbraw/zinc/06/75/09/1049067509.db2.gz GFSLYYJECXJWNA-ZFWWWQNUSA-N 1 0 308.263 4.326 20 30 DIEDRO C#CCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001178639613 1049071411 /nfs/dbraw/zinc/07/14/11/1049071411.db2.gz DDEXNDORCCTGAD-UHFFFAOYSA-N 1 0 315.363 4.047 20 30 DIEDRO C=C(C)C[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC001178705337 1049076034 /nfs/dbraw/zinc/07/60/34/1049076034.db2.gz UFSFOUKBVFNBIM-UHFFFAOYSA-N 1 0 317.864 4.489 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccccc2F)c1 ZINC000113952531 1049078068 /nfs/dbraw/zinc/07/80/68/1049078068.db2.gz DKKIGJDMODSDMP-GDBMZVCRSA-N 1 0 312.388 4.357 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(C(OC)OC)ccc2F)CCCC1 ZINC001178710119 1049079275 /nfs/dbraw/zinc/07/92/75/1049079275.db2.gz UESGWORLLFHWAA-UHFFFAOYSA-N 1 0 321.436 4.343 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000113960798 1049079465 /nfs/dbraw/zinc/07/94/65/1049079465.db2.gz PKOBIZCKWZXCNU-GMBSWORKSA-N 1 0 324.424 4.374 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000113961338 1049079672 /nfs/dbraw/zinc/07/96/72/1049079672.db2.gz WDYHGUCREBOHRT-QGZVFWFLSA-N 1 0 320.392 4.404 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1C[C@H]1C1CCCC1 ZINC001204088816 1049082162 /nfs/dbraw/zinc/08/21/62/1049082162.db2.gz HNGXKRYQMLNXRZ-CVEARBPZSA-N 1 0 317.860 4.268 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OCC=C)c(Cl)c2)cc1 ZINC001178758609 1049082819 /nfs/dbraw/zinc/08/28/19/1049082819.db2.gz BGIZOCSLQGFPGX-UHFFFAOYSA-N 1 0 311.812 4.176 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(OCCCCCC)c1 ZINC001178762574 1049084495 /nfs/dbraw/zinc/08/44/95/1049084495.db2.gz QVPRYQWMESSBCS-UXHICEINSA-N 1 0 317.473 4.469 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](OC)[C@H](C)CC)cc1Cl ZINC001178766839 1049084864 /nfs/dbraw/zinc/08/48/64/1049084864.db2.gz XQGHYQBWFPYFAY-CXAGYDPISA-N 1 0 311.853 4.056 20 30 DIEDRO C=CCc1cc(C[NH2+]C2(CC)CCCCC2)cc(OC)c1O ZINC001178766630 1049085074 /nfs/dbraw/zinc/08/50/74/1049085074.db2.gz SKVVSMQNJMXFGJ-UHFFFAOYSA-N 1 0 303.446 4.332 20 30 DIEDRO COc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)cc1C#N ZINC001204109694 1049085334 /nfs/dbraw/zinc/08/53/34/1049085334.db2.gz WEMNJBDKPSPFNP-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCC=C(C)C)cc1OC ZINC001178759019 1049086055 /nfs/dbraw/zinc/08/60/55/1049086055.db2.gz RBJWPBOQJUQPTQ-INIZCTEOSA-N 1 0 303.446 4.485 20 30 DIEDRO N#Cc1cc(F)ccc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204118357 1049089004 /nfs/dbraw/zinc/08/90/04/1049089004.db2.gz IXSGMZZLSFHKFA-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC001178794966 1049089196 /nfs/dbraw/zinc/08/91/96/1049089196.db2.gz FPYJVHBWWKYCFO-UHFFFAOYSA-N 1 0 305.315 4.416 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cc(OC)c(O)c(OC)c1 ZINC001204122309 1049089056 /nfs/dbraw/zinc/08/90/56/1049089056.db2.gz YHVNMIGDGUOSMM-UHFFFAOYSA-N 1 0 309.450 4.202 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cc2ccccc2s1 ZINC001178796164 1049090075 /nfs/dbraw/zinc/09/00/75/1049090075.db2.gz UNKAGEXUQKSPFW-UHFFFAOYSA-N 1 0 321.449 4.129 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCOC(C)(C)C)cc1 ZINC000776890655 1049095232 /nfs/dbraw/zinc/09/52/32/1049095232.db2.gz SSEBYLHWARHFRA-AWEZNQCLSA-N 1 0 311.853 4.284 20 30 DIEDRO C=CCCCCC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001192425593 1049096046 /nfs/dbraw/zinc/09/60/46/1049096046.db2.gz BCJSYJKNLBCISQ-UHFFFAOYSA-N 1 0 315.486 4.165 20 30 DIEDRO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1C[C@H]1C ZINC001204169776 1049101920 /nfs/dbraw/zinc/10/19/20/1049101920.db2.gz BALVSUDNDHAGRE-NEPJUHHUSA-N 1 0 312.226 4.232 20 30 DIEDRO CCCCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000856732870 1049102280 /nfs/dbraw/zinc/10/22/80/1049102280.db2.gz GFWBZJCRLCXALX-QZTJIDSGSA-N 1 0 302.462 4.198 20 30 DIEDRO C=CCCCCCCC[NH2+]Cc1cccc2c1OCCCO2 ZINC001178860083 1049104996 /nfs/dbraw/zinc/10/49/96/1049104996.db2.gz RCOHKKMVZZLYCZ-UHFFFAOYSA-N 1 0 303.446 4.464 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CC[C@H](COc3ccccc3)C2)CCC1 ZINC001192490674 1049111265 /nfs/dbraw/zinc/11/12/65/1049111265.db2.gz SEVVCKRCVHUHCW-SFHVURJKSA-N 1 0 312.457 4.251 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cc(F)ccc3F)CC2)cc1 ZINC001204219784 1049113687 /nfs/dbraw/zinc/11/36/87/1049113687.db2.gz AJEVXYLFXCOLCH-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CC=CCC1 ZINC001192482610 1049114489 /nfs/dbraw/zinc/11/44/89/1049114489.db2.gz YVUKKJZXBMBQMS-MRXNPFEDSA-N 1 0 323.358 4.225 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C/C=C\c1cccc(F)c1 ZINC001178971212 1049115963 /nfs/dbraw/zinc/11/59/63/1049115963.db2.gz FXOOMZISFXHXKG-MNKBLEIRSA-N 1 0 306.384 4.378 20 30 DIEDRO C=C(C)CCN(CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001192525263 1049116209 /nfs/dbraw/zinc/11/62/09/1049116209.db2.gz IYRHFIXQOWFGGC-INIZCTEOSA-N 1 0 309.837 4.232 20 30 DIEDRO C#CCC[N@H+]1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1CCC ZINC001192536962 1049116841 /nfs/dbraw/zinc/11/68/41/1049116841.db2.gz OSOKNKHXWBNQQP-KRWDZBQOSA-N 1 0 324.390 4.019 20 30 DIEDRO CN(C)c1ccc(C[NH+]2CCC(C)(C#N)CC2)c2ccccc21 ZINC001204240526 1049119381 /nfs/dbraw/zinc/11/93/81/1049119381.db2.gz WSSJPFXVAZGHEQ-UHFFFAOYSA-N 1 0 307.441 4.031 20 30 DIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCc1ccc(C#N)cc1 ZINC001192585359 1049119761 /nfs/dbraw/zinc/11/97/61/1049119761.db2.gz UGUFZYXJKGGDBF-HXUWFJFHSA-N 1 0 322.452 4.486 20 30 DIEDRO Fc1ccc(C#CC[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)cc1 ZINC001192616106 1049120317 /nfs/dbraw/zinc/12/03/17/1049120317.db2.gz JNPJQJLOQAYYSQ-LJQANCHMSA-N 1 0 315.338 4.196 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]CCCOc1cccc(C#N)c1)C1CC1 ZINC001192594676 1049120337 /nfs/dbraw/zinc/12/03/37/1049120337.db2.gz IXAVLEBSLWNNGV-OAQYLSRUSA-N 1 0 320.436 4.377 20 30 DIEDRO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001179003391 1049121365 /nfs/dbraw/zinc/12/13/65/1049121365.db2.gz ZYHVBOPXYHAMAK-RLFYNMQTSA-N 1 0 317.452 4.090 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001179054167 1049123916 /nfs/dbraw/zinc/12/39/16/1049123916.db2.gz QXTJLQFREHUXKA-UHFFFAOYSA-N 1 0 315.338 4.466 20 30 DIEDRO C=CCOCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001192680929 1049129248 /nfs/dbraw/zinc/12/92/48/1049129248.db2.gz BTWWHTOYHBOSNA-IBGZPJMESA-N 1 0 315.844 4.416 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC001179142343 1049129896 /nfs/dbraw/zinc/12/98/96/1049129896.db2.gz FKPVUOQDVYZVAH-RXVVDRJESA-N 1 0 323.484 4.252 20 30 DIEDRO CCCCCCOc1ccccc1C[NH+]1CCC(C#N)CC1 ZINC001204297426 1049133057 /nfs/dbraw/zinc/13/30/57/1049133057.db2.gz IZDURZUSKHHNNJ-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)cc1 ZINC001204300088 1049134268 /nfs/dbraw/zinc/13/42/68/1049134268.db2.gz JEAOSCQIZLTABZ-NRFANRHFSA-N 1 0 323.436 4.043 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc([Si](C)(C)C)cc2)C1 ZINC001179178359 1049134690 /nfs/dbraw/zinc/13/46/90/1049134690.db2.gz TVUQKIRNNNDXCJ-QZTJIDSGSA-N 1 0 301.550 4.109 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)Cc2cccc3cccnc32)cc1 ZINC001204300352 1049134971 /nfs/dbraw/zinc/13/49/71/1049134971.db2.gz PZLWDMJZBGBHBH-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC3(CCOC3(C)C)CC2)cc1 ZINC001204302537 1049135078 /nfs/dbraw/zinc/13/50/78/1049135078.db2.gz MGHANSJODLFSTJ-UHFFFAOYSA-N 1 0 315.457 4.033 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC001204299922 1049135127 /nfs/dbraw/zinc/13/51/27/1049135127.db2.gz FCUYABTZVJIZKK-SFHVURJKSA-N 1 0 308.425 4.026 20 30 DIEDRO CCc1ccc(C(C)(C)[NH2+]CCOc2cccc(C#N)c2)cc1 ZINC001192719436 1049136697 /nfs/dbraw/zinc/13/66/97/1049136697.db2.gz NUPCJZRRIVJPKQ-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO CCCCCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001204316868 1049140597 /nfs/dbraw/zinc/14/05/97/1049140597.db2.gz WMDFWGNQVJIOLJ-QGZVFWFLSA-N 1 0 300.446 4.381 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CCC)c1cccc(C(F)(F)F)c1 ZINC001192911164 1049149081 /nfs/dbraw/zinc/14/90/81/1049149081.db2.gz ZXCGIFKWQJXFFT-CVEARBPZSA-N 1 0 315.379 4.463 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001192950426 1049152513 /nfs/dbraw/zinc/15/25/13/1049152513.db2.gz IBERBGKXKUQFFU-FJIDUMEYSA-N 1 0 323.525 4.050 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC001204367945 1049152800 /nfs/dbraw/zinc/15/28/00/1049152800.db2.gz BPWRIQSQWHRXCH-UHFFFAOYSA-N 1 0 305.462 4.258 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC001204368002 1049153844 /nfs/dbraw/zinc/15/38/44/1049153844.db2.gz CEKXUZHFAKPPJY-LJQANCHMSA-N 1 0 319.489 4.383 20 30 DIEDRO COc1cccc([C@@H]2CCCCN2Cc2ccccc2C#N)c1 ZINC001204370002 1049153865 /nfs/dbraw/zinc/15/38/65/1049153865.db2.gz MXEXZDDKPMDSEM-FQEVSTJZSA-N 1 0 306.409 4.294 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC001179325036 1049155984 /nfs/dbraw/zinc/15/59/84/1049155984.db2.gz JDXCUSMTEYGJJL-UHFFFAOYSA-N 1 0 307.507 4.002 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)o2)cc1 ZINC001179369549 1049160570 /nfs/dbraw/zinc/16/05/70/1049160570.db2.gz IAPQDHPYSFVCLO-UHFFFAOYSA-N 1 0 311.425 4.269 20 30 DIEDRO C[N@H+](CC#Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC001204441031 1049162819 /nfs/dbraw/zinc/16/28/19/1049162819.db2.gz CBEAVHFXYDAMRB-UHFFFAOYSA-N 1 0 303.327 4.189 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)o1)C(C)C ZINC001204442406 1049164093 /nfs/dbraw/zinc/16/40/93/1049164093.db2.gz XZGPGOIASHJDAJ-UHFFFAOYSA-N 1 0 313.397 4.130 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(Cl)sc1Cl)C2 ZINC001179419461 1049167832 /nfs/dbraw/zinc/16/78/32/1049167832.db2.gz MPRHTWKABTXSRJ-ZDUSSCGKSA-N 1 0 323.248 4.184 20 30 DIEDRO Cc1cc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)ccc1C#N ZINC001204480662 1049172073 /nfs/dbraw/zinc/17/20/73/1049172073.db2.gz VTBUCSKFGRWUGH-HNAYVOBHSA-N 1 0 308.400 4.384 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCc2ccccc2C1 ZINC001204489262 1049173898 /nfs/dbraw/zinc/17/38/98/1049173898.db2.gz SJZJSNRSLSSKMO-SFHVURJKSA-N 1 0 307.412 4.066 20 30 DIEDRO CCCCCCCC[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC001193054553 1049175438 /nfs/dbraw/zinc/17/54/38/1049175438.db2.gz NOJFYDYHRWPWFT-UHFFFAOYSA-N 1 0 318.509 4.083 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC001179506666 1049176212 /nfs/dbraw/zinc/17/62/12/1049176212.db2.gz FMFMFIFZRMSNPR-CTYIDZIISA-N 1 0 321.848 4.029 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)cc1C#N ZINC001179562558 1049177084 /nfs/dbraw/zinc/17/70/84/1049177084.db2.gz FNTBUBCQYCZPEH-UHFFFAOYSA-N 1 0 320.436 4.478 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2)C1 ZINC001179559792 1049177838 /nfs/dbraw/zinc/17/78/38/1049177838.db2.gz VXJPTVKLFFVKSI-DOMZBBRYSA-N 1 0 324.262 4.292 20 30 DIEDRO C#Cc1ccc(C[N@H+](C)Cc2cc(Br)cs2)cc1 ZINC001204506569 1049178136 /nfs/dbraw/zinc/17/81/36/1049178136.db2.gz ZKFOUEFQBCXEKE-UHFFFAOYSA-N 1 0 320.255 4.124 20 30 DIEDRO Cc1c(F)cccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001204506960 1049178804 /nfs/dbraw/zinc/17/88/04/1049178804.db2.gz PFCRQXYAOWGTKE-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(N(C)C)cc1 ZINC000775583393 1049191961 /nfs/dbraw/zinc/19/19/61/1049191961.db2.gz UMMHEBIGHSSADR-YCRPNKLZSA-N 1 0 319.452 4.352 20 30 DIEDRO CC[NH+](CC)CCCC1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001193323286 1049198259 /nfs/dbraw/zinc/19/82/59/1049198259.db2.gz HCWKCOZQDYOOIU-HXUWFJFHSA-N 1 0 313.489 4.085 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC001204626062 1049205184 /nfs/dbraw/zinc/20/51/84/1049205184.db2.gz YPJFHKCFUCGSJV-UHFFFAOYSA-N 1 0 315.416 4.462 20 30 DIEDRO COc1cc(C[NH+]2CCC(CCC(C)C)CC2)ccc1C#N ZINC001204640811 1049209016 /nfs/dbraw/zinc/20/90/16/1049209016.db2.gz VFBGWYCRKPFDBW-UHFFFAOYSA-N 1 0 300.446 4.215 20 30 DIEDRO CC(C)c1ccc(C[N@H+](C)Cc2cc(C#N)ccc2N(C)C)cc1 ZINC001179892690 1049219315 /nfs/dbraw/zinc/21/93/15/1049219315.db2.gz PAMAQZXTMYLFBF-UHFFFAOYSA-N 1 0 321.468 4.380 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3cc[nH]c3c2)c1 ZINC000858137147 1049221027 /nfs/dbraw/zinc/22/10/27/1049221027.db2.gz HLFRIDSMYCYTQI-SFHVURJKSA-N 1 0 319.408 4.139 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3cc[nH]c3c2)c1 ZINC000858137146 1049221692 /nfs/dbraw/zinc/22/16/92/1049221692.db2.gz HLFRIDSMYCYTQI-GOSISDBHSA-N 1 0 319.408 4.139 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccc(F)c(F)c1 ZINC001193573922 1049224821 /nfs/dbraw/zinc/22/48/21/1049224821.db2.gz CLKFOAWYOGJNRA-JLSDUUJJSA-N 1 0 307.384 4.129 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(F)c(F)c1 ZINC001193573925 1049225744 /nfs/dbraw/zinc/22/57/44/1049225744.db2.gz CLKFOAWYOGJNRA-QGTPRVQTSA-N 1 0 307.384 4.129 20 30 DIEDRO C[N@H+](CCc1ccccc1F)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775600403 1049227585 /nfs/dbraw/zinc/22/75/85/1049227585.db2.gz FBFRWWUPZMXHJR-UHFFFAOYSA-N 1 0 310.416 4.301 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000858239913 1049229667 /nfs/dbraw/zinc/22/96/67/1049229667.db2.gz ZIBUMOZZEHTWQE-NRFANRHFSA-N 1 0 320.436 4.115 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2c(F)ccc(F)c2C#N)cc1 ZINC001204706418 1049234626 /nfs/dbraw/zinc/23/46/26/1049234626.db2.gz UKEVHRGATCVRGE-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2c(F)cc(F)cc2C#N)cc1 ZINC001204706719 1049234638 /nfs/dbraw/zinc/23/46/38/1049234638.db2.gz ZTHPOZALMWEPMW-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001193649509 1049240632 /nfs/dbraw/zinc/24/06/32/1049240632.db2.gz RRTVWIJDPGETHG-PKOBYXMFSA-N 1 0 300.446 4.276 20 30 DIEDRO CC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000858377179 1049248939 /nfs/dbraw/zinc/24/89/39/1049248939.db2.gz VRYRRWFUJMURRW-IBGZPJMESA-N 1 0 308.425 4.090 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000858379698 1049250696 /nfs/dbraw/zinc/25/06/96/1049250696.db2.gz IWDBEWIRLLBTCR-NSHDSACASA-N 1 0 318.770 4.078 20 30 DIEDRO CC[N@H+](Cc1c(OC)cccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC001204763297 1049256213 /nfs/dbraw/zinc/25/62/13/1049256213.db2.gz LOBNTWHSTHBXGK-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO C#CC[N@@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)C1CCCCC1 ZINC001180030796 1049260220 /nfs/dbraw/zinc/26/02/20/1049260220.db2.gz PERPOUSTZINRNE-INIZCTEOSA-N 1 0 317.448 4.281 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858484466 1049263391 /nfs/dbraw/zinc/26/33/91/1049263391.db2.gz RZOBQAHDNCTAPO-HRAATJIYSA-N 1 0 320.436 4.286 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)C1 ZINC001203187663 1049268661 /nfs/dbraw/zinc/26/86/61/1049268661.db2.gz MIWJHBFMIKOZGN-NXHRZFHOSA-N 1 0 307.441 4.194 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858546600 1049272785 /nfs/dbraw/zinc/27/27/85/1049272785.db2.gz WGRVREGSHWVRMQ-FDQGKXFDSA-N 1 0 321.848 4.036 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@@H]2CCCC[C@@H]2C(=O)OC)CCCC1(C)C ZINC001193919527 1049280653 /nfs/dbraw/zinc/28/06/53/1049280653.db2.gz ANUCYOPZECBFFM-ULQDDVLXSA-N 1 0 307.478 4.033 20 30 DIEDRO C=CCN(C)CC[N@@H+](CC)Cc1c(C)ccc2cc(C)ccc21 ZINC001193919973 1049281594 /nfs/dbraw/zinc/28/15/94/1049281594.db2.gz IGBUYGWOSJPRDS-UHFFFAOYSA-N 1 0 310.485 4.396 20 30 DIEDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC001180097978 1049286761 /nfs/dbraw/zinc/28/67/61/1049286761.db2.gz IEHUEPBNVZQBEZ-INIZCTEOSA-N 1 0 304.437 4.435 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@H+](CC1CCCCC1)C1CC1 ZINC001180161587 1049301523 /nfs/dbraw/zinc/30/15/23/1049301523.db2.gz IMMDGUVAFKHRLZ-UHFFFAOYSA-N 1 0 311.473 4.169 20 30 DIEDRO C=CC[N@@H+](Cc1cc2ccccc2n1C)Cc1cccc(C#N)c1 ZINC001204898150 1049304609 /nfs/dbraw/zinc/30/46/09/1049304609.db2.gz FGTHEBPYUCPCEE-UHFFFAOYSA-N 1 0 315.420 4.238 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(COC)cs1 ZINC001204899618 1049306512 /nfs/dbraw/zinc/30/65/12/1049306512.db2.gz RUZQNHJHWVAVBF-UHFFFAOYSA-N 1 0 301.455 4.125 20 30 DIEDRO C=C(C)CN(CC(=O)Nc1ccc(C)cc1)Cc1ccccc1 ZINC001194051291 1049308499 /nfs/dbraw/zinc/30/84/99/1049308499.db2.gz BFSDTNWRINUTBE-UHFFFAOYSA-N 1 0 308.425 4.012 20 30 DIEDRO COc1cc(C[N@H+](C)[C@H](C)c2ccc(C)cc2C)ccc1C#N ZINC001180170655 1049308860 /nfs/dbraw/zinc/30/88/60/1049308860.db2.gz QJJAOVSBMLMFLW-MRXNPFEDSA-N 1 0 308.425 4.377 20 30 DIEDRO C=C(C)C[N@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC001194051476 1049308967 /nfs/dbraw/zinc/30/89/67/1049308967.db2.gz DFUOOUONIWRIMY-UHFFFAOYSA-N 1 0 306.409 4.015 20 30 DIEDRO COc1cc(C#N)ccc1CN1CCc2c(cccc2C(C)C)C1 ZINC001194051288 1049309027 /nfs/dbraw/zinc/30/90/27/1049309027.db2.gz BEQLZYWVUHFYTF-UHFFFAOYSA-N 1 0 320.436 4.249 20 30 DIEDRO CC[N@H+](Cc1ccc(SC)o1)[C@H](C)c1ccc(C#N)cc1 ZINC001180195090 1049313103 /nfs/dbraw/zinc/31/31/03/1049313103.db2.gz QKEPJTGEOFLNOH-CYBMUJFWSA-N 1 0 300.427 4.456 20 30 DIEDRO C=CC[N@@H+](C[C@H]1C[C@]1(C)Br)CC1CCCCC1 ZINC001204923792 1049313461 /nfs/dbraw/zinc/31/34/61/1049313461.db2.gz PVBJWKKJACANMF-CABCVRRESA-N 1 0 300.284 4.228 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001204947087 1049319271 /nfs/dbraw/zinc/31/92/71/1049319271.db2.gz ZJYHEKYIJROCIN-HNNXBMFYSA-N 1 0 310.482 4.158 20 30 DIEDRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001180249540 1049322696 /nfs/dbraw/zinc/32/26/96/1049322696.db2.gz QOHOITTWYGJMPB-UTKZUKDTSA-N 1 0 324.468 4.394 20 30 DIEDRO Cc1ccccc1SC[C@@H](C)C[NH+]1CCC(C)(C#N)CC1 ZINC000859241911 1049323322 /nfs/dbraw/zinc/32/33/22/1049323322.db2.gz SBMHJOMGDMWYQW-HNNXBMFYSA-N 1 0 302.487 4.349 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)cc1C#N ZINC000859233061 1049323866 /nfs/dbraw/zinc/32/38/66/1049323866.db2.gz CVSXSHGYTGLQLP-OAQYLSRUSA-N 1 0 320.436 4.124 20 30 DIEDRO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C)c(C#N)c3)oc21 ZINC000859248884 1049325915 /nfs/dbraw/zinc/32/59/15/1049325915.db2.gz LEZJFKVJNBWDQH-CQSZACIVSA-N 1 0 320.392 4.472 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CCC2(C#N)CCCCC2)[C@@H](C)[C@@H]1OC ZINC001194091517 1049327168 /nfs/dbraw/zinc/32/71/68/1049327168.db2.gz NBCMHHZJYUDURO-ZACQAIPSSA-N 1 0 306.494 4.280 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001194152931 1049330057 /nfs/dbraw/zinc/33/00/57/1049330057.db2.gz JUHPEIBOYLWWJB-UTKZUKDTSA-N 1 0 320.436 4.410 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC001205007684 1049340334 /nfs/dbraw/zinc/34/03/34/1049340334.db2.gz MHUYIYWKXCEZHU-RYUDHWBXSA-N 1 0 312.251 4.463 20 30 DIEDRO C=CCC1([NH2+][C@H](CC)Cc2ccc(Cl)cc2)CCOCC1 ZINC000668551701 1049341389 /nfs/dbraw/zinc/34/13/89/1049341389.db2.gz UPUMQDZPOVYQFM-QGZVFWFLSA-N 1 0 307.865 4.376 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@H]2CCc3ccccc32)C2CC2)cc1 ZINC001180321836 1049341881 /nfs/dbraw/zinc/34/18/81/1049341881.db2.gz AZVPRGWSEWHFBK-LJQANCHMSA-N 1 0 302.421 4.253 20 30 DIEDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000485818973 1049347643 /nfs/dbraw/zinc/34/76/43/1049347643.db2.gz SPEOHAFPPSSIAX-CQSZACIVSA-N 1 0 309.369 4.050 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc2ncsc2c1 ZINC000485855070 1049354977 /nfs/dbraw/zinc/35/49/77/1049354977.db2.gz YSLFZTYKYHJXRN-NSHDSACASA-N 1 0 311.385 4.158 20 30 DIEDRO CCC[C@]1([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCOC1 ZINC001194268924 1049355204 /nfs/dbraw/zinc/35/52/04/1049355204.db2.gz KZOWOUYCWAXTOR-NRFANRHFSA-N 1 0 320.436 4.274 20 30 DIEDRO CC(C)[C@@H](C)[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC001180489364 1049364749 /nfs/dbraw/zinc/36/47/49/1049364749.db2.gz ZAHFCWUAARBXIE-GFCCVEGCSA-N 1 0 321.262 4.330 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)ccc1C#N ZINC001180592696 1049386149 /nfs/dbraw/zinc/38/61/49/1049386149.db2.gz IHHIHFYOPZKQQT-NRFANRHFSA-N 1 0 320.436 4.164 20 30 DIEDRO CC#CCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001205136747 1049389533 /nfs/dbraw/zinc/38/95/33/1049389533.db2.gz IMYZJIGJQDFXMI-UHFFFAOYSA-N 1 0 307.315 4.468 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001205162179 1049399373 /nfs/dbraw/zinc/39/93/73/1049399373.db2.gz LXMAKMNBMYLLRP-UHFFFAOYSA-N 1 0 323.364 4.258 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)ccc1F ZINC001205193086 1049406892 /nfs/dbraw/zinc/40/68/92/1049406892.db2.gz PLHSUMPEEYPDQX-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCC1 ZINC001180811169 1049410245 /nfs/dbraw/zinc/41/02/45/1049410245.db2.gz QVCGMQBADXHJLU-IBGZPJMESA-N 1 0 322.456 4.017 20 30 DIEDRO CCCCCCCCOC(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001194757053 1049426079 /nfs/dbraw/zinc/42/60/79/1049426079.db2.gz XRITZYUQCBEDER-IAGOWNOFSA-N 1 0 312.498 4.192 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001181134100 1049444028 /nfs/dbraw/zinc/44/40/28/1049444028.db2.gz CSYGKKGMSYECPS-WWDZGPRUSA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001181132891 1049444140 /nfs/dbraw/zinc/44/41/40/1049444140.db2.gz LKAHQCWINWXQOF-ZDUSSCGKSA-N 1 0 307.413 4.049 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001181135323 1049446660 /nfs/dbraw/zinc/44/66/60/1049446660.db2.gz UTQAWHCZGNECFQ-OKZBNKHCSA-N 1 0 310.526 4.218 20 30 DIEDRO COc1cccc(C2=CC[N@H+](Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000486659537 1049446940 /nfs/dbraw/zinc/44/69/40/1049446940.db2.gz SUPUEBVFPMODHR-UHFFFAOYSA-N 1 0 318.420 4.165 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H]2C ZINC001205353907 1049447458 /nfs/dbraw/zinc/44/74/58/1049447458.db2.gz PFZCBUCGFYPYJP-CVEARBPZSA-N 1 0 320.436 4.383 20 30 DIEDRO CCCCCCCCCOC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001194921269 1049449120 /nfs/dbraw/zinc/44/91/20/1049449120.db2.gz XCRLJRRJWSILBC-UHFFFAOYSA-N 1 0 324.509 4.338 20 30 DIEDRO CCCCCCCCCOC(=O)NC1CC[NH+](C2CC2)CC1 ZINC001194920293 1049449278 /nfs/dbraw/zinc/44/92/78/1049449278.db2.gz CCGQRJGLUDHJSB-UHFFFAOYSA-N 1 0 310.482 4.090 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000093492381 1049450801 /nfs/dbraw/zinc/45/08/01/1049450801.db2.gz LIHATYCFTPUULJ-CYBMUJFWSA-N 1 0 300.427 4.258 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(OC(F)F)c1 ZINC000093492360 1049450950 /nfs/dbraw/zinc/45/09/50/1049450950.db2.gz STJVTTNNJQCZDF-JTQLQIEISA-N 1 0 308.353 4.072 20 30 DIEDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCCC1 ZINC001205388437 1049457531 /nfs/dbraw/zinc/45/75/31/1049457531.db2.gz GUQCTSNVYRKZQI-OAHLLOKOSA-N 1 0 322.456 4.017 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2cc(OC)c(OC)cc2F)CCCC1(C)C ZINC001181296698 1049460002 /nfs/dbraw/zinc/46/00/02/1049460002.db2.gz CBSPJGDJYMIDSD-GOSISDBHSA-N 1 0 321.436 4.410 20 30 DIEDRO C#C[C@H](C)[N@@H+](C)Cc1ccccc1Sc1cccc(OC)c1 ZINC001181296926 1049461512 /nfs/dbraw/zinc/46/15/12/1049461512.db2.gz GSWPYUXESNHQJM-HNNXBMFYSA-N 1 0 311.450 4.300 20 30 DIEDRO C[N@H+](CCOCc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000486812881 1049476162 /nfs/dbraw/zinc/47/61/62/1049476162.db2.gz OOZQTTOSXSOFJQ-UHFFFAOYSA-N 1 0 322.452 4.136 20 30 DIEDRO COc1ccccc1C[N@H+](Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000486811588 1049477182 /nfs/dbraw/zinc/47/71/82/1049477182.db2.gz VZZRCVXVTDHNIC-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)ccc1F ZINC001205493759 1049485788 /nfs/dbraw/zinc/48/57/88/1049485788.db2.gz OMNJXAZSINUETH-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO CCCOc1ccc(C(C)(C)[NH2+]CC#Cc2ccccc2)cc1 ZINC001205506606 1049487954 /nfs/dbraw/zinc/48/79/54/1049487954.db2.gz BXRXXOCLWNWGPP-UHFFFAOYSA-N 1 0 307.437 4.352 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)C12CC[NH+](CC1)CC2 ZINC001181547866 1049489765 /nfs/dbraw/zinc/48/97/65/1049489765.db2.gz XADDUDLQSOSPOO-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C#C[C@H]([NH2+]C1CC(c2ccc(Br)cc2F)C1)C(C)C ZINC001181574648 1049491715 /nfs/dbraw/zinc/49/17/15/1049491715.db2.gz BCQKDKYYKATHDR-TZDAIYRESA-N 1 0 324.237 4.082 20 30 DIEDRO C#C[C@H](CC)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001181577233 1049492174 /nfs/dbraw/zinc/49/21/74/1049492174.db2.gz RATQKKHTSNSNEI-CQSZACIVSA-N 1 0 307.315 4.467 20 30 DIEDRO C#C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC001181647010 1049498330 /nfs/dbraw/zinc/49/83/30/1049498330.db2.gz SHKRKCIYBIWYAZ-ZDUSSCGKSA-N 1 0 314.226 4.227 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2ccnn2CC2CCC2)CCCC1(C)C ZINC001205569143 1049499444 /nfs/dbraw/zinc/49/94/44/1049499444.db2.gz QMPWZNDGOXHILL-GOSISDBHSA-N 1 0 301.478 4.250 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1sccc1Cl ZINC000486976569 1049500520 /nfs/dbraw/zinc/50/05/20/1049500520.db2.gz ZFAGGAPHGXIUKV-UHFFFAOYSA-N 1 0 322.886 4.296 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC001204303480 1049501515 /nfs/dbraw/zinc/50/15/15/1049501515.db2.gz KCEMJABYQDHEKH-INIZCTEOSA-N 1 0 311.425 4.453 20 30 DIEDRO C=CC[N@@H+](CCOC)C/C(C)=C/c1ccccc1C(F)(F)F ZINC001205660731 1049526268 /nfs/dbraw/zinc/52/62/68/1049526268.db2.gz PBIXWMCGOGOZMJ-WYMLVPIESA-N 1 0 313.363 4.243 20 30 DIEDRO C=CC[N@@H+](CCOC)C/C(C)=C\c1ccccc1C(F)(F)F ZINC001205660730 1049526342 /nfs/dbraw/zinc/52/63/42/1049526342.db2.gz PBIXWMCGOGOZMJ-OWBHPGMISA-N 1 0 313.363 4.243 20 30 DIEDRO Cc1cscc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000487202877 1049528369 /nfs/dbraw/zinc/52/83/69/1049528369.db2.gz UUYCNKIYTHEJHF-UHFFFAOYSA-N 1 0 300.427 4.029 20 30 DIEDRO C#C[C@H]([NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)C ZINC001205713723 1049540764 /nfs/dbraw/zinc/54/07/64/1049540764.db2.gz HASZBGXIQRMCEE-FQEVSTJZSA-N 1 0 313.391 4.344 20 30 DIEDRO N#CCC1(C[NH+]2CCC(CCc3ccc(F)cc3F)CC2)CC1 ZINC001195630839 1049546457 /nfs/dbraw/zinc/54/64/57/1049546457.db2.gz ODNFYEBSKYIHLH-UHFFFAOYSA-N 1 0 318.411 4.303 20 30 DIEDRO C=CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001205736085 1049547641 /nfs/dbraw/zinc/54/76/41/1049547641.db2.gz PGZXBHDQWMOJKB-IBGZPJMESA-N 1 0 324.509 4.360 20 30 DIEDRO C#CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001205740848 1049549355 /nfs/dbraw/zinc/54/93/55/1049549355.db2.gz MDYRAEIAHCQNMU-LGMDPLHJSA-N 1 0 320.392 4.134 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cccn1C(F)F)c1ccccc1 ZINC001182043321 1049562949 /nfs/dbraw/zinc/56/29/49/1049562949.db2.gz ITYXBEJDJPPKFY-MRXNPFEDSA-N 1 0 303.356 4.408 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC001182072600 1049569739 /nfs/dbraw/zinc/56/97/39/1049569739.db2.gz SEJRHTJTRUCBET-KRWDZBQOSA-N 1 0 308.400 4.249 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC001182152109 1049577309 /nfs/dbraw/zinc/57/73/09/1049577309.db2.gz JAZLUZBJFNIUAH-AUUYWEPGSA-N 1 0 313.828 4.331 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000487874939 1049580266 /nfs/dbraw/zinc/58/02/66/1049580266.db2.gz QCOXOXOSSWMJET-INIZCTEOSA-N 1 0 306.409 4.316 20 30 DIEDRO N#Cc1cc(F)c(Nc2ccc(C[NH+]3CCCC3)cc2)c(F)c1 ZINC001203816568 1049582300 /nfs/dbraw/zinc/58/23/00/1049582300.db2.gz DRVSTRRXPMYTKV-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000119612381 1049592697 /nfs/dbraw/zinc/59/26/97/1049592697.db2.gz ZJUYXEPBOYTLGM-KBPBESRZSA-N 1 0 314.454 4.068 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Oc2ccc(OC)cc2)cc1)C1CC1 ZINC001205882647 1049593014 /nfs/dbraw/zinc/59/30/14/1049593014.db2.gz NCXWJHVCOOVOGA-UHFFFAOYSA-N 1 0 307.393 4.085 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC001195947176 1049598560 /nfs/dbraw/zinc/59/85/60/1049598560.db2.gz RBXXWFIGJXSFIL-CVEARBPZSA-N 1 0 311.429 4.394 20 30 DIEDRO Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000119693014 1049601302 /nfs/dbraw/zinc/60/13/02/1049601302.db2.gz ASBOPXPLMNCVOM-DLBZAZTESA-N 1 0 308.425 4.179 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC001196055745 1049605965 /nfs/dbraw/zinc/60/59/65/1049605965.db2.gz GZTWDAIPYXBGJZ-QZTJIDSGSA-N 1 0 307.441 4.368 20 30 DIEDRO CC(C)([NH2+]Cc1ccc2ncccc2c1)c1cccc(C#N)c1 ZINC001196038594 1049608174 /nfs/dbraw/zinc/60/81/74/1049608174.db2.gz DKGPWINXGMAFGP-UHFFFAOYSA-N 1 0 301.393 4.131 20 30 DIEDRO Cc1cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)ccc1C#N ZINC000488175998 1049609393 /nfs/dbraw/zinc/60/93/93/1049609393.db2.gz ZOWRAIUPHTXTBT-UHFFFAOYSA-N 1 0 300.352 4.170 20 30 DIEDRO C=CC[N@@H+](Cc1coc(-c2cccc(OC)c2)n1)C(C)(C)C ZINC001196198506 1049627925 /nfs/dbraw/zinc/62/79/25/1049627925.db2.gz NICQIDDGKXHJSI-UHFFFAOYSA-N 1 0 300.402 4.137 20 30 DIEDRO C=CC[N@@H+](Cc1cc2ccc(F)cc2[nH]1)Cc1cccc(C#N)c1 ZINC000488310917 1049633827 /nfs/dbraw/zinc/63/38/27/1049633827.db2.gz GUXGKSUSTJRRSU-UHFFFAOYSA-N 1 0 319.383 4.367 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000774246341 1049635539 /nfs/dbraw/zinc/63/55/39/1049635539.db2.gz YJJCXTOAMSAXQU-QAPCUYQASA-N 1 0 310.397 4.128 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)cc1F ZINC001182368048 1049636676 /nfs/dbraw/zinc/63/66/76/1049636676.db2.gz AAPAADAXQKGIED-UHFFFAOYSA-N 1 0 322.355 4.302 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(C)oc2C)c1 ZINC000774243525 1049636839 /nfs/dbraw/zinc/63/68/39/1049636839.db2.gz LIPSQXXLTQXTRI-WMLDXEAASA-N 1 0 312.413 4.428 20 30 DIEDRO C[C@@H]1CCC[C@H](C2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)C1 ZINC000864054963 1049638380 /nfs/dbraw/zinc/63/83/80/1049638380.db2.gz FDICMIIMJOXDDV-AEFFLSMTSA-N 1 0 308.469 4.500 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H](O)c1ccccc1 ZINC000794601939 1049647592 /nfs/dbraw/zinc/64/75/92/1049647592.db2.gz VFQQWECECWCINV-ZWKOTPCHSA-N 1 0 302.462 4.054 20 30 DIEDRO C#C[C@@H]([NH2+]CC(C)(C)c1ccc(Br)cc1)C(C)(C)C ZINC001206076768 1049647581 /nfs/dbraw/zinc/64/75/81/1049647581.db2.gz GGNZTMCFDDICHN-OAHLLOKOSA-N 1 0 322.290 4.364 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1OCCCC#N ZINC000119986272 1049649553 /nfs/dbraw/zinc/64/95/53/1049649553.db2.gz HJMUCISXBSTMLS-RDJZCZTQSA-N 1 0 316.445 4.046 20 30 DIEDRO CC[C@@H](c1ccccc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001196420188 1049656447 /nfs/dbraw/zinc/65/64/47/1049656447.db2.gz QKINVSVPMDBSFZ-FQEVSTJZSA-N 1 0 305.425 4.284 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cn(C(C)C)nc21)c1ccc(C#N)cc1 ZINC000774352178 1049656685 /nfs/dbraw/zinc/65/66/85/1049656685.db2.gz ZWFHPIVSAICETC-MOPGFXCFSA-N 1 0 322.456 4.454 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774390834 1049657158 /nfs/dbraw/zinc/65/71/58/1049657158.db2.gz ILURAGKLGMVUQX-JTQLQIEISA-N 1 0 320.223 4.298 20 30 DIEDRO C=CCCCCCCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC001206141594 1049665636 /nfs/dbraw/zinc/66/56/36/1049665636.db2.gz FQYIYVUCPVJLIY-UHFFFAOYSA-N 1 0 310.482 4.158 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000774480609 1049673811 /nfs/dbraw/zinc/67/38/11/1049673811.db2.gz WVTTXFSBTIMXPU-HOTGVXAUSA-N 1 0 316.445 4.429 20 30 DIEDRO C=CCn1cc(C[NH2+]C2CCCCCCCCCCC2)nn1 ZINC001182470374 1049673855 /nfs/dbraw/zinc/67/38/55/1049673855.db2.gz MQSUOMIVWZHXMZ-UHFFFAOYSA-N 1 0 304.482 4.227 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000774479855 1049674532 /nfs/dbraw/zinc/67/45/32/1049674532.db2.gz RNIFGIHWHFCBOC-JKSUJKDBSA-N 1 0 316.445 4.429 20 30 DIEDRO C=C(C)CN(CC)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000488619231 1049684725 /nfs/dbraw/zinc/68/47/25/1049684725.db2.gz RMHDSFKXGOFUGH-GFCCVEGCSA-N 1 0 305.809 4.349 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1c2sccc2OC(C)(C)[C@H]1O ZINC001206233318 1049687174 /nfs/dbraw/zinc/68/71/74/1049687174.db2.gz URAODKGIZUSSNF-XPKDYRNWSA-N 1 0 309.475 4.046 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC001182574283 1049687784 /nfs/dbraw/zinc/68/77/84/1049687784.db2.gz MJJVAZCQMHWHHI-RTWAWAEBSA-N 1 0 304.437 4.353 20 30 DIEDRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC001182575286 1049687796 /nfs/dbraw/zinc/68/77/96/1049687796.db2.gz YJLVUJBAYSRJSB-VQTJNVASSA-N 1 0 320.436 4.088 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC001182796635 1049712282 /nfs/dbraw/zinc/71/22/82/1049712282.db2.gz XHHNSDFICKCSJO-MRXNPFEDSA-N 1 0 301.478 4.256 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CC(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC001182805777 1049713029 /nfs/dbraw/zinc/71/30/29/1049713029.db2.gz JWNMPLKHNROWRX-INIZCTEOSA-N 1 0 317.473 4.270 20 30 DIEDRO CC#CCCCCCCCC(=O)N1CCC([NH+](CC)CC)CC1 ZINC001182768404 1049713861 /nfs/dbraw/zinc/71/38/61/1049713861.db2.gz ASYXYYNCTWWPQD-UHFFFAOYSA-N 1 0 320.521 4.073 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC001206358960 1049718953 /nfs/dbraw/zinc/71/89/53/1049718953.db2.gz YRIMZTFPKJYCKF-CAMMJAKZSA-N 1 0 319.876 4.232 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC001206358924 1049719831 /nfs/dbraw/zinc/71/98/31/1049719831.db2.gz YDROKEMWEMPNKN-QWHCGFSZSA-N 1 0 312.479 4.329 20 30 DIEDRO CCC(CC)(C[NH2+][C@H](C)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC001206370959 1049722305 /nfs/dbraw/zinc/72/23/05/1049722305.db2.gz JNODVWHLJCAZSK-CQSZACIVSA-N 1 0 310.482 4.052 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197219884 1049728267 /nfs/dbraw/zinc/72/82/67/1049728267.db2.gz CPARJUQOFKJFDA-KXBFYZLASA-N 1 0 324.509 4.214 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC001206411601 1049730430 /nfs/dbraw/zinc/73/04/30/1049730430.db2.gz YEAMCCBWXZPFGH-AWEZNQCLSA-N 1 0 315.363 4.460 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCc3ccc(F)cc3F)CCC2)cc1 ZINC001206455381 1049736376 /nfs/dbraw/zinc/73/63/76/1049736376.db2.gz DQMKBZHFDUCRDI-UHFFFAOYSA-N 1 0 312.363 4.048 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001206463317 1049737610 /nfs/dbraw/zinc/73/76/10/1049737610.db2.gz FJICLEKCBBXRAS-INIZCTEOSA-N 1 0 309.384 4.463 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCCSC[C@@H]2c2ccccc2)c1 ZINC001197368592 1049748461 /nfs/dbraw/zinc/74/84/61/1049748461.db2.gz IXYWKNJYVHHRBK-LJQANCHMSA-N 1 0 308.450 4.238 20 30 DIEDRO CCC1(CC)CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001197514682 1049755787 /nfs/dbraw/zinc/75/57/87/1049755787.db2.gz PBSWNGFLBHNYAC-UHFFFAOYSA-N 1 0 321.262 4.475 20 30 DIEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000489466859 1049759869 /nfs/dbraw/zinc/75/98/69/1049759869.db2.gz ZRGOMLCXCNONPA-FQEVSTJZSA-N 1 0 320.436 4.479 20 30 DIEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000489466444 1049760632 /nfs/dbraw/zinc/76/06/32/1049760632.db2.gz YBDXRZBXSVIMMO-LJQANCHMSA-N 1 0 308.425 4.201 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000489563072 1049768938 /nfs/dbraw/zinc/76/89/38/1049768938.db2.gz BHXPPSNCRMMJJF-IBGZPJMESA-N 1 0 312.363 4.044 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C#N ZINC000489619920 1049770222 /nfs/dbraw/zinc/77/02/22/1049770222.db2.gz IPNRRMWLPKLRJZ-UHFFFAOYSA-N 1 0 321.399 4.227 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC001206637108 1049773331 /nfs/dbraw/zinc/77/33/31/1049773331.db2.gz WJFMKEBTLYVGGS-FUHWJXTLSA-N 1 0 303.494 4.479 20 30 DIEDRO N#CC1(C[NH2+]C2CC(Sc3ccccc3)C2)CCCCC1 ZINC001206694778 1049780713 /nfs/dbraw/zinc/78/07/13/1049780713.db2.gz MJKPVYVKHVMJED-UHFFFAOYSA-N 1 0 300.471 4.373 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1(C#N)CCCCC1 ZINC001206694700 1049781201 /nfs/dbraw/zinc/78/12/01/1049781201.db2.gz JTKRVKAXXQJPCD-CYBMUJFWSA-N 1 0 308.828 4.474 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)C1(C)CCCC1 ZINC000489875258 1049789027 /nfs/dbraw/zinc/78/90/27/1049789027.db2.gz NJWMNMQQEXWYGT-UHFFFAOYSA-N 1 0 318.486 4.168 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(-c2ccccc2OC)no1 ZINC000658355831 1049798616 /nfs/dbraw/zinc/79/86/16/1049798616.db2.gz HKSHJQZMUHWWLA-AWEZNQCLSA-N 1 0 300.402 4.185 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2c(C)ccc(Br)c2F)C1 ZINC001206800790 1049801210 /nfs/dbraw/zinc/80/12/10/1049801210.db2.gz NEMGWJCSYXIBBJ-LBPRGKRZSA-N 1 0 312.226 4.295 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000490140026 1049805896 /nfs/dbraw/zinc/80/58/96/1049805896.db2.gz QNBLSADHELEIFE-OAHLLOKOSA-N 1 0 312.388 4.159 20 30 DIEDRO CC(C)(C)c1ccc(CC[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001207243616 1049868569 /nfs/dbraw/zinc/86/85/69/1049868569.db2.gz OYUNNAVKMBIKPF-NRFANRHFSA-N 1 0 318.464 4.155 20 30 DIEDRO CCC[N@@H+](CCC#N)CCCc1ccc(Br)cc1 ZINC001207322223 1049878865 /nfs/dbraw/zinc/87/88/65/1049878865.db2.gz KVXTXOMFPCEOLQ-UHFFFAOYSA-N 1 0 309.251 4.007 20 30 DIEDRO CC1(C#N)CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001207322016 1049879422 /nfs/dbraw/zinc/87/94/22/1049879422.db2.gz HFMMECQBYPRZTA-UHFFFAOYSA-N 1 0 321.262 4.007 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)cc1C#N ZINC001207311155 1049879774 /nfs/dbraw/zinc/87/97/74/1049879774.db2.gz AOVBWDCVUNGOQR-FPOVZHCZSA-N 1 0 320.436 4.167 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC001207335098 1049881140 /nfs/dbraw/zinc/88/11/40/1049881140.db2.gz XCACGZDEYIQWKD-INIZCTEOSA-N 1 0 312.461 4.377 20 30 DIEDRO C=CCCC[C@H]([NH2+]C1CC(C)(C(=O)OCC)C1)c1ccccc1 ZINC001207340725 1049882465 /nfs/dbraw/zinc/88/24/65/1049882465.db2.gz AYAQLWKGSAIZCR-FDYSRKEFSA-N 1 0 315.457 4.405 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC(c2ccc(C)c(C)c2)=NO1 ZINC001207391109 1049886684 /nfs/dbraw/zinc/88/66/84/1049886684.db2.gz FMSGZOXMBHRVAR-MSOLQXFVSA-N 1 0 300.446 4.131 20 30 DIEDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CCO2 ZINC000586780202 1049898677 /nfs/dbraw/zinc/89/86/77/1049898677.db2.gz VKHJZEOOUHIUTR-UHFFFAOYSA-N 1 0 320.436 4.191 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C#N)cc1F ZINC000586789992 1049900274 /nfs/dbraw/zinc/90/02/74/1049900274.db2.gz WUOVYDLVDQIDIJ-LBPRGKRZSA-N 1 0 318.342 4.086 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(c2ccccn2)CCC1 ZINC000586795501 1049901136 /nfs/dbraw/zinc/90/11/36/1049901136.db2.gz BXLZTADVSBGZEH-IBGZPJMESA-N 1 0 317.436 4.042 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC001207501868 1049901306 /nfs/dbraw/zinc/90/13/06/1049901306.db2.gz MZDWNNTZQNEYRD-GHTZIAJQSA-N 1 0 304.437 4.368 20 30 DIEDRO CSc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)cc1C#N ZINC001207549002 1049908192 /nfs/dbraw/zinc/90/81/92/1049908192.db2.gz PPOJDZKPPUCZTR-CYBMUJFWSA-N 1 0 314.429 4.313 20 30 DIEDRO Cc1cc(C)cc(CC[NH2+]C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC001207623161 1049918755 /nfs/dbraw/zinc/91/87/55/1049918755.db2.gz SAQDHUOOMGKACV-UHFFFAOYSA-N 1 0 306.453 4.329 20 30 DIEDRO C[C@H](c1nccc2ccccc21)[N@H+](C)Cc1cc(C#N)cs1 ZINC001207685410 1049927454 /nfs/dbraw/zinc/92/74/54/1049927454.db2.gz RNNHLIHWBWOSQK-CYBMUJFWSA-N 1 0 307.422 4.361 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC001207689606 1049927827 /nfs/dbraw/zinc/92/78/27/1049927827.db2.gz VQSOWAWYWRIWSK-STQMWFEESA-N 1 0 323.278 4.471 20 30 DIEDRO C#CCCCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000222288012 1049936078 /nfs/dbraw/zinc/93/60/78/1049936078.db2.gz YAWJXGLLONNWHG-OAHLLOKOSA-N 1 0 322.246 4.056 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]CCC2CCC(F)(F)CC2)C1 ZINC001207763741 1049936181 /nfs/dbraw/zinc/93/61/81/1049936181.db2.gz UEBDWGJVXQAADK-UHFFFAOYSA-N 1 0 318.411 4.416 20 30 DIEDRO CC[NH+](CC)CC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC001207806839 1049941691 /nfs/dbraw/zinc/94/16/91/1049941691.db2.gz YVKAFTDVPKYVIC-MJGOQNOKSA-N 1 0 315.505 4.378 20 30 DIEDRO CC[NH+](CC)CC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC001207806838 1049941865 /nfs/dbraw/zinc/94/18/65/1049941865.db2.gz YVKAFTDVPKYVIC-IEBWSBKVSA-N 1 0 315.505 4.378 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC001207830418 1049944433 /nfs/dbraw/zinc/94/44/33/1049944433.db2.gz FNGQWIQAGOKVHI-UHFFFAOYSA-N 1 0 316.448 4.276 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCN(CCCCOC)CC1 ZINC001207899805 1049951930 /nfs/dbraw/zinc/95/19/30/1049951930.db2.gz NNGUBSDPEYBGGG-UHFFFAOYSA-N 1 0 324.553 4.337 20 30 DIEDRO Cc1ccc(CCC[NH+]2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC001207951278 1049964534 /nfs/dbraw/zinc/96/45/34/1049964534.db2.gz VKBWOTJDPJWBSC-UHFFFAOYSA-N 1 0 308.425 4.272 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000571902281 1049970713 /nfs/dbraw/zinc/97/07/13/1049970713.db2.gz NNPDJNMONHDMKO-INIZCTEOSA-N 1 0 308.425 4.047 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CCCC1CCCC1)C2 ZINC001208088903 1049972832 /nfs/dbraw/zinc/97/28/32/1049972832.db2.gz VFINBQKLVYIIPH-UXHICEINSA-N 1 0 321.505 4.031 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001208119990 1049975452 /nfs/dbraw/zinc/97/54/52/1049975452.db2.gz KBXUTNKWSNBSSA-OAGJVSPASA-N 1 0 305.466 4.474 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001208124426 1049975579 /nfs/dbraw/zinc/97/55/79/1049975579.db2.gz QYLGRLZKAPCKLS-CMDGGOBGSA-N 1 0 322.493 4.210 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(OC(=O)NCC)CC1 ZINC001208124572 1049975631 /nfs/dbraw/zinc/97/56/31/1049975631.db2.gz UGTDHWSYNUPMKL-ZHACJKMWSA-N 1 0 310.482 4.114 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(NC(=O)OCC)CC1 ZINC001208124012 1049975755 /nfs/dbraw/zinc/97/57/55/1049975755.db2.gz HXMKZBFSWMRQOC-ZHACJKMWSA-N 1 0 310.482 4.114 20 30 DIEDRO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CCC(F)(F)CC1 ZINC000588216032 1049976766 /nfs/dbraw/zinc/97/67/66/1049976766.db2.gz QQYVEBXLAQXYOD-UHFFFAOYSA-N 1 0 306.400 4.497 20 30 DIEDRO CC/C=C\CCC[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001208140986 1049977600 /nfs/dbraw/zinc/97/76/00/1049977600.db2.gz XRNUFNBNWXEQRD-ARJAWSKDSA-N 1 0 300.421 4.429 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)o1 ZINC000156779211 1049978257 /nfs/dbraw/zinc/97/82/57/1049978257.db2.gz FYACXNAUAXRMFX-UHFFFAOYSA-N 1 0 310.397 4.192 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](c3nc(CC)no3)C2)CC1 ZINC001208176205 1049981553 /nfs/dbraw/zinc/98/15/53/1049981553.db2.gz AHOKIVDMGLAJDO-IAGOWNOFSA-N 1 0 315.461 4.114 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)CC1 ZINC001208175233 1049981601 /nfs/dbraw/zinc/98/16/01/1049981601.db2.gz PRTRPGBNCKFIBE-QGZVFWFLSA-N 1 0 323.484 4.057 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCCCC/C=C\CC)C2 ZINC001208191683 1049983009 /nfs/dbraw/zinc/98/30/09/1049983009.db2.gz WMBMNOLJXVJRDQ-DXPXIUTNSA-N 1 0 321.505 4.339 20 30 DIEDRO CCCCN(CCC#N)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001208589574 1049997038 /nfs/dbraw/zinc/99/70/38/1049997038.db2.gz WHGKMXMRBJJNPE-HXUWFJFHSA-N 1 0 313.489 4.057 20 30 DIEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)c1cccc(Br)c1 ZINC000588929582 1050012877 /nfs/dbraw/zinc/01/28/77/1050012877.db2.gz UEJREPYLYTXOBF-ZDUSSCGKSA-N 1 0 323.278 4.472 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001208825951 1050013022 /nfs/dbraw/zinc/01/30/22/1050013022.db2.gz PHVVJCOHDJRBML-HNNXBMFYSA-N 1 0 321.262 4.007 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC001208843940 1050016359 /nfs/dbraw/zinc/01/63/59/1050016359.db2.gz BXAFJQDUSNMLSD-HXUWFJFHSA-N 1 0 308.400 4.467 20 30 DIEDRO C[N@H+](CCCc1cccc(C#N)c1)CCc1ccccc1Cl ZINC001208853189 1050017094 /nfs/dbraw/zinc/01/70/94/1050017094.db2.gz FPVSJLYMMGLRCQ-UHFFFAOYSA-N 1 0 312.844 4.319 20 30 DIEDRO C[N@H+](CCCc1cccc(C#N)c1)CCc1cccc(Cl)c1 ZINC001208853191 1050017240 /nfs/dbraw/zinc/01/72/40/1050017240.db2.gz FQPNTKQJQOKCRN-UHFFFAOYSA-N 1 0 312.844 4.319 20 30 DIEDRO C[N@H+](CCCc1ccc(C#N)cc1)Cc1cccc2cccnc21 ZINC001208859278 1050017270 /nfs/dbraw/zinc/01/72/70/1050017270.db2.gz WAFYVWZLLDHTFU-UHFFFAOYSA-N 1 0 315.420 4.171 20 30 DIEDRO N#Cc1cccc(CCC[NH+]2CCC(c3cccc(O)c3)CC2)c1 ZINC001208855053 1050017289 /nfs/dbraw/zinc/01/72/89/1050017289.db2.gz ZEYYRFXFJIICQR-UHFFFAOYSA-N 1 0 320.436 4.076 20 30 DIEDRO N#Cc1cccc(CCC[NH+]2CCC3(CC(F)(F)C3)CC2)c1 ZINC001208851935 1050017310 /nfs/dbraw/zinc/01/73/10/1050017310.db2.gz OAMPCVPLJWLIEG-UHFFFAOYSA-N 1 0 304.384 4.002 20 30 DIEDRO C[N@H+](CCCc1cccc(C#N)c1)C(C)(C)Cc1ccccc1 ZINC001208853992 1050017392 /nfs/dbraw/zinc/01/73/92/1050017392.db2.gz FDQWXFBALPSSJZ-UHFFFAOYSA-N 1 0 306.453 4.444 20 30 DIEDRO C[N@H+](CCCc1cccc(C#N)c1)CCc1ccc(Cl)cc1 ZINC001208853826 1050017495 /nfs/dbraw/zinc/01/74/95/1050017495.db2.gz XXFQEBVDQUOECI-UHFFFAOYSA-N 1 0 312.844 4.319 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC001208856108 1050017565 /nfs/dbraw/zinc/01/75/65/1050017565.db2.gz ADHYFGUMXCDDLD-FQEVSTJZSA-N 1 0 308.400 4.467 20 30 DIEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC001208852380 1050017690 /nfs/dbraw/zinc/01/76/90/1050017690.db2.gz IKAOHPWJWSPTCE-NRFANRHFSA-N 1 0 320.436 4.034 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001208853274 1050017748 /nfs/dbraw/zinc/01/77/48/1050017748.db2.gz GTGHTSYYCQYREQ-GOSISDBHSA-N 1 0 308.400 4.119 20 30 DIEDRO N#Cc1cccc(CCC[N@@H+]2CCSc3ccccc3C2)c1 ZINC001208854169 1050017863 /nfs/dbraw/zinc/01/78/63/1050017863.db2.gz KNHZCGPTJCNHIW-UHFFFAOYSA-N 1 0 308.450 4.099 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCc3c4ccccc4oc3C2)cc1 ZINC001208864509 1050018559 /nfs/dbraw/zinc/01/85/59/1050018559.db2.gz NPCLITGHSOHORA-UHFFFAOYSA-N 1 0 316.404 4.295 20 30 DIEDRO COc1cccc(CCC[N@H+](C)CCCc2ccc(C#N)cc2)c1 ZINC001208862904 1050018588 /nfs/dbraw/zinc/01/85/88/1050018588.db2.gz RQFVQOWKOLDNOY-UHFFFAOYSA-N 1 0 322.452 4.064 20 30 DIEDRO N#Cc1ccc(CCC[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC001208864864 1050018681 /nfs/dbraw/zinc/01/86/81/1050018681.db2.gz WQEAFVZFRQREQZ-UHFFFAOYSA-N 1 0 320.436 4.076 20 30 DIEDRO CC[N@H+](CCCc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC001208864803 1050018954 /nfs/dbraw/zinc/01/89/54/1050018954.db2.gz USXFUBVECZRKOU-UHFFFAOYSA-N 1 0 308.425 4.022 20 30 DIEDRO C[C@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)c1ccc(C#N)cc1 ZINC000589168149 1050022512 /nfs/dbraw/zinc/02/25/12/1050022512.db2.gz PYNNRZMQROKHMY-YHBQKQJXSA-N 1 0 312.363 4.433 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC001208928326 1050024254 /nfs/dbraw/zinc/02/42/54/1050024254.db2.gz FWGNJSWNXMRRRL-LJQANCHMSA-N 1 0 312.363 4.216 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC001208928465 1050024518 /nfs/dbraw/zinc/02/45/18/1050024518.db2.gz CLVURQGETCVPND-UHFFFAOYSA-N 1 0 300.405 4.386 20 30 DIEDRO N#Cc1ccc(CC[N@H+](Cc2ccccn2)C2CCCCC2)cc1 ZINC001208928144 1050025676 /nfs/dbraw/zinc/02/56/76/1050025676.db2.gz WIFBUHZUZPCQAP-UHFFFAOYSA-N 1 0 319.452 4.331 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337130 1050028484 /nfs/dbraw/zinc/02/84/84/1050028484.db2.gz IDZBPIUOCQJCBE-XOBRGWDASA-N 1 0 306.409 4.295 20 30 DIEDRO COCCC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCCCC1 ZINC000589344146 1050028588 /nfs/dbraw/zinc/02/85/88/1050028588.db2.gz YHLDXGJJNIJUJG-LJQANCHMSA-N 1 0 312.457 4.122 20 30 DIEDRO CCCc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000572710186 1050040668 /nfs/dbraw/zinc/04/06/68/1050040668.db2.gz HPXAIKWXIJOPOW-HNNXBMFYSA-N 1 0 308.425 4.370 20 30 DIEDRO C=CCCC[N@@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001209164301 1050040810 /nfs/dbraw/zinc/04/08/10/1050040810.db2.gz WQPNTGLWRGKSPR-UHFFFAOYSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCCC[N@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001209164081 1050040969 /nfs/dbraw/zinc/04/09/69/1050040969.db2.gz RWJDRQZZRYUGDX-UHFFFAOYSA-N 1 0 316.445 4.358 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cscc1C(F)(F)F ZINC000589512962 1050042294 /nfs/dbraw/zinc/04/22/94/1050042294.db2.gz LNVNZFQJRWMGKC-HNNXBMFYSA-N 1 0 322.355 4.416 20 30 DIEDRO C=CCCCC[NH+]1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001209200562 1050043873 /nfs/dbraw/zinc/04/38/73/1050043873.db2.gz LGBFVHMFHCVFOG-UHFFFAOYSA-N 1 0 301.405 4.102 20 30 DIEDRO C=CCCCC[NH+]1CCC(C(=O)c2ccc(F)cc2F)CC1 ZINC001209205235 1050043950 /nfs/dbraw/zinc/04/39/50/1050043950.db2.gz QJDRVJUSAPWCFF-UHFFFAOYSA-N 1 0 307.384 4.216 20 30 DIEDRO COc1cc(C#N)ccc1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001209328328 1050052823 /nfs/dbraw/zinc/05/28/23/1050052823.db2.gz HOEAZCWANADFDO-UHFFFAOYSA-N 1 0 321.424 4.120 20 30 DIEDRO C=CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C(C)(C)C ZINC001209360251 1050053742 /nfs/dbraw/zinc/05/37/42/1050053742.db2.gz YQPBQMYUXNZDLV-UHFFFAOYSA-N 1 0 312.498 4.358 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001209423025 1050057144 /nfs/dbraw/zinc/05/71/44/1050057144.db2.gz MMCKXZUQMVMBEL-SJORKVTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC001209427086 1050057350 /nfs/dbraw/zinc/05/73/50/1050057350.db2.gz FSPKCALESOCAFP-UHFFFAOYSA-N 1 0 312.457 4.109 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001209422975 1050057813 /nfs/dbraw/zinc/05/78/13/1050057813.db2.gz BFVITCPAOGPOEV-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCCC[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001209427094 1050057894 /nfs/dbraw/zinc/05/78/94/1050057894.db2.gz FURQOPAOVAQUNV-UHFFFAOYSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001209435369 1050058676 /nfs/dbraw/zinc/05/86/76/1050058676.db2.gz BVDPUWMDCNKHFO-KRWDZBQOSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001209435788 1050059088 /nfs/dbraw/zinc/05/90/88/1050059088.db2.gz NJORYGAIHSOFJP-IRXDYDNUSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC2(CC(=O)N(C(C)C)C2)CC1 ZINC001209441697 1050059338 /nfs/dbraw/zinc/05/93/38/1050059338.db2.gz JPQWDBDLGDBWBT-UHFFFAOYSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209436907 1050059354 /nfs/dbraw/zinc/05/93/54/1050059354.db2.gz ZKMQPPQPQGIQIX-KRWDZBQOSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC001209439175 1050059761 /nfs/dbraw/zinc/05/97/61/1050059761.db2.gz JMQHEXUFOGAEFZ-UHFFFAOYSA-N 1 0 308.510 4.140 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCC[C@@]2(CCCC(=O)N2CC=C)C1 ZINC001209436077 1050059776 /nfs/dbraw/zinc/05/97/76/1050059776.db2.gz QAXFAXPVVIAHSU-FQEVSTJZSA-N 1 0 318.505 4.156 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(CCOC[C@H]2COCC)CC1 ZINC001209437810 1050059856 /nfs/dbraw/zinc/05/98/56/1050059856.db2.gz VDQNBZAZJKDCNV-LJQANCHMSA-N 1 0 323.521 4.278 20 30 DIEDRO C=CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001209437877 1050059878 /nfs/dbraw/zinc/05/98/78/1050059878.db2.gz XKDZYJWEFYNSDT-DLBZAZTESA-N 1 0 318.486 4.064 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCC[C@]2(C[C@H](CCOC)CO2)C1 ZINC001209442508 1050059992 /nfs/dbraw/zinc/05/99/92/1050059992.db2.gz WGFZQDXMEVEZQT-PMACEKPBSA-N 1 0 323.521 4.421 20 30 DIEDRO C=CCCCCCCCC[NH+]1CC(CNC(=O)OC(C)(C)C)C1 ZINC001209443030 1050060022 /nfs/dbraw/zinc/06/00/22/1050060022.db2.gz KMOBORFRQJWIOB-UHFFFAOYSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCCCCC[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001209442630 1050060489 /nfs/dbraw/zinc/06/04/89/1050060489.db2.gz ADIZYLVEKVHBIS-LJQANCHMSA-N 1 0 306.494 4.038 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001209444828 1050060801 /nfs/dbraw/zinc/06/08/01/1050060801.db2.gz ZUOIBQSMKZYBSL-UHFFFAOYSA-N 1 0 306.494 4.038 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000590067209 1050076533 /nfs/dbraw/zinc/07/65/33/1050076533.db2.gz CSQYWHBGFZZBQE-OQLLNIDSSA-N 1 0 324.399 4.037 20 30 DIEDRO Cn1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000590068684 1050076733 /nfs/dbraw/zinc/07/67/33/1050076733.db2.gz ODNNQUAJSDNRJK-SFHVURJKSA-N 1 0 318.424 4.098 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000590122672 1050078154 /nfs/dbraw/zinc/07/81/54/1050078154.db2.gz ZCVYPWPVGPCFBB-FQEVSTJZSA-N 1 0 303.409 4.391 20 30 DIEDRO CCc1nc(C(C)C)ccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000590153557 1050078708 /nfs/dbraw/zinc/07/87/08/1050078708.db2.gz DACVPGUSPDVSQZ-UHFFFAOYSA-N 1 0 307.441 4.271 20 30 DIEDRO CC(C)c1ccc(OC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000590154273 1050079427 /nfs/dbraw/zinc/07/94/27/1050079427.db2.gz XNCSKTJOTSSXBT-SJLPKXTDSA-N 1 0 312.457 4.345 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2cc(F)cc(F)c2C#N)cc1 ZINC001209824821 1050090094 /nfs/dbraw/zinc/09/00/94/1050090094.db2.gz SCZBTYWZOMBZDH-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ccc(C#N)c(F)c2F)cc1 ZINC001209823942 1050090196 /nfs/dbraw/zinc/09/01/96/1050090196.db2.gz CNBHDULEEZYLSW-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO COc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)ccc1Cl ZINC000590712986 1050103856 /nfs/dbraw/zinc/10/38/56/1050103856.db2.gz IYDSRCMVHSXPDC-KRWDZBQOSA-N 1 0 314.816 4.483 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000590969937 1050115890 /nfs/dbraw/zinc/11/58/90/1050115890.db2.gz GNDVXEVNYFXOBV-KRWDZBQOSA-N 1 0 321.468 4.384 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1cccc(F)c1C#N)c1ccccc1 ZINC000057797447 1050118110 /nfs/dbraw/zinc/11/81/10/1050118110.db2.gz OQXROJNZKOYQDR-LJQANCHMSA-N 1 0 311.404 4.192 20 30 DIEDRO CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591246492 1050132251 /nfs/dbraw/zinc/13/22/51/1050132251.db2.gz VMVMGTSHMZWRQW-HXUWFJFHSA-N 1 0 319.452 4.418 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@@H]1C[C@H]1c1cccs1 ZINC000591348123 1050142113 /nfs/dbraw/zinc/14/21/13/1050142113.db2.gz SDTUHYIPPTWJOJ-IUHNQTRMSA-N 1 0 308.450 4.389 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733778773 1050154612 /nfs/dbraw/zinc/15/46/12/1050154612.db2.gz HCRSAZZAXFIDAJ-MOPGFXCFSA-N 1 0 322.537 4.460 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1)C1CCC1 ZINC000823848302 1050161453 /nfs/dbraw/zinc/16/14/53/1050161453.db2.gz RXXFODJCXFZQBV-DLBZAZTESA-N 1 0 316.445 4.044 20 30 DIEDRO C=CCOCCC[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000347966568 1050165384 /nfs/dbraw/zinc/16/53/84/1050165384.db2.gz OFNQQJXGVOQZDL-UHFFFAOYSA-N 1 0 305.443 4.244 20 30 DIEDRO Cc1nc(CC[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cs1 ZINC000348049336 1050169739 /nfs/dbraw/zinc/16/97/39/1050169739.db2.gz QLOMVBMXXMBFLK-UHFFFAOYSA-N 1 0 313.470 4.024 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000824011951 1050173569 /nfs/dbraw/zinc/17/35/69/1050173569.db2.gz IZRGYRLNJCSWEK-URSIVYNOSA-N 1 0 310.441 4.495 20 30 DIEDRO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000573402313 1050174201 /nfs/dbraw/zinc/17/42/01/1050174201.db2.gz DYSLMVXZZWEABX-OTVXOJSOSA-N 1 0 314.326 4.250 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000591578401 1050176104 /nfs/dbraw/zinc/17/61/04/1050176104.db2.gz YWJWKMWTUTZRHV-RTWAWAEBSA-N 1 0 317.436 4.185 20 30 DIEDRO CC[NH+](CC)C[C@H](C)OCc1ccc(-c2ccccc2C#N)cc1 ZINC001210247664 1050179019 /nfs/dbraw/zinc/17/90/19/1050179019.db2.gz ZCTKUOYGXRCFIA-KRWDZBQOSA-N 1 0 322.452 4.472 20 30 DIEDRO CC[N@@H+]1CCC[C@@H](OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001210246534 1050179891 /nfs/dbraw/zinc/17/98/91/1050179891.db2.gz MRKFJPIOUMQXII-HXUWFJFHSA-N 1 0 320.436 4.226 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824171774 1050189823 /nfs/dbraw/zinc/18/98/23/1050189823.db2.gz IPRNUWOBHBIPLA-INIZCTEOSA-N 1 0 313.470 4.166 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)nc1 ZINC000824231353 1050191200 /nfs/dbraw/zinc/19/12/00/1050191200.db2.gz MXEJSMRYVCSAQB-NVXWUHKLSA-N 1 0 311.816 4.033 20 30 DIEDRO C[N@H+](Cc1cc2c(cccc2Cl)[nH]1)Cc1cccc(C#N)c1 ZINC001136863462 1050200953 /nfs/dbraw/zinc/20/09/53/1050200953.db2.gz COLLUMOFHQNUAI-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@H]2CCCC[C@H]2C)cc1 ZINC000734005157 1050213453 /nfs/dbraw/zinc/21/34/53/1050213453.db2.gz XXHFNMBDRXAUJA-NUJGCVRESA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3c(F)cccc32)cc1 ZINC000824469071 1050217076 /nfs/dbraw/zinc/21/70/76/1050217076.db2.gz WBZIPBIDOUBKLU-VBKZILBWSA-N 1 0 324.399 4.284 20 30 DIEDRO Cc1cc(C#N)cc(Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC001210389788 1050229545 /nfs/dbraw/zinc/22/95/45/1050229545.db2.gz XWCIGUFFVCUCPE-UHFFFAOYSA-N 1 0 305.425 4.249 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)cc1 ZINC000771390943 1050247585 /nfs/dbraw/zinc/24/75/85/1050247585.db2.gz ZMLGYOQLHJCJAU-OWCLPIDISA-N 1 0 323.864 4.284 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC12CCC2 ZINC000771463738 1050252209 /nfs/dbraw/zinc/25/22/09/1050252209.db2.gz MAUYXSLJBUFVMI-AWEZNQCLSA-N 1 0 318.848 4.254 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CC[C@H]3Cc3ccccc3)cc2)CC1 ZINC000824882968 1050254544 /nfs/dbraw/zinc/25/45/44/1050254544.db2.gz FECVKFIZZRSZSR-FQEVSTJZSA-N 1 0 302.421 4.059 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000824932251 1050258356 /nfs/dbraw/zinc/25/83/56/1050258356.db2.gz MPSGZWNIGUELCT-QXAKKESOSA-N 1 0 302.462 4.416 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)o1 ZINC001171072014 1050261164 /nfs/dbraw/zinc/26/11/64/1050261164.db2.gz HSRGRCOSTLEPAR-LBPRGKRZSA-N 1 0 321.207 4.105 20 30 DIEDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000771534441 1050263594 /nfs/dbraw/zinc/26/35/94/1050263594.db2.gz VOUXPAWMTPZSGT-MRXNPFEDSA-N 1 0 307.441 4.207 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000825090555 1050275379 /nfs/dbraw/zinc/27/53/79/1050275379.db2.gz BSFJOYBHESRLTC-YQVWRLOYSA-N 1 0 302.462 4.416 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cc2cccc(OC)c2o1)c1ccncc1 ZINC000734509372 1050279678 /nfs/dbraw/zinc/27/96/78/1050279678.db2.gz KMJBPHSBDIYMFR-KRWDZBQOSA-N 1 0 308.381 4.243 20 30 DIEDRO CCCCC[C@H]([NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C ZINC000734508666 1050279791 /nfs/dbraw/zinc/27/97/91/1050279791.db2.gz KFNQJOIRMOEZFO-TXPKVOOTSA-N 1 0 323.525 4.014 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(OC)c(O[C@H](C)CC)c2)c1 ZINC000825227406 1050290044 /nfs/dbraw/zinc/29/00/44/1050290044.db2.gz TUDPMAVFGCSCNV-MRXNPFEDSA-N 1 0 323.436 4.144 20 30 DIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CC(F)F ZINC000592392407 1050292763 /nfs/dbraw/zinc/29/27/63/1050292763.db2.gz RIEPLRCWPMCRSX-NXVRBGIVSA-N 1 0 306.400 4.271 20 30 DIEDRO N#Cc1cc(F)ccc1Nc1cc[nH+]cc1Oc1ccccc1 ZINC001210550993 1050293530 /nfs/dbraw/zinc/29/35/30/1050293530.db2.gz DEDCOOLXLXTAQK-UHFFFAOYSA-N 1 0 305.312 4.050 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC(C)(C)C1 ZINC000825331976 1050296164 /nfs/dbraw/zinc/29/61/64/1050296164.db2.gz OWBFAQFZOGKGNY-HNNXBMFYSA-N 1 0 300.446 4.376 20 30 DIEDRO CC(C)COc1cccc(C[NH+]2CCC(CCC#N)CC2)c1 ZINC000592517255 1050315178 /nfs/dbraw/zinc/31/51/78/1050315178.db2.gz MTNBIIVXFTUGOB-UHFFFAOYSA-N 1 0 300.446 4.237 20 30 DIEDRO C=CCC[C@H](NC(=O)CCCC[NH+]1CCCC1)c1ccccc1 ZINC000772168673 1050334593 /nfs/dbraw/zinc/33/45/93/1050334593.db2.gz DLFYPUKXLOYNBI-IBGZPJMESA-N 1 0 314.473 4.076 20 30 DIEDRO CCCCCCC[C@H](C)N[C@H]([C@H]1CCC[NH2+]C1)C(F)(F)F ZINC001246484975 1050335154 /nfs/dbraw/zinc/33/51/54/1050335154.db2.gz GBZHNSKOFAGRPM-SOUVJXGZSA-N 1 0 308.432 4.256 20 30 DIEDRO N#Cc1oc2ccccc2c1N=C1CCC([NH+]2CCCC2)CC1 ZINC001210707589 1050341147 /nfs/dbraw/zinc/34/11/47/1050341147.db2.gz YXULBIGXNZYHKL-OAHLLOKOSA-N 1 0 307.397 4.249 20 30 DIEDRO N#Cc1c(F)c(Cl)ccc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210711875 1050343366 /nfs/dbraw/zinc/34/33/66/1050343366.db2.gz AFOGVTDDZHEDGP-CYBMUJFWSA-N 1 0 319.811 4.295 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@@H](SC)C2)c(O)c1 ZINC000735228897 1050355803 /nfs/dbraw/zinc/35/58/03/1050355803.db2.gz KQHNTVUHLBFGLL-JNCYRGSCSA-N 1 0 320.502 4.332 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@H](SC)C2)c(O)c1 ZINC000735228896 1050356282 /nfs/dbraw/zinc/35/62/82/1050356282.db2.gz KQHNTVUHLBFGLL-FTLAUBJRSA-N 1 0 320.502 4.332 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3CCc4cc(Cl)ccc4C3)(CC1)CC2 ZINC001171105273 1050356697 /nfs/dbraw/zinc/35/66/97/1050356697.db2.gz RDBQHGOOABGAOM-VIQWUECVSA-N 1 0 314.860 4.403 20 30 DIEDRO N#CCc1c[nH]c2ccc(-c3ccccc3C[NH+]3CCCC3)cc12 ZINC000592985318 1050360109 /nfs/dbraw/zinc/36/01/09/1050360109.db2.gz DXBRMYXTCXIRTE-UHFFFAOYSA-N 1 0 315.420 4.497 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000592367527 1050363564 /nfs/dbraw/zinc/36/35/64/1050363564.db2.gz RBVSJSPQGFVALI-SXGZJXTBSA-N 1 0 306.409 4.053 20 30 DIEDRO Cc1ccccc1C1([NH2+]CCCC2(C#N)CCOCC2)CCC1 ZINC000593039499 1050363931 /nfs/dbraw/zinc/36/39/31/1050363931.db2.gz MBTRBBUNZOWWQN-UHFFFAOYSA-N 1 0 312.457 4.064 20 30 DIEDRO C[C@H]1CC(=O)C=C(Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001210776014 1050367614 /nfs/dbraw/zinc/36/76/14/1050367614.db2.gz KSLAOFKJWXCQEE-MRXNPFEDSA-N 1 0 312.457 4.010 20 30 DIEDRO C[C@H](c1cccs1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735308600 1050373482 /nfs/dbraw/zinc/37/34/82/1050373482.db2.gz KQHREWQYACFCTD-GFCCVEGCSA-N 1 0 320.845 4.497 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000735308344 1050374168 /nfs/dbraw/zinc/37/41/68/1050374168.db2.gz IEQYYIZFNYNDMJ-QGZVFWFLSA-N 1 0 318.848 4.397 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001143812762 1050374143 /nfs/dbraw/zinc/37/41/43/1050374143.db2.gz YLGGGBWWADFTSE-UHFFFAOYSA-N 1 0 301.739 4.204 20 30 DIEDRO C#CC[N@H+](Cc1nccc2ccccc21)[C@H]1CCc2ccccc21 ZINC000772600701 1050376013 /nfs/dbraw/zinc/37/60/13/1050376013.db2.gz WOXIEQJBMMJJRO-QFIPXVFZSA-N 1 0 312.416 4.358 20 30 DIEDRO C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(OCC#N)cc2)c1 ZINC000844231367 1050382332 /nfs/dbraw/zinc/38/23/32/1050382332.db2.gz RETWXLNPVRTSJD-MRXNPFEDSA-N 1 0 306.409 4.240 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccccc1 ZINC000785503181 1050383162 /nfs/dbraw/zinc/38/31/62/1050383162.db2.gz IVZZBTRVETVHBE-MRXNPFEDSA-N 1 0 308.406 4.257 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000785525035 1050385695 /nfs/dbraw/zinc/38/56/95/1050385695.db2.gz XGDHALLXSSLXCJ-OAHLLOKOSA-N 1 0 320.392 4.424 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccsc1 ZINC000785567716 1050395747 /nfs/dbraw/zinc/39/57/47/1050395747.db2.gz OIOSLIJFBUXQOJ-MRXNPFEDSA-N 1 0 300.427 4.259 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000785751717 1050409608 /nfs/dbraw/zinc/40/96/08/1050409608.db2.gz GCSIPAGIQVKJCP-HOTGVXAUSA-N 1 0 310.482 4.110 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)cc1 ZINC000593635434 1050429770 /nfs/dbraw/zinc/42/97/70/1050429770.db2.gz LJQIGTILOWOZTP-INIZCTEOSA-N 1 0 314.791 4.322 20 30 DIEDRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1(C#N)CCCC1 ZINC000593654746 1050432364 /nfs/dbraw/zinc/43/23/64/1050432364.db2.gz MRJPAZDMMKGUBL-GXDHUFHOSA-N 1 0 320.383 4.365 20 30 DIEDRO C=C(Cl)C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000735925287 1050439038 /nfs/dbraw/zinc/43/90/38/1050439038.db2.gz AOWDGAMLACKLEF-UHFFFAOYSA-N 1 0 316.832 4.120 20 30 DIEDRO CCCCCCCCCCN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000785974881 1050440061 /nfs/dbraw/zinc/44/00/61/1050440061.db2.gz IKUVSLOUGJQSHQ-IBGZPJMESA-N 1 0 324.553 4.312 20 30 DIEDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CCCCC#N)c2C1 ZINC000593973276 1050465629 /nfs/dbraw/zinc/46/56/29/1050465629.db2.gz JSZTWIUVPXHSJM-UHFFFAOYSA-N 1 0 313.445 4.071 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(CCc3ccc(F)cc3F)CC2)C1 ZINC000594019021 1050466772 /nfs/dbraw/zinc/46/67/72/1050466772.db2.gz CRWCGVZDPWVNKI-QAPCUYQASA-N 1 0 318.411 4.302 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027193 1050468660 /nfs/dbraw/zinc/46/86/60/1050468660.db2.gz SFOXICUURZPISG-GOSISDBHSA-N 1 0 312.457 4.021 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027194 1050468824 /nfs/dbraw/zinc/46/88/24/1050468824.db2.gz SFOXICUURZPISG-SFHVURJKSA-N 1 0 312.457 4.021 20 30 DIEDRO CCc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cc(CC)c1O ZINC001144151566 1050483455 /nfs/dbraw/zinc/48/34/55/1050483455.db2.gz YEXWEKLMGGWWSW-UHFFFAOYSA-N 1 0 308.425 4.021 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000736629671 1050486380 /nfs/dbraw/zinc/48/63/80/1050486380.db2.gz STMVSTYVTDAFRY-MAUKXSAKSA-N 1 0 324.399 4.106 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000766220761 1050492170 /nfs/dbraw/zinc/49/21/70/1050492170.db2.gz CCFQZEZBTPCXRC-RYUDHWBXSA-N 1 0 300.229 4.152 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(C#N)cc2C(F)(F)F)c1 ZINC001211137365 1050492136 /nfs/dbraw/zinc/49/21/36/1050492136.db2.gz RXFPPCOEIZKJDI-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO Cc1cc2c(c(C)c1)[C@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CC2 ZINC000594497632 1050518446 /nfs/dbraw/zinc/51/84/46/1050518446.db2.gz JDHJZLYIXAURGE-LJQANCHMSA-N 1 0 302.421 4.441 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594496710 1050518570 /nfs/dbraw/zinc/51/85/70/1050518570.db2.gz SATDWTFDQOCMNJ-UHFFFAOYSA-N 1 0 310.466 4.499 20 30 DIEDRO Cc1ccc(C[NH+](C)C)cc1NCc1ccc(C(C)(C)C#N)cc1 ZINC000594504889 1050521285 /nfs/dbraw/zinc/52/12/85/1050521285.db2.gz NIQPPAQMLGLAEQ-UHFFFAOYSA-N 1 0 321.468 4.470 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000594504325 1050521333 /nfs/dbraw/zinc/52/13/33/1050521333.db2.gz NCNPLUNDQVGIAK-SFHVURJKSA-N 1 0 324.399 4.240 20 30 DIEDRO Cc1csc([C@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594501357 1050521836 /nfs/dbraw/zinc/52/18/36/1050521836.db2.gz UOTLWPWXSCMMHY-CYBMUJFWSA-N 1 0 313.470 4.146 20 30 DIEDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594500358 1050522143 /nfs/dbraw/zinc/52/21/43/1050522143.db2.gz PLESXIHJYIXNJR-RTBURBONSA-N 1 0 314.473 4.171 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786870982 1050523567 /nfs/dbraw/zinc/52/35/67/1050523567.db2.gz UXVPQNNNAMCVNL-HOTGVXAUSA-N 1 0 315.461 4.002 20 30 DIEDRO CCC[NH+]1CCC(CNc2cccc(C(F)F)c2C#N)CC1 ZINC000594549344 1050523953 /nfs/dbraw/zinc/52/39/53/1050523953.db2.gz NWBSKTJRZBMGDM-UHFFFAOYSA-N 1 0 307.388 4.030 20 30 DIEDRO Cc1ccc(-c2ncc(C[NH2+]CC(C)(C)CC#N)s2)cc1C ZINC000594508697 1050526303 /nfs/dbraw/zinc/52/63/03/1050526303.db2.gz URQIPMGJRXKCJD-UHFFFAOYSA-N 1 0 313.470 4.456 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+]C1(c3ccc(C#N)cc3)CCC1)CCC2 ZINC000594512214 1050526736 /nfs/dbraw/zinc/52/67/36/1050526736.db2.gz CEJADVBVECJKFC-QGZVFWFLSA-N 1 0 323.465 4.370 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(C#N)c(F)c1 ZINC000594517612 1050528554 /nfs/dbraw/zinc/52/85/54/1050528554.db2.gz KQCSGDBJXTYHGX-CQSZACIVSA-N 1 0 319.383 4.299 20 30 DIEDRO Cc1c([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cnn1C(C)C ZINC000594517709 1050529268 /nfs/dbraw/zinc/52/92/68/1050529268.db2.gz MAQDAMDZLMSKFW-OAHLLOKOSA-N 1 0 322.456 4.374 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4cc(F)ccc43)CCC2)cc1 ZINC000594517551 1050529309 /nfs/dbraw/zinc/52/93/09/1050529309.db2.gz YOKNNNUZCIMYLL-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000738343148 1050530554 /nfs/dbraw/zinc/53/05/54/1050530554.db2.gz ZGIWNGOALVYYRF-HNNXBMFYSA-N 1 0 324.399 4.086 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(C)s2)cc1 ZINC000738435338 1050534976 /nfs/dbraw/zinc/53/49/76/1050534976.db2.gz GLYBSEJTBIVZJA-HNNXBMFYSA-N 1 0 313.466 4.179 20 30 DIEDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2cccc(C(F)F)c2C#N)C1 ZINC000594569929 1050538024 /nfs/dbraw/zinc/53/80/24/1050538024.db2.gz PYAKOWZAAQYWFZ-KRWDZBQOSA-N 1 0 313.351 4.094 20 30 DIEDRO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H](C)c1cccnc1 ZINC000594606884 1050539812 /nfs/dbraw/zinc/53/98/12/1050539812.db2.gz MQMFQYHMGYDZPQ-INIZCTEOSA-N 1 0 307.441 4.466 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)c2c1c(F)ccc2O ZINC000787025382 1050540090 /nfs/dbraw/zinc/54/00/90/1050540090.db2.gz GHEQWRJHKSJDAK-NVGVWMPQSA-N 1 0 322.383 4.228 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)c2c1c(F)ccc2O ZINC000787025385 1050540583 /nfs/dbraw/zinc/54/05/83/1050540583.db2.gz GHEQWRJHKSJDAK-SSKCKEOISA-N 1 0 322.383 4.228 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(N(C)C)cc1 ZINC000787025447 1050541129 /nfs/dbraw/zinc/54/11/29/1050541129.db2.gz GTRMOWWZPZQYGF-LEWJYISDSA-N 1 0 319.452 4.352 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(N(C)C)cc1 ZINC000787025453 1050541675 /nfs/dbraw/zinc/54/16/75/1050541675.db2.gz GTRMOWWZPZQYGF-RTWAWAEBSA-N 1 0 319.452 4.352 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(O)c1C ZINC000787036427 1050542153 /nfs/dbraw/zinc/54/21/53/1050542153.db2.gz YXACXOUYSSIDGB-LIRRHRJNSA-N 1 0 306.409 4.219 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000787029903 1050542827 /nfs/dbraw/zinc/54/28/27/1050542827.db2.gz ZAUCAPCELCIKMX-UXHICEINSA-N 1 0 318.420 4.221 20 30 DIEDRO SC1CC[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171160515 1050543017 /nfs/dbraw/zinc/54/30/17/1050543017.db2.gz BUEFBCCQIHTOKH-GFCCVEGCSA-N 1 0 316.297 4.245 20 30 DIEDRO CCC[N@H+](CCC#N)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171165284 1050546895 /nfs/dbraw/zinc/54/68/95/1050546895.db2.gz RXQANUUXRQTBCV-CQSZACIVSA-N 1 0 311.256 4.476 20 30 DIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(CC#N)c(C)c3)c2c1 ZINC001171167031 1050549084 /nfs/dbraw/zinc/54/90/84/1050549084.db2.gz GBEVTYTUACTEKX-INIZCTEOSA-N 1 0 317.436 4.203 20 30 DIEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(OC(F)F)cc1 ZINC000594717489 1050549520 /nfs/dbraw/zinc/54/95/20/1050549520.db2.gz MMDOUNUVABDAGJ-ZDUSSCGKSA-N 1 0 308.372 4.413 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(C#N)cc1 ZINC000594720786 1050549736 /nfs/dbraw/zinc/54/97/36/1050549736.db2.gz KQUBPNVPHABHIX-CYBMUJFWSA-N 1 0 310.372 4.089 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3CC(c4ccccc4)C3)cc2)CC1 ZINC000594920943 1050562912 /nfs/dbraw/zinc/56/29/12/1050562912.db2.gz MYAQOEJBGDWNCE-UHFFFAOYSA-N 1 0 302.421 4.278 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(F)c1 ZINC000594920389 1050563547 /nfs/dbraw/zinc/56/35/47/1050563547.db2.gz FMJYAMOVSQFYIW-UHFFFAOYSA-N 1 0 308.400 4.406 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594923662 1050563975 /nfs/dbraw/zinc/56/39/75/1050563975.db2.gz IZXYYGJXHBMBOG-OAHLLOKOSA-N 1 0 306.409 4.101 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(OC)cc1 ZINC000594916574 1050564158 /nfs/dbraw/zinc/56/41/58/1050564158.db2.gz GNLWQKRWXIAQFG-FQEVSTJZSA-N 1 0 320.436 4.491 20 30 DIEDRO Cc1cc2cc(C[NH3+])ccc2n1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171174635 1050564281 /nfs/dbraw/zinc/56/42/81/1050564281.db2.gz BBUNVEPBIWPDTG-AWEZNQCLSA-N 1 0 303.409 4.084 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC001171174824 1050564492 /nfs/dbraw/zinc/56/44/92/1050564492.db2.gz DEHRNGTUNYETAS-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cccc(F)c2Cl)no1 ZINC001211436751 1050566988 /nfs/dbraw/zinc/56/69/88/1050566988.db2.gz VYGRMZGLNJZKPD-UHFFFAOYSA-N 1 0 321.783 4.028 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cccc3c2CCCC3)no1 ZINC001211436602 1050567581 /nfs/dbraw/zinc/56/75/81/1050567581.db2.gz RCRCYICPMHUKDA-UHFFFAOYSA-N 1 0 323.440 4.115 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3COc4c3cccc4Cl)cc2)CC1 ZINC000594933030 1050572324 /nfs/dbraw/zinc/57/23/24/1050572324.db2.gz XUQGNCYOFUZHLD-QGZVFWFLSA-N 1 0 324.811 4.118 20 30 DIEDRO CC(C)([NH2+]Cc1cnc(C2CCC2)s1)c1cccc(C#N)c1 ZINC000594967911 1050574318 /nfs/dbraw/zinc/57/43/18/1050574318.db2.gz IZPQBFZKOQPYKN-UHFFFAOYSA-N 1 0 311.454 4.307 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001171179255 1050574612 /nfs/dbraw/zinc/57/46/12/1050574612.db2.gz PXPBCZKANJPJJH-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO CCCNc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594938053 1050574888 /nfs/dbraw/zinc/57/48/88/1050574888.db2.gz KWHUOFHWLYUYGU-UHFFFAOYSA-N 1 0 319.452 4.353 20 30 DIEDRO CC(C)OC1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594938891 1050575399 /nfs/dbraw/zinc/57/53/99/1050575399.db2.gz TXZRLUJSHMPTDY-UHFFFAOYSA-N 1 0 312.457 4.068 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171179268 1050575698 /nfs/dbraw/zinc/57/56/98/1050575698.db2.gz QBFGOCXFJHGBBP-LSDHHAIUSA-N 1 0 303.409 4.336 20 30 DIEDRO Cc1ccc2cc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)[nH]c2c1 ZINC000594938463 1050576522 /nfs/dbraw/zinc/57/65/22/1050576522.db2.gz LHDZVBORGNVDMS-IBGZPJMESA-N 1 0 301.393 4.125 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000594945584 1050577693 /nfs/dbraw/zinc/57/76/93/1050577693.db2.gz FUVNKQGXVMEUBH-UHFFFAOYSA-N 1 0 313.376 4.042 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(F)c1F ZINC000594939966 1050577869 /nfs/dbraw/zinc/57/78/69/1050577869.db2.gz WZSFFSSGXUYOKX-CYBMUJFWSA-N 1 0 312.363 4.371 20 30 DIEDRO Cc1ccccc1C1([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594950419 1050578185 /nfs/dbraw/zinc/57/81/85/1050578185.db2.gz KGFJMQFSCGCKDE-UHFFFAOYSA-N 1 0 302.421 4.329 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594946287 1050578660 /nfs/dbraw/zinc/57/86/60/1050578660.db2.gz NBRSLKDCIBSPKA-QGZVFWFLSA-N 1 0 319.452 4.138 20 30 DIEDRO Cc1c2[nH]ccc2ccc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171183035 1050582253 /nfs/dbraw/zinc/58/22/53/1050582253.db2.gz ZZKUFJLCYQCMMU-UHFFFAOYSA-N 1 0 315.376 4.372 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000594954379 1050582061 /nfs/dbraw/zinc/58/20/61/1050582061.db2.gz KZTSUPIYLYHNOK-HNNXBMFYSA-N 1 0 319.880 4.086 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)c(Cl)c1F ZINC001171184401 1050584029 /nfs/dbraw/zinc/58/40/29/1050584029.db2.gz MOTLGPFOELCAOC-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2ccccc2F)C(C)C)ccc1C#N ZINC000594968075 1050584330 /nfs/dbraw/zinc/58/43/30/1050584330.db2.gz DQJXKTIBJOXVSK-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC001171183665 1050584615 /nfs/dbraw/zinc/58/46/15/1050584615.db2.gz ICKOGCVUFZMTHK-VFNWGFHPSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc2ccccc2c1 ZINC001171184191 1050584792 /nfs/dbraw/zinc/58/47/92/1050584792.db2.gz LILXJEJXFWFQSE-QGZVFWFLSA-N 1 0 314.432 4.475 20 30 DIEDRO [NH2+]=C(Nc1ccc2c(c1)CCC2)c1ccc2cc(O)ccc2c1 ZINC001171185356 1050585364 /nfs/dbraw/zinc/58/53/64/1050585364.db2.gz VUKIXTQZEQIFIT-UHFFFAOYSA-N 1 0 302.377 4.071 20 30 DIEDRO [NH2+]=C(Nc1cnc2ccccc2c1)c1ccc2cc(O)ccc2c1 ZINC001171185443 1050587004 /nfs/dbraw/zinc/58/70/04/1050587004.db2.gz XGLZXYJVJIMYGI-UHFFFAOYSA-N 1 0 313.360 4.131 20 30 DIEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C12CCC2 ZINC000594989685 1050589761 /nfs/dbraw/zinc/58/97/61/1050589761.db2.gz VTRZOWXTENDUSC-GARNVTTQSA-N 1 0 304.478 4.175 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CCC(F)CC1 ZINC000594988619 1050590011 /nfs/dbraw/zinc/59/00/11/1050590011.db2.gz AMMSTEQHMQKBDJ-MXWWQKGMSA-N 1 0 300.421 4.248 20 30 DIEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C12CCC2 ZINC000594989686 1050591122 /nfs/dbraw/zinc/59/11/22/1050591122.db2.gz VTRZOWXTENDUSC-LPMVOBIJSA-N 1 0 304.478 4.175 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C1CCC(F)CC1 ZINC000594990410 1050591219 /nfs/dbraw/zinc/59/12/19/1050591219.db2.gz QEPDCRAYYQOHOH-MXWWQKGMSA-N 1 0 302.437 4.494 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171190951 1050593886 /nfs/dbraw/zinc/59/38/86/1050593886.db2.gz ZJOWKVLEQDNCMA-HUUCEWRRSA-N 1 0 312.844 4.363 20 30 DIEDRO CC(C)C[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1ccccn1 ZINC001171191728 1050594199 /nfs/dbraw/zinc/59/41/99/1050594199.db2.gz DQHFBTQBTNZPFH-OXJNMPFZSA-N 1 0 307.441 4.261 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000595059141 1050594505 /nfs/dbraw/zinc/59/45/05/1050594505.db2.gz LSGBRRICALANEL-AEFFLSMTSA-N 1 0 305.487 4.053 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccccc1F)C1CC1 ZINC001171191951 1050594582 /nfs/dbraw/zinc/59/45/82/1050594582.db2.gz IVSYHNLIMSDZNE-JLTOFOAXSA-N 1 0 308.400 4.369 20 30 DIEDRO C=CCCSCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000595059068 1050594990 /nfs/dbraw/zinc/59/49/90/1050594990.db2.gz KRXCRKNLLHCRAN-MRXNPFEDSA-N 1 0 318.511 4.326 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000595060267 1050595458 /nfs/dbraw/zinc/59/54/58/1050595458.db2.gz LXYNTCCAOZVCKY-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171192950 1050596544 /nfs/dbraw/zinc/59/65/44/1050596544.db2.gz RAEUAAGQUDUOHD-VBKZILBWSA-N 1 0 324.855 4.290 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171192084 1050598723 /nfs/dbraw/zinc/59/87/23/1050598723.db2.gz KDNDNLORZUHHQG-DLBZAZTESA-N 1 0 320.436 4.405 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2cnccc2o1 ZINC000595030616 1050598977 /nfs/dbraw/zinc/59/89/77/1050598977.db2.gz SWGFVXAYYVBTLY-CYBMUJFWSA-N 1 0 303.365 4.039 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000595035206 1050599716 /nfs/dbraw/zinc/59/97/16/1050599716.db2.gz HUANKRIRUUIJGU-MZTCLCMBSA-N 1 0 305.487 4.210 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595043078 1050600553 /nfs/dbraw/zinc/60/05/53/1050600553.db2.gz FWJQIRVVQUDDKZ-SCLBCKFNSA-N 1 0 317.392 4.428 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595045558 1050600829 /nfs/dbraw/zinc/60/08/29/1050600829.db2.gz NTGVLBGOICBSBS-SJCJKPOMSA-N 1 0 303.365 4.038 20 30 DIEDRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(CC#N)CC1 ZINC000595047129 1050602178 /nfs/dbraw/zinc/60/21/78/1050602178.db2.gz DOMOMODBMHYAET-HNNXBMFYSA-N 1 0 310.363 4.310 20 30 DIEDRO COc1cccc(C(C)(C)[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171195937 1050604676 /nfs/dbraw/zinc/60/46/76/1050604676.db2.gz WNRSSAORWXCRDL-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000574870053 1050605002 /nfs/dbraw/zinc/60/50/02/1050605002.db2.gz WMPYWNFJEYGSRK-SMDDNHRTSA-N 1 0 317.845 4.245 20 30 DIEDRO CC[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595079648 1050609641 /nfs/dbraw/zinc/60/96/41/1050609641.db2.gz GDHFAPUAPVYXOK-UYAOXDASSA-N 1 0 311.473 4.006 20 30 DIEDRO CC1(C)[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1(F)F ZINC000595095279 1050610957 /nfs/dbraw/zinc/61/09/57/1050610957.db2.gz VPEJWKCAHSJZFX-PQUAAJSLSA-N 1 0 318.411 4.271 20 30 DIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000595090998 1050611679 /nfs/dbraw/zinc/61/16/79/1050611679.db2.gz LSMUXPBUWAJAMG-MRXNPFEDSA-N 1 0 322.456 4.305 20 30 DIEDRO COc1cccc(C2([NH2+][C@H](C)c3ccc(C#N)c(F)c3)CCC2)c1 ZINC000595094330 1050612060 /nfs/dbraw/zinc/61/20/60/1050612060.db2.gz WVRFOORGOOGLOG-CQSZACIVSA-N 1 0 324.399 4.436 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1cccc(F)c1)C1CC1 ZINC001171198481 1050612940 /nfs/dbraw/zinc/61/29/40/1050612940.db2.gz MOIOQNUFAVFGDY-VBKZILBWSA-N 1 0 308.400 4.369 20 30 DIEDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(C#N)cc1 ZINC000595097201 1050613119 /nfs/dbraw/zinc/61/31/19/1050613119.db2.gz SNYUJCZYWWUQLP-ACRUOGEOSA-N 1 0 322.452 4.357 20 30 DIEDRO CC[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(OC)c(OC)c1 ZINC000595096696 1050613663 /nfs/dbraw/zinc/61/36/63/1050613663.db2.gz FJGSVENYGSRDPO-INIZCTEOSA-N 1 0 316.445 4.219 20 30 DIEDRO CC[N@H+](Cc1cnc2ccccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000595295415 1050619011 /nfs/dbraw/zinc/61/90/11/1050619011.db2.gz LXXCTBYLXFHMQL-OAHLLOKOSA-N 1 0 316.408 4.085 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C)c2ccccc23)cc1 ZINC001144580771 1050618927 /nfs/dbraw/zinc/61/89/27/1050618927.db2.gz IQSBGKMOVQXRMS-QGZVFWFLSA-N 1 0 317.432 4.250 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001144576200 1050621195 /nfs/dbraw/zinc/62/11/95/1050621195.db2.gz FWMAMDPWLUTRQA-UHFFFAOYSA-N 1 0 303.327 4.319 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H](C)CCCC(C)C)C2 ZINC001170078126 1050622072 /nfs/dbraw/zinc/62/20/72/1050622072.db2.gz QAIVSZKEIMGYAG-ICSRJNTNSA-N 1 0 320.521 4.234 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(Cl)s1 ZINC001171201637 1050628168 /nfs/dbraw/zinc/62/81/68/1050628168.db2.gz PDEWCYXLGZGADF-GFCCVEGCSA-N 1 0 304.846 4.036 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)CCC2 ZINC001171201206 1050633357 /nfs/dbraw/zinc/63/33/57/1050633357.db2.gz IRVBQVGXTOBSDV-IERDGZPVSA-N 1 0 304.437 4.465 20 30 DIEDRO CC(C)Oc1ccnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000593001312 1050633541 /nfs/dbraw/zinc/63/35/41/1050633541.db2.gz DLWGOOSONRWHFL-UHFFFAOYSA-N 1 0 323.440 4.151 20 30 DIEDRO C#CC(C)(C)[N@@H+](C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000787996998 1050635315 /nfs/dbraw/zinc/63/53/15/1050635315.db2.gz DRZPSKGJDCOVHR-UHFFFAOYSA-N 1 0 311.425 4.068 20 30 DIEDRO COCCCC[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1 ZINC000595471039 1050635658 /nfs/dbraw/zinc/63/56/58/1050635658.db2.gz ZLPVDTIKWAEDRX-OAQYLSRUSA-N 1 0 322.452 4.248 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000595492423 1050636728 /nfs/dbraw/zinc/63/67/28/1050636728.db2.gz HKRRITVCTPIEGF-CVEARBPZSA-N 1 0 310.363 4.154 20 30 DIEDRO CCCCCCCC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000740875868 1050637053 /nfs/dbraw/zinc/63/70/53/1050637053.db2.gz ISEVRHFUJXWITI-UHFFFAOYSA-N 1 0 322.518 4.303 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000595491393 1050637367 /nfs/dbraw/zinc/63/73/67/1050637367.db2.gz VVKDGXAKVBSXDG-IYBDPMFKSA-N 1 0 310.363 4.154 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000740876993 1050637677 /nfs/dbraw/zinc/63/76/77/1050637677.db2.gz SDUMACZLVQCMPM-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)CCC2 ZINC001171202335 1050639207 /nfs/dbraw/zinc/63/92/07/1050639207.db2.gz YWTVXVQYOYMOSJ-QVKFZJNVSA-N 1 0 320.436 4.165 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000845975993 1050639655 /nfs/dbraw/zinc/63/96/55/1050639655.db2.gz DJFZKSVWSUNLPN-OAGGEKHMSA-N 1 0 310.482 4.014 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001171204020 1050640104 /nfs/dbraw/zinc/64/01/04/1050640104.db2.gz RFZGIEZRRNVMFD-ZNZDAUKMSA-N 1 0 310.828 4.288 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCc2ccccc2CC1 ZINC001171204092 1050640846 /nfs/dbraw/zinc/64/08/46/1050640846.db2.gz SSQUMDCYYIWNOF-MRXNPFEDSA-N 1 0 304.437 4.026 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000845983762 1050641137 /nfs/dbraw/zinc/64/11/37/1050641137.db2.gz ZOQFOQHAMCLZJM-LTIDMASMSA-N 1 0 322.493 4.014 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](C)CCCC(C)C)C2 ZINC001170080884 1050643220 /nfs/dbraw/zinc/64/32/20/1050643220.db2.gz AOAWTYUBURPAPN-FHWLQOOXSA-N 1 0 309.494 4.027 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](C)CCCC(C)C)C2 ZINC001170080890 1050643291 /nfs/dbraw/zinc/64/32/91/1050643291.db2.gz AOAWTYUBURPAPN-QYZOEREBSA-N 1 0 309.494 4.027 20 30 DIEDRO Cc1ccccc1C1([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CCC1 ZINC000845994706 1050648910 /nfs/dbraw/zinc/64/89/10/1050648910.db2.gz JASCOHVIMMXYQW-KRWDZBQOSA-N 1 0 320.436 4.455 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595638353 1050655792 /nfs/dbraw/zinc/65/57/92/1050655792.db2.gz BARYWFNJWQKCQW-UHFFFAOYSA-N 1 0 323.440 4.155 20 30 DIEDRO N#CC1(CCC[NH2+][C@H]2CCCC23CCCCC3)CCOCC1 ZINC000595605624 1050656063 /nfs/dbraw/zinc/65/60/63/1050656063.db2.gz RIAWWUUFGCAAEQ-KRWDZBQOSA-N 1 0 304.478 4.180 20 30 DIEDRO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613858 1050657257 /nfs/dbraw/zinc/65/72/57/1050657257.db2.gz IOTULOHZCMCNJL-CHWSQXEVSA-N 1 0 312.335 4.272 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000595695503 1050660993 /nfs/dbraw/zinc/66/09/93/1050660993.db2.gz YZHNKJDUNCIRES-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000593112501 1050666305 /nfs/dbraw/zinc/66/63/05/1050666305.db2.gz QFZKJIUGSHVSHH-UHFFFAOYSA-N 1 0 316.326 4.356 20 30 DIEDRO COc1cccc([C@@]2(C)CC[N@H+](CCCCC(C)(C)C#N)C2)c1 ZINC000595762854 1050666365 /nfs/dbraw/zinc/66/63/65/1050666365.db2.gz ADBJMXKQQLGHRF-FQEVSTJZSA-N 1 0 314.473 4.379 20 30 DIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000746743112 1050669544 /nfs/dbraw/zinc/66/95/44/1050669544.db2.gz VUIIGQQWYFOQKN-UHFFFAOYSA-N 1 0 324.424 4.036 20 30 DIEDRO C[C@@]1(C#N)CCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000595843042 1050671323 /nfs/dbraw/zinc/67/13/23/1050671323.db2.gz XRTSSTAIFFTHGJ-FQEVSTJZSA-N 1 0 306.409 4.001 20 30 DIEDRO C[C@@]1(C#N)CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000595840856 1050671363 /nfs/dbraw/zinc/67/13/63/1050671363.db2.gz QDEQRCAAZJUUTC-FQEVSTJZSA-N 1 0 324.399 4.140 20 30 DIEDRO C[N@H+](CC1=CCSC1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000595887185 1050672977 /nfs/dbraw/zinc/67/29/77/1050672977.db2.gz BLNXQTPVHSEAIW-UHFFFAOYSA-N 1 0 320.461 4.330 20 30 DIEDRO C[NH+](C)[C@@H]1CCCC(N=Nc2nc(-c3ccccc3)cs2)C1 ZINC000788422742 1050676331 /nfs/dbraw/zinc/67/63/31/1050676331.db2.gz KLADEGGFTWGKKS-OAHLLOKOSA-N 1 0 314.458 4.082 20 30 DIEDRO C[NH+](C)[C@H]1CCCC(=NOCc2ccc(C(F)(F)F)cc2)C1 ZINC000788437819 1050679570 /nfs/dbraw/zinc/67/95/70/1050679570.db2.gz VULFGRSPDBBASV-HNNXBMFYSA-N 1 0 314.351 4.082 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](c2cccnc2)C2CCCCC2)c1 ZINC000846170735 1050680017 /nfs/dbraw/zinc/68/00/17/1050680017.db2.gz ZEACIEJDYIJHHW-NRFANRHFSA-N 1 0 304.437 4.474 20 30 DIEDRO C[NH+](C)[C@H]1CCCC(N=Nc2ccnc3cc(Cl)ccc23)C1 ZINC000788407860 1050680748 /nfs/dbraw/zinc/68/07/48/1050680748.db2.gz GOPNMHSVNTVXPL-AWEZNQCLSA-N 1 0 316.836 4.160 20 30 DIEDRO COc1cccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1O ZINC000846169608 1050681062 /nfs/dbraw/zinc/68/10/62/1050681062.db2.gz IIIILJYZEPHZRJ-MAUKXSAKSA-N 1 0 324.424 4.487 20 30 DIEDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1O ZINC000846172324 1050681798 /nfs/dbraw/zinc/68/17/98/1050681798.db2.gz LEWUXMNEHSQJPQ-SCLBCKFNSA-N 1 0 322.408 4.001 20 30 DIEDRO CC[C@H](/[NH+]=C/c1ccc(N(CC)CC)cc1O)c1ccncc1 ZINC000741466523 1050682944 /nfs/dbraw/zinc/68/29/44/1050682944.db2.gz UNIQDVNRBIVMRK-SXZORUHJSA-N 1 0 311.429 4.204 20 30 DIEDRO C[C@]1(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@@]1(F)Cl ZINC000846186671 1050690774 /nfs/dbraw/zinc/69/07/74/1050690774.db2.gz ZIHDHYRAKOAZEJ-IKGGRYGDSA-N 1 0 306.812 4.230 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000788520409 1050696745 /nfs/dbraw/zinc/69/67/45/1050696745.db2.gz VNPZSXBNAHLKGW-SFHVURJKSA-N 1 0 319.408 4.139 20 30 DIEDRO CC(C)Oc1ccc2[nH+]ccc(N3CCC[C@@H](CC#N)C3)c2c1 ZINC000596326388 1050707922 /nfs/dbraw/zinc/70/79/22/1050707922.db2.gz SVYUBTPVGPEDKW-HNNXBMFYSA-N 1 0 309.413 4.152 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1cccc2cccnc21 ZINC001171221437 1050712215 /nfs/dbraw/zinc/71/22/15/1050712215.db2.gz NIULGDJQZJFPRQ-INIZCTEOSA-N 1 0 315.420 4.169 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001171221674 1050714087 /nfs/dbraw/zinc/71/40/87/1050714087.db2.gz RRQNFFUGWXCGDP-YWZLYKJASA-N 1 0 308.400 4.465 20 30 DIEDRO C=CCCCCCCCCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001144798392 1050716898 /nfs/dbraw/zinc/71/68/98/1050716898.db2.gz NMYBGFLOKCFRLT-SFHVURJKSA-N 1 0 308.510 4.141 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171223641 1050719344 /nfs/dbraw/zinc/71/93/44/1050719344.db2.gz NNTVGOMRCHWLLQ-IERDGZPVSA-N 1 0 320.436 4.335 20 30 DIEDRO C[NH2+]CCc1cn([C@@H](C)Cc2cccc(C#N)c2)c2ccccc12 ZINC001171230667 1050724615 /nfs/dbraw/zinc/72/46/15/1050724615.db2.gz XGQDKVKNFYVGMY-INIZCTEOSA-N 1 0 317.436 4.079 20 30 DIEDRO COc1cccc(CCC[N@H+](C)[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171229435 1050725441 /nfs/dbraw/zinc/72/54/41/1050725441.db2.gz NKAPOEVWUKZJJM-QGZVFWFLSA-N 1 0 322.452 4.062 20 30 DIEDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171232752 1050726506 /nfs/dbraw/zinc/72/65/06/1050726506.db2.gz WAOCBQQAJXWBPQ-KRWDZBQOSA-N 1 0 321.468 4.077 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCSc2ccccc2C1 ZINC001171230340 1050728213 /nfs/dbraw/zinc/72/82/13/1050728213.db2.gz UUUNKKSRUBCUIU-OAHLLOKOSA-N 1 0 308.450 4.097 20 30 DIEDRO CC[C@@H](/[NH+]=C/c1ccc(N(CC)CC)cc1O)c1nccs1 ZINC000737444404 1050729516 /nfs/dbraw/zinc/72/95/16/1050729516.db2.gz QSUQVUISOLQDSG-IYSPOMMRSA-N 1 0 317.458 4.265 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001171234084 1050731964 /nfs/dbraw/zinc/73/19/64/1050731964.db2.gz KLHJVNBUZAPKCW-IIBYNOLFSA-N 1 0 322.427 4.335 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(N(C)CC)cc1 ZINC000741752957 1050737144 /nfs/dbraw/zinc/73/71/44/1050737144.db2.gz KMMJEPYRXHOGRZ-UHFFFAOYSA-N 1 0 300.471 4.392 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000596650395 1050764353 /nfs/dbraw/zinc/76/43/53/1050764353.db2.gz HWPVSLRVUBIVLU-LEWJYISDSA-N 1 0 317.436 4.185 20 30 DIEDRO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)nn1 ZINC000846842274 1050768685 /nfs/dbraw/zinc/76/86/85/1050768685.db2.gz SGGXBDLTSBLOCF-FQEVSTJZSA-N 1 0 324.472 4.265 20 30 DIEDRO C#CC[N@@H+](CCn1ccc2cc(Cl)ccc21)Cc1ccccc1 ZINC001170094536 1050777400 /nfs/dbraw/zinc/77/74/00/1050777400.db2.gz ITNALGFIFOTITB-UHFFFAOYSA-N 1 0 322.839 4.430 20 30 DIEDRO N#Cc1ccc(NCC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000060355872 1050780760 /nfs/dbraw/zinc/78/07/60/1050780760.db2.gz KJCJEUUNXVEHDL-UHFFFAOYSA-N 1 0 323.415 4.021 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C)cc32)cc1 ZINC000772958524 1050785697 /nfs/dbraw/zinc/78/56/97/1050785697.db2.gz HDPOQHUJSOHEHV-IERDGZPVSA-N 1 0 305.421 4.345 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(C)cc32)cc1 ZINC000772958528 1050786268 /nfs/dbraw/zinc/78/62/68/1050786268.db2.gz HDPOQHUJSOHEHV-KKSFZXQISA-N 1 0 305.421 4.345 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958288 1050793644 /nfs/dbraw/zinc/79/36/44/1050793644.db2.gz DOOQXVQPXBPCQI-SUMWQHHRSA-N 1 0 310.422 4.087 20 30 DIEDRO CC[N@H+](Cc1cc(COC)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984944 1050795165 /nfs/dbraw/zinc/79/51/65/1050795165.db2.gz YGKHRJUPZFCPSC-AWEZNQCLSA-N 1 0 314.454 4.349 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596991049 1050797941 /nfs/dbraw/zinc/79/79/41/1050797941.db2.gz HPDUQBDXUFQKRC-UHFFFAOYSA-N 1 0 308.400 4.055 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC000597014149 1050798223 /nfs/dbraw/zinc/79/82/23/1050798223.db2.gz OQXJQBJXSZLHJB-QZTJIDSGSA-N 1 0 312.482 4.102 20 30 DIEDRO C[C@]1(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1(Cl)Cl ZINC000847060780 1050803092 /nfs/dbraw/zinc/80/30/92/1050803092.db2.gz SDFJFKPYVXCSFK-CQSZACIVSA-N 1 0 309.240 4.111 20 30 DIEDRO C[C@@H](C#N)C[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000597081460 1050805460 /nfs/dbraw/zinc/80/54/60/1050805460.db2.gz AGPAJVYNZVXBDN-UWVGGRQHSA-N 1 0 304.743 4.039 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597084516 1050805739 /nfs/dbraw/zinc/80/57/39/1050805739.db2.gz VYVCTVMKOCHOHW-UZLBHIALSA-N 1 0 317.436 4.220 20 30 DIEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772959843 1050808676 /nfs/dbraw/zinc/80/86/76/1050808676.db2.gz OPDYUIMFAOLDPG-HKUYNNGSSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088524 1050809078 /nfs/dbraw/zinc/80/90/78/1050809078.db2.gz OZVXAYGDGGJOPY-CJNGLKHVSA-N 1 0 322.374 4.405 20 30 DIEDRO CC(C)[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772960180 1050809245 /nfs/dbraw/zinc/80/92/45/1050809245.db2.gz UCFHFZPIABEOHH-OAQYLSRUSA-N 1 0 322.452 4.336 20 30 DIEDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133024 1050810650 /nfs/dbraw/zinc/81/06/50/1050810650.db2.gz PZJZBHZOGUXILW-LJQANCHMSA-N 1 0 305.425 4.220 20 30 DIEDRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597137367 1050811291 /nfs/dbraw/zinc/81/12/91/1050811291.db2.gz GFHJQCRIIODATA-CZUORRHYSA-N 1 0 322.374 4.405 20 30 DIEDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469671 1050814283 /nfs/dbraw/zinc/81/42/83/1050814283.db2.gz SPEOHAFPPSSIAX-AWEZNQCLSA-N 1 0 309.369 4.050 20 30 DIEDRO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2cccc3ccccc32)n1 ZINC000789325580 1050815604 /nfs/dbraw/zinc/81/56/04/1050815604.db2.gz HFEGFELWPKHLQY-QGZVFWFLSA-N 1 0 317.436 4.253 20 30 DIEDRO CC(C)CCOc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000597174362 1050819564 /nfs/dbraw/zinc/81/95/64/1050819564.db2.gz PKMIIHZXJPLQSC-KRWDZBQOSA-N 1 0 300.446 4.237 20 30 DIEDRO Cc1ncsc1-c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000597178184 1050820351 /nfs/dbraw/zinc/82/03/51/1050820351.db2.gz WCBIBPXWOQFVIF-OAHLLOKOSA-N 1 0 311.454 4.244 20 30 DIEDRO C[C@@H](C[N@@H+]1CCC[C@H](CC#N)C1)c1cccc(Br)c1 ZINC000597176260 1050821223 /nfs/dbraw/zinc/82/12/23/1050821223.db2.gz GXTJABRHYHDTFB-UONOGXRCSA-N 1 0 321.262 4.178 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]CCCCC2(C#N)CCC2)C12CCCC2 ZINC001170104405 1050821635 /nfs/dbraw/zinc/82/16/35/1050821635.db2.gz HJUGVORXCXJJSR-IRXDYDNUSA-N 1 0 304.478 4.178 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000742368993 1050821880 /nfs/dbraw/zinc/82/18/80/1050821880.db2.gz UBNWEYDRAOJWBW-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000742368992 1050822485 /nfs/dbraw/zinc/82/24/85/1050822485.db2.gz UBNWEYDRAOJWBW-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)cc1C#N ZINC000742367650 1050822539 /nfs/dbraw/zinc/82/25/39/1050822539.db2.gz DTLWVVMNQNTWRW-UHFFFAOYSA-N 1 0 324.424 4.034 20 30 DIEDRO COc1ccc(C[NH2+]C[C@H](c2ccccc2)C(C)C)cc1C#N ZINC000742366827 1050822635 /nfs/dbraw/zinc/82/26/35/1050822635.db2.gz VJNQVFYKOWTMIF-IBGZPJMESA-N 1 0 308.425 4.096 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)cc1C#N ZINC000742368195 1050822671 /nfs/dbraw/zinc/82/26/71/1050822671.db2.gz YSPVOVXULSPPDX-UXHICEINSA-N 1 0 320.436 4.383 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1CNc1cc(Cl)nc2sccc21 ZINC001160952832 1050824055 /nfs/dbraw/zinc/82/40/55/1050824055.db2.gz DQPGUUWBHKQBMI-NSHDSACASA-N 1 0 307.850 4.012 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(OC3CCCC3)c2)c1 ZINC000742381987 1050824571 /nfs/dbraw/zinc/82/45/71/1050824571.db2.gz WAFIFJZYHKIJQI-UHFFFAOYSA-N 1 0 324.399 4.309 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]CCC2(C#N)CCCCC2)C12CCCC2 ZINC001170105661 1050824823 /nfs/dbraw/zinc/82/48/23/1050824823.db2.gz RCNGIWVOXYONRU-SJORKVTESA-N 1 0 304.478 4.178 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]CCC2(C#N)CCCCC2)C12CCCC2 ZINC001170105659 1050826278 /nfs/dbraw/zinc/82/62/78/1050826278.db2.gz RCNGIWVOXYONRU-IAGOWNOFSA-N 1 0 304.478 4.178 20 30 DIEDRO C#CCCC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000742385148 1050827068 /nfs/dbraw/zinc/82/70/68/1050827068.db2.gz VHSYEIOKKHGORD-UHFFFAOYSA-N 1 0 318.214 4.212 20 30 DIEDRO CC([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)(C1CC1)C1CC1 ZINC000597234016 1050827385 /nfs/dbraw/zinc/82/73/85/1050827385.db2.gz FWBZZRSHRKJJSE-UHFFFAOYSA-N 1 0 308.347 4.245 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc2nccnc2c1)c1ccccc1 ZINC000602023646 1050890723 /nfs/dbraw/zinc/89/07/23/1050890723.db2.gz KCIHICWXAMOOIS-SFHVURJKSA-N 1 0 316.408 4.155 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCCC2(C)C)c1 ZINC000772985469 1050904384 /nfs/dbraw/zinc/90/43/84/1050904384.db2.gz RSXKOSHVLRTUAA-AEFFLSMTSA-N 1 0 300.446 4.426 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000772986249 1050919612 /nfs/dbraw/zinc/91/96/12/1050919612.db2.gz CASAMYXVQQDEBM-HXUWFJFHSA-N 1 0 305.421 4.330 20 30 DIEDRO C=C(C[NH2+]Cc1sc2nc(C)nc(C)c2c1C)c1ccccc1 ZINC000742718066 1050931451 /nfs/dbraw/zinc/93/14/51/1050931451.db2.gz KCFFFWNFENOJMJ-UHFFFAOYSA-N 1 0 323.465 4.420 20 30 DIEDRO CC[N@H+](CCOc1ccccc1C)Cc1c(C)cc(C#N)cc1C ZINC001171355206 1051010946 /nfs/dbraw/zinc/01/09/46/1051010946.db2.gz WOSQVGGCOWEXQR-UHFFFAOYSA-N 1 0 322.452 4.384 20 30 DIEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000773010169 1051021077 /nfs/dbraw/zinc/02/10/77/1051021077.db2.gz JAFVQXMASLXCOC-NSHDSACASA-N 1 0 301.427 4.018 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)C1CC1 ZINC000773014259 1051022952 /nfs/dbraw/zinc/02/29/52/1051022952.db2.gz JOVVYPDNQDZJCD-LSDHHAIUSA-N 1 0 314.256 4.361 20 30 DIEDRO C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001170148085 1051026592 /nfs/dbraw/zinc/02/65/92/1051026592.db2.gz FZDXGVKFYBZGSH-HIFRSBDPSA-N 1 0 318.848 4.243 20 30 DIEDRO Cc1cccc(C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C2CC2)c1 ZINC000773030121 1051029962 /nfs/dbraw/zinc/02/99/62/1051029962.db2.gz KUVBIFGWDSCSSP-HXUWFJFHSA-N 1 0 308.400 4.117 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000743477401 1051033979 /nfs/dbraw/zinc/03/39/79/1051033979.db2.gz ROIOSTZPUJYZEG-KXBFYZLASA-N 1 0 319.408 4.090 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400444989 1051043290 /nfs/dbraw/zinc/04/32/90/1051043290.db2.gz NIVHNQZBXBIDPA-HNNXBMFYSA-N 1 0 324.509 4.214 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(OCC(=C)Cl)cc1 ZINC000773059044 1051044850 /nfs/dbraw/zinc/04/48/50/1051044850.db2.gz KQTCTMDAKGAZOS-HNNXBMFYSA-N 1 0 309.837 4.061 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cnccc1/C=C/[NH+](C)C ZINC001171376085 1051045969 /nfs/dbraw/zinc/04/59/69/1051045969.db2.gz NHWONHITPBOOKS-SICOMBFOSA-N 1 0 323.440 4.352 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(OC)cc1 ZINC000773077363 1051052667 /nfs/dbraw/zinc/05/26/67/1051052667.db2.gz RHVLDKWAVMXJCT-IBGZPJMESA-N 1 0 324.424 4.206 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1c(F)cccc1F ZINC000791569065 1051058609 /nfs/dbraw/zinc/05/86/09/1051058609.db2.gz RMRKQHMZFVEBQK-GOSISDBHSA-N 1 0 317.379 4.077 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)cc1C#N ZINC000773086096 1051059086 /nfs/dbraw/zinc/05/90/86/1051059086.db2.gz YHYOIRMYNCOWIW-KBXCAEBGSA-N 1 0 306.409 4.213 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000773117794 1051068007 /nfs/dbraw/zinc/06/80/07/1051068007.db2.gz WZJHEFMDMXDXDQ-UWJYYQICSA-N 1 0 315.420 4.288 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000773133703 1051072650 /nfs/dbraw/zinc/07/26/50/1051072650.db2.gz RTKWTESCTOECEL-ZIAGYGMSSA-N 1 0 315.363 4.389 20 30 DIEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000743854155 1051076354 /nfs/dbraw/zinc/07/63/54/1051076354.db2.gz NCJGSGAXPSILFZ-JKIFEVAISA-N 1 0 318.848 4.395 20 30 DIEDRO CCCCC[C@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000773147816 1051081406 /nfs/dbraw/zinc/08/14/06/1051081406.db2.gz VLJWKDYCNWPKSJ-ZLPCBKJTSA-N 1 0 315.461 4.202 20 30 DIEDRO C=C(Br)C[N@@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743868499 1051086150 /nfs/dbraw/zinc/08/61/50/1051086150.db2.gz BEGNVNIAFYHDEK-OAHLLOKOSA-N 1 0 314.242 4.233 20 30 DIEDRO C[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000743876370 1051088045 /nfs/dbraw/zinc/08/80/45/1051088045.db2.gz YXDRRWWHWCTDGW-LPHOPBHVSA-N 1 0 324.424 4.393 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2c(F)cccc2C1)c1cccc(C#N)c1 ZINC001171410707 1051100505 /nfs/dbraw/zinc/10/05/05/1051100505.db2.gz WTDJBAGNOAACTK-FXAWDEMLSA-N 1 0 308.400 4.296 20 30 DIEDRO C=CCN(CCc1ccccc1)Cn1ccn(C(C)C)c1=S ZINC000744154115 1051122421 /nfs/dbraw/zinc/12/24/21/1051122421.db2.gz ZJNZNXUGRLPQBX-UHFFFAOYSA-N 1 0 315.486 4.288 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000792221776 1051126057 /nfs/dbraw/zinc/12/60/57/1051126057.db2.gz OKTFBNFTLQCUMF-QGZVFWFLSA-N 1 0 318.509 4.154 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000792205417 1051126106 /nfs/dbraw/zinc/12/61/06/1051126106.db2.gz REGUONWUUNAAJG-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)cc1F ZINC000792240021 1051128060 /nfs/dbraw/zinc/12/80/60/1051128060.db2.gz FOPVKFXFSSWUOP-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1F ZINC000792231152 1051129071 /nfs/dbraw/zinc/12/90/71/1051129071.db2.gz KHZZVUFBTGAVJT-UHFFFAOYSA-N 1 0 324.399 4.348 20 30 DIEDRO COc1c(C)cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1Cl ZINC000796695844 1051134926 /nfs/dbraw/zinc/13/49/26/1051134926.db2.gz PQPDOVSZRBYHNK-ZDUSSCGKSA-N 1 0 314.816 4.380 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3CCc4cc(F)c(F)cc4C3)(CC1)CC2 ZINC001171462856 1051142234 /nfs/dbraw/zinc/14/22/34/1051142234.db2.gz KPTPWZOWOWWPPI-MNNVXMFVSA-N 1 0 316.395 4.028 20 30 DIEDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001171490588 1051143866 /nfs/dbraw/zinc/14/38/66/1051143866.db2.gz QLUMHHKAOFQCBO-HXUWFJFHSA-N 1 0 308.400 4.295 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC001171489940 1051144169 /nfs/dbraw/zinc/14/41/69/1051144169.db2.gz KMZWKVCMLGDIOO-ZIAGYGMSSA-N 1 0 306.247 4.245 20 30 DIEDRO N#Cc1ccc(CNc2ccc3c(c2)[nH]c2cc[nH+]cc23)s1 ZINC001170202156 1051155827 /nfs/dbraw/zinc/15/58/27/1051155827.db2.gz VONRTILEQCOAHR-UHFFFAOYSA-N 1 0 304.378 4.261 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@H](C)Cc2ccccc2Cl)cc1C ZINC001170264401 1051168206 /nfs/dbraw/zinc/16/82/06/1051168206.db2.gz YRSQGYGLCXDSHE-CQSZACIVSA-N 1 0 300.833 4.293 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc4cccnc43)CCC2)cc1 ZINC001171567999 1051170454 /nfs/dbraw/zinc/17/04/54/1051170454.db2.gz SADJXLZQQNBHAG-UHFFFAOYSA-N 1 0 313.404 4.275 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC001171571717 1051170642 /nfs/dbraw/zinc/17/06/42/1051170642.db2.gz AECJZTVVOITEAL-LBPRGKRZSA-N 1 0 318.214 4.041 20 30 DIEDRO Fc1ccc(C#CC[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC001170252142 1051173758 /nfs/dbraw/zinc/17/37/58/1051173758.db2.gz AEUGYAGSCLQNPC-UHFFFAOYSA-N 1 0 313.803 4.500 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccs1 ZINC000182562183 1051177799 /nfs/dbraw/zinc/17/77/99/1051177799.db2.gz QHENRIQAKIVEPX-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO C#CC[N@@H+](C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171653774 1051184259 /nfs/dbraw/zinc/18/42/59/1051184259.db2.gz KOTGRMOPYQLHDG-UHFFFAOYSA-N 1 0 306.247 4.040 20 30 DIEDRO Cc1ccc(CC[C@H](C)NC(=[NH2+])c2ccc3ccccc3n2)cc1 ZINC001171663587 1051185841 /nfs/dbraw/zinc/18/58/41/1051185841.db2.gz NKTDXQMXVGAHOI-INIZCTEOSA-N 1 0 317.436 4.270 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC001171664205 1051186033 /nfs/dbraw/zinc/18/60/33/1051186033.db2.gz UEXMLOWPINEOJZ-SFHVURJKSA-N 1 0 322.452 4.247 20 30 DIEDRO CC(C)(S)CNc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001170307270 1051187214 /nfs/dbraw/zinc/18/72/14/1051187214.db2.gz RMRPHSWCUSUIAY-UHFFFAOYSA-N 1 0 312.482 4.323 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCC(F)CC2)CC1 ZINC001170355718 1051188049 /nfs/dbraw/zinc/18/80/49/1051188049.db2.gz QGBBUUDHBACODY-UHFFFAOYSA-N 1 0 300.421 4.261 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(O)cc1 ZINC001170359003 1051188772 /nfs/dbraw/zinc/18/87/72/1051188772.db2.gz LJLKDPWKNKDKAY-YQHFOJDRSA-N 1 0 320.436 4.447 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(F)cn1 ZINC001170359396 1051189708 /nfs/dbraw/zinc/18/97/08/1051189708.db2.gz VMMFFHSORQXSRJ-MYWSLZCHSA-N 1 0 323.415 4.275 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3cccnc32)CC1 ZINC001170362305 1051191351 /nfs/dbraw/zinc/19/13/51/1051191351.db2.gz VSAPCCQLBPXJRO-SCCNAQOGSA-N 1 0 317.436 4.063 20 30 DIEDRO CC[N@H+](Cc1cccnc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388811 1051195706 /nfs/dbraw/zinc/19/57/06/1051195706.db2.gz GNRIWZRZAFNOQQ-UHFFFAOYSA-N 1 0 319.452 4.308 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170388841 1051195815 /nfs/dbraw/zinc/19/58/15/1051195815.db2.gz HKWGBXPVFUPWQX-QHGAOEGBSA-N 1 0 307.441 4.016 20 30 DIEDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395717 1051196812 /nfs/dbraw/zinc/19/68/12/1051196812.db2.gz NHXIRVHBQXGEMU-DOFOLRJGSA-N 1 0 324.468 4.032 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001171707876 1051197609 /nfs/dbraw/zinc/19/76/09/1051197609.db2.gz YKGXKXNCCRTRHJ-IBGZPJMESA-N 1 0 319.876 4.207 20 30 DIEDRO Cc1ccc(C[N@@H+](C)C2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC001170397380 1051197707 /nfs/dbraw/zinc/19/77/07/1051197707.db2.gz AGBVMNLDAJACLO-UHFFFAOYSA-N 1 0 319.452 4.226 20 30 DIEDRO Cc1cc2c(cn1)C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170396338 1051197887 /nfs/dbraw/zinc/19/78/87/1051197887.db2.gz YQWSHGWGNMPKHZ-UHFFFAOYSA-N 1 0 317.436 4.110 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@H]1Cc2cccc(F)c2C1)c1cccc(C#N)c1 ZINC001171783013 1051217668 /nfs/dbraw/zinc/21/76/68/1051217668.db2.gz IIKYPVXQCZNALH-FXAWDEMLSA-N 1 0 308.400 4.151 20 30 DIEDRO COCC#CC[NH2+][C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001171799390 1051222985 /nfs/dbraw/zinc/22/29/85/1051222985.db2.gz OPWBBHGQJNOSDD-ZWKOTPCHSA-N 1 0 323.436 4.127 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC001171846742 1051230562 /nfs/dbraw/zinc/23/05/62/1051230562.db2.gz DJVHSUSFVRTXES-OAHLLOKOSA-N 1 0 318.486 4.025 20 30 DIEDRO CC(C)C[N@H+](CCO[C@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC000792927696 1051231713 /nfs/dbraw/zinc/23/17/13/1051231713.db2.gz RXIOIKVHHWKXIG-CABCVRRESA-N 1 0 308.853 4.288 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001171847746 1051232604 /nfs/dbraw/zinc/23/26/04/1051232604.db2.gz QXKSJFLIMFFWMX-ZDUSSCGKSA-N 1 0 319.246 4.109 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001171847745 1051234166 /nfs/dbraw/zinc/23/41/66/1051234166.db2.gz QXKSJFLIMFFWMX-CYBMUJFWSA-N 1 0 319.246 4.109 20 30 DIEDRO CCC(C)(C)[C@@H](C)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001171917478 1051240567 /nfs/dbraw/zinc/24/05/67/1051240567.db2.gz XMHCYNATCVCPIO-CYBMUJFWSA-N 1 0 313.363 4.351 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC3(CCCC3)CC2)cc1 ZINC001171917503 1051240583 /nfs/dbraw/zinc/24/05/83/1051240583.db2.gz XZQJFMBLXLFDIV-UHFFFAOYSA-N 1 0 324.468 4.043 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn(CCc2ccccc2)n1 ZINC001171920580 1051240679 /nfs/dbraw/zinc/24/06/79/1051240679.db2.gz JECPENQPVTYKHS-CTNGQTDRSA-N 1 0 323.484 4.350 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@H](C)c1ccccc1 ZINC000747100739 1051241754 /nfs/dbraw/zinc/24/17/54/1051241754.db2.gz QHZFXMBMPURTRK-ZWKOTPCHSA-N 1 0 321.468 4.318 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001171920745 1051241955 /nfs/dbraw/zinc/24/19/55/1051241955.db2.gz MLOHSUDNTBAFTD-HIFRSBDPSA-N 1 0 308.809 4.473 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001171960242 1051245755 /nfs/dbraw/zinc/24/57/55/1051245755.db2.gz TVEDCOCUCCJAKK-DUVNUKRYSA-N 1 0 310.363 4.308 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171985905 1051271885 /nfs/dbraw/zinc/27/18/85/1051271885.db2.gz DFRDIMJNHVAWII-IBGZPJMESA-N 1 0 300.490 4.328 20 30 DIEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172055752 1051273017 /nfs/dbraw/zinc/27/30/17/1051273017.db2.gz CQMWECBGGPNWKF-INIZCTEOSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172050320 1051275873 /nfs/dbraw/zinc/27/58/73/1051275873.db2.gz UUNXYHIZPYXDIW-INIZCTEOSA-N 1 0 322.493 4.255 20 30 DIEDRO CC(C)(C)C#CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076686 1051276744 /nfs/dbraw/zinc/27/67/44/1051276744.db2.gz KZLFSGFPPNPESP-WKCHPHFGSA-N 1 0 324.512 4.211 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC#Cc2ccccc2)cc1 ZINC001170429625 1051282550 /nfs/dbraw/zinc/28/25/50/1051282550.db2.gz RMRNJHVXLKSOEX-JOCHJYFZSA-N 1 0 316.448 4.473 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793331280 1051283460 /nfs/dbraw/zinc/28/34/60/1051283460.db2.gz RGRCHQYUORDKHI-JKSUJKDBSA-N 1 0 322.493 4.134 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000793521769 1051306791 /nfs/dbraw/zinc/30/67/91/1051306791.db2.gz LZYMSSDKCBXYLH-SFHVURJKSA-N 1 0 315.505 4.161 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000793543856 1051316073 /nfs/dbraw/zinc/31/60/73/1051316073.db2.gz WPYBFSXRBTUQMX-GJZGRUSLSA-N 1 0 303.450 4.353 20 30 DIEDRO N#Cc1cc(N)ccc1Nc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001215712945 1051319179 /nfs/dbraw/zinc/31/91/79/1051319179.db2.gz PAERRLXEGHVXOF-UHFFFAOYSA-N 1 0 324.403 4.009 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2cccc(F)c2C#N)c1 ZINC001215725684 1051325337 /nfs/dbraw/zinc/32/53/37/1051325337.db2.gz GVVMNTSFQSHRLU-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000793620932 1051329700 /nfs/dbraw/zinc/32/97/00/1051329700.db2.gz UNYUGSXCXKYNFJ-KRWDZBQOSA-N 1 0 318.420 4.267 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001172355439 1051370685 /nfs/dbraw/zinc/37/06/85/1051370685.db2.gz OMQYGEZYISEXHK-OAHLLOKOSA-N 1 0 302.453 4.151 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001172301297 1051331493 /nfs/dbraw/zinc/33/14/93/1051331493.db2.gz MCZBSQYVGKXNKS-YJYMSZOUSA-N 1 0 310.828 4.420 20 30 DIEDRO CCC1([NH2+][C@H](C)Cc2ccc(C#N)cc2)CCC(F)(F)CC1 ZINC001172300658 1051331592 /nfs/dbraw/zinc/33/15/92/1051331592.db2.gz ZLAHLQVHEQLPKO-CQSZACIVSA-N 1 0 306.400 4.437 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001172301977 1051331662 /nfs/dbraw/zinc/33/16/62/1051331662.db2.gz ZNRYCUICKULZCZ-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001172301978 1051332096 /nfs/dbraw/zinc/33/20/96/1051332096.db2.gz ZNRYCUICKULZCZ-YJYMSZOUSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(F)cc1Cl ZINC001172300739 1051332295 /nfs/dbraw/zinc/33/22/95/1051332295.db2.gz YMCRKODLRILKPT-ZDUSSCGKSA-N 1 0 316.807 4.114 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)cc(Cl)cc1F ZINC001172303382 1051333839 /nfs/dbraw/zinc/33/38/39/1051333839.db2.gz XKNFWGOXRNZCEE-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001172307938 1051335335 /nfs/dbraw/zinc/33/53/35/1051335335.db2.gz RFEJLRGRKQEVJX-MAUKXSAKSA-N 1 0 308.400 4.118 20 30 DIEDRO COc1cccc(CCC[N@H+](C)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172310550 1051335952 /nfs/dbraw/zinc/33/59/52/1051335952.db2.gz GEJDDIKQXVOVKL-QGZVFWFLSA-N 1 0 322.452 4.062 20 30 DIEDRO CCCCCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746207375 1051336396 /nfs/dbraw/zinc/33/63/96/1051336396.db2.gz FUHYGHBFVJABJS-HKUYNNGSSA-N 1 0 320.521 4.212 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172309645 1051336477 /nfs/dbraw/zinc/33/64/77/1051336477.db2.gz AZBYEJRWJZWBBH-KKSFZXQISA-N 1 0 304.437 4.499 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2ccc(Cl)nc2C#N)cc1 ZINC001215743291 1051336711 /nfs/dbraw/zinc/33/67/11/1051336711.db2.gz WZJFBQNGPQANRS-UHFFFAOYSA-N 1 0 314.820 4.096 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001172313282 1051337042 /nfs/dbraw/zinc/33/70/42/1051337042.db2.gz TXBPXTWFMIPKMY-INIZCTEOSA-N 1 0 320.436 4.074 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001172314633 1051337555 /nfs/dbraw/zinc/33/75/55/1051337555.db2.gz KZRUUHYLKGIAHE-QRWLVFNGSA-N 1 0 308.400 4.465 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311816 1051338177 /nfs/dbraw/zinc/33/81/77/1051338177.db2.gz YYEDWXNTHSKBHR-SJORKVTESA-N 1 0 322.452 4.061 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001172311513 1051338448 /nfs/dbraw/zinc/33/84/48/1051338448.db2.gz SUSVJHIJMSXFMC-HNNXBMFYSA-N 1 0 316.404 4.294 20 30 DIEDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311989 1051338536 /nfs/dbraw/zinc/33/85/36/1051338536.db2.gz DEOCEOMTOLLHGD-QGZVFWFLSA-N 1 0 321.468 4.077 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)CCc1ccccc1Cl ZINC001172318383 1051340347 /nfs/dbraw/zinc/34/03/47/1051340347.db2.gz FOOIVWUCEOMHCD-HNNXBMFYSA-N 1 0 312.844 4.317 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001172319557 1051340661 /nfs/dbraw/zinc/34/06/61/1051340661.db2.gz OQWGMHNYNCFVGA-DNVCBOLYSA-N 1 0 308.400 4.118 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001172289781 1051346753 /nfs/dbraw/zinc/34/67/53/1051346753.db2.gz HSFIKVYTDSEYPA-CABCVRRESA-N 1 0 303.409 4.336 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC001172290922 1051347102 /nfs/dbraw/zinc/34/71/02/1051347102.db2.gz GIHDXUFMUZCCKX-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)CC(F)(F)F ZINC000402697821 1051348022 /nfs/dbraw/zinc/34/80/22/1051348022.db2.gz RDNLYEIRGKMICM-OLZOCXBDSA-N 1 0 314.351 4.218 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc2ccccc2c1 ZINC001172294999 1051349547 /nfs/dbraw/zinc/34/95/47/1051349547.db2.gz OXUJLTOGKIYOEF-INIZCTEOSA-N 1 0 300.405 4.432 20 30 DIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172301999 1051349894 /nfs/dbraw/zinc/34/98/94/1051349894.db2.gz BTFTXIBVQRFNEZ-QZTJIDSGSA-N 1 0 322.452 4.163 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC001172295609 1051350112 /nfs/dbraw/zinc/35/01/12/1051350112.db2.gz CBNAZLOFBMZPBB-JLTOFOAXSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)c1cc(F)cc(F)c1 ZINC001172298808 1051350691 /nfs/dbraw/zinc/35/06/91/1051350691.db2.gz DEAHUUKAIHFUCE-ZDUSSCGKSA-N 1 0 314.379 4.292 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC(C)(C)Cc1ccc(F)cc1 ZINC001172298110 1051351581 /nfs/dbraw/zinc/35/15/81/1051351581.db2.gz DGBLZUYCBXLOON-INIZCTEOSA-N 1 0 324.443 4.487 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(Cc2ccccc2F)CC1 ZINC001172299510 1051351667 /nfs/dbraw/zinc/35/16/67/1051351667.db2.gz LGHVMPQQMKMJPI-MRXNPFEDSA-N 1 0 322.427 4.241 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172297685 1051351729 /nfs/dbraw/zinc/35/17/29/1051351729.db2.gz RDEGPBTVZZNEBD-JKSUJKDBSA-N 1 0 308.425 4.239 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299792 1051352949 /nfs/dbraw/zinc/35/29/49/1051352949.db2.gz NXVLBOCGDDXYQD-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(C)CCC(F)(F)CC1 ZINC001172300285 1051353140 /nfs/dbraw/zinc/35/31/40/1051353140.db2.gz UTSCGMUFVIZUGM-CQSZACIVSA-N 1 0 306.400 4.294 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(Cc2cccc(F)c2)CC1 ZINC001172299922 1051353462 /nfs/dbraw/zinc/35/34/62/1051353462.db2.gz PJWZKFQVZVVXAS-MRXNPFEDSA-N 1 0 322.427 4.241 20 30 DIEDRO C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1C ZINC001172380359 1051357308 /nfs/dbraw/zinc/35/73/08/1051357308.db2.gz RVNPPZJPCJEYFZ-RYRKJORJSA-N 1 0 312.457 4.226 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001172344836 1051364159 /nfs/dbraw/zinc/36/41/59/1051364159.db2.gz VEFHUPPVFFVVDL-BBWFWOEESA-N 1 0 305.462 4.496 20 30 DIEDRO CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001172344768 1051365145 /nfs/dbraw/zinc/36/51/45/1051365145.db2.gz ZWENXIXEFUIKAA-IAGOWNOFSA-N 1 0 314.473 4.331 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCC2(CCC(=O)N2)CC1 ZINC001172349492 1051366024 /nfs/dbraw/zinc/36/60/24/1051366024.db2.gz DGXUDWOCFDZLSR-LRYGQEGESA-N 1 0 308.510 4.307 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC001172350119 1051366088 /nfs/dbraw/zinc/36/60/88/1051366088.db2.gz JVBYNKMDBAXJMD-MRXNPFEDSA-N 1 0 320.477 4.487 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(Cc2ccccn2)C1 ZINC001172349702 1051366432 /nfs/dbraw/zinc/36/64/32/1051366432.db2.gz FKYGHPZYJSNCEK-UYAOXDASSA-N 1 0 317.521 4.385 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H](CC(=O)OC)c1cccnc1 ZINC001172350083 1051366871 /nfs/dbraw/zinc/36/68/71/1051366871.db2.gz JDSMENIZQYZPJD-QZTJIDSGSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H](CCO)c1ccc(N)cc1 ZINC001172349868 1051366979 /nfs/dbraw/zinc/36/69/79/1051366979.db2.gz GXKCJRBLRZITNB-OALUTQOASA-N 1 0 306.494 4.421 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(c2cc(C)ncn2)C1 ZINC001172352085 1051368661 /nfs/dbraw/zinc/36/86/61/1051368661.db2.gz YJFPELGSQCZGRK-ZWKOTPCHSA-N 1 0 318.509 4.092 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC001172351475 1051368818 /nfs/dbraw/zinc/36/88/18/1051368818.db2.gz UXBLTUVIAPECPQ-ROUUACIJSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001172355304 1051369685 /nfs/dbraw/zinc/36/96/85/1051369685.db2.gz NSQRMKSLUZKLES-IBGZPJMESA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@H](CC)N(c1ncccn1)C1CC[NH2+]CC1 ZINC001172354024 1051370403 /nfs/dbraw/zinc/37/04/03/1051370403.db2.gz DQWGRCLAPWXCDT-KRWDZBQOSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CCN(CC)C2=O)CC1 ZINC001172359820 1051374471 /nfs/dbraw/zinc/37/44/71/1051374471.db2.gz DTYGRIGAMQEYHC-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@@H](CC)N(c1ccncn1)C1CC[NH2+]CC1 ZINC001172360066 1051374818 /nfs/dbraw/zinc/37/48/18/1051374818.db2.gz ITHWHUKVFRQHOQ-QGZVFWFLSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001172362007 1051374899 /nfs/dbraw/zinc/37/48/99/1051374899.db2.gz QRDQXEIDAKRRGU-KRWDZBQOSA-N 1 0 308.510 4.212 20 30 DIEDRO COCc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000766348606 1051393891 /nfs/dbraw/zinc/39/38/91/1051393891.db2.gz AJULNTTZUKCFOA-LSDHHAIUSA-N 1 0 324.424 4.125 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cnn(-c2ccccc2)c1 ZINC000766350915 1051397767 /nfs/dbraw/zinc/39/77/67/1051397767.db2.gz PERNRGHVDNGZMP-JKSUJKDBSA-N 1 0 316.408 4.156 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000766350477 1051399520 /nfs/dbraw/zinc/39/95/20/1051399520.db2.gz LUZJHXQERSKPFO-QRWLVFNGSA-N 1 0 307.441 4.426 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC001172475848 1051402844 /nfs/dbraw/zinc/40/28/44/1051402844.db2.gz CYGJHSWOAZRRTE-MLGOLLRUSA-N 1 0 321.262 4.498 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](c1ccnc(C(F)(F)F)c1)C1CC1 ZINC001172484656 1051403518 /nfs/dbraw/zinc/40/35/18/1051403518.db2.gz BHJYHTOBKZZACH-XHDPSFHLSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C(C)(C)c1cccc(Br)c1 ZINC001172484321 1051403945 /nfs/dbraw/zinc/40/39/45/1051403945.db2.gz COABHRSOFXYRHJ-LBPRGKRZSA-N 1 0 309.251 4.356 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1cc(-c2cccc(Cl)c2)no1 ZINC001172486157 1051403982 /nfs/dbraw/zinc/40/39/82/1051403982.db2.gz ZUOWHFPPULPJHC-GFCCVEGCSA-N 1 0 303.793 4.167 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](c1cncc(C(F)(F)F)c1)C1CC1 ZINC001172486540 1051404144 /nfs/dbraw/zinc/40/41/44/1051404144.db2.gz GAOFFLFLRCCONH-NHYWBVRUSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(-c2ccnc(F)c2)c(F)c1 ZINC001172482950 1051404234 /nfs/dbraw/zinc/40/42/34/1051404234.db2.gz LTPQQIMDBOCGJW-ZDUSSCGKSA-N 1 0 315.367 4.199 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(c2ccccc2Br)CC1 ZINC001172485723 1051404383 /nfs/dbraw/zinc/40/43/83/1051404383.db2.gz SSKMSXCJKKOSSK-GFCCVEGCSA-N 1 0 307.235 4.110 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(C(=O)c2ccccc2)cc1 ZINC001172481935 1051404505 /nfs/dbraw/zinc/40/45/05/1051404505.db2.gz ZIMUYCWAMZXHOX-MRXNPFEDSA-N 1 0 306.409 4.090 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](c1cncc(C(F)(F)F)c1)C1CC1 ZINC001172486542 1051404771 /nfs/dbraw/zinc/40/47/71/1051404771.db2.gz GAOFFLFLRCCONH-XHDPSFHLSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC001172486921 1051406347 /nfs/dbraw/zinc/40/63/47/1051406347.db2.gz FFTNIKIWVFNRHF-NWDGAFQWSA-N 1 0 300.324 4.318 20 30 DIEDRO CC(C)OCC[C@@H](C)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001172447460 1051407353 /nfs/dbraw/zinc/40/73/53/1051407353.db2.gz CYABILVQNTWENL-QGZVFWFLSA-N 1 0 314.473 4.016 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC001172487206 1051411402 /nfs/dbraw/zinc/41/14/02/1051411402.db2.gz KZUXFPOYZOMVLP-OAHLLOKOSA-N 1 0 320.864 4.060 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CCc2c1cccc2OC(F)(F)F ZINC001172487503 1051414397 /nfs/dbraw/zinc/41/43/97/1051414397.db2.gz HWXQKYDUDLFTEP-FZMZJTMJSA-N 1 0 312.335 4.244 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC2(C[C@@H](c3ccccc3)CO2)CC1 ZINC001172495320 1051418042 /nfs/dbraw/zinc/41/80/42/1051418042.db2.gz PCFRXHNPXTUJIE-IEBWSBKVSA-N 1 0 312.457 4.107 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC001172495770 1051418096 /nfs/dbraw/zinc/41/80/96/1051418096.db2.gz HRSAQSAWVSKYNX-ZDUSSCGKSA-N 1 0 315.392 4.229 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(Cc2cccc(Cl)c2)CCOCC1 ZINC001172490890 1051418488 /nfs/dbraw/zinc/41/84/88/1051418488.db2.gz BRNZMOXQABKSKK-HNNXBMFYSA-N 1 0 320.864 4.104 20 30 DIEDRO CCC[N@H+]([C@H](C)CCCC#N)[C@H](C)C(=O)Nc1ccccc1C ZINC001172498087 1051418565 /nfs/dbraw/zinc/41/85/65/1051418565.db2.gz IPPWIJAXSGNVJY-IAGOWNOFSA-N 1 0 315.461 4.116 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC#Cc2ccc(F)cc2)C(C)C)cc1 ZINC001168786003 1051418787 /nfs/dbraw/zinc/41/87/87/1051418787.db2.gz VJJMIZKMCIYUPI-FQEVSTJZSA-N 1 0 311.400 4.173 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](CC1CCOCC1)c1ccccc1 ZINC001172492338 1051418840 /nfs/dbraw/zinc/41/88/40/1051418840.db2.gz MMYVKWZUBTXYGL-VQIMIIECSA-N 1 0 300.446 4.216 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2nc3ccccc3cc2C#N)CC1(C)C ZINC001170453004 1051419281 /nfs/dbraw/zinc/41/92/81/1051419281.db2.gz FKEZVHAMAJBRDR-UHFFFAOYSA-N 1 0 322.456 4.170 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001172501268 1051420100 /nfs/dbraw/zinc/42/01/00/1051420100.db2.gz PTXRZTQRUBVXHT-HIFRSBDPSA-N 1 0 321.262 4.321 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001172501283 1051420761 /nfs/dbraw/zinc/42/07/61/1051420761.db2.gz PTXRZTQRUBVXHT-ZFWWWQNUSA-N 1 0 321.262 4.321 20 30 DIEDRO C[C@@H](CCCC#N)n1c2ccc(Cl)cc2c2c1CC[NH2+]C2 ZINC001172503707 1051421924 /nfs/dbraw/zinc/42/19/24/1051421924.db2.gz BLLUGHONVBOZCN-LBPRGKRZSA-N 1 0 301.821 4.195 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172503622 1051422148 /nfs/dbraw/zinc/42/21/48/1051422148.db2.gz YWFJJLDDXLAYJD-INIZCTEOSA-N 1 0 323.477 4.465 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1cc2n(n1)CCCO2 ZINC001172504865 1051422483 /nfs/dbraw/zinc/42/24/83/1051422483.db2.gz HWMBIGJOKWGDEV-INIZCTEOSA-N 1 0 307.482 4.284 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001172503445 1051422748 /nfs/dbraw/zinc/42/27/48/1051422748.db2.gz XJBMMDFRBHPMBL-MRXNPFEDSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001172504932 1051422802 /nfs/dbraw/zinc/42/28/02/1051422802.db2.gz JAABQRASOLLGFM-ZWKOTPCHSA-N 1 0 321.509 4.153 20 30 DIEDRO C[C@@H](CCCC#N)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001172504936 1051422948 /nfs/dbraw/zinc/42/29/48/1051422948.db2.gz JDGVJLURRXLZQV-LBPRGKRZSA-N 1 0 300.324 4.099 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001172503508 1051423047 /nfs/dbraw/zinc/42/30/47/1051423047.db2.gz AZJCKSFDVQNIOX-CRAIPNDOSA-N 1 0 320.864 4.403 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172503667 1051423069 /nfs/dbraw/zinc/42/30/69/1051423069.db2.gz ZNGGJKMIGJQJEM-IAGOWNOFSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172503626 1051423155 /nfs/dbraw/zinc/42/31/55/1051423155.db2.gz YWFJJLDDXLAYJD-MRXNPFEDSA-N 1 0 323.477 4.465 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001172507106 1051424146 /nfs/dbraw/zinc/42/41/46/1051424146.db2.gz PEHMPSWKUQOWAG-CYBMUJFWSA-N 1 0 324.827 4.405 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001172505487 1051424501 /nfs/dbraw/zinc/42/45/01/1051424501.db2.gz NZCOEYGQTIFQKK-FUHWJXTLSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001172505665 1051424777 /nfs/dbraw/zinc/42/47/77/1051424777.db2.gz RLCQTWVHSWSOGW-XHSDSOJGSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001172505516 1051425055 /nfs/dbraw/zinc/42/50/55/1051425055.db2.gz OMTHMFNWQCGTMJ-KRWDZBQOSA-N 1 0 320.477 4.487 20 30 DIEDRO CCCCCCCC[C@@H](CC)n1cnc(C[NH3+])c1C(=O)OCC ZINC001172505316 1051425068 /nfs/dbraw/zinc/42/50/68/1051425068.db2.gz LJLAZRWXQOICAE-OAHLLOKOSA-N 1 0 323.481 4.220 20 30 DIEDRO C[C@H](CCCC#N)[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC001172508356 1051425385 /nfs/dbraw/zinc/42/53/85/1051425385.db2.gz CJRDRGOJICFZEA-NCOADZHNSA-N 1 0 320.477 4.044 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC(n2cnnc2)CC1 ZINC001172510734 1051426239 /nfs/dbraw/zinc/42/62/39/1051426239.db2.gz IIBURVYREVZBFK-QGZVFWFLSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001172512060 1051428289 /nfs/dbraw/zinc/42/82/89/1051428289.db2.gz YGQPTVDVEYXZBS-KRWDZBQOSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172512080 1051428360 /nfs/dbraw/zinc/42/83/60/1051428360.db2.gz YNSVRPJRRIMIGS-CEXWTWQISA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCN(CC(F)F)CC1 ZINC001172511582 1051428382 /nfs/dbraw/zinc/42/83/82/1051428382.db2.gz ULWHQZGUAHLHGY-INIZCTEOSA-N 1 0 304.469 4.398 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCN(CC(F)F)CC1 ZINC001172511683 1051428765 /nfs/dbraw/zinc/42/87/65/1051428765.db2.gz ULWHQZGUAHLHGY-MRXNPFEDSA-N 1 0 304.469 4.398 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000766492921 1051432403 /nfs/dbraw/zinc/43/24/03/1051432403.db2.gz ZEMSAKOLDWITDG-LJQANCHMSA-N 1 0 309.384 4.005 20 30 DIEDRO Cc1ccc(C(C)(C)Nc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001168803780 1051441453 /nfs/dbraw/zinc/44/14/53/1051441453.db2.gz LUWMOSMABZKBEF-HYARGMPZSA-N 1 0 320.440 4.435 20 30 DIEDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1cc(C#N)co1 ZINC001172572821 1051448805 /nfs/dbraw/zinc/44/88/05/1051448805.db2.gz LVIOPKCXLABJBI-JTQLQIEISA-N 1 0 324.758 4.194 20 30 DIEDRO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2cccc3ccccc32)CC1 ZINC001168873703 1051461117 /nfs/dbraw/zinc/46/11/17/1051461117.db2.gz RMOCYJDBXJTJSU-UTKZUKDTSA-N 1 0 321.468 4.067 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)cc1 ZINC000766529552 1051467814 /nfs/dbraw/zinc/46/78/14/1051467814.db2.gz PUMLECZYLPHTGW-UTKZUKDTSA-N 1 0 322.452 4.184 20 30 DIEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CC(C)(C)OC(C)(C)C1 ZINC001172659420 1051474330 /nfs/dbraw/zinc/47/43/30/1051474330.db2.gz VPIQKSJETZIQPA-LJQANCHMSA-N 1 0 311.469 4.345 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1cccc(C#N)c1 ZINC001172714306 1051497279 /nfs/dbraw/zinc/49/72/79/1051497279.db2.gz WQSXPAUIAYLRAQ-RTBURBONSA-N 1 0 310.828 4.420 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1)c1ccccc1 ZINC001172786956 1051506854 /nfs/dbraw/zinc/50/68/54/1051506854.db2.gz SOSDMYQCERZFNX-FGTMMUONSA-N 1 0 301.430 4.015 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)CC1(C)C ZINC001169091024 1051519699 /nfs/dbraw/zinc/51/96/99/1051519699.db2.gz LRQQKMSHOLCLFQ-GFCCVEGCSA-N 1 0 321.262 4.189 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@@H](C)Cc2ccc(F)cc2Cl)cc1C ZINC001172866552 1051525793 /nfs/dbraw/zinc/52/57/93/1051525793.db2.gz UUKRDFQGSPVGQN-ZDUSSCGKSA-N 1 0 318.823 4.432 20 30 DIEDRO CC1(C)C[C@H](Nc2ncc(C#N)c3ccccc32)C[C@](C)(C[NH3+])C1 ZINC001169138906 1051528716 /nfs/dbraw/zinc/52/87/16/1051528716.db2.gz WFVVWFJZMSEXJI-YWZLYKJASA-N 1 0 322.456 4.062 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001172839950 1051529111 /nfs/dbraw/zinc/52/91/11/1051529111.db2.gz BFQQCFSABPJWOV-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C=CCOCc1cccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169151212 1051536405 /nfs/dbraw/zinc/53/64/05/1051536405.db2.gz HAIUNHPUOMNGDS-ICSRJNTNSA-N 1 0 316.489 4.345 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(C#N)s1 ZINC001172850742 1051537066 /nfs/dbraw/zinc/53/70/66/1051537066.db2.gz AQDWDKVZOQETBE-JTQLQIEISA-N 1 0 308.809 4.133 20 30 DIEDRO CC1(C)C[C@H](Nc2cccc3[nH]cc(CC#N)c32)C[C@@](C)(C[NH3+])C1 ZINC001169151264 1051537656 /nfs/dbraw/zinc/53/76/56/1051537656.db2.gz HWYWZVCBSQKOQP-MGPUTAFESA-N 1 0 324.472 4.190 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCc1ccc(C#N)cc1 ZINC001172860376 1051546595 /nfs/dbraw/zinc/54/65/95/1051546595.db2.gz CMKBXBDKAADOMX-CYBMUJFWSA-N 1 0 316.807 4.114 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1C#N ZINC001172860485 1051547423 /nfs/dbraw/zinc/54/74/23/1051547423.db2.gz DOSVYLXTOXTDEY-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C=C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172907541 1051553622 /nfs/dbraw/zinc/55/36/22/1051553622.db2.gz SAESYBXDLYQWLB-UYAOXDASSA-N 1 0 322.408 4.359 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OCCC)cc2)CC1 ZINC000177917547 1051554354 /nfs/dbraw/zinc/55/43/54/1051554354.db2.gz OHPVQFUSHMRGBI-KRWDZBQOSA-N 1 0 316.489 4.167 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000177913415 1051554996 /nfs/dbraw/zinc/55/49/96/1051554996.db2.gz VWSIPABONONHRZ-LBPRGKRZSA-N 1 0 313.272 4.294 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001172875368 1051558858 /nfs/dbraw/zinc/55/88/58/1051558858.db2.gz NOJDUVMVJCZTKQ-KCQAQPDRSA-N 1 0 308.878 4.493 20 30 DIEDRO C#CCCC1(CC[NH2+][C@@H](C)CSc2ccc(Cl)cc2)N=N1 ZINC001172879428 1051561115 /nfs/dbraw/zinc/56/11/15/1051561115.db2.gz ZVIXSSDZEDPQBG-ZDUSSCGKSA-N 1 0 321.877 4.376 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCC(CC#N)CC1 ZINC001172880884 1051563033 /nfs/dbraw/zinc/56/30/33/1051563033.db2.gz ZJXLXVWFCLSAHK-ZDUSSCGKSA-N 1 0 308.878 4.446 20 30 DIEDRO Cc1ccc(Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C#N ZINC001216076300 1051565739 /nfs/dbraw/zinc/56/57/39/1051565739.db2.gz SNMZCGBFDNIQAN-UHFFFAOYSA-N 1 0 321.424 4.083 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCC(S)CC1 ZINC001172882490 1051565602 /nfs/dbraw/zinc/56/56/02/1051565602.db2.gz PVJKRQZUZJDPJL-NSHDSACASA-N 1 0 301.908 4.215 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001172883415 1051566396 /nfs/dbraw/zinc/56/63/96/1051566396.db2.gz UNJGUTBVPOUDAV-KBPBESRZSA-N 1 0 308.878 4.446 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3ccc(CC#N)cc3)cc2)CC1 ZINC001212690197 1051568024 /nfs/dbraw/zinc/56/80/24/1051568024.db2.gz WWWVKZPIAUBUAX-UHFFFAOYSA-N 1 0 305.425 4.305 20 30 DIEDRO COc1cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)ccc1C#N ZINC001212691398 1051578433 /nfs/dbraw/zinc/57/84/33/1051578433.db2.gz OHVZGBKGNYACTI-UHFFFAOYSA-N 1 0 321.424 4.120 20 30 DIEDRO C=CC[N@H+]([C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172911624 1051581234 /nfs/dbraw/zinc/58/12/34/1051581234.db2.gz DBLGTUCHDFTFHC-MRXNPFEDSA-N 1 0 302.418 4.129 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001169365226 1051589238 /nfs/dbraw/zinc/58/92/38/1051589238.db2.gz HHFZGAWJNJOYRJ-SFTDATJTSA-N 1 0 304.437 4.102 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000737803485 1051599049 /nfs/dbraw/zinc/59/90/49/1051599049.db2.gz CJBAIMWMABDVJS-QOLSVTOYSA-N 1 0 320.521 4.426 20 30 DIEDRO CCCCCCCC[N@H+](CCN)C1CCC(OCCC)CC1 ZINC001173093974 1051600099 /nfs/dbraw/zinc/60/00/99/1051600099.db2.gz FJHIYDNOWLZIRL-UHFFFAOYSA-N 1 0 312.542 4.345 20 30 DIEDRO C[C@](C#N)(Nc1ccc(C2([NH3+])CC2)cc1)c1ccccc1Cl ZINC001169389213 1051605708 /nfs/dbraw/zinc/60/57/08/1051605708.db2.gz OVPJBFGIHLPHKU-QGZVFWFLSA-N 1 0 311.816 4.139 20 30 DIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@H]1c1ccccc1 ZINC000613314803 1051621011 /nfs/dbraw/zinc/62/10/11/1051621011.db2.gz CIGGEECUYANMGC-PKOBYXMFSA-N 1 0 308.400 4.369 20 30 DIEDRO CC(C)C[C@]1(C)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001170478061 1051623930 /nfs/dbraw/zinc/62/39/30/1051623930.db2.gz AFMGZVOPEVFVPT-IBGZPJMESA-N 1 0 300.446 4.228 20 30 DIEDRO C=C(C)[C@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1 ZINC001169475033 1051627413 /nfs/dbraw/zinc/62/74/13/1051627413.db2.gz XIWZVZUPAKWHKL-MOPGFXCFSA-N 1 0 317.379 4.295 20 30 DIEDRO Cc1sc(Nc2cccc(C[NH+](C)C)c2F)c(C#N)c1C ZINC001216227417 1051634770 /nfs/dbraw/zinc/63/47/70/1051634770.db2.gz GGTSGWJSDFEFHZ-UHFFFAOYSA-N 1 0 303.406 4.181 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2c(C#N)oc3ccccc32)c1F ZINC001216228258 1051637414 /nfs/dbraw/zinc/63/74/14/1051637414.db2.gz XWFYKLRRGVRFLF-UHFFFAOYSA-N 1 0 309.344 4.249 20 30 DIEDRO CCc1ccc(C[C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CC2)cc1 ZINC001173244183 1051650881 /nfs/dbraw/zinc/65/08/81/1051650881.db2.gz NOUBJNWNGCBQGY-INIZCTEOSA-N 1 0 304.437 4.331 20 30 DIEDRO CCc1ccc(C[C@H](C)NC(=[NH2+])c2ccc3ccccc3n2)cc1 ZINC001173240889 1051672589 /nfs/dbraw/zinc/67/25/89/1051672589.db2.gz KGFKKBLUYGBYIK-HNNXBMFYSA-N 1 0 317.436 4.134 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000493962736 1051673423 /nfs/dbraw/zinc/67/34/23/1051673423.db2.gz WBNVXFBHWBGBNN-JXFKEZNVSA-N 1 0 311.425 4.117 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc(F)c1CC#N ZINC001169690509 1051673446 /nfs/dbraw/zinc/67/34/46/1051673446.db2.gz WOOLBZSWGYGSBS-QGZVFWFLSA-N 1 0 309.388 4.132 20 30 DIEDRO C#C[C@@](C)(CC)Nc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001169702137 1051680063 /nfs/dbraw/zinc/68/00/63/1051680063.db2.gz ZGWXFDBUMQTENE-FQEVSTJZSA-N 1 0 309.457 4.020 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001173309761 1051681817 /nfs/dbraw/zinc/68/18/17/1051681817.db2.gz KWJJZLUALWRYIN-SJORKVTESA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001173310099 1051682399 /nfs/dbraw/zinc/68/23/99/1051682399.db2.gz PRDRZXFVIIHQGK-QGZVFWFLSA-N 1 0 324.509 4.480 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2c(F)ccc(C)c2Cl)CC1 ZINC001173311166 1051683594 /nfs/dbraw/zinc/68/35/94/1051683594.db2.gz HCQBRCKMBLTGBN-UHFFFAOYSA-N 1 0 311.828 4.391 20 30 DIEDRO C=CCOC1CCC(n2c(C)c(CC[NH3+])c3ccccc32)CC1 ZINC001173312421 1051683993 /nfs/dbraw/zinc/68/39/93/1051683993.db2.gz ZNGOLKZTNNYMJF-UHFFFAOYSA-N 1 0 312.457 4.137 20 30 DIEDRO C=CCOC1CCC([NH2+]CCCOc2ccc(Cl)cc2)CC1 ZINC001173312416 1051684484 /nfs/dbraw/zinc/68/44/84/1051684484.db2.gz ZKALOMMGDSOEKM-UHFFFAOYSA-N 1 0 323.864 4.212 20 30 DIEDRO CCCCCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169728333 1051687993 /nfs/dbraw/zinc/68/79/93/1051687993.db2.gz KPZATNNJOGFPFE-LJQANCHMSA-N 1 0 316.489 4.241 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173285581 1051688259 /nfs/dbraw/zinc/68/82/59/1051688259.db2.gz XOAWTMJEMQKWOD-MSOLQXFVSA-N 1 0 323.525 4.397 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)n1cc(C[NH3+])cnc1=N ZINC001173284901 1051688783 /nfs/dbraw/zinc/68/87/83/1051688783.db2.gz KQOZQOMHLIMZCA-QGZVFWFLSA-N 1 0 306.498 4.303 20 30 DIEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000805839845 1051689308 /nfs/dbraw/zinc/68/93/08/1051689308.db2.gz UGIOFEJACBSQEK-RDJZCZTQSA-N 1 0 300.446 4.236 20 30 DIEDRO C=CCOC1CCC([N@@H+](C)[C@@H](C)c2ccccc2OC)CC1 ZINC001173323573 1051692228 /nfs/dbraw/zinc/69/22/28/1051692228.db2.gz DQRWCXFTGJHATQ-GTPINHCMSA-N 1 0 303.446 4.202 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC001173325805 1051692497 /nfs/dbraw/zinc/69/24/97/1051692497.db2.gz OGWIZWWKVIQUSN-UHFFFAOYSA-N 1 0 311.454 4.372 20 30 DIEDRO Cc1cc(C)cc(OC[C@@H](C)[NH2+]C2CCC(CC#N)CC2)c1 ZINC001173324328 1051692740 /nfs/dbraw/zinc/69/27/40/1051692740.db2.gz MHKJXLDCRFSTJX-WWDZGPRUSA-N 1 0 300.446 4.133 20 30 DIEDRO C=CCOC1CCC([N@@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001173322899 1051693106 /nfs/dbraw/zinc/69/31/06/1051693106.db2.gz PFEDPEJFVASFGX-IPJUCJBFSA-N 1 0 317.473 4.072 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC001173325065 1051693238 /nfs/dbraw/zinc/69/32/38/1051693238.db2.gz ZXTVFQFBYFDUTC-UHFFFAOYSA-N 1 0 312.335 4.147 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001173328632 1051694362 /nfs/dbraw/zinc/69/43/62/1051694362.db2.gz ICEASIYDQSNYFH-UHFFFAOYSA-N 1 0 305.425 4.311 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001173326712 1051694539 /nfs/dbraw/zinc/69/45/39/1051694539.db2.gz NYWXVHJTQXRHRY-IVMQYODDSA-N 1 0 303.421 4.129 20 30 DIEDRO C=CCOC1CCC([N@@H+](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001173326528 1051694881 /nfs/dbraw/zinc/69/48/81/1051694881.db2.gz JJTLHBRWMRUSIA-DMKPSLHHSA-N 1 0 303.446 4.202 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC001173330710 1051695013 /nfs/dbraw/zinc/69/50/13/1051695013.db2.gz UXMCFYDUSPKNTC-UHFFFAOYSA-N 1 0 311.454 4.372 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC001173327703 1051695191 /nfs/dbraw/zinc/69/51/91/1051695191.db2.gz GPJNBXSDWIDVBH-UHFFFAOYSA-N 1 0 307.235 4.011 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC001173335426 1051696572 /nfs/dbraw/zinc/69/65/72/1051696572.db2.gz LSYHSLIPUZYBLN-UHFFFAOYSA-N 1 0 312.457 4.140 20 30 DIEDRO COc1cccc(CC2(C[NH2+]C3CCC(CC#N)CC3)CC2)c1 ZINC001173334054 1051697277 /nfs/dbraw/zinc/69/72/77/1051697277.db2.gz SXICBBBAPFUKSV-UHFFFAOYSA-N 1 0 312.457 4.080 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(Oc3ccccn3)cc2)CC1 ZINC001173332022 1051697649 /nfs/dbraw/zinc/69/76/49/1051697649.db2.gz GPCLMIQZGWRAQU-UHFFFAOYSA-N 1 0 321.424 4.436 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001173332314 1051697660 /nfs/dbraw/zinc/69/76/60/1051697660.db2.gz KWNXNHNPVNEWIH-LDZOIKDWSA-N 1 0 304.821 4.226 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(n3ncc4ccccc43)CC2)CC1 ZINC001173337547 1051699434 /nfs/dbraw/zinc/69/94/34/1051699434.db2.gz OGYBJUCCQYVMMM-UHFFFAOYSA-N 1 0 322.456 4.146 20 30 DIEDRO O=C1C=C2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)CCC2S1 ZINC001173346802 1051705980 /nfs/dbraw/zinc/70/59/80/1051705980.db2.gz RNYKUJDPHBSNKW-HZPDHXFCSA-N 1 0 305.487 4.154 20 30 DIEDRO O=C1C=C2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)CCC2S1 ZINC001173346800 1051706934 /nfs/dbraw/zinc/70/69/34/1051706934.db2.gz RNYKUJDPHBSNKW-CVEARBPZSA-N 1 0 305.487 4.154 20 30 DIEDRO C=CCOC1CCC(n2cc(C[NH3+])c3cc(Cl)ccc32)CC1 ZINC001173314874 1051708637 /nfs/dbraw/zinc/70/86/37/1051708637.db2.gz WMGMXIWJGXTSNW-UHFFFAOYSA-N 1 0 318.848 4.440 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC001173314707 1051709371 /nfs/dbraw/zinc/70/93/71/1051709371.db2.gz UJXSBTJUUCKRDS-OPQOLIRYSA-N 1 0 305.849 4.299 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001173314405 1051709649 /nfs/dbraw/zinc/70/96/49/1051709649.db2.gz PZZWOTJVDBOKFY-HTWSVDAQSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](C)c2ccccc2OCC)CC1 ZINC001173317169 1051710794 /nfs/dbraw/zinc/71/07/94/1051710794.db2.gz CLMQLCQBPLLYNJ-GTPINHCMSA-N 1 0 303.446 4.250 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)Cc2cccc(OC)c2)CC1 ZINC001173317357 1051710877 /nfs/dbraw/zinc/71/08/77/1051710877.db2.gz GIXMEQDHXXYMSE-UHFFFAOYSA-N 1 0 317.473 4.120 20 30 DIEDRO C=CCOC1CCC([NH2+]CC(C)(C)Cc2cccc(F)c2)CC1 ZINC001173317830 1051710906 /nfs/dbraw/zinc/71/09/06/1051710906.db2.gz OKTRYKHKYSLLGS-UHFFFAOYSA-N 1 0 319.464 4.498 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C1CCC(OCC=C)CC1 ZINC001173318026 1051711827 /nfs/dbraw/zinc/71/18/27/1051711827.db2.gz NRZUAYTWYSKSRT-AOCRQIFASA-N 1 0 315.457 4.416 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2cc(C(=O)OC)ccc2F)CCCC1(C)C ZINC001169844140 1051712136 /nfs/dbraw/zinc/71/21/36/1051712136.db2.gz KUXRAGRIDLZWOE-KRWDZBQOSA-N 1 0 319.420 4.179 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC001173319068 1051712265 /nfs/dbraw/zinc/71/22/65/1051712265.db2.gz WURCQSLONKOJGM-TVPLGVNVSA-N 1 0 303.421 4.307 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC001173319293 1051712599 /nfs/dbraw/zinc/71/25/99/1051712599.db2.gz DDIIRPNZPKQCMZ-LBXVMSDZSA-N 1 0 315.457 4.176 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001173319748 1051713313 /nfs/dbraw/zinc/71/33/13/1051713313.db2.gz ULSXOAZVVSQQGG-ZGUYJTEBSA-N 1 0 305.849 4.299 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001173319901 1051713525 /nfs/dbraw/zinc/71/35/25/1051713525.db2.gz AHXDGHGHQATFNK-ACBHZAAOSA-N 1 0 300.446 4.122 20 30 DIEDRO CC[C@@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)c1cccc(C#N)c1 ZINC001173476820 1051722721 /nfs/dbraw/zinc/72/27/21/1051722721.db2.gz VOONFJRSWQTNMO-LJQANCHMSA-N 1 0 312.363 4.045 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173445042 1051727361 /nfs/dbraw/zinc/72/73/61/1051727361.db2.gz OKNSDRFPPPNFHW-CVEARBPZSA-N 1 0 319.445 4.024 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H](C)CCCCC(=O)OC ZINC001173455613 1051728919 /nfs/dbraw/zinc/72/89/19/1051728919.db2.gz RGOYIJGKTBPQSO-KRWDZBQOSA-N 1 0 303.446 4.187 20 30 DIEDRO CC(C)C1=[NH+]CCc2ccc(NC3=CC(=O)CC(C)(C)C3)cc21 ZINC001169952600 1051737406 /nfs/dbraw/zinc/73/74/06/1051737406.db2.gz AAJVVHGDJMWOJD-UHFFFAOYSA-N 1 0 310.441 4.373 20 30 DIEDRO C#CCCC[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000766895155 1051739325 /nfs/dbraw/zinc/73/93/25/1051739325.db2.gz JOHZRAOEADNCHL-OAHLLOKOSA-N 1 0 322.246 4.008 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000185073195 1051754879 /nfs/dbraw/zinc/75/48/79/1051754879.db2.gz VMOPPWRPESESHE-INIZCTEOSA-N 1 0 300.446 4.213 20 30 DIEDRO COc1ccccc1CC(C)(C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173590724 1051755129 /nfs/dbraw/zinc/75/51/29/1051755129.db2.gz AGZUVISEVZZBQU-UHFFFAOYSA-N 1 0 300.446 4.078 20 30 DIEDRO CC1(C#N)CCC([NH2+]C2(Cc3cccc(F)c3)CCC2)CC1 ZINC001173590571 1051755144 /nfs/dbraw/zinc/75/51/44/1051755144.db2.gz CJJZQVONQYWSDD-UHFFFAOYSA-N 1 0 300.421 4.353 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001173592751 1051755239 /nfs/dbraw/zinc/75/52/39/1051755239.db2.gz AYBUCTZICIJERO-GNHJJJEISA-N 1 0 303.837 4.248 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001173591175 1051755598 /nfs/dbraw/zinc/75/55/98/1051755598.db2.gz VFUHPDPXMWBSCK-LXPRWKDFSA-N 1 0 302.849 4.259 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001173592581 1051755964 /nfs/dbraw/zinc/75/59/64/1051755964.db2.gz UOXXAWKLPGKUMF-UHFFFAOYSA-N 1 0 319.246 4.237 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC001173596005 1051756679 /nfs/dbraw/zinc/75/66/79/1051756679.db2.gz GCOKHBZXQFTGMO-UHFFFAOYSA-N 1 0 312.457 4.250 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001173597565 1051757391 /nfs/dbraw/zinc/75/73/91/1051757391.db2.gz YKIUUBJAHGEOKF-UHFFFAOYSA-N 1 0 322.452 4.079 20 30 DIEDRO Cc1ccc(OC2CC[NH+](C3CCC(C)(C#N)CC3)CC2)cc1 ZINC001173596361 1051757608 /nfs/dbraw/zinc/75/76/08/1051757608.db2.gz UBPQUFLPSUNQOM-UHFFFAOYSA-N 1 0 312.457 4.311 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC001173596312 1051758191 /nfs/dbraw/zinc/75/81/91/1051758191.db2.gz RKRZWRSMYUQGLB-UHFFFAOYSA-N 1 0 312.457 4.140 20 30 DIEDRO CC1(C#N)CCC(n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)CC1 ZINC001173596925 1051758341 /nfs/dbraw/zinc/75/83/41/1051758341.db2.gz BJXYHUQVEOUQJI-RYZJOYRSSA-N 1 0 322.456 4.496 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000806168143 1051767262 /nfs/dbraw/zinc/76/72/62/1051767262.db2.gz VJRSYIVQVDOELN-MRXNPFEDSA-N 1 0 315.461 4.003 20 30 DIEDRO C=CCCCCCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000806167592 1051769314 /nfs/dbraw/zinc/76/93/14/1051769314.db2.gz AVVOENGXOCDTSQ-QUCCMNQESA-N 1 0 315.505 4.018 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000806177246 1051771980 /nfs/dbraw/zinc/77/19/80/1051771980.db2.gz WVGJPZJGKZWVCA-GOSISDBHSA-N 1 0 300.446 4.074 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC3(CCc4ccccc43)CC2)cc1 ZINC001173684968 1051779221 /nfs/dbraw/zinc/77/92/21/1051779221.db2.gz XVOGFRWCPUUUIE-UHFFFAOYSA-N 1 0 316.448 4.475 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCOC(F)(F)F)cc1 ZINC000788982129 1051782600 /nfs/dbraw/zinc/78/26/00/1051782600.db2.gz VOHAAIFOKJOGRD-NSHDSACASA-N 1 0 323.742 4.005 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000185769911 1051783546 /nfs/dbraw/zinc/78/35/46/1051783546.db2.gz HFBUSNPBUFKEKO-SGMGOOAPSA-N 1 0 312.335 4.318 20 30 DIEDRO C#CC(C)(C)[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173700298 1051783994 /nfs/dbraw/zinc/78/39/94/1051783994.db2.gz HFAYQINMOIDJLH-FQEVSTJZSA-N 1 0 319.448 4.124 20 30 DIEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCCC#N ZINC000185929716 1051790215 /nfs/dbraw/zinc/79/02/15/1051790215.db2.gz LXQYWOCIFRVJFI-CQSZACIVSA-N 1 0 309.251 4.006 20 30 DIEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCCCC#N ZINC000185926227 1051790921 /nfs/dbraw/zinc/79/09/21/1051790921.db2.gz WRQYIAIQUUTHOX-OAHLLOKOSA-N 1 0 323.278 4.396 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000767371740 1051798160 /nfs/dbraw/zinc/79/81/60/1051798160.db2.gz ZUFOIVPRVOHBMZ-QKNQBKEWSA-N 1 0 320.436 4.261 20 30 DIEDRO C=CCCC[NH2+]C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173785269 1051801391 /nfs/dbraw/zinc/80/13/91/1051801391.db2.gz GNYXUULJZUATRL-UHFFFAOYSA-N 1 0 301.430 4.194 20 30 DIEDRO C#CCCCC[NH2+]C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173786703 1051802496 /nfs/dbraw/zinc/80/24/96/1051802496.db2.gz PFBAWRBVXQKVJT-UHFFFAOYSA-N 1 0 313.441 4.031 20 30 DIEDRO N#Cc1oc2ccccc2c1Nc1c[nH+]cn1Cc1ccccc1 ZINC001216549438 1051813812 /nfs/dbraw/zinc/81/38/12/1051813812.db2.gz HLCIGNRQUDXOFT-UHFFFAOYSA-N 1 0 314.348 4.293 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000767957962 1051870146 /nfs/dbraw/zinc/87/01/46/1051870146.db2.gz MOTXJHDRVSGFGC-QGZVFWFLSA-N 1 0 315.457 4.044 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494288748 1051872073 /nfs/dbraw/zinc/87/20/73/1051872073.db2.gz VLTSKMDPXABZCL-LFIBNONCSA-N 1 0 306.409 4.102 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(OC)c1)c1ccncc1 ZINC000768103516 1051883268 /nfs/dbraw/zinc/88/32/68/1051883268.db2.gz GBECUHCDGBEWHR-GUYCJALGSA-N 1 0 300.377 4.197 20 30 DIEDRO CCCC[C@@H](C)[N@H+](CCCC)C[C@@H](O)c1ccc(C#N)cc1 ZINC001170520621 1051886173 /nfs/dbraw/zinc/88/61/73/1051886173.db2.gz YGBRTDWPGBYLHS-VQIMIIECSA-N 1 0 302.462 4.272 20 30 DIEDRO CCCC[C@@H](C)[N@H+](CCCC)C[C@H](O)c1ccc(C#N)cc1 ZINC001170520618 1051887035 /nfs/dbraw/zinc/88/70/35/1051887035.db2.gz YGBRTDWPGBYLHS-APWZRJJASA-N 1 0 302.462 4.272 20 30 DIEDRO C=CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000807591105 1051914524 /nfs/dbraw/zinc/91/45/24/1051914524.db2.gz AHKIERCHLQSBRE-ROUUACIJSA-N 1 0 323.525 4.027 20 30 DIEDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768335278 1051918869 /nfs/dbraw/zinc/91/88/69/1051918869.db2.gz LDYKUTGQFKNTLT-KRWDZBQOSA-N 1 0 308.425 4.308 20 30 DIEDRO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cnc1Cl ZINC000768335631 1051920004 /nfs/dbraw/zinc/92/00/04/1051920004.db2.gz YPWWRULFIBZEJL-UHFFFAOYSA-N 1 0 313.832 4.326 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@H+](C2CC2)C2CCCCC2)cc1 ZINC000768339215 1051922292 /nfs/dbraw/zinc/92/22/92/1051922292.db2.gz SAZVWEQYMIAGSM-UHFFFAOYSA-N 1 0 311.473 4.334 20 30 DIEDRO CCCCCCCCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439026 1051932753 /nfs/dbraw/zinc/93/27/53/1051932753.db2.gz DLFTWURZRNRFMF-GOSISDBHSA-N 1 0 321.461 4.000 20 30 DIEDRO CC[N@H+](Cc1cnc(Cl)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000768513577 1051935906 /nfs/dbraw/zinc/93/59/06/1051935906.db2.gz BCTJIHIWVCUQCH-CQSZACIVSA-N 1 0 313.832 4.498 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)CCCCc2ccccc2)cc1 ZINC000768871975 1051975373 /nfs/dbraw/zinc/97/53/73/1051975373.db2.gz PBFWUZXTTDIQTE-GOSISDBHSA-N 1 0 322.452 4.432 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1OC ZINC000324326791 1051992680 /nfs/dbraw/zinc/99/26/80/1051992680.db2.gz VTUOQZASPIJFON-HNAYVOBHSA-N 1 0 324.424 4.399 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cncc2ccccc21 ZINC000769104662 1052001322 /nfs/dbraw/zinc/00/13/22/1052001322.db2.gz IYQQFLYYXTZGSR-UHFFFAOYSA-N 1 0 313.404 4.295 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)cc1 ZINC000769165958 1052004875 /nfs/dbraw/zinc/00/48/75/1052004875.db2.gz XIVMGFWKCHYKAH-RDJZCZTQSA-N 1 0 300.446 4.378 20 30 DIEDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(C#N)ccc(Cl)c2Cl)CC1 ZINC001234427443 1052012108 /nfs/dbraw/zinc/01/21/08/1052012108.db2.gz AEEOXZBYPBESCI-HAQNSBGRSA-N 1 0 313.228 4.117 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000808418743 1052020013 /nfs/dbraw/zinc/02/00/13/1052020013.db2.gz CZGIKWIREJLEGV-UHFFFAOYSA-N 1 0 301.459 4.431 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000769319186 1052023840 /nfs/dbraw/zinc/02/38/40/1052023840.db2.gz UROGFHQTSLQAKW-SFHVURJKSA-N 1 0 321.468 4.272 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000769319185 1052024105 /nfs/dbraw/zinc/02/41/05/1052024105.db2.gz UROGFHQTSLQAKW-GOSISDBHSA-N 1 0 321.468 4.272 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000769333131 1052025485 /nfs/dbraw/zinc/02/54/85/1052025485.db2.gz PTRQMTGELHIBNQ-UHFFFAOYSA-N 1 0 311.473 4.193 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3cccc(F)c3)CC2)s1 ZINC000769390583 1052039050 /nfs/dbraw/zinc/03/90/50/1052039050.db2.gz ZFUXCSGXAASMDN-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000769426899 1052044902 /nfs/dbraw/zinc/04/49/02/1052044902.db2.gz KDQDGHPEPKVAIT-AEFFLSMTSA-N 1 0 300.446 4.236 20 30 DIEDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769484491 1052051565 /nfs/dbraw/zinc/05/15/65/1052051565.db2.gz KDHNBVBKCITBBJ-SJLPKXTDSA-N 1 0 300.446 4.378 20 30 DIEDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769484489 1052052494 /nfs/dbraw/zinc/05/24/94/1052052494.db2.gz KDHNBVBKCITBBJ-AEFFLSMTSA-N 1 0 300.446 4.378 20 30 DIEDRO CC(C)C[C@@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769505716 1052067800 /nfs/dbraw/zinc/06/78/00/1052067800.db2.gz LVEFVJWQDZLQEH-WMZOPIPTSA-N 1 0 300.446 4.236 20 30 DIEDRO N#Cc1cc(Cl)c(Cl)cc1Nc1ccc2[nH+]ccn2c1 ZINC001174280847 1052069951 /nfs/dbraw/zinc/06/99/51/1052069951.db2.gz YHLWFKXRWXTXNU-UHFFFAOYSA-N 1 0 303.152 4.256 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)[C@@H](O)c1ccccc1 ZINC000808721996 1052079713 /nfs/dbraw/zinc/07/97/13/1052079713.db2.gz XDKIMXZEMVWPML-ONGXBYRLSA-N 1 0 320.436 4.037 20 30 DIEDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000769550052 1052080081 /nfs/dbraw/zinc/08/00/81/1052080081.db2.gz YPLMBZTWHLEXPW-LEWJYISDSA-N 1 0 319.452 4.024 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1ccn(-c2ccccc2)n1 ZINC000769708041 1052095503 /nfs/dbraw/zinc/09/55/03/1052095503.db2.gz GVMUFUXDIBLTEU-UHFFFAOYSA-N 1 0 310.445 4.024 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c(C)n1-c1cccc(C)c1 ZINC000769946503 1052128691 /nfs/dbraw/zinc/12/86/91/1052128691.db2.gz YRJOEIUZFDKZFS-MJGOQNOKSA-N 1 0 307.441 4.184 20 30 DIEDRO C[C@H]1CC[NH2+]CC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217786951 1052140919 /nfs/dbraw/zinc/14/09/19/1052140919.db2.gz ICFPRBKMCWYGLI-UVZMZRMNSA-N 1 0 308.425 4.170 20 30 DIEDRO C[C@@H](OCc1ccc(-c2ccccc2C#N)cc1)C1CC[NH2+]CC1 ZINC001217779872 1052141268 /nfs/dbraw/zinc/14/12/68/1052141268.db2.gz YJSIMBAMGKTJQK-MRXNPFEDSA-N 1 0 320.436 4.130 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1O[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001217831635 1052151543 /nfs/dbraw/zinc/15/15/43/1052151543.db2.gz IOKNFJNPUOLGJN-RBUKOAKNSA-N 1 0 313.828 4.364 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](OCc1cccc(C[NH3+])c1)c1ccccc1 ZINC001217835420 1052151556 /nfs/dbraw/zinc/15/15/56/1052151556.db2.gz XYDNOSXANMKAJE-HXUWFJFHSA-N 1 0 323.512 4.284 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](OCCCCCC[NH3+])c1ccccc1 ZINC001217835068 1052152062 /nfs/dbraw/zinc/15/20/62/1052152062.db2.gz WNWHRLZLDDWBIQ-GOSISDBHSA-N 1 0 303.522 4.144 20 30 DIEDRO CCCCCCC[C@H](C)OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217842031 1052154873 /nfs/dbraw/zinc/15/48/73/1052154873.db2.gz XLHRTHUMIKXKBV-ROUUACIJSA-N 1 0 311.510 4.301 20 30 DIEDRO CC1(C)C[NH2+]CC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217878871 1052161672 /nfs/dbraw/zinc/16/16/72/1052161672.db2.gz MOCNNXZRJYOZSW-QTTZHIOCSA-N 1 0 308.425 4.170 20 30 DIEDRO C=C[C@H](CCCCCCC)OC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217883855 1052162622 /nfs/dbraw/zinc/16/26/22/1052162622.db2.gz IXXIRQWWWOBUHJ-QZTJIDSGSA-N 1 0 309.494 4.077 20 30 DIEDRO C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](OC[C@@H]([NH3+])C(C)C)[C@@H]12 ZINC001217884767 1052162693 /nfs/dbraw/zinc/16/26/93/1052162693.db2.gz SBVYQASFHDOVGN-YMTVXDNUSA-N 1 0 315.457 4.014 20 30 DIEDRO C=C[C@@H](CCCCCCC)OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217885186 1052162827 /nfs/dbraw/zinc/16/28/27/1052162827.db2.gz ZVABRXVOWGXWEX-OALUTQOASA-N 1 0 323.521 4.467 20 30 DIEDRO C=CCC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000494903690 1052163759 /nfs/dbraw/zinc/16/37/59/1052163759.db2.gz OHPYAILOPYPLSY-HXUWFJFHSA-N 1 0 322.452 4.437 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)OCCCCC1CC[NH2+]CC1 ZINC001217888743 1052164878 /nfs/dbraw/zinc/16/48/78/1052164878.db2.gz CZNIBHNRRCLKNG-KRWDZBQOSA-N 1 0 317.473 4.499 20 30 DIEDRO CCCCCCCCC[C@H](C)OC[C@@H]1C[C@@H]2C[NH2+]CC[C@@H]2O1 ZINC001217895957 1052165519 /nfs/dbraw/zinc/16/55/19/1052165519.db2.gz NNWGPIUOSDQNBP-RDGPPVDQSA-N 1 0 311.510 4.299 20 30 DIEDRO CCCCCCC[C@@H](CCC)OC[C@@H]1C[C@@H]2C[NH2+]CC[C@@H]2O1 ZINC001217897947 1052167198 /nfs/dbraw/zinc/16/71/98/1052167198.db2.gz SXKCANIIWUYFRE-YRXWBPOGSA-N 1 0 311.510 4.299 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](OCCCCC2CC[NH2+]CC2)C(C)(C)O1 ZINC001217897349 1052167799 /nfs/dbraw/zinc/16/77/99/1052167799.db2.gz XAOJGWZMTUINEU-IEBWSBKVSA-N 1 0 309.494 4.075 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCCCCCc1ccc(OC)cc1 ZINC001217932626 1052173704 /nfs/dbraw/zinc/17/37/04/1052173704.db2.gz BCFCVZJLPXWNQA-WOJBJXKFSA-N 1 0 317.473 4.121 20 30 DIEDRO O=C(/C=C/c1ccccc1)c1ccccc1O[C@H]1CCCC[NH2+]C1 ZINC001217972635 1052180049 /nfs/dbraw/zinc/18/00/49/1052180049.db2.gz USVOPICTUOGCIN-JKGDOXCYSA-N 1 0 321.420 4.104 20 30 DIEDRO O=C(/C=C/c1ccccc1)c1ccccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217972636 1052180290 /nfs/dbraw/zinc/18/02/90/1052180290.db2.gz USVOPICTUOGCIN-KAUXGEHWSA-N 1 0 321.420 4.104 20 30 DIEDRO O=C(/C=C/c1ccccc1)c1ccccc1O[C@H]1CCC[NH2+]CC1 ZINC001217994192 1052182899 /nfs/dbraw/zinc/18/28/99/1052182899.db2.gz FJFFOQPUPWCGOU-HHNLSAEISA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001218026046 1052187012 /nfs/dbraw/zinc/18/70/12/1052187012.db2.gz WZLLWIWNKMEVIU-QFBILLFUSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@H]1C[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)CC[NH2+]1 ZINC001218052762 1052189358 /nfs/dbraw/zinc/18/93/58/1052189358.db2.gz CSGLCIXHXRSTLK-RCDKPBPISA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]1C[C@@H](Oc2ccccc2C=Nc2ccc(F)cc2)CC[NH2+]1 ZINC001218059692 1052190619 /nfs/dbraw/zinc/19/06/19/1052190619.db2.gz KNOSVUJHLQDIIZ-KDOFPFPSSA-N 1 0 312.388 4.096 20 30 DIEDRO C[C@H]1C[C@@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)CC[NH2+]1 ZINC001218060227 1052191320 /nfs/dbraw/zinc/19/13/20/1052191320.db2.gz MIIHUOQVAYVGOR-SLLKKCNZSA-N 1 0 312.388 4.096 20 30 DIEDRO C[C@@H]1C[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)CC[NH2+]1 ZINC001218062772 1052192285 /nfs/dbraw/zinc/19/22/85/1052192285.db2.gz WHNYSMVKVQFZPA-PSVXCSPCSA-N 1 0 321.420 4.102 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218079381 1052193553 /nfs/dbraw/zinc/19/35/53/1052193553.db2.gz DMNWFYXNARYOBJ-HXUWFJFHSA-N 1 0 320.436 4.348 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218094234 1052196431 /nfs/dbraw/zinc/19/64/31/1052196431.db2.gz MBYVKXFSYJSFHL-NHCUHLMSSA-N 1 0 320.436 4.348 20 30 DIEDRO CC(C)(C)c1cc(CC#N)cc(C(C)(C)C)c1O[C@H]1CC[NH2+]C1 ZINC001218184214 1052203114 /nfs/dbraw/zinc/20/31/14/1052203114.db2.gz ZTKJMHSYJNNJMF-HNNXBMFYSA-N 1 0 314.473 4.088 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC001218185803 1052204843 /nfs/dbraw/zinc/20/48/43/1052204843.db2.gz IAGSNZICKSGGJO-AKYMJOCBSA-N 1 0 324.399 4.238 20 30 DIEDRO C[C@H](Oc1c(C(C)(C)C)cc(C#N)cc1C(C)(C)C)C1C[NH2+]C1 ZINC001218196459 1052206160 /nfs/dbraw/zinc/20/61/60/1052206160.db2.gz VEEQQXLUKCRWLO-ZDUSSCGKSA-N 1 0 314.473 4.140 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccccc1NN=C1C=CC=CC1=O ZINC001218208071 1052206781 /nfs/dbraw/zinc/20/67/81/1052206781.db2.gz WDFOSRWJFKLMQO-MKSIGINJSA-N 1 0 309.369 4.105 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@@H](C)C2C[NH2+]C2)cc1 ZINC001218197166 1052207595 /nfs/dbraw/zinc/20/75/95/1052207595.db2.gz ZQYLJHWTCSCWEM-HNNXBMFYSA-N 1 0 303.446 4.217 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(-c2nc3ccccc3s2)cc1 ZINC001218205618 1052207755 /nfs/dbraw/zinc/20/77/55/1052207755.db2.gz GEFPRVCQZDWVHJ-QGZVFWFLSA-N 1 0 322.433 4.260 20 30 DIEDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001218317960 1052224781 /nfs/dbraw/zinc/22/47/81/1052224781.db2.gz WEODKULNUBAOLZ-KWJZBXMYSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@H]1CC[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)C[NH2+]1 ZINC001218396316 1052232799 /nfs/dbraw/zinc/23/27/99/1052232799.db2.gz AKBYSHPLEXSVJF-DTXSUPOZSA-N 1 0 321.420 4.102 20 30 DIEDRO C=CC[C@H](Oc1ccc2c(n1)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC001218443094 1052239616 /nfs/dbraw/zinc/23/96/16/1052239616.db2.gz OHCLTMVDFULRLY-KRWDZBQOSA-N 1 0 314.816 4.077 20 30 DIEDRO [NH3+]Cc1ccc(O[C@H](C#Cc2ccccc2)c2ccccc2)cc1 ZINC001218440195 1052240109 /nfs/dbraw/zinc/24/01/09/1052240109.db2.gz ZEPYNXOQOIBEJM-JOCHJYFZSA-N 1 0 313.400 4.317 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccccc1Cc1ccccc1O ZINC001218456932 1052241665 /nfs/dbraw/zinc/24/16/65/1052241665.db2.gz ZTUZSNANLZGZEF-WIYYLYMNSA-N 1 0 323.436 4.059 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccccc1Cc1ccc(O)cc1 ZINC001218455661 1052241743 /nfs/dbraw/zinc/24/17/43/1052241743.db2.gz MTZDKLOUDQBKCC-TZIWHRDSSA-N 1 0 323.436 4.059 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(Cl)c(F)cc(F)c1Cl ZINC001218451640 1052241883 /nfs/dbraw/zinc/24/18/83/1052241883.db2.gz IIXSJVWGTKBNKK-GHMZBOCLSA-N 1 0 322.182 4.347 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(O)cc1-c1ccccc1 ZINC001218455303 1052242035 /nfs/dbraw/zinc/24/20/35/1052242035.db2.gz IEZJGNWLMLMRFY-UYAOXDASSA-N 1 0 309.409 4.135 20 30 DIEDRO CC1(C)C[C@@H](Oc2ccccc2C=NNc2ccccc2)CC[NH2+]1 ZINC001218477750 1052245158 /nfs/dbraw/zinc/24/51/58/1052245158.db2.gz FQHGYCHPAWCWTP-SFHVURJKSA-N 1 0 323.440 4.042 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1ncccc1-c1ccccc1 ZINC001218583667 1052252410 /nfs/dbraw/zinc/25/24/10/1052252410.db2.gz XTVZOZKGMPXTHJ-SFHVURJKSA-N 1 0 323.440 4.151 20 30 DIEDRO CC[N@H+](Cc1ccc(F)cc1C#N)[C@H](C)Cc1ccsc1 ZINC000495191623 1052252885 /nfs/dbraw/zinc/25/28/85/1052252885.db2.gz HJCKRYYIMUZXKA-CYBMUJFWSA-N 1 0 302.418 4.212 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219027929 1052269386 /nfs/dbraw/zinc/26/93/86/1052269386.db2.gz IONCGQSNKRURHN-HNNXBMFYSA-N 1 0 318.461 4.104 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818309 1052305177 /nfs/dbraw/zinc/30/51/77/1052305177.db2.gz BSNYSVLGMDGQRE-UHOSZYNNSA-N 1 0 316.489 4.202 20 30 DIEDRO C=CCCCCCCCCC(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219823239 1052305226 /nfs/dbraw/zinc/30/52/26/1052305226.db2.gz NWACTOSNUPUKGA-INIZCTEOSA-N 1 0 320.502 4.315 20 30 DIEDRO C=CCCCCCCCCC(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219823240 1052305657 /nfs/dbraw/zinc/30/56/57/1052305657.db2.gz NWACTOSNUPUKGA-MRXNPFEDSA-N 1 0 320.502 4.315 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc(Cl)cc1C#N ZINC000303151672 1052316027 /nfs/dbraw/zinc/31/60/27/1052316027.db2.gz CRVMBNDKMZATQV-CQSZACIVSA-N 1 0 305.853 4.278 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2ccc(C#N)cc2)c(O)c1 ZINC000915113163 1052351277 /nfs/dbraw/zinc/35/12/77/1052351277.db2.gz PLRSQNARSQSJAT-HSMAQGNYSA-N 1 0 321.424 4.290 20 30 DIEDRO C=CCCCCCCCCC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220678589 1052354218 /nfs/dbraw/zinc/35/42/18/1052354218.db2.gz FOKLRYCPOUHMKZ-PIIMJCKOSA-N 1 0 306.494 4.083 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000153503942 1052363670 /nfs/dbraw/zinc/36/36/70/1052363670.db2.gz NIVJBNSSYYOLOG-FOIQADDNSA-N 1 0 324.399 4.454 20 30 DIEDRO CC1(C)CC([NH2+]Cc2cccc(OCC#N)c2)CC(C)(C)C1 ZINC000317259364 1052383551 /nfs/dbraw/zinc/38/35/51/1052383551.db2.gz LULFZZFZLARNCY-UHFFFAOYSA-N 1 0 300.446 4.283 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)ccc1C#N ZINC001203452306 1052412180 /nfs/dbraw/zinc/41/21/80/1052412180.db2.gz JHLOSWVFWUYWAS-NRFANRHFSA-N 1 0 319.452 4.153 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000762770368 1052421999 /nfs/dbraw/zinc/42/19/99/1052421999.db2.gz KZISNVCQTVVAKM-QWRGUYRKSA-N 1 0 315.230 4.379 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C(C)(C)c2ccccc2OC)c1 ZINC000237106131 1052435835 /nfs/dbraw/zinc/43/58/35/1052435835.db2.gz ASFCBCPONZMDBI-UHFFFAOYSA-N 1 0 311.425 4.285 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000237489885 1052441480 /nfs/dbraw/zinc/44/14/80/1052441480.db2.gz ZYRDISMMJHUZQP-MRXNPFEDSA-N 1 0 311.425 4.068 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCSc2ccc(Cl)cc2)cc1 ZINC000237771898 1052445923 /nfs/dbraw/zinc/44/59/23/1052445923.db2.gz QNRVZPMAJBJSTL-UHFFFAOYSA-N 1 0 302.830 4.094 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000762928010 1052457178 /nfs/dbraw/zinc/45/71/78/1052457178.db2.gz QOXDOIJASMQRJX-UHFFFAOYSA-N 1 0 318.779 4.013 20 30 DIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000387138409 1052476701 /nfs/dbraw/zinc/47/67/01/1052476701.db2.gz CKWALGSFIVBWJP-AWEZNQCLSA-N 1 0 314.816 4.283 20 30 DIEDRO CCCCc1oc2ccccc2c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780555161 1052485484 /nfs/dbraw/zinc/48/54/84/1052485484.db2.gz OWCZVQSKUMVCOT-UHFFFAOYSA-N 1 0 319.408 4.332 20 30 DIEDRO C#Cc1cccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000784659539 1052511192 /nfs/dbraw/zinc/51/11/92/1052511192.db2.gz XJGOKWHEAJEGPZ-UHFFFAOYSA-N 1 0 324.855 4.398 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC001649019461 1052516592 /nfs/dbraw/zinc/51/65/92/1052516592.db2.gz AQOIXLDVEKAYKY-UHFFFAOYSA-N 1 0 323.411 4.049 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000054978926 1052523263 /nfs/dbraw/zinc/52/32/63/1052523263.db2.gz SYVVLOXQKDGAIL-LJQANCHMSA-N 1 0 310.372 4.043 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001222654783 1052523509 /nfs/dbraw/zinc/52/35/09/1052523509.db2.gz DOSFJSWRAUZQKL-UHFFFAOYSA-N 1 0 316.448 4.410 20 30 DIEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000153350854 1052524521 /nfs/dbraw/zinc/52/45/21/1052524521.db2.gz BXEYCFIGVCRMJR-CQSZACIVSA-N 1 0 314.454 4.395 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000763229875 1052550018 /nfs/dbraw/zinc/55/00/18/1052550018.db2.gz DXGRFTYDKLYYPB-UXHICEINSA-N 1 0 322.452 4.359 20 30 DIEDRO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCC(C(C)(C)C)CC1 ZINC000763232138 1052550176 /nfs/dbraw/zinc/55/01/76/1052550176.db2.gz RAAKNKNWKOKUSH-CTWPCTMYSA-N 1 0 314.473 4.128 20 30 DIEDRO C=C[C@@H](O[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC001223310470 1052586751 /nfs/dbraw/zinc/58/67/51/1052586751.db2.gz JMLLNMDENIBBPD-WMQCIHAUSA-N 1 0 307.437 4.451 20 30 DIEDRO C=C[C@H](O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001223310288 1052587450 /nfs/dbraw/zinc/58/74/50/1052587450.db2.gz GXZNVGXYUMYTQE-RTWAWAEBSA-N 1 0 318.420 4.076 20 30 DIEDRO C[C@@H](C=[NH+]n1cnnc1-c1ccccc1)c1cccc(Cl)c1 ZINC000763359295 1052594372 /nfs/dbraw/zinc/59/43/72/1052594372.db2.gz NFMSZZKWDOBZDU-ZDUSSCGKSA-N 1 0 310.788 4.236 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)ccc1C#N ZINC000488128489 1052616679 /nfs/dbraw/zinc/61/66/79/1052616679.db2.gz MABMGFCSADPDTF-ZDUSSCGKSA-N 1 0 316.351 4.319 20 30 DIEDRO CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000763409877 1052624944 /nfs/dbraw/zinc/62/49/44/1052624944.db2.gz VFIXBZISVHRERM-UTKZUKDTSA-N 1 0 322.452 4.455 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763409904 1052625254 /nfs/dbraw/zinc/62/52/54/1052625254.db2.gz VFYCWUYEKQCQMH-WOJBJXKFSA-N 1 0 308.425 4.065 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O[C@@H](C#N)c1ccccc1 ZINC001223709619 1052629373 /nfs/dbraw/zinc/62/93/73/1052629373.db2.gz NTIMXSMPPITSRQ-UIFIKXQLSA-N 1 0 320.436 4.178 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H](OCCC)CC2)c1 ZINC000124020891 1052636063 /nfs/dbraw/zinc/63/60/63/1052636063.db2.gz BZVCDTLNQNARLD-SFHVURJKSA-N 1 0 303.446 4.033 20 30 DIEDRO C=CCOc1ccccc1COC1CC[NH+](C(C)(C)C)CC1 ZINC001223786660 1052637716 /nfs/dbraw/zinc/63/77/16/1052637716.db2.gz ICBDVYJGWRXRKB-UHFFFAOYSA-N 1 0 303.446 4.031 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000916837186 1052657731 /nfs/dbraw/zinc/65/77/31/1052657731.db2.gz KFCHXWNXRSUFDF-UHFFFAOYSA-N 1 0 324.468 4.387 20 30 DIEDRO C[NH+](C)CC[C@@H](O[C@H](C#N)c1cccc(F)c1)c1ccccc1 ZINC001224136980 1052672108 /nfs/dbraw/zinc/67/21/08/1052672108.db2.gz PZQKEIKCBGEZMS-RTBURBONSA-N 1 0 312.388 4.100 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000916970884 1052676550 /nfs/dbraw/zinc/67/65/50/1052676550.db2.gz UWWFPVJKAFPCTD-UHFFFAOYSA-N 1 0 324.399 4.131 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000916975508 1052676781 /nfs/dbraw/zinc/67/67/81/1052676781.db2.gz UXHFOPFFDHMZEQ-FQEVSTJZSA-N 1 0 306.409 4.164 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC(C)C)cc2)cc1 ZINC000066116827 1052686050 /nfs/dbraw/zinc/68/60/50/1052686050.db2.gz HSMXSQITSMXZJX-UHFFFAOYSA-N 1 0 311.425 4.328 20 30 DIEDRO C=CC[N@H+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C(C)C ZINC000917070937 1052692497 /nfs/dbraw/zinc/69/24/97/1052692497.db2.gz KCONHDCSMXFDOB-KRWDZBQOSA-N 1 0 322.452 4.052 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1CO[C@@H](C#Cc1ccccc1)c1ccccc1 ZINC001224705249 1052718086 /nfs/dbraw/zinc/71/80/86/1052718086.db2.gz DRZZHKNTLVINKM-YADHBBJMSA-N 1 0 319.448 4.280 20 30 DIEDRO C=C(CO[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC001224739899 1052721929 /nfs/dbraw/zinc/72/19/29/1052721929.db2.gz UYRUZMBZCWGUFM-UWJYYQICSA-N 1 0 307.437 4.237 20 30 DIEDRO C(#C[C@@H](OCCC[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC001224751278 1052723017 /nfs/dbraw/zinc/72/30/17/1052723017.db2.gz WWYXLBVAHZHGPP-JOCHJYFZSA-N 1 0 319.448 4.282 20 30 DIEDRO C=CCCCCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001224918003 1052736206 /nfs/dbraw/zinc/73/62/06/1052736206.db2.gz WEVCTRCXWSLKJK-QXAKKESOSA-N 1 0 307.478 4.114 20 30 DIEDRO C[NH+](C)CCCCO[C@@H](C#Cc1ccccc1)c1ccccc1 ZINC001225002636 1052742264 /nfs/dbraw/zinc/74/22/64/1052742264.db2.gz WRHGLWWOWIQIBK-NRFANRHFSA-N 1 0 307.437 4.138 20 30 DIEDRO CC1([N@H+](CCCCC#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000128809733 1052754315 /nfs/dbraw/zinc/75/43/15/1052754315.db2.gz GOVLFYGSJRDGOT-UHFFFAOYSA-N 1 0 314.429 4.244 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](Cc2cnoc2C)C(C)(C)C)cc1 ZINC000128917038 1052761125 /nfs/dbraw/zinc/76/11/25/1052761125.db2.gz FQZJTHJOHSRESK-UHFFFAOYSA-N 1 0 314.429 4.349 20 30 DIEDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225333618 1052775460 /nfs/dbraw/zinc/77/54/60/1052775460.db2.gz IORMXHSAAKEYPJ-OAQYLSRUSA-N 1 0 320.436 4.477 20 30 DIEDRO N#Cc1ccc(-c2ccc(OC3CCN(CCF)CC3)cc2)cc1 ZINC001225334278 1052775626 /nfs/dbraw/zinc/77/56/26/1052775626.db2.gz NZYJUSWLNBFOSH-UHFFFAOYSA-N 1 0 324.399 4.038 20 30 DIEDRO C=C[C@]1(C)CC[C@H](Oc2ccc(C[NH+](C)C)cc2)C(C)(C)O1 ZINC001225335377 1052776170 /nfs/dbraw/zinc/77/61/70/1052776170.db2.gz ZZWPAOWUJUQGFK-PKOBYXMFSA-N 1 0 303.446 4.029 20 30 DIEDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC001225335872 1052776532 /nfs/dbraw/zinc/77/65/32/1052776532.db2.gz XUBPOQKLLPCWRP-XUTJKUGGSA-N 1 0 320.436 4.477 20 30 DIEDRO C=CCCCCCC[C@@H](C)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225547546 1052802362 /nfs/dbraw/zinc/80/23/62/1052802362.db2.gz ZCNUNUUQZZNYJE-OAHLLOKOSA-N 1 0 304.434 4.479 20 30 DIEDRO COc1ccccc1[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000609280859 1052806030 /nfs/dbraw/zinc/80/60/30/1052806030.db2.gz RCRBWZDZGXRJER-IBGZPJMESA-N 1 0 306.409 4.294 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2cc(Cl)cc(C#N)c2)CC1(C)C ZINC001225698601 1052818451 /nfs/dbraw/zinc/81/84/51/1052818451.db2.gz VRKKFCYJERCXNM-UHFFFAOYSA-N 1 0 306.837 4.242 20 30 DIEDRO CCCCCCCCC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000918701451 1052824006 /nfs/dbraw/zinc/82/40/06/1052824006.db2.gz UVRXYDXVFAPWSE-UHFFFAOYSA-N 1 0 310.526 4.316 20 30 DIEDRO C[C@@H]1CCC[C@@](C/N=C/c2c(O)ccc3ccccc32)([NH+](C)C)C1 ZINC000918713032 1052825269 /nfs/dbraw/zinc/82/52/69/1052825269.db2.gz JADLNFGJSHRNEA-IRVHGHNVSA-N 1 0 324.468 4.475 20 30 DIEDRO C[C@@H]1CCC[C@@](C/N=C\c2c(O)ccc3ccccc32)([NH+](C)C)C1 ZINC000918713033 1052825339 /nfs/dbraw/zinc/82/53/39/1052825339.db2.gz JADLNFGJSHRNEA-RMIHQWIBSA-N 1 0 324.468 4.475 20 30 DIEDRO CC[N@H+](CCOc1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000918739054 1052828883 /nfs/dbraw/zinc/82/88/83/1052828883.db2.gz FVGXNYMQSRYZPN-QGZVFWFLSA-N 1 0 308.425 4.329 20 30 DIEDRO C[C@@H]([C@H](Oc1cccc(F)c1C#N)c1ccccc1)[NH+]1CCCC1 ZINC001225975446 1052855263 /nfs/dbraw/zinc/85/52/63/1052855263.db2.gz QNKWTSHQYNLTMR-YWZLYKJASA-N 1 0 324.399 4.302 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CC[C@@H](c4ccccc4)C3)CC2)c1 ZINC000556610730 1052871070 /nfs/dbraw/zinc/87/10/70/1052871070.db2.gz VCKPFTFIKHQVCM-QUCCMNQESA-N 1 0 302.421 4.473 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](Oc2cc(N)[nH+]c3ccccc32)C(C)(C)O1 ZINC001226423599 1052894872 /nfs/dbraw/zinc/89/48/72/1052894872.db2.gz ZAKIQESRLVNSJC-LPHOPBHVSA-N 1 0 312.413 4.098 20 30 DIEDRO Cc1cc(C[N@@H+](CCC#N)CC(C)C)c(O)c(C(C)(C)C)c1 ZINC000919943518 1052905571 /nfs/dbraw/zinc/90/55/71/1052905571.db2.gz LZBMJXROKXVBFQ-UHFFFAOYSA-N 1 0 302.462 4.370 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000920183118 1052926126 /nfs/dbraw/zinc/92/61/26/1052926126.db2.gz FIAMFGKAUHKOCR-LEWJYISDSA-N 1 0 320.436 4.405 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755251 1052945329 /nfs/dbraw/zinc/94/53/29/1052945329.db2.gz DTHQAGNECAPLNL-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755238 1052945376 /nfs/dbraw/zinc/94/53/76/1052945376.db2.gz UTUNDBYWKLDDEM-JTQLQIEISA-N 1 0 304.743 4.422 20 30 DIEDRO CC(C)c1ccc(CC[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000920957224 1052956565 /nfs/dbraw/zinc/95/65/65/1052956565.db2.gz QQLZCNQLDZDHPE-UHFFFAOYSA-N 1 0 308.425 4.045 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)C1 ZINC001227435072 1052990882 /nfs/dbraw/zinc/99/08/82/1052990882.db2.gz QZTCFWYVWZMGJL-JKGDOXCYSA-N 1 0 321.420 4.056 20 30 DIEDRO CC[N@@H+]1CC[C@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)C1 ZINC001227435186 1052991825 /nfs/dbraw/zinc/99/18/25/1052991825.db2.gz SOCHFZVMKDDFET-HHNLSAEISA-N 1 0 321.420 4.056 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609823494 1052994051 /nfs/dbraw/zinc/99/40/51/1052994051.db2.gz LIBNXMIUTYWLJI-UZLBHIALSA-N 1 0 306.409 4.083 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc(Cl)ccc1C#N ZINC000609891741 1052997795 /nfs/dbraw/zinc/99/77/95/1052997795.db2.gz IPZKRJNQTXCLIR-AWEZNQCLSA-N 1 0 305.853 4.278 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000609916571 1052999082 /nfs/dbraw/zinc/99/90/82/1052999082.db2.gz XWSCKIZRIKOGBQ-SUMWQHHRSA-N 1 0 312.363 4.214 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000610001990 1053002291 /nfs/dbraw/zinc/00/22/91/1053002291.db2.gz RSINCJASCSFYJO-HKUYNNGSSA-N 1 0 320.436 4.124 20 30 DIEDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000237555203 1053011078 /nfs/dbraw/zinc/01/10/78/1053011078.db2.gz KAHNEVYGXMNSOT-IAGOWNOFSA-N 1 0 308.425 4.007 20 30 DIEDRO Cc1ccccc1C(C)(C)C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000237565529 1053012203 /nfs/dbraw/zinc/01/22/03/1053012203.db2.gz OCLKVAFJWSXTFA-QGZVFWFLSA-N 1 0 322.452 4.353 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000237594528 1053013975 /nfs/dbraw/zinc/01/39/75/1053013975.db2.gz SNBWASDLIRNMEM-ZDUSSCGKSA-N 1 0 314.816 4.256 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1cccc(Cl)c1C#N)c1cccs1 ZINC001227788587 1053016992 /nfs/dbraw/zinc/01/69/92/1053016992.db2.gz BXZAMGLSILYOJB-HNNXBMFYSA-N 1 0 320.845 4.345 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000179600787 1053017107 /nfs/dbraw/zinc/01/71/07/1053017107.db2.gz BATNKOUGPXLKAK-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)cc1F ZINC000179621028 1053019395 /nfs/dbraw/zinc/01/93/95/1053019395.db2.gz GGXHDZXYWSLHHW-KRWDZBQOSA-N 1 0 304.315 4.216 20 30 DIEDRO Cc1cc(C#N)cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001227839252 1053020484 /nfs/dbraw/zinc/02/04/84/1053020484.db2.gz XHBMZWORACRCME-UWJYYQICSA-N 1 0 320.436 4.156 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCCCc2ccccc2)cc1 ZINC000237695227 1053021456 /nfs/dbraw/zinc/02/14/56/1053021456.db2.gz APRDXZYMWAOKMW-SFHVURJKSA-N 1 0 322.452 4.480 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)cc1 ZINC000237693520 1053021553 /nfs/dbraw/zinc/02/15/53/1053021553.db2.gz HTJZAQCOEZRYAS-AWEZNQCLSA-N 1 0 312.388 4.141 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(F)c3)CCCCC2)o1 ZINC000237736795 1053023575 /nfs/dbraw/zinc/02/35/75/1053023575.db2.gz PTGRZYQMVSMLRK-UHFFFAOYSA-N 1 0 312.388 4.282 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCS2 ZINC000615649512 1053024807 /nfs/dbraw/zinc/02/48/07/1053024807.db2.gz SXOOMAJPOFBGLL-FZKQIMNGSA-N 1 0 324.449 4.455 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCS2 ZINC000615649517 1053024957 /nfs/dbraw/zinc/02/49/57/1053024957.db2.gz SXOOMAJPOFBGLL-UGSOOPFHSA-N 1 0 324.449 4.455 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc(F)c(F)c1 ZINC000615759412 1053030695 /nfs/dbraw/zinc/03/06/95/1053030695.db2.gz VHSAVMAWUSKPNP-IBGZPJMESA-N 1 0 312.363 4.046 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)cc1 ZINC000237841960 1053031693 /nfs/dbraw/zinc/03/16/93/1053031693.db2.gz ZUCYIDYGLKFPGM-OAQYLSRUSA-N 1 0 320.436 4.132 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCc2c(Cl)cccc2Cl)c1 ZINC000237840753 1053031739 /nfs/dbraw/zinc/03/17/39/1053031739.db2.gz SVMBVSSILGRDSD-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c1 ZINC000237832615 1053031953 /nfs/dbraw/zinc/03/19/53/1053031953.db2.gz PQYXZPGLTQVHCU-UHFFFAOYSA-N 1 0 309.800 4.025 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000179906723 1053034900 /nfs/dbraw/zinc/03/49/00/1053034900.db2.gz WSMGVXBNXMTVSE-MGPUTAFESA-N 1 0 306.409 4.097 20 30 DIEDRO Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1F ZINC000179932098 1053036773 /nfs/dbraw/zinc/03/67/73/1053036773.db2.gz ONMWUBDVFWUASI-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO Cc1c(C#N)cccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001228027945 1053038297 /nfs/dbraw/zinc/03/82/97/1053038297.db2.gz TVCXCNLWPZKGDN-UZLBHIALSA-N 1 0 320.436 4.156 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC(C)=O)cc1)c1ccccc1 ZINC000180051472 1053043176 /nfs/dbraw/zinc/04/31/76/1053043176.db2.gz WHVHAJMQYWHTFO-HXUWFJFHSA-N 1 0 309.409 4.409 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H](C)OCc1ccccc1)c1cccc(C#N)c1 ZINC000616114094 1053046073 /nfs/dbraw/zinc/04/60/73/1053046073.db2.gz OZTLRPYCWLFENA-DLBZAZTESA-N 1 0 308.425 4.204 20 30 DIEDRO Cc1cc(O[C@@H](CC[NH+](C)C)c2ccccc2)c(C)cc1C#N ZINC001228146990 1053047482 /nfs/dbraw/zinc/04/74/82/1053047482.db2.gz IIUWRUKGFHNZBH-IBGZPJMESA-N 1 0 308.425 4.247 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180555044 1053069695 /nfs/dbraw/zinc/06/96/95/1053069695.db2.gz MTIFOQJSPKALHM-IBGZPJMESA-N 1 0 308.425 4.008 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cnc2ccsc2c1 ZINC000180551712 1053069910 /nfs/dbraw/zinc/06/99/10/1053069910.db2.gz NWWBTKYMIRCGNU-CYBMUJFWSA-N 1 0 323.421 4.049 20 30 DIEDRO Cc1cccc(CC[C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000180554842 1053070897 /nfs/dbraw/zinc/07/08/97/1053070897.db2.gz WNYWMFLYASALJR-KRWDZBQOSA-N 1 0 308.425 4.008 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000180991737 1053119229 /nfs/dbraw/zinc/11/92/29/1053119229.db2.gz WSHXIEGKXVBRLI-HNNXBMFYSA-N 1 0 318.829 4.277 20 30 DIEDRO C[NH+]1CCC(Oc2ccccc2/C=C/C(=O)c2ccccc2)CC1 ZINC001228545083 1053130843 /nfs/dbraw/zinc/13/08/43/1053130843.db2.gz WDRDAMZIDKPQFY-VAWYXSNFSA-N 1 0 321.420 4.056 20 30 DIEDRO COc1ccccc1C1([NH2+]Cc2ccc(C)c(C#N)c2)CCC1 ZINC001351381176 1053172748 /nfs/dbraw/zinc/17/27/48/1053172748.db2.gz FUQNOWAHOBDVPC-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181284852 1053178576 /nfs/dbraw/zinc/17/85/76/1053178576.db2.gz LAKGCWLSINJUJN-LSDHHAIUSA-N 1 0 302.418 4.039 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2(c3ccccc3OC)CCC2)c1 ZINC001318882481 1053201933 /nfs/dbraw/zinc/20/19/33/1053201933.db2.gz QWZUTXIVKODXLI-UHFFFAOYSA-N 1 0 323.436 4.429 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1cccc(C#N)c1 ZINC000181424384 1053204595 /nfs/dbraw/zinc/20/45/95/1053204595.db2.gz OYFWHURLOVOSFC-LBPRGKRZSA-N 1 0 320.314 4.308 20 30 DIEDRO CCCCCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181437280 1053208835 /nfs/dbraw/zinc/20/88/35/1053208835.db2.gz IJZKIPNQYHMUSU-DLBZAZTESA-N 1 0 308.510 4.116 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Oc1ccc2c(c1)CC[N@@H+](C)C2 ZINC001228945344 1053211672 /nfs/dbraw/zinc/21/16/72/1053211672.db2.gz UHFRYDOYLAAIPZ-INIZCTEOSA-N 1 0 323.436 4.379 20 30 DIEDRO C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000181553314 1053243195 /nfs/dbraw/zinc/24/31/95/1053243195.db2.gz WSUIXFZWHLBRHC-QGZVFWFLSA-N 1 0 307.441 4.125 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000181571850 1053246121 /nfs/dbraw/zinc/24/61/21/1053246121.db2.gz RJCKCGKAAIRWGW-KXBFYZLASA-N 1 0 306.409 4.317 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)COCc1ccccc1 ZINC000181606912 1053259304 /nfs/dbraw/zinc/25/93/04/1053259304.db2.gz MLRMIBXULZJKAC-IRXDYDNUSA-N 1 0 308.425 4.062 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000772952547 1053267157 /nfs/dbraw/zinc/26/71/57/1053267157.db2.gz HQQFMBQRQXSDED-MOMVYJMYSA-N 1 0 318.420 4.114 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001319732166 1053268519 /nfs/dbraw/zinc/26/85/19/1053268519.db2.gz AXPOGBKHKYZZOT-OAQYLSRUSA-N 1 0 304.437 4.141 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739374 1053271670 /nfs/dbraw/zinc/27/16/70/1053271670.db2.gz QPZNUBURGJRRGB-INIZCTEOSA-N 1 0 302.393 4.358 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000091739549 1053271731 /nfs/dbraw/zinc/27/17/31/1053271731.db2.gz IAKUMRHPOQNXMO-SFHVURJKSA-N 1 0 314.404 4.358 20 30 DIEDRO Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3cccc(C#N)c3)c21 ZINC000181681670 1053274252 /nfs/dbraw/zinc/27/42/52/1053274252.db2.gz YHSRCFGYMMCMRA-HNNXBMFYSA-N 1 0 303.409 4.241 20 30 DIEDRO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccc1F ZINC001319798120 1053274349 /nfs/dbraw/zinc/27/43/49/1053274349.db2.gz AFZIFUDEHIIYNB-HNNXBMFYSA-N 1 0 312.388 4.139 20 30 DIEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001319784184 1053274421 /nfs/dbraw/zinc/27/44/21/1053274421.db2.gz MJRQJQHYPBESQA-IEBWSBKVSA-N 1 0 300.446 4.283 20 30 DIEDRO COc1ccccc1C1([NH2+][C@@H](C)c2cccc(C#N)c2)CCC1 ZINC001319855957 1053281473 /nfs/dbraw/zinc/28/14/73/1053281473.db2.gz DZYIJCZILZUDQV-HNNXBMFYSA-N 1 0 306.409 4.297 20 30 DIEDRO COc1cccc2cc(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)oc21 ZINC001319971118 1053290798 /nfs/dbraw/zinc/29/07/98/1053290798.db2.gz QNDPDDCCCPEHMT-GFCCVEGCSA-N 1 0 324.355 4.303 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 ZINC001319971537 1053291161 /nfs/dbraw/zinc/29/11/61/1053291161.db2.gz YGHIIJCGJLJRFN-OAHLLOKOSA-N 1 0 309.837 4.192 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(-n2ccnc2)c1 ZINC000181837892 1053298643 /nfs/dbraw/zinc/29/86/43/1053298643.db2.gz WDVYKIMKZBNUHN-JKSUJKDBSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1cccc(C#N)c1 ZINC000181843654 1053299476 /nfs/dbraw/zinc/29/94/76/1053299476.db2.gz XTYVQHSQXSKBDB-CVEARBPZSA-N 1 0 316.408 4.156 20 30 DIEDRO C=CCO[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC001320091972 1053303874 /nfs/dbraw/zinc/30/38/74/1053303874.db2.gz QGSSZFDOPPJRFO-FQEVSTJZSA-N 1 0 323.436 4.043 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC001320126282 1053308403 /nfs/dbraw/zinc/30/84/03/1053308403.db2.gz XWCQUXGBFRPRIE-MLGOLLRUSA-N 1 0 310.372 4.050 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1F ZINC001200002209 1053312064 /nfs/dbraw/zinc/31/20/64/1053312064.db2.gz STWMGSSFWPKYGH-UHFFFAOYSA-N 1 0 322.427 4.448 20 30 DIEDRO Cc1cc(F)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181948820 1053316844 /nfs/dbraw/zinc/31/68/44/1053316844.db2.gz LUFYSOLNFLOMDK-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO CC[N@@H+]1CC[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C1 ZINC001229428151 1053317758 /nfs/dbraw/zinc/31/77/58/1053317758.db2.gz IDPPLRVHZXLUFB-BNCSFYMNSA-N 1 0 321.420 4.056 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC001320305730 1053323206 /nfs/dbraw/zinc/32/32/06/1053323206.db2.gz DOYXSDDCTNSSKM-JSGCOSHPSA-N 1 0 321.367 4.293 20 30 DIEDRO Cc1ccccc1OCCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181996559 1053323920 /nfs/dbraw/zinc/32/39/20/1053323920.db2.gz RZKZFXKKRBYZAC-KRWDZBQOSA-N 1 0 324.424 4.017 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC001320305732 1053324194 /nfs/dbraw/zinc/32/41/94/1053324194.db2.gz DOYXSDDCTNSSKM-TZMCWYRMSA-N 1 0 321.367 4.293 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000618577906 1053324579 /nfs/dbraw/zinc/32/45/79/1053324579.db2.gz RRGVEIHEDMLVJT-LSDHHAIUSA-N 1 0 318.411 4.449 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+]([C@H](CC)c2ccc(Br)cc2)C1 ZINC001320320877 1053325811 /nfs/dbraw/zinc/32/58/11/1053325811.db2.gz KHINYDUIYITYKN-JKSUJKDBSA-N 1 0 324.262 4.177 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(C#N)c1 ZINC000618569867 1053325926 /nfs/dbraw/zinc/32/59/26/1053325926.db2.gz AZFVXXXNSVINNV-YJYMSZOUSA-N 1 0 321.380 4.195 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(C#N)cc1 ZINC000618571983 1053326972 /nfs/dbraw/zinc/32/69/72/1053326972.db2.gz AGLPIBCRAYMONQ-SJORKVTESA-N 1 0 312.800 4.386 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC001320427562 1053334026 /nfs/dbraw/zinc/33/40/26/1053334026.db2.gz GKZBAQIHTGHYRZ-DGCLKSJQSA-N 1 0 320.433 4.109 20 30 DIEDRO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1F ZINC001320480361 1053337760 /nfs/dbraw/zinc/33/77/60/1053337760.db2.gz NGJKJYDDAKXSOV-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000182072532 1053338497 /nfs/dbraw/zinc/33/84/97/1053338497.db2.gz PRPRMRGGWKAHMU-AWEZNQCLSA-N 1 0 314.816 4.079 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)Cc2ccc(C)cc2)c1 ZINC001320576660 1053346478 /nfs/dbraw/zinc/34/64/78/1053346478.db2.gz DNUPDBHQDZSYAT-FXAWDEMLSA-N 1 0 322.452 4.397 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001320591037 1053347603 /nfs/dbraw/zinc/34/76/03/1053347603.db2.gz BAOVCUVHKSBONF-XHDPSFHLSA-N 1 0 320.433 4.109 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2Nc1cc[nH+]c2cc(F)ccc12 ZINC000618694622 1053351589 /nfs/dbraw/zinc/35/15/89/1053351589.db2.gz XBBHSVDTIBWUOM-QGZVFWFLSA-N 1 0 303.340 4.345 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc[nH+]c2cc(F)ccc12 ZINC000618694621 1053351918 /nfs/dbraw/zinc/35/19/18/1053351918.db2.gz XBBHSVDTIBWUOM-KRWDZBQOSA-N 1 0 303.340 4.345 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000618742350 1053357998 /nfs/dbraw/zinc/35/79/98/1053357998.db2.gz XCQXYKWSAFTWLW-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO Cc1ccc2cc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)ccc2n1 ZINC000618741156 1053358263 /nfs/dbraw/zinc/35/82/63/1053358263.db2.gz AWWRFALFQDECSU-NRFANRHFSA-N 1 0 313.404 4.192 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000618741671 1053359131 /nfs/dbraw/zinc/35/91/31/1053359131.db2.gz KFHVFIXZRKNFNS-NRFANRHFSA-N 1 0 318.420 4.124 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(F)cc1Cl ZINC000618742384 1053359295 /nfs/dbraw/zinc/35/92/95/1053359295.db2.gz YCUPFRMRKMJMEA-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO COc1ccc(C[C@@H](C)[N@H+](C)CCCCC(C)(C)C#N)cc1 ZINC001320825575 1053363715 /nfs/dbraw/zinc/36/37/15/1053363715.db2.gz PXLBVNWNHVHHDS-MRXNPFEDSA-N 1 0 302.462 4.278 20 30 DIEDRO C=CCOc1ccccc1O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001229612228 1053364136 /nfs/dbraw/zinc/36/41/36/1053364136.db2.gz YIFOMVMJODGDBQ-GOSISDBHSA-N 1 0 311.425 4.323 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(F)c(F)c(F)c1 ZINC000618802319 1053367140 /nfs/dbraw/zinc/36/71/40/1053367140.db2.gz ISDAYAGDWQIBGX-BMLIUANNSA-N 1 0 316.326 4.314 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618801976 1053367872 /nfs/dbraw/zinc/36/78/72/1053367872.db2.gz CUGYSBODDZKURW-SFTDATJTSA-N 1 0 318.420 4.221 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000618804659 1053371221 /nfs/dbraw/zinc/37/12/21/1053371221.db2.gz BWUBSYPNFZCCCS-WOJBJXKFSA-N 1 0 306.384 4.352 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804740 1053371455 /nfs/dbraw/zinc/37/14/55/1053371455.db2.gz LSVPDXFCWISVEZ-JLTOFOAXSA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000618808081 1053372600 /nfs/dbraw/zinc/37/26/00/1053372600.db2.gz YVNZYVJWVLEXFE-DJJJIMSYSA-N 1 0 323.415 4.101 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618806888 1053373356 /nfs/dbraw/zinc/37/33/56/1053373356.db2.gz SYGCXQQCVKLBNW-RTWAWAEBSA-N 1 0 318.420 4.221 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cnn1C(C)(C)C ZINC000618807480 1053373372 /nfs/dbraw/zinc/37/33/72/1053373372.db2.gz ZXABXHVYMFKGSM-BFUOFWGJSA-N 1 0 322.456 4.156 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cnn1C(C)(C)C ZINC000618807484 1053373587 /nfs/dbraw/zinc/37/35/87/1053373587.db2.gz ZXABXHVYMFKGSM-ORAYPTAESA-N 1 0 322.456 4.156 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618807767 1053374127 /nfs/dbraw/zinc/37/41/27/1053374127.db2.gz WLZDGNLBHCLALG-VFNWGFHPSA-N 1 0 320.436 4.165 20 30 DIEDRO CC[C@]1(c2cccc(O[C@@H](C)CS)c2)CCCC[N@H+](C)C1 ZINC001229648461 1053374678 /nfs/dbraw/zinc/37/46/78/1053374678.db2.gz VDLVXUZYYYPZAI-YJBOKZPZSA-N 1 0 307.503 4.147 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccc(CC[NH+](C)C)cc2)O1 ZINC001229657052 1053376782 /nfs/dbraw/zinc/37/67/82/1053376782.db2.gz FZKWAABUGGXBPM-QUCCMNQESA-N 1 0 317.473 4.072 20 30 DIEDRO Cc1oc2ccccc2c1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618831522 1053377486 /nfs/dbraw/zinc/37/74/86/1053377486.db2.gz ZCPQFLGEALBCCS-IBGZPJMESA-N 1 0 302.377 4.390 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000182220122 1053379146 /nfs/dbraw/zinc/37/91/46/1053379146.db2.gz YQNXCEVNNPUEOH-HNNXBMFYSA-N 1 0 309.384 4.178 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(Br)o1)c1ccc(C#N)cc1 ZINC001321016139 1053381054 /nfs/dbraw/zinc/38/10/54/1053381054.db2.gz PPGAWYHSYFCNSN-AWEZNQCLSA-N 1 0 319.202 4.155 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H](OCCC)CC1 ZINC000093317155 1053383636 /nfs/dbraw/zinc/38/36/36/1053383636.db2.gz HNFMHNJMKALVPW-SFHVURJKSA-N 1 0 303.446 4.033 20 30 DIEDRO C=CC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000093359346 1053395860 /nfs/dbraw/zinc/39/58/60/1053395860.db2.gz OQSHOEXXYLZIPR-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO C=CC[N@@H+](Cc1cn(C)nc1-c1cccnc1)CC1CCCCC1 ZINC000093382942 1053397487 /nfs/dbraw/zinc/39/74/87/1053397487.db2.gz JEWJPNVDGXDNOF-UHFFFAOYSA-N 1 0 324.472 4.050 20 30 DIEDRO CC1(C)[C@H]([NH2+]Cc2cccc(OCC#N)c2)C[C@H]1c1ccccc1 ZINC001321198574 1053399914 /nfs/dbraw/zinc/39/99/14/1053399914.db2.gz ARXRALRFZMHYIJ-VQTJNVASSA-N 1 0 320.436 4.261 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2cc(C)ccc2OC)CC1 ZINC000093405892 1053402825 /nfs/dbraw/zinc/40/28/25/1053402825.db2.gz WGDMULFZFNXYEQ-LJQANCHMSA-N 1 0 316.489 4.085 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001321295507 1053406424 /nfs/dbraw/zinc/40/64/24/1053406424.db2.gz ADFKWFKYUJUUDJ-DMDPSCGWSA-N 1 0 312.335 4.160 20 30 DIEDRO C[C@@H]1SCC[N@H+](CC(C)(C)CCC#N)[C@@H]1c1ccccc1 ZINC000093535721 1053421289 /nfs/dbraw/zinc/42/12/89/1053421289.db2.gz JNKRVHUPWCOCAA-RDJZCZTQSA-N 1 0 302.487 4.495 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC001474763408 1053440576 /nfs/dbraw/zinc/44/05/76/1053440576.db2.gz XPDQCJXZIPQEAN-VXGBXAGGSA-N 1 0 320.387 4.410 20 30 DIEDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)c1 ZINC000182451006 1053440620 /nfs/dbraw/zinc/44/06/20/1053440620.db2.gz XOMWONFVWOCKJV-CQSZACIVSA-N 1 0 324.424 4.053 20 30 DIEDRO CCc1ccccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182553062 1053467346 /nfs/dbraw/zinc/46/73/46/1053467346.db2.gz DIUSGZVIBLCKLA-UHFFFAOYSA-N 1 0 319.452 4.197 20 30 DIEDRO C=C1CCC(C(=O)Nc2cccc(C[NH+](CC)CC)c2)CC1 ZINC001353158236 1053492457 /nfs/dbraw/zinc/49/24/57/1053492457.db2.gz QUDQOKHKRAZQIB-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO COc1cc2c(N[C@@H](C)c3cccc(C#N)c3)cc[nH+]c2cc1F ZINC000619483230 1053494664 /nfs/dbraw/zinc/49/46/64/1053494664.db2.gz DPVXXMDSYYXWPL-LBPRGKRZSA-N 1 0 321.355 4.427 20 30 DIEDRO COc1ccc(C)cc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508429 1053497526 /nfs/dbraw/zinc/49/75/26/1053497526.db2.gz UBMSOBCKDQKMME-FQEVSTJZSA-N 1 0 320.436 4.433 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 ZINC000619508425 1053497919 /nfs/dbraw/zinc/49/79/19/1053497919.db2.gz SXIDZQLBAAQMTA-FOIQADDNSA-N 1 0 305.425 4.114 20 30 DIEDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(CC#N)CC2)cc1 ZINC000619531832 1053501653 /nfs/dbraw/zinc/50/16/53/1053501653.db2.gz FMMLOVFHDNOZDL-UHFFFAOYSA-N 1 0 305.425 4.238 20 30 DIEDRO CCCCCCCCC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC001435297192 1053501677 /nfs/dbraw/zinc/50/16/77/1053501677.db2.gz XSXXDUKMZXBOEQ-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(NC(=O)C2CC2)cc1)c1ccco1 ZINC001322447706 1053506579 /nfs/dbraw/zinc/50/65/79/1053506579.db2.gz ZSLFPQPIRZLKKI-SFHVURJKSA-N 1 0 324.424 4.425 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1CC#N ZINC001230276666 1053511204 /nfs/dbraw/zinc/51/12/04/1053511204.db2.gz ZRANCOKVMURGQL-FXAWDEMLSA-N 1 0 320.436 4.042 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)cc(OC)c1OC ZINC001200267931 1053512220 /nfs/dbraw/zinc/51/22/20/1053512220.db2.gz KXBGCBDRACBXGV-RLFYNMQTSA-N 1 0 317.473 4.347 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC ZINC001200269650 1053514526 /nfs/dbraw/zinc/51/45/26/1053514526.db2.gz ZIQAEUAEGRLOIS-YJBOKZPZSA-N 1 0 317.473 4.348 20 30 DIEDRO CC[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccccc1OC ZINC000325727723 1053525074 /nfs/dbraw/zinc/52/50/74/1053525074.db2.gz OJBCBANVLFVSDO-MOMVYJMYSA-N 1 0 320.436 4.360 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccccc1SC ZINC001322626466 1053528996 /nfs/dbraw/zinc/52/89/96/1053528996.db2.gz PMLBTRBJRDILRD-OAHLLOKOSA-N 1 0 311.450 4.271 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC2CCOCC2)cc1 ZINC001322643036 1053531187 /nfs/dbraw/zinc/53/11/87/1053531187.db2.gz YNMNOSHDBVNNEA-HNNXBMFYSA-N 1 0 323.864 4.285 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000619724250 1053541722 /nfs/dbraw/zinc/54/17/22/1053541722.db2.gz IOPQSMFUEAXFGK-SCWSEQNSSA-N 1 0 317.436 4.257 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000619724249 1053541960 /nfs/dbraw/zinc/54/19/60/1053541960.db2.gz IOPQSMFUEAXFGK-PBEJRMEISA-N 1 0 317.436 4.257 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000619725028 1053543271 /nfs/dbraw/zinc/54/32/71/1053543271.db2.gz ZSQVMFMYMFCSIK-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3cccc(F)c3)C2)cc1Cl ZINC000619754581 1053546137 /nfs/dbraw/zinc/54/61/37/1053546137.db2.gz DWQKJKDQSQZVQG-UHFFFAOYSA-N 1 0 314.791 4.387 20 30 DIEDRO CCCCCCCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001230486952 1053546792 /nfs/dbraw/zinc/54/67/92/1053546792.db2.gz DYTJTCVDWVLRRG-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000619754892 1053547541 /nfs/dbraw/zinc/54/75/41/1053547541.db2.gz OAFLYSQTVQQFRF-JTQLQIEISA-N 1 0 306.743 4.341 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCNc3ccccc32)cc1Cl ZINC000619755911 1053547561 /nfs/dbraw/zinc/54/75/61/1053547561.db2.gz YNTCSKYVJQAVKL-GOSISDBHSA-N 1 0 311.816 4.248 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccc1N(C)C ZINC000619755071 1053547978 /nfs/dbraw/zinc/54/79/78/1053547978.db2.gz SEHTXIBPIIPPKS-CYBMUJFWSA-N 1 0 313.832 4.128 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)cn1 ZINC000619755762 1053548131 /nfs/dbraw/zinc/54/81/31/1053548131.db2.gz RTIBQVSBPZJYOA-QGZVFWFLSA-N 1 0 317.795 4.233 20 30 DIEDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755582 1053548594 /nfs/dbraw/zinc/54/85/94/1053548594.db2.gz ZYTVGXJAWKUQAA-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000619755845 1053550574 /nfs/dbraw/zinc/55/05/74/1053550574.db2.gz VZQLEMBUETXUGK-IRXDYDNUSA-N 1 0 318.848 4.039 20 30 DIEDRO N#Cc1ccc(C[NH2+]C/C=C/c2ccc(F)cc2F)cc1Cl ZINC000619748498 1053553797 /nfs/dbraw/zinc/55/37/97/1053553797.db2.gz MRDPJYPZKBMGOX-OWOJBTEDSA-N 1 0 318.754 4.293 20 30 DIEDRO CCOc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1F ZINC000619748680 1053555152 /nfs/dbraw/zinc/55/51/52/1053555152.db2.gz LJKHFTIYGLINDQ-UHFFFAOYSA-N 1 0 318.779 4.039 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1Cl ZINC000619748951 1053557094 /nfs/dbraw/zinc/55/70/94/1053557094.db2.gz ZJHXYJVDNPJJKG-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO CCc1nc2cc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)ccc2n1C1CC1 ZINC000619823077 1053565900 /nfs/dbraw/zinc/56/59/00/1053565900.db2.gz ICYQWEIKIFVYKQ-ZBFHGGJFSA-N 1 0 322.456 4.106 20 30 DIEDRO CCc1nc2cc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)ccc2n1C1CC1 ZINC000619823075 1053566357 /nfs/dbraw/zinc/56/63/57/1053566357.db2.gz ICYQWEIKIFVYKQ-GOEBONIOSA-N 1 0 322.456 4.106 20 30 DIEDRO C[C@@H]1CC(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000619823106 1053566941 /nfs/dbraw/zinc/56/69/41/1053566941.db2.gz ROHCQPAIXKLQCP-SXGZJXTBSA-N 1 0 312.457 4.119 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CS1 ZINC000619847340 1053569405 /nfs/dbraw/zinc/56/94/05/1053569405.db2.gz SHKAZEFSNHWMAC-ZFWWWQNUSA-N 1 0 308.878 4.221 20 30 DIEDRO CC(C)[NH+]1CCC(Oc2c(C#N)cccc2C(C)(C)C)CC1 ZINC001230633504 1053573061 /nfs/dbraw/zinc/57/30/61/1053573061.db2.gz UKFJPVFBAOPHQZ-UHFFFAOYSA-N 1 0 300.446 4.107 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(OCC#N)cc1 ZINC000070941068 1053577851 /nfs/dbraw/zinc/57/78/51/1053577851.db2.gz DIBPSMVBKYUVLB-LLVKDONJSA-N 1 0 306.818 4.155 20 30 DIEDRO C[C@H]([NH2+]CCc1coc(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC001323473606 1053581499 /nfs/dbraw/zinc/58/14/99/1053581499.db2.gz WHTYRSKCAIEDFY-HNNXBMFYSA-N 1 0 317.392 4.107 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000183207279 1053604774 /nfs/dbraw/zinc/60/47/74/1053604774.db2.gz KTHHIQPXJNMPGD-VLIAUNLRSA-N 1 0 324.399 4.456 20 30 DIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000131011051 1053621930 /nfs/dbraw/zinc/62/19/30/1053621930.db2.gz LTCVYFAKIRKTCU-FZKQIMNGSA-N 1 0 314.816 4.250 20 30 DIEDRO C=CCc1cccc(O[C@@H]2CCCN(c3ccc(C)cn3)C2)c1 ZINC001231010412 1053649379 /nfs/dbraw/zinc/64/93/79/1053649379.db2.gz QSMQHUZDHRACFD-LJQANCHMSA-N 1 0 308.425 4.166 20 30 DIEDRO CC(C)[N@H+](Cc1nc2ccc(F)cc2o1)Cc1ccc(C#N)cc1 ZINC000163197590 1053673013 /nfs/dbraw/zinc/67/30/13/1053673013.db2.gz SKUWZDBARVYSAZ-UHFFFAOYSA-N 1 0 323.371 4.249 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)CCC2CCCCC2)cc1C#N ZINC001200473065 1053687750 /nfs/dbraw/zinc/68/77/50/1053687750.db2.gz YJFVSAOUOPNGKY-HNNXBMFYSA-N 1 0 300.446 4.405 20 30 DIEDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231202583 1053701912 /nfs/dbraw/zinc/70/19/12/1053701912.db2.gz LOFJQNFOWIBGIR-LNKKFFRNSA-N 1 0 308.425 4.300 20 30 DIEDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231200997 1053702043 /nfs/dbraw/zinc/70/20/43/1053702043.db2.gz WBGLUBYFWPZHOM-DOAWATSRSA-N 1 0 308.425 4.299 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001325239834 1053707836 /nfs/dbraw/zinc/70/78/36/1053707836.db2.gz OMAXTKPKWZGRRD-RPCJCACASA-N 1 0 319.452 4.006 20 30 DIEDRO C=C(C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000620756728 1053729577 /nfs/dbraw/zinc/72/95/77/1053729577.db2.gz PWYIDHIRGQRKEI-UHFFFAOYSA-N 1 0 307.372 4.019 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000620756936 1053729663 /nfs/dbraw/zinc/72/96/63/1053729663.db2.gz WPCKBKZJSBTVOY-NRFANRHFSA-N 1 0 323.436 4.047 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OCC)c(OCC)c1)c1ccccc1 ZINC000620756711 1053729675 /nfs/dbraw/zinc/72/96/75/1053729675.db2.gz OOXFUKSOKPCERL-UHFFFAOYSA-N 1 0 311.425 4.287 20 30 DIEDRO CCCCCCCCCC[N@H+](C)Cc1cccc(C(=O)OC)n1 ZINC001231427390 1053748034 /nfs/dbraw/zinc/74/80/34/1053748034.db2.gz GSENSSGSRLUJSD-UHFFFAOYSA-N 1 0 320.477 4.441 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c(C(F)(F)F)nc2sccn12 ZINC001231437559 1053750878 /nfs/dbraw/zinc/75/08/78/1053750878.db2.gz VOPXVLFBYWMRCA-UHFFFAOYSA-N 1 0 317.380 4.203 20 30 DIEDRO Cn1c2ccccc2c(C[NH+]2CC(CC#N)C2)c1-c1ccccc1 ZINC001231569978 1053786228 /nfs/dbraw/zinc/78/62/28/1053786228.db2.gz AHGDAZYFLSTMFH-UHFFFAOYSA-N 1 0 315.420 4.191 20 30 DIEDRO CCCN(CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC001231567804 1053786749 /nfs/dbraw/zinc/78/67/49/1053786749.db2.gz DKRKUYVNRZRZBS-UHFFFAOYSA-N 1 0 315.642 4.228 20 30 DIEDRO C[N@H+](Cc1ccncc1)Cc1ccccc1C#Cc1ccccc1 ZINC001231577062 1053789144 /nfs/dbraw/zinc/78/91/44/1053789144.db2.gz OVXLXBKDXFOJTO-UHFFFAOYSA-N 1 0 312.416 4.113 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc3ccccc3n2)cc1 ZINC000620947471 1053802284 /nfs/dbraw/zinc/80/22/84/1053802284.db2.gz VJDRRHAEYUDFBP-UHFFFAOYSA-N 1 0 318.420 4.132 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(Cc3ccncc3)CC2)c1 ZINC001231624597 1053803877 /nfs/dbraw/zinc/80/38/77/1053803877.db2.gz RFUNXQOIRKFYNF-UHFFFAOYSA-N 1 0 322.452 4.101 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)c1 ZINC001231624901 1053805351 /nfs/dbraw/zinc/80/53/51/1053805351.db2.gz GVPVDQXZDFPOAU-MRXNPFEDSA-N 1 0 311.425 4.453 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CC(c3ccc(F)cc3)C2)cc1 ZINC001326853528 1053805466 /nfs/dbraw/zinc/80/54/66/1053805466.db2.gz OYBOPFJQQCPWLV-UHFFFAOYSA-N 1 0 308.400 4.226 20 30 DIEDRO C#Cc1cccc(C[N@H+]2CCC[C@H](c3cccc(OC)c3)C2)c1 ZINC001231661763 1053827739 /nfs/dbraw/zinc/82/77/39/1053827739.db2.gz ZCFYLTDFZZKHEV-FQEVSTJZSA-N 1 0 305.421 4.056 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1ccccc1C)c1ccc(Cl)cc1F ZINC001327256369 1053845485 /nfs/dbraw/zinc/84/54/85/1053845485.db2.gz YPOBJZSRWFIBMV-HNNXBMFYSA-N 1 0 315.779 4.098 20 30 DIEDRO CC(C)C[NH+](Cc1ccc(N(C)CCC#N)cc1)CC(C)C ZINC001231817487 1053874249 /nfs/dbraw/zinc/87/42/49/1053874249.db2.gz BKVQXBWRQJPRAD-UHFFFAOYSA-N 1 0 301.478 4.150 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001328162278 1053913492 /nfs/dbraw/zinc/91/34/92/1053913492.db2.gz XMDIWPVKYUKEJV-OAGGEKHMSA-N 1 0 304.384 4.011 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000277723663 1053929443 /nfs/dbraw/zinc/92/94/43/1053929443.db2.gz NOLWVFXEDQTUDW-LJQANCHMSA-N 1 0 314.473 4.245 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC001232083495 1053959446 /nfs/dbraw/zinc/95/94/46/1053959446.db2.gz AKCCSMUDXNOIOA-UHFFFAOYSA-N 1 0 319.452 4.025 20 30 DIEDRO CCN(Cc1ccc(C#N)c(Cl)c1)Cc1ccccc1F ZINC001232115868 1053964768 /nfs/dbraw/zinc/96/47/68/1053964768.db2.gz CNAQAZWGHUAQGE-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001330353816 1054034497 /nfs/dbraw/zinc/03/44/97/1054034497.db2.gz IGIBOSCKQABAPD-VLIAUNLRSA-N 1 0 324.399 4.141 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CC3(CC3(F)F)C2)cc1Cl ZINC001330765071 1054050558 /nfs/dbraw/zinc/05/05/58/1054050558.db2.gz FSXDGDHAOQEPAH-UHFFFAOYSA-N 1 0 313.775 4.182 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H](c2ccccc2)C2CCC2)c1 ZINC001330831309 1054052395 /nfs/dbraw/zinc/05/23/95/1054052395.db2.gz VKIFJLDETFWMOL-HXUWFJFHSA-N 1 0 306.409 4.220 20 30 DIEDRO Cc1cccc(F)c1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001232488086 1054057641 /nfs/dbraw/zinc/05/76/41/1054057641.db2.gz ZDUCOUVGOVOPOY-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1cccc(F)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001232482654 1054057709 /nfs/dbraw/zinc/05/77/09/1054057709.db2.gz TZZOTAFCEJXLKG-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO Cc1cccc(F)c1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001232483192 1054057973 /nfs/dbraw/zinc/05/79/73/1054057973.db2.gz CYAZEIDXNRAJMO-KRWDZBQOSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)cc(C)c1Br ZINC001232521471 1054063012 /nfs/dbraw/zinc/06/30/12/1054063012.db2.gz NTPGXUCGVJNLOR-UHFFFAOYSA-N 1 0 321.262 4.192 20 30 DIEDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(Cl)cc1C#N ZINC001232609703 1054082335 /nfs/dbraw/zinc/08/23/35/1054082335.db2.gz QJRKQUYGWWEQCI-UHFFFAOYSA-N 1 0 313.832 4.061 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(Cl)cc1C#N ZINC001232609268 1054083385 /nfs/dbraw/zinc/08/33/85/1054083385.db2.gz SLIVSMDTZVCFFX-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C#CC[N@@H+](Cc1c(C)cccc1OC)[C@@H]1CCc2ccccc21 ZINC001232624933 1054084994 /nfs/dbraw/zinc/08/49/94/1054084994.db2.gz DVDUFHXARDDLKS-HXUWFJFHSA-N 1 0 305.421 4.126 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CCc4ccccc43)CC2)s1 ZINC001232844256 1054131118 /nfs/dbraw/zinc/13/11/18/1054131118.db2.gz KTKSXJXZXWJCSO-UHFFFAOYSA-N 1 0 308.450 4.100 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC(=C)c2ccccc2)ccc1OC ZINC000622267175 1054134985 /nfs/dbraw/zinc/13/49/85/1054134985.db2.gz CLFTWBUMEAXRDD-UHFFFAOYSA-N 1 0 323.436 4.453 20 30 DIEDRO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001232892541 1054140686 /nfs/dbraw/zinc/14/06/86/1054140686.db2.gz OVRAAOPOFMQUTP-LJQANCHMSA-N 1 0 312.363 4.044 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1cc(F)ccc1C#N ZINC001232891381 1054141721 /nfs/dbraw/zinc/14/17/21/1054141721.db2.gz FOGFKMPQROLTIG-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)CCO2 ZINC000848566799 1054152944 /nfs/dbraw/zinc/15/29/44/1054152944.db2.gz JDOHZWPARQDCPZ-HNNXBMFYSA-N 1 0 318.420 4.223 20 30 DIEDRO COC1(c2ccccc2)CC[NH+](Cc2ccc(C)cc2C#N)CC1 ZINC001232967579 1054161643 /nfs/dbraw/zinc/16/16/43/1054161643.db2.gz QQYXAYRNSBMTFN-UHFFFAOYSA-N 1 0 320.436 4.004 20 30 DIEDRO Cc1cc(C)c(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cn1 ZINC001233007211 1054170170 /nfs/dbraw/zinc/17/01/70/1054170170.db2.gz MVCISYPBPCFZIK-UHFFFAOYSA-N 1 0 319.452 4.025 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC001334034644 1054178010 /nfs/dbraw/zinc/17/80/10/1054178010.db2.gz XGXHLJFAYNPONR-KRWDZBQOSA-N 1 0 324.449 4.066 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cs1 ZINC001334124055 1054181868 /nfs/dbraw/zinc/18/18/68/1054181868.db2.gz QGAUOCVQLXTUKQ-UHFFFAOYSA-N 1 0 323.421 4.141 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC001233080981 1054182294 /nfs/dbraw/zinc/18/22/94/1054182294.db2.gz JBHSJQKVLOTMDO-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001233079825 1054183953 /nfs/dbraw/zinc/18/39/53/1054183953.db2.gz OWOLXMJRIGSVLV-UHFFFAOYSA-N 1 0 314.432 4.427 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(C(F)F)cc2)c1 ZINC000184879568 1054231068 /nfs/dbraw/zinc/23/10/68/1054231068.db2.gz ZUVYYUZYONGMKK-UHFFFAOYSA-N 1 0 303.356 4.168 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2c(Cl)cccc2C#N)CC1(C)C ZINC001233547368 1054293660 /nfs/dbraw/zinc/29/36/60/1054293660.db2.gz JRZCIKIBPKHGSN-UHFFFAOYSA-N 1 0 306.837 4.242 20 30 DIEDRO C=CCc1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001233594322 1054305980 /nfs/dbraw/zinc/30/59/80/1054305980.db2.gz JHTQBYLATUMMMB-UHFFFAOYSA-N 1 0 307.437 4.459 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cccc(C#N)c2)cc1 ZINC000848986036 1054322832 /nfs/dbraw/zinc/32/28/32/1054322832.db2.gz RHNFYCJHKOGINY-AWEZNQCLSA-N 1 0 306.413 4.208 20 30 DIEDRO C=C1CCC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC001356470713 1054338592 /nfs/dbraw/zinc/33/85/92/1054338592.db2.gz OZCRLTRUUFXCNW-UHFFFAOYSA-N 1 0 312.457 4.010 20 30 DIEDRO N#Cc1cccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000849061323 1054368857 /nfs/dbraw/zinc/36/88/57/1054368857.db2.gz LOGCUTGXCDVTCL-UHFFFAOYSA-N 1 0 318.424 4.012 20 30 DIEDRO CC(C)[NH+]1CCC(Oc2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC001233861763 1054376222 /nfs/dbraw/zinc/37/62/22/1054376222.db2.gz XMUGSOYXLBOBQF-UHFFFAOYSA-N 1 0 320.436 4.477 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCCCC1(C#N)CCC1 ZINC001341104874 1054378563 /nfs/dbraw/zinc/37/85/63/1054378563.db2.gz IUNNLTLEZMBDQX-HNNXBMFYSA-N 1 0 316.493 4.461 20 30 DIEDRO C=C(C)C(C)(C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001441256610 1054388518 /nfs/dbraw/zinc/38/85/18/1054388518.db2.gz UGYCXVYPUJSSQA-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001442558892 1054425314 /nfs/dbraw/zinc/42/53/14/1054425314.db2.gz LXCNABLQBDXIPQ-ATEOEAFZSA-N 1 0 320.521 4.380 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001443126633 1054441244 /nfs/dbraw/zinc/44/12/44/1054441244.db2.gz WCJUUISRAVOUND-XGCMIMOYSA-N 1 0 320.521 4.380 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001444207102 1054469568 /nfs/dbraw/zinc/46/95/68/1054469568.db2.gz HOHUYAKKIMNBOB-OALUTQOASA-N 1 0 322.537 4.460 20 30 DIEDRO Cc1ccccc1N(C)c1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC001234250232 1054473634 /nfs/dbraw/zinc/47/36/34/1054473634.db2.gz FPULMYRDNRNVRJ-UHFFFAOYSA-N 1 0 319.452 4.499 20 30 DIEDRO CC(C)C[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001473276885 1054478348 /nfs/dbraw/zinc/47/83/48/1054478348.db2.gz FBLWAXOZLMLQNN-SFHVURJKSA-N 1 0 300.446 4.085 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C2(CO)CCCCC2)cc1 ZINC001473294613 1054514505 /nfs/dbraw/zinc/51/45/05/1054514505.db2.gz RJZRELRRIROXAV-UHFFFAOYSA-N 1 0 320.436 4.010 20 30 DIEDRO C=C[C@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)c1ccccc1 ZINC001447802074 1054576957 /nfs/dbraw/zinc/57/69/57/1054576957.db2.gz POSBPYJPVQUURK-FQEVSTJZSA-N 1 0 322.452 4.437 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCc3c(F)cccc3F)CC2)cc1 ZINC001473345541 1054584358 /nfs/dbraw/zinc/58/43/58/1054584358.db2.gz VYANPRHYWZPKAH-UHFFFAOYSA-N 1 0 324.374 4.168 20 30 DIEDRO CC(C)c1c(C#N)cccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001234852939 1054603025 /nfs/dbraw/zinc/60/30/25/1054603025.db2.gz AZDRHUOXTIHGHE-IBGZPJMESA-N 1 0 320.436 4.335 20 30 DIEDRO CC(C)c1c(C#N)cccc1OC1CC[NH+](C(C)(C)C)CC1 ZINC001234855528 1054603121 /nfs/dbraw/zinc/60/31/21/1054603121.db2.gz BRKGCQGRRJYYSO-UHFFFAOYSA-N 1 0 300.446 4.323 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997131 1054641999 /nfs/dbraw/zinc/64/19/99/1054641999.db2.gz TYBHEXKZWRDFFO-INIZCTEOSA-N 1 0 306.409 4.185 20 30 DIEDRO CCCCC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC001168529335 1054649118 /nfs/dbraw/zinc/64/91/18/1054649118.db2.gz KTMKFGBBCZDSNM-QGZVFWFLSA-N 1 0 315.461 4.081 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(-c2nnc(C)o2)cc1)C1CCCCC1 ZINC001235068867 1054651183 /nfs/dbraw/zinc/65/11/83/1054651183.db2.gz LUJLVHYWUSADMZ-UHFFFAOYSA-N 1 0 311.429 4.366 20 30 DIEDRO C=CCCCCCCN1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235072052 1054651212 /nfs/dbraw/zinc/65/12/12/1054651212.db2.gz HNKKDHNTBFFSAR-HNNXBMFYSA-N 1 0 318.427 4.272 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@@H](O)[C@@H](C)c2ccccc2)CCCC1(C)C ZINC001473432617 1054721407 /nfs/dbraw/zinc/72/14/07/1054721407.db2.gz NVWXIPSPPQZKRH-UHOSZYNNSA-N 1 0 301.474 4.218 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000180037430 1054728577 /nfs/dbraw/zinc/72/85/77/1054728577.db2.gz OCYKJWPDYSXJMW-LJQANCHMSA-N 1 0 308.425 4.231 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180060610 1054731878 /nfs/dbraw/zinc/73/18/78/1054731878.db2.gz OKKFVRZCDAHDDV-JKSUJKDBSA-N 1 0 313.363 4.073 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001235513229 1054734119 /nfs/dbraw/zinc/73/41/19/1054734119.db2.gz AYFWQSCQCBUREQ-UHFFFAOYSA-N 1 0 316.448 4.233 20 30 DIEDRO N#CCc1ccccc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001235523738 1054736244 /nfs/dbraw/zinc/73/62/44/1054736244.db2.gz TXNHOKWDNLBWLO-IBGZPJMESA-N 1 0 308.450 4.043 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001235523708 1054737659 /nfs/dbraw/zinc/73/76/59/1054737659.db2.gz TUYPAIJCYLPWQC-KRWDZBQOSA-N 1 0 310.828 4.396 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001235525204 1054739121 /nfs/dbraw/zinc/73/91/21/1054739121.db2.gz KPNYHIZXXNKLAP-LJQANCHMSA-N 1 0 312.363 4.368 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc(C#N)c2ccccc2n1 ZINC000609891715 1054739903 /nfs/dbraw/zinc/73/99/03/1054739903.db2.gz GULKWJNEEFISFD-INIZCTEOSA-N 1 0 322.456 4.173 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CCSc3c(F)cccc32)cs1 ZINC000921506037 1054741966 /nfs/dbraw/zinc/74/19/66/1054741966.db2.gz FQHNAPYWKNNRMA-AWEZNQCLSA-N 1 0 304.415 4.086 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180261794 1054746109 /nfs/dbraw/zinc/74/61/09/1054746109.db2.gz HGKFAXISVRRFSW-CABCVRRESA-N 1 0 315.461 4.366 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001349624565 1054777553 /nfs/dbraw/zinc/77/75/53/1054777553.db2.gz ILEVMORAMKBXIL-ZDUSSCGKSA-N 1 0 310.363 4.120 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC001474122183 1054785121 /nfs/dbraw/zinc/78/51/21/1054785121.db2.gz YULWSHHYHIYWDI-UHFFFAOYSA-N 1 0 317.433 4.031 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)c(F)c2)C1 ZINC001235774877 1054803153 /nfs/dbraw/zinc/80/31/53/1054803153.db2.gz JJGYQCKYXVNQJI-QGZVFWFLSA-N 1 0 323.411 4.250 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(OCc3ccccc3)c(F)c2)CC1 ZINC001235772221 1054803520 /nfs/dbraw/zinc/80/35/20/1054803520.db2.gz ATLSBVZBSGZBJA-UHFFFAOYSA-N 1 0 323.411 4.250 20 30 DIEDRO Cc1cc(Br)cc(C)c1C[NH+]1CCC(CC#N)CC1 ZINC001235784043 1054806904 /nfs/dbraw/zinc/80/69/04/1054806904.db2.gz IUVUOYFTZMHJLS-UHFFFAOYSA-N 1 0 321.262 4.192 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623915575 1054817667 /nfs/dbraw/zinc/81/76/67/1054817667.db2.gz JRCZNIPNPAUKFD-VHSXEESVSA-N 1 0 306.759 4.239 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)c1ccc(Br)cc1 ZINC001474547411 1054823153 /nfs/dbraw/zinc/82/31/53/1054823153.db2.gz ZSSNJRQZDJSCHX-JYJNAYRXSA-N 1 0 306.247 4.148 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000624037331 1054862001 /nfs/dbraw/zinc/86/20/01/1054862001.db2.gz WFIVLFKPSOJXNE-SNVBAGLBSA-N 1 0 315.230 4.236 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000624037787 1054861599 /nfs/dbraw/zinc/86/15/99/1054861599.db2.gz ITLUUEUQVXJFFX-CYBMUJFWSA-N 1 0 300.446 4.169 20 30 DIEDRO CC(C)(C)[C@H]([NH2+]CCCSCC#N)c1ccc(F)cc1F ZINC000181631435 1054924178 /nfs/dbraw/zinc/92/41/78/1054924178.db2.gz LNGWYZFJEDMLRU-OAHLLOKOSA-N 1 0 312.429 4.288 20 30 DIEDRO CCCCCCCOc1ccc(CN2CC[C@@H](C[NH2+]C)C2)cc1 ZINC001236067680 1054924905 /nfs/dbraw/zinc/92/49/05/1054924905.db2.gz STGBZDAAEFGJOG-IBGZPJMESA-N 1 0 318.505 4.077 20 30 DIEDRO C[C@H]([NH2+]CCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182020958 1054953486 /nfs/dbraw/zinc/95/34/86/1054953486.db2.gz CHBKESDVSWKYFX-HNNXBMFYSA-N 1 0 312.388 4.359 20 30 DIEDRO Cc1nc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)ccc1C#N ZINC001236231257 1055021579 /nfs/dbraw/zinc/02/15/79/1055021579.db2.gz HMUBOFQTDGTQOC-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO Cc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)ncc1C#N ZINC001236234203 1055025353 /nfs/dbraw/zinc/02/53/53/1055025353.db2.gz YQMSEXUJKCUSSU-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO Cc1cnc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)cc1C#N ZINC001236245930 1055029216 /nfs/dbraw/zinc/02/92/16/1055029216.db2.gz WNYRECKWZKRYIF-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(CC#N)c(C#N)c2)c1 ZINC001236325360 1055057115 /nfs/dbraw/zinc/05/71/15/1055057115.db2.gz FDAAAYFOMQDPKV-UHFFFAOYSA-N 1 0 321.399 4.272 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000183743840 1055057764 /nfs/dbraw/zinc/05/77/64/1055057764.db2.gz GVXVEOZBKWSOHI-CJNGLKHVSA-N 1 0 316.470 4.096 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nc(C)cs1 ZINC000184435502 1055075503 /nfs/dbraw/zinc/07/55/03/1055075503.db2.gz XCRZBFTYCPBQHC-INIZCTEOSA-N 1 0 313.470 4.494 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2ccc3cc(C#N)c(C#N)cc3c2)c1 ZINC001236423862 1055106659 /nfs/dbraw/zinc/10/66/59/1055106659.db2.gz FJSSDVQFOZTVTI-UHFFFAOYSA-N 1 0 311.388 4.312 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2nc3c(cc2C#N)CCCC3)cc1 ZINC001236429155 1055110865 /nfs/dbraw/zinc/11/08/65/1055110865.db2.gz WHZXQXVTVSHUBJ-UHFFFAOYSA-N 1 0 319.452 4.245 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2cccc3[nH]c(C#N)cc32)cc1 ZINC001236437393 1055113573 /nfs/dbraw/zinc/11/35/73/1055113573.db2.gz QQOLDUVNSIVKDO-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO N#Cc1ccc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)c(F)c1 ZINC001236531753 1055164975 /nfs/dbraw/zinc/16/49/75/1055164975.db2.gz MPWVWJQRLMSOGC-WOJBJXKFSA-N 1 0 324.399 4.151 20 30 DIEDRO COc1ccc(C#N)cc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001236542370 1055172894 /nfs/dbraw/zinc/17/28/94/1055172894.db2.gz BZVKFNBUXAHBNR-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO COc1ccc(C#N)cc1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001236545819 1055174704 /nfs/dbraw/zinc/17/47/04/1055174704.db2.gz QYYXAZIOMCNVJV-UHFFFAOYSA-N 1 0 324.449 4.078 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cccc(C(=O)OCC)n1 ZINC001236644641 1055211228 /nfs/dbraw/zinc/21/12/28/1055211228.db2.gz KABJYQIIYQILJN-UHFFFAOYSA-N 1 0 306.450 4.051 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC001236670037 1055221190 /nfs/dbraw/zinc/22/11/90/1055221190.db2.gz SKXCTVWAWYHPQZ-UHFFFAOYSA-N 1 0 312.251 4.251 20 30 DIEDRO N#Cc1ccc(C[NH+]2C3CCCC2CCC3)cc1Br ZINC001236866440 1055294523 /nfs/dbraw/zinc/29/45/23/1055294523.db2.gz PDUQOOUTYMBEFF-UHFFFAOYSA-N 1 0 319.246 4.228 20 30 DIEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236863990 1055297308 /nfs/dbraw/zinc/29/73/08/1055297308.db2.gz QAWJQWSUYQVXOD-GFCCVEGCSA-N 1 0 307.235 4.085 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2c3ccccc3CCC[C@H]2C)cc1C#N ZINC000764977631 1055303496 /nfs/dbraw/zinc/30/34/96/1055303496.db2.gz PIOUBCIAIZCQMK-QVKFZJNVSA-N 1 0 320.436 4.370 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000765011790 1055314557 /nfs/dbraw/zinc/31/45/57/1055314557.db2.gz DYIUKCDDFBZCJY-UONOGXRCSA-N 1 0 321.449 4.450 20 30 DIEDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765016532 1055315609 /nfs/dbraw/zinc/31/56/09/1055315609.db2.gz VXLFAMFLMXFDOS-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(-c3cccc(C)c3C)nc2)CC1 ZINC001236990275 1055324293 /nfs/dbraw/zinc/32/42/93/1055324293.db2.gz SGAJFEORZAJBOV-UHFFFAOYSA-N 1 0 304.437 4.211 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001587551612 1055326441 /nfs/dbraw/zinc/32/64/41/1055326441.db2.gz ZGHZVUYNLFHVKG-QZTJIDSGSA-N 1 0 310.526 4.172 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236991701 1055329771 /nfs/dbraw/zinc/32/97/71/1055329771.db2.gz XSHSLTBEOJEORC-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001237002603 1055333811 /nfs/dbraw/zinc/33/38/11/1055333811.db2.gz UPVNTBULACOOKW-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000765284500 1055356638 /nfs/dbraw/zinc/35/66/38/1055356638.db2.gz CRBBYPWAFXYJEA-HNNXBMFYSA-N 1 0 305.377 4.296 20 30 DIEDRO C=CCC1(C(=O)Nc2cccc(C[NH+](C)C)c2)CCCCC1 ZINC001587781623 1055365190 /nfs/dbraw/zinc/36/51/90/1055365190.db2.gz NFRABZUHLFPPHR-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000765348334 1055370385 /nfs/dbraw/zinc/37/03/85/1055370385.db2.gz JUKMLLIUGITXLX-RDJZCZTQSA-N 1 0 316.445 4.429 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237114856 1055376254 /nfs/dbraw/zinc/37/62/54/1055376254.db2.gz NKKOSXNFKIKCQS-UHFFFAOYSA-N 1 0 303.324 4.079 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cccc2cc(Br)cnc21 ZINC001237135730 1055380678 /nfs/dbraw/zinc/38/06/78/1055380678.db2.gz MYMKGFMZXKDDOH-UHFFFAOYSA-N 1 0 317.230 4.171 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OC)cc2)cc1 ZINC000765460725 1055395193 /nfs/dbraw/zinc/39/51/93/1055395193.db2.gz JRVQJGFTTDALTD-CVEARBPZSA-N 1 0 309.409 4.119 20 30 DIEDRO COc1ccc2c(N[C@@H](C)c3ccc(C#N)cc3)cc[nH+]c2c1 ZINC000765468291 1055395387 /nfs/dbraw/zinc/39/53/87/1055395387.db2.gz NKRVNBHGBGRIBN-ZDUSSCGKSA-N 1 0 303.365 4.288 20 30 DIEDRO CC[C@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1OC(F)F ZINC000921524598 1055408340 /nfs/dbraw/zinc/40/83/40/1055408340.db2.gz GTCWHRATBDFKED-AWEZNQCLSA-N 1 0 322.380 4.462 20 30 DIEDRO C#Cc1cccc(C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)c1 ZINC001237250095 1055410694 /nfs/dbraw/zinc/41/06/94/1055410694.db2.gz RZSJALKFONETNX-ICSRJNTNSA-N 1 0 322.839 4.105 20 30 DIEDRO C#Cc1cccc(C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)c1 ZINC001237250097 1055410792 /nfs/dbraw/zinc/41/07/92/1055410792.db2.gz RZSJALKFONETNX-QUCCMNQESA-N 1 0 322.839 4.105 20 30 DIEDRO C[C@]1(C#N)CC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001237294150 1055418899 /nfs/dbraw/zinc/41/88/99/1055418899.db2.gz GRQWTIDDGQEFAD-OAQYLSRUSA-N 1 0 304.437 4.207 20 30 DIEDRO COc1ccc(-c2ccccc2)c(C[NH+]2CCC(C#N)CC2)c1 ZINC001237313839 1055424805 /nfs/dbraw/zinc/42/48/05/1055424805.db2.gz OFQGQTOZFSJMKF-UHFFFAOYSA-N 1 0 306.409 4.098 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC3(CCNc4ccccc43)CC2)c1 ZINC001237319539 1055426142 /nfs/dbraw/zinc/42/61/42/1055426142.db2.gz CMLMJWMUWQXEQG-UHFFFAOYSA-N 1 0 316.448 4.017 20 30 DIEDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464576 1055455633 /nfs/dbraw/zinc/45/56/33/1055455633.db2.gz FKXOOFGTZWQFRU-HNNXBMFYSA-N 1 0 315.420 4.169 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c2cc(C#N)ccc21 ZINC001237471796 1055457839 /nfs/dbraw/zinc/45/78/39/1055457839.db2.gz ZQGVQENDGSGREK-QFBILLFUSA-N 1 0 307.441 4.205 20 30 DIEDRO Cn1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237472088 1055459340 /nfs/dbraw/zinc/45/93/40/1055459340.db2.gz DUXBSPPCZXZSPF-IAGOWNOFSA-N 1 0 307.441 4.062 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc2c(F)cccc12 ZINC001237518781 1055466203 /nfs/dbraw/zinc/46/62/03/1055466203.db2.gz QPPKMXCLXTUXOO-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cccc3c(F)cccc13)C2 ZINC001237523785 1055467358 /nfs/dbraw/zinc/46/73/58/1055467358.db2.gz XWZJFHHGXULPSQ-UHFFFAOYSA-N 1 0 316.379 4.409 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1cc(C#N)c(F)cc1F ZINC001237534919 1055469040 /nfs/dbraw/zinc/46/90/40/1055469040.db2.gz SEZSRBJTFKCVKW-UHFFFAOYSA-N 1 0 320.770 4.164 20 30 DIEDRO CC(C)[N@H+](Cc1ccccc1)Cc1cc(C#N)c(F)cc1F ZINC001237533359 1055469943 /nfs/dbraw/zinc/46/99/43/1055469943.db2.gz VOCPOPAPTPDUIT-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000921539032 1055486248 /nfs/dbraw/zinc/48/62/48/1055486248.db2.gz NADNWGXCILQAGZ-SNVBAGLBSA-N 1 0 308.353 4.072 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@H]2CC)ccc1OC ZINC001620860672 1055487885 /nfs/dbraw/zinc/48/78/85/1055487885.db2.gz RSRYQCSMUKCDDF-IAGOWNOFSA-N 1 0 303.446 4.318 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921542177 1055490789 /nfs/dbraw/zinc/49/07/89/1055490789.db2.gz PHQOHOUWQMFUMN-CYBMUJFWSA-N 1 0 300.427 4.258 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237645260 1055494456 /nfs/dbraw/zinc/49/44/56/1055494456.db2.gz IHCJLFRJRGVNEP-HNNXBMFYSA-N 1 0 324.399 4.324 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnc(N(C)C)s1)c1ccccc1 ZINC001620868356 1055495777 /nfs/dbraw/zinc/49/57/77/1055495777.db2.gz AFLLREHUIYEWMC-MRXNPFEDSA-N 1 0 301.459 4.006 20 30 DIEDRO C=CCCOCC[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC001620891127 1055515147 /nfs/dbraw/zinc/51/51/47/1055515147.db2.gz UWRLRKUFPQJQRJ-UHFFFAOYSA-N 1 0 305.418 4.237 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001237753607 1055523791 /nfs/dbraw/zinc/52/37/91/1055523791.db2.gz MKFPZDJWZQAAHR-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO C#CC1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001237764872 1055525686 /nfs/dbraw/zinc/52/56/86/1055525686.db2.gz SIMINBFDMDJNBD-UHFFFAOYSA-N 1 0 316.857 4.309 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001237775233 1055529097 /nfs/dbraw/zinc/52/90/97/1055529097.db2.gz VLPQDTUNYWZVQG-CYBMUJFWSA-N 1 0 315.804 4.121 20 30 DIEDRO N#CCC1CC[NH+](Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001237775465 1055529137 /nfs/dbraw/zinc/52/91/37/1055529137.db2.gz XNVSDGZDRKKSQQ-UHFFFAOYSA-N 1 0 315.804 4.121 20 30 DIEDRO C=CC[N@H+](Cc1cccc(-c2ccccn2)n1)C1CCCCC1 ZINC001237835325 1055539168 /nfs/dbraw/zinc/53/91/68/1055539168.db2.gz FBFZYAQRASAMCI-UHFFFAOYSA-N 1 0 307.441 4.464 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCCC1 ZINC001620937429 1055551408 /nfs/dbraw/zinc/55/14/08/1055551408.db2.gz PEXZWNUXTDJAOH-UHFFFAOYSA-N 1 0 308.416 4.399 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(COc3ccccc3)cc2)CC1 ZINC001237919094 1055557675 /nfs/dbraw/zinc/55/76/75/1055557675.db2.gz DEWRZPYUUZFBFZ-UHFFFAOYSA-N 1 0 320.436 4.391 20 30 DIEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237919981 1055558922 /nfs/dbraw/zinc/55/89/22/1055558922.db2.gz KJBINQSYGNDWFJ-GOSISDBHSA-N 1 0 305.421 4.111 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(COc3ccccc3)cc2)CC1 ZINC001237921927 1055560544 /nfs/dbraw/zinc/56/05/44/1055560544.db2.gz XLYQPERUCHYDMJ-UHFFFAOYSA-N 1 0 305.421 4.111 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237922211 1055561318 /nfs/dbraw/zinc/56/13/18/1055561318.db2.gz FIXVCGAJFSNDJJ-GOSISDBHSA-N 1 0 320.436 4.391 20 30 DIEDRO C=C(C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001620945788 1055561951 /nfs/dbraw/zinc/56/19/51/1055561951.db2.gz VJBDDPVHBLZBQL-UHFFFAOYSA-N 1 0 302.399 4.379 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC001620950041 1055564911 /nfs/dbraw/zinc/56/49/11/1055564911.db2.gz NDUCXYZRTFGYAR-TZIWHRDSSA-N 1 0 319.448 4.372 20 30 DIEDRO COc1ccc(C[NH2+]CC(C)(C)c2ccc(C)cc2C)cc1C#N ZINC001620950950 1055566829 /nfs/dbraw/zinc/56/68/29/1055566829.db2.gz SMSOZUVBYCSDRR-UHFFFAOYSA-N 1 0 322.452 4.251 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)cc1 ZINC000765734641 1055573695 /nfs/dbraw/zinc/57/36/95/1055573695.db2.gz BFSPYPLHFUZQNW-SJORKVTESA-N 1 0 323.436 4.076 20 30 DIEDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921592363 1055574773 /nfs/dbraw/zinc/57/47/73/1055574773.db2.gz KUCVRBJBOINSGT-UHFFFAOYSA-N 1 0 300.427 4.087 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@]2(C)CCCC[C@@H]2C)cc1OC ZINC001620959536 1055590542 /nfs/dbraw/zinc/59/05/42/1055590542.db2.gz BVXNQLQHTISSLO-HNAYVOBHSA-N 1 0 303.446 4.318 20 30 DIEDRO Cc1cc(F)cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1O ZINC001238067282 1055600314 /nfs/dbraw/zinc/60/03/14/1055600314.db2.gz NCZNDZAVSLFISV-UHFFFAOYSA-N 1 0 324.399 4.091 20 30 DIEDRO CCN(Cc1cccc(F)c1)Cc1ccc(C#N)cc1Cl ZINC001238086621 1055603968 /nfs/dbraw/zinc/60/39/68/1055603968.db2.gz KUHQOXZRKVQGSA-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO COc1ccccc1[C@@H](C)N(C)Cc1ccc(C#N)cc1Cl ZINC001238086868 1055604136 /nfs/dbraw/zinc/60/41/36/1055604136.db2.gz PJUWORIXRZYQPR-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC001620960573 1055605950 /nfs/dbraw/zinc/60/59/50/1055605950.db2.gz QEFQEHITSKRFMA-ICSRJNTNSA-N 1 0 323.484 4.448 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(Cl)c(C#N)c1 ZINC001238191259 1055617806 /nfs/dbraw/zinc/61/78/06/1055617806.db2.gz KWTIQHSVUUDGHX-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO CC1(C)CCC2(CC[NH+](Cc3ccc(Cl)c(C#N)c3)CC2)O1 ZINC001238198053 1055618699 /nfs/dbraw/zinc/61/86/99/1055618699.db2.gz FUFHHBTWURNACK-UHFFFAOYSA-N 1 0 318.848 4.135 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238203703 1055620427 /nfs/dbraw/zinc/62/04/27/1055620427.db2.gz OXRHDEHZHYTEOV-UHFFFAOYSA-N 1 0 303.409 4.265 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cc(Br)cc(OCC)c1 ZINC001238247931 1055629985 /nfs/dbraw/zinc/62/99/85/1055629985.db2.gz DUOIOVPMIAMILB-UHFFFAOYSA-N 1 0 310.235 4.022 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(C)c1)Cc1ccc(C#N)c(OC)c1 ZINC001238416582 1055653754 /nfs/dbraw/zinc/65/37/54/1055653754.db2.gz OYSCMEJGCONRKS-UHFFFAOYSA-N 1 0 308.425 4.206 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H]2[C@H](c3ccccc3)C2(C)C)ccc1C#N ZINC001620964953 1055672256 /nfs/dbraw/zinc/67/22/56/1055672256.db2.gz MDQKVOATBWHSQM-PMACEKPBSA-N 1 0 304.437 4.396 20 30 DIEDRO N#Cc1ccc2c(c1)CN(Cc1ccc(F)c(C3CC3)c1)CC2 ZINC001238497163 1055673344 /nfs/dbraw/zinc/67/33/44/1055673344.db2.gz AUGSSEOLZOMJQH-UHFFFAOYSA-N 1 0 306.384 4.133 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238558382 1055686983 /nfs/dbraw/zinc/68/69/83/1055686983.db2.gz MYIVTWUTLFFPFH-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO C=CCN(Cc1ccccc1)Cc1cnc(F)c(OC(C)C)c1 ZINC001238604419 1055693765 /nfs/dbraw/zinc/69/37/65/1055693765.db2.gz SEJACGKXBQXBSC-UHFFFAOYSA-N 1 0 314.404 4.196 20 30 DIEDRO C=CC(C)(C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001596338573 1055697885 /nfs/dbraw/zinc/69/78/85/1055697885.db2.gz NJYZJSQIDGNFCM-UHFFFAOYSA-N 1 0 300.446 4.069 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ncc2Cl)C1 ZINC001238625918 1055702786 /nfs/dbraw/zinc/70/27/86/1055702786.db2.gz MLIPNJPXHZUWLP-HNNXBMFYSA-N 1 0 310.828 4.247 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(-c3ccc(F)cc3OC)c2)CC1 ZINC001238635099 1055704564 /nfs/dbraw/zinc/70/45/64/1055704564.db2.gz ACHZBFMDMTZVCP-UHFFFAOYSA-N 1 0 323.411 4.347 20 30 DIEDRO C#CC1CC[NH+](Cc2cc(-c3ccccc3)ncc2Cl)CC1 ZINC001238634474 1055706160 /nfs/dbraw/zinc/70/61/60/1055706160.db2.gz UNLHGBFGKQQNAF-UHFFFAOYSA-N 1 0 310.828 4.247 20 30 DIEDRO CSc1cc(C)cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001238676195 1055718422 /nfs/dbraw/zinc/71/84/22/1055718422.db2.gz SOKNGOZQQBYPAI-UHFFFAOYSA-N 1 0 308.450 4.147 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)COC(C)C)cc1Cl ZINC001620968071 1055718901 /nfs/dbraw/zinc/71/89/01/1055718901.db2.gz KGRIJIVVJBHGLA-UHFFFAOYSA-N 1 0 311.853 4.198 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238684559 1055720260 /nfs/dbraw/zinc/72/02/60/1055720260.db2.gz HEUUJFQGJUPYLU-OAHLLOKOSA-N 1 0 310.828 4.247 20 30 DIEDRO C=Cc1ccc(CNc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001168577572 1055734258 /nfs/dbraw/zinc/73/42/58/1055734258.db2.gz FWMQGBPDBQAGOU-HYARGMPZSA-N 1 0 304.397 4.035 20 30 DIEDRO CCc1cc(C[N@H+](CC)Cc2cccc(OC)c2)ccc1C#N ZINC001238770072 1055744412 /nfs/dbraw/zinc/74/44/12/1055744412.db2.gz XDJJAZSBBADMJZ-UHFFFAOYSA-N 1 0 308.425 4.151 20 30 DIEDRO CCc1cc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)ccc1C#N ZINC001238767404 1055745563 /nfs/dbraw/zinc/74/55/63/1055745563.db2.gz BMCYLDDMQUWYAQ-INIZCTEOSA-N 1 0 322.452 4.192 20 30 DIEDRO CCc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)ccc1C#N ZINC001238777673 1055748150 /nfs/dbraw/zinc/74/81/50/1055748150.db2.gz FSTIUXAVPSWCIF-OAQYLSRUSA-N 1 0 320.436 4.466 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)ccc1C#N ZINC001238778275 1055749804 /nfs/dbraw/zinc/74/98/04/1055749804.db2.gz LEKJAEGNDUHXGP-IBGZPJMESA-N 1 0 308.400 4.249 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1F)c1ccccc1Cl ZINC001649054843 1055777330 /nfs/dbraw/zinc/77/73/30/1055777330.db2.gz NNAFIPIAIIVLHJ-UHFFFAOYSA-N 1 0 316.807 4.418 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(Cl)cc(C#N)c1 ZINC001168581810 1055784929 /nfs/dbraw/zinc/78/49/29/1055784929.db2.gz ZNFILLPMOVPAAP-UHFFFAOYSA-N 1 0 300.789 4.035 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000347551287 1055806040 /nfs/dbraw/zinc/80/60/40/1055806040.db2.gz FHEBAFFZWRPZLP-UHFFFAOYSA-N 1 0 313.420 4.426 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2ccccc2C1 ZINC001620974257 1055811986 /nfs/dbraw/zinc/81/19/86/1055811986.db2.gz HJGRFACZWPHHAL-RBBKRZOGSA-N 1 0 316.448 4.473 20 30 DIEDRO CCCCCCCCC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001597340522 1055815982 /nfs/dbraw/zinc/81/59/82/1055815982.db2.gz HHYBXWSAVVPWQP-FGTMMUONSA-N 1 0 310.526 4.220 20 30 DIEDRO N#Cc1cc(-c2coc3ccccc32)ccc1OC1CC[NH2+]CC1 ZINC001239063231 1055835626 /nfs/dbraw/zinc/83/56/26/1055835626.db2.gz CXCQXJZQOPJQES-UHFFFAOYSA-N 1 0 318.376 4.102 20 30 DIEDRO C=CCCCN(CC)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC001539485324 1055853959 /nfs/dbraw/zinc/85/39/59/1055853959.db2.gz IEFCNCJRBHWBNS-UHFFFAOYSA-N 1 0 316.489 4.345 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001239279405 1055859001 /nfs/dbraw/zinc/85/90/01/1055859001.db2.gz SGUYBKPAZPDBKT-PKOBYXMFSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCCCCCOC(=O)Nc1cncc(C[NH3+])c1 ZINC001239312347 1055863996 /nfs/dbraw/zinc/86/39/96/1055863996.db2.gz OKUHMMASNYYNCQ-UHFFFAOYSA-N 1 0 307.438 4.230 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001620977823 1055865236 /nfs/dbraw/zinc/86/52/36/1055865236.db2.gz GEHCZYYSOCPTFC-YOEHRIQHSA-N 1 0 317.816 4.281 20 30 DIEDRO CCCCCCCCOC(=O)N1CCC2(CCCC[NH2+]2)CC1 ZINC001239328094 1055872881 /nfs/dbraw/zinc/87/28/81/1055872881.db2.gz CMSUJSJVFJXPRB-UHFFFAOYSA-N 1 0 310.482 4.092 20 30 DIEDRO CCCCCCCCOC(=O)N1CCC[C@]12CCC[NH2+]CC2 ZINC001239328673 1055873959 /nfs/dbraw/zinc/87/39/59/1055873959.db2.gz KFBXEEFSOXATOM-SFHVURJKSA-N 1 0 310.482 4.092 20 30 DIEDRO CCCCCCCCCCCCNC(=S)N1CC[C@H]1[NH2+]C ZINC001239447315 1055889550 /nfs/dbraw/zinc/88/95/50/1055889550.db2.gz JIYOHTPKRUJDBR-INIZCTEOSA-N 1 0 313.555 4.033 20 30 DIEDRO C=C[C@](C)(CC)C(=O)N[C@H](CC[NH+](CC)CC)c1ccccc1 ZINC001539914121 1055930959 /nfs/dbraw/zinc/93/09/59/1055930959.db2.gz GODJZYMPMPXDPK-UYAOXDASSA-N 1 0 316.489 4.178 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC001620782808 1055950915 /nfs/dbraw/zinc/95/09/15/1055950915.db2.gz IFFHGJAXWKBVDC-CMPLNLGQSA-N 1 0 300.265 4.345 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC001620573844 1055969910 /nfs/dbraw/zinc/96/99/10/1055969910.db2.gz YSBMYBBQPXNBPT-KRWDZBQOSA-N 1 0 323.411 4.250 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2ncc(-c3ccccc3)s2)cc1 ZINC001621004158 1055971383 /nfs/dbraw/zinc/97/13/83/1055971383.db2.gz LKMBVXVZFKBXAQ-UHFFFAOYSA-N 1 0 319.433 4.014 20 30 DIEDRO CC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC001621005853 1055973351 /nfs/dbraw/zinc/97/33/51/1055973351.db2.gz QIDNZGZGOZSQPH-LJQANCHMSA-N 1 0 308.425 4.068 20 30 DIEDRO C=CCOCCC[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC001621007482 1055974050 /nfs/dbraw/zinc/97/40/50/1055974050.db2.gz CBQQMIAOCZFACR-UHFFFAOYSA-N 1 0 311.425 4.045 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001620646529 1055976615 /nfs/dbraw/zinc/97/66/15/1055976615.db2.gz DKZJMBMOTRFYOB-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001620654379 1055977101 /nfs/dbraw/zinc/97/71/01/1055977101.db2.gz FQMFVNKIJMPRHW-IBGZPJMESA-N 1 0 324.509 4.432 20 30 DIEDRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000186206292 1055977524 /nfs/dbraw/zinc/97/75/24/1055977524.db2.gz QZPGZKWAKLACQA-HXUWFJFHSA-N 1 0 320.436 4.373 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cc(OC)ccc1Br ZINC001620646617 1055977786 /nfs/dbraw/zinc/97/77/86/1055977786.db2.gz IQHXBDBWTQXUDX-UHFFFAOYSA-N 1 0 312.251 4.246 20 30 DIEDRO CCCCCCC[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001620699449 1055981259 /nfs/dbraw/zinc/98/12/59/1055981259.db2.gz XOFAVRMHKIFUKS-UHFFFAOYSA-N 1 0 324.831 4.120 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccccc1OCc1ccccn1 ZINC001621016749 1055981571 /nfs/dbraw/zinc/98/15/71/1055981571.db2.gz WDNMWPIMLOKONU-UHFFFAOYSA-N 1 0 310.441 4.353 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001620705812 1055983438 /nfs/dbraw/zinc/98/34/38/1055983438.db2.gz ZLZSLRSLXGFGDS-DZGCQCFKSA-N 1 0 313.363 4.462 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001620709108 1055984628 /nfs/dbraw/zinc/98/46/28/1055984628.db2.gz SYOKOHZTTOVFOT-IBGZPJMESA-N 1 0 304.437 4.385 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC001620742719 1055990366 /nfs/dbraw/zinc/99/03/66/1055990366.db2.gz UKPDBZHBWVKTIM-DOTOQJQBSA-N 1 0 313.420 4.154 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC001620742722 1055991225 /nfs/dbraw/zinc/99/12/25/1055991225.db2.gz UKPDBZHBWVKTIM-WBVHZDCISA-N 1 0 313.420 4.154 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC001621028583 1055992958 /nfs/dbraw/zinc/99/29/58/1055992958.db2.gz ILDPXSPQMXRHTR-UHFFFAOYSA-N 1 0 315.436 4.402 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccncc1 ZINC001620800055 1055994168 /nfs/dbraw/zinc/99/41/68/1055994168.db2.gz WLOYQIZBUOSYIW-INIZCTEOSA-N 1 0 322.330 4.387 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(CC3CCC3)c1)C2 ZINC001621042189 1056002932 /nfs/dbraw/zinc/00/29/32/1056002932.db2.gz QKUQUSDHPDGJGL-JOCHJYFZSA-N 1 0 316.448 4.158 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001621045589 1056003757 /nfs/dbraw/zinc/00/37/57/1056003757.db2.gz AAASAOIIUIJHSQ-HNNXBMFYSA-N 1 0 321.873 4.485 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(SCC)cc1 ZINC001621047045 1056006378 /nfs/dbraw/zinc/00/63/78/1056006378.db2.gz FCKOETCERKUHAB-UHFFFAOYSA-N 1 0 311.450 4.100 20 30 DIEDRO C=C(C)C[N@H+](CCc1cccc(Cl)c1)Cc1ccc(CO)o1 ZINC001621327217 1056034839 /nfs/dbraw/zinc/03/48/39/1056034839.db2.gz MCJLEHXRFUEFFD-UHFFFAOYSA-N 1 0 319.832 4.046 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC001621340195 1056046271 /nfs/dbraw/zinc/04/62/71/1056046271.db2.gz DEAMVZRUPFWBKO-CYBMUJFWSA-N 1 0 308.263 4.108 20 30 DIEDRO C[C@@H]1CC[C@H](Nc2cccc(CC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001621341516 1056049852 /nfs/dbraw/zinc/04/98/52/1056049852.db2.gz QHBBWTYUOIXZPG-UTKZUKDTSA-N 1 0 319.452 4.218 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001540963905 1056087476 /nfs/dbraw/zinc/08/74/76/1056087476.db2.gz KMULIISTJXXKOD-KSZLIROESA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001542186179 1056108320 /nfs/dbraw/zinc/10/83/20/1056108320.db2.gz NYZLFLAYVSTROZ-ZWKOTPCHSA-N 1 0 310.526 4.220 20 30 DIEDRO Cc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c(Cl)c1 ZINC001239863385 1056115740 /nfs/dbraw/zinc/11/57/40/1056115740.db2.gz HEZCOCLDCLQMOX-UHFFFAOYSA-N 1 0 310.828 4.460 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC(c2ccccc2)C1 ZINC000553261752 1056120851 /nfs/dbraw/zinc/12/08/51/1056120851.db2.gz RJHUPICECMRUKG-GZNCHQMQSA-N 1 0 302.421 4.471 20 30 DIEDRO N#Cc1c(F)cc(-c2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC001239921415 1056161222 /nfs/dbraw/zinc/16/12/22/1056161222.db2.gz ZFFVNBPHDLDEAK-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO N#Cc1c(F)cc(-c2ccc(F)c(C[NH+]3CCCC3)c2)cc1F ZINC001239930933 1056167828 /nfs/dbraw/zinc/16/78/28/1056167828.db2.gz BVJIPWVNXMTNBB-UHFFFAOYSA-N 1 0 316.326 4.238 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2cc(F)c(C#N)c(F)c2)c1F ZINC001239930980 1056167947 /nfs/dbraw/zinc/16/79/47/1056167947.db2.gz COVUCJBAUSGAEI-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO N#CC1(c2ccccc2-c2cncc3ccccc32)CC[NH2+]CC1 ZINC001239949153 1056183491 /nfs/dbraw/zinc/18/34/91/1056183491.db2.gz XAGZYZRTJVUHPG-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cs1 ZINC000921685122 1056264873 /nfs/dbraw/zinc/26/48/73/1056264873.db2.gz UHYAEIQILYKHSM-KRWDZBQOSA-N 1 0 300.402 4.390 20 30 DIEDRO CCCc1ccc(CNc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001168635570 1056274461 /nfs/dbraw/zinc/27/44/61/1056274461.db2.gz NFZVPUWEIRSRGI-HZHRSRAPSA-N 1 0 320.440 4.344 20 30 DIEDRO N#Cc1c2ccccc2cnc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240044180 1056277739 /nfs/dbraw/zinc/27/77/39/1056277739.db2.gz CGZVFKMRRIMWRF-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO N#Cc1ccc2c(c1)nccc2-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240058020 1056291590 /nfs/dbraw/zinc/29/15/90/1056291590.db2.gz AXWWDTTXJQCOLG-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO COc1cc(-c2ccc(C[NH+]3CCCC3)cc2)ccc1CC#N ZINC001240057994 1056292320 /nfs/dbraw/zinc/29/23/20/1056292320.db2.gz AMCZNFKWEJKTCE-UHFFFAOYSA-N 1 0 306.409 4.024 20 30 DIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2csc(C#N)c2)c1C ZINC000921691818 1056311921 /nfs/dbraw/zinc/31/19/21/1056311921.db2.gz NLSKBKYBMGOEMK-UHFFFAOYSA-N 1 0 309.438 4.316 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)cc1F ZINC000301594527 1056335186 /nfs/dbraw/zinc/33/51/86/1056335186.db2.gz RNGBFUWLGOFLDT-DNVCBOLYSA-N 1 0 323.415 4.020 20 30 DIEDRO CC[NH+](CC)CCSCC#Cc1ccc(C(F)(F)F)cc1 ZINC001613566476 1056389775 /nfs/dbraw/zinc/38/97/75/1056389775.db2.gz WTALEMYQVXMSRU-UHFFFAOYSA-N 1 0 315.404 4.132 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(C#N)c(F)c1 ZINC001240162269 1056360787 /nfs/dbraw/zinc/36/07/87/1056360787.db2.gz IFQJPNYWTMTPPQ-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO N#Cc1c(F)ccc(-c2cccc(C[NH+]3CCCCC3)c2)c1F ZINC001240174426 1056362284 /nfs/dbraw/zinc/36/22/84/1056362284.db2.gz LKLVHERLCWQSPD-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO N#Cc1nc2[nH]ccc2cc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001240174868 1056364308 /nfs/dbraw/zinc/36/43/08/1056364308.db2.gz RSBOGGNJXYDMJC-UHFFFAOYSA-N 1 0 316.408 4.039 20 30 DIEDRO C=CC[N@@H+](CCCc1cccc(OC)c1)Cc1cccc(C#N)c1 ZINC000303864510 1056431220 /nfs/dbraw/zinc/43/12/20/1056431220.db2.gz HAGWOOGQENSFJS-UHFFFAOYSA-N 1 0 320.436 4.188 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001584897674 1056440016 /nfs/dbraw/zinc/44/00/16/1056440016.db2.gz SVCKOXYYXKQBMS-WTQUMQLASA-N 1 0 308.510 4.236 20 30 DIEDRO COc1cccc2cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ccc21 ZINC001240356357 1056443609 /nfs/dbraw/zinc/44/36/09/1056443609.db2.gz QPYTYNSZQCWLKF-UHFFFAOYSA-N 1 0 314.388 4.074 20 30 DIEDRO CC1(C)CCc2cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ccc2O1 ZINC001240360733 1056445458 /nfs/dbraw/zinc/44/54/58/1056445458.db2.gz MXPCHQPKJNQHHN-UHFFFAOYSA-N 1 0 318.420 4.016 20 30 DIEDRO CC1(C)CCNc2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc21 ZINC001240361763 1056445856 /nfs/dbraw/zinc/44/58/56/1056445856.db2.gz VITWRHRGBXIOGY-UHFFFAOYSA-N 1 0 317.436 4.005 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2cnc3ccc(C#N)cc3n2)cc1 ZINC001240366257 1056451627 /nfs/dbraw/zinc/45/16/27/1056451627.db2.gz KZMNCPBXKAVYLW-UHFFFAOYSA-N 1 0 316.408 4.057 20 30 DIEDRO COc1ccc(C2([NH2+]Cc3csc(C#N)c3)CCCC2)cc1 ZINC000921746998 1056458661 /nfs/dbraw/zinc/45/86/61/1056458661.db2.gz QRLAYFIRZBJKPX-UHFFFAOYSA-N 1 0 312.438 4.187 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1 ZINC001240376145 1056460300 /nfs/dbraw/zinc/46/03/00/1056460300.db2.gz GHLMAUVNYWOUIZ-QOCHGBHMSA-N 1 0 308.425 4.366 20 30 DIEDRO COc1c(C#N)c(F)ccc1-c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001240378461 1056462286 /nfs/dbraw/zinc/46/22/86/1056462286.db2.gz WJIJPZNSKBCUDM-UHFFFAOYSA-N 1 0 312.388 4.261 20 30 DIEDRO Cc1nc(C2=CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC001240387142 1056468747 /nfs/dbraw/zinc/46/87/47/1056468747.db2.gz XCHVMJJDDVUTRP-UHFFFAOYSA-N 1 0 317.436 4.168 20 30 DIEDRO N#Cc1c(F)cc(C2=CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC001240388974 1056473298 /nfs/dbraw/zinc/47/32/98/1056473298.db2.gz ZBPDBMNLWRMTOX-UHFFFAOYSA-N 1 0 310.347 4.126 20 30 DIEDRO Cc1cccc(OCC[N@H+](C)CCCCC2(C#N)CCC2)c1 ZINC001615195696 1056473781 /nfs/dbraw/zinc/47/37/81/1056473781.db2.gz SVIFKJQJCPQOLK-UHFFFAOYSA-N 1 0 300.446 4.170 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2ncccc12 ZINC001615222454 1056478523 /nfs/dbraw/zinc/47/85/23/1056478523.db2.gz FUFNZADDRUEZQD-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC001615246432 1056482805 /nfs/dbraw/zinc/48/28/05/1056482805.db2.gz XPDKKJHIXRSBGN-UHFFFAOYSA-N 1 0 320.436 4.369 20 30 DIEDRO C#CC[N@H+](Cc1ccc2ccccc2n1)[C@H]1CCc2ccccc21 ZINC001615265639 1056485037 /nfs/dbraw/zinc/48/50/37/1056485037.db2.gz VBNFFSQMFWXTCG-QFIPXVFZSA-N 1 0 312.416 4.358 20 30 DIEDRO CC(C)C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC001615318720 1056491958 /nfs/dbraw/zinc/49/19/58/1056491958.db2.gz MAPUCKOERYURSU-UHFFFAOYSA-N 1 0 322.452 4.485 20 30 DIEDRO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC001615327214 1056494239 /nfs/dbraw/zinc/49/42/39/1056494239.db2.gz VTPKHJXIQITYCV-FQEVSTJZSA-N 1 0 323.436 4.137 20 30 DIEDRO C=CC[N@H+](CC#Cc1ccccc1Cl)CCc1ccccc1 ZINC001615366273 1056499283 /nfs/dbraw/zinc/49/92/83/1056499283.db2.gz FIRKFBSVHSJDHT-UHFFFAOYSA-N 1 0 309.840 4.422 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001615379481 1056500114 /nfs/dbraw/zinc/50/01/14/1056500114.db2.gz UCBXIFXSYALLCD-UHFFFAOYSA-N 1 0 313.489 4.431 20 30 DIEDRO Cc1cc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c(C)s1 ZINC001240431410 1056502712 /nfs/dbraw/zinc/50/27/12/1056502712.db2.gz VFHRCBQVGUNKAK-UHFFFAOYSA-N 1 0 312.438 4.034 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921818818 1056514841 /nfs/dbraw/zinc/51/48/41/1056514841.db2.gz YYOYHVFGXKFZIQ-APPDUMDISA-N 1 0 300.402 4.172 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)c2)s1 ZINC000765937262 1056515874 /nfs/dbraw/zinc/51/58/74/1056515874.db2.gz IIYDDMPKOVPGMM-WMLDXEAASA-N 1 0 321.449 4.459 20 30 DIEDRO C#CCCCCCCN1CCO[C@H](c2ccccc2Cl)C1 ZINC001615476558 1056516261 /nfs/dbraw/zinc/51/62/61/1056516261.db2.gz AXDZVHFPSSLJCG-SFHVURJKSA-N 1 0 305.849 4.297 20 30 DIEDRO N#CCc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1C(F)(F)F ZINC001240456253 1056519260 /nfs/dbraw/zinc/51/92/60/1056519260.db2.gz GDXOTEAJCSQFNX-UHFFFAOYSA-N 1 0 316.326 4.084 20 30 DIEDRO N#Cc1cc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000921824530 1056521064 /nfs/dbraw/zinc/52/10/64/1056521064.db2.gz OCQIBKPFUPIKPQ-JQWIXIFHSA-N 1 0 302.365 4.078 20 30 DIEDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001615520162 1056522705 /nfs/dbraw/zinc/52/27/05/1056522705.db2.gz QZNQBRALRFAAPM-MRXNPFEDSA-N 1 0 321.262 4.331 20 30 DIEDRO N#Cc1cnc(C2=CC[NH2+]CC2)c2cc(-c3ccccc3)sc21 ZINC001240465436 1056525253 /nfs/dbraw/zinc/52/52/53/1056525253.db2.gz YXXVIVAGJLHVRK-UHFFFAOYSA-N 1 0 317.417 4.212 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC001615510979 1056528154 /nfs/dbraw/zinc/52/81/54/1056528154.db2.gz ZRHGZNLBDUEFCV-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001615601352 1056542566 /nfs/dbraw/zinc/54/25/66/1056542566.db2.gz SKTSKRANYYXADV-OAHLLOKOSA-N 1 0 322.880 4.023 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccn3ccnc3c2)cc1 ZINC001240518606 1056548393 /nfs/dbraw/zinc/54/83/93/1056548393.db2.gz RDUSMLLSIAMKHA-LJQANCHMSA-N 1 0 303.409 4.324 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)o1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001615660940 1056555601 /nfs/dbraw/zinc/55/56/01/1056555601.db2.gz NKTYARRYNLPZEC-LJQANCHMSA-N 1 0 314.404 4.380 20 30 DIEDRO CCCCCCCCC[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC001615694177 1056564085 /nfs/dbraw/zinc/56/40/85/1056564085.db2.gz ICJKVJIKZJXXNO-OAHLLOKOSA-N 1 0 308.432 4.305 20 30 DIEDRO CCC[N@H+](CCCCC1(C#N)CCC1)Cc1ccccc1O ZINC001615686792 1056565627 /nfs/dbraw/zinc/56/56/27/1056565627.db2.gz VLLUTHYAKWSTTF-UHFFFAOYSA-N 1 0 300.446 4.468 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC001615789375 1056574320 /nfs/dbraw/zinc/57/43/20/1056574320.db2.gz LYNXJUUBVOGLMU-UHFFFAOYSA-N 1 0 310.363 4.340 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001615934879 1056600454 /nfs/dbraw/zinc/60/04/54/1056600454.db2.gz FAZOSGZVHRZEBS-DLBZAZTESA-N 1 0 322.493 4.207 20 30 DIEDRO C#CCC[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC001616060338 1056609597 /nfs/dbraw/zinc/60/95/97/1056609597.db2.gz UCZASBSWKDAREZ-UHFFFAOYSA-N 1 0 320.274 4.307 20 30 DIEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2(C#N)CCC2)cc1 ZINC000451046670 1056615278 /nfs/dbraw/zinc/61/52/78/1056615278.db2.gz PSHMCBHPCWDWLC-FQEVSTJZSA-N 1 0 320.436 4.262 20 30 DIEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2(C#N)CCC2)cc1 ZINC000451046671 1056616193 /nfs/dbraw/zinc/61/61/93/1056616193.db2.gz PSHMCBHPCWDWLC-HXUWFJFHSA-N 1 0 320.436 4.262 20 30 DIEDRO C[C@@H](Nc1cccc(F)c1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310171985 1056634208 /nfs/dbraw/zinc/63/42/08/1056634208.db2.gz UGNLMEUEHBUYMZ-NVXWUHKLSA-N 1 0 323.415 4.020 20 30 DIEDRO C[C@H](Nc1ccc(F)cc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310141682 1056634337 /nfs/dbraw/zinc/63/43/37/1056634337.db2.gz NDJLTBBFULWIJW-RDJZCZTQSA-N 1 0 323.415 4.020 20 30 DIEDRO N#Cc1ccnc(C[N@@H+](Cc2ccccc2F)C2CCCCC2)c1 ZINC001616425776 1056654306 /nfs/dbraw/zinc/65/43/06/1056654306.db2.gz DGRZGFXMHJYRIB-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO CCCCCCCCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001616505595 1056664982 /nfs/dbraw/zinc/66/49/82/1056664982.db2.gz IYSZCEWKRWYSTB-OAHLLOKOSA-N 1 0 309.416 4.372 20 30 DIEDRO COC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000112985749 1056670916 /nfs/dbraw/zinc/67/09/16/1056670916.db2.gz OPULZZSBCRFXQU-SFHVURJKSA-N 1 0 320.436 4.084 20 30 DIEDRO CC(C)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001616601601 1056684380 /nfs/dbraw/zinc/68/43/80/1056684380.db2.gz WEKKKARQDIPSGG-OAQYLSRUSA-N 1 0 320.436 4.082 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001616709195 1056704732 /nfs/dbraw/zinc/70/47/32/1056704732.db2.gz CDUDRCZWFIZYHO-RTBURBONSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001616700477 1056705058 /nfs/dbraw/zinc/70/50/58/1056705058.db2.gz UUHOQBWNYXRCEF-JKSUJKDBSA-N 1 0 310.482 4.063 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC001616700613 1056705573 /nfs/dbraw/zinc/70/55/73/1056705573.db2.gz XCJJERGLRKHJOD-HOTGVXAUSA-N 1 0 303.446 4.327 20 30 DIEDRO C=CC1(CC(=O)Nc2c[nH+]ccc2-n2ccnc2C)CCCCC1 ZINC001586305454 1056708291 /nfs/dbraw/zinc/70/82/91/1056708291.db2.gz SYGJWRXQIYKXJU-UHFFFAOYSA-N 1 0 324.428 4.041 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[Si](C)(C)c1ccccc1)c1ccccc1 ZINC001616739409 1056710311 /nfs/dbraw/zinc/71/03/11/1056710311.db2.gz YWEKZNNHLUGMAG-HXUWFJFHSA-N 1 0 309.529 4.438 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)CCC2 ZINC000921981306 1056712214 /nfs/dbraw/zinc/71/22/14/1056712214.db2.gz SRTHJEITERCKJV-MRXNPFEDSA-N 1 0 311.454 4.107 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2cc(C#N)ccn2)cc1 ZINC001616786945 1056716838 /nfs/dbraw/zinc/71/68/38/1056716838.db2.gz QEFJEPUQNOKYGA-UHFFFAOYSA-N 1 0 323.440 4.013 20 30 DIEDRO CC(C)(NCc1csc(C#N)c1)c1cccc(Cl)c1F ZINC000922009550 1056731151 /nfs/dbraw/zinc/73/11/51/1056731151.db2.gz UXBFCBRBAQIRGV-UHFFFAOYSA-N 1 0 308.809 4.437 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CC[C@@H]3CCCC3(F)F)CC2)cc1 ZINC001616899989 1056737092 /nfs/dbraw/zinc/73/70/92/1056737092.db2.gz XRCUPSGKAWMULW-SFHVURJKSA-N 1 0 316.395 4.473 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC001617056050 1056767364 /nfs/dbraw/zinc/76/73/64/1056767364.db2.gz XWKNYRPUZTUHQQ-MRXNPFEDSA-N 1 0 307.412 4.407 20 30 DIEDRO N#CC1(c2ccccc2-c2cccc3ncccc32)CC[NH2+]CC1 ZINC001240939556 1056768703 /nfs/dbraw/zinc/76/87/03/1056768703.db2.gz ZIDCYIPIYTUXDE-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO COc1ccccc1C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC001617104359 1056776797 /nfs/dbraw/zinc/77/67/97/1056776797.db2.gz TXSRADLSGZVHBL-OXJNMPFZSA-N 1 0 322.452 4.485 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000338794553 1056778206 /nfs/dbraw/zinc/77/82/06/1056778206.db2.gz PWJJLDMJDHBWFD-JCGIZDLHSA-N 1 0 301.430 4.113 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC1CCC(C#N)CC1)[C@@H]2C ZINC001617124013 1056779464 /nfs/dbraw/zinc/77/94/64/1056779464.db2.gz ZYLGCMRNVBZGIJ-NUWOQIAWSA-N 1 0 312.457 4.333 20 30 DIEDRO Cc1cccc([C@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)c1 ZINC001617147202 1056783518 /nfs/dbraw/zinc/78/35/18/1056783518.db2.gz PNCXQCHXRRKRLE-FQEVSTJZSA-N 1 0 320.436 4.125 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]CC1CCC(C#N)CC1 ZINC001168700653 1056783620 /nfs/dbraw/zinc/78/36/20/1056783620.db2.gz OPLQDAKRIUVVSX-HTWSVDAQSA-N 1 0 300.446 4.456 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)cs1 ZINC000922149879 1056852351 /nfs/dbraw/zinc/85/23/51/1056852351.db2.gz MMXZBAUSKDGRKM-INIZCTEOSA-N 1 0 304.365 4.065 20 30 DIEDRO COCC#CC[N@H+](C)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001617604042 1056856768 /nfs/dbraw/zinc/85/67/68/1056856768.db2.gz NEVXLNCGYVHDHK-SFHVURJKSA-N 1 0 305.849 4.153 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)[C@@H](C)[C@@H]1OC ZINC001617735694 1056875950 /nfs/dbraw/zinc/87/59/50/1056875950.db2.gz SEQQGTIPIPUVMX-DTDBQYNISA-N 1 0 300.446 4.049 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C12CCCC2 ZINC001617799169 1056885654 /nfs/dbraw/zinc/88/56/54/1056885654.db2.gz ITLKCATYOZJXQS-IAGOWNOFSA-N 1 0 318.848 4.039 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)C1(C)C ZINC001617807610 1056886830 /nfs/dbraw/zinc/88/68/30/1056886830.db2.gz OYJHAJJWAIVATN-SJORKVTESA-N 1 0 320.864 4.285 20 30 DIEDRO Cc1ccc2ncc(C[NH2+][C@H](C)c3ccc(C#N)cc3)cc2c1 ZINC001617881482 1056896397 /nfs/dbraw/zinc/89/63/97/1056896397.db2.gz JLXBBQMXXMWTTB-OAHLLOKOSA-N 1 0 301.393 4.266 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001618028884 1056915287 /nfs/dbraw/zinc/91/52/87/1056915287.db2.gz WMSYIVDDSXWPAL-GOSISDBHSA-N 1 0 314.429 4.358 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001618227522 1056936944 /nfs/dbraw/zinc/93/69/44/1056936944.db2.gz GVHJXNGCTPUIKZ-IAGOWNOFSA-N 1 0 324.509 4.288 20 30 DIEDRO C[C@H](C[N@H+](C)CCOCc1ccc(C#N)cc1)CC(C)(C)C ZINC001618273190 1056943752 /nfs/dbraw/zinc/94/37/52/1056943752.db2.gz HMUABNGXLUIFQM-INIZCTEOSA-N 1 0 302.462 4.079 20 30 DIEDRO Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000922190263 1056961786 /nfs/dbraw/zinc/96/17/86/1056961786.db2.gz IKYDJWRNZVAMOR-QGZVFWFLSA-N 1 0 311.816 4.082 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCOc1ccccc1C#N ZINC000315612791 1056967375 /nfs/dbraw/zinc/96/73/75/1056967375.db2.gz RXDOKFKFURFARJ-AWEZNQCLSA-N 1 0 314.816 4.283 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000080533719 1056976212 /nfs/dbraw/zinc/97/62/12/1056976212.db2.gz NILLJHMUZINSGT-RTWAWAEBSA-N 1 0 320.436 4.124 20 30 DIEDRO C=CCc1cc(C[NH2+]Cc2cc(C)cc(C)c2)cc(OC)c1O ZINC000657625744 1057001769 /nfs/dbraw/zinc/00/17/69/1057001769.db2.gz FMNXFXDRYLMYME-UHFFFAOYSA-N 1 0 311.425 4.036 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000657717560 1057009291 /nfs/dbraw/zinc/00/92/91/1057009291.db2.gz ZETNIYWSSMNYKC-UHFFFAOYSA-N 1 0 307.384 4.309 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccccc1 ZINC001168724509 1057015280 /nfs/dbraw/zinc/01/52/80/1057015280.db2.gz 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C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)NCCO3)cc1 ZINC001241494444 1057069024 /nfs/dbraw/zinc/06/90/24/1057069024.db2.gz IUESRJTUJRSXLY-FQEVSTJZSA-N 1 0 320.436 4.481 20 30 DIEDRO COc1ccc(CC#N)cc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241503757 1057073825 /nfs/dbraw/zinc/07/38/25/1057073825.db2.gz BEMKEYDPHDQCPU-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO N#Cc1cc2c(cccc2C2=CC[N@H+](Cc3ccccc3)CC2)[nH]1 ZINC001241503937 1057074096 /nfs/dbraw/zinc/07/40/96/1057074096.db2.gz JHHKPZSDWIKONV-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO Cc1cc(CC#N)ccc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241507178 1057076998 /nfs/dbraw/zinc/07/69/98/1057076998.db2.gz QYUQPFFTZOLBKN-UHFFFAOYSA-N 1 0 302.421 4.350 20 30 DIEDRO C/C(=N\O)c1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001241507830 1057078791 /nfs/dbraw/zinc/07/87/91/1057078791.db2.gz QKZGEZBUYDEZCA-LTGZKZEYSA-N 1 0 306.409 4.174 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(/C=N/O)c(F)c2)cc1 ZINC001241586397 1057099594 /nfs/dbraw/zinc/09/95/94/1057099594.db2.gz ZYCNIPLOUXAXMH-UDWIEESQSA-N 1 0 300.377 4.143 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccncc1 ZINC000766018796 1057109804 /nfs/dbraw/zinc/10/98/04/1057109804.db2.gz HKNOLUKADFPSEI-AUUYWEPGSA-N 1 0 309.413 4.008 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)c1ccncc1 ZINC000766019149 1057115389 /nfs/dbraw/zinc/11/53/89/1057115389.db2.gz KFQSDKPHSUVXIO-JXFKEZNVSA-N 1 0 318.424 4.235 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)c1ccncc1 ZINC000766019151 1057115554 /nfs/dbraw/zinc/11/55/54/1057115554.db2.gz KFQSDKPHSUVXIO-OXJNMPFZSA-N 1 0 318.424 4.235 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)CCc1ccc(OC)cc1)c1ccncc1 ZINC000766021888 1057122984 /nfs/dbraw/zinc/12/29/84/1057122984.db2.gz VHDQUQKNUXLEHM-OXJNMPFZSA-N 1 0 310.441 4.318 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3cc(F)cc(C#N)c3)c(C)c2)CC1 ZINC001241657063 1057124881 /nfs/dbraw/zinc/12/48/81/1057124881.db2.gz XJUFRUYBXXUBCB-UHFFFAOYSA-N 1 0 321.399 4.177 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cc(F)cc(C#N)c2)ccc1F ZINC001241660309 1057126751 /nfs/dbraw/zinc/12/67/51/1057126751.db2.gz MIXKOIQVNXRZJR-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO N#Cc1cc(F)cc(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)c1 ZINC001241660562 1057126881 /nfs/dbraw/zinc/12/68/81/1057126881.db2.gz VCXZBJLRBRQJAS-UHFFFAOYSA-N 1 0 316.326 4.238 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH+](CC=C)CC=C)cc1OC ZINC001205052394 1057156210 /nfs/dbraw/zinc/15/62/10/1057156210.db2.gz GCTWXCLWSKAOFQ-UHFFFAOYSA-N 1 0 307.821 4.087 20 30 DIEDRO C[C@@H](NCc1ccccc1C#N)c1ccc(-c2cccnc2)cc1 ZINC000163055895 1057157866 /nfs/dbraw/zinc/15/78/66/1057157866.db2.gz UFCQGXVANNVLRQ-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2F)ccc1OC ZINC000057959090 1057160162 /nfs/dbraw/zinc/16/01/62/1057160162.db2.gz RQBRXIMWRDYBKV-UHFFFAOYSA-N 1 0 315.388 4.079 20 30 DIEDRO C=CC[C@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000625703114 1057192269 /nfs/dbraw/zinc/19/22/69/1057192269.db2.gz QJMURWLGFAJSDU-KRWDZBQOSA-N 1 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/nfs/dbraw/zinc/26/75/31/1057267531.db2.gz FYJAOKRRZNXJHT-UHFFFAOYSA-N 1 0 317.436 4.095 20 30 DIEDRO N#Cc1cc(-c2cccc(Cl)c2)ccc1OC1CC[NH2+]CC1 ZINC001242146795 1057279498 /nfs/dbraw/zinc/27/94/98/1057279498.db2.gz ROPATRONWWUAGK-UHFFFAOYSA-N 1 0 312.800 4.009 20 30 DIEDRO C#CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)C1CCCC1 ZINC000766089573 1057309685 /nfs/dbraw/zinc/30/96/85/1057309685.db2.gz BNFNKQOTYDNVAW-UHFFFAOYSA-N 1 0 322.330 4.224 20 30 DIEDRO C#Cc1ccc(-c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001242291911 1057324207 /nfs/dbraw/zinc/32/42/07/1057324207.db2.gz FXSAGOKXEOXGOU-UHFFFAOYSA-N 1 0 324.427 4.288 20 30 DIEDRO C#Cc1ccc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)cc1 ZINC001242295317 1057324887 /nfs/dbraw/zinc/32/48/87/1057324887.db2.gz VOEASHMNACIQGH-NHCUHLMSSA-N 1 0 305.421 4.121 20 30 DIEDRO CC[NH+]1CCC(c2ccc(-c3cccc(OC)c3C#N)cc2)CC1 ZINC001242299973 1057326082 /nfs/dbraw/zinc/32/60/82/1057326082.db2.gz CASDLICBWDBLCB-UHFFFAOYSA-N 1 0 320.436 4.433 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cccc(OC)c2C#N)nc1 ZINC001242299432 1057326117 /nfs/dbraw/zinc/32/61/17/1057326117.db2.gz LASZROPCHABXMV-LJQANCHMSA-N 1 0 321.424 4.176 20 30 DIEDRO COc1cccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1C#N ZINC001242299738 1057326407 /nfs/dbraw/zinc/32/64/07/1057326407.db2.gz WETVWIUYUPWSJO-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000766111753 1057346467 /nfs/dbraw/zinc/34/64/67/1057346467.db2.gz ZCVSTXSHIGQGQA-QZTJIDSGSA-N 1 0 308.510 4.070 20 30 DIEDRO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000245907294 1057348681 /nfs/dbraw/zinc/34/86/81/1057348681.db2.gz OUOUPSYHTCCGDA-CDXJDZJCSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 ZINC000174068593 1057349549 /nfs/dbraw/zinc/34/95/49/1057349549.db2.gz JZIQXUZYHLYFDA-OAHLLOKOSA-N 1 0 303.409 4.323 20 30 DIEDRO Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(C#N)cc3)c21 ZINC000174054862 1057349864 /nfs/dbraw/zinc/34/98/64/1057349864.db2.gz TXPIUBADHCHHLE-HNNXBMFYSA-N 1 0 303.409 4.241 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000174430209 1057360338 /nfs/dbraw/zinc/36/03/38/1057360338.db2.gz PXGHQWSKAIPODM-GFCCVEGCSA-N 1 0 320.314 4.308 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c1 ZINC000174593270 1057366057 /nfs/dbraw/zinc/36/60/57/1057366057.db2.gz ZUPKACWXLFTOAK-UHFFFAOYSA-N 1 0 309.800 4.025 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000174570328 1057366510 /nfs/dbraw/zinc/36/65/10/1057366510.db2.gz ILLBNGHLZGPWHK-ZTFRIQLXSA-N 1 0 300.789 4.292 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(C#N)cc1C ZINC001242475107 1057377356 /nfs/dbraw/zinc/37/73/56/1057377356.db2.gz HUVJUCAZQAYUKO-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO Cc1cc(C#N)cc(-c2ccc(C[N@H+]3CCCC[C@H]3C)cn2)c1 ZINC001242476746 1057377378 /nfs/dbraw/zinc/37/73/78/1057377378.db2.gz KXOOMVZPJGMVJX-MRXNPFEDSA-N 1 0 305.425 4.303 20 30 DIEDRO Cc1cc(C#N)cc(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cn2)c1 ZINC001242476744 1057377561 /nfs/dbraw/zinc/37/75/61/1057377561.db2.gz KXOOMVZPJGMVJX-INIZCTEOSA-N 1 0 305.425 4.303 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cc(C)cc(C#N)c2)ccc1OC ZINC001242480824 1057379110 /nfs/dbraw/zinc/37/91/10/1057379110.db2.gz SUERMPSFJSGULC-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO Cc1cc(C#N)cc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)c1 ZINC001242479879 1057379434 /nfs/dbraw/zinc/37/94/34/1057379434.db2.gz OMCZTBMRCGTLAE-NHCUHLMSSA-N 1 0 320.436 4.320 20 30 DIEDRO Cc1cc(C#N)cc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)c1 ZINC001242481103 1057379461 /nfs/dbraw/zinc/37/94/61/1057379461.db2.gz WSSUSTDAIJBBLP-UHFFFAOYSA-N 1 0 303.409 4.119 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(-c2cc(Cl)cc(C#N)c2)nc1 ZINC001242569035 1057408584 /nfs/dbraw/zinc/40/85/84/1057408584.db2.gz IDLYGDALIVOWRB-GOSISDBHSA-N 1 0 311.816 4.430 20 30 DIEDRO C=C(C[NH2+][C@H](CCOC)Cc1cccc(F)c1)c1ccccc1 ZINC000675783706 1057414078 /nfs/dbraw/zinc/41/40/78/1057414078.db2.gz QZAUUYSTNOJYLD-HXUWFJFHSA-N 1 0 313.416 4.076 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2ccc(F)cc2C#N)c1F ZINC001242583854 1057415045 /nfs/dbraw/zinc/41/50/45/1057415045.db2.gz JWJJOEWFJZCAAO-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(C)cc1C#N ZINC001242594878 1057417931 /nfs/dbraw/zinc/41/79/31/1057417931.db2.gz WHJPZKIJZLRJSD-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO Cc1ccc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])c(C#N)c1 ZINC001242594503 1057418021 /nfs/dbraw/zinc/41/80/21/1057418021.db2.gz MHRIYHYWGFBZMM-SFTDATJTSA-N 1 0 320.436 4.320 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000675933988 1057435875 /nfs/dbraw/zinc/43/58/75/1057435875.db2.gz ZRBMPLUIVOSNGV-RISCZKNCSA-N 1 0 302.418 4.491 20 30 DIEDRO N#Cc1c(C(F)(F)F)ccnc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242688433 1057446985 /nfs/dbraw/zinc/44/69/85/1057446985.db2.gz PCEBBTIEZQFDSC-CYBMUJFWSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1c(C(F)(F)F)ccnc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242688434 1057447135 /nfs/dbraw/zinc/44/71/35/1057447135.db2.gz PCEBBTIEZQFDSC-ZDUSSCGKSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1ccc(C(F)(F)F)nc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242686292 1057447168 /nfs/dbraw/zinc/44/71/68/1057447168.db2.gz CFKFFVNQFMURBD-AWEZNQCLSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1nc(C2=CC[C@@H]([NH+]3CCCC3)CC2)ccc1C(F)(F)F ZINC001242689293 1057448066 /nfs/dbraw/zinc/44/80/66/1057448066.db2.gz YSJUZSINZALMSD-CYBMUJFWSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1ccc2cc(C3=CC[C@@H]([NH+]4CCCC4)CC3)ccc2n1 ZINC001242694825 1057450607 /nfs/dbraw/zinc/45/06/07/1057450607.db2.gz RGXISVNWYZDNIL-LJQANCHMSA-N 1 0 303.409 4.138 20 30 DIEDRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccccc3C#N)cc12 ZINC001242716523 1057457749 /nfs/dbraw/zinc/45/77/49/1057457749.db2.gz ZEZHZXLXAZYJPY-GOSISDBHSA-N 1 0 315.420 4.343 20 30 DIEDRO N#Cc1ccccc1-c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001242717430 1057457766 /nfs/dbraw/zinc/45/77/66/1057457766.db2.gz XEPWFAZZCPXMJB-WOJBJXKFSA-N 1 0 306.409 4.012 20 30 DIEDRO COc1ccc(-c2ccccc2C#N)c(C[NH+]2CCCCC2)c1 ZINC001242716614 1057457923 /nfs/dbraw/zinc/45/79/23/1057457923.db2.gz DMFKEFIHFGJLGY-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO COc1ccc(C2=CC(=O)C[C@@H](C)C2)cc1C[NH+]1CCCCC1 ZINC001242742084 1057465713 /nfs/dbraw/zinc/46/57/13/1057465713.db2.gz IWPAJLJTUGLSTQ-HNNXBMFYSA-N 1 0 313.441 4.064 20 30 DIEDRO Cc1cc(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)ccc1C#N ZINC001242769415 1057469258 /nfs/dbraw/zinc/46/92/58/1057469258.db2.gz SGVBXMPWKSJZOA-UHFFFAOYSA-N 1 0 312.363 4.408 20 30 DIEDRO COc1ccc(-c2ccc(C#N)c(C)c2)cc1C[NH+]1CCCC1 ZINC001242769396 1057469514 /nfs/dbraw/zinc/46/95/14/1057469514.db2.gz RKAWQSNNKZUCCC-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)c1ccccc1 ZINC000676424450 1057470496 /nfs/dbraw/zinc/47/04/96/1057470496.db2.gz NFADBEHZBKRLSQ-HXUWFJFHSA-N 1 0 318.424 4.064 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@]2(C)CCOc3ccccc32)cc1 ZINC000923026775 1057521462 /nfs/dbraw/zinc/52/14/62/1057521462.db2.gz XJDGTBMSWXTCCL-OAQYLSRUSA-N 1 0 320.436 4.275 20 30 DIEDRO C[NH2+]Cc1cccc(-c2ccc(CC#N)c(C(F)(F)F)c2)c1 ZINC001242997496 1057540254 /nfs/dbraw/zinc/54/02/54/1057540254.db2.gz FOQYQKZNKTVUGE-UHFFFAOYSA-N 1 0 304.315 4.158 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429436879 1057549193 /nfs/dbraw/zinc/54/91/93/1057549193.db2.gz XIVNWSLPKILOLW-GBESFXJTSA-N 1 0 305.437 4.016 20 30 DIEDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000611153431 1057584241 /nfs/dbraw/zinc/58/42/41/1057584241.db2.gz OCDOEZBJXUZIGJ-FQEVSTJZSA-N 1 0 305.425 4.414 20 30 DIEDRO COc1ccc2oc(C[NH2+][C@@H](C)c3cccc(C#N)c3)cc2c1 ZINC000611198824 1057585443 /nfs/dbraw/zinc/58/54/43/1057585443.db2.gz YDKHZRZALVFJAC-ZDUSSCGKSA-N 1 0 306.365 4.164 20 30 DIEDRO C[N@H+](C[C@H]1CCCO[C@H]1c1ccccc1)CC(C)(C)CCC#N ZINC000611266731 1057587931 /nfs/dbraw/zinc/58/79/31/1057587931.db2.gz FSLWAPWPZUIJLJ-MOPGFXCFSA-N 1 0 314.473 4.416 20 30 DIEDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C#N)c1F ZINC000611371266 1057593078 /nfs/dbraw/zinc/59/30/78/1057593078.db2.gz XWSNUQKPGKDOTD-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)ccn1 ZINC000611382714 1057593702 /nfs/dbraw/zinc/59/37/02/1057593702.db2.gz NETAPCZHNWKALW-LJQANCHMSA-N 1 0 309.388 4.113 20 30 DIEDRO C[C@H]([NH2+]CCCOc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000611386670 1057594187 /nfs/dbraw/zinc/59/41/87/1057594187.db2.gz RJCBENKZGUPQRQ-AWEZNQCLSA-N 1 0 314.816 4.331 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cccc(C#N)c1 ZINC000611388665 1057594199 /nfs/dbraw/zinc/59/41/99/1057594199.db2.gz RHCQEZIRAMAARL-OAHLLOKOSA-N 1 0 303.409 4.210 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cc(F)cc(F)c1 ZINC000611392114 1057595019 /nfs/dbraw/zinc/59/50/19/1057595019.db2.gz GPGWKEXDFIRUOV-LJQANCHMSA-N 1 0 312.363 4.046 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000611392835 1057595148 /nfs/dbraw/zinc/59/51/48/1057595148.db2.gz OTNLYJLUZCRPGK-PXNSSMCTSA-N 1 0 318.420 4.092 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CCCO)c1ccccc1 ZINC000611393245 1057595527 /nfs/dbraw/zinc/59/55/27/1057595527.db2.gz QYWSFNWIFAGAEZ-LEWJYISDSA-N 1 0 320.436 4.039 20 30 DIEDRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393046 1057595671 /nfs/dbraw/zinc/59/56/71/1057595671.db2.gz FCJUFVZPPYEHPM-LZLYRXPVSA-N 1 0 300.471 4.199 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](CCCO)c1ccccc1 ZINC000611393247 1057595737 /nfs/dbraw/zinc/59/57/37/1057595737.db2.gz QYWSFNWIFAGAEZ-RTWAWAEBSA-N 1 0 320.436 4.039 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000611395482 1057596051 /nfs/dbraw/zinc/59/60/51/1057596051.db2.gz DEMRTARPNGDOOH-LJQANCHMSA-N 1 0 306.409 4.198 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000611394231 1057596366 /nfs/dbraw/zinc/59/63/66/1057596366.db2.gz XIDZLPCDIRDGQJ-MOPGFXCFSA-N 1 0 322.383 4.188 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000611394600 1057596546 /nfs/dbraw/zinc/59/65/46/1057596546.db2.gz SABIGALECGGGMP-UYAOXDASSA-N 1 0 324.468 4.407 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1[N+](=O)[O-] ZINC000611395302 1057596698 /nfs/dbraw/zinc/59/66/98/1057596698.db2.gz KGPZNYVSXHRSLZ-UGSOOPFHSA-N 1 0 321.380 4.195 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000611394756 1057597029 /nfs/dbraw/zinc/59/70/29/1057597029.db2.gz ZXRJTVFYXNBWIN-IEBWSBKVSA-N 1 0 310.441 4.017 20 30 DIEDRO CC(C)OC1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611394644 1057597458 /nfs/dbraw/zinc/59/74/58/1057597458.db2.gz UPHZOYNYARCPKV-QLOJAFMTSA-N 1 0 312.457 4.261 20 30 DIEDRO Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc2n1 ZINC000611396096 1057597510 /nfs/dbraw/zinc/59/75/10/1057597510.db2.gz QQNIXJQWDPZYDF-UHFFFAOYSA-N 1 0 313.404 4.194 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1c(F)cccc1F ZINC000611390897 1057598140 /nfs/dbraw/zinc/59/81/40/1057598140.db2.gz JJFATDVDDCELOB-LJQANCHMSA-N 1 0 312.363 4.046 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391192 1057598293 /nfs/dbraw/zinc/59/82/93/1057598293.db2.gz ZFJJLOVOXFZSLB-YSGRDPCXSA-N 1 0 312.457 4.121 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611434124 1057599093 /nfs/dbraw/zinc/59/90/93/1057599093.db2.gz PADNPMBSGUBUBL-UUWFMWQGSA-N 1 0 311.816 4.094 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1(c2cccc(F)c2)CC1 ZINC000611474626 1057602457 /nfs/dbraw/zinc/60/24/57/1057602457.db2.gz RZDACORFECMFBS-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO C[C@H]([N@H+](C)Cc1ccc(C#N)cc1Br)C(C)(C)C ZINC000611500389 1057604100 /nfs/dbraw/zinc/60/41/00/1057604100.db2.gz LBCNKDKIUHHQOG-NSHDSACASA-N 1 0 309.251 4.187 20 30 DIEDRO C=CCOc1ccc(-c2ccccc2C[NH+](CC)CC)nc1C#N ZINC001243334884 1057649904 /nfs/dbraw/zinc/64/99/04/1057649904.db2.gz HYVOLAUNNYKVBM-UHFFFAOYSA-N 1 0 321.424 4.027 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1cc(C2(C#N)CC2)ccn1 ZINC001243334825 1057650069 /nfs/dbraw/zinc/65/00/69/1057650069.db2.gz GSKCZTOJJMYYJI-UHFFFAOYSA-N 1 0 305.425 4.146 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1c(C)nc(OC)c(C#N)c1C ZINC001243339988 1057652207 /nfs/dbraw/zinc/65/22/07/1057652207.db2.gz ZOXLNSKBBDZZKH-UHFFFAOYSA-N 1 0 323.440 4.088 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2nc(C)cs2)c(O)c1 ZINC000727653005 1057663185 /nfs/dbraw/zinc/66/31/85/1057663185.db2.gz ABPFVBSOQQOADE-SGPNVBEDSA-N 1 0 317.458 4.183 20 30 DIEDRO CCOc1cc(C)ccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001243407794 1057673378 /nfs/dbraw/zinc/67/33/78/1057673378.db2.gz QCRCHIJGTGHZJN-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000730109626 1057703338 /nfs/dbraw/zinc/70/33/38/1057703338.db2.gz UQRFGPAWKCSELN-MGPUTAFESA-N 1 0 306.409 4.063 20 30 DIEDRO N#CCOc1ccccc1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001243587466 1057725377 /nfs/dbraw/zinc/72/53/77/1057725377.db2.gz VFOTVSPUGNEFJM-UHFFFAOYSA-N 1 0 324.449 4.100 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C)c(-c2ccc(OCC#N)cc2)c1 ZINC001243591616 1057726769 /nfs/dbraw/zinc/72/67/69/1057726769.db2.gz NOPQSSTUYQJCHW-UHFFFAOYSA-N 1 0 308.425 4.406 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(OCC#N)cc1 ZINC001243591684 1057726874 /nfs/dbraw/zinc/72/68/74/1057726874.db2.gz QGEMICJZZFMENJ-UHFFFAOYSA-N 1 0 324.424 4.106 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc2ccccc2c1 ZINC000731210514 1057737318 /nfs/dbraw/zinc/73/73/18/1057737318.db2.gz OXASNFXECIUYPH-UHFFFAOYSA-N 1 0 316.404 4.374 20 30 DIEDRO CC(C)C[N@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731212115 1057738068 /nfs/dbraw/zinc/73/80/68/1057738068.db2.gz UEENMWFJRDWEII-UHFFFAOYSA-N 1 0 308.425 4.247 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000731212820 1057738097 /nfs/dbraw/zinc/73/80/97/1057738097.db2.gz UKOSNIFZCIFQSS-FQEVSTJZSA-N 1 0 320.436 4.359 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000731211619 1057738215 /nfs/dbraw/zinc/73/82/15/1057738215.db2.gz QZQFDZDNGKUVOV-HXUWFJFHSA-N 1 0 320.436 4.186 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(Cl)c1 ZINC000731211577 1057738314 /nfs/dbraw/zinc/73/83/14/1057738314.db2.gz PAOJXDGPVDHYDS-UHFFFAOYSA-N 1 0 314.816 4.264 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(CC#N)cc3F)cc2)CC1 ZINC001243652197 1057744297 /nfs/dbraw/zinc/74/42/97/1057744297.db2.gz NBEARLQQMQNRRT-UHFFFAOYSA-N 1 0 308.400 4.368 20 30 DIEDRO C/C(=N\O)c1ccc(-c2ccc(C3CC[NH+](C)CC3)cc2)cc1 ZINC001243654968 1057745087 /nfs/dbraw/zinc/74/50/87/1057745087.db2.gz PBTYVVARYJJFDJ-RCCKNPSSSA-N 1 0 308.425 4.361 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(OC)cc2C#N)ccc1F ZINC001243732362 1057765235 /nfs/dbraw/zinc/76/52/35/1057765235.db2.gz QAMRHWBPCPVBNG-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2c3ccccc3C[C@H]2C)cc1 ZINC000732232635 1057771669 /nfs/dbraw/zinc/77/16/69/1057771669.db2.gz NPXYIFCMMAWDFS-STXHMFSFSA-N 1 0 306.409 4.001 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@H+]2Cc3ccccc3[C@H](C)C2)c1O ZINC000732467414 1057775958 /nfs/dbraw/zinc/77/59/58/1057775958.db2.gz UZAIEDHWWMZGMC-OAHLLOKOSA-N 1 0 323.436 4.249 20 30 DIEDRO Cc1cc(F)cc(C)c1-c1ccc(OC2CC[NH2+]CC2)c(C#N)c1 ZINC001243925011 1057809562 /nfs/dbraw/zinc/80/95/62/1057809562.db2.gz GYPFWBAWMZRTHQ-UHFFFAOYSA-N 1 0 324.399 4.112 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2csc3ccccc23)cc1 ZINC000733324730 1057812767 /nfs/dbraw/zinc/81/27/67/1057812767.db2.gz WRZJYYIQNRREPT-UHFFFAOYSA-N 1 0 307.418 4.203 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1 ZINC000733324659 1057812892 /nfs/dbraw/zinc/81/28/92/1057812892.db2.gz QWLRTZXDNWHDRC-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CC2(Sc3ccccc3)CC2)cc1 ZINC000733327709 1057814074 /nfs/dbraw/zinc/81/40/74/1057814074.db2.gz CZAHSXIJGDLWAX-UHFFFAOYSA-N 1 0 323.461 4.113 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(F)nc(F)c2)cc1 ZINC001243973108 1057824998 /nfs/dbraw/zinc/82/49/98/1057824998.db2.gz DKMGGWGQXJEFKX-MRXNPFEDSA-N 1 0 300.352 4.350 20 30 DIEDRO Cc1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)cc1C#N ZINC001244494126 1057974968 /nfs/dbraw/zinc/97/49/68/1057974968.db2.gz PBEOGTCYILEEEP-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cc(C#N)ccc2F)c1 ZINC001244558155 1057995668 /nfs/dbraw/zinc/99/56/68/1057995668.db2.gz JKMPRRSXBVUIBH-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2ccc(OC)c(C#N)c2)c1F ZINC001244711041 1058033475 /nfs/dbraw/zinc/03/34/75/1058033475.db2.gz SQEXXWAPGMQDIA-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1c1ccc(-c2cccc(Cl)c2C#N)nc1 ZINC001244725423 1058035798 /nfs/dbraw/zinc/03/57/98/1058035798.db2.gz UULQGVBSNVMUHX-SFHVURJKSA-N 1 0 311.816 4.430 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1ccc([C@@H]2CCC[NH2+]2)c(F)c1 ZINC001244734241 1058036602 /nfs/dbraw/zinc/03/66/02/1058036602.db2.gz PUSFYFOGGBYEKS-KRWDZBQOSA-N 1 0 300.764 4.442 20 30 DIEDRO Cc1c(C#N)cccc1-c1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001244813986 1058051184 /nfs/dbraw/zinc/05/11/84/1058051184.db2.gz JTTOSGKEOGMIKT-OAHLLOKOSA-N 1 0 305.425 4.303 20 30 DIEDRO Cc1c(C#N)cccc1-c1ccc2c(c1)CCC21CC[NH2+]CC1 ZINC001244814604 1058051735 /nfs/dbraw/zinc/05/17/35/1058051735.db2.gz CWJAVNZLFGQRIM-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO CCc1cc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)ccc1C#N ZINC001244953540 1058079728 /nfs/dbraw/zinc/07/97/28/1058079728.db2.gz XUQJYHVRCIRFDR-UHFFFAOYSA-N 1 0 314.432 4.436 20 30 DIEDRO COc1ccc(-c2cccc(C#N)c2F)c(C[NH+]2CCCCC2)c1 ZINC001245073061 1058106946 /nfs/dbraw/zinc/10/69/46/1058106946.db2.gz ZCEGPPLYPWLPHG-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#CC1(c2ccccc2-c2cc(F)ccc2Cl)CC[NH2+]CC1 ZINC001245136088 1058119412 /nfs/dbraw/zinc/11/94/12/1058119412.db2.gz DHBMXIIYBZDXPR-UHFFFAOYSA-N 1 0 314.791 4.291 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2ccc3[nH]c(C#N)cc3c2)cc1 ZINC001245337692 1058146225 /nfs/dbraw/zinc/14/62/25/1058146225.db2.gz AHUQHXJYOQXDQZ-UHFFFAOYSA-N 1 0 319.408 4.037 20 30 DIEDRO N#CCc1cc2ccccc2nc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245348390 1058149578 /nfs/dbraw/zinc/14/95/78/1058149578.db2.gz MZYHLIPOMKXBAL-LJQANCHMSA-N 1 0 313.404 4.392 20 30 DIEDRO N#Cc1c2ccccc2cnc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245523750 1058197139 /nfs/dbraw/zinc/19/71/39/1058197139.db2.gz KYAKFOGYMJHPRJ-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO N#Cc1ccc2ccnc(-c3ccc(C4CC[NH2+]CC4)cc3)c2c1 ZINC001245522814 1058197672 /nfs/dbraw/zinc/19/76/72/1058197672.db2.gz AMLIUMVYXYDNFS-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO Cc1nc(-c2ccc(C3CC[NH2+]CC3)cc2)c(C#N)c(C)c1C ZINC001245523814 1058198043 /nfs/dbraw/zinc/19/80/43/1058198043.db2.gz GAGJUCICCLCCEW-UHFFFAOYSA-N 1 0 305.425 4.013 20 30 DIEDRO N#Cc1nc2c(cccc2-c2ccc(C3CC[NH2+]CC3)cc2)s1 ZINC001245527217 1058205426 /nfs/dbraw/zinc/20/54/26/1058205426.db2.gz QXQXDIVEHFUVGJ-UHFFFAOYSA-N 1 0 319.433 4.302 20 30 DIEDRO Cc1ccc(C#N)c(-c2ccc(SC3CC[NH2+]CC3)cc2)c1 ZINC001245605979 1058283834 /nfs/dbraw/zinc/28/38/34/1058283834.db2.gz PRVVCSHCVBWLIR-UHFFFAOYSA-N 1 0 308.450 4.378 20 30 DIEDRO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCCC1 ZINC001556397224 1058586814 /nfs/dbraw/zinc/58/68/14/1058586814.db2.gz LIQPABPHXGLSFC-GOSISDBHSA-N 1 0 318.505 4.036 20 30 DIEDRO COc1cc(CCC#N)c(-c2ccc(C(C)(C)[NH3+])cc2)cc1OC ZINC001245914056 1058616087 /nfs/dbraw/zinc/61/60/87/1058616087.db2.gz SNLSZYJUCRRXKQ-UHFFFAOYSA-N 1 0 324.424 4.021 20 30 DIEDRO CCCCCCCC[C@H](O)CNc1cc([C@@H]2CCCC[NH2+]2)no1 ZINC001245959654 1058648044 /nfs/dbraw/zinc/64/80/44/1058648044.db2.gz VNSWIMWFXTVZNQ-HOTGVXAUSA-N 1 0 323.481 4.013 20 30 DIEDRO CCCCCCCC[C@H](O)CNc1cc([C@H]2CCCC[NH2+]2)no1 ZINC001245959656 1058649317 /nfs/dbraw/zinc/64/93/17/1058649317.db2.gz VNSWIMWFXTVZNQ-JKSUJKDBSA-N 1 0 323.481 4.013 20 30 DIEDRO CCCCCCCCCC[C@@H](O)CNc1ccccc1C[NH3+] ZINC001245966973 1058652610 /nfs/dbraw/zinc/65/26/10/1058652610.db2.gz PVYMXFVSHBDWQS-GOSISDBHSA-N 1 0 306.494 4.449 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(N)cc1 ZINC001245987155 1058652630 /nfs/dbraw/zinc/65/26/30/1058652630.db2.gz JOHWRLWMKHKCDE-IBGZPJMESA-N 1 0 306.494 4.250 20 30 DIEDRO CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1scnc1C ZINC001278434997 1058732363 /nfs/dbraw/zinc/73/23/63/1058732363.db2.gz AMBFLHGBYAUKAO-CALCHBBNSA-N 1 0 321.534 4.071 20 30 DIEDRO CCCCCCCCCCC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001521038255 1058734979 /nfs/dbraw/zinc/73/49/79/1058734979.db2.gz LIECDVGYODJALJ-ZWKOTPCHSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[C@H](C)N[C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246196375 1058737567 /nfs/dbraw/zinc/73/75/67/1058737567.db2.gz WKQGXKAHDFPCLV-DZGCQCFKSA-N 1 0 308.432 4.256 20 30 DIEDRO CCCCCCC[C@@H](C)N[C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246196377 1058739285 /nfs/dbraw/zinc/73/92/85/1058739285.db2.gz WKQGXKAHDFPCLV-UKRRQHHQSA-N 1 0 308.432 4.256 20 30 DIEDRO CCCCCCCC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001529585028 1058767985 /nfs/dbraw/zinc/76/79/85/1058767985.db2.gz IWUYZFPZLWLVBS-UHFFFAOYSA-N 1 0 308.510 4.070 20 30 DIEDRO C=CCCC[C@@H](NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC001558133828 1058842854 /nfs/dbraw/zinc/84/28/54/1058842854.db2.gz VVIRQIQBNCRRQD-MSOLQXFVSA-N 1 0 314.473 4.073 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001558349533 1058861725 /nfs/dbraw/zinc/86/17/25/1058861725.db2.gz SBNYAOHSFJCIFT-CEXWTWQISA-N 1 0 322.537 4.458 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@@H]3CNc4ccccc43)CC2)cc1 ZINC001246358240 1058869158 /nfs/dbraw/zinc/86/91/58/1058869158.db2.gz ZFIFWTLPAYUVPR-WIXQSORDSA-N 1 0 317.436 4.341 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2 ZINC001246390871 1058897910 /nfs/dbraw/zinc/89/79/10/1058897910.db2.gz PYRONJNJZRHSMH-HAGHYFMRSA-N 1 0 324.553 4.405 20 30 DIEDRO C=C(CC(C)C)C(=O)N[C@@H](CC[NH+](CC)CC)c1ccccc1 ZINC001558810543 1058914750 /nfs/dbraw/zinc/91/47/50/1058914750.db2.gz MBDXTYVRLQDESN-IBGZPJMESA-N 1 0 316.489 4.178 20 30 DIEDRO C=C[C@@H](N[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246485906 1058962698 /nfs/dbraw/zinc/96/26/98/1058962698.db2.gz BSUZRYPUCNPNIJ-CEWLAPEOSA-N 1 0 324.443 4.444 20 30 DIEDRO CC1CC[NH+](C2CCC(Nc3cc(F)ccc3C#N)CC2)CC1 ZINC001559148219 1059036824 /nfs/dbraw/zinc/03/68/24/1059036824.db2.gz XTEXMDMCTQMELB-UHFFFAOYSA-N 1 0 315.436 4.152 20 30 DIEDRO CC(C)[C@@H]1C[C@@H](N(CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769148 1059070954 /nfs/dbraw/zinc/07/09/54/1059070954.db2.gz IMKDGJWBGYIOAR-OALUTQOASA-N 1 0 305.510 4.092 20 30 DIEDRO C=CCC[C@H](C)N(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246952379 1059195391 /nfs/dbraw/zinc/19/53/91/1059195391.db2.gz LIZUQVMMXUKCRV-HNNXBMFYSA-N 1 0 306.881 4.249 20 30 DIEDRO C=CCOCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC001559490051 1059266276 /nfs/dbraw/zinc/26/62/76/1059266276.db2.gz NTLISDQQPCYISH-UHFFFAOYSA-N 1 0 302.245 4.406 20 30 DIEDRO C=CC[N@@H+](CCCOCc1ccccc1)Cc1ccccc1F ZINC001559495694 1059273467 /nfs/dbraw/zinc/27/34/67/1059273467.db2.gz PBADUNBAOYPNOV-UHFFFAOYSA-N 1 0 313.416 4.421 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001559494235 1059274705 /nfs/dbraw/zinc/27/47/05/1059274705.db2.gz ZVGYKVNSQGLSPR-FAFZWHIHSA-N 1 0 300.421 4.163 20 30 DIEDRO COc1cccc(C[N@@H+](Cc2ccc(CC#N)cc2)CC(C)C)c1 ZINC001559501104 1059282906 /nfs/dbraw/zinc/28/29/06/1059282906.db2.gz CFJJXWBXSOHYHM-UHFFFAOYSA-N 1 0 322.452 4.419 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC001559517189 1059312115 /nfs/dbraw/zinc/31/21/15/1059312115.db2.gz MGAPKLSDGHBPQH-UHFFFAOYSA-N 1 0 312.498 4.290 20 30 DIEDRO C#CC[N@@H+](CCOc1ccc(F)cc1Cl)C1CCCCC1 ZINC001559514266 1059312291 /nfs/dbraw/zinc/31/22/91/1059312291.db2.gz XIFSUYLLZSAIRX-UHFFFAOYSA-N 1 0 309.812 4.126 20 30 DIEDRO C[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1-c1ccccc1 ZINC001559513999 1059312756 /nfs/dbraw/zinc/31/27/56/1059312756.db2.gz NZDNFUAJIMUUAE-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C=CC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)CC1CCCCC1 ZINC001559538001 1059341581 /nfs/dbraw/zinc/34/15/81/1059341581.db2.gz LVSJJTNFSAGHMK-UHFFFAOYSA-N 1 0 320.521 4.234 20 30 DIEDRO CC(C)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001559542424 1059344607 /nfs/dbraw/zinc/34/46/07/1059344607.db2.gz VLQYSUMQJSLKRR-UHFFFAOYSA-N 1 0 309.375 4.425 20 30 DIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001559551904 1059365594 /nfs/dbraw/zinc/36/55/94/1059365594.db2.gz PXBLIPHHYMMHMS-SFHVURJKSA-N 1 0 300.446 4.228 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001559554060 1059369082 /nfs/dbraw/zinc/36/90/82/1059369082.db2.gz RUVBFHMGYCPUAC-UHFFFAOYSA-N 1 0 309.837 4.305 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC001559555141 1059370161 /nfs/dbraw/zinc/37/01/61/1059370161.db2.gz SEGAOAUMEHTMHC-YLJYHZDGSA-N 1 0 304.437 4.439 20 30 DIEDRO Cc1ccc(C(C)(C)C[N@H+](C)CCc2ccc(C#N)cc2)cc1 ZINC001559566878 1059390847 /nfs/dbraw/zinc/39/08/47/1059390847.db2.gz QANXWSYQAFMCES-UHFFFAOYSA-N 1 0 306.453 4.319 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001559566769 1059391143 /nfs/dbraw/zinc/39/11/43/1059391143.db2.gz NFRHULACKOQOOM-QRWLVFNGSA-N 1 0 311.375 4.399 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC001559568977 1059399166 /nfs/dbraw/zinc/39/91/66/1059399166.db2.gz LIYOJHYLXNIGQD-FQEVSTJZSA-N 1 0 322.452 4.328 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC001559570707 1059401240 /nfs/dbraw/zinc/40/12/40/1059401240.db2.gz ZVDAUXJTEHAFBJ-KSSFIOAISA-N 1 0 324.424 4.442 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC001559635045 1059461659 /nfs/dbraw/zinc/46/16/59/1059461659.db2.gz IUEXRXLHRBSFHL-KRWDZBQOSA-N 1 0 309.400 4.037 20 30 DIEDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559650509 1059480086 /nfs/dbraw/zinc/48/00/86/1059480086.db2.gz GYGOEXUTZMTSKN-MRXNPFEDSA-N 1 0 301.390 4.011 20 30 DIEDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC001559658182 1059490008 /nfs/dbraw/zinc/49/00/08/1059490008.db2.gz CGHMOYVAINMQGV-GJZGRUSLSA-N 1 0 308.400 4.400 20 30 DIEDRO N#Cc1cncc(C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC001559661870 1059494277 /nfs/dbraw/zinc/49/42/77/1059494277.db2.gz IQDWFSYQGKBJCR-IBGZPJMESA-N 1 0 319.452 4.188 20 30 DIEDRO C#CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@@H]1C ZINC001559688073 1059517918 /nfs/dbraw/zinc/51/79/18/1059517918.db2.gz GFFJTVCXCRBSJA-FUHWJXTLSA-N 1 0 315.457 4.108 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001559690607 1059519073 /nfs/dbraw/zinc/51/90/73/1059519073.db2.gz QHMYAGDXYJODLX-LJQANCHMSA-N 1 0 307.453 4.470 20 30 DIEDRO C#CC[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1 ZINC001559702670 1059529229 /nfs/dbraw/zinc/52/92/29/1059529229.db2.gz YIRFKVPYWWGVLZ-ACRUOGEOSA-N 1 0 305.421 4.261 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001559701172 1059530172 /nfs/dbraw/zinc/53/01/72/1059530172.db2.gz NZCJERLPCIUZEG-ROUUACIJSA-N 1 0 307.865 4.488 20 30 DIEDRO N#Cc1cccc([C@@H](O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC001559704446 1059532710 /nfs/dbraw/zinc/53/27/10/1059532710.db2.gz NVWSGZDKFVMWFE-SFTDATJTSA-N 1 0 320.436 4.113 20 30 DIEDRO C=CCOCC[NH+]1CCC(Cc2ccc(C(C)C)cc2)CC1 ZINC001559722872 1059549295 /nfs/dbraw/zinc/54/92/95/1059549295.db2.gz FTFKUKUYVCJPQH-UHFFFAOYSA-N 1 0 301.474 4.267 20 30 DIEDRO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001559741549 1059573432 /nfs/dbraw/zinc/57/34/32/1059573432.db2.gz PJTMHUVYIQMLQF-IERDGZPVSA-N 1 0 322.452 4.283 20 30 DIEDRO N#CCC1(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001559743804 1059577900 /nfs/dbraw/zinc/57/79/00/1059577900.db2.gz UXJXJDYEEMEXMH-AWEZNQCLSA-N 1 0 308.347 4.189 20 30 DIEDRO C[NH2+][C@@H](CC(C)C)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247629984 1059578278 /nfs/dbraw/zinc/57/82/78/1059578278.db2.gz VQRWBZFQMHPYKT-KRWDZBQOSA-N 1 0 320.396 4.068 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC001532310991 1059584305 /nfs/dbraw/zinc/58/43/05/1059584305.db2.gz GTVYGLOEHCYLQW-IAGOWNOFSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCCOc1ccc(-c2noc([C@@H]3CC[NH2+]3)n2)cc1 ZINC001247676584 1059590058 /nfs/dbraw/zinc/59/00/58/1059590058.db2.gz KFDUMNTXMJCGLJ-INIZCTEOSA-N 1 0 315.417 4.120 20 30 DIEDRO C[N@H+](CC1CCC(C#N)CC1)[C@]1(c2ccccc2)CCCCC1=O ZINC001559756157 1059591452 /nfs/dbraw/zinc/59/14/52/1059591452.db2.gz RTPPIRATGDYGGD-NGICGMGXSA-N 1 0 324.468 4.287 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC001559759691 1059594787 /nfs/dbraw/zinc/59/47/87/1059594787.db2.gz AJVQGRHHJBPRCD-IBGZPJMESA-N 1 0 323.484 4.332 20 30 DIEDRO C#CCCCCCC[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC001559771798 1059606279 /nfs/dbraw/zinc/60/62/79/1059606279.db2.gz HFBQGVUBLMMIJZ-KRWDZBQOSA-N 1 0 304.503 4.010 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1)[C@H]1CCCO1 ZINC001559769703 1059608075 /nfs/dbraw/zinc/60/80/75/1059608075.db2.gz RQPBREGIDYVGRI-ORYQWCPZSA-N 1 0 321.420 4.310 20 30 DIEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC001559773933 1059612529 /nfs/dbraw/zinc/61/25/29/1059612529.db2.gz WBMUJBWGWXUEBI-HNNXBMFYSA-N 1 0 321.262 4.379 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2Cl)C1(CC)CC ZINC001559775695 1059613195 /nfs/dbraw/zinc/61/31/95/1059613195.db2.gz MLLNPTAWFZDSJX-DLBZAZTESA-N 1 0 320.864 4.285 20 30 DIEDRO Cc1ccccc1[C@]1(F)CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC001559787672 1059620717 /nfs/dbraw/zinc/62/07/17/1059620717.db2.gz XQICIPUGFYHDIS-UZLBHIALSA-N 1 0 308.400 4.498 20 30 DIEDRO Cc1ccccc1[C@@]1(F)CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC001559787670 1059621349 /nfs/dbraw/zinc/62/13/49/1059621349.db2.gz XQICIPUGFYHDIS-OXJNMPFZSA-N 1 0 308.400 4.498 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)CCCC1(C)C ZINC001559796952 1059631758 /nfs/dbraw/zinc/63/17/58/1059631758.db2.gz BTKMXCCVMGEQPF-IRXDYDNUSA-N 1 0 309.400 4.065 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC001559796984 1059632819 /nfs/dbraw/zinc/63/28/19/1059632819.db2.gz CODPXQCKAPAPAH-QGZVFWFLSA-N 1 0 318.417 4.170 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001559796129 1059633070 /nfs/dbraw/zinc/63/30/70/1059633070.db2.gz ZJHHQSPUIPUJFM-QGZVFWFLSA-N 1 0 317.539 4.026 20 30 DIEDRO CCC1CCC([N@H+](CCO)CCCCC2(C#N)CCC2)CC1 ZINC001559808828 1059643324 /nfs/dbraw/zinc/64/33/24/1059643324.db2.gz BDSMKAGROYTWDK-UHFFFAOYSA-N 1 0 306.494 4.114 20 30 DIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCOc1ccccc1C#N ZINC001559812656 1059648281 /nfs/dbraw/zinc/64/82/81/1059648281.db2.gz HHYMHOFUKFUXSJ-HNNXBMFYSA-N 1 0 320.392 4.343 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCC[C@H]1COC(=O)NC(C)C ZINC001559815414 1059653160 /nfs/dbraw/zinc/65/31/60/1059653160.db2.gz DYJFYJHRKRKLFT-KRWDZBQOSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC001559831194 1059665014 /nfs/dbraw/zinc/66/50/14/1059665014.db2.gz NNMCEMIZEGYYAQ-VAMGGRTRSA-N 1 0 301.474 4.461 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C ZINC001559843663 1059671531 /nfs/dbraw/zinc/67/15/31/1059671531.db2.gz LERFZXQYMIJHOW-OAHLLOKOSA-N 1 0 310.388 4.464 20 30 DIEDRO CCCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCC[C@H](C)C1 ZINC001559870598 1059688135 /nfs/dbraw/zinc/68/81/35/1059688135.db2.gz BOSJXBUOJIEMPD-RCCFBDPRSA-N 1 0 306.494 4.112 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001559873406 1059691592 /nfs/dbraw/zinc/69/15/92/1059691592.db2.gz QLMVUWRPTJXXMN-RTBURBONSA-N 1 0 307.453 4.147 20 30 DIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001559891793 1059709880 /nfs/dbraw/zinc/70/98/80/1059709880.db2.gz STERLUPAMRQLOH-AWEZNQCLSA-N 1 0 314.816 4.331 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC001559898440 1059712385 /nfs/dbraw/zinc/71/23/85/1059712385.db2.gz XWNLOLCAJOGTFN-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC001559898441 1059715269 /nfs/dbraw/zinc/71/52/69/1059715269.db2.gz XWNLOLCAJOGTFN-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)C1CCC1 ZINC001559900104 1059717002 /nfs/dbraw/zinc/71/70/02/1059717002.db2.gz GIJVMUYKYAZKJB-INIZCTEOSA-N 1 0 321.262 4.379 20 30 DIEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001559903937 1059719758 /nfs/dbraw/zinc/71/97/58/1059719758.db2.gz RQUHJOMORNEWCO-NSHDSACASA-N 1 0 307.235 4.084 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCCOCc3ccccc3)CCC2)cc1 ZINC001559947120 1059760774 /nfs/dbraw/zinc/76/07/74/1059760774.db2.gz LGVOCTTUZNLTFD-UHFFFAOYSA-N 1 0 320.436 4.134 20 30 DIEDRO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CC2(CCCCC2)O1 ZINC001559954101 1059763044 /nfs/dbraw/zinc/76/30/44/1059763044.db2.gz LJXWYUXBPJUUDT-KRWDZBQOSA-N 1 0 304.478 4.274 20 30 DIEDRO CCCCCCCc1ccc(-c2noc(CC3C[NH2+]C3)n2)cc1 ZINC001248311482 1059780644 /nfs/dbraw/zinc/78/06/44/1059780644.db2.gz GLTBWHZGZDAXDZ-UHFFFAOYSA-N 1 0 313.445 4.011 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC001559983490 1059788071 /nfs/dbraw/zinc/78/80/71/1059788071.db2.gz SIOQIAVUXSSJAU-CQSZACIVSA-N 1 0 304.821 4.030 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC001559983483 1059790555 /nfs/dbraw/zinc/79/05/55/1059790555.db2.gz SFPZXPGVVVNBJF-AWEZNQCLSA-N 1 0 300.377 4.269 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC001559992763 1059796947 /nfs/dbraw/zinc/79/69/47/1059796947.db2.gz HTVBGFUEWHYAMI-CXAGYDPISA-N 1 0 321.848 4.351 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001559992482 1059797096 /nfs/dbraw/zinc/79/70/96/1059797096.db2.gz AWOACEGISKXSAB-MLGOLLRUSA-N 1 0 308.809 4.473 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C)c(F)c1 ZINC001559993564 1059797789 /nfs/dbraw/zinc/79/77/89/1059797789.db2.gz ZZWPHGMGDSFZQQ-MAUKXSAKSA-N 1 0 318.436 4.187 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC001559992764 1059798609 /nfs/dbraw/zinc/79/86/09/1059798609.db2.gz HTVBGFUEWHYAMI-DYVFJYSZSA-N 1 0 321.848 4.351 20 30 DIEDRO C=CCCCC[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC001559991197 1059798985 /nfs/dbraw/zinc/79/89/85/1059798985.db2.gz LUWTVCRVWSAAMO-GOSISDBHSA-N 1 0 315.457 4.284 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC/C=C\c1cncc(OC)c1 ZINC001559994293 1059801490 /nfs/dbraw/zinc/80/14/90/1059801490.db2.gz ZIEGEWSGDCBMPA-JPBKIQTRSA-N 1 0 300.446 4.218 20 30 DIEDRO COc1cccc([C@@]2(C)CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC001560000987 1059807068 /nfs/dbraw/zinc/80/70/68/1059807068.db2.gz SAYUMJHWUJCUGS-KKSFZXQISA-N 1 0 320.436 4.291 20 30 DIEDRO Cc1cc(C#N)c(Nc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC001248403279 1059816127 /nfs/dbraw/zinc/81/61/27/1059816127.db2.gz IILGVLIJDULFIT-UHFFFAOYSA-N 1 0 315.442 4.002 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC001560015771 1059822313 /nfs/dbraw/zinc/82/23/13/1059822313.db2.gz NPIKIWVDOJARAG-MRXNPFEDSA-N 1 0 320.436 4.351 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC001560017595 1059832072 /nfs/dbraw/zinc/83/20/72/1059832072.db2.gz NXNPXXDANNMOLA-CALCHBBNSA-N 1 0 305.343 4.240 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC001560027319 1059838949 /nfs/dbraw/zinc/83/89/49/1059838949.db2.gz ZFFFAVXIEGWYLT-MRXNPFEDSA-N 1 0 308.425 4.066 20 30 DIEDRO CC(C)([NH2+]Cc1cncc(C#N)c1)c1ccc2ccccc2c1 ZINC001560041105 1059851031 /nfs/dbraw/zinc/85/10/31/1059851031.db2.gz HIIJGIWGTWLEBO-UHFFFAOYSA-N 1 0 301.393 4.131 20 30 DIEDRO N#CC1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC1 ZINC001248504535 1059855955 /nfs/dbraw/zinc/85/59/55/1059855955.db2.gz HNTBQMKSSJNDIL-UHFFFAOYSA-N 1 0 311.816 4.138 20 30 DIEDRO C[C@@H](C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)CC(C)(C)C ZINC001560063110 1059877443 /nfs/dbraw/zinc/87/74/43/1059877443.db2.gz NELNEWJYICQKEZ-MRXNPFEDSA-N 1 0 314.473 4.226 20 30 DIEDRO C[N@H+](Cc1ccccc1OCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC001560064011 1059878768 /nfs/dbraw/zinc/87/87/68/1059878768.db2.gz RCSPJDQGQOVWJS-QUCCMNQESA-N 1 0 320.436 4.390 20 30 DIEDRO CC[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)c1ccccc1OC ZINC001560088073 1059899909 /nfs/dbraw/zinc/89/99/09/1059899909.db2.gz WNRVVMSRTNITJN-IBGZPJMESA-N 1 0 308.425 4.425 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](C3CCC3)CC2)c1 ZINC001560091516 1059902811 /nfs/dbraw/zinc/90/28/11/1059902811.db2.gz LMSIXIXMLLTMRI-LJQANCHMSA-N 1 0 312.457 4.229 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](C3CCC3)CC2)c1 ZINC001560091515 1059904675 /nfs/dbraw/zinc/90/46/75/1059904675.db2.gz LMSIXIXMLLTMRI-IBGZPJMESA-N 1 0 312.457 4.229 20 30 DIEDRO N#CC(CC[N@H+]1CC[C@H](CF)C1)(c1ccccc1)c1ccccc1 ZINC001560103112 1059910551 /nfs/dbraw/zinc/91/05/51/1059910551.db2.gz HBABQPLZAXMDOQ-GOSISDBHSA-N 1 0 322.427 4.178 20 30 DIEDRO C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCC[N@@H+]1CCCCC#N ZINC001560109216 1059914051 /nfs/dbraw/zinc/91/40/51/1059914051.db2.gz WLGJESPSSQHWNL-KRWDZBQOSA-N 1 0 310.363 4.195 20 30 DIEDRO C=CCCC[C@@H]([NH2+]CCc1ccc(C(N)=O)cc1)c1ccccc1 ZINC001560108749 1059916599 /nfs/dbraw/zinc/91/65/99/1059916599.db2.gz KTFYBDUXELBTCZ-HXUWFJFHSA-N 1 0 322.452 4.015 20 30 DIEDRO CCCC1(CCC)CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001560119724 1059924620 /nfs/dbraw/zinc/92/46/20/1059924620.db2.gz QMHBCUVEOLUHML-UHFFFAOYSA-N 1 0 315.417 4.401 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ncco2)cc1F)c1cccc(C#N)c1 ZINC001560135604 1059939278 /nfs/dbraw/zinc/93/92/78/1059939278.db2.gz VHLQONFTYQQSEB-CYBMUJFWSA-N 1 0 321.355 4.203 20 30 DIEDRO C#CC[N@@H+](CCCCCn1c(C)nc2ccccc21)C(C)(C)C ZINC001560156496 1059954385 /nfs/dbraw/zinc/95/43/85/1059954385.db2.gz PLFCSCROPKARSN-UHFFFAOYSA-N 1 0 311.473 4.249 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Cl)cc2c1OCC2 ZINC001560170926 1059960732 /nfs/dbraw/zinc/96/07/32/1059960732.db2.gz RZQHZOLURBJGEM-IYXRBSQSSA-N 1 0 318.848 4.255 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001248751872 1059964071 /nfs/dbraw/zinc/96/40/71/1059964071.db2.gz NLXJFFVDDQDVOO-LJQANCHMSA-N 1 0 308.400 4.249 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001248751250 1059966550 /nfs/dbraw/zinc/96/65/50/1059966550.db2.gz PJHMWMSVPLCPNC-LJQANCHMSA-N 1 0 304.437 4.185 20 30 DIEDRO N#Cc1ccc([C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)cc1 ZINC001560182003 1059971019 /nfs/dbraw/zinc/97/10/19/1059971019.db2.gz BKDAHDCRQUVYFN-SFTDATJTSA-N 1 0 318.420 4.009 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(Oc3ccccc3OC)c2)CC1 ZINC001248759759 1059971733 /nfs/dbraw/zinc/97/17/33/1059971733.db2.gz OTYUPDXDGLNHBO-UHFFFAOYSA-N 1 0 321.420 4.333 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(-c2ccn(C)n2)cc1)C1CCCCC1 ZINC001248767566 1059973257 /nfs/dbraw/zinc/97/32/57/1059973257.db2.gz MJIDSRQCHOGDQK-UHFFFAOYSA-N 1 0 309.457 4.408 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(-c2ccn(C)n2)cc1 ZINC001248766873 1059973292 /nfs/dbraw/zinc/97/32/92/1059973292.db2.gz KMTYMWVSKHYGDA-UHFFFAOYSA-N 1 0 317.436 4.275 20 30 DIEDRO C=C(CC)C[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001560184035 1059973860 /nfs/dbraw/zinc/97/38/60/1059973860.db2.gz DDQYDKJHKICOIZ-UHFFFAOYSA-N 1 0 324.509 4.216 20 30 DIEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001560189811 1059975506 /nfs/dbraw/zinc/97/55/06/1059975506.db2.gz PFMWTJYUKMHVHJ-LJQANCHMSA-N 1 0 313.441 4.336 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cc(Br)ccc1OC ZINC001560204791 1059984525 /nfs/dbraw/zinc/98/45/25/1059984525.db2.gz ZYHPVEBGHCYUGA-UHFFFAOYSA-N 1 0 312.251 4.246 20 30 DIEDRO Cc1cccc(OCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC001560252891 1060019187 /nfs/dbraw/zinc/01/91/87/1060019187.db2.gz CTVBBTNFXFZTSL-UHFFFAOYSA-N 1 0 322.452 4.355 20 30 DIEDRO C=CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC001560253994 1060022321 /nfs/dbraw/zinc/02/23/21/1060022321.db2.gz VCKPESDHAOKKAK-UHFFFAOYSA-N 1 0 323.827 4.468 20 30 DIEDRO CCCCC[C@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001560253809 1060022669 /nfs/dbraw/zinc/02/26/69/1060022669.db2.gz GLOJWDAZZZGNHA-LBPRGKRZSA-N 1 0 309.251 4.379 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)N[C@H](C)CC)c2)C1 ZINC001560271984 1060047458 /nfs/dbraw/zinc/04/74/58/1060047458.db2.gz NCUPCEHCLAVYLJ-MDZRGWNJSA-N 1 0 314.473 4.049 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC001560284053 1060060868 /nfs/dbraw/zinc/06/08/68/1060060868.db2.gz AGLCMIIWRWISRF-DJIMGWMZSA-N 1 0 301.430 4.243 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCCN(C)C2)c1 ZINC001560285235 1060065274 /nfs/dbraw/zinc/06/52/74/1060065274.db2.gz KQBPXKNBZBFPPW-LJQANCHMSA-N 1 0 318.505 4.220 20 30 DIEDRO C#Cc1ccc(C[NH2+]CC2(c3ccccc3OC)CCCC2)cc1 ZINC001560292722 1060074727 /nfs/dbraw/zinc/07/47/27/1060074727.db2.gz UUVMJWHVLGCRRN-UHFFFAOYSA-N 1 0 319.448 4.278 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC001560305152 1060093447 /nfs/dbraw/zinc/09/34/47/1060093447.db2.gz UOZILKSBIKUCQC-IBGZPJMESA-N 1 0 309.409 4.255 20 30 DIEDRO Cc1csc(CCCC[NH2+]Cc2c(C)cc(C#N)cc2C)n1 ZINC001560308794 1060095640 /nfs/dbraw/zinc/09/56/40/1060095640.db2.gz FKBCTIGZTQFANM-UHFFFAOYSA-N 1 0 313.470 4.053 20 30 DIEDRO C=C(C[NH2+]Cc1ccc2ccc(F)c(F)c2n1)c1ccccc1 ZINC001560315268 1060101048 /nfs/dbraw/zinc/10/10/48/1060101048.db2.gz XIOBZLKHBNLESA-UHFFFAOYSA-N 1 0 310.347 4.316 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc2ccccc2c1 ZINC001560315144 1060101791 /nfs/dbraw/zinc/10/17/91/1060101791.db2.gz RWMDYRINAMIEGI-UHFFFAOYSA-N 1 0 315.420 4.067 20 30 DIEDRO CCC1(CC)CCC([NH2+]Cc2cccc(OCC#N)c2)CC1 ZINC001560332793 1060116632 /nfs/dbraw/zinc/11/66/32/1060116632.db2.gz YEUQZWMJUIJHJZ-UHFFFAOYSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cccc2cnccc21 ZINC001560337498 1060122269 /nfs/dbraw/zinc/12/22/69/1060122269.db2.gz KMWMCRWHWZJVKA-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(F)c1 ZINC001560337132 1060123152 /nfs/dbraw/zinc/12/31/52/1060123152.db2.gz SKTJHSMOHQBRIK-UHFFFAOYSA-N 1 0 322.427 4.448 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccncc1 ZINC001560338635 1060126239 /nfs/dbraw/zinc/12/62/39/1060126239.db2.gz GMHPGCRWHHUMEC-OAQYLSRUSA-N 1 0 321.468 4.479 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(C)c2)C12CCCCC2 ZINC001560342584 1060128561 /nfs/dbraw/zinc/12/85/61/1060128561.db2.gz YZRLCJDKFXUUJV-RTBURBONSA-N 1 0 312.457 4.084 20 30 DIEDRO CC(C)CC[NH+](CCC(C)C)Cc1cnn2ccc(C#N)cc12 ZINC001249119444 1060164444 /nfs/dbraw/zinc/16/44/44/1060164444.db2.gz XPEBHIQGXYCTKG-UHFFFAOYSA-N 1 0 312.461 4.100 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c[nH]c2cc(C(=O)OCC)ccc12 ZINC001249158924 1060172138 /nfs/dbraw/zinc/17/21/38/1060172138.db2.gz PTLUHZUAQHFLGJ-UHFFFAOYSA-N 1 0 314.429 4.133 20 30 DIEDRO C#CCCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001560395363 1060180949 /nfs/dbraw/zinc/18/09/49/1060180949.db2.gz MFASHCWHKITJTR-UHFFFAOYSA-N 1 0 318.464 4.142 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC001560396117 1060181569 /nfs/dbraw/zinc/18/15/69/1060181569.db2.gz NBMFZMRLVLOGMS-HIFRSBDPSA-N 1 0 313.363 4.462 20 30 DIEDRO C[NH2+][C@@H](CC1CCCCC1)c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001249205509 1060190360 /nfs/dbraw/zinc/19/03/60/1060190360.db2.gz YJENWYFCOQBMTR-KRWDZBQOSA-N 1 0 324.428 4.148 20 30 DIEDRO CCC(CC)[C@@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)OC ZINC001560406496 1060190646 /nfs/dbraw/zinc/19/06/46/1060190646.db2.gz IPJMNWPPTMFFGL-LJQANCHMSA-N 1 0 316.489 4.419 20 30 DIEDRO C=CCCOCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001560429309 1060216662 /nfs/dbraw/zinc/21/66/62/1060216662.db2.gz BYOWUJUQPAGJOA-UHFFFAOYSA-N 1 0 315.388 4.300 20 30 DIEDRO CC(C)C(C)(C)C[NH2+]Cc1cc(C#N)ccc1Br ZINC001560443351 1060231451 /nfs/dbraw/zinc/23/14/51/1060231451.db2.gz ZWAVCYFZUSXIJG-UHFFFAOYSA-N 1 0 309.251 4.093 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC2(CCOC)CCCCC2)c1 ZINC001560447953 1060238861 /nfs/dbraw/zinc/23/88/61/1060238861.db2.gz MXBACXBPSXGWOL-UHFFFAOYSA-N 1 0 317.473 4.328 20 30 DIEDRO CC(C)[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccc1 ZINC001249426541 1060248420 /nfs/dbraw/zinc/24/84/20/1060248420.db2.gz WINPARTUTSIUQO-UHFFFAOYSA-N 1 0 303.409 4.450 20 30 DIEDRO C[N@H+](CCCc1ccccc1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249428879 1060248578 /nfs/dbraw/zinc/24/85/78/1060248578.db2.gz FNZRNDKMAUNQJQ-UHFFFAOYSA-N 1 0 303.409 4.104 20 30 DIEDRO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)[C@@H]1CCc2ccccc21 ZINC001249431214 1060248695 /nfs/dbraw/zinc/24/86/95/1060248695.db2.gz YNIOUPLXBQRDGQ-HXUWFJFHSA-N 1 0 301.393 4.159 20 30 DIEDRO CC[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1cccc(OC)c1 ZINC001249429425 1060249672 /nfs/dbraw/zinc/24/96/72/1060249672.db2.gz BCVOKKYATBBFGS-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO N#Cc1ccc2cc(C[N@H+](Cc3ccccc3)C3CC3)[nH]c2c1 ZINC001249429525 1060249723 /nfs/dbraw/zinc/24/97/23/1060249723.db2.gz FVXLUFNQSJDAPR-UHFFFAOYSA-N 1 0 301.393 4.204 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC001560461791 1060253743 /nfs/dbraw/zinc/25/37/43/1060253743.db2.gz RMOGQJMXHMZILL-YLJYHZDGSA-N 1 0 308.400 4.432 20 30 DIEDRO C=C(C)C[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(C)cn21 ZINC001560469693 1060256958 /nfs/dbraw/zinc/25/69/58/1060256958.db2.gz LDDRPYTWMWLGTM-UHFFFAOYSA-N 1 0 309.388 4.115 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001560469664 1060257245 /nfs/dbraw/zinc/25/72/45/1060257245.db2.gz JYFVTNVPWQJXOZ-UHFFFAOYSA-N 1 0 311.385 4.028 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c[nH]c2nc(Cl)nc(Cl)c12 ZINC001249471103 1060257763 /nfs/dbraw/zinc/25/77/63/1060257763.db2.gz ZPANDQADPAGTET-UHFFFAOYSA-N 1 0 313.232 4.004 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(C)c(Br)cn2)CCCC1 ZINC001560471558 1060261560 /nfs/dbraw/zinc/26/15/60/1060261560.db2.gz RUPNQCBVDWQXCL-UHFFFAOYSA-N 1 0 323.278 4.379 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cnc4c(F)cccc4c3)CC2)c1 ZINC001560470229 1060261776 /nfs/dbraw/zinc/26/17/76/1060261776.db2.gz SNQJTWUDCVZXPE-UHFFFAOYSA-N 1 0 317.367 4.024 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001560475174 1060263874 /nfs/dbraw/zinc/26/38/74/1060263874.db2.gz QZENFYHQOULFJA-UHFFFAOYSA-N 1 0 304.434 4.335 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001560474961 1060264083 /nfs/dbraw/zinc/26/40/83/1060264083.db2.gz JKBOIJDFWMYXOT-UHFFFAOYSA-N 1 0 323.362 4.193 20 30 DIEDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC001560477177 1060265659 /nfs/dbraw/zinc/26/56/59/1060265659.db2.gz YNXXYOOWCBGYKB-QZTJIDSGSA-N 1 0 300.446 4.285 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC001560485089 1060278118 /nfs/dbraw/zinc/27/81/18/1060278118.db2.gz IVDJKJYCFHBLAT-PKOBYXMFSA-N 1 0 308.400 4.371 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](CC=C)Cc2ccccc2)cc1 ZINC001560502713 1060296614 /nfs/dbraw/zinc/29/66/14/1060296614.db2.gz NYKMAIICMHUVFP-NRFANRHFSA-N 1 0 319.448 4.366 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC001560503685 1060299430 /nfs/dbraw/zinc/29/94/30/1060299430.db2.gz VCLDMHAPSPMRRC-UHFFFAOYSA-N 1 0 307.290 4.116 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC001560511163 1060309432 /nfs/dbraw/zinc/30/94/32/1060309432.db2.gz BIKMRRGXHDQFKZ-FXUDXRNXSA-N 1 0 322.493 4.013 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC001560520222 1060320626 /nfs/dbraw/zinc/32/06/26/1060320626.db2.gz KODYZHKFVIQUAN-CQSZACIVSA-N 1 0 311.256 4.239 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001560531064 1060331076 /nfs/dbraw/zinc/33/10/76/1060331076.db2.gz TWMJGWWHIKBYHQ-MSOLQXFVSA-N 1 0 315.457 4.463 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC001560530960 1060331616 /nfs/dbraw/zinc/33/16/16/1060331616.db2.gz RPGZYPSLWMJUTD-YOEHRIQHSA-N 1 0 321.436 4.458 20 30 DIEDRO CC1(C)C[C@@]1(C[NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC001560540794 1060346259 /nfs/dbraw/zinc/34/62/59/1060346259.db2.gz BBKBSIRJMMJINQ-HXUWFJFHSA-N 1 0 308.400 4.155 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC001560543153 1060348415 /nfs/dbraw/zinc/34/84/15/1060348415.db2.gz GRLUUBXHRSVDOF-UHFFFAOYSA-N 1 0 310.441 4.353 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC001560549536 1060357070 /nfs/dbraw/zinc/35/70/70/1060357070.db2.gz IMOYFPDDFBMRSH-INIZCTEOSA-N 1 0 307.393 4.104 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001560578651 1060390254 /nfs/dbraw/zinc/39/02/54/1060390254.db2.gz BRHMTTDVTOXIHT-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC001560578709 1060390548 /nfs/dbraw/zinc/39/05/48/1060390548.db2.gz FJGBOHXWUSOCCO-UHFFFAOYSA-N 1 0 311.473 4.478 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+]Cc2cc(C#N)ccc2F)cc1C ZINC001560589785 1060402570 /nfs/dbraw/zinc/40/25/70/1060402570.db2.gz BIOKGWVUYKTJSZ-PLNGDYQASA-N 1 0 308.400 4.426 20 30 DIEDRO C#CCC1([NH2+]Cc2cccc(-c3ccccc3C)c2)CCOCC1 ZINC001560594201 1060406794 /nfs/dbraw/zinc/40/67/94/1060406794.db2.gz FBFSWDMZQKCWJL-UHFFFAOYSA-N 1 0 319.448 4.324 20 30 DIEDRO C=C(C)c1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001560611842 1060424992 /nfs/dbraw/zinc/42/49/92/1060424992.db2.gz NETCHGIHWIDQLK-UHFFFAOYSA-N 1 0 321.468 4.084 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC001527120077 1060439719 /nfs/dbraw/zinc/43/97/19/1060439719.db2.gz VMBHNMWCONNBCY-XWTMOSNGSA-N 1 0 310.526 4.313 20 30 DIEDRO CC(C)[N@H+](CCc1ccc(F)cc1F)Cc1ccc(C#N)cc1 ZINC001560638425 1060454805 /nfs/dbraw/zinc/45/48/05/1060454805.db2.gz AJYHJHUJKQCLEV-UHFFFAOYSA-N 1 0 314.379 4.290 20 30 DIEDRO Cc1ccc(C#N)c(Nc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001249901480 1060466530 /nfs/dbraw/zinc/46/65/30/1060466530.db2.gz XTTYMAAXLQRVSP-UHFFFAOYSA-N 1 0 321.424 4.085 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)CCCO2 ZINC001560645815 1060467286 /nfs/dbraw/zinc/46/72/86/1060467286.db2.gz GBHHVNFLFYAZRJ-UHFFFAOYSA-N 1 0 323.436 4.208 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)cc1 ZINC001560658667 1060484852 /nfs/dbraw/zinc/48/48/52/1060484852.db2.gz GHXMKWUJXFSZCN-UHFFFAOYSA-N 1 0 319.448 4.328 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC001560687003 1060533605 /nfs/dbraw/zinc/53/36/05/1060533605.db2.gz FLXZJCNHAWLSEL-HUUCEWRRSA-N 1 0 305.849 4.363 20 30 DIEDRO C=CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCc1ccco1 ZINC001560708229 1060563832 /nfs/dbraw/zinc/56/38/32/1060563832.db2.gz DXQFJDJESUJSBI-FNORWQNLSA-N 1 0 310.441 4.090 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc2c(cccc2O)s1 ZINC001560709747 1060567070 /nfs/dbraw/zinc/56/70/70/1060567070.db2.gz QBBSNKRHJVKFNR-UHFFFAOYSA-N 1 0 313.422 4.431 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC001560756600 1060623489 /nfs/dbraw/zinc/62/34/89/1060623489.db2.gz RFHGVOCAIVRQDU-CQSZACIVSA-N 1 0 306.400 4.306 20 30 DIEDRO C=CCC[N@@H+](C)C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001560759388 1060625151 /nfs/dbraw/zinc/62/51/51/1060625151.db2.gz ZQYFVPMGNUPFOE-HNNXBMFYSA-N 1 0 312.498 4.214 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)n1 ZINC001560768908 1060631514 /nfs/dbraw/zinc/63/15/14/1060631514.db2.gz MOFZIQGGXLETLB-NJDAHSKKSA-N 1 0 317.436 4.111 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001560795093 1060656159 /nfs/dbraw/zinc/65/61/59/1060656159.db2.gz MAEHIHDJDSWENJ-GVDBMIGSSA-N 1 0 322.493 4.063 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OCCC)c(C)c1 ZINC001560822205 1060681980 /nfs/dbraw/zinc/68/19/80/1060681980.db2.gz PMKDYVQMRODOEI-UHFFFAOYSA-N 1 0 307.437 4.419 20 30 DIEDRO C#C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(Cl)cc1F ZINC001560825099 1060684202 /nfs/dbraw/zinc/68/42/02/1060684202.db2.gz AYUHDYNBGZMVEJ-KUHUBIRLSA-N 1 0 313.803 4.473 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(Br)cc1 ZINC001560854240 1060712000 /nfs/dbraw/zinc/71/20/00/1060712000.db2.gz DQZQGCTYLCTMIC-BLLLJJGKSA-N 1 0 306.247 4.292 20 30 DIEDRO C#C[C@H]([NH2+]CCCC(F)(F)F)c1ccc(Br)cc1 ZINC001560854250 1060712187 /nfs/dbraw/zinc/71/21/87/1060712187.db2.gz DTUBYQYEYTYXSQ-LBPRGKRZSA-N 1 0 320.152 4.056 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(Br)cc1 ZINC001560854241 1060712594 /nfs/dbraw/zinc/71/25/94/1060712594.db2.gz DQZQGCTYLCTMIC-LRDDRELGSA-N 1 0 306.247 4.292 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC001560883364 1060746328 /nfs/dbraw/zinc/74/63/28/1060746328.db2.gz SBXUNZNDTSVAFV-MOPGFXCFSA-N 1 0 307.437 4.330 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C12CCCC2 ZINC001560890236 1060751259 /nfs/dbraw/zinc/75/12/59/1060751259.db2.gz FMWDEPPRTOKKJO-HSALFYBXSA-N 1 0 324.468 4.263 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C12CCCC2 ZINC001560890238 1060751658 /nfs/dbraw/zinc/75/16/58/1060751658.db2.gz FMWDEPPRTOKKJO-VAMGGRTRSA-N 1 0 324.468 4.263 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC001560891125 1060752962 /nfs/dbraw/zinc/75/29/62/1060752962.db2.gz ZGOOXYNDIUKCKK-BBRMVZONSA-N 1 0 322.374 4.414 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CCC1 ZINC001560891127 1060755001 /nfs/dbraw/zinc/75/50/01/1060755001.db2.gz ZGOOXYNDIUKCKK-CZUORRHYSA-N 1 0 322.374 4.414 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC001560911529 1060772789 /nfs/dbraw/zinc/77/27/89/1060772789.db2.gz FYQWINPEJQTYST-ZDUSSCGKSA-N 1 0 311.372 4.275 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC001560922916 1060789020 /nfs/dbraw/zinc/78/90/20/1060789020.db2.gz LSIWOIKLWCZVDS-ZDUSSCGKSA-N 1 0 302.443 4.093 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC001560927071 1060790543 /nfs/dbraw/zinc/79/05/43/1060790543.db2.gz GIFZDEPABUUWDL-ZKXLYKBJSA-N 1 0 307.478 4.079 20 30 DIEDRO CC(C)([NH2+]CCCc1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC001560930342 1060792904 /nfs/dbraw/zinc/79/29/04/1060792904.db2.gz YZTFNXBLPGWLNR-UHFFFAOYSA-N 1 0 314.379 4.294 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccc2oc3ccccc3c2c1)C1CCOCC1 ZINC001560940325 1060805518 /nfs/dbraw/zinc/80/55/18/1060805518.db2.gz JFZZWEVCSIEKOU-IBGZPJMESA-N 1 0 319.404 4.104 20 30 DIEDRO N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC001560957842 1060821128 /nfs/dbraw/zinc/82/11/28/1060821128.db2.gz HKQILYLTLLXLIN-HXUWFJFHSA-N 1 0 323.484 4.230 20 30 DIEDRO Cc1cc(Br)c2c(c1)CC[N@@H+](C[C@H](C)CCC#N)C2 ZINC001560966707 1060830745 /nfs/dbraw/zinc/83/07/45/1060830745.db2.gz JGKFRHUDDIEKDU-GFCCVEGCSA-N 1 0 321.262 4.056 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(C)cc2)cc1C#N ZINC001560985450 1060849659 /nfs/dbraw/zinc/84/96/59/1060849659.db2.gz AWIIKTXGWUOZAZ-PMACEKPBSA-N 1 0 320.436 4.301 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001560997301 1060856288 /nfs/dbraw/zinc/85/62/88/1060856288.db2.gz QHLURMRUXYKXCO-UHFFFAOYSA-N 1 0 309.837 4.209 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001560997277 1060857018 /nfs/dbraw/zinc/85/70/18/1060857018.db2.gz PODPDUIYBDHVQU-CVEARBPZSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001561018511 1060874854 /nfs/dbraw/zinc/87/48/54/1060874854.db2.gz AKSNFKCHUUWJKA-HRCADAONSA-N 1 0 310.482 4.014 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccn2)C1 ZINC001561035860 1060888760 /nfs/dbraw/zinc/88/87/60/1060888760.db2.gz LCIHGSMMPXNQOE-HBFSDRIKSA-N 1 0 305.425 4.037 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001561047711 1060898475 /nfs/dbraw/zinc/89/84/75/1060898475.db2.gz XRRKVYKTPNRRTQ-JYJNAYRXSA-N 1 0 310.482 4.157 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001473200958 1060965951 /nfs/dbraw/zinc/96/59/51/1060965951.db2.gz MBSCADSXRKRRPZ-KRWDZBQOSA-N 1 0 322.452 4.247 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001473216730 1060989392 /nfs/dbraw/zinc/98/93/92/1060989392.db2.gz YWNRMEQAFJPKBF-APWZRJJASA-N 1 0 320.436 4.020 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]CCCc2cccc(Cl)c2)C1 ZINC001462178140 1060997343 /nfs/dbraw/zinc/99/73/43/1060997343.db2.gz UFCWBZNJOQNNQE-UHFFFAOYSA-N 1 0 324.855 4.486 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC001462205173 1061023008 /nfs/dbraw/zinc/02/30/08/1061023008.db2.gz ZBHOFUWKALKFME-NHCUHLMSSA-N 1 0 321.468 4.285 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1)C(C)C ZINC001462212112 1061029340 /nfs/dbraw/zinc/02/93/40/1061029340.db2.gz QYSVNLYGXQVYEG-QAPCUYQASA-N 1 0 307.865 4.443 20 30 DIEDRO CCc1ccc([C@H]([NH2+]C[C@@H](O)c2cccc(C#N)c2)C(C)C)cc1 ZINC001473256605 1061031258 /nfs/dbraw/zinc/03/12/58/1061031258.db2.gz PSJGRPYJXGEQKR-NHCUHLMSSA-N 1 0 322.452 4.141 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260051 1061032914 /nfs/dbraw/zinc/03/29/14/1061032914.db2.gz PRPYIWGAZUACPU-RTBURBONSA-N 1 0 317.448 4.093 20 30 DIEDRO C=CCCC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001473271425 1061042475 /nfs/dbraw/zinc/04/24/75/1061042475.db2.gz APCADHRAHUHUIM-CYBMUJFWSA-N 1 0 300.229 4.413 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001462253090 1061055771 /nfs/dbraw/zinc/05/57/71/1061055771.db2.gz JYXUCKOZXBHPPI-SPUZQDLCSA-N 1 0 305.849 4.299 20 30 DIEDRO N#CCC1(C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CC1 ZINC001473290204 1061063390 /nfs/dbraw/zinc/06/33/90/1061063390.db2.gz XIFCADPLZGYWAR-FQEVSTJZSA-N 1 0 302.421 4.480 20 30 DIEDRO Clc1cccc(C#CC[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC001473314955 1061080270 /nfs/dbraw/zinc/08/02/70/1061080270.db2.gz PNNOORFKLNOCLB-FQEVSTJZSA-N 1 0 309.840 4.302 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)CCc1c(F)cccc1Cl ZINC001473317694 1061083821 /nfs/dbraw/zinc/08/38/21/1061083821.db2.gz BVPVOICIGAPJKY-UHFFFAOYSA-N 1 0 307.796 4.345 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](CC)Cc1ccc(Br)cc1)C(C)(C)C ZINC001462296777 1061086118 /nfs/dbraw/zinc/08/61/18/1061086118.db2.gz MSTHZWVAAPPYFB-HOTGVXAUSA-N 1 0 322.290 4.408 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1c(C)nn(C)c1Cl)c1ccccc1 ZINC001473327586 1061089543 /nfs/dbraw/zinc/08/95/43/1061089543.db2.gz QYXAQEKRZKBHDS-INIZCTEOSA-N 1 0 303.837 4.179 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001473328009 1061090564 /nfs/dbraw/zinc/09/05/64/1061090564.db2.gz SNGUEFTVKZSCRK-WSTZPKSXSA-N 1 0 300.490 4.261 20 30 DIEDRO C=CCC[C@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001473327739 1061090801 /nfs/dbraw/zinc/09/08/01/1061090801.db2.gz SNGUEFTVKZSCRK-GGPKGHCWSA-N 1 0 300.490 4.261 20 30 DIEDRO C=CCCCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001473330281 1061091667 /nfs/dbraw/zinc/09/16/67/1061091667.db2.gz ZFUONJNXGLJMKO-GOSISDBHSA-N 1 0 324.472 4.398 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cnc(OC)c2ccccc12)c1ccccc1 ZINC001473331915 1061092474 /nfs/dbraw/zinc/09/24/74/1061092474.db2.gz QGYBJEMRXAXUFO-HXUWFJFHSA-N 1 0 316.404 4.098 20 30 DIEDRO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(OC)cc1 ZINC001473337350 1061096862 /nfs/dbraw/zinc/09/68/62/1061096862.db2.gz GLKLBJVITCEKKZ-IBGZPJMESA-N 1 0 313.828 4.441 20 30 DIEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(OC)cc1 ZINC001473337351 1061097006 /nfs/dbraw/zinc/09/70/06/1061097006.db2.gz GLKLBJVITCEKKZ-LJQANCHMSA-N 1 0 313.828 4.441 20 30 DIEDRO COc1cc(C#N)ccc1C[NH+](CC(C)(C)C)CC(C)(C)C ZINC001473348710 1061105577 /nfs/dbraw/zinc/10/55/77/1061105577.db2.gz ZTKUICAEQDKJGV-UHFFFAOYSA-N 1 0 302.462 4.461 20 30 DIEDRO CCC1(CC)C[N@H+](Cc2c(C)cc(C#N)cc2C)CCS1 ZINC001473360374 1061112012 /nfs/dbraw/zinc/11/20/12/1061112012.db2.gz LHRYDSCYRFQCLR-UHFFFAOYSA-N 1 0 302.487 4.283 20 30 DIEDRO C=CCC[N@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC001473388795 1061130095 /nfs/dbraw/zinc/13/00/95/1061130095.db2.gz GLBOZQPTEAXZBB-UHFFFAOYSA-N 1 0 306.862 4.488 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc2c(c1)CCCO2 ZINC001462365411 1061130771 /nfs/dbraw/zinc/13/07/71/1061130771.db2.gz SGSZMATWVSWADB-HNNXBMFYSA-N 1 0 306.409 4.076 20 30 DIEDRO CCCCCCC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001473398303 1061136899 /nfs/dbraw/zinc/13/68/99/1061136899.db2.gz ISOSXRWJJALKAF-UHFFFAOYSA-N 1 0 307.453 4.166 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC001462381848 1061140093 /nfs/dbraw/zinc/14/00/93/1061140093.db2.gz BDUXRAIROGKPEN-QGZVFWFLSA-N 1 0 323.411 4.250 20 30 DIEDRO CC(C)(C)c1ccc(CC[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC001462387524 1061144644 /nfs/dbraw/zinc/14/46/44/1061144644.db2.gz ZQEMKRKRPXDTJZ-UHFFFAOYSA-N 1 0 304.437 4.414 20 30 DIEDRO CCCCCCCC[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001473434682 1061158448 /nfs/dbraw/zinc/15/84/48/1061158448.db2.gz HQYXIJJMRNZWLB-CALCHBBNSA-N 1 0 324.509 4.146 20 30 DIEDRO N#Cc1ccc(CC[NH2+]C2CC(Sc3ccccc3)C2)cc1 ZINC001462421051 1061164562 /nfs/dbraw/zinc/16/45/62/1061164562.db2.gz OXNAWWMCAOVJBF-UHFFFAOYSA-N 1 0 308.450 4.014 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC001462429329 1061167848 /nfs/dbraw/zinc/16/78/48/1061167848.db2.gz WKVRFXODWWFIQO-UKRRQHHQSA-N 1 0 317.864 4.451 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC001462429332 1061168149 /nfs/dbraw/zinc/16/81/49/1061168149.db2.gz WKVRFXODWWFIQO-ZFWWWQNUSA-N 1 0 317.864 4.451 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC001462429326 1061168459 /nfs/dbraw/zinc/16/84/59/1061168459.db2.gz WKVRFXODWWFIQO-HIFRSBDPSA-N 1 0 317.864 4.451 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1(C)C ZINC001473457642 1061170445 /nfs/dbraw/zinc/17/04/45/1061170445.db2.gz COJVQWBTRKOSCB-ZTFGCOKTSA-N 1 0 300.446 4.193 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C12CCCC2 ZINC001473457384 1061170902 /nfs/dbraw/zinc/17/09/02/1061170902.db2.gz GDLIDCFHXKCLRW-RBUKOAKNSA-N 1 0 312.457 4.003 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)C12CCCCC2 ZINC001462440438 1061174072 /nfs/dbraw/zinc/17/40/72/1061174072.db2.gz NIPJNPUCHTWZTM-IAGOWNOFSA-N 1 0 304.478 4.178 20 30 DIEDRO C=CCCC(C)(C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001462455246 1061183660 /nfs/dbraw/zinc/18/36/60/1061183660.db2.gz YGYRQYLJUAURAH-JKSUJKDBSA-N 1 0 324.509 4.356 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC001473489020 1061187093 /nfs/dbraw/zinc/18/70/93/1061187093.db2.gz VOQRTTMBROUTCM-AWEZNQCLSA-N 1 0 317.376 4.199 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC001462463440 1061187579 /nfs/dbraw/zinc/18/75/79/1061187579.db2.gz VGMQAMURJSXUQH-CYBMUJFWSA-N 1 0 322.474 4.493 20 30 DIEDRO CCCCCCC[NH+]1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC001473500061 1061192826 /nfs/dbraw/zinc/19/28/26/1061192826.db2.gz QLJIYLDHSJKEEI-HXUWFJFHSA-N 1 0 319.489 4.411 20 30 DIEDRO C=C(C)CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC001473498254 1061194576 /nfs/dbraw/zinc/19/45/76/1061194576.db2.gz MZWNJHLRUZDPMN-CJNGLKHVSA-N 1 0 313.363 4.433 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+][C@H](Cc1cccc(Cl)c1)CC(C)C ZINC001462475145 1061195354 /nfs/dbraw/zinc/19/53/54/1061195354.db2.gz GKFUEGZBNBLYCN-MOPGFXCFSA-N 1 0 321.892 4.315 20 30 DIEDRO CCCN(CC[NH+]1CCCCCC1)[C@@H](C)c1cccc(C#N)c1 ZINC001473515695 1061206923 /nfs/dbraw/zinc/20/69/23/1061206923.db2.gz SLIOFRWOLGVXQR-SFHVURJKSA-N 1 0 313.489 4.207 20 30 DIEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001473518464 1061213823 /nfs/dbraw/zinc/21/38/23/1061213823.db2.gz CNIVHPBWWQOOBF-RDJZCZTQSA-N 1 0 300.446 4.084 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC001462500823 1061214963 /nfs/dbraw/zinc/21/49/63/1061214963.db2.gz BJNVHGYXTITQNU-FOZNTRSISA-N 1 0 307.384 4.129 20 30 DIEDRO C=CCCCC[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001473522618 1061219067 /nfs/dbraw/zinc/21/90/67/1061219067.db2.gz ARKTYQFNPPELKN-AWEZNQCLSA-N 1 0 310.844 4.346 20 30 DIEDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1(C)C ZINC001473542525 1061236269 /nfs/dbraw/zinc/23/62/69/1061236269.db2.gz VECNYJKCQQUDBA-ZWKOTPCHSA-N 1 0 314.473 4.128 20 30 DIEDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1(C)C ZINC001473542522 1061236757 /nfs/dbraw/zinc/23/67/57/1061236757.db2.gz VECNYJKCQQUDBA-MSOLQXFVSA-N 1 0 314.473 4.128 20 30 DIEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCC2(C#N)CCCCC2)C1(C)C ZINC001473543173 1061237243 /nfs/dbraw/zinc/23/72/43/1061237243.db2.gz WBFHZNXYIFSDEU-JKSUJKDBSA-N 1 0 306.494 4.422 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001473561591 1061249211 /nfs/dbraw/zinc/24/92/11/1061249211.db2.gz PSJCQIVZSKCXCS-LJQANCHMSA-N 1 0 308.400 4.465 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(c3cccc(F)c3)CC2)cs1 ZINC001462553617 1061255688 /nfs/dbraw/zinc/25/56/88/1061255688.db2.gz LHBCTGYDEJDRPO-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO C=CCCC[C@H]([NH2+]C1CC(CC(=O)OC)C1)c1ccccc1 ZINC001462551151 1061257124 /nfs/dbraw/zinc/25/71/24/1061257124.db2.gz USRKPVYGTPYUJT-VJFUWPCTSA-N 1 0 301.430 4.015 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cc(Br)cc(C)c2O)CC1 ZINC001462561874 1061260682 /nfs/dbraw/zinc/26/06/82/1061260682.db2.gz DAWUHXKANUTLTI-UHFFFAOYSA-N 1 0 324.262 4.299 20 30 DIEDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473578999 1061268357 /nfs/dbraw/zinc/26/83/57/1061268357.db2.gz WCHWYRYNOLUFRK-DLBZAZTESA-N 1 0 300.421 4.346 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)cc1C#N ZINC001462579948 1061276895 /nfs/dbraw/zinc/27/68/95/1061276895.db2.gz QFQDUWFKHXSSPU-INIZCTEOSA-N 1 0 317.436 4.459 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1cccc2ccccc21 ZINC001462596141 1061285270 /nfs/dbraw/zinc/28/52/70/1061285270.db2.gz ZFVLMLVSNGLLRM-FQEVSTJZSA-N 1 0 301.393 4.347 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001462615429 1061298910 /nfs/dbraw/zinc/29/89/10/1061298910.db2.gz FEWQYZHNYRFRMW-JKSUJKDBSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CC1(NC(=O)OC(C)(C)C)CC1 ZINC001462614882 1061299776 /nfs/dbraw/zinc/29/97/76/1061299776.db2.gz BNIPALUSOSRXKX-HNNXBMFYSA-N 1 0 310.482 4.158 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001473627012 1061300437 /nfs/dbraw/zinc/30/04/37/1061300437.db2.gz CLCYXQCSUAHCCY-PELRDEGISA-N 1 0 313.485 4.363 20 30 DIEDRO C#CCC[N@H+]1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001473627590 1061300473 /nfs/dbraw/zinc/30/04/73/1061300473.db2.gz YIVPDRAFEZVPCU-INIZCTEOSA-N 1 0 311.347 4.006 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001473635209 1061307458 /nfs/dbraw/zinc/30/74/58/1061307458.db2.gz HUQRQCYOCGARSI-MRXNPFEDSA-N 1 0 304.437 4.455 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC001473637470 1061307799 /nfs/dbraw/zinc/30/77/99/1061307799.db2.gz ICUFLVSQVGGSPV-WOJBJXKFSA-N 1 0 301.474 4.360 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(Br)c1 ZINC001473638453 1061309944 /nfs/dbraw/zinc/30/99/44/1061309944.db2.gz VFJBWQMLHFRMAU-KGLIPLIRSA-N 1 0 309.251 4.069 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001473652864 1061316051 /nfs/dbraw/zinc/31/60/51/1061316051.db2.gz ZIUJCZMHOFBSAM-IAGOWNOFSA-N 1 0 324.509 4.358 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC001473657970 1061319951 /nfs/dbraw/zinc/31/99/51/1061319951.db2.gz CPXSYXBIQNNLDT-HNNXBMFYSA-N 1 0 314.256 4.200 20 30 DIEDRO C=CCOCC[N@@H+](CC)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001473663533 1061324059 /nfs/dbraw/zinc/32/40/59/1061324059.db2.gz JGALCQMMHIJIRB-CQSZACIVSA-N 1 0 315.379 4.161 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC001473661695 1061325299 /nfs/dbraw/zinc/32/52/99/1061325299.db2.gz AIMQXWUEQARASA-LJQANCHMSA-N 1 0 312.457 4.372 20 30 DIEDRO CC[NH+](CC)CC[C@H](NCC#Cc1ccccc1)c1ccccc1 ZINC001462681812 1061335964 /nfs/dbraw/zinc/33/59/64/1061335964.db2.gz ZFMLQSCLFROVGK-QFIPXVFZSA-N 1 0 320.480 4.101 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)CCCC(CC)CC)cc1 ZINC001473680553 1061341277 /nfs/dbraw/zinc/34/12/77/1061341277.db2.gz YCKPXDDDNKCQSO-UHFFFAOYSA-N 1 0 314.473 4.145 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCSCC2)CC1 ZINC001473694297 1061349753 /nfs/dbraw/zinc/34/97/53/1061349753.db2.gz FERZFQUFNNATKU-OAHLLOKOSA-N 1 0 300.471 4.228 20 30 DIEDRO FCCC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001473700312 1061353693 /nfs/dbraw/zinc/35/36/93/1061353693.db2.gz NWIFMRVVRARBOD-UHFFFAOYSA-N 1 0 313.338 4.129 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC001473702574 1061354810 /nfs/dbraw/zinc/35/48/10/1061354810.db2.gz JRTHFNWGZKEUPE-FQEVSTJZSA-N 1 0 308.425 4.362 20 30 DIEDRO CC[C@](C)([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC001473705576 1061357272 /nfs/dbraw/zinc/35/72/72/1061357272.db2.gz CGOVLKDKXYYZTG-SFHVURJKSA-N 1 0 300.352 4.251 20 30 DIEDRO CCCC[C@@H](CC)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC001473710556 1061361634 /nfs/dbraw/zinc/36/16/34/1061361634.db2.gz CQTIGFIPHGHFOX-QGZVFWFLSA-N 1 0 314.473 4.370 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)CCCCC1 ZINC001473719104 1061367619 /nfs/dbraw/zinc/36/76/19/1061367619.db2.gz ABMZGZKCPQTHGZ-UHFFFAOYSA-N 1 0 324.827 4.286 20 30 DIEDRO Clc1cccc(C#CC[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC001473727356 1061377628 /nfs/dbraw/zinc/37/76/28/1061377628.db2.gz FNQVFUYDMYUXKJ-LJQANCHMSA-N 1 0 317.860 4.115 20 30 DIEDRO C[C@@]1(Cc2cccc(Br)c2)CCC[N@@H+]1CCCC#N ZINC001473807729 1061416430 /nfs/dbraw/zinc/41/64/30/1061416430.db2.gz YATWSRMKSYWXBA-INIZCTEOSA-N 1 0 321.262 4.150 20 30 DIEDRO CCCCCCCCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001457090155 1061407513 /nfs/dbraw/zinc/40/75/13/1061407513.db2.gz WPHQAXRVDIFXGK-MOPGFXCFSA-N 1 0 322.537 4.458 20 30 DIEDRO C=CCCCCC[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC001473787196 1061409318 /nfs/dbraw/zinc/40/93/18/1061409318.db2.gz CJUWGXYGYFXABA-UHFFFAOYSA-N 1 0 315.457 4.177 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797976 1061410820 /nfs/dbraw/zinc/41/08/20/1061410820.db2.gz STXJYUFHFAYLLB-APWZRJJASA-N 1 0 322.493 4.064 20 30 DIEDRO C[C@]1(Cc2cccc(Br)c2)CCC[N@@H+]1CCCC#N ZINC001473807730 1061417604 /nfs/dbraw/zinc/41/76/04/1061417604.db2.gz YATWSRMKSYWXBA-MRXNPFEDSA-N 1 0 321.262 4.150 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC001473805982 1061417916 /nfs/dbraw/zinc/41/79/16/1061417916.db2.gz KQVGJBDHQKPOLD-HKUYNNGSSA-N 1 0 324.509 4.338 20 30 DIEDRO C#CCC1([NH2+]Cc2oc3ccccc3c2Br)CCC1 ZINC001473820038 1061423441 /nfs/dbraw/zinc/42/34/41/1061423441.db2.gz VWKIJUJMLUEMPD-UHFFFAOYSA-N 1 0 318.214 4.231 20 30 DIEDRO C[N@H+](CCSc1ccc(F)cc1F)Cc1cc(C#N)cs1 ZINC001473836937 1061428701 /nfs/dbraw/zinc/42/87/01/1061428701.db2.gz JIQLULSZAMMSOF-UHFFFAOYSA-N 1 0 324.421 4.122 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC001473845248 1061431587 /nfs/dbraw/zinc/43/15/87/1061431587.db2.gz HCAGSDWTAAXKPP-IBGZPJMESA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@]12C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001473842883 1061432646 /nfs/dbraw/zinc/43/26/46/1061432646.db2.gz FXWFSRXWWVXTAU-CIRFHOKZSA-N 1 0 300.833 4.080 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001473857558 1061436184 /nfs/dbraw/zinc/43/61/84/1061436184.db2.gz WKCNFJNBALMDBR-OAHLLOKOSA-N 1 0 306.356 4.090 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cnc(Br)c(C)c1 ZINC001473857605 1061436396 /nfs/dbraw/zinc/43/63/96/1061436396.db2.gz XWNGXGVNYGSHDN-AWEZNQCLSA-N 1 0 309.251 4.083 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC001473861714 1061436615 /nfs/dbraw/zinc/43/66/15/1061436615.db2.gz ITFPZAIGMVCNFW-UHFFFAOYSA-N 1 0 314.473 4.101 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001473861535 1061437139 /nfs/dbraw/zinc/43/71/39/1061437139.db2.gz AXMVMUVTYLUEDL-GFCCVEGCSA-N 1 0 312.816 4.094 20 30 DIEDRO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001473865157 1061440106 /nfs/dbraw/zinc/44/01/06/1061440106.db2.gz LXHFJHTZGXIIQO-IBGZPJMESA-N 1 0 306.409 4.089 20 30 DIEDRO CCCCCCCC[N@H+](C)CCc1nccc(C(F)(F)F)n1 ZINC001473867753 1061441366 /nfs/dbraw/zinc/44/13/66/1061441366.db2.gz WKGUQFWKLHJVQO-UHFFFAOYSA-N 1 0 317.399 4.330 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](C3CCCC3)C2)c1 ZINC001473886991 1061450231 /nfs/dbraw/zinc/45/02/31/1061450231.db2.gz LNOLNPCMTWUYBL-IBGZPJMESA-N 1 0 312.457 4.229 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH2+]CCCC2CCCC2)c1 ZINC001473908982 1061455534 /nfs/dbraw/zinc/45/55/34/1061455534.db2.gz SLAQEBLHJHPTLB-UHFFFAOYSA-N 1 0 321.262 4.381 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N(C)C)C1 ZINC001473912095 1061458423 /nfs/dbraw/zinc/45/84/23/1061458423.db2.gz ZDGLSYWBHJTMOO-RVKKMQEKSA-N 1 0 306.881 4.277 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CC)cc1OC ZINC001473922775 1061472741 /nfs/dbraw/zinc/47/27/41/1061472741.db2.gz JSNZNWUJNLVVAF-IAGOWNOFSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC001473922980 1061473104 /nfs/dbraw/zinc/47/31/04/1061473104.db2.gz RGSHEXOPWYBKBN-FPOVZHCZSA-N 1 0 312.501 4.028 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)C1 ZINC001473930237 1061477892 /nfs/dbraw/zinc/47/78/92/1061477892.db2.gz CFKLPDLMPGWHHP-DOTOQJQBSA-N 1 0 300.446 4.237 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)C1 ZINC001473938134 1061482670 /nfs/dbraw/zinc/48/26/70/1061482670.db2.gz CABAEIYYPLORLS-HKUYNNGSSA-N 1 0 313.489 4.152 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC001473950748 1061493026 /nfs/dbraw/zinc/49/30/26/1061493026.db2.gz BZPAIZNOXQGTHJ-UHFFFAOYSA-N 1 0 316.807 4.418 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC001473958017 1061498664 /nfs/dbraw/zinc/49/86/64/1061498664.db2.gz OVBGVHLGJYEDLR-WMZOPIPTSA-N 1 0 312.457 4.038 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc2cccc(CC)c2o1 ZINC001474006530 1061546890 /nfs/dbraw/zinc/54/68/90/1061546890.db2.gz GUPABBDATHKZFJ-UHFFFAOYSA-N 1 0 319.404 4.297 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccnc(O[C@@H](C)CC(C)C)c2)cc1 ZINC001474006741 1061547042 /nfs/dbraw/zinc/54/70/42/1061547042.db2.gz ITIVLRLHASSAGK-KRWDZBQOSA-N 1 0 322.452 4.166 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@H](C)CC2)c1 ZINC001474008034 1061548925 /nfs/dbraw/zinc/54/89/25/1061548925.db2.gz SZCWLGPMHHJVMI-RYQLBKOJSA-N 1 0 300.446 4.426 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C12CCCC2 ZINC001474032098 1061574777 /nfs/dbraw/zinc/57/47/77/1061574777.db2.gz GQDIOYSHZWMWDY-OALUTQOASA-N 1 0 324.468 4.069 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001252121084 1061581655 /nfs/dbraw/zinc/58/16/55/1061581655.db2.gz CCRBJZVKIQCHBT-MOPGFXCFSA-N 1 0 304.478 4.330 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001252124836 1061581957 /nfs/dbraw/zinc/58/19/57/1061581957.db2.gz TVVGTMOLCBPCMP-FQEVSTJZSA-N 1 0 314.473 4.028 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001252124837 1061583337 /nfs/dbraw/zinc/58/33/37/1061583337.db2.gz TVVGTMOLCBPCMP-HXUWFJFHSA-N 1 0 314.473 4.028 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC001252130142 1061584381 /nfs/dbraw/zinc/58/43/81/1061584381.db2.gz LVEXHXAOYCGTPT-INIZCTEOSA-N 1 0 318.461 4.371 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](SCC)C2)c1 ZINC001474040065 1061585938 /nfs/dbraw/zinc/58/59/38/1061585938.db2.gz PXHCVBJGUDXYNN-AEFFLSMTSA-N 1 0 305.487 4.405 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001252130481 1061587334 /nfs/dbraw/zinc/58/73/34/1061587334.db2.gz RKNBPAKBVXFKJE-OALUTQOASA-N 1 0 318.505 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC001252131529 1061587946 /nfs/dbraw/zinc/58/79/46/1061587946.db2.gz POTFAKKSCMHYAS-GOSISDBHSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001252133250 1061591384 /nfs/dbraw/zinc/59/13/84/1061591384.db2.gz HKZQEZHYQYTRGO-LMDPOFIKSA-N 1 0 306.494 4.304 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCCc2ncccc21 ZINC001252133043 1061592028 /nfs/dbraw/zinc/59/20/28/1061592028.db2.gz FJZLNFQETMYOTB-VQIMIIECSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](c1ccccn1)C(C)C ZINC001252132660 1061593065 /nfs/dbraw/zinc/59/30/65/1061593065.db2.gz AQGZQGBZGYPTQF-MJGOQNOKSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC001252132659 1061593230 /nfs/dbraw/zinc/59/32/30/1061593230.db2.gz AQGZQGBZGYPTQF-IEBWSBKVSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH+]1CCC2(CCC(=O)CC2)CC1 ZINC001252134778 1061593760 /nfs/dbraw/zinc/59/37/60/1061593760.db2.gz YWFJVILNWJCXAP-IBGZPJMESA-N 1 0 323.521 4.323 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CCC(=O)CC2)CC1 ZINC001252134783 1061595755 /nfs/dbraw/zinc/59/57/55/1061595755.db2.gz YWFJVILNWJCXAP-LJQANCHMSA-N 1 0 323.521 4.323 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC001252138696 1061597008 /nfs/dbraw/zinc/59/70/08/1061597008.db2.gz CRQMDLIKAFCCAU-HKUYNNGSSA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc2ncoc21 ZINC001252138687 1061597061 /nfs/dbraw/zinc/59/70/61/1061597061.db2.gz CEXREQYJDFHAJG-MRXNPFEDSA-N 1 0 304.434 4.029 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC001252139323 1061597222 /nfs/dbraw/zinc/59/72/22/1061597222.db2.gz JPOQEPHLFGDEMH-VQIMIIECSA-N 1 0 307.478 4.024 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](c1ccc(F)cn1)C1CC1 ZINC001252139721 1061597958 /nfs/dbraw/zinc/59/79/58/1061597958.db2.gz QZNRQOSAIKFXFX-HKUYNNGSSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC001252140780 1061600461 /nfs/dbraw/zinc/60/04/61/1061600461.db2.gz UFAXMBIZXNWCAR-MOPGFXCFSA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCc2c1cccc2O ZINC001252140483 1061600619 /nfs/dbraw/zinc/60/06/19/1061600619.db2.gz APUZPHCKNSFBNK-YJBOKZPZSA-N 1 0 305.462 4.081 20 30 DIEDRO Cc1cc(F)c(C#N)c(NCCCCC[NH+]2CCCCC2)c1 ZINC001458192686 1061623745 /nfs/dbraw/zinc/62/37/45/1061623745.db2.gz DIWRPDGETQUYLO-UHFFFAOYSA-N 1 0 303.425 4.074 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001474093746 1061638945 /nfs/dbraw/zinc/63/89/45/1061638945.db2.gz NJFVBXXDBQZQJP-MRXNPFEDSA-N 1 0 315.844 4.281 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001464871422 1061642570 /nfs/dbraw/zinc/64/25/70/1061642570.db2.gz PCKJRKFYTNLEIY-GBESFXJTSA-N 1 0 320.521 4.018 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC001252620349 1061679802 /nfs/dbraw/zinc/67/98/02/1061679802.db2.gz UPQBJDGCSAIINY-SECBINFHSA-N 1 0 308.636 4.064 20 30 DIEDRO C=CCSCC[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001474107580 1061655897 /nfs/dbraw/zinc/65/58/97/1061655897.db2.gz HOZMTICQDSJIGF-UHFFFAOYSA-N 1 0 322.474 4.042 20 30 DIEDRO C=C[C@@](C)(O)C[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001252556261 1061664593 /nfs/dbraw/zinc/66/45/93/1061664593.db2.gz FOPSANGUGFLLIA-JKSUJKDBSA-N 1 0 313.363 4.169 20 30 DIEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(N(CC)c2ccccc2)cc1 ZINC001474120179 1061668363 /nfs/dbraw/zinc/66/83/63/1061668363.db2.gz IYBLGYMSYZXTQR-SFHVURJKSA-N 1 0 310.441 4.135 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCN2CCC3(CCCCC3)CC2)C1 ZINC001474125799 1061671293 /nfs/dbraw/zinc/67/12/93/1061671293.db2.gz XWDKRUCFKPUQBZ-RBUKOAKNSA-N 1 0 304.522 4.367 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001252602887 1061673972 /nfs/dbraw/zinc/67/39/72/1061673972.db2.gz HEPLJZLAAGYOAD-KBPBESRZSA-N 1 0 314.256 4.110 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC001252619106 1061679175 /nfs/dbraw/zinc/67/91/75/1061679175.db2.gz BBNRGEKLYIKSKQ-IBGZPJMESA-N 1 0 317.473 4.062 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC001252615863 1061680485 /nfs/dbraw/zinc/68/04/85/1061680485.db2.gz HMSSPLJBFBPCRJ-HXUWFJFHSA-N 1 0 309.453 4.125 20 30 DIEDRO C=CCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001474135227 1061681765 /nfs/dbraw/zinc/68/17/65/1061681765.db2.gz PXDLWBJWQOJFJT-UHFFFAOYSA-N 1 0 302.399 4.379 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCc2ccccc2CC1 ZINC001474135014 1061682369 /nfs/dbraw/zinc/68/23/69/1061682369.db2.gz YZCBHTWKBHIBIO-OAQYLSRUSA-N 1 0 302.421 4.083 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OCC(C)C)c(OCC)c1 ZINC001474150007 1061693028 /nfs/dbraw/zinc/69/30/28/1061693028.db2.gz WVBKZOHTXYHWKZ-UHFFFAOYSA-N 1 0 305.462 4.422 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC3CCC2CC3)ccc1OC ZINC001474156955 1061697877 /nfs/dbraw/zinc/69/78/77/1061697877.db2.gz JWUCKSMVKRRSQF-VJFUWPCTSA-N 1 0 315.457 4.318 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1nc2c(s1)CCCC2 ZINC001474178231 1061723469 /nfs/dbraw/zinc/72/34/69/1061723469.db2.gz PYFMQMGKFXOBAY-MRXNPFEDSA-N 1 0 312.482 4.299 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)cc1 ZINC001474179672 1061726397 /nfs/dbraw/zinc/72/63/97/1061726397.db2.gz ZTQRRQSCTLORQL-HNNXBMFYSA-N 1 0 320.411 4.020 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2(c3c(F)cccc3F)CCC2)c1 ZINC001474180385 1061727785 /nfs/dbraw/zinc/72/77/85/1061727785.db2.gz IEHGFBVQDRBXAA-UHFFFAOYSA-N 1 0 318.392 4.109 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1CC1(C)C ZINC001474184201 1061732630 /nfs/dbraw/zinc/73/26/30/1061732630.db2.gz QMTVJRLSXFCLJC-MSOLQXFVSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cc1Cl ZINC001474194759 1061743882 /nfs/dbraw/zinc/74/38/82/1061743882.db2.gz AEKSDADSIRPSTA-SHTZXODSSA-N 1 0 323.864 4.341 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cncc(Br)c1C ZINC001474207713 1061764640 /nfs/dbraw/zinc/76/46/40/1061764640.db2.gz BSKGOVRRCYCZHC-XJKSGUPXSA-N 1 0 323.278 4.377 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(CC=C)CCCC2)cc1OC ZINC001474209728 1061766798 /nfs/dbraw/zinc/76/67/98/1061766798.db2.gz INFQZWIZNBRPJQ-UHFFFAOYSA-N 1 0 301.430 4.239 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]CCc1cccnc1 ZINC001252980431 1061772610 /nfs/dbraw/zinc/77/26/10/1061772610.db2.gz OMRIDQUJRXZVTF-IBGZPJMESA-N 1 0 306.494 4.105 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H](C)Cc1cc(C)no1 ZINC001252981029 1061772638 /nfs/dbraw/zinc/77/26/38/1061772638.db2.gz XWYZGYQQFURDSP-AEFFLSMTSA-N 1 0 324.509 4.395 20 30 DIEDRO CCCCCCCCCC[C@H](O)CN1CCC([NH+]2CCC2)CC1 ZINC001252982344 1061772770 /nfs/dbraw/zinc/77/27/70/1061772770.db2.gz CACDZZTUFITLTQ-FQEVSTJZSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]C1CCN(C2CC2)CC1 ZINC001252985286 1061774804 /nfs/dbraw/zinc/77/48/04/1061774804.db2.gz CZHBAAIPIMTGMO-FQEVSTJZSA-N 1 0 324.553 4.095 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@H+](CC)C1CCOCC1 ZINC001252983833 1061775153 /nfs/dbraw/zinc/77/51/53/1061775153.db2.gz ALBROYBGQPTSSA-IBGZPJMESA-N 1 0 313.526 4.379 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001252986943 1061775622 /nfs/dbraw/zinc/77/56/22/1061775622.db2.gz YNOQXEOVIQRMGK-MOPGFXCFSA-N 1 0 311.510 4.133 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC12CCOCC2 ZINC001252985000 1061775662 /nfs/dbraw/zinc/77/56/62/1061775662.db2.gz CIHBRIYLZPWEAV-MSOLQXFVSA-N 1 0 311.510 4.037 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1cncnc1 ZINC001252987051 1061776006 /nfs/dbraw/zinc/77/60/06/1061776006.db2.gz QIMVQOGUDSATQM-FUHWJXTLSA-N 1 0 307.482 4.019 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1c(C)noc1C ZINC001252986627 1061776281 /nfs/dbraw/zinc/77/62/81/1061776281.db2.gz NMUVFJSHEHZWSN-QGZVFWFLSA-N 1 0 310.482 4.273 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CC1(C)CCOCC1 ZINC001252986223 1061776837 /nfs/dbraw/zinc/77/68/37/1061776837.db2.gz KILHBVQOEPYSTH-GOSISDBHSA-N 1 0 313.526 4.284 20 30 DIEDRO Cc1cc(C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)ccc1C#N ZINC001474218888 1061777256 /nfs/dbraw/zinc/77/72/56/1061777256.db2.gz RQBSSYOCYSPEHC-NRFANRHFSA-N 1 0 304.437 4.324 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]CCCC(C)(C)O ZINC001252987856 1061778592 /nfs/dbraw/zinc/77/85/92/1061778592.db2.gz XUZORWYFLRYPLX-KRWDZBQOSA-N 1 0 301.515 4.019 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CC[C@H](O)CC1 ZINC001252989248 1061778940 /nfs/dbraw/zinc/77/89/40/1061778940.db2.gz NPPOOVSTKFHEAX-GUDVDZBRSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(F)cn1 ZINC001252987165 1061779217 /nfs/dbraw/zinc/77/92/17/1061779217.db2.gz RFMWZBJVMLVNLQ-SFHVURJKSA-N 1 0 310.457 4.202 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@]1(C)CC[C@H](O)CC1 ZINC001252989175 1061779329 /nfs/dbraw/zinc/77/93/29/1061779329.db2.gz NAXPLNHLEASIKH-FHWLQOOXSA-N 1 0 313.526 4.161 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H](C)c1cnccn1 ZINC001252987515 1061780634 /nfs/dbraw/zinc/78/06/34/1061780634.db2.gz UNPFCVLQPVRQIQ-IRXDYDNUSA-N 1 0 307.482 4.019 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccnc(F)c1 ZINC001252987518 1061780698 /nfs/dbraw/zinc/78/06/98/1061780698.db2.gz UNSJITLHRFPSTR-QGZVFWFLSA-N 1 0 310.457 4.202 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cc(C#N)co1 ZINC001252988233 1061781200 /nfs/dbraw/zinc/78/12/00/1061781200.db2.gz CHWRPEQJOOBBSR-KRWDZBQOSA-N 1 0 306.450 4.133 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001474231067 1061792078 /nfs/dbraw/zinc/79/20/78/1061792078.db2.gz LJPBBSJPAXRWEB-UHFFFAOYSA-N 1 0 322.456 4.041 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC001474229912 1061792931 /nfs/dbraw/zinc/79/29/31/1061792931.db2.gz GDTIILVYEJPEGA-KBMXLJTQSA-N 1 0 322.855 4.392 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@@]2(Cc3ccccc3)C=CCCC2)n1 ZINC001474233982 1061795204 /nfs/dbraw/zinc/79/52/04/1061795204.db2.gz GZZNNRKHHPPIQJ-IBGZPJMESA-N 1 0 323.465 4.074 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@](C)(Cc2ccccc2)C(C)C)cc1 ZINC001474236007 1061797764 /nfs/dbraw/zinc/79/77/64/1061797764.db2.gz LHDLWTWDSIWZEI-QFIPXVFZSA-N 1 0 321.464 4.446 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)cc1Cl ZINC001474241430 1061806554 /nfs/dbraw/zinc/80/65/54/1061806554.db2.gz NELFRCDWNBBVQO-KRWDZBQOSA-N 1 0 323.864 4.342 20 30 DIEDRO C=CC(C)(C)C(=O)NCc1cccc(C[N@@H+](CC)CCCC)c1 ZINC001465781814 1061810882 /nfs/dbraw/zinc/81/08/82/1061810882.db2.gz GWTWTECQRRGQHI-UHFFFAOYSA-N 1 0 316.489 4.137 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC001474246934 1061811538 /nfs/dbraw/zinc/81/15/38/1061811538.db2.gz LKWUGXJVDSXFEM-BMQCOBNYSA-N 1 0 313.363 4.025 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC001474260343 1061829782 /nfs/dbraw/zinc/82/97/82/1061829782.db2.gz VCHSZXDHWJZMJN-UHFFFAOYSA-N 1 0 324.262 4.294 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC001253226863 1061830985 /nfs/dbraw/zinc/83/09/85/1061830985.db2.gz BXKFLUONOHRDJI-IBGZPJMESA-N 1 0 314.473 4.453 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001253227481 1061831672 /nfs/dbraw/zinc/83/16/72/1061831672.db2.gz JMDJUAMDXWXAOT-GOSISDBHSA-N 1 0 300.446 4.145 20 30 DIEDRO CSc1ccc(C[NH2+]C/C=C/c2ccc(F)cc2)cc1C#N ZINC001474267328 1061834259 /nfs/dbraw/zinc/83/42/59/1061834259.db2.gz SSLKCRILIIUEIX-NSCUHMNNSA-N 1 0 312.413 4.222 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001253227489 1061834381 /nfs/dbraw/zinc/83/43/81/1061834381.db2.gz JOOOSVAXQCFJMA-RBUKOAKNSA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+](C)Cc1ccccc1OC ZINC001253238277 1061836278 /nfs/dbraw/zinc/83/62/78/1061836278.db2.gz BTKLVXDDEKQKTR-SFHVURJKSA-N 1 0 305.462 4.015 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC001253237471 1061838044 /nfs/dbraw/zinc/83/80/44/1061838044.db2.gz ZITLPVAFRRIDKK-OAHLLOKOSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001253233875 1061838336 /nfs/dbraw/zinc/83/83/36/1061838336.db2.gz PJHDXYZKWZDAEL-HZPDHXFCSA-N 1 0 303.437 4.241 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC001253234890 1061839116 /nfs/dbraw/zinc/83/91/16/1061839116.db2.gz GQFBQOAWRXGQKN-GOSISDBHSA-N 1 0 305.462 4.015 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+](C)CCC(=O)c1cccs1 ZINC001253241690 1061840505 /nfs/dbraw/zinc/84/05/05/1061840505.db2.gz ZQBSWHPTYIFHJP-INIZCTEOSA-N 1 0 323.502 4.140 20 30 DIEDRO C=CCCCCCC[C@H](O)CNc1cccc(C[NH+](C)C)c1 ZINC001253241956 1061841166 /nfs/dbraw/zinc/84/11/66/1061841166.db2.gz FFGPZVVYANEXAQ-IBGZPJMESA-N 1 0 304.478 4.048 20 30 DIEDRO C=CCCCCCC[C@H](O)CNc1ccccc1C[NH+](C)C ZINC001253244593 1061843817 /nfs/dbraw/zinc/84/38/17/1061843817.db2.gz MXOUAZCTQCQXET-SFHVURJKSA-N 1 0 304.478 4.048 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cc(F)c(F)cc1F ZINC001253246922 1061848427 /nfs/dbraw/zinc/84/84/27/1061848427.db2.gz DRLAPDQVARWIFM-CQSZACIVSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C(C)(C)C(=O)c1ccccc1 ZINC001253247007 1061848542 /nfs/dbraw/zinc/84/85/42/1061848542.db2.gz VQNBYMYCVLCMAB-GOSISDBHSA-N 1 0 317.473 4.125 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cccc2ncccc12 ZINC001253249354 1061849749 /nfs/dbraw/zinc/84/97/49/1061849749.db2.gz JMTQWVFGTXTMEK-GOSISDBHSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC001253249332 1061849970 /nfs/dbraw/zinc/84/99/70/1061849970.db2.gz JMFNGSUBIDGVAR-MAUKXSAKSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1ccccn1)C(C)C ZINC001253249631 1061850348 /nfs/dbraw/zinc/85/03/48/1061850348.db2.gz LMGQLXJVIKCJKD-MJGOQNOKSA-N 1 0 304.478 4.256 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001253249004 1061850408 /nfs/dbraw/zinc/85/04/08/1061850408.db2.gz FWPPXAULILRMNM-QFBILLFUSA-N 1 0 300.446 4.096 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC001253248242 1061850485 /nfs/dbraw/zinc/85/04/85/1061850485.db2.gz SPANKFWBIHXWCY-SJLPKXTDSA-N 1 0 305.462 4.233 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](CC)c1ncccc1C ZINC001253248453 1061850817 /nfs/dbraw/zinc/85/08/17/1061850817.db2.gz VRYSAFPCGDLJMW-MSOLQXFVSA-N 1 0 304.478 4.318 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1c[nH]c2ccccc12 ZINC001253248592 1061851490 /nfs/dbraw/zinc/85/14/90/1061851490.db2.gz YAGUTPNTERINIW-KRWDZBQOSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CC1CCC(F)(F)CC1 ZINC001253248574 1061851581 /nfs/dbraw/zinc/85/15/81/1061851581.db2.gz XMUYKVWCAPGGKB-INIZCTEOSA-N 1 0 303.437 4.289 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc(F)c(F)c1F ZINC001253247992 1061852006 /nfs/dbraw/zinc/85/20/06/1061852006.db2.gz NWQVURRZJZWAQZ-AWEZNQCLSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(C)(C)c1ncccc1C ZINC001253253008 1061853841 /nfs/dbraw/zinc/85/38/41/1061853841.db2.gz BBMUKQMPXSVOFB-SFHVURJKSA-N 1 0 318.505 4.145 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC001253252974 1061854336 /nfs/dbraw/zinc/85/43/36/1061854336.db2.gz APWNQGHOCGQLNM-OAHLLOKOSA-N 1 0 303.437 4.432 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1ncccc1C)C1CC1 ZINC001253250275 1061854656 /nfs/dbraw/zinc/85/46/56/1061854656.db2.gz WIGRISLQIDDMQU-ICSRJNTNSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1nccc2ccccc21 ZINC001253250307 1061854777 /nfs/dbraw/zinc/85/47/77/1061854777.db2.gz WXKNWIKVNPMYDT-SFHVURJKSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001253250667 1061854905 /nfs/dbraw/zinc/85/49/05/1061854905.db2.gz CTNLFAXVKZFOCZ-RTBURBONSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC001253254530 1061856343 /nfs/dbraw/zinc/85/63/43/1061856343.db2.gz BYQLEZSZZFTGNS-SFHVURJKSA-N 1 0 305.437 4.292 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCOc2ccc(C)cc21 ZINC001253255234 1061856395 /nfs/dbraw/zinc/85/63/95/1061856395.db2.gz HEHKPOHMHGNPEW-IEBWSBKVSA-N 1 0 317.473 4.296 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(CC(C)C)CCOCC1 ZINC001253253451 1061857230 /nfs/dbraw/zinc/85/72/30/1061857230.db2.gz GQRSBOUMKAPVDQ-SFHVURJKSA-N 1 0 311.510 4.059 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001253254499 1061857317 /nfs/dbraw/zinc/85/73/17/1061857317.db2.gz QBGWPXZAOQFSOX-QGZVFWFLSA-N 1 0 320.864 4.189 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1cccnc1F)C1CC1 ZINC001253255398 1061857491 /nfs/dbraw/zinc/85/74/91/1061857491.db2.gz YGQLBEPISADLPM-SJLPKXTDSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC001253254970 1061857626 /nfs/dbraw/zinc/85/76/26/1061857626.db2.gz GBVNJGYXNHHFHH-XLIONFOSSA-N 1 0 317.473 4.160 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1ccncc1C)C1CC1 ZINC001253253825 1061858012 /nfs/dbraw/zinc/85/80/12/1061858012.db2.gz KXDPVJDJMZPCDY-ICSRJNTNSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1ccc(C)cn1)C1CC1 ZINC001253255691 1061858037 /nfs/dbraw/zinc/85/80/37/1061858037.db2.gz ZUMBUZUHRMGKJZ-AZUAARDMSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC001474290790 1061859187 /nfs/dbraw/zinc/85/91/87/1061859187.db2.gz CGRFINQGVMOYFS-FZMZJTMJSA-N 1 0 312.226 4.423 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1([C@H]2CCOC(C)(C)C2)CC1 ZINC001253257627 1061859755 /nfs/dbraw/zinc/85/97/55/1061859755.db2.gz ZTAGWPHGUNTECD-ROUUACIJSA-N 1 0 323.521 4.201 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2onc(C)c2c1 ZINC001253256466 1061860200 /nfs/dbraw/zinc/86/02/00/1061860200.db2.gz YOKVMULTDNQSSX-KRWDZBQOSA-N 1 0 316.445 4.113 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](CCC)c1ccncc1 ZINC001253256423 1061860407 /nfs/dbraw/zinc/86/04/07/1061860407.db2.gz XQDAAHOYFRYJEZ-OALUTQOASA-N 1 0 304.478 4.400 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001253255917 1061860973 /nfs/dbraw/zinc/86/09/73/1061860973.db2.gz NZPJTLAPSSVGOU-HNNXBMFYSA-N 1 0 301.421 4.041 20 30 DIEDRO C=CC(C)(C)[NH2+]Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC001474292400 1061861841 /nfs/dbraw/zinc/86/18/41/1061861841.db2.gz HVKIUHVSARXTSA-UHFFFAOYSA-N 1 0 317.351 4.081 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H]2C)cc1OC ZINC001474333187 1061922241 /nfs/dbraw/zinc/92/22/41/1061922241.db2.gz WBDFUGAXXGCCRD-QWHCGFSZSA-N 1 0 309.837 4.144 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1ncc[nH]1 ZINC001253564833 1061930698 /nfs/dbraw/zinc/93/06/98/1061930698.db2.gz HVZCBQTXKKMQLB-KRWDZBQOSA-N 1 0 309.498 4.171 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1cn(C)cn1 ZINC001253563628 1061932249 /nfs/dbraw/zinc/93/22/49/1061932249.db2.gz LKXDIZWERTWCHC-LJQANCHMSA-N 1 0 323.525 4.182 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]CC1CC(O)C1 ZINC001253566323 1061932370 /nfs/dbraw/zinc/93/23/70/1061932370.db2.gz ZVVBYMIVIFGLQY-JLAWEPINSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1cccnn1 ZINC001253565582 1061932669 /nfs/dbraw/zinc/93/26/69/1061932669.db2.gz QBOLJRPQSULLSD-IBGZPJMESA-N 1 0 321.509 4.238 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1cnccn1 ZINC001253565527 1061932787 /nfs/dbraw/zinc/93/27/87/1061932787.db2.gz OSFKRYBPXSVVPS-LJQANCHMSA-N 1 0 321.509 4.238 20 30 DIEDRO C=C[C@H](O)C[N@@H+]1CCCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001253578391 1061932830 /nfs/dbraw/zinc/93/28/30/1061932830.db2.gz AJGKHRCOTOZIIK-LEWJYISDSA-N 1 0 321.464 4.220 20 30 DIEDRO CC(C)[C@@H](O)C[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001253766154 1061978035 /nfs/dbraw/zinc/97/80/35/1061978035.db2.gz BVJXRJDFUAKFQR-UWJYYQICSA-N 1 0 322.452 4.138 20 30 DIEDRO CC(C)[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001253768032 1061979248 /nfs/dbraw/zinc/97/92/48/1061979248.db2.gz QMJRALXMJVOKQU-UTKZUKDTSA-N 1 0 322.452 4.138 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)c1cccc(OC)c1 ZINC001474376568 1062018366 /nfs/dbraw/zinc/01/83/66/1062018366.db2.gz OCUQYHDVTNIPNC-INIZCTEOSA-N 1 0 308.425 4.458 20 30 DIEDRO COC1(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CCCCCC1 ZINC001474389561 1062040576 /nfs/dbraw/zinc/04/05/76/1062040576.db2.gz PEIWJKVLYXVOIR-UHFFFAOYSA-N 1 0 312.457 4.262 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001474389385 1062043480 /nfs/dbraw/zinc/04/34/80/1062043480.db2.gz OEJRCMJDSAKNCI-AWEZNQCLSA-N 1 0 305.849 4.220 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH+]2CCCCCC2)cc1OC ZINC001474399954 1062052729 /nfs/dbraw/zinc/05/27/29/1062052729.db2.gz VUYBZMCVYBGGDY-UHFFFAOYSA-N 1 0 309.837 4.289 20 30 DIEDRO CC(C)C[N@H+](CCC#N)Cc1cc2nc(Cl)ccc2s1 ZINC001474402941 1062059105 /nfs/dbraw/zinc/05/91/05/1062059105.db2.gz RRTBRKZNKMIQLS-UHFFFAOYSA-N 1 0 307.850 4.321 20 30 DIEDRO N#CC1(c2ccccc2F)CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254229054 1062061099 /nfs/dbraw/zinc/06/10/99/1062061099.db2.gz FNZGYEHRSDRTAG-UHFFFAOYSA-N 1 0 322.374 4.261 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001459311907 1062080956 /nfs/dbraw/zinc/08/09/56/1062080956.db2.gz PVZVUZJOJPXJPO-UHFFFAOYSA-N 1 0 323.827 4.496 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC001254342711 1062082359 /nfs/dbraw/zinc/08/23/59/1062082359.db2.gz RQJXXSXQPWKZIC-CGZBRXJRSA-N 1 0 322.374 4.307 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@@H](CF)C2)CC1 ZINC001254356718 1062085001 /nfs/dbraw/zinc/08/50/01/1062085001.db2.gz RXTAVOGRTLUFFJ-MNNVXMFVSA-N 1 0 318.411 4.211 20 30 DIEDRO Cc1c2ccccc2sc1[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC001474418471 1062087948 /nfs/dbraw/zinc/08/79/48/1062087948.db2.gz NFAFCCYYQMCFLD-CYBMUJFWSA-N 1 0 307.422 4.327 20 30 DIEDRO C[C@H]1C[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C2(CC2)C1 ZINC001254359715 1062088447 /nfs/dbraw/zinc/08/84/47/1062088447.db2.gz OKBWMMBWDBUJPT-VNCLNFNDSA-N 1 0 312.432 4.404 20 30 DIEDRO C=CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccc(OC)cc1 ZINC001459345889 1062100231 /nfs/dbraw/zinc/10/02/31/1062100231.db2.gz UJDIHUPMDCZALD-CQSZACIVSA-N 1 0 314.256 4.267 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(N(C)CC)cc1)[C@H]1CCc2ccccc21 ZINC001459344273 1062100512 /nfs/dbraw/zinc/10/05/12/1062100512.db2.gz LVYXQPBJMYKINH-QFIPXVFZSA-N 1 0 318.464 4.265 20 30 DIEDRO C#CC[N@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCc2ccccc21 ZINC001459345347 1062101857 /nfs/dbraw/zinc/10/18/57/1062101857.db2.gz OGYCMZVZIFXYKX-FPOVZHCZSA-N 1 0 323.480 4.349 20 30 DIEDRO C#CC[N@H+](Cc1cccc2ncccc12)[C@H]1CCc2ccccc21 ZINC001459348592 1062103141 /nfs/dbraw/zinc/10/31/41/1062103141.db2.gz YYRGTLFYEGXSCI-QFIPXVFZSA-N 1 0 312.416 4.358 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC001459349500 1062104974 /nfs/dbraw/zinc/10/49/74/1062104974.db2.gz KEGOHRAZEGFNMT-INIZCTEOSA-N 1 0 308.425 4.458 20 30 DIEDRO N#Cc1ccccc1OC1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254445503 1062106178 /nfs/dbraw/zinc/10/61/78/1062106178.db2.gz ORFSWNBIECRBRC-UHFFFAOYSA-N 1 0 310.441 4.124 20 30 DIEDRO CC[N@H+](C[C@H]1CCCC2(CCC2)O1)[C@H](C)c1ccc(C#N)cc1 ZINC001459355293 1062107960 /nfs/dbraw/zinc/10/79/60/1062107960.db2.gz WOIFSRBVPOOJEJ-VQIMIIECSA-N 1 0 312.457 4.433 20 30 DIEDRO C[C@]1([NH2+]C2CC(C#N)(c3ccccc3)C2)CCCc2ccccc21 ZINC001474433089 1062108973 /nfs/dbraw/zinc/10/89/73/1062108973.db2.gz PTQLVCSDNLHIHW-IRQNMHNUSA-N 1 0 316.448 4.452 20 30 DIEDRO N#CC1(c2ccccc2F)CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254449207 1062109634 /nfs/dbraw/zinc/10/96/34/1062109634.db2.gz NUECKRBYPWXUIP-UHFFFAOYSA-N 1 0 312.432 4.406 20 30 DIEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCc2ccccc2C1 ZINC001459359755 1062110975 /nfs/dbraw/zinc/11/09/75/1062110975.db2.gz ZWXZQFDQMKDYFI-JOCHJYFZSA-N 1 0 321.439 4.447 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CCC3(CCCCC3)O2)C1 ZINC001474443011 1062120413 /nfs/dbraw/zinc/12/04/13/1062120413.db2.gz ODYIWXMWAFIEEX-IOJLRTSASA-N 1 0 324.468 4.082 20 30 DIEDRO C=CC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)CCc1ccccc1 ZINC001459392595 1062123869 /nfs/dbraw/zinc/12/38/69/1062123869.db2.gz OHVHIOBEMWXRTD-AZUAARDMSA-N 1 0 301.474 4.312 20 30 DIEDRO C=CC[N@@H+](CC[C@H]1CCCC1(F)F)Cc1cccc(C#N)c1 ZINC001459398397 1062127560 /nfs/dbraw/zinc/12/75/60/1062127560.db2.gz KTSZGGIFVPEEEG-QGZVFWFLSA-N 1 0 304.384 4.372 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1C[C@@H](OC)C12CCC2)c1ccc(F)c(F)c1 ZINC001474450717 1062128599 /nfs/dbraw/zinc/12/85/99/1062128599.db2.gz VUIJQXADAKWYBK-ZACQAIPSSA-N 1 0 307.384 4.129 20 30 DIEDRO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001254493028 1062134136 /nfs/dbraw/zinc/13/41/36/1062134136.db2.gz IVOAYPWGVXPQBQ-ZWKOTPCHSA-N 1 0 315.482 4.062 20 30 DIEDRO C=C(C)c1cccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC001467474475 1062134383 /nfs/dbraw/zinc/13/43/83/1062134383.db2.gz BAVJJWYDSFJUFP-UHFFFAOYSA-N 1 0 323.440 4.103 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC001459468697 1062154391 /nfs/dbraw/zinc/15/43/91/1062154391.db2.gz SYAVZWPWYGKHPI-OAQYLSRUSA-N 1 0 320.436 4.121 20 30 DIEDRO C=CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)CC1CCCCC1 ZINC001459492202 1062166188 /nfs/dbraw/zinc/16/61/88/1062166188.db2.gz VFSZTWWEPOMTIX-GOSISDBHSA-N 1 0 307.865 4.442 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001459494673 1062168482 /nfs/dbraw/zinc/16/84/82/1062168482.db2.gz XKVANKNXLFTITR-UHFFFAOYSA-N 1 0 301.430 4.040 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001459499679 1062169728 /nfs/dbraw/zinc/16/97/28/1062169728.db2.gz BVWMLAORVJPXHC-OAQYLSRUSA-N 1 0 320.436 4.337 20 30 DIEDRO Cc1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)ccc1C#N ZINC001474506326 1062187117 /nfs/dbraw/zinc/18/71/17/1062187117.db2.gz UINCXSUXDGHAMD-UHFFFAOYSA-N 1 0 319.452 4.099 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1CCC2(CCC2)CO1 ZINC001459535029 1062189619 /nfs/dbraw/zinc/18/96/19/1062189619.db2.gz YVBORSVSLILRDB-VAMGGRTRSA-N 1 0 324.468 4.107 20 30 DIEDRO CC(C)[C@H](C[NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC001474509911 1062192071 /nfs/dbraw/zinc/19/20/71/1062192071.db2.gz ZAQPMLJTLHWRRE-SFHVURJKSA-N 1 0 313.832 4.136 20 30 DIEDRO CCC[N@H+](CCC(C)(C)C#N)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001459538842 1062193158 /nfs/dbraw/zinc/19/31/58/1062193158.db2.gz SRNZSDUBKJIXGV-IRXDYDNUSA-N 1 0 306.494 4.376 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1c1ccccc1Cl ZINC001474520227 1062200105 /nfs/dbraw/zinc/20/01/05/1062200105.db2.gz AVBQHWCVNGJVAX-UWWQBHOKSA-N 1 0 307.865 4.283 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCc3ccccc3C2)cc1 ZINC001474517864 1062202177 /nfs/dbraw/zinc/20/21/77/1062202177.db2.gz XFFINIXGRBHRKA-SFHVURJKSA-N 1 0 307.437 4.146 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](C)c1ccc(C)cc1 ZINC001474517010 1062202326 /nfs/dbraw/zinc/20/23/26/1062202326.db2.gz NMUZTUUDICPWBZ-KRWDZBQOSA-N 1 0 313.441 4.262 20 30 DIEDRO C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccc(Cl)cc1F ZINC001474516406 1062202897 /nfs/dbraw/zinc/20/28/97/1062202897.db2.gz CXJIOFHKGWEIEQ-XQERAMJGSA-N 1 0 309.837 4.170 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001474522149 1062205782 /nfs/dbraw/zinc/20/57/82/1062205782.db2.gz NNGFECIZWYPSEH-CGTJXYLNSA-N 1 0 307.865 4.283 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC001254635755 1062209449 /nfs/dbraw/zinc/20/94/49/1062209449.db2.gz SHVOYKQOSUNZFK-DIOULYMOSA-N 1 0 319.246 4.108 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C1 ZINC001254638205 1062210730 /nfs/dbraw/zinc/21/07/30/1062210730.db2.gz XXOYAVHVTOZSMH-MSOLQXFVSA-N 1 0 306.409 4.303 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)c2F)C1 ZINC001254649126 1062212840 /nfs/dbraw/zinc/21/28/40/1062212840.db2.gz NLEKIZUCKSAUCT-LDYMZIIASA-N 1 0 320.717 4.280 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001254647194 1062214030 /nfs/dbraw/zinc/21/40/30/1062214030.db2.gz RQBXLPPCWVOOEV-IEBWSBKVSA-N 1 0 312.457 4.428 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)cc2)C1 ZINC001254644706 1062215209 /nfs/dbraw/zinc/21/52/09/1062215209.db2.gz VFEHIWJNVBSEMN-PXNLJIHASA-N 1 0 318.420 4.197 20 30 DIEDRO CCc1ccccc1-c1nc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cs1 ZINC001254652988 1062217251 /nfs/dbraw/zinc/21/72/51/1062217251.db2.gz INEHYWFMZJDFIQ-HIFRSBDPSA-N 1 0 311.454 4.154 20 30 DIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254658426 1062219556 /nfs/dbraw/zinc/21/95/56/1062219556.db2.gz WASPOAAPYBEYHS-DZGCQCFKSA-N 1 0 310.363 4.308 20 30 DIEDRO Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@@H]1CC[C@H](C#N)C1 ZINC001254672425 1062222321 /nfs/dbraw/zinc/22/23/21/1062222321.db2.gz AYGRXVDQOKWKFC-DOTOQJQBSA-N 1 0 307.441 4.282 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(F)cc3Cl)CC2)C1 ZINC001254665923 1062223098 /nfs/dbraw/zinc/22/30/98/1062223098.db2.gz RQJDPULKQXITLG-GXTWGEPZSA-N 1 0 322.811 4.015 20 30 DIEDRO CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254664988 1062223311 /nfs/dbraw/zinc/22/33/11/1062223311.db2.gz KPSPHKVAAUDYEU-REHHDOPLSA-N 1 0 323.484 4.013 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C1 ZINC001254660979 1062223590 /nfs/dbraw/zinc/22/35/90/1062223590.db2.gz NXIUSRWDMQSMFC-AEFFLSMTSA-N 1 0 302.849 4.287 20 30 DIEDRO N#C[C@@H]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3c2cccc3F)C1 ZINC001254674211 1062226691 /nfs/dbraw/zinc/22/66/91/1062226691.db2.gz VPJZALCEQMUSMY-UKRRQHHQSA-N 1 0 311.404 4.112 20 30 DIEDRO N#C[C@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCSCC2)C1 ZINC001254676871 1062227574 /nfs/dbraw/zinc/22/75/74/1062227574.db2.gz OOMYGUNKROXYIV-FUHWJXTLSA-N 1 0 300.471 4.076 20 30 DIEDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1F)C(C)(C)C2 ZINC001474541307 1062233156 /nfs/dbraw/zinc/23/31/56/1062233156.db2.gz KYRDFQLXCLFCGB-UHFFFAOYSA-N 1 0 308.400 4.343 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)C1 ZINC001474545003 1062239625 /nfs/dbraw/zinc/23/96/25/1062239625.db2.gz ZPWNXZIEEHJXJM-ZMSDIMECSA-N 1 0 313.420 4.407 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cc(C3CC3)ccc2F)C1 ZINC001474544534 1062241050 /nfs/dbraw/zinc/24/10/50/1062241050.db2.gz QUOQWLWXDKYIRI-UHFFFAOYSA-N 1 0 320.411 4.417 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001474561035 1062263856 /nfs/dbraw/zinc/26/38/56/1062263856.db2.gz VWIKGBRMJTXRBT-GFCCVEGCSA-N 1 0 323.234 4.425 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nnc(-c2ccc(C(C)C)cc2)o1 ZINC001254865245 1062268966 /nfs/dbraw/zinc/26/89/66/1062268966.db2.gz AMFBBHCGOTXVTA-UHFFFAOYSA-N 1 0 311.429 4.359 20 30 DIEDRO Cc1cc(C[NH+]2CC(c3ccccc3)(C(C)C)C2)ccc1C#N ZINC001474584700 1062291934 /nfs/dbraw/zinc/29/19/34/1062291934.db2.gz FUFHLDGLBDTJNH-UHFFFAOYSA-N 1 0 304.437 4.276 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1ccc(CC(C)C)cc1)C(C)C ZINC001459680813 1062301021 /nfs/dbraw/zinc/30/10/21/1062301021.db2.gz BOUZBYNSOKHXEZ-UXHICEINSA-N 1 0 303.490 4.499 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)C1CCOCC1 ZINC001255044089 1062304767 /nfs/dbraw/zinc/30/47/67/1062304767.db2.gz JYFCJBIBLGYMEX-KRWDZBQOSA-N 1 0 320.436 4.300 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C1CCOCC1 ZINC001255044076 1062305627 /nfs/dbraw/zinc/30/56/27/1062305627.db2.gz JLRDEKXYGTVJJX-KRWDZBQOSA-N 1 0 320.436 4.300 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001474614673 1062332900 /nfs/dbraw/zinc/33/29/00/1062332900.db2.gz YVQUSBRFWZLLGQ-SWLSCSKDSA-N 1 0 304.409 4.346 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001474619032 1062338209 /nfs/dbraw/zinc/33/82/09/1062338209.db2.gz LNJKKXFCLYFAHH-SFKKXYGYSA-N 1 0 300.402 4.286 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]C1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001255160868 1062343337 /nfs/dbraw/zinc/34/33/37/1062343337.db2.gz RGOCXSVGARGCIT-INIZCTEOSA-N 1 0 306.400 4.459 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccn1)C1c2ccccc2-c2ccccc21 ZINC001459731861 1062344256 /nfs/dbraw/zinc/34/42/56/1062344256.db2.gz HJXIUBFZCWHXAI-UHFFFAOYSA-N 1 0 311.388 4.155 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CC1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001255160243 1062345206 /nfs/dbraw/zinc/34/52/06/1062345206.db2.gz GDEWCQADBGMFNF-INIZCTEOSA-N 1 0 321.415 4.102 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]C1(Cc2cccc(C(F)(F)F)c2)CCC1 ZINC001255160447 1062345888 /nfs/dbraw/zinc/34/58/88/1062345888.db2.gz KGMQRMZALPNZTI-HNNXBMFYSA-N 1 0 310.363 4.452 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC001474623278 1062346578 /nfs/dbraw/zinc/34/65/78/1062346578.db2.gz MLRKCAKJDFPBGU-JQHSSLGASA-N 1 0 317.473 4.446 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CC1(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001255161102 1062346810 /nfs/dbraw/zinc/34/68/10/1062346810.db2.gz UNBVBMUHEWZAJB-OAHLLOKOSA-N 1 0 310.363 4.310 20 30 DIEDRO CC[C@H](CC#N)[NH+]1CCC(Cc2cnc3ccccc3c2)CC1 ZINC001255176813 1062353877 /nfs/dbraw/zinc/35/38/77/1062353877.db2.gz GAXWWOUAESWCPI-LJQANCHMSA-N 1 0 307.441 4.182 20 30 DIEDRO CCCCCCC[N@H+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255207878 1062356250 /nfs/dbraw/zinc/35/62/50/1062356250.db2.gz MZJDJKUVEXWLDN-BCDXTJNWSA-N 1 0 324.509 4.431 20 30 DIEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001459749162 1062357848 /nfs/dbraw/zinc/35/78/48/1062357848.db2.gz WFFVTKMYEGARQS-HUUCEWRRSA-N 1 0 302.487 4.003 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC001459748821 1062359102 /nfs/dbraw/zinc/35/91/02/1062359102.db2.gz MUSMPDBMACIBTN-SFHVURJKSA-N 1 0 311.429 4.188 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C[C@H]2C[C@@H](OC)C2)C(C)(C)C)cc1 ZINC001459749808 1062363020 /nfs/dbraw/zinc/36/30/20/1062363020.db2.gz WKLSBWKNECVKAU-IZAXUBKRSA-N 1 0 317.473 4.277 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255245277 1062365378 /nfs/dbraw/zinc/36/53/78/1062365378.db2.gz BBTQCNVVQNQOEY-BJWYYQGGSA-N 1 0 322.493 4.205 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC001474646184 1062371996 /nfs/dbraw/zinc/37/19/96/1062371996.db2.gz CQCPATBVSITEGP-LBPRGKRZSA-N 1 0 313.272 4.457 20 30 DIEDRO CC(C)C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001459771092 1062386377 /nfs/dbraw/zinc/38/63/77/1062386377.db2.gz KGLNUOPCSFHMMI-HNNXBMFYSA-N 1 0 322.399 4.418 20 30 DIEDRO C=C(C)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC001459777740 1062392116 /nfs/dbraw/zinc/39/21/16/1062392116.db2.gz GYTAXUUOKYEIRW-UHFFFAOYSA-N 1 0 308.263 4.379 20 30 DIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001459782302 1062395946 /nfs/dbraw/zinc/39/59/46/1062395946.db2.gz XHZBDQKOKPQYSU-UHFFFAOYSA-N 1 0 320.436 4.121 20 30 DIEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H](C)CCCC)CC2)C1 ZINC001255321874 1062399207 /nfs/dbraw/zinc/39/92/07/1062399207.db2.gz FBZPWVRLQNECIF-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001474677245 1062407876 /nfs/dbraw/zinc/40/78/76/1062407876.db2.gz HUOGUVCJYGHVGI-BHIFYINESA-N 1 0 316.448 4.260 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H]2CCCC[C@H]12 ZINC001459805592 1062413590 /nfs/dbraw/zinc/41/35/90/1062413590.db2.gz GZRNOMMIQYJYIL-WQVCFCJDSA-N 1 0 320.383 4.170 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001474697026 1062423496 /nfs/dbraw/zinc/42/34/96/1062423496.db2.gz QMXSHGFNZLHSQK-CABCVRRESA-N 1 0 324.509 4.260 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC001474696118 1062424137 /nfs/dbraw/zinc/42/41/37/1062424137.db2.gz FAVXLDWQHFIQPS-UHFFFAOYSA-N 1 0 305.466 4.240 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CC1 ZINC001474698418 1062426635 /nfs/dbraw/zinc/42/66/35/1062426635.db2.gz UJKPKAGQNJTPMV-ZDUSSCGKSA-N 1 0 308.263 4.425 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC1(c2ccc(Br)cc2)CC1 ZINC001474698417 1062427182 /nfs/dbraw/zinc/42/71/82/1062427182.db2.gz UJKPKAGQNJTPMV-CYBMUJFWSA-N 1 0 308.263 4.425 20 30 DIEDRO CC(C)[C@@H]1CCCCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001459832159 1062433584 /nfs/dbraw/zinc/43/35/84/1062433584.db2.gz FEKCPTWNAUICMB-IBGZPJMESA-N 1 0 300.446 4.228 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001459839337 1062438465 /nfs/dbraw/zinc/43/84/65/1062438465.db2.gz HDSCCBZQVLRIRN-CVEARBPZSA-N 1 0 303.446 4.183 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 ZINC001474713205 1062440793 /nfs/dbraw/zinc/44/07/93/1062440793.db2.gz RLVKMVYLKVBNLU-VPAKFMSCSA-N 1 0 309.494 4.074 20 30 DIEDRO C[N@H+](CCCCCOc1ccccc1)Cc1cc(C#N)cs1 ZINC001474726103 1062446910 /nfs/dbraw/zinc/44/69/10/1062446910.db2.gz JRSFTYVWMFOAAD-UHFFFAOYSA-N 1 0 314.454 4.301 20 30 DIEDRO C=CCC[C@H]([NH2+]CCOc1ccccc1OC)c1ccccc1 ZINC001459851804 1062449370 /nfs/dbraw/zinc/44/93/70/1062449370.db2.gz OVAYERYKPWVZCE-SFHVURJKSA-N 1 0 311.425 4.371 20 30 DIEDRO C[C@]1(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)CCCS1 ZINC001474727697 1062450692 /nfs/dbraw/zinc/45/06/92/1062450692.db2.gz KSXKGLCMAWLOBF-GOSISDBHSA-N 1 0 300.471 4.023 20 30 DIEDRO C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1cccc(F)c1F ZINC001255453511 1062451811 /nfs/dbraw/zinc/45/18/11/1062451811.db2.gz FTJRJGZRTCLTNF-XIWWETDGSA-N 1 0 312.363 4.239 20 30 DIEDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC001459872846 1062463896 /nfs/dbraw/zinc/46/38/96/1062463896.db2.gz HZBHFCPFMBBEPY-DLBZAZTESA-N 1 0 322.452 4.438 20 30 DIEDRO COC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001255582532 1062485292 /nfs/dbraw/zinc/48/52/92/1062485292.db2.gz WRJXAEBRPQLITD-DLBZAZTESA-N 1 0 308.425 4.156 20 30 DIEDRO C#CCCCCCC[N@@H+](CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001459904286 1062487467 /nfs/dbraw/zinc/48/74/67/1062487467.db2.gz VRJWISUNZBDPCN-OAQYLSRUSA-N 1 0 312.501 4.167 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001469239144 1062509619 /nfs/dbraw/zinc/50/96/19/1062509619.db2.gz WBEDUGBTOIWMOX-VWHUOQICSA-N 1 0 320.521 4.236 20 30 DIEDRO FC[C@@H]1C[N@@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H]1C(F)(F)F ZINC001255705271 1062529694 /nfs/dbraw/zinc/52/96/94/1062529694.db2.gz JASYATRZNZPXFS-CHWFTXMASA-N 1 0 321.280 4.187 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC001459980864 1062541139 /nfs/dbraw/zinc/54/11/39/1062541139.db2.gz SBMIDZHEUCBMOC-KHSSZTOVSA-N 1 0 309.400 4.375 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(F)c(F)c1 ZINC001459980374 1062541512 /nfs/dbraw/zinc/54/15/12/1062541512.db2.gz OBDNFNGFMFBSBY-OLUCIUBSSA-N 1 0 307.384 4.129 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(F)c(F)c1 ZINC001459980791 1062542140 /nfs/dbraw/zinc/54/21/40/1062542140.db2.gz QZBCDAHOLZEKHI-PBHICJAKSA-N 1 0 307.384 4.273 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC001459993120 1062555036 /nfs/dbraw/zinc/55/50/36/1062555036.db2.gz PMYLDAYZFFLUTC-UHFFFAOYSA-N 1 0 307.457 4.093 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001255745172 1062570781 /nfs/dbraw/zinc/57/07/81/1062570781.db2.gz RFSNFXJCSVQRBN-CQSZACIVSA-N 1 0 314.429 4.310 20 30 DIEDRO Cc1ccc(SC[C@H](C)[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC001255752877 1062571718 /nfs/dbraw/zinc/57/17/18/1062571718.db2.gz LMUKMJUOGZWFJJ-INIZCTEOSA-N 1 0 310.466 4.180 20 30 DIEDRO Cc1ccccc1[C@@]1(F)CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC001460025666 1062579865 /nfs/dbraw/zinc/57/98/65/1062579865.db2.gz YRBNGWXSDSRLHD-FAFZWHIHSA-N 1 0 300.421 4.196 20 30 DIEDRO C[C@H](Cc1ccccc1F)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001255829739 1062614631 /nfs/dbraw/zinc/61/46/31/1062614631.db2.gz NCLLTZQFXDXCIZ-LLVKDONJSA-N 1 0 324.321 4.181 20 30 DIEDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC001460077298 1062617000 /nfs/dbraw/zinc/61/70/00/1062617000.db2.gz APIMSCQSXYCJBY-DLBZAZTESA-N 1 0 302.487 4.252 20 30 DIEDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC001460083318 1062626038 /nfs/dbraw/zinc/62/60/38/1062626038.db2.gz JZLIRWDIJZLDML-DYESRHJHSA-N 1 0 320.436 4.410 20 30 DIEDRO C=C(CC)C[NH2+][C@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC001460107229 1062642599 /nfs/dbraw/zinc/64/25/99/1062642599.db2.gz UNVMLGKPERSQIY-OAHLLOKOSA-N 1 0 301.352 4.339 20 30 DIEDRO CC(C)[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC001460111506 1062643419 /nfs/dbraw/zinc/64/34/19/1062643419.db2.gz NLJGRJUFCNIFSR-SJORKVTESA-N 1 0 320.864 4.072 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC001460150950 1062667241 /nfs/dbraw/zinc/66/72/41/1062667241.db2.gz JEZAJOINAOOTNT-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO CCCCCCCC[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC001460148653 1062667847 /nfs/dbraw/zinc/66/78/47/1062667847.db2.gz PNQGVXAVGNBXHJ-IAGOWNOFSA-N 1 0 310.526 4.314 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001460160375 1062669731 /nfs/dbraw/zinc/66/97/31/1062669731.db2.gz IQJJGVIWXGSWFD-CLCXKQKWSA-N 1 0 308.400 4.464 20 30 DIEDRO C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)c2ccccc21 ZINC001460175260 1062679365 /nfs/dbraw/zinc/67/93/65/1062679365.db2.gz MGSGZYPFJUJBDL-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460199134 1062696049 /nfs/dbraw/zinc/69/60/49/1062696049.db2.gz WWNYQGSXPRRWNH-WOJBJXKFSA-N 1 0 320.436 4.236 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460199094 1062696552 /nfs/dbraw/zinc/69/65/52/1062696552.db2.gz WWNYQGSXPRRWNH-PMACEKPBSA-N 1 0 320.436 4.236 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccc(C#N)cc1 ZINC001460225740 1062708629 /nfs/dbraw/zinc/70/86/29/1062708629.db2.gz GYLIRPBMDFDUKH-XOKHGSTOSA-N 1 0 300.446 4.191 20 30 DIEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCCCC2(C#N)CCC2)C1(C)C ZINC001460226665 1062711133 /nfs/dbraw/zinc/71/11/33/1062711133.db2.gz LGPUZYJZBOTLMK-JKSUJKDBSA-N 1 0 306.494 4.422 20 30 DIEDRO Clc1ccccc1C#CC[N@@H+]1CCSC2(CCC2)CC1 ZINC001460239953 1062721443 /nfs/dbraw/zinc/72/14/43/1062721443.db2.gz PNTLHTWXMRKORQ-UHFFFAOYSA-N 1 0 305.874 4.053 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CC1(C)C ZINC001460262109 1062739432 /nfs/dbraw/zinc/73/94/32/1062739432.db2.gz GRHPXJWXCXHEBD-GJZGRUSLSA-N 1 0 310.363 4.491 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CC1(C)C ZINC001460262110 1062740192 /nfs/dbraw/zinc/74/01/92/1062740192.db2.gz GRHPXJWXCXHEBD-HUUCEWRRSA-N 1 0 310.363 4.491 20 30 DIEDRO C[N@H+](CCOc1ccccc1C#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001460268545 1062747203 /nfs/dbraw/zinc/74/72/03/1062747203.db2.gz ZYNJYXZRLFIYBQ-IRXDYDNUSA-N 1 0 300.446 4.084 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001256229085 1062753024 /nfs/dbraw/zinc/75/30/24/1062753024.db2.gz LNAIZTPBTILANV-CJNGLKHVSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001256229084 1062754017 /nfs/dbraw/zinc/75/40/17/1062754017.db2.gz LNAIZTPBTILANV-BBRMVZONSA-N 1 0 321.262 4.006 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC001460288996 1062760568 /nfs/dbraw/zinc/76/05/68/1062760568.db2.gz HLCZXNZNZGZZNZ-KBPBESRZSA-N 1 0 306.247 4.245 20 30 DIEDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001460291050 1062760697 /nfs/dbraw/zinc/76/06/97/1062760697.db2.gz UNHMPOIEJJPTKC-SFHVURJKSA-N 1 0 314.429 4.356 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CCC(C)C)[C@@H]2CC ZINC001256365473 1062789175 /nfs/dbraw/zinc/78/91/75/1062789175.db2.gz QMFYWSMPNGTDDV-GGPKGHCWSA-N 1 0 320.521 4.233 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001460403685 1062837637 /nfs/dbraw/zinc/83/76/37/1062837637.db2.gz FXCBSDANMNTXBF-INIZCTEOSA-N 1 0 304.437 4.455 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC001460406621 1062838438 /nfs/dbraw/zinc/83/84/38/1062838438.db2.gz DFSBBDCLVJGFOS-GOEBONIOSA-N 1 0 320.864 4.393 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)oc2cc(C)ccc12 ZINC001460414698 1062845252 /nfs/dbraw/zinc/84/52/52/1062845252.db2.gz YQYQXBKLKDBCRX-YJBOKZPZSA-N 1 0 311.425 4.326 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)CCCC1 ZINC001460429573 1062851876 /nfs/dbraw/zinc/85/18/76/1062851876.db2.gz RIAUDVJRIYLZDB-UHFFFAOYSA-N 1 0 323.436 4.260 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc3ccccc3c2)CCCC1 ZINC001460439635 1062855552 /nfs/dbraw/zinc/85/55/52/1062855552.db2.gz CKLQUECPXIUWRD-UHFFFAOYSA-N 1 0 308.425 4.257 20 30 DIEDRO C=CC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001460454827 1062866286 /nfs/dbraw/zinc/86/62/86/1062866286.db2.gz NBRUYEHACWRIOI-UHFFFAOYSA-N 1 0 301.352 4.371 20 30 DIEDRO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001460495912 1062884440 /nfs/dbraw/zinc/88/44/40/1062884440.db2.gz AIGSVYBZQWRCGU-SFHVURJKSA-N 1 0 320.477 4.047 20 30 DIEDRO C[C@H](C[NH+]1CCC(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC001460506696 1062886643 /nfs/dbraw/zinc/88/66/43/1062886643.db2.gz SZHDHOKGVXIIHC-MRXNPFEDSA-N 1 0 311.473 4.349 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC001460534012 1062902198 /nfs/dbraw/zinc/90/21/98/1062902198.db2.gz GZZXQXPUDYHUOH-SFHVURJKSA-N 1 0 306.498 4.446 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CCSCC3)CC2)c1 ZINC001460565997 1062913546 /nfs/dbraw/zinc/91/35/46/1062913546.db2.gz OASIFPDWUGYSCZ-UHFFFAOYSA-N 1 0 320.889 4.321 20 30 DIEDRO C=C(Cl)C[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC001460602063 1062930719 /nfs/dbraw/zinc/93/07/19/1062930719.db2.gz CSZAWYOICNBRJE-AAEUAGOBSA-N 1 0 314.654 4.379 20 30 DIEDRO CCCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001471314817 1062959779 /nfs/dbraw/zinc/95/97/79/1062959779.db2.gz MHLPVCXNBFWGSN-LJQANCHMSA-N 1 0 316.489 4.046 20 30 DIEDRO CC(C)([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC001256785545 1062976425 /nfs/dbraw/zinc/97/64/25/1062976425.db2.gz GPHRQGYEROMDKZ-VQTJNVASSA-N 1 0 320.436 4.303 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256793451 1062984102 /nfs/dbraw/zinc/98/41/02/1062984102.db2.gz PGXOBJRNELSVCL-WMQCIHAUSA-N 1 0 318.420 4.055 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3CCO[C@@H](c4ccccc4)C3)(CC1)CC2 ZINC001256800895 1062988953 /nfs/dbraw/zinc/98/89/53/1062988953.db2.gz RTYXUUXASAKZNO-WBYGSUFKSA-N 1 0 310.441 4.113 20 30 DIEDRO C=CCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001460699989 1062996391 /nfs/dbraw/zinc/99/63/91/1062996391.db2.gz CDWHASFTPUSQIP-UHFFFAOYSA-N 1 0 322.493 4.208 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH2+]CC1(C#N)CCCC1 ZINC001256825165 1063003464 /nfs/dbraw/zinc/00/34/64/1063003464.db2.gz PRTWIQYEEBPCPN-CYBMUJFWSA-N 1 0 321.262 4.054 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001460754491 1063042499 /nfs/dbraw/zinc/04/24/99/1063042499.db2.gz NGBYUERXHMZBDL-INIZCTEOSA-N 1 0 315.461 4.337 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCCC[C@@H]2CC2(O)CCCCC2)CC1 ZINC001460760338 1063044036 /nfs/dbraw/zinc/04/40/36/1063044036.db2.gz LFIYBTATRCVHIO-CTWPCTMYSA-N 1 0 318.505 4.256 20 30 DIEDRO CC(C)([NH2+]C1CCC(C#N)CC1)c1cccc(Br)c1 ZINC001256959414 1063057479 /nfs/dbraw/zinc/05/74/79/1063057479.db2.gz DJLVZFKBSIHYOH-UHFFFAOYSA-N 1 0 321.262 4.356 20 30 DIEDRO N#CC1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC001256950907 1063058191 /nfs/dbraw/zinc/05/81/91/1063058191.db2.gz QLIIVUSTZINBKC-INORYPFCSA-N 1 0 319.246 4.108 20 30 DIEDRO N#CC1CCC([NH2+]CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001256957886 1063059448 /nfs/dbraw/zinc/05/94/48/1063059448.db2.gz KXDUPJYGBBTRBT-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO N#CC1CCC([NH2+]CCOc2ccc(-c3ccccc3)cc2)CC1 ZINC001256958236 1063059720 /nfs/dbraw/zinc/05/97/20/1063059720.db2.gz WHABKDJAOHFKFG-UHFFFAOYSA-N 1 0 320.436 4.404 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC001256959505 1063059901 /nfs/dbraw/zinc/05/99/01/1063059901.db2.gz HYVHZCPZECFVFB-APHPEJJXSA-N 1 0 320.436 4.133 20 30 DIEDRO CCCCCC[C@@](CC)([NH2+]C1CCC(C#N)CC1)C(=O)OCC ZINC001256963623 1063060868 /nfs/dbraw/zinc/06/08/68/1063060868.db2.gz LNQZDKQKAHHDIQ-FAFZWHIHSA-N 1 0 322.493 4.341 20 30 DIEDRO COc1cccc(CC2(C[NH2+]C3CCC(C#N)CC3)CCC2)c1 ZINC001256962644 1063062145 /nfs/dbraw/zinc/06/21/45/1063062145.db2.gz RUPLHAICDCJJMZ-UHFFFAOYSA-N 1 0 312.457 4.080 20 30 DIEDRO N#CC1CCC([NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)CC1 ZINC001256968607 1063062273 /nfs/dbraw/zinc/06/22/73/1063062273.db2.gz XCVOFNSRAZJSTH-SKINQDTJSA-N 1 0 324.468 4.107 20 30 DIEDRO N#CC1CCC([N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001256967075 1063062537 /nfs/dbraw/zinc/06/25/37/1063062537.db2.gz UGRHJCDVGMKOTC-YXIVMFJDSA-N 1 0 324.468 4.107 20 30 DIEDRO N#CC1CCC([N@H+](Cc2ccccc2)Cc2ccncc2)CC1 ZINC001256965693 1063062758 /nfs/dbraw/zinc/06/27/58/1063062758.db2.gz XHDLSDMSUAZEDU-UHFFFAOYSA-N 1 0 305.425 4.166 20 30 DIEDRO N#CC1CCC([NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001256965450 1063062902 /nfs/dbraw/zinc/06/29/02/1063062902.db2.gz UMCDLPKARBHRDK-UHFFFAOYSA-N 1 0 309.413 4.090 20 30 DIEDRO C[C@@H]1OC2(CC[NH+](C3CCC(C#N)CC3)CC2)c2ccccc21 ZINC001256970744 1063066190 /nfs/dbraw/zinc/06/61/90/1063066190.db2.gz CXBXNJGJTQBQQU-GTPINHCMSA-N 1 0 310.441 4.151 20 30 DIEDRO N#CC1CCC([N@@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC001256973651 1063066713 /nfs/dbraw/zinc/06/67/13/1063066713.db2.gz VIURKOBRWXSKOJ-JFUPDXTOSA-N 1 0 318.848 4.266 20 30 DIEDRO C#CC[N@@H+](CCCc1ccccc1Br)C(C)(C)C ZINC001460805797 1063072039 /nfs/dbraw/zinc/07/20/39/1063072039.db2.gz FOAFXNNZSZQYNM-UHFFFAOYSA-N 1 0 308.263 4.115 20 30 DIEDRO CCCCCCCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001472326811 1063073159 /nfs/dbraw/zinc/07/31/59/1063073159.db2.gz AUIIKCGTRJMNPP-MSOLQXFVSA-N 1 0 308.510 4.068 20 30 DIEDRO COc1ccccc1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257007419 1063074555 /nfs/dbraw/zinc/07/45/55/1063074555.db2.gz BDOLDSBTXZSJTF-UHFFFAOYSA-N 1 0 320.436 4.383 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC001257008122 1063076166 /nfs/dbraw/zinc/07/61/66/1063076166.db2.gz HRZDLTGEDNVOQZ-UHFFFAOYSA-N 1 0 316.448 4.341 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]C3(C4CCOCC4)CC3)CC2)cc1 ZINC001257011479 1063076631 /nfs/dbraw/zinc/07/66/31/1063076631.db2.gz PIOKBOSRAKWQJR-UHFFFAOYSA-N 1 0 324.468 4.133 20 30 DIEDRO C[C@H](COCC1CCCCC1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001460811820 1063076998 /nfs/dbraw/zinc/07/69/98/1063076998.db2.gz ANXMRCVFFLEIPP-MRXNPFEDSA-N 1 0 319.876 4.267 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]C3(c4ccncc4)CC3)CC2)cc1 ZINC001257010916 1063077101 /nfs/dbraw/zinc/07/71/01/1063077101.db2.gz MOENGPVEDZFMQC-UHFFFAOYSA-N 1 0 317.436 4.258 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)cc1 ZINC001257011225 1063077488 /nfs/dbraw/zinc/07/74/88/1063077488.db2.gz HOUAOHQWLTYBQY-MHJFOBGBSA-N 1 0 312.457 4.133 20 30 DIEDRO C[C@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1nccs1 ZINC001257010689 1063078540 /nfs/dbraw/zinc/07/85/40/1063078540.db2.gz FTXYOBMDARMZRQ-IGEOTXOUSA-N 1 0 311.454 4.392 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC001257017513 1063079409 /nfs/dbraw/zinc/07/94/09/1063079409.db2.gz VKJCUKKEPBSNOM-KOQKOIQBSA-N 1 0 324.468 4.085 20 30 DIEDRO COC1(C)CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257017192 1063082289 /nfs/dbraw/zinc/08/22/89/1063082289.db2.gz QKHOUPDJLKGVIE-UHFFFAOYSA-N 1 0 312.457 4.085 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H](CF)C3)CC2)cc1 ZINC001257020121 1063083310 /nfs/dbraw/zinc/08/33/10/1063083310.db2.gz AIZNJYUHOODHDL-IVMQYODDSA-N 1 0 300.421 4.266 20 30 DIEDRO C[C@H]1C[C@H]2C[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)CC[C@H]2O1 ZINC001257017994 1063083630 /nfs/dbraw/zinc/08/36/30/1063083630.db2.gz CMWMKELCWTVPFO-OPLVDVLWSA-N 1 0 324.468 4.084 20 30 DIEDRO N#CCC1CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257020369 1063083938 /nfs/dbraw/zinc/08/39/38/1063083938.db2.gz DFFQOYAXZDOAIB-UHFFFAOYSA-N 1 0 307.441 4.210 20 30 DIEDRO C[N@H+](C[C@H]1CCCCO1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257020496 1063084898 /nfs/dbraw/zinc/08/48/98/1063084898.db2.gz GFZSFKSXNLAMKW-SOAGJPPSSA-N 1 0 312.457 4.085 20 30 DIEDRO C#CCC1([NH2+]Cc2cccc(C(=O)C(F)(F)F)c2)CCCCC1 ZINC001460827457 1063088667 /nfs/dbraw/zinc/08/86/67/1063088667.db2.gz HCBQXYTWPSBMGK-UHFFFAOYSA-N 1 0 323.358 4.247 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)cc1 ZINC001460861704 1063105782 /nfs/dbraw/zinc/10/57/82/1063105782.db2.gz SDJNDJMQFNCXLE-UHFFFAOYSA-N 1 0 316.448 4.427 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cscc1Br ZINC001460885316 1063114195 /nfs/dbraw/zinc/11/41/95/1063114195.db2.gz DYWIUBISNACTMD-LBPRGKRZSA-N 1 0 300.265 4.441 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1)C(C)(C)C ZINC001257141955 1063121341 /nfs/dbraw/zinc/12/13/41/1063121341.db2.gz KSNYUSYOTJCOGD-CVEARBPZSA-N 1 0 324.509 4.451 20 30 DIEDRO C=CCCC[N@@H+](CC)CCc1cccc(OC(F)(F)F)c1 ZINC001460902726 1063126411 /nfs/dbraw/zinc/12/64/11/1063126411.db2.gz UYFHEVCRMMYZCF-UHFFFAOYSA-N 1 0 301.352 4.416 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)(C)C ZINC001460906970 1063128961 /nfs/dbraw/zinc/12/89/61/1063128961.db2.gz BGVDNRRCZSRSAA-IBGZPJMESA-N 1 0 310.416 4.258 20 30 DIEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H](CC)CCC)CC2)C1 ZINC001257256591 1063162964 /nfs/dbraw/zinc/16/29/64/1063162964.db2.gz JRHXYAOHPJBNSG-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO N#Cc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cs1 ZINC001461001062 1063177046 /nfs/dbraw/zinc/17/70/46/1063177046.db2.gz IMIQHFXTRBJISV-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[N@@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC001257285075 1063181230 /nfs/dbraw/zinc/18/12/30/1063181230.db2.gz MXOFVIGZNREWKP-KKSFZXQISA-N 1 0 322.452 4.405 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nnc([C@@H]2C[C@@H]2c2ccc(C)cc2)o1 ZINC001257289083 1063181282 /nfs/dbraw/zinc/18/12/82/1063181282.db2.gz OFWZRCJHJDFQTG-QZTJIDSGSA-N 1 0 323.440 4.148 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001472726538 1063188441 /nfs/dbraw/zinc/18/84/41/1063188441.db2.gz GKLJKTUQWGXJPS-WBVHZDCISA-N 1 0 323.415 4.081 20 30 DIEDRO CCC[C@H](C)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001257325337 1063210277 /nfs/dbraw/zinc/21/02/77/1063210277.db2.gz HVZQOBWWNHMDJP-ZDUSSCGKSA-N 1 0 306.837 4.243 20 30 DIEDRO CCCC(CCC)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001257332107 1063213615 /nfs/dbraw/zinc/21/36/15/1063213615.db2.gz BGWIJERSWSSDIN-UHFFFAOYSA-N 1 0 313.489 4.081 20 30 DIEDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1cc(F)ccc1C#N)[NH+](C)C ZINC001472778105 1063228336 /nfs/dbraw/zinc/22/83/36/1063228336.db2.gz XJHLSLXLYDOWNY-AUUYWEPGSA-N 1 0 311.404 4.109 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)CCC(=O)OCCCC)c1ccccc1 ZINC001257392639 1063253099 /nfs/dbraw/zinc/25/30/99/1063253099.db2.gz ZQYAFSUMKXXQIJ-FUHWJXTLSA-N 1 0 303.446 4.405 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H](CC)CCCC)C2 ZINC001257418432 1063263746 /nfs/dbraw/zinc/26/37/46/1063263746.db2.gz CWHPOEPFOMVKAZ-CEXWTWQISA-N 1 0 309.494 4.029 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001461121548 1063270387 /nfs/dbraw/zinc/27/03/87/1063270387.db2.gz OZEDHSXBSFLTHZ-XJKCOSOUSA-N 1 0 313.363 4.073 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H](C)CC[C@H](C)CCC)C2)C1=O ZINC001257477411 1063296048 /nfs/dbraw/zinc/29/60/48/1063296048.db2.gz JLIYUPOMRIXOKU-GGPKGHCWSA-N 1 0 320.521 4.092 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(Br)c(F)c1)c1ccccc1 ZINC001461153905 1063296823 /nfs/dbraw/zinc/29/68/23/1063296823.db2.gz JVQOHPRICQZGJY-UHFFFAOYSA-N 1 0 320.205 4.391 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H](C)CC[C@@H](C)CCC)C2)C1=O ZINC001257477413 1063297219 /nfs/dbraw/zinc/29/72/19/1063297219.db2.gz JLIYUPOMRIXOKU-NSHGMRRFSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001461167767 1063305923 /nfs/dbraw/zinc/30/59/23/1063305923.db2.gz KLHLWGKXORGDIK-IKGGRYGDSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CC[NH+](CC=C)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257496526 1063311571 /nfs/dbraw/zinc/31/15/71/1063311571.db2.gz QHYNTQPWNHHEGI-UHFFFAOYSA-N 1 0 319.489 4.153 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1ccc(F)cc1Cl ZINC001461174452 1063312008 /nfs/dbraw/zinc/31/20/08/1063312008.db2.gz LNVZRHIACQPHNQ-UHFFFAOYSA-N 1 0 316.807 4.300 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H](C)CCCCC)C2 ZINC001257509525 1063316640 /nfs/dbraw/zinc/31/66/40/1063316640.db2.gz HEGBDCIVNXWXEG-GBESFXJTSA-N 1 0 309.494 4.029 20 30 DIEDRO CCCCCCCCCC[C@H](C)n1[nH]c(=O)c2c1CC[NH2+]C2 ZINC001257549787 1063328228 /nfs/dbraw/zinc/32/82/28/1063328228.db2.gz DBHBKNPLZMOELH-HNNXBMFYSA-N 1 0 307.482 4.326 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH+]1CCC(NC(N)=O)CC1 ZINC001257550198 1063330915 /nfs/dbraw/zinc/33/09/15/1063330915.db2.gz KWIHZMDEZKQYQP-INIZCTEOSA-N 1 0 311.514 4.038 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001257550911 1063331036 /nfs/dbraw/zinc/33/10/36/1063331036.db2.gz XITMDKJJRBDGKZ-SJORKVTESA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCCCC[C@H](C)n1[nH]c(=O)c(CC[NH3+])c1C ZINC001257550385 1063331356 /nfs/dbraw/zinc/33/13/56/1063331356.db2.gz NGYYKPFVPRGZHO-HNNXBMFYSA-N 1 0 309.498 4.490 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH2+]C1CCN(C2COC2)CC1 ZINC001257550866 1063331377 /nfs/dbraw/zinc/33/13/77/1063331377.db2.gz XAJHTWUNKPCSTC-SFHVURJKSA-N 1 0 324.553 4.359 20 30 DIEDRO CC(C)(C[NH2+]Cc1csc(C#N)c1)c1ccc(F)cc1Cl ZINC001461206858 1063333025 /nfs/dbraw/zinc/33/30/25/1063333025.db2.gz KYHZZARXAQGPBH-UHFFFAOYSA-N 1 0 322.836 4.480 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001257550248 1063333619 /nfs/dbraw/zinc/33/36/19/1063333619.db2.gz LRHWGKRPIUATCM-PMACEKPBSA-N 1 0 324.553 4.312 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001257563507 1063336938 /nfs/dbraw/zinc/33/69/38/1063336938.db2.gz FYBDTMGPVPBZSZ-ZFWWWQNUSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001257564330 1063338239 /nfs/dbraw/zinc/33/82/39/1063338239.db2.gz KYFAOANSLYJDJD-HIFRSBDPSA-N 1 0 321.262 4.006 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccncc1 ZINC001461221009 1063343137 /nfs/dbraw/zinc/34/31/37/1063343137.db2.gz UEBGEZJRUOEBQM-GOSISDBHSA-N 1 0 305.425 4.289 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccncc1 ZINC001461221012 1063343833 /nfs/dbraw/zinc/34/38/33/1063343833.db2.gz UEBGEZJRUOEBQM-SFHVURJKSA-N 1 0 305.425 4.289 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccncc1 ZINC001461221152 1063344375 /nfs/dbraw/zinc/34/43/75/1063344375.db2.gz WLPGYOHTECCGNR-INIZCTEOSA-N 1 0 302.805 4.151 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccncc1 ZINC001461221155 1063344584 /nfs/dbraw/zinc/34/45/84/1063344584.db2.gz WLPGYOHTECCGNR-MRXNPFEDSA-N 1 0 302.805 4.151 20 30 DIEDRO C=C(C)C[N@@H+](CC)C1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257591681 1063348349 /nfs/dbraw/zinc/34/83/49/1063348349.db2.gz RRVYRMQIWYUQPP-GJZGRUSLSA-N 1 0 310.482 4.061 20 30 DIEDRO N#Cc1c(F)cccc1OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001473008388 1063350987 /nfs/dbraw/zinc/35/09/87/1063350987.db2.gz SRKYABQVMWMVEG-UHFFFAOYSA-N 1 0 324.399 4.262 20 30 DIEDRO CCCCCCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001479016510 1063357372 /nfs/dbraw/zinc/35/73/72/1063357372.db2.gz ZONMVSUCZAFKTD-SFHVURJKSA-N 1 0 323.525 4.053 20 30 DIEDRO Cc1cc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)ccc1C#N ZINC001461246882 1063363940 /nfs/dbraw/zinc/36/39/40/1063363940.db2.gz YQWNSWHJYYVJOD-UHFFFAOYSA-N 1 0 323.827 4.334 20 30 DIEDRO C=CCCC[NH2+][C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257801287 1063389790 /nfs/dbraw/zinc/38/97/90/1063389790.db2.gz VHGBGTAHFGHUGA-LPHOPBHVSA-N 1 0 322.493 4.112 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](C2CCC(OCc3ccccc3)CC2)C1 ZINC001257833095 1063401025 /nfs/dbraw/zinc/40/10/25/1063401025.db2.gz LUUQSIFWOAGUCD-QHGAOEGBSA-N 1 0 312.457 4.140 20 30 DIEDRO CC1(C#N)CC[NH+](C2CCC(OCc3ccccc3)CC2)CC1 ZINC001257834977 1063403080 /nfs/dbraw/zinc/40/30/80/1063403080.db2.gz YUXUHZYIYOWUQW-UHFFFAOYSA-N 1 0 312.457 4.140 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](C2CCC(OCc3ccccc3)CC2)CC1 ZINC001257834804 1063403353 /nfs/dbraw/zinc/40/33/53/1063403353.db2.gz WDPXLKQILPNDSV-KKXNLOMOSA-N 1 0 312.457 4.140 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC001473110803 1063408246 /nfs/dbraw/zinc/40/82/46/1063408246.db2.gz AAFHEDYALUPJOY-HXUWFJFHSA-N 1 0 320.436 4.034 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)cc1F ZINC001473113096 1063412445 /nfs/dbraw/zinc/41/24/45/1063412445.db2.gz WMHLMPDVVJWYKK-LJQANCHMSA-N 1 0 308.400 4.295 20 30 DIEDRO CC(C)OC1CCC([N@H+](CCC#N)Cc2ccccc2)CC1 ZINC001257877998 1063421279 /nfs/dbraw/zinc/42/12/79/1063421279.db2.gz GTWYJCOPKMCJRX-UHFFFAOYSA-N 1 0 300.446 4.138 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](CO)c3cccc(Cl)c3)C[C@H](C1)C2 ZINC001257887497 1063424303 /nfs/dbraw/zinc/42/43/03/1063424303.db2.gz ATROALJEKSNOQX-YWGCOLQPSA-N 1 0 305.849 4.098 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccc(Br)nc3)C[C@H](C1)C2 ZINC001257887308 1063424784 /nfs/dbraw/zinc/42/47/84/1063424784.db2.gz OKCWVEHIVAKBCD-YIONKMFJSA-N 1 0 321.262 4.069 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC001461334113 1063426816 /nfs/dbraw/zinc/42/68/16/1063426816.db2.gz SEVZORIUAXTJGG-UHFFFAOYSA-N 1 0 310.441 4.137 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cn(Cc4ccccc4)cn3)C[C@H](C1)C2 ZINC001257890582 1063428297 /nfs/dbraw/zinc/42/82/97/1063428297.db2.gz QFGKYCALRBLNHP-YOFSQIOKSA-N 1 0 321.468 4.156 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H](CO)c3cccc(Cl)c3)C[C@H](C1)C2 ZINC001257889837 1063428919 /nfs/dbraw/zinc/42/89/19/1063428919.db2.gz KIIPFJBGFZRCNL-JNUZOFDASA-N 1 0 319.876 4.140 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](CF)[C@H](C(F)(F)F)C3)C[C@H](C1)C2 ZINC001257892081 1063430421 /nfs/dbraw/zinc/43/04/21/1063430421.db2.gz SMKPCSBDZCYQKY-VVYWCFLBSA-N 1 0 305.359 4.201 20 30 DIEDRO C=C1C[C@@H]2CC(n3cncc3C[NH2+]Cc3ccccc3)C[C@H](C1)C2 ZINC001257894961 1063431547 /nfs/dbraw/zinc/43/15/47/1063431547.db2.gz FLUVHGVQWIJEKL-YOFSQIOKSA-N 1 0 321.468 4.480 20 30 DIEDRO C=C1C[C@@H]2CC([N@H+]3CCCC[C@@H]3c3noc(C)n3)C[C@H](C1)C2 ZINC001257892713 1063432162 /nfs/dbraw/zinc/43/21/62/1063432162.db2.gz BONOMVXORLAXPX-FCLJQHQZSA-N 1 0 301.434 4.040 20 30 DIEDRO C=CC[N@@H+](CCCOc1ccccc1C)Cc1cccc(C#N)c1 ZINC001473132398 1063441258 /nfs/dbraw/zinc/44/12/58/1063441258.db2.gz YKCZVKSSJXFJOT-UHFFFAOYSA-N 1 0 320.436 4.324 20 30 DIEDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001473135237 1063443955 /nfs/dbraw/zinc/44/39/55/1063443955.db2.gz DNFUHVHPKJMMHJ-LJQANCHMSA-N 1 0 304.437 4.473 20 30 DIEDRO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1C(C)(C)C#N ZINC001473136426 1063444497 /nfs/dbraw/zinc/44/44/97/1063444497.db2.gz BFDOJXPJPBRKGD-UHFFFAOYSA-N 1 0 320.411 4.262 20 30 DIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC001473143393 1063449186 /nfs/dbraw/zinc/44/91/86/1063449186.db2.gz DRSJDNXNEPGYNC-HXUWFJFHSA-N 1 0 307.412 4.447 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1(c2cccnc2)CCOCC1 ZINC001258043110 1063474268 /nfs/dbraw/zinc/47/42/68/1063474268.db2.gz IWUOVEFOXFQPPA-SFHVURJKSA-N 1 0 318.505 4.468 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cn(CC(F)(F)F)cn1 ZINC001258043362 1063475188 /nfs/dbraw/zinc/47/51/88/1063475188.db2.gz NSWDYBDBJBISSL-CYBMUJFWSA-N 1 0 305.388 4.284 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001258042083 1063475323 /nfs/dbraw/zinc/47/53/23/1063475323.db2.gz GKPJHAPGPALJQW-WMZOPIPTSA-N 1 0 318.505 4.064 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](CC(=O)OC)c1cccnc1 ZINC001258041707 1063475444 /nfs/dbraw/zinc/47/54/44/1063475444.db2.gz ZKXAAUKWGWXDKV-DOTOQJQBSA-N 1 0 306.450 4.024 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](CC(=O)OC)c1cccnc1 ZINC001258041708 1063475831 /nfs/dbraw/zinc/47/58/31/1063475831.db2.gz ZKXAAUKWGWXDKV-NVXWUHKLSA-N 1 0 306.450 4.024 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CCC(=O)N2CC)CC1 ZINC001258044305 1063477206 /nfs/dbraw/zinc/47/72/06/1063477206.db2.gz LOINSSTXDTZCOO-KRWDZBQOSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001258045341 1063477593 /nfs/dbraw/zinc/47/75/93/1063477593.db2.gz ZJSKDYHORJBHGY-WMZOPIPTSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001258049480 1063480728 /nfs/dbraw/zinc/48/07/28/1063480728.db2.gz IRXMJHXHHSEXAF-KRWDZBQOSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001258047528 1063480969 /nfs/dbraw/zinc/48/09/69/1063480969.db2.gz LSJVJEZUGFIJCD-DFQSSKMNSA-N 1 0 323.521 4.395 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCCn2cnc(COCC)c2C1 ZINC001258048648 1063481028 /nfs/dbraw/zinc/48/10/28/1063481028.db2.gz WOPSZQQXEFKBTO-KRWDZBQOSA-N 1 0 321.509 4.374 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001258047533 1063481522 /nfs/dbraw/zinc/48/15/22/1063481522.db2.gz LSMZPTQYFVRFFX-OXJNMPFZSA-N 1 0 314.473 4.331 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1C#N)[C@H]1C[C@H](OCC)C1(C)C ZINC001473176147 1063482737 /nfs/dbraw/zinc/48/27/37/1063482737.db2.gz SOSCKTVRGUGTDC-ROUUACIJSA-N 1 0 318.436 4.113 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001258049412 1063482906 /nfs/dbraw/zinc/48/29/06/1063482906.db2.gz HEGCLFQYYIOWFV-KRWDZBQOSA-N 1 0 323.525 4.005 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)o1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001473176100 1063483716 /nfs/dbraw/zinc/48/37/16/1063483716.db2.gz RQZUEUWBUKSZHC-QZTJIDSGSA-N 1 0 316.445 4.101 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CC(=O)N(C(C)C)C2)CC1 ZINC001258053120 1063484201 /nfs/dbraw/zinc/48/42/01/1063484201.db2.gz WHBJCXZKHSWXOL-SFHVURJKSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001258052230 1063485078 /nfs/dbraw/zinc/48/50/78/1063485078.db2.gz MXMKPPRCFFZBPD-QZTJIDSGSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC001258052798 1063485661 /nfs/dbraw/zinc/48/56/61/1063485661.db2.gz SIMNZAQRYVLLKS-QZTJIDSGSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[C@H](C)N(c1cc(C)ncn1)C1CC[NH2+]CC1 ZINC001258052809 1063485789 /nfs/dbraw/zinc/48/57/89/1063485789.db2.gz SNOAUMYPAWGTBQ-KRWDZBQOSA-N 1 0 318.509 4.092 20 30 DIEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258062394 1063490660 /nfs/dbraw/zinc/49/06/60/1063490660.db2.gz PSKONMOIAMWBRY-IAGOWNOFSA-N 1 0 324.509 4.071 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)CCOC)cc1Cl ZINC001461427568 1063493727 /nfs/dbraw/zinc/49/37/27/1063493727.db2.gz JJQYWHUNXOWXAP-UHFFFAOYSA-N 1 0 311.853 4.057 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001473186558 1063493571 /nfs/dbraw/zinc/49/35/71/1063493571.db2.gz MESKTIJWTFXSDY-VQTJNVASSA-N 1 0 305.425 4.030 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H](C)C[C@@H](C)CC(C)C)CC2 ZINC001258066396 1063494776 /nfs/dbraw/zinc/49/47/76/1063494776.db2.gz PZZIPFLRKWVQCM-ROUUACIJSA-N 1 0 320.521 4.090 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)ccc1C#N ZINC001461431321 1063496773 /nfs/dbraw/zinc/49/67/73/1063496773.db2.gz BVYXAOIFAUMJRF-WIYYLYMNSA-N 1 0 304.437 4.368 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)CC)cc1OC ZINC001461442568 1063509018 /nfs/dbraw/zinc/50/90/18/1063509018.db2.gz RDLBVJURWANJAC-UHFFFAOYSA-N 1 0 311.853 4.439 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H](C)CCC=C(C)C)C2 ZINC001258089515 1063515344 /nfs/dbraw/zinc/51/53/44/1063515344.db2.gz UDRQESCGSODPNC-QUCCMNQESA-N 1 0 318.505 4.154 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H](C)CCCC(=O)OCC ZINC001258127480 1063528770 /nfs/dbraw/zinc/52/87/70/1063528770.db2.gz RXSYSPVZWLSOQF-QGZVFWFLSA-N 1 0 303.446 4.187 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)cc1 ZINC001461502879 1063540248 /nfs/dbraw/zinc/54/02/48/1063540248.db2.gz VPNJWSHDDCGZJO-UHFFFAOYSA-N 1 0 322.427 4.492 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(OC)c(OC)cc2F)CCCCC1 ZINC001461500552 1063540789 /nfs/dbraw/zinc/54/07/89/1063540789.db2.gz JVFSQDVCWOBZFU-UHFFFAOYSA-N 1 0 307.409 4.212 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc3cccc(C)c3nc2Cl)cc1 ZINC001461511784 1063545349 /nfs/dbraw/zinc/54/53/49/1063545349.db2.gz CGIAMHDFPXQZKF-UHFFFAOYSA-N 1 0 320.823 4.468 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC001461538384 1063567369 /nfs/dbraw/zinc/56/73/69/1063567369.db2.gz OXSYFJJBUGZBPA-OAHLLOKOSA-N 1 0 306.400 4.480 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001258228806 1063569219 /nfs/dbraw/zinc/56/92/19/1063569219.db2.gz KBIKTARYDCJCAW-ROUUACIJSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]Cc1cc2n(n1)CCCO2 ZINC001258227796 1063569854 /nfs/dbraw/zinc/56/98/54/1063569854.db2.gz BCWDZWAMFBJVFW-MRXNPFEDSA-N 1 0 307.482 4.284 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC001258231425 1063571166 /nfs/dbraw/zinc/57/11/66/1063571166.db2.gz NVDZSWXBJIEPFU-IEBWSBKVSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001258231282 1063571396 /nfs/dbraw/zinc/57/13/96/1063571396.db2.gz MBOXPEDXSLMLTD-OALUTQOASA-N 1 0 324.553 4.359 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001258232205 1063571660 /nfs/dbraw/zinc/57/16/60/1063571660.db2.gz CDJBOHKAFJQXIC-IRXDYDNUSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CC2)C1 ZINC001258231671 1063571768 /nfs/dbraw/zinc/57/17/68/1063571768.db2.gz SPDXLOPKWAZGMO-WMZOPIPTSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCN(c2ccncn2)C1 ZINC001258230854 1063571818 /nfs/dbraw/zinc/57/18/18/1063571818.db2.gz COWFPLBCPRQQSW-ZWKOTPCHSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001258232500 1063572092 /nfs/dbraw/zinc/57/20/92/1063572092.db2.gz SQQIDBJNFMLXRB-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001258232187 1063572194 /nfs/dbraw/zinc/57/21/94/1063572194.db2.gz BHIHIWAJCBTRRY-INIZCTEOSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001258232612 1063574712 /nfs/dbraw/zinc/57/47/12/1063574712.db2.gz XRMCPABQRZZUPN-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCCCCCC1)CC2 ZINC001258240368 1063576319 /nfs/dbraw/zinc/57/63/19/1063576319.db2.gz QOOHGFHSNIRSKA-HXUWFJFHSA-N 1 0 318.505 4.132 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCCCCCC1)C2 ZINC001258240880 1063579030 /nfs/dbraw/zinc/57/90/30/1063579030.db2.gz UPBVPVRJKLFQGM-VQTJNVASSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1CCCC(C)(C)C1)C2 ZINC001258286134 1063587066 /nfs/dbraw/zinc/58/70/66/1063587066.db2.gz GXOFDLFGGKRRQK-CMKODMSKSA-N 1 0 321.505 4.029 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCC(C)(C)C2)cc(OC)c1O ZINC001461577043 1063588676 /nfs/dbraw/zinc/58/86/76/1063588676.db2.gz AOIXKDTUSJWOCR-HNNXBMFYSA-N 1 0 317.473 4.435 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC001461576088 1063589369 /nfs/dbraw/zinc/58/93/69/1063589369.db2.gz AVILFXGIJJGVKL-HZPDHXFCSA-N 1 0 317.860 4.268 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)cc(OC)c1O ZINC001461581357 1063591527 /nfs/dbraw/zinc/59/15/27/1063591527.db2.gz RMNXKTSMSBLRML-HLLBOEOZSA-N 1 0 317.473 4.434 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)c1 ZINC001461581127 1063591942 /nfs/dbraw/zinc/59/19/42/1063591942.db2.gz LBURLCNQBRGVLE-UHFFFAOYSA-N 1 0 321.754 4.213 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c1 ZINC001461583488 1063593228 /nfs/dbraw/zinc/59/32/28/1063593228.db2.gz UITDGWLZCRQSAU-QUCCMNQESA-N 1 0 312.457 4.285 20 30 DIEDRO CCCCCN(C)c1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001461595453 1063604230 /nfs/dbraw/zinc/60/42/30/1063604230.db2.gz RGTJNGCJIYCFMX-MAUKXSAKSA-N 1 0 317.452 4.234 20 30 DIEDRO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001258315084 1063604881 /nfs/dbraw/zinc/60/48/81/1063604881.db2.gz ATHOHZGCBDRKFC-RHSMWYFYSA-N 1 0 306.475 4.306 20 30 DIEDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001461619033 1063616984 /nfs/dbraw/zinc/61/69/84/1063616984.db2.gz DBIDSKNBIFZAMT-MGPUTAFESA-N 1 0 304.437 4.306 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cccc(OC)c2OC)CCCC1 ZINC001461633884 1063626761 /nfs/dbraw/zinc/62/67/61/1063626761.db2.gz SHUGGFRYNNBMJJ-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO CC(C)([NH2+]Cc1cc(F)cc(Cl)c1)c1cccc(C#N)c1 ZINC001461635385 1063628409 /nfs/dbraw/zinc/62/84/09/1063628409.db2.gz RQBFBIFHZKNJLN-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001461635337 1063628660 /nfs/dbraw/zinc/62/86/60/1063628660.db2.gz XNJPMRNHXVSAOK-DYVFJYSZSA-N 1 0 308.416 4.255 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C2CC(C)(C)C2)cc1OC ZINC001461644787 1063631933 /nfs/dbraw/zinc/63/19/33/1063631933.db2.gz FGRDJTABNKLOOI-UHFFFAOYSA-N 1 0 309.837 4.192 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2=CCCC2)c1 ZINC001461644544 1063631950 /nfs/dbraw/zinc/63/19/50/1063631950.db2.gz WGSFFBJNDKFDGQ-UHFFFAOYSA-N 1 0 318.420 4.337 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCc3c2cccc3C#N)cc1 ZINC001258392742 1063635480 /nfs/dbraw/zinc/63/54/80/1063635480.db2.gz FSBATTSJYQKFHM-YCRPNKLZSA-N 1 0 320.436 4.165 20 30 DIEDRO COc1ccc(CC[C@@H](C)NC(=[NH2+])c2ccc(C)c(C)c2)cc1 ZINC001258396280 1063637432 /nfs/dbraw/zinc/63/74/32/1063637432.db2.gz NTDHIQUGZWFJJX-MRXNPFEDSA-N 1 0 310.441 4.039 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OC)c(OCC(=C)C)c1 ZINC001461656361 1063640934 /nfs/dbraw/zinc/64/09/34/1063640934.db2.gz NCIURULQMDBPAJ-UHFFFAOYSA-N 1 0 303.446 4.342 20 30 DIEDRO COc1ccc(CC[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC001258406222 1063642922 /nfs/dbraw/zinc/64/29/22/1063642922.db2.gz PPRSRKGNZHGXHV-MRXNPFEDSA-N 1 0 308.425 4.020 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)cs1 ZINC001461683437 1063654228 /nfs/dbraw/zinc/65/42/28/1063654228.db2.gz MAQLCZKSTTZCDM-INIZCTEOSA-N 1 0 302.830 4.440 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](CC)CCCCC)C2 ZINC001258441974 1063656106 /nfs/dbraw/zinc/65/61/06/1063656106.db2.gz VDJMAERFVOWAFV-GBESFXJTSA-N 1 0 309.494 4.171 20 30 DIEDRO C[C@@H](CC#N)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001461725310 1063679132 /nfs/dbraw/zinc/67/91/32/1063679132.db2.gz XPCIIMKMTDGQMO-ZDUSSCGKSA-N 1 0 302.462 4.379 20 30 DIEDRO C=CCc1cc(C[NH2+]CCCC(C)(C)C=C)cc(OC)c1O ZINC001461733584 1063685537 /nfs/dbraw/zinc/68/55/37/1063685537.db2.gz MYBRLPLSNVIMFB-UHFFFAOYSA-N 1 0 303.446 4.211 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(OC)cc1OC(F)F ZINC001461733732 1063685665 /nfs/dbraw/zinc/68/56/65/1063685665.db2.gz RGVWUZRSTJQYKX-UHFFFAOYSA-N 1 0 313.388 4.379 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC001461733647 1063686291 /nfs/dbraw/zinc/68/62/91/1063686291.db2.gz NXXUKILTTPYIIL-UHFFFAOYSA-N 1 0 315.436 4.402 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258564396 1063694142 /nfs/dbraw/zinc/69/41/42/1063694142.db2.gz IQTYDRUKSXNJEC-MRXNPFEDSA-N 1 0 324.509 4.453 20 30 DIEDRO C#CCN1CCC[C@@H]([NH2+]C/C(=C\c2ccccc2)CCCCC)C1 ZINC001461751201 1063696041 /nfs/dbraw/zinc/69/60/41/1063696041.db2.gz FFQVVXPBRGWWBX-LFPSXHGSSA-N 1 0 324.512 4.338 20 30 DIEDRO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001258657591 1063728072 /nfs/dbraw/zinc/72/80/72/1063728072.db2.gz ROZJPPGLDTVYJL-NRFANRHFSA-N 1 0 304.437 4.328 20 30 DIEDRO C=CC(C)(C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001461813031 1063731532 /nfs/dbraw/zinc/73/15/32/1063731532.db2.gz SKXWHBITIFQOAK-UHFFFAOYSA-N 1 0 300.471 4.439 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@H](CCC)CCCCC)C2)C1=O ZINC001258670138 1063737860 /nfs/dbraw/zinc/73/78/60/1063737860.db2.gz YEHAROAMFLFIBW-UYAOXDASSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H](CCC)CCCCC)CC2 ZINC001258668906 1063738961 /nfs/dbraw/zinc/73/89/61/1063738961.db2.gz GDNWHLQTVOMIBT-SFHVURJKSA-N 1 0 320.521 4.378 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH+]1CCC(S)CC1 ZINC001258684043 1063750020 /nfs/dbraw/zinc/75/00/20/1063750020.db2.gz MHYYOYLPSQYEEC-JTQLQIEISA-N 1 0 304.286 4.319 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC001461854799 1063750688 /nfs/dbraw/zinc/75/06/88/1063750688.db2.gz VFMZFMIILBCVAB-SFHVURJKSA-N 1 0 310.416 4.459 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCc2ccccc2C1 ZINC001461868724 1063759023 /nfs/dbraw/zinc/75/90/23/1063759023.db2.gz DZVVKPAEABWYIS-LJQANCHMSA-N 1 0 321.464 4.488 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001461875240 1063765485 /nfs/dbraw/zinc/76/54/85/1063765485.db2.gz PAFRACXTCQHFKL-HXUWFJFHSA-N 1 0 323.415 4.100 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+][C@@H](CO)c1cccnc1 ZINC001258714325 1063770537 /nfs/dbraw/zinc/77/05/37/1063770537.db2.gz LPAJKBKBSMHZOW-MOPGFXCFSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC001258714696 1063771059 /nfs/dbraw/zinc/77/10/59/1063771059.db2.gz UJJOOZLHEXYMIK-LJQANCHMSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@H]1CCN(C(C)=O)C1 ZINC001258714652 1063771184 /nfs/dbraw/zinc/77/11/84/1063771184.db2.gz SJBLVBGWDBEWDS-RTBURBONSA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCC(C(=O)NC)CC1 ZINC001258714073 1063771211 /nfs/dbraw/zinc/77/12/11/1063771211.db2.gz HIYHYLFUXWRUAN-SFHVURJKSA-N 1 0 310.526 4.220 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258716978 1063772573 /nfs/dbraw/zinc/77/25/73/1063772573.db2.gz IZXDUDPYLZHIND-HZPDHXFCSA-N 1 0 322.493 4.110 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@H](O)c1cccnc1 ZINC001258715991 1063773584 /nfs/dbraw/zinc/77/35/84/1063773584.db2.gz PQMUIWVHMDJFFZ-RBUKOAKNSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1CCCN(C(C)=O)C1 ZINC001258716254 1063773599 /nfs/dbraw/zinc/77/35/99/1063773599.db2.gz WCWPBMAPLCKRPV-RTBURBONSA-N 1 0 310.526 4.362 20 30 DIEDRO C=CCC[C@H](C)n1cc(CC[NH3+])c2cc(Br)ccc21 ZINC001258718167 1063774431 /nfs/dbraw/zinc/77/44/31/1063774431.db2.gz IJTXFURFAWTHAF-LBPRGKRZSA-N 1 0 321.262 4.432 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1NC(=O)OC(C)(C)C ZINC001258717878 1063774940 /nfs/dbraw/zinc/77/49/40/1063774940.db2.gz XGCYDQLRLUVKTQ-AWEZNQCLSA-N 1 0 304.434 4.478 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC001258717950 1063775023 /nfs/dbraw/zinc/77/50/23/1063775023.db2.gz AAJQXLQHAFHKAI-ZDUSSCGKSA-N 1 0 302.443 4.263 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001258717354 1063775420 /nfs/dbraw/zinc/77/54/20/1063775420.db2.gz PWZUNWZWQDZOTA-HNNXBMFYSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1c(F)c(F)cc(Br)c1F ZINC001258717661 1063775492 /nfs/dbraw/zinc/77/54/92/1063775492.db2.gz WSYGFBIYIYJCBD-MRVPVSSYSA-N 1 0 322.168 4.311 20 30 DIEDRO CNc1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001461884285 1063775564 /nfs/dbraw/zinc/77/55/64/1063775564.db2.gz SCIFNSQKVZCTKM-UYAOXDASSA-N 1 0 305.425 4.000 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001461884198 1063776078 /nfs/dbraw/zinc/77/60/78/1063776078.db2.gz ROWCKNRUNHWFQZ-FGZHOGPDSA-N 1 0 316.448 4.447 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2cccc(Cl)c2)CC1 ZINC001258723027 1063775940 /nfs/dbraw/zinc/77/59/40/1063775940.db2.gz QHEFGGABLWRKLS-OAHLLOKOSA-N 1 0 306.881 4.249 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2cc(C)ccc2F)CC1 ZINC001258723067 1063775991 /nfs/dbraw/zinc/77/59/91/1063775991.db2.gz QXSRSSWHXXXUFF-MRXNPFEDSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2cccc(Cl)c2F)CC1 ZINC001258722060 1063776044 /nfs/dbraw/zinc/77/60/44/1063776044.db2.gz BPNCAKIUWWGUBY-CQSZACIVSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001258720825 1063776123 /nfs/dbraw/zinc/77/61/23/1063776123.db2.gz GVRUOPOVDWWLER-AEFFLSMTSA-N 1 0 317.473 4.274 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2ccc(C)cc2F)CC1 ZINC001258722117 1063776153 /nfs/dbraw/zinc/77/61/53/1063776153.db2.gz CMKMCZRXHBEURM-INIZCTEOSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(N2CCCCCC2=O)cc1 ZINC001258722703 1063776536 /nfs/dbraw/zinc/77/65/36/1063776536.db2.gz MDYJLSXTJLVQHW-MRXNPFEDSA-N 1 0 300.446 4.038 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@]12CC(C)=C[C@@H](Cc3[nH]c(=O)ccc31)/C2=C\C ZINC001258723288 1063777046 /nfs/dbraw/zinc/77/70/46/1063777046.db2.gz YTCQDWBLOXCUAV-GAMMMOKQSA-N 1 0 324.468 4.395 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(OCC2CCOCC2)c(F)c1 ZINC001258724126 1063778438 /nfs/dbraw/zinc/77/84/38/1063778438.db2.gz NQSZNYAHMPDNQB-OAHLLOKOSA-N 1 0 321.436 4.075 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](c1nc2ccccc2n1C)c1cccnc1 ZINC001258725271 1063778486 /nfs/dbraw/zinc/77/84/86/1063778486.db2.gz INBQFSCSJUIURL-KXBFYZLASA-N 1 0 320.440 4.002 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258726822 1063778880 /nfs/dbraw/zinc/77/88/80/1063778880.db2.gz XJTGRMMLKGFZGR-LPHOPBHVSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001258725562 1063779171 /nfs/dbraw/zinc/77/91/71/1063779171.db2.gz LUVLJATXICPIBO-MDCZIUGASA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC001258725369 1063779704 /nfs/dbraw/zinc/77/97/04/1063779704.db2.gz KRTFNIXMGXLJAU-MSOLQXFVSA-N 1 0 314.473 4.451 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1(Cc2ccccc2Cl)CCOCC1 ZINC001258724245 1063779917 /nfs/dbraw/zinc/77/99/17/1063779917.db2.gz RIKRZIAKNMFWDM-OAHLLOKOSA-N 1 0 307.865 4.376 20 30 DIEDRO C=CCC[C@@H](C)[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC001258732742 1063780541 /nfs/dbraw/zinc/78/05/41/1063780541.db2.gz BQIPPHSFUSQCQO-OAHLLOKOSA-N 1 0 303.446 4.197 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(COc2cccc(OC)c2)CC1 ZINC001258732428 1063780686 /nfs/dbraw/zinc/78/06/86/1063780686.db2.gz LLFOGVCRVJIJDE-MRXNPFEDSA-N 1 0 303.446 4.141 20 30 DIEDRO C=CCC[C@H](C)[N@H+]1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001258731237 1063780722 /nfs/dbraw/zinc/78/07/22/1063780722.db2.gz BTYZXHWQOICAAS-QXAKKESOSA-N 1 0 315.457 4.152 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001258728636 1063781160 /nfs/dbraw/zinc/78/11/60/1063781160.db2.gz PNPXGWGCAYHNAR-AWEZNQCLSA-N 1 0 301.405 4.100 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001258731013 1063781216 /nfs/dbraw/zinc/78/12/16/1063781216.db2.gz TYJUCBABCSSTCW-XLIONFOSSA-N 1 0 316.464 4.221 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001258730460 1063781424 /nfs/dbraw/zinc/78/14/24/1063781424.db2.gz HTPUSMHYZVHNJD-YSIASYRMSA-N 1 0 321.505 4.171 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC2(CC1)OC(=O)c1cc(Cl)ccc12 ZINC001258733209 1063782653 /nfs/dbraw/zinc/78/26/53/1063782653.db2.gz WHXIWCZKAHVCEF-ZDUSSCGKSA-N 1 0 319.832 4.156 20 30 DIEDRO C=CCC[C@H](C)[N@@H+](C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734189 1063783210 /nfs/dbraw/zinc/78/32/10/1063783210.db2.gz UVINRVLGFYPBKC-HOTGVXAUSA-N 1 0 310.482 4.061 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(N(C)Cc2ccc(F)cc2)CC1 ZINC001258733481 1063783877 /nfs/dbraw/zinc/78/38/77/1063783877.db2.gz GTLQZUXSGKOJRZ-MRXNPFEDSA-N 1 0 304.453 4.077 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+](CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001258733482 1063784330 /nfs/dbraw/zinc/78/43/30/1063784330.db2.gz DYPQTAAPCOFAGB-OAHLLOKOSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[C@@H](C)[N@H+](CCC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258735730 1063785212 /nfs/dbraw/zinc/78/52/12/1063785212.db2.gz AGFNDMPKAGWLPK-IAGOWNOFSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@H](CCC)CCCC)C2)CC1 ZINC001258760473 1063805827 /nfs/dbraw/zinc/80/58/27/1063805827.db2.gz PZENXSLINOHQAM-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC001461935422 1063821181 /nfs/dbraw/zinc/82/11/81/1063821181.db2.gz FXPWZIIYLQSPIU-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](CC)C[C@@H](C)CC)CC2 ZINC001258793245 1063831788 /nfs/dbraw/zinc/83/17/88/1063831788.db2.gz MFAGJSOLYQUFCJ-NSHGMRRFSA-N 1 0 320.521 4.234 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC001461950180 1063836131 /nfs/dbraw/zinc/83/61/31/1063836131.db2.gz SLVYAWLAFCHNDD-WOJBJXKFSA-N 1 0 314.473 4.223 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC(C(C)C)CC1)C2 ZINC001258803524 1063836332 /nfs/dbraw/zinc/83/63/32/1063836332.db2.gz BTGZWQSHGQWIJH-GHBBCFCZSA-N 1 0 321.505 4.027 20 30 DIEDRO CC[C@@H](Cc1ccccc1)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001258839580 1063860088 /nfs/dbraw/zinc/86/00/88/1063860088.db2.gz GZRYEHFUYRPSSN-IBGZPJMESA-N 1 0 318.420 4.272 20 30 DIEDRO CC[C@H](Cc1ccccc1)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001258839581 1063860442 /nfs/dbraw/zinc/86/04/42/1063860442.db2.gz GZRYEHFUYRPSSN-LJQANCHMSA-N 1 0 318.420 4.272 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(C(=O)OC)cc1)CC1CCCCC1 ZINC001461989845 1063861257 /nfs/dbraw/zinc/86/12/57/1063861257.db2.gz SFCOXSBTIKBZOG-UHFFFAOYSA-N 1 0 301.430 4.042 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)CC3 ZINC001461992486 1063864596 /nfs/dbraw/zinc/86/45/96/1063864596.db2.gz MPTSNJRLQHXOBT-GJZGRUSLSA-N 1 0 309.457 4.252 20 30 DIEDRO CCCCCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CNC(=O)C1 ZINC001258875424 1063867082 /nfs/dbraw/zinc/86/70/82/1063867082.db2.gz CIAWDDAOEXVGFP-QZTJIDSGSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCCCCCC[C@H](CC)[NH2+]C[C@@H]1CNC(=O)C1 ZINC001258875422 1063867317 /nfs/dbraw/zinc/86/73/17/1063867317.db2.gz CIAWDDAOEXVGFP-MSOLQXFVSA-N 1 0 310.526 4.412 20 30 DIEDRO COc1ccccc1C[C@@H](C)[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001258878906 1063869937 /nfs/dbraw/zinc/86/99/37/1063869937.db2.gz CZJIBHMXTRBDOE-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC001462010338 1063877904 /nfs/dbraw/zinc/87/79/04/1063877904.db2.gz RUOMNLYUIZMKSH-UHFFFAOYSA-N 1 0 319.448 4.218 20 30 DIEDRO Cc1ccccc1OCC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC001462028740 1063888604 /nfs/dbraw/zinc/88/86/04/1063888604.db2.gz YBBMYMCFZRVTFV-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO N#Cc1cccc(N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC001462027368 1063888630 /nfs/dbraw/zinc/88/86/30/1063888630.db2.gz IIVJCVUSMQYYIX-PZJWPPBQSA-N 1 0 317.436 4.338 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC#Cc1ccccc1 ZINC001462095594 1063926139 /nfs/dbraw/zinc/92/61/39/1063926139.db2.gz SMUPXDCJDWTFEL-UHFFFAOYSA-N 1 0 303.327 4.155 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC001262111481 1063957413 /nfs/dbraw/zinc/95/74/13/1063957413.db2.gz HNUVQKGPFCJQFA-JSGCOSHPSA-N 1 0 322.861 4.021 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC001262111480 1063957725 /nfs/dbraw/zinc/95/77/25/1063957725.db2.gz HNUVQKGPFCJQFA-GXTWGEPZSA-N 1 0 322.861 4.021 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1c(C)noc1C ZINC001262257354 1063960443 /nfs/dbraw/zinc/96/04/43/1063960443.db2.gz IRVBVOQTNMTQPE-HNNXBMFYSA-N 1 0 303.793 4.057 20 30 DIEDRO CCCCCCCCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001264771887 1064130123 /nfs/dbraw/zinc/13/01/23/1064130123.db2.gz DCYHOJURCZDSJE-UHFFFAOYSA-N 1 0 315.461 4.465 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cncc(F)c1 ZINC000611622386 1064170120 /nfs/dbraw/zinc/17/01/20/1064170120.db2.gz VFOINJNALFPTAF-APMMTJHUSA-N 1 0 323.415 4.275 20 30 DIEDRO CCCCCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001265256681 1064210465 /nfs/dbraw/zinc/21/04/65/1064210465.db2.gz FYXRKXBSYOQBSV-IBGZPJMESA-N 1 0 316.489 4.128 20 30 DIEDRO CCCCCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001265256682 1064210499 /nfs/dbraw/zinc/21/04/99/1064210499.db2.gz FYXRKXBSYOQBSV-LJQANCHMSA-N 1 0 316.489 4.128 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000701920793 1064273908 /nfs/dbraw/zinc/27/39/08/1064273908.db2.gz RUMMGTGAJFZCJS-UHFFFAOYSA-N 1 0 300.215 4.280 20 30 DIEDRO C=CCCCC[NH+]1CCC2(CCC(CC(=O)N(C)C)CC2)CC1 ZINC001279719883 1064365076 /nfs/dbraw/zinc/36/50/76/1064365076.db2.gz JEWWGIIHUMKNAM-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO CCCC[C@@H](CC)C[N@@H+]1CCC12CN(c1ccccc1C#N)C2 ZINC001279746367 1064365837 /nfs/dbraw/zinc/36/58/37/1064365837.db2.gz VDLODMCWQFPFSW-QGZVFWFLSA-N 1 0 311.473 4.039 20 30 DIEDRO C#CCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC001279750153 1064366276 /nfs/dbraw/zinc/36/62/76/1064366276.db2.gz RLEDNIAVAQVHNW-CDXJDZJCSA-N 1 0 324.468 4.016 20 30 DIEDRO CCCC[C@@H](CC)C[N@@H+]1CCC12CN(c1ccc(C#N)cc1)C2 ZINC001279744900 1064367073 /nfs/dbraw/zinc/36/70/73/1064367073.db2.gz WZLDSMWPYPRTAX-QGZVFWFLSA-N 1 0 311.473 4.039 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001292338181 1064768817 /nfs/dbraw/zinc/76/88/17/1064768817.db2.gz PHQVKYCWUFWWBA-OALUTQOASA-N 1 0 322.537 4.460 20 30 DIEDRO C=C(C)CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001292378473 1064770929 /nfs/dbraw/zinc/77/09/29/1064770929.db2.gz PMOLNCIGPQPBIL-UHFFFAOYSA-N 1 0 314.473 4.035 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC001295758848 1064926181 /nfs/dbraw/zinc/92/61/81/1064926181.db2.gz YENFTYAWUTVOOO-ZWKOTPCHSA-N 1 0 310.526 4.458 20 30 DIEDRO N#Cc1ccc(C[N@H+](CC2CCCCC2)C2CC2)c([N+](=O)[O-])c1 ZINC001307422407 1065382818 /nfs/dbraw/zinc/38/28/18/1065382818.db2.gz LRTQUSQIOWIUAH-UHFFFAOYSA-N 1 0 313.401 4.011 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C1CC(OC(C)(C)C)C1 ZINC001307422894 1065382897 /nfs/dbraw/zinc/38/28/97/1065382897.db2.gz AFLAVSNHWMINLB-UHFFFAOYSA-N 1 0 303.446 4.029 20 30 DIEDRO CCCCCCCCC[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001307426530 1065386701 /nfs/dbraw/zinc/38/67/01/1065386701.db2.gz BHZAZOWRJRWOLW-UHFFFAOYSA-N 1 0 312.498 4.288 20 30 DIEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001307434754 1065394995 /nfs/dbraw/zinc/39/49/95/1065394995.db2.gz YLTNMHSNTPHYMP-IUODEOHRSA-N 1 0 308.372 4.170 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCOc1ccccc1C#N ZINC001307440309 1065401694 /nfs/dbraw/zinc/40/16/94/1065401694.db2.gz MFRRQUBIJNPDAB-IBGZPJMESA-N 1 0 308.425 4.410 20 30 DIEDRO C#CCC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C ZINC001307442377 1065402053 /nfs/dbraw/zinc/40/20/53/1065402053.db2.gz PBSZWWRTAMZYFN-LZLYRXPVSA-N 1 0 313.441 4.065 20 30 DIEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001307450148 1065407366 /nfs/dbraw/zinc/40/73/66/1065407366.db2.gz KVVVCLJABSQDHE-OAHLLOKOSA-N 1 0 321.262 4.331 20 30 DIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(C)C)c1 ZINC001307454439 1065410617 /nfs/dbraw/zinc/41/06/17/1065410617.db2.gz UOIHXBURDPLSAF-UHFFFAOYSA-N 1 0 322.452 4.330 20 30 DIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001307459131 1065412337 /nfs/dbraw/zinc/41/23/37/1065412337.db2.gz MCQGMMKRMZSAIM-FQEVSTJZSA-N 1 0 323.411 4.413 20 30 DIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC001307459325 1065413241 /nfs/dbraw/zinc/41/32/41/1065413241.db2.gz ODRQJARWLMBDMO-HXUWFJFHSA-N 1 0 307.412 4.132 20 30 DIEDRO C=CC1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC001307471212 1065419823 /nfs/dbraw/zinc/41/98/23/1065419823.db2.gz CIZCWQLTYZFTBE-UHFFFAOYSA-N 1 0 320.436 4.190 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC001307473459 1065421098 /nfs/dbraw/zinc/42/10/98/1065421098.db2.gz YBZRLKWVMMASOG-OAHLLOKOSA-N 1 0 312.844 4.469 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC001307476916 1065422906 /nfs/dbraw/zinc/42/29/06/1065422906.db2.gz BDLIGUBPLZJOHO-HXUWFJFHSA-N 1 0 320.436 4.082 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC001307486187 1065432480 /nfs/dbraw/zinc/43/24/80/1065432480.db2.gz RZDPATRQJKYRGN-UHFFFAOYSA-N 1 0 309.475 4.214 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001307502170 1065446692 /nfs/dbraw/zinc/44/66/92/1065446692.db2.gz SFFPOGQHWAABKP-MRXNPFEDSA-N 1 0 312.498 4.288 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001307502169 1065446907 /nfs/dbraw/zinc/44/69/07/1065446907.db2.gz SFFPOGQHWAABKP-INIZCTEOSA-N 1 0 312.498 4.288 20 30 DIEDRO CCC(CC)[N@H+](CCOc1ccc(C#N)cc1OC)CC(C)C ZINC001307512104 1065453808 /nfs/dbraw/zinc/45/38/08/1065453808.db2.gz RMFAMTGHMXKWOX-UHFFFAOYSA-N 1 0 318.461 4.092 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)s1 ZINC001307515777 1065455200 /nfs/dbraw/zinc/45/52/00/1065455200.db2.gz URUCWXGGUDXSFN-FQEVSTJZSA-N 1 0 322.477 4.490 20 30 DIEDRO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC001307515093 1065456112 /nfs/dbraw/zinc/45/61/12/1065456112.db2.gz XBKBGIHUXBSLOT-UZLBHIALSA-N 1 0 306.409 4.020 20 30 DIEDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1C ZINC001307524544 1065462904 /nfs/dbraw/zinc/46/29/04/1065462904.db2.gz LDFBANWTJGWCDN-HXUWFJFHSA-N 1 0 319.452 4.097 20 30 DIEDRO N#Cc1ccc(CC[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC001307533543 1065469243 /nfs/dbraw/zinc/46/92/43/1065469243.db2.gz ZRXGNODBVIIQBY-UHFFFAOYSA-N 1 0 312.416 4.480 20 30 DIEDRO C=CCCCCC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001307555336 1065480453 /nfs/dbraw/zinc/48/04/53/1065480453.db2.gz RCWYNSJXJHIWGG-UHFFFAOYSA-N 1 0 324.472 4.398 20 30 DIEDRO C#CCCCCCC[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC001307566403 1065485523 /nfs/dbraw/zinc/48/55/23/1065485523.db2.gz ZVBUERQTDDVBIZ-IBGZPJMESA-N 1 0 324.509 4.099 20 30 DIEDRO C=C(Cl)CN1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001307580467 1065494212 /nfs/dbraw/zinc/49/42/12/1065494212.db2.gz VWMGAHZARPSTDC-UHFFFAOYSA-N 1 0 318.892 4.260 20 30 DIEDRO CO[C@@H](C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc(F)cc1 ZINC001307606931 1065512530 /nfs/dbraw/zinc/51/25/30/1065512530.db2.gz URZVMDNUTDSDAE-FQEVSTJZSA-N 1 0 324.399 4.049 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC001307612905 1065517253 /nfs/dbraw/zinc/51/72/53/1065517253.db2.gz LTMZNLRKMNVBJX-UHFFFAOYSA-N 1 0 318.420 4.165 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1oc(-c2ccccc2)nc1C ZINC001307620350 1065521741 /nfs/dbraw/zinc/52/17/41/1065521741.db2.gz GEYRJJCESFQJLY-UHFFFAOYSA-N 1 0 322.408 4.474 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001307619945 1065521814 /nfs/dbraw/zinc/52/18/14/1065521814.db2.gz JZCSOXOLDPMLMX-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1cccc(F)c1F ZINC001307635359 1065533006 /nfs/dbraw/zinc/53/30/06/1065533006.db2.gz SHCMYAOYGNHVSM-CYBMUJFWSA-N 1 0 300.352 4.304 20 30 DIEDRO Cc1ccc(C)c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001307648188 1065539775 /nfs/dbraw/zinc/53/97/75/1065539775.db2.gz YYYMQLXUPMXNIF-UHFFFAOYSA-N 1 0 302.421 4.464 20 30 DIEDRO CC(C)(C)C[NH+](CCOc1cccc(C#N)c1)CC(C)(C)C ZINC001307650018 1065541737 /nfs/dbraw/zinc/54/17/37/1065541737.db2.gz RKPPQRAGYVVJKU-UHFFFAOYSA-N 1 0 302.462 4.331 20 30 DIEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001307654000 1065545490 /nfs/dbraw/zinc/54/54/90/1065545490.db2.gz AMHBPDPKBUIAMZ-NRFANRHFSA-N 1 0 304.437 4.198 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001307674988 1065555577 /nfs/dbraw/zinc/55/55/77/1065555577.db2.gz NNHAISIUOGPPJN-GCKMJXCFSA-N 1 0 320.436 4.301 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2cnn(Cc3ccccc3)c2)CCCC1(C)C ZINC001307730372 1065591075 /nfs/dbraw/zinc/59/10/75/1065591075.db2.gz XMFMSJFYMZHYFB-FQEVSTJZSA-N 1 0 323.484 4.498 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1 ZINC001307742925 1065598050 /nfs/dbraw/zinc/59/80/50/1065598050.db2.gz UWPKNBISSLPGSH-IBGZPJMESA-N 1 0 315.844 4.452 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC001307741979 1065599170 /nfs/dbraw/zinc/59/91/70/1065599170.db2.gz MJVLWBDNDCGUBO-GOSISDBHSA-N 1 0 320.436 4.173 20 30 DIEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001307741947 1065599784 /nfs/dbraw/zinc/59/97/84/1065599784.db2.gz NAMDEBZNGLQSCB-AEFFLSMTSA-N 1 0 312.457 4.228 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C12CCCC2 ZINC001307753076 1065606425 /nfs/dbraw/zinc/60/64/25/1065606425.db2.gz SXWFVRPSGSMQQT-MSOLQXFVSA-N 1 0 317.860 4.019 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC001307762335 1065608782 /nfs/dbraw/zinc/60/87/82/1065608782.db2.gz JKWMGTPBCINLAN-INIZCTEOSA-N 1 0 311.828 4.018 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC001307781306 1065617761 /nfs/dbraw/zinc/61/77/61/1065617761.db2.gz HMUOINPXNPANKN-KRWDZBQOSA-N 1 0 316.242 4.494 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC001307802900 1065628217 /nfs/dbraw/zinc/62/82/17/1065628217.db2.gz PWPDXMQOKWNLOD-SPYBWZPUSA-N 1 0 308.400 4.464 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC001307802910 1065629364 /nfs/dbraw/zinc/62/93/64/1065629364.db2.gz PWPDXMQOKWNLOD-ZRGWGRIASA-N 1 0 308.400 4.464 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[NH+](C2CCC2)C2CCC2)cc1 ZINC001307811023 1065633112 /nfs/dbraw/zinc/63/31/12/1065633112.db2.gz PBQKQZYAQKBTDB-UHFFFAOYSA-N 1 0 323.358 4.344 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC001307813973 1065633904 /nfs/dbraw/zinc/63/39/04/1065633904.db2.gz ZNSDWNBTSGQJJD-FQEVSTJZSA-N 1 0 321.480 4.413 20 30 DIEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001307824873 1065639844 /nfs/dbraw/zinc/63/98/44/1065639844.db2.gz AUUOARTZPRQVBS-WBMJQRKESA-N 1 0 321.262 4.379 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC001307829937 1065641621 /nfs/dbraw/zinc/64/16/21/1065641621.db2.gz UEHADYZIHIWHTH-MRXNPFEDSA-N 1 0 310.416 4.377 20 30 DIEDRO C[C@@](Cc1ccccc1)([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC001307846611 1065650179 /nfs/dbraw/zinc/65/01/79/1065650179.db2.gz XYEOZFACLBNOGY-FQEVSTJZSA-N 1 0 304.437 4.428 20 30 DIEDRO C#CC[C@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC001307873243 1065665083 /nfs/dbraw/zinc/66/50/83/1065665083.db2.gz UJOHXKHEOXEKOG-SFHVURJKSA-N 1 0 307.437 4.344 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001307906129 1065676275 /nfs/dbraw/zinc/67/62/75/1065676275.db2.gz QPSAWIKUEUTZKK-FQEVSTJZSA-N 1 0 322.427 4.337 20 30 DIEDRO C[C@H](CSc1ccccc1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001307907600 1065678172 /nfs/dbraw/zinc/67/81/72/1065678172.db2.gz MUEYSURWCHNDSX-CQSZACIVSA-N 1 0 314.429 4.310 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001307923180 1065684367 /nfs/dbraw/zinc/68/43/67/1065684367.db2.gz FOBJFNQLNKYBLY-IUODEOHRSA-N 1 0 308.809 4.473 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC001307924509 1065684688 /nfs/dbraw/zinc/68/46/88/1065684688.db2.gz RKCRJLHSZARAPF-WBVHZDCISA-N 1 0 311.429 4.270 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)sc1C ZINC001307925014 1065684925 /nfs/dbraw/zinc/68/49/25/1065684925.db2.gz VTWDBOZDDJFIGQ-DZGCQCFKSA-N 1 0 307.459 4.068 20 30 DIEDRO C=CC[N@@H+](CCOc1ccccc1Br)C(C)(C)C ZINC001307938584 1065690593 /nfs/dbraw/zinc/69/05/93/1065690593.db2.gz LQAYFOBBZJSCBH-UHFFFAOYSA-N 1 0 312.251 4.114 20 30 DIEDRO C=CC[N@@H+](CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)C(C)(C)C ZINC001307939493 1065691399 /nfs/dbraw/zinc/69/13/99/1065691399.db2.gz UEECGKSRGLJVFN-OAHLLOKOSA-N 1 0 320.452 4.022 20 30 DIEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@]1(C)Cc1cccc2ccccc21 ZINC001307951486 1065697650 /nfs/dbraw/zinc/69/76/50/1065697650.db2.gz JLNSJXFSAFARAB-UWJYYQICSA-N 1 0 322.452 4.165 20 30 DIEDRO CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001307988145 1065712426 /nfs/dbraw/zinc/71/24/26/1065712426.db2.gz KFRHLWIFDUTLMR-FXAWDEMLSA-N 1 0 311.473 4.155 20 30 DIEDRO C=C(CC)C[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001307983696 1065712959 /nfs/dbraw/zinc/71/29/59/1065712959.db2.gz UGVIVAHJSZGSBO-HNNXBMFYSA-N 1 0 301.261 4.152 20 30 DIEDRO CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001307988160 1065714753 /nfs/dbraw/zinc/71/47/53/1065714753.db2.gz KFRHLWIFDUTLMR-YLJYHZDGSA-N 1 0 311.473 4.155 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccccc1OC ZINC001308019525 1065726325 /nfs/dbraw/zinc/72/63/25/1065726325.db2.gz LFHKMVHWMBWWTG-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO C=CCCC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1 ZINC001308041037 1065736779 /nfs/dbraw/zinc/73/67/79/1065736779.db2.gz RNTVRNANIPZBQV-RTWAWAEBSA-N 1 0 309.453 4.277 20 30 DIEDRO Cc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCC3)C2)cc1C#N ZINC001308066056 1065746721 /nfs/dbraw/zinc/74/67/21/1065746721.db2.gz LFKIICBNCTZSCD-UHFFFAOYSA-N 1 0 318.420 4.184 20 30 DIEDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001308098991 1065762772 /nfs/dbraw/zinc/76/27/72/1065762772.db2.gz NIPTVEYWJHJRKT-LAUBAEHRSA-N 1 0 320.436 4.357 20 30 DIEDRO CC[C@@H](CC(F)F)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001308113054 1065766891 /nfs/dbraw/zinc/76/68/91/1065766891.db2.gz BEVINLZXNOFFLR-AWEZNQCLSA-N 1 0 306.400 4.419 20 30 DIEDRO C[C@@H](CC[N@H+](C)Cc1cc(C#N)cs1)OCc1ccccc1 ZINC001308112955 1065767135 /nfs/dbraw/zinc/76/71/35/1065767135.db2.gz KVBDCVWUYIRECY-HNNXBMFYSA-N 1 0 314.454 4.047 20 30 DIEDRO C[C@H](C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001308114351 1065768246 /nfs/dbraw/zinc/76/82/46/1065768246.db2.gz MQSFOZJTBIYQDI-MAUKXSAKSA-N 1 0 300.446 4.004 20 30 DIEDRO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC001308137089 1065776148 /nfs/dbraw/zinc/77/61/48/1065776148.db2.gz OKAVWXZCYKRKIM-IBGZPJMESA-N 1 0 308.425 4.209 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](C)CCCC(C)C)cc(OC)c1O ZINC001308181932 1065792971 /nfs/dbraw/zinc/79/29/71/1065792971.db2.gz KJNDOAZDQDUBSX-OAHLLOKOSA-N 1 0 305.462 4.434 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)CCCC(C)C)cc(OC)c1O ZINC001308181931 1065794418 /nfs/dbraw/zinc/79/44/18/1065794418.db2.gz KJNDOAZDQDUBSX-HNNXBMFYSA-N 1 0 305.462 4.434 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1 ZINC001308218394 1065825720 /nfs/dbraw/zinc/82/57/20/1065825720.db2.gz FLCVYTDBTBRTMY-IBGZPJMESA-N 1 0 318.505 4.220 20 30 DIEDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001308237344 1065843536 /nfs/dbraw/zinc/84/35/36/1065843536.db2.gz NKKZPVZSLNIJEG-QGZVFWFLSA-N 1 0 304.437 4.271 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CCCCCc2ccccc2)cc1 ZINC001308241760 1065848025 /nfs/dbraw/zinc/84/80/25/1065848025.db2.gz QDCVZWXQXWMUJU-UHFFFAOYSA-N 1 0 307.437 4.201 20 30 DIEDRO Cc1cc(C[NH2+]CC2(OC(C)C)CCCCC2)ccc1C#N ZINC001308307091 1065900838 /nfs/dbraw/zinc/90/08/38/1065900838.db2.gz SLMXDNHALZJILO-UHFFFAOYSA-N 1 0 300.446 4.084 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001308341200 1065927091 /nfs/dbraw/zinc/92/70/91/1065927091.db2.gz GCIRUNWPPXZSCW-ZWKOTPCHSA-N 1 0 314.473 4.171 20 30 DIEDRO C=CCSCC[NH2+]Cc1cc2cccc(C)c2nc1Cl ZINC001308368603 1065945241 /nfs/dbraw/zinc/94/52/41/1065945241.db2.gz YAUZMPFRHFRMPP-UHFFFAOYSA-N 1 0 306.862 4.205 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001308374574 1065948220 /nfs/dbraw/zinc/94/82/20/1065948220.db2.gz OCNYDCNLTIGLNO-ZACQAIPSSA-N 1 0 322.493 4.110 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC001308387589 1065956436 /nfs/dbraw/zinc/95/64/36/1065956436.db2.gz QNTJUOXKGFEKOD-LPHOPBHVSA-N 1 0 313.466 4.486 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC001308387590 1065957059 /nfs/dbraw/zinc/95/70/59/1065957059.db2.gz QNTJUOXKGFEKOD-QFBILLFUSA-N 1 0 313.466 4.486 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2CC)cc(OC)c1O ZINC001308407230 1065968510 /nfs/dbraw/zinc/96/85/10/1065968510.db2.gz NFWXVBQURFFNPU-RDJZCZTQSA-N 1 0 303.446 4.045 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCC[C@H]2CC)cc(OC)c1O ZINC001308407229 1065968667 /nfs/dbraw/zinc/96/86/67/1065968667.db2.gz NFWXVBQURFFNPU-NVXWUHKLSA-N 1 0 303.446 4.045 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC[C@H]3CCc4ccccc43)cc2)CC1 ZINC001308420185 1065976667 /nfs/dbraw/zinc/97/66/67/1065976667.db2.gz BXRQJWZFOVAEJE-LJQANCHMSA-N 1 0 316.448 4.451 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C)c3ccccc23)cc1 ZINC001308436601 1065986225 /nfs/dbraw/zinc/98/62/25/1065986225.db2.gz JVFIXCDXCPTVRX-UHFFFAOYSA-N 1 0 315.416 4.450 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC001308440784 1065989445 /nfs/dbraw/zinc/98/94/45/1065989445.db2.gz FBMWXUIBYWNSFR-SFTDATJTSA-N 1 0 307.437 4.343 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2(c3cccc(F)c3)CCC2)cc1 ZINC001308445945 1065993754 /nfs/dbraw/zinc/99/37/54/1065993754.db2.gz UXTLVEUVSLPZNJ-UHFFFAOYSA-N 1 0 323.411 4.397 20 30 DIEDRO CC(C)([NH2+]C/C=C\c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC001308461625 1066003091 /nfs/dbraw/zinc/00/30/91/1066003091.db2.gz ANZWCVKDGALVCI-XQRVVYSFSA-N 1 0 312.363 4.375 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1C ZINC001308462153 1066005437 /nfs/dbraw/zinc/00/54/37/1066005437.db2.gz MIBOCDKUDDATTC-DOTOQJQBSA-N 1 0 303.446 4.237 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2cc(Cl)ccc2Cl)cc1 ZINC001308464398 1066006910 /nfs/dbraw/zinc/00/69/10/1066006910.db2.gz UNLXILAYMMLZLJ-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO Cc1cc(Br)ccc1C[NH2+]CC1(C#N)CCCCC1 ZINC001308466569 1066007843 /nfs/dbraw/zinc/00/78/43/1066007843.db2.gz LIWNZYARMPQAET-UHFFFAOYSA-N 1 0 321.262 4.321 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1csc3ccccc13)C2 ZINC001308498366 1066028709 /nfs/dbraw/zinc/02/87/09/1066028709.db2.gz UYKMFYAHULIWDQ-KRWDZBQOSA-N 1 0 304.418 4.030 20 30 DIEDRO COc1ccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cc1Cl ZINC001308511917 1066038269 /nfs/dbraw/zinc/03/82/69/1066038269.db2.gz CSODXDVIXIKMMX-UHFFFAOYSA-N 1 0 314.816 4.127 20 30 DIEDRO C#CCC1([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CCC1 ZINC001308530005 1066048881 /nfs/dbraw/zinc/04/88/81/1066048881.db2.gz LQHOMMKLZKFMFL-UHFFFAOYSA-N 1 0 316.857 4.499 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2CC23CC(O)C3)c1 ZINC001308533947 1066053205 /nfs/dbraw/zinc/05/32/05/1066053205.db2.gz UYJFQNMZTJCHCC-SYYJFZTOSA-N 1 0 317.473 4.039 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC001308564035 1066073783 /nfs/dbraw/zinc/07/37/83/1066073783.db2.gz GPNVGQHZYLEUGB-HXUWFJFHSA-N 1 0 322.452 4.328 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@](C)(CC)C1 ZINC001308576167 1066090996 /nfs/dbraw/zinc/09/09/96/1066090996.db2.gz MOQJXKJPPZCRRE-SFHVURJKSA-N 1 0 305.849 4.364 20 30 DIEDRO C[C@@H]1SCC[N@H+](CC#Cc2ccccc2)[C@H]1c1ccccc1 ZINC001308574807 1066091215 /nfs/dbraw/zinc/09/12/15/1066091215.db2.gz VPRVNSCWGFPXJU-FXAWDEMLSA-N 1 0 307.462 4.217 20 30 DIEDRO CCOc1ccc(C[N@H+](Cc2csc(C#N)c2)C(C)C)cc1 ZINC001308587970 1066101121 /nfs/dbraw/zinc/10/11/21/1066101121.db2.gz XAVBHTSALFRGGO-UHFFFAOYSA-N 1 0 314.454 4.429 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(-c2ccccc2C(=O)OC)o1)C(C)C ZINC001308586531 1066101574 /nfs/dbraw/zinc/10/15/74/1066101574.db2.gz ZEIBQIYURJXFDN-UHFFFAOYSA-N 1 0 313.397 4.130 20 30 DIEDRO C#CC[N@@H+](Cc1cc2c(ccnc2Cl)o1)C1CCCCC1 ZINC001308589788 1066103884 /nfs/dbraw/zinc/10/38/84/1066103884.db2.gz KDVRHCZOOWJAGB-UHFFFAOYSA-N 1 0 302.805 4.249 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1ccc(C#N)c(OC)c1 ZINC001308593817 1066104569 /nfs/dbraw/zinc/10/45/69/1066104569.db2.gz KSEVNDNMORUZHH-FQEVSTJZSA-N 1 0 322.452 4.410 20 30 DIEDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC001308602120 1066112105 /nfs/dbraw/zinc/11/21/05/1066112105.db2.gz ZERBPOMQXIZNDS-INIZCTEOSA-N 1 0 302.421 4.189 20 30 DIEDRO CC[C@H](C)[C@H](C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)OC ZINC001308612442 1066117812 /nfs/dbraw/zinc/11/78/12/1066117812.db2.gz XVDREXCSQQVLQG-LPHOPBHVSA-N 1 0 302.462 4.077 20 30 DIEDRO CC[N@H+](C[C@@H]1C[C@@]1(C)Br)[C@H](C)c1ccc(C#N)cc1 ZINC001308618522 1066120790 /nfs/dbraw/zinc/12/07/90/1066120790.db2.gz GVIAZGJOOHCFOP-UHOFOFEASA-N 1 0 321.262 4.115 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+](C)C[C@H](C)CC)cc1OC ZINC001308629660 1066126069 /nfs/dbraw/zinc/12/60/69/1066126069.db2.gz WLBQMNDPXPXLPS-CYBMUJFWSA-N 1 0 311.853 4.391 20 30 DIEDRO C#CC[N@@H+](CC)Cc1ccccc1Oc1ccc(C)cc1OC ZINC001308631200 1066127758 /nfs/dbraw/zinc/12/77/58/1066127758.db2.gz KAJADYLXEFJZAM-UHFFFAOYSA-N 1 0 309.409 4.251 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001308666404 1066144832 /nfs/dbraw/zinc/14/48/32/1066144832.db2.gz OEYBLPAQLVLJOJ-UKRRQHHQSA-N 1 0 310.363 4.435 20 30 DIEDRO CCC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCC1 ZINC001308686144 1066154624 /nfs/dbraw/zinc/15/46/24/1066154624.db2.gz YSSVGUCCYGSZAO-IBGZPJMESA-N 1 0 322.456 4.017 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H](C)CSCCF)c1ccc(F)c(F)c1 ZINC001308697703 1066186296 /nfs/dbraw/zinc/18/62/96/1066186296.db2.gz WZLLYLDLLNSNOL-ABAIWWIYSA-N 1 0 303.393 4.263 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@H]2C[C@]2(C)Br)CCCC1(C)C ZINC001308724045 1066200574 /nfs/dbraw/zinc/20/05/74/1066200574.db2.gz KVBMDFZTODXCJI-IPYPFGDCSA-N 1 0 300.284 4.227 20 30 DIEDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001308738267 1066213505 /nfs/dbraw/zinc/21/35/05/1066213505.db2.gz RTDRXXFZGQOYJZ-HRAATJIYSA-N 1 0 320.436 4.131 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cc(C)nc(N2CCCC2)c1 ZINC001308743656 1066218773 /nfs/dbraw/zinc/21/87/73/1066218773.db2.gz LAMNYILJFBOKSY-MRXNPFEDSA-N 1 0 301.478 4.215 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1cc2ccccc2c(OC)c1 ZINC001308755569 1066227083 /nfs/dbraw/zinc/22/70/83/1066227083.db2.gz ULPOITVCQZFHHA-UHFFFAOYSA-N 1 0 315.416 4.484 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](OCCCC)C2(C)C)cc1 ZINC001308756979 1066232673 /nfs/dbraw/zinc/23/26/73/1066232673.db2.gz FXTADPMNHVSWIM-OALUTQOASA-N 1 0 317.473 4.325 20 30 DIEDRO C=CCC1([NH2+]CC2(C)CCN(C(=O)OCC)CC2)CCCCC1 ZINC001308764425 1066237331 /nfs/dbraw/zinc/23/73/31/1066237331.db2.gz IWLLICTXHMKOAI-UHFFFAOYSA-N 1 0 322.493 4.114 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)Cc1ccc(-c2ccccc2)cc1 ZINC001308770347 1066242823 /nfs/dbraw/zinc/24/28/23/1066242823.db2.gz POPPYYHWQIXBRW-DQLDELGASA-N 1 0 307.437 4.218 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)cc1 ZINC001308773417 1066245220 /nfs/dbraw/zinc/24/52/20/1066245220.db2.gz JQVIKORDJASLQQ-CYBMUJFWSA-N 1 0 301.792 4.181 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001308780218 1066253133 /nfs/dbraw/zinc/25/31/33/1066253133.db2.gz WEFXAOZJVOWASK-ZBFHGGJFSA-N 1 0 301.409 4.407 20 30 DIEDRO C#C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccc(Br)cc1 ZINC001308786060 1066260285 /nfs/dbraw/zinc/26/02/85/1066260285.db2.gz VMPCZKBCPQPVGS-SWLSCSKDSA-N 1 0 308.263 4.395 20 30 DIEDRO C#C[C@@H]([NH2+]C[C@@H](C)CC(C)C)c1ccc(Br)cc1 ZINC001308784843 1066260707 /nfs/dbraw/zinc/26/07/07/1066260707.db2.gz ONHWLRDNJIVBLM-XJKSGUPXSA-N 1 0 308.263 4.395 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 ZINC001308795709 1066270786 /nfs/dbraw/zinc/27/07/86/1066270786.db2.gz KPJKITWKXQSZAM-MSOLQXFVSA-N 1 0 316.231 4.425 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC001308795547 1066272073 /nfs/dbraw/zinc/27/20/73/1066272073.db2.gz VCBUYHDOWHSXAD-GFCCVEGCSA-N 1 0 315.200 4.039 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001308800205 1066278109 /nfs/dbraw/zinc/27/81/09/1066278109.db2.gz HERABNWEWUEFJU-NSHGMRRFSA-N 1 0 300.490 4.374 20 30 DIEDRO CCOc1ccc(C[C@H](C)C[NH2+][C@H](C)CC(C)(C)C#N)cc1 ZINC001308803601 1066279240 /nfs/dbraw/zinc/27/92/40/1066279240.db2.gz OUSOLYYHMSGHMR-JKSUJKDBSA-N 1 0 302.462 4.182 20 30 DIEDRO C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001308820916 1066296827 /nfs/dbraw/zinc/29/68/27/1066296827.db2.gz TWMDWJJVOKDUQM-CYBMUJFWSA-N 1 0 308.356 4.164 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CCCC1 ZINC001308857180 1066336235 /nfs/dbraw/zinc/33/62/35/1066336235.db2.gz JQQHUZUKWUWSMJ-UHFFFAOYSA-N 1 0 319.445 4.026 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC001308911137 1066389317 /nfs/dbraw/zinc/38/93/17/1066389317.db2.gz SAPWHMFRUQDKBX-BHIYHBOVSA-N 1 0 315.457 4.233 20 30 DIEDRO C=CCC[C@@H](CC)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001308918442 1066396958 /nfs/dbraw/zinc/39/69/58/1066396958.db2.gz LXFLHSYWPJTLOZ-YLJYHZDGSA-N 1 0 313.489 4.128 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC001308925144 1066401336 /nfs/dbraw/zinc/40/13/36/1066401336.db2.gz DFOVPBPJFGRSPC-CKEIUWERSA-N 1 0 320.274 4.162 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001308926136 1066401571 /nfs/dbraw/zinc/40/15/71/1066401571.db2.gz SQWUXQOAYGVYJP-YOEHRIQHSA-N 1 0 320.864 4.170 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC001308926944 1066403185 /nfs/dbraw/zinc/40/31/85/1066403185.db2.gz RIHNLVCJCQBGHP-CYBMUJFWSA-N 1 0 306.356 4.454 20 30 DIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1cccc(C#N)c1 ZINC001308938817 1066408206 /nfs/dbraw/zinc/40/82/06/1066408206.db2.gz QULQFWMDIBCSPS-IAOVAPTHSA-N 1 0 300.446 4.191 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCC1 ZINC001308950012 1066415344 /nfs/dbraw/zinc/41/53/44/1066415344.db2.gz CQGJFJQSBXOEME-UHFFFAOYSA-N 1 0 321.420 4.007 20 30 DIEDRO C#CCC1([NH2+]Cc2c(C)nn(C(C)(C)C)c2C)CCCCC1 ZINC001308950701 1066415544 /nfs/dbraw/zinc/41/55/44/1066415544.db2.gz SSXGMRYUJFKCND-UHFFFAOYSA-N 1 0 301.478 4.071 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC001308957439 1066418880 /nfs/dbraw/zinc/41/88/80/1066418880.db2.gz BATAUHBTUSXJGS-LSDHHAIUSA-N 1 0 317.845 4.094 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C2CCC2)cc1 ZINC001308965159 1066423191 /nfs/dbraw/zinc/42/31/91/1066423191.db2.gz LGYAKFDFZRDJMW-KSSFIOAISA-N 1 0 300.446 4.454 20 30 DIEDRO C=C[C@H](CC(=O)Nc1ccc(C)cc1C[NH+](C)C)c1ccccc1 ZINC000134747426 335008104 /nfs/dbraw/zinc/00/81/04/335008104.db2.gz NZHGRDZRBHJANX-QGZVFWFLSA-N 1 0 322.452 4.355 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCOCC2)cc1 ZINC000183349289 335025462 /nfs/dbraw/zinc/02/54/62/335025462.db2.gz NEQZUQHDKSVVMP-GOEBONIOSA-N 1 0 309.837 4.038 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccco1 ZINC000286258689 335031005 /nfs/dbraw/zinc/03/10/05/335031005.db2.gz USQGFQIFEYGDNR-GOSISDBHSA-N 1 0 316.420 4.277 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000426037606 335042888 /nfs/dbraw/zinc/04/28/88/335042888.db2.gz VLVWCUFQBROLDB-GHMZBOCLSA-N 1 0 302.315 4.469 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000287540527 335044818 /nfs/dbraw/zinc/04/48/18/335044818.db2.gz PHOXVACJWBWIHO-OAHLLOKOSA-N 1 0 324.424 4.061 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000121838003 195359134 /nfs/dbraw/zinc/35/91/34/195359134.db2.gz PXHHWSXBRBRTIB-KBXCAEBGSA-N 1 0 324.424 4.377 20 30 DIEDRO COc1cccc(C2([NH2+][C@H](C)c3ccc(C#N)c(F)c3)CC2)c1 ZINC000272161008 130003423 /nfs/dbraw/zinc/00/34/23/130003423.db2.gz BTVGQWCJOMXBAZ-CYBMUJFWSA-N 1 0 310.372 4.046 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(O)c1C ZINC000273488100 130127705 /nfs/dbraw/zinc/12/77/05/130127705.db2.gz NQUYWMNNPQIABJ-OAHLLOKOSA-N 1 0 306.409 4.221 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273526569 130132585 /nfs/dbraw/zinc/13/25/85/130132585.db2.gz QRBRMTAVFPYTGU-VQTJNVASSA-N 1 0 324.399 4.049 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)c1 ZINC000275908786 130408759 /nfs/dbraw/zinc/40/87/59/130408759.db2.gz UCUZYHRUAGZEDJ-CABCVRRESA-N 1 0 308.347 4.258 20 30 DIEDRO CC[N@H+](Cc1cnc(C(C)(C)C)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000284433684 131080064 /nfs/dbraw/zinc/08/00/64/131080064.db2.gz SDICKTKPLGPJLX-HNNXBMFYSA-N 1 0 322.456 4.229 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H]1CCc2c1ccc(OC)c2F)c1ccccc1 ZINC000290156990 335069386 /nfs/dbraw/zinc/06/93/86/335069386.db2.gz DAPHYPGJDVTSPU-MSOLQXFVSA-N 1 0 309.384 4.176 20 30 DIEDRO C=CCC[C@@H](CC)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000184657429 335082713 /nfs/dbraw/zinc/08/27/13/335082713.db2.gz AGHIEYIQEHIAGW-MRXNPFEDSA-N 1 0 317.477 4.042 20 30 DIEDRO C=CCC[C@H](CC)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000184657410 335082751 /nfs/dbraw/zinc/08/27/51/335082751.db2.gz AGHIEYIQEHIAGW-INIZCTEOSA-N 1 0 317.477 4.042 20 30 DIEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)c(OC(F)F)cc1C ZINC000584016993 331565973 /nfs/dbraw/zinc/56/59/73/331565973.db2.gz ZAIAMTAOTWHWNK-UHFFFAOYSA-N 1 0 310.388 4.324 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCOCc1ccccc1)CC2 ZINC000564424702 331670030 /nfs/dbraw/zinc/67/00/30/331670030.db2.gz WURFUOIXIKUYLM-NRFANRHFSA-N 1 0 320.436 4.132 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000556514576 331712003 /nfs/dbraw/zinc/71/20/03/331712003.db2.gz GANUQQXPAOSLQH-ABAIWWIYSA-N 1 0 309.251 4.240 20 30 DIEDRO CCC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000556595069 331718272 /nfs/dbraw/zinc/71/82/72/331718272.db2.gz OXGPYQRLYXUCDI-SFHVURJKSA-N 1 0 310.445 4.045 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000558416605 331904730 /nfs/dbraw/zinc/90/47/30/331904730.db2.gz ZGLMBAXQPUSVQW-UHFFFAOYSA-N 1 0 308.425 4.026 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000558741680 331940545 /nfs/dbraw/zinc/94/05/45/331940545.db2.gz JVJCYURQVJRPKU-CQSZACIVSA-N 1 0 314.816 4.331 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(OCC#N)cc1 ZINC000127069436 331999215 /nfs/dbraw/zinc/99/92/15/331999215.db2.gz JAUKUHZVJBLSLM-AWEZNQCLSA-N 1 0 314.454 4.279 20 30 DIEDRO C=CCOCC[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000559247443 332001940 /nfs/dbraw/zinc/00/19/40/332001940.db2.gz AQHBTJRLWCOTJG-OAHLLOKOSA-N 1 0 300.229 4.237 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CCC2CCCC2)ccc1OC ZINC000518274401 332004332 /nfs/dbraw/zinc/00/43/32/332004332.db2.gz AONKJYBAVQVVEO-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2c(C)[nH]c3ccccc32)cc1 ZINC000518278623 332005901 /nfs/dbraw/zinc/00/59/01/332005901.db2.gz GFVWYACFEBYXSH-UHFFFAOYSA-N 1 0 320.436 4.373 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000559308237 332021624 /nfs/dbraw/zinc/02/16/24/332021624.db2.gz GJJCQLCHKMAPPV-UHFFFAOYSA-N 1 0 310.441 4.353 20 30 DIEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000520043101 332030304 /nfs/dbraw/zinc/03/03/04/332030304.db2.gz ZQNOTHWUQVBIOO-LJQANCHMSA-N 1 0 314.473 4.028 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c(F)c1 ZINC000520042779 332030321 /nfs/dbraw/zinc/03/03/21/332030321.db2.gz DQOYDCJQVQBIDT-SFHVURJKSA-N 1 0 312.363 4.044 20 30 DIEDRO COC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(Cl)c1 ZINC000449326916 332038717 /nfs/dbraw/zinc/03/87/17/332038717.db2.gz AEJIYRAZGLMBOE-AQFXKWCLSA-N 1 0 306.837 4.090 20 30 DIEDRO CC(F)(F)CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000449354118 332065383 /nfs/dbraw/zinc/06/53/83/332065383.db2.gz KHALRZIJRCLZDB-UHFFFAOYSA-N 1 0 306.278 4.102 20 30 DIEDRO CC(C)CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000410069097 332085905 /nfs/dbraw/zinc/08/59/05/332085905.db2.gz OAFPYZFVDAFZKB-UHFFFAOYSA-N 1 0 308.425 4.273 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000538193850 332088968 /nfs/dbraw/zinc/08/89/68/332088968.db2.gz GIQSRYDVLNJRDF-GJZGRUSLSA-N 1 0 301.455 4.250 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000090664797 332092220 /nfs/dbraw/zinc/09/22/20/332092220.db2.gz PXBJLJVUWZDOLT-QFBILLFUSA-N 1 0 307.441 4.448 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)CCC2 ZINC000090665132 332092222 /nfs/dbraw/zinc/09/22/22/332092222.db2.gz QBGWTYAIUUPGOC-RDJZCZTQSA-N 1 0 311.454 4.464 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665806 332092324 /nfs/dbraw/zinc/09/23/24/332092324.db2.gz KBTVDVXDHOFSCM-UTKZUKDTSA-N 1 0 318.420 4.394 20 30 DIEDRO N#CC1(CCC[N@H+](CC2CCCCC2)C2CC2)CCOCC1 ZINC000410327410 332112442 /nfs/dbraw/zinc/11/24/42/332112442.db2.gz UAJHLDSQKSNLIT-UHFFFAOYSA-N 1 0 304.478 4.132 20 30 DIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)CC1CCCCC1 ZINC000410333304 332113626 /nfs/dbraw/zinc/11/36/26/332113626.db2.gz QEQXTZMDTKIOED-UHFFFAOYSA-N 1 0 306.494 4.379 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000410381215 332121157 /nfs/dbraw/zinc/12/11/57/332121157.db2.gz IUODTZBKYZUFPO-QGZVFWFLSA-N 1 0 306.494 4.235 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000410414774 332124853 /nfs/dbraw/zinc/12/48/53/332124853.db2.gz BPTYREQFSKNQRW-SFHVURJKSA-N 1 0 318.436 4.213 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(c3cccc(F)c3)CC1)CC2 ZINC000569533225 332127383 /nfs/dbraw/zinc/12/73/83/332127383.db2.gz BMAZDYMGFLEUGL-IBGZPJMESA-N 1 0 306.384 4.006 20 30 DIEDRO CC(C)C[C@@H](CNc1cc(C#N)ccn1)[NH2+][C@@H](C)c1ccccc1 ZINC000569538028 332129520 /nfs/dbraw/zinc/12/95/20/332129520.db2.gz QVFLFRVYIHEIDP-LPHOPBHVSA-N 1 0 322.456 4.131 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc2[nH]ccc21 ZINC000092504618 332131377 /nfs/dbraw/zinc/13/13/77/332131377.db2.gz AHWIVQCZUBRKDH-UHFFFAOYSA-N 1 0 301.393 4.228 20 30 DIEDRO CC(C)[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000569569060 332141270 /nfs/dbraw/zinc/14/12/70/332141270.db2.gz VDTKGZPZZNMNLW-BBRMVZONSA-N 1 0 323.362 4.436 20 30 DIEDRO C=C(C)CN(C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000181331280 332191760 /nfs/dbraw/zinc/19/17/60/332191760.db2.gz KXQNYPXANJVZBM-UHFFFAOYSA-N 1 0 321.635 4.093 20 30 DIEDRO C=CCCC[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000448027349 332198343 /nfs/dbraw/zinc/19/83/43/332198343.db2.gz MOVNVMUTJLHKSF-SFHVURJKSA-N 1 0 314.385 4.395 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCC(C(F)(F)F)CC1 ZINC000449444565 332198793 /nfs/dbraw/zinc/19/87/93/332198793.db2.gz BWMVCIAUGUDJCZ-FOZYDTHFSA-N 1 0 302.384 4.416 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1cc(C#N)cs1)Oc1cccc(Cl)c1 ZINC000531009815 332208418 /nfs/dbraw/zinc/20/84/18/332208418.db2.gz AABYBIFCODLORI-AWEZNQCLSA-N 1 0 320.845 4.220 20 30 DIEDRO Cc1ccc(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cn1 ZINC000363685449 332219906 /nfs/dbraw/zinc/21/99/06/332219906.db2.gz IEXOMIDKIFKABE-MRXNPFEDSA-N 1 0 305.425 4.202 20 30 DIEDRO CC[N@H+](CCCCC#N)Cc1cc(Br)ccc1F ZINC000102398992 332225431 /nfs/dbraw/zinc/22/54/31/332225431.db2.gz ALIPEZOTTGMUTO-UHFFFAOYSA-N 1 0 313.214 4.104 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CCCCC#N)c2ccc(F)cc2)cc1 ZINC000109790735 332284007 /nfs/dbraw/zinc/28/40/07/332284007.db2.gz FXOVLWTWBIZCCS-IBGZPJMESA-N 1 0 312.388 4.207 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000559875887 332288203 /nfs/dbraw/zinc/28/82/03/332288203.db2.gz ASUYSWOSLADYBO-HNNXBMFYSA-N 1 0 305.462 4.135 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000559921522 332294018 /nfs/dbraw/zinc/29/40/18/332294018.db2.gz LAQJLKPXBAQPEG-MRXNPFEDSA-N 1 0 314.473 4.406 20 30 DIEDRO N#CCSCCC[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000152500562 332303698 /nfs/dbraw/zinc/30/36/98/332303698.db2.gz KRSRERVNGYXCDE-QZTJIDSGSA-N 1 0 300.471 4.035 20 30 DIEDRO CC(C)CC(=O)Nc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000112683639 332315644 /nfs/dbraw/zinc/31/56/44/332315644.db2.gz GWLHROOCEUNNDI-UHFFFAOYSA-N 1 0 315.461 4.091 20 30 DIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000114472580 332327558 /nfs/dbraw/zinc/32/75/58/332327558.db2.gz KWTAZQYAFVIXCC-INIZCTEOSA-N 1 0 310.445 4.100 20 30 DIEDRO N#CCC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000560493406 332346250 /nfs/dbraw/zinc/34/62/50/332346250.db2.gz SBLLQURRHXTOQA-UHFFFAOYSA-N 1 0 304.437 4.444 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccco1 ZINC000560520606 332349760 /nfs/dbraw/zinc/34/97/60/332349760.db2.gz RCFNZUIGPGBRPL-MOPGFXCFSA-N 1 0 312.457 4.049 20 30 DIEDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)cc1 ZINC000560543377 332355954 /nfs/dbraw/zinc/35/59/54/332355954.db2.gz ZQJAYFQZMVFEOI-HXUWFJFHSA-N 1 0 320.436 4.022 20 30 DIEDRO C=CCCCC[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000560548459 332357784 /nfs/dbraw/zinc/35/77/84/332357784.db2.gz FEMJHCYQHHJKDC-HXUWFJFHSA-N 1 0 310.441 4.320 20 30 DIEDRO C[N@H+](Cc1ccc(Br)s1)CC(C)(C)CCC#N ZINC000118990008 332359743 /nfs/dbraw/zinc/35/97/43/332359743.db2.gz BOEFDAAEHCNQGJ-UHFFFAOYSA-N 1 0 315.280 4.272 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000560571498 332362361 /nfs/dbraw/zinc/36/23/61/332362361.db2.gz JCBQTSQHODKVTR-AWEZNQCLSA-N 1 0 310.372 4.113 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000560571499 332362557 /nfs/dbraw/zinc/36/25/57/332362557.db2.gz JCBQTSQHODKVTR-CQSZACIVSA-N 1 0 310.372 4.113 20 30 DIEDRO C[C@H](Cc1cccs1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237579586 332377189 /nfs/dbraw/zinc/37/71/89/332377189.db2.gz KKKHSXHJPLVZGE-OAHLLOKOSA-N 1 0 314.454 4.151 20 30 DIEDRO CCOc1ccc([C@H]([NH2+]CCCC#N)C(C)C)cc1OCC ZINC000120190571 332384253 /nfs/dbraw/zinc/38/42/53/332384253.db2.gz YDARHSWHHSWOCJ-GOSISDBHSA-N 1 0 304.434 4.074 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2c3ccc(F)cc3O[C@@H]2C)c1 ZINC000561749554 332490336 /nfs/dbraw/zinc/49/03/36/332490336.db2.gz ZKWNSYSATZZIIP-BFUOFWGJSA-N 1 0 313.372 4.002 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000293755445 335113126 /nfs/dbraw/zinc/11/31/26/335113126.db2.gz QSHUTZXWENMNEX-UHFFFAOYSA-N 1 0 312.457 4.011 20 30 DIEDRO N#Cc1ccc(C[NH2+]C/C=C\c2ccccc2)c(C(F)(F)F)c1 ZINC000562071173 332541875 /nfs/dbraw/zinc/54/18/75/332541875.db2.gz WYKTUPCPVVGLMB-DAXSKMNVSA-N 1 0 316.326 4.380 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000562519589 332601263 /nfs/dbraw/zinc/60/12/63/332601263.db2.gz TYCAIQGDLNWMRT-UHFFFAOYSA-N 1 0 300.446 4.078 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000564760935 332638075 /nfs/dbraw/zinc/63/80/75/332638075.db2.gz MLGHBSFDYDGXOW-BBRMVZONSA-N 1 0 317.379 4.219 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000570122208 332714920 /nfs/dbraw/zinc/71/49/20/332714920.db2.gz GUSATUNVUFSAKL-ISTRZQFTSA-N 1 0 300.402 4.258 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1sccc1Br)C1CC1 ZINC000381536289 332715069 /nfs/dbraw/zinc/71/50/69/332715069.db2.gz GWSLFKJVIYLQDI-GFCCVEGCSA-N 1 0 300.265 4.345 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000159897356 332724693 /nfs/dbraw/zinc/72/46/93/332724693.db2.gz SKUAERJGGXVECJ-HXUWFJFHSA-N 1 0 322.452 4.186 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000570211535 332726102 /nfs/dbraw/zinc/72/61/02/332726102.db2.gz HHRPXCPNOHIQRN-LJQANCHMSA-N 1 0 318.420 4.289 20 30 DIEDRO CSc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCC2 ZINC000572643085 332741770 /nfs/dbraw/zinc/74/17/70/332741770.db2.gz IQMKYPVPPFPHNF-DHSIGJKJSA-N 1 0 300.471 4.458 20 30 DIEDRO CC(C)C[N@H+](CCCC#N)Cc1ccccc1Br ZINC000361699945 333002833 /nfs/dbraw/zinc/00/28/33/333002833.db2.gz DJERTBANGMOMNP-UHFFFAOYSA-N 1 0 309.251 4.211 20 30 DIEDRO COc1cc(C[N@H+](Cc2ccccc2C)C2CC2)ccc1C#N ZINC000580277750 333052649 /nfs/dbraw/zinc/05/26/49/333052649.db2.gz NZPOHRFCXUUDFX-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768786 333054394 /nfs/dbraw/zinc/05/43/94/333054394.db2.gz RDDNDSDVXNFUFX-MRXNPFEDSA-N 1 0 324.424 4.229 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000174294485 333084569 /nfs/dbraw/zinc/08/45/69/333084569.db2.gz QIDFCMBXQOPCOA-UHFFFAOYSA-N 1 0 314.351 4.004 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000174870840 333092032 /nfs/dbraw/zinc/09/20/32/333092032.db2.gz VNRAGUMGWWQIIX-MRXNPFEDSA-N 1 0 316.420 4.050 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000178541792 333140686 /nfs/dbraw/zinc/14/06/86/333140686.db2.gz USXHUHTWVZZGQL-UHFFFAOYSA-N 1 0 310.363 4.262 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000179527594 333151921 /nfs/dbraw/zinc/15/19/21/333151921.db2.gz WRWMSAHBHANSEE-HNNXBMFYSA-N 1 0 324.424 4.205 20 30 DIEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000180025314 333157547 /nfs/dbraw/zinc/15/75/47/333157547.db2.gz CCUKPLSFNLGSHN-DLTLXFJOSA-N 1 0 301.821 4.070 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180555789 333163177 /nfs/dbraw/zinc/16/31/77/333163177.db2.gz BGRDLFAPXYRIJP-QRWLVFNGSA-N 1 0 306.409 4.317 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000180858008 333165712 /nfs/dbraw/zinc/16/57/12/333165712.db2.gz UPPAAJBGXNWHJI-UHFFFAOYSA-N 1 0 305.425 4.047 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181552891 333170114 /nfs/dbraw/zinc/17/01/14/333170114.db2.gz QJZJVLRBBRTDCN-CABCVRRESA-N 1 0 312.388 4.010 20 30 DIEDRO Cc1cccc(OC[C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181552802 333170140 /nfs/dbraw/zinc/17/01/40/333170140.db2.gz KDQLTPLDFXPYNF-DLBZAZTESA-N 1 0 324.424 4.016 20 30 DIEDRO Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181552769 333170221 /nfs/dbraw/zinc/17/02/21/333170221.db2.gz KDQLTPLDFXPYNF-IRXDYDNUSA-N 1 0 324.424 4.016 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)CC2 ZINC000181569962 333170232 /nfs/dbraw/zinc/17/02/32/333170232.db2.gz JRGQSNGNNIJHBO-PMACEKPBSA-N 1 0 306.409 4.317 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000181642893 333170935 /nfs/dbraw/zinc/17/09/35/333170935.db2.gz SEZDQEMYEXEULO-DNVCBOLYSA-N 1 0 322.408 4.153 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000582135277 333172882 /nfs/dbraw/zinc/17/28/82/333172882.db2.gz OXQNJDOCXWSLHZ-UHFFFAOYSA-N 1 0 311.473 4.240 20 30 DIEDRO C[C@H]([NH2+]CCc1cc2ccccc2o1)c1ccc(OCC#N)cc1 ZINC000181984502 333174072 /nfs/dbraw/zinc/17/40/72/333174072.db2.gz WLEFBUUXVSWYMT-HNNXBMFYSA-N 1 0 320.392 4.228 20 30 DIEDRO CC(C)CSCCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000182009766 333174685 /nfs/dbraw/zinc/17/46/85/333174685.db2.gz RARZCFMPZCVQSH-HNNXBMFYSA-N 1 0 306.475 4.019 20 30 DIEDRO Cc1oc2ccccc2c1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000182199600 333176806 /nfs/dbraw/zinc/17/68/06/333176806.db2.gz WMVBHMMVEMRCOV-AWEZNQCLSA-N 1 0 320.392 4.494 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1ccc(C(F)(F)F)cc1 ZINC000182467482 333178318 /nfs/dbraw/zinc/17/83/18/333178318.db2.gz PTORBCMIRDSTIB-NSHDSACASA-N 1 0 302.365 4.003 20 30 DIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000367624736 333187378 /nfs/dbraw/zinc/18/73/78/333187378.db2.gz WWLNBURPWJTSBD-GUDVDZBRSA-N 1 0 314.473 4.257 20 30 DIEDRO Cc1ccc(C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000185831249 333214699 /nfs/dbraw/zinc/21/46/99/333214699.db2.gz ZCAHMWYDNJNORT-QKNQBKEWSA-N 1 0 319.452 4.346 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000185847406 333214956 /nfs/dbraw/zinc/21/49/56/333214956.db2.gz UQBHVMJQVSRBMS-DOMZBBRYSA-N 1 0 301.821 4.036 20 30 DIEDRO COc1ccsc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000186226415 333217801 /nfs/dbraw/zinc/21/78/01/333217801.db2.gz WYRCRZLWFKGUFL-ZFWWWQNUSA-N 1 0 300.427 4.452 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000497198066 333220871 /nfs/dbraw/zinc/22/08/71/333220871.db2.gz IXNWSZUVHMXRDX-UHFFFAOYSA-N 1 0 317.454 4.344 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000497263988 333229006 /nfs/dbraw/zinc/22/90/06/333229006.db2.gz VJDLUKIZJWIURJ-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO C=CCC(F)(F)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000294863430 335128700 /nfs/dbraw/zinc/12/87/00/335128700.db2.gz CCZLQMYBIZQXLM-UHFFFAOYSA-N 1 0 319.355 4.000 20 30 DIEDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497618730 333270840 /nfs/dbraw/zinc/27/08/40/333270840.db2.gz HCAVTYFMGFEYQW-OAHLLOKOSA-N 1 0 323.396 4.358 20 30 DIEDRO N#CCCCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190598699 333272410 /nfs/dbraw/zinc/27/24/10/333272410.db2.gz FYAWJIYPXVGKOP-ZDUSSCGKSA-N 1 0 313.264 4.245 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000540397925 333272854 /nfs/dbraw/zinc/27/28/54/333272854.db2.gz NODAHXJNLPVTLI-MEDUHNTESA-N 1 0 314.256 4.219 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cnn1C(C)C ZINC000191388438 333279767 /nfs/dbraw/zinc/27/97/67/333279767.db2.gz QADVJWFQJQWTLL-DNVCBOLYSA-N 1 0 310.445 4.468 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192043477 333284665 /nfs/dbraw/zinc/28/46/65/333284665.db2.gz JTKMBWSIHKZDPO-HZPDHXFCSA-N 1 0 306.837 4.090 20 30 DIEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492609379 333305056 /nfs/dbraw/zinc/30/50/56/333305056.db2.gz SZJKAAVYJQTVDH-RISCZKNCSA-N 1 0 307.235 4.084 20 30 DIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000525786554 333312116 /nfs/dbraw/zinc/31/21/16/333312116.db2.gz ZBLAKWTVMIWSHJ-HXUWFJFHSA-N 1 0 323.415 4.100 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000221945749 333384213 /nfs/dbraw/zinc/38/42/13/333384213.db2.gz PEMWLGYRIDPTQP-AWEZNQCLSA-N 1 0 301.455 4.418 20 30 DIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000563117874 333393170 /nfs/dbraw/zinc/39/31/70/333393170.db2.gz POQPDUASGSMROG-UHFFFAOYSA-N 1 0 317.436 4.016 20 30 DIEDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000365551904 333409797 /nfs/dbraw/zinc/40/97/97/333409797.db2.gz FBPHGYRGSBWOBE-GUDVDZBRSA-N 1 0 322.456 4.081 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000320168915 333435179 /nfs/dbraw/zinc/43/51/79/333435179.db2.gz MCKZUFDPGLGTEE-UHFFFAOYSA-N 1 0 302.377 4.010 20 30 DIEDRO N#CCCCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000337325295 333445871 /nfs/dbraw/zinc/44/58/71/333445871.db2.gz BSRUDFJGBDAJJR-UHFFFAOYSA-N 1 0 314.379 4.380 20 30 DIEDRO C=CCCCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000338793812 333498569 /nfs/dbraw/zinc/49/85/69/333498569.db2.gz OJKTXHZWAPIUJB-ZWKOTPCHSA-N 1 0 301.430 4.114 20 30 DIEDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000338958279 333503411 /nfs/dbraw/zinc/50/34/11/333503411.db2.gz UJLFUUCCLBOKAD-INIZCTEOSA-N 1 0 324.424 4.229 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)C1 ZINC000338994003 333504195 /nfs/dbraw/zinc/50/41/95/333504195.db2.gz AMAKCUWAIAVKDF-CJNGLKHVSA-N 1 0 311.404 4.179 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000531720293 333550865 /nfs/dbraw/zinc/55/08/65/333550865.db2.gz KDQIQGUHKKWLOR-MGPUTAFESA-N 1 0 316.464 4.079 20 30 DIEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000563353317 333594984 /nfs/dbraw/zinc/59/49/84/333594984.db2.gz NQWIUXKCZZQTMT-PJSAGSTRSA-N 1 0 311.816 4.094 20 30 DIEDRO CC(C)(C)[NH+]1CCC(Nc2cccc(C(F)F)c2C#N)CC1 ZINC000563418293 333602975 /nfs/dbraw/zinc/60/29/75/333602975.db2.gz SRDRQIZHXVRBAQ-UHFFFAOYSA-N 1 0 307.388 4.171 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000563671395 333653866 /nfs/dbraw/zinc/65/38/66/333653866.db2.gz YRVZIMDTBUCETI-MRXNPFEDSA-N 1 0 319.518 4.388 20 30 DIEDRO COc1ccc(OC)c([C@H](C)[NH2+]CCC2(C#N)CCCCC2)c1 ZINC000411440365 333672689 /nfs/dbraw/zinc/67/26/89/333672689.db2.gz RWIWCBMFFDYZEK-HNNXBMFYSA-N 1 0 316.445 4.219 20 30 DIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccccc1-n1cccn1 ZINC000411466185 333677247 /nfs/dbraw/zinc/67/72/47/333677247.db2.gz ZJUSRVYWECFDAA-QGZVFWFLSA-N 1 0 322.456 4.387 20 30 DIEDRO Cc1csc(C2([NH2+]CCC3(C#N)CCCCC3)CCC2)n1 ZINC000411518637 333687180 /nfs/dbraw/zinc/68/71/80/333687180.db2.gz JMEXBSIPTDVMDC-UHFFFAOYSA-N 1 0 303.475 4.285 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1sccc1OC ZINC000186160275 335156677 /nfs/dbraw/zinc/15/66/77/335156677.db2.gz UYLKLQCLLISDMY-CYBMUJFWSA-N 1 0 303.427 4.172 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(C3CCCCC3)s2)C1 ZINC000571391776 333781860 /nfs/dbraw/zinc/78/18/60/333781860.db2.gz MGPNFLIKTOXUMD-ZFWWWQNUSA-N 1 0 303.475 4.363 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000343442860 335165126 /nfs/dbraw/zinc/16/51/26/335165126.db2.gz NBKIXNQSSZBUAO-UHFFFAOYSA-N 1 0 302.443 4.038 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000266217807 333972476 /nfs/dbraw/zinc/97/24/76/333972476.db2.gz QIKGZLZLHSJDCC-UHFFFAOYSA-N 1 0 323.440 4.080 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000414506444 334001049 /nfs/dbraw/zinc/00/10/49/334001049.db2.gz WMJQAJDOKIFSNK-OCCSQVGLSA-N 1 0 317.845 4.094 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccn1 ZINC000271059465 334017895 /nfs/dbraw/zinc/01/78/95/334017895.db2.gz FUMXCCJSYOYASS-PPDQVPDSSA-N 1 0 305.425 4.136 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271262619 334020667 /nfs/dbraw/zinc/02/06/67/334020667.db2.gz KXTKTXSSAVNODN-IAGOWNOFSA-N 1 0 318.461 4.278 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000271476086 334023533 /nfs/dbraw/zinc/02/35/33/334023533.db2.gz IAYZODNZTKPVQS-GPJFCIFZSA-N 1 0 324.468 4.082 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000271492428 334024042 /nfs/dbraw/zinc/02/40/42/334024042.db2.gz PASMPDYJGRJYBT-FQEVSTJZSA-N 1 0 306.409 4.386 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000271517199 334024065 /nfs/dbraw/zinc/02/40/65/334024065.db2.gz UHHRIDYTIJMYGG-WOJBJXKFSA-N 1 0 306.409 4.015 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(C#N)cc1 ZINC000271654955 334025163 /nfs/dbraw/zinc/02/51/63/334025163.db2.gz JXOKAQRGULLYFP-HNNXBMFYSA-N 1 0 303.409 4.210 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000271863444 334027747 /nfs/dbraw/zinc/02/77/47/334027747.db2.gz KWOROVQCPUXGQN-CABCVRRESA-N 1 0 312.388 4.182 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000437095924 334027910 /nfs/dbraw/zinc/02/79/10/334027910.db2.gz XYJHRTOOVKGHLI-YGRLFVJLSA-N 1 0 302.315 4.325 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000271879832 334028333 /nfs/dbraw/zinc/02/83/33/334028333.db2.gz PCZUWZZXCHBYRJ-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000271914433 334028782 /nfs/dbraw/zinc/02/87/82/334028782.db2.gz BUNGVBBEXWGNKQ-RHSMWYFYSA-N 1 0 316.420 4.230 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000272004723 334029449 /nfs/dbraw/zinc/02/94/49/334029449.db2.gz IRGXUMJVGDMUSV-GFCCVEGCSA-N 1 0 314.351 4.218 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000271993223 334029542 /nfs/dbraw/zinc/02/95/42/334029542.db2.gz FMXUSPIZQPMTGI-JKSUJKDBSA-N 1 0 320.502 4.356 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1OCC ZINC000272029492 334029692 /nfs/dbraw/zinc/02/96/92/334029692.db2.gz OXMFWDIFENWWBE-AWEZNQCLSA-N 1 0 304.434 4.074 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000272197143 334031803 /nfs/dbraw/zinc/03/18/03/334031803.db2.gz IKQCYJUHYXSUKM-AWEZNQCLSA-N 1 0 321.380 4.115 20 30 DIEDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272603326 334038106 /nfs/dbraw/zinc/03/81/06/334038106.db2.gz RCWSLOBFFDPZQE-LBPRGKRZSA-N 1 0 312.335 4.272 20 30 DIEDRO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272602217 334038114 /nfs/dbraw/zinc/03/81/14/334038114.db2.gz RCWSLOBFFDPZQE-GFCCVEGCSA-N 1 0 312.335 4.272 20 30 DIEDRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCC#N ZINC000273178020 334043976 /nfs/dbraw/zinc/04/39/76/334043976.db2.gz DJZQRFXMQFSBOC-NSHDSACASA-N 1 0 303.406 4.212 20 30 DIEDRO C[N@H+](CC(C)(C)CCC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273476936 334048030 /nfs/dbraw/zinc/04/80/30/334048030.db2.gz KLLLGCYSOAPEBP-QZTJIDSGSA-N 1 0 318.436 4.308 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C3CCC(C(F)(F)F)CC3)CC2)c1 ZINC000274325891 334059824 /nfs/dbraw/zinc/05/98/24/334059824.db2.gz ZVSGJCMBCQKIOF-UHFFFAOYSA-N 1 0 308.347 4.258 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000274625326 334064079 /nfs/dbraw/zinc/06/40/79/334064079.db2.gz NLDGGKWOBLXRHP-JGGQBBKZSA-N 1 0 311.454 4.461 20 30 DIEDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343530663 335175215 /nfs/dbraw/zinc/17/52/15/335175215.db2.gz CWHQHODDEHUMQS-UHFFFAOYSA-N 1 0 307.441 4.008 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000277636492 334089617 /nfs/dbraw/zinc/08/96/17/334089617.db2.gz HEOPWJLXEGZDNK-LJQANCHMSA-N 1 0 314.473 4.078 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000278718459 334100153 /nfs/dbraw/zinc/10/01/53/334100153.db2.gz UXPQIXRCYGIJOH-OZOXKJRCSA-N 1 0 302.421 4.326 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)C1 ZINC000278828801 334102053 /nfs/dbraw/zinc/10/20/53/334102053.db2.gz TUCWNSSVYBHVNM-WCQYABFASA-N 1 0 319.861 4.164 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000278846398 334102184 /nfs/dbraw/zinc/10/21/84/334102184.db2.gz REOKATPBIYBRHI-QGZVFWFLSA-N 1 0 300.446 4.107 20 30 DIEDRO COCc1ccc([C@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)o1 ZINC000278864143 334102495 /nfs/dbraw/zinc/10/24/95/334102495.db2.gz SGASVSWDGNAITP-MRXNPFEDSA-N 1 0 304.434 4.283 20 30 DIEDRO Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000279574315 334110280 /nfs/dbraw/zinc/11/02/80/334110280.db2.gz AWMDMMCAKDDNOL-HQRMLTQVSA-N 1 0 305.425 4.151 20 30 DIEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000279651592 334110926 /nfs/dbraw/zinc/11/09/26/334110926.db2.gz BYFZWZTZYSIPSC-DBVUQKKJSA-N 1 0 308.425 4.397 20 30 DIEDRO Cc1nc2ccccc2n1C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000279828670 334112254 /nfs/dbraw/zinc/11/22/54/334112254.db2.gz QALYMQMCFITZHU-UHFFFAOYSA-N 1 0 324.472 4.312 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000281215308 334123915 /nfs/dbraw/zinc/12/39/15/334123915.db2.gz BICBXERKMJNHSP-HNNXBMFYSA-N 1 0 318.486 4.160 20 30 DIEDRO N#CC1(CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCOCC1 ZINC000281473924 334126359 /nfs/dbraw/zinc/12/63/59/334126359.db2.gz WCKQECKIHMNYSN-RBUKOAKNSA-N 1 0 312.457 4.013 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000531884913 334127805 /nfs/dbraw/zinc/12/78/05/334127805.db2.gz GSNMXVDVCQIHBM-UHFFFAOYSA-N 1 0 303.377 4.076 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000281816295 334128433 /nfs/dbraw/zinc/12/84/33/334128433.db2.gz WLVSKBIOGCBDRE-UHFFFAOYSA-N 1 0 314.401 4.155 20 30 DIEDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281958302 334130058 /nfs/dbraw/zinc/13/00/58/334130058.db2.gz KEHQVIKJUQXDDZ-AWEZNQCLSA-N 1 0 322.399 4.058 20 30 DIEDRO CC(C)c1ccc(C[N@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282008175 334130344 /nfs/dbraw/zinc/13/03/44/334130344.db2.gz OEYWOANHBIUIDQ-UHFFFAOYSA-N 1 0 314.473 4.342 20 30 DIEDRO Cc1cccc([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)c1C ZINC000281999200 334130347 /nfs/dbraw/zinc/13/03/47/334130347.db2.gz NJSJXMXAKHINSU-KRWDZBQOSA-N 1 0 300.446 4.055 20 30 DIEDRO N#CC1(CCC[NH2+]C2(c3cccc(Cl)c3)CC2)CCOCC1 ZINC000282084279 334131194 /nfs/dbraw/zinc/13/11/94/334131194.db2.gz UTJFCCDBWOENMC-UHFFFAOYSA-N 1 0 318.848 4.019 20 30 DIEDRO CCC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000282114967 334131352 /nfs/dbraw/zinc/13/13/52/334131352.db2.gz XFRVBUIEBQMRDZ-SFHVURJKSA-N 1 0 300.446 4.218 20 30 DIEDRO N#CC1(CCC[NH2+][C@H](c2ccccc2)C2CCC2)CCOCC1 ZINC000282127516 334131853 /nfs/dbraw/zinc/13/18/53/334131853.db2.gz YJQCBWIWXIHOEF-LJQANCHMSA-N 1 0 312.457 4.218 20 30 DIEDRO N#CC1(CCC[NH2+][C@@H](c2ccccc2)C2CCC2)CCOCC1 ZINC000282127513 334131882 /nfs/dbraw/zinc/13/18/82/334131882.db2.gz YJQCBWIWXIHOEF-IBGZPJMESA-N 1 0 312.457 4.218 20 30 DIEDRO Cc1ccc([C@@H](C)[N@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282143116 334131957 /nfs/dbraw/zinc/13/19/57/334131957.db2.gz ZRRNWSHUXRISNL-QGZVFWFLSA-N 1 0 300.446 4.088 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000282397266 334134104 /nfs/dbraw/zinc/13/41/04/334134104.db2.gz RKLBQOBVQPXJHZ-LEOMRAHMSA-N 1 0 310.441 4.352 20 30 DIEDRO N#CC1CCC(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000282492838 334135021 /nfs/dbraw/zinc/13/50/21/334135021.db2.gz XQDGZWCVNYDGEX-UHFFFAOYSA-N 1 0 300.446 4.155 20 30 DIEDRO CC[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000285448985 334148124 /nfs/dbraw/zinc/14/81/24/334148124.db2.gz MANUHQMIFSEAGR-OAHLLOKOSA-N 1 0 304.434 4.074 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)c(C)c1OC ZINC000286691658 334153980 /nfs/dbraw/zinc/15/39/80/334153980.db2.gz DBYJBEPCXWALOC-OAHLLOKOSA-N 1 0 318.461 4.383 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1cccs1 ZINC000286951287 334155146 /nfs/dbraw/zinc/15/51/46/334155146.db2.gz MOWJVGRKTOFCLV-KRWDZBQOSA-N 1 0 312.438 4.234 20 30 DIEDRO COC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(Cl)c1F ZINC000286969998 334155296 /nfs/dbraw/zinc/15/52/96/334155296.db2.gz IKRCSBHSTUSBFW-SEEARECTSA-N 1 0 324.827 4.086 20 30 DIEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CCC(F)(F)CC1 ZINC000286999054 334155821 /nfs/dbraw/zinc/15/58/21/334155821.db2.gz PXUPKURHFYYZLC-UHFFFAOYSA-N 1 0 306.400 4.497 20 30 DIEDRO CC(C)(CCC#N)C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000289183017 334163858 /nfs/dbraw/zinc/16/38/58/334163858.db2.gz APRRGVYIVUBEGJ-UHFFFAOYSA-N 1 0 321.468 4.456 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289464867 334165585 /nfs/dbraw/zinc/16/55/85/334165585.db2.gz YOEHJNAMNCYVIA-UHFFFAOYSA-N 1 0 317.436 4.172 20 30 DIEDRO COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000290504998 334173176 /nfs/dbraw/zinc/17/31/76/334173176.db2.gz YJRBCMNQGWNTOY-QZTJIDSGSA-N 1 0 324.399 4.456 20 30 DIEDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000290504995 334173221 /nfs/dbraw/zinc/17/32/21/334173221.db2.gz YJRBCMNQGWNTOY-MSOLQXFVSA-N 1 0 324.399 4.456 20 30 DIEDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C#N)CCC#N ZINC000293159940 334196208 /nfs/dbraw/zinc/19/62/08/334196208.db2.gz UUZQGVSQGHFHTM-SJLPKXTDSA-N 1 0 317.864 4.330 20 30 DIEDRO COc1cc2c(cc1Cl)C[N@H+](CCCC(C)(C)C#N)CC2 ZINC000293311774 334197138 /nfs/dbraw/zinc/19/71/38/334197138.db2.gz XBLOFKMXZLFMRH-UHFFFAOYSA-N 1 0 306.837 4.037 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293833597 334202651 /nfs/dbraw/zinc/20/26/51/334202651.db2.gz WOXNQESZJMTREC-ZXNZYJFHSA-N 1 0 320.436 4.133 20 30 DIEDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340445953 334203415 /nfs/dbraw/zinc/20/34/15/334203415.db2.gz MJAGGWFFOIFWAW-RTWAWAEBSA-N 1 0 322.452 4.269 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(C2CC2)c1 ZINC000294880870 334213990 /nfs/dbraw/zinc/21/39/90/334213990.db2.gz UTKFRJUMMXAEQO-HNNXBMFYSA-N 1 0 306.409 4.317 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)cc1 ZINC000294912532 334214180 /nfs/dbraw/zinc/21/41/80/334214180.db2.gz AIZMPGYDQRNPLB-XUJVJEKNSA-N 1 0 307.235 4.182 20 30 DIEDRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[C@@H](CC#N)C3)s2)cc1 ZINC000294916785 334214322 /nfs/dbraw/zinc/21/43/22/334214322.db2.gz AOTNYLZVTKDHOV-HOCLYGCPSA-N 1 0 311.454 4.291 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c(OC(F)F)cc1C ZINC000294951659 334214463 /nfs/dbraw/zinc/21/44/63/334214463.db2.gz DBFQAGTWKPGQRO-ZFWWWQNUSA-N 1 0 308.372 4.077 20 30 DIEDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294957525 334214700 /nfs/dbraw/zinc/21/47/00/334214700.db2.gz DNWFSSHPTYZTIK-KBMXLJTQSA-N 1 0 322.399 4.281 20 30 DIEDRO CCCOc1c(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cccc1OCC ZINC000295138086 334219617 /nfs/dbraw/zinc/21/96/17/334219617.db2.gz ZCODMBVHLBNTCK-RDJZCZTQSA-N 1 0 316.445 4.046 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000296642377 334235657 /nfs/dbraw/zinc/23/56/57/334235657.db2.gz YDCPRSCEFYFQLJ-QANKJYHBSA-N 1 0 302.849 4.333 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1Br ZINC000296659098 334235845 /nfs/dbraw/zinc/23/58/45/334235845.db2.gz ZPYHSWJYIMRNKF-AGIUHOORSA-N 1 0 307.235 4.182 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2cccs2)CC1 ZINC000299405956 334255245 /nfs/dbraw/zinc/25/52/45/334255245.db2.gz OQSRSMMFZNSANW-UHFFFAOYSA-N 1 0 310.466 4.284 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H](C)CCC#N)ccc1OCC(C)C ZINC000299519797 334256043 /nfs/dbraw/zinc/25/60/43/334256043.db2.gz CVYABYQUVPJVHF-CABCVRRESA-N 1 0 304.434 4.073 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000299646132 334256798 /nfs/dbraw/zinc/25/67/98/334256798.db2.gz KRIJBRCGXZVCRM-CVEARBPZSA-N 1 0 321.424 4.282 20 30 DIEDRO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@H](C)CCC#N)C3)cs1 ZINC000299713558 334257537 /nfs/dbraw/zinc/25/75/37/334257537.db2.gz QVVWHFWAIUUDSF-LLVKDONJSA-N 1 0 317.483 4.230 20 30 DIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)CCC#N)cc1OC ZINC000299731365 334257805 /nfs/dbraw/zinc/25/78/05/334257805.db2.gz XDEZDNWVJIWPFX-CABCVRRESA-N 1 0 304.434 4.217 20 30 DIEDRO Cc1cc([C@H]2CN([C@@H](C)c3cccc(C#N)c3)CCO2)ccc1F ZINC000187700343 334269186 /nfs/dbraw/zinc/26/91/86/334269186.db2.gz NJZHGOPWVFZNKL-MGPUTAFESA-N 1 0 324.399 4.140 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)N1CCc2c3ccccc3[nH]c2C1 ZINC000187706425 334269372 /nfs/dbraw/zinc/26/93/72/334269372.db2.gz PHPQADXJPSCCGX-CQSZACIVSA-N 1 0 301.393 4.159 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000187717518 334269693 /nfs/dbraw/zinc/26/96/93/334269693.db2.gz DZXOZHNDPZLXAG-NSHDSACASA-N 1 0 304.315 4.169 20 30 DIEDRO C[N@H+](CCCNc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000110531690 334282623 /nfs/dbraw/zinc/28/26/23/334282623.db2.gz JLBANAQJWZYALY-UHFFFAOYSA-N 1 0 313.832 4.146 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2c(C)cc(Cl)cc2C)CC1 ZINC000534564208 334286451 /nfs/dbraw/zinc/28/64/51/334286451.db2.gz IDJZXUQATZZEOO-UHFFFAOYSA-N 1 0 306.881 4.087 20 30 DIEDRO N#CC1CCC(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000443060945 338442668 /nfs/dbraw/zinc/44/26/68/338442668.db2.gz HSJKZILECJQKBS-UHFFFAOYSA-N 1 0 308.828 4.331 20 30 DIEDRO COc1cc(C[NH+]2CCC(F)(c3ccccc3)CC2)ccc1C#N ZINC000443063164 338442706 /nfs/dbraw/zinc/44/27/06/338442706.db2.gz CTBFTNGWDLVJLF-UHFFFAOYSA-N 1 0 324.399 4.028 20 30 DIEDRO COc1ccc(CCC[N@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000303723451 334329741 /nfs/dbraw/zinc/32/97/41/334329741.db2.gz SEASSIFNJAAPJR-MRXNPFEDSA-N 1 0 308.425 4.192 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2C#N)C12CCCCC2 ZINC000303840191 334336327 /nfs/dbraw/zinc/33/63/27/334336327.db2.gz BMDOMZAZHWGDJZ-RTBURBONSA-N 1 0 312.457 4.118 20 30 DIEDRO C=CCCOCC[NH2+]Cc1ccc(-c2cccc(F)c2C)o1 ZINC000535248465 334382348 /nfs/dbraw/zinc/38/23/48/334382348.db2.gz XMSBWGMTYQZNIK-UHFFFAOYSA-N 1 0 303.377 4.076 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000341712398 334473039 /nfs/dbraw/zinc/47/30/39/334473039.db2.gz XASVZBAFAKXCFV-JLTOFOAXSA-N 1 0 301.393 4.158 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(Cl)s1 ZINC000341760886 334478164 /nfs/dbraw/zinc/47/81/64/334478164.db2.gz NWQYGCWJTZUXSS-HNNXBMFYSA-N 1 0 302.830 4.440 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341814434 334481752 /nfs/dbraw/zinc/48/17/52/334481752.db2.gz PGZPNAUXKTXWIW-VQTJNVASSA-N 1 0 318.420 4.221 20 30 DIEDRO C=CCC[C@H]([NH2+]CCn1ccnc1)c1ccc(C(F)(F)F)cc1 ZINC000342192316 334516220 /nfs/dbraw/zinc/51/62/20/334516220.db2.gz LWTGEVIUENTRAW-INIZCTEOSA-N 1 0 323.362 4.199 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000187977598 334606432 /nfs/dbraw/zinc/60/64/32/334606432.db2.gz PEEQWSMCVDJCBH-AWEZNQCLSA-N 1 0 300.471 4.202 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000417369455 334764740 /nfs/dbraw/zinc/76/47/40/334764740.db2.gz REQFQBYGQQHLAF-ZSXPUABSSA-N 1 0 324.468 4.121 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CCSCC1 ZINC000417372010 334764905 /nfs/dbraw/zinc/76/49/05/334764905.db2.gz VJIPSJILMKPMBW-UGSOOPFHSA-N 1 0 300.471 4.057 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000417372422 334764985 /nfs/dbraw/zinc/76/49/85/334764985.db2.gz WBBSRXUSQAOWRX-SFFNPBHPSA-N 1 0 324.468 4.121 20 30 DIEDRO CC(C)[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417373247 334765015 /nfs/dbraw/zinc/76/50/15/334765015.db2.gz XAJCBXNFBXTRCJ-PMACEKPBSA-N 1 0 305.425 4.318 20 30 DIEDRO CCCCOc1cccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c1 ZINC000443955386 338464267 /nfs/dbraw/zinc/46/42/67/338464267.db2.gz CPCTVRUJKCBCJA-UHFFFAOYSA-N 1 0 308.425 4.335 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCSc3c(F)cccc32)ccc1C#N ZINC000443964912 338464554 /nfs/dbraw/zinc/46/45/54/338464554.db2.gz VSPWYKVLFKYTJG-KRWDZBQOSA-N 1 0 312.413 4.333 20 30 DIEDRO Cc1cc(C[NH2+]CCCn2ccc3ccccc32)ccc1C#N ZINC000443967229 338464695 /nfs/dbraw/zinc/46/46/95/338464695.db2.gz ZIFPCBVMSIPORK-UHFFFAOYSA-N 1 0 303.409 4.001 20 30 DIEDRO Cc1cc(C[NH2+]C2(CCOCc3ccccc3)CC2)ccc1C#N ZINC000444003628 338466649 /nfs/dbraw/zinc/46/66/49/338466649.db2.gz UQFPKZIHACECLF-UHFFFAOYSA-N 1 0 320.436 4.096 20 30 DIEDRO N#Cc1csc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)c1 ZINC000425976205 334875205 /nfs/dbraw/zinc/87/52/05/334875205.db2.gz FIJCABXVGSLLBH-UHFFFAOYSA-N 1 0 314.376 4.365 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC(C)C)c2cccs2)CC1 ZINC000153011504 334895457 /nfs/dbraw/zinc/89/54/57/334895457.db2.gz DFAXQKHKTFADJM-KRWDZBQOSA-N 1 0 306.519 4.465 20 30 DIEDRO N#CCCCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426012475 334901350 /nfs/dbraw/zinc/90/13/50/334901350.db2.gz FKJHUZYTMZMUJY-SFHVURJKSA-N 1 0 313.832 4.302 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000189578135 334902261 /nfs/dbraw/zinc/90/22/61/334902261.db2.gz XYMOSICTJTUDQB-SNVBAGLBSA-N 1 0 308.212 4.054 20 30 DIEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC000343622981 335182267 /nfs/dbraw/zinc/18/22/67/335182267.db2.gz MRELVPHHTWVQSU-QGZVFWFLSA-N 1 0 312.388 4.402 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000343626410 335182612 /nfs/dbraw/zinc/18/26/12/335182612.db2.gz XCWDDCCITMDNHK-IBGZPJMESA-N 1 0 318.420 4.137 20 30 DIEDRO C=C(C[NH2+]Cc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000343759074 335191102 /nfs/dbraw/zinc/19/11/02/335191102.db2.gz HHSIHOXWBGEORO-UHFFFAOYSA-N 1 0 307.422 4.008 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1COc2ccccc21 ZINC000343930644 335202817 /nfs/dbraw/zinc/20/28/17/335202817.db2.gz LZBAAWLAPRHLLS-FXAWDEMLSA-N 1 0 318.420 4.092 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000344002713 335207037 /nfs/dbraw/zinc/20/70/37/335207037.db2.gz BGVMSBLMMZFZLF-UGSOOPFHSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000344014060 335212818 /nfs/dbraw/zinc/21/28/18/335212818.db2.gz KJLKSHDKPBDJQX-ACJLOTCBSA-N 1 0 310.372 4.262 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)CN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000344048000 335212911 /nfs/dbraw/zinc/21/29/11/335212911.db2.gz KORQHONGRRLJKZ-UWJYYQICSA-N 1 0 321.468 4.119 20 30 DIEDRO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000344057757 335213985 /nfs/dbraw/zinc/21/39/85/335213985.db2.gz WSYHQEHBJSDRGC-UHFFFAOYSA-N 1 0 324.428 4.151 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C12CCCC2 ZINC000344339304 335242431 /nfs/dbraw/zinc/24/24/31/335242431.db2.gz WSBNQTVTIBHPAK-IPMKNSEASA-N 1 0 312.457 4.359 20 30 DIEDRO N#CCCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000344356077 335243949 /nfs/dbraw/zinc/24/39/49/335243949.db2.gz LWIQBKGEVBIYHP-UHFFFAOYSA-N 1 0 308.303 4.359 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000348024304 335546281 /nfs/dbraw/zinc/54/62/81/335546281.db2.gz BJUYRPYBTAAFQK-AWEZNQCLSA-N 1 0 316.470 4.362 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000348222991 335563103 /nfs/dbraw/zinc/56/31/03/335563103.db2.gz XGRMIZABZGUXBA-AEFFLSMTSA-N 1 0 300.446 4.074 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000348248060 335567555 /nfs/dbraw/zinc/56/75/55/335567555.db2.gz VQNMKVLWSAKMRR-OAHLLOKOSA-N 1 0 306.837 4.473 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000367034911 335588912 /nfs/dbraw/zinc/58/89/12/335588912.db2.gz FIGKENGXZZWLII-GMNCBBECSA-N 1 0 311.473 4.336 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000191156546 335624213 /nfs/dbraw/zinc/62/42/13/335624213.db2.gz MIUHURJPWLQMRB-LLVKDONJSA-N 1 0 308.303 4.063 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000349443704 335672383 /nfs/dbraw/zinc/67/23/83/335672383.db2.gz AGXFSINONRRUPW-SMDDNHRTSA-N 1 0 310.235 4.217 20 30 DIEDRO C[C@H](Cc1ccncc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350473791 335755991 /nfs/dbraw/zinc/75/59/91/335755991.db2.gz FWBWDWHZKWTLKZ-MDMXATFFSA-N 1 0 319.452 4.006 20 30 DIEDRO C[C@H]([NH2+]Cc1cscc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000519129972 335803970 /nfs/dbraw/zinc/80/39/70/335803970.db2.gz XWNXTBQJDKPKOU-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccccc1-c1ccnn1C ZINC000351397859 336032197 /nfs/dbraw/zinc/03/21/97/336032197.db2.gz NOZCBZVQILHAHL-UHFFFAOYSA-N 1 0 324.472 4.239 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[C@@H]1C ZINC000351582575 336046883 /nfs/dbraw/zinc/04/68/83/336046883.db2.gz QNBMFUPBIJLOLO-RYRKJORJSA-N 1 0 300.446 4.283 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332239692 336164429 /nfs/dbraw/zinc/16/44/29/336164429.db2.gz UFQKYRJUBGDYEH-IAGOWNOFSA-N 1 0 313.445 4.283 20 30 DIEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695798 336179308 /nfs/dbraw/zinc/17/93/08/336179308.db2.gz VAVBJGNHYZAWJL-DOTOQJQBSA-N 1 0 324.428 4.009 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(F)cc2cccnc21 ZINC000352702200 336231448 /nfs/dbraw/zinc/23/14/48/336231448.db2.gz UAELBXFXKQRXKY-UHFFFAOYSA-N 1 0 310.372 4.198 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2OC)cc1 ZINC000103172184 336238172 /nfs/dbraw/zinc/23/81/72/336238172.db2.gz LBXZNZLMUWQLAY-UHFFFAOYSA-N 1 0 311.425 4.285 20 30 DIEDRO C[N@H+](CCCNc1c(C#N)cnc2ccccc21)C1CCCCC1 ZINC000324656216 336240750 /nfs/dbraw/zinc/24/07/50/336240750.db2.gz YWUORHIEUQWKLH-UHFFFAOYSA-N 1 0 322.456 4.173 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC2CCOCC2)C(C)(C)C)cc1 ZINC000532398796 336244783 /nfs/dbraw/zinc/24/47/83/336244783.db2.gz KKVYOXWQUDVRJP-UHFFFAOYSA-N 1 0 317.473 4.279 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H]1Oc2ccccc2[C@H]1C ZINC000580366862 336260843 /nfs/dbraw/zinc/26/08/43/336260843.db2.gz GHYPAJDBVMCFGH-DHXFQYHUSA-N 1 0 318.420 4.088 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(OC)c(C#N)c1 ZINC000532745968 336269294 /nfs/dbraw/zinc/26/92/94/336269294.db2.gz ZVPVNRKNTVZIBS-UHFFFAOYSA-N 1 0 320.845 4.304 20 30 DIEDRO COc1ccc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1C#N ZINC000532745820 336269311 /nfs/dbraw/zinc/26/93/11/336269311.db2.gz CLQDMWWDSYEYQY-HXUWFJFHSA-N 1 0 318.420 4.219 20 30 DIEDRO Cc1ccccc1[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941919 336275247 /nfs/dbraw/zinc/27/52/47/336275247.db2.gz YNMMWJITYOVWHN-OXQOHEQNSA-N 1 0 306.409 4.001 20 30 DIEDRO C=C(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000352858311 336281825 /nfs/dbraw/zinc/28/18/25/336281825.db2.gz NYDSABQCZUDWJB-UHFFFAOYSA-N 1 0 307.397 4.106 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC000192909270 336284189 /nfs/dbraw/zinc/28/41/89/336284189.db2.gz VODNTKKZRHJYSZ-UTKZUKDTSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@H]([NH2+]C1(CNc2ncccc2C#N)CCCC1)c1ccccc1 ZINC000301158233 336292539 /nfs/dbraw/zinc/29/25/39/336292539.db2.gz CVJQMTRZPBJPQH-INIZCTEOSA-N 1 0 320.440 4.029 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301161199 336292585 /nfs/dbraw/zinc/29/25/85/336292585.db2.gz FCCUPZBUBBVFOH-UHFFFAOYSA-N 1 0 323.362 4.029 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1c(C#N)cnc2ccccc21 ZINC000301355921 336302194 /nfs/dbraw/zinc/30/21/94/336302194.db2.gz KKLDPBOHPGNQFM-INIZCTEOSA-N 1 0 322.456 4.173 20 30 DIEDRO N#Cc1cc(F)c(NC2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000301519483 336311959 /nfs/dbraw/zinc/31/19/59/336311959.db2.gz FAIKQWUIGMHIHA-UHFFFAOYSA-N 1 0 319.399 4.045 20 30 DIEDRO N#Cc1ccc(Cl)cc1NC1CC[NH+](C2CCCC2)CC1 ZINC000301548515 336314041 /nfs/dbraw/zinc/31/40/41/336314041.db2.gz QDHHRLUNXUWOLD-UHFFFAOYSA-N 1 0 303.837 4.031 20 30 DIEDRO C=CC[NH+]1CCC(Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000301608504 336318142 /nfs/dbraw/zinc/31/81/42/336318142.db2.gz OTQBPOBTTYCGMZ-UHFFFAOYSA-N 1 0 317.433 4.012 20 30 DIEDRO CC1CC[NH+](C2CCC(Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000301790017 336330081 /nfs/dbraw/zinc/33/00/81/336330081.db2.gz YOQNUPQCUHVYPR-UHFFFAOYSA-N 1 0 315.436 4.152 20 30 DIEDRO C[NH+](C)Cc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1F ZINC000301899555 336337193 /nfs/dbraw/zinc/33/71/93/336337193.db2.gz YEWQVYYDJZNLRC-UHFFFAOYSA-N 1 0 317.795 4.024 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccco1 ZINC000514106390 336361148 /nfs/dbraw/zinc/36/11/48/336361148.db2.gz YDRSDOBNDCGMQT-IAGOWNOFSA-N 1 0 314.429 4.307 20 30 DIEDRO C[N@@H+]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000302836988 336371506 /nfs/dbraw/zinc/37/15/06/336371506.db2.gz XAWMMTGKUMXJFF-ROUUACIJSA-N 1 0 311.816 4.069 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)nc1 ZINC000514612572 336386260 /nfs/dbraw/zinc/38/62/60/336386260.db2.gz QGKKIFNXJVWZDE-UHFFFAOYSA-N 1 0 311.816 4.166 20 30 DIEDRO C=CCc1cc(C[NH2+]Cc2sccc2C)cc(OC)c1OC ZINC000105478279 336387663 /nfs/dbraw/zinc/38/76/63/336387663.db2.gz PSLZBLMEYYYKNO-UHFFFAOYSA-N 1 0 317.454 4.092 20 30 DIEDRO N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000563978012 336389474 /nfs/dbraw/zinc/38/94/74/336389474.db2.gz RFBJBVYDTKRCKV-WKCHPHFGSA-N 1 0 302.421 4.469 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)C1 ZINC000193093657 336396962 /nfs/dbraw/zinc/39/69/62/336396962.db2.gz OUGAYEQYTZOWFA-IUODEOHRSA-N 1 0 319.246 4.110 20 30 DIEDRO C=C1CC[NH+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000353326275 336411947 /nfs/dbraw/zinc/41/19/47/336411947.db2.gz BNTCREITIYGKAB-UHFFFAOYSA-N 1 0 315.848 4.295 20 30 DIEDRO CC[C@@H]1C[C@@H](C[NH2+][C@H](CCCC#N)c2ccccc2)CCO1 ZINC000353911365 336447510 /nfs/dbraw/zinc/44/75/10/336447510.db2.gz BMFZBCVXMOBMIH-QXAKKESOSA-N 1 0 300.446 4.216 20 30 DIEDRO COc1ccsc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353913163 336447633 /nfs/dbraw/zinc/44/76/33/336447633.db2.gz HHBQKZSWDSPXTR-HNNXBMFYSA-N 1 0 300.427 4.281 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cccc(F)c1F)c1ccccc1 ZINC000353914013 336447673 /nfs/dbraw/zinc/44/76/73/336447673.db2.gz JZPUOUPJJWQMPA-KRWDZBQOSA-N 1 0 300.352 4.490 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000353916220 336448094 /nfs/dbraw/zinc/44/80/94/336448094.db2.gz OZDSFAAAMCKVOE-LJQANCHMSA-N 1 0 307.372 4.222 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000358300402 336622629 /nfs/dbraw/zinc/62/26/29/336622629.db2.gz OWFKKPIALAYKOV-MRXNPFEDSA-N 1 0 309.837 4.044 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(C#N)cc1 ZINC000359026219 336653933 /nfs/dbraw/zinc/65/39/33/336653933.db2.gz GZWAJJUZZYJDFU-LJQANCHMSA-N 1 0 301.393 4.347 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(C#N)cc1 ZINC000359026218 336653946 /nfs/dbraw/zinc/65/39/46/336653946.db2.gz GZWAJJUZZYJDFU-IBGZPJMESA-N 1 0 301.393 4.347 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C1CCOCC1 ZINC000360657081 336717806 /nfs/dbraw/zinc/71/78/06/336717806.db2.gz LVYPBFATIUUKPY-VQTJNVASSA-N 1 0 312.457 4.121 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)c1 ZINC000360773371 336721795 /nfs/dbraw/zinc/72/17/95/336721795.db2.gz RROGPDHWUKSPKT-UONOGXRCSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cc(F)cc(F)c1 ZINC000360838157 336723934 /nfs/dbraw/zinc/72/39/34/336723934.db2.gz AZQRJNWUIHEHBO-LJQANCHMSA-N 1 0 312.363 4.394 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367828285 336830228 /nfs/dbraw/zinc/83/02/28/336830228.db2.gz SXUSBCNAWVTTGP-WHSLLNHNSA-N 1 0 320.436 4.443 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000371580234 336908293 /nfs/dbraw/zinc/90/82/93/336908293.db2.gz CHKALFHIKXJZON-KRWDZBQOSA-N 1 0 314.477 4.295 20 30 DIEDRO CC(C)n1ncc2c1[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000372084025 336921678 /nfs/dbraw/zinc/92/16/78/336921678.db2.gz QADRZZIONXVXMJ-RDTXWAMCSA-N 1 0 308.429 4.064 20 30 DIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000389952112 336927677 /nfs/dbraw/zinc/92/76/77/336927677.db2.gz XNDBLWJAUKZSFJ-IAGOWNOFSA-N 1 0 308.425 4.204 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000373203687 336952451 /nfs/dbraw/zinc/95/24/51/336952451.db2.gz GUZFQMDUMPEKSB-LJQANCHMSA-N 1 0 312.457 4.338 20 30 DIEDRO Cc1oncc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000373419788 336959514 /nfs/dbraw/zinc/95/95/14/336959514.db2.gz BAJYMOZTFKFFOL-CQSZACIVSA-N 1 0 317.392 4.373 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374691322 336995222 /nfs/dbraw/zinc/99/52/22/336995222.db2.gz CZCZMCGRXNDSKZ-MRXNPFEDSA-N 1 0 315.420 4.415 20 30 DIEDRO CC[C@@H](c1ccccc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376738339 337040191 /nfs/dbraw/zinc/04/01/91/337040191.db2.gz DSMDUHOFZOBRHT-SFHVURJKSA-N 1 0 305.425 4.090 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000377510465 337054009 /nfs/dbraw/zinc/05/40/09/337054009.db2.gz GFGNCUCSMHYRLW-HNNXBMFYSA-N 1 0 307.235 4.280 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000377795886 337061218 /nfs/dbraw/zinc/06/12/18/337061218.db2.gz IJTBRELVRDYESM-BEVDRBHNSA-N 1 0 306.409 4.129 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000378146458 337067145 /nfs/dbraw/zinc/06/71/45/337067145.db2.gz GKRICNZEGWMKAY-AEGPPILISA-N 1 0 324.921 4.134 20 30 DIEDRO CC1CCC(OC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000378330404 337069921 /nfs/dbraw/zinc/06/99/21/337069921.db2.gz AGDADBKGRLAMDH-UHFFFAOYSA-N 1 0 318.486 4.179 20 30 DIEDRO N#CCSCCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360039094 337084080 /nfs/dbraw/zinc/08/40/80/337084080.db2.gz XMKMTJZYBOJUJU-OAHLLOKOSA-N 1 0 315.442 4.002 20 30 DIEDRO N#CCSCCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360039093 337084218 /nfs/dbraw/zinc/08/42/18/337084218.db2.gz XMKMTJZYBOJUJU-HNNXBMFYSA-N 1 0 315.442 4.002 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000582586483 337110017 /nfs/dbraw/zinc/11/00/17/337110017.db2.gz MMLXNFUINYCBOH-CYBMUJFWSA-N 1 0 306.406 4.246 20 30 DIEDRO Cc1ccccc1OCCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538507639 337134855 /nfs/dbraw/zinc/13/48/55/337134855.db2.gz RZENANSEMPCPGE-OAHLLOKOSA-N 1 0 312.388 4.126 20 30 DIEDRO Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508075 337142244 /nfs/dbraw/zinc/14/22/44/337142244.db2.gz VBCXGJHNDIZATP-GJZGRUSLSA-N 1 0 312.388 4.124 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000174818912 337142417 /nfs/dbraw/zinc/14/24/17/337142417.db2.gz JGVQQPQQSWGGBZ-OAHLLOKOSA-N 1 0 311.429 4.337 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)Cc1cccs1 ZINC000174707599 337143189 /nfs/dbraw/zinc/14/31/89/337143189.db2.gz KXWJYOUPVFMPIR-UHFFFAOYSA-N 1 0 314.454 4.073 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000538508520 337146723 /nfs/dbraw/zinc/14/67/23/337146723.db2.gz QOHXKFNXMZJDKP-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccccc1 ZINC000178760051 337164848 /nfs/dbraw/zinc/16/48/48/337164848.db2.gz ODZLDCSZMHUUPR-LJQANCHMSA-N 1 0 305.425 4.440 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000182182937 337187059 /nfs/dbraw/zinc/18/70/59/337187059.db2.gz KPGWARPQOXZMKP-LSWWBPAMSA-N 1 0 312.457 4.154 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000185802237 337250421 /nfs/dbraw/zinc/25/04/21/337250421.db2.gz WAXULRVSLVJHEH-DXCKQFNASA-N 1 0 320.383 4.337 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000459738790 337277309 /nfs/dbraw/zinc/27/73/09/337277309.db2.gz XYRBMAXGZVEDJH-UHFFFAOYSA-N 1 0 315.642 4.132 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583266763 337296400 /nfs/dbraw/zinc/29/64/00/337296400.db2.gz VWTVGYLJKLGZEC-RDTXWAMCSA-N 1 0 321.380 4.050 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N(C)CC)nc1)c1ccccc1 ZINC000191448643 337297045 /nfs/dbraw/zinc/29/70/45/337297045.db2.gz IKKMWYVUFZDASF-IBGZPJMESA-N 1 0 309.457 4.335 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000583325440 337316310 /nfs/dbraw/zinc/31/63/10/337316310.db2.gz MCAUZSABFBQSKI-KRWDZBQOSA-N 1 0 309.369 4.016 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)Sc1ccccc1 ZINC000583722980 337318235 /nfs/dbraw/zinc/31/82/35/337318235.db2.gz WQSCGTUYMKIUKH-IFXJQAMLSA-N 1 0 308.450 4.316 20 30 DIEDRO N#CCCOCC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000584518080 337354249 /nfs/dbraw/zinc/35/42/49/337354249.db2.gz LOIALKIOWOBBBF-GOSISDBHSA-N 1 0 320.864 4.481 20 30 DIEDRO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCC[C@@H]1C ZINC000120157326 337395500 /nfs/dbraw/zinc/39/55/00/337395500.db2.gz JVBGABZRKMIBJW-WMLDXEAASA-N 1 0 324.428 4.009 20 30 DIEDRO N#CCC[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC000128149420 337424154 /nfs/dbraw/zinc/42/41/54/337424154.db2.gz LLNCUPSSQMFTBO-NYLDSWQDSA-N 1 0 315.420 4.245 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CC[C@H](F)C3)c2)c1 ZINC000564115630 337456440 /nfs/dbraw/zinc/45/64/40/337456440.db2.gz OIFVEEGPAFNSEJ-OALUTQOASA-N 1 0 324.399 4.117 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419346351 337480324 /nfs/dbraw/zinc/48/03/24/337480324.db2.gz VAWFBPMLDFEPJL-AWEZNQCLSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000245833023 337494854 /nfs/dbraw/zinc/49/48/54/337494854.db2.gz CANBHLLSEJAUIS-BEVDRBHNSA-N 1 0 306.409 4.129 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)cc1F ZINC000421375296 337528635 /nfs/dbraw/zinc/52/86/35/337528635.db2.gz COXSTTKSMVCQCX-SFHVURJKSA-N 1 0 316.326 4.143 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000571934554 337582334 /nfs/dbraw/zinc/58/23/34/337582334.db2.gz QNMZWJWYTYYGJT-IFMALSPDSA-N 1 0 318.464 4.370 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2sc(C)nc2C)cc1 ZINC000262529512 337618978 /nfs/dbraw/zinc/61/89/78/337618978.db2.gz MQSYAGYUGGJCGL-LLVKDONJSA-N 1 0 316.474 4.200 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2sc(C)nc2C)cc1 ZINC000262529515 337619028 /nfs/dbraw/zinc/61/90/28/337619028.db2.gz MQSYAGYUGGJCGL-NSHDSACASA-N 1 0 316.474 4.200 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(SC)c(OC)c1)c1ccccc1 ZINC000270256415 337639645 /nfs/dbraw/zinc/63/96/45/337639645.db2.gz VHLPQXPKUIERHW-KRWDZBQOSA-N 1 0 311.450 4.271 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OCCC)cc1O)c1ccccc1 ZINC000270203742 337639722 /nfs/dbraw/zinc/63/97/22/337639722.db2.gz MRQMGGZIKBSTEP-LJQANCHMSA-N 1 0 309.409 4.035 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000271508259 337644917 /nfs/dbraw/zinc/64/49/17/337644917.db2.gz MYKCFFUOVOYCHX-DZKIICNBSA-N 1 0 309.837 4.036 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271805129 337645563 /nfs/dbraw/zinc/64/55/63/337645563.db2.gz PVYDVPOWBXCDAZ-LSDHHAIUSA-N 1 0 324.380 4.019 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccncc1Cl ZINC000421848350 337654688 /nfs/dbraw/zinc/65/46/88/337654688.db2.gz AIAXMKMWDCXGSN-SGTLLEGYSA-N 1 0 311.816 4.335 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000421871321 337657201 /nfs/dbraw/zinc/65/72/01/337657201.db2.gz GBBDGSYZYALRKX-GOSISDBHSA-N 1 0 307.422 4.049 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)c2ccsc2S1 ZINC000421875950 337657923 /nfs/dbraw/zinc/65/79/23/337657923.db2.gz JMQRFSVKRQMZAO-ZANVPECISA-N 1 0 306.481 4.396 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421878115 337658285 /nfs/dbraw/zinc/65/82/85/337658285.db2.gz LQPFWUBNAGAWBP-JTQLQIEISA-N 1 0 305.472 4.359 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000423340640 337712894 /nfs/dbraw/zinc/71/28/94/337712894.db2.gz BZFSSYBNIGXAHQ-BUXKBTBVSA-N 1 0 309.388 4.008 20 30 DIEDRO Cc1cc(N)cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000423475218 337721549 /nfs/dbraw/zinc/72/15/49/337721549.db2.gz ISXYPESPUDYXRL-UHFFFAOYSA-N 1 0 319.452 4.071 20 30 DIEDRO CC(C)CSCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000536839753 337737219 /nfs/dbraw/zinc/73/72/19/337737219.db2.gz OXHWWCXTLMJBDM-UHFFFAOYSA-N 1 0 316.514 4.369 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](CC)c1ccccc1Br ZINC000536851168 337745319 /nfs/dbraw/zinc/74/53/19/337745319.db2.gz LATSADJTRSTYEC-HNNXBMFYSA-N 1 0 312.251 4.083 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000424134016 337752860 /nfs/dbraw/zinc/75/28/60/337752860.db2.gz XUKXINGEJMVZGS-NILFDRSVSA-N 1 0 307.235 4.182 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)s1 ZINC000527909149 337770478 /nfs/dbraw/zinc/77/04/78/337770478.db2.gz JFEQLENPAIZPSL-OAHLLOKOSA-N 1 0 306.793 4.189 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000424176468 337797236 /nfs/dbraw/zinc/79/72/36/337797236.db2.gz RNANVUKJOSFDHV-PMACEKPBSA-N 1 0 323.436 4.043 20 30 DIEDRO C=CCn1cc(C[NH2+][C@@H](c2ccc(C)cc2)C2CCCCC2)nn1 ZINC000424290025 337815793 /nfs/dbraw/zinc/81/57/93/337815793.db2.gz ARLARXBQXXMBBM-HXUWFJFHSA-N 1 0 324.472 4.184 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000424290881 337816177 /nfs/dbraw/zinc/81/61/77/337816177.db2.gz CIGYCPFYFAQFRW-VCBZYWHSSA-N 1 0 311.425 4.090 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000424293783 337816688 /nfs/dbraw/zinc/81/66/88/337816688.db2.gz JHJVNPSGEJJRTK-NZPGVSJUSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000424296720 337817032 /nfs/dbraw/zinc/81/70/32/337817032.db2.gz PHVBRFNUDQVQES-IHPCNDPISA-N 1 0 311.400 4.096 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)c(Cl)c1 ZINC000424298513 337817191 /nfs/dbraw/zinc/81/71/91/337817191.db2.gz DJGGNKOJNPTVSB-JTQLQIEISA-N 1 0 306.818 4.133 20 30 DIEDRO CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OCC ZINC000424316753 337819821 /nfs/dbraw/zinc/81/98/21/337819821.db2.gz BIJTYVNQJIIOAP-UAGQMJEPSA-N 1 0 316.445 4.217 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cnn1-c1cc(C)ccc1C ZINC000424323456 337820605 /nfs/dbraw/zinc/82/06/05/337820605.db2.gz JDKVPVKCMDTOTO-RYQLBKOJSA-N 1 0 322.456 4.140 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000424328400 337821606 /nfs/dbraw/zinc/82/16/06/337821606.db2.gz OBUNEOSMEDEXLR-OZVIIMIRSA-N 1 0 319.246 4.108 20 30 DIEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424426971 337832599 /nfs/dbraw/zinc/83/25/99/337832599.db2.gz NLLWPYHASOKZAA-UHFFFAOYSA-N 1 0 323.440 4.064 20 30 DIEDRO C=CC1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000533287084 337838707 /nfs/dbraw/zinc/83/87/07/337838707.db2.gz IYAVDLFEXULIBL-UHFFFAOYSA-N 1 0 308.425 4.066 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000533362417 337843380 /nfs/dbraw/zinc/84/33/80/337843380.db2.gz XSAWPTCHBBCMBZ-CQSZACIVSA-N 1 0 311.372 4.131 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000119900461 337867535 /nfs/dbraw/zinc/86/75/35/337867535.db2.gz NGWMKHDVHCKVGM-HXUWFJFHSA-N 1 0 324.399 4.337 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(NC(=O)CCC)c1)C1CC1 ZINC000120236264 337872248 /nfs/dbraw/zinc/87/22/48/337872248.db2.gz WZKYKYSFKPZQMU-GOSISDBHSA-N 1 0 300.446 4.260 20 30 DIEDRO COc1ccc(C[C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665711 337884030 /nfs/dbraw/zinc/88/40/30/337884030.db2.gz YMLQWLKJCABYBN-OXJNMPFZSA-N 1 0 308.425 4.261 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000537053649 337884589 /nfs/dbraw/zinc/88/45/89/337884589.db2.gz YKNFEQDBZOFLFK-HUUCEWRRSA-N 1 0 300.446 4.431 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000537089716 337888616 /nfs/dbraw/zinc/88/86/16/337888616.db2.gz TUYSHARJEQEANQ-SFHVURJKSA-N 1 0 312.388 4.061 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000537131900 337894614 /nfs/dbraw/zinc/89/46/14/337894614.db2.gz GZCNTSFUICWBLP-CZUORRHYSA-N 1 0 313.363 4.339 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000092188215 337901396 /nfs/dbraw/zinc/90/13/96/337901396.db2.gz RQVGBYKIBOXBCV-UHFFFAOYSA-N 1 0 303.425 4.032 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000092668438 337907220 /nfs/dbraw/zinc/90/72/20/337907220.db2.gz CYWNHMNTTHZEGB-UHFFFAOYSA-N 1 0 323.371 4.151 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CCc2ccsc2)ccc1OC ZINC000060946867 337923819 /nfs/dbraw/zinc/92/38/19/337923819.db2.gz JILMRRHRYLIWSX-UHFFFAOYSA-N 1 0 317.454 4.044 20 30 DIEDRO C[C@H]([NH2+]CCc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000537294246 337928898 /nfs/dbraw/zinc/92/88/98/337928898.db2.gz AUAHPGMNQGHHBO-ZDUSSCGKSA-N 1 0 318.342 4.470 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000537297048 337929086 /nfs/dbraw/zinc/92/90/86/337929086.db2.gz MSGSONUNXYGEEM-MRXNPFEDSA-N 1 0 308.425 4.239 20 30 DIEDRO CCCOc1cccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000537304211 337929886 /nfs/dbraw/zinc/92/98/86/337929886.db2.gz OEWSDIPAPRFVHJ-MRXNPFEDSA-N 1 0 308.425 4.240 20 30 DIEDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000537304387 337929943 /nfs/dbraw/zinc/92/99/43/337929943.db2.gz QDXIEBIIYDRBGX-JKSUJKDBSA-N 1 0 308.425 4.096 20 30 DIEDRO C[C@@H](CCc1cccc(F)c1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000516099728 338004571 /nfs/dbraw/zinc/00/45/71/338004571.db2.gz VRXVOHUKXGSROO-HNNXBMFYSA-N 1 0 308.400 4.297 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000426149982 338021390 /nfs/dbraw/zinc/02/13/90/338021390.db2.gz CYQBNKOMTPVXFW-UHFFFAOYSA-N 1 0 309.335 4.103 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000426312687 338026287 /nfs/dbraw/zinc/02/62/87/338026287.db2.gz QXEYPOSIXWRWHL-PKOBYXMFSA-N 1 0 323.415 4.017 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)Cc1ccsc1 ZINC000426481599 338033331 /nfs/dbraw/zinc/03/33/31/338033331.db2.gz GZQKKJVUTGJSHI-ZDUSSCGKSA-N 1 0 302.418 4.212 20 30 DIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)ccc1OC ZINC000428457325 338053005 /nfs/dbraw/zinc/05/30/05/338053005.db2.gz WQTGNZLIAAQUKB-IRXDYDNUSA-N 1 0 301.430 4.025 20 30 DIEDRO C=CCOCCC[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429175565 338072558 /nfs/dbraw/zinc/07/25/58/338072558.db2.gz JLOCWTPFWONAMV-MRXNPFEDSA-N 1 0 311.878 4.099 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429252565 338074903 /nfs/dbraw/zinc/07/49/03/338074903.db2.gz HONQAMOKVDWRNM-UHFFFAOYSA-N 1 0 317.355 4.238 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000429428989 338080706 /nfs/dbraw/zinc/08/07/06/338080706.db2.gz VKUUDBUCMPWUDM-UONOGXRCSA-N 1 0 314.816 4.330 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000429628169 338086316 /nfs/dbraw/zinc/08/63/16/338086316.db2.gz RVHYIIOKOWUNFO-BEFAXECRSA-N 1 0 310.828 4.170 20 30 DIEDRO N#CCC1(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000430003605 338093264 /nfs/dbraw/zinc/09/32/64/338093264.db2.gz JAWJLBSPJVJAFM-UHFFFAOYSA-N 1 0 324.399 4.188 20 30 DIEDRO CCC(CC)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)OC ZINC000430131736 338098309 /nfs/dbraw/zinc/09/83/09/338098309.db2.gz MMTSVLWRIBGYTP-UHFFFAOYSA-N 1 0 314.473 4.185 20 30 DIEDRO Cc1c([C@H](C)[NH2+]CC2(CC#N)CC2)cnn1-c1cc(C)ccc1C ZINC000430717544 338112304 /nfs/dbraw/zinc/11/23/04/338112304.db2.gz AMMIGFZMJCLMDN-INIZCTEOSA-N 1 0 322.456 4.142 20 30 DIEDRO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2(CC#N)CC2)cc1 ZINC000430740568 338112960 /nfs/dbraw/zinc/11/29/60/338112960.db2.gz QEKUALRTXUEYSS-RBUKOAKNSA-N 1 0 312.457 4.393 20 30 DIEDRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC1(CC#N)CC1)CCCO2 ZINC000430739399 338112985 /nfs/dbraw/zinc/11/29/85/338112985.db2.gz DCTIRCAAZADMFN-OAHLLOKOSA-N 1 0 304.821 4.146 20 30 DIEDRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1(CC#N)CC1 ZINC000430747397 338113377 /nfs/dbraw/zinc/11/33/77/338113377.db2.gz LNVQPNUJSXLQIC-ZDUSSCGKSA-N 1 0 310.363 4.310 20 30 DIEDRO N#CCC1(C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000430751161 338113709 /nfs/dbraw/zinc/11/37/09/338113709.db2.gz SUOUXQHURNKQMU-HNNXBMFYSA-N 1 0 319.246 4.110 20 30 DIEDRO N#CCSCCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432019882 338143674 /nfs/dbraw/zinc/14/36/74/338143674.db2.gz NJGGHMYMKFANBU-INIZCTEOSA-N 1 0 310.413 4.139 20 30 DIEDRO Cc1cccc2nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)cn21 ZINC000433012848 338176196 /nfs/dbraw/zinc/17/61/96/338176196.db2.gz VDJZEPKTEDWSNK-IBGZPJMESA-N 1 0 318.424 4.168 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000433016083 338176306 /nfs/dbraw/zinc/17/63/06/338176306.db2.gz NJUAOHRYFWDJPS-IBGZPJMESA-N 1 0 323.396 4.162 20 30 DIEDRO C[N@H+](CCS[C@@H](C#N)C1CCCCC1)Cc1ccccc1 ZINC000433018589 338176452 /nfs/dbraw/zinc/17/64/52/338176452.db2.gz FFKCEGVBJPPZAI-SFHVURJKSA-N 1 0 302.487 4.324 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433020631 338176671 /nfs/dbraw/zinc/17/66/71/338176671.db2.gz SWAKMTYPLACLDM-IBGZPJMESA-N 1 0 319.408 4.092 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1c(F)cccc1F)c1ccccc1 ZINC000433021755 338176678 /nfs/dbraw/zinc/17/66/78/338176678.db2.gz HNHBIWDOIPUDGP-SFHVURJKSA-N 1 0 300.352 4.490 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000433024057 338176850 /nfs/dbraw/zinc/17/68/50/338176850.db2.gz BGGQZHPSFZZFRA-LJQANCHMSA-N 1 0 307.372 4.222 20 30 DIEDRO Cc1c(C[NH2+][C@H](CCCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000433025454 338177084 /nfs/dbraw/zinc/17/70/84/338177084.db2.gz KWWWLMHVLCVTGM-GOSISDBHSA-N 1 0 323.396 4.428 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000433026069 338177121 /nfs/dbraw/zinc/17/71/21/338177121.db2.gz OAOQDOBLDTZCEW-HXUWFJFHSA-N 1 0 303.409 4.277 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1 ZINC000433027778 338177149 /nfs/dbraw/zinc/17/71/49/338177149.db2.gz MQHVLVFIBOCQID-SFHVURJKSA-N 1 0 307.372 4.222 20 30 DIEDRO C[N@H+](CCSCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000433028821 338177266 /nfs/dbraw/zinc/17/72/66/338177266.db2.gz DNLYGJMALHGBKQ-UHFFFAOYSA-N 1 0 314.429 4.063 20 30 DIEDRO C[N@H+](CCSCc1cccc(C#N)c1F)Cc1ccccc1 ZINC000433045672 338178198 /nfs/dbraw/zinc/17/81/98/338178198.db2.gz FRQSGDJSDHNRAQ-UHFFFAOYSA-N 1 0 314.429 4.063 20 30 DIEDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000433052430 338178807 /nfs/dbraw/zinc/17/88/07/338178807.db2.gz MGTQRYIIFRIJGD-QFBILLFUSA-N 1 0 322.456 4.084 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccc(F)c(Cl)c1 ZINC000433260958 338188479 /nfs/dbraw/zinc/18/84/79/338188479.db2.gz UERWZHATAMUIIF-UHFFFAOYSA-N 1 0 306.743 4.122 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)ccc1F ZINC000433309039 338191229 /nfs/dbraw/zinc/19/12/29/338191229.db2.gz WKSNCOHOQZSFRV-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1F ZINC000433315924 338191777 /nfs/dbraw/zinc/19/17/77/338191777.db2.gz CSWRKANFLTYHTD-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(F)(c3ccccc3)CC2)ccc1F ZINC000434494115 338218343 /nfs/dbraw/zinc/21/83/43/338218343.db2.gz CIFBZOQTAKPRBW-UHFFFAOYSA-N 1 0 312.363 4.158 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)cc(OC)c1O ZINC000434985314 338228821 /nfs/dbraw/zinc/22/88/21/338228821.db2.gz HXUPNQLPHZMMFU-SFHVURJKSA-N 1 0 309.409 4.076 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]Cc1noc(-c2ccccc2F)n1 ZINC000435030148 338230037 /nfs/dbraw/zinc/23/00/37/338230037.db2.gz ZALMFNMRZAEQDB-ZDUSSCGKSA-N 1 0 303.381 4.100 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]Cc1noc(-c2ccccc2F)n1 ZINC000435030147 338230039 /nfs/dbraw/zinc/23/00/39/338230039.db2.gz ZALMFNMRZAEQDB-CYBMUJFWSA-N 1 0 303.381 4.100 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000435736490 338246974 /nfs/dbraw/zinc/24/69/74/338246974.db2.gz AQWLKCVTAUDICX-QUCCMNQESA-N 1 0 317.473 4.182 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC000435741265 338247311 /nfs/dbraw/zinc/24/73/11/338247311.db2.gz IKKVNQNUTMHSCU-XVAUXJJVSA-N 1 0 305.849 4.314 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(C#N)cc3)cn(C)c2c1 ZINC000435989619 338255136 /nfs/dbraw/zinc/25/51/36/338255136.db2.gz LTVVWLCHUWOMOY-INIZCTEOSA-N 1 0 317.436 4.252 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000436192413 338261357 /nfs/dbraw/zinc/26/13/57/338261357.db2.gz UBFYBQGRFXGVQM-OAHLLOKOSA-N 1 0 323.440 4.427 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000436285705 338266063 /nfs/dbraw/zinc/26/60/63/338266063.db2.gz PMRXKYUIFXPCNI-KKBFJZEXSA-N 1 0 307.865 4.403 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CSc1ccccc1)C(C)C ZINC000436291910 338266634 /nfs/dbraw/zinc/26/66/34/338266634.db2.gz KTSBBXUIURYUHY-UHOSZYNNSA-N 1 0 319.514 4.374 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000436294318 338266803 /nfs/dbraw/zinc/26/68/03/338266803.db2.gz GDLRPTZHCMDNNF-QRQLOZEOSA-N 1 0 315.457 4.088 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000436300807 338267553 /nfs/dbraw/zinc/26/75/53/338267553.db2.gz KVXSLNSMFADYML-AYBZRNKSSA-N 1 0 303.446 4.107 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000436302709 338267623 /nfs/dbraw/zinc/26/76/23/338267623.db2.gz BAUOBJLVZXBHIX-SKDZVZGDSA-N 1 0 321.848 4.125 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000436302321 338267633 /nfs/dbraw/zinc/26/76/33/338267633.db2.gz SWFNCEQRMMDROR-KPFFTGBYSA-N 1 0 317.473 4.353 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000436307438 338268140 /nfs/dbraw/zinc/26/81/40/338268140.db2.gz NOIXKHKWYPVBTI-AQNXPRMDSA-N 1 0 301.474 4.215 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000436311873 338268503 /nfs/dbraw/zinc/26/85/03/338268503.db2.gz YEKYLJFHSRILRX-JLSDUUJJSA-N 1 0 309.400 4.233 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000436318846 338268919 /nfs/dbraw/zinc/26/89/19/338268919.db2.gz ZADOPKCAWLKBQE-OWQGQXMQSA-N 1 0 321.848 4.125 20 30 DIEDRO COc1ccc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cc1 ZINC000437576744 338314071 /nfs/dbraw/zinc/31/40/71/338314071.db2.gz KYKJBZVNFMKBEK-UHFFFAOYSA-N 1 0 323.411 4.065 20 30 DIEDRO CC(C)[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000438330810 338339918 /nfs/dbraw/zinc/33/99/18/338339918.db2.gz WCSLDUYLQISFST-GOSISDBHSA-N 1 0 300.446 4.237 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)C1CC1 ZINC000438988698 338357767 /nfs/dbraw/zinc/35/77/67/338357767.db2.gz XDHSTORTINGURA-HNNXBMFYSA-N 1 0 311.372 4.131 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000438992288 338357869 /nfs/dbraw/zinc/35/78/69/338357869.db2.gz QJQISIWMDHDQBK-WMQCIHAUSA-N 1 0 312.501 4.374 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)C1CC1 ZINC000439081636 338360482 /nfs/dbraw/zinc/36/04/82/338360482.db2.gz XCFQLXCMZVQNKQ-IRXDYDNUSA-N 1 0 304.503 4.219 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)C1CC1 ZINC000439077934 338360491 /nfs/dbraw/zinc/36/04/91/338360491.db2.gz MPQPVOABKPASLX-SFHVURJKSA-N 1 0 313.420 4.154 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)cc1Cl ZINC000439438560 338369361 /nfs/dbraw/zinc/36/93/61/338369361.db2.gz KJWXIYXIGBTGMQ-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO Cc1cnc([C@H](NCc2ccc(C#N)cc2Cl)C2CC2)s1 ZINC000439438100 338369492 /nfs/dbraw/zinc/36/94/92/338369492.db2.gz JEXLFPUKNOVCQZ-OAHLLOKOSA-N 1 0 317.845 4.218 20 30 DIEDRO CN(Cc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1Cl ZINC000439452204 338369906 /nfs/dbraw/zinc/36/99/06/338369906.db2.gz ZWADXIQRSRUKPY-UHFFFAOYSA-N 1 0 306.743 4.122 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000439482395 338371243 /nfs/dbraw/zinc/37/12/43/338371243.db2.gz UTEHFOAZXDIFJD-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000442721301 338429030 /nfs/dbraw/zinc/42/90/30/338429030.db2.gz SWCSPPRVCOKZPS-RXVVDRJESA-N 1 0 320.436 4.185 20 30 DIEDRO C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442722948 338429088 /nfs/dbraw/zinc/42/90/88/338429088.db2.gz WBVVTQGTRMSSBW-HLLBOEOZSA-N 1 0 300.446 4.033 20 30 DIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442763465 338429857 /nfs/dbraw/zinc/42/98/57/338429857.db2.gz GRNXOYGMSODQAO-BQFCYCMXSA-N 1 0 300.446 4.454 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)C1 ZINC000442765934 338429860 /nfs/dbraw/zinc/42/98/60/338429860.db2.gz KEXJRVIBVJOARD-JXFKEZNVSA-N 1 0 318.420 4.070 20 30 DIEDRO COc1ccc(C2(C[NH2+][C@@H]3CC[C@H](C#N)C3)CCCCC2)cc1 ZINC000442765265 338429865 /nfs/dbraw/zinc/42/98/65/338429865.db2.gz IVZQDHFRZIROFX-FUHWJXTLSA-N 1 0 312.457 4.179 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000442785902 338431283 /nfs/dbraw/zinc/43/12/83/338431283.db2.gz WJPQGFXCRLJVTM-MOPGFXCFSA-N 1 0 306.409 4.047 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442790501 338431631 /nfs/dbraw/zinc/43/16/31/338431631.db2.gz HAGKMEPQMMKLEV-IUODEOHRSA-N 1 0 308.347 4.019 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000442859041 338435342 /nfs/dbraw/zinc/43/53/42/338435342.db2.gz PVXJFCUMMJOMKR-UKRRQHHQSA-N 1 0 306.837 4.301 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC2CCC(C#N)CC2)C(C)C)cc1 ZINC000442863644 338435909 /nfs/dbraw/zinc/43/59/09/338435909.db2.gz DFZZYWTYSCYSSV-RJYAGPCLSA-N 1 0 300.446 4.312 20 30 DIEDRO CC[C@H]([NH2+]CCc1cc(C)ccc1OC)c1ccc(C#N)cc1 ZINC000447516584 338553634 /nfs/dbraw/zinc/55/36/34/338553634.db2.gz HDPKKHNUGUOWSK-IBGZPJMESA-N 1 0 308.425 4.159 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000447530761 338554497 /nfs/dbraw/zinc/55/44/97/338554497.db2.gz NNRXFNRDIMXFCL-GUYCJALGSA-N 1 0 308.381 4.089 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)CCc1ccc(O)cc1)c1ccc(C#N)cc1 ZINC000447537246 338555238 /nfs/dbraw/zinc/55/52/38/338555238.db2.gz UGBMQOFFWFBVMP-QRWLVFNGSA-N 1 0 308.425 4.326 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000447543890 338555639 /nfs/dbraw/zinc/55/56/39/338555639.db2.gz TTZKGKNOFVUMFQ-NHCUHLMSSA-N 1 0 321.468 4.210 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000447587395 338559795 /nfs/dbraw/zinc/55/97/95/338559795.db2.gz QXCABTOQKGHFJK-KRWDZBQOSA-N 1 0 316.351 4.401 20 30 DIEDRO CC[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(C#N)cc1 ZINC000447593421 338560571 /nfs/dbraw/zinc/56/05/71/338560571.db2.gz RTKDWWORQRYZQF-INIZCTEOSA-N 1 0 318.342 4.259 20 30 DIEDRO C[C@H](OCCC[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449067274 338590012 /nfs/dbraw/zinc/59/00/12/338590012.db2.gz JZBUVZBXIXSUBN-IVMQYODDSA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+]C3CCC(C)(C#N)CC3)o2)cs1 ZINC000449067116 338590056 /nfs/dbraw/zinc/59/00/56/338590056.db2.gz ILXHNKFPJMTGPX-UHFFFAOYSA-N 1 0 315.442 4.274 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000449084784 338592062 /nfs/dbraw/zinc/59/20/62/338592062.db2.gz YTADVVFNDGNODY-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccccc2)c2cccnc2)CC1 ZINC000449122416 338595227 /nfs/dbraw/zinc/59/52/27/338595227.db2.gz LHFYLYWFKKNLPU-GPJFCIFZSA-N 1 0 305.425 4.233 20 30 DIEDRO C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1cccc(Cl)c1 ZINC000449169680 338598818 /nfs/dbraw/zinc/59/88/18/338598818.db2.gz DNYWZHSLLJAEBJ-BZOOQXSSSA-N 1 0 306.837 4.169 20 30 DIEDRO CC[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1cccc(F)c1 ZINC000449170314 338598949 /nfs/dbraw/zinc/59/89/49/338598949.db2.gz IEILNATXXFFEJL-UPTPFMHGSA-N 1 0 304.409 4.045 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1[N+](=O)[O-] ZINC000449177152 338599519 /nfs/dbraw/zinc/59/95/19/338599519.db2.gz UYFASKQAYDRJDL-BZOOQXSSSA-N 1 0 301.390 4.026 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@H]2SCCc3ccccc32)CC1 ZINC000449178247 338599750 /nfs/dbraw/zinc/59/97/50/338599750.db2.gz XHVUGISBBQOSMN-IIIMJFFVSA-N 1 0 300.471 4.079 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000449209784 338602631 /nfs/dbraw/zinc/60/26/31/338602631.db2.gz QBGPNPHWBAEFKL-QZTJIDSGSA-N 1 0 315.505 4.332 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(c3ccc(F)cc3F)CC2)CC1 ZINC000449217427 338603346 /nfs/dbraw/zinc/60/33/46/338603346.db2.gz ZDFXHCQJWUQLHC-UHFFFAOYSA-N 1 0 304.384 4.058 20 30 DIEDRO Cc1ccccc1[C@@H]([C@H](C)[NH2+]C1CCC(C)(C#N)CC1)N(C)C ZINC000449268201 338608228 /nfs/dbraw/zinc/60/82/28/338608228.db2.gz FCOQNZJULWRIAL-AILXTGBUSA-N 1 0 313.489 4.048 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000449283275 338609256 /nfs/dbraw/zinc/60/92/56/338609256.db2.gz KZMNAXDMMIPWIG-YJBOKZPZSA-N 1 0 313.445 4.386 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cc2cccnc2o1)c1ccccc1 ZINC000449340609 338614838 /nfs/dbraw/zinc/61/48/38/338614838.db2.gz PILODJIHVKYKNX-SFHVURJKSA-N 1 0 305.381 4.353 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000449545966 338636407 /nfs/dbraw/zinc/63/64/07/338636407.db2.gz AOECIRSGCCOVIY-DARDTNQBSA-N 1 0 323.383 4.015 20 30 DIEDRO C=CCC1([NH2+]Cc2cnc([C@H]3CCCO3)s2)CCCCC1 ZINC000449576399 338639400 /nfs/dbraw/zinc/63/94/00/338639400.db2.gz SJUPHRLHMTVZOE-OAHLLOKOSA-N 1 0 306.475 4.363 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453130273 338797672 /nfs/dbraw/zinc/79/76/72/338797672.db2.gz GHWPQWPCMCOHTG-HNNXBMFYSA-N 1 0 314.454 4.444 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(C#N)cc1F ZINC000453222810 338810030 /nfs/dbraw/zinc/81/00/30/338810030.db2.gz RHFHSFHADUVHIE-GXTWGEPZSA-N 1 0 312.413 4.237 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000453333765 338826473 /nfs/dbraw/zinc/82/64/73/338826473.db2.gz DKCIEUSCOZHEGT-YSGRDPCXSA-N 1 0 308.425 4.133 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CCCC1 ZINC000453347268 338828865 /nfs/dbraw/zinc/82/88/65/338828865.db2.gz FJEFAHPXVWJKMC-INIZCTEOSA-N 1 0 314.473 4.176 20 30 DIEDRO C=CCC1(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CCCC1 ZINC000453347270 338828927 /nfs/dbraw/zinc/82/89/27/338828927.db2.gz FJEFAHPXVWJKMC-MRXNPFEDSA-N 1 0 314.473 4.176 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH+]2CCC(Cc3cc(F)ccc3F)CC2)C1 ZINC000453350392 338829536 /nfs/dbraw/zinc/82/95/36/338829536.db2.gz IAHYMWHTGABVKG-CRAIPNDOSA-N 1 0 318.411 4.302 20 30 DIEDRO C=CCC1(C[NH2+][C@H](C)c2sc(CCOC)nc2C)CCCC1 ZINC000453364537 338832198 /nfs/dbraw/zinc/83/21/98/338832198.db2.gz LIKCFULYKBRWFP-CQSZACIVSA-N 1 0 322.518 4.428 20 30 DIEDRO C=CCC1(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CCCC1 ZINC000453371606 338833434 /nfs/dbraw/zinc/83/34/34/338833434.db2.gz NVVMBGQUVNXECF-SJORKVTESA-N 1 0 301.478 4.172 20 30 DIEDRO C=CCC1(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)CCCC1 ZINC000453371605 338833469 /nfs/dbraw/zinc/83/34/69/338833469.db2.gz NVVMBGQUVNXECF-IRXDYDNUSA-N 1 0 301.478 4.172 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000453373989 338833964 /nfs/dbraw/zinc/83/39/64/338833964.db2.gz WKUIZVAHWLXKEZ-MAZHCROVSA-N 1 0 314.454 4.113 20 30 DIEDRO C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455864508 338911680 /nfs/dbraw/zinc/91/16/80/338911680.db2.gz SYHYNMTXDBVTOK-KBXCAEBGSA-N 1 0 315.461 4.102 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000467406078 339012180 /nfs/dbraw/zinc/01/21/80/339012180.db2.gz RXTIAKIAZNFGEW-CJNGLKHVSA-N 1 0 301.409 4.325 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000471594393 339024290 /nfs/dbraw/zinc/02/42/90/339024290.db2.gz CUCFAWLAAPKOCZ-CQSZACIVSA-N 1 0 308.853 4.311 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000459385701 339026238 /nfs/dbraw/zinc/02/62/38/339026238.db2.gz KFVNELNAFDEJOT-INIZCTEOSA-N 1 0 323.362 4.268 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+]CC#Cc1ccccc1Cl ZINC000459645105 339040019 /nfs/dbraw/zinc/04/00/19/339040019.db2.gz YHMSUPLIQGRJND-MRXNPFEDSA-N 1 0 312.844 4.088 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673367 339042252 /nfs/dbraw/zinc/04/22/52/339042252.db2.gz YLFKCPISANKXKG-LSDHHAIUSA-N 1 0 319.411 4.412 20 30 DIEDRO C[C@H](C[NH2+]CC(C)(C)CC#N)c1cccc(Br)c1 ZINC000459725500 339044608 /nfs/dbraw/zinc/04/46/08/339044608.db2.gz CRRSUJBSYHCNCY-GFCCVEGCSA-N 1 0 309.251 4.082 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000459727364 339044742 /nfs/dbraw/zinc/04/47/42/339044742.db2.gz GHMDOOAIXBPBMX-UHFFFAOYSA-N 1 0 315.642 4.132 20 30 DIEDRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000459735533 339045129 /nfs/dbraw/zinc/04/51/29/339045129.db2.gz TWALSBBLYICUDI-OAHLLOKOSA-N 1 0 315.461 4.057 20 30 DIEDRO Cc1c(F)cccc1-c1ccc(C[NH2+]CC(C)(C)CC#N)o1 ZINC000459737778 339045377 /nfs/dbraw/zinc/04/53/77/339045377.db2.gz WPUZCDFRRAPXCX-UHFFFAOYSA-N 1 0 300.377 4.424 20 30 DIEDRO N#CCC[C@H](C#N)CN1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459764865 339047170 /nfs/dbraw/zinc/04/71/70/339047170.db2.gz ZRICIYDXIPDONI-MJGOQNOKSA-N 1 0 307.441 4.437 20 30 DIEDRO N#CCC[C@@H](C#N)CN1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459764856 339047266 /nfs/dbraw/zinc/04/72/66/339047266.db2.gz ZRICIYDXIPDONI-HKUYNNGSSA-N 1 0 307.441 4.437 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000467415719 339050680 /nfs/dbraw/zinc/05/06/80/339050680.db2.gz CFQVXDCOOJJAGR-TZMCWYRMSA-N 1 0 324.852 4.010 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CCC)CCc2ccccc2)CC1 ZINC000462051283 339071444 /nfs/dbraw/zinc/07/14/44/339071444.db2.gz SZKNETPLMIGCMB-FQEVSTJZSA-N 1 0 314.517 4.418 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000462651225 339083293 /nfs/dbraw/zinc/08/32/93/339083293.db2.gz YKJFTCYNZOKBJY-UHFFFAOYSA-N 1 0 303.352 4.479 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000462739143 339085962 /nfs/dbraw/zinc/08/59/62/339085962.db2.gz VOYOYYQPQPIGLZ-UHFFFAOYSA-N 1 0 316.807 4.418 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)Oc2ccccc2C)c1 ZINC000462738125 339086043 /nfs/dbraw/zinc/08/60/43/339086043.db2.gz KZZBXHXUSHUADT-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C[C@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000462750169 339086793 /nfs/dbraw/zinc/08/67/93/339086793.db2.gz XNAZSXHYEUUCKK-BARLLCKDSA-N 1 0 312.457 4.417 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](OCC)C23CCCC3)cc1 ZINC000462756145 339087116 /nfs/dbraw/zinc/08/71/16/339087116.db2.gz MCIBPELLIQENDW-OALUTQOASA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000462824182 339092413 /nfs/dbraw/zinc/09/24/13/339092413.db2.gz CEZLJJVIAFLBIU-UHFFFAOYSA-N 1 0 321.420 4.004 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000463111937 339106145 /nfs/dbraw/zinc/10/61/45/339106145.db2.gz HYRONRNOFZVAPD-INIZCTEOSA-N 1 0 324.472 4.139 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCOc2ccc3ccccc3c2)C1 ZINC000463235284 339110850 /nfs/dbraw/zinc/11/08/50/339110850.db2.gz COEOEBNZSWXYCD-LPHOPBHVSA-N 1 0 308.425 4.281 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000463252627 339112283 /nfs/dbraw/zinc/11/22/83/339112283.db2.gz RAIBMXUPEMQARO-CQSZACIVSA-N 1 0 324.871 4.388 20 30 DIEDRO CC(C)(C)c1ccccc1OCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463284711 339113424 /nfs/dbraw/zinc/11/34/24/339113424.db2.gz QFPCEHKMOOJYHP-CVEARBPZSA-N 1 0 300.446 4.035 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000463288305 339113539 /nfs/dbraw/zinc/11/35/39/339113539.db2.gz BSQVBOCHUKGHDQ-YLJYHZDGSA-N 1 0 320.436 4.438 20 30 DIEDRO CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463295959 339113897 /nfs/dbraw/zinc/11/38/97/339113897.db2.gz QPHUJVNPRFVGFB-SJLPKXTDSA-N 1 0 300.446 4.283 20 30 DIEDRO CC(C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463295961 339113929 /nfs/dbraw/zinc/11/39/29/339113929.db2.gz QPHUJVNPRFVGFB-WMZOPIPTSA-N 1 0 300.446 4.283 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000463299999 339114052 /nfs/dbraw/zinc/11/40/52/339114052.db2.gz KXIDHZGIGZCOCE-NEWSRXKRSA-N 1 0 314.473 4.467 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000463303178 339114243 /nfs/dbraw/zinc/11/42/43/339114243.db2.gz QBILLGUYKIBBMU-WMLDXEAASA-N 1 0 302.849 4.434 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000463402449 339116667 /nfs/dbraw/zinc/11/66/67/339116667.db2.gz GXJCOTKMHCSQFO-BEFAXECRSA-N 1 0 320.436 4.338 20 30 DIEDRO C[N@H+](Cc1ccc(CC#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437816 339117714 /nfs/dbraw/zinc/11/77/14/339117714.db2.gz GDADHZLXVUDOLU-CVEARBPZSA-N 1 0 310.363 4.306 20 30 DIEDRO CC#CCCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000464557771 339145108 /nfs/dbraw/zinc/14/51/08/339145108.db2.gz NZCIWXMLOXHRKS-KRWDZBQOSA-N 1 0 312.457 4.051 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCOc2ccccc2C#N)C1 ZINC000464741292 339150606 /nfs/dbraw/zinc/15/06/06/339150606.db2.gz SUQVFMLHFQKION-DNVCBOLYSA-N 1 0 324.399 4.159 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2c(Cl)cccc2Cl)c1 ZINC000466411744 339203223 /nfs/dbraw/zinc/20/32/23/339203223.db2.gz GCQWAETXXYRFOU-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)c1 ZINC000466474118 339206633 /nfs/dbraw/zinc/20/66/33/339206633.db2.gz NHWHVRZAXLBAIU-UHFFFAOYSA-N 1 0 314.791 4.387 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000466663402 339212317 /nfs/dbraw/zinc/21/23/17/339212317.db2.gz FGGCMDLCWWDERV-GOSISDBHSA-N 1 0 322.537 4.195 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000466708362 339213688 /nfs/dbraw/zinc/21/36/88/339213688.db2.gz YBRFDUWSSMBIGD-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCC[N@H+](CCCSCC#N)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000466709617 339213788 /nfs/dbraw/zinc/21/37/88/339213788.db2.gz FIDUCZUKCBWKJL-SJORKVTESA-N 1 0 324.534 4.083 20 30 DIEDRO CCC[N@H+](CCCSCC#N)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000466709615 339213791 /nfs/dbraw/zinc/21/37/91/339213791.db2.gz FIDUCZUKCBWKJL-IAGOWNOFSA-N 1 0 324.534 4.083 20 30 DIEDRO N#CCSCCC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000466724723 339214322 /nfs/dbraw/zinc/21/43/22/339214322.db2.gz KZUGCLOFDDWHTG-HXUWFJFHSA-N 1 0 322.477 4.281 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000467162613 339227232 /nfs/dbraw/zinc/22/72/32/339227232.db2.gz ZFOLNWDWAYYQRL-GFCCVEGCSA-N 1 0 305.809 4.349 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000467298027 339230372 /nfs/dbraw/zinc/23/03/72/339230372.db2.gz SLHHRODFJVRHOU-UHFFFAOYSA-N 1 0 305.219 4.005 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000467416202 339237347 /nfs/dbraw/zinc/23/73/47/339237347.db2.gz FMSHYZLXGWFYCA-XIRDDKMYSA-N 1 0 302.418 4.250 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000467418578 339237436 /nfs/dbraw/zinc/23/74/36/339237436.db2.gz NMHXYAFXYPSEDR-ZIAGYGMSSA-N 1 0 308.853 4.310 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000467418606 339237567 /nfs/dbraw/zinc/23/75/67/339237567.db2.gz NYFJFRBZYPMHRJ-DOMZBBRYSA-N 1 0 318.852 4.234 20 30 DIEDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467436253 339238471 /nfs/dbraw/zinc/23/84/71/339238471.db2.gz AYJBBELDJCCLLG-ZDUSSCGKSA-N 1 0 314.816 4.114 20 30 DIEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)c1cc(C)ccc1OC ZINC000467447810 339239164 /nfs/dbraw/zinc/23/91/64/339239164.db2.gz JATCDYSHDIRJAT-IBGZPJMESA-N 1 0 308.425 4.159 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCc1cccc(C#N)c1 ZINC000467449618 339239244 /nfs/dbraw/zinc/23/92/44/339239244.db2.gz KKJGRZTWYRAZJR-HXUWFJFHSA-N 1 0 320.436 4.122 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000467455122 339239676 /nfs/dbraw/zinc/23/96/76/339239676.db2.gz RHFSLUKJVYBIRE-ZDUSSCGKSA-N 1 0 318.342 4.470 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CCc2cccc(C#N)c2)C(C)C)cc1 ZINC000467455140 339239704 /nfs/dbraw/zinc/23/97/04/339239704.db2.gz RKMHLMYKOCCQKG-FQEVSTJZSA-N 1 0 308.425 4.096 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468040782 339252260 /nfs/dbraw/zinc/25/22/60/339252260.db2.gz SAUHWWZNPPMXMG-NSHDSACASA-N 1 0 307.235 4.375 20 30 DIEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000468144274 339255334 /nfs/dbraw/zinc/25/53/34/339255334.db2.gz IVTXPJYGZRPPIQ-SFHVURJKSA-N 1 0 319.452 4.140 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000468266518 339258145 /nfs/dbraw/zinc/25/81/45/339258145.db2.gz OWTZZXGKDOHCHQ-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469454549 339290062 /nfs/dbraw/zinc/29/00/62/339290062.db2.gz LKBQTTFOCYOECE-INIZCTEOSA-N 1 0 312.363 4.020 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469458712 339290170 /nfs/dbraw/zinc/29/01/70/339290170.db2.gz JKBIQCMXFPOYMH-BBRMVZONSA-N 1 0 312.363 4.387 20 30 DIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000469777862 339297911 /nfs/dbraw/zinc/29/79/11/339297911.db2.gz YHIQKEQJPRXXCF-HOTGVXAUSA-N 1 0 308.878 4.366 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000469762673 339298137 /nfs/dbraw/zinc/29/81/37/339298137.db2.gz YQUVESOBXCWYGA-IIBYNOLFSA-N 1 0 320.436 4.445 20 30 DIEDRO C=CCOCCC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000470727538 339326263 /nfs/dbraw/zinc/32/62/63/339326263.db2.gz VCPGZAQIBKZHGS-MRXNPFEDSA-N 1 0 324.262 4.179 20 30 DIEDRO C=CCOCCC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000470764364 339327024 /nfs/dbraw/zinc/32/70/24/339327024.db2.gz GRGPXEWEERYDLB-INIZCTEOSA-N 1 0 311.878 4.023 20 30 DIEDRO C=CCOCCC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000470764478 339327124 /nfs/dbraw/zinc/32/71/24/339327124.db2.gz JHDDCMWMVROKTA-UHFFFAOYSA-N 1 0 300.229 4.165 20 30 DIEDRO C=CCOCCC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000470790619 339328261 /nfs/dbraw/zinc/32/82/61/339328261.db2.gz UQKXRWJSFSUICY-HNNXBMFYSA-N 1 0 313.363 4.087 20 30 DIEDRO C=CCOCCC[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000470873355 339329864 /nfs/dbraw/zinc/32/98/64/339329864.db2.gz JKHPFKZZJFGHAN-UHFFFAOYSA-N 1 0 315.379 4.209 20 30 DIEDRO C=C(C)C[N@H+](CCCOCC(F)(F)F)Cc1ccccc1 ZINC000470905306 339330931 /nfs/dbraw/zinc/33/09/31/339330931.db2.gz FJIAQOCRHZVTJQ-UHFFFAOYSA-N 1 0 301.352 4.034 20 30 DIEDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000470955839 339332851 /nfs/dbraw/zinc/33/28/51/339332851.db2.gz OYWAYXJIIXVFRF-OCCSQVGLSA-N 1 0 310.363 4.260 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000471589662 339348328 /nfs/dbraw/zinc/34/83/28/339348328.db2.gz RPZPVMGHAQSRNX-AWEZNQCLSA-N 1 0 301.409 4.327 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccc(F)cc2)cc1 ZINC000471590743 339348411 /nfs/dbraw/zinc/34/84/11/339348411.db2.gz OGACHRFKYOGMAS-LXGCGDOSSA-N 1 0 324.399 4.206 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](OC(C)C)c1ccccc1OC ZINC000471608500 339349376 /nfs/dbraw/zinc/34/93/76/339349376.db2.gz DAZMUPCPFJSMFV-TXPKVOOTSA-N 1 0 305.462 4.352 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000472035648 339359773 /nfs/dbraw/zinc/35/97/73/339359773.db2.gz TWGACTXMWRCRIA-UHFFFAOYSA-N 1 0 316.470 4.476 20 30 DIEDRO C=CCCCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000472046554 339360589 /nfs/dbraw/zinc/36/05/89/339360589.db2.gz ADWNNLZPJCZAIR-UHFFFAOYSA-N 1 0 301.409 4.074 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)CCCC(C)(C)C#N)C12CCCCC2 ZINC000472228104 339366556 /nfs/dbraw/zinc/36/65/56/339366556.db2.gz YNPSWQWXASKPIW-SJORKVTESA-N 1 0 306.494 4.376 20 30 DIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)CCCC(C)(C)C#N ZINC000472439027 339371838 /nfs/dbraw/zinc/37/18/38/339371838.db2.gz SBNCRXDLNVQQMZ-UHFFFAOYSA-N 1 0 308.853 4.371 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCCC1(C)C ZINC000472600405 339374843 /nfs/dbraw/zinc/37/48/43/339374843.db2.gz KVOXSGNSOXVLGT-INIZCTEOSA-N 1 0 318.486 4.072 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(O)cc(F)c1 ZINC000473134235 339381995 /nfs/dbraw/zinc/38/19/95/339381995.db2.gz WONNHFMUEUGNIW-UHFFFAOYSA-N 1 0 312.388 4.061 20 30 DIEDRO COc1c2ccccc2oc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000473794721 339392284 /nfs/dbraw/zinc/39/22/84/339392284.db2.gz MPRJCRAOCRIILE-CYBMUJFWSA-N 1 0 306.365 4.164 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc2cccc(F)c2o1 ZINC000473993158 339396524 /nfs/dbraw/zinc/39/65/24/339396524.db2.gz VEAAGFZJIASLBV-JTQLQIEISA-N 1 0 300.358 4.356 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc(C#N)c1 ZINC000474055074 339399582 /nfs/dbraw/zinc/39/95/82/339399582.db2.gz HTNCPGQHPHVTBT-IBGZPJMESA-N 1 0 306.409 4.079 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000475666180 339458615 /nfs/dbraw/zinc/45/86/15/339458615.db2.gz BOYDXSPMEZKIEN-JCNLHEQBSA-N 1 0 314.791 4.387 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1cc2cccc(F)c2o1 ZINC000475713358 339460204 /nfs/dbraw/zinc/46/02/04/339460204.db2.gz IYXVGPGZCYPRMN-CYBMUJFWSA-N 1 0 311.331 4.413 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000478250924 339511499 /nfs/dbraw/zinc/51/14/99/339511499.db2.gz JAKKPGWYESYBCI-QGZVFWFLSA-N 1 0 312.413 4.485 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000479585999 339542506 /nfs/dbraw/zinc/54/25/06/339542506.db2.gz BHHQMAKPZOAYTJ-ZETCQYMHSA-N 1 0 303.221 4.133 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)C(F)(F)F)cc1Cl ZINC000479596666 339542987 /nfs/dbraw/zinc/54/29/87/339542987.db2.gz ZNFHBJNTHAAANC-JTQLQIEISA-N 1 0 307.743 4.193 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000481657671 339608914 /nfs/dbraw/zinc/60/89/14/339608914.db2.gz NITGPRIQYSDDTL-AZUAARDMSA-N 1 0 324.468 4.407 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000482628834 339637869 /nfs/dbraw/zinc/63/78/69/339637869.db2.gz KZOAKJIHBJHQCT-QGZVFWFLSA-N 1 0 300.490 4.186 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000482627538 339637968 /nfs/dbraw/zinc/63/79/68/339637968.db2.gz HVUGHSJEUBNPFN-NRFANRHFSA-N 1 0 314.517 4.192 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483663316 339671196 /nfs/dbraw/zinc/67/11/96/339671196.db2.gz RHSYXKBKNXICRY-UBHSHLNASA-N 1 0 317.408 4.435 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc(C)c1F ZINC000484082066 339680455 /nfs/dbraw/zinc/68/04/55/339680455.db2.gz PBORAAVYTTWAGL-CYBMUJFWSA-N 1 0 300.352 4.304 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1F ZINC000484095482 339680951 /nfs/dbraw/zinc/68/09/51/339680951.db2.gz NVYJUFXTUJRMIT-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000485715176 339710849 /nfs/dbraw/zinc/71/08/49/339710849.db2.gz HBMHVLVXLASAHZ-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO Cc1ccc([C@H](CNc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000489200929 339803412 /nfs/dbraw/zinc/80/34/12/339803412.db2.gz VAUHRNJYZTXFMS-FQEVSTJZSA-N 1 0 305.425 4.116 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492582440 339904522 /nfs/dbraw/zinc/90/45/22/339904522.db2.gz WELFYWGYKHNOMS-CYBMUJFWSA-N 1 0 315.383 4.284 20 30 DIEDRO CCC(CC)(CNc1ncccc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000495320089 339980805 /nfs/dbraw/zinc/98/08/05/339980805.db2.gz XPAMXTLURZQHMM-INIZCTEOSA-N 1 0 322.456 4.275 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498745758 340022516 /nfs/dbraw/zinc/02/25/16/340022516.db2.gz CRWMWCGPFBCFGP-RDTXWAMCSA-N 1 0 301.430 4.294 20 30 DIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499607903 340040785 /nfs/dbraw/zinc/04/07/85/340040785.db2.gz CNUNUOJPUPKHSE-KZNAEPCWSA-N 1 0 306.494 4.137 20 30 DIEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499697944 340042951 /nfs/dbraw/zinc/04/29/51/340042951.db2.gz WKZZLLUNPHGITF-MSOLQXFVSA-N 1 0 306.494 4.281 20 30 DIEDRO C/C(=C/c1ccccc1)C[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000499733132 340043699 /nfs/dbraw/zinc/04/36/99/340043699.db2.gz NUBFRDWEZZMEDW-SDXDJHTJSA-N 1 0 312.457 4.122 20 30 DIEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CCC)CC2CCCCC2)CC1 ZINC000499829853 340045379 /nfs/dbraw/zinc/04/53/79/340045379.db2.gz CRUHAMZEELZKSM-SFHVURJKSA-N 1 0 320.521 4.140 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)cc(OC)c1O ZINC000500156586 340051529 /nfs/dbraw/zinc/05/15/29/340051529.db2.gz MHVHQOLXNBXHGD-LSDHHAIUSA-N 1 0 303.446 4.045 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000500184744 340052345 /nfs/dbraw/zinc/05/23/45/340052345.db2.gz WMLLYELGHRTASW-FQEVSTJZSA-N 1 0 308.400 4.251 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(C)(COC)CC2)cc1Cl ZINC000500771943 340066921 /nfs/dbraw/zinc/06/69/21/340066921.db2.gz LNEQKYOOXBLPOF-UHFFFAOYSA-N 1 0 323.864 4.153 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000501251409 340077216 /nfs/dbraw/zinc/07/72/16/340077216.db2.gz CIIMXQCQVREOGN-GOSISDBHSA-N 1 0 310.372 4.043 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000501252909 340077259 /nfs/dbraw/zinc/07/72/59/340077259.db2.gz KGGZGEGRAGMPAC-LJQANCHMSA-N 1 0 306.409 4.212 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1CC ZINC000501479937 340081974 /nfs/dbraw/zinc/08/19/74/340081974.db2.gz PBFZGKHKCLIIEO-UHFFFAOYSA-N 1 0 311.425 4.112 20 30 DIEDRO CC[C@H]1C[C@]1([NH2+]Cc1cc(C#N)ccc1OC)c1cccc(C)c1 ZINC000502505510 340106360 /nfs/dbraw/zinc/10/63/60/340106360.db2.gz BZADKPOVZHPRTH-GHTZIAJQSA-N 1 0 320.436 4.290 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000502553697 340107598 /nfs/dbraw/zinc/10/75/98/340107598.db2.gz NBBNLDZBTGZOFI-OAQYLSRUSA-N 1 0 318.395 4.474 20 30 DIEDRO CC[C@H]1C[C@@]1([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(C)c1 ZINC000502560613 340107789 /nfs/dbraw/zinc/10/77/89/340107789.db2.gz RTEGAWNIGVIUKX-RXVVDRJESA-N 1 0 320.436 4.290 20 30 DIEDRO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000502903442 340116156 /nfs/dbraw/zinc/11/61/56/340116156.db2.gz MXALUKNIQNPYSA-HXUWFJFHSA-N 1 0 308.400 4.132 20 30 DIEDRO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000502903441 340116159 /nfs/dbraw/zinc/11/61/59/340116159.db2.gz MXALUKNIQNPYSA-FQEVSTJZSA-N 1 0 308.400 4.132 20 30 DIEDRO C[C@@H]1C[C@@]1([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000503426657 340128015 /nfs/dbraw/zinc/12/80/15/340128015.db2.gz AGABAUNCRGPSDA-XIKOKIGWSA-N 1 0 314.791 4.376 20 30 DIEDRO C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCC(C#N)CC1 ZINC000503914820 340136673 /nfs/dbraw/zinc/13/66/73/340136673.db2.gz ZFILLYZDLYTAGN-RAXLEYEMSA-N 1 0 308.347 4.344 20 30 DIEDRO C=CCCc1ccccc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000504289414 340144466 /nfs/dbraw/zinc/14/44/66/340144466.db2.gz MCKJDUVBCHKUBP-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccccc2)o1)Cc1cccc(C#N)c1 ZINC000506232049 340189333 /nfs/dbraw/zinc/18/93/33/340189333.db2.gz JKCQVOQVMNQILC-UHFFFAOYSA-N 1 0 302.377 4.450 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)s1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506401200 340194191 /nfs/dbraw/zinc/19/41/91/340194191.db2.gz FISKAXIFENHJKT-AWEZNQCLSA-N 1 0 314.454 4.081 20 30 DIEDRO N#Cc1csc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000506598864 340197348 /nfs/dbraw/zinc/19/73/48/340197348.db2.gz DSCPKRPBUVGQRL-UHFFFAOYSA-N 1 0 302.830 4.438 20 30 DIEDRO Cc1ccc([C@H](CNc2ccc(C#N)cc2F)[NH+]2CCCC2)cc1 ZINC000507014334 340205442 /nfs/dbraw/zinc/20/54/42/340205442.db2.gz IBKQYKYDSAEBOG-FQEVSTJZSA-N 1 0 323.415 4.255 20 30 DIEDRO CC[C@@H](C)[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000507144201 340209531 /nfs/dbraw/zinc/20/95/31/340209531.db2.gz PPZYEVQVLDEYHX-MRXNPFEDSA-N 1 0 308.425 4.368 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507157696 340210109 /nfs/dbraw/zinc/21/01/09/340210109.db2.gz BQISEPIHUAQMRI-HXUWFJFHSA-N 1 0 306.409 4.076 20 30 DIEDRO CCCC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000507248668 340215408 /nfs/dbraw/zinc/21/54/08/340215408.db2.gz WYCBQYKZGJIHCG-UHFFFAOYSA-N 1 0 322.456 4.228 20 30 DIEDRO CCN(Cc1c(F)ccc(O)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000507333394 340217506 /nfs/dbraw/zinc/21/75/06/340217506.db2.gz LWZOKVKDHOCHJX-GFCCVEGCSA-N 1 0 316.351 4.125 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC000507677474 340228035 /nfs/dbraw/zinc/22/80/35/340228035.db2.gz LSRFNXVQMALDRI-UHFFFAOYSA-N 1 0 317.436 4.103 20 30 DIEDRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507817593 340232957 /nfs/dbraw/zinc/23/29/57/340232957.db2.gz CEUBYGRHXVHPLF-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000508518080 340245519 /nfs/dbraw/zinc/24/55/19/340245519.db2.gz FCQPLUGUJINVIS-UHFFFAOYSA-N 1 0 300.427 4.224 20 30 DIEDRO CC[N@H+](Cc1ccc(F)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000508606484 340247769 /nfs/dbraw/zinc/24/77/69/340247769.db2.gz WXJXWXQHMDMYMQ-CYBMUJFWSA-N 1 0 300.352 4.420 20 30 DIEDRO CC[N@H+](Cc1cc(F)cc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508622449 340248587 /nfs/dbraw/zinc/24/85/87/340248587.db2.gz XNAQAMHEMWTJNG-ZDUSSCGKSA-N 1 0 300.352 4.420 20 30 DIEDRO CC[N@H+](Cc1c(C)nc2ccccn21)[C@H](C)c1ccc(C#N)cc1 ZINC000508671654 340250295 /nfs/dbraw/zinc/25/02/95/340250295.db2.gz NNUOPETVIMHSQP-MRXNPFEDSA-N 1 0 318.424 4.098 20 30 DIEDRO CC[N@H+](CCOc1cccc(C#N)c1)[C@H](C)c1ccc(F)cc1 ZINC000516616635 340270117 /nfs/dbraw/zinc/27/01/17/340270117.db2.gz XWJJJMUKRSIJCX-OAHLLOKOSA-N 1 0 312.388 4.159 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)c1ccc(F)cc1 ZINC000516616932 340274038 /nfs/dbraw/zinc/27/40/38/340274038.db2.gz HCDSQTJFGJYSBR-CYBMUJFWSA-N 1 0 300.352 4.420 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000509796911 340279351 /nfs/dbraw/zinc/27/93/51/340279351.db2.gz DUFDAORHXBFKEZ-NWNNTGRJSA-N 1 0 320.436 4.459 20 30 DIEDRO CCN(Cc1ccc(-c2ccc(F)cc2C)o1)C[C@@H](C)C#N ZINC000509800638 340279531 /nfs/dbraw/zinc/27/95/31/340279531.db2.gz ZHDLFLVMTBLLFR-ZDUSSCGKSA-N 1 0 300.377 4.376 20 30 DIEDRO C=CC[N@@H+](CCC(=O)c1ccc(OC)cc1)Cc1cccs1 ZINC000509825441 340280549 /nfs/dbraw/zinc/28/05/49/340280549.db2.gz FGSPHZFIRYULAL-UHFFFAOYSA-N 1 0 315.438 4.018 20 30 DIEDRO C=C(C)CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000509932959 340283105 /nfs/dbraw/zinc/28/31/05/340283105.db2.gz YLGKPSFNDIDOQT-UHFFFAOYSA-N 1 0 301.409 4.046 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCCSCC#N)CC1 ZINC000510079528 340287679 /nfs/dbraw/zinc/28/76/79/340287679.db2.gz OEHWHWDJEVUWEI-GOSISDBHSA-N 1 0 302.487 4.077 20 30 DIEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCCSCC#N ZINC000510251549 340294226 /nfs/dbraw/zinc/29/42/26/340294226.db2.gz CYUKKJCLFOYWOG-WBVHZDCISA-N 1 0 318.486 4.115 20 30 DIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(C#N)s1 ZINC000510468334 340300555 /nfs/dbraw/zinc/30/05/55/340300555.db2.gz AGKTYGSHCNJGDK-UHFFFAOYSA-N 1 0 320.845 4.174 20 30 DIEDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000303150331 340306259 /nfs/dbraw/zinc/30/62/59/340306259.db2.gz FFYHZKUWJOEYTJ-OAHLLOKOSA-N 1 0 308.400 4.498 20 30 DIEDRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1(CC#N)CC1 ZINC000510993339 340317379 /nfs/dbraw/zinc/31/73/79/340317379.db2.gz OEVGELPSCLYJJD-CYBMUJFWSA-N 1 0 310.363 4.310 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511071724 340319914 /nfs/dbraw/zinc/31/99/14/340319914.db2.gz BFRZOUPFQPMNIV-QGZVFWFLSA-N 1 0 306.400 4.488 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511071723 340319925 /nfs/dbraw/zinc/31/99/25/340319925.db2.gz BFRZOUPFQPMNIV-KRWDZBQOSA-N 1 0 306.400 4.488 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)o1 ZINC000511103738 340320918 /nfs/dbraw/zinc/32/09/18/340320918.db2.gz DQMRQZCTHPFLIZ-CQSZACIVSA-N 1 0 300.789 4.012 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000511837138 340339595 /nfs/dbraw/zinc/33/95/95/340339595.db2.gz CMXUVWHIYFHCSO-NJDAHSKKSA-N 1 0 302.421 4.326 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCc2ccccc21 ZINC000512192736 340351761 /nfs/dbraw/zinc/35/17/61/340351761.db2.gz BSTFLKGSOYARHT-HXUWFJFHSA-N 1 0 311.425 4.228 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(F)cc1 ZINC000512200488 340352076 /nfs/dbraw/zinc/35/20/76/340352076.db2.gz FUYAVKVPJFKXOP-CQSZACIVSA-N 1 0 303.377 4.050 20 30 DIEDRO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512289517 340355649 /nfs/dbraw/zinc/35/56/49/340355649.db2.gz SRAYMSDIHKTPCW-FNMUINPESA-N 1 0 308.400 4.468 20 30 DIEDRO CCC[N@H+](CCC(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000512449959 340362401 /nfs/dbraw/zinc/36/24/01/340362401.db2.gz MWNLGNJPDSJMKU-UHFFFAOYSA-N 1 0 324.399 4.182 20 30 DIEDRO N#Cc1csc(C[NH2+]CCn2ccc3cc(Cl)ccc32)c1 ZINC000512501670 340364363 /nfs/dbraw/zinc/36/43/63/340364363.db2.gz NPAGALUIQFMYPR-UHFFFAOYSA-N 1 0 315.829 4.018 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1cccc(C#N)c1 ZINC000512507439 340364685 /nfs/dbraw/zinc/36/46/85/340364685.db2.gz ZQWZVAJQPFHOJS-KRWDZBQOSA-N 1 0 322.456 4.475 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1F ZINC000512614588 340369074 /nfs/dbraw/zinc/36/90/74/340369074.db2.gz WNDPHGWOJKCSMZ-CYBMUJFWSA-N 1 0 312.363 4.219 20 30 DIEDRO CCC(CC)[C@@H](CC[NH2+][C@H](C)c1ccc(C#N)cc1F)OC ZINC000512614232 340369096 /nfs/dbraw/zinc/36/90/96/340369096.db2.gz VHEPZDRJJSKOGG-FZKQIMNGSA-N 1 0 306.425 4.189 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(C#N)cc3F)c[nH]c2c1 ZINC000512616541 340369298 /nfs/dbraw/zinc/36/92/98/340369298.db2.gz BJYSSKYNGXIGSA-AWEZNQCLSA-N 1 0 321.399 4.380 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(C#N)cc3F)c[nH]c2c1 ZINC000512616542 340369300 /nfs/dbraw/zinc/36/93/00/340369300.db2.gz BJYSSKYNGXIGSA-CQSZACIVSA-N 1 0 321.399 4.380 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512621213 340369393 /nfs/dbraw/zinc/36/93/93/340369393.db2.gz VKXSWMGJXGSACI-CQSZACIVSA-N 1 0 312.388 4.337 20 30 DIEDRO CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512619873 340369410 /nfs/dbraw/zinc/36/94/10/340369410.db2.gz NOPHSWXIGQRCIV-CQSZACIVSA-N 1 0 312.388 4.085 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccc(C#N)cc1F ZINC000512636918 340370257 /nfs/dbraw/zinc/37/02/57/340370257.db2.gz PUAQAOBZWHCQAS-CQSZACIVSA-N 1 0 319.383 4.139 20 30 DIEDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1ccc(C#N)cc1F ZINC000512636222 340370351 /nfs/dbraw/zinc/37/03/51/340370351.db2.gz KNXUOYPNROJYKN-JLTOFOAXSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)Cc1cccs1 ZINC000512641555 340370553 /nfs/dbraw/zinc/37/05/53/340370553.db2.gz IFODSEYQAWUUQB-CHWSQXEVSA-N 1 0 302.418 4.288 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512649672 340370916 /nfs/dbraw/zinc/37/09/16/340370916.db2.gz TWDRDVVGXMAUTG-KPZWWZAWSA-N 1 0 310.372 4.044 20 30 DIEDRO Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512654794 340371245 /nfs/dbraw/zinc/37/12/45/340371245.db2.gz OVNMWBUWRZIKSD-LSDHHAIUSA-N 1 0 312.388 4.124 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512655779 340371410 /nfs/dbraw/zinc/37/14/10/340371410.db2.gz WLXBGEZSMDNEFF-CSMYWGQOSA-N 1 0 306.450 4.412 20 30 DIEDRO Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512660142 340371550 /nfs/dbraw/zinc/37/15/50/340371550.db2.gz LIBBIIQSOLAIBW-HUUCEWRRSA-N 1 0 312.388 4.124 20 30 DIEDRO CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC(C#N)CC1 ZINC000512689120 340373226 /nfs/dbraw/zinc/37/32/26/340373226.db2.gz FTYHQUQWYBOISS-UHFFFAOYSA-N 1 0 308.425 4.363 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)s1 ZINC000512766091 340376596 /nfs/dbraw/zinc/37/65/96/340376596.db2.gz BVANKVMBWYDRLV-UHFFFAOYSA-N 1 0 314.429 4.214 20 30 DIEDRO CC(C)COc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000173997125 340379752 /nfs/dbraw/zinc/37/97/52/340379752.db2.gz XKFGLHAOKZYCQL-INIZCTEOSA-N 1 0 308.425 4.444 20 30 DIEDRO CCCCOc1ccc(CC[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000512840001 340380249 /nfs/dbraw/zinc/38/02/49/340380249.db2.gz LOIYPEQJCJBJDH-UHFFFAOYSA-N 1 0 308.425 4.069 20 30 DIEDRO CC[C@]1(C[NH2+][C@H](C)c2cccc(C#N)c2)OCCc2ccccc21 ZINC000517442565 340469921 /nfs/dbraw/zinc/46/99/21/340469921.db2.gz UVHGFSXRIHYDHA-IIBYNOLFSA-N 1 0 320.436 4.087 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000183610408 340488535 /nfs/dbraw/zinc/48/85/35/340488535.db2.gz SHJZXJHSDBSVIY-CQSZACIVSA-N 1 0 320.392 4.472 20 30 DIEDRO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(C#N)cc1 ZINC000185030810 340497400 /nfs/dbraw/zinc/49/74/00/340497400.db2.gz FZVSRWNCNKPYAH-AWEZNQCLSA-N 1 0 321.399 4.082 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000185848149 340505910 /nfs/dbraw/zinc/50/59/10/340505910.db2.gz ULEFXMYXZZFQPE-AXFHLTTASA-N 1 0 317.380 4.285 20 30 DIEDRO CCc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000521822001 340534168 /nfs/dbraw/zinc/53/41/68/340534168.db2.gz ONASXALCOPEDAB-UHFFFAOYSA-N 1 0 310.466 4.144 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191279952 340552158 /nfs/dbraw/zinc/55/21/58/340552158.db2.gz JMGNVBYUXBTYDC-HNNXBMFYSA-N 1 0 313.445 4.188 20 30 DIEDRO COc1cc(Cl)c(C[NH2+]CC(C)(C)CCC#N)cc1Cl ZINC000522028482 340563105 /nfs/dbraw/zinc/56/31/05/340563105.db2.gz DXWQJJSOFNJZFI-UHFFFAOYSA-N 1 0 315.244 4.422 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000522627548 340606002 /nfs/dbraw/zinc/60/60/02/340606002.db2.gz MKBXBUCZWDWVAD-APWZRJJASA-N 1 0 308.425 4.229 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000522627660 340606013 /nfs/dbraw/zinc/60/60/13/340606013.db2.gz SQROMTSWZSWBAX-HNNXBMFYSA-N 1 0 311.425 4.425 20 30 DIEDRO C=CC1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000523606791 340629704 /nfs/dbraw/zinc/62/97/04/340629704.db2.gz VSDFKCCLIHSULN-UHFFFAOYSA-N 1 0 302.805 4.393 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000237779210 340673884 /nfs/dbraw/zinc/67/38/84/340673884.db2.gz RTEKRHFPACOKLT-HUUCEWRRSA-N 1 0 313.363 4.462 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000315637575 340676144 /nfs/dbraw/zinc/67/61/44/340676144.db2.gz VRMMLXYLOAFPIL-MRXNPFEDSA-N 1 0 304.315 4.342 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000322717234 340705978 /nfs/dbraw/zinc/70/59/78/340705978.db2.gz ABYIVGJZZPSPAP-CQSZACIVSA-N 1 0 308.400 4.427 20 30 DIEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000529679629 340767708 /nfs/dbraw/zinc/76/77/08/340767708.db2.gz SJFBKNKIJIASFX-PXNSSMCTSA-N 1 0 324.468 4.146 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1csc(Br)c1)C1CC1 ZINC000125291001 340803424 /nfs/dbraw/zinc/80/34/24/340803424.db2.gz MRMBRFBKOCBEFT-LBPRGKRZSA-N 1 0 300.265 4.345 20 30 DIEDRO C=C(CC)C[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000538005111 340806933 /nfs/dbraw/zinc/80/69/33/340806933.db2.gz TYLRLYYISPMCNK-UHFFFAOYSA-N 1 0 320.502 4.031 20 30 DIEDRO C=C(C)C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000538141011 340811226 /nfs/dbraw/zinc/81/12/26/340811226.db2.gz HIEREWHFVIANCH-FQEVSTJZSA-N 1 0 311.425 4.153 20 30 DIEDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000538408102 340821722 /nfs/dbraw/zinc/82/17/22/340821722.db2.gz RPSKTSRTCLGUGS-OAHLLOKOSA-N 1 0 323.396 4.140 20 30 DIEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000538408277 340821723 /nfs/dbraw/zinc/82/17/23/340821723.db2.gz FIUGHOCGMDJGHQ-HOTGVXAUSA-N 1 0 308.425 4.096 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(C#N)c(F)c1 ZINC000538508719 340829660 /nfs/dbraw/zinc/82/96/60/340829660.db2.gz ZYVAGZNIINFGEY-JTQLQIEISA-N 1 0 308.809 4.306 20 30 DIEDRO Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508623 340829687 /nfs/dbraw/zinc/82/96/87/340829687.db2.gz VVUWRUSAYLZHEV-CABCVRRESA-N 1 0 312.388 4.124 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(-c3ccccn3)c2)c(F)c1 ZINC000127752152 340855906 /nfs/dbraw/zinc/85/59/06/340855906.db2.gz GNWFVEPULLIOEM-UHFFFAOYSA-N 1 0 317.367 4.049 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000539081956 340871477 /nfs/dbraw/zinc/87/14/77/340871477.db2.gz BWEQQNDNLNSUGE-QWHCGFSZSA-N 1 0 307.388 4.164 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC000539088315 340872203 /nfs/dbraw/zinc/87/22/03/340872203.db2.gz RMWZBQHPEUODDC-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2(C#N)CC2)cc1 ZINC000539491892 340886761 /nfs/dbraw/zinc/88/67/61/340886761.db2.gz UFVNAFPSJFUYSW-LJQANCHMSA-N 1 0 324.399 4.011 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)c1cccc(C#N)c1 ZINC000539494990 340887210 /nfs/dbraw/zinc/88/72/10/340887210.db2.gz BFDIIJHLUXZGOF-CHWSQXEVSA-N 1 0 300.352 4.291 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000539522583 340889166 /nfs/dbraw/zinc/88/91/66/340889166.db2.gz PSZNPZHNBWYAGA-UHFFFAOYSA-N 1 0 305.805 4.282 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)c1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000539608543 340892307 /nfs/dbraw/zinc/89/23/07/340892307.db2.gz QVHBUMGMQNUFOM-CYBMUJFWSA-N 1 0 314.379 4.465 20 30 DIEDRO Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(C#N)c(F)c3)c21 ZINC000539610507 340892677 /nfs/dbraw/zinc/89/26/77/340892677.db2.gz YWAHBUNUPBJXGA-CQSZACIVSA-N 1 0 321.399 4.380 20 30 DIEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539610870 340892685 /nfs/dbraw/zinc/89/26/85/340892685.db2.gz FZKFPBSPKPEKGW-KBPBESRZSA-N 1 0 312.388 4.075 20 30 DIEDRO C=CCC[NH2+][C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000540361447 340928639 /nfs/dbraw/zinc/92/86/39/340928639.db2.gz YOBXXBAJPQKTCM-GOSISDBHSA-N 1 0 311.425 4.153 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Nc1ccccc1 ZINC000540595330 340937366 /nfs/dbraw/zinc/93/73/66/340937366.db2.gz UHFLAKAFKXAHAP-JXFKEZNVSA-N 1 0 307.441 4.346 20 30 DIEDRO Cc1ccc(OCCCC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000540596549 340937506 /nfs/dbraw/zinc/93/75/06/340937506.db2.gz FNOGZCWYEMJGOG-KRWDZBQOSA-N 1 0 308.425 4.377 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540708440 340942514 /nfs/dbraw/zinc/94/25/14/340942514.db2.gz UURCOQOEQSNEFV-AWEZNQCLSA-N 1 0 310.372 4.113 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000540968635 340953733 /nfs/dbraw/zinc/95/37/33/340953733.db2.gz PVDQYPIYQBKQQC-GFCCVEGCSA-N 1 0 319.392 4.198 20 30 DIEDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542106875 340995480 /nfs/dbraw/zinc/99/54/80/340995480.db2.gz YDRFAIOXDIXRBL-BZUAXINKSA-N 1 0 308.425 4.299 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(CC#N)cc1)[C@H]2C ZINC000542256929 341002244 /nfs/dbraw/zinc/00/22/44/341002244.db2.gz CIVFASBJLUPBMR-HOTGVXAUSA-N 1 0 320.436 4.269 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000542667736 341016514 /nfs/dbraw/zinc/01/65/14/341016514.db2.gz XDBVZJYIRAGEFA-AWEZNQCLSA-N 1 0 315.486 4.209 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cccc(-n2cccn2)c1)c1ccccc1 ZINC000130491651 341023043 /nfs/dbraw/zinc/02/30/43/341023043.db2.gz GHMGPBGRSHXNBS-FQEVSTJZSA-N 1 0 316.408 4.007 20 30 DIEDRO C[C@H](C[NH+]1CCC(CC#N)CC1)c1cccc(Br)c1 ZINC000542852721 341023530 /nfs/dbraw/zinc/02/35/30/341023530.db2.gz AQDOVBSHVQQXNT-CYBMUJFWSA-N 1 0 321.262 4.178 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000543139565 341033820 /nfs/dbraw/zinc/03/38/20/341033820.db2.gz PSCCAPXNQDFXJR-UHFFFAOYSA-N 1 0 323.396 4.071 20 30 DIEDRO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000130623614 341034015 /nfs/dbraw/zinc/03/40/15/341034015.db2.gz WYYZBUAFZPVASU-ZDUSSCGKSA-N 1 0 313.470 4.206 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000543182024 341035740 /nfs/dbraw/zinc/03/57/40/341035740.db2.gz MKJWYEPLRNUWKU-LIRRHRJNSA-N 1 0 324.399 4.289 20 30 DIEDRO N#CCC1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000543185226 341035787 /nfs/dbraw/zinc/03/57/87/341035787.db2.gz VVXLIHPJRUTYGV-UHFFFAOYSA-N 1 0 321.262 4.007 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543415025 341043218 /nfs/dbraw/zinc/04/32/18/341043218.db2.gz FIVMWFIZBRAJAY-AUUYWEPGSA-N 1 0 308.450 4.381 20 30 DIEDRO COc1ccccc1C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)C ZINC000543492932 341047384 /nfs/dbraw/zinc/04/73/84/341047384.db2.gz MSOCKQJDQUNAPK-HXUWFJFHSA-N 1 0 322.452 4.118 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccs1 ZINC000543506471 341047971 /nfs/dbraw/zinc/04/79/71/341047971.db2.gz UPGTZMDNDXLCAJ-UHFFFAOYSA-N 1 0 322.380 4.246 20 30 DIEDRO C[C@H](c1ccccc1Br)N(C)Cc1ccc(C#N)o1 ZINC000131014814 341056245 /nfs/dbraw/zinc/05/62/45/341056245.db2.gz PECJXKJVIAUCRW-LLVKDONJSA-N 1 0 319.202 4.107 20 30 DIEDRO C[C@H](c1ccccc1Br)[NH+]1CCC(CC#N)CC1 ZINC000543810278 341060033 /nfs/dbraw/zinc/06/00/33/341060033.db2.gz GVRCUFSLXFBBGQ-GFCCVEGCSA-N 1 0 307.235 4.136 20 30 DIEDRO C[C@@H](c1ccccc1Br)[NH+]1CCC(CC#N)CC1 ZINC000543810280 341060093 /nfs/dbraw/zinc/06/00/93/341060093.db2.gz GVRCUFSLXFBBGQ-LBPRGKRZSA-N 1 0 307.235 4.136 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960933 341064420 /nfs/dbraw/zinc/06/44/20/341064420.db2.gz GAFPZRGGVPRSNQ-KKSFZXQISA-N 1 0 320.436 4.445 20 30 DIEDRO CC(C)Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000543973909 341064842 /nfs/dbraw/zinc/06/48/42/341064842.db2.gz PTJDUBSZERQQAQ-UHFFFAOYSA-N 1 0 324.472 4.069 20 30 DIEDRO C[C@H](CCc1cccc(F)c1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000543982879 341064937 /nfs/dbraw/zinc/06/49/37/341064937.db2.gz QCMIEIKEYSEKDV-CQSZACIVSA-N 1 0 314.379 4.290 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(CC#N)cc1 ZINC000544069442 341069135 /nfs/dbraw/zinc/06/91/35/341069135.db2.gz UDMCMOWLPSKDJD-UHFFFAOYSA-N 1 0 304.846 4.490 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000544117841 341070780 /nfs/dbraw/zinc/07/07/80/341070780.db2.gz PTAVNGUCFBTVIZ-VBKZILBWSA-N 1 0 324.399 4.289 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000544141554 341071970 /nfs/dbraw/zinc/07/19/70/341071970.db2.gz BUYCGBUSKGTESS-LJQANCHMSA-N 1 0 308.450 4.043 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@@H]1CCCO1 ZINC000544384106 341079587 /nfs/dbraw/zinc/07/95/87/341079587.db2.gz BGBGIQKYFKQVEY-MRUHUIDDSA-N 1 0 320.436 4.443 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000544575909 341086659 /nfs/dbraw/zinc/08/66/59/341086659.db2.gz IKNMDHBTZTUJJC-LPHOPBHVSA-N 1 0 308.425 4.311 20 30 DIEDRO C=CC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000544599256 341087977 /nfs/dbraw/zinc/08/79/77/341087977.db2.gz YGKIOPJBRYHFND-UHFFFAOYSA-N 1 0 318.420 4.288 20 30 DIEDRO C=CCC(CC=C)c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000545023480 341104741 /nfs/dbraw/zinc/10/47/41/341104741.db2.gz OZAUQVOPDDUTSH-UHFFFAOYSA-N 1 0 315.392 4.173 20 30 DIEDRO C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000545206792 341113971 /nfs/dbraw/zinc/11/39/71/341113971.db2.gz UCQTWEAFHDPAFO-RWBZWWBESA-N 1 0 324.399 4.096 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000545272226 341118393 /nfs/dbraw/zinc/11/83/93/341118393.db2.gz CCXOWFUOQJRGCL-DOMZBBRYSA-N 1 0 305.418 4.142 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000545272227 341118479 /nfs/dbraw/zinc/11/84/79/341118479.db2.gz CCXOWFUOQJRGCL-IUODEOHRSA-N 1 0 305.418 4.142 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000545315561 341120943 /nfs/dbraw/zinc/12/09/43/341120943.db2.gz TVZAFTPSGRLOSQ-MSOLQXFVSA-N 1 0 314.473 4.290 20 30 DIEDRO C=CC[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000132437806 341123191 /nfs/dbraw/zinc/12/31/91/341123191.db2.gz WZEWEGJWMVJRGT-UHFFFAOYSA-N 1 0 323.436 4.047 20 30 DIEDRO C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000545914659 341145864 /nfs/dbraw/zinc/14/58/64/341145864.db2.gz LLKSNQLMEHLDBF-YCMKEVRSSA-N 1 0 324.399 4.096 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCC1 ZINC000546227323 341157974 /nfs/dbraw/zinc/15/79/74/341157974.db2.gz UEXXTUPDUSQHLE-MRXNPFEDSA-N 1 0 320.436 4.339 20 30 DIEDRO CC[N@H+](CCCSCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000074982179 341158619 /nfs/dbraw/zinc/15/86/19/341158619.db2.gz XVOFOSGQRUTDSR-AWEZNQCLSA-N 1 0 302.443 4.463 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC(C)(C)O)c1ccc(C(F)(F)F)cc1 ZINC000546611799 341174722 /nfs/dbraw/zinc/17/47/22/341174722.db2.gz CQHSJPFAIOTNBA-HNNXBMFYSA-N 1 0 315.379 4.463 20 30 DIEDRO CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237059587 341206606 /nfs/dbraw/zinc/20/66/06/341206606.db2.gz CBQVAUVWBAHMQO-WMZOPIPTSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000547375313 341209771 /nfs/dbraw/zinc/20/97/71/341209771.db2.gz QTEFAOZCQYHHMH-CQSZACIVSA-N 1 0 307.846 4.095 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(F)c(F)c1 ZINC000547496917 341217850 /nfs/dbraw/zinc/21/78/50/341217850.db2.gz QJQDJTSHBALTFH-SFHVURJKSA-N 1 0 313.351 4.248 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000134750022 341223226 /nfs/dbraw/zinc/22/32/26/341223226.db2.gz MDMDPEFBBXAZHC-SECBINFHSA-N 1 0 320.177 4.105 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1C#N ZINC000134958431 341227213 /nfs/dbraw/zinc/22/72/13/341227213.db2.gz RTJUKXJSENNZPX-LBPRGKRZSA-N 1 0 316.351 4.038 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000135097374 341230844 /nfs/dbraw/zinc/23/08/44/341230844.db2.gz FNYVKUJUPBBUJA-UHFFFAOYSA-N 1 0 308.425 4.128 20 30 DIEDRO C=CCOCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000547767672 341231293 /nfs/dbraw/zinc/23/12/93/341231293.db2.gz SWWXUUMCRGIJLX-OAHLLOKOSA-N 1 0 316.470 4.068 20 30 DIEDRO C[C@@H]1C[C@@H](C)[NH+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000547770083 341231626 /nfs/dbraw/zinc/23/16/26/341231626.db2.gz FKWCNPWONUBVGO-QZTJIDSGSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@H]1C[C@H](C)[NH+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000547770084 341231659 /nfs/dbraw/zinc/23/16/59/341231659.db2.gz FKWCNPWONUBVGO-ROUUACIJSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135285590 341235434 /nfs/dbraw/zinc/23/54/34/341235434.db2.gz OLTUSOFAKMNBHP-MRXNPFEDSA-N 1 0 322.452 4.256 20 30 DIEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135285571 341235460 /nfs/dbraw/zinc/23/54/60/341235460.db2.gz OLTUSOFAKMNBHP-INIZCTEOSA-N 1 0 322.452 4.256 20 30 DIEDRO C=CCOCCC[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000548094475 341246659 /nfs/dbraw/zinc/24/66/59/341246659.db2.gz QQOHTEBAMHMPEV-UHFFFAOYSA-N 1 0 317.473 4.246 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000079076799 341253094 /nfs/dbraw/zinc/25/30/94/341253094.db2.gz ZYOYKOSCHNHGDJ-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000136732543 341266198 /nfs/dbraw/zinc/26/61/98/341266198.db2.gz AVPHGYNQAIUGGE-GOSISDBHSA-N 1 0 315.457 4.223 20 30 DIEDRO C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1)OCc1ccccc1 ZINC000548933424 341281450 /nfs/dbraw/zinc/28/14/50/341281450.db2.gz ULAXLOJFMAAJLG-SJORKVTESA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)c1ccc(C#N)cc1 ZINC000548935897 341281651 /nfs/dbraw/zinc/28/16/51/341281651.db2.gz AZCPJEJHNJAKIR-ZDUSSCGKSA-N 1 0 321.355 4.203 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)c1ccc(C#N)cc1 ZINC000548935896 341281671 /nfs/dbraw/zinc/28/16/71/341281671.db2.gz AZCPJEJHNJAKIR-CYBMUJFWSA-N 1 0 321.355 4.203 20 30 DIEDRO COc1ccc(Cl)c(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000548936524 341281684 /nfs/dbraw/zinc/28/16/84/341281684.db2.gz GUVHWKVPJIWZKR-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO COc1ccc(Cl)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000548936525 341281735 /nfs/dbraw/zinc/28/17/35/341281735.db2.gz GUVHWKVPJIWZKR-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000548936551 341281741 /nfs/dbraw/zinc/28/17/41/341281741.db2.gz HPLXENAVWBXCBO-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000549377665 341292808 /nfs/dbraw/zinc/29/28/08/341292808.db2.gz MYVWMQJAXQQJGQ-GOSISDBHSA-N 1 0 314.379 4.379 20 30 DIEDRO CCOC[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000081522003 341294857 /nfs/dbraw/zinc/29/48/57/341294857.db2.gz KGGBYBOBLRPIHW-SFHVURJKSA-N 1 0 320.436 4.084 20 30 DIEDRO C=CCOCC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000549535966 341296813 /nfs/dbraw/zinc/29/68/13/341296813.db2.gz NGVOELPPVXKNRE-UHFFFAOYSA-N 1 0 313.363 4.087 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000549609810 341298804 /nfs/dbraw/zinc/29/88/04/341298804.db2.gz BDMVNYRVYJVEJU-GOEBONIOSA-N 1 0 313.363 4.134 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000549609812 341298905 /nfs/dbraw/zinc/29/89/05/341298905.db2.gz BDMVNYRVYJVEJU-ZBFHGGJFSA-N 1 0 313.363 4.134 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000549709693 341301003 /nfs/dbraw/zinc/30/10/03/341301003.db2.gz NGPNRAVQYFITDE-DJSGYFEHSA-N 1 0 324.346 4.318 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000245964423 341320071 /nfs/dbraw/zinc/32/00/71/341320071.db2.gz YVASYERKRQNLEU-DQLDELGASA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000245964428 341320126 /nfs/dbraw/zinc/32/01/26/341320126.db2.gz YVASYERKRQNLEU-NDXORKPFSA-N 1 0 320.436 4.377 20 30 DIEDRO CC(F)(F)c1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000550857837 341324757 /nfs/dbraw/zinc/32/47/57/341324757.db2.gz ZUJYWPVBSWUZRH-GOSISDBHSA-N 1 0 312.363 4.447 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)c2ccccc21 ZINC000551176240 341333042 /nfs/dbraw/zinc/33/30/42/341333042.db2.gz VJXJOHQXQZQRPK-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO N#Cc1csc(C[NH2+]CCCCc2ccc(Cl)s2)c1 ZINC000551237594 341334783 /nfs/dbraw/zinc/33/47/83/341334783.db2.gz GRDKMVROMDQKBI-UHFFFAOYSA-N 1 0 310.875 4.447 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000551241841 341335187 /nfs/dbraw/zinc/33/51/87/341335187.db2.gz WLCWUTMJPIOGCX-QAPCUYQASA-N 1 0 305.437 4.485 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000551241206 341335249 /nfs/dbraw/zinc/33/52/49/341335249.db2.gz SBVTZDLZEFTCBH-MRXNPFEDSA-N 1 0 302.462 4.212 20 30 DIEDRO N#CCC[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000551683520 341348775 /nfs/dbraw/zinc/34/87/75/341348775.db2.gz MYHXKUKISSJCFN-INIZCTEOSA-N 1 0 323.827 4.456 20 30 DIEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000552076300 341367836 /nfs/dbraw/zinc/36/78/36/341367836.db2.gz FWSYAORETROMKX-QFBILLFUSA-N 1 0 322.456 4.084 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000552090102 341368970 /nfs/dbraw/zinc/36/89/70/341368970.db2.gz AGAYGFNRZBUEOW-IBGZPJMESA-N 1 0 314.404 4.272 20 30 DIEDRO C=C(C)C[N@H+](CC)CCCC(=O)c1ccc(Br)cc1 ZINC000552227911 341379681 /nfs/dbraw/zinc/37/96/81/341379681.db2.gz YVAGQSNPHPHMNU-UHFFFAOYSA-N 1 0 324.262 4.310 20 30 DIEDRO C=CCC[C@@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000552276450 341383378 /nfs/dbraw/zinc/38/33/78/341383378.db2.gz YIRPHFFFSBQMDQ-QZTJIDSGSA-N 1 0 304.478 4.245 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000552283111 341383971 /nfs/dbraw/zinc/38/39/71/341383971.db2.gz YVIXFOSECXVTCO-FUHWJXTLSA-N 1 0 311.473 4.085 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000552286127 341384268 /nfs/dbraw/zinc/38/42/68/341384268.db2.gz KGPNGOJBUQTPIN-SJCJKPOMSA-N 1 0 300.402 4.342 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000552286092 341384293 /nfs/dbraw/zinc/38/42/93/341384293.db2.gz KGPNGOJBUQTPIN-PXAZEXFGSA-N 1 0 300.402 4.342 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248711778 341384954 /nfs/dbraw/zinc/38/49/54/341384954.db2.gz BKHXKBZRMOILOE-XPKDYRNWSA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248711775 341384973 /nfs/dbraw/zinc/38/49/73/341384973.db2.gz BKHXKBZRMOILOE-XNRPHZJLSA-N 1 0 321.262 4.052 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCO[C@H]2CCCc3ccccc32)C1 ZINC000248724345 341385240 /nfs/dbraw/zinc/38/52/40/341385240.db2.gz CQCDATVMXDNPSC-KPFFTGBYSA-N 1 0 312.457 4.143 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000248740477 341385573 /nfs/dbraw/zinc/38/55/73/341385573.db2.gz FAHVPMNUMSMDHH-POAQFYNOSA-N 1 0 311.473 4.413 20 30 DIEDRO N#Cc1ccc(CN2CC3(CCC3)[C@@H]2c2ccccc2)c(F)c1 ZINC000552315087 341385792 /nfs/dbraw/zinc/38/57/92/341385792.db2.gz CSLOGWPTHVWNMR-IBGZPJMESA-N 1 0 306.384 4.425 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248817899 341387547 /nfs/dbraw/zinc/38/75/47/341387547.db2.gz LCLLTAJPDQUCDQ-XNRPHZJLSA-N 1 0 310.363 4.308 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1Cl)c1ccc2n[nH]cc2c1 ZINC000552339613 341387848 /nfs/dbraw/zinc/38/78/48/341387848.db2.gz AHUKQAZRCJIZLR-RYUDHWBXSA-N 1 0 324.815 4.500 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000248860663 341388691 /nfs/dbraw/zinc/38/86/91/341388691.db2.gz PQXWGQJSJVDDTE-LXZKKBNFSA-N 1 0 316.420 4.347 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000248880190 341389261 /nfs/dbraw/zinc/38/92/61/341389261.db2.gz KLOQMHNBMGXELS-DFBGVHRSSA-N 1 0 314.326 4.491 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248994713 341391455 /nfs/dbraw/zinc/39/14/55/341391455.db2.gz ONUBLTSBJQUGHP-WWGRRREGSA-N 1 0 304.821 4.226 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000553304950 341424405 /nfs/dbraw/zinc/42/44/05/341424405.db2.gz ATSVUNFQAQXGHR-JLTOFOAXSA-N 1 0 308.400 4.296 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000553314899 341425225 /nfs/dbraw/zinc/42/52/25/341425225.db2.gz DXKYBFROWLARIU-UHFFFAOYSA-N 1 0 304.846 4.341 20 30 DIEDRO Cc1ccccc1C1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000554988343 341471877 /nfs/dbraw/zinc/47/18/77/341471877.db2.gz RBEVKRRFGOBGBK-FQEVSTJZSA-N 1 0 302.421 4.175 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)ccc1C#N ZINC000554999847 341472319 /nfs/dbraw/zinc/47/23/19/341472319.db2.gz HZKRKMJHZGTHAH-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO C=CCOCC[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000555422851 341482667 /nfs/dbraw/zinc/48/26/67/341482667.db2.gz KAWLJKBUMUDDJR-QGZVFWFLSA-N 1 0 301.455 4.133 20 30 DIEDRO Cc1nocc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000555577212 341485616 /nfs/dbraw/zinc/48/56/16/341485616.db2.gz DWKXBXYBAKYMHM-CQSZACIVSA-N 1 0 317.392 4.373 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000555590757 341486166 /nfs/dbraw/zinc/48/61/66/341486166.db2.gz LFVZIBIJOBOCMD-QGZVFWFLSA-N 1 0 318.342 4.384 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000153012541 341518528 /nfs/dbraw/zinc/51/85/28/341518528.db2.gz XDUAIVJYRDFJSA-PMACEKPBSA-N 1 0 316.464 4.092 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(Br)cc1F ZINC000565330649 341523823 /nfs/dbraw/zinc/52/38/23/341523823.db2.gz AHVOXFMJXOYUDO-JTQLQIEISA-N 1 0 313.214 4.179 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[C@H](c3ccccc3)O1)CC2 ZINC000566708302 341565897 /nfs/dbraw/zinc/56/58/97/341565897.db2.gz OAZOLVBWZZCPLL-HLAWJBBLSA-N 1 0 318.420 4.055 20 30 DIEDRO CC(C)c1ccc(C[NH+]2CCC(CCC#N)CC2)cc1[N+](=O)[O-] ZINC000566796744 341568321 /nfs/dbraw/zinc/56/83/21/341568321.db2.gz GWYJFWOTQQOAJV-UHFFFAOYSA-N 1 0 315.417 4.234 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)c(OC(C)C)c1 ZINC000153663415 341576566 /nfs/dbraw/zinc/57/65/66/341576566.db2.gz FCHCCYAOUNYYLA-UHFFFAOYSA-N 1 0 300.427 4.005 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1Cl ZINC000567195965 341585702 /nfs/dbraw/zinc/58/57/02/341585702.db2.gz YVIKZCRTEOEULK-AWEZNQCLSA-N 1 0 311.878 4.138 20 30 DIEDRO CCC[NH+](CCC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000158045843 341650399 /nfs/dbraw/zinc/65/03/99/341650399.db2.gz LQAVGJJSYAGIQY-UHFFFAOYSA-N 1 0 310.445 4.086 20 30 DIEDRO CC[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000568498471 341673007 /nfs/dbraw/zinc/67/30/07/341673007.db2.gz VCFIDZIZCXSWHH-GOSISDBHSA-N 1 0 300.352 4.120 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c(C)c1 ZINC000573657066 341735068 /nfs/dbraw/zinc/73/50/68/341735068.db2.gz WOVUTFABPQICMZ-NRFANRHFSA-N 1 0 320.436 4.433 20 30 DIEDRO CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1Cl ZINC000574828161 341770095 /nfs/dbraw/zinc/77/00/95/341770095.db2.gz LCTNKYLLSPMFQQ-UHFFFAOYSA-N 1 0 318.779 4.039 20 30 DIEDRO CC(C)CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000575204197 341785627 /nfs/dbraw/zinc/78/56/27/341785627.db2.gz LNNIJMINMFEBTG-KRWDZBQOSA-N 1 0 312.461 4.146 20 30 DIEDRO CC(C)COc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000173985576 341822502 /nfs/dbraw/zinc/82/25/02/341822502.db2.gz QDBWBSUSOVKCIN-MRXNPFEDSA-N 1 0 308.425 4.444 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Oc2cccc(F)c2)C1 ZINC000576693888 341858759 /nfs/dbraw/zinc/85/87/59/341858759.db2.gz LSIPAKIZTCCJRX-YOEHRIQHSA-N 1 0 310.372 4.400 20 30 DIEDRO N#CCCC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000576704873 341859484 /nfs/dbraw/zinc/85/94/84/341859484.db2.gz NBYGARYKIXHQCN-UHFFFAOYSA-N 1 0 321.346 4.093 20 30 DIEDRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCC(C#N)CC1 ZINC000576864188 341866887 /nfs/dbraw/zinc/86/68/87/341866887.db2.gz QACYKSXRJSGSHT-LCYFTJDESA-N 1 0 308.347 4.344 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000177176274 341917178 /nfs/dbraw/zinc/91/71/78/341917178.db2.gz PKXGYDTWXLMYLH-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccco1 ZINC000577564705 341918161 /nfs/dbraw/zinc/91/81/61/341918161.db2.gz SJTHCBDRIRRPCY-MAUKXSAKSA-N 1 0 317.454 4.426 20 30 DIEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCC#N)CC1 ZINC000577731659 341932652 /nfs/dbraw/zinc/93/26/52/341932652.db2.gz MUUCXHRSPOZALT-QINSGFPZSA-N 1 0 313.401 4.014 20 30 DIEDRO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000265566134 519866248 /nfs/dbraw/zinc/86/62/48/519866248.db2.gz WFCZVWQMZIENJA-RHSMWYFYSA-N 1 0 324.428 4.005 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000181270796 521611127 /nfs/dbraw/zinc/61/11/27/521611127.db2.gz KJQCUBMAEIBMGP-JVPBZIDWSA-N 1 0 300.446 4.193 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(N2CCCC2)c1 ZINC000181853433 525429950 /nfs/dbraw/zinc/42/99/50/525429950.db2.gz IDGUPOJLVKNKGI-HNNXBMFYSA-N 1 0 323.415 4.148 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1cccc(C#N)c1 ZINC000365044699 525516623 /nfs/dbraw/zinc/51/66/23/525516623.db2.gz RRFPEUMXXHGOIC-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000181861787 525523124 /nfs/dbraw/zinc/52/31/24/525523124.db2.gz IUDSTLUWSWEMBQ-OAHLLOKOSA-N 1 0 323.415 4.148 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1cccc(C#N)c1 ZINC000181320355 525556891 /nfs/dbraw/zinc/55/68/91/525556891.db2.gz YOHSFQIZZXKUAI-SCLBCKFNSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(C#N)c(F)c1 ZINC000134965889 525613749 /nfs/dbraw/zinc/61/37/49/525613749.db2.gz QCQSUUWZVWJGEV-ZBEGNZNMSA-N 1 0 300.402 4.487 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000158203447 525623804 /nfs/dbraw/zinc/62/38/04/525623804.db2.gz IGZZOEDUPYHJLD-YSSFQJQWSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000182072134 525626912 /nfs/dbraw/zinc/62/69/12/525626912.db2.gz OUOUPSYHTCCGDA-MMOPVJDHSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000181622854 525628941 /nfs/dbraw/zinc/62/89/41/525628941.db2.gz WDAZUMWUAROFIM-XPGWFJOJSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc(C#N)cc1 ZINC000179959894 525635095 /nfs/dbraw/zinc/63/50/95/525635095.db2.gz BOOSTDGETYGJJJ-FZKQIMNGSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000182072172 525669448 /nfs/dbraw/zinc/66/94/48/525669448.db2.gz OUOUPSYHTCCGDA-PLMTUMEDSA-N 1 0 320.436 4.377 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c1 ZINC000264367516 526708830 /nfs/dbraw/zinc/70/88/30/526708830.db2.gz KTETYAPLOVSBLQ-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000182353444 526709295 /nfs/dbraw/zinc/70/92/95/526709295.db2.gz QLIYPFGICNMJEY-QGZVFWFLSA-N 1 0 312.800 4.215 20 30 DIEDRO Cn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)cc1C#N ZINC000190967507 527219344 /nfs/dbraw/zinc/21/93/44/527219344.db2.gz UDXAWIIJCMHNNL-GOSISDBHSA-N 1 0 313.832 4.181 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000272181156 535410794 /nfs/dbraw/zinc/41/07/94/535410794.db2.gz FVUGKPSUEBPKOI-OAHLLOKOSA-N 1 0 306.409 4.297 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000285924854 536902004 /nfs/dbraw/zinc/90/20/04/536902004.db2.gz DXIFZVWFKGHYHS-GJZGRUSLSA-N 1 0 324.424 4.296 20 30 DIEDRO C[C@H](c1cccc(Br)c1)[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC001254674966 1046474109 /nfs/dbraw/zinc/47/41/09/1046474109.db2.gz BFDQWHFVERREKT-XUJVJEKNSA-N 1 0 307.235 4.134 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(c2cccc(Br)c2)CC1 ZINC001172484380 1051403451 /nfs/dbraw/zinc/40/34/51/1051403451.db2.gz DPHXCMKMVBNIQQ-GFCCVEGCSA-N 1 0 307.235 4.110 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000808429245 1052016682 /nfs/dbraw/zinc/01/66/82/1052016682.db2.gz GKIQGUMHRSWPNU-UHFFFAOYSA-N 1 0 302.390 4.155 20 30 DIEDRO C=C(Br)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC001473567196 1054747310 /nfs/dbraw/zinc/74/73/10/1054747310.db2.gz ZGSYKGSIUCZICE-HNNXBMFYSA-N 1 0 312.226 4.131 20 30 DIEDRO C=C(CC)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC001560886116 1060747755 /nfs/dbraw/zinc/74/77/55/1060747755.db2.gz VFEQEWTYQPTGIG-NSHDSACASA-N 1 0 300.215 4.075 20 30 DIEDRO C=CCCCC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC001473472445 1061179109 /nfs/dbraw/zinc/17/91/09/1061179109.db2.gz NMRBQPCWIKFWIV-HNNXBMFYSA-N 1 0 302.245 4.147 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@H](C)c2cccc(Br)c2)CC1 ZINC001474694593 1062423097 /nfs/dbraw/zinc/42/30/97/1062423097.db2.gz JDGMXHSAPPMVAT-ZQIUZPCESA-N 1 0 320.274 4.334 20 30 DIEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001308427525 1065980933 /nfs/dbraw/zinc/98/09/33/1065980933.db2.gz CQHSIRIZWPUQFN-LLVKDONJSA-N 1 0 309.251 4.235 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]Cc2coc3ccccc23)c1 ZINC000339407140 1035551710 /nfs/dbraw/zinc/55/17/10/1035551710.db2.gz LVLMHAQNZZZPPU-UHFFFAOYSA-N 1 0 320.392 4.405 20 30 DIEDRO C=CCc1cc(C[NH2+]Cc2coc3ccccc23)cc(OC)c1O ZINC000339405547 1035552052 /nfs/dbraw/zinc/55/20/52/1035552052.db2.gz BMXZBRPLBIAGMH-UHFFFAOYSA-N 1 0 323.392 4.165 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2coc3ccccc23)cc1OC ZINC000339409454 1035554378 /nfs/dbraw/zinc/55/43/78/1035554378.db2.gz JNQDZZLQHSGAME-UHFFFAOYSA-N 1 0 323.392 4.296 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)CC2CCC2)cc1 ZINC000577819190 1035651163 /nfs/dbraw/zinc/65/11/63/1035651163.db2.gz XIXOVTTZBWMHHN-UHFFFAOYSA-N 1 0 308.400 4.500 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001167062671 1035685880 /nfs/dbraw/zinc/68/58/80/1035685880.db2.gz MHYCDFSJMSDODH-XJKSGUPXSA-N 1 0 314.256 4.457 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000154324967 1035868636 /nfs/dbraw/zinc/86/86/36/1035868636.db2.gz DANKJSVJBPNVJJ-KDOFPFPSSA-N 1 0 322.408 4.131 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000154332860 1035871897 /nfs/dbraw/zinc/87/18/97/1035871897.db2.gz FHOXWCJDJVIPPE-WFASDCNBSA-N 1 0 311.454 4.305 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001209157467 1036035858 /nfs/dbraw/zinc/03/58/58/1036035858.db2.gz WINOWOVBNOVVCV-LJQANCHMSA-N 1 0 322.493 4.208 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001625833542 1036106069 /nfs/dbraw/zinc/10/60/69/1036106069.db2.gz NZOPMWRGEOLDJQ-SITXOQRHSA-N 1 0 320.521 4.426 20 30 DIEDRO CC[N@H+](CCc1c(F)cccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC001167130101 1036158462 /nfs/dbraw/zinc/15/84/62/1036158462.db2.gz DTGIENOIYNGTLX-AWEZNQCLSA-N 1 0 314.379 4.462 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(Cl)n1)[C@H](C)c1ccc(C#N)cc1 ZINC001167131233 1036158482 /nfs/dbraw/zinc/15/84/82/1036158482.db2.gz NEQSJXZPXROZBP-CQSZACIVSA-N 1 0 313.832 4.498 20 30 DIEDRO CC[N@H+](CCOC1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC001167131758 1036162152 /nfs/dbraw/zinc/16/21/52/1036162152.db2.gz SAUKTTZOTLEWAT-INIZCTEOSA-N 1 0 300.446 4.290 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209439724 1036181657 /nfs/dbraw/zinc/18/16/57/1036181657.db2.gz WVBDVWATQWYZKU-VQTJNVASSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001209439723 1036181939 /nfs/dbraw/zinc/18/19/39/1036181939.db2.gz WVBDVWATQWYZKU-UXHICEINSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC2(C[C@H]2C(=O)N(C)C)CC1 ZINC001209444035 1036190805 /nfs/dbraw/zinc/19/08/05/1036190805.db2.gz LJFXOEFSRISHMJ-SFHVURJKSA-N 1 0 320.521 4.093 20 30 DIEDRO CCC[N@H+](CCOc1ccccc1C#N)CC1CCCCC1 ZINC001167147279 1036208236 /nfs/dbraw/zinc/20/82/36/1036208236.db2.gz SZMACDFXJGNKHI-UHFFFAOYSA-N 1 0 300.446 4.229 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCc2ccccc2C1 ZINC001167164139 1036230018 /nfs/dbraw/zinc/23/00/18/1036230018.db2.gz NXOBSRWVVPKWHR-QGZVFWFLSA-N 1 0 310.466 4.389 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC001167164078 1036232106 /nfs/dbraw/zinc/23/21/06/1036232106.db2.gz NFTQSVIPWUVWIO-OAQYLSRUSA-N 1 0 304.437 4.328 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC001204461610 1036262030 /nfs/dbraw/zinc/26/20/30/1036262030.db2.gz VHCXQXGNVTXHPU-UHFFFAOYSA-N 1 0 308.400 4.251 20 30 DIEDRO CCC1(C)CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC001167267543 1036351165 /nfs/dbraw/zinc/35/11/65/1036351165.db2.gz GVZXWNYJTUSKAC-UHFFFAOYSA-N 1 0 321.262 4.333 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001167276556 1036359123 /nfs/dbraw/zinc/35/91/23/1036359123.db2.gz PEUCVULHASLDAS-MRXNPFEDSA-N 1 0 310.482 4.064 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000610271330 1036406713 /nfs/dbraw/zinc/40/67/13/1036406713.db2.gz CIWHSHMKEOHURW-GBESFXJTSA-N 1 0 312.457 4.428 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000610271484 1036407411 /nfs/dbraw/zinc/40/74/11/1036407411.db2.gz NMOBSEHQWMBSDE-UXHICEINSA-N 1 0 312.457 4.428 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000610271485 1036407460 /nfs/dbraw/zinc/40/74/60/1036407460.db2.gz NMOBSEHQWMBSDE-VQTJNVASSA-N 1 0 312.457 4.428 20 30 DIEDRO CC1(C)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001167288062 1036442775 /nfs/dbraw/zinc/44/27/75/1036442775.db2.gz XGGXIEGDKMNUKD-UHFFFAOYSA-N 1 0 311.347 4.059 20 30 DIEDRO C=CC[N@@H+](CCCCF)Cc1cc(Br)ccc1F ZINC001167291188 1036464228 /nfs/dbraw/zinc/46/42/28/1036464228.db2.gz IKAFCOUFKPXRFJ-UHFFFAOYSA-N 1 0 318.205 4.326 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC001648817089 1036577115 /nfs/dbraw/zinc/57/71/15/1036577115.db2.gz URGYISABLCNGCH-HIFRSBDPSA-N 1 0 313.363 4.462 20 30 DIEDRO CCCCOc1ccc(CC[NH2+]Cc2csc(C#N)c2)cc1 ZINC001648822111 1036587797 /nfs/dbraw/zinc/58/77/97/1036587797.db2.gz RGBRTYGDVGMYOT-UHFFFAOYSA-N 1 0 314.454 4.131 20 30 DIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCCC1(C)C ZINC001167314941 1036662258 /nfs/dbraw/zinc/66/22/58/1036662258.db2.gz SZWJYIBQHKIAOK-IBGZPJMESA-N 1 0 314.473 4.223 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000157778106 1036700882 /nfs/dbraw/zinc/70/08/82/1036700882.db2.gz HJERBZVBKLVKJB-IBGZPJMESA-N 1 0 308.425 4.444 20 30 DIEDRO C[NH+](C)[C@@H](CNc1cccc(Cl)c1C#N)c1cccc(F)c1 ZINC000610322519 1036775224 /nfs/dbraw/zinc/77/52/24/1036775224.db2.gz BBWWPSDXZAEORN-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1cccc(C#N)c1 ZINC000610344928 1036838487 /nfs/dbraw/zinc/83/84/87/1036838487.db2.gz MVZSRRAYPXPFFG-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1SC ZINC000610345169 1036839574 /nfs/dbraw/zinc/83/95/74/1036839574.db2.gz WCHZFSOCWLUECW-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167361030 1036978708 /nfs/dbraw/zinc/97/87/08/1036978708.db2.gz YLBBCBUHZLAHIK-INIZCTEOSA-N 1 0 312.498 4.146 20 30 DIEDRO C=CCCCCC[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC001167360949 1036979601 /nfs/dbraw/zinc/97/96/01/1036979601.db2.gz VYFGGDJOCMKCTO-MRXNPFEDSA-N 1 0 322.443 4.390 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001167367629 1036995805 /nfs/dbraw/zinc/99/58/05/1036995805.db2.gz OUBBFOWZWBQCKN-NRFANRHFSA-N 1 0 307.412 4.231 20 30 DIEDRO C[C@H]1C[C@H](Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379680253 1037067844 /nfs/dbraw/zinc/06/78/44/1037067844.db2.gz LODXPNXSHICLBW-OXJNMPFZSA-N 1 0 305.425 4.023 20 30 DIEDRO C=CC[N@@H+](CCC(=O)N(C)c1ccccc1)CC1CCCCC1 ZINC001167390955 1037101717 /nfs/dbraw/zinc/10/17/17/1037101717.db2.gz DCIMYRDTZRVSBK-UHFFFAOYSA-N 1 0 314.473 4.108 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)c1 ZINC000275908798 1037189179 /nfs/dbraw/zinc/18/91/79/1037189179.db2.gz UCUZYHRUAGZEDJ-LSDHHAIUSA-N 1 0 308.347 4.258 20 30 DIEDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000728302543 1037230403 /nfs/dbraw/zinc/23/04/03/1037230403.db2.gz UIRSBWFHCSINQM-AZUAARDMSA-N 1 0 313.489 4.485 20 30 DIEDRO CCCCCCCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001125469650 1037271055 /nfs/dbraw/zinc/27/10/55/1037271055.db2.gz WTLBEPONIFSBRY-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CCCOCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000580848792 1037329600 /nfs/dbraw/zinc/32/96/00/1037329600.db2.gz PXHSACPRUMBURQ-UHFFFAOYSA-N 1 0 322.861 4.146 20 30 DIEDRO CCC[N@H+](Cc1cccc(C#N)c1F)[C@@H]1C[C@H](OCC)C1(C)C ZINC001167443263 1037413500 /nfs/dbraw/zinc/41/35/00/1037413500.db2.gz QYNHGZAOJJXBMP-SJORKVTESA-N 1 0 318.436 4.113 20 30 DIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001167452413 1037506038 /nfs/dbraw/zinc/50/60/38/1037506038.db2.gz CDUIKUNBGFNUQD-KRWDZBQOSA-N 1 0 315.417 4.257 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCCCC[C@H]1CC(C)C ZINC001167454452 1037529540 /nfs/dbraw/zinc/52/95/40/1037529540.db2.gz WPMOTPAESNBXDG-SFHVURJKSA-N 1 0 300.446 4.358 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cnn1C(C)(C)C ZINC000276328196 1037706153 /nfs/dbraw/zinc/70/61/53/1037706153.db2.gz IECYJSWXIVXVKA-UONOGXRCSA-N 1 0 310.445 4.230 20 30 DIEDRO C=CCOCC[NH+]1CCC(c2c[nH]c3c2cccc3CC)CC1 ZINC000581596113 1037766803 /nfs/dbraw/zinc/76/68/03/1037766803.db2.gz WELMZBAQSFRJMQ-UHFFFAOYSA-N 1 0 312.457 4.112 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(F)c(COC)c1)c1ccco1 ZINC000276387559 1037777153 /nfs/dbraw/zinc/77/71/53/1037777153.db2.gz AVWQQDFIBGMZTN-KRWDZBQOSA-N 1 0 303.377 4.362 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000477169663 1037819971 /nfs/dbraw/zinc/81/99/71/1037819971.db2.gz KPTPVLNSJRFYSY-FQEVSTJZSA-N 1 0 306.409 4.164 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)cc1 ZINC000581667291 1037880859 /nfs/dbraw/zinc/88/08/59/1037880859.db2.gz ZOIPIJXTDKYZBR-UHFFFAOYSA-N 1 0 311.454 4.157 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000078303321 1037924714 /nfs/dbraw/zinc/92/47/14/1037924714.db2.gz NCMPDDYUIIITDU-OAQYLSRUSA-N 1 0 319.452 4.277 20 30 DIEDRO C[C@H](c1nc2ccccc2s1)N(C)Cc1csc(C#N)c1 ZINC000891517267 1038004647 /nfs/dbraw/zinc/00/46/47/1038004647.db2.gz TVPYWMUWUMUDIL-LLVKDONJSA-N 1 0 313.451 4.422 20 30 DIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602443394 1038007348 /nfs/dbraw/zinc/00/73/48/1038007348.db2.gz USRJCJZXJNWPJB-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)oc21 ZINC000602501365 1038015422 /nfs/dbraw/zinc/01/54/22/1038015422.db2.gz GHUJWPDERCCAQP-UONOGXRCSA-N 1 0 300.402 4.422 20 30 DIEDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](C)CCC#N)oc21 ZINC000602501363 1038016141 /nfs/dbraw/zinc/01/61/41/1038016141.db2.gz GHUJWPDERCCAQP-KGLIPLIRSA-N 1 0 300.402 4.422 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)CCO2 ZINC000933489419 1038020248 /nfs/dbraw/zinc/02/02/48/1038020248.db2.gz SARLUFSXLGLCEJ-OAHLLOKOSA-N 1 0 320.436 4.273 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602517826 1038024152 /nfs/dbraw/zinc/02/41/52/1038024152.db2.gz JGOYRERDMAFQTM-DLBZAZTESA-N 1 0 302.462 4.324 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000602517638 1038024777 /nfs/dbraw/zinc/02/47/77/1038024777.db2.gz ICEMHRMJOFCKEM-SJORKVTESA-N 1 0 323.440 4.251 20 30 DIEDRO CCCCOc1ccc(CC[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602516728 1038024850 /nfs/dbraw/zinc/02/48/50/1038024850.db2.gz PNCUMSIFQHYKPQ-UHFFFAOYSA-N 1 0 300.446 4.080 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)CCC#N)cc1OC ZINC000602515076 1038025273 /nfs/dbraw/zinc/02/52/73/1038025273.db2.gz TXDMZBYQSFMCMY-CABCVRRESA-N 1 0 304.434 4.074 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000602504931 1038029328 /nfs/dbraw/zinc/02/93/28/1038029328.db2.gz NZYVAWRUVRIVMO-BZUNDVKYSA-N 1 0 307.235 4.182 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000602508851 1038031395 /nfs/dbraw/zinc/03/13/95/1038031395.db2.gz BTEQDUQFRIMBMM-NEPJUHHUSA-N 1 0 300.324 4.176 20 30 DIEDRO N#CC1CCC([NH2+]CCCc2cccc(Br)c2)CC1 ZINC000602543865 1038033566 /nfs/dbraw/zinc/03/35/66/1038033566.db2.gz BKIUPEVYUHOWNN-UHFFFAOYSA-N 1 0 321.262 4.054 20 30 DIEDRO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1cccc(C#N)n1)C(C)C ZINC000602543802 1038033671 /nfs/dbraw/zinc/03/36/71/1038033671.db2.gz ADFQDASWESNVQQ-IBGZPJMESA-N 1 0 319.408 4.495 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](C)CCC#N)c(C)c2c1 ZINC000602538432 1038034037 /nfs/dbraw/zinc/03/40/37/1038034037.db2.gz LVVSZIZOUQMHTO-JSGCOSHPSA-N 1 0 300.402 4.340 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000602527135 1038034121 /nfs/dbraw/zinc/03/41/21/1038034121.db2.gz ZQRCWOSXHSPOQL-QGZVFWFLSA-N 1 0 308.425 4.262 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000602526436 1038035091 /nfs/dbraw/zinc/03/50/91/1038035091.db2.gz WTDOIPCVOBCRSY-WBMJQRKESA-N 1 0 308.372 4.195 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000602526425 1038035272 /nfs/dbraw/zinc/03/52/72/1038035272.db2.gz WTDOIPCVOBCRSY-BLLLJJGKSA-N 1 0 308.372 4.195 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC000602531231 1038036331 /nfs/dbraw/zinc/03/63/31/1038036331.db2.gz UMIWEBBKPBXACJ-KGLIPLIRSA-N 1 0 323.278 4.300 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000602556847 1038036466 /nfs/dbraw/zinc/03/64/66/1038036466.db2.gz WEIJHMKGZKAELM-LPHOPBHVSA-N 1 0 300.446 4.000 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+]C3CCC(C#N)CC3)cc2)cs1 ZINC000602532438 1038036718 /nfs/dbraw/zinc/03/67/18/1038036718.db2.gz KPXZXCNPTNWRGU-UHFFFAOYSA-N 1 0 311.454 4.291 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)c(Cl)c1 ZINC000602535011 1038037733 /nfs/dbraw/zinc/03/77/33/1038037733.db2.gz XCVMXVGPDHCZHI-UHFFFAOYSA-N 1 0 320.223 4.285 20 30 DIEDRO N#CC1CCC([NH2+]CCCO[C@H]2CCCc3ccccc32)CC1 ZINC000602557308 1038037972 /nfs/dbraw/zinc/03/79/72/1038037972.db2.gz ZGTFCXKOHYEJDE-NLPFYKDJSA-N 1 0 312.457 4.143 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000602532667 1038038236 /nfs/dbraw/zinc/03/82/36/1038038236.db2.gz ZQVUJGLPPBNVGX-AWEZNQCLSA-N 1 0 313.376 4.042 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000178178328 1038039191 /nfs/dbraw/zinc/03/91/91/1038039191.db2.gz CKUBUGQOXKARRC-ZIAGYGMSSA-N 1 0 310.445 4.230 20 30 DIEDRO COc1ccc(-c2csc(C[NH2+]C[C@H](C)CCC#N)c2)cc1 ZINC000602572128 1038039832 /nfs/dbraw/zinc/03/98/32/1038039832.db2.gz KHSWMOMAJUSWKW-CQSZACIVSA-N 1 0 314.454 4.453 20 30 DIEDRO N#CC1CCC([NH2+][C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000602562588 1038040000 /nfs/dbraw/zinc/04/00/00/1038040000.db2.gz XEWQEXOLTZRWEG-ZPPKWKGLSA-N 1 0 311.212 4.099 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]C2CCC(C#N)CC2)c2ccc(F)cc2O1 ZINC000602572569 1038040953 /nfs/dbraw/zinc/04/09/53/1038040953.db2.gz QVULYPMGONBFPA-LDZOIKDWSA-N 1 0 302.393 4.100 20 30 DIEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cccc(C#N)n1 ZINC000602574114 1038041001 /nfs/dbraw/zinc/04/10/01/1038041001.db2.gz WXIJWGLBMJKJJC-LJQANCHMSA-N 1 0 323.440 4.229 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000602569725 1038041182 /nfs/dbraw/zinc/04/11/82/1038041182.db2.gz RLRJQLFJBOUWFQ-KBPBESRZSA-N 1 0 304.409 4.205 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[NH2+]C1CCC(C#N)CC1 ZINC000602568846 1038041307 /nfs/dbraw/zinc/04/13/07/1038041307.db2.gz NKAOXTJJKKIZSK-OPFPJEHXSA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000602567645 1038041476 /nfs/dbraw/zinc/04/14/76/1038041476.db2.gz IZSNGMYPYUYTPW-KSSFIOAISA-N 1 0 313.832 4.354 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)n1 ZINC000602569951 1038041573 /nfs/dbraw/zinc/04/15/73/1038041573.db2.gz DTQPZBHWYRITLK-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(C#N)CC2)c(OC(C)(C)C)c1 ZINC000602570826 1038041820 /nfs/dbraw/zinc/04/18/20/1038041820.db2.gz ULJILZDRBKSTAS-UHFFFAOYSA-N 1 0 300.446 4.344 20 30 DIEDRO COc1cccc(C2(C[NH2+]C[C@@H](C)CCC#N)CCCC2)c1 ZINC000602566971 1038042355 /nfs/dbraw/zinc/04/23/55/1038042355.db2.gz SEZYLQVOYLYVBD-INIZCTEOSA-N 1 0 300.446 4.036 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH2+]C1CCC(C#N)CC1 ZINC000602568845 1038042495 /nfs/dbraw/zinc/04/24/95/1038042495.db2.gz NKAOXTJJKKIZSK-DNOWBOINSA-N 1 0 321.262 4.052 20 30 DIEDRO CC1(C)CC[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)n3)c3cccc1c32 ZINC000602581400 1038046191 /nfs/dbraw/zinc/04/61/91/1038046191.db2.gz JOEPTWBWUBUHSY-LIRRHRJNSA-N 1 0 317.436 4.343 20 30 DIEDRO Cn1c(C[NH2+][C@@H](CCC#N)c2ccccc2)cc2ccccc21 ZINC000602579588 1038048170 /nfs/dbraw/zinc/04/81/70/1038048170.db2.gz BCVTYRNQEXHPRS-IBGZPJMESA-N 1 0 303.409 4.313 20 30 DIEDRO N#CC1CCC([NH2+]Cc2nc(-c3ccccc3F)cs2)CC1 ZINC000602640842 1038053979 /nfs/dbraw/zinc/05/39/79/1038053979.db2.gz RWVYZPCMUYLBLN-UHFFFAOYSA-N 1 0 315.417 4.121 20 30 DIEDRO Cc1ccc([C@H]([NH2+]C2CCC(C#N)CC2)c2ccccn2)cc1 ZINC000602648159 1038056662 /nfs/dbraw/zinc/05/66/62/1038056662.db2.gz MEEWBISTUUWTBZ-NLPFYKDJSA-N 1 0 305.425 4.151 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000341484639 1038059300 /nfs/dbraw/zinc/05/93/00/1038059300.db2.gz IHOURGRKPJLZEM-MRXNPFEDSA-N 1 0 324.262 4.009 20 30 DIEDRO C[C@@H](CCC#N)CNc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000602700094 1038072035 /nfs/dbraw/zinc/07/20/35/1038072035.db2.gz RURQXSLLWGUGOA-INIZCTEOSA-N 1 0 317.502 4.226 20 30 DIEDRO Cc1cc([C@H]2CC[N@@H+](C[C@H](C)CCC#N)C2)c(O)cc1Cl ZINC000602714056 1038076029 /nfs/dbraw/zinc/07/60/29/1038076029.db2.gz SJELFNRZHNDBBA-OCCSQVGLSA-N 1 0 306.837 4.083 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602768984 1038088803 /nfs/dbraw/zinc/08/88/03/1038088803.db2.gz PGJSJCJIYUZFEM-UHFFFAOYSA-N 1 0 307.441 4.350 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)c(Cl)c1 ZINC001232116947 1038098184 /nfs/dbraw/zinc/09/81/84/1038098184.db2.gz STZMPJCHXLXNNQ-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889374 1038103824 /nfs/dbraw/zinc/10/38/24/1038103824.db2.gz VNNXKSZDLMLXMP-KRWDZBQOSA-N 1 0 322.456 4.139 20 30 DIEDRO COc1ccc(C([NH2+][C@H](C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000602988215 1038120116 /nfs/dbraw/zinc/12/01/16/1038120116.db2.gz CCSKAZOUIZQQAA-OAHLLOKOSA-N 1 0 324.424 4.075 20 30 DIEDRO CCC[N@H+](Cc1cc2cnccc2o1)Cc1ccc(C#N)cc1 ZINC000593566564 1038123894 /nfs/dbraw/zinc/12/38/94/1038123894.db2.gz KKEHWQWYIHZFKW-UHFFFAOYSA-N 1 0 305.381 4.112 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000598602109 1038125816 /nfs/dbraw/zinc/12/58/16/1038125816.db2.gz LARDEYCRSBPWDQ-DLBZAZTESA-N 1 0 320.864 4.072 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000598602121 1038126029 /nfs/dbraw/zinc/12/60/29/1038126029.db2.gz LARDEYCRSBPWDQ-IRXDYDNUSA-N 1 0 320.864 4.072 20 30 DIEDRO CC(C)C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000598603748 1038126940 /nfs/dbraw/zinc/12/69/40/1038126940.db2.gz ZYYFYGCREQKRJT-SJORKVTESA-N 1 0 322.880 4.318 20 30 DIEDRO CC[N@H+](Cc1cc2cnccc2o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000593568034 1038127121 /nfs/dbraw/zinc/12/71/21/1038127121.db2.gz SURPDCXYWWFYAV-AWEZNQCLSA-N 1 0 305.381 4.283 20 30 DIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598590613 1038128465 /nfs/dbraw/zinc/12/84/65/1038128465.db2.gz RTABSRRSMIPEDR-DZGCQCFKSA-N 1 0 320.864 4.166 20 30 DIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)c1C ZINC000598596839 1038128794 /nfs/dbraw/zinc/12/87/94/1038128794.db2.gz UMCNKZAMQRJMFM-HKUYNNGSSA-N 1 0 314.473 4.131 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000598587978 1038129801 /nfs/dbraw/zinc/12/98/01/1038129801.db2.gz YGNGBLKGMQHJTQ-XLIONFOSSA-N 1 0 322.452 4.277 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1CCC1 ZINC000598592548 1038129970 /nfs/dbraw/zinc/12/99/70/1038129970.db2.gz MBMNWAVXAYVQJR-APWZRJJASA-N 1 0 314.473 4.150 20 30 DIEDRO CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000598587279 1038130092 /nfs/dbraw/zinc/13/00/92/1038130092.db2.gz NXUKULJVFXHBHP-GDBMZVCRSA-N 1 0 314.429 4.116 20 30 DIEDRO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598589725 1038130142 /nfs/dbraw/zinc/13/01/42/1038130142.db2.gz KXTJVVPZVUGIOJ-IBGZPJMESA-N 1 0 322.452 4.086 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C(C)C)cc1 ZINC000170668725 1038162233 /nfs/dbraw/zinc/16/22/33/1038162233.db2.gz HKRIYMZNKMBECO-FQEVSTJZSA-N 1 0 324.424 4.084 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000341596904 1038166702 /nfs/dbraw/zinc/16/67/02/1038166702.db2.gz NASXXYLZKJYIEH-CXAGYDPISA-N 1 0 316.470 4.096 20 30 DIEDRO C[C@H](CSc1ccccc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000593644851 1038192685 /nfs/dbraw/zinc/19/26/85/1038192685.db2.gz NRLGJUIGFDDNLA-CYBMUJFWSA-N 1 0 302.468 4.232 20 30 DIEDRO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000593644852 1038193012 /nfs/dbraw/zinc/19/30/12/1038193012.db2.gz NRLGJUIGFDDNLA-ZDUSSCGKSA-N 1 0 302.468 4.232 20 30 DIEDRO N#CC1(CC[N@@H+]2CC[C@H](COc3ccccc3)C2)CCCCC1 ZINC001168414250 1038198088 /nfs/dbraw/zinc/19/80/88/1038198088.db2.gz OCCCTXNKOCKCSH-SFHVURJKSA-N 1 0 312.457 4.251 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CC[C@@H]2CCCC2(F)F)C2CC2)cc1 ZINC001168414322 1038200659 /nfs/dbraw/zinc/20/06/59/1038200659.db2.gz OWRGJDNARHXHKT-INIZCTEOSA-N 1 0 304.384 4.348 20 30 DIEDRO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000598955826 1038201339 /nfs/dbraw/zinc/20/13/39/1038201339.db2.gz MQPXJUCNHJTALL-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(Cl)s2)cc1 ZINC000061115502 1038212070 /nfs/dbraw/zinc/21/20/70/1038212070.db2.gz BMRJRPGPNKTHTP-UHFFFAOYSA-N 1 0 307.846 4.299 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)c1cc(F)c(Br)cc1F ZINC000599026679 1038218479 /nfs/dbraw/zinc/21/84/79/1038218479.db2.gz KPDZYYGQXICCLF-VIFPVBQESA-N 1 0 317.177 4.072 20 30 DIEDRO N#CCCCC[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000599025578 1038219067 /nfs/dbraw/zinc/21/90/67/1038219067.db2.gz DBFKEGKOVMHRJW-MRXNPFEDSA-N 1 0 301.821 4.482 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCc2c[nH]c3c2cccc3Cl)CC1 ZINC000599019044 1038221423 /nfs/dbraw/zinc/22/14/23/1038221423.db2.gz PISXYXOXVSJZBC-UHFFFAOYSA-N 1 0 315.848 4.426 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1cc(C#N)cs1 ZINC000933773510 1038222616 /nfs/dbraw/zinc/22/26/16/1038222616.db2.gz NMMULDYDYQZBLO-GFCCVEGCSA-N 1 0 315.398 4.029 20 30 DIEDRO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000599049489 1038223501 /nfs/dbraw/zinc/22/35/01/1038223501.db2.gz YQEWVTZUIRDGRT-YDHLFZDLSA-N 1 0 321.262 4.491 20 30 DIEDRO CN(C)c1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000610614580 1038224417 /nfs/dbraw/zinc/22/44/17/1038224417.db2.gz UKECJDVRBOVFNA-RTWAWAEBSA-N 1 0 319.452 4.024 20 30 DIEDRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccc(C#N)cc1F ZINC000599086385 1038236794 /nfs/dbraw/zinc/23/67/94/1038236794.db2.gz KYLKAFUPASNTGJ-LLVKDONJSA-N 1 0 314.326 4.471 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccco1 ZINC000796679093 1038237955 /nfs/dbraw/zinc/23/79/55/1038237955.db2.gz MTMHWXPIBKZMIO-HOTGVXAUSA-N 1 0 305.805 4.264 20 30 DIEDRO C=CCCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000091509479 1038261003 /nfs/dbraw/zinc/26/10/03/1038261003.db2.gz TYGWNGXTXDIQCV-KRWDZBQOSA-N 1 0 302.462 4.227 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000593716681 1038262161 /nfs/dbraw/zinc/26/21/61/1038262161.db2.gz QNAUOIQTXFYTLK-LEWJYISDSA-N 1 0 324.468 4.121 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1C#N ZINC000599252815 1038262771 /nfs/dbraw/zinc/26/27/71/1038262771.db2.gz UCHBXEPGHWXNQG-UHFFFAOYSA-N 1 0 320.436 4.048 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000341760616 1038263470 /nfs/dbraw/zinc/26/34/70/1038263470.db2.gz MGZLJYDDOKAQFK-BFUOFWGJSA-N 1 0 321.380 4.195 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1C#N ZINC000599355343 1038273363 /nfs/dbraw/zinc/27/33/63/1038273363.db2.gz ZCDBASCNTGPTIS-GHTZIAJQSA-N 1 0 320.436 4.124 20 30 DIEDRO C[C@@H]([NH2+]CCC1Cc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000561749619 1038273628 /nfs/dbraw/zinc/27/36/28/1038273628.db2.gz XLNOJONCMDRBMS-CQSZACIVSA-N 1 0 308.400 4.153 20 30 DIEDRO CC(C)C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000599355642 1038273615 /nfs/dbraw/zinc/27/36/15/1038273615.db2.gz CVSYMNVZUIZNRA-IAGOWNOFSA-N 1 0 320.864 4.072 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000599353572 1038273793 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CC(C)(C#N)CCC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000599533644 1038308930 /nfs/dbraw/zinc/30/89/30/1038308930.db2.gz QYNUEQQJKSPBLW-UHFFFAOYSA-N 1 0 301.459 4.451 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000599542505 1038310470 /nfs/dbraw/zinc/31/04/70/1038310470.db2.gz UPSRFAVQJCLVGY-RKDXNWHRSA-N 1 0 317.177 4.070 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599542499 1038311313 /nfs/dbraw/zinc/31/13/13/1038311313.db2.gz UPSRFAVQJCLVGY-BDAKNGLRSA-N 1 0 317.177 4.070 20 30 DIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000603895506 1038315188 /nfs/dbraw/zinc/31/51/88/1038315188.db2.gz IGYWGHNXGXRUNA-LJQANCHMSA-N 1 0 308.381 4.270 20 30 DIEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584001 1038317731 /nfs/dbraw/zinc/31/77/31/1038317731.db2.gz UNPAYXPKVBQZDU-HOTGVXAUSA-N 1 0 322.493 4.006 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000535723368 1038321517 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N#Cc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)ccn1 ZINC000610991910 1038422529 /nfs/dbraw/zinc/42/25/29/1038422529.db2.gz UERYEGLONZNOTA-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)c1 ZINC000604525620 1038423262 /nfs/dbraw/zinc/42/32/62/1038423262.db2.gz HBJLOFJFVMRVOS-UHFFFAOYSA-N 1 0 306.340 4.247 20 30 DIEDRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)c1 ZINC000582011641 1038423437 /nfs/dbraw/zinc/42/34/37/1038423437.db2.gz JOOKAFSUUFBAND-SFHVURJKSA-N 1 0 319.452 4.181 20 30 DIEDRO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610993531 1038424666 /nfs/dbraw/zinc/42/46/66/1038424666.db2.gz WLHNYZVPYIGTAD-OXJNMPFZSA-N 1 0 305.425 4.235 20 30 DIEDRO CCCc1ccc([C@@H]([NH2+]Cc2ccnc(C#N)c2)C(C)C)cc1 ZINC000610994238 1038425916 /nfs/dbraw/zinc/42/59/16/1038425916.db2.gz PTKOAFJXQFUDME-FQEVSTJZSA-N 1 0 307.441 4.393 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cccc(OC(F)F)c1 ZINC000065234709 1038430263 /nfs/dbraw/zinc/43/02/63/1038430263.db2.gz 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CC(C)[N@H+](CCc1noc2ccccc21)Cc1ccc(C#N)cc1 ZINC000593955137 1038569592 /nfs/dbraw/zinc/56/95/92/1038569592.db2.gz YGYJDTSEGAMPKW-UHFFFAOYSA-N 1 0 319.408 4.153 20 30 DIEDRO CC[N@H+](CCc1noc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000593947376 1038573829 /nfs/dbraw/zinc/57/38/29/1038573829.db2.gz IYLQJGQZQWDKKQ-OAHLLOKOSA-N 1 0 319.408 4.325 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)sc2C)ccc1C#N ZINC000234937652 1038575968 /nfs/dbraw/zinc/57/59/68/1038575968.db2.gz AKZPHADFOQPLQG-LBPRGKRZSA-N 1 0 300.427 4.096 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)(C)C ZINC000934285990 1038580561 /nfs/dbraw/zinc/58/05/61/1038580561.db2.gz CEWZQEBFDLSBQJ-LJQANCHMSA-N 1 0 307.441 4.333 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)(C)C ZINC000934285989 1038581304 /nfs/dbraw/zinc/58/13/04/1038581304.db2.gz CEWZQEBFDLSBQJ-IBGZPJMESA-N 1 0 307.441 4.333 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cc(C)sc2C)ccc1C#N ZINC000234949695 1038590904 /nfs/dbraw/zinc/59/09/04/1038590904.db2.gz 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/nfs/dbraw/zinc/64/72/61/1038647261.db2.gz JAKKPGWYESYBCI-KRWDZBQOSA-N 1 0 312.413 4.485 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@H](CC)C2)cc(OC)c1O ZINC000607168226 1038661153 /nfs/dbraw/zinc/66/11/53/1038661153.db2.gz RXCYOKQFLBOREF-YOEHRIQHSA-N 1 0 303.446 4.188 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(Cc3ccc(F)cc3)CC1)CC2 ZINC000562090317 1038719027 /nfs/dbraw/zinc/71/90/27/1038719027.db2.gz QQKPVXIGKMWOEO-FQEVSTJZSA-N 1 0 320.411 4.297 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1F ZINC000611689465 1038751632 /nfs/dbraw/zinc/75/16/32/1038751632.db2.gz HZJKWLXWDHSMSA-KRWDZBQOSA-N 1 0 317.795 4.233 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1CNc1ccc(C#N)cc1F ZINC000063508241 1038756655 /nfs/dbraw/zinc/75/66/55/1038756655.db2.gz IQLWNNVCVSDZRD-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@](C)(CC)c2nc(C)cs2)cc1 ZINC000608060610 1038761762 /nfs/dbraw/zinc/76/17/62/1038761762.db2.gz YMVNUNLCURTCRY-GOSISDBHSA-N 1 0 316.470 4.431 20 30 DIEDRO N#Cc1ccc(C[N@@H+](C[C@H]2CCCCC2(F)F)C2CC2)cc1 ZINC001168423739 1038765148 /nfs/dbraw/zinc/76/51/48/1038765148.db2.gz PUGLVZPUDJWSII-MRXNPFEDSA-N 1 0 304.384 4.348 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000342786769 1038781950 /nfs/dbraw/zinc/78/19/50/1038781950.db2.gz TZLCEYJGUWBEIX-UHFFFAOYSA-N 1 0 322.456 4.056 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCCc4ccc(F)cc43)CC2)c1 ZINC000342791467 1038788539 /nfs/dbraw/zinc/78/85/39/1038788539.db2.gz NNTOBNJVHRGVAE-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO CCC[C@]1(C)CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000076145621 1038831594 /nfs/dbraw/zinc/83/15/94/1038831594.db2.gz QBVHROCYEUKAKQ-LJQANCHMSA-N 1 0 324.428 4.010 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncsc1Br ZINC000661116608 1038856407 /nfs/dbraw/zinc/85/64/07/1038856407.db2.gz YXLSADUQUCSZHR-QWRGUYRKSA-N 1 0 315.280 4.130 20 30 DIEDRO CCCCOc1cccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)c1 ZINC000174275662 1038922182 /nfs/dbraw/zinc/92/21/82/1038922182.db2.gz VOMTZONMQZVUGU-UHFFFAOYSA-N 1 0 324.424 4.036 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(CC=C)CCOCC2)cc1Cl ZINC000657633759 1038929630 /nfs/dbraw/zinc/92/96/30/1038929630.db2.gz WALYGHXIQXGDSU-UHFFFAOYSA-N 1 0 321.848 4.120 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)CCC#N)cc1F ZINC000174372578 1038929954 /nfs/dbraw/zinc/92/99/54/1038929954.db2.gz JMUAQNFHCVCBGZ-UHFFFAOYSA-N 1 0 305.441 4.091 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCOCC1 ZINC000657632968 1038932343 /nfs/dbraw/zinc/93/23/43/1038932343.db2.gz FPOFMIYAEXWBHJ-UHFFFAOYSA-N 1 0 317.326 4.059 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCC(C)CC2)ccc1OC ZINC000174387077 1038934408 /nfs/dbraw/zinc/93/44/08/1038934408.db2.gz QYQLGWWGDOFNSM-BDVYOWHSSA-N 1 0 316.445 4.044 20 30 DIEDRO C[C@@H]1C[C@@H](C)C[NH+](CCSc2cccc(Cl)c2C#N)C1 ZINC001307324810 1038940146 /nfs/dbraw/zinc/94/01/46/1038940146.db2.gz ZVBQELDVNWOKEV-CHWSQXEVSA-N 1 0 308.878 4.282 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)Cc2cccs2)cc1 ZINC000174534047 1038948231 /nfs/dbraw/zinc/94/82/31/1038948231.db2.gz CZUBZIJDDNNGSI-HUUCEWRRSA-N 1 0 314.454 4.007 20 30 DIEDRO Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)cc1C#N ZINC001167622140 1038952529 /nfs/dbraw/zinc/95/25/29/1038952529.db2.gz VKKXERVUCRIVCF-YLJYHZDGSA-N 1 0 304.437 4.320 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167624586 1038965960 /nfs/dbraw/zinc/96/59/60/1038965960.db2.gz BHXRVVIBHFFOPG-SFHVURJKSA-N 1 0 313.489 4.434 20 30 DIEDRO CN(CCc1ccccc1Cl)Cc1cc(F)ccc1C#N ZINC001232891926 1038966341 /nfs/dbraw/zinc/96/63/41/1038966341.db2.gz UIGIGKAOYVPINZ-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CC(C)[N@H+](CCC#N)C[C@H](C)c1cccc(Br)c1 ZINC000534337988 1039041048 /nfs/dbraw/zinc/04/10/48/1039041048.db2.gz XMOLGBAIGZCAJC-ZDUSSCGKSA-N 1 0 309.251 4.177 20 30 DIEDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001167633860 1039012400 /nfs/dbraw/zinc/01/24/00/1039012400.db2.gz GOPHGJQUAYPBBG-IBGZPJMESA-N 1 0 312.844 4.257 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CCC(C)C)ccc1OC ZINC000089632196 1039061847 /nfs/dbraw/zinc/06/18/47/1039061847.db2.gz ZIAXQCQAJCWZDM-RDJZCZTQSA-N 1 0 318.461 4.290 20 30 DIEDRO CC(C)(C)[C@H](NCc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000385965714 1039067256 /nfs/dbraw/zinc/06/72/56/1039067256.db2.gz GCSASVZTEFFHJR-OAHLLOKOSA-N 1 0 303.406 4.031 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000442693499 1039123360 /nfs/dbraw/zinc/12/33/60/1039123360.db2.gz PFHYKUTWJXIKNT-QAPCUYQASA-N 1 0 308.400 4.323 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000442799182 1039235194 /nfs/dbraw/zinc/23/51/94/1039235194.db2.gz KAWIASIXDQDOEI-HNNXBMFYSA-N 1 0 319.408 4.022 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000386102847 1039237221 /nfs/dbraw/zinc/23/72/21/1039237221.db2.gz OERSFHSZYHOBDB-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+]Cc1ccc(C#N)s1 ZINC000539472831 1039267925 /nfs/dbraw/zinc/26/79/25/1039267925.db2.gz KXHJNQYGOWJZHY-UHFFFAOYSA-N 1 0 320.845 4.140 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1ccc(C#N)cc1 ZINC000278206872 1039282692 /nfs/dbraw/zinc/28/26/92/1039282692.db2.gz HHZCJDJVLYWGCU-AUUYWEPGSA-N 1 0 324.424 4.377 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000150938043 1039293526 /nfs/dbraw/zinc/29/35/26/1039293526.db2.gz QWEGFFDVKCPICM-SFHVURJKSA-N 1 0 300.352 4.467 20 30 DIEDRO CC[N@H+](CCC(C)(C)C#N)Cc1cccc(Br)c1 ZINC000539588722 1039295709 /nfs/dbraw/zinc/29/57/09/1039295709.db2.gz QAQYNEPBIKKRFT-UHFFFAOYSA-N 1 0 309.251 4.211 20 30 DIEDRO CC(C)(C#N)CC[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000539615864 1039301883 /nfs/dbraw/zinc/30/18/83/1039301883.db2.gz PTRLEDFSNPYPAQ-LJQANCHMSA-N 1 0 308.425 4.336 20 30 DIEDRO C=CCN(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000156163629 1039304075 /nfs/dbraw/zinc/30/40/75/1039304075.db2.gz PIHBKJPBOYMRQU-UHFFFAOYSA-N 1 0 315.461 4.101 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(C#N)cc1 ZINC000278253718 1039327202 /nfs/dbraw/zinc/32/72/02/1039327202.db2.gz MWKMUAKYPCLRTH-RBUKOAKNSA-N 1 0 323.440 4.029 20 30 DIEDRO Cc1c(C)c(C[N@@H+]2CCC[C@H](C#N)CC2)ccc1Br ZINC001233222325 1039335030 /nfs/dbraw/zinc/33/50/30/1039335030.db2.gz OWUMMNNTWSEFOI-AWEZNQCLSA-N 1 0 321.262 4.192 20 30 DIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]Cc3ccc(C#N)o3)cc2)cs1 ZINC000343257708 1039350497 /nfs/dbraw/zinc/35/04/97/1039350497.db2.gz GFUMRXGVSDJOBU-LBPRGKRZSA-N 1 0 323.421 4.434 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1 ZINC000539835637 1039361474 /nfs/dbraw/zinc/36/14/74/1039361474.db2.gz JCRLGHHDBAHQPV-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)C1CC1 ZINC000245926602 1039402614 /nfs/dbraw/zinc/40/26/14/1039402614.db2.gz HZZLBGZNUITMKP-LNLFQRSKSA-N 1 0 318.530 4.465 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)C)c1ccc(C#N)cc1 ZINC000278361148 1039413130 /nfs/dbraw/zinc/41/31/30/1039413130.db2.gz BLCCTOPSDHPOPD-QYZOEREBSA-N 1 0 300.446 4.050 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000540295806 1039469122 /nfs/dbraw/zinc/46/91/22/1039469122.db2.gz DHXZWAHENGPFEK-AWEZNQCLSA-N 1 0 306.475 4.024 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCC[C@H]2C2CC2)cc1 ZINC000540317212 1039473268 /nfs/dbraw/zinc/47/32/68/1039473268.db2.gz IHUNVHWZCOZXRA-IRXDYDNUSA-N 1 0 307.359 4.225 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000540317278 1039473583 /nfs/dbraw/zinc/47/35/83/1039473583.db2.gz JRQQRAHZNXWNSE-LJQANCHMSA-N 1 0 303.446 4.109 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000540396128 1039487933 /nfs/dbraw/zinc/48/79/33/1039487933.db2.gz BCCFFLCGIQDDOT-MGPUTAFESA-N 1 0 313.441 4.074 20 30 DIEDRO C=CCCC[C@H](C)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000540539727 1039514912 /nfs/dbraw/zinc/51/49/12/1039514912.db2.gz QHEUUWPLCMFSIK-INIZCTEOSA-N 1 0 314.473 4.146 20 30 DIEDRO N#CC1(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000540549466 1039516130 /nfs/dbraw/zinc/51/61/30/1039516130.db2.gz NBQAAJXDBOTTDX-UHFFFAOYSA-N 1 0 319.246 4.112 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)c1ccccc1Cl ZINC000540592549 1039520438 /nfs/dbraw/zinc/52/04/38/1039520438.db2.gz VLKIPEAADGPFMW-UHFFFAOYSA-N 1 0 304.846 4.341 20 30 DIEDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000540607086 1039524988 /nfs/dbraw/zinc/52/49/88/1039524988.db2.gz KYEBPUCKHSUISH-OAHLLOKOSA-N 1 0 323.396 4.140 20 30 DIEDRO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Oc1cccc(Cl)c1 ZINC000540609260 1039527515 /nfs/dbraw/zinc/52/75/15/1039527515.db2.gz PALOAMIPOJCZNI-ZIAGYGMSSA-N 1 0 314.816 4.330 20 30 DIEDRO CCN(CCC(C)(C)C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000540667676 1039539422 /nfs/dbraw/zinc/53/94/22/1039539422.db2.gz HCGZRCOLDDKVDP-PKOBYXMFSA-N 1 0 313.489 4.084 20 30 DIEDRO CC(C)(C#N)CC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000540665037 1039540225 /nfs/dbraw/zinc/54/02/25/1039540225.db2.gz FPFYTIMQARQOPA-UHFFFAOYSA-N 1 0 321.262 4.358 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)Cc1cccs1 ZINC000540705149 1039544567 /nfs/dbraw/zinc/54/45/67/1039544567.db2.gz BFHNSQLFFAOWBA-STQMWFEESA-N 1 0 302.418 4.288 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000657817066 1039555421 /nfs/dbraw/zinc/55/54/21/1039555421.db2.gz MKSOUEOKJCIOHW-ZWKOTPCHSA-N 1 0 314.473 4.275 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000278596790 1039582112 /nfs/dbraw/zinc/58/21/12/1039582112.db2.gz GRUMHVQELBKUAN-CQSZACIVSA-N 1 0 315.417 4.142 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000540968526 1039599850 /nfs/dbraw/zinc/59/98/50/1039599850.db2.gz SNYXCVLRNDSCGB-GFCCVEGCSA-N 1 0 301.402 4.166 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(CC#N)CC2)cc1Cl ZINC000540995248 1039607955 /nfs/dbraw/zinc/60/79/55/1039607955.db2.gz CCKYJDGDDMIZNW-UHFFFAOYSA-N 1 0 304.821 4.030 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807100 1039616950 /nfs/dbraw/zinc/61/69/50/1039616950.db2.gz DTALRYYEIBDLJC-YWZLYKJASA-N 1 0 306.409 4.055 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000278644190 1039617711 /nfs/dbraw/zinc/61/77/11/1039617711.db2.gz HTJABMHEKRHDPK-ROUUACIJSA-N 1 0 310.372 4.262 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(Cl)c(Cl)c(Cl)c1 ZINC001233671132 1039652011 /nfs/dbraw/zinc/65/20/11/1039652011.db2.gz SDDCRJFYLCCTMA-SECBINFHSA-N 1 0 322.643 4.014 20 30 DIEDRO CC[N@H+](CCc1nccs1)Cc1ccccc1C(C)(C)C#N ZINC000159318030 1039652548 /nfs/dbraw/zinc/65/25/48/1039652548.db2.gz UPPGVZNVAGLPMQ-UHFFFAOYSA-N 1 0 313.470 4.009 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000541281250 1039653487 /nfs/dbraw/zinc/65/34/87/1039653487.db2.gz DPUMWEXNKIHXOG-FQEVSTJZSA-N 1 0 308.400 4.099 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000541314659 1039663059 /nfs/dbraw/zinc/66/30/59/1039663059.db2.gz IFFWIOYVEQMTBO-KKSFZXQISA-N 1 0 320.436 4.344 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2ccc(CC#N)cc2)C2CC2)ccc1F ZINC000541326141 1039665836 /nfs/dbraw/zinc/66/58/36/1039665836.db2.gz QHJBCWBTIVSBFB-HXUWFJFHSA-N 1 0 308.400 4.441 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000541349890 1039671027 /nfs/dbraw/zinc/67/10/27/1039671027.db2.gz CFBJMLXCUWFDIR-GOSISDBHSA-N 1 0 310.828 4.396 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(C#N)c(F)c1 ZINC000541566352 1039700844 /nfs/dbraw/zinc/70/08/44/1039700844.db2.gz LTDGZOOKYQTXPP-JTQLQIEISA-N 1 0 322.305 4.008 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(C)c2ncccc2c1 ZINC000541556480 1039705151 /nfs/dbraw/zinc/70/51/51/1039705151.db2.gz UZZNITIFLVSJLM-UHFFFAOYSA-N 1 0 306.409 4.367 20 30 DIEDRO Cc1ccccc1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000541702792 1039731911 /nfs/dbraw/zinc/73/19/11/1039731911.db2.gz SWMVPQZYQBVXTD-UHFFFAOYSA-N 1 0 304.437 4.441 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000179088866 1039732414 /nfs/dbraw/zinc/73/24/14/1039732414.db2.gz MTOJDRBDPHOPFM-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]2C ZINC000541922195 1039762522 /nfs/dbraw/zinc/76/25/22/1039762522.db2.gz QPRZEUKVSCCBLI-CABCVRRESA-N 1 0 306.409 4.075 20 30 DIEDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019348 1039781337 /nfs/dbraw/zinc/78/13/37/1039781337.db2.gz BRYIFCUGGQPAFF-INIZCTEOSA-N 1 0 315.420 4.415 20 30 DIEDRO C=C(C)C[NH+]1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000609144165 1039783734 /nfs/dbraw/zinc/78/37/34/1039783734.db2.gz RYFGFJANFOVQGP-IBGZPJMESA-N 1 0 315.457 4.012 20 30 DIEDRO CC[NH+](CC)CCCC1CCN(c2ccc(F)cc2C#N)CC1 ZINC000542039416 1039784218 /nfs/dbraw/zinc/78/42/18/1039784218.db2.gz RJTVNKDRRSJOPR-UHFFFAOYSA-N 1 0 317.452 4.036 20 30 DIEDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)CC2 ZINC000090665661 1039810602 /nfs/dbraw/zinc/81/06/02/1039810602.db2.gz WCBDGUMPLXKJKU-CTNGQTDRSA-N 1 0 320.436 4.187 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000091507063 1039855398 /nfs/dbraw/zinc/85/53/98/1039855398.db2.gz MIUGQZPFRDFNSQ-INIZCTEOSA-N 1 0 300.446 4.082 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1O ZINC000271852881 1039856238 /nfs/dbraw/zinc/85/62/38/1039856238.db2.gz UDCCVBKSWRBHRX-UHFFFAOYSA-N 1 0 312.800 4.005 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000564760946 1039857577 /nfs/dbraw/zinc/85/75/77/1039857577.db2.gz MLGHBSFDYDGXOW-CZUORRHYSA-N 1 0 317.379 4.219 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccc(Cl)cc3)CCC2)o1 ZINC000491578655 1039861832 /nfs/dbraw/zinc/86/18/32/1039861832.db2.gz IVBXFETVNRNGIM-UHFFFAOYSA-N 1 0 300.789 4.060 20 30 DIEDRO CC(C)c1nc(CC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000271955849 1039923914 /nfs/dbraw/zinc/92/39/14/1039923914.db2.gz PWLKQWUTWGPDRA-GFCCVEGCSA-N 1 0 317.433 4.171 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271966561 1039941269 /nfs/dbraw/zinc/94/12/69/1039941269.db2.gz VOZRDIWYZKJJHY-HNNXBMFYSA-N 1 0 323.415 4.148 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000271978941 1039944083 /nfs/dbraw/zinc/94/40/83/1039944083.db2.gz WNGZUPLFHQUEGT-KSSFIOAISA-N 1 0 311.404 4.449 20 30 DIEDRO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(C(F)(F)F)c1 ZINC001143455921 1039945417 /nfs/dbraw/zinc/94/54/17/1039945417.db2.gz ZWYVBXAIODPOBO-DVSIDAKKSA-N 1 0 308.347 4.280 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)ccc1C#N ZINC000443959411 1039974992 /nfs/dbraw/zinc/97/49/92/1039974992.db2.gz FFPAHDQSZVJABZ-NRFANRHFSA-N 1 0 313.404 4.141 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H](Nc2ccccc2)C(C)C)ccc1C#N ZINC000443984198 1039993404 /nfs/dbraw/zinc/99/34/04/1039993404.db2.gz HZCGQNXSWVIONB-FQEVSTJZSA-N 1 0 307.441 4.093 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443986768 1039996875 /nfs/dbraw/zinc/99/68/75/1039996875.db2.gz WLCVVFLVMVSOSE-LEWJYISDSA-N 1 0 320.436 4.185 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)ccc1C#N ZINC000443997791 1040008541 /nfs/dbraw/zinc/00/85/41/1040008541.db2.gz RQLIEFFNUWVJEE-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000728593896 1040013643 /nfs/dbraw/zinc/01/36/43/1040013643.db2.gz JNLLFIPPNWBZCC-VQTJNVASSA-N 1 0 313.489 4.341 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000657889011 1040032524 /nfs/dbraw/zinc/03/25/24/1040032524.db2.gz OZOMJBNBNDEHQH-QWRGUYRKSA-N 1 0 304.381 4.386 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CCCSCC#N ZINC000175438337 1040033451 /nfs/dbraw/zinc/03/34/51/1040033451.db2.gz VJQLJSCXKQKZDB-UONOGXRCSA-N 1 0 310.894 4.411 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177313504 1040118143 /nfs/dbraw/zinc/11/81/43/1040118143.db2.gz SZKHHRSZQOWYNU-NRFANRHFSA-N 1 0 324.443 4.155 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(C)cc1-c1ccnn1C)c1ccccc1 ZINC000669991616 1040135416 /nfs/dbraw/zinc/13/54/16/1040135416.db2.gz GVVWDABQYQEDAB-UHFFFAOYSA-N 1 0 317.436 4.199 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000177905698 1040144904 /nfs/dbraw/zinc/14/49/04/1040144904.db2.gz ZYNNOOMQNLETLX-LBPRGKRZSA-N 1 0 313.272 4.294 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000657928882 1040186742 /nfs/dbraw/zinc/18/67/42/1040186742.db2.gz WBVZFEWLESRNTR-GOEBONIOSA-N 1 0 313.470 4.430 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H](COC)CC1CCOCC1)c1ccccc1 ZINC000657931785 1040189838 /nfs/dbraw/zinc/18/98/38/1040189838.db2.gz SODVPIATIHGULS-VQTJNVASSA-N 1 0 317.473 4.115 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000658058571 1040281179 /nfs/dbraw/zinc/28/11/79/1040281179.db2.gz CLJTXNZXIOVCQK-YJLNNSPDSA-N 1 0 300.446 4.431 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000658060955 1040283040 /nfs/dbraw/zinc/28/30/40/1040283040.db2.gz QZTJLMJIYOSCEI-XDNAFOTISA-N 1 0 301.478 4.171 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000658061426 1040283869 /nfs/dbraw/zinc/28/38/69/1040283869.db2.gz TWEPLQDKZHQUBA-QGPMSJSTSA-N 1 0 312.461 4.132 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)CCC2 ZINC000179361312 1040396618 /nfs/dbraw/zinc/39/66/18/1040396618.db2.gz WBUYLDYQYAUNQG-KKSFZXQISA-N 1 0 320.436 4.453 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H]1CC=CCC1 ZINC000612144816 1040451768 /nfs/dbraw/zinc/45/17/68/1040451768.db2.gz TZZDAVJFXLUKEJ-ZDUSSCGKSA-N 1 0 319.246 4.109 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179666978 1040521221 /nfs/dbraw/zinc/52/12/21/1040521221.db2.gz YZDBECVFZBLSCM-HNNXBMFYSA-N 1 0 324.424 4.205 20 30 DIEDRO CC[C@H](C)[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000179695176 1040527162 /nfs/dbraw/zinc/52/71/62/1040527162.db2.gz NJNCIGJJGFRZIG-INIZCTEOSA-N 1 0 318.424 4.007 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278789633 1040552631 /nfs/dbraw/zinc/55/26/31/1040552631.db2.gz QHJDYEKTQTZHHZ-YSSFQJQWSA-N 1 0 308.425 4.111 20 30 DIEDRO Cc1cnc(CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 ZINC000364691164 1040555307 /nfs/dbraw/zinc/55/53/07/1040555307.db2.gz QSKLYRMYGIAGGA-OAHLLOKOSA-N 1 0 317.392 4.373 20 30 DIEDRO N#Cc1cccc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000364738258 1040561283 /nfs/dbraw/zinc/56/12/83/1040561283.db2.gz HZZYPNBKAOVFMW-IBGZPJMESA-N 1 0 320.440 4.037 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000236713054 1040653381 /nfs/dbraw/zinc/65/33/81/1040653381.db2.gz QQCVCBCCIOXDSD-QGZVFWFLSA-N 1 0 302.418 4.116 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccncc1 ZINC000356195368 1040814247 /nfs/dbraw/zinc/81/42/47/1040814247.db2.gz QQINHRIDKWWKJD-INIZCTEOSA-N 1 0 319.330 4.213 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000613255224 1040844247 /nfs/dbraw/zinc/84/42/47/1040844247.db2.gz KNMPNKASWUNUQA-LDQXTDLNSA-N 1 0 320.436 4.457 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000581912119 1040897021 /nfs/dbraw/zinc/89/70/21/1040897021.db2.gz XTPUZLLNSINIOU-LJQANCHMSA-N 1 0 322.456 4.324 20 30 DIEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000581912118 1040897616 /nfs/dbraw/zinc/89/76/16/1040897616.db2.gz XTPUZLLNSINIOU-IBGZPJMESA-N 1 0 322.456 4.324 20 30 DIEDRO CCCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1OC ZINC000414160067 1040935723 /nfs/dbraw/zinc/93/57/23/1040935723.db2.gz CFDILMIXSJPQPU-OAHLLOKOSA-N 1 0 318.461 4.465 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000414166051 1040945640 /nfs/dbraw/zinc/94/56/40/1040945640.db2.gz NAQKNWVRZKNSQL-HNNXBMFYSA-N 1 0 321.262 4.430 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C1 ZINC000414232118 1041034084 /nfs/dbraw/zinc/03/40/84/1041034084.db2.gz HXDRKBMILYXOMD-KGLIPLIRSA-N 1 0 304.384 4.058 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccc(F)c(C#N)c3)C2)c1 ZINC000452025390 1041042691 /nfs/dbraw/zinc/04/26/91/1041042691.db2.gz ZUEHKSJMKKDGEP-SAABIXHNSA-N 1 0 324.399 4.084 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc(OC(F)(F)F)c1 ZINC001143468072 1041045316 /nfs/dbraw/zinc/04/53/16/1041045316.db2.gz AVHMLMSLKUKTOC-ZDUSSCGKSA-N 1 0 312.335 4.019 20 30 DIEDRO N#Cc1cnccc1C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000828123296 1041072795 /nfs/dbraw/zinc/07/27/95/1041072795.db2.gz UKFQMRDITCNPRB-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000414310659 1041108061 /nfs/dbraw/zinc/10/80/61/1041108061.db2.gz WXKYBXVRRXNDEV-CRAIPNDOSA-N 1 0 311.425 4.239 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000180549759 1041169474 /nfs/dbraw/zinc/16/94/74/1041169474.db2.gz XCOFUGQBUOXDET-TZIWHRDSSA-N 1 0 320.436 4.090 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)cc1 ZINC000809573700 1041190680 /nfs/dbraw/zinc/19/06/80/1041190680.db2.gz VQNPGMMJTYKSNF-UHFFFAOYSA-N 1 0 311.469 4.228 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)cc1 ZINC000809611190 1041195414 /nfs/dbraw/zinc/19/54/14/1041195414.db2.gz VHGLTJOELHCZMZ-UHFFFAOYSA-N 1 0 312.825 4.221 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@@H](C)CC(C)C)ccc1OC ZINC000809619866 1041197270 /nfs/dbraw/zinc/19/72/70/1041197270.db2.gz ZVLIKJLKYIVBJB-RDJZCZTQSA-N 1 0 318.461 4.148 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CC1(OC)CCC1)c1ccc(Cl)cc1F ZINC000809699873 1041217814 /nfs/dbraw/zinc/21/78/14/1041217814.db2.gz UBWJJDYFRNHUQN-LRDDRELGSA-N 1 0 309.812 4.091 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CCC(F)(F)F)c1ccc(Cl)cc1F ZINC000809698395 1041219820 /nfs/dbraw/zinc/21/98/20/1041219820.db2.gz BGRKAMQLEMHDAS-ZANVPECISA-N 1 0 307.718 4.474 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809756050 1041248541 /nfs/dbraw/zinc/24/85/41/1041248541.db2.gz ULFAROCGFFWDQK-ABAIWWIYSA-N 1 0 302.245 4.361 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C)C(C)(C)C ZINC000809781205 1041253379 /nfs/dbraw/zinc/25/33/79/1041253379.db2.gz JFPPOODMUAFYBI-CRAIPNDOSA-N 1 0 314.473 4.165 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000809781967 1041254008 /nfs/dbraw/zinc/25/40/08/1041254008.db2.gz FPHTWJNCXGTGJV-UHFFFAOYSA-N 1 0 307.384 4.098 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl)C(C)(C)C ZINC000809781221 1041254668 /nfs/dbraw/zinc/25/46/68/1041254668.db2.gz JPTXRKSHSPYFFR-CZUORRHYSA-N 1 0 320.864 4.003 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000809793780 1041258103 /nfs/dbraw/zinc/25/81/03/1041258103.db2.gz NIIORKFLKCMXHK-CQSZACIVSA-N 1 0 308.432 4.352 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181304044 1041263170 /nfs/dbraw/zinc/26/31/70/1041263170.db2.gz ZVVQSNFVUUFCAL-HNNXBMFYSA-N 1 0 304.434 4.264 20 30 DIEDRO C[C@H](Nc1ccc([C@@H]2CCC[NH2+]C2)cc1)c1cccc(C#N)c1 ZINC001167709532 1041304868 /nfs/dbraw/zinc/30/48/68/1041304868.db2.gz QBOFNHOUWINUQI-HNAYVOBHSA-N 1 0 305.425 4.198 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc3sccc3c2)cc1 ZINC000810160022 1041327776 /nfs/dbraw/zinc/32/77/76/1041327776.db2.gz QXWGTVBRZRZXTI-AWEZNQCLSA-N 1 0 322.433 4.482 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000810212522 1041337249 /nfs/dbraw/zinc/33/72/49/1041337249.db2.gz SPZWDJISHCTWOW-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO CC[C@H]([NH2+]CCCCC#N)c1ccc(C(F)(F)F)cc1O ZINC000810216170 1041338367 /nfs/dbraw/zinc/33/83/67/1041338367.db2.gz ROAHIURJLUQQBQ-ZDUSSCGKSA-N 1 0 300.324 4.146 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000810225853 1041341770 /nfs/dbraw/zinc/34/17/70/1041341770.db2.gz OLXKSGRLKKLKIK-MRXNPFEDSA-N 1 0 316.404 4.098 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000810259685 1041350062 /nfs/dbraw/zinc/35/00/62/1041350062.db2.gz PKMLNJNSXKGRCO-KDOFPFPSSA-N 1 0 323.864 4.020 20 30 DIEDRO CCC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H](O)c1ccccc1 ZINC000810236962 1041353796 /nfs/dbraw/zinc/35/37/96/1041353796.db2.gz CIUSNYDFGRVKBA-PCCBWWKXSA-N 1 0 320.436 4.037 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001203208268 1041368651 /nfs/dbraw/zinc/36/86/51/1041368651.db2.gz QADMTZQHZLHTMD-FFSVYQOJSA-N 1 0 314.256 4.361 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)c(Br)c1 ZINC000480718509 1041381129 /nfs/dbraw/zinc/38/11/29/1041381129.db2.gz PXPVHBLIYVCRIA-INIZCTEOSA-N 1 0 319.246 4.085 20 30 DIEDRO N#CCCCC[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC000892928945 1041422624 /nfs/dbraw/zinc/42/26/24/1041422624.db2.gz CVZCFFHBAOQLGR-UHFFFAOYSA-N 1 0 319.605 4.025 20 30 DIEDRO COc1cc(C[N@H+](C)CCCC#N)ccc1OCc1ccccc1 ZINC000053150076 1041430490 /nfs/dbraw/zinc/43/04/90/1041430490.db2.gz NMMDEDZAIXQZNP-UHFFFAOYSA-N 1 0 324.424 4.010 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000314434938 1041464913 /nfs/dbraw/zinc/46/49/13/1041464913.db2.gz JUOIVTPGCGFLOQ-UHFFFAOYSA-N 1 0 301.459 4.431 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C[NH3+])CCCC ZINC000415586857 1041467445 /nfs/dbraw/zinc/46/74/45/1041467445.db2.gz WBQVQBIEBKSIFJ-MRXNPFEDSA-N 1 0 317.477 4.178 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)c2cccc(F)c2)cc1 ZINC000728711498 1041470967 /nfs/dbraw/zinc/47/09/67/1041470967.db2.gz BDQPSXAVPVGGMR-LSDHHAIUSA-N 1 0 312.388 4.010 20 30 DIEDRO C[Si](C)(C[NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC001170623025 1041473100 /nfs/dbraw/zinc/47/31/00/1041473100.db2.gz IJZHRQOHIJYEHH-HXUWFJFHSA-N 1 0 322.528 4.166 20 30 DIEDRO C[Si](C)(C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC001170623024 1041473312 /nfs/dbraw/zinc/47/33/12/1041473312.db2.gz IJZHRQOHIJYEHH-FQEVSTJZSA-N 1 0 322.528 4.166 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728713138 1041478218 /nfs/dbraw/zinc/47/82/18/1041478218.db2.gz MHOLSCOABLLYOE-HZPDHXFCSA-N 1 0 324.424 4.227 20 30 DIEDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000365733793 1041494515 /nfs/dbraw/zinc/49/45/15/1041494515.db2.gz JBAKIPVQQMZRMB-HKBOAZHASA-N 1 0 320.436 4.377 20 30 DIEDRO C=CC[C@@H]1N(C(=O)Nc2cccc(C[NH2+]C)c2)CCCC1(C)C ZINC000415964773 1041510355 /nfs/dbraw/zinc/51/03/55/1041510355.db2.gz TVVDQGSBTIBGKQ-KRWDZBQOSA-N 1 0 315.461 4.005 20 30 DIEDRO C=CCC[C@H](NC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000415982401 1041511482 /nfs/dbraw/zinc/51/14/82/1041511482.db2.gz LBUCOPGPKJVZQM-IBGZPJMESA-N 1 0 323.440 4.235 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001170637802 1041538728 /nfs/dbraw/zinc/53/87/28/1041538728.db2.gz CXDDQXWRARFMAZ-LZJOCLMNSA-N 1 0 320.436 4.355 20 30 DIEDRO CCCC[NH+](CCCC)CCNc1ccc(OC)cc1CC#N ZINC001167732960 1041541776 /nfs/dbraw/zinc/54/17/76/1041541776.db2.gz KINCKTINICNEIN-UHFFFAOYSA-N 1 0 317.477 4.075 20 30 DIEDRO CCCC[NH+](CCCC)CCNc1cccc(F)c1CC#N ZINC001167734487 1041547637 /nfs/dbraw/zinc/54/76/37/1041547637.db2.gz HJDUROWFMMYJNP-UHFFFAOYSA-N 1 0 305.441 4.206 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001170650702 1041584602 /nfs/dbraw/zinc/58/46/02/1041584602.db2.gz PPZNYIPKZOQUME-ZRGWGRIASA-N 1 0 308.400 4.464 20 30 DIEDRO C(#CC1CC[NH+](Cc2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC001204046877 1041616488 /nfs/dbraw/zinc/61/64/88/1041616488.db2.gz XSHRYODYWJOXBC-UHFFFAOYSA-N 1 0 314.432 4.432 20 30 DIEDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185824001 1041621856 /nfs/dbraw/zinc/62/18/56/1041621856.db2.gz ZFOWPWZUXUYWTA-RTBURBONSA-N 1 0 311.473 4.095 20 30 DIEDRO C=Cc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000812734665 1041642244 /nfs/dbraw/zinc/64/22/44/1041642244.db2.gz PXYWGVJPPGSZTB-INIZCTEOSA-N 1 0 306.409 4.125 20 30 DIEDRO C=CCCCCC[C@@H](C)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000812778826 1041647214 /nfs/dbraw/zinc/64/72/14/1041647214.db2.gz PHYXAECRIJSGLK-XLIONFOSSA-N 1 0 316.489 4.190 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CCSCC1 ZINC000417372005 1041667101 /nfs/dbraw/zinc/66/71/01/1041667101.db2.gz VJIPSJILMKPMBW-ACJLOTCBSA-N 1 0 300.471 4.057 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000417376850 1041667498 /nfs/dbraw/zinc/66/74/98/1041667498.db2.gz CLBLKIZPISMVPT-NHCUHLMSSA-N 1 0 318.420 4.221 20 30 DIEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000728777081 1041683588 /nfs/dbraw/zinc/68/35/88/1041683588.db2.gz YJDQXIGIPXKJLG-MOPGFXCFSA-N 1 0 313.489 4.341 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000747867048 1041726263 /nfs/dbraw/zinc/72/62/63/1041726263.db2.gz NJJUCHQJHUXJPM-JKSUJKDBSA-N 1 0 313.363 4.073 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000747867045 1041727006 /nfs/dbraw/zinc/72/70/06/1041727006.db2.gz NJJUCHQJHUXJPM-HZPDHXFCSA-N 1 0 313.363 4.073 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1=Cc2ccccc2OC1 ZINC000418140758 1041730750 /nfs/dbraw/zinc/73/07/50/1041730750.db2.gz FSGPWOSRMZBTJH-HXUWFJFHSA-N 1 0 316.404 4.001 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000418145158 1041730952 /nfs/dbraw/zinc/73/09/52/1041730952.db2.gz MCCUUJJHZDTDBT-IBGZPJMESA-N 1 0 319.383 4.346 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)c2ccccc2F)cc1 ZINC000813792695 1041732865 /nfs/dbraw/zinc/73/28/65/1041732865.db2.gz VAWBXPFEQKFBPS-UHFFFAOYSA-N 1 0 311.400 4.253 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000813879957 1041742730 /nfs/dbraw/zinc/74/27/30/1041742730.db2.gz TWJFPHAGXMOHQJ-CVEARBPZSA-N 1 0 322.493 4.110 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(-c3ccccn3)c2)c1 ZINC000747908489 1041778987 /nfs/dbraw/zinc/77/89/87/1041778987.db2.gz ACBNNNGGXZLCNV-UHFFFAOYSA-N 1 0 317.367 4.049 20 30 DIEDRO CCCCCCCCC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000814162186 1041782078 /nfs/dbraw/zinc/78/20/78/1041782078.db2.gz QMZIZQRFECSFBT-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO C[N@H+](Cc1ccccc1)C1CCC(=NOCCC2CC2)CC1 ZINC000814245188 1041796963 /nfs/dbraw/zinc/79/69/63/1041796963.db2.gz KZGRVPOHRMHXBM-UHFFFAOYSA-N 1 0 300.446 4.234 20 30 DIEDRO COc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1C#N ZINC000814305293 1041804507 /nfs/dbraw/zinc/80/45/07/1041804507.db2.gz ZISLPSSQGNKPQF-LJQANCHMSA-N 1 0 319.408 4.092 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccccc1 ZINC000814304806 1041808327 /nfs/dbraw/zinc/80/83/27/1041808327.db2.gz RQHKGWDLIIPWRX-HXUWFJFHSA-N 1 0 306.409 4.242 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CCC1 ZINC001167765563 1041816270 /nfs/dbraw/zinc/81/62/70/1041816270.db2.gz GAPMHZWNDWHZKD-LJQANCHMSA-N 1 0 311.473 4.427 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(SC)c1 ZINC000660539582 1041829864 /nfs/dbraw/zinc/82/98/64/1041829864.db2.gz VBNKLCINRJYIQH-UHFFFAOYSA-N 1 0 317.454 4.072 20 30 DIEDRO CC(=NN=c1[nH]c2ccccc2s1)c1ccc(C[NH+](C)C)cc1 ZINC000814685258 1041848897 /nfs/dbraw/zinc/84/88/97/1041848897.db2.gz OTMBRQOGTNOXDT-UHFFFAOYSA-N 1 0 324.453 4.194 20 30 DIEDRO CC(=NNc1cccc(Cl)c1)c1cccc(C[NH+](C)C)c1 ZINC000814693235 1041854599 /nfs/dbraw/zinc/85/45/99/1041854599.db2.gz CXROTFQHQDKVCY-UHFFFAOYSA-N 1 0 301.821 4.238 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000651670449 1041873904 /nfs/dbraw/zinc/87/39/04/1041873904.db2.gz JLEMCYKPTOUITJ-QAPCUYQASA-N 1 0 324.424 4.366 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000651707404 1041886825 /nfs/dbraw/zinc/88/68/25/1041886825.db2.gz LACGJLMFXZDNNE-RHSMWYFYSA-N 1 0 314.404 4.358 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000661115401 1041888956 /nfs/dbraw/zinc/88/89/56/1041888956.db2.gz BUXFTFVLYWHHBY-WBVHZDCISA-N 1 0 311.429 4.004 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(-c2ccccc2)cc1 ZINC000190675577 1041891203 /nfs/dbraw/zinc/89/12/03/1041891203.db2.gz IOPJAENKRCYNQU-INIZCTEOSA-N 1 0 315.420 4.415 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000651720854 1041892324 /nfs/dbraw/zinc/89/23/24/1041892324.db2.gz MAIUZNRYPONRNZ-ZBFHGGJFSA-N 1 0 313.470 4.082 20 30 DIEDRO CC(N=Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000814913823 1041892630 /nfs/dbraw/zinc/89/26/30/1041892630.db2.gz WDLCEMUTWSBSQC-UHFFFAOYSA-N 1 0 300.233 4.123 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000651718893 1041892701 /nfs/dbraw/zinc/89/27/01/1041892701.db2.gz CDTGMQFIAITAHJ-VXNCWWDNSA-N 1 0 318.530 4.465 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000815142707 1041925302 /nfs/dbraw/zinc/92/53/02/1041925302.db2.gz XUXWUUITZSBHAR-UHFFFAOYSA-N 1 0 319.449 4.121 20 30 DIEDRO COc1ccc(C[NH2+]CCc2cc3ccccc3s2)cc1C#N ZINC000815148583 1041927250 /nfs/dbraw/zinc/92/72/50/1041927250.db2.gz ALLFPTFHXGAEBU-UHFFFAOYSA-N 1 0 322.433 4.114 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000661381018 1041928225 /nfs/dbraw/zinc/92/82/25/1041928225.db2.gz SXRLDILULXFKRQ-WBVHZDCISA-N 1 0 311.429 4.010 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815201361 1041933311 /nfs/dbraw/zinc/93/33/11/1041933311.db2.gz LHRQXWOKKOQRGY-SJORKVTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC(F)(F)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000815342485 1041947712 /nfs/dbraw/zinc/94/77/12/1041947712.db2.gz WJEXIHIJOAVMHK-UHFFFAOYSA-N 1 0 322.399 4.198 20 30 DIEDRO C=CCCCCCN1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661537609 1041950150 /nfs/dbraw/zinc/95/01/50/1041950150.db2.gz VWRUARDTIMHYQS-CYBMUJFWSA-N 1 0 313.367 4.379 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](CC)c1ccc(C(=O)OC)cc1)c1ccncc1 ZINC000815580822 1041965607 /nfs/dbraw/zinc/96/56/07/1041965607.db2.gz RKHSQTXQLRTYSV-RTBURBONSA-N 1 0 324.424 4.226 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815578879 1041966131 /nfs/dbraw/zinc/96/61/31/1041966131.db2.gz ZMUJIMGAYCNYKM-MRXNPFEDSA-N 1 0 311.425 4.425 20 30 DIEDRO C=C(Cl)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815593942 1041969579 /nfs/dbraw/zinc/96/95/79/1041969579.db2.gz BOIOGWPGDMBYCS-QGZVFWFLSA-N 1 0 301.817 4.408 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652196323 1041975055 /nfs/dbraw/zinc/97/50/55/1041975055.db2.gz PBBNKBPCJOWGTB-HUUCEWRRSA-N 1 0 307.434 4.108 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000815636818 1041981559 /nfs/dbraw/zinc/98/15/59/1041981559.db2.gz CTWAIISIRFBCBT-HNNXBMFYSA-N 1 0 300.446 4.066 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815634804 1041981924 /nfs/dbraw/zinc/98/19/24/1041981924.db2.gz QSHIVSSSCPOVSQ-XHSDSOJGSA-N 1 0 316.445 4.285 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815636128 1041982186 /nfs/dbraw/zinc/98/21/86/1041982186.db2.gz PKEBEFJDMGEVJF-NVXWUHKLSA-N 1 0 316.445 4.429 20 30 DIEDRO C=CC[N@@H+](CCCC(=O)Nc1c(C)cccc1C)C(C)(C)C ZINC000661755518 1041990506 /nfs/dbraw/zinc/99/05/06/1041990506.db2.gz SJBHVZWGUCLJBL-UHFFFAOYSA-N 1 0 302.462 4.309 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000596981168 1041998779 /nfs/dbraw/zinc/99/87/79/1041998779.db2.gz IXBKQLBBSRIJND-IBGZPJMESA-N 1 0 302.421 4.231 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCOc2ccccc2)cc1 ZINC001170812010 1042026538 /nfs/dbraw/zinc/02/65/38/1042026538.db2.gz NSSQHNADMRKYMK-FQEVSTJZSA-N 1 0 308.425 4.458 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccccc2c1O ZINC000816485355 1042055901 /nfs/dbraw/zinc/05/59/01/1042055901.db2.gz JRTOHPGYNHSDQI-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[N@H+](CCC#N)CC(C)C ZINC000816481186 1042056644 /nfs/dbraw/zinc/05/66/44/1042056644.db2.gz LWEIOAOZQLCIAB-ATVHPVEESA-N 1 0 300.446 4.108 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000662083773 1042059387 /nfs/dbraw/zinc/05/93/87/1042059387.db2.gz KCGGBXYIQDZABC-BGYRXZFFSA-N 1 0 320.436 4.344 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2c(F)cccc2F)n1 ZINC000662088015 1042060322 /nfs/dbraw/zinc/06/03/22/1042060322.db2.gz SVUUPDXGDKWTPM-OKILXGFUSA-N 1 0 316.351 4.303 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816607934 1042072007 /nfs/dbraw/zinc/07/20/07/1042072007.db2.gz JYNISBUKKDHPNP-UHFFFAOYSA-N 1 0 319.404 4.400 20 30 DIEDRO Cc1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c(Cl)cc1F ZINC001159662240 1042113208 /nfs/dbraw/zinc/11/32/08/1042113208.db2.gz SWCDHRXTJWBRCN-UHFFFAOYSA-N 1 0 315.779 4.090 20 30 DIEDRO C#CCC[NH2+]C(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000830395032 1042129317 /nfs/dbraw/zinc/12/93/17/1042129317.db2.gz DAKZLISDXIQRND-UHFFFAOYSA-N 1 0 302.418 4.106 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602894279 1042133193 /nfs/dbraw/zinc/13/31/93/1042133193.db2.gz JVLPLTLVQZLFQQ-UHFFFAOYSA-N 1 0 324.472 4.155 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)cc1 ZINC000817968916 1042133810 /nfs/dbraw/zinc/13/38/10/1042133810.db2.gz YUTQEXKOGGZDGY-BTYIYWSLSA-N 1 0 320.436 4.009 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1 ZINC000817968919 1042135138 /nfs/dbraw/zinc/13/51/38/1042135138.db2.gz YUTQEXKOGGZDGY-YCRPNKLZSA-N 1 0 320.436 4.009 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1O ZINC000818355458 1042150852 /nfs/dbraw/zinc/15/08/52/1042150852.db2.gz FZTWJVHOKFJHKZ-ZKYQVNSYSA-N 1 0 312.335 4.144 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000818356605 1042151040 /nfs/dbraw/zinc/15/10/40/1042151040.db2.gz OMVXQSDKYQFCFZ-YQQAZPJKSA-N 1 0 315.436 4.159 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001136177329 1042164856 /nfs/dbraw/zinc/16/48/56/1042164856.db2.gz HOLBCYVKPCRKHJ-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000819210738 1042175202 /nfs/dbraw/zinc/17/52/02/1042175202.db2.gz JLSQSMDFWYQSQK-DOMZBBRYSA-N 1 0 301.352 4.073 20 30 DIEDRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000819330394 1042178621 /nfs/dbraw/zinc/17/86/21/1042178621.db2.gz POYSCHJFLBPLEQ-SFTDATJTSA-N 1 0 322.452 4.362 20 30 DIEDRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000819330393 1042178718 /nfs/dbraw/zinc/17/87/18/1042178718.db2.gz POYSCHJFLBPLEQ-RTWAWAEBSA-N 1 0 322.452 4.362 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170935070 1042192488 /nfs/dbraw/zinc/19/24/88/1042192488.db2.gz GKBQEWGQYBJTBF-QGZVFWFLSA-N 1 0 310.828 4.201 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000319677226 1042204096 /nfs/dbraw/zinc/20/40/96/1042204096.db2.gz ABSLKZGAXSDQLZ-GJZGRUSLSA-N 1 0 310.397 4.009 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1Cl ZINC000585726578 1042237724 /nfs/dbraw/zinc/23/77/24/1042237724.db2.gz UUNYJYVHLHWWQJ-SFHVURJKSA-N 1 0 312.800 4.084 20 30 DIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2sccc2Cl)c1 ZINC000821017059 1042238149 /nfs/dbraw/zinc/23/81/49/1042238149.db2.gz BNDIPBKEFOATJI-VOTSOKGWSA-N 1 0 305.830 4.359 20 30 DIEDRO Cc1ccccc1[C@H](C)[N@@H+](Cc1ccnc(C#N)c1)CC(C)C ZINC000585754780 1042242752 /nfs/dbraw/zinc/24/27/52/1042242752.db2.gz KFRBDCFYHHMDQC-KRWDZBQOSA-N 1 0 307.441 4.481 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc2ccc(F)c(F)c2n1)c1ccccc1 ZINC000821219557 1042246063 /nfs/dbraw/zinc/24/60/63/1042246063.db2.gz JFMTVAWHXJRYBD-GOSISDBHSA-N 1 0 322.358 4.367 20 30 DIEDRO C=CCCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000605150430 1042256684 /nfs/dbraw/zinc/25/66/84/1042256684.db2.gz ZMGLVFRHFDJMNC-UHFFFAOYSA-N 1 0 302.393 4.311 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000772858331 1042274911 /nfs/dbraw/zinc/27/49/11/1042274911.db2.gz QHBOBNOIGIZWFQ-RTBURBONSA-N 1 0 317.379 4.295 20 30 DIEDRO CCCCCCCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000822308521 1042281727 /nfs/dbraw/zinc/28/17/27/1042281727.db2.gz PMZSFPVDHABZAX-UHFFFAOYSA-N 1 0 316.489 4.373 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000822525429 1042288525 /nfs/dbraw/zinc/28/85/25/1042288525.db2.gz GQODFAGBKFWFMB-HZPDHXFCSA-N 1 0 319.408 4.042 20 30 DIEDRO C=CC[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1cccc(C#N)c1 ZINC000822593140 1042294816 /nfs/dbraw/zinc/29/48/16/1042294816.db2.gz SFBHONBFJZHQNP-HNNXBMFYSA-N 1 0 309.240 4.130 20 30 DIEDRO Cc1cc(C[N@H+](CCC#N)CC2CC2)c(O)c(C(C)(C)C)c1 ZINC000728904476 1042311309 /nfs/dbraw/zinc/31/13/09/1042311309.db2.gz IOVIPWZQPAHMNW-UHFFFAOYSA-N 1 0 300.446 4.124 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1F ZINC000150883770 1042316489 /nfs/dbraw/zinc/31/64/89/1042316489.db2.gz RJJTWIRAVTXOKP-INIZCTEOSA-N 1 0 306.381 4.385 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000436302966 1042326035 /nfs/dbraw/zinc/32/60/35/1042326035.db2.gz BEPCXEQWOFPFHQ-MAZHCROVSA-N 1 0 323.889 4.448 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001171019352 1042329584 /nfs/dbraw/zinc/32/95/84/1042329584.db2.gz VIAPMLZYUCRIQJ-WOJBJXKFSA-N 1 0 320.436 4.335 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000320239838 1042332792 /nfs/dbraw/zinc/33/27/92/1042332792.db2.gz WHOUOJIHIOGNFP-MRXNPFEDSA-N 1 0 311.425 4.419 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000320239836 1042332843 /nfs/dbraw/zinc/33/28/43/1042332843.db2.gz WHOUOJIHIOGNFP-INIZCTEOSA-N 1 0 311.425 4.419 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000823573942 1042333528 /nfs/dbraw/zinc/33/35/28/1042333528.db2.gz SONAZNTXUFQWNP-KRWDZBQOSA-N 1 0 314.473 4.147 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(OC)ccc2C1)c1ccc(C#N)cc1 ZINC000618575635 1042334267 /nfs/dbraw/zinc/33/42/67/1042334267.db2.gz USROKWQGTUXUSN-CTNGQTDRSA-N 1 0 320.436 4.165 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)N(C)Cc1nc(Cl)ccc1Cl ZINC000823618156 1042335123 /nfs/dbraw/zinc/33/51/23/1042335123.db2.gz OITFBZBOUWYFBN-NSHDSACASA-N 1 0 320.223 4.453 20 30 DIEDRO CC1(C)C[C@H](c2ccccc2)[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000823643772 1042336622 /nfs/dbraw/zinc/33/66/22/1042336622.db2.gz RUTFNAVZMPLZCW-UXHICEINSA-N 1 0 320.436 4.065 20 30 DIEDRO COc1ccc2cc(C[N@H+](C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000015370237 1042373113 /nfs/dbraw/zinc/37/31/13/1042373113.db2.gz WAVRQHRGZKUCMT-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000467418608 1042411631 /nfs/dbraw/zinc/41/16/31/1042411631.db2.gz NYFJFRBZYPMHRJ-SWLSCSKDSA-N 1 0 318.852 4.234 20 30 DIEDRO C/C(=C\c1ccccc1)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573645146 1042412058 /nfs/dbraw/zinc/41/20/58/1042412058.db2.gz DBBMNRRYRGFCQQ-NBVRZTHBSA-N 1 0 320.436 4.110 20 30 DIEDRO C[C@H]1C[C@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000047045210 1042416477 /nfs/dbraw/zinc/41/64/77/1042416477.db2.gz NIZVGFFUNURTSI-KKSFZXQISA-N 1 0 315.420 4.088 20 30 DIEDRO CCc1cnc(CN(C)Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000614168908 1042419986 /nfs/dbraw/zinc/41/99/86/1042419986.db2.gz GCWBKXIPCGKNAF-UHFFFAOYSA-N 1 0 313.470 4.139 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000614171347 1042421370 /nfs/dbraw/zinc/42/13/70/1042421370.db2.gz LETNWMNWNYACCC-IBGZPJMESA-N 1 0 305.425 4.220 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000614170624 1042421405 /nfs/dbraw/zinc/42/14/05/1042421405.db2.gz BGVZJSWAJQLJSJ-SFHVURJKSA-N 1 0 312.800 4.254 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)OCO2 ZINC000614179216 1042422447 /nfs/dbraw/zinc/42/24/47/1042422447.db2.gz JSYYEIPIVUESNA-AWEZNQCLSA-N 1 0 322.408 4.067 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(C#N)cc1 ZINC000614179922 1042423362 /nfs/dbraw/zinc/42/33/62/1042423362.db2.gz RYKBWSIHQXOJTF-HNNXBMFYSA-N 1 0 303.409 4.210 20 30 DIEDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000614184952 1042425124 /nfs/dbraw/zinc/42/51/24/1042425124.db2.gz DMKHWKMDBMNDNK-OAHLLOKOSA-N 1 0 310.445 4.116 20 30 DIEDRO N#CC1(CC[NH2+]C2(c3nccs3)CCCC2)CCCCC1 ZINC000411380815 1042442735 /nfs/dbraw/zinc/44/27/35/1042442735.db2.gz DBQCNLXBGRGZSX-UHFFFAOYSA-N 1 0 303.475 4.366 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](CC)c2ccccc2OCC)cc1 ZINC000237000507 1042451823 /nfs/dbraw/zinc/45/18/23/1042451823.db2.gz KQBKBKPTIJZUMG-FQEVSTJZSA-N 1 0 323.436 4.338 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000237022087 1042458373 /nfs/dbraw/zinc/45/83/73/1042458373.db2.gz CLYKIEDHYHQCET-SFHVURJKSA-N 1 0 319.408 4.139 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237031270 1042466076 /nfs/dbraw/zinc/46/60/76/1042466076.db2.gz WTKNVZHCRGLAOZ-FQEVSTJZSA-N 1 0 321.468 4.147 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000237031762 1042466792 /nfs/dbraw/zinc/46/67/92/1042466792.db2.gz GMANXEOCHCUUFF-APWZRJJASA-N 1 0 308.425 4.088 20 30 DIEDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)[C@@H](C)CO1 ZINC000614402252 1042491565 /nfs/dbraw/zinc/49/15/65/1042491565.db2.gz OHKICWLYEWOUBT-UWJYYQICSA-N 1 0 320.436 4.137 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000513090320 1042491855 /nfs/dbraw/zinc/49/18/55/1042491855.db2.gz TVXQUTONIFEHHD-UHFFFAOYSA-N 1 0 306.409 4.331 20 30 DIEDRO COc1cc(C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000389888813 1042496773 /nfs/dbraw/zinc/49/67/73/1042496773.db2.gz MXVLDTJJFJYFSI-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000729267319 1042517058 /nfs/dbraw/zinc/51/70/58/1042517058.db2.gz QZBPXWGROWEQSQ-HXUWFJFHSA-N 1 0 306.409 4.235 20 30 DIEDRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000729267122 1042517165 /nfs/dbraw/zinc/51/71/65/1042517165.db2.gz JTEIPULRUPXPNB-QGZVFWFLSA-N 1 0 312.438 4.160 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237105694 1042524770 /nfs/dbraw/zinc/52/47/70/1042524770.db2.gz HSZDPBZDUCUFSD-HNNXBMFYSA-N 1 0 324.424 4.011 20 30 DIEDRO Cc1ccc(-c2nc(CC[NH2+][C@H](C)CC(C)(C)C#N)co2)cc1 ZINC000924902529 1042541562 /nfs/dbraw/zinc/54/15/62/1042541562.db2.gz PMLRHKGGOGWNQD-OAHLLOKOSA-N 1 0 311.429 4.111 20 30 DIEDRO C=C1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000513479506 1042547000 /nfs/dbraw/zinc/54/70/00/1042547000.db2.gz NAODBTLTPSWVGE-UHFFFAOYSA-N 1 0 321.346 4.043 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000513511723 1042549504 /nfs/dbraw/zinc/54/95/04/1042549504.db2.gz KRTSOIYBXUMBDJ-VBKFSLOCSA-N 1 0 318.892 4.373 20 30 DIEDRO COc1ccc(Oc2ccc(C[NH2+]CC3(CC#N)CC3)cc2)cc1 ZINC000430020730 1042549620 /nfs/dbraw/zinc/54/96/20/1042549620.db2.gz ICEFKJZDFLLKJI-UHFFFAOYSA-N 1 0 322.408 4.271 20 30 DIEDRO COc1cc(C)c([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1C ZINC000614493342 1042554899 /nfs/dbraw/zinc/55/48/99/1042554899.db2.gz OISMSWRPSMQDTI-MRXNPFEDSA-N 1 0 308.425 4.377 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2cccc(Cl)c2Cl)cc1 ZINC000513608997 1042555341 /nfs/dbraw/zinc/55/53/41/1042555341.db2.gz OAXZJUZMTXJFJY-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000280720879 1042578399 /nfs/dbraw/zinc/57/83/99/1042578399.db2.gz FRZGMBBSICWOQJ-HBGVWJBISA-N 1 0 322.452 4.380 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc(OC)c1 ZINC000618803380 1042600118 /nfs/dbraw/zinc/60/01/18/1042600118.db2.gz IGEKELFMYCSTJE-WOJBJXKFSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000420935798 1042615539 /nfs/dbraw/zinc/61/55/39/1042615539.db2.gz YNOQROHAYACVMB-HZPDHXFCSA-N 1 0 322.493 4.149 20 30 DIEDRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCCCC(C)(C)C#N)C1 ZINC000421007537 1042619919 /nfs/dbraw/zinc/61/99/19/1042619919.db2.gz HNRFRMRTTUOFNT-JKSUJKDBSA-N 1 0 322.493 4.006 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420974993 1042620106 /nfs/dbraw/zinc/62/01/06/1042620106.db2.gz OXXBKULAMDFDOS-OAHLLOKOSA-N 1 0 321.262 4.150 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H](CC(F)F)c2ccccc2)cc1 ZINC000420999487 1042621260 /nfs/dbraw/zinc/62/12/60/1042621260.db2.gz VACOEHCELJDILJ-KRWDZBQOSA-N 1 0 300.352 4.239 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C#N)s1 ZINC000421348385 1042631749 /nfs/dbraw/zinc/63/17/49/1042631749.db2.gz FQUOAHYBWANPQQ-LLVKDONJSA-N 1 0 306.381 4.009 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)s1 ZINC000421348084 1042631760 /nfs/dbraw/zinc/63/17/60/1042631760.db2.gz DUVGPMJPGKYWIB-UHFFFAOYSA-N 1 0 302.830 4.309 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421371450 1042633589 /nfs/dbraw/zinc/63/35/89/1042633589.db2.gz XUOIQSWWPFJKBZ-PMACEKPBSA-N 1 0 324.399 4.016 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c2ccccc12 ZINC000237219759 1042638409 /nfs/dbraw/zinc/63/84/09/1042638409.db2.gz YWRFTVULVQJVMX-UHFFFAOYSA-N 1 0 320.367 4.149 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OC)cc1 ZINC000421884567 1042660856 /nfs/dbraw/zinc/66/08/56/1042660856.db2.gz QTHAFLACSDLVDX-QGZVFWFLSA-N 1 0 300.427 4.259 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc(C)ccc1OC ZINC000421881626 1042660916 /nfs/dbraw/zinc/66/09/16/1042660916.db2.gz PCJDGPBRUMRPFS-INIZCTEOSA-N 1 0 300.427 4.178 20 30 DIEDRO CC(C)c1ccc([C@@H](N)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000423244285 1042702003 /nfs/dbraw/zinc/70/20/03/1042702003.db2.gz NSNFXJXNRYFZBL-YWZLYKJASA-N 1 0 307.441 4.032 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000424172821 1042728233 /nfs/dbraw/zinc/72/82/33/1042728233.db2.gz MFXBXQJBVJUOKI-FZMZJTMJSA-N 1 0 319.754 4.040 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000424189903 1042729558 /nfs/dbraw/zinc/72/95/58/1042729558.db2.gz FFBQJLVQISGQSQ-TVQRCGJNSA-N 1 0 302.727 4.141 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)sc1Br ZINC000424206393 1042730120 /nfs/dbraw/zinc/73/01/20/1042730120.db2.gz WDYLDKCJXJFAEH-OUAUKWLOSA-N 1 0 313.264 4.162 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000424292487 1042731256 /nfs/dbraw/zinc/73/12/56/1042731256.db2.gz GWRUEOQVLHGZOB-HUBLWGQQSA-N 1 0 305.805 4.328 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000424290105 1042731444 /nfs/dbraw/zinc/73/14/44/1042731444.db2.gz BGCDZJFQBDXMNB-HPBDAGMYSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000424300673 1042732206 /nfs/dbraw/zinc/73/22/06/1042732206.db2.gz YLRXFYXRRNXLDU-QMMLZNLJSA-N 1 0 321.464 4.388 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000424324467 1042733480 /nfs/dbraw/zinc/73/34/80/1042733480.db2.gz KAMHTOJUNQFVEA-XZJROXQQSA-N 1 0 319.246 4.182 20 30 DIEDRO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424322248 1042733809 /nfs/dbraw/zinc/73/38/09/1042733809.db2.gz IFVFHCWBEKPXBX-GLQYFDAESA-N 1 0 319.246 4.027 20 30 DIEDRO Cc1cc(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)cn1 ZINC000425276166 1042787230 /nfs/dbraw/zinc/78/72/30/1042787230.db2.gz DBCXKACALUONLN-SFHVURJKSA-N 1 0 323.465 4.018 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1Cl)Cc1ccc(C#N)cc1 ZINC000514696397 1042787527 /nfs/dbraw/zinc/78/75/27/1042787527.db2.gz JIJIYXNQSPNCJR-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000425338995 1042793837 /nfs/dbraw/zinc/79/38/37/1042793837.db2.gz BXIJQNSRNDELNQ-OALUTQOASA-N 1 0 308.450 4.209 20 30 DIEDRO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425367006 1042798539 /nfs/dbraw/zinc/79/85/39/1042798539.db2.gz RKKPOIOMXWLHRM-OAHLLOKOSA-N 1 0 324.472 4.320 20 30 DIEDRO C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C[C@@H](CC)CCCC ZINC001269961080 1042802318 /nfs/dbraw/zinc/80/23/18/1042802318.db2.gz UENWJGWMLQFOKR-XWSJACJDSA-N 1 0 320.521 4.090 20 30 DIEDRO CCC[N@H+](CCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000515410997 1042819046 /nfs/dbraw/zinc/81/90/46/1042819046.db2.gz YHFIZGDODFAKFJ-UHFFFAOYSA-N 1 0 308.425 4.239 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)nc1 ZINC000515418946 1042819113 /nfs/dbraw/zinc/81/91/13/1042819113.db2.gz LATIYDFNWOSFET-IBGZPJMESA-N 1 0 309.388 4.113 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(F)c1 ZINC000515511598 1042823606 /nfs/dbraw/zinc/82/36/06/1042823606.db2.gz OJWOQIOZXJIQGQ-GOSISDBHSA-N 1 0 312.363 4.044 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)ccc1C#N ZINC000515559920 1042827616 /nfs/dbraw/zinc/82/76/16/1042827616.db2.gz RFJYYXKMMMNRCF-AWEZNQCLSA-N 1 0 320.392 4.472 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)c1 ZINC000515744487 1042833632 /nfs/dbraw/zinc/83/36/32/1042833632.db2.gz KAEIIMURWTXRTQ-HXUWFJFHSA-N 1 0 306.409 4.083 20 30 DIEDRO Cc1c(C[NH2+]C[C@@H](C#N)CCC#N)sc2ccc(Cl)cc12 ZINC000515760457 1042834513 /nfs/dbraw/zinc/83/45/13/1042834513.db2.gz GAAOBZCBIVYGSX-GFCCVEGCSA-N 1 0 317.845 4.396 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1OC1CC1 ZINC000425535637 1042838367 /nfs/dbraw/zinc/83/83/67/1042838367.db2.gz NQWRGOBELKLWPT-OAHLLOKOSA-N 1 0 306.409 4.292 20 30 DIEDRO CCCCCCCCC(=O)N1CCC2(CCC[N@H+](C)C2)CC1 ZINC001270164259 1042847319 /nfs/dbraw/zinc/84/73/19/1042847319.db2.gz SMURBFKFXBDALR-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)Cc1ccsc1 ZINC000425922208 1042875103 /nfs/dbraw/zinc/87/51/03/1042875103.db2.gz QUXYPPALKZIEOO-CYBMUJFWSA-N 1 0 302.418 4.212 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C3CC3)cc1F)CC2 ZINC000425936709 1042877844 /nfs/dbraw/zinc/87/78/44/1042877844.db2.gz JIQOAFNULOJMGN-HXUWFJFHSA-N 1 0 306.384 4.352 20 30 DIEDRO CC[C@]1(C[NH2+][C@@H](C)c2cccc(C#N)c2)OCCc2ccccc21 ZINC000517442563 1042881107 /nfs/dbraw/zinc/88/11/07/1042881107.db2.gz UVHGFSXRIHYDHA-HRAATJIYSA-N 1 0 320.436 4.087 20 30 DIEDRO CCOc1cccc(/C=N\CCc2c(C)[nH]c3ccccc32)c1O ZINC000726889979 1042881379 /nfs/dbraw/zinc/88/13/79/1042881379.db2.gz ITHZBBMKXILCCZ-BKUYFWCQSA-N 1 0 322.408 4.242 20 30 DIEDRO N#Cc1cccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)c1 ZINC000425958952 1042887398 /nfs/dbraw/zinc/88/73/98/1042887398.db2.gz PUOFVVVYXVLSID-UHFFFAOYSA-N 1 0 308.347 4.303 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000925068841 1042947426 /nfs/dbraw/zinc/94/74/26/1042947426.db2.gz BIUGZIWGLYYCBU-CRAIPNDOSA-N 1 0 300.446 4.072 20 30 DIEDRO COC1CCC(C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000894607524 1042969539 /nfs/dbraw/zinc/96/95/39/1042969539.db2.gz SHIRKKYCGLKBDS-KVZIAJEVSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000925079075 1042975100 /nfs/dbraw/zinc/97/51/00/1042975100.db2.gz DTQPLXAHBQYVIT-IRXDYDNUSA-N 1 0 313.489 4.130 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1OC(F)(F)F ZINC000151371623 1042988930 /nfs/dbraw/zinc/98/89/30/1042988930.db2.gz MFLXSUCZUPXSIS-LBPRGKRZSA-N 1 0 320.314 4.308 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)ccc1OC ZINC000151372778 1042989065 /nfs/dbraw/zinc/98/90/65/1042989065.db2.gz FJLJEBIWNWBPGO-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000441388639 1043042354 /nfs/dbraw/zinc/04/23/54/1043042354.db2.gz SSCKCPRFECEHRT-UHFFFAOYSA-N 1 0 310.397 4.491 20 30 DIEDRO Cc1c(Cl)cccc1N1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000520421695 1043045166 /nfs/dbraw/zinc/04/51/66/1043045166.db2.gz DUHRBJFAZBLVRE-UHFFFAOYSA-N 1 0 319.880 4.100 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)cc1 ZINC001167990972 1043053236 /nfs/dbraw/zinc/05/32/36/1043053236.db2.gz CNULAPQTZFWBJP-KRWDZBQOSA-N 1 0 310.376 4.120 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cc(F)ccc1F ZINC000174422869 1043066769 /nfs/dbraw/zinc/06/67/69/1043066769.db2.gz JVTJKVFKXNJYOR-QGZVFWFLSA-N 1 0 316.351 4.086 20 30 DIEDRO C#CCOc1ccc([C@@H](C)Nc2cc(C)cc(C[NH+](C)C)c2)cc1 ZINC000777288112 1043075981 /nfs/dbraw/zinc/07/59/81/1043075981.db2.gz PULJYWFQKJUVSD-QGZVFWFLSA-N 1 0 322.452 4.242 20 30 DIEDRO CCc1nc2cc(NC(=O)CC[N@@H+]3CCCC[C@H]3C)ccc2o1 ZINC000328794481 1043079320 /nfs/dbraw/zinc/07/93/20/1043079320.db2.gz SMFVQSVXEGISSH-CYBMUJFWSA-N 1 0 315.417 4.243 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000328794805 1043079803 /nfs/dbraw/zinc/07/98/03/1043079803.db2.gz SQMXMCICIKCOHY-CYBMUJFWSA-N 1 0 315.417 4.073 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000176959990 1043101569 /nfs/dbraw/zinc/10/15/69/1043101569.db2.gz ZUFQVRZUTRNNTK-INIZCTEOSA-N 1 0 300.427 4.259 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000176960010 1043101607 /nfs/dbraw/zinc/10/16/07/1043101607.db2.gz ZUFQVRZUTRNNTK-MRXNPFEDSA-N 1 0 300.427 4.259 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000865477995 1043103457 /nfs/dbraw/zinc/10/34/57/1043103457.db2.gz PCHMAMLPTFJWIU-UHFFFAOYSA-N 1 0 312.388 4.164 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CCCC1 ZINC000865623612 1043119471 /nfs/dbraw/zinc/11/94/71/1043119471.db2.gz NCXPILLWZJFZGX-UHFFFAOYSA-N 1 0 300.402 4.150 20 30 DIEDRO CC[N@H+](Cc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463543 1043147363 /nfs/dbraw/zinc/14/73/63/1043147363.db2.gz NVAYRLCQESNEHQ-HNNXBMFYSA-N 1 0 321.424 4.100 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OCc2csc(C)n2)cc1)C1CC1 ZINC000350267015 1043155546 /nfs/dbraw/zinc/15/55/46/1043155546.db2.gz NJBPFBUVQNWFSH-UHFFFAOYSA-N 1 0 314.454 4.181 20 30 DIEDRO C[NH+](C)C1(C)CCC(Nc2cccc(C(F)F)c2C#N)CC1 ZINC000866147342 1043156838 /nfs/dbraw/zinc/15/68/38/1043156838.db2.gz MXJJKXOQEFFGPI-UHFFFAOYSA-N 1 0 307.388 4.171 20 30 DIEDRO C=CC[C@H](C(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1 ZINC000190098088 1043173966 /nfs/dbraw/zinc/17/39/66/1043173966.db2.gz JHIPGVMMHGGUHV-IBGZPJMESA-N 1 0 322.452 4.355 20 30 DIEDRO C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000866294346 1043176175 /nfs/dbraw/zinc/17/61/75/1043176175.db2.gz HKQULQKLRAZWHV-VLIAUNLRSA-N 1 0 324.399 4.141 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866352118 1043186084 /nfs/dbraw/zinc/18/60/84/1043186084.db2.gz GWLDZJABGGGQSG-OZVIIMIRSA-N 1 0 320.820 4.113 20 30 DIEDRO C[C@@H](CCc1cccnc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000866364112 1043189637 /nfs/dbraw/zinc/18/96/37/1043189637.db2.gz PKFWSLGTZFPNEK-PXNSSMCTSA-N 1 0 307.441 4.427 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866363623 1043190061 /nfs/dbraw/zinc/19/00/61/1043190061.db2.gz KCWDMOSWOKGUDD-ZJOUEHCJSA-N 1 0 319.452 4.427 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000866451531 1043203550 /nfs/dbraw/zinc/20/35/50/1043203550.db2.gz UWXMDEFIHTYQEV-RWBZWWBESA-N 1 0 300.446 4.335 20 30 DIEDRO CC(C)(C)OC1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000866451055 1043203870 /nfs/dbraw/zinc/20/38/70/1043203870.db2.gz OLZDFISZIXVSTK-TVPLGVNVSA-N 1 0 312.457 4.261 20 30 DIEDRO COCC1=CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000185884903 1043208378 /nfs/dbraw/zinc/20/83/78/1043208378.db2.gz GHLWGAPMICSDLD-UHFFFAOYSA-N 1 0 318.420 4.004 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(OC)c1OC ZINC000866507116 1043211578 /nfs/dbraw/zinc/21/15/78/1043211578.db2.gz CBTHIIHDZIVUTA-RCDNUKIMSA-N 1 0 316.445 4.217 20 30 DIEDRO FC(F)(F)CCON=C1CCCC[C@@H]1[NH+]1CCCCCC1 ZINC000777459745 1043257158 /nfs/dbraw/zinc/25/71/58/1043257158.db2.gz UNYSUKXWQUSWAP-AWEZNQCLSA-N 1 0 306.372 4.130 20 30 DIEDRO COC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000194064517 1043289425 /nfs/dbraw/zinc/28/94/25/1043289425.db2.gz DONXGUBBUPMABV-SCLBCKFNSA-N 1 0 314.816 4.250 20 30 DIEDRO N#CCSCCC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000266713239 1043302634 /nfs/dbraw/zinc/30/26/34/1043302634.db2.gz JWBXHRSDMDCIGC-UHFFFAOYSA-N 1 0 315.269 4.219 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CCCC(F)(F)F)ccc1OC ZINC000266649576 1043302770 /nfs/dbraw/zinc/30/27/70/1043302770.db2.gz VUVWZTCFSUZXIX-UHFFFAOYSA-N 1 0 317.351 4.082 20 30 DIEDRO C[C@H](NCc1ccc(Cl)cc1F)c1ccc(C#N)c(F)c1 ZINC000427895025 1043313633 /nfs/dbraw/zinc/31/36/33/1043313633.db2.gz RRGGNRANRMAEHG-JTQLQIEISA-N 1 0 306.743 4.341 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C(C)C)cc1 ZINC000520900010 1043339789 /nfs/dbraw/zinc/33/97/89/1043339789.db2.gz HXSWPRYIJSHIJP-FQEVSTJZSA-N 1 0 324.424 4.062 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1cccc(F)c1 ZINC000521057292 1043358801 /nfs/dbraw/zinc/35/88/01/1043358801.db2.gz KFBZFJMCQPLCGQ-IBGZPJMESA-N 1 0 308.400 4.252 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)CCC#N)cc1OC ZINC000521291750 1043382232 /nfs/dbraw/zinc/38/22/32/1043382232.db2.gz AEOYTHOZGYRPJM-CABCVRRESA-N 1 0 318.461 4.115 20 30 DIEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)o1 ZINC000521334843 1043389185 /nfs/dbraw/zinc/38/91/85/1043389185.db2.gz CWRIKMXDRNPPOC-BEFAXECRSA-N 1 0 324.424 4.375 20 30 DIEDRO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CC[C@@H](C#N)C3)s2)cs1 ZINC000442633317 1043397932 /nfs/dbraw/zinc/39/79/32/1043397932.db2.gz CLJXMNBNCKWFAH-CHWSQXEVSA-N 1 0 317.483 4.004 20 30 DIEDRO CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl ZINC000442635399 1043398451 /nfs/dbraw/zinc/39/84/51/1043398451.db2.gz PMVKYSGKQDRMHX-IIDMSEBBSA-N 1 0 319.880 4.005 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000442655658 1043402568 /nfs/dbraw/zinc/40/25/68/1043402568.db2.gz VKHOTVFUSAOJQW-FXAWDEMLSA-N 1 0 304.437 4.490 20 30 DIEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000925316518 1043409887 /nfs/dbraw/zinc/40/98/87/1043409887.db2.gz HEGIBAZJTCBKMF-GJZGRUSLSA-N 1 0 315.461 4.089 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1 ZINC000871935752 1043416948 /nfs/dbraw/zinc/41/69/48/1043416948.db2.gz BFPTUNWEYBLNGH-RYUDHWBXSA-N 1 0 319.330 4.384 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3cccc(C)c32)c1 ZINC000925418500 1043417014 /nfs/dbraw/zinc/41/70/14/1043417014.db2.gz KFYXSXIURDCLLU-UYAOXDASSA-N 1 0 320.436 4.453 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCCCC2)C1 ZINC000442775389 1043417525 /nfs/dbraw/zinc/41/75/25/1043417525.db2.gz BSGNLIRYDZOFCT-YJBOKZPZSA-N 1 0 300.421 4.309 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442783286 1043418852 /nfs/dbraw/zinc/41/88/52/1043418852.db2.gz PWNWULQNCHHKRE-AEFFLSMTSA-N 1 0 314.473 4.281 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000442785903 1043418909 /nfs/dbraw/zinc/41/89/09/1043418909.db2.gz WJPQGFXCRLJVTM-OALUTQOASA-N 1 0 306.409 4.047 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(C#N)c(F)c1 ZINC000442806793 1043420485 /nfs/dbraw/zinc/42/04/85/1043420485.db2.gz CLHICMATSCHSBY-ZDUSSCGKSA-N 1 0 307.372 4.072 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c(OCCC(C)C)c1 ZINC000442770629 1043421041 /nfs/dbraw/zinc/42/10/41/1043421041.db2.gz RTRYNLLFBBTIGX-WMZOPIPTSA-N 1 0 300.446 4.202 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c(OCCC(C)C)c1 ZINC000442770626 1043422136 /nfs/dbraw/zinc/42/21/36/1043422136.db2.gz RTRYNLLFBBTIGX-AEFFLSMTSA-N 1 0 300.446 4.202 20 30 DIEDRO C=CC[N@H+](Cc1ccc(CF)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000777561452 1043424175 /nfs/dbraw/zinc/42/41/75/1043424175.db2.gz KQMDBJZGYUIEBL-UHFFFAOYSA-N 1 0 314.360 4.253 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000442789068 1043424615 /nfs/dbraw/zinc/42/46/15/1043424615.db2.gz DFEOASHHTJJCGS-HLAWJBBLSA-N 1 0 304.437 4.295 20 30 DIEDRO COc1cc(C[N@H+](Cc2ccccc2F)C(C)C)ccc1C#N ZINC000442793525 1043424811 /nfs/dbraw/zinc/42/48/11/1043424811.db2.gz BIYWQENRNVATJK-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO C#CCCCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925525478 1043426690 /nfs/dbraw/zinc/42/66/90/1043426690.db2.gz BJFHCZUREDHCOH-HXUWFJFHSA-N 1 0 304.393 4.310 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)ccc1C#N ZINC000442809806 1043428245 /nfs/dbraw/zinc/42/82/45/1043428245.db2.gz LPPJUCFUMMGERV-LJQANCHMSA-N 1 0 306.409 4.212 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000442818188 1043429910 /nfs/dbraw/zinc/42/99/10/1043429910.db2.gz HVVGMWMQEZEGLP-FUHWJXTLSA-N 1 0 324.399 4.442 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1ccccc1 ZINC000271549273 1043434736 /nfs/dbraw/zinc/43/47/36/1043434736.db2.gz RYACUJBMDSFINS-KXBFYZLASA-N 1 0 309.409 4.119 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(CC#N)cc1 ZINC000442863807 1043438654 /nfs/dbraw/zinc/43/86/54/1043438654.db2.gz ASRCNJRRCFVFKJ-UHFFFAOYSA-N 1 0 303.409 4.256 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000442864704 1043439100 /nfs/dbraw/zinc/43/91/00/1043439100.db2.gz GTGKVQISOQVXTE-PMTKGXAQSA-N 1 0 323.415 4.230 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442864945 1043439388 /nfs/dbraw/zinc/43/93/88/1043439388.db2.gz HDLRBKAFHTVQHQ-URGFFDDHSA-N 1 0 300.421 4.369 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000925634927 1043440301 /nfs/dbraw/zinc/44/03/01/1043440301.db2.gz MZEINKTWALMQRB-OXQOHEQNSA-N 1 0 307.437 4.329 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442857979 1043445661 /nfs/dbraw/zinc/44/56/61/1043445661.db2.gz HFICQFRZOBTXBT-KLAILNCOSA-N 1 0 300.446 4.454 20 30 DIEDRO CC(C)[N@H+](CCCCC(C)(C)C#N)CCN1CCCCCC1 ZINC000558133544 1043445674 /nfs/dbraw/zinc/44/56/74/1043445674.db2.gz RVZUAHRSONHNPC-UHFFFAOYSA-N 1 0 307.526 4.293 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000442859039 1043446035 /nfs/dbraw/zinc/44/60/35/1043446035.db2.gz PVXJFCUMMJOMKR-HIFRSBDPSA-N 1 0 306.837 4.301 20 30 DIEDRO COc1ccccc1C[C@H]([NH2+]CC1CCC(C#N)CC1)C(C)C ZINC000442857841 1043446500 /nfs/dbraw/zinc/44/65/00/1043446500.db2.gz QFXUTRAOPMMXFB-TVPLGVNVSA-N 1 0 314.473 4.182 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cccc(C#N)c1F ZINC000442880009 1043448595 /nfs/dbraw/zinc/44/85/95/1043448595.db2.gz CLJBFMAHDQAQOV-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCOC4(CCCC4)C3)CCC2)cc1 ZINC000872084361 1043453739 /nfs/dbraw/zinc/45/37/39/1043453739.db2.gz IFQHJTIAMGYKHX-GOSISDBHSA-N 1 0 310.441 4.019 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccccc1 ZINC000274447563 1043456435 /nfs/dbraw/zinc/45/64/35/1043456435.db2.gz RSZWSUFLQRAFMP-IBGZPJMESA-N 1 0 321.420 4.186 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)CC2 ZINC000872107458 1043461117 /nfs/dbraw/zinc/46/11/17/1043461117.db2.gz MOVNLGAGRCONEX-AWEZNQCLSA-N 1 0 322.355 4.416 20 30 DIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2cccc(C#N)c2)c1C ZINC000521827416 1043480589 /nfs/dbraw/zinc/48/05/89/1043480589.db2.gz HECDAOGXCJZOJK-UHFFFAOYSA-N 1 0 303.409 4.255 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000443109312 1043490418 /nfs/dbraw/zinc/49/04/18/1043490418.db2.gz YGOQHCGFHMSNCX-YLJYHZDGSA-N 1 0 322.452 4.181 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000349195609 1043496273 /nfs/dbraw/zinc/49/62/73/1043496273.db2.gz SWVRABTYXMALPX-MRXNPFEDSA-N 1 0 314.458 4.077 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000925953932 1043498364 /nfs/dbraw/zinc/49/83/64/1043498364.db2.gz TXMJGDRFHRKRRK-MRXNPFEDSA-N 1 0 300.446 4.044 20 30 DIEDRO C=C(C)C[N@H+](C/C(C)=C/c1ccccc1)Cc1ccc(CO)o1 ZINC000558409280 1043502916 /nfs/dbraw/zinc/50/29/16/1043502916.db2.gz QUEPQMKEAVRNFO-GZTJUZNOSA-N 1 0 311.425 4.254 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC000873176649 1043523939 /nfs/dbraw/zinc/52/39/39/1043523939.db2.gz RVDZKDGUGADURT-UHFFFAOYSA-N 1 0 319.355 4.039 20 30 DIEDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)OC(C)C ZINC000926201554 1043545455 /nfs/dbraw/zinc/54/54/55/1043545455.db2.gz HFIFCGLRDNZUSW-MAUKXSAKSA-N 1 0 318.461 4.079 20 30 DIEDRO C=C(C)[C@@H](N[C@@H](C)c1cc(OC)ccn1)c1ccc(F)c(F)c1 ZINC000926206518 1043547300 /nfs/dbraw/zinc/54/73/00/1043547300.db2.gz NJRDRZCCPNSRRN-KPZWWZAWSA-N 1 0 318.367 4.336 20 30 DIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000350721150 1043551770 /nfs/dbraw/zinc/55/17/70/1043551770.db2.gz RWCXCQWTPGJCPG-MRXNPFEDSA-N 1 0 306.409 4.163 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(CF)cc1 ZINC000777595112 1043561278 /nfs/dbraw/zinc/56/12/78/1043561278.db2.gz UVJTUTRYLTWCSL-UXHICEINSA-N 1 0 308.400 4.428 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)cc1 ZINC000124675688 1043561406 /nfs/dbraw/zinc/56/14/06/1043561406.db2.gz CLAZADKOFVEAMP-AWEZNQCLSA-N 1 0 312.388 4.141 20 30 DIEDRO Cc1ccc([C@H]([NH2+][C@H](C)CC(C)(C)C#N)c2ccccn2)cc1 ZINC000926334838 1043565948 /nfs/dbraw/zinc/56/59/48/1043565948.db2.gz ZUHOFXDSPITGRU-APWZRJJASA-N 1 0 307.441 4.397 20 30 DIEDRO Cc1ccc([C@@H]([NH2+]CC2CCC(C#N)CC2)c2cccnc2)cc1 ZINC000926357344 1043569606 /nfs/dbraw/zinc/56/96/06/1043569606.db2.gz WLEUFAJJBZABRO-WIXQSORDSA-N 1 0 319.452 4.399 20 30 DIEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](C)CCC=C(C)C ZINC001275069380 1043570457 /nfs/dbraw/zinc/57/04/57/1043570457.db2.gz ORAZDGWZHNPICS-IPMKNSEASA-N 1 0 318.505 4.010 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+](C[C@H](CC)CCCC)CC2)C1=O ZINC001275081732 1043572280 /nfs/dbraw/zinc/57/22/80/1043572280.db2.gz IGBHEPXMJZQAMA-UYAOXDASSA-N 1 0 320.521 4.093 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)cc1 ZINC000926401374 1043573174 /nfs/dbraw/zinc/57/31/74/1043573174.db2.gz MZQRDNDWJDBULY-HNNXBMFYSA-N 1 0 311.429 4.024 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000926407097 1043573902 /nfs/dbraw/zinc/57/39/02/1043573902.db2.gz RTSWWWGIONSYMZ-DZGCQCFKSA-N 1 0 304.434 4.073 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(Cl)cc1 ZINC000124957645 1043576056 /nfs/dbraw/zinc/57/60/56/1043576056.db2.gz BHBSEVVTVODLSK-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1(Br)CC1 ZINC000926479247 1043583286 /nfs/dbraw/zinc/58/32/86/1043583286.db2.gz ITFGSFUZRGNCDR-ZFWWWQNUSA-N 1 0 321.262 4.327 20 30 DIEDRO COc1ccnc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000926480809 1043584108 /nfs/dbraw/zinc/58/41/08/1043584108.db2.gz RGZPVLJYYBEIJW-MAUKXSAKSA-N 1 0 309.413 4.176 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000926482054 1043585110 /nfs/dbraw/zinc/58/51/10/1043585110.db2.gz XHVXJRSMKZYFOR-UFYCRDLUSA-N 1 0 311.473 4.028 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000926481985 1043585348 /nfs/dbraw/zinc/58/53/48/1043585348.db2.gz WMWQUUULFBWBEJ-AEFFLSMTSA-N 1 0 322.456 4.305 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1O ZINC000353261752 1043594786 /nfs/dbraw/zinc/59/47/86/1043594786.db2.gz UVNDSAAOJIKTTA-RHSMWYFYSA-N 1 0 310.397 4.096 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccnn1C1CCC1 ZINC000926603077 1043606143 /nfs/dbraw/zinc/60/61/43/1043606143.db2.gz SJYJCZCAFBVGOJ-IFXJQAMLSA-N 1 0 320.440 4.208 20 30 DIEDRO C=CC[N@@H+](CCCCC(F)(F)F)Cc1ccc(OC)cc1 ZINC000443621132 1043624459 /nfs/dbraw/zinc/62/44/59/1043624459.db2.gz FWLYBMXIOWHLAG-UHFFFAOYSA-N 1 0 301.352 4.416 20 30 DIEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2(CC#N)CC2)cc1 ZINC000353640362 1043627638 /nfs/dbraw/zinc/62/76/38/1043627638.db2.gz UNBXIQNGFREKEI-HXUWFJFHSA-N 1 0 320.436 4.262 20 30 DIEDRO CC1CCC([N@H+](C[C@H]2CCCO2)CC(C)(C)CCC#N)CC1 ZINC000353649589 1043629656 /nfs/dbraw/zinc/62/96/56/1043629656.db2.gz SGOLMUKOAWHFOD-DAWZGUTISA-N 1 0 306.494 4.376 20 30 DIEDRO C=CCCCCCCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001141777572 1043650238 /nfs/dbraw/zinc/65/02/38/1043650238.db2.gz LPMODNAAQGKRSP-SFHVURJKSA-N 1 0 320.521 4.284 20 30 DIEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353916927 1043656704 /nfs/dbraw/zinc/65/67/04/1043656704.db2.gz RYVNNXVUROMGJQ-JXFKEZNVSA-N 1 0 308.425 4.348 20 30 DIEDRO Cc1ccc2ncc(C[NH2+][C@@H](CCCC#N)c3ccccc3)n2c1 ZINC000353915906 1043656745 /nfs/dbraw/zinc/65/67/45/1043656745.db2.gz OHDJKJROHRLHOG-IBGZPJMESA-N 1 0 318.424 4.168 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000353914678 1043657256 /nfs/dbraw/zinc/65/72/56/1043657256.db2.gz KZDJPVLIAVLHKV-GOSISDBHSA-N 1 0 323.396 4.428 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000353918078 1043657299 /nfs/dbraw/zinc/65/72/99/1043657299.db2.gz XJUIAOOCJUQLGV-KRWDZBQOSA-N 1 0 320.396 4.194 20 30 DIEDRO COc1cccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1OC ZINC000353913236 1043658080 /nfs/dbraw/zinc/65/80/80/1043658080.db2.gz HYJAUPAZUUOSRB-GOSISDBHSA-N 1 0 324.424 4.229 20 30 DIEDRO CC(C)(C)c1ncc(C[NH2+][C@H](CCCC#N)c2ccccc2)cn1 ZINC000353918427 1043659601 /nfs/dbraw/zinc/65/96/01/1043659601.db2.gz YEWVTAFZIMEKAC-GOSISDBHSA-N 1 0 322.456 4.299 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1C#N ZINC000926963395 1043664339 /nfs/dbraw/zinc/66/43/39/1043664339.db2.gz DWBJBOLTCCYESA-LJQANCHMSA-N 1 0 318.420 4.403 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353996460 1043669092 /nfs/dbraw/zinc/66/90/92/1043669092.db2.gz DMRSQMCFKRIHGY-FQEVSTJZSA-N 1 0 320.436 4.186 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(C(F)(F)F)CC1 ZINC000353983335 1043669289 /nfs/dbraw/zinc/66/92/89/1043669289.db2.gz XROYIGDLJIMXGJ-HNNXBMFYSA-N 1 0 308.347 4.258 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000927068957 1043681331 /nfs/dbraw/zinc/68/13/31/1043681331.db2.gz KDIMGWINAFUZNC-HLAWJBBLSA-N 1 0 324.468 4.121 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000559054127 1043682556 /nfs/dbraw/zinc/68/25/56/1043682556.db2.gz KQMGKFFSIMFTCH-LSDHHAIUSA-N 1 0 308.853 4.478 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccccc1 ZINC000927109556 1043688464 /nfs/dbraw/zinc/68/84/64/1043688464.db2.gz QBIWITYDUOELGZ-IBGZPJMESA-N 1 0 309.457 4.485 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1ccc(C#N)cc1F ZINC000927115810 1043691190 /nfs/dbraw/zinc/69/11/90/1043691190.db2.gz LZSCKDZWEULAGZ-XOBRGWDASA-N 1 0 324.399 4.052 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000927114838 1043691531 /nfs/dbraw/zinc/69/15/31/1043691531.db2.gz HASXTNIHPUKSBI-VLIAUNLRSA-N 1 0 324.399 4.052 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1cccc(C#N)c1 ZINC000927123236 1043692973 /nfs/dbraw/zinc/69/29/73/1043692973.db2.gz OFDNCXJBFITMJK-SFHVURJKSA-N 1 0 324.424 4.125 20 30 DIEDRO CCSc1ccc(CNCc2cc(C#N)cnc2Cl)cc1 ZINC000895526204 1043699462 /nfs/dbraw/zinc/69/94/62/1043699462.db2.gz HVJDVPGBVIFADT-UHFFFAOYSA-N 1 0 317.845 4.008 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCC[C@]2(CCN(CC=C)C2=O)CC1 ZINC001275328717 1043700461 /nfs/dbraw/zinc/70/04/61/1043700461.db2.gz BFPNJLRYEACBTJ-HXUWFJFHSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@]2(CCN(CC(=C)C)C2=O)CC1 ZINC001275329332 1043701522 /nfs/dbraw/zinc/70/15/22/1043701522.db2.gz SKTKBGVNTSRFGR-HXUWFJFHSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(=O)OCC)co1)c1ccccc1 ZINC000354548317 1043708964 /nfs/dbraw/zinc/70/89/64/1043708964.db2.gz LRAAVNHCAGWIBZ-GOSISDBHSA-N 1 0 313.397 4.253 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000559186462 1043711679 /nfs/dbraw/zinc/71/16/79/1043711679.db2.gz QAZFUZKSDHWHLF-CVEARBPZSA-N 1 0 313.363 4.134 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000474280198 1043724742 /nfs/dbraw/zinc/72/47/42/1043724742.db2.gz LMHJTEAPLWTCML-UHFFFAOYSA-N 1 0 318.852 4.099 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)CC12CCC2 ZINC000354922143 1043728799 /nfs/dbraw/zinc/72/87/99/1043728799.db2.gz QTIDPZWNFRAXQF-QGZVFWFLSA-N 1 0 312.457 4.381 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)CC12CCC2 ZINC000354922142 1043729611 /nfs/dbraw/zinc/72/96/11/1043729611.db2.gz QTIDPZWNFRAXQF-KRWDZBQOSA-N 1 0 312.457 4.381 20 30 DIEDRO C=CC[C@@H]([NH2+]C[C@@H](OC(C)C)c1ccccc1)c1ccncc1 ZINC000877046532 1043737627 /nfs/dbraw/zinc/73/76/27/1043737627.db2.gz OYQPWFJUJBDYHK-WOJBJXKFSA-N 1 0 310.441 4.455 20 30 DIEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000355090742 1043741726 /nfs/dbraw/zinc/74/17/26/1043741726.db2.gz VFYBEDYPUCQWRT-IXDOHACOSA-N 1 0 300.446 4.236 20 30 DIEDRO C#CC1([NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC001168033533 1043751012 /nfs/dbraw/zinc/75/10/12/1043751012.db2.gz MBFSEVSGDOJUIT-RTBURBONSA-N 1 0 324.512 4.354 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc(Br)no1 ZINC000718880913 1043757716 /nfs/dbraw/zinc/75/77/16/1043757716.db2.gz FKYFCHUTQSYSTA-LLVKDONJSA-N 1 0 303.244 4.276 20 30 DIEDRO Cc1ccc(C[NH+](C)C)cc1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000777700826 1043768511 /nfs/dbraw/zinc/76/85/11/1043768511.db2.gz JJQOVTDLKNSAAL-FQEVSTJZSA-N 1 0 319.452 4.418 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000877536004 1043772627 /nfs/dbraw/zinc/77/26/27/1043772627.db2.gz HYVHZCPZECFVFB-APDVGNCJSA-N 1 0 320.436 4.133 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149036 1043774919 /nfs/dbraw/zinc/77/49/19/1043774919.db2.gz PPZFMWPHHIFYDY-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000877661659 1043785477 /nfs/dbraw/zinc/78/54/77/1043785477.db2.gz FGIPABAISPWLTE-IAGOWNOFSA-N 1 0 311.816 4.033 20 30 DIEDRO C[N@H+](CCCCC1(C#N)CCC1)Cc1ccn(-c2ccccc2)n1 ZINC000929294704 1043807997 /nfs/dbraw/zinc/80/79/97/1043807997.db2.gz FCQCZIGKGHLNRT-UHFFFAOYSA-N 1 0 322.456 4.168 20 30 DIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cncc(C#N)c1 ZINC000929384257 1043813210 /nfs/dbraw/zinc/81/32/10/1043813210.db2.gz WCVJQORJDCWCJP-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cncc(C#N)c1 ZINC000929384321 1043814673 /nfs/dbraw/zinc/81/46/73/1043814673.db2.gz XJCAIMNUHLPKTH-LLVKDONJSA-N 1 0 320.223 4.453 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000356291031 1043831364 /nfs/dbraw/zinc/83/13/64/1043831364.db2.gz ZUXXYFGLAFEFJE-LJQANCHMSA-N 1 0 310.441 4.134 20 30 DIEDRO CC[C@@H]1CCCCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878123532 1043847369 /nfs/dbraw/zinc/84/73/69/1043847369.db2.gz BBWJJMSGEBIWKF-UXHICEINSA-N 1 0 312.457 4.082 20 30 DIEDRO C=CC[C@@H](C)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000878203220 1043856800 /nfs/dbraw/zinc/85/68/00/1043856800.db2.gz IWBURYKTEIPOGR-OAHLLOKOSA-N 1 0 320.502 4.029 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CC1CCC(C#N)CC1)CCC2 ZINC000930034597 1043867806 /nfs/dbraw/zinc/86/78/06/1043867806.db2.gz DGERRWRRFXAFMF-XUJLQICISA-N 1 0 317.502 4.345 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356822581 1043882471 /nfs/dbraw/zinc/88/24/71/1043882471.db2.gz NPODRLDXIMZSTJ-IYBDPMFKSA-N 1 0 314.473 4.350 20 30 DIEDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC000930185155 1043887673 /nfs/dbraw/zinc/88/76/73/1043887673.db2.gz FCMDVCUVLYXVGU-OAHLLOKOSA-N 1 0 324.424 4.043 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000453348129 1043892014 /nfs/dbraw/zinc/89/20/14/1043892014.db2.gz KUHVDOBALWYHBZ-ZNMIVQPWSA-N 1 0 309.862 4.200 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCCCC1(C#N)CCC1 ZINC000930200976 1043893438 /nfs/dbraw/zinc/89/34/38/1043893438.db2.gz HYKMRLGXCUUCRT-CQSZACIVSA-N 1 0 304.409 4.349 20 30 DIEDRO CCC[C@@H]1CCCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878428744 1043894025 /nfs/dbraw/zinc/89/40/25/1043894025.db2.gz VZXRRUGHULIQFQ-UXHICEINSA-N 1 0 312.457 4.082 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCCC[C@H]2c2ccccc2)cc1 ZINC000127155477 1043896252 /nfs/dbraw/zinc/89/62/52/1043896252.db2.gz DBWRIYVZAOMCNN-SFTDATJTSA-N 1 0 320.436 4.209 20 30 DIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cncc(C#N)c2)cc1 ZINC000930215900 1043896506 /nfs/dbraw/zinc/89/65/06/1043896506.db2.gz QSNQDUAHCXHUPD-AWEZNQCLSA-N 1 0 311.454 4.305 20 30 DIEDRO N#Cc1cncc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000930217014 1043896751 /nfs/dbraw/zinc/89/67/51/1043896751.db2.gz QTWXKFIRKJLQBR-GOSISDBHSA-N 1 0 311.816 4.238 20 30 DIEDRO Cc1csc([C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C2CC2)n1 ZINC000930239119 1043903093 /nfs/dbraw/zinc/90/30/93/1043903093.db2.gz SPPNHIURZMLGCT-KRWDZBQOSA-N 1 0 311.454 4.181 20 30 DIEDRO N#CCC1(C[NH+]2CCC(c3ccnc4ccccc43)CC2)CC1 ZINC000878666535 1043910597 /nfs/dbraw/zinc/91/05/97/1043910597.db2.gz SKWMLWMYNKBUIK-UHFFFAOYSA-N 1 0 305.425 4.108 20 30 DIEDRO C[C@@]12CC[N@H+](CCCCC3(C#N)CCC3)C[C@@H]1C2(Cl)Cl ZINC000930367314 1043915742 /nfs/dbraw/zinc/91/57/42/1043915742.db2.gz LSUGXBXGICDDNX-UONOGXRCSA-N 1 0 315.288 4.366 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCCn3c(cc4ccccc43)C2)CC1 ZINC000930494295 1043931833 /nfs/dbraw/zinc/93/18/33/1043931833.db2.gz IBGXIMZUPKTQAS-UHFFFAOYSA-N 1 0 307.441 4.177 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878992266 1043933278 /nfs/dbraw/zinc/93/32/78/1043933278.db2.gz WSFUORIOPHSPRU-KFWWJZLASA-N 1 0 318.848 4.158 20 30 DIEDRO C[N@H+](CC1CCC(C#N)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000930506657 1043933835 /nfs/dbraw/zinc/93/38/35/1043933835.db2.gz ZTQFELJKHJKBBE-ZMYVRHLSSA-N 1 0 302.384 4.369 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000561349733 1043934509 /nfs/dbraw/zinc/93/45/09/1043934509.db2.gz XJAAUCCTMCZGIE-CEWLAPEOSA-N 1 0 302.421 4.098 20 30 DIEDRO N#CCCCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000102928752 1043936339 /nfs/dbraw/zinc/93/63/39/1043936339.db2.gz VQJIQTVOIIJSGF-UHFFFAOYSA-N 1 0 314.429 4.244 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000879017581 1043938908 /nfs/dbraw/zinc/93/89/08/1043938908.db2.gz FUAVGXSZLWMMFI-VIFPVBQESA-N 1 0 317.742 4.098 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000127602323 1043952810 /nfs/dbraw/zinc/95/28/10/1043952810.db2.gz PRJGYXBWKQSAKL-SOAGJPPSSA-N 1 0 320.436 4.403 20 30 DIEDRO COc1ccc(C[N@H+](C)CC2CCC(C#N)CC2)cc1Cl ZINC000930724565 1043958225 /nfs/dbraw/zinc/95/82/25/1043958225.db2.gz GGSWYKXVIOHJRT-UHFFFAOYSA-N 1 0 306.837 4.110 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CCC1 ZINC000930765351 1043962368 /nfs/dbraw/zinc/96/23/68/1043962368.db2.gz MAFGFXZNRBUBMI-SFHVURJKSA-N 1 0 316.489 4.132 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C)c1ccccc1 ZINC000474879011 1043965214 /nfs/dbraw/zinc/96/52/14/1043965214.db2.gz PQYQGVRSOGGLPJ-LULLPPNCSA-N 1 0 315.457 4.261 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000879677981 1043980491 /nfs/dbraw/zinc/98/04/91/1043980491.db2.gz SSDRHIMPAAKFCL-LJQANCHMSA-N 1 0 313.489 4.493 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734870 1043986653 /nfs/dbraw/zinc/98/66/53/1043986653.db2.gz ONYUEOLDYFNWPK-GOSISDBHSA-N 1 0 312.457 4.069 20 30 DIEDRO N#CC1CCC(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)CC1 ZINC000931068931 1043988605 /nfs/dbraw/zinc/98/86/05/1043988605.db2.gz AJVYBKQGWGSLEC-UHFFFAOYSA-N 1 0 322.452 4.257 20 30 DIEDRO CC(C)(C#N)CCCCN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951761 1044000907 /nfs/dbraw/zinc/00/09/07/1044000907.db2.gz QDQOXDKRRFMHBY-UHFFFAOYSA-N 1 0 305.510 4.047 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000561783126 1044004251 /nfs/dbraw/zinc/00/42/51/1044004251.db2.gz BYKRHGSDUNYIFV-LJQANCHMSA-N 1 0 324.424 4.159 20 30 DIEDRO CC(C)CC1(C)CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000561784400 1044005144 /nfs/dbraw/zinc/00/51/44/1044005144.db2.gz KDZPIPGFKIYIJL-UHFFFAOYSA-N 1 0 306.494 4.235 20 30 DIEDRO CC(C)([NH2+]Cc1cc(C#N)cs1)c1cccc(Cl)c1F ZINC000185848382 1044011251 /nfs/dbraw/zinc/01/12/51/1044011251.db2.gz GZQGUPRYCUGVAK-UHFFFAOYSA-N 1 0 308.809 4.437 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000358170192 1044029342 /nfs/dbraw/zinc/02/93/42/1044029342.db2.gz QQZJSUMWHFMMBA-MELADBBJSA-N 1 0 301.459 4.456 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000880384927 1044035013 /nfs/dbraw/zinc/03/50/13/1044035013.db2.gz DXMHTEDQNLWAFA-UHFFFAOYSA-N 1 0 308.303 4.195 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)ccc1C#N ZINC001141929414 1044035326 /nfs/dbraw/zinc/03/53/26/1044035326.db2.gz UTYGTPSVHOACHQ-SFHVURJKSA-N 1 0 323.465 4.321 20 30 DIEDRO CC1(C)CN(Cc2ccc(C#N)c(F)c2)[C@H]1c1cccs1 ZINC000561956166 1044037195 /nfs/dbraw/zinc/03/71/95/1044037195.db2.gz DMBQYMQITAEKGK-INIZCTEOSA-N 1 0 300.402 4.342 20 30 DIEDRO N#CC1(CC[NH2+][C@@H](Cn2ccnc2)c2ccccc2)CCCCC1 ZINC000880570774 1044049820 /nfs/dbraw/zinc/04/98/20/1044049820.db2.gz YSGWIAIZIHSQIV-IBGZPJMESA-N 1 0 322.456 4.078 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(C(F)(F)F)nc1 ZINC000931619469 1044052275 /nfs/dbraw/zinc/05/22/75/1044052275.db2.gz XIANABCQDLSTQN-HIFPTAJRSA-N 1 0 311.351 4.081 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCC[C@H](C)O)C(C)(C)C)cc1 ZINC000475028602 1044057279 /nfs/dbraw/zinc/05/72/79/1044057279.db2.gz CBLHDFCJROQNCI-INIZCTEOSA-N 1 0 305.462 4.013 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000358354224 1044060405 /nfs/dbraw/zinc/06/04/05/1044060405.db2.gz PRPIDXNCNSDXMG-MRXNPFEDSA-N 1 0 313.363 4.481 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1F ZINC000562097126 1044065290 /nfs/dbraw/zinc/06/52/90/1044065290.db2.gz ZMTOSNAZZISQKK-IBGZPJMESA-N 1 0 308.400 4.252 20 30 DIEDRO C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(C#N)cc1F ZINC000358579586 1044084051 /nfs/dbraw/zinc/08/40/51/1044084051.db2.gz WTPMEBWTAFKIKJ-CQSZACIVSA-N 1 0 316.420 4.087 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[NH+]1CCC(CC#N)CC1 ZINC000562283660 1044095914 /nfs/dbraw/zinc/09/59/14/1044095914.db2.gz JRBYXWZSTIZNGX-UHFFFAOYSA-N 1 0 324.472 4.141 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)nc1 ZINC000562370083 1044105724 /nfs/dbraw/zinc/10/57/24/1044105724.db2.gz WOABLMRNPMQBIY-NRFANRHFSA-N 1 0 313.404 4.444 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@H](Cc3nccs3)C2)CCC1 ZINC000932194141 1044107558 /nfs/dbraw/zinc/10/75/58/1044107558.db2.gz MKXYKPBIRVJUHR-MRXNPFEDSA-N 1 0 317.502 4.262 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281331424 1044118130 /nfs/dbraw/zinc/11/81/30/1044118130.db2.gz UAPDASAEGGDYBA-IBGZPJMESA-N 1 0 312.388 4.026 20 30 DIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000281394374 1044127943 /nfs/dbraw/zinc/12/79/43/1044127943.db2.gz YHIXHYLBWWWLCX-KPZWWZAWSA-N 1 0 310.372 4.044 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000346774621 1044140435 /nfs/dbraw/zinc/14/04/35/1044140435.db2.gz FNQQNGZMFRJBNA-QGZVFWFLSA-N 1 0 303.409 4.236 20 30 DIEDRO C[C@H]([NH2+]CCCC#N)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000346823636 1044145917 /nfs/dbraw/zinc/14/59/17/1044145917.db2.gz HLHHQGIBGTWGSV-QWRGUYRKSA-N 1 0 301.217 4.043 20 30 DIEDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000359295139 1044153319 /nfs/dbraw/zinc/15/33/19/1044153319.db2.gz OIOHBLHMDXRJLI-FXAWDEMLSA-N 1 0 312.457 4.381 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000281591266 1044166312 /nfs/dbraw/zinc/16/63/12/1044166312.db2.gz LRTBUMCJRLSWNZ-WBVHZDCISA-N 1 0 313.445 4.004 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2F)cc1 ZINC000129717427 1044172315 /nfs/dbraw/zinc/17/23/15/1044172315.db2.gz BUFVOSNBQIQXPK-GJZGRUSLSA-N 1 0 312.388 4.310 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2F)cc1 ZINC000129717634 1044172829 /nfs/dbraw/zinc/17/28/29/1044172829.db2.gz BUFVOSNBQIQXPK-CABCVRRESA-N 1 0 312.388 4.310 20 30 DIEDRO CC[N@H+](Cc1cn(C(C)C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000281685053 1044179842 /nfs/dbraw/zinc/17/98/42/1044179842.db2.gz RTQDSMFCFWJELK-INIZCTEOSA-N 1 0 310.445 4.227 20 30 DIEDRO C#CCC1([NH2+]Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CCC1 ZINC000933298551 1044192210 /nfs/dbraw/zinc/19/22/10/1044192210.db2.gz IGRBSHBSNMYEJD-UHFFFAOYSA-N 1 0 314.816 4.339 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000130145250 1044194301 /nfs/dbraw/zinc/19/43/01/1044194301.db2.gz LNNPUVFXXYLXBW-HNNXBMFYSA-N 1 0 324.399 4.281 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc2c(c1)CCO2 ZINC000933492033 1044199801 /nfs/dbraw/zinc/19/98/01/1044199801.db2.gz VYNMXEUXAKTKNY-OAHLLOKOSA-N 1 0 320.436 4.273 20 30 DIEDRO C[C@H](c1ccc(F)nc1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933608445 1044201248 /nfs/dbraw/zinc/20/12/48/1044201248.db2.gz ZWQIUJPPERNJSF-CQSZACIVSA-N 1 0 309.388 4.033 20 30 DIEDRO Cc1cc(C)c([C@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)c(C)c1 ZINC000933649769 1044203895 /nfs/dbraw/zinc/20/38/95/1044203895.db2.gz UKMBWGJZGDGBTA-KRWDZBQOSA-N 1 0 313.441 4.011 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H](Nc1ccc(N3CCCCC3)nc1)CC2 ZINC000562909599 1044206281 /nfs/dbraw/zinc/20/62/81/1044206281.db2.gz MWHAEWFWYPYVEK-LJQANCHMSA-N 1 0 318.424 4.043 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000130602991 1044210548 /nfs/dbraw/zinc/21/05/48/1044210548.db2.gz NWWBXKJDAPLUDS-SECBINFHSA-N 1 0 308.141 4.265 20 30 DIEDRO C=CCC[C@@H](COc1ccccc1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883207117 1044234181 /nfs/dbraw/zinc/23/41/81/1044234181.db2.gz GXOUAWOSWMBSOO-ROUUACIJSA-N 1 0 315.457 4.092 20 30 DIEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000883208434 1044234941 /nfs/dbraw/zinc/23/49/41/1044234941.db2.gz GMULURPCEQLRDB-FQEVSTJZSA-N 1 0 321.468 4.064 20 30 DIEDRO COc1ccc(C#N)cc1CN[C@@H](c1ncccc1C)C(C)(C)C ZINC000934290444 1044235874 /nfs/dbraw/zinc/23/58/74/1044235874.db2.gz FTWZYNNHMWLPND-IBGZPJMESA-N 1 0 323.440 4.147 20 30 DIEDRO CC1CC[NH+](CCCCNc2cc(Cl)ccc2C#N)CC1 ZINC000522902378 1044237978 /nfs/dbraw/zinc/23/79/78/1044237978.db2.gz QLTZANSGNROAEC-UHFFFAOYSA-N 1 0 305.853 4.136 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)nc1 ZINC000934341382 1044240039 /nfs/dbraw/zinc/24/00/39/1044240039.db2.gz JVFXRFSEYLGWRP-GOSISDBHSA-N 1 0 313.445 4.091 20 30 DIEDRO C=CC[C@H]1CCN1Cc1csc(COc2ccc(F)cc2)n1 ZINC000934470896 1044252894 /nfs/dbraw/zinc/25/28/94/1044252894.db2.gz GTHQZTGXHYQSIU-HNNXBMFYSA-N 1 0 318.417 4.012 20 30 DIEDRO COc1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000883330714 1044277135 /nfs/dbraw/zinc/27/71/35/1044277135.db2.gz KFUXMRWZVZIJRB-KDOFPFPSSA-N 1 0 322.408 4.131 20 30 DIEDRO CC(C)COc1ccccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000563526103 1044278959 /nfs/dbraw/zinc/27/89/59/1044278959.db2.gz LCQGNTHDFVSENH-HXUWFJFHSA-N 1 0 320.436 4.370 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1CCSCC1 ZINC000360649730 1044293315 /nfs/dbraw/zinc/29/33/15/1044293315.db2.gz VWRALGNTABXIPB-GOSISDBHSA-N 1 0 300.471 4.059 20 30 DIEDRO COCCC1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCC1 ZINC000360647624 1044294486 /nfs/dbraw/zinc/29/44/86/1044294486.db2.gz NKLKNBJTPLOSBS-IBGZPJMESA-N 1 0 312.457 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc2c(c1)COC2 ZINC000360658662 1044295469 /nfs/dbraw/zinc/29/54/69/1044295469.db2.gz UOGNAUKMZPEMOI-OAQYLSRUSA-N 1 0 318.420 4.146 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)C1CCOCC1 ZINC000360657070 1044295562 /nfs/dbraw/zinc/29/55/62/1044295562.db2.gz LVYPBFATIUUKPY-UXHICEINSA-N 1 0 312.457 4.121 20 30 DIEDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000360656573 1044296203 /nfs/dbraw/zinc/29/62/03/1044296203.db2.gz IWVONDHGMCPGPP-SXLOBPIMSA-N 1 0 312.457 4.119 20 30 DIEDRO CO[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655124 1044296306 /nfs/dbraw/zinc/29/63/06/1044296306.db2.gz BSSVZRFAPYBVBP-SFTDATJTSA-N 1 0 320.436 4.303 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000883389972 1044303218 /nfs/dbraw/zinc/30/32/18/1044303218.db2.gz CIHXEDGSFUBAGY-BBRMVZONSA-N 1 0 316.470 4.096 20 30 DIEDRO COc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360838856 1044317496 /nfs/dbraw/zinc/31/74/96/1044317496.db2.gz VQCXYARBOVQINJ-HXUWFJFHSA-N 1 0 306.409 4.124 20 30 DIEDRO COc1ccc(F)cc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360883800 1044322061 /nfs/dbraw/zinc/32/20/61/1044322061.db2.gz LYMSVENGUFONAY-LJQANCHMSA-N 1 0 324.399 4.263 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609741580 1044330196 /nfs/dbraw/zinc/33/01/96/1044330196.db2.gz RWTNNAVETAFPPB-MRXNPFEDSA-N 1 0 306.409 4.191 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(NC(C)=O)cc1 ZINC000475272464 1044340436 /nfs/dbraw/zinc/34/04/36/1044340436.db2.gz BTBOSWJOEIXWKN-UHFFFAOYSA-N 1 0 308.425 4.223 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000361005353 1044343104 /nfs/dbraw/zinc/34/31/04/1044343104.db2.gz VENUCUMJBOHCPN-LJQANCHMSA-N 1 0 309.409 4.124 20 30 DIEDRO Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3C)CC2)c1 ZINC000186297290 1044343998 /nfs/dbraw/zinc/34/39/98/1044343998.db2.gz SQDZVBCEWWGFJC-UHFFFAOYSA-N 1 0 319.452 4.252 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000348244241 1044346966 /nfs/dbraw/zinc/34/69/66/1044346966.db2.gz NCHWEVDWTSQALY-GOSISDBHSA-N 1 0 322.456 4.169 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288073 1044347128 /nfs/dbraw/zinc/34/71/28/1044347128.db2.gz QUARZUWJDDXTDG-PMACEKPBSA-N 1 0 300.490 4.233 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288076 1044347450 /nfs/dbraw/zinc/34/74/50/1044347450.db2.gz QUARZUWJDDXTDG-VQTJNVASSA-N 1 0 300.490 4.233 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000475317513 1044358068 /nfs/dbraw/zinc/35/80/68/1044358068.db2.gz ZZYFNYFFLJKTMB-CRAIPNDOSA-N 1 0 309.400 4.113 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1nc2ccc(Cl)cc2n1C ZINC000348249771 1044358425 /nfs/dbraw/zinc/35/84/25/1044358425.db2.gz ZCABARWBOJIHRV-GFCCVEGCSA-N 1 0 318.852 4.207 20 30 DIEDRO CCCCCCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000935960722 1044373711 /nfs/dbraw/zinc/37/37/11/1044373711.db2.gz DRWYYDBXLDCIOR-QGZVFWFLSA-N 1 0 320.477 4.283 20 30 DIEDRO CCc1ccccc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000564410497 1044375329 /nfs/dbraw/zinc/37/53/29/1044375329.db2.gz PROIVVYIOOLJRC-UHFFFAOYSA-N 1 0 318.342 4.429 20 30 DIEDRO N#CCCC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000564799651 1044404628 /nfs/dbraw/zinc/40/46/28/1044404628.db2.gz FTLXCUKHIGEJGP-UHFFFAOYSA-N 1 0 314.326 4.360 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000565458033 1044436983 /nfs/dbraw/zinc/43/69/83/1044436983.db2.gz LWZSUGACCQSOHY-BUVUWQSRSA-N 1 0 317.436 4.411 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000565797950 1044456802 /nfs/dbraw/zinc/45/68/02/1044456802.db2.gz GOQDESFMSWCDHD-DJKXOVBDSA-N 1 0 310.441 4.116 20 30 DIEDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)c1 ZINC000566077692 1044475062 /nfs/dbraw/zinc/47/50/62/1044475062.db2.gz SUVCNQSXFGUNMM-GOSISDBHSA-N 1 0 314.473 4.422 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000186556131 1044482470 /nfs/dbraw/zinc/48/24/70/1044482470.db2.gz MIZBMWKAEGMOEF-HNNXBMFYSA-N 1 0 323.415 4.335 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000118391792 1044483650 /nfs/dbraw/zinc/48/36/50/1044483650.db2.gz XRCIKTUNPITSEV-KRWDZBQOSA-N 1 0 320.436 4.300 20 30 DIEDRO CC(C)(C)OCc1cccc(C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000101932453 1044493645 /nfs/dbraw/zinc/49/36/45/1044493645.db2.gz LYBWUMFDWIOZII-UHFFFAOYSA-N 1 0 308.425 4.163 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475565713 1044506146 /nfs/dbraw/zinc/50/61/46/1044506146.db2.gz MFRSXYZBBPHOEY-CRAIPNDOSA-N 1 0 312.363 4.262 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)Cc2cnccc2C)cc1Cl ZINC000475567657 1044509521 /nfs/dbraw/zinc/50/95/21/1044509521.db2.gz LJYAINJCRFGCPN-UHFFFAOYSA-N 1 0 316.832 4.240 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@](C)(OC)CC2)cc1Cl ZINC000475572184 1044516335 /nfs/dbraw/zinc/51/63/35/1044516335.db2.gz OLODAGMXIUIODJ-GOSISDBHSA-N 1 0 323.864 4.296 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1OC)c1ccc(C#N)cc1 ZINC000566953954 1044529583 /nfs/dbraw/zinc/52/95/83/1044529583.db2.gz LEWTVJAGNVXYCB-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)cc1 ZINC000567234372 1044553629 /nfs/dbraw/zinc/55/36/29/1044553629.db2.gz XCXDXWOGCXLNMP-UHFFFAOYSA-N 1 0 320.436 4.364 20 30 DIEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362960352 1044569012 /nfs/dbraw/zinc/56/90/12/1044569012.db2.gz MLKYOZGHZHVVBJ-WMLDXEAASA-N 1 0 324.428 4.009 20 30 DIEDRO C=CC[N@@H+](CCCCC(C)(C)C#N)Cc1cccc([N+](=O)[O-])c1 ZINC000444587626 1044573790 /nfs/dbraw/zinc/57/37/90/1044573790.db2.gz AHUJNBHYBLALLP-UHFFFAOYSA-N 1 0 315.417 4.303 20 30 DIEDRO COCC[N@H+](CCCCC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000444622476 1044580717 /nfs/dbraw/zinc/58/07/17/1044580717.db2.gz VQVXNHQVYHYJDK-QGZVFWFLSA-N 1 0 302.462 4.416 20 30 DIEDRO C=CCC[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444680571 1044600013 /nfs/dbraw/zinc/60/00/13/1044600013.db2.gz PXSQLWSXSBOIAE-UHFFFAOYSA-N 1 0 304.437 4.394 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886099157 1044606136 /nfs/dbraw/zinc/60/61/36/1044606136.db2.gz VYKLMPPGIPLRIO-PKOBYXMFSA-N 1 0 310.441 4.017 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2cccc(Cl)c2n1 ZINC001137224924 1044607255 /nfs/dbraw/zinc/60/72/55/1044607255.db2.gz WJUHHMZJDCVCSP-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C[NH+](C)CCOc1cccc(Nc2cccc(C(C)(C)C#N)c2)c1 ZINC001212808160 1044616136 /nfs/dbraw/zinc/61/61/36/1044616136.db2.gz SLNVXFDGXBMQGY-UHFFFAOYSA-N 1 0 323.440 4.172 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CCC1 ZINC000444770816 1044622992 /nfs/dbraw/zinc/62/29/92/1044622992.db2.gz GABVQWCVKGAIMW-UHFFFAOYSA-N 1 0 308.372 4.170 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2nc3cccnc3s2)CCCC1(C)C ZINC000444777059 1044625979 /nfs/dbraw/zinc/62/59/79/1044625979.db2.gz RFFLGXMUQQBWHL-AWEZNQCLSA-N 1 0 301.459 4.258 20 30 DIEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2c(C)cccc2C)CCCC1(C)C ZINC000444786383 1044630392 /nfs/dbraw/zinc/63/03/92/1044630392.db2.gz NUGSCLNFWIAVCM-KRWDZBQOSA-N 1 0 314.473 4.309 20 30 DIEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCCSCC#N ZINC000444788478 1044630773 /nfs/dbraw/zinc/63/07/73/1044630773.db2.gz VSOIHKFKLLEAHR-AWEZNQCLSA-N 1 0 316.392 4.225 20 30 DIEDRO C=C(C)CN1CC2(CCC1=O)CC[NH+](CCC/C=C\CC)CC2 ZINC001275842653 1044631442 /nfs/dbraw/zinc/63/14/42/1044631442.db2.gz GBCVJJQRPAXBOC-WAYWQWQTSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCC[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000568535938 1044631837 /nfs/dbraw/zinc/63/18/37/1044631837.db2.gz GQYWKUNMTIKVNP-FQEVSTJZSA-N 1 0 311.425 4.153 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc2cccc(Cl)c2n1 ZINC001137228273 1044633643 /nfs/dbraw/zinc/63/36/43/1044633643.db2.gz MCHIDBKKQOIGFV-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C=CCCn1cc(C[NH2+][C@@H](CC)c2cccc3ccccc32)nn1 ZINC000886361549 1044634527 /nfs/dbraw/zinc/63/45/27/1044634527.db2.gz LPSRBNOVXQVWBH-FQEVSTJZSA-N 1 0 320.440 4.248 20 30 DIEDRO C=CCCn1cc(C[NH2+][C@H](CC)c2cccc3ccccc32)nn1 ZINC000886361550 1044634630 /nfs/dbraw/zinc/63/46/30/1044634630.db2.gz LPSRBNOVXQVWBH-HXUWFJFHSA-N 1 0 320.440 4.248 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000568806358 1044652473 /nfs/dbraw/zinc/65/24/73/1044652473.db2.gz GIUQBEPLAAHRDE-QGZVFWFLSA-N 1 0 318.342 4.069 20 30 DIEDRO CSCC1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000297053801 1044656907 /nfs/dbraw/zinc/65/69/07/1044656907.db2.gz VTBUJJYBVJRMEW-UHFFFAOYSA-N 1 0 300.471 4.059 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000523556794 1044658135 /nfs/dbraw/zinc/65/81/35/1044658135.db2.gz NHGJGDKSYXXDBT-INIZCTEOSA-N 1 0 320.452 4.023 20 30 DIEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC[C@@H](C)CC(C)(C)C ZINC001275889379 1044661313 /nfs/dbraw/zinc/66/13/13/1044661313.db2.gz OQDYMXGGIJSJNW-KZNAEPCWSA-N 1 0 320.521 4.090 20 30 DIEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC[C@H](C)CC(C)(C)C ZINC001275879433 1044661784 /nfs/dbraw/zinc/66/17/84/1044661784.db2.gz DPMJEPRPWBYZCH-FXAWDEMLSA-N 1 0 320.521 4.092 20 30 DIEDRO CCCCOc1ncccc1C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000568954239 1044661983 /nfs/dbraw/zinc/66/19/83/1044661983.db2.gz QJUBFSRVXKWTQT-LJQANCHMSA-N 1 0 323.440 4.373 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH2+][C@@H](CCSC)C(N)=O ZINC001257550930 1044666757 /nfs/dbraw/zinc/66/67/57/1044666757.db2.gz XVIVSDQHEKYRID-CVEARBPZSA-N 1 0 316.555 4.102 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000268797156 1044668043 /nfs/dbraw/zinc/66/80/43/1044668043.db2.gz IUQOVMPNVSXLQT-GJZGRUSLSA-N 1 0 322.408 4.131 20 30 DIEDRO C=C(C)C[N@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000523606085 1044669262 /nfs/dbraw/zinc/66/92/62/1044669262.db2.gz IEXFGVNZROAJAU-KRWDZBQOSA-N 1 0 303.446 4.067 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1ccc(C#N)cc1 ZINC000886690183 1044680981 /nfs/dbraw/zinc/68/09/81/1044680981.db2.gz QRUJECRTFVXMPS-SFHVURJKSA-N 1 0 321.449 4.393 20 30 DIEDRO COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886691310 1044681625 /nfs/dbraw/zinc/68/16/25/1044681625.db2.gz BBYOHCMGKKVRBT-GOSISDBHSA-N 1 0 324.449 4.066 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2cc(C)c(C)o2)cc1C#N ZINC000886690156 1044681879 /nfs/dbraw/zinc/68/18/79/1044681879.db2.gz QCUQDNDMFSOGLN-GFCCVEGCSA-N 1 0 300.427 4.341 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](c2cccnc2)C2CCC2)cc1C#N ZINC000886690539 1044681962 /nfs/dbraw/zinc/68/19/62/1044681962.db2.gz XQQPGZXDYNNEDK-IBGZPJMESA-N 1 0 323.465 4.306 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)CCC(F)(F)F)cc1C#N ZINC000886687717 1044682127 /nfs/dbraw/zinc/68/21/27/1044682127.db2.gz CXMCZWOJRXERRJ-JTQLQIEISA-N 1 0 302.365 4.101 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1ccc(C#N)cc1 ZINC000365805650 1044705568 /nfs/dbraw/zinc/70/55/68/1044705568.db2.gz MINYVZFHRLNMTA-RTBURBONSA-N 1 0 306.409 4.431 20 30 DIEDRO CC[N@H+](Cc1ccc2c(n1)CCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000569806772 1044714124 /nfs/dbraw/zinc/71/41/24/1044714124.db2.gz ABWTUHSVECEXOC-HNNXBMFYSA-N 1 0 305.425 4.025 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c(F)c1 ZINC000524043270 1044718087 /nfs/dbraw/zinc/71/80/87/1044718087.db2.gz CUGILJFQFLTGBQ-IBGZPJMESA-N 1 0 308.400 4.295 20 30 DIEDRO C[C@H]1CCC[N@H+](CCCCNc2cc(Cl)ccc2C#N)C1 ZINC000524053250 1044726799 /nfs/dbraw/zinc/72/67/99/1044726799.db2.gz ZUNURZGPLDTAHY-AWEZNQCLSA-N 1 0 305.853 4.136 20 30 DIEDRO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000367058752 1044730362 /nfs/dbraw/zinc/73/03/62/1044730362.db2.gz XGABISOXSQXSAZ-LJQANCHMSA-N 1 0 317.436 4.016 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000570263211 1044745145 /nfs/dbraw/zinc/74/51/45/1044745145.db2.gz SMOYVPJCXHLOIO-UHFFFAOYSA-N 1 0 316.470 4.414 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)c1ccco1 ZINC000367738001 1044753628 /nfs/dbraw/zinc/75/36/28/1044753628.db2.gz QVHUJXZBNFPABR-DLBZAZTESA-N 1 0 313.445 4.211 20 30 DIEDRO C=CCCCCCC[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000367897950 1044757793 /nfs/dbraw/zinc/75/77/93/1044757793.db2.gz WQNLALVLDJBPMX-FQEVSTJZSA-N 1 0 314.473 4.206 20 30 DIEDRO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000368082769 1044764747 /nfs/dbraw/zinc/76/47/47/1044764747.db2.gz ZNPMGVPCLKUZPN-OAHLLOKOSA-N 1 0 316.408 4.108 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000475633216 1044803896 /nfs/dbraw/zinc/80/38/96/1044803896.db2.gz GEOKKGATTPDLGO-MISXGVKJSA-N 1 0 302.245 4.217 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000571324779 1044807838 /nfs/dbraw/zinc/80/78/38/1044807838.db2.gz FDNYDHRDHLULOF-PMACEKPBSA-N 1 0 319.452 4.272 20 30 DIEDRO C[C@@H](c1cccnc1)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000127760672 1044827845 /nfs/dbraw/zinc/82/78/45/1044827845.db2.gz GPAHZIKVIIEPNV-AWEZNQCLSA-N 1 0 318.342 4.145 20 30 DIEDRO CCOc1ccc([C@@H]([NH2+]CCCCC#N)C(C)C)cc1OCC ZINC000263806918 1044832434 /nfs/dbraw/zinc/83/24/34/1044832434.db2.gz LLHAKPGHAQFJIJ-IBGZPJMESA-N 1 0 318.461 4.465 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H]2CF)c1 ZINC000572024173 1044839194 /nfs/dbraw/zinc/83/91/94/1044839194.db2.gz BZYFXWOAKJXPIV-IBGZPJMESA-N 1 0 324.399 4.071 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000572103893 1044842405 /nfs/dbraw/zinc/84/24/05/1044842405.db2.gz FIQBGARJKYHTKD-LJQANCHMSA-N 1 0 312.388 4.207 20 30 DIEDRO CCc1ccc([C@H](CC)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000572209391 1044848421 /nfs/dbraw/zinc/84/84/21/1044848421.db2.gz ZEPYRADHINQHRQ-IBGZPJMESA-N 1 0 308.425 4.370 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000572325093 1044853199 /nfs/dbraw/zinc/85/31/99/1044853199.db2.gz UHUDMHVEOGYPFJ-TXEJJXNPSA-N 1 0 302.365 4.173 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000130383562 1044862291 /nfs/dbraw/zinc/86/22/91/1044862291.db2.gz OLSHKKKEGFDNGS-OAQYLSRUSA-N 1 0 318.420 4.223 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000337164052 1044870277 /nfs/dbraw/zinc/87/02/77/1044870277.db2.gz XHXYATJTBVYBNE-QGZVFWFLSA-N 1 0 312.457 4.313 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1Cl ZINC000337186725 1044872484 /nfs/dbraw/zinc/87/24/84/1044872484.db2.gz PCRCFERUAUCJBR-UHFFFAOYSA-N 1 0 324.827 4.011 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)cc1 ZINC000264373570 1044875757 /nfs/dbraw/zinc/87/57/57/1044875757.db2.gz MJETZGVHMABFAX-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000572796946 1044878637 /nfs/dbraw/zinc/87/86/37/1044878637.db2.gz CFXIJEQESVGFNZ-SFHVURJKSA-N 1 0 312.388 4.289 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@]2(C)CCCO)cc1Cl ZINC000572921565 1044883871 /nfs/dbraw/zinc/88/38/71/1044883871.db2.gz PIQODDJJPPADRV-SFHVURJKSA-N 1 0 323.864 4.032 20 30 DIEDRO N#Cc1ccc(F)c(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000011234948 1044884789 /nfs/dbraw/zinc/88/47/89/1044884789.db2.gz AMEHHGMALKIJMO-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1ccc(C#N)cc1 ZINC000337405283 1044893415 /nfs/dbraw/zinc/89/34/15/1044893415.db2.gz SYOOTMWGUVNZQF-QSFXBCCZSA-N 1 0 305.425 4.330 20 30 DIEDRO CC(C)C[N@H+](Cc1cc2cccnc2o1)Cc1ccc(C#N)cc1 ZINC000573414361 1044907184 /nfs/dbraw/zinc/90/71/84/1044907184.db2.gz YUWKYHAWYLMQJP-UHFFFAOYSA-N 1 0 319.408 4.358 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337492257 1044908892 /nfs/dbraw/zinc/90/88/92/1044908892.db2.gz ADXXXLPZLIJCTL-VQTJNVASSA-N 1 0 324.468 4.265 20 30 DIEDRO CC1CCC([N@@H+](Cc2cccc(C#N)c2)C[C@@H]2CCCO2)CC1 ZINC000524757093 1044916243 /nfs/dbraw/zinc/91/62/43/1044916243.db2.gz CNPKKLJSPDRIMP-GQOXECLESA-N 1 0 312.457 4.118 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000337540269 1044916391 /nfs/dbraw/zinc/91/63/91/1044916391.db2.gz ICSLTMPQZSMNTM-BBWFWOEESA-N 1 0 320.383 4.076 20 30 DIEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H](SC)C(C)(C)C)cc1 ZINC000573771740 1044922559 /nfs/dbraw/zinc/92/25/59/1044922559.db2.gz SJUIOVZGWKVDLH-IAGOWNOFSA-N 1 0 320.502 4.407 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000574168749 1044942492 /nfs/dbraw/zinc/94/24/92/1044942492.db2.gz DUDBXCJEPJAXLR-PMACEKPBSA-N 1 0 305.425 4.030 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373117584 1044943168 /nfs/dbraw/zinc/94/31/68/1044943168.db2.gz IBVKUBWXQPJUEA-UHFFFAOYSA-N 1 0 307.441 4.367 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000574405094 1044953225 /nfs/dbraw/zinc/95/32/25/1044953225.db2.gz YPEDWLMOYUMQSL-OAHLLOKOSA-N 1 0 323.396 4.438 20 30 DIEDRO CN(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000574717367 1044966183 /nfs/dbraw/zinc/96/61/83/1044966183.db2.gz QYVTWZBUNAGIBO-ADKAHSJRSA-N 1 0 319.880 4.005 20 30 DIEDRO N#CC1(CCN2CCO[C@H](c3cccc(F)c3)C2)CCCCC1 ZINC000411216993 1044985334 /nfs/dbraw/zinc/98/53/34/1044985334.db2.gz KTHDNAJSVICQCW-SFHVURJKSA-N 1 0 316.420 4.063 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(O)c2nc(C)ccc12 ZINC000338293158 1044991267 /nfs/dbraw/zinc/99/12/67/1044991267.db2.gz WSHBEHPSHZTDOJ-UHFFFAOYSA-N 1 0 322.408 4.073 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccco1 ZINC000428447642 1044994747 /nfs/dbraw/zinc/99/47/47/1044994747.db2.gz MXZQAQJYGLWNFK-MRXNPFEDSA-N 1 0 323.396 4.169 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411366818 1045001296 /nfs/dbraw/zinc/00/12/96/1045001296.db2.gz QFBKWBUACQJCKT-OTWHNJEPSA-N 1 0 317.521 4.188 20 30 DIEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000411401881 1045006560 /nfs/dbraw/zinc/00/65/60/1045006560.db2.gz OAGFTAFQXULLLM-GJZGRUSLSA-N 1 0 306.837 4.123 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000411449377 1045009400 /nfs/dbraw/zinc/00/94/00/1045009400.db2.gz GBQGYYSTRPSBGD-AWEZNQCLSA-N 1 0 301.390 4.110 20 30 DIEDRO N#CC1(C[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000575858255 1045014037 /nfs/dbraw/zinc/01/40/37/1045014037.db2.gz QZMIVWCQJRIWCE-FQEVSTJZSA-N 1 0 304.437 4.124 20 30 DIEDRO COc1ccc2cc(C[NH+]3CCC(CCC#N)CC3)ccc2c1 ZINC000575923839 1045017791 /nfs/dbraw/zinc/01/77/91/1045017791.db2.gz MJENMOYQSSUGES-UHFFFAOYSA-N 1 0 308.425 4.364 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000151374372 1045022078 /nfs/dbraw/zinc/02/20/78/1045022078.db2.gz BQADMHPEZIPYBE-KRWDZBQOSA-N 1 0 312.800 4.215 20 30 DIEDRO C[C@H](CCC#N)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000411688844 1045025026 /nfs/dbraw/zinc/02/50/26/1045025026.db2.gz IYUBVFVYXMFUTG-CYBMUJFWSA-N 1 0 321.262 4.321 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccccc1 ZINC000411755864 1045029001 /nfs/dbraw/zinc/02/90/01/1045029001.db2.gz JMTFADNXGUMFKV-IBGZPJMESA-N 1 0 321.424 4.040 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H](OCC)c2ccccc2)c1 ZINC000446833431 1045049909 /nfs/dbraw/zinc/04/99/09/1045049909.db2.gz CSWNRJOVCQCMAO-FQEVSTJZSA-N 1 0 311.425 4.119 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](OCC)c1ccccc1 ZINC000446857720 1045056928 /nfs/dbraw/zinc/05/69/28/1045056928.db2.gz WVTCKYMHHQRIPH-HXUWFJFHSA-N 1 0 311.425 4.119 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000047697888 1045082905 /nfs/dbraw/zinc/08/29/05/1045082905.db2.gz HTHUELQJKLFIFT-HNNXBMFYSA-N 1 0 306.409 4.025 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001126624791 1045105984 /nfs/dbraw/zinc/10/59/84/1045105984.db2.gz GDTKRDJWJAQFSS-KSZLIROESA-N 1 0 310.526 4.362 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000577396940 1045121127 /nfs/dbraw/zinc/12/11/27/1045121127.db2.gz SQKSKAOPACVWDV-UHFFFAOYSA-N 1 0 305.425 4.264 20 30 DIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000577480727 1045127381 /nfs/dbraw/zinc/12/73/81/1045127381.db2.gz QAYQJMNYBRBGNK-UHFFFAOYSA-N 1 0 317.436 4.016 20 30 DIEDRO Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000447529637 1045137077 /nfs/dbraw/zinc/13/70/77/1045137077.db2.gz MIUOIRFYZFRDHL-DZGCQCFKSA-N 1 0 321.262 4.238 20 30 DIEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnn([C@H](C)C#N)c2)cc1 ZINC000600773867 1045137886 /nfs/dbraw/zinc/13/78/86/1045137886.db2.gz DZRBMCARZVMKAV-DNVCBOLYSA-N 1 0 308.429 4.009 20 30 DIEDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000447537233 1045141527 /nfs/dbraw/zinc/14/15/27/1045141527.db2.gz UFCQKBGMYAGPPH-ROUUACIJSA-N 1 0 310.445 4.101 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)ccc1OC(C)C ZINC000447545628 1045143044 /nfs/dbraw/zinc/14/30/44/1045143044.db2.gz RZPJYJXCJPNUGU-ZOBUZTSGSA-N 1 0 316.445 4.215 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)[C@@H]1COc2ccccc21)c1ccc(C#N)cc1 ZINC000447574643 1045147407 /nfs/dbraw/zinc/14/74/07/1045147407.db2.gz OAAQQLXWLNXCRV-CCKFTAQKSA-N 1 0 306.409 4.164 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000447574842 1045147429 /nfs/dbraw/zinc/14/74/29/1045147429.db2.gz OXOVYHQHQOGJOM-FUHWJXTLSA-N 1 0 322.456 4.168 20 30 DIEDRO C[C@H]1C[C@H](C)[NH+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000525996954 1045147726 /nfs/dbraw/zinc/14/77/26/1045147726.db2.gz ZOVIWKNVIOZUMA-HOTGVXAUSA-N 1 0 306.409 4.120 20 30 DIEDRO N#Cc1cc(F)cc(NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000600855901 1045149722 /nfs/dbraw/zinc/14/97/22/1045149722.db2.gz HDEJBPXHTGTDBA-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO CC[C@H]([NH2+][C@H](COC)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447587495 1045152734 /nfs/dbraw/zinc/15/27/34/1045152734.db2.gz RHTXYNQVVSHLFO-RBUKOAKNSA-N 1 0 312.388 4.126 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447586030 1045153454 /nfs/dbraw/zinc/15/34/54/1045153454.db2.gz MJRBPKDNWHELRO-FOIQADDNSA-N 1 0 308.425 4.239 20 30 DIEDRO N#C[C@H]1CCC[C@@H](Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000447575129 1045156526 /nfs/dbraw/zinc/15/65/26/1045156526.db2.gz QNRJCLRAHOCIDB-AZUAARDMSA-N 1 0 311.473 4.209 20 30 DIEDRO CC[C@@H]([NH2+]CCCNc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447600610 1045160697 /nfs/dbraw/zinc/16/06/97/1045160697.db2.gz NDOVXHVKQVFFTE-LJQANCHMSA-N 1 0 311.404 4.240 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+](C)C1CCN(C(=O)OCC)CC1 ZINC001258049298 1045166385 /nfs/dbraw/zinc/16/63/85/1045166385.db2.gz DLYAJLKVXGPWHR-MRXNPFEDSA-N 1 0 312.498 4.288 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1 ZINC000601123790 1045190360 /nfs/dbraw/zinc/19/03/60/1045190360.db2.gz JOPCBOLKBZIFBT-FQEVSTJZSA-N 1 0 322.456 4.208 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C(F)F)nc1 ZINC000601127251 1045190753 /nfs/dbraw/zinc/19/07/53/1045190753.db2.gz CZBSWJWUIFRSMR-INIZCTEOSA-N 1 0 313.351 4.058 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1csc(C(F)(F)F)c1 ZINC000924694842 1045191219 /nfs/dbraw/zinc/19/12/19/1045191219.db2.gz AOVVRCCHZKGADC-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000048331278 1045192351 /nfs/dbraw/zinc/19/23/51/1045192351.db2.gz XDKFXVPJRZWNSC-UHFFFAOYSA-N 1 0 320.845 4.174 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000924787366 1045197761 /nfs/dbraw/zinc/19/77/61/1045197761.db2.gz WRWVEDPPIMETKQ-GJZGRUSLSA-N 1 0 308.425 4.197 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(C)ccc1OC ZINC000578012736 1045199158 /nfs/dbraw/zinc/19/91/58/1045199158.db2.gz WRQLBTFFXXVUAZ-IBGZPJMESA-N 1 0 308.425 4.311 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000924806946 1045199885 /nfs/dbraw/zinc/19/98/85/1045199885.db2.gz RQGIGMMAGBMHOY-GJZGRUSLSA-N 1 0 319.880 4.084 20 30 DIEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924816065 1045201067 /nfs/dbraw/zinc/20/10/67/1045201067.db2.gz VJBABGHFYVTWNY-INIZCTEOSA-N 1 0 324.472 4.031 20 30 DIEDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000601282025 1045209665 /nfs/dbraw/zinc/20/96/65/1045209665.db2.gz YQEADVMWFMRMFW-LEWJYISDSA-N 1 0 318.420 4.221 20 30 DIEDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC000924939490 1045212774 /nfs/dbraw/zinc/21/27/74/1045212774.db2.gz SWUPIRVBIWRBPI-LSDHHAIUSA-N 1 0 320.502 4.404 20 30 DIEDRO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)s3)oc21 ZINC000557664021 1045217017 /nfs/dbraw/zinc/21/70/17/1045217017.db2.gz GRGRRGBCXCLUSI-LLVKDONJSA-N 1 0 312.394 4.225 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)N[C@@H](C)c1ccccc1 ZINC000925057761 1045222239 /nfs/dbraw/zinc/22/22/39/1045222239.db2.gz MAHPFEXQSSVGHC-HOTGVXAUSA-N 1 0 301.478 4.034 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000557753804 1045227818 /nfs/dbraw/zinc/22/78/18/1045227818.db2.gz KMHMKRNCKKTXIX-CYBMUJFWSA-N 1 0 300.427 4.259 20 30 DIEDRO N#CCC[C@H](C#N)CN[C@H](Cc1ccccc1)c1ccccc1F ZINC000578316350 1045231432 /nfs/dbraw/zinc/23/14/32/1045231432.db2.gz XNNNUZRZPMUAKD-YLJYHZDGSA-N 1 0 321.399 4.143 20 30 DIEDRO CC1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000578365774 1045235729 /nfs/dbraw/zinc/23/57/29/1045235729.db2.gz BMQVVYOIWNKQKU-PBHICJAKSA-N 1 0 302.849 4.386 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CC3CCCCCC3)CCOCC2)cc1 ZINC000527809755 1045262417 /nfs/dbraw/zinc/26/24/17/1045262417.db2.gz LUPUFJRCMIMOLL-UHFFFAOYSA-N 1 0 312.457 4.124 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCOCc1ccccc1 ZINC000578679068 1045263316 /nfs/dbraw/zinc/26/33/16/1045263316.db2.gz XCDAVCMNYMIBPO-KRWDZBQOSA-N 1 0 308.425 4.158 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCOCc1ccccc1 ZINC000578679069 1045263610 /nfs/dbraw/zinc/26/36/10/1045263610.db2.gz XCDAVCMNYMIBPO-QGZVFWFLSA-N 1 0 308.425 4.158 20 30 DIEDRO CCCCCCCC[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000779089295 1045264223 /nfs/dbraw/zinc/26/42/23/1045264223.db2.gz ZOGLLRCFNMMPSD-FQEVSTJZSA-N 1 0 316.489 4.430 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000578919011 1045282295 /nfs/dbraw/zinc/28/22/95/1045282295.db2.gz RFHBOAXMKZLSNV-HZPDHXFCSA-N 1 0 320.436 4.338 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000578940321 1045283766 /nfs/dbraw/zinc/28/37/66/1045283766.db2.gz BISAQVGYEXKEIB-CTNGQTDRSA-N 1 0 323.436 4.261 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000578985002 1045285457 /nfs/dbraw/zinc/28/54/57/1045285457.db2.gz OAWHSFATRBNVGV-HZPDHXFCSA-N 1 0 322.493 4.006 20 30 DIEDRO C[C@H](OCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000579413384 1045314304 /nfs/dbraw/zinc/31/43/04/1045314304.db2.gz MTPTXRIBYXKLNT-HRAATJIYSA-N 1 0 320.436 4.303 20 30 DIEDRO CCCCCCC[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000779148819 1045318398 /nfs/dbraw/zinc/31/83/98/1045318398.db2.gz BLUKCKJLTWNQDS-IBGZPJMESA-N 1 0 302.462 4.040 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1SCCc3ccccc31)CC2 ZINC000579652354 1045328950 /nfs/dbraw/zinc/32/89/50/1045328950.db2.gz ZICQGRZYVABCNK-UXHICEINSA-N 1 0 320.461 4.166 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187780827 1045331162 /nfs/dbraw/zinc/33/11/62/1045331162.db2.gz PEZKHDQCABPELX-MSOLQXFVSA-N 1 0 321.342 4.044 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000189159616 1045342793 /nfs/dbraw/zinc/34/27/93/1045342793.db2.gz MONWSOJYNGTMMF-PMACEKPBSA-N 1 0 320.436 4.090 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000449075063 1045344551 /nfs/dbraw/zinc/34/45/51/1045344551.db2.gz MFWIVGYEPLDBLG-QGZVFWFLSA-N 1 0 314.473 4.034 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C#N)cc1 ZINC000449076121 1045345695 /nfs/dbraw/zinc/34/56/95/1045345695.db2.gz SMLCGGQRTLAEQK-ZUZCIYMTSA-N 1 0 316.326 4.314 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCc2ccccc2Br)CC1 ZINC000449103666 1045346832 /nfs/dbraw/zinc/34/68/32/1045346832.db2.gz BSLWFPAZYGJWAS-UHFFFAOYSA-N 1 0 321.262 4.054 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449105859 1045347822 /nfs/dbraw/zinc/34/78/22/1045347822.db2.gz JMZJYCUPAPFOLS-LSJNQWAISA-N 1 0 300.446 4.078 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C12CCCCC2 ZINC000449152346 1045351723 /nfs/dbraw/zinc/35/17/23/1045351723.db2.gz DWUVQGBULNQOCE-UMQBVGHOSA-N 1 0 304.478 4.176 20 30 DIEDRO CC(C)c1ccccc1OCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449158478 1045352829 /nfs/dbraw/zinc/35/28/29/1045352829.db2.gz UFSTUDIXMANZNI-UHFFFAOYSA-N 1 0 300.446 4.251 20 30 DIEDRO CO[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)c1cccc(Cl)c1 ZINC000449173826 1045355007 /nfs/dbraw/zinc/35/50/07/1045355007.db2.gz LPGHQTACEAROMP-CGZBRXJRSA-N 1 0 306.837 4.090 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000449183594 1045358808 /nfs/dbraw/zinc/35/88/08/1045358808.db2.gz GHJLTURFZNINKC-AWEZNQCLSA-N 1 0 301.459 4.430 20 30 DIEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCC#N)c1ccccc1 ZINC000449201535 1045362582 /nfs/dbraw/zinc/36/25/82/1045362582.db2.gz IOLZAJCBKLNCNW-MAUKXSAKSA-N 1 0 323.396 4.160 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000449220739 1045364014 /nfs/dbraw/zinc/36/40/14/1045364014.db2.gz RGGKQIRFVBJWBJ-KRWDZBQOSA-N 1 0 302.462 4.275 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCCOc3c(F)cccc32)CC1 ZINC000449228713 1045365528 /nfs/dbraw/zinc/36/55/28/1045365528.db2.gz UZNHYZHNAJTGEU-MNQCNDSGSA-N 1 0 302.393 4.101 20 30 DIEDRO COc1ccc(C2(C[NH2+]C3CCC(C)(C#N)CC3)CCC2)cc1 ZINC000449237980 1045368041 /nfs/dbraw/zinc/36/80/41/1045368041.db2.gz DUNYVKRCLAXLCO-UHFFFAOYSA-N 1 0 312.457 4.179 20 30 DIEDRO Cc1ccccc1[C@H]([C@H](C)[NH2+]C1CCC(C)(C#N)CC1)N(C)C ZINC000449268204 1045370430 /nfs/dbraw/zinc/37/04/30/1045370430.db2.gz FCOQNZJULWRIAL-YMPIPDKKSA-N 1 0 313.489 4.048 20 30 DIEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449302499 1045373335 /nfs/dbraw/zinc/37/33/35/1045373335.db2.gz VLZNKLREVXLUJZ-QGLXBCBXSA-N 1 0 306.494 4.422 20 30 DIEDRO COCCC[C@H](Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449294530 1045374387 /nfs/dbraw/zinc/37/43/87/1045374387.db2.gz MBKDTAUHQNHAQM-IOJLRTSASA-N 1 0 314.473 4.086 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000449341721 1045377881 /nfs/dbraw/zinc/37/78/81/1045377881.db2.gz WCHSKXZGUWSJED-VXGBXAGGSA-N 1 0 312.255 4.025 20 30 DIEDRO CCCCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1OC ZINC000077170563 1045381537 /nfs/dbraw/zinc/38/15/37/1045381537.db2.gz FOIZSYFCUXEOEQ-UHFFFAOYSA-N 1 0 324.424 4.036 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)o1 ZINC000449447954 1045394674 /nfs/dbraw/zinc/39/46/74/1045394674.db2.gz CRKKZYQRGKWFRJ-INIZCTEOSA-N 1 0 304.752 4.185 20 30 DIEDRO C=CCC[C@@H](CC)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000449472375 1045397734 /nfs/dbraw/zinc/39/77/34/1045397734.db2.gz POONCLKBMBLSGG-QGZVFWFLSA-N 1 0 302.466 4.083 20 30 DIEDRO CC(C)CCn1nc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000449488972 1045402311 /nfs/dbraw/zinc/40/23/11/1045402311.db2.gz MUBUXDBIFOXBCY-SJORKVTESA-N 1 0 324.472 4.254 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000449520238 1045406896 /nfs/dbraw/zinc/40/68/96/1045406896.db2.gz OWKPLTQZYKKGFS-QLZIMGNHSA-N 1 0 311.347 4.042 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528737820 1045407002 /nfs/dbraw/zinc/40/70/02/1045407002.db2.gz XNKITKSJMCHURZ-HXUWFJFHSA-N 1 0 312.457 4.176 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449582414 1045416925 /nfs/dbraw/zinc/41/69/25/1045416925.db2.gz GBFVOTVHLOSKEP-XKZABGERSA-N 1 0 308.347 4.153 20 30 DIEDRO CCCc1ncc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)o1 ZINC000449615511 1045419465 /nfs/dbraw/zinc/41/94/65/1045419465.db2.gz ZDWSXUQHNVECJG-UHFFFAOYSA-N 1 0 323.440 4.121 20 30 DIEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000449664642 1045425743 /nfs/dbraw/zinc/42/57/43/1045425743.db2.gz CLHAITLQNURBAP-HXUWFJFHSA-N 1 0 311.473 4.085 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000449770429 1045435153 /nfs/dbraw/zinc/43/51/53/1045435153.db2.gz ITWBAXUROVZOAN-TZMCWYRMSA-N 1 0 317.845 4.094 20 30 DIEDRO COc1ccc([C@H]([NH2+]C2CCC(C)(C#N)CC2)c2ccco2)cc1 ZINC000449769271 1045435751 /nfs/dbraw/zinc/43/57/51/1045435751.db2.gz DBJPQVIAPAXWIG-AJPWXKBRSA-N 1 0 324.424 4.440 20 30 DIEDRO C=CCC1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000450051021 1045462807 /nfs/dbraw/zinc/46/28/07/1045462807.db2.gz VILQIWIZQVKYDT-UHFFFAOYSA-N 1 0 318.505 4.036 20 30 DIEDRO CC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1 ZINC000347352347 1045483766 /nfs/dbraw/zinc/48/37/66/1045483766.db2.gz CLPSUNSSPWMRBO-QGZVFWFLSA-N 1 0 318.342 4.193 20 30 DIEDRO COc1cccc([C@H]2C[N@H+](CC(C)(C)CCC#N)CC2(C)C)c1 ZINC000529638482 1045504351 /nfs/dbraw/zinc/50/43/51/1045504351.db2.gz DSKFXPDXCSDFJZ-GOSISDBHSA-N 1 0 314.473 4.451 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCCc2cnn(C(C)C)c21 ZINC001119613796 1045518817 /nfs/dbraw/zinc/51/88/17/1045518817.db2.gz MUETYNFSZKSXHC-IBGZPJMESA-N 1 0 322.456 4.120 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC001120249333 1045535205 /nfs/dbraw/zinc/53/52/05/1045535205.db2.gz JOBOOSHRWQBYMZ-PBHICJAKSA-N 1 0 319.399 4.122 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC[C@@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000450673729 1045543124 /nfs/dbraw/zinc/54/31/24/1045543124.db2.gz ACQIJURTVIFIAM-CJNGLKHVSA-N 1 0 315.379 4.463 20 30 DIEDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450715597 1045551635 /nfs/dbraw/zinc/55/16/35/1045551635.db2.gz JGKAYYJWACDAGT-HOTGVXAUSA-N 1 0 308.425 4.037 20 30 DIEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000450730161 1045554459 /nfs/dbraw/zinc/55/44/59/1045554459.db2.gz VPKBSIJHKOJFDG-QWHCGFSZSA-N 1 0 310.363 4.481 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000113961442 1045564209 /nfs/dbraw/zinc/56/42/09/1045564209.db2.gz PBGBYSUTZIUAGK-INIZCTEOSA-N 1 0 314.816 4.311 20 30 DIEDRO N#Cc1ccccc1C[N@H+](CCCCCCO)Cc1ccccc1 ZINC001204373496 1045565361 /nfs/dbraw/zinc/56/53/61/1045565361.db2.gz VJXURGDBYMOLEQ-UHFFFAOYSA-N 1 0 322.452 4.113 20 30 DIEDRO CC[N@H+](Cc1cnc(C2CC2)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119879793 1045580805 /nfs/dbraw/zinc/58/08/05/1045580805.db2.gz ZLVZERZQVSXGKL-ZDUSSCGKSA-N 1 0 311.454 4.475 20 30 DIEDRO C=C(C)C[N@H+](CC/C=C\c1ccccc1)Cc1ccc(CO)o1 ZINC000450983580 1045605246 /nfs/dbraw/zinc/60/52/46/1045605246.db2.gz RKXGUOFGUBHBLJ-POHAHGRESA-N 1 0 311.425 4.254 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCC(F)(F)C1 ZINC000450984131 1045605928 /nfs/dbraw/zinc/60/59/28/1045605928.db2.gz UFOJVKOQWNTEQY-OAHLLOKOSA-N 1 0 311.420 4.278 20 30 DIEDRO N#CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccccc1 ZINC000800368501 1045611582 /nfs/dbraw/zinc/61/15/82/1045611582.db2.gz RCCMELQAMVSYOW-MSOLQXFVSA-N 1 0 314.816 4.008 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1 ZINC000800482879 1045627184 /nfs/dbraw/zinc/62/71/84/1045627184.db2.gz OVDREZDEISZAMD-JBACZVJFSA-N 1 0 304.437 4.462 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000451119095 1045629313 /nfs/dbraw/zinc/62/93/13/1045629313.db2.gz YXURQMNZVPCWJX-AWEZNQCLSA-N 1 0 306.409 4.295 20 30 DIEDRO Cc1cccc(-c2cccc(C[NH2+]Cc3cc(C#N)n(C)c3)c2)c1 ZINC000190929851 1045630370 /nfs/dbraw/zinc/63/03/70/1045630370.db2.gz ADQDQTQNROUAND-UHFFFAOYSA-N 1 0 315.420 4.162 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1 ZINC000800493061 1045631943 /nfs/dbraw/zinc/63/19/43/1045631943.db2.gz IGIUWNGCABJMJN-HUUCEWRRSA-N 1 0 307.384 4.175 20 30 DIEDRO C=C(CC)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC001168127764 1045637692 /nfs/dbraw/zinc/63/76/92/1045637692.db2.gz ZDNKJWXMGVXORU-OAQYLSRUSA-N 1 0 309.453 4.497 20 30 DIEDRO C=C(CC)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC001168127763 1045637893 /nfs/dbraw/zinc/63/78/93/1045637893.db2.gz ZDNKJWXMGVXORU-NRFANRHFSA-N 1 0 309.453 4.497 20 30 DIEDRO N#Cc1ccc(F)c(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1 ZINC000752093982 1045658629 /nfs/dbraw/zinc/65/86/29/1045658629.db2.gz OICCLSJMYGHANJ-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000451301552 1045663125 /nfs/dbraw/zinc/66/31/25/1045663125.db2.gz XMPWIUKPRDNOKT-HOTGVXAUSA-N 1 0 310.363 4.353 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC000800896119 1045664406 /nfs/dbraw/zinc/66/44/06/1045664406.db2.gz ZDKFATXNJBBRHZ-QWHCGFSZSA-N 1 0 316.754 4.422 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000530464287 1045669951 /nfs/dbraw/zinc/66/99/51/1045669951.db2.gz QWDASGZWUACRBQ-FXAWDEMLSA-N 1 0 308.400 4.198 20 30 DIEDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441491704 1045688839 /nfs/dbraw/zinc/68/88/39/1045688839.db2.gz OZENRJQYGRETHW-ZIAGYGMSSA-N 1 0 324.428 4.007 20 30 DIEDRO CC1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000530729497 1045720294 /nfs/dbraw/zinc/72/02/94/1045720294.db2.gz DDAVACBZTXJJIJ-UHFFFAOYSA-N 1 0 306.409 4.027 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000475672688 1045723335 /nfs/dbraw/zinc/72/33/35/1045723335.db2.gz ZZLXDBGOWLSSFN-CTYIDZIISA-N 1 0 302.830 4.309 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000191683068 1045748337 /nfs/dbraw/zinc/74/83/37/1045748337.db2.gz XLKUHTABVMQBNE-UHFFFAOYSA-N 1 0 319.452 4.204 20 30 DIEDRO CCCC[N@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1OC ZINC000801597153 1045751596 /nfs/dbraw/zinc/75/15/96/1045751596.db2.gz CMKTVJCVMZHUEV-UHFFFAOYSA-N 1 0 324.424 4.075 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cccc(F)c3C#N)C2)c1 ZINC000452019284 1045760445 /nfs/dbraw/zinc/76/04/45/1045760445.db2.gz PSJFVNQZVKJMJD-QAQDUYKDSA-N 1 0 324.399 4.084 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccc(C#N)c(F)c3)C2)c1 ZINC000452018747 1045760711 /nfs/dbraw/zinc/76/07/11/1045760711.db2.gz PFADRZXPYGBDSK-IYARVYRRSA-N 1 0 324.399 4.084 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)ccc1OC ZINC000753677905 1045788503 /nfs/dbraw/zinc/78/85/03/1045788503.db2.gz BADNFZRUNYJQFZ-CVEARBPZSA-N 1 0 316.445 4.044 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCc2c1c(F)ccc2F)c1ccncc1 ZINC000753857722 1045813526 /nfs/dbraw/zinc/81/35/26/1045813526.db2.gz ICTLEIHYUZHTBB-SJORKVTESA-N 1 0 300.352 4.254 20 30 DIEDRO CCCCc1oc2ccccc2c1C[N@H+](C)CCO[C@H](C)C#N ZINC000801909965 1045835698 /nfs/dbraw/zinc/83/56/98/1045835698.db2.gz JCODFQLPSIEGIF-OAHLLOKOSA-N 1 0 314.429 4.136 20 30 DIEDRO C[C@H](c1ccc2ccccc2c1)[N@@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801918500 1045836944 /nfs/dbraw/zinc/83/69/44/1045836944.db2.gz PHVTVQKBERVHKN-JKSUJKDBSA-N 1 0 308.425 4.294 20 30 DIEDRO C=CCc1cc(C[NH2+]Cc2csc(C)c2C)cc(OC)c1O ZINC000631205516 1045836781 /nfs/dbraw/zinc/83/67/81/1045836781.db2.gz BGKDBSZOCCIJGR-UHFFFAOYSA-N 1 0 317.454 4.097 20 30 DIEDRO C[C@@H](C#N)OCC[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000801921639 1045839904 /nfs/dbraw/zinc/83/99/04/1045839904.db2.gz IEKSFTFRTSOZBQ-WMLDXEAASA-N 1 0 306.837 4.186 20 30 DIEDRO CC(C)(C)SCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000801925274 1045846241 /nfs/dbraw/zinc/84/62/41/1045846241.db2.gz KORJZIMLUUWGQL-IRXDYDNUSA-N 1 0 302.487 4.290 20 30 DIEDRO CC(C)Cc1ccc([C@H]([NH2+]CCO[C@H](C)C#N)C(C)C)cc1 ZINC000801929706 1045848648 /nfs/dbraw/zinc/84/86/48/1045848648.db2.gz TUAPOYJMBQJGPG-VQIMIIECSA-N 1 0 302.462 4.100 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000801932389 1045851332 /nfs/dbraw/zinc/85/13/32/1045851332.db2.gz ZCDOFTMKXQOREJ-AWEZNQCLSA-N 1 0 306.837 4.018 20 30 DIEDRO CC(C)CC[C@H]([NH2+]CCO[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000801937525 1045853331 /nfs/dbraw/zinc/85/33/31/1045853331.db2.gz PGYGOZUVHSPBQU-PBHICJAKSA-N 1 0 308.853 4.336 20 30 DIEDRO CC(C)(C)SCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000801939800 1045853791 /nfs/dbraw/zinc/85/37/91/1045853791.db2.gz HNYGGIVZMFGUSB-UHFFFAOYSA-N 1 0 300.471 4.179 20 30 DIEDRO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000754155026 1045856459 /nfs/dbraw/zinc/85/64/59/1045856459.db2.gz UGFWIUQTQHNRJK-OAHLLOKOSA-N 1 0 312.388 4.057 20 30 DIEDRO C#CCC[NH2+][C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801954675 1045859547 /nfs/dbraw/zinc/85/95/47/1045859547.db2.gz HPDFRPQDLIVINO-SJORKVTESA-N 1 0 322.855 4.006 20 30 DIEDRO CC(C)C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000754295886 1045871057 /nfs/dbraw/zinc/87/10/57/1045871057.db2.gz JLABPRGVIKWESC-IAGOWNOFSA-N 1 0 314.454 4.030 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237556068 1045873443 /nfs/dbraw/zinc/87/34/43/1045873443.db2.gz NHJOHEDQFUXOSB-LBPRGKRZSA-N 1 0 316.332 4.190 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]CC2CCCCCC2)c1 ZINC000754341909 1045877637 /nfs/dbraw/zinc/87/76/37/1045877637.db2.gz MBGLLRYMEHPXRI-GOSISDBHSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000631679226 1045902603 /nfs/dbraw/zinc/90/26/03/1045902603.db2.gz FKJHEKZWTPGSCR-CYBMUJFWSA-N 1 0 310.507 4.283 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)s1 ZINC000754669415 1045907024 /nfs/dbraw/zinc/90/70/24/1045907024.db2.gz IENIZMJJGMMIPG-GFCCVEGCSA-N 1 0 320.845 4.463 20 30 DIEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(Br)cc1 ZINC000828629917 1045923737 /nfs/dbraw/zinc/92/37/37/1045923737.db2.gz XQSAJLWIUWOCMM-CQSZACIVSA-N 1 0 307.235 4.184 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@H+](C)Cc2ccc(C)s2)c1O ZINC000754726693 1045921527 /nfs/dbraw/zinc/92/15/27/1045921527.db2.gz MSUUYPJCVVZCAX-UHFFFAOYSA-N 1 0 317.454 4.131 20 30 DIEDRO C=CCc1cc(C[N@H+](C)Cc2cccc(C)c2)c(O)c(OC)c1 ZINC000754727665 1045921643 /nfs/dbraw/zinc/92/16/43/1045921643.db2.gz MKQKBUWMFUKFGD-UHFFFAOYSA-N 1 0 311.425 4.070 20 30 DIEDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000754737776 1045924118 /nfs/dbraw/zinc/92/41/18/1045924118.db2.gz VFDSBOUALWRNGO-WOJBJXKFSA-N 1 0 320.436 4.281 20 30 DIEDRO CCCCCCCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192775292 1045930821 /nfs/dbraw/zinc/93/08/21/1045930821.db2.gz PVRLPHZGUPPVOM-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccccc2)C2CCC2)c(C#N)c1 ZINC001137706580 1045939430 /nfs/dbraw/zinc/93/94/30/1045939430.db2.gz IJMPWGIFESUSGG-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000755100074 1045953103 /nfs/dbraw/zinc/95/31/03/1045953103.db2.gz DYVNBGRNCYCNMK-HNNXBMFYSA-N 1 0 301.434 4.281 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC[C@H]2CC)c1 ZINC000779642191 1045958020 /nfs/dbraw/zinc/95/80/20/1045958020.db2.gz ODWQMPMFVWXYDC-ZHALLVOQSA-N 1 0 300.446 4.426 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc2nc(C)sc2c1)c1ccccc1 ZINC000755211516 1045963748 /nfs/dbraw/zinc/96/37/48/1045963748.db2.gz MKXJMACSUAWBHK-KRWDZBQOSA-N 1 0 306.434 4.459 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccccc1C(=O)OC ZINC001137789312 1045966192 /nfs/dbraw/zinc/96/61/92/1045966192.db2.gz OKHPSLHEMRLNTQ-UHFFFAOYSA-N 1 0 309.409 4.052 20 30 DIEDRO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C)n1-c1ccccc1 ZINC001137859100 1045988075 /nfs/dbraw/zinc/98/80/75/1045988075.db2.gz IRRCBYSVSNXNML-ZNDPDKIASA-N 1 0 319.452 4.361 20 30 DIEDRO Cc1ccc(N(C)c2ccc(C[NH+]3CCC(C#N)CC3)cc2)cc1 ZINC001137894994 1046001156 /nfs/dbraw/zinc/00/11/56/1046001156.db2.gz KGJVFKHPDXKHAZ-UHFFFAOYSA-N 1 0 319.452 4.499 20 30 DIEDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137899667 1046003739 /nfs/dbraw/zinc/00/37/39/1046003739.db2.gz BZEPNRIZVODWRX-QAPCUYQASA-N 1 0 323.415 4.258 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC001137902535 1046004177 /nfs/dbraw/zinc/00/41/77/1046004177.db2.gz HHMYNNTTWXJKQT-GOSISDBHSA-N 1 0 323.415 4.260 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000829779435 1046008031 /nfs/dbraw/zinc/00/80/31/1046008031.db2.gz USGMOYBCERKTMR-KBPBESRZSA-N 1 0 317.383 4.228 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000453291700 1046018623 /nfs/dbraw/zinc/01/86/23/1046018623.db2.gz NGYARAAFPZXLIZ-QSFXBCCZSA-N 1 0 324.468 4.451 20 30 DIEDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453295187 1046019353 /nfs/dbraw/zinc/01/93/53/1046019353.db2.gz RXLXUGYOGWGPEQ-UBHSHLNASA-N 1 0 305.491 4.482 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H](C)C(C)(C)C)ccc1OC ZINC000802644154 1046021438 /nfs/dbraw/zinc/02/14/38/1046021438.db2.gz TZZYLCDILCJVMY-GDBMZVCRSA-N 1 0 318.461 4.148 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000453304657 1046025772 /nfs/dbraw/zinc/02/57/72/1046025772.db2.gz GGCDDGABDBOPRD-KRWDZBQOSA-N 1 0 302.368 4.251 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@H](C)C2CCCCC2)cc1 ZINC000802659400 1046028938 /nfs/dbraw/zinc/02/89/38/1046028938.db2.gz SDJFESOVPZIPJG-HZPDHXFCSA-N 1 0 300.446 4.378 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000453313776 1046031748 /nfs/dbraw/zinc/03/17/48/1046031748.db2.gz WYBUMDJDSXNJMM-OAHLLOKOSA-N 1 0 317.477 4.423 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)cc1C#N ZINC000756044442 1046043981 /nfs/dbraw/zinc/04/39/81/1046043981.db2.gz ZOJKVIMEBMTROW-AWEZNQCLSA-N 1 0 320.392 4.472 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CCCC1 ZINC000453340268 1046043993 /nfs/dbraw/zinc/04/39/93/1046043993.db2.gz BNUSKIPHXSHWFD-YCRPNKLZSA-N 1 0 305.487 4.211 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH+]2CCC(Cc3c(F)cccc3F)CC2)C1 ZINC000453346666 1046049510 /nfs/dbraw/zinc/04/95/10/1046049510.db2.gz FWIJWKHRDLHLHV-JKSUJKDBSA-N 1 0 318.411 4.302 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000453347086 1046049890 /nfs/dbraw/zinc/04/98/90/1046049890.db2.gz HIEQBHSXVMSAKQ-WQVCFCJDSA-N 1 0 309.837 4.121 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1cccc(C#N)c1 ZINC000902728188 1046052310 /nfs/dbraw/zinc/05/23/10/1046052310.db2.gz NDWZBYYJEPRRJN-IFXJQAMLSA-N 1 0 324.424 4.377 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000902726703 1046052408 /nfs/dbraw/zinc/05/24/08/1046052408.db2.gz UCLUTVOYIHBOAY-QGZVFWFLSA-N 1 0 316.351 4.401 20 30 DIEDRO C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902732515 1046053897 /nfs/dbraw/zinc/05/38/97/1046053897.db2.gz FTVVLBFSRJTUDK-MNNVXMFVSA-N 1 0 305.425 4.330 20 30 DIEDRO CC[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000453354578 1046056287 /nfs/dbraw/zinc/05/62/87/1046056287.db2.gz JZRGAHQPKJQVQW-MSOLQXFVSA-N 1 0 300.471 4.228 20 30 DIEDRO N#C[C@@H]1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001138051615 1046074315 /nfs/dbraw/zinc/07/43/15/1046074315.db2.gz CSHFTRUOBKUYTO-LLVKDONJSA-N 1 0 316.754 4.484 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(C(=O)OC)cc1C)c1ccncc1 ZINC000902807071 1046075139 /nfs/dbraw/zinc/07/51/39/1046075139.db2.gz VKGDDTFNTSAEBD-DNVCBOLYSA-N 1 0 324.424 4.145 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(C#N)c1 ZINC000453400601 1046078222 /nfs/dbraw/zinc/07/82/22/1046078222.db2.gz YNENMWGMNPODBE-IAOVAPTHSA-N 1 0 312.438 4.191 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902823812 1046078424 /nfs/dbraw/zinc/07/84/24/1046078424.db2.gz AECTZNGXHYIIBJ-KBXCAEBGSA-N 1 0 311.404 4.010 20 30 DIEDRO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000902826563 1046080112 /nfs/dbraw/zinc/08/01/12/1046080112.db2.gz FNOIJSGBZHJUML-LSDHHAIUSA-N 1 0 322.408 4.065 20 30 DIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902829472 1046080523 /nfs/dbraw/zinc/08/05/23/1046080523.db2.gz ABDABRUAJOPALX-HNAYVOBHSA-N 1 0 323.440 4.400 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccc(C#N)cc1 ZINC000756459738 1046084998 /nfs/dbraw/zinc/08/49/98/1046084998.db2.gz WXCCQPBXHISQBL-HSMVNMDESA-N 1 0 310.372 4.302 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)c1cc(C#N)ccn1 ZINC000902858121 1046088928 /nfs/dbraw/zinc/08/89/28/1046088928.db2.gz XFONWWBVJJBJBM-OAHLLOKOSA-N 1 0 321.424 4.125 20 30 DIEDRO C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)c1c(F)cccc1Cl ZINC000902874423 1046097275 /nfs/dbraw/zinc/09/72/75/1046097275.db2.gz FQBKFHULBRKAIC-WDEREUQCSA-N 1 0 303.768 4.158 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC(OC(C)C)CC1)c1cccc(C#N)c1 ZINC000902886734 1046099163 /nfs/dbraw/zinc/09/91/63/1046099163.db2.gz UCGMVQQUNKBXTD-CTWPCTMYSA-N 1 0 300.446 4.335 20 30 DIEDRO Cc1cc([C@H]([NH2+][C@H](C)c2cc(C#N)ccn2)C2CC2)ccc1F ZINC000902889882 1046102852 /nfs/dbraw/zinc/10/28/52/1046102852.db2.gz SBETWJRBKHQZED-BFUOFWGJSA-N 1 0 309.388 4.203 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000902894931 1046104863 /nfs/dbraw/zinc/10/48/63/1046104863.db2.gz QDYZIODYSAADGG-GUYCJALGSA-N 1 0 309.369 4.268 20 30 DIEDRO C[C@@H](Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(C#N)ccn1 ZINC000902902641 1046104878 /nfs/dbraw/zinc/10/48/78/1046104878.db2.gz GUCSHVDBRNUMAP-MRXNPFEDSA-N 1 0 320.440 4.112 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000532139772 1046105343 /nfs/dbraw/zinc/10/53/43/1046105343.db2.gz ICLBFHASTBOIDE-UHFFFAOYSA-N 1 0 322.861 4.146 20 30 DIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cccc(C#N)c1 ZINC000756624197 1046111609 /nfs/dbraw/zinc/11/16/09/1046111609.db2.gz DOVIQGYVGXTRPY-BFQNTYOBSA-N 1 0 310.372 4.302 20 30 DIEDRO Cc1cccc(C)c1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000532209427 1046114566 /nfs/dbraw/zinc/11/45/66/1046114566.db2.gz CHLOAUOXJMBJAC-UHFFFAOYSA-N 1 0 322.452 4.318 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000756710575 1046122000 /nfs/dbraw/zinc/12/20/00/1046122000.db2.gz ZKLCZRDQWYTLKM-DOTOQJQBSA-N 1 0 324.424 4.232 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)CC2 ZINC000902962307 1046128274 /nfs/dbraw/zinc/12/82/74/1046128274.db2.gz FNQKGQHCVOLRBE-IFXJQAMLSA-N 1 0 305.425 4.415 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)CC2 ZINC000902962309 1046128988 /nfs/dbraw/zinc/12/89/88/1046128988.db2.gz FNQKGQHCVOLRBE-LIRRHRJNSA-N 1 0 305.425 4.415 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1 ZINC000902965966 1046130208 /nfs/dbraw/zinc/13/02/08/1046130208.db2.gz BDKQXMIVJVFLBO-ZWKOTPCHSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902970541 1046131880 /nfs/dbraw/zinc/13/18/80/1046131880.db2.gz NECXPRQJGUBTBO-ZYSHUDEJSA-N 1 0 305.425 4.330 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000756776875 1046132212 /nfs/dbraw/zinc/13/22/12/1046132212.db2.gz UGRPRWSOGGLAIB-COXVUDFISA-N 1 0 309.384 4.434 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000902978328 1046135936 /nfs/dbraw/zinc/13/59/36/1046135936.db2.gz CWHCAWZHBYKLQK-WDMOLILDSA-N 1 0 319.392 4.399 20 30 DIEDRO COCCCC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000902976202 1046136169 /nfs/dbraw/zinc/13/61/69/1046136169.db2.gz OIHSUPRIMKMSGG-QFBILLFUSA-N 1 0 323.440 4.162 20 30 DIEDRO CC[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1cccc(C#N)c1 ZINC000902987446 1046137725 /nfs/dbraw/zinc/13/77/25/1046137725.db2.gz IBBCXYJQILOIRN-SFHVURJKSA-N 1 0 305.425 4.116 20 30 DIEDRO CCO[C@@H]1CCC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000903000467 1046138755 /nfs/dbraw/zinc/13/87/55/1046138755.db2.gz KPWCAINFUPDKPK-IPMKNSEASA-N 1 0 300.446 4.359 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)c1cc(C#N)ccn1 ZINC000903001685 1046139817 /nfs/dbraw/zinc/13/98/17/1046139817.db2.gz XDSDQUSTOBHHQV-QEJZJMRPSA-N 1 0 311.816 4.203 20 30 DIEDRO CCc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000347634030 1046141475 /nfs/dbraw/zinc/14/14/75/1046141475.db2.gz ISHIKDWICYNAIU-UHFFFAOYSA-N 1 0 307.441 4.174 20 30 DIEDRO CC[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cccc(C#N)c1 ZINC000903018494 1046143069 /nfs/dbraw/zinc/14/30/69/1046143069.db2.gz CWHVZVHPELBWEP-IBGZPJMESA-N 1 0 307.441 4.492 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CCC1)c1cc(C#N)ccn1 ZINC000903037411 1046144772 /nfs/dbraw/zinc/14/47/72/1046144772.db2.gz JZXUICOZOIFVLS-CYBMUJFWSA-N 1 0 311.816 4.337 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cccc(C#N)c1 ZINC000903024118 1046145386 /nfs/dbraw/zinc/14/53/86/1046145386.db2.gz VCSPOIJGIOLJFI-IRXDYDNUSA-N 1 0 300.471 4.132 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC1SCCS1)[C@]1(C)CCCCO1 ZINC000903056694 1046150343 /nfs/dbraw/zinc/15/03/43/1046150343.db2.gz RFWQWAAINZYNCI-HOCLYGCPSA-N 1 0 315.548 4.066 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000903070601 1046155435 /nfs/dbraw/zinc/15/54/35/1046155435.db2.gz AMXIQVZUMHCREK-ZCNNSNEGSA-N 1 0 306.409 4.129 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccccc1 ZINC000756995573 1046157762 /nfs/dbraw/zinc/15/77/62/1046157762.db2.gz JEUOMKYDOHWKSF-QGZVFWFLSA-N 1 0 319.326 4.439 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000756996064 1046158181 /nfs/dbraw/zinc/15/81/81/1046158181.db2.gz DWBPUECBXUFDIV-NRFANRHFSA-N 1 0 318.420 4.223 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OCC)c(OCC)c1)c1ccccc1 ZINC000756998404 1046159351 /nfs/dbraw/zinc/15/93/51/1046159351.db2.gz UNIGVHHKKOMKDY-IBGZPJMESA-N 1 0 323.436 4.338 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1cccc(Cl)c1 ZINC000903085808 1046161616 /nfs/dbraw/zinc/16/16/16/1046161616.db2.gz GWBBVJJPOULUBL-SFHVURJKSA-N 1 0 317.864 4.487 20 30 DIEDRO CC[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cccc(C#N)c1 ZINC000903094773 1046162904 /nfs/dbraw/zinc/16/29/04/1046162904.db2.gz PUIKNXLISHEPMD-RBUKOAKNSA-N 1 0 312.457 4.338 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1cccc(C#N)c1 ZINC000903095991 1046163256 /nfs/dbraw/zinc/16/32/56/1046163256.db2.gz ZNELLTMLVKNEAL-SFHVURJKSA-N 1 0 321.449 4.393 20 30 DIEDRO CC[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cccc(C#N)c1 ZINC000903094774 1046163957 /nfs/dbraw/zinc/16/39/57/1046163957.db2.gz PUIKNXLISHEPMD-RTBURBONSA-N 1 0 312.457 4.338 20 30 DIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CC1CCSCC1 ZINC001461933956 1046166337 /nfs/dbraw/zinc/16/63/37/1046166337.db2.gz IRXZSOMYKLEWHW-UHFFFAOYSA-N 1 0 302.487 4.159 20 30 DIEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc(-c2ccncc2)c1 ZINC000903109236 1046168115 /nfs/dbraw/zinc/16/81/15/1046168115.db2.gz LEXCTAKQVCFQKN-MRXNPFEDSA-N 1 0 305.425 4.483 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnn(C)c1C)c1cccc(Cl)c1 ZINC000903129896 1046170486 /nfs/dbraw/zinc/17/04/86/1046170486.db2.gz JJYGTBTXZKYLQP-QGZVFWFLSA-N 1 0 303.837 4.179 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1ccccc1 ZINC000903132447 1046172576 /nfs/dbraw/zinc/17/25/76/1046172576.db2.gz ZCPFEYIHDREQQP-JXFKEZNVSA-N 1 0 307.441 4.098 20 30 DIEDRO COc1ccc2c(c1Cl)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCC2 ZINC000903179425 1046185548 /nfs/dbraw/zinc/18/55/48/1046185548.db2.gz PXGKVHVRAIKODS-QEJZJMRPSA-N 1 0 318.848 4.398 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccnn1CC)c1cccc(Cl)c1 ZINC000903206003 1046194363 /nfs/dbraw/zinc/19/43/63/1046194363.db2.gz OBTYLEYXRFMVOR-QGZVFWFLSA-N 1 0 303.837 4.354 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCOC1CCOCC1)c1cccc(Cl)c1 ZINC000903228331 1046198022 /nfs/dbraw/zinc/19/80/22/1046198022.db2.gz UKXHQLXVOOHLLH-GOSISDBHSA-N 1 0 323.864 4.133 20 30 DIEDRO C=CCC[N@@H+](Cc1ccc(N(C)C)s1)Cc1ccccc1 ZINC001138494134 1046199781 /nfs/dbraw/zinc/19/97/81/1046199781.db2.gz KFWNOCNRTWRWED-UHFFFAOYSA-N 1 0 300.471 4.392 20 30 DIEDRO COc1ccc2[nH]cc(CN(CCC#N)Cc3ccccc3)c2c1 ZINC001138503866 1046201564 /nfs/dbraw/zinc/20/15/64/1046201564.db2.gz DGNGLNLPCSFIIS-UHFFFAOYSA-N 1 0 319.408 4.092 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)C1CCOCC1)c1cccc(C#N)c1 ZINC000903244012 1046204276 /nfs/dbraw/zinc/20/42/76/1046204276.db2.gz MKQABOSYAAXOFU-SFHVURJKSA-N 1 0 300.446 4.052 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCO2)c1ccc(C#N)cc1 ZINC000903238533 1046205599 /nfs/dbraw/zinc/20/55/99/1046205599.db2.gz ONMGHELJQSUMSF-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CC[N@@H+](C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC001138511813 1046206076 /nfs/dbraw/zinc/20/60/76/1046206076.db2.gz NJKLXESKQDKEKP-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO COc1ccc(-c2ccc(CN3CC[C@](C)(C#N)C3)cc2)cc1 ZINC001138517918 1046209738 /nfs/dbraw/zinc/20/97/38/1046209738.db2.gz QFPKYIKSXDLTAC-HXUWFJFHSA-N 1 0 306.409 4.098 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1C#N ZINC000087822492 1046210870 /nfs/dbraw/zinc/21/08/70/1046210870.db2.gz HZSKHZHWJGKSEX-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001168158554 1046210872 /nfs/dbraw/zinc/21/08/72/1046210872.db2.gz NHVBFKSJVCVFBZ-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000903288325 1046223905 /nfs/dbraw/zinc/22/39/05/1046223905.db2.gz XOOJHFTUDDJMTJ-ACJLOTCBSA-N 1 0 309.369 4.268 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccccc1 ZINC000756998507 1046228932 /nfs/dbraw/zinc/22/89/32/1046228932.db2.gz XEXFQKYGLAQYAE-QGZVFWFLSA-N 1 0 314.226 4.303 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000245506139 1046237865 /nfs/dbraw/zinc/23/78/65/1046237865.db2.gz NIVJBNSSYYOLOG-YWZLYKJASA-N 1 0 324.399 4.454 20 30 DIEDRO COc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](C#N)CC3)c2)cc1 ZINC001138616353 1046241151 /nfs/dbraw/zinc/24/11/51/1046241151.db2.gz VOGLBKPTHHSRSC-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000245539875 1046241501 /nfs/dbraw/zinc/24/15/01/1046241501.db2.gz LRDPGDTXWPGWBI-HXUWFJFHSA-N 1 0 319.452 4.026 20 30 DIEDRO COc1ccc(-c2cccc(CN3CCC[C@H](C#N)C3)c2)cc1 ZINC001138614783 1046241777 /nfs/dbraw/zinc/24/17/77/1046241777.db2.gz HCXQPTQDXLMLCL-QGZVFWFLSA-N 1 0 306.409 4.098 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000903332128 1046244185 /nfs/dbraw/zinc/24/41/85/1046244185.db2.gz HJGRCHABHAQSIV-UONOGXRCSA-N 1 0 308.372 4.065 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)c1O ZINC001138627662 1046247011 /nfs/dbraw/zinc/24/70/11/1046247011.db2.gz DSLPKNPVJIEWCS-HXUWFJFHSA-N 1 0 323.436 4.466 20 30 DIEDRO C=CCc1cccc(C[N@H+](C)Cc2ccc(F)cc2F)c1O ZINC001138630006 1046249584 /nfs/dbraw/zinc/24/95/84/1046249584.db2.gz NJRMSECRIJSETC-UHFFFAOYSA-N 1 0 303.352 4.031 20 30 DIEDRO C=C(C)C[NH2+]Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000783755797 1046249936 /nfs/dbraw/zinc/24/99/36/1046249936.db2.gz WXVRUAHVWCYFQW-UHFFFAOYSA-N 1 0 310.228 4.153 20 30 DIEDRO C=CCc1cccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1O ZINC001138629978 1046250361 /nfs/dbraw/zinc/25/03/61/1046250361.db2.gz LSJAYCXHBBYFSJ-UHFFFAOYSA-N 1 0 323.436 4.206 20 30 DIEDRO C[C@H]([NH2+]CCC1CCC(F)(F)CC1)c1ccc(OCC#N)cc1 ZINC000903343547 1046252319 /nfs/dbraw/zinc/25/23/19/1046252319.db2.gz AHEQUGJATKWKIB-AWEZNQCLSA-N 1 0 322.399 4.455 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cc(F)ccc1OC ZINC000903370666 1046258835 /nfs/dbraw/zinc/25/88/35/1046258835.db2.gz JGEHBPUQFCDZEO-BFHRDPOASA-N 1 0 304.409 4.347 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001138664338 1046259084 /nfs/dbraw/zinc/25/90/84/1046259084.db2.gz NVJAWQUYXGALDG-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO C=C(C)COc1ccccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC001138664862 1046259655 /nfs/dbraw/zinc/25/96/55/1046259655.db2.gz YGJQAXVMCQRNTQ-UHFFFAOYSA-N 1 0 322.452 4.416 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(N(C)C)c1 ZINC000610368116 1046260798 /nfs/dbraw/zinc/26/07/98/1046260798.db2.gz XNBWFIOGEKCGCT-UHFFFAOYSA-N 1 0 307.441 4.035 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC000245710852 1046261475 /nfs/dbraw/zinc/26/14/75/1046261475.db2.gz FYISTDXTVXHQLG-CBGDNZLLSA-N 1 0 320.436 4.355 20 30 DIEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000795330532 1046267456 /nfs/dbraw/zinc/26/74/56/1046267456.db2.gz AKEXRSNDTCNWNL-RDJZCZTQSA-N 1 0 310.441 4.257 20 30 DIEDRO N#CCCN(Cc1c(Cl)[nH]c2ccccc21)C1CCCC1 ZINC001138687136 1046269581 /nfs/dbraw/zinc/26/95/81/1046269581.db2.gz PXXLLPVLSVLJIK-UHFFFAOYSA-N 1 0 301.821 4.480 20 30 DIEDRO C#CCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000758496498 1046273774 /nfs/dbraw/zinc/27/37/74/1046273774.db2.gz DMHIAXHFNAOGFY-UHFFFAOYSA-N 1 0 314.410 4.216 20 30 DIEDRO C#CCCCC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000758497192 1046274249 /nfs/dbraw/zinc/27/42/49/1046274249.db2.gz LQMVKAMXRSKNNS-UHFFFAOYSA-N 1 0 309.457 4.063 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000637915162 1046286910 /nfs/dbraw/zinc/28/69/10/1046286910.db2.gz ZDAJKVFDMHSAGT-AWEZNQCLSA-N 1 0 318.848 4.175 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000089553847 1046288993 /nfs/dbraw/zinc/28/89/93/1046288993.db2.gz JFEXFYJWPQOZSY-JKSUJKDBSA-N 1 0 313.363 4.073 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000089553888 1046290425 /nfs/dbraw/zinc/29/04/25/1046290425.db2.gz WOWXTPVLPFGPQG-CABCVRRESA-N 1 0 301.352 4.073 20 30 DIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NCc3ccc(C#N)cc3)cc2)C1 ZINC000237676520 1046310241 /nfs/dbraw/zinc/31/02/41/1046310241.db2.gz KPYXCIBPIGHNBO-KRWDZBQOSA-N 1 0 319.452 4.402 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)c1 ZINC000237700459 1046314165 /nfs/dbraw/zinc/31/41/65/1046314165.db2.gz NUSGNQBTDMJMTH-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000832523970 1046338923 /nfs/dbraw/zinc/33/89/23/1046338923.db2.gz JWZNHWGTUOYWMC-HXUWFJFHSA-N 1 0 324.399 4.374 20 30 DIEDRO CCOc1ccc(CN(CCC#N)C2CCCC2)c(OCC)c1 ZINC001138978020 1046347683 /nfs/dbraw/zinc/34/76/83/1046347683.db2.gz LNPQDXMGJHENIT-UHFFFAOYSA-N 1 0 316.445 4.142 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1ccc(OCC#N)cc1 ZINC000759420160 1046353882 /nfs/dbraw/zinc/35/38/82/1046353882.db2.gz NTFHCGUNNTWCOZ-FQEVSTJZSA-N 1 0 322.452 4.432 20 30 DIEDRO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)c2cccc(C#N)c2)o1 ZINC000248892801 1046354983 /nfs/dbraw/zinc/35/49/83/1046354983.db2.gz FYCJOLNJHIUACM-KSSFIOAISA-N 1 0 310.397 4.196 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001139030373 1046363532 /nfs/dbraw/zinc/36/35/32/1046363532.db2.gz LSDYXFRXSMLZHB-UHFFFAOYSA-N 1 0 323.436 4.337 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000780540130 1046391858 /nfs/dbraw/zinc/39/18/58/1046391858.db2.gz ZIQWOZXWYVYWKW-APWZRJJASA-N 1 0 324.399 4.132 20 30 DIEDRO CCCCN(CCC#N)Cc1cc(F)cc(Br)c1 ZINC001139174991 1046403284 /nfs/dbraw/zinc/40/32/84/1046403284.db2.gz LOIWYMSWRFBUJT-UHFFFAOYSA-N 1 0 313.214 4.104 20 30 DIEDRO N#CCC1CN(Cc2ccccc2Oc2ccc(Cl)cc2)C1 ZINC001139261356 1046420056 /nfs/dbraw/zinc/42/00/56/1046420056.db2.gz GPVRJMBLNKNYGW-UHFFFAOYSA-N 1 0 312.800 4.478 20 30 DIEDRO CC(CCCC[NH+](C)C)N=Nc1ccc(C(F)(F)F)cc1 ZINC000781128218 1046425381 /nfs/dbraw/zinc/42/53/81/1046425381.db2.gz PIVKBRBWLCDBPR-UHFFFAOYSA-N 1 0 301.356 4.225 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC001139332217 1046429414 /nfs/dbraw/zinc/42/94/14/1046429414.db2.gz JVENAMNWRKYOFY-UHFFFAOYSA-N 1 0 300.450 4.060 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2)c1 ZINC000749129398 1046431817 /nfs/dbraw/zinc/43/18/17/1046431817.db2.gz QZLJJALFHHRXQC-MAUKXSAKSA-N 1 0 324.424 4.227 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc2cc(O)ccc2c1 ZINC001139342656 1046432842 /nfs/dbraw/zinc/43/28/42/1046432842.db2.gz SYQDDFSBHQGSTE-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001254644597 1046434366 /nfs/dbraw/zinc/43/43/66/1046434366.db2.gz ZNRIGRFUAHGRKB-JOYOIKCWSA-N 1 0 302.727 4.141 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001254644594 1046435302 /nfs/dbraw/zinc/43/53/02/1046435302.db2.gz ZNRIGRFUAHGRKB-CABZTGNLSA-N 1 0 302.727 4.141 20 30 DIEDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC001168233145 1046435458 /nfs/dbraw/zinc/43/54/58/1046435458.db2.gz CNPLJAVOFVWBFI-CABCVRRESA-N 1 0 324.399 4.084 20 30 DIEDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC001168233146 1046435539 /nfs/dbraw/zinc/43/55/39/1046435539.db2.gz CNPLJAVOFVWBFI-GJZGRUSLSA-N 1 0 324.399 4.084 20 30 DIEDRO C=CC[N@H+](Cc1cccn1Cc1cnc(Cl)s1)C(C)(C)C ZINC001139369370 1046440739 /nfs/dbraw/zinc/44/07/39/1046440739.db2.gz VMAMHZWDPSHKME-UHFFFAOYSA-N 1 0 323.893 4.433 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000781420201 1046442264 /nfs/dbraw/zinc/44/22/64/1046442264.db2.gz JBBYCTSJGKHWKZ-OLZOCXBDSA-N 1 0 300.352 4.291 20 30 DIEDRO CCCCCCCCCN(C)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000781399285 1046442807 /nfs/dbraw/zinc/44/28/07/1046442807.db2.gz QYHOQVBHJCAEDT-QGZVFWFLSA-N 1 0 323.525 4.029 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1)c1ccc(C#N)cc1F ZINC000781420395 1046443110 /nfs/dbraw/zinc/44/31/10/1046443110.db2.gz JWFOVIIGMZCYEU-CQSZACIVSA-N 1 0 314.429 4.281 20 30 DIEDRO CCCCCCCCCN(C)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000781399284 1046443197 /nfs/dbraw/zinc/44/31/97/1046443197.db2.gz QYHOQVBHJCAEDT-KRWDZBQOSA-N 1 0 323.525 4.029 20 30 DIEDRO C[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C[C@@H]1CC1(C)C ZINC001139405235 1046443383 /nfs/dbraw/zinc/44/33/83/1046443383.db2.gz KZQUAYNBMHMAPM-SFHVURJKSA-N 1 0 305.425 4.098 20 30 DIEDRO C=CC[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C(C)(C)C ZINC001139406657 1046443868 /nfs/dbraw/zinc/44/38/68/1046443868.db2.gz YZELQBUXEJPDEM-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)cc2)c1 ZINC001139405480 1046444255 /nfs/dbraw/zinc/44/42/55/1046444255.db2.gz REYKTXXGAGDQGZ-TZIWHRDSSA-N 1 0 317.436 4.385 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1ccccc1-n1cncn1 ZINC001139421327 1046448461 /nfs/dbraw/zinc/44/84/61/1046448461.db2.gz GDRKOJYNFMKEIH-UHFFFAOYSA-N 1 0 300.450 4.060 20 30 DIEDRO CCC(CC)[N@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139427478 1046451041 /nfs/dbraw/zinc/45/10/41/1046451041.db2.gz HRLTVJLELLTXRK-UHFFFAOYSA-N 1 0 309.413 4.366 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccsc2)nc1)Cc1cccc(C#N)c1 ZINC001139504696 1046458056 /nfs/dbraw/zinc/45/80/56/1046458056.db2.gz HLXBHKDDSACEMQ-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC001139527869 1046462837 /nfs/dbraw/zinc/46/28/37/1046462837.db2.gz RWRBMDSBBREWRD-HXUWFJFHSA-N 1 0 324.399 4.433 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CCc4ccccc43)CC2)cc1F ZINC001139526939 1046462976 /nfs/dbraw/zinc/46/29/76/1046462976.db2.gz PFWRPOABFCYDIT-UHFFFAOYSA-N 1 0 320.411 4.177 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc1F ZINC001139526606 1046463716 /nfs/dbraw/zinc/46/37/16/1046463716.db2.gz ANQGGLNHWFHGAL-UHFFFAOYSA-N 1 0 318.395 4.258 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001139529237 1046463748 /nfs/dbraw/zinc/46/37/48/1046463748.db2.gz MMHDKZBCVDJYLK-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)cc1 ZINC000781626741 1046464436 /nfs/dbraw/zinc/46/44/36/1046464436.db2.gz LSEWTMDNCNDLNN-UHFFFAOYSA-N 1 0 304.365 4.163 20 30 DIEDRO C=CC[N@H+](Cc1cccc(Br)c1F)C(C)(C)C ZINC001139535071 1046464781 /nfs/dbraw/zinc/46/47/81/1046464781.db2.gz JPIGTNLQEXTIEC-UHFFFAOYSA-N 1 0 300.215 4.375 20 30 DIEDRO C#CCCC[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000781896693 1046484901 /nfs/dbraw/zinc/48/49/01/1046484901.db2.gz MIMYDIJXVDELGJ-AWEZNQCLSA-N 1 0 301.377 4.113 20 30 DIEDRO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000091974993 1046490334 /nfs/dbraw/zinc/49/03/34/1046490334.db2.gz AARVPASWQYZVNT-CVEARBPZSA-N 1 0 324.424 4.266 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccnc(Cl)c2)cc1 ZINC000795591382 1046492400 /nfs/dbraw/zinc/49/24/00/1046492400.db2.gz MBBCLWKILGZDNT-ZDUSSCGKSA-N 1 0 302.805 4.151 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000795585584 1046492610 /nfs/dbraw/zinc/49/26/10/1046492610.db2.gz AGCMUEJZOKRTBE-KONPQCLYSA-N 1 0 300.446 4.139 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001139650281 1046494814 /nfs/dbraw/zinc/49/48/14/1046494814.db2.gz YSIGBZGTJXGVGG-QGZVFWFLSA-N 1 0 324.399 4.086 20 30 DIEDRO C[NH+](C)CCc1ccccc1N=Cc1c(O)ccc2ccccc21 ZINC000782194622 1046501298 /nfs/dbraw/zinc/50/12/98/1046501298.db2.gz SHCDCZMPLQZGOS-UHFFFAOYSA-N 1 0 318.420 4.400 20 30 DIEDRO CCCCCCCCCC[N@H+](C)Cc1cn2ccncc2n1 ZINC001139700524 1046502257 /nfs/dbraw/zinc/50/22/57/1046502257.db2.gz NZLIADVYXCUYCN-UHFFFAOYSA-N 1 0 302.466 4.302 20 30 DIEDRO CCCCCCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000826942487 1046502445 /nfs/dbraw/zinc/50/24/45/1046502445.db2.gz QCWQDEAHONRCJN-UHFFFAOYSA-N 1 0 316.489 4.259 20 30 DIEDRO C[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ccccc21 ZINC001139701388 1046502679 /nfs/dbraw/zinc/50/26/79/1046502679.db2.gz GVKUJNGGDJOBNW-AWEZNQCLSA-N 1 0 301.393 4.159 20 30 DIEDRO Cc1cc(O)cc(C)c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001139715386 1046504043 /nfs/dbraw/zinc/50/40/43/1046504043.db2.gz ITWPQFZBPCIMFE-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001139726330 1046506029 /nfs/dbraw/zinc/50/60/29/1046506029.db2.gz IQPRFNMJZFJMSG-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](Sc3ccncc3)C2)cc1C#N ZINC001139726275 1046506394 /nfs/dbraw/zinc/50/63/94/1046506394.db2.gz DUAVDNLMYWGNDZ-IBGZPJMESA-N 1 0 323.465 4.018 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1C#N ZINC001139726440 1046506930 /nfs/dbraw/zinc/50/69/30/1046506930.db2.gz NSRNLNLUQLGYPP-LJQANCHMSA-N 1 0 308.450 4.157 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cc(=O)n(C)c2ccccc12 ZINC001139757355 1046513680 /nfs/dbraw/zinc/51/36/80/1046513680.db2.gz PBBQKYPUFGCFNS-UHFFFAOYSA-N 1 0 314.473 4.331 20 30 DIEDRO C=C(C)C[N@H+](CC)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000641849521 1046519305 /nfs/dbraw/zinc/51/93/05/1046519305.db2.gz BUOLLARKLNFOSD-KRWDZBQOSA-N 1 0 322.452 4.053 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]2CCCC[C@H]12 ZINC000782501867 1046530879 /nfs/dbraw/zinc/53/08/79/1046530879.db2.gz AVCWUZQLQOCNJQ-XYPHTWIQSA-N 1 0 318.848 4.253 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(C#N)c2)cc1 ZINC001139874775 1046539628 /nfs/dbraw/zinc/53/96/28/1046539628.db2.gz LPUHMVVXUGJLJF-LJQANCHMSA-N 1 0 310.372 4.043 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c[nH]c2nccc(Br)c12 ZINC001139945842 1046555554 /nfs/dbraw/zinc/55/55/54/1046555554.db2.gz QTHKOKXEBOAFBB-UHFFFAOYSA-N 1 0 322.250 4.114 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc2c(cnn2C)c1 ZINC001139950343 1046557406 /nfs/dbraw/zinc/55/74/06/1046557406.db2.gz DQORBGFOBCKXQJ-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1c[nH]c2cccc(Br)c12 ZINC001139966242 1046561093 /nfs/dbraw/zinc/56/10/93/1046561093.db2.gz QIOFAFAPDNHNFW-UHFFFAOYSA-N 1 0 307.235 4.328 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)cc1)CCCS2 ZINC000783225912 1046563709 /nfs/dbraw/zinc/56/37/09/1046563709.db2.gz ZCLMGZAXAQYACE-SFHVURJKSA-N 1 0 324.449 4.284 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000783252641 1046570073 /nfs/dbraw/zinc/57/00/73/1046570073.db2.gz DECGBJVDIUXRFF-AZUAARDMSA-N 1 0 308.400 4.297 20 30 DIEDRO C=CC[N@@H+](C)Cc1c[nH]c2c1cccc2OCc1ccccc1 ZINC001140029589 1046571241 /nfs/dbraw/zinc/57/12/41/1046571241.db2.gz YTLQDTRAFBXUBO-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc2ccccc2o1 ZINC000783293679 1046574412 /nfs/dbraw/zinc/57/44/12/1046574412.db2.gz JLWJDPIFZNLQIL-LJQANCHMSA-N 1 0 305.381 4.186 20 30 DIEDRO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1Cl ZINC001140113930 1046590721 /nfs/dbraw/zinc/59/07/21/1046590721.db2.gz GNMSOQBNESKZFP-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H](c4ccccc4F)C3)c2c1 ZINC001140114751 1046590799 /nfs/dbraw/zinc/59/07/99/1046590799.db2.gz YHHPZVQOIBYBKD-OAHLLOKOSA-N 1 0 319.383 4.168 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccc(F)cc1 ZINC001140116084 1046593831 /nfs/dbraw/zinc/59/38/31/1046593831.db2.gz QRTIIFTVGIEEKY-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4C[C@H](C3)c3ccccc34)c2c1 ZINC001140115784 1046594956 /nfs/dbraw/zinc/59/49/56/1046594956.db2.gz LKXUEZYQXUAQQP-IYBDPMFKSA-N 1 0 313.404 4.126 20 30 DIEDRO C[N@H+](C/C=C/c1ccccc1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115598 1046595002 /nfs/dbraw/zinc/59/50/02/1046595002.db2.gz IEMDQLJIVMGJKT-VMPITWQZSA-N 1 0 301.393 4.185 20 30 DIEDRO N#Cc1ccc(CN2CCC[C@@H]2c2cc(F)ccc2F)c(F)c1 ZINC001140137351 1046596937 /nfs/dbraw/zinc/59/69/37/1046596937.db2.gz DLICUJOUFPGPNA-GOSISDBHSA-N 1 0 316.326 4.313 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000729686052 1046598404 /nfs/dbraw/zinc/59/84/04/1046598404.db2.gz UPDDAHJSHNZPDY-MRXNPFEDSA-N 1 0 324.424 4.227 20 30 DIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2C2CC2)ccc1OC ZINC000678239479 1046599152 /nfs/dbraw/zinc/59/91/52/1046599152.db2.gz FMZWZAAAEMMEPN-QGZVFWFLSA-N 1 0 301.430 4.025 20 30 DIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2C2CC2)ccc1OC ZINC000678239478 1046600644 /nfs/dbraw/zinc/60/06/44/1046600644.db2.gz FMZWZAAAEMMEPN-KRWDZBQOSA-N 1 0 301.430 4.025 20 30 DIEDRO COc1cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)ccc1C ZINC001140161979 1046604079 /nfs/dbraw/zinc/60/40/79/1046604079.db2.gz FOXMVXXDINCYGX-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1ccc(C)c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1O ZINC001140178681 1046609011 /nfs/dbraw/zinc/60/90/11/1046609011.db2.gz UKEXFUUNKKGGEJ-UHFFFAOYSA-N 1 0 320.436 4.066 20 30 DIEDRO Cc1ccc(C)c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1O ZINC001140184021 1046609095 /nfs/dbraw/zinc/60/90/95/1046609095.db2.gz KAQCFPKMWHDPNB-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(C)cc1O ZINC001140197609 1046612331 /nfs/dbraw/zinc/61/23/31/1046612331.db2.gz RCIHJSJGAPZBEC-UHFFFAOYSA-N 1 0 320.436 4.066 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(CC)c2)cc1OC ZINC001203012914 1046617796 /nfs/dbraw/zinc/61/77/96/1046617796.db2.gz XFJFZIXXGUVRPJ-UHFFFAOYSA-N 1 0 311.425 4.112 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cnccc2C)cc1Cl ZINC000678362849 1046627636 /nfs/dbraw/zinc/62/76/36/1046627636.db2.gz QZGDTISLXUOZMN-CQSZACIVSA-N 1 0 316.832 4.459 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](Cc1ccccc1C)C1CC1 ZINC000533001708 1046638165 /nfs/dbraw/zinc/63/81/65/1046638165.db2.gz LJXMSRRKPYVJJA-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140286928 1046639295 /nfs/dbraw/zinc/63/92/95/1046639295.db2.gz WWQKHGNAEFOMFN-UHFFFAOYSA-N 1 0 318.505 4.050 20 30 DIEDRO COCc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872263 1046640696 /nfs/dbraw/zinc/64/06/96/1046640696.db2.gz POVJLPBPAIFKOF-LEWJYISDSA-N 1 0 320.436 4.105 20 30 DIEDRO C=CCC[N@@H+](Cc1[nH]nc2ccc(C)cc21)Cc1ccccc1 ZINC001140330805 1046658788 /nfs/dbraw/zinc/65/87/88/1046658788.db2.gz LANYJPGNJPLIND-UHFFFAOYSA-N 1 0 305.425 4.450 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2nccs2)c1 ZINC001140334850 1046662602 /nfs/dbraw/zinc/66/26/02/1046662602.db2.gz INVQRSZHGHKYAV-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834810235 1046674281 /nfs/dbraw/zinc/67/42/81/1046674281.db2.gz ALRBOPGOXXHATF-ZWKOTPCHSA-N 1 0 306.409 4.404 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1ccc(OCC#N)cc1 ZINC000834814860 1046674719 /nfs/dbraw/zinc/67/47/19/1046674719.db2.gz PVJKCSRYIOARGL-VBKZILBWSA-N 1 0 324.399 4.456 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCSC(F)(F)F ZINC000795778441 1046676770 /nfs/dbraw/zinc/67/67/70/1046676770.db2.gz ONSNRXCJQYGSRP-AWEZNQCLSA-N 1 0 314.376 4.168 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)cc1 ZINC000784265088 1046677770 /nfs/dbraw/zinc/67/77/70/1046677770.db2.gz CCOPYQQNQVDLSS-NRFANRHFSA-N 1 0 320.436 4.010 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000795795473 1046678240 /nfs/dbraw/zinc/67/82/40/1046678240.db2.gz YBVMHLSHUZMXAV-JTQLQIEISA-N 1 0 322.168 4.135 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000795829720 1046684061 /nfs/dbraw/zinc/68/40/61/1046684061.db2.gz HFEAYKALZZDZPB-CVYDXHPNSA-N 1 0 300.446 4.312 20 30 DIEDRO CC[N@H+](CC[C@@H](O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000795866016 1046689280 /nfs/dbraw/zinc/68/92/80/1046689280.db2.gz GCEAKQPHKXEBKG-OXQOHEQNSA-N 1 0 308.425 4.065 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000533299134 1046691461 /nfs/dbraw/zinc/69/14/61/1046691461.db2.gz CIFKNNLHTSFYII-JKSUJKDBSA-N 1 0 302.462 4.425 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000533299131 1046691671 /nfs/dbraw/zinc/69/16/71/1046691671.db2.gz CIFKNNLHTSFYII-CVEARBPZSA-N 1 0 302.462 4.425 20 30 DIEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000784507895 1046693390 /nfs/dbraw/zinc/69/33/90/1046693390.db2.gz BDIFSPAESRJOTK-CQSZACIVSA-N 1 0 306.837 4.110 20 30 DIEDRO CC(C)=CCC[C@H](C)CC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000795933435 1046697461 /nfs/dbraw/zinc/69/74/61/1046697461.db2.gz IOUFBMNXZUYKHI-KRWDZBQOSA-N 1 0 300.446 4.451 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(C(C)(C)C#N)nc1 ZINC001211989294 1046701288 /nfs/dbraw/zinc/70/12/88/1046701288.db2.gz MUFKFGXOXUHRHI-UHFFFAOYSA-N 1 0 322.456 4.468 20 30 DIEDRO C=CCC[C@H]([NH2+]CC1(C)COC1)c1ccc(C(F)(F)F)cc1 ZINC000678799354 1046702403 /nfs/dbraw/zinc/70/24/03/1046702403.db2.gz WPGFHHIBVQGKNX-HNNXBMFYSA-N 1 0 313.363 4.339 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2csc(Cl)c2)cc1 ZINC000834889908 1046703198 /nfs/dbraw/zinc/70/31/98/1046703198.db2.gz HAWIMTAWSUYSQD-LBPRGKRZSA-N 1 0 305.830 4.264 20 30 DIEDRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000834897552 1046707160 /nfs/dbraw/zinc/70/71/60/1046707160.db2.gz TXJIQWVOSBSUKV-OAHLLOKOSA-N 1 0 324.399 4.154 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001140419874 1046708527 /nfs/dbraw/zinc/70/85/27/1046708527.db2.gz OPBQTNOVEDXVTM-ZDUSSCGKSA-N 1 0 315.417 4.075 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001140419873 1046709075 /nfs/dbraw/zinc/70/90/75/1046709075.db2.gz OPBQTNOVEDXVTM-CYBMUJFWSA-N 1 0 315.417 4.075 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)C1 ZINC001140419998 1046710368 /nfs/dbraw/zinc/71/03/68/1046710368.db2.gz PZZPOOMBCYJDBT-CYBMUJFWSA-N 1 0 315.417 4.075 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H]2CCCSc3ccc(OC)cc32)c1 ZINC000834902958 1046713513 /nfs/dbraw/zinc/71/35/13/1046713513.db2.gz MDFNPWSWTXGIGO-LJQANCHMSA-N 1 0 323.461 4.393 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](C)c2ccc(OCC)c(OCC)c2)c1 ZINC000834902037 1046713535 /nfs/dbraw/zinc/71/35/35/1046713535.db2.gz CZNWCIZESYBPHG-INIZCTEOSA-N 1 0 323.436 4.316 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000533436900 1046722858 /nfs/dbraw/zinc/72/28/58/1046722858.db2.gz QPWJYDNYZHSELM-NSHDSACASA-N 1 0 315.244 4.218 20 30 DIEDRO C=CCC(C)(C)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000796775303 1046730435 /nfs/dbraw/zinc/73/04/35/1046730435.db2.gz QGDOOUHTPZYQPG-UHFFFAOYSA-N 1 0 315.457 4.044 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000678927075 1046734467 /nfs/dbraw/zinc/73/44/67/1046734467.db2.gz HDRIDGGYTQVNDG-IBGZPJMESA-N 1 0 300.490 4.404 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]c2ncc(Br)cc12)C(C)(C)C ZINC001140461139 1046735357 /nfs/dbraw/zinc/73/53/57/1046735357.db2.gz GLWIPIZXZUXRGZ-UHFFFAOYSA-N 1 0 322.250 4.112 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](CCC(C)C)c2ccoc2)cc1C#N ZINC000796837201 1046743134 /nfs/dbraw/zinc/74/31/34/1046743134.db2.gz OSDHNFYDKJJEMX-SFHVURJKSA-N 1 0 312.413 4.427 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccco1 ZINC000796846572 1046744242 /nfs/dbraw/zinc/74/42/42/1046744242.db2.gz OBXQHKRNHMDBJX-HOTGVXAUSA-N 1 0 323.795 4.403 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(C)s2)C(C)C)cc1C#N ZINC000533538435 1046745871 /nfs/dbraw/zinc/74/58/71/1046745871.db2.gz VROWYPAGMDNCKF-UHFFFAOYSA-N 1 0 314.454 4.347 20 30 DIEDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000835041531 1046747138 /nfs/dbraw/zinc/74/71/38/1046747138.db2.gz MUBHHUXBIMRHGI-GIWCCYDRSA-N 1 0 319.452 4.400 20 30 DIEDRO C=CCC(C)(C)C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000796895793 1046754691 /nfs/dbraw/zinc/75/46/91/1046754691.db2.gz AIRGUCVBCJMYKZ-SFHVURJKSA-N 1 0 315.457 4.044 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)ncn2C ZINC001140507629 1046758490 /nfs/dbraw/zinc/75/84/90/1046758490.db2.gz LHOSTELMFQWAIL-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](CC)C[C@H]1C ZINC001140510371 1046759253 /nfs/dbraw/zinc/75/92/53/1046759253.db2.gz OCIQKAKYRUQPQA-KAUXGEHWSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679026100 1046760362 /nfs/dbraw/zinc/76/03/62/1046760362.db2.gz VTLQTBSOUZXOKB-OALUTQOASA-N 1 0 321.468 4.335 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccco1 ZINC000796941586 1046761061 /nfs/dbraw/zinc/76/10/61/1046761061.db2.gz ODJSZZTWEHCNDN-AEFFLSMTSA-N 1 0 319.832 4.438 20 30 DIEDRO C=CCC[N@H+](Cc1ccnn1-c1ccccc1)Cc1ccccc1 ZINC001140527061 1046766011 /nfs/dbraw/zinc/76/60/11/1046766011.db2.gz JHSGCMIFKPEFGC-UHFFFAOYSA-N 1 0 317.436 4.451 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(F)cc(F)c1C#N ZINC001211997708 1046775519 /nfs/dbraw/zinc/77/55/19/1046775519.db2.gz HIPWQYNJLKDWIY-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO C=CCC(C)(C)C(=O)O[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000797047926 1046780314 /nfs/dbraw/zinc/78/03/14/1046780314.db2.gz HUXSQLOAPAUGEG-WMZOPIPTSA-N 1 0 315.457 4.043 20 30 DIEDRO C=CCC(C)(C)C(=O)O[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000797047917 1046780334 /nfs/dbraw/zinc/78/03/34/1046780334.db2.gz HUXSQLOAPAUGEG-AEFFLSMTSA-N 1 0 315.457 4.043 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001140558981 1046781232 /nfs/dbraw/zinc/78/12/32/1046781232.db2.gz LFYAPPLGBUEJLQ-LLVKDONJSA-N 1 0 317.738 4.084 20 30 DIEDRO CCCCCCCCC(=O)Nc1nc2c(s1)CN(CC)CC2 ZINC000302949747 1046828202 /nfs/dbraw/zinc/82/82/02/1046828202.db2.gz MFRZYCKXKQTKLG-UHFFFAOYSA-N 1 0 323.506 4.210 20 30 DIEDRO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc(Cl)n1 ZINC000797589296 1046854374 /nfs/dbraw/zinc/85/43/74/1046854374.db2.gz DRMZARNEFDGAJY-UHFFFAOYSA-N 1 0 311.816 4.080 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000797587148 1046855157 /nfs/dbraw/zinc/85/51/57/1046855157.db2.gz QVCMXOREYQGRAU-KRWDZBQOSA-N 1 0 311.473 4.411 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000679576034 1046873036 /nfs/dbraw/zinc/87/30/36/1046873036.db2.gz GXGPICRYBZLUFY-SNVBAGLBSA-N 1 0 306.258 4.225 20 30 DIEDRO C[NH+](C)[C@H](CNc1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000303164464 1046884245 /nfs/dbraw/zinc/88/42/45/1046884245.db2.gz FSLIETZGLMRWNF-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000614963245 1046891801 /nfs/dbraw/zinc/89/18/01/1046891801.db2.gz ZCAGDYBSVFDZDP-KXBFYZLASA-N 1 0 308.450 4.409 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000614963132 1046892722 /nfs/dbraw/zinc/89/27/22/1046892722.db2.gz WSNBSBSXHQHWPU-INIZCTEOSA-N 1 0 318.420 4.141 20 30 DIEDRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001140781956 1046895720 /nfs/dbraw/zinc/89/57/20/1046895720.db2.gz WHUXUKDOUIFICP-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO C[N@H+](CC/C=C/c1cccnc1)Cc1cccc(C#N)c1Cl ZINC001140812699 1046911166 /nfs/dbraw/zinc/91/11/66/1046911166.db2.gz HCCVVWKXUPEFIY-QHHAFSJGSA-N 1 0 311.816 4.142 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc2c(c1)CCCO2 ZINC000797999299 1046918606 /nfs/dbraw/zinc/91/86/06/1046918606.db2.gz SONVUEZIYGRDLF-NSHGMRRFSA-N 1 0 315.457 4.034 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)C1 ZINC001203074407 1046941593 /nfs/dbraw/zinc/94/15/93/1046941593.db2.gz HAJVONWNPFQGJZ-HZPDHXFCSA-N 1 0 322.493 4.158 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CCCCc2ccccc2)cc1 ZINC000798255405 1046942957 /nfs/dbraw/zinc/94/29/57/1046942957.db2.gz NYTHKBJRQOIDTF-UHFFFAOYSA-N 1 0 321.468 4.149 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c1 ZINC000303704985 1046950267 /nfs/dbraw/zinc/95/02/67/1046950267.db2.gz KOSIDRRLLJGFRV-UHFFFAOYSA-N 1 0 321.346 4.195 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000615085914 1046951265 /nfs/dbraw/zinc/95/12/65/1046951265.db2.gz RCHMOGPPWYUXDU-ICSRJNTNSA-N 1 0 308.400 4.297 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCCC3)c2)c1 ZINC000237848481 1046958941 /nfs/dbraw/zinc/95/89/41/1046958941.db2.gz RTPXZOWFTBJYCD-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(-c2ccccc2)cc1 ZINC000615092136 1046959522 /nfs/dbraw/zinc/95/95/22/1046959522.db2.gz BDHBPEQMUAVKPL-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO CC(C)CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000615092165 1046959634 /nfs/dbraw/zinc/95/96/34/1046959634.db2.gz DEUYBXYUHINKCW-MRXNPFEDSA-N 1 0 323.440 4.229 20 30 DIEDRO C[NH+](C)[C@H](CNc1cc(Cl)ccc1C#N)c1cccc(F)c1 ZINC000303761051 1046962611 /nfs/dbraw/zinc/96/26/11/1046962611.db2.gz KUGDHDYBBGYGMD-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000680350607 1046970203 /nfs/dbraw/zinc/97/02/03/1046970203.db2.gz JXGQWHLTMBGWJM-MRXNPFEDSA-N 1 0 307.397 4.066 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccccn2)s1)Cc1cccc(C#N)c1 ZINC001141006606 1046976553 /nfs/dbraw/zinc/97/65/53/1046976553.db2.gz BUYUAVNQNIQKRX-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000798925390 1046986941 /nfs/dbraw/zinc/98/69/41/1046986941.db2.gz AHTQONPOFPFTSF-RBUKOAKNSA-N 1 0 305.425 4.078 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000798936698 1046990754 /nfs/dbraw/zinc/99/07/54/1046990754.db2.gz KJPSINVKEKWCMI-HUUCEWRRSA-N 1 0 322.880 4.182 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccnc2ccc(OC)cc12 ZINC001141151813 1047029945 /nfs/dbraw/zinc/02/99/45/1047029945.db2.gz XRTFGCYZSYLSKL-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141207969 1047045787 /nfs/dbraw/zinc/04/57/87/1047045787.db2.gz VVUSBPWZCCXBEQ-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ncc(-c2ccccc2)o1 ZINC000799598617 1047045910 /nfs/dbraw/zinc/04/59/10/1047045910.db2.gz YSTCKYOHZGJSFN-QQFBHYJXSA-N 1 0 309.413 4.322 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1csc(-c2ccccc2)n1 ZINC001141214369 1047048956 /nfs/dbraw/zinc/04/89/56/1047048956.db2.gz QDOFZSFNSZSFKW-FFGGFLGDSA-N 1 0 309.438 4.077 20 30 DIEDRO CCc1cccc2c(CCNC(=[NH2+])Nc3cccc(C)c3)c[nH]c21 ZINC000304741869 1047050111 /nfs/dbraw/zinc/05/01/11/1047050111.db2.gz CIPWORZQKAVXHF-UHFFFAOYSA-N 1 0 320.440 4.008 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2cc(C(C)C)no2)cc1 ZINC000304761089 1047053466 /nfs/dbraw/zinc/05/34/66/1047053466.db2.gz UAAQAURQMSXKMK-CYBMUJFWSA-N 1 0 314.433 4.238 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2OCC2CC2)c1 ZINC000304765827 1047053636 /nfs/dbraw/zinc/05/36/36/1047053636.db2.gz ZVJIMLZCKSVRKR-UHFFFAOYSA-N 1 0 323.440 4.019 20 30 DIEDRO Cc1c(CNC(=[NH2+])Nc2ccc(C)c(C)c2)oc2ccccc12 ZINC000304762289 1047054330 /nfs/dbraw/zinc/05/43/30/1047054330.db2.gz VMDGXYXTJYZNSL-UHFFFAOYSA-N 1 0 307.397 4.285 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCCc2c(OC)cccc21)c1ccncc1 ZINC000799719336 1047055809 /nfs/dbraw/zinc/05/58/09/1047055809.db2.gz ZSQQCJARUNTWMW-RTBURBONSA-N 1 0 308.425 4.375 20 30 DIEDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2cc(C#N)cs2)o1 ZINC000536666941 1047056728 /nfs/dbraw/zinc/05/67/28/1047056728.db2.gz VAUUTPKCXCTXIA-BLLLJJGKSA-N 1 0 300.427 4.494 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CC4CC(C4)C3)cc2)cc1 ZINC001141295634 1047079927 /nfs/dbraw/zinc/07/99/27/1047079927.db2.gz ITVPRPGTVBRTBW-UHFFFAOYSA-N 1 0 304.393 4.192 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](CC)c1ccccc1Br ZINC000536851179 1047111715 /nfs/dbraw/zinc/11/17/15/1047111715.db2.gz LATSADJTRSTYEC-OAHLLOKOSA-N 1 0 312.251 4.083 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCOc2ccc(OCC)cc21)C1CC1 ZINC000681400062 1047120224 /nfs/dbraw/zinc/12/02/24/1047120224.db2.gz WZABNLIQDAJLKT-QZTJIDSGSA-N 1 0 301.430 4.243 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(F)c(F)c1 ZINC000681462401 1047125137 /nfs/dbraw/zinc/12/51/37/1047125137.db2.gz NMCIFOKTGJAZIO-IBGZPJMESA-N 1 0 316.395 4.438 20 30 DIEDRO C=C(C)C[NH2+][C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000537053362 1047134799 /nfs/dbraw/zinc/13/47/99/1047134799.db2.gz MJMCUSPRZFBTKV-SFHVURJKSA-N 1 0 311.425 4.153 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000537053647 1047134944 /nfs/dbraw/zinc/13/49/44/1047134944.db2.gz YKNFEQDBZOFLFK-CABCVRRESA-N 1 0 300.446 4.431 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000537053648 1047135202 /nfs/dbraw/zinc/13/52/02/1047135202.db2.gz YKNFEQDBZOFLFK-GJZGRUSLSA-N 1 0 300.446 4.431 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000537092150 1047138178 /nfs/dbraw/zinc/13/81/78/1047138178.db2.gz KOQCDESGIFIJDH-TZIWHRDSSA-N 1 0 309.453 4.135 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000537092149 1047138612 /nfs/dbraw/zinc/13/86/12/1047138612.db2.gz KOQCDESGIFIJDH-PZJWPPBQSA-N 1 0 309.453 4.135 20 30 DIEDRO CCCCCCCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000827761905 1047152642 /nfs/dbraw/zinc/15/26/42/1047152642.db2.gz QMVNCUAWDRXYCT-UHFFFAOYSA-N 1 0 316.489 4.259 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)s1 ZINC000537294616 1047160881 /nfs/dbraw/zinc/16/08/81/1047160881.db2.gz GLDBLDFTIIAZAR-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000537293549 1047161658 /nfs/dbraw/zinc/16/16/58/1047161658.db2.gz WNUDPDSQCWNFQG-HUUCEWRRSA-N 1 0 324.424 4.377 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(C(F)F)c2)cc1 ZINC001116704264 1047170033 /nfs/dbraw/zinc/17/00/33/1047170033.db2.gz RQENIWWNJCELFM-UHFFFAOYSA-N 1 0 303.352 4.479 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000649779612 1047174363 /nfs/dbraw/zinc/17/43/63/1047174363.db2.gz OTQXDFWLDVAELO-HLLBOEOZSA-N 1 0 317.477 4.192 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1Cl ZINC000537405357 1047180044 /nfs/dbraw/zinc/18/00/44/1047180044.db2.gz HAGJHPNXIONUDP-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000537405282 1047181025 /nfs/dbraw/zinc/18/10/25/1047181025.db2.gz BQCITHHFMZWPPL-JTQLQIEISA-N 1 0 306.743 4.341 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1Cl ZINC000537405358 1047181149 /nfs/dbraw/zinc/18/11/49/1047181149.db2.gz HAGJHPNXIONUDP-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000537407411 1047181735 /nfs/dbraw/zinc/18/17/35/1047181735.db2.gz PDFGOZPJIAEDQB-VXGBXAGGSA-N 1 0 313.332 4.017 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000537407382 1047181754 /nfs/dbraw/zinc/18/17/54/1047181754.db2.gz KAIATLSGKYNDBD-QWHCGFSZSA-N 1 0 300.352 4.291 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168278364 1047187073 /nfs/dbraw/zinc/18/70/73/1047187073.db2.gz CPOGIGKUCJICLS-HXUWFJFHSA-N 1 0 307.437 4.241 20 30 DIEDRO COCC[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(C)cc1C ZINC000612065861 1047199002 /nfs/dbraw/zinc/19/90/02/1047199002.db2.gz LFWVSPVSWYKRCL-UHFFFAOYSA-N 1 0 322.452 4.018 20 30 DIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)cc1)CCC2 ZINC000152569635 1047219767 /nfs/dbraw/zinc/21/97/67/1047219767.db2.gz WUKODZKFGCCCRY-MRXNPFEDSA-N 1 0 311.454 4.087 20 30 DIEDRO C=CC[N@@H+](Cc1cc(F)c(OC)c(OC)c1)C1CCCCC1 ZINC001137511118 1047240472 /nfs/dbraw/zinc/24/04/72/1047240472.db2.gz YDGLSTLZNMOYDB-UHFFFAOYSA-N 1 0 307.409 4.164 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC001117784090 1047245055 /nfs/dbraw/zinc/24/50/55/1047245055.db2.gz OKAQJCONLKINBS-KRWDZBQOSA-N 1 0 316.489 4.389 20 30 DIEDRO Cc1ccccc1OCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000839608281 1047250416 /nfs/dbraw/zinc/25/04/16/1047250416.db2.gz REUPSCRGKQFNAY-IBGZPJMESA-N 1 0 308.425 4.399 20 30 DIEDRO N#CCCCOc1cccc(C[NH+]2CC(c3ccc(F)cc3)C2)c1 ZINC001117867287 1047250795 /nfs/dbraw/zinc/25/07/95/1047250795.db2.gz BQYIWNNFQWOKAF-UHFFFAOYSA-N 1 0 324.399 4.108 20 30 DIEDRO CC(C)[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H](O)c1ccccc1 ZINC000839602086 1047250699 /nfs/dbraw/zinc/25/06/99/1047250699.db2.gz OWIIAFCXAYRNEG-OALUTQOASA-N 1 0 314.473 4.198 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC001203113757 1047288158 /nfs/dbraw/zinc/28/81/58/1047288158.db2.gz PYDORZFMSWXNHJ-DLBZAZTESA-N 1 0 303.446 4.318 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001203113783 1047288184 /nfs/dbraw/zinc/28/81/84/1047288184.db2.gz QLMXGXPERNFSNF-AZUAARDMSA-N 1 0 311.473 4.261 20 30 DIEDRO CCC[N@H+](Cc1ccc(Br)cc1C#N)[C@H](C)CC ZINC001141807371 1047292299 /nfs/dbraw/zinc/29/22/99/1047292299.db2.gz FUBMTVAXSBIKEW-GFCCVEGCSA-N 1 0 309.251 4.331 20 30 DIEDRO CCC[C@@](C)([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000897925031 1047300135 /nfs/dbraw/zinc/30/01/35/1047300135.db2.gz 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C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000651791201 1047329844 /nfs/dbraw/zinc/32/98/44/1047329844.db2.gz DLBVVZKIGKBYMR-OUCADQQQSA-N 1 0 309.251 4.240 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)c2nccn2C)C1 ZINC000651962683 1047336143 /nfs/dbraw/zinc/33/61/43/1047336143.db2.gz LQHHFDLGVQYSKI-NZSAHSFTSA-N 1 0 309.457 4.038 20 30 DIEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424316799 1047363069 /nfs/dbraw/zinc/36/30/69/1047363069.db2.gz BKYYMUHSFQLQCP-HLLBOEOZSA-N 1 0 316.445 4.217 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)cc1 ZINC000796527726 1047377672 /nfs/dbraw/zinc/37/76/72/1047377672.db2.gz KIENXEFVQKEGPZ-UHFFFAOYSA-N 1 0 318.420 4.168 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000618742348 1047407998 /nfs/dbraw/zinc/40/79/98/1047407998.db2.gz XCQXYKWSAFTWLW-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCCCO2 ZINC001142266705 1047419616 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CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc2c(c1)CCCO2 ZINC000842883600 1047511196 /nfs/dbraw/zinc/51/11/96/1047511196.db2.gz DHBWWJREPSABGQ-HXUWFJFHSA-N 1 0 320.436 4.319 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(Cl)ccc1O ZINC000842885601 1047511217 /nfs/dbraw/zinc/51/12/17/1047511217.db2.gz BFHWCMBIZGKJSB-QGZVFWFLSA-N 1 0 314.816 4.353 20 30 DIEDRO Cc1ccccc1C1([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000842888832 1047511354 /nfs/dbraw/zinc/51/13/54/1047511354.db2.gz SJYUQVKLXDCZAU-INIZCTEOSA-N 1 0 306.409 4.237 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000121124897 1047512266 /nfs/dbraw/zinc/51/22/66/1047512266.db2.gz DUXFBMXGMVZWIC-OAHLLOKOSA-N 1 0 302.462 4.036 20 30 DIEDRO N#Cc1ccc2c(C[N@H+]3CCc4ccc(Cl)cc4C3)c[nH]c2c1 ZINC001142912270 1047513302 /nfs/dbraw/zinc/51/33/02/1047513302.db2.gz ZWNSPTKLEJVYKE-UHFFFAOYSA-N 1 0 321.811 4.251 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH]c3cc(C#N)ccc23)cn1 ZINC001142922614 1047514391 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C=CCSc1ccccc1NC(=O)C[N@H+](C)CC1CCCC1 ZINC000060211406 1047536015 /nfs/dbraw/zinc/53/60/15/1047536015.db2.gz MPZZSUIAKBEANS-UHFFFAOYSA-N 1 0 318.486 4.025 20 30 DIEDRO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCc2ccc(Br)cc21 ZINC000537639424 1047536051 /nfs/dbraw/zinc/53/60/51/1047536051.db2.gz JLVRVOGJDUKSLG-MLGOLLRUSA-N 1 0 321.262 4.308 20 30 DIEDRO C=CCN(Cc1cnc(C2CCC2)s1)Cc1cccc(C#N)c1 ZINC000092504593 1047536129 /nfs/dbraw/zinc/53/61/29/1047536129.db2.gz CVVJSRNMSONEEM-UHFFFAOYSA-N 1 0 323.465 4.470 20 30 DIEDRO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CCCC1 ZINC000092667182 1047537688 /nfs/dbraw/zinc/53/76/88/1047537688.db2.gz HIHBHFFPFACLPV-UHFFFAOYSA-N 1 0 322.456 4.086 20 30 DIEDRO CCCCN(CCC#N)Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001143264992 1047546029 /nfs/dbraw/zinc/54/60/29/1047546029.db2.gz UEEHLVNGYDVOBU-UHFFFAOYSA-N 1 0 318.314 4.240 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)ccc1C#N ZINC001203135954 1047546112 /nfs/dbraw/zinc/54/61/12/1047546112.db2.gz HWNBUIBQHSEIMF-QZTJIDSGSA-N 1 0 312.457 4.083 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(OC(F)F)c2)CCCC1 ZINC001203136749 1047550410 /nfs/dbraw/zinc/55/04/10/1047550410.db2.gz SSSWBHBHSRDVGF-UHFFFAOYSA-N 1 0 311.372 4.275 20 30 DIEDRO CC(C)[C@H]1[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC12CC=CC2 ZINC000843432548 1047550777 /nfs/dbraw/zinc/55/07/77/1047550777.db2.gz YFPHAAMBIHNUMV-VQIMIIECSA-N 1 0 310.441 4.154 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CC=CCC2)ccc1OC ZINC000060949569 1047554645 /nfs/dbraw/zinc/55/46/45/1047554645.db2.gz RNTBUZQQSONHRC-MRXNPFEDSA-N 1 0 301.430 4.096 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000477143930 1047597922 /nfs/dbraw/zinc/59/79/22/1047597922.db2.gz REKDIJPTXNYION-KRWDZBQOSA-N 1 0 312.438 4.226 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192755120 1047619390 /nfs/dbraw/zinc/61/93/90/1047619390.db2.gz CECVCJATOXUSOA-SCLBCKFNSA-N 1 0 309.369 4.268 20 30 DIEDRO C=CCC(C)(C)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000477593800 1047627353 /nfs/dbraw/zinc/62/73/53/1047627353.db2.gz VQFXLNFQMCUIOK-QGZVFWFLSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000537950026 1047645549 /nfs/dbraw/zinc/64/55/49/1047645549.db2.gz GHKINCNANNXMDS-WQVCFCJDSA-N 1 0 313.363 4.480 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000537951187 1047646767 /nfs/dbraw/zinc/64/67/67/1047646767.db2.gz CBLBJVLGAKYASL-LLVKDONJSA-N 1 0 319.779 4.185 20 30 DIEDRO C=C(CC)C[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000538002476 1047652476 /nfs/dbraw/zinc/65/24/76/1047652476.db2.gz OHSMKASZGSTEJW-QGZVFWFLSA-N 1 0 318.848 4.054 20 30 DIEDRO C=C(CC)C[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000538002461 1047652973 /nfs/dbraw/zinc/65/29/73/1047652973.db2.gz OHSMKASZGSTEJW-KRWDZBQOSA-N 1 0 318.848 4.054 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000538101266 1047656995 /nfs/dbraw/zinc/65/69/95/1047656995.db2.gz UFDUFNRUJCJLAC-SFHVURJKSA-N 1 0 306.881 4.277 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000538193627 1047662705 /nfs/dbraw/zinc/66/27/05/1047662705.db2.gz DAJZRCKNXGEFLR-ZIAGYGMSSA-N 1 0 319.445 4.389 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)CCCC1 ZINC001206654816 1047674005 /nfs/dbraw/zinc/67/40/05/1047674005.db2.gz DGXUTQPJJJQVAQ-UHFFFAOYSA-N 1 0 319.420 4.229 20 30 DIEDRO CCO[C@@H](CC[NH2+][C@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000538394858 1047674343 /nfs/dbraw/zinc/67/43/43/1047674343.db2.gz AIKIQIYVPFSYMT-BEFAXECRSA-N 1 0 300.446 4.194 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000538394286 1047674347 /nfs/dbraw/zinc/67/43/47/1047674347.db2.gz VBPHPPHWKNDDCC-GOSISDBHSA-N 1 0 314.517 4.373 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(C#N)cc1F ZINC000461361153 1047686331 /nfs/dbraw/zinc/68/63/31/1047686331.db2.gz GOBKQRCHZDQZHA-LLVKDONJSA-N 1 0 304.315 4.486 20 30 DIEDRO Cc1c(C)n(-c2nc(C(C)C)ccc2C#N)c2ccc(C[NH3+])cc12 ZINC001155903274 1047691424 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COc1ccc([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1F ZINC000539242162 1047743890 /nfs/dbraw/zinc/74/38/90/1047743890.db2.gz ZZWNAHILKDAOJP-CYBMUJFWSA-N 1 0 317.791 4.190 20 30 DIEDRO C=CC[NH2+][C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000539275638 1047744065 /nfs/dbraw/zinc/74/40/65/1047744065.db2.gz HVVBGXLCYNSLSN-GOSISDBHSA-N 1 0 311.425 4.072 20 30 DIEDRO C=CCN(c1[nH+]ccc2cc(OC)c(OC)cc21)C(C)(C)C ZINC001157584548 1047746524 /nfs/dbraw/zinc/74/65/24/1047746524.db2.gz CHUKKWUUHJHCIQ-UHFFFAOYSA-N 1 0 300.402 4.043 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000477934449 1047759266 /nfs/dbraw/zinc/75/92/66/1047759266.db2.gz UHPOJSAVKQNRLG-WIBUTAKZSA-N 1 0 324.399 4.126 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(OCC#N)cc1 ZINC000927038482 1047769106 /nfs/dbraw/zinc/76/91/06/1047769106.db2.gz PRBISKGCFOJKOT-HOCLYGCPSA-N 1 0 316.470 4.058 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000478388062 1047782997 /nfs/dbraw/zinc/78/29/97/1047782997.db2.gz TXVKCGOJRKOADS-INIZCTEOSA-N 1 0 312.413 4.485 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001158522742 1047788400 /nfs/dbraw/zinc/78/84/00/1047788400.db2.gz GDBCXEZPJAHGEH-FQEVSTJZSA-N 1 0 322.537 4.462 20 30 DIEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC=C1CC[NH2+]CC1 ZINC001159145246 1047816630 /nfs/dbraw/zinc/81/66/30/1047816630.db2.gz ZWVXGDHDCUAMOI-UHFFFAOYSA-N 1 0 313.401 4.105 20 30 DIEDRO N#Cc1c(Nc2ccc3sccc3c2)sc2c1CC[NH2+]C2 ZINC001159157112 1047817655 /nfs/dbraw/zinc/81/76/55/1047817655.db2.gz AISNDCGHKZWCQC-UHFFFAOYSA-N 1 0 311.435 4.224 20 30 DIEDRO N#Cc1c2ccc(Cl)cc2sc1N=C1CCC[NH2+]CC1 ZINC001159216793 1047821726 /nfs/dbraw/zinc/82/17/26/1047821726.db2.gz OUEVYFDTVINAOM-UHFFFAOYSA-N 1 0 303.818 4.106 20 30 DIEDRO N#Cc1c2ccc(Cl)cc2sc1N=C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159216983 1047822077 /nfs/dbraw/zinc/82/20/77/1047822077.db2.gz YQLJWAHCAYNKES-MNOVXSKESA-N 1 0 315.829 4.246 20 30 DIEDRO N#Cc1c2ccccc2sc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159248640 1047823561 /nfs/dbraw/zinc/82/35/61/1047823561.db2.gz JXYKFGIMWYXVPF-UHFFFAOYSA-N 1 0 305.406 4.162 20 30 DIEDRO C=CCCCNc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001159259480 1047824827 /nfs/dbraw/zinc/82/48/27/1047824827.db2.gz IZPNQEWQLAEGLN-UHFFFAOYSA-N 1 0 307.441 4.018 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2cc(F)cc(C#N)c2)C1 ZINC001159383871 1047838224 /nfs/dbraw/zinc/83/82/24/1047838224.db2.gz LJHKEOOQXYXFMG-JGGQBBKZSA-N 1 0 324.403 4.067 20 30 DIEDRO Cc1cc(C#N)cc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001159391018 1047838543 /nfs/dbraw/zinc/83/85/43/1047838543.db2.gz PEZZTBAZXSTDRE-OIISXLGYSA-N 1 0 320.440 4.236 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(C#N)c(F)c2)C1 ZINC001159390519 1047838867 /nfs/dbraw/zinc/83/88/67/1047838867.db2.gz NHNINAVEKQZLLI-AEGPPILISA-N 1 0 324.403 4.067 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(F)cc2C#N)C1 ZINC001159391470 1047840084 /nfs/dbraw/zinc/84/00/84/1047840084.db2.gz RHHNVHNZKDNNNT-HEHGZKQESA-N 1 0 324.403 4.067 20 30 DIEDRO N#Cc1ccc(-c2csc(Nc3ccc4c(c3)C[NH2+]C4)n2)s1 ZINC001159400187 1047840670 /nfs/dbraw/zinc/84/06/70/1047840670.db2.gz QBNJBKUIYNUYNW-UHFFFAOYSA-N 1 0 324.434 4.090 20 30 DIEDRO CC#CCCCCCCCC(=O)NCCC[NH2+]C1CCCCC1 ZINC001182770091 1047842507 /nfs/dbraw/zinc/84/25/07/1047842507.db2.gz DCDMGYYEMPLQIN-UHFFFAOYSA-N 1 0 320.521 4.169 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC001182806304 1047842628 /nfs/dbraw/zinc/84/26/28/1047842628.db2.gz RVNKHLSKGANXCR-GFCCVEGCSA-N 1 0 312.226 4.376 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)nc2scc(C)n12 ZINC001182844220 1047847267 /nfs/dbraw/zinc/84/72/67/1047847267.db2.gz LSDYNDJPPAQHBI-GJZGRUSLSA-N 1 0 303.475 4.237 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)nc2scc(C)n12 ZINC001182844222 1047847773 /nfs/dbraw/zinc/84/77/73/1047847773.db2.gz LSDYNDJPPAQHBI-HUUCEWRRSA-N 1 0 303.475 4.237 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC001182844702 1047848173 /nfs/dbraw/zinc/84/81/73/1047848173.db2.gz OPZWGWLBABYDGD-NXHRZFHOSA-N 1 0 317.473 4.359 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1c(C)nc2scc(C)n12 ZINC001182844223 1047848595 /nfs/dbraw/zinc/84/85/95/1047848595.db2.gz LSDYNDJPPAQHBI-LSDHHAIUSA-N 1 0 303.475 4.237 20 30 DIEDRO CC(C)Oc1ccc2ccccc2c1CN1CCC[C@@H](C#N)C1 ZINC001197621795 1047849474 /nfs/dbraw/zinc/84/94/74/1047849474.db2.gz KMTUAZDETTVNIV-INIZCTEOSA-N 1 0 308.425 4.363 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC001197701479 1047870277 /nfs/dbraw/zinc/87/02/77/1047870277.db2.gz JVICUFREXNYPJB-CYBMUJFWSA-N 1 0 316.857 4.309 20 30 DIEDRO CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)CC(=O)OC(C)(C)C ZINC001182989751 1047872655 /nfs/dbraw/zinc/87/26/55/1047872655.db2.gz KJPNBBWZBYMGGK-IKGGRYGDSA-N 1 0 322.493 4.052 20 30 DIEDRO CC(C)(C[NH3+])c1ccc(Nc2cccc(C3(C#N)CC3)c2)cc1 ZINC001159580800 1047872624 /nfs/dbraw/zinc/87/26/24/1047872624.db2.gz AYAJBENLPSQTFI-UHFFFAOYSA-N 1 0 305.425 4.222 20 30 DIEDRO N#Cc1cc(Cl)ccc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159590920 1047873842 /nfs/dbraw/zinc/87/38/42/1047873842.db2.gz ZQRDIRFGMVDWSJ-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC001183046608 1047878491 /nfs/dbraw/zinc/87/84/91/1047878491.db2.gz XUBRFLPHFGDRBR-HUUCEWRRSA-N 1 0 305.462 4.388 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC001183046609 1047879270 /nfs/dbraw/zinc/87/92/70/1047879270.db2.gz XUBRFLPHFGDRBR-LSDHHAIUSA-N 1 0 305.462 4.388 20 30 DIEDRO C=C(C[NH+]1CCCC1)C(=O)N(C)[C@H](C)c1cccc2ccccc21 ZINC001183044899 1047880154 /nfs/dbraw/zinc/88/01/54/1047880154.db2.gz PEPCSCXWUXPVRB-QGZVFWFLSA-N 1 0 322.452 4.011 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC001183065004 1047887621 /nfs/dbraw/zinc/88/76/21/1047887621.db2.gz CJIAQGSYGOEMSM-ZDUSSCGKSA-N 1 0 316.857 4.309 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1ccc(OC2CC[NH2+]CC2)cc1 ZINC001159629924 1047887603 /nfs/dbraw/zinc/88/76/03/1047887603.db2.gz LNLGUUCPXBIVDB-UHFFFAOYSA-N 1 0 321.424 4.050 20 30 DIEDRO C#CC[C@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001183065889 1047888115 /nfs/dbraw/zinc/88/81/15/1047888115.db2.gz QYQVRONWLINLPB-QFIPXVFZSA-N 1 0 317.476 4.433 20 30 DIEDRO COc1cccc([C@]2(C)CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC001174573583 1047890579 /nfs/dbraw/zinc/89/05/79/1047890579.db2.gz FWCBYXDDGNBDSW-IIBYNOLFSA-N 1 0 320.436 4.291 20 30 DIEDRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001183197158 1047903748 /nfs/dbraw/zinc/90/37/48/1047903748.db2.gz OFKRFKBGZFUFSG-SJLPKXTDSA-N 1 0 313.489 4.331 20 30 DIEDRO Cc1cc(C)c(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c(Cl)c1 ZINC001159704013 1047905014 /nfs/dbraw/zinc/90/50/14/1047905014.db2.gz RVBNPZZILTYIKZ-UHFFFAOYSA-N 1 0 311.816 4.259 20 30 DIEDRO N#Cc1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)c(F)c1F ZINC001159703449 1047905077 /nfs/dbraw/zinc/90/50/77/1047905077.db2.gz JTPFARIPSBFREC-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO N#CC1(c2ccc(Nc3ccc4c(c3)CC[NH2+]C4)cc2)CCCC1 ZINC001159706747 1047906536 /nfs/dbraw/zinc/90/65/36/1047906536.db2.gz LTRPGJNPKXRXRH-UHFFFAOYSA-N 1 0 317.436 4.411 20 30 DIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000479496493 1047910994 /nfs/dbraw/zinc/91/09/94/1047910994.db2.gz JEVYOVPFZUPHMZ-UTKZUKDTSA-N 1 0 322.452 4.247 20 30 DIEDRO Cc1cc(F)cc(Cl)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159733375 1047912680 /nfs/dbraw/zinc/91/26/80/1047912680.db2.gz NIHGJTKYBHAUNG-UHFFFAOYSA-N 1 0 315.779 4.090 20 30 DIEDRO N#Cc1cc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc(F)c1F ZINC001159755814 1047913984 /nfs/dbraw/zinc/91/39/84/1047913984.db2.gz QQJXJADGCLOVHQ-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO N#Cc1c(F)cc(Nc2cccc(C3CC[NH2+]CC3)c2)cc1F ZINC001159757171 1047915533 /nfs/dbraw/zinc/91/55/33/1047915533.db2.gz LJDBMBXJRCNYNU-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO C=CC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C(C)(C)C ZINC001174641530 1047919205 /nfs/dbraw/zinc/91/92/05/1047919205.db2.gz KPRQWXBJSKFUHT-CQSZACIVSA-N 1 0 302.245 4.313 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001183336134 1047922808 /nfs/dbraw/zinc/92/28/08/1047922808.db2.gz MSOOJACGBKYNKW-GJZGRUSLSA-N 1 0 301.352 4.073 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)CCCCC1 ZINC001198086093 1047924206 /nfs/dbraw/zinc/92/42/06/1047924206.db2.gz XTPKLYLBCFARMT-UHFFFAOYSA-N 1 0 323.436 4.226 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3c(F)cccc3F)CC2)cc1 ZINC001198210671 1047934505 /nfs/dbraw/zinc/93/45/05/1047934505.db2.gz KLLUAFLAZXLXHK-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001198185518 1047935941 /nfs/dbraw/zinc/93/59/41/1047935941.db2.gz QLBDELJJMCKFBM-APWZRJJASA-N 1 0 322.493 4.112 20 30 DIEDRO COc1ccc(C[NH2+]CC[C@@H](C)CCC=C(C)C)cc1C#N ZINC001183526248 1047936057 /nfs/dbraw/zinc/93/60/57/1047936057.db2.gz MAOQANBDCLTBOX-INIZCTEOSA-N 1 0 300.446 4.429 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC001198269616 1047943278 /nfs/dbraw/zinc/94/32/78/1047943278.db2.gz BFIKZIHOLPWDQD-SQZREULQSA-N 1 0 302.421 4.279 20 30 DIEDRO Cc1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c(F)cc1Cl ZINC001159895544 1047943495 /nfs/dbraw/zinc/94/34/95/1047943495.db2.gz GYZGLCUCMFLDSA-UHFFFAOYSA-N 1 0 315.779 4.090 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC001183606491 1047944874 /nfs/dbraw/zinc/94/48/74/1047944874.db2.gz KGBJWLDKHQTPQU-QZTJIDSGSA-N 1 0 300.446 4.213 20 30 DIEDRO C=CCCCC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000479666152 1047948422 /nfs/dbraw/zinc/94/84/22/1047948422.db2.gz MUAHOOLYYBUQEK-UHFFFAOYSA-N 1 0 300.446 4.343 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC001198406369 1047953955 /nfs/dbraw/zinc/95/39/55/1047953955.db2.gz JEBKTFKGSIQUSG-CQSZACIVSA-N 1 0 306.837 4.018 20 30 DIEDRO CCCCCCC[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC001174723569 1047956366 /nfs/dbraw/zinc/95/63/66/1047956366.db2.gz DBAQJUVALFMCDG-INIZCTEOSA-N 1 0 317.395 4.473 20 30 DIEDRO CCCCCCC[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC001174723571 1047956950 /nfs/dbraw/zinc/95/69/50/1047956950.db2.gz DBAQJUVALFMCDG-MRXNPFEDSA-N 1 0 317.395 4.473 20 30 DIEDRO C=C1CCC(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001183729145 1047961334 /nfs/dbraw/zinc/96/13/34/1047961334.db2.gz WQHUVJWKXDJSDC-UHFFFAOYSA-N 1 0 322.493 4.016 20 30 DIEDRO CC(C)Cc1cccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001160010906 1047968971 /nfs/dbraw/zinc/96/89/71/1047968971.db2.gz CIBIUDOZNOTCHB-UHFFFAOYSA-N 1 0 305.425 4.187 20 30 DIEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000553992987 1047978714 /nfs/dbraw/zinc/97/87/14/1047978714.db2.gz WKVHBTPYHXGQKJ-DLBZAZTESA-N 1 0 306.494 4.234 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CCc1cccc2c1OCCO2 ZINC001183958140 1047986258 /nfs/dbraw/zinc/98/62/58/1047986258.db2.gz GJWNFWZSVORPQU-INIZCTEOSA-N 1 0 303.446 4.115 20 30 DIEDRO C=CCCC[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000774714125 1047997033 /nfs/dbraw/zinc/99/70/33/1047997033.db2.gz PWEFWEQMWQWBIW-BBWFWOEESA-N 1 0 324.509 4.356 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)c(OC)c1 ZINC001198685277 1047998008 /nfs/dbraw/zinc/99/80/08/1047998008.db2.gz INQUOPQNQRSFRS-CQSZACIVSA-N 1 0 304.434 4.074 20 30 DIEDRO C#Cc1ccc(NC2CC[NH+](CCC(C)C)CC2)c(Cl)c1 ZINC001184097135 1047997904 /nfs/dbraw/zinc/99/79/04/1047997904.db2.gz DGVOCHKRJANSJB-UHFFFAOYSA-N 1 0 304.865 4.244 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)CCO1 ZINC001198761418 1048005906 /nfs/dbraw/zinc/00/59/06/1048005906.db2.gz KLCGMUOHSRCRPW-IAGOWNOFSA-N 1 0 320.436 4.225 20 30 DIEDRO N#Cc1cc(Cl)c(Cl)cc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001160250038 1048009419 /nfs/dbraw/zinc/00/94/19/1048009419.db2.gz NFFLTWCIHYNLMM-UHFFFAOYSA-N 1 0 318.207 4.254 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC001174891716 1048012605 /nfs/dbraw/zinc/01/26/05/1048012605.db2.gz VLURDDWSHVKDDS-CYBMUJFWSA-N 1 0 302.418 4.347 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184326324 1048031209 /nfs/dbraw/zinc/03/12/09/1048031209.db2.gz CYZPJDIYAZYICL-CJNGLKHVSA-N 1 0 310.869 4.205 20 30 DIEDRO C=CCC[C@H](CC)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001184427951 1048038522 /nfs/dbraw/zinc/03/85/22/1048038522.db2.gz DXFCTZYRWMDVOQ-HNNXBMFYSA-N 1 0 315.486 4.163 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001184428574 1048039128 /nfs/dbraw/zinc/03/91/28/1048039128.db2.gz NJWHAECJOTZUPC-XKGZKEIXSA-N 1 0 315.457 4.394 20 30 DIEDRO CCCC[C@H](CC)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000480052017 1048041115 /nfs/dbraw/zinc/04/11/15/1048041115.db2.gz UYLTZZQFBSXZAC-INIZCTEOSA-N 1 0 324.472 4.265 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000237506229 1048044242 /nfs/dbraw/zinc/04/42/42/1048044242.db2.gz FSBYVGOZPSEFPL-YWZLYKJASA-N 1 0 306.409 4.145 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC001199376384 1048063252 /nfs/dbraw/zinc/06/32/52/1048063252.db2.gz GNHKLCMVCBINGF-FUHWJXTLSA-N 1 0 316.514 4.074 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000774774450 1048079287 /nfs/dbraw/zinc/07/92/87/1048079287.db2.gz ZQHFLCFNEKTWSU-ZDUSSCGKSA-N 1 0 300.789 4.093 20 30 DIEDRO COC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC(c2ccccc2)CC1 ZINC000554374198 1048083479 /nfs/dbraw/zinc/08/34/79/1048083479.db2.gz QGMBYIRBBLQLOT-OTBHMBEGSA-N 1 0 312.457 4.011 20 30 DIEDRO CC(C)CC[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000776025020 1048101352 /nfs/dbraw/zinc/10/13/52/1048101352.db2.gz LZJYVIOFMJYRRE-ZWKOTPCHSA-N 1 0 302.462 4.032 20 30 DIEDRO CC(C)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000776025018 1048101655 /nfs/dbraw/zinc/10/16/55/1048101655.db2.gz LZJYVIOFMJYRRE-QZTJIDSGSA-N 1 0 302.462 4.032 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@H+](CC)C[C@H]1C ZINC001160999925 1048101458 /nfs/dbraw/zinc/10/14/58/1048101458.db2.gz DQBVPYZRQQRRKT-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCN(C(=O)[C@H]([NH3+])c1ccc2ccccc2c1)C1CCCCC1 ZINC001161248468 1048117318 /nfs/dbraw/zinc/11/73/18/1048117318.db2.gz ZWROTVGYJQLOSF-HXUWFJFHSA-N 1 0 322.452 4.187 20 30 DIEDRO C#CCCC[NH2+][C@@H](c1ccc(OCC)c(OCC)c1)C(C)C ZINC000774827924 1048125536 /nfs/dbraw/zinc/12/55/36/1048125536.db2.gz QGUREWANKQOHJU-LJQANCHMSA-N 1 0 303.446 4.184 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(C(C)C)CC2)cc1OC ZINC001200891564 1048153469 /nfs/dbraw/zinc/15/34/69/1048153469.db2.gz QBQYMDSICVHSDA-UHFFFAOYSA-N 1 0 323.864 4.439 20 30 DIEDRO N#Cc1ccc(F)cc1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001185262213 1048154093 /nfs/dbraw/zinc/15/40/93/1048154093.db2.gz AKDVBCOISVXSFB-SFHVURJKSA-N 1 0 315.436 4.154 20 30 DIEDRO C=CC[C@@H](C)[NH2+]C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC001175202627 1048174597 /nfs/dbraw/zinc/17/45/97/1048174597.db2.gz GKVOWGLZDQPBCG-OAHLLOKOSA-N 1 0 311.425 4.347 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCOCC)C1 ZINC001201035466 1048183279 /nfs/dbraw/zinc/18/32/79/1048183279.db2.gz GROJEBGJDXBPHJ-IEBWSBKVSA-N 1 0 317.473 4.245 20 30 DIEDRO C=C(C)C[C@@H](C)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000554784159 1048185208 /nfs/dbraw/zinc/18/52/08/1048185208.db2.gz FDBJEDOIJXCUJZ-OAHLLOKOSA-N 1 0 311.429 4.402 20 30 DIEDRO Cc1ccccc1SC[C@H](C)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC001175252031 1048194295 /nfs/dbraw/zinc/19/42/95/1048194295.db2.gz ZYTUNMCLNUOXLB-PVAVHDDUSA-N 1 0 302.487 4.347 20 30 DIEDRO C[C@H]([NH2+]CCSc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000554848400 1048207087 /nfs/dbraw/zinc/20/70/87/1048207087.db2.gz JJJRLOIYMCGLAY-ZDUSSCGKSA-N 1 0 300.402 4.140 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)Cc2ccc(O)cc2)cc1Cl ZINC000554883704 1048221358 /nfs/dbraw/zinc/22/13/58/1048221358.db2.gz KRYVERWXKPJWQV-UHFFFAOYSA-N 1 0 317.816 4.242 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNc1nc2cccc(F)c2o1)C(C)C ZINC001162095206 1048225732 /nfs/dbraw/zinc/22/57/32/1048225732.db2.gz LWJYSYIVCGLJOX-INIZCTEOSA-N 1 0 317.408 4.077 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNc1cc(C)cc(F)c1C#N)C(C)C ZINC001162094831 1048225810 /nfs/dbraw/zinc/22/58/10/1048225810.db2.gz FXDWHJNQTMFNTO-IBGZPJMESA-N 1 0 315.436 4.116 20 30 DIEDRO COCCC1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CCCCC1 ZINC000480749476 1048233292 /nfs/dbraw/zinc/23/32/92/1048233292.db2.gz NZWFVMIAXYHALA-OAHLLOKOSA-N 1 0 318.436 4.335 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCC2CCOCC2)cc1 ZINC001162225914 1048246475 /nfs/dbraw/zinc/24/64/75/1048246475.db2.gz ITBJVXVIAYRDPY-FQEVSTJZSA-N 1 0 314.473 4.238 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000776162973 1048251192 /nfs/dbraw/zinc/25/11/92/1048251192.db2.gz LCDPPCGKGRKRJC-QRWLVFNGSA-N 1 0 322.452 4.240 20 30 DIEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000776162974 1048252310 /nfs/dbraw/zinc/25/23/10/1048252310.db2.gz LCDPPCGKGRKRJC-YWZLYKJASA-N 1 0 322.452 4.240 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(Cl)c(F)c2C#N)c1 ZINC001201403283 1048252321 /nfs/dbraw/zinc/25/23/21/1048252321.db2.gz LKXYJIYEQCWAIH-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000776167347 1048265292 /nfs/dbraw/zinc/26/52/92/1048265292.db2.gz CQZLZKZKTLBMAV-JKSUJKDBSA-N 1 0 320.452 4.058 20 30 DIEDRO C[C@H]([NH2+]CCC1Cc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000776171747 1048266876 /nfs/dbraw/zinc/26/68/76/1048266876.db2.gz PVQQNEMVZKVEIF-INIZCTEOSA-N 1 0 320.436 4.045 20 30 DIEDRO CCCCCCC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC001175332036 1048268543 /nfs/dbraw/zinc/26/85/43/1048268543.db2.gz AKZVMXFDBUOCGJ-MRXNPFEDSA-N 1 0 301.833 4.463 20 30 DIEDRO CC[C@@H]1CN(Cc2nc(C#N)cs2)CC[C@@H]1c1ccccc1 ZINC000555095413 1048271414 /nfs/dbraw/zinc/27/14/14/1048271414.db2.gz YBEMTLDBWIKVBB-PBHICJAKSA-N 1 0 311.454 4.030 20 30 DIEDRO CC(C)(C)C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001201441358 1048274649 /nfs/dbraw/zinc/27/46/49/1048274649.db2.gz CHGVBGGHKJOURD-UHFFFAOYSA-N 1 0 317.436 4.478 20 30 DIEDRO N#Cc1c(F)cccc1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001186248648 1048275620 /nfs/dbraw/zinc/27/56/20/1048275620.db2.gz NIAKATRREULWHF-UHFFFAOYSA-N 1 0 315.436 4.156 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001175361791 1048276854 /nfs/dbraw/zinc/27/68/54/1048276854.db2.gz KGUTVCPPSCABSL-RBUKOAKNSA-N 1 0 305.437 4.364 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001175361792 1048277374 /nfs/dbraw/zinc/27/73/74/1048277374.db2.gz KGUTVCPPSCABSL-RTBURBONSA-N 1 0 305.437 4.364 20 30 DIEDRO COc1ccc(C#N)cc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175363351 1048277923 /nfs/dbraw/zinc/27/79/23/1048277923.db2.gz DDRLDEAFKGLJBW-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO N#CCc1ccccc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175363888 1048279967 /nfs/dbraw/zinc/27/99/67/1048279967.db2.gz PIAIPCSMPRQENB-UHFFFAOYSA-N 1 0 305.425 4.482 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@@H](C)CCC=C(C)C)C2 ZINC001201489161 1048281482 /nfs/dbraw/zinc/28/14/82/1048281482.db2.gz AIPJIGQGRHDXOM-UFYCRDLUSA-N 1 0 321.505 4.195 20 30 DIEDRO CC(C)(C)[PH+](CCCNc1cnc(C#N)cn1)C(C)(C)C ZINC001162473169 1048285652 /nfs/dbraw/zinc/28/56/52/1048285652.db2.gz BJZQXVKAXNJAOI-UHFFFAOYSA-N 1 0 306.394 4.229 20 30 DIEDRO CC[C@@H](C)C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001201513815 1048294279 /nfs/dbraw/zinc/29/42/79/1048294279.db2.gz BZEHVUMKMQSYAN-CYBMUJFWSA-N 1 0 306.837 4.101 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(C)Cc3ccccc3C2)cc1 ZINC001201513222 1048294777 /nfs/dbraw/zinc/29/47/77/1048294777.db2.gz XMXFJVFYKRRABX-UHFFFAOYSA-N 1 0 304.437 4.135 20 30 DIEDRO Cc1coc(N=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1C#N ZINC001201474683 1048294793 /nfs/dbraw/zinc/29/47/93/1048294793.db2.gz KLIBPUSKWBGDPE-MSOLQXFVSA-N 1 0 319.408 4.192 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N[C@](C)(C#N)CC(C)C)nc1 ZINC001162520293 1048294857 /nfs/dbraw/zinc/29/48/57/1048294857.db2.gz WMWGNZYNOJAYLP-HKUYNNGSSA-N 1 0 314.477 4.369 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(Br)c1 ZINC000481054849 1048303260 /nfs/dbraw/zinc/30/32/60/1048303260.db2.gz KPWFHCXVZGBCSM-XJKSGUPXSA-N 1 0 319.246 4.085 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(Cc3ccccc3Cl)CC2)C1 ZINC001175436079 1048307240 /nfs/dbraw/zinc/30/72/40/1048307240.db2.gz DRLMLIBFYJUYFN-RDJZCZTQSA-N 1 0 302.849 4.287 20 30 DIEDRO COc1ccc(C#N)cc1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001201585394 1048324421 /nfs/dbraw/zinc/32/44/21/1048324421.db2.gz MELPAFUFYVFBNX-UHFFFAOYSA-N 1 0 321.424 4.120 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001201604525 1048329915 /nfs/dbraw/zinc/32/99/15/1048329915.db2.gz ZDVLWWFLSQAUEZ-UHFFFAOYSA-N 1 0 304.437 4.055 20 30 DIEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000481265382 1048346856 /nfs/dbraw/zinc/34/68/56/1048346856.db2.gz AWYJAEBMZVHMNL-RISCZKNCSA-N 1 0 307.235 4.084 20 30 DIEDRO C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCc1cccc(C#N)c1 ZINC001175522237 1048353159 /nfs/dbraw/zinc/35/31/59/1048353159.db2.gz FCPXIAQNBWXPBQ-ZDUSSCGKSA-N 1 0 300.352 4.072 20 30 DIEDRO C[C@H](c1ccc(F)cc1F)[N@H+](C)CCc1cccc(C#N)c1 ZINC001175522235 1048354389 /nfs/dbraw/zinc/35/43/89/1048354389.db2.gz FCPXIAQNBWXPBQ-CYBMUJFWSA-N 1 0 300.352 4.072 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1ccc(C)o1 ZINC001201762500 1048371203 /nfs/dbraw/zinc/37/12/03/1048371203.db2.gz NACNNJOZIARIES-MOPGFXCFSA-N 1 0 304.478 4.207 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001201798376 1048374925 /nfs/dbraw/zinc/37/49/25/1048374925.db2.gz WGZCOLHWPQUQGR-IYBDPMFKSA-N 1 0 309.457 4.487 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001201814997 1048376519 /nfs/dbraw/zinc/37/65/19/1048376519.db2.gz VORVOSMXAFQILE-FQEVSTJZSA-N 1 0 320.521 4.071 20 30 DIEDRO CCCCCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201776810 1048377398 /nfs/dbraw/zinc/37/73/98/1048377398.db2.gz MEFVWDXVBRXEBM-KRWDZBQOSA-N 1 0 320.525 4.070 20 30 DIEDRO CCCCCCCC[N@H+]1Cc2nn(CC)cc2[C@@H](COCC)C1 ZINC001201814256 1048377513 /nfs/dbraw/zinc/37/75/13/1048377513.db2.gz MZPZQGJFMCWOBC-QGZVFWFLSA-N 1 0 321.509 4.199 20 30 DIEDRO CCCCCCC[NH+]1CCC(c2nc3ccc(C)cn3n2)CC1 ZINC001201776516 1048377722 /nfs/dbraw/zinc/37/77/22/1048377722.db2.gz DZUZMUQRDBRXSU-UHFFFAOYSA-N 1 0 314.477 4.188 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001201814998 1048378268 /nfs/dbraw/zinc/37/82/68/1048378268.db2.gz VORVOSMXAFQILE-HXUWFJFHSA-N 1 0 320.521 4.071 20 30 DIEDRO CCCCCCC[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001201787881 1048380209 /nfs/dbraw/zinc/38/02/09/1048380209.db2.gz PDIIWIJMNMRJFS-UHFFFAOYSA-N 1 0 319.371 4.238 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2nc(C(C)(C)C)ccc2C#N)c1 ZINC001162902043 1048380733 /nfs/dbraw/zinc/38/07/33/1048380733.db2.gz FAQHJYSRHJAHIG-ZDUSSCGKSA-N 1 0 318.424 4.214 20 30 DIEDRO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001201788106 1048381263 /nfs/dbraw/zinc/38/12/63/1048381263.db2.gz XFGNIDGORBVTPA-BJWYYQGGSA-N 1 0 324.509 4.477 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(Oc2ccncn2)CC1 ZINC001201852820 1048382088 /nfs/dbraw/zinc/38/20/88/1048382088.db2.gz NCQWJOWFVKSSFX-UHFFFAOYSA-N 1 0 305.466 4.070 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(N(C(C)=O)C(C)C)CC1 ZINC001201852849 1048382353 /nfs/dbraw/zinc/38/23/53/1048382353.db2.gz OOGIONKATVRENX-UHFFFAOYSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCC[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001201826560 1048383261 /nfs/dbraw/zinc/38/32/61/1048383261.db2.gz ZUSHBCXBKQDHPG-UHFFFAOYSA-N 1 0 304.478 4.423 20 30 DIEDRO CCCCCCCC[NH+]1CCC(C)(C(=O)N2CCCC2)CC1 ZINC001201825716 1048383535 /nfs/dbraw/zinc/38/35/35/1048383535.db2.gz DLSZPOJSHCGENS-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3c(C#N)nccc3c2)c1 ZINC001162914134 1048385946 /nfs/dbraw/zinc/38/59/46/1048385946.db2.gz NQECCCIURYPVGN-CYBMUJFWSA-N 1 0 312.376 4.070 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000600186380 1048386146 /nfs/dbraw/zinc/38/61/46/1048386146.db2.gz YECZLVOXJVFACI-OAHLLOKOSA-N 1 0 306.400 4.474 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001201846270 1048387059 /nfs/dbraw/zinc/38/70/59/1048387059.db2.gz DXLDNAGPCMRXCZ-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001201840188 1048387366 /nfs/dbraw/zinc/38/73/66/1048387366.db2.gz WMTOMYQGMHUGEP-SFHVURJKSA-N 1 0 321.509 4.199 20 30 DIEDRO N#CCSCCC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481394388 1048389969 /nfs/dbraw/zinc/38/99/69/1048389969.db2.gz VKHRKEYXLVAEKK-HNNXBMFYSA-N 1 0 306.450 4.042 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001201847340 1048390206 /nfs/dbraw/zinc/39/02/06/1048390206.db2.gz VFWZSLQAKRVTAN-HXUWFJFHSA-N 1 0 314.473 4.333 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1CCC1 ZINC001201880503 1048393021 /nfs/dbraw/zinc/39/30/21/1048393021.db2.gz DPWFJFQKDQWGCW-INIZCTEOSA-N 1 0 320.436 4.415 20 30 DIEDRO C=CCC1([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001206680743 1048399754 /nfs/dbraw/zinc/39/97/54/1048399754.db2.gz SAASANUGMGQYCO-SFHVURJKSA-N 1 0 322.493 4.112 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775130253 1048413426 /nfs/dbraw/zinc/41/34/26/1048413426.db2.gz NSAWSAYQWOVYHZ-NHCUHLMSSA-N 1 0 322.452 4.359 20 30 DIEDRO N#Cc1cccc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001175799631 1048439349 /nfs/dbraw/zinc/43/93/49/1048439349.db2.gz LQMMMYKTJASGRW-UHFFFAOYSA-N 1 0 321.424 4.167 20 30 DIEDRO N#Cc1ccccc1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175799009 1048439810 /nfs/dbraw/zinc/43/98/10/1048439810.db2.gz CQVSMJZWBUCLAG-UHFFFAOYSA-N 1 0 321.424 4.167 20 30 DIEDRO N#CCc1cc2ccccc2c(N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163237965 1048442340 /nfs/dbraw/zinc/44/23/40/1048442340.db2.gz KHKOXSUONLMKEI-GOSISDBHSA-N 1 0 319.433 4.224 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCCSC[C@@H]2c2ccccc2)cc1 ZINC001175770061 1048445716 /nfs/dbraw/zinc/44/57/16/1048445716.db2.gz WGXRIOWFNHJLGA-HXUWFJFHSA-N 1 0 322.477 4.433 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C(C)C)CC2)cc1C#N ZINC001202084079 1048445919 /nfs/dbraw/zinc/44/59/19/1048445919.db2.gz RZDAVQXRJLMWFD-FUHWJXTLSA-N 1 0 300.446 4.261 20 30 DIEDRO C=CCCC[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC001175766782 1048445793 /nfs/dbraw/zinc/44/57/93/1048445793.db2.gz FAEMZUHVQIGKJG-SFTDATJTSA-N 1 0 320.436 4.279 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(C)C)CC2)cc1C#N ZINC001202084080 1048446348 /nfs/dbraw/zinc/44/63/48/1048446348.db2.gz RZDAVQXRJLMWFD-SJLPKXTDSA-N 1 0 300.446 4.261 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1)[C@H]1CCCO1 ZINC001202074236 1048454392 /nfs/dbraw/zinc/45/43/92/1048454392.db2.gz KJKWURQKQTWTID-FCHUYYIVSA-N 1 0 319.448 4.241 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCNc1ccccc1 ZINC000481678570 1048454569 /nfs/dbraw/zinc/45/45/69/1048454569.db2.gz PWOGTTATHKFADD-OAQYLSRUSA-N 1 0 319.452 4.418 20 30 DIEDRO N#CCC1(CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1 ZINC000899874874 1048460631 /nfs/dbraw/zinc/46/06/31/1048460631.db2.gz NXQKYHGTBURUIY-UHFFFAOYSA-N 1 0 321.302 4.239 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000776254676 1048467610 /nfs/dbraw/zinc/46/76/10/1048467610.db2.gz KHPZRYXEDWPTQJ-AWEZNQCLSA-N 1 0 319.449 4.263 20 30 DIEDRO Cc1ccc(C#N)c(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001163546173 1048486120 /nfs/dbraw/zinc/48/61/20/1048486120.db2.gz YFXAHYOZWYBSGN-SFHVURJKSA-N 1 0 323.465 4.018 20 30 DIEDRO C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001202241702 1048503336 /nfs/dbraw/zinc/50/33/36/1048503336.db2.gz HSIPFUSMDZADTH-KKSFZXQISA-N 1 0 304.437 4.404 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@H](CCC(C)C)C2)ccc1C#N ZINC001202298552 1048514857 /nfs/dbraw/zinc/51/48/57/1048514857.db2.gz CGERRBGJEIWVKZ-YJBOKZPZSA-N 1 0 300.446 4.261 20 30 DIEDRO Cc1c(C)n(-c2ccc(CC#N)c(C)c2)c2ccc(C[NH3+])cc12 ZINC001163760911 1048518805 /nfs/dbraw/zinc/51/88/05/1048518805.db2.gz AVKYEHXMZXJWBX-UHFFFAOYSA-N 1 0 303.409 4.081 20 30 DIEDRO Cc1c(C)n(-c2ccc(C#N)c3[nH]ccc32)c2ccc(C[NH3+])cc12 ZINC001163761344 1048519803 /nfs/dbraw/zinc/51/98/03/1048519803.db2.gz ARHITXNLRWYSMU-UHFFFAOYSA-N 1 0 314.392 4.059 20 30 DIEDRO Cc1c(C)n(-c2cc(Cl)ccc2CC#N)c2ccc(C[NH3+])cc12 ZINC001163761959 1048520295 /nfs/dbraw/zinc/52/02/95/1048520295.db2.gz PUCHQUIJLIFEFV-UHFFFAOYSA-N 1 0 323.827 4.426 20 30 DIEDRO COc1ccc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c(CC#N)c1 ZINC001163848100 1048538721 /nfs/dbraw/zinc/53/87/21/1048538721.db2.gz LGEUZRDHCALNJN-UHFFFAOYSA-N 1 0 323.440 4.367 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2(CC=C)CCCC2)cc(OC)c1O ZINC001202380191 1048538795 /nfs/dbraw/zinc/53/87/95/1048538795.db2.gz CSEURJUQQFKQHL-UHFFFAOYSA-N 1 0 315.457 4.355 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(O[C@H](C)COC)cc2)CCCCC1 ZINC001202409401 1048541467 /nfs/dbraw/zinc/54/14/67/1048541467.db2.gz WSLRCSPTOLXSJX-QGZVFWFLSA-N 1 0 317.473 4.469 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c1 ZINC001202409358 1048541497 /nfs/dbraw/zinc/54/14/97/1048541497.db2.gz VXVNRJFIFLBFPS-UHFFFAOYSA-N 1 0 311.400 4.255 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC001202435392 1048552380 /nfs/dbraw/zinc/55/23/80/1048552380.db2.gz JDIWESCCAKPYJM-UHFFFAOYSA-N 1 0 311.473 4.472 20 30 DIEDRO N#CCCOCCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000338911851 1048564267 /nfs/dbraw/zinc/56/42/67/1048564267.db2.gz BGLNRIOMVZJLAV-OAHLLOKOSA-N 1 0 313.228 4.061 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)C2CCCCC2)cc1 ZINC000775207216 1048566203 /nfs/dbraw/zinc/56/62/03/1048566203.db2.gz SDJFESOVPZIPJG-HOTGVXAUSA-N 1 0 300.446 4.378 20 30 DIEDRO N#Cc1ccc(F)c(F)c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176197492 1048594369 /nfs/dbraw/zinc/59/43/69/1048594369.db2.gz GMRDARBUGPLGQW-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)cc1 ZINC001202475461 1048600535 /nfs/dbraw/zinc/60/05/35/1048600535.db2.gz WBVRSHSXQKSYOI-UHFFFAOYSA-N 1 0 318.445 4.390 20 30 DIEDRO C[NH+](C)CCOc1ccc(Nc2cccc(C(C)(C)C#N)c2)cc1 ZINC001176229486 1048610631 /nfs/dbraw/zinc/61/06/31/1048610631.db2.gz WMRFBDYTVYFMDU-UHFFFAOYSA-N 1 0 323.440 4.172 20 30 DIEDRO Cc1cc(C#N)cc(C#N)c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176198504 1048615974 /nfs/dbraw/zinc/61/59/74/1048615974.db2.gz IVZLYSOFIHPMMR-UHFFFAOYSA-N 1 0 316.408 4.078 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2c(F)cc(C#N)cc2Cl)cc1 ZINC001176292607 1048622160 /nfs/dbraw/zinc/62/21/60/1048622160.db2.gz SWPXVFSGXKBQLW-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1 ZINC000850226235 1048624007 /nfs/dbraw/zinc/62/40/07/1048624007.db2.gz LIWKSPWPPHTPMG-SFHVURJKSA-N 1 0 309.384 4.221 20 30 DIEDRO N#Cc1ccc2c(c1)CCN(c1nccc3cc(Cl)ccc31)C2 ZINC001164477762 1048632711 /nfs/dbraw/zinc/63/27/11/1048632711.db2.gz PAJTYBVTZRVTFK-UHFFFAOYSA-N 1 0 319.795 4.323 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCC[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000850338921 1048633799 /nfs/dbraw/zinc/63/37/99/1048633799.db2.gz LXAWYGFEPRRMFC-HNNXBMFYSA-N 1 0 323.267 4.305 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000482628833 1048648621 /nfs/dbraw/zinc/64/86/21/1048648621.db2.gz KZOAKJIHBJHQCT-KRWDZBQOSA-N 1 0 300.490 4.186 20 30 DIEDRO Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000850411982 1048650095 /nfs/dbraw/zinc/65/00/95/1048650095.db2.gz QHDBYPBNQKDIMJ-IERDGZPVSA-N 1 0 320.436 4.453 20 30 DIEDRO Cc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000850411983 1048650128 /nfs/dbraw/zinc/65/01/28/1048650128.db2.gz QHDBYPBNQKDIMJ-IIBYNOLFSA-N 1 0 320.436 4.453 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1ccccc1 ZINC000850448353 1048659930 /nfs/dbraw/zinc/65/99/30/1048659930.db2.gz MZMMTRROIDEBLJ-BBRMVZONSA-N 1 0 300.352 4.434 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc(F)c(F)c1 ZINC000775319443 1048664327 /nfs/dbraw/zinc/66/43/27/1048664327.db2.gz UHSKXNGEWIWQDA-IBGZPJMESA-N 1 0 315.363 4.402 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850524763 1048678958 /nfs/dbraw/zinc/67/89/58/1048678958.db2.gz DGEOOMAHIYUJSD-HBMCJLEFSA-N 1 0 318.420 4.094 20 30 DIEDRO C#CC[N@@H+](CCc1csc(C)n1)[C@H]1CCCc2ccccc21 ZINC001176452234 1048687391 /nfs/dbraw/zinc/68/73/91/1048687391.db2.gz IUDJVORUPSCHBQ-IBGZPJMESA-N 1 0 310.466 4.007 20 30 DIEDRO C#CC[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CCCc2ccccc21 ZINC001176453386 1048688210 /nfs/dbraw/zinc/68/82/10/1048688210.db2.gz SVOOQABZCIGARD-YJBOKZPZSA-N 1 0 303.396 4.435 20 30 DIEDRO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccc(OCC#N)cc1 ZINC000850549699 1048688917 /nfs/dbraw/zinc/68/89/17/1048688917.db2.gz KCBSIUZCVQIDFR-KTAKPFMOSA-N 1 0 320.383 4.208 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)c2c1c(F)ccc2O ZINC000850549594 1048689382 /nfs/dbraw/zinc/68/93/82/1048689382.db2.gz HMLUIKUTTUKCCH-GXTWGEPZSA-N 1 0 302.393 4.143 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000924782310 1048704907 /nfs/dbraw/zinc/70/49/07/1048704907.db2.gz MHQDBQLMQIOMDX-NXHRZFHOSA-N 1 0 300.446 4.072 20 30 DIEDRO C[N@H+](CCCCc1ccccc1)CCCOc1cccc(C#N)c1 ZINC001190373676 1048731404 /nfs/dbraw/zinc/73/14/04/1048731404.db2.gz DBOCKXZSLIXXDN-UHFFFAOYSA-N 1 0 322.452 4.282 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000775379544 1048731923 /nfs/dbraw/zinc/73/19/23/1048731923.db2.gz DHUKQOPXRKJXJU-VBKZILBWSA-N 1 0 318.420 4.221 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnc2ccccc2c1 ZINC000775382927 1048732609 /nfs/dbraw/zinc/73/26/09/1048732609.db2.gz QWKDUIPFHRTCNR-NRFANRHFSA-N 1 0 313.404 4.274 20 30 DIEDRO CC[N@H+](CCN1CCc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC001190475680 1048739110 /nfs/dbraw/zinc/73/91/10/1048739110.db2.gz KXGDWGGCLISMKT-QGZVFWFLSA-N 1 0 319.452 4.004 20 30 DIEDRO CCC1(Cc2ccccc2)CC[NH+](CCCSCC#N)CC1 ZINC000483132680 1048745284 /nfs/dbraw/zinc/74/52/84/1048745284.db2.gz VSVWCJSJECROIN-UHFFFAOYSA-N 1 0 316.514 4.368 20 30 DIEDRO N#Cc1ccc(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC001166393832 1048750092 /nfs/dbraw/zinc/75/00/92/1048750092.db2.gz WLKSPDRRUDBHNC-GOSISDBHSA-N 1 0 312.438 4.049 20 30 DIEDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396987 1048751717 /nfs/dbraw/zinc/75/17/17/1048751717.db2.gz ZQMPTPGALQTIQM-OAQYLSRUSA-N 1 0 319.452 4.100 20 30 DIEDRO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483171651 1048753098 /nfs/dbraw/zinc/75/30/98/1048753098.db2.gz DEQRUGWSBXTFQJ-LLVKDONJSA-N 1 0 322.239 4.397 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1Br)[C@@H](C)C(C)C ZINC001190604039 1048763436 /nfs/dbraw/zinc/76/34/36/1048763436.db2.gz AWUWGIDHTAOFPO-LBPRGKRZSA-N 1 0 309.251 4.187 20 30 DIEDRO Cc1nc(C2CCCCC2)cc(N(C)Cc2ccc(C#N)cc2)n1 ZINC001166540402 1048759697 /nfs/dbraw/zinc/75/96/97/1048759697.db2.gz VAQXWCONKYRYBX-UHFFFAOYSA-N 1 0 320.440 4.341 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001176690078 1048760635 /nfs/dbraw/zinc/76/06/35/1048760635.db2.gz SCNWNNDKSXENND-MRXNPFEDSA-N 1 0 312.498 4.194 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)c1cccc(C#N)c1 ZINC001190597741 1048763847 /nfs/dbraw/zinc/76/38/47/1048763847.db2.gz TVNIVSAHDUUFPS-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000483258185 1048764066 /nfs/dbraw/zinc/76/40/66/1048764066.db2.gz SQEWZFVERACVEN-WOJBJXKFSA-N 1 0 307.441 4.055 20 30 DIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001190597526 1048764284 /nfs/dbraw/zinc/76/42/84/1048764284.db2.gz NRXBLBAYNVUHNX-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775402014 1048767587 /nfs/dbraw/zinc/76/75/87/1048767587.db2.gz XHUKKPQRLVNKSU-IPHXSNPTSA-N 1 0 320.436 4.037 20 30 DIEDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000483293352 1048768877 /nfs/dbraw/zinc/76/88/77/1048768877.db2.gz VFBYUMNDPIVTBU-FQEVSTJZSA-N 1 0 307.441 4.357 20 30 DIEDRO CC(C)[N@H+](CCCOCc1ccccc1)Cc1ccc(C#N)cc1 ZINC001190634937 1048770036 /nfs/dbraw/zinc/77/00/36/1048770036.db2.gz BLFVIBVSPGZQQN-UHFFFAOYSA-N 1 0 322.452 4.376 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)c1ccccc1 ZINC000775403009 1048771609 /nfs/dbraw/zinc/77/16/09/1048771609.db2.gz DWLJZSMNXJURTD-AWEZNQCLSA-N 1 0 305.208 4.243 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(F)cc2cccnc21)c1ccccc1 ZINC000775405904 1048773119 /nfs/dbraw/zinc/77/31/19/1048773119.db2.gz YRXWHTYVMPZFNI-IBGZPJMESA-N 1 0 304.368 4.228 20 30 DIEDRO C=CC[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1F ZINC001190759838 1048780556 /nfs/dbraw/zinc/78/05/56/1048780556.db2.gz FQCGVLGZGXEMJZ-NSHDSACASA-N 1 0 300.215 4.375 20 30 DIEDRO CCC(CC)[N@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC001190720415 1048780661 /nfs/dbraw/zinc/78/06/61/1048780661.db2.gz ABGGLDLHDVMMMB-UHFFFAOYSA-N 1 0 321.262 4.474 20 30 DIEDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000775408919 1048781632 /nfs/dbraw/zinc/78/16/32/1048781632.db2.gz XQTKQKOBAWKLPC-QRWLVFNGSA-N 1 0 306.409 4.002 20 30 DIEDRO COc1ccc([C@H]2CC[N@H+](Cc3c(C)cc(C#N)cc3C)C2)cc1 ZINC001190746618 1048781979 /nfs/dbraw/zinc/78/19/79/1048781979.db2.gz YMBZJIRGHKVFQI-IBGZPJMESA-N 1 0 320.436 4.173 20 30 DIEDRO COCC[N@H+](CC[C@@H]1CCC[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC001190801915 1048788220 /nfs/dbraw/zinc/78/82/20/1048788220.db2.gz NXYDFEYHMKQGNV-ROUUACIJSA-N 1 0 314.473 4.223 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001176813656 1048792521 /nfs/dbraw/zinc/79/25/21/1048792521.db2.gz GVEUHELHTSIVLE-APWZRJJASA-N 1 0 324.509 4.336 20 30 DIEDRO C=CCCC[N@@H+](CC)CCOc1ccccc1C(F)(F)F ZINC001176798584 1048793242 /nfs/dbraw/zinc/79/32/42/1048793242.db2.gz UEAGURUSECEUQH-UHFFFAOYSA-N 1 0 301.352 4.372 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCO[C@H](c3ccccc3)CC2)CCC1 ZINC001176939338 1048804231 /nfs/dbraw/zinc/80/42/31/1048804231.db2.gz HEBYXIWZWFDMEJ-IBGZPJMESA-N 1 0 312.457 4.314 20 30 DIEDRO N#CCc1cccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1F ZINC001166901132 1048811296 /nfs/dbraw/zinc/81/12/96/1048811296.db2.gz MMOHAJSXROPZII-IBGZPJMESA-N 1 0 323.415 4.141 20 30 DIEDRO SCc1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC001166911070 1048812480 /nfs/dbraw/zinc/81/24/80/1048812480.db2.gz SMARCOHWFIMUNQ-LJQANCHMSA-N 1 0 312.482 4.365 20 30 DIEDRO SCc1ccccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166909498 1048813168 /nfs/dbraw/zinc/81/31/68/1048813168.db2.gz BUUQRBHHFCSEDY-LJQANCHMSA-N 1 0 312.482 4.365 20 30 DIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)cc1 ZINC000483538194 1048817733 /nfs/dbraw/zinc/81/77/33/1048817733.db2.gz AHFZMYMCLSWNAL-FQEVSTJZSA-N 1 0 324.399 4.433 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1ccc(C#N)cc1 ZINC000924787691 1048819098 /nfs/dbraw/zinc/81/90/98/1048819098.db2.gz XTRXYAKIHREXDR-YVEFUNNKSA-N 1 0 311.816 4.335 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000483562691 1048819263 /nfs/dbraw/zinc/81/92/63/1048819263.db2.gz SKYKXUPQZZQAON-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000852099476 1048822499 /nfs/dbraw/zinc/82/24/99/1048822499.db2.gz AFESPBZMRQKMGQ-OAQYLSRUSA-N 1 0 320.436 4.074 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483603796 1048823104 /nfs/dbraw/zinc/82/31/04/1048823104.db2.gz FIMMREAFFFYYAB-UHFFFAOYSA-N 1 0 321.399 4.227 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)C1 ZINC001177117129 1048827349 /nfs/dbraw/zinc/82/73/49/1048827349.db2.gz JDNFBZLOBSOLHU-KZNAEPCWSA-N 1 0 302.462 4.141 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2nc3c(cc2C#N)CCCC3(C)C)c1 ZINC001167034942 1048835483 /nfs/dbraw/zinc/83/54/83/1048835483.db2.gz UYXBYRPDCWUQTK-UHFFFAOYSA-N 1 0 320.440 4.030 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001177136388 1048838087 /nfs/dbraw/zinc/83/80/87/1048838087.db2.gz MWNXCGSPNDAKHP-HIFRSBDPSA-N 1 0 321.848 4.336 20 30 DIEDRO CCCCCCCCNC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC001191069785 1048838275 /nfs/dbraw/zinc/83/82/75/1048838275.db2.gz RAOZXXOKWWFSLX-UHFFFAOYSA-N 1 0 305.466 4.230 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)cc1F ZINC000483702118 1048841978 /nfs/dbraw/zinc/84/19/78/1048841978.db2.gz UFJSOSMENYEQFI-HKUYNNGSSA-N 1 0 312.363 4.262 20 30 DIEDRO Cc1ccc(C[N@@H+](CCC#N)CCC(C)C)c(-c2ccnn2C)c1 ZINC000338945846 1048845306 /nfs/dbraw/zinc/84/53/06/1048845306.db2.gz WMZQHPAOIHZTIL-UHFFFAOYSA-N 1 0 324.472 4.157 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)C1 ZINC001177240771 1048852502 /nfs/dbraw/zinc/85/25/02/1048852502.db2.gz USBNMMDLBUWZGW-RDJZCZTQSA-N 1 0 324.424 4.366 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)C1 ZINC001177249930 1048853949 /nfs/dbraw/zinc/85/39/49/1048853949.db2.gz GYIJYJFVBPROHH-NVXWUHKLSA-N 1 0 300.446 4.237 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H](O)c1ccc(Cl)cc1 ZINC000852730391 1048857015 /nfs/dbraw/zinc/85/70/15/1048857015.db2.gz FCPFZVZXZOWLFQ-IAGOWNOFSA-N 1 0 322.880 4.318 20 30 DIEDRO CC1(C)C[C@@]1([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000852772924 1048857819 /nfs/dbraw/zinc/85/78/19/1048857819.db2.gz SJHJVTIHSIHFHI-HXUWFJFHSA-N 1 0 306.409 4.004 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000338952282 1048858096 /nfs/dbraw/zinc/85/80/96/1048858096.db2.gz FMZYWUWDAVVCTN-MRXNPFEDSA-N 1 0 324.424 4.229 20 30 DIEDRO C[NH+]1CCC(c2ccc(NC=Cc3ccc(C#N)cc3)cc2)CC1 ZINC001203302725 1048864000 /nfs/dbraw/zinc/86/40/00/1048864000.db2.gz ZXAAFRJLAQMXHK-JLHYYAGUSA-N 1 0 317.436 4.450 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000852873933 1048864317 /nfs/dbraw/zinc/86/43/17/1048864317.db2.gz HQSRWVGNZKSYPA-HRBLRVMOSA-N 1 0 308.510 4.115 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000483824890 1048864235 /nfs/dbraw/zinc/86/42/35/1048864235.db2.gz SQIXATHKLUYMQO-SFHVURJKSA-N 1 0 312.501 4.127 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000338954226 1048865406 /nfs/dbraw/zinc/86/54/06/1048865406.db2.gz NDIRYQGYDYGFKV-INIZCTEOSA-N 1 0 324.424 4.229 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)C1 ZINC001177312299 1048866780 /nfs/dbraw/zinc/86/67/80/1048866780.db2.gz LMWKACZGJFWTSI-IEBWSBKVSA-N 1 0 313.489 4.296 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000067643251 1048880897 /nfs/dbraw/zinc/88/08/97/1048880897.db2.gz ZKJGAZMONPZIJF-LJQANCHMSA-N 1 0 308.425 4.374 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000067643253 1048881120 /nfs/dbraw/zinc/88/11/20/1048881120.db2.gz ZKJGAZMONPZIJF-IBGZPJMESA-N 1 0 308.425 4.374 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)s1 ZINC000483960723 1048887388 /nfs/dbraw/zinc/88/73/88/1048887388.db2.gz TTYXSALOFDKIEG-INIZCTEOSA-N 1 0 300.402 4.404 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCCO2 ZINC000853241324 1048891134 /nfs/dbraw/zinc/89/11/34/1048891134.db2.gz LDKGDHXJBGBUSV-JLTOFOAXSA-N 1 0 318.420 4.221 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(Br)s1 ZINC000484028750 1048894088 /nfs/dbraw/zinc/89/40/88/1048894088.db2.gz XNLBXAZCZWFZPE-LBPRGKRZSA-N 1 0 320.255 4.213 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC001177442973 1048894631 /nfs/dbraw/zinc/89/46/31/1048894631.db2.gz XZVKVROCXJIALQ-UKRRQHHQSA-N 1 0 324.262 4.162 20 30 DIEDRO FC(F)(F)[C@@H]1CCC[C@@H](C=[NH+]n2cnnc2-c2ccccc2)C1 ZINC000853284159 1048895716 /nfs/dbraw/zinc/89/57/16/1048895716.db2.gz RRTZDIFASMUCKX-TZMCWYRMSA-N 1 0 322.334 4.148 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC001191233273 1048906237 /nfs/dbraw/zinc/90/62/37/1048906237.db2.gz MKFKQWSAEVPYQJ-VQTJNVASSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@@H]([NH2+]Cc1cnc2c(F)cccc2c1)c1ccc(C#N)cc1 ZINC001177525627 1048906768 /nfs/dbraw/zinc/90/67/68/1048906768.db2.gz ZIBHFIIVWYTATA-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO COc1cccc2c1CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C2 ZINC001177524764 1048906809 /nfs/dbraw/zinc/90/68/09/1048906809.db2.gz IBNRRTLPECUJRZ-DNVCBOLYSA-N 1 0 320.436 4.165 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(Br)c(Cl)c2)CCCC1 ZINC001203472542 1048909720 /nfs/dbraw/zinc/90/97/20/1048909720.db2.gz WCCBVONWXKZQFB-UHFFFAOYSA-N 1 0 312.638 4.138 20 30 DIEDRO Cc1ccc(OC[C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001177537097 1048910475 /nfs/dbraw/zinc/91/04/75/1048910475.db2.gz KVVJVMAUSNBPQJ-KRWDZBQOSA-N 1 0 320.436 4.107 20 30 DIEDRO COc1ccc2c(Nc3ccc(C(C)(C)C#N)nc3)cc[nH+]c2c1 ZINC001203522884 1048919136 /nfs/dbraw/zinc/91/91/36/1048919136.db2.gz MSGHJZKFSKBRLJ-UHFFFAOYSA-N 1 0 318.380 4.183 20 30 DIEDRO COCC#CC[N@H+](C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC001191341297 1048920300 /nfs/dbraw/zinc/92/03/00/1048920300.db2.gz MCFDSHQVAKESDP-WOJBJXKFSA-N 1 0 303.490 4.240 20 30 DIEDRO COc1ccc2c(Nc3ccc(C(C)=O)cc3C#N)cc[nH+]c2c1 ZINC001203527925 1048920857 /nfs/dbraw/zinc/92/08/57/1048920857.db2.gz HBFTUKCOWQMKJF-UHFFFAOYSA-N 1 0 317.348 4.061 20 30 DIEDRO COc1ccc2c(Nc3cc(F)c(C#N)cc3F)cc[nH+]c2c1 ZINC001203526210 1048921972 /nfs/dbraw/zinc/92/19/72/1048921972.db2.gz PZPYSJGJKJBRAN-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C/C=C\c2c(C)cc(C)cc2C)CC1 ZINC001177683366 1048927494 /nfs/dbraw/zinc/92/74/94/1048927494.db2.gz CCAJPVVTXVENBX-SREVYHEPSA-N 1 0 312.501 4.255 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC001203573193 1048932824 /nfs/dbraw/zinc/93/28/24/1048932824.db2.gz WTTNJNIFCVVKSL-UHFFFAOYSA-N 1 0 300.490 4.233 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(C)c(C2OCCO2)cc1C ZINC001203570822 1048933771 /nfs/dbraw/zinc/93/37/71/1048933771.db2.gz BOLXBSKGYIUVCX-UHFFFAOYSA-N 1 0 317.473 4.431 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000161498540 1048938330 /nfs/dbraw/zinc/93/83/30/1048938330.db2.gz BQLHYCBAOMTODV-LJQANCHMSA-N 1 0 309.409 4.037 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC001203604000 1048938921 /nfs/dbraw/zinc/93/89/21/1048938921.db2.gz ZKDBOMPUEDPSNH-UHFFFAOYSA-N 1 0 322.452 4.497 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2sc(N3CCCCC3)nc2C)CC1 ZINC001203602615 1048939725 /nfs/dbraw/zinc/93/97/25/1048939725.db2.gz GDNLQSNTQONLJR-UHFFFAOYSA-N 1 0 319.518 4.278 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+]Cc2ccc(OCC#N)cc2)c(C)c1 ZINC001177764146 1048941655 /nfs/dbraw/zinc/94/16/55/1048941655.db2.gz CENYKNXOEUZWDL-PLNGDYQASA-N 1 0 320.436 4.317 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1C#N ZINC001203639791 1048945599 /nfs/dbraw/zinc/94/55/99/1048945599.db2.gz RPIZMVKFIVKDDE-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO CC1(C)C[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001177799966 1048945840 /nfs/dbraw/zinc/94/58/40/1048945840.db2.gz PATGLJWKEXOLMV-IBGZPJMESA-N 1 0 320.436 4.273 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1C)c1ccccc1 ZINC000775462753 1048957734 /nfs/dbraw/zinc/95/77/34/1048957734.db2.gz DKYYPVWOWQGZGV-WOJBJXKFSA-N 1 0 313.416 4.465 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000775463173 1048958102 /nfs/dbraw/zinc/95/81/02/1048958102.db2.gz JBMDODZGASFCMS-VQTJNVASSA-N 1 0 322.452 4.277 20 30 DIEDRO Cc1cccc(OCCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776743545 1048971750 /nfs/dbraw/zinc/97/17/50/1048971750.db2.gz YVCVGHDPWSRNOM-HNNXBMFYSA-N 1 0 312.388 4.126 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000854500723 1048976588 /nfs/dbraw/zinc/97/65/88/1048976588.db2.gz RLBPVFDTGNHJJK-SFHVURJKSA-N 1 0 322.537 4.317 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1ccccc1Cl)CC1CCCCC1 ZINC000484629795 1048998430 /nfs/dbraw/zinc/99/84/30/1048998430.db2.gz MCMQOEPIKDAVTO-UHFFFAOYSA-N 1 0 320.864 4.347 20 30 DIEDRO COc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)cc1F ZINC001203795051 1049000595 /nfs/dbraw/zinc/00/05/95/1049000595.db2.gz JWEYVTCOXOUBMR-UHFFFAOYSA-N 1 0 323.411 4.098 20 30 DIEDRO CC(=O)c1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)c(C#N)c1 ZINC001203816580 1049007510 /nfs/dbraw/zinc/00/75/10/1049007510.db2.gz FHEULNNRNIGDEE-UHFFFAOYSA-N 1 0 319.408 4.100 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000776793248 1049011944 /nfs/dbraw/zinc/01/19/44/1049011944.db2.gz ZAHKQWFHJKMCKF-WWMYMODYSA-N 1 0 320.436 4.217 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203829718 1049012736 /nfs/dbraw/zinc/01/27/36/1049012736.db2.gz KMXILTVVPAQSCG-UHFFFAOYSA-N 1 0 321.461 4.413 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)cc1 ZINC000776806839 1049025702 /nfs/dbraw/zinc/02/57/02/1049025702.db2.gz DNTQSXSNLSEBNK-AWEZNQCLSA-N 1 0 322.433 4.159 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc1 ZINC001203900218 1049027015 /nfs/dbraw/zinc/02/70/15/1049027015.db2.gz UWFCBMWJMIUQOT-UHFFFAOYSA-N 1 0 300.405 4.119 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)cc1C#N ZINC000776807791 1049032770 /nfs/dbraw/zinc/03/27/70/1049032770.db2.gz JEYVHDNDTTVPLA-LBPRGKRZSA-N 1 0 323.421 4.027 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(C)=O)cc1 ZINC001203927987 1049035122 /nfs/dbraw/zinc/03/51/22/1049035122.db2.gz PLGVIHGORNARMM-UHFFFAOYSA-N 1 0 308.425 4.223 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCCCCC2)ccc1OC ZINC000113347930 1049036322 /nfs/dbraw/zinc/03/63/22/1049036322.db2.gz PUOPPEDXELWKSN-KRWDZBQOSA-N 1 0 316.445 4.189 20 30 DIEDRO C=C(Cl)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC001192106939 1049040556 /nfs/dbraw/zinc/04/05/56/1049040556.db2.gz CHRAWRXMPYXWQN-UHFFFAOYSA-N 1 0 300.627 4.170 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(Cl)ccc1O ZINC000775501693 1049040277 /nfs/dbraw/zinc/04/02/77/1049040277.db2.gz KFWUJXRZACPUAV-INIZCTEOSA-N 1 0 318.779 4.297 20 30 DIEDRO CCOc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001203961170 1049046273 /nfs/dbraw/zinc/04/62/73/1049046273.db2.gz ARIIIBKAAYAMQJ-UHFFFAOYSA-N 1 0 320.436 4.143 20 30 DIEDRO CCCCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC001203971581 1049048906 /nfs/dbraw/zinc/04/89/06/1049048906.db2.gz DAMYPCTZNFHHQM-UHFFFAOYSA-N 1 0 308.425 4.369 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001151993858 1049049269 /nfs/dbraw/zinc/04/92/69/1049049269.db2.gz YWHHOKMATVUHJQ-IPMKNSEASA-N 1 0 322.537 4.316 20 30 DIEDRO C=CC(C)(C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001203986854 1049050641 /nfs/dbraw/zinc/05/06/41/1049050641.db2.gz NATOHJIFGIMMGO-UHFFFAOYSA-N 1 0 306.409 4.191 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001178583950 1049057258 /nfs/dbraw/zinc/05/72/58/1049057258.db2.gz BRGFEHINCPYUGI-HOCLYGCPSA-N 1 0 313.363 4.085 20 30 DIEDRO N#CC1(C[NH2+]C2CCC(C3CCCCC3)CC2)CCOCC1 ZINC001204029042 1049064659 /nfs/dbraw/zinc/06/46/59/1049064659.db2.gz TZNNBJCZSNTTRD-UHFFFAOYSA-N 1 0 304.478 4.035 20 30 DIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC001192234678 1049067034 /nfs/dbraw/zinc/06/70/34/1049067034.db2.gz TXAVNMISJNJJEL-PMACEKPBSA-N 1 0 312.457 4.026 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC001178623919 1049067018 /nfs/dbraw/zinc/06/70/18/1049067018.db2.gz CFQDUVWKEYQNDQ-FXAWDEMLSA-N 1 0 323.411 4.264 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000775518977 1049073350 /nfs/dbraw/zinc/07/33/50/1049073350.db2.gz KKTJVTVYYWTXSA-CHWSQXEVSA-N 1 0 314.351 4.361 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1 ZINC001178700656 1049075907 /nfs/dbraw/zinc/07/59/07/1049075907.db2.gz WXCGSSLCRMBUPZ-ARJAWSKDSA-N 1 0 315.363 4.333 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000113952430 1049077260 /nfs/dbraw/zinc/07/72/60/1049077260.db2.gz NWZGQGUMFOHPAL-KBXCAEBGSA-N 1 0 312.388 4.357 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(OCOCC)cc2)CCCC1 ZINC001178710068 1049078976 /nfs/dbraw/zinc/07/89/76/1049078976.db2.gz QMIGYWJSODUSFP-UHFFFAOYSA-N 1 0 303.446 4.286 20 30 DIEDRO C=CCCCCC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC001192315832 1049079520 /nfs/dbraw/zinc/07/95/20/1049079520.db2.gz VMNSGVNJDIZVHH-UHFFFAOYSA-N 1 0 310.844 4.348 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCCC1 ZINC001178709235 1049079815 /nfs/dbraw/zinc/07/98/15/1049079815.db2.gz DNCXIUVSCMFOFM-UHFFFAOYSA-N 1 0 321.848 4.337 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OC)c(OCCC(C)C)c1 ZINC001178737738 1049081296 /nfs/dbraw/zinc/08/12/96/1049081296.db2.gz XVDZHHSDRLQOAR-UHFFFAOYSA-N 1 0 305.462 4.422 20 30 DIEDRO Cc1oc(Nc2cccc(C[NH+]3CCCCC3)c2)c(C#N)c1C ZINC001204094656 1049084406 /nfs/dbraw/zinc/08/44/06/1049084406.db2.gz KTRKQMSLGVOJQL-UHFFFAOYSA-N 1 0 309.413 4.498 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCCCCCC)cc1 ZINC001178762517 1049085952 /nfs/dbraw/zinc/08/59/52/1049085952.db2.gz NRCPZQJWXKUTJD-UXHICEINSA-N 1 0 317.473 4.469 20 30 DIEDRO COc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)c(C#N)c1 ZINC001204109358 1049086155 /nfs/dbraw/zinc/08/61/55/1049086155.db2.gz ILMFLMZFQPORAJ-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO N#Cc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)c(C#N)c1 ZINC001204126681 1049088330 /nfs/dbraw/zinc/08/83/30/1049088330.db2.gz AVYXKDDRLLXJMO-UHFFFAOYSA-N 1 0 316.408 4.159 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC001178796330 1049091647 /nfs/dbraw/zinc/09/16/47/1049091647.db2.gz WPFRGAHBHZDRAG-UHFFFAOYSA-N 1 0 319.342 4.459 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000776895291 1049099776 /nfs/dbraw/zinc/09/97/76/1049099776.db2.gz PPYJBOCOBUXCCZ-KRWDZBQOSA-N 1 0 305.421 4.429 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000776895292 1049100538 /nfs/dbraw/zinc/10/05/38/1049100538.db2.gz PPYJBOCOBUXCCZ-QGZVFWFLSA-N 1 0 305.421 4.429 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC001203294061 1049102113 /nfs/dbraw/zinc/10/21/13/1049102113.db2.gz FKUBIDJNUAISIE-CQSZACIVSA-N 1 0 317.429 4.072 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1N ZINC001178939854 1049111167 /nfs/dbraw/zinc/11/11/67/1049111167.db2.gz VTYJIZACFIOIOY-INIZCTEOSA-N 1 0 300.833 4.199 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001178939740 1049111354 /nfs/dbraw/zinc/11/13/54/1049111354.db2.gz QYRSKSZHZKBIJB-LJQANCHMSA-N 1 0 317.436 4.354 20 30 DIEDRO C=C(CC)C[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001178948746 1049112666 /nfs/dbraw/zinc/11/26/66/1049112666.db2.gz ADNYIMNTBGHQNO-UHFFFAOYSA-N 1 0 302.643 4.467 20 30 DIEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CC=CCC1 ZINC001192482609 1049113978 /nfs/dbraw/zinc/11/39/78/1049113978.db2.gz YVUKKJZXBMBQMS-INIZCTEOSA-N 1 0 323.358 4.225 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2cnccc21 ZINC001178972567 1049116217 /nfs/dbraw/zinc/11/62/17/1049116217.db2.gz VUXOSHCDMUOJLE-NRFANRHFSA-N 1 0 313.404 4.274 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C2CC2)cc1F ZINC001192615057 1049123427 /nfs/dbraw/zinc/12/34/27/1049123427.db2.gz FMYSTMQMYRDXRF-SFHVURJKSA-N 1 0 316.326 4.216 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001179099562 1049127093 /nfs/dbraw/zinc/12/70/93/1049127093.db2.gz AFOYAINQUAUKEK-UHFFFAOYSA-N 1 0 319.392 4.113 20 30 DIEDRO C=CCOCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001192680932 1049129055 /nfs/dbraw/zinc/12/90/55/1049129055.db2.gz BTWWHTOYHBOSNA-LJQANCHMSA-N 1 0 315.844 4.416 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001179077121 1049129085 /nfs/dbraw/zinc/12/90/85/1049129085.db2.gz FPZRRYDMUWAOOK-AQNXPRMDSA-N 1 0 317.473 4.445 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC001179142895 1049131497 /nfs/dbraw/zinc/13/14/97/1049131497.db2.gz OSBOZJMQKFNQET-AEFFLSMTSA-N 1 0 301.430 4.006 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@@]2(C)CC2(F)F)cc1Cl ZINC001179183785 1049134859 /nfs/dbraw/zinc/13/48/59/1049134859.db2.gz OYBCTANLQZZYJC-HNNXBMFYSA-N 1 0 315.791 4.430 20 30 DIEDRO CCc1ccc(C(C)(C)[NH2+]CCOc2ccccc2C#N)cc1 ZINC001192718879 1049135663 /nfs/dbraw/zinc/13/56/63/1049135663.db2.gz IAXRUFDJENAJIW-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001192756974 1049138295 /nfs/dbraw/zinc/13/82/95/1049138295.db2.gz KEQZRPKGGSNLII-HZPDHXFCSA-N 1 0 315.457 4.469 20 30 DIEDRO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)cc(C)c1OC(F)F ZINC001179173521 1049140074 /nfs/dbraw/zinc/14/00/74/1049140074.db2.gz RFYXFDJTFIKIKG-UHFFFAOYSA-N 1 0 322.399 4.469 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC001192867674 1049141232 /nfs/dbraw/zinc/14/12/32/1049141232.db2.gz CGLUHFUAUGKZBN-FQEVSTJZSA-N 1 0 315.457 4.328 20 30 DIEDRO C#CC[C@@H]([NH2+]CCc1nsc2ccccc12)c1ccccc1 ZINC001192790654 1049141517 /nfs/dbraw/zinc/14/15/17/1049141517.db2.gz APJMFGPEZQYBQG-QGZVFWFLSA-N 1 0 306.434 4.193 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1nc(Cl)ccc1Br ZINC001179232534 1049146328 /nfs/dbraw/zinc/14/63/28/1049146328.db2.gz FEFKHLIMIGUCEC-UHFFFAOYSA-N 1 0 317.658 4.332 20 30 DIEDRO N#Cc1ccnc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC001192900420 1049147219 /nfs/dbraw/zinc/14/72/19/1049147219.db2.gz BSDUPJQWPYDVSZ-IBGZPJMESA-N 1 0 309.388 4.113 20 30 DIEDRO N#CCC[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000775553217 1049147493 /nfs/dbraw/zinc/14/74/93/1049147493.db2.gz MOUQDCBJKWQJMA-ZWKOTPCHSA-N 1 0 314.816 4.008 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC(Sc2ccccc2)CC1 ZINC001204373449 1049153190 /nfs/dbraw/zinc/15/31/90/1049153190.db2.gz SOHCYMGLVSJBEG-UHFFFAOYSA-N 1 0 308.450 4.315 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1 ZINC001204369699 1049153207 /nfs/dbraw/zinc/15/32/07/1049153207.db2.gz ZVBZFFACBIOAMV-PXNSSMCTSA-N 1 0 319.489 4.239 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001204367987 1049153775 /nfs/dbraw/zinc/15/37/75/1049153775.db2.gz HHZQWYWBWIZCAQ-UHFFFAOYSA-N 1 0 302.421 4.038 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC001204367986 1049154025 /nfs/dbraw/zinc/15/40/25/1049154025.db2.gz HGGXTVACZMAWRB-UHFFFAOYSA-N 1 0 316.448 4.428 20 30 DIEDRO CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1cc(C#N)cs1 ZINC001179314439 1049154496 /nfs/dbraw/zinc/15/44/96/1049154496.db2.gz BSYFTKOPIMMXQN-MRXNPFEDSA-N 1 0 323.465 4.222 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@]23C[C@H]2CCCC3)ccc1OC ZINC001179348100 1049154918 /nfs/dbraw/zinc/15/49/18/1049154918.db2.gz OFVSZELJWKECBA-VQIMIIECSA-N 1 0 301.430 4.072 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC([N@H+](C)C2CC2)CC1 ZINC001192938475 1049157452 /nfs/dbraw/zinc/15/74/52/1049157452.db2.gz RAXHLMASIJSCJA-INIZCTEOSA-N 1 0 323.525 4.004 20 30 DIEDRO C=CC[N@H+](Cc1cn(-c2ccccc2Cl)nc1C)C(C)C ZINC001204441378 1049163923 /nfs/dbraw/zinc/16/39/23/1049163923.db2.gz LCHAGYBQBUDIPJ-UHFFFAOYSA-N 1 0 303.837 4.231 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)C2 ZINC001179419851 1049167771 /nfs/dbraw/zinc/16/77/71/1049167771.db2.gz USKLGLURCYDHIU-INIZCTEOSA-N 1 0 317.219 4.122 20 30 DIEDRO C=CCCn1cc(C[N@H+](Cc2ccccc2)C2CCCCC2)nn1 ZINC001204472336 1049170487 /nfs/dbraw/zinc/17/04/87/1049170487.db2.gz URUJIMGZOWVYEM-UHFFFAOYSA-N 1 0 324.472 4.189 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+](C)C)s2)cc1C1(C#N)CC1 ZINC000904864850 1049170696 /nfs/dbraw/zinc/17/06/96/1049170696.db2.gz OFDWXROLGDFDER-UHFFFAOYSA-N 1 0 312.438 4.040 20 30 DIEDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000775565111 1049177963 /nfs/dbraw/zinc/17/79/63/1049177963.db2.gz DJQPUZDNFCEPRN-UHFFFAOYSA-N 1 0 321.468 4.186 20 30 DIEDRO Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001204509475 1049178267 /nfs/dbraw/zinc/17/82/67/1049178267.db2.gz DEPFMLMMXYKHFZ-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC001179541497 1049178969 /nfs/dbraw/zinc/17/89/69/1049178969.db2.gz MJHJYNKLMYVABS-UHFFFAOYSA-N 1 0 309.457 4.325 20 30 DIEDRO C#CCOCC[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001193176821 1049181317 /nfs/dbraw/zinc/18/13/17/1049181317.db2.gz IZIBFLSNUXCTOP-ZDUSSCGKSA-N 1 0 319.857 4.369 20 30 DIEDRO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC001204552107 1049188093 /nfs/dbraw/zinc/18/80/93/1049188093.db2.gz NHJJDYUVNKWGAC-HNNXBMFYSA-N 1 0 310.466 4.366 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCC2(c3ccccc3)CC2)cc1 ZINC001179621216 1049188879 /nfs/dbraw/zinc/18/88/79/1049188879.db2.gz MTGXWVVNDMJCCV-UHFFFAOYSA-N 1 0 319.448 4.300 20 30 DIEDRO CC(C)c1ncc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)s1 ZINC000905077901 1049190113 /nfs/dbraw/zinc/19/01/13/1049190113.db2.gz ISBQSPGXXAPEES-CMDGGOBGSA-N 1 0 314.454 4.224 20 30 DIEDRO CCOc1ccc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC001179637101 1049190603 /nfs/dbraw/zinc/19/06/03/1049190603.db2.gz SQVOOVFOUAQZGL-UHFFFAOYSA-N 1 0 308.425 4.068 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2(c3ccc(OC)cc3)CC2)cc1 ZINC000776960905 1049195783 /nfs/dbraw/zinc/19/57/83/1049195783.db2.gz VEDDMZGQPBGZTE-MRXNPFEDSA-N 1 0 321.420 4.047 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC001204601699 1049196979 /nfs/dbraw/zinc/19/69/79/1049196979.db2.gz JZHXLDQETTWWQQ-KRWDZBQOSA-N 1 0 303.833 4.117 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)n1 ZINC001179681645 1049197253 /nfs/dbraw/zinc/19/72/53/1049197253.db2.gz QYUJGHIWPVWCCT-CVEARBPZSA-N 1 0 311.454 4.221 20 30 DIEDRO CC(C)(C)C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001193438528 1049208033 /nfs/dbraw/zinc/20/80/33/1049208033.db2.gz XWTZPZDBRFMCCL-UHFFFAOYSA-N 1 0 322.399 4.418 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4ccc(Cl)nc43)CCC2)cc1 ZINC000857915207 1049210791 /nfs/dbraw/zinc/21/07/91/1049210791.db2.gz UNQHHDXVFORNOT-INIZCTEOSA-N 1 0 323.827 4.263 20 30 DIEDRO Fc1ccc(C#CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001193495759 1049215132 /nfs/dbraw/zinc/21/51/32/1049215132.db2.gz CKUVBJPKJNBSSE-TZIWHRDSSA-N 1 0 307.412 4.178 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1 ZINC001204666092 1049216132 /nfs/dbraw/zinc/21/61/32/1049216132.db2.gz PQMPOTQHZXETOY-UHFFFAOYSA-N 1 0 309.409 4.052 20 30 DIEDRO C=CC[N@H+](Cc1cc(Br)ccc1F)CC1(C)CC1 ZINC001179858401 1049220478 /nfs/dbraw/zinc/22/04/78/1049220478.db2.gz FBDIUVVNYXMCFA-UHFFFAOYSA-N 1 0 312.226 4.376 20 30 DIEDRO C=C(C)[C@H](NC[C@H]1CCCC[N@H+]1C(C)C)c1ccc(F)c(F)c1 ZINC001193573933 1049225640 /nfs/dbraw/zinc/22/56/40/1049225640.db2.gz CSETZRBSKKEWBE-APWZRJJASA-N 1 0 322.443 4.435 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2c(C#N)cccc2C#N)cc1 ZINC001204690946 1049227328 /nfs/dbraw/zinc/22/73/28/1049227328.db2.gz OFNBQOKGMLRDMT-UHFFFAOYSA-N 1 0 304.397 4.062 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CCCC[C@@H](SC)C1 ZINC001179925823 1049227645 /nfs/dbraw/zinc/22/76/45/1049227645.db2.gz TVOMYJBTBVPJPJ-CQSZACIVSA-N 1 0 323.889 4.070 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000858239244 1049229223 /nfs/dbraw/zinc/22/92/23/1049229223.db2.gz QYPDUOCBQNNFBL-QRWLVFNGSA-N 1 0 321.424 4.003 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001179931561 1049230461 /nfs/dbraw/zinc/23/04/61/1049230461.db2.gz NYZFIFMADUREOL-HXUWFJFHSA-N 1 0 319.452 4.134 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)ccc1C#N ZINC001179937718 1049234526 /nfs/dbraw/zinc/23/45/26/1049234526.db2.gz PDEZJLALMDFDRX-AUUYWEPGSA-N 1 0 324.399 4.289 20 30 DIEDRO CC(=O)c1ccc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)c(C#N)c1 ZINC001204706590 1049234720 /nfs/dbraw/zinc/23/47/20/1049234720.db2.gz YAIYKXRBUGMBTK-UHFFFAOYSA-N 1 0 321.424 4.393 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001179951498 1049236344 /nfs/dbraw/zinc/23/63/44/1049236344.db2.gz KENKUIJNSOQPIB-HOJAQTOUSA-N 1 0 314.473 4.295 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC001193649511 1049240856 /nfs/dbraw/zinc/24/08/56/1049240856.db2.gz RSFPDXSIYFKOHK-HSMVNMDESA-N 1 0 321.262 4.235 20 30 DIEDRO CC(C)(C)C[N@@H+](CCC#N)CCCCCOc1ccccc1 ZINC001180030489 1049260653 /nfs/dbraw/zinc/26/06/53/1049260653.db2.gz NGDKBONZORQKBQ-UHFFFAOYSA-N 1 0 302.462 4.497 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOc2ccccc21 ZINC001204803599 1049269331 /nfs/dbraw/zinc/26/93/31/1049269331.db2.gz OHSBSLXIGAQJLD-LJQANCHMSA-N 1 0 320.436 4.337 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858546601 1049271911 /nfs/dbraw/zinc/27/19/11/1049271911.db2.gz WGRVREGSHWVRMQ-OWQGQXMQSA-N 1 0 321.848 4.036 20 30 DIEDRO C=CCCCCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001193898157 1049278347 /nfs/dbraw/zinc/27/83/47/1049278347.db2.gz JXZGXOQAECMJMO-UHFFFAOYSA-N 1 0 317.864 4.080 20 30 DIEDRO CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC001180132832 1049279844 /nfs/dbraw/zinc/27/98/44/1049279844.db2.gz NJGIMRVOQSHJGM-IMFGXOCKSA-N 1 0 312.457 4.148 20 30 DIEDRO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC001180132835 1049280462 /nfs/dbraw/zinc/28/04/62/1049280462.db2.gz NJGIMRVOQSHJGM-YVWKXTFCSA-N 1 0 312.457 4.148 20 30 DIEDRO N#CC1(CC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CCCCC1 ZINC001193913985 1049281577 /nfs/dbraw/zinc/28/15/77/1049281577.db2.gz PNDVKPHXHVBJON-QGZVFWFLSA-N 1 0 300.421 4.479 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+](CC)C2CCC2)cc1OC ZINC001180141016 1049281770 /nfs/dbraw/zinc/28/17/70/1049281770.db2.gz CPJCXUNDMMHFQN-UHFFFAOYSA-N 1 0 309.837 4.288 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204880172 1049295003 /nfs/dbraw/zinc/29/50/03/1049295003.db2.gz ZTFFGZPQFFZVPU-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO CCCCCCCOC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC001194004356 1049297608 /nfs/dbraw/zinc/29/76/08/1049297608.db2.gz NQCNQSPWYQTNME-UHFFFAOYSA-N 1 0 322.449 4.146 20 30 DIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001180148252 1049299643 /nfs/dbraw/zinc/29/96/43/1049299643.db2.gz OLEDILUKVOFFSO-LJQANCHMSA-N 1 0 313.489 4.415 20 30 DIEDRO C#CCCOC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000858889864 1049300462 /nfs/dbraw/zinc/30/04/62/1049300462.db2.gz JXDSOPLTNAMRGM-UHFFFAOYSA-N 1 0 314.429 4.023 20 30 DIEDRO CC(C)C[N@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(C#N)cc1 ZINC001180154607 1049303448 /nfs/dbraw/zinc/30/34/48/1049303448.db2.gz VATAYUSHGVSGAP-UHFFFAOYSA-N 1 0 322.456 4.138 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(Br)o1 ZINC001204898895 1049304341 /nfs/dbraw/zinc/30/43/41/1049304341.db2.gz MPKCVNQIFOZWMP-UHFFFAOYSA-N 1 0 320.230 4.273 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccnn1-c1ccccc1 ZINC001204898001 1049304752 /nfs/dbraw/zinc/30/47/52/1049304752.db2.gz BGDNCDNGQRUUPD-UHFFFAOYSA-N 1 0 317.436 4.103 20 30 DIEDRO C=C(C)CN(CC(=O)Nc1ccc(C)c(C)c1)Cc1ccccc1 ZINC001194051904 1049308554 /nfs/dbraw/zinc/30/85/54/1049308554.db2.gz LLYBBRBTCXRAOK-UHFFFAOYSA-N 1 0 322.452 4.320 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](Cc1ccccc1)OC ZINC001194052433 1049308599 /nfs/dbraw/zinc/30/85/99/1049308599.db2.gz VDOPKNAXTTVGCD-NRFANRHFSA-N 1 0 309.453 4.322 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CCn1c2ccccc2c2ccccc21 ZINC001204936846 1049316302 /nfs/dbraw/zinc/31/63/02/1049316302.db2.gz BFTNRLHPWSUWGC-INIZCTEOSA-N 1 0 305.425 4.324 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CCC2(C#N)CCCCC2)[C@H](C)[C@H]1OC ZINC001194091515 1049327085 /nfs/dbraw/zinc/32/70/85/1049327085.db2.gz NBCMHHZJYUDURO-GVDBMIGSSA-N 1 0 306.494 4.280 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC001180301168 1049327779 /nfs/dbraw/zinc/32/77/79/1049327779.db2.gz JXSBYTGHJLHYCS-SJORKVTESA-N 1 0 317.436 4.466 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001194152932 1049327908 /nfs/dbraw/zinc/32/79/08/1049327908.db2.gz JUHPEIBOYLWWJB-UWJYYQICSA-N 1 0 320.436 4.410 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC001194155209 1049331620 /nfs/dbraw/zinc/33/16/20/1049331620.db2.gz ZRFBQGKDISESRC-DNVCBOLYSA-N 1 0 306.409 4.150 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC)CCCCCC)CC1 ZINC000116754166 1049331818 /nfs/dbraw/zinc/33/18/18/1049331818.db2.gz CQYUEVKCWANKSJ-KRWDZBQOSA-N 1 0 308.510 4.140 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC)CCCCCC)CC1 ZINC000116754162 1049332761 /nfs/dbraw/zinc/33/27/61/1049332761.db2.gz CQYUEVKCWANKSJ-QGZVFWFLSA-N 1 0 308.510 4.140 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cs1 ZINC001180288737 1049335942 /nfs/dbraw/zinc/33/59/42/1049335942.db2.gz KXVJRMPETNQNKN-UHFFFAOYSA-N 1 0 314.429 4.214 20 30 DIEDRO C=CCC1([NH2+][C@@H](CC)Cc2ccc(Cl)cc2)CCOCC1 ZINC000668551700 1049342462 /nfs/dbraw/zinc/34/24/62/1049342462.db2.gz UPUMQDZPOVYQFM-KRWDZBQOSA-N 1 0 307.865 4.376 20 30 DIEDRO C=CCC1([NH2+][C@H](C)Cc2ccccc2SC)CCOCC1 ZINC000668551320 1049343487 /nfs/dbraw/zinc/34/34/87/1049343487.db2.gz KBEKMHLYPCFXDD-OAHLLOKOSA-N 1 0 305.487 4.054 20 30 DIEDRO C=CCC1([NH2+][C@@H](C)CC(C)(C)c2ccccc2)CCOCC1 ZINC000668551283 1049344645 /nfs/dbraw/zinc/34/46/45/1049344645.db2.gz JHQRLQIBPYUNNY-KRWDZBQOSA-N 1 0 301.474 4.458 20 30 DIEDRO C=CC[NH+](CC=C)C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180375307 1049346872 /nfs/dbraw/zinc/34/68/72/1049346872.db2.gz OUQIFLDGDJLWPU-INIZCTEOSA-N 1 0 324.509 4.380 20 30 DIEDRO C=CCC1([NH2+]Cc2nnc(-c3cccc(F)c3)o2)CCCCC1 ZINC000859745916 1049347442 /nfs/dbraw/zinc/34/74/42/1049347442.db2.gz OPNPQYJOOFAPKK-UHFFFAOYSA-N 1 0 315.392 4.244 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000860069014 1049367820 /nfs/dbraw/zinc/36/78/20/1049367820.db2.gz AMXWWIAOLSFGON-UHFFFAOYSA-N 1 0 304.821 4.008 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC001205083610 1049368604 /nfs/dbraw/zinc/36/86/04/1049368604.db2.gz YZRAWHDONCGXKH-HNNXBMFYSA-N 1 0 308.400 4.498 20 30 DIEDRO CC#CCC[NH2+]Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001180469247 1049369134 /nfs/dbraw/zinc/36/91/34/1049369134.db2.gz HZAIVDIDCSGHJA-UHFFFAOYSA-N 1 0 300.229 4.284 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001194418299 1049373017 /nfs/dbraw/zinc/37/30/17/1049373017.db2.gz PTMZUWLOENAIRC-BEVDRBHNSA-N 1 0 309.409 4.473 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001180505307 1049377095 /nfs/dbraw/zinc/37/70/95/1049377095.db2.gz NIMYHLCUONNTBM-UHFFFAOYSA-N 1 0 316.426 4.461 20 30 DIEDRO Cc1cccc2c1CC(C)(C)[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001194563358 1049385352 /nfs/dbraw/zinc/38/53/52/1049385352.db2.gz WXQMSYPQZULOTL-UHFFFAOYSA-N 1 0 320.436 4.234 20 30 DIEDRO CCCCCCCCCC[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC001194536100 1049386389 /nfs/dbraw/zinc/38/63/89/1049386389.db2.gz YXCCDLYOXRUQQL-UHFFFAOYSA-N 1 0 321.484 4.483 20 30 DIEDRO C#CCCCCCC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001194633268 1049401256 /nfs/dbraw/zinc/40/12/56/1049401256.db2.gz PSBQSLJVTNWBFC-GOSISDBHSA-N 1 0 305.849 4.377 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cc1F ZINC001205235870 1049414924 /nfs/dbraw/zinc/41/49/24/1049414924.db2.gz GPSCVMYEKNOCDK-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](CCc3ccc(C#N)cc3)C2)cc1 ZINC001194715524 1049420643 /nfs/dbraw/zinc/42/06/43/1049420643.db2.gz QNKJCIJFHUSYQJ-NRFANRHFSA-N 1 0 304.437 4.153 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)CCC1 ZINC001194764941 1049427816 /nfs/dbraw/zinc/42/78/16/1049427816.db2.gz RKHASFVUOIHAQH-NRFANRHFSA-N 1 0 324.468 4.320 20 30 DIEDRO C=CCC[NH+]1[C@@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001194808171 1049432884 /nfs/dbraw/zinc/43/28/84/1049432884.db2.gz XWCPLNPTSRHZMJ-KBPBESRZSA-N 1 0 312.379 4.181 20 30 DIEDRO C=CC[N@@H+](Cc1cc2c(cc(F)cc2Br)[nH]1)C1CC1 ZINC001205312897 1049434223 /nfs/dbraw/zinc/43/42/23/1049434223.db2.gz ZCWNRTGQOUJYKY-UHFFFAOYSA-N 1 0 323.209 4.220 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001181132890 1049444854 /nfs/dbraw/zinc/44/48/54/1049444854.db2.gz LKAHQCWINWXQOF-CYBMUJFWSA-N 1 0 307.413 4.049 20 30 DIEDRO C=CCSCC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001205347693 1049445635 /nfs/dbraw/zinc/44/56/35/1049445635.db2.gz QOIRYODXKCIANM-GFCCVEGCSA-N 1 0 303.393 4.318 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001181135327 1049446148 /nfs/dbraw/zinc/44/61/48/1049446148.db2.gz UTQAWHCZGNECFQ-RCCFBDPRSA-N 1 0 310.526 4.218 20 30 DIEDRO CCCCCCCCCOC(=O)N[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001194921097 1049449396 /nfs/dbraw/zinc/44/93/96/1049449396.db2.gz VFSAMCMTAZLBLB-QAQDUYKDSA-N 1 0 312.498 4.336 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC001181267933 1049458491 /nfs/dbraw/zinc/45/84/91/1049458491.db2.gz WVJYCHDEKBHYCC-YPMHNXCESA-N 1 0 314.242 4.464 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000486768317 1049467204 /nfs/dbraw/zinc/46/72/04/1049467204.db2.gz BXHHBRJPVIOUHU-ZWKOTPCHSA-N 1 0 314.498 4.348 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000486768313 1049468061 /nfs/dbraw/zinc/46/80/61/1049468061.db2.gz BXHHBRJPVIOUHU-MSOLQXFVSA-N 1 0 314.498 4.348 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cnc2ccccc2n1 ZINC001181411044 1049469734 /nfs/dbraw/zinc/46/97/34/1049469734.db2.gz WXPRMXHEYPVLTB-UHFFFAOYSA-N 1 0 303.409 4.208 20 30 DIEDRO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205478918 1049481569 /nfs/dbraw/zinc/48/15/69/1049481569.db2.gz HFCLCPIROJDLKX-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001181435265 1049481836 /nfs/dbraw/zinc/48/18/36/1049481836.db2.gz BERJLWQGLYGSIC-DSKINZAPSA-N 1 0 324.468 4.121 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001205489777 1049484130 /nfs/dbraw/zinc/48/41/30/1049484130.db2.gz ZKPMUCQXPDHZEG-JQWIXIFHSA-N 1 0 321.770 4.080 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)c1ccc(Cl)cc1F ZINC000862365041 1049490075 /nfs/dbraw/zinc/49/00/75/1049490075.db2.gz KPQXVLWWHNTVFF-OTYXRUKQSA-N 1 0 301.739 4.177 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccc(Cl)cc1F ZINC000862365040 1049490971 /nfs/dbraw/zinc/49/09/71/1049490971.db2.gz KPQXVLWWHNTVFF-LKFCYVNXSA-N 1 0 301.739 4.177 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2OC)cc1 ZINC001204303429 1049498617 /nfs/dbraw/zinc/49/86/17/1049498617.db2.gz HCAJDIXOFHOXAW-INIZCTEOSA-N 1 0 311.425 4.453 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC001195248588 1049500827 /nfs/dbraw/zinc/50/08/27/1049500827.db2.gz BDEGVDLMLBMYDC-GOSISDBHSA-N 1 0 308.400 4.465 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC001195259442 1049504096 /nfs/dbraw/zinc/50/40/96/1049504096.db2.gz XWAMFQUXGZOHBI-JMLCCBQJSA-N 1 0 318.411 4.302 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CCc1cccnc1)c1ccc(Cl)cc1F ZINC001181697772 1049508074 /nfs/dbraw/zinc/50/80/74/1049508074.db2.gz NLPZNNKRUVBIDP-ACJLOTCBSA-N 1 0 316.807 4.159 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC001181753249 1049513292 /nfs/dbraw/zinc/51/32/92/1049513292.db2.gz NIWRHZCKMXDKHA-UHFFFAOYSA-N 1 0 308.809 4.474 20 30 DIEDRO N#CCC[N@@H+](Cc1ccc(CO)cc1)C1CCCCCCC1 ZINC001203188462 1049515669 /nfs/dbraw/zinc/51/56/69/1049515669.db2.gz 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C#C[C@H](CC)[NH2+]Cc1ccccc1Oc1ccc(C)cc1OC ZINC001205713669 1049541109 /nfs/dbraw/zinc/54/11/09/1049541109.db2.gz FTTZGWYQGZHOQJ-QGZVFWFLSA-N 1 0 309.409 4.297 20 30 DIEDRO C#C[C@@H]([NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)C ZINC001205713724 1049541764 /nfs/dbraw/zinc/54/17/64/1049541764.db2.gz HASZBGXIQRMCEE-HXUWFJFHSA-N 1 0 313.391 4.344 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc1 ZINC001205753394 1049554769 /nfs/dbraw/zinc/55/47/69/1049554769.db2.gz VJESSPLVWRXDMN-QZTJIDSGSA-N 1 0 317.473 4.323 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001195694650 1049558364 /nfs/dbraw/zinc/55/83/64/1049558364.db2.gz PTHKLHDAQPKNHH-HUUCEWRRSA-N 1 0 308.400 4.420 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC001181972874 1049559987 /nfs/dbraw/zinc/55/99/87/1049559987.db2.gz UXDNSQABOVBJJR-CYBMUJFWSA-N 1 0 300.368 4.367 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccccc1Cl ZINC000487568943 1049560315 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C#CCCCCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000119623910 1049591502 /nfs/dbraw/zinc/59/15/02/1049591502.db2.gz RBXZYRHPQUTIST-QGZVFWFLSA-N 1 0 312.457 4.051 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195946740 1049598844 /nfs/dbraw/zinc/59/88/44/1049598844.db2.gz MVSKYFSPDHSTRL-BLLLJJGKSA-N 1 0 314.256 4.315 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000775677344 1049601160 /nfs/dbraw/zinc/60/11/60/1049601160.db2.gz BWYJJOOABQJZDH-CJNGLKHVSA-N 1 0 306.837 4.301 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000488131781 1049603854 /nfs/dbraw/zinc/60/38/54/1049603854.db2.gz YLCRFGMUYJRCNJ-MRXNPFEDSA-N 1 0 300.446 4.210 20 30 DIEDRO CC(C)CC=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000863967500 1049605793 /nfs/dbraw/zinc/60/57/93/1049605793.db2.gz LTVVLZWAEZWILH-UHFFFAOYSA-N 1 0 308.838 4.104 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001196056930 1049606024 /nfs/dbraw/zinc/60/60/24/1049606024.db2.gz NMUVFDJBVYJNEV-QPSCCSFWSA-N 1 0 305.384 4.211 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC001196056153 1049606631 /nfs/dbraw/zinc/60/66/31/1049606631.db2.gz JFYHLWCKOXTUOB-ZFWWWQNUSA-N 1 0 323.383 4.275 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccc(F)cc1 ZINC001205974871 1049616894 /nfs/dbraw/zinc/61/68/94/1049616894.db2.gz VVHAOUYQDDSHRO-GVDBMIGSSA-N 1 0 303.421 4.072 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)Cc1coc2ccccc12)c1ccc(F)cc1 ZINC001205974819 1049617590 /nfs/dbraw/zinc/61/75/90/1049617590.db2.gz SZPAFZJFGHWKAL-AUUYWEPGSA-N 1 0 307.368 4.467 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001205988000 1049618516 /nfs/dbraw/zinc/61/85/16/1049618516.db2.gz CDKQNWCTKZRSEZ-CVEARBPZSA-N 1 0 318.436 4.046 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000774187652 1049618575 /nfs/dbraw/zinc/61/85/75/1049618575.db2.gz GJKKSYOZIASAFI-RBUKOAKNSA-N 1 0 323.396 4.274 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001205988002 1049620856 /nfs/dbraw/zinc/62/08/56/1049620856.db2.gz CDKQNWCTKZRSEZ-HZPDHXFCSA-N 1 0 318.436 4.046 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CC1CCC1)c1ccc(Br)cc1 ZINC001205987983 1049620922 /nfs/dbraw/zinc/62/09/22/1049620922.db2.gz BXEVXEVRBMHXAD-MLGOLLRUSA-N 1 0 306.247 4.292 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CC=C(C)CC1)c1ccc(Br)cc1 ZINC001205988663 1049621240 /nfs/dbraw/zinc/62/12/40/1049621240.db2.gz HUUGGKGOZZVHPN-CVEARBPZSA-N 1 0 304.231 4.212 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001205988001 1049622138 /nfs/dbraw/zinc/62/21/38/1049622138.db2.gz CDKQNWCTKZRSEZ-HOTGVXAUSA-N 1 0 318.436 4.046 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC001182325695 1049626349 /nfs/dbraw/zinc/62/63/49/1049626349.db2.gz CGYIWWQOODRLLV-XLIONFOSSA-N 1 0 309.453 4.490 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1nc2ccccc2nc1C ZINC001182327004 1049626659 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ZINC000774476943 1049672950 /nfs/dbraw/zinc/67/29/50/1049672950.db2.gz JSAUVUHXYCXOBP-ROUUACIJSA-N 1 0 316.489 4.309 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000774480606 1049673680 /nfs/dbraw/zinc/67/36/80/1049673680.db2.gz WVTTXFSBTIMXPU-CVEARBPZSA-N 1 0 316.445 4.429 20 30 DIEDRO Cc1ccc(/C=C/c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001206167867 1049674045 /nfs/dbraw/zinc/67/40/45/1049674045.db2.gz DEMJUKAMKBNBGE-VOTSOKGWSA-N 1 0 318.420 4.168 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000774479850 1049674573 /nfs/dbraw/zinc/67/45/73/1049674573.db2.gz RNIFGIHWHFCBOC-CVEARBPZSA-N 1 0 316.445 4.429 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc2scnc2c1 ZINC001182499789 1049679920 /nfs/dbraw/zinc/67/99/20/1049679920.db2.gz OUFQXFIKVZSOJL-ZDUSSCGKSA-N 1 0 307.422 4.361 20 30 DIEDRO CC(C)[C@H]1[N@H+](Cc2ccc(C#N)cc2F)CC12CCCCC2 ZINC001206215814 1049683549 /nfs/dbraw/zinc/68/35/49/1049683549.db2.gz QRWCNCZPRPEWNP-GOSISDBHSA-N 1 0 300.421 4.488 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1CC1 ZINC000774511293 1049683579 /nfs/dbraw/zinc/68/35/79/1049683579.db2.gz IFLOQEDUDDVXBN-PVAVHDDUSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1CC1 ZINC000774511289 1049684664 /nfs/dbraw/zinc/68/46/64/1049684664.db2.gz IFLOQEDUDDVXBN-OIISXLGYSA-N 1 0 322.493 4.109 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](Cc2sc(C)cc2Br)C1 ZINC001182542983 1049685116 /nfs/dbraw/zinc/68/51/16/1049685116.db2.gz ISYLADKLPFTRAP-LBPRGKRZSA-N 1 0 312.276 4.054 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001182543252 1049686057 /nfs/dbraw/zinc/68/60/57/1049686057.db2.gz KLJRWDOVEUZCOM-UHFFFAOYSA-N 1 0 323.411 4.250 20 30 DIEDRO N#CCCOCC[NH2+][C@H](CC1CCCCC1)c1ccccc1 ZINC000339070978 1049686442 /nfs/dbraw/zinc/68/64/42/1049686442.db2.gz NQDFMEFPIPELHT-LJQANCHMSA-N 1 0 300.446 4.218 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CCCCC1 ZINC001196953491 1049709639 /nfs/dbraw/zinc/70/96/39/1049709639.db2.gz XNUBIMYQSRGZSN-UHFFFAOYSA-N 1 0 321.848 4.495 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000774541369 1049710138 /nfs/dbraw/zinc/71/01/38/1049710138.db2.gz NKOZVOXOJSOTIR-HNNXBMFYSA-N 1 0 310.482 4.063 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[NH+]1CCC2(CCCCC2)CC1 ZINC001182796227 1049712068 /nfs/dbraw/zinc/71/20/68/1049712068.db2.gz QXWJYYLLSSWSHJ-UHFFFAOYSA-N 1 0 311.473 4.171 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001197144210 1049722356 /nfs/dbraw/zinc/72/23/56/1049722356.db2.gz DXQOGYWZCOARKV-SJORKVTESA-N 1 0 324.509 4.431 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001197144209 1049722725 /nfs/dbraw/zinc/72/27/25/1049722725.db2.gz DXQOGYWZCOARKV-IRXDYDNUSA-N 1 0 324.509 4.431 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001206372139 1049723229 /nfs/dbraw/zinc/72/32/29/1049723229.db2.gz XDSMOTXQAAGCJH-YYIAUSFCSA-N 1 0 322.493 4.157 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1nccn1C ZINC001206523927 1049751353 /nfs/dbraw/zinc/75/13/53/1049751353.db2.gz VXBKJSBYQPGZEZ-IEBWSBKVSA-N 1 0 311.473 4.428 20 30 DIEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000489403437 1049751909 /nfs/dbraw/zinc/75/19/09/1049751909.db2.gz LHJZKYRBDUBTOC-FQEVSTJZSA-N 1 0 320.436 4.479 20 30 DIEDRO C=C[C@H]1CCCCN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000489494769 1049763124 /nfs/dbraw/zinc/76/31/24/1049763124.db2.gz JXDWFKNOPFEKOH-LBPRGKRZSA-N 1 0 310.319 4.387 20 30 DIEDRO C=CCCSCC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001206591703 1049763462 /nfs/dbraw/zinc/76/34/62/1049763462.db2.gz UPPDPSVNXVIQBB-DLBZAZTESA-N 1 0 305.487 4.131 20 30 DIEDRO CCCCCCCC[C@@H](CC)OCCC[NH+]1CCN(C)CC1 ZINC001206596595 1049765662 /nfs/dbraw/zinc/76/56/62/1049765662.db2.gz PIWGENVMMXCPKO-LJQANCHMSA-N 1 0 312.542 4.170 20 30 DIEDRO CCCCCCCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150839843 1049770201 /nfs/dbraw/zinc/77/02/01/1049770201.db2.gz FISGNNZGAXXCKU-GOSISDBHSA-N 1 0 308.510 4.214 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC001206727458 1049785223 /nfs/dbraw/zinc/78/52/23/1049785223.db2.gz IAQDEGQWKQEILB-NJYVYQBISA-N 1 0 311.469 4.121 20 30 DIEDRO C#CCC[N@@H+](CCOC)Cc1ccc2oc3ccccc3c2c1 ZINC001206780948 1049798461 /nfs/dbraw/zinc/79/84/61/1049798461.db2.gz VJRSCAXTGJAIBD-UHFFFAOYSA-N 1 0 307.393 4.058 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](CC(CC)(CC)CNC(=O)OC(C)(C)C)C1 ZINC001206800039 1049802078 /nfs/dbraw/zinc/80/20/78/1049802078.db2.gz HPFCEEBIFQUGBM-INIZCTEOSA-N 1 0 324.509 4.216 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001207017897 1049820773 /nfs/dbraw/zinc/82/07/73/1049820773.db2.gz LYQAIZUQMCUOHF-BBWFWOEESA-N 1 0 324.509 4.499 20 30 DIEDRO CCCC[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001207034759 1049823782 /nfs/dbraw/zinc/82/37/82/1049823782.db2.gz JXZNLNSJASKKBS-IRXDYDNUSA-N 1 0 313.489 4.331 20 30 DIEDRO COc1ccc(CCC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000490356163 1049825216 /nfs/dbraw/zinc/82/52/16/1049825216.db2.gz XHFFDIVBVQJZDY-INIZCTEOSA-N 1 0 308.425 4.192 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001207050041 1049827178 /nfs/dbraw/zinc/82/71/78/1049827178.db2.gz QUWSRUZMRDNPAM-ULQDDVLXSA-N 1 0 324.509 4.499 20 30 DIEDRO CC(C)(C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000490428093 1049828416 /nfs/dbraw/zinc/82/84/16/1049828416.db2.gz CMJIESLAYQPOKY-WBVHZDCISA-N 1 0 315.461 4.069 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000151103594 1049837448 /nfs/dbraw/zinc/83/74/48/1049837448.db2.gz UCDBQECOVGKBFO-CQSZACIVSA-N 1 0 302.805 4.064 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207183796 1049853978 /nfs/dbraw/zinc/85/39/78/1049853978.db2.gz YYXBLPLZKDFJNJ-AZUAARDMSA-N 1 0 322.839 4.373 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207194668 1049860544 /nfs/dbraw/zinc/86/05/44/1049860544.db2.gz YNXSKHXHSDRVIG-GTAFRQKCSA-N 1 0 300.833 4.210 20 30 DIEDRO C=CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001207213493 1049863029 /nfs/dbraw/zinc/86/30/29/1049863029.db2.gz FLWZRGZNCMNAGB-MRXNPFEDSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCC[N@@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207220072 1049865451 /nfs/dbraw/zinc/86/54/51/1049865451.db2.gz QXWKBVIRHFUDAF-UHFFFAOYSA-N 1 0 324.509 4.312 20 30 DIEDRO CC(C)(C[NH+]1CCC(C#N)CC1)Sc1ccc(Cl)cc1 ZINC001207295532 1049877168 /nfs/dbraw/zinc/87/71/68/1049877168.db2.gz TZQKLCXSDFXXSW-UHFFFAOYSA-N 1 0 308.878 4.446 20 30 DIEDRO CC(C)(C[N@@H+]1CC[C@](C)(C#N)C1)Sc1ccc(Cl)cc1 ZINC001207298672 1049877737 /nfs/dbraw/zinc/87/77/37/1049877737.db2.gz ARYAJGFDUQAUSR-MRXNPFEDSA-N 1 0 308.878 4.446 20 30 DIEDRO C=CCN1CC[NH+](CC(C)(C)Sc2ccc(Cl)cc2)CC1 ZINC001207296521 1049878016 /nfs/dbraw/zinc/87/80/16/1049878016.db2.gz MCLIVAZBUAQAKT-UHFFFAOYSA-N 1 0 324.921 4.014 20 30 DIEDRO C=CCCC[C@@H]([NH2+]CCC(C)(C)C(=O)OC)c1ccccc1 ZINC001207342095 1049881741 /nfs/dbraw/zinc/88/17/41/1049881741.db2.gz XFLLMAMUOWNJHK-QGZVFWFLSA-N 1 0 303.446 4.263 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1)c1ccccc1 ZINC001207342050 1049882294 /nfs/dbraw/zinc/88/22/94/1049882294.db2.gz WMFJKRDABKGUAZ-DFQSSKMNSA-N 1 0 309.457 4.211 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C1CC(C)(C(=O)OCC)C1)c1ccccc1 ZINC001207340726 1049882441 /nfs/dbraw/zinc/88/24/41/1049882441.db2.gz AYAQLWKGSAIZCR-QPIRBTGLSA-N 1 0 315.457 4.405 20 30 DIEDRO CCC(CC)C[N@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491112373 1049884392 /nfs/dbraw/zinc/88/43/92/1049884392.db2.gz INLCVUJTMCJIAE-UHFFFAOYSA-N 1 0 324.472 4.217 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC001207424319 1049890374 /nfs/dbraw/zinc/89/03/74/1049890374.db2.gz QMWOJPDPBLLZMT-BRWVUGGUSA-N 1 0 306.453 4.115 20 30 DIEDRO C=CCSCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000164949787 1049893734 /nfs/dbraw/zinc/89/37/34/1049893734.db2.gz DJWAARSQEUODPU-UHFFFAOYSA-N 1 0 320.683 4.111 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1ccc(C)c(Br)c1 ZINC001207440087 1049894135 /nfs/dbraw/zinc/89/41/35/1049894135.db2.gz SRTXFAHYLNDZHE-UHFFFAOYSA-N 1 0 308.263 4.431 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000586778934 1049898316 /nfs/dbraw/zinc/89/83/16/1049898316.db2.gz CEWPOLWACGWKKL-SNDJDQCESA-N 1 0 310.347 4.127 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H](CC)Cc2ccc(OC)c(OC)c2)CC1 ZINC001207494213 1049899091 /nfs/dbraw/zinc/89/90/91/1049899091.db2.gz WUOZNDLKRWHIRW-SFHVURJKSA-N 1 0 317.473 4.361 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2)CC1 ZINC001207494390 1049899099 /nfs/dbraw/zinc/89/90/99/1049899099.db2.gz YZVMPEVDOQTVJK-INIZCTEOSA-N 1 0 300.446 4.048 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791336 1049899842 /nfs/dbraw/zinc/89/98/42/1049899842.db2.gz ZIUVFCSEXZOPOO-CZUORRHYSA-N 1 0 321.380 4.229 20 30 DIEDRO CC(C)c1ccc(CC[N@@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001207519498 1049902257 /nfs/dbraw/zinc/90/22/57/1049902257.db2.gz PKAUWUCAODKIDI-UHFFFAOYSA-N 1 0 304.437 4.282 20 30 DIEDRO Cc1cccc(CC[NH+]2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001207532785 1049906201 /nfs/dbraw/zinc/90/62/01/1049906201.db2.gz GMHVXKFMACXEGE-UHFFFAOYSA-N 1 0 304.437 4.095 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001207557192 1049908827 /nfs/dbraw/zinc/90/88/27/1049908827.db2.gz BQDVKFNEURVXIN-UYZJDOOPSA-N 1 0 308.469 4.272 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)cs1 ZINC000055043016 1049914010 /nfs/dbraw/zinc/91/40/10/1049914010.db2.gz JCQOZERESDPTNA-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CCCC1CCCCC1)C2 ZINC001207608039 1049916741 /nfs/dbraw/zinc/91/67/41/1049916741.db2.gz MFRAOJMBXPSJRG-UXHICEINSA-N 1 0 321.505 4.173 20 30 DIEDRO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000156489279 1049927468 /nfs/dbraw/zinc/92/74/68/1049927468.db2.gz BOMCZWJIOQAECB-MOPGFXCFSA-N 1 0 324.424 4.110 20 30 DIEDRO C#Cc1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC001207752680 1049934998 /nfs/dbraw/zinc/93/49/98/1049934998.db2.gz CUOSGAUERPRAEN-UHFFFAOYSA-N 1 0 324.855 4.398 20 30 DIEDRO CCCCCCC[N@H+](C)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC001207766268 1049936519 /nfs/dbraw/zinc/93/65/19/1049936519.db2.gz ZIRJREIFZZSIAG-UHFFFAOYSA-N 1 0 312.498 4.146 20 30 DIEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000571569294 1049937237 /nfs/dbraw/zinc/93/72/37/1049937237.db2.gz YKTHCLJIIADVTA-NVXWUHKLSA-N 1 0 316.445 4.141 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)CCOCC1 ZINC001207775497 1049937887 /nfs/dbraw/zinc/93/78/87/1049937887.db2.gz QZBAIIVRHJUBRZ-MSOLQXFVSA-N 1 0 304.478 4.035 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(NC(=O)CC)CC1 ZINC001207898764 1049950333 /nfs/dbraw/zinc/95/03/33/1049950333.db2.gz FAFQTJGCMLHYSH-UHFFFAOYSA-N 1 0 308.510 4.284 20 30 DIEDRO C=CCCCCCCCCC[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001207899159 1049950700 /nfs/dbraw/zinc/95/07/00/1049950700.db2.gz OIMHGBDQCJVOOQ-IRXDYDNUSA-N 1 0 303.437 4.038 20 30 DIEDRO C=CCCCCCCCCC[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001207899193 1049951288 /nfs/dbraw/zinc/95/12/88/1049951288.db2.gz POBNEFHSNIIRKH-CVEARBPZSA-N 1 0 321.427 4.396 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001207899966 1049952071 /nfs/dbraw/zinc/95/20/71/1049952071.db2.gz RRCNCOPLPOESLB-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO C=CCCCCCCCCC[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001207900239 1049952918 /nfs/dbraw/zinc/95/29/18/1049952918.db2.gz ZVWTYAYTLOYARW-IBGZPJMESA-N 1 0 307.478 4.465 20 30 DIEDRO C[C@@H](C[NH+]1CCC(C#N)(c2ccccc2F)CC1)c1ccccc1 ZINC001207912982 1049954913 /nfs/dbraw/zinc/95/49/13/1049954913.db2.gz AQHYXOCKCBJONX-KRWDZBQOSA-N 1 0 322.427 4.487 20 30 DIEDRO Cc1ccc(CCC[NH+]2CCC(C#N)(c3ccccc3)CC2)o1 ZINC001207937413 1049958887 /nfs/dbraw/zinc/95/88/87/1049958887.db2.gz JNYFRZYIGOGLHI-UHFFFAOYSA-N 1 0 308.425 4.078 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](CCCC1CCCC1)CCO2 ZINC001208091312 1049972221 /nfs/dbraw/zinc/97/22/21/1049972221.db2.gz WPCBBKVRXDWWIS-WOJBJXKFSA-N 1 0 321.505 4.031 20 30 DIEDRO CCCCCCC/C=C/CN1CCc2onc(COC)c2C1 ZINC001208118061 1049974246 /nfs/dbraw/zinc/97/42/46/1049974246.db2.gz CDUXQVGAETXEFN-MDZDMXLPSA-N 1 0 306.450 4.096 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001208118321 1049975072 /nfs/dbraw/zinc/97/50/72/1049975072.db2.gz FYNIKTSXMSGMTE-CSHXORCISA-N 1 0 306.494 4.038 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001208118432 1049975242 /nfs/dbraw/zinc/97/52/42/1049975242.db2.gz GYPXORIOOMEINW-KZQNYRHTSA-N 1 0 301.421 4.117 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001208119032 1049975430 /nfs/dbraw/zinc/97/54/30/1049975430.db2.gz VJRBFGZLDCHNCD-CMDGGOBGSA-N 1 0 320.521 4.238 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001208118324 1049975676 /nfs/dbraw/zinc/97/56/76/1049975676.db2.gz FYNIKTSXMSGMTE-SGQUHAKNSA-N 1 0 306.494 4.038 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1CCC[C@H](c2nnc(C)o2)C1 ZINC001208123207 1049975797 /nfs/dbraw/zinc/97/57/97/1049975797.db2.gz GQORBJDMRJLFTJ-FVNWOWOISA-N 1 0 305.466 4.474 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000588231357 1049976392 /nfs/dbraw/zinc/97/63/92/1049976392.db2.gz KJDDVGOQUHSDEN-GXSJLCMTSA-N 1 0 318.289 4.156 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000588231654 1049976517 /nfs/dbraw/zinc/97/65/17/1049976517.db2.gz NYKWKCPEGOCPTF-OAHLLOKOSA-N 1 0 321.262 4.356 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCC/C=C\CC)[C@@H]2CC ZINC001208136346 1049976861 /nfs/dbraw/zinc/97/68/61/1049976861.db2.gz UACVPNMWMHZLAX-IELZWVCUSA-N 1 0 318.505 4.154 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001208166536 1049979901 /nfs/dbraw/zinc/97/99/01/1049979901.db2.gz BIWPDFCKHZVBGU-LJQANCHMSA-N 1 0 302.506 4.239 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](c3nc(CC)no3)C2)CC1 ZINC001208176210 1049980743 /nfs/dbraw/zinc/98/07/43/1049980743.db2.gz AHOKIVDMGLAJDO-SJORKVTESA-N 1 0 315.461 4.114 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(N(C(C)=O)C(C)C)CC2)CC1 ZINC001208177845 1049981938 /nfs/dbraw/zinc/98/19/38/1049981938.db2.gz HUDOCBBGLBPAIR-LJQANCHMSA-N 1 0 318.505 4.010 20 30 DIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CCCCCC#N)c2C1 ZINC000588653515 1049989178 /nfs/dbraw/zinc/98/91/78/1049989178.db2.gz HOLGGPMMDRLPSH-UHFFFAOYSA-N 1 0 313.445 4.071 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+](CC[C@H](C)CC(C)(C)C)CC2 ZINC001208653312 1049999238 /nfs/dbraw/zinc/99/92/38/1049999238.db2.gz HCUYMZKRJPAOFT-KRWDZBQOSA-N 1 0 320.521 4.092 20 30 DIEDRO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(CCC#N)CC1 ZINC000572360181 1050001353 /nfs/dbraw/zinc/00/13/53/1050001353.db2.gz KLWFAXXPNZCDTQ-HNNXBMFYSA-N 1 0 309.413 4.418 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccc(C(F)(F)F)cc1 ZINC001208689860 1050002296 /nfs/dbraw/zinc/00/22/96/1050002296.db2.gz AEPGLXIRLMCXDY-XGBSXSJOSA-N 1 0 322.374 4.405 20 30 DIEDRO C[C@@H](C[N@@H+]1CCC2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710082 1050006102 /nfs/dbraw/zinc/00/61/02/1050006102.db2.gz NSEDMYHEPGTZPK-LIRRHRJNSA-N 1 0 323.461 4.217 20 30 DIEDRO C=C(C)C[N@H+](CC)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001208764203 1050009352 /nfs/dbraw/zinc/00/93/52/1050009352.db2.gz YQLMDBDNCLXTGF-QGZVFWFLSA-N 1 0 318.461 4.150 20 30 DIEDRO CC[C@H](CCC(=O)OC)C[N@H+](CCC#N)C1CCCCCCC1 ZINC001208790049 1050011043 /nfs/dbraw/zinc/01/10/43/1050011043.db2.gz WGGOVYMQWZPNHK-QGZVFWFLSA-N 1 0 322.493 4.294 20 30 DIEDRO N#CCC1CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001208825226 1050013051 /nfs/dbraw/zinc/01/30/51/1050013051.db2.gz BUFYGQFRMILPTC-UHFFFAOYSA-N 1 0 321.262 4.007 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000588976794 1050015346 /nfs/dbraw/zinc/01/53/46/1050015346.db2.gz YHSWBZJHZZQJJF-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO N#Cc1cccc(CCC[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC001208850458 1050015907 /nfs/dbraw/zinc/01/59/07/1050015907.db2.gz CEOAKMZSSZBNAB-UHFFFAOYSA-N 1 0 320.436 4.076 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC001208843939 1050015849 /nfs/dbraw/zinc/01/58/49/1050015849.db2.gz BXAFJQDUSNMLSD-FQEVSTJZSA-N 1 0 308.400 4.467 20 30 DIEDRO CC[N@H+](CCCc1cccc(C#N)c1)Cc1cccc(F)c1F ZINC001208854808 1050017608 /nfs/dbraw/zinc/01/76/08/1050017608.db2.gz VHYIKBLNXPXZNM-UHFFFAOYSA-N 1 0 314.379 4.291 20 30 DIEDRO N#Cc1ccc(CCC[NH+]2CCC3(CC[C@H](F)C3)CC2)cc1 ZINC001208862301 1050018891 /nfs/dbraw/zinc/01/88/91/1050018891.db2.gz HQPSQAMGXCZVPU-SFHVURJKSA-N 1 0 300.421 4.095 20 30 DIEDRO CCCCOc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001204720939 1050021415 /nfs/dbraw/zinc/02/14/15/1050021415.db2.gz FBJMVFJHIYXYBW-UHFFFAOYSA-N 1 0 308.425 4.369 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC001208927769 1050023669 /nfs/dbraw/zinc/02/36/69/1050023669.db2.gz QNHJLZCYLAIDJR-SFHVURJKSA-N 1 0 310.828 4.244 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001208928159 1050025878 /nfs/dbraw/zinc/02/58/78/1050025878.db2.gz WPBZKFRGMZGUHT-GOSISDBHSA-N 1 0 310.828 4.244 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)CC2 ZINC000589341697 1050028507 /nfs/dbraw/zinc/02/85/07/1050028507.db2.gz WWYCSJGJRRPVGE-LEWJYISDSA-N 1 0 302.421 4.156 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(C(F)(F)F)c1 ZINC000589498029 1050037619 /nfs/dbraw/zinc/03/76/19/1050037619.db2.gz LURNLSYUELJXRY-CQSZACIVSA-N 1 0 320.314 4.160 20 30 DIEDRO C=CCC[N@@H+](CCCC(C)(C)OC(C)=O)Cc1ccccc1 ZINC001209153270 1050040110 /nfs/dbraw/zinc/04/01/10/1050040110.db2.gz FDFXYUKLZLSWRL-UHFFFAOYSA-N 1 0 303.446 4.187 20 30 DIEDRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589513529 1050042371 /nfs/dbraw/zinc/04/23/71/1050042371.db2.gz BQTFBICPDVEOHW-UHFFFAOYSA-N 1 0 324.268 4.398 20 30 DIEDRO C=CCCCC[N@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC001209201803 1050043461 /nfs/dbraw/zinc/04/34/61/1050043461.db2.gz TTWURDBKAPOZAK-GOSISDBHSA-N 1 0 314.473 4.453 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001209201763 1050043798 /nfs/dbraw/zinc/04/37/98/1050043798.db2.gz QZVZFDZLZLFNIH-IBGZPJMESA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001209201903 1050044041 /nfs/dbraw/zinc/04/40/41/1050044041.db2.gz YQEGCIYVLQGAAU-UHFFFAOYSA-N 1 0 322.493 4.066 20 30 DIEDRO C#CCCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001209270005 1050049347 /nfs/dbraw/zinc/04/93/47/1050049347.db2.gz SYWTZLPDVPFUMH-UHFFFAOYSA-N 1 0 311.347 4.178 20 30 DIEDRO C=CC[N@@H+](CCCCCCC(=O)OCC)Cc1ccccc1 ZINC001209350786 1050052814 /nfs/dbraw/zinc/05/28/14/1050052814.db2.gz MOGZOUHNZOJOLF-UHFFFAOYSA-N 1 0 303.446 4.188 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCCOC2CCCC2)cc1Cl ZINC000589647061 1050053368 /nfs/dbraw/zinc/05/33/68/1050053368.db2.gz CWQKGXQYRSRDNC-UHFFFAOYSA-N 1 0 323.864 4.344 20 30 DIEDRO C=CCCCCC[NH+]1CCC(Oc2cccc(Cl)n2)CC1 ZINC001209429098 1050057432 /nfs/dbraw/zinc/05/74/32/1050057432.db2.gz SXUXYHXUJHTEJM-UHFFFAOYSA-N 1 0 308.853 4.325 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001209423023 1050057593 /nfs/dbraw/zinc/05/75/93/1050057593.db2.gz MMCKXZUQMVMBEL-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCCCC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209435203 1050058179 /nfs/dbraw/zinc/05/81/79/1050058179.db2.gz GEOQXDGAPXHAEQ-UHFFFAOYSA-N 1 0 324.509 4.454 20 30 DIEDRO C=CCCCCCC[N@H+]1CCc2ncc(Br)cc2C1 ZINC001209435532 1050058327 /nfs/dbraw/zinc/05/83/27/1050058327.db2.gz DNILBIMTVHMVRX-UHFFFAOYSA-N 1 0 323.278 4.339 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(c2nc(CCC)no2)CC1 ZINC001209440490 1050059279 /nfs/dbraw/zinc/05/92/79/1050059279.db2.gz LAHXSOIVKUYXQT-UHFFFAOYSA-N 1 0 305.466 4.338 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001209440742 1050059426 /nfs/dbraw/zinc/05/94/26/1050059426.db2.gz BQELIWDIKZVJRH-UHFFFAOYSA-N 1 0 301.478 4.120 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC001209441735 1050059555 /nfs/dbraw/zinc/05/95/55/1050059555.db2.gz JUJGSKAZRJGRGE-UHFFFAOYSA-N 1 0 317.477 4.155 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(Oc2cccnc2)CC1 ZINC001209439423 1050059670 /nfs/dbraw/zinc/05/96/70/1050059670.db2.gz OUFIPRRBWYXIKA-UHFFFAOYSA-N 1 0 302.462 4.451 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@@H]2OCCC[C@@]2(COC)C1 ZINC001209440465 1050059730 /nfs/dbraw/zinc/05/97/30/1050059730.db2.gz DBBMPTXDBIRSBX-OALUTQOASA-N 1 0 309.494 4.031 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001209435935 1050059770 /nfs/dbraw/zinc/05/97/70/1050059770.db2.gz KQYJRLLPDAXUAU-UHFFFAOYSA-N 1 0 323.868 4.110 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001209444819 1050060536 /nfs/dbraw/zinc/06/05/36/1050060536.db2.gz ZLBODIRNWTXHKN-UHFFFAOYSA-N 1 0 320.521 4.284 20 30 DIEDRO C=C(C[NH2+]Cc1nc2ccccc2n1CCC)c1ccccc1 ZINC000589841138 1050060799 /nfs/dbraw/zinc/06/07/99/1050060799.db2.gz GILOQFLTOWUVFL-UHFFFAOYSA-N 1 0 305.425 4.249 20 30 DIEDRO CC(C)O[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000589990817 1050070954 /nfs/dbraw/zinc/07/09/54/1050070954.db2.gz BWYJWRZVFZFHRJ-OXQOHEQNSA-N 1 0 308.425 4.375 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(C3CC3)CC2)c(C(F)(F)F)c1 ZINC000590052412 1050074564 /nfs/dbraw/zinc/07/45/64/1050074564.db2.gz BPSWJHFNAPHSRP-UHFFFAOYSA-N 1 0 308.347 4.199 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590153837 1050079630 /nfs/dbraw/zinc/07/96/30/1050079630.db2.gz FRZBQPQFQFIHTF-UHFFFAOYSA-N 1 0 302.296 4.012 20 30 DIEDRO Cn1cc(C[N@H+](CCC#N)C2CCCCCCC2)c2cccnc21 ZINC001209748096 1050079872 /nfs/dbraw/zinc/07/98/72/1050079872.db2.gz BTEARYJFCZTSLA-UHFFFAOYSA-N 1 0 324.472 4.402 20 30 DIEDRO C=C(C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1)c1ccccc1 ZINC000590183931 1050080793 /nfs/dbraw/zinc/08/07/93/1050080793.db2.gz FHVSIRWDRSJCPP-MJGOQNOKSA-N 1 0 315.457 4.192 20 30 DIEDRO CCc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000590169953 1050081292 /nfs/dbraw/zinc/08/12/92/1050081292.db2.gz KDEOINUTGVWZNF-OAHLLOKOSA-N 1 0 307.441 4.490 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000590244535 1050083161 /nfs/dbraw/zinc/08/31/61/1050083161.db2.gz AGMXKAFZVQDIFA-LIRRHRJNSA-N 1 0 322.408 4.147 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)c1 ZINC000590254455 1050083431 /nfs/dbraw/zinc/08/34/31/1050083431.db2.gz PGWWZBUYNABNCN-HXUWFJFHSA-N 1 0 324.855 4.365 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ccc(C(C)(C)C#N)nc2)cc1 ZINC001209822734 1050089297 /nfs/dbraw/zinc/08/92/97/1050089297.db2.gz OWOLJSRVQBQLAX-UHFFFAOYSA-N 1 0 322.456 4.468 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ccc(C#N)c(OC)c2)cc1 ZINC001209824058 1050089937 /nfs/dbraw/zinc/08/99/37/1050089937.db2.gz FMQWREVUWZXRMZ-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ccc(C#N)cc2OC)cc1 ZINC001209823575 1050090138 /nfs/dbraw/zinc/09/01/38/1050090138.db2.gz IVDBFOFAIRYPOU-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000572952787 1050095715 /nfs/dbraw/zinc/09/57/15/1050095715.db2.gz JIVCLYLAYDAZHW-WMLDXEAASA-N 1 0 301.409 4.336 20 30 DIEDRO CC[C@@H](C)Oc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1OC ZINC000590656422 1050101530 /nfs/dbraw/zinc/10/15/30/1050101530.db2.gz CIIPSDIVGBOWEL-VYDXJSESSA-N 1 0 316.445 4.044 20 30 DIEDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000590647759 1050101618 /nfs/dbraw/zinc/10/16/18/1050101618.db2.gz PMSUBSGFVFDRNE-PMACEKPBSA-N 1 0 320.436 4.272 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccccc2C#N)[C@@H](C)C2CC2)cc1 ZINC000057601461 1050101630 /nfs/dbraw/zinc/10/16/30/1050101630.db2.gz ZCSVQOYQLYNBQD-INIZCTEOSA-N 1 0 320.436 4.368 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000590763892 1050105084 /nfs/dbraw/zinc/10/50/84/1050105084.db2.gz NFYIPCCEUMMTEA-LJQANCHMSA-N 1 0 314.498 4.207 20 30 DIEDRO CCOc1ccc(C[C@@H](C)C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000590781205 1050106553 /nfs/dbraw/zinc/10/65/53/1050106553.db2.gz FVKFJUUSEWROIN-MRXNPFEDSA-N 1 0 302.462 4.183 20 30 DIEDRO N#Cc1csc(C[NH2+]C2(Cc3ccccc3)CCCCC2)n1 ZINC000573023579 1050116725 /nfs/dbraw/zinc/11/67/25/1050116725.db2.gz VSNKVIDMOCCIAN-UHFFFAOYSA-N 1 0 311.454 4.050 20 30 DIEDRO N#CC1(CC[N@@H+]2CCCO[C@@H](c3ccccc3)C2)CCCCC1 ZINC000591013276 1050118895 /nfs/dbraw/zinc/11/88/95/1050118895.db2.gz QXNDESQYKGJEJE-LJQANCHMSA-N 1 0 312.457 4.314 20 30 DIEDRO C[C@@H](CCC#N)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000591012829 1050119019 /nfs/dbraw/zinc/11/90/19/1050119019.db2.gz MKRPYNZFTZELEU-AWEZNQCLSA-N 1 0 315.392 4.037 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)cc1 ZINC000591021717 1050121373 /nfs/dbraw/zinc/12/13/73/1050121373.db2.gz OVUZAZRJRLWSAY-UHFFFAOYSA-N 1 0 324.374 4.456 20 30 DIEDRO C=CC[N@@H+](CCCCCn1cc(C)cn1)Cc1cccs1 ZINC000591084446 1050122343 /nfs/dbraw/zinc/12/23/43/1050122343.db2.gz KDXIBGUJADRIIB-UHFFFAOYSA-N 1 0 303.475 4.112 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000591241422 1050131795 /nfs/dbraw/zinc/13/17/95/1050131795.db2.gz INZYRLRYKCFUQE-VLIAUNLRSA-N 1 0 306.409 4.213 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000591241421 1050131864 /nfs/dbraw/zinc/13/18/64/1050131864.db2.gz INZYRLRYKCFUQE-VBKZILBWSA-N 1 0 306.409 4.213 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000591348840 1050142002 /nfs/dbraw/zinc/14/20/02/1050142002.db2.gz IPLOTMFWGIYBRN-YWZLYKJASA-N 1 0 305.425 4.298 20 30 DIEDRO CC1(C)CC(=O)C=C(Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC001210151295 1050145090 /nfs/dbraw/zinc/14/50/90/1050145090.db2.gz DNPQDDBWBDMCJR-UHFFFAOYSA-N 1 0 312.457 4.357 20 30 DIEDRO CC(C)CC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000770350257 1050154524 /nfs/dbraw/zinc/15/45/24/1050154524.db2.gz GQOAQRCRZMOGED-MRXNPFEDSA-N 1 0 300.446 4.236 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C/C=C\c2ccccc2)c1 ZINC000733800494 1050156293 /nfs/dbraw/zinc/15/62/93/1050156293.db2.gz WBPZSHHUDNMEKJ-ABMFHFBKSA-N 1 0 306.409 4.171 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000823831088 1050158448 /nfs/dbraw/zinc/15/84/48/1050158448.db2.gz PNSVGJKYPIOTIT-OXQOHEQNSA-N 1 0 320.436 4.187 20 30 DIEDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000282557826 1050161901 /nfs/dbraw/zinc/16/19/01/1050161901.db2.gz YASANMMSXZBNDN-AWEZNQCLSA-N 1 0 324.428 4.009 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000823876997 1050164599 /nfs/dbraw/zinc/16/45/99/1050164599.db2.gz UUQCZINEPSCDNP-IOJLRTSASA-N 1 0 312.457 4.216 20 30 DIEDRO C=CC[C@@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)c1ccncc1 ZINC000823887652 1050165692 /nfs/dbraw/zinc/16/56/92/1050165692.db2.gz MRXUFXMKIHYBJY-FZKQIMNGSA-N 1 0 302.368 4.370 20 30 DIEDRO C=CC[C@H]([NH2+]C[C@H](C)c1cc(F)cc(F)c1)c1ccncc1 ZINC000823887654 1050166184 /nfs/dbraw/zinc/16/61/84/1050166184.db2.gz MRXUFXMKIHYBJY-UGSOOPFHSA-N 1 0 302.368 4.370 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC12CCSCC2 ZINC000591532464 1050167636 /nfs/dbraw/zinc/16/76/36/1050167636.db2.gz UGGAVCPTHBVLOA-FUHWJXTLSA-N 1 0 312.482 4.059 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)CC2 ZINC001171036473 1050168188 /nfs/dbraw/zinc/16/81/88/1050168188.db2.gz GPFWCBIPQPEDGK-GOSISDBHSA-N 1 0 322.839 4.127 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2c1CCCN2 ZINC000591579250 1050177489 /nfs/dbraw/zinc/17/74/89/1050177489.db2.gz CYKGYPPMLWKSCM-NRFANRHFSA-N 1 0 317.436 4.084 20 30 DIEDRO CC[N@@H+]1CCC[C@H](OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001210246533 1050178893 /nfs/dbraw/zinc/17/88/93/1050178893.db2.gz MRKFJPIOUMQXII-FQEVSTJZSA-N 1 0 320.436 4.226 20 30 DIEDRO CC(C)[N@@H+]1CC[C@@H](OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001210247460 1050179816 /nfs/dbraw/zinc/17/98/16/1050179816.db2.gz UTIPAYRODAJUPW-HXUWFJFHSA-N 1 0 320.436 4.225 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)nc1 ZINC000824231163 1050191360 /nfs/dbraw/zinc/19/13/60/1050191360.db2.gz JKVMSBGVRCTYCL-GOSISDBHSA-N 1 0 323.827 4.332 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000378906396 1050192114 /nfs/dbraw/zinc/19/21/14/1050192114.db2.gz ZFYXHDCWLYYEOT-INIZCTEOSA-N 1 0 310.526 4.362 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000591761353 1050200332 /nfs/dbraw/zinc/20/03/32/1050200332.db2.gz CGDXCCLTOPVWPR-IERDGZPVSA-N 1 0 315.420 4.374 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001171058916 1050219414 /nfs/dbraw/zinc/21/94/14/1050219414.db2.gz MSIJEENVDSJZBG-CYBMUJFWSA-N 1 0 309.240 4.134 20 30 DIEDRO C=CCCCCCN(C)C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001136888470 1050221503 /nfs/dbraw/zinc/22/15/03/1050221503.db2.gz HNUCXANVPXUWLC-UHFFFAOYSA-N 1 0 313.445 4.109 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1c2ccccc2oc1CC ZINC000734158978 1050231634 /nfs/dbraw/zinc/23/16/34/1050231634.db2.gz BAZKDYNXBHJKIH-UHFFFAOYSA-N 1 0 319.404 4.297 20 30 DIEDRO Cc1ccc(N[C@@H]2CCc3c2cccc3C#N)c(C[NH+](C)C)c1 ZINC001171063168 1050236668 /nfs/dbraw/zinc/23/66/68/1050236668.db2.gz HAPWXFJTRPZLEA-HXUWFJFHSA-N 1 0 305.425 4.028 20 30 DIEDRO CC(C)[NH+]1CCC(Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000824721788 1050238932 /nfs/dbraw/zinc/23/89/32/1050238932.db2.gz JPKHQWWBNGSSPO-UHFFFAOYSA-N 1 0 315.461 4.020 20 30 DIEDRO CC(C)(S)C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066922 1050247674 /nfs/dbraw/zinc/24/76/74/1050247674.db2.gz RNXZUZGEPLRVRY-NSHDSACASA-N 1 0 304.286 4.149 20 30 DIEDRO CC(C)(S)C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171066921 1050247772 /nfs/dbraw/zinc/24/77/72/1050247772.db2.gz RNXZUZGEPLRVRY-LLVKDONJSA-N 1 0 304.286 4.149 20 30 DIEDRO N#CCC1C[NH+](Cc2ccc3ccc(-c4ccccc4)nc3c2)C1 ZINC001136943397 1050250930 /nfs/dbraw/zinc/25/09/30/1050250930.db2.gz FMAHSGXCVHSNDS-UHFFFAOYSA-N 1 0 313.404 4.247 20 30 DIEDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000771534438 1050262513 /nfs/dbraw/zinc/26/25/13/1050262513.db2.gz VOUXPAWMTPZSGT-INIZCTEOSA-N 1 0 307.441 4.207 20 30 DIEDRO CCN(Cc1ccncc1C#N)[C@H](C)c1cc2ccccc2o1 ZINC000592061893 1050262934 /nfs/dbraw/zinc/26/29/34/1050262934.db2.gz UJQOPIPWWPZOQV-CQSZACIVSA-N 1 0 305.381 4.283 20 30 DIEDRO N#CC1(CCC[NH2+]C2(c3ccccc3Cl)CC2)CCOCC1 ZINC000592137634 1050273149 /nfs/dbraw/zinc/27/31/49/1050273149.db2.gz KCZBSUAOPLPYSD-UHFFFAOYSA-N 1 0 318.848 4.019 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000825090557 1050277469 /nfs/dbraw/zinc/27/74/69/1050277469.db2.gz BSFJOYBHESRLTC-ZHALLVOQSA-N 1 0 302.462 4.416 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)cc1 ZINC000734506899 1050278270 /nfs/dbraw/zinc/27/82/70/1050278270.db2.gz OTYJVKXUDYBDGU-UHFFFAOYSA-N 1 0 324.330 4.386 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccncc1 ZINC000734508691 1050279555 /nfs/dbraw/zinc/27/95/55/1050279555.db2.gz BVKWIHLFCZXJHN-FQEVSTJZSA-N 1 0 321.424 4.171 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cc2cccc(OC)c2o1)c1ccncc1 ZINC000734509376 1050279731 /nfs/dbraw/zinc/27/97/31/1050279731.db2.gz KMJBPHSBDIYMFR-QGZVFWFLSA-N 1 0 308.381 4.243 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(COc3cccc(F)c3)cc2)C1 ZINC000592394530 1050291822 /nfs/dbraw/zinc/29/18/22/1050291822.db2.gz PFDJQYWAXARRBA-PKOBYXMFSA-N 1 0 324.399 4.187 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CSc2ccccc2O1)c1cccc(C#N)c1 ZINC000592392572 1050292865 /nfs/dbraw/zinc/29/28/65/1050292865.db2.gz NMRXVMWOZHVGKF-PBHICJAKSA-N 1 0 324.449 4.152 20 30 DIEDRO CCCCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000783300417 1050294584 /nfs/dbraw/zinc/29/45/84/1050294584.db2.gz LZJNHAZUDOERGD-INIZCTEOSA-N 1 0 323.440 4.373 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000771894257 1050297964 /nfs/dbraw/zinc/29/79/64/1050297964.db2.gz SZGSJFOZTBCEMJ-IBGZPJMESA-N 1 0 309.384 4.005 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000592391639 1050297641 /nfs/dbraw/zinc/29/76/41/1050297641.db2.gz RXRFRRWJQSPZOU-QGZVFWFLSA-N 1 0 312.413 4.218 20 30 DIEDRO Cc1ccc(Nc2ccc(OC3CC[NH+](C)CC3)cc2)c(C#N)c1 ZINC001210569447 1050298177 /nfs/dbraw/zinc/29/81/77/1050298177.db2.gz LHBCULMSDLWECO-UHFFFAOYSA-N 1 0 321.424 4.083 20 30 DIEDRO CN(CCc1ccccc1F)Cc1c(Cl)cccc1C#N ZINC001143732555 1050343801 /nfs/dbraw/zinc/34/38/01/1050343801.db2.gz RTLBOCWVLVVIIL-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO FC(F)(F)c1ccc(C[NH+]2CCC(S)CC2)c(Cl)c1 ZINC001143711824 1050343980 /nfs/dbraw/zinc/34/39/80/1050343980.db2.gz HURCZOURHGXUGX-UHFFFAOYSA-N 1 0 309.784 4.253 20 30 DIEDRO N#Cc1nc2ccc(NC3=CC[C@H]([NH+]4CCCC4)CC3)cc2s1 ZINC001210713196 1050344539 /nfs/dbraw/zinc/34/45/39/1050344539.db2.gz COYJNUMVGTWOCX-HNNXBMFYSA-N 1 0 324.453 4.112 20 30 DIEDRO CN(CCc1ccc(F)cc1)Cc1c(Cl)cccc1C#N ZINC001143726357 1050345776 /nfs/dbraw/zinc/34/57/76/1050345776.db2.gz NJURJERHAQCDCU-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO N#Cc1cccc(Cl)c1CN1CC[C@@H](c2ccccc2F)C1 ZINC001143726326 1050346512 /nfs/dbraw/zinc/34/65/12/1050346512.db2.gz MLLBIJLIIFQIBJ-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO N#CCCCC[NH2+]C1(c2ccccc2Br)CCC1 ZINC000593040066 1050364704 /nfs/dbraw/zinc/36/47/04/1050364704.db2.gz NVQLZSYIGCSXLY-UHFFFAOYSA-N 1 0 307.235 4.112 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735306406 1050366508 /nfs/dbraw/zinc/36/65/08/1050366508.db2.gz NBXWULQJJAYILX-CQSZACIVSA-N 1 0 314.816 4.435 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000574082064 1050368574 /nfs/dbraw/zinc/36/85/74/1050368574.db2.gz OTCPDTXXRBZCDJ-ZENOOKHLSA-N 1 0 313.363 4.337 20 30 DIEDRO FC(F)(F)c1ccc(C[NH+]2CCC(S)CC2)cc1Cl ZINC001143810840 1050369848 /nfs/dbraw/zinc/36/98/48/1050369848.db2.gz YCHVNCBRDRUORM-UHFFFAOYSA-N 1 0 309.784 4.253 20 30 DIEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735308749 1050373759 /nfs/dbraw/zinc/37/37/59/1050373759.db2.gz RDLOBBRAPCGCFY-CZUORRHYSA-N 1 0 306.837 4.253 20 30 DIEDRO CC(C)[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CCCC1 ZINC000735310194 1050374018 /nfs/dbraw/zinc/37/40/18/1050374018.db2.gz SSQMORUVGURYEK-UHFFFAOYSA-N 1 0 306.837 4.395 20 30 DIEDRO Cc1c2cccc(C)c2oc1C[N@H+](C)CCCSCC#N ZINC000593087631 1050380381 /nfs/dbraw/zinc/38/03/81/1050380381.db2.gz NBRUOQJERARLAZ-UHFFFAOYSA-N 1 0 302.443 4.128 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000593073004 1050383167 /nfs/dbraw/zinc/38/31/67/1050383167.db2.gz NGKGINWJCPUQAW-UHFFFAOYSA-N 1 0 304.384 4.109 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593126574 1050385036 /nfs/dbraw/zinc/38/50/36/1050385036.db2.gz WNVYECZCGOBESO-FHWLQOOXSA-N 1 0 312.457 4.311 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000735490049 1050396973 /nfs/dbraw/zinc/39/69/73/1050396973.db2.gz ATEOASBGEYKUSV-IAGOWNOFSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000735490062 1050397945 /nfs/dbraw/zinc/39/79/45/1050397945.db2.gz BGUHJHVYLDSQNH-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000735490064 1050400330 /nfs/dbraw/zinc/40/03/30/1050400330.db2.gz BGUHJHVYLDSQNH-SJORKVTESA-N 1 0 322.493 4.064 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CSc3ccccc32)cc1 ZINC000735508643 1050401112 /nfs/dbraw/zinc/40/11/12/1050401112.db2.gz JALVLHHPTVQPNY-SFHVURJKSA-N 1 0 309.434 4.025 20 30 DIEDRO COc1ccc(C[NH2+]C2(c3ccccc3C)CCC2)cc1C#N ZINC000844351267 1050403828 /nfs/dbraw/zinc/40/38/28/1050403828.db2.gz LXCQFHNEYHYXDT-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000785751721 1050408899 /nfs/dbraw/zinc/40/88/99/1050408899.db2.gz GCSIPAGIQVKJCP-JKSUJKDBSA-N 1 0 310.482 4.110 20 30 DIEDRO Cc1c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cccc1C(F)(F)F ZINC001143931141 1050415024 /nfs/dbraw/zinc/41/50/24/1050415024.db2.gz ZWPNXRRYIBGFON-XMQYKBBCSA-N 1 0 308.347 4.280 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844439685 1050425736 /nfs/dbraw/zinc/42/57/36/1050425736.db2.gz JTYFSUVSHDCAFJ-QGZVFWFLSA-N 1 0 304.384 4.109 20 30 DIEDRO CCCCCCCCCCN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000785983637 1050442806 /nfs/dbraw/zinc/44/28/06/1050442806.db2.gz IKUVSLOUGJQSHQ-LJQANCHMSA-N 1 0 324.553 4.312 20 30 DIEDRO C[N@H+](Cc1cncc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC001144073700 1050454279 /nfs/dbraw/zinc/45/42/79/1050454279.db2.gz BTQBOTDVDOALRM-UHFFFAOYSA-N 1 0 313.404 4.175 20 30 DIEDRO N#Cc1cncc(CN2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001144079110 1050460433 /nfs/dbraw/zinc/46/04/33/1050460433.db2.gz BDUVHPJVOVOQEI-ZDUSSCGKSA-N 1 0 303.818 4.005 20 30 DIEDRO COc1ccc(-c2ccc(CC[NH+](C)C)cc2)cc1C1(C#N)CC1 ZINC000593955005 1050463527 /nfs/dbraw/zinc/46/35/27/1050463527.db2.gz WGKKCSIIRXCITP-UHFFFAOYSA-N 1 0 320.436 4.021 20 30 DIEDRO CCCCOc1ccc(C[NH2+]CC#Cc2ccccc2)cc1OC ZINC000736355734 1050468708 /nfs/dbraw/zinc/46/87/08/1050468708.db2.gz WMAXTOADCHAWMM-UHFFFAOYSA-N 1 0 323.436 4.015 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000594009342 1050473295 /nfs/dbraw/zinc/47/32/95/1050473295.db2.gz CVOOGTCLJOMZSS-UJAVWCLSSA-N 1 0 307.235 4.134 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2ccc(C3(C#N)CCCC3)cc2)cc1 ZINC001211130914 1050490190 /nfs/dbraw/zinc/49/01/90/1050490190.db2.gz DQZJCGJEFSZKKA-UHFFFAOYSA-N 1 0 305.425 4.485 20 30 DIEDRO CCCCN(C(=O)CCCCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000594280918 1050490132 /nfs/dbraw/zinc/49/01/32/1050490132.db2.gz QALVDEBWRHZVAB-UHFFFAOYSA-N 1 0 321.509 4.008 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cc(C(F)(F)F)ccc2C#N)c1 ZINC001211138341 1050494079 /nfs/dbraw/zinc/49/40/79/1050494079.db2.gz FGRLFZBHYZLYCZ-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)ccc1OC ZINC000574571667 1050497495 /nfs/dbraw/zinc/49/74/95/1050497495.db2.gz LOPUMUGEIQZDBA-HZPDHXFCSA-N 1 0 307.409 4.020 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC000594496888 1050518704 /nfs/dbraw/zinc/51/87/04/1050518704.db2.gz YSRVAJUYLNQJLP-IBGZPJMESA-N 1 0 308.400 4.404 20 30 DIEDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498521 1050519002 /nfs/dbraw/zinc/51/90/02/1050519002.db2.gz RIHZWMQQFFVQSZ-HKUYNNGSSA-N 1 0 314.473 4.029 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](COC)c1ccc(Cl)cc1)c1ccncc1 ZINC000786826659 1050519327 /nfs/dbraw/zinc/51/93/27/1050519327.db2.gz BSTCSPYNHDKCJM-ROUUACIJSA-N 1 0 316.832 4.330 20 30 DIEDRO CCCCCCCC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786833456 1050520211 /nfs/dbraw/zinc/52/02/11/1050520211.db2.gz IHPNHODYHCCPSA-INIZCTEOSA-N 1 0 317.477 4.227 20 30 DIEDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594500567 1050520555 /nfs/dbraw/zinc/52/05/55/1050520555.db2.gz PFWUHFUYPODPHI-QZTJIDSGSA-N 1 0 314.473 4.171 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)cc1 ZINC000594506575 1050520651 /nfs/dbraw/zinc/52/06/51/1050520651.db2.gz CHMZSMPLIFLBNJ-KRWDZBQOSA-N 1 0 314.498 4.111 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1 ZINC000594500893 1050520803 /nfs/dbraw/zinc/52/08/03/1050520803.db2.gz BIOMHORGDFLCSN-UHFFFAOYSA-N 1 0 319.452 4.051 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)Oc1ccccc1 ZINC000594501332 1050521736 /nfs/dbraw/zinc/52/17/36/1050521736.db2.gz JQBIMVBAIHRKNL-MRXNPFEDSA-N 1 0 308.425 4.045 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC23CCSCC3)cc1 ZINC000594506576 1050521844 /nfs/dbraw/zinc/52/18/44/1050521844.db2.gz CHMZSMPLIFLBNJ-QGZVFWFLSA-N 1 0 314.498 4.111 20 30 DIEDRO Cc1cnc([C@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000594501443 1050521881 /nfs/dbraw/zinc/52/18/81/1050521881.db2.gz WGRNWZUDAKAROK-CYBMUJFWSA-N 1 0 313.470 4.146 20 30 DIEDRO CC(C)(C)c1ccncc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594507752 1050522786 /nfs/dbraw/zinc/52/27/86/1050522786.db2.gz QUMIMAXAFVQZFK-UHFFFAOYSA-N 1 0 321.468 4.470 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CCC(OC(F)F)CC2)cc1 ZINC000594507377 1050523638 /nfs/dbraw/zinc/52/36/38/1050523638.db2.gz LAVYXRUGKIEWED-UHFFFAOYSA-N 1 0 322.399 4.128 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786870980 1050524755 /nfs/dbraw/zinc/52/47/55/1050524755.db2.gz UXVPQNNNAMCVNL-CVEARBPZSA-N 1 0 315.461 4.002 20 30 DIEDRO CC(C)n1cc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594516649 1050528622 /nfs/dbraw/zinc/52/86/22/1050528622.db2.gz SVLSAVYGANNJEN-HNNXBMFYSA-N 1 0 308.429 4.066 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CCC(F)(F)CC1 ZINC000594520107 1050529080 /nfs/dbraw/zinc/52/90/80/1050529080.db2.gz YXSCWVYFPNNWMD-YVEFUNNKSA-N 1 0 304.384 4.349 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc4[nH]ccc4c3)CCC2)cc1 ZINC000594517990 1050529381 /nfs/dbraw/zinc/52/93/81/1050529381.db2.gz FXJAWWLUQOZSJY-UHFFFAOYSA-N 1 0 301.393 4.209 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc4occc4c3)CCC2)cc1 ZINC000594518699 1050529447 /nfs/dbraw/zinc/52/94/47/1050529447.db2.gz JEJQOYPHBILLCN-UHFFFAOYSA-N 1 0 302.377 4.473 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519714 1050529479 /nfs/dbraw/zinc/52/94/79/1050529479.db2.gz XYZACEZJBTWYSZ-TZMCWYRMSA-N 1 0 324.346 4.246 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2csc(Cl)c2)cc1C#N ZINC000786922601 1050529780 /nfs/dbraw/zinc/52/97/80/1050529780.db2.gz KTTQSQLBIJHOJO-JTQLQIEISA-N 1 0 306.818 4.133 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594520394 1050530543 /nfs/dbraw/zinc/53/05/43/1050530543.db2.gz OMBIVSAWJQMGNR-UHFFFAOYSA-N 1 0 318.420 4.292 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000594609178 1050539696 /nfs/dbraw/zinc/53/96/96/1050539696.db2.gz HAIIEAZFVJXSJK-LJQANCHMSA-N 1 0 319.452 4.466 20 30 DIEDRO C=CC[N@H+](Cc1cc(Br)c(F)cc1[O-])C(C)(C)C ZINC001144307584 1050540303 /nfs/dbraw/zinc/54/03/03/1050540303.db2.gz ASPKKBDXEBWDHX-UHFFFAOYSA-N 1 0 316.214 4.080 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(O)c1C ZINC000787036410 1050543297 /nfs/dbraw/zinc/54/32/97/1050543297.db2.gz YXACXOUYSSIDGB-AUUYWEPGSA-N 1 0 306.409 4.219 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(C#N)cc2)cc1Cl ZINC000594708549 1050546869 /nfs/dbraw/zinc/54/68/69/1050546869.db2.gz AUIFXSNCNORJNI-ZDUSSCGKSA-N 1 0 314.816 4.114 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171165175 1050548030 /nfs/dbraw/zinc/54/80/30/1050548030.db2.gz QVLNKJIWVGVMRB-IUODEOHRSA-N 1 0 323.267 4.476 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]CCc1ccc(C2CCCCC2)cc1 ZINC000594709137 1050547959 /nfs/dbraw/zinc/54/79/59/1050547959.db2.gz DWSZOZUTJKNFLU-GOSISDBHSA-N 1 0 309.457 4.310 20 30 DIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc(CC#N)c3F)c2c1 ZINC001171166062 1050548740 /nfs/dbraw/zinc/54/87/40/1050548740.db2.gz BFJXAECSJFQKIA-CQSZACIVSA-N 1 0 321.399 4.034 20 30 DIEDRO COc1ccc([C@H]([NH2+]CCC(C)(C)C#N)c2ccccc2)cc1 ZINC000594715403 1050549011 /nfs/dbraw/zinc/54/90/11/1050549011.db2.gz GYBRIXLWZFWINX-LJQANCHMSA-N 1 0 308.425 4.314 20 30 DIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(F)cc(CC#N)c3)c2c1 ZINC001171168225 1050552728 /nfs/dbraw/zinc/55/27/28/1050552728.db2.gz QALVOHRNRKUNQS-CQSZACIVSA-N 1 0 321.399 4.034 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCOC3CCCCCC3)cc2)CC1 ZINC000594922076 1050562580 /nfs/dbraw/zinc/56/25/80/1050562580.db2.gz IQTREALXEPRSEQ-UHFFFAOYSA-N 1 0 312.457 4.071 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000594918022 1050562789 /nfs/dbraw/zinc/56/27/89/1050562789.db2.gz OPOKLYJAWBDJRD-IBGZPJMESA-N 1 0 306.384 4.158 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594919342 1050563389 /nfs/dbraw/zinc/56/33/89/1050563389.db2.gz XYMAABWWQIFSFV-MRXNPFEDSA-N 1 0 320.436 4.491 20 30 DIEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594921546 1050563654 /nfs/dbraw/zinc/56/36/54/1050563654.db2.gz CKFUFFCRLYKGOC-QRWLVFNGSA-N 1 0 302.421 4.265 20 30 DIEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594916726 1050563780 /nfs/dbraw/zinc/56/37/80/1050563780.db2.gz BECGVQQHGRUHQU-HXUWFJFHSA-N 1 0 302.421 4.327 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001171174796 1050563978 /nfs/dbraw/zinc/56/39/78/1050563978.db2.gz CLACNMRKVAEXSQ-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3(c4ccccc4)CCC3)cc2)CC1 ZINC000594926199 1050564989 /nfs/dbraw/zinc/56/49/89/1050564989.db2.gz NMECLRMPYYPGPE-UHFFFAOYSA-N 1 0 302.421 4.411 20 30 DIEDRO Cc1csc([C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C2CC2)n1 ZINC000594930404 1050566410 /nfs/dbraw/zinc/56/64/10/1050566410.db2.gz VZOFIQCOPKTPLA-KRWDZBQOSA-N 1 0 323.465 4.248 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)CC1 ZINC000594929744 1050566428 /nfs/dbraw/zinc/56/64/28/1050566428.db2.gz XLFQJRJNIDVZFV-FQEVSTJZSA-N 1 0 302.421 4.409 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594925273 1050566781 /nfs/dbraw/zinc/56/67/81/1050566781.db2.gz RKQXRIYWVSPSES-UHFFFAOYSA-N 1 0 318.420 4.096 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1C(F)(F)F ZINC001171175975 1050569165 /nfs/dbraw/zinc/56/91/65/1050569165.db2.gz OFGVZZZWVLMFON-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)cc1Cl ZINC001171179702 1050571729 /nfs/dbraw/zinc/57/17/29/1050571729.db2.gz WSRIZPHQGXAKBV-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO COc1ccc(Cl)cc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594969267 1050574087 /nfs/dbraw/zinc/57/40/87/1050574087.db2.gz VUJWSYFIJDPZNZ-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000594967783 1050574298 /nfs/dbraw/zinc/57/42/98/1050574298.db2.gz HLDBDCGWMJRXRJ-UHFFFAOYSA-N 1 0 317.436 4.384 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000594935970 1050575873 /nfs/dbraw/zinc/57/58/73/1050575873.db2.gz RLCSMTADPWVWGZ-CQSZACIVSA-N 1 0 321.380 4.001 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000594936467 1050575973 /nfs/dbraw/zinc/57/59/73/1050575973.db2.gz CYIANLLYHSLUJA-HXUWFJFHSA-N 1 0 306.409 4.043 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)CC1 ZINC000594936817 1050576396 /nfs/dbraw/zinc/57/63/96/1050576396.db2.gz FAJUBXVDLHHAGV-UHFFFAOYSA-N 1 0 302.421 4.409 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594940151 1050577178 /nfs/dbraw/zinc/57/71/78/1050577178.db2.gz INTLTYGSJMUKHI-UHFFFAOYSA-N 1 0 318.420 4.096 20 30 DIEDRO CSCc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594941585 1050577209 /nfs/dbraw/zinc/57/72/09/1050577209.db2.gz WGZDMMFZPPEYCV-UHFFFAOYSA-N 1 0 322.477 4.395 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCCc4sccc43)cc2)CC1 ZINC000594943705 1050577244 /nfs/dbraw/zinc/57/72/44/1050577244.db2.gz GAQKEVMWVONTOO-KRWDZBQOSA-N 1 0 308.450 4.470 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cc4ccncc4s3)CCC2)cc1 ZINC000594950278 1050577553 /nfs/dbraw/zinc/57/75/53/1050577553.db2.gz JEBJVYGJRGZYFQ-UHFFFAOYSA-N 1 0 319.433 4.337 20 30 DIEDRO COCC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(C)o1 ZINC000594945525 1050578352 /nfs/dbraw/zinc/57/83/52/1050578352.db2.gz ZPJOKTXEYPUPEX-GOSISDBHSA-N 1 0 324.424 4.011 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)ccc1Cl ZINC000594946642 1050579233 /nfs/dbraw/zinc/57/92/33/1050579233.db2.gz RCSSRQWXGADISC-UHFFFAOYSA-N 1 0 310.828 4.493 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001171180555 1050579732 /nfs/dbraw/zinc/57/97/32/1050579732.db2.gz BDIYBPZVTZVBHZ-OLZOCXBDSA-N 1 0 300.352 4.118 20 30 DIEDRO CCOc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000594951406 1050579492 /nfs/dbraw/zinc/57/94/92/1050579492.db2.gz HNYAHHCOOPEIGC-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO CCCOc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000594959071 1050580538 /nfs/dbraw/zinc/58/05/38/1050580538.db2.gz RYOYTUZYPQAHMN-UHFFFAOYSA-N 1 0 320.436 4.434 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc2ccncc2s1 ZINC000594952124 1050580782 /nfs/dbraw/zinc/58/07/82/1050580782.db2.gz WFRRHJQUXBIUPX-SFHVURJKSA-N 1 0 319.433 4.335 20 30 DIEDRO C=CCCSCC[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000594960565 1050581914 /nfs/dbraw/zinc/58/19/14/1050581914.db2.gz TVWZPUWVLXWDPO-UHFFFAOYSA-N 1 0 310.513 4.271 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc3occc3c2)c1 ZINC000594966242 1050583058 /nfs/dbraw/zinc/58/30/58/1050583058.db2.gz DMQQAWSHZXVSJJ-UHFFFAOYSA-N 1 0 320.392 4.405 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H](C)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC001171183666 1050583405 /nfs/dbraw/zinc/58/34/05/1050583405.db2.gz ICKOGCVUFZMTHK-YCRPNKLZSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc2sccc2c1 ZINC001171184491 1050583486 /nfs/dbraw/zinc/58/34/86/1050583486.db2.gz MVJWJMNQVRRNRX-CQSZACIVSA-N 1 0 306.434 4.494 20 30 DIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171186246 1050583551 /nfs/dbraw/zinc/58/35/51/1050583551.db2.gz UOJRELOMNMHICB-ZWKOTPCHSA-N 1 0 322.452 4.163 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCSCc1ccccc1 ZINC001171183509 1050584420 /nfs/dbraw/zinc/58/44/20/1050584420.db2.gz FQOGVUYZTBCSPF-MRXNPFEDSA-N 1 0 310.466 4.012 20 30 DIEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000746676299 1050590067 /nfs/dbraw/zinc/59/00/67/1050590067.db2.gz JUXANXPRPSAFGA-YLJYHZDGSA-N 1 0 320.436 4.042 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001171189431 1050590239 /nfs/dbraw/zinc/59/02/39/1050590239.db2.gz GAZLMYFZTGYLPD-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001171189662 1050591179 /nfs/dbraw/zinc/59/11/79/1050591179.db2.gz IQJAHYFNFYYJPE-TUBUQKNSSA-N 1 0 324.390 4.448 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)c2ccsc2S1 ZINC000595056010 1050592274 /nfs/dbraw/zinc/59/22/74/1050592274.db2.gz OPFVTEDDONPXKC-BLLLJJGKSA-N 1 0 314.479 4.377 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(Br)c(Cl)c1 ZINC000595009163 1050592675 /nfs/dbraw/zinc/59/26/75/1050592675.db2.gz AOZSIBAEFGHQBB-JTQLQIEISA-N 1 0 315.642 4.447 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC001171191956 1050594249 /nfs/dbraw/zinc/59/42/49/1050594249.db2.gz IXOVNMBQLCZNIB-MGPUTAFESA-N 1 0 308.425 4.239 20 30 DIEDRO C=CCCSCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000595060555 1050594519 /nfs/dbraw/zinc/59/45/19/1050594519.db2.gz VNKXAEIJPQQWDA-DLBZAZTESA-N 1 0 304.503 4.315 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000595058642 1050594723 /nfs/dbraw/zinc/59/47/23/1050594723.db2.gz IDSOXVJRYHZLKC-HNNXBMFYSA-N 1 0 315.486 4.047 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000595056799 1050595060 /nfs/dbraw/zinc/59/50/60/1050595060.db2.gz WPAWVVHRISFFCI-UXHICEINSA-N 1 0 319.452 4.120 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccccc2F)CCC1 ZINC001171192772 1050595882 /nfs/dbraw/zinc/59/58/82/1050595882.db2.gz AYTGTVUINAZAPR-HNNXBMFYSA-N 1 0 308.400 4.297 20 30 DIEDRO CSCC1(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000595068884 1050596966 /nfs/dbraw/zinc/59/69/66/1050596966.db2.gz LSOUHWNCKJNZDB-KRWDZBQOSA-N 1 0 300.471 4.059 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000739931345 1050597918 /nfs/dbraw/zinc/59/79/18/1050597918.db2.gz RNYZJGYUKBLRRU-UHFFFAOYSA-N 1 0 320.868 4.108 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000595027866 1050598365 /nfs/dbraw/zinc/59/83/65/1050598365.db2.gz UCXITGDDPXUKJQ-IBGZPJMESA-N 1 0 318.420 4.026 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2cnccc2o1 ZINC000595030617 1050598383 /nfs/dbraw/zinc/59/83/83/1050598383.db2.gz SWGFVXAYYVBTLY-ZDUSSCGKSA-N 1 0 303.365 4.039 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595045560 1050602679 /nfs/dbraw/zinc/60/26/79/1050602679.db2.gz NTGVLBGOICBSBS-YVEFUNNKSA-N 1 0 303.365 4.038 20 30 DIEDRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(CC#N)CC1 ZINC000595047130 1050602808 /nfs/dbraw/zinc/60/28/08/1050602808.db2.gz DOMOMODBMHYAET-OAHLLOKOSA-N 1 0 310.363 4.310 20 30 DIEDRO CC(C)(C)c1cc(Nc2c(C#N)cnn2-c2ccccc2)cc[nH+]1 ZINC001213163074 1050604882 /nfs/dbraw/zinc/60/48/82/1050604882.db2.gz UDMRYEGZBUQEIB-UHFFFAOYSA-N 1 0 317.396 4.180 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC001171197609 1050608353 /nfs/dbraw/zinc/60/83/53/1050608353.db2.gz AVEAWRCQRDHIBR-INIZCTEOSA-N 1 0 322.427 4.241 20 30 DIEDRO N#CC1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCCCC1 ZINC000595091370 1050608955 /nfs/dbraw/zinc/60/89/55/1050608955.db2.gz PWNPEIMOAWOLKP-HKUYNNGSSA-N 1 0 312.457 4.218 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(COC)cs1)c1ccc(C#N)cc1 ZINC000595076067 1050609744 /nfs/dbraw/zinc/60/97/44/1050609744.db2.gz DEIYTAYYJKVWRN-QGZVFWFLSA-N 1 0 300.427 4.007 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000595087098 1050610095 /nfs/dbraw/zinc/61/00/95/1050610095.db2.gz AULUMPZCYVJDLL-RTWAWAEBSA-N 1 0 318.420 4.308 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC001171197730 1050610417 /nfs/dbraw/zinc/61/04/17/1050610417.db2.gz BTTVWBLSRWSONU-QGZVFWFLSA-N 1 0 304.437 4.102 20 30 DIEDRO COCCC[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000595092233 1050611074 /nfs/dbraw/zinc/61/10/74/1050611074.db2.gz ZXYRDRNKBJTQGU-GOSISDBHSA-N 1 0 318.436 4.357 20 30 DIEDRO COc1cccc(C2([NH2+][C@H](C)c3cccc(C#N)c3)CCC2)c1 ZINC000595094300 1050611435 /nfs/dbraw/zinc/61/14/35/1050611435.db2.gz VQYGTZBEERGDQB-OAHLLOKOSA-N 1 0 306.409 4.297 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000595090925 1050611502 /nfs/dbraw/zinc/61/15/02/1050611502.db2.gz KZOIPQMMUNPHMD-KFKAGJAMSA-N 1 0 312.457 4.251 20 30 DIEDRO N#CC1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCCCC1 ZINC000595091373 1050611783 /nfs/dbraw/zinc/61/17/83/1050611783.db2.gz PWNPEIMOAWOLKP-PKOBYXMFSA-N 1 0 312.457 4.218 20 30 DIEDRO COc1cccc(C2([NH2+][C@@H](C)c3cccc(C#N)c3)CCC2)c1 ZINC000595094299 1050611912 /nfs/dbraw/zinc/61/19/12/1050611912.db2.gz VQYGTZBEERGDQB-HNNXBMFYSA-N 1 0 306.409 4.297 20 30 DIEDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C)c1ccc(C#N)cc1 ZINC000595097202 1050614004 /nfs/dbraw/zinc/61/40/04/1050614004.db2.gz SNYUJCZYWWUQLP-HBMCJLEFSA-N 1 0 322.452 4.357 20 30 DIEDRO CC[N@H+](CCc1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295693 1050618226 /nfs/dbraw/zinc/61/82/26/1050618226.db2.gz PJDUGHJXVIRACY-INIZCTEOSA-N 1 0 303.409 4.056 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Sc3ccccc3)CC2)cc1 ZINC001144578490 1050619218 /nfs/dbraw/zinc/61/92/18/1050619218.db2.gz CTLORWQWXGGLGG-UHFFFAOYSA-N 1 0 307.462 4.425 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@H](C)CCCC(C)C)CCC2 ZINC001170077662 1050620521 /nfs/dbraw/zinc/62/05/21/1050620521.db2.gz LTUHIQQNCXBMKK-QGZVFWFLSA-N 1 0 319.493 4.006 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCc2ccc(C#N)cc2)s1 ZINC000595335405 1050620745 /nfs/dbraw/zinc/62/07/45/1050620745.db2.gz WXEWNFSDCVYFKS-CQSZACIVSA-N 1 0 313.470 4.121 20 30 DIEDRO C#Cc1ccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC001144567886 1050621015 /nfs/dbraw/zinc/62/10/15/1050621015.db2.gz DPOUKPVJSDTLOA-UHFFFAOYSA-N 1 0 312.416 4.265 20 30 DIEDRO C#Cc1ccc(C[N@H+](Cc2ccccc2)Cc2ccccn2)cc1 ZINC001144568337 1050621683 /nfs/dbraw/zinc/62/16/83/1050621683.db2.gz RIERQVDYSKMYGO-UHFFFAOYSA-N 1 0 312.416 4.265 20 30 DIEDRO CC[C@H](CC(F)F)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000595304505 1050622252 /nfs/dbraw/zinc/62/22/52/1050622252.db2.gz USNAFEODRBKTTN-CQSZACIVSA-N 1 0 322.399 4.083 20 30 DIEDRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595350268 1050623466 /nfs/dbraw/zinc/62/34/66/1050623466.db2.gz GIMCOCSZKPHRFC-CQSZACIVSA-N 1 0 321.449 4.403 20 30 DIEDRO COc1ccccc1[C@@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C1CC1 ZINC001171200690 1050625827 /nfs/dbraw/zinc/62/58/27/1050625827.db2.gz AJRLIUGZUUYGRP-VFNWGFHPSA-N 1 0 320.436 4.239 20 30 DIEDRO C[NH+](C)CCc1ccc(Nc2cccc(C3(C#N)CC3)c2)cc1 ZINC001213326754 1050630911 /nfs/dbraw/zinc/63/09/11/1050630911.db2.gz HKWSISKAKOBSCU-UHFFFAOYSA-N 1 0 305.425 4.089 20 30 DIEDRO CCCCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000740840778 1050632627 /nfs/dbraw/zinc/63/26/27/1050632627.db2.gz FBSJCJBMOZTGKH-QZTJIDSGSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000740873576 1050634304 /nfs/dbraw/zinc/63/43/04/1050634304.db2.gz MLEOXKQVIZSFRX-KRWDZBQOSA-N 1 0 318.509 4.154 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001171202405 1050635400 /nfs/dbraw/zinc/63/54/00/1050635400.db2.gz ZAEGVUUIRIYUKF-SGTLLEGYSA-N 1 0 312.363 4.045 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000845927014 1050636749 /nfs/dbraw/zinc/63/67/49/1050636749.db2.gz WEXDBVHZIJIRSV-INMHGKMJSA-N 1 0 314.429 4.039 20 30 DIEDRO COc1cccc([C@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)C2CC2)c1 ZINC001171202313 1050637102 /nfs/dbraw/zinc/63/71/02/1050637102.db2.gz YTBKXXKPWHMNRL-QVKFZJNVSA-N 1 0 320.436 4.239 20 30 DIEDRO CCCCCCC[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000740874981 1050637004 /nfs/dbraw/zinc/63/70/04/1050637004.db2.gz VYMIBBYYTGVVJX-UHFFFAOYSA-N 1 0 316.489 4.160 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000595521725 1050640536 /nfs/dbraw/zinc/64/05/36/1050640536.db2.gz JWRZVZUHPTWYIC-HOTGVXAUSA-N 1 0 310.363 4.202 20 30 DIEDRO C[C@H](C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000595622764 1050652805 /nfs/dbraw/zinc/65/28/05/1050652805.db2.gz CNPDAWORSGXIQK-KGLIPLIRSA-N 1 0 310.363 4.435 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000595611287 1050657484 /nfs/dbraw/zinc/65/74/84/1050657484.db2.gz ITZKGQQNSCVXDT-CYBMUJFWSA-N 1 0 315.804 4.121 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)cc1F ZINC000595754096 1050667438 /nfs/dbraw/zinc/66/74/38/1050667438.db2.gz UKQHXIQWLJTLLK-SFHVURJKSA-N 1 0 310.372 4.043 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)C1CCC(F)CC1 ZINC000595818252 1050671382 /nfs/dbraw/zinc/67/13/82/1050671382.db2.gz GNUHMUYZAVRIFZ-UQPPLGOBSA-N 1 0 302.437 4.494 20 30 DIEDRO CC(C)(C)C[N@H+](CCCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000595827244 1050673868 /nfs/dbraw/zinc/67/38/68/1050673868.db2.gz NFVHHKLBDNSZSP-UHFFFAOYSA-N 1 0 310.482 4.006 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1Br ZINC000595846022 1050674221 /nfs/dbraw/zinc/67/42/21/1050674221.db2.gz ZLZYRPQTMVEHMY-GASCZTMLSA-N 1 0 317.230 4.004 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCC[C@H](C3CCCCC3)C2)CCOCC1 ZINC000595876122 1050677116 /nfs/dbraw/zinc/67/71/16/1050677116.db2.gz DGFLRMRIUIIPSX-IBGZPJMESA-N 1 0 318.505 4.379 20 30 DIEDRO C[NH+](C)[C@@H]1CCCC(=NOCc2ccc(C(F)(F)F)cc2)C1 ZINC000788437820 1050678237 /nfs/dbraw/zinc/67/82/37/1050678237.db2.gz VULFGRSPDBBASV-OAHLLOKOSA-N 1 0 314.351 4.082 20 30 DIEDRO C#CC[N@H+](Cc1ccc2scnc2c1)[C@@H]1CCc2ccccc21 ZINC001144739119 1050695018 /nfs/dbraw/zinc/69/50/18/1050695018.db2.gz USMKDGMRSLCMPO-LJQANCHMSA-N 1 0 318.445 4.419 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001171220650 1050710783 /nfs/dbraw/zinc/71/07/83/1050710783.db2.gz DCAZCJCZUSSBPH-UTKZUKDTSA-N 1 0 304.437 4.369 20 30 DIEDRO CCCCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000741592236 1050712540 /nfs/dbraw/zinc/71/25/40/1050712540.db2.gz XVGCXIJCLVZOQZ-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000741592230 1050712569 /nfs/dbraw/zinc/71/25/69/1050712569.db2.gz XVGCXIJCLVZOQZ-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000741585233 1050713437 /nfs/dbraw/zinc/71/34/37/1050713437.db2.gz PAJNCXPJKIGTHK-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO C#CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001171222353 1050714321 /nfs/dbraw/zinc/71/43/21/1050714321.db2.gz GFPAKKSAZJVUFF-VGOFRKELSA-N 1 0 314.432 4.112 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001171224041 1050714341 /nfs/dbraw/zinc/71/43/41/1050714341.db2.gz PAROHSZLFSCNQI-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001171222372 1050714778 /nfs/dbraw/zinc/71/47/78/1050714778.db2.gz GPSFWAMEJOCHMU-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO C=CCCCCCCCCC(=O)N1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001144797688 1050716230 /nfs/dbraw/zinc/71/62/30/1050716230.db2.gz IWIOKAHDALIOCF-KDURUIRLSA-N 1 0 320.521 4.093 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000788621234 1050717563 /nfs/dbraw/zinc/71/75/63/1050717563.db2.gz LEQSGJFDHBMZTN-ACRUOGEOSA-N 1 0 322.452 4.357 20 30 DIEDRO CC[C@H](/[NH+]=C\c1ccc(N(CC)CC)cc1O)c1nccs1 ZINC000737444402 1050729561 /nfs/dbraw/zinc/72/95/61/1050729561.db2.gz QSUQVUISOLQDSG-CCRNYGKSSA-N 1 0 317.458 4.265 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1c1ccccc1 ZINC000741807987 1050742507 /nfs/dbraw/zinc/74/25/07/1050742507.db2.gz OZKKVQIEAXQXQL-LAUBAEHRSA-N 1 0 320.436 4.215 20 30 DIEDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000741793858 1050743498 /nfs/dbraw/zinc/74/34/98/1050743498.db2.gz BZCHSADIFURZIQ-KBPBESRZSA-N 1 0 306.837 4.253 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1c1ccccc1 ZINC000741807988 1050745452 /nfs/dbraw/zinc/74/54/52/1050745452.db2.gz OZKKVQIEAXQXQL-UTKZUKDTSA-N 1 0 320.436 4.215 20 30 DIEDRO Clc1ccc(CSc2nncn2[NH+]=CC2CCCC2)cc1 ZINC000741837977 1050750209 /nfs/dbraw/zinc/75/02/09/1050750209.db2.gz OMGZXQQTWIMIBF-UHFFFAOYSA-N 1 0 320.849 4.248 20 30 DIEDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(O)c1 ZINC000788816842 1050758034 /nfs/dbraw/zinc/75/80/34/1050758034.db2.gz HTBICUZLWYWWOB-CYBMUJFWSA-N 1 0 314.816 4.385 20 30 DIEDRO CCc1cccc(Cl)c1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000788971384 1050767950 /nfs/dbraw/zinc/76/79/50/1050767950.db2.gz ZCLPPRKTSDWOLX-UHFFFAOYSA-N 1 0 314.816 4.072 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000788980969 1050781380 /nfs/dbraw/zinc/78/13/80/1050781380.db2.gz BYUMLKOGPQITFI-YVEFUNNKSA-N 1 0 311.816 4.335 20 30 DIEDRO CCOc1ccc(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000596977913 1050791444 /nfs/dbraw/zinc/79/14/44/1050791444.db2.gz PHYSZQHTXJQSGN-UHFFFAOYSA-N 1 0 320.436 4.272 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958310 1050792419 /nfs/dbraw/zinc/79/24/19/1050792419.db2.gz FCBSMGUVBJSZTL-AUUYWEPGSA-N 1 0 324.449 4.228 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958318 1050793454 /nfs/dbraw/zinc/79/34/54/1050793454.db2.gz FCBSMGUVBJSZTL-KUHUBIRLSA-N 1 0 324.449 4.228 20 30 DIEDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597025838 1050797717 /nfs/dbraw/zinc/79/77/17/1050797717.db2.gz DUHWEMVTFKAROS-OAHLLOKOSA-N 1 0 302.487 4.205 20 30 DIEDRO C[C@@H]([C@H](C)[NH2+]Cc1ccc(OCC#N)cc1)C1CCCCC1 ZINC000772958973 1050806463 /nfs/dbraw/zinc/80/64/63/1050806463.db2.gz JNBNJZSMHOWCQY-HOTGVXAUSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597085177 1050807070 /nfs/dbraw/zinc/80/70/70/1050807070.db2.gz SIPKLNLJGPTFLY-BBRMVZONSA-N 1 0 322.374 4.405 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000772960261 1050807637 /nfs/dbraw/zinc/80/76/37/1050807637.db2.gz OUBIRWHTKKGTAN-JLTOFOAXSA-N 1 0 309.384 4.176 20 30 DIEDRO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088525 1050808777 /nfs/dbraw/zinc/80/87/77/1050808777.db2.gz OZVXAYGDGGJOPY-CZUORRHYSA-N 1 0 322.374 4.405 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)CC2 ZINC000772960221 1050808636 /nfs/dbraw/zinc/80/86/36/1050808636.db2.gz QHKSFPBKIMDFNT-FOIQADDNSA-N 1 0 306.409 4.236 20 30 DIEDRO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597137365 1050812077 /nfs/dbraw/zinc/81/20/77/1050812077.db2.gz GFHJQCRIIODATA-BBRMVZONSA-N 1 0 322.374 4.405 20 30 DIEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000597152960 1050813917 /nfs/dbraw/zinc/81/39/17/1050813917.db2.gz FBPUYUDAGVVCGC-OAHLLOKOSA-N 1 0 322.374 4.406 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1Oc1cccnc1 ZINC000597172505 1050814622 /nfs/dbraw/zinc/81/46/22/1050814622.db2.gz BOMDMPAGIUMXQF-KRWDZBQOSA-N 1 0 321.424 4.308 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000060467847 1050815497 /nfs/dbraw/zinc/81/54/97/1050815497.db2.gz WWGNBHVYFGVIOU-UHFFFAOYSA-N 1 0 303.352 4.476 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477394 1050816922 /nfs/dbraw/zinc/81/69/22/1050816922.db2.gz FSHCZBWYNOIYDK-ZDUSSCGKSA-N 1 0 300.352 4.420 20 30 DIEDRO CC[N@H+](CCOc1ccccc1C#N)[C@H](C)c1ccc(F)cc1 ZINC000060478108 1050817720 /nfs/dbraw/zinc/81/77/20/1050817720.db2.gz RASRVTCAKATXDN-OAHLLOKOSA-N 1 0 312.388 4.159 20 30 DIEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCOc1ccccc1C#N ZINC000060478804 1050818080 /nfs/dbraw/zinc/81/80/80/1050818080.db2.gz DZSCDYOCKCMHEV-CQSZACIVSA-N 1 0 314.816 4.283 20 30 DIEDRO N#CCC1C[NH+](Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000597193580 1050818674 /nfs/dbraw/zinc/81/86/74/1050818674.db2.gz GYCZUJBGTPRSAB-UHFFFAOYSA-N 1 0 315.420 4.035 20 30 DIEDRO CC(C)CCOc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000597174363 1050818764 /nfs/dbraw/zinc/81/87/64/1050818764.db2.gz PKMIIHZXJPLQSC-QGZVFWFLSA-N 1 0 300.446 4.237 20 30 DIEDRO C=Cc1cccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171276868 1050820256 /nfs/dbraw/zinc/82/02/56/1050820256.db2.gz JKCPMILCJWTKQC-UHFFFAOYSA-N 1 0 317.436 4.300 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000742368066 1050821496 /nfs/dbraw/zinc/82/14/96/1050821496.db2.gz ZIQVRWNWVQVOPW-UHFFFAOYSA-N 1 0 313.489 4.139 20 30 DIEDRO CCc1oc2ccccc2c1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742380723 1050825192 /nfs/dbraw/zinc/82/51/92/1050825192.db2.gz JGWGVNVBBCQZJH-UHFFFAOYSA-N 1 0 308.356 4.296 20 30 DIEDRO C#CCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000742385153 1050826586 /nfs/dbraw/zinc/82/65/86/1050826586.db2.gz WEJWOYOLVHDEJO-UHFFFAOYSA-N 1 0 323.436 4.167 20 30 DIEDRO C#CCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OCC)c1 ZINC000742385021 1050827286 /nfs/dbraw/zinc/82/72/86/1050827286.db2.gz FGCJYXSRGUQHCO-UHFFFAOYSA-N 1 0 309.837 4.031 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1cccc(C#N)c1 ZINC000593320218 1050834167 /nfs/dbraw/zinc/83/41/67/1050834167.db2.gz AWNRPUUTZINRGA-HNAYVOBHSA-N 1 0 305.425 4.026 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)CCCC[NH+](C)C ZINC000789888505 1050889136 /nfs/dbraw/zinc/88/91/36/1050889136.db2.gz IJHCMWXTDUKIEF-UHFFFAOYSA-N 1 0 302.462 4.209 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)Cc2cccs2)c1 ZINC000772982832 1050902312 /nfs/dbraw/zinc/90/23/12/1050902312.db2.gz FOZOOHWQAXTBPZ-GDBMZVCRSA-N 1 0 314.454 4.150 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)Cc2cccs2)c1 ZINC000772982835 1050902577 /nfs/dbraw/zinc/90/25/77/1050902577.db2.gz FOZOOHWQAXTBPZ-ZBFHGGJFSA-N 1 0 314.454 4.150 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)Cc2cccs2)c1 ZINC000772982833 1050902752 /nfs/dbraw/zinc/90/27/52/1050902752.db2.gz FOZOOHWQAXTBPZ-GOEBONIOSA-N 1 0 314.454 4.150 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCCC2(C)C)c1 ZINC000772985477 1050904082 /nfs/dbraw/zinc/90/40/82/1050904082.db2.gz RSXKOSHVLRTUAA-SJLPKXTDSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)Cc2ccccc2C)c1 ZINC000772984200 1050904224 /nfs/dbraw/zinc/90/42/24/1050904224.db2.gz NJDQOGOYIMTUAW-XLIONFOSSA-N 1 0 322.452 4.397 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@H]2CC)ccc1OC ZINC000772986568 1050918426 /nfs/dbraw/zinc/91/84/26/1050918426.db2.gz ORPQETBPPBLZAP-ZACQAIPSSA-N 1 0 316.445 4.044 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)Cc2ccccc2)c1 ZINC000772985069 1050919049 /nfs/dbraw/zinc/91/90/49/1050919049.db2.gz QCEPYDPMSKNJDL-VQTJNVASSA-N 1 0 322.452 4.478 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@@H]2CC)ccc1OC ZINC000772986563 1050919564 /nfs/dbraw/zinc/91/95/64/1050919564.db2.gz ORPQETBPPBLZAP-BBWFWOEESA-N 1 0 316.445 4.044 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000772987904 1050926268 /nfs/dbraw/zinc/92/62/68/1050926268.db2.gz MJQCXOUBNWNSNJ-CQSZACIVSA-N 1 0 311.450 4.100 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000772988993 1050934215 /nfs/dbraw/zinc/93/42/15/1050934215.db2.gz VSSRYUJHZJWKFU-LJQANCHMSA-N 1 0 321.420 4.011 20 30 DIEDRO N#Cc1ccc(F)c(Nc2ccccc2C[NH+]2CCCCC2)c1 ZINC001214598556 1050956025 /nfs/dbraw/zinc/95/60/25/1050956025.db2.gz RVDUYXAIWJZXCB-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=CCCC(C)(C)NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC001148687541 1050963344 /nfs/dbraw/zinc/96/33/44/1050963344.db2.gz JUYMVVPVECYJQA-UHFFFAOYSA-N 1 0 302.462 4.003 20 30 DIEDRO C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000790498080 1050964494 /nfs/dbraw/zinc/96/44/94/1050964494.db2.gz XCTZDEQRDUQJFO-SJORKVTESA-N 1 0 316.445 4.253 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCSC2)cc1 ZINC000790497563 1050965192 /nfs/dbraw/zinc/96/51/92/1050965192.db2.gz NAZRCQMXUHQXSW-ZIAGYGMSSA-N 1 0 311.878 4.222 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)C[C@H](O)c1cccc(Cl)c1 ZINC000743257536 1051002098 /nfs/dbraw/zinc/00/20/98/1051002098.db2.gz HCJFHVQLJGOQKR-INIZCTEOSA-N 1 0 307.846 4.123 20 30 DIEDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC(C)(C)CCC#N)CCCO2 ZINC000348198083 1051005715 /nfs/dbraw/zinc/00/57/15/1051005715.db2.gz NRVSNWPEXZFBNH-QGZVFWFLSA-N 1 0 300.446 4.437 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743261206 1051007985 /nfs/dbraw/zinc/00/79/85/1051007985.db2.gz PXYFIPQZWAXDQB-NRFANRHFSA-N 1 0 322.452 4.121 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000790995370 1051014789 /nfs/dbraw/zinc/01/47/89/1051014789.db2.gz OCIOQTJPTGJXDM-UHFFFAOYSA-N 1 0 305.421 4.256 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000773014791 1051019118 /nfs/dbraw/zinc/01/91/18/1051019118.db2.gz LIWBGDYMZCPNHP-FZMZJTMJSA-N 1 0 302.245 4.361 20 30 DIEDRO C#CCSCC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000773011905 1051020806 /nfs/dbraw/zinc/02/08/06/1051020806.db2.gz YTXIQCHYKMYKSA-LLVKDONJSA-N 1 0 322.524 4.197 20 30 DIEDRO C#CCSCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000773010014 1051021276 /nfs/dbraw/zinc/02/12/76/1051021276.db2.gz FTLGWXPCIVZBNN-ZDUSSCGKSA-N 1 0 316.495 4.136 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[C@@H](O)CC)cc1 ZINC000773014668 1051023159 /nfs/dbraw/zinc/02/31/59/1051023159.db2.gz JSICJQCQHVCWEK-ZBFHGGJFSA-N 1 0 311.853 4.020 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[C@H](O)CC)cc1 ZINC000773014665 1051023354 /nfs/dbraw/zinc/02/33/54/1051023354.db2.gz JSICJQCQHVCWEK-GOEBONIOSA-N 1 0 311.853 4.020 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000773019226 1051026004 /nfs/dbraw/zinc/02/60/04/1051026004.db2.gz XSCQFKZGNCPDHB-ZWKOTPCHSA-N 1 0 317.379 4.295 20 30 DIEDRO Cc1cccc(C[C@H]([NH2+]Cc2cc(C#N)ccc2F)C2CC2)c1 ZINC000773030120 1051030246 /nfs/dbraw/zinc/03/02/46/1051030246.db2.gz KUVBIFGWDSCSSP-FQEVSTJZSA-N 1 0 308.400 4.117 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000773036796 1051031443 /nfs/dbraw/zinc/03/14/43/1051031443.db2.gz NIDYXQVGYUVSHH-QGZVFWFLSA-N 1 0 309.457 4.252 20 30 DIEDRO C#CCCCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000773043464 1051033635 /nfs/dbraw/zinc/03/36/35/1051033635.db2.gz ZKLUDZMDDHKXLQ-HNNXBMFYSA-N 1 0 322.246 4.056 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(F)c2)c1 ZINC000743477676 1051033778 /nfs/dbraw/zinc/03/37/78/1051033778.db2.gz UJNUJNZZQLTUHP-KBXCAEBGSA-N 1 0 312.388 4.357 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]c2c1ccn2C ZINC001171376405 1051044200 /nfs/dbraw/zinc/04/42/00/1051044200.db2.gz VVLQSAKCHQGIIG-AWEZNQCLSA-N 1 0 307.397 4.311 20 30 DIEDRO COc1ccc(Nc2ccccc2C[NH+]2CCCCC2)cc1C#N ZINC001215001230 1051049512 /nfs/dbraw/zinc/04/95/12/1051049512.db2.gz ZQSRYLCVGUBCOV-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cnc3ccsc3c2)cc1C#N ZINC000773078116 1051053265 /nfs/dbraw/zinc/05/32/65/1051053265.db2.gz VBLLFIXZKVETQZ-LBPRGKRZSA-N 1 0 323.421 4.027 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)cc1F ZINC000791570126 1051059177 /nfs/dbraw/zinc/05/91/77/1051059177.db2.gz YSFAWRPJWWUBGH-IBGZPJMESA-N 1 0 317.379 4.077 20 30 DIEDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)s1 ZINC000773085351 1051059441 /nfs/dbraw/zinc/05/94/41/1051059441.db2.gz WROFDCBZNKEZHX-GFCCVEGCSA-N 1 0 300.427 4.042 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000773108481 1051064348 /nfs/dbraw/zinc/06/43/48/1051064348.db2.gz YYBIMRPZWFPTFW-XLIONFOSSA-N 1 0 320.436 4.066 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773106306 1051064508 /nfs/dbraw/zinc/06/45/08/1051064508.db2.gz LKQHTELBIIUTIO-MRXNPFEDSA-N 1 0 320.452 4.059 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000773108479 1051065655 /nfs/dbraw/zinc/06/56/55/1051065655.db2.gz YYBIMRPZWFPTFW-FXAWDEMLSA-N 1 0 320.436 4.066 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)c1ccccc1 ZINC000773116501 1051065695 /nfs/dbraw/zinc/06/56/95/1051065695.db2.gz RVNFHKIDEWBGJN-KXBFYZLASA-N 1 0 310.416 4.307 20 30 DIEDRO C#CC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000773112777 1051066405 /nfs/dbraw/zinc/06/64/05/1051066405.db2.gz AGJBVGHNPQPRHJ-OAQYLSRUSA-N 1 0 304.437 4.010 20 30 DIEDRO C#CC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000773112775 1051067487 /nfs/dbraw/zinc/06/74/87/1051067487.db2.gz AGJBVGHNPQPRHJ-NRFANRHFSA-N 1 0 304.437 4.010 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[NH+]1C2CCCC1CCC2 ZINC000743851483 1051073763 /nfs/dbraw/zinc/07/37/63/1051073763.db2.gz ISUMCENZRRVHGH-UHFFFAOYSA-N 1 0 304.821 4.149 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000743849913 1051075390 /nfs/dbraw/zinc/07/53/90/1051075390.db2.gz AZRDWUSUKGUVHK-BBRMVZONSA-N 1 0 304.821 4.007 20 30 DIEDRO Cc1ccc(C(C)(C)C[N@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000743855212 1051076924 /nfs/dbraw/zinc/07/69/24/1051076924.db2.gz GLCUIXRYTVVREW-UHFFFAOYSA-N 1 0 322.452 4.307 20 30 DIEDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC000743872204 1051084737 /nfs/dbraw/zinc/08/47/37/1051084737.db2.gz QRSIZXCIHXJROS-KXBFYZLASA-N 1 0 324.424 4.464 20 30 DIEDRO C#CCCCCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000773179845 1051096245 /nfs/dbraw/zinc/09/62/45/1051096245.db2.gz BKRDYQTUPZZTSQ-UHFFFAOYSA-N 1 0 323.440 4.069 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC001171478963 1051151770 /nfs/dbraw/zinc/15/17/70/1051151770.db2.gz CXAVHEPWCQUYAC-UHFFFAOYSA-N 1 0 307.478 4.014 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3ccccc3OCC#N)cc2)CC1 ZINC001212600149 1051152453 /nfs/dbraw/zinc/15/24/53/1051152453.db2.gz FMAYFAMTNMSDPI-UHFFFAOYSA-N 1 0 321.424 4.142 20 30 DIEDRO N#CCC[N@H+](C1CCCC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171540931 1051153738 /nfs/dbraw/zinc/15/37/38/1051153738.db2.gz DUAVZYIVCWXZRS-CQSZACIVSA-N 1 0 322.374 4.119 20 30 DIEDRO N#Cc1ccc(CNc2cc[nH+]c(C3(C(F)(F)F)CC3)c2)s1 ZINC001170201628 1051156304 /nfs/dbraw/zinc/15/63/04/1051156304.db2.gz GXYPSCHMDJXSSF-UHFFFAOYSA-N 1 0 323.343 4.221 20 30 DIEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171588942 1051161602 /nfs/dbraw/zinc/16/16/02/1051161602.db2.gz JICIIHRBNMYUHZ-HOTGVXAUSA-N 1 0 324.509 4.356 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001170255876 1051175958 /nfs/dbraw/zinc/17/59/58/1051175958.db2.gz DQJPOMLYYUALOE-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C#C[C@H](C)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171645564 1051181602 /nfs/dbraw/zinc/18/16/02/1051181602.db2.gz RCJPQBVSAKLPIR-YGONEPDPSA-N 1 0 306.247 4.087 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001170277214 1051181879 /nfs/dbraw/zinc/18/18/79/1051181879.db2.gz QXJWEXUVUOVIEK-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO C[N@H+](CCC#N)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171649965 1051183734 /nfs/dbraw/zinc/18/37/34/1051183734.db2.gz JVHQHMMDHLYFCE-UHFFFAOYSA-N 1 0 321.262 4.321 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC001170308308 1051187278 /nfs/dbraw/zinc/18/72/78/1051187278.db2.gz OGXUWDBRPHGRKI-HXUWFJFHSA-N 1 0 301.540 4.360 20 30 DIEDRO N#Cc1ccccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359389 1051188814 /nfs/dbraw/zinc/18/88/14/1051188814.db2.gz VDQBVHBUBKSFRL-UHFFFAOYSA-N 1 0 315.420 4.052 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nccs1 ZINC001170362302 1051191133 /nfs/dbraw/zinc/19/11/33/1051191133.db2.gz VOJJJJIMNNISNQ-MXWWQKGMSA-N 1 0 311.454 4.198 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)nc1 ZINC001170362243 1051191428 /nfs/dbraw/zinc/19/14/28/1051191428.db2.gz RMCGFIBOKMBBKO-FQVISZRSSA-N 1 0 319.452 4.445 20 30 DIEDRO C[C@]1(F)CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@H]1F ZINC001170379166 1051199316 /nfs/dbraw/zinc/19/93/16/1051199316.db2.gz RVYIJYVJSOETSG-IAFLDTSXSA-N 1 0 318.411 4.163 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@H](F)C2)CC1 ZINC001170379431 1051199344 /nfs/dbraw/zinc/19/93/44/1051199344.db2.gz YBNBBDNAFBDVDO-VIQWUECVSA-N 1 0 300.421 4.215 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@H](F)CC2)CC1 ZINC001170379174 1051199500 /nfs/dbraw/zinc/19/95/00/1051199500.db2.gz RYVJODVXHQNJPL-VIQWUECVSA-N 1 0 300.421 4.215 20 30 DIEDRO C[C@H]1C[C@@H](CF)[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379369 1051200000 /nfs/dbraw/zinc/20/00/00/1051200000.db2.gz VVBLTAQBLCATOB-BARLLCKDSA-N 1 0 300.421 4.070 20 30 DIEDRO COCC#CC[NH2+][C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001171799388 1051221609 /nfs/dbraw/zinc/22/16/09/1051221609.db2.gz OPWBBHGQJNOSDD-QZTJIDSGSA-N 1 0 323.436 4.127 20 30 DIEDRO CC(C)C[N@H+](CCO[C@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC000792927706 1051232092 /nfs/dbraw/zinc/23/20/92/1051232092.db2.gz RXIOIKVHHWKXIG-HUUCEWRRSA-N 1 0 308.853 4.288 20 30 DIEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000792976054 1051233456 /nfs/dbraw/zinc/23/34/56/1051233456.db2.gz LOJCGIKATJDFQY-ZWKOTPCHSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CC[N@H+](Cc1cccc(SC(F)(F)F)c1)[C@H](C)COC ZINC001171917056 1051240985 /nfs/dbraw/zinc/24/09/85/1051240985.db2.gz TUDXDMXVCKQVBY-GFCCVEGCSA-N 1 0 319.392 4.321 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(Br)c(C)c1 ZINC001171921743 1051248697 /nfs/dbraw/zinc/24/86/97/1051248697.db2.gz WYFXPHBUCDOMHR-GJZGRUSLSA-N 1 0 323.278 4.377 20 30 DIEDRO C[C@H](N[NH+]=Cc1c(Cl)cccc1N1CCCC1)C(C)(C)C ZINC000793116023 1051250453 /nfs/dbraw/zinc/25/04/53/1051250453.db2.gz QYXSPIVRTASBAP-ZDUSSCGKSA-N 1 0 307.869 4.298 20 30 DIEDRO C[C@@H](N[NH+]=Cc1c(Cl)cccc1N1CCCC1)C(C)(C)C ZINC000793116013 1051250791 /nfs/dbraw/zinc/25/07/91/1051250791.db2.gz QYXSPIVRTASBAP-CYBMUJFWSA-N 1 0 307.869 4.298 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(Br)c(C)c1 ZINC001171921747 1051251321 /nfs/dbraw/zinc/25/13/21/1051251321.db2.gz WYFXPHBUCDOMHR-LSDHHAIUSA-N 1 0 323.278 4.377 20 30 DIEDRO N#Cc1ccc(OCCC[NH2+][C@H]2CCCC23CCCCC3)cc1 ZINC001171929894 1051251611 /nfs/dbraw/zinc/25/16/11/1051251611.db2.gz CIOUAMQXGINQBG-IBGZPJMESA-N 1 0 312.457 4.420 20 30 DIEDRO C#CC1([NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CCCCC1 ZINC001171979636 1051267768 /nfs/dbraw/zinc/26/77/68/1051267768.db2.gz POBPXBMPANEFQG-HXUWFJFHSA-N 1 0 324.512 4.355 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000793308113 1051278515 /nfs/dbraw/zinc/27/85/15/1051278515.db2.gz FJSOCROYCWPQSP-VLIAUNLRSA-N 1 0 324.399 4.284 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)cc1 ZINC000793369112 1051290136 /nfs/dbraw/zinc/29/01/36/1051290136.db2.gz CIQKGVQMGKTURL-RDJZCZTQSA-N 1 0 300.446 4.236 20 30 DIEDRO Cc1coc(Nc2cccc(C[NH+]3CCCCC3)c2F)c1C#N ZINC001215678194 1051295416 /nfs/dbraw/zinc/29/54/16/1051295416.db2.gz XSXNIMNTRYXCOC-UHFFFAOYSA-N 1 0 313.376 4.328 20 30 DIEDRO CC(C)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000745946808 1051295533 /nfs/dbraw/zinc/29/55/33/1051295533.db2.gz KMLZZWXCNMTZKK-CQSZACIVSA-N 1 0 306.837 4.110 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000793528377 1051305304 /nfs/dbraw/zinc/30/53/04/1051305304.db2.gz XNTXNKVUQAYKRS-INIZCTEOSA-N 1 0 308.510 4.138 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000793521144 1051307779 /nfs/dbraw/zinc/30/77/79/1051307779.db2.gz BURXDSPXCQEWCE-HOTGVXAUSA-N 1 0 304.482 4.180 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000793521828 1051307958 /nfs/dbraw/zinc/30/79/58/1051307958.db2.gz YDNJZOWLZBUPQZ-QGZVFWFLSA-N 1 0 302.462 4.357 20 30 DIEDRO N#CCC1(C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001170434368 1051312259 /nfs/dbraw/zinc/31/22/59/1051312259.db2.gz IPUHIEALHZZFNM-UHFFFAOYSA-N 1 0 320.839 4.380 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CCc1nc2c(cccc2F)n1C ZINC000793537804 1051312993 /nfs/dbraw/zinc/31/29/93/1051312993.db2.gz BFZIRWMJWIFROD-HNNXBMFYSA-N 1 0 317.452 4.370 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000793540266 1051313338 /nfs/dbraw/zinc/31/33/38/1051313338.db2.gz LQFCQTUSQWAVIS-HNNXBMFYSA-N 1 0 317.452 4.370 20 30 DIEDRO Cc1ccccc1C[C@H]([NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC000793541141 1051314063 /nfs/dbraw/zinc/31/40/63/1051314063.db2.gz PMIDFSZVVRIYJA-FQEVSTJZSA-N 1 0 308.400 4.117 20 30 DIEDRO CCCCCCCCCCC[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172158047 1051314195 /nfs/dbraw/zinc/31/41/95/1051314195.db2.gz ANWIMTCJWOEDCY-QZTJIDSGSA-N 1 0 308.510 4.260 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000793542516 1051315255 /nfs/dbraw/zinc/31/52/55/1051315255.db2.gz UVBJPWSNOFHWPR-IBGZPJMESA-N 1 0 322.537 4.136 20 30 DIEDRO C=CCCCCC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170434668 1051317327 /nfs/dbraw/zinc/31/73/27/1051317327.db2.gz KZEZABXMNIMMQZ-UHFFFAOYSA-N 1 0 310.482 4.112 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000793549742 1051317793 /nfs/dbraw/zinc/31/77/93/1051317793.db2.gz PZAZQESHYAUKTN-LBPRGKRZSA-N 1 0 303.372 4.054 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000793556221 1051319262 /nfs/dbraw/zinc/31/92/62/1051319262.db2.gz WAUONHGWDOEDQE-MRXNPFEDSA-N 1 0 316.445 4.258 20 30 DIEDRO N#Cc1ccc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)cc1 ZINC001215712004 1051320116 /nfs/dbraw/zinc/32/01/16/1051320116.db2.gz MLHJLDFOEQJXIU-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000793530223 1051321997 /nfs/dbraw/zinc/32/19/97/1051321997.db2.gz DMBGDMLLOXHQMF-PKOBYXMFSA-N 1 0 320.521 4.282 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2ccsc2C#N)c1 ZINC001215723940 1051324144 /nfs/dbraw/zinc/32/41/44/1051324144.db2.gz FIYAJLLKERMUOS-UHFFFAOYSA-N 1 0 303.406 4.344 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2ccc(F)cc2C#N)c1 ZINC001215726256 1051326502 /nfs/dbraw/zinc/32/65/02/1051326502.db2.gz AMOCTUUYNYWCAS-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[N@H+](CCOc1ccccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000065433082 1051331100 /nfs/dbraw/zinc/33/11/00/1051331100.db2.gz FRQJZJKJXCDXEV-QGZVFWFLSA-N 1 0 308.425 4.329 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001172301294 1051331468 /nfs/dbraw/zinc/33/14/68/1051331468.db2.gz MCZBSQYVGKXNKS-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)CCC2 ZINC001172304316 1051333188 /nfs/dbraw/zinc/33/31/88/1051333188.db2.gz JKRVHMXKDHKANZ-HRAATJIYSA-N 1 0 304.437 4.465 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001172303287 1051333217 /nfs/dbraw/zinc/33/32/17/1051333217.db2.gz WPOYWCGSEDGUBY-DJJJIMSYSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCCc2ccccc21 ZINC001172306105 1051334083 /nfs/dbraw/zinc/33/40/83/1051334083.db2.gz WNNVIRBFUBJPCT-OXQOHEQNSA-N 1 0 304.437 4.199 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001172307627 1051335014 /nfs/dbraw/zinc/33/50/14/1051335014.db2.gz PHNVAZFYHFKJDX-GSEWJITGSA-N 1 0 308.469 4.390 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001172307874 1051335351 /nfs/dbraw/zinc/33/53/51/1051335351.db2.gz HGUUIMBDTVTYEC-RCBQFDQVSA-N 1 0 310.363 4.200 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001172307969 1051335560 /nfs/dbraw/zinc/33/55/60/1051335560.db2.gz RSJCQSUNDKPGTM-QRWLVFNGSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H]([NH3+])c1cn([C@@H](C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC001172308442 1051336272 /nfs/dbraw/zinc/33/62/72/1051336272.db2.gz KKMBNZSYZZKGMQ-LSDHHAIUSA-N 1 0 303.409 4.336 20 30 DIEDRO CC[N@H+](CCc1ccc(OC)cc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312978 1051337820 /nfs/dbraw/zinc/33/78/20/1051337820.db2.gz NCIHMTPOSQOYFQ-KRWDZBQOSA-N 1 0 322.452 4.062 20 30 DIEDRO CC(C)c1nc(C[N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172318812 1051339108 /nfs/dbraw/zinc/33/91/08/1051339108.db2.gz JGBOESFNQDNHSE-AWEZNQCLSA-N 1 0 313.470 4.201 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001172317434 1051339657 /nfs/dbraw/zinc/33/96/57/1051339657.db2.gz RHBLKPADQZGKME-KKSFZXQISA-N 1 0 322.427 4.335 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2cc(F)c(F)c(C#N)c2)cc1 ZINC001215746747 1051340182 /nfs/dbraw/zinc/34/01/82/1051340182.db2.gz PYTAHHAVXZUSIS-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO COc1cc(C#N)cc(Nc2ccc(C[NH2+]CC(C)C)cc2)c1 ZINC001215746427 1051341066 /nfs/dbraw/zinc/34/10/66/1051341066.db2.gz KPSFRNQUHIMFEN-UHFFFAOYSA-N 1 0 309.413 4.056 20 30 DIEDRO CC[C@H](C)OCC[C@@H](C)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001172321588 1051342259 /nfs/dbraw/zinc/34/22/59/1051342259.db2.gz LYNAWMAIYSZSCK-NEPJUHHUSA-N 1 0 316.367 4.004 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172289784 1051347257 /nfs/dbraw/zinc/34/72/57/1051347257.db2.gz HSFIKVYTDSEYPA-LSDHHAIUSA-N 1 0 303.409 4.336 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)Cc1ccc(F)cc1 ZINC001172290594 1051347752 /nfs/dbraw/zinc/34/77/52/1051347752.db2.gz QTOJFTOLWIJLCM-OAHLLOKOSA-N 1 0 310.416 4.239 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)cc1Cl ZINC001172289715 1051347860 /nfs/dbraw/zinc/34/78/60/1051347860.db2.gz GPAGJLGQLYPXFB-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC001172291305 1051348069 /nfs/dbraw/zinc/34/80/69/1051348069.db2.gz XHAKYVIFKBJZOP-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO Cc1c(CC[NH3+])c2ccccc2n1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172290162 1051348086 /nfs/dbraw/zinc/34/80/86/1051348086.db2.gz MYAQBYKEGJAOEN-HNNXBMFYSA-N 1 0 317.436 4.126 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCc1ccc(Cl)cc1 ZINC001172290248 1051348150 /nfs/dbraw/zinc/34/81/50/1051348150.db2.gz NRZRKABCMXTLBV-HNNXBMFYSA-N 1 0 312.844 4.365 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1csc2ccccc12 ZINC001172295655 1051349980 /nfs/dbraw/zinc/34/99/80/1051349980.db2.gz CUVYYBFCYHPTFD-AWEZNQCLSA-N 1 0 306.434 4.494 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC001172295610 1051350086 /nfs/dbraw/zinc/35/00/86/1051350086.db2.gz CBNAZLOFBMZPBB-VBKZILBWSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC001172297128 1051351051 /nfs/dbraw/zinc/35/10/51/1051351051.db2.gz BEMVAWBFCSDFHW-MRXNPFEDSA-N 1 0 322.452 4.456 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172297662 1051351278 /nfs/dbraw/zinc/35/12/78/1051351278.db2.gz QSJCTMZWAJLNIM-IRXDYDNUSA-N 1 0 320.436 4.405 20 30 DIEDRO COc1cccc(C(C)(C)[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172299140 1051351392 /nfs/dbraw/zinc/35/13/92/1051351392.db2.gz JQCMJEMXSVNUKB-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO COc1cccc(CC(C)(C)[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172299661 1051351521 /nfs/dbraw/zinc/35/15/21/1051351521.db2.gz MKHHIUBMLVCKOD-MRXNPFEDSA-N 1 0 322.452 4.109 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)Cc1cccc(F)c1 ZINC001172299425 1051351558 /nfs/dbraw/zinc/35/15/58/1051351558.db2.gz KKZDTHUGDOTRPP-HNNXBMFYSA-N 1 0 310.416 4.239 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]CCC(=O)NCc1ccco1 ZINC001172346577 1051364621 /nfs/dbraw/zinc/36/46/21/1051364621.db2.gz JVTGBQGBIGVLJZ-MRXNPFEDSA-N 1 0 308.466 4.015 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001172344839 1051365157 /nfs/dbraw/zinc/36/51/57/1051365157.db2.gz VEFHUPPVFFVVDL-IKGGRYGDSA-N 1 0 305.462 4.496 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001172352141 1051368397 /nfs/dbraw/zinc/36/83/97/1051368397.db2.gz ZCAOHSIAFPJIHI-IAGOWNOFSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC001172356030 1051372100 /nfs/dbraw/zinc/37/21/00/1051372100.db2.gz GDMUHDKALPRFKV-ROUUACIJSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(NC(=O)OCC)CC1 ZINC001172357061 1051373115 /nfs/dbraw/zinc/37/31/15/1051373115.db2.gz AUXXEDVITHSZGL-QGZVFWFLSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(OC(=O)NCC)CC1 ZINC001172362446 1051374236 /nfs/dbraw/zinc/37/42/36/1051374236.db2.gz YKFYLZHHJAQUDL-INIZCTEOSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172362111 1051374828 /nfs/dbraw/zinc/37/48/28/1051374828.db2.gz SNAONYMLODRANX-FGTMMUONSA-N 1 0 308.510 4.068 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC001172370036 1051378776 /nfs/dbraw/zinc/37/87/76/1051378776.db2.gz UIHDYCPHMXWUSL-XUJVJEKNSA-N 1 0 310.363 4.491 20 30 DIEDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000766350677 1051397485 /nfs/dbraw/zinc/39/74/85/1051397485.db2.gz NXEIXCROLZISEY-HOTGVXAUSA-N 1 0 307.441 4.426 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC001172475849 1051402193 /nfs/dbraw/zinc/40/21/93/1051402193.db2.gz CYGJHSWOAZRRTE-WBMJQRKESA-N 1 0 321.262 4.498 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001172477983 1051401484 /nfs/dbraw/zinc/40/14/84/1051401484.db2.gz AOQLONHWKNPBMI-YJBOKZPZSA-N 1 0 319.880 4.149 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCCC#N)c1ccc(Br)s1 ZINC001172481199 1051404013 /nfs/dbraw/zinc/40/40/13/1051404013.db2.gz QMXJBIUVCWRCPP-VHSXEESVSA-N 1 0 301.253 4.244 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC001172483467 1051404545 /nfs/dbraw/zinc/40/45/45/1051404545.db2.gz QHIWXXYFLFBRBH-QGZVFWFLSA-N 1 0 308.425 4.438 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC001172483466 1051404690 /nfs/dbraw/zinc/40/46/90/1051404690.db2.gz QHIWXXYFLFBRBH-KRWDZBQOSA-N 1 0 308.425 4.438 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCc2c1cccc2Br ZINC001172485141 1051404735 /nfs/dbraw/zinc/40/47/35/1051404735.db2.gz MJYGFRSPZHXIHE-IAQYHMDHSA-N 1 0 307.235 4.108 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC001172485745 1051404792 /nfs/dbraw/zinc/40/47/92/1051404792.db2.gz UIBAPHZOSHWFDI-CYBMUJFWSA-N 1 0 321.262 4.153 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](c1ccc(C(F)(F)F)cn1)C1CC1 ZINC001172486463 1051404822 /nfs/dbraw/zinc/40/48/22/1051404822.db2.gz FCHNLLUBWZVMNK-ABAIWWIYSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@H](CCCC#N)NC(=[NH2+])c1cc(C(F)(F)F)ccc1Cl ZINC001172486793 1051405589 /nfs/dbraw/zinc/40/55/89/1051405589.db2.gz HIWRBOWUJABNBF-SECBINFHSA-N 1 0 317.742 4.356 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(Cc2ccc(Cl)cc2)CCOCC1 ZINC001172486852 1051406152 /nfs/dbraw/zinc/40/61/52/1051406152.db2.gz HUCQSBFHXHSSJN-OAHLLOKOSA-N 1 0 320.864 4.104 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001172487076 1051406291 /nfs/dbraw/zinc/40/62/91/1051406291.db2.gz JJPQPFPVXVDDLM-FZMZJTMJSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(c2ccccc2Cl)CCOCC1 ZINC001172487791 1051416161 /nfs/dbraw/zinc/41/61/61/1051416161.db2.gz NNBCOSMVJDYSMT-AWEZNQCLSA-N 1 0 306.837 4.018 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC001172506696 1051424640 /nfs/dbraw/zinc/42/46/40/1051424640.db2.gz ZMPMQCDFVLEGES-QWHCGFSZSA-N 1 0 321.262 4.278 20 30 DIEDRO COc1ccccc1CC1(C[NH2+][C@@H](C)CCCC#N)CCC1 ZINC001172491218 1051418266 /nfs/dbraw/zinc/41/82/66/1051418266.db2.gz FFCCZUUVMDQHPF-INIZCTEOSA-N 1 0 300.446 4.080 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172501778 1051420419 /nfs/dbraw/zinc/42/04/19/1051420419.db2.gz JZCPYQZRZYQJBD-IPMKNSEASA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001172501356 1051420504 /nfs/dbraw/zinc/42/05/04/1051420504.db2.gz BZSXNTSIDNEJBR-MRXNPFEDSA-N 1 0 317.539 4.073 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CC1)OC(C)(C)c1ccccc12 ZINC001172500673 1051420544 /nfs/dbraw/zinc/42/05/44/1051420544.db2.gz OBQJCZRBAQKNTD-INIZCTEOSA-N 1 0 312.457 4.325 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1ccccc1C(N)=O ZINC001172502133 1051420951 /nfs/dbraw/zinc/42/09/51/1051420951.db2.gz OJBDZJFRAXFJQR-KRWDZBQOSA-N 1 0 304.478 4.404 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1cn(CCOC)cn1 ZINC001172502563 1051421933 /nfs/dbraw/zinc/42/19/33/1051421933.db2.gz JRHWGNGNBKAZBJ-QGZVFWFLSA-N 1 0 309.498 4.148 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001172503581 1051422317 /nfs/dbraw/zinc/42/23/17/1051422317.db2.gz AZJCKSFDVQNIOX-QAPCUYQASA-N 1 0 320.864 4.403 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001172505061 1051422721 /nfs/dbraw/zinc/42/27/21/1051422721.db2.gz JGOODNIHTCPEPG-IEBWSBKVSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001172504930 1051422970 /nfs/dbraw/zinc/42/29/70/1051422970.db2.gz JAABQRASOLLGFM-QZTJIDSGSA-N 1 0 321.509 4.153 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001172504537 1051423116 /nfs/dbraw/zinc/42/31/16/1051423116.db2.gz FZGAFQNCZYGLDY-ROUUACIJSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(c2ncccn2)C1 ZINC001172503069 1051423237 /nfs/dbraw/zinc/42/32/37/1051423237.db2.gz ONIQLSONDIYMAM-ZWKOTPCHSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001172505062 1051423983 /nfs/dbraw/zinc/42/39/83/1051423983.db2.gz JGOODNIHTCPEPG-MJGOQNOKSA-N 1 0 308.510 4.118 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001172506719 1051424071 /nfs/dbraw/zinc/42/40/71/1051424071.db2.gz ZVVRJJNJFIQLIY-KXBFYZLASA-N 1 0 300.421 4.188 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001172508117 1051424428 /nfs/dbraw/zinc/42/44/28/1051424428.db2.gz GLOPRTIJJIBRBE-QZTJIDSGSA-N 1 0 311.510 4.131 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC001172506694 1051424981 /nfs/dbraw/zinc/42/49/81/1051424981.db2.gz ZMPMQCDFVLEGES-CHWSQXEVSA-N 1 0 321.262 4.278 20 30 DIEDRO CCCCCCCC[C@@H](CC)n1cc(C(=O)OCC)c(C[NH3+])n1 ZINC001172505633 1051425093 /nfs/dbraw/zinc/42/50/93/1051425093.db2.gz QUIRESQKKCQPLM-OAHLLOKOSA-N 1 0 323.481 4.220 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]C1CCN(CCOC)CC1 ZINC001172508170 1051425352 /nfs/dbraw/zinc/42/53/52/1051425352.db2.gz GTBXYXBLZZVSME-SFHVURJKSA-N 1 0 312.542 4.216 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001172509456 1051426153 /nfs/dbraw/zinc/42/61/53/1051426153.db2.gz WZKWEBDQLAYBLQ-XHSDSOJGSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC(n2cnnc2)CC1 ZINC001172510733 1051426215 /nfs/dbraw/zinc/42/62/15/1051426215.db2.gz IIBURVYREVZBFK-KRWDZBQOSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001172509591 1051426330 /nfs/dbraw/zinc/42/63/30/1051426330.db2.gz ZRMIKPKKZPVBBP-ZWKOTPCHSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CCC)n1cc(C(=O)OCC)c(C[NH3+])n1 ZINC001172509445 1051426545 /nfs/dbraw/zinc/42/65/45/1051426545.db2.gz WUPRCPRCAQAUQR-HNNXBMFYSA-N 1 0 323.481 4.220 20 30 DIEDRO COc1cccc(C[C@H]2CCC[N@@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172508836 1051426797 /nfs/dbraw/zinc/42/67/97/1051426797.db2.gz HQNLLWUEYQRRQV-SJLPKXTDSA-N 1 0 300.446 4.032 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)cc1 ZINC000766490008 1051430612 /nfs/dbraw/zinc/43/06/12/1051430612.db2.gz DJYZRXMNDGQTTQ-FQEVSTJZSA-N 1 0 309.384 4.005 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000766490010 1051430681 /nfs/dbraw/zinc/43/06/81/1051430681.db2.gz DJYZRXMNDGQTTQ-HXUWFJFHSA-N 1 0 309.384 4.005 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001168798818 1051439892 /nfs/dbraw/zinc/43/98/92/1051439892.db2.gz ITYIWTWWUHUNAN-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561742 1051443024 /nfs/dbraw/zinc/44/30/24/1051443024.db2.gz YRVMFYVDYLADJO-HGHGUNKESA-N 1 0 302.421 4.471 20 30 DIEDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCC(C#N)CC1 ZINC001172570169 1051447283 /nfs/dbraw/zinc/44/72/83/1051447283.db2.gz HXXCWWLSFJJXHQ-NSHDSACASA-N 1 0 312.791 4.175 20 30 DIEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170457590 1051470019 /nfs/dbraw/zinc/47/00/19/1051470019.db2.gz CSEABQHUDUKWOY-PHZGNYQRSA-N 1 0 310.482 4.109 20 30 DIEDRO C=CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172626227 1051476160 /nfs/dbraw/zinc/47/61/60/1051476160.db2.gz JVVKJLFKWYVHBE-HOTGVXAUSA-N 1 0 310.482 4.110 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001168957871 1051478860 /nfs/dbraw/zinc/47/88/60/1051478860.db2.gz JPJSNBBMLMOWLK-LJQANCHMSA-N 1 0 306.409 4.294 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000766560283 1051481587 /nfs/dbraw/zinc/48/15/87/1051481587.db2.gz MXVNQRRQYHZZNS-PBHICJAKSA-N 1 0 309.837 4.038 20 30 DIEDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001169013510 1051486996 /nfs/dbraw/zinc/48/69/96/1051486996.db2.gz GSLHDHWYFYRHBX-HXUWFJFHSA-N 1 0 320.436 4.164 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3Cc4ccc(Cl)cc4C3)(CC1)CC2 ZINC001172710917 1051493868 /nfs/dbraw/zinc/49/38/68/1051493868.db2.gz RJHGGBGVUUHEPF-WWDZGPRUSA-N 1 0 300.833 4.013 20 30 DIEDRO CC1(C)C[C@@H](Nc2ncc(C#N)c3ccccc32)C[C@@](C)(C[NH3+])C1 ZINC001169138903 1051529335 /nfs/dbraw/zinc/52/93/35/1051529335.db2.gz WFVVWFJZMSEXJI-FOIQADDNSA-N 1 0 322.456 4.062 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1csc(C#N)c1 ZINC001172843951 1051532950 /nfs/dbraw/zinc/53/29/50/1051532950.db2.gz ABHNSHGZUGKTBU-SNVBAGLBSA-N 1 0 308.809 4.133 20 30 DIEDRO CC1(C)C[C@@H](Nc2cc(Cl)ccc2CC#N)C[C@](C)(C[NH3+])C1 ZINC001169144835 1051535089 /nfs/dbraw/zinc/53/50/89/1051535089.db2.gz AKTALSORGRBOES-QAPCUYQASA-N 1 0 319.880 4.362 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccccc1C#N ZINC001172847093 1051535715 /nfs/dbraw/zinc/53/57/15/1051535715.db2.gz ZNJQEYGMAPBQHT-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C=CC[C@H](C)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC001169154800 1051536793 /nfs/dbraw/zinc/53/67/93/1051536793.db2.gz YZEQJNAQCXNMEK-ZDUSSCGKSA-N 1 0 324.262 4.257 20 30 DIEDRO CC1(C)C[C@H](Nc2ccc3nc(C#N)ccc3c2)C[C@@](C)(C[NH3+])C1 ZINC001169153311 1051536961 /nfs/dbraw/zinc/53/69/61/1051536961.db2.gz RYJMCQBBMGEPOS-FXAWDEMLSA-N 1 0 322.456 4.062 20 30 DIEDRO CC1(C)C[C@@H](Nc2ccc3c(ccnc3C#N)c2)C[C@](C)(C[NH3+])C1 ZINC001169153989 1051537089 /nfs/dbraw/zinc/53/70/89/1051537089.db2.gz VJKSLIOORXDUBT-UZLBHIALSA-N 1 0 322.456 4.062 20 30 DIEDRO Cc1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc1C#N ZINC001212690424 1051550554 /nfs/dbraw/zinc/55/05/54/1051550554.db2.gz JOQQHDFBPIGKNZ-UHFFFAOYSA-N 1 0 305.425 4.420 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OCCC)cc2)CC1 ZINC000177917533 1051555214 /nfs/dbraw/zinc/55/52/14/1051555214.db2.gz OHPVQFUSHMRGBI-QGZVFWFLSA-N 1 0 316.489 4.167 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]Cc1cc(C#N)co1 ZINC001172873352 1051559172 /nfs/dbraw/zinc/55/91/72/1051559172.db2.gz LIWVECDPZIMMPJ-NSHDSACASA-N 1 0 306.818 4.075 20 30 DIEDRO CC[N@H+](CCCOc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1C ZINC001169285901 1051572244 /nfs/dbraw/zinc/57/22/44/1051572244.db2.gz ZQLIXJTWNFEADT-LPHOPBHVSA-N 1 0 300.446 4.228 20 30 DIEDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178510125 1051577458 /nfs/dbraw/zinc/57/74/58/1051577458.db2.gz HNVJUSOPDZXAIT-LJQANCHMSA-N 1 0 307.441 4.163 20 30 DIEDRO COc1cc(C#N)cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1 ZINC001212691659 1051577831 /nfs/dbraw/zinc/57/78/31/1051577831.db2.gz XXISHHCBGPNOHY-UHFFFAOYSA-N 1 0 321.424 4.120 20 30 DIEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCCCC#N ZINC000178644777 1051579297 /nfs/dbraw/zinc/57/92/97/1051579297.db2.gz PHFNMZAGSMRQQU-MRXNPFEDSA-N 1 0 323.278 4.444 20 30 DIEDRO C[Si](C)(C)C#C[NH2+][C@H]1CCc2c1cccc2OC(F)(F)F ZINC001169360162 1051587962 /nfs/dbraw/zinc/58/79/62/1051587962.db2.gz UOAPZQSASRKCQV-ZDUSSCGKSA-N 1 0 313.395 4.000 20 30 DIEDRO Cc1ccc([NH+]=C(NO)c2ccccc2N)cc1-c1ccccc1 ZINC001216147719 1051601157 /nfs/dbraw/zinc/60/11/57/1051601157.db2.gz HNQLDJUFPOBTQD-UHFFFAOYSA-N 1 0 317.392 4.301 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC001169451335 1051616989 /nfs/dbraw/zinc/61/69/89/1051616989.db2.gz HPKDYWBOYYBVIM-MSOLQXFVSA-N 1 0 309.494 4.197 20 30 DIEDRO N#Cc1csc(C[NH2+]C2CCC(Oc3ccccc3)CC2)c1 ZINC001173201823 1051630396 /nfs/dbraw/zinc/63/03/96/1051630396.db2.gz HNKWVKYFBVHBJE-UHFFFAOYSA-N 1 0 312.438 4.100 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(Oc3ccccc3)CC2)s1 ZINC001173201232 1051630795 /nfs/dbraw/zinc/63/07/95/1051630795.db2.gz VCGFTWUIZGDUKE-UHFFFAOYSA-N 1 0 312.438 4.100 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2CCC(Oc3ccccc3)CC2)cc1 ZINC001173200550 1051631156 /nfs/dbraw/zinc/63/11/56/1051631156.db2.gz OUIGLTZBDFLQSR-UHFFFAOYSA-N 1 0 305.421 4.148 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(C#N)cc2C(F)(F)F)c1F ZINC001216222548 1051631441 /nfs/dbraw/zinc/63/14/41/1051631441.db2.gz JSQQKYADXPNMPS-UHFFFAOYSA-N 1 0 323.293 4.179 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2c(Cl)cc(C#N)cc2Cl)c1F ZINC001216222511 1051631887 /nfs/dbraw/zinc/63/18/87/1051631887.db2.gz HJEWWAAPTVZRCV-UHFFFAOYSA-N 1 0 324.186 4.467 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2c(F)cc(C#N)cc2Cl)c1F ZINC001216233128 1051641718 /nfs/dbraw/zinc/64/17/18/1051641718.db2.gz VRUDEYQBGRPMBI-UHFFFAOYSA-N 1 0 321.758 4.295 20 30 DIEDRO N#Cc1cccc(C[NH+](Cc2cccc(C#N)c2)CC2CCC2)c1 ZINC000031474205 1051647212 /nfs/dbraw/zinc/64/72/12/1051647212.db2.gz XUYTYVQSFGQIJN-UHFFFAOYSA-N 1 0 315.420 4.232 20 30 DIEDRO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH+]1CC(CC#N)C1 ZINC001173212767 1051649055 /nfs/dbraw/zinc/64/90/55/1051649055.db2.gz AMKFFPNSIAQIFG-KRWDZBQOSA-N 1 0 304.437 4.443 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(C#N)c2[nH]ccc21 ZINC001169690949 1051673098 /nfs/dbraw/zinc/67/30/98/1051673098.db2.gz NKNXOOAINUYSLF-KRWDZBQOSA-N 1 0 316.408 4.280 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2c(c1)CC/C2=N/O ZINC001169693067 1051675470 /nfs/dbraw/zinc/67/54/70/1051675470.db2.gz VNHADKWTFIJJTI-HBNHWDEFSA-N 1 0 321.424 4.051 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](C)COc2cc(C)cc(C)c2)CC1 ZINC001173308953 1051682022 /nfs/dbraw/zinc/68/20/22/1051682022.db2.gz QGCUVDLBSSCAEU-LMDPOFIKSA-N 1 0 317.473 4.174 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC001173309697 1051682071 /nfs/dbraw/zinc/68/20/71/1051682071.db2.gz ZTQZEKAOKQOLJX-UHFFFAOYSA-N 1 0 313.363 4.309 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001173310481 1051683553 /nfs/dbraw/zinc/68/35/53/1051683553.db2.gz WCHMLMJEZYSWFD-SFHVURJKSA-N 1 0 306.494 4.394 20 30 DIEDRO C=CCOC1CCC(n2cc(CCC[NH3+])c3ccccc32)CC1 ZINC001173313424 1051683861 /nfs/dbraw/zinc/68/38/61/1051683861.db2.gz WTQQCXJXBHLHMI-UHFFFAOYSA-N 1 0 312.457 4.219 20 30 DIEDRO CCCCCCCC[C@@H](CCC)n1[nH]c(=O)c2c1CC[NH2+]C2 ZINC001173310425 1051684498 /nfs/dbraw/zinc/68/44/98/1051684498.db2.gz VPPGWCMMNWKDKR-OAHLLOKOSA-N 1 0 307.482 4.326 20 30 DIEDRO CC[C@@H]1CC[C@@H]([NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001173282805 1051685747 /nfs/dbraw/zinc/68/57/47/1051685747.db2.gz HPTXRRHLJDCVJG-HZPDHXFCSA-N 1 0 300.421 4.262 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1c1ccc(NC23CCC(C#N)(CC2)CC3)nc1 ZINC001169747820 1051685693 /nfs/dbraw/zinc/68/56/93/1051685693.db2.gz GCUMQUAGVNYJJA-KKXNLOMOSA-N 1 0 324.472 4.267 20 30 DIEDRO C[C@H]1CCCCN1c1cccc(NC23CCC(C#N)(CC2)CC3)[nH+]1 ZINC001169748354 1051685869 /nfs/dbraw/zinc/68/58/69/1051685869.db2.gz WDWTXRKYYRWEEH-DZIBYMRMSA-N 1 0 324.472 4.489 20 30 DIEDRO Cc1cc(C)cc(OC[C@H](C)[NH2+]C2CCC(CC#N)CC2)c1 ZINC001173324325 1051693138 /nfs/dbraw/zinc/69/31/38/1051693138.db2.gz MHKJXLDCRFSTJX-AOCRQIFASA-N 1 0 300.446 4.133 20 30 DIEDRO N#CCC1CCC(n2c3ccccc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001173328552 1051694439 /nfs/dbraw/zinc/69/44/39/1051694439.db2.gz FJSGNDKMMGRSTD-HWOWSKLDSA-N 1 0 307.441 4.102 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001173330251 1051694616 /nfs/dbraw/zinc/69/46/16/1051694616.db2.gz ZUQYHGMBJDITRY-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccccc2-c2cccnc2)CC1 ZINC001173329559 1051695309 /nfs/dbraw/zinc/69/53/09/1051695309.db2.gz HFJLVTNZFNDQNT-UHFFFAOYSA-N 1 0 305.425 4.311 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001173329947 1051695471 /nfs/dbraw/zinc/69/54/71/1051695471.db2.gz PWIDNGYRNIVLHK-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO COC1(c2ccccc2)CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337248 1051696850 /nfs/dbraw/zinc/69/68/50/1051696850.db2.gz CYIGPMXQQHMXMU-UHFFFAOYSA-N 1 0 312.457 4.097 20 30 DIEDRO N#CCC1CCC([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001173334466 1051697099 /nfs/dbraw/zinc/69/70/99/1051697099.db2.gz WYLRNASHNXKKMW-AJUCZRQESA-N 1 0 303.837 4.248 20 30 DIEDRO COc1ccc(CC2(C[NH2+]C3CCC(CC#N)CC3)CC2)cc1 ZINC001173332050 1051697250 /nfs/dbraw/zinc/69/72/50/1051697250.db2.gz HNQXOHFAXPPGKP-UHFFFAOYSA-N 1 0 312.457 4.080 20 30 DIEDRO CC(C)(C[NH2+]C1CCC(CC#N)CC1)Cc1ccc(F)cc1 ZINC001173333441 1051697353 /nfs/dbraw/zinc/69/73/53/1051697353.db2.gz NPNDWLZYVSVISY-UHFFFAOYSA-N 1 0 302.437 4.456 20 30 DIEDRO N#CCC1CCC([NH2+]CC2(Cc3ccccc3F)CC2)CC1 ZINC001173333854 1051697468 /nfs/dbraw/zinc/69/74/68/1051697468.db2.gz RQZQUTCMITUMLQ-UHFFFAOYSA-N 1 0 300.421 4.210 20 30 DIEDRO N#CCC1CCC([NH2+]C2(Cc3cccc(F)c3)CCC2)CC1 ZINC001173334418 1051697531 /nfs/dbraw/zinc/69/75/31/1051697531.db2.gz WNWIOTKFWZYDHG-UHFFFAOYSA-N 1 0 300.421 4.353 20 30 DIEDRO COc1cccc(CCC[N@H+](C)C2CCC(CC#N)CC2)c1 ZINC001173337543 1051697634 /nfs/dbraw/zinc/69/76/34/1051697634.db2.gz NYQYIYBYMQQXIQ-UHFFFAOYSA-N 1 0 300.446 4.032 20 30 DIEDRO N#CCC1CCC([N@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001173338700 1051698519 /nfs/dbraw/zinc/69/85/19/1051698519.db2.gz HMCFSIPZUWXWGK-UHFFFAOYSA-N 1 0 319.246 4.237 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001173339800 1051699192 /nfs/dbraw/zinc/69/91/92/1051699192.db2.gz USTGKFQCRIKIMJ-UHFFFAOYSA-N 1 0 321.468 4.285 20 30 DIEDRO CC(=O)C1(c2ccccc2)CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173338183 1051699298 /nfs/dbraw/zinc/69/92/98/1051699298.db2.gz BCUWOLAFCTWPEF-UHFFFAOYSA-N 1 0 324.468 4.082 20 30 DIEDRO N#CCC1CCC(n2c3ccc(F)cc3c3c2CC[NH2+]C3)CC1 ZINC001173337871 1051699540 /nfs/dbraw/zinc/69/95/40/1051699540.db2.gz UYFUYBREELBCNN-UHFFFAOYSA-N 1 0 311.404 4.071 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC001173314155 1051707795 /nfs/dbraw/zinc/70/77/95/1051707795.db2.gz KJVPCPMXOGFWCD-WTNGLUPJSA-N 1 0 305.849 4.431 20 30 DIEDRO C=CCOC1CCC([NH2+]CCc2ccc(OC(C)C)cc2)CC1 ZINC001173315397 1051708744 /nfs/dbraw/zinc/70/87/44/1051708744.db2.gz MOWGXZMTKDJBET-UHFFFAOYSA-N 1 0 317.473 4.120 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)c2ccc(OC)cc2)CC1 ZINC001173315454 1051709326 /nfs/dbraw/zinc/70/93/26/1051709326.db2.gz NHIXQKIZPAIQLJ-UHFFFAOYSA-N 1 0 303.446 4.034 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)Cc2ccccc2F)CC1 ZINC001173317558 1051710424 /nfs/dbraw/zinc/71/04/24/1051710424.db2.gz FINFDCPKYRLLHL-UHFFFAOYSA-N 1 0 305.437 4.250 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2csc(C(=O)OC)c2)CCCC1(C)C ZINC001169845157 1051710725 /nfs/dbraw/zinc/71/07/25/1051710725.db2.gz SOZMBWMQENENDO-HNNXBMFYSA-N 1 0 307.459 4.101 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@H](O)CCc2ccccc2)CCCC1(C)C ZINC001169843499 1051711114 /nfs/dbraw/zinc/71/11/14/1051711114.db2.gz FKETYCBAIJXPSD-MOPGFXCFSA-N 1 0 301.474 4.047 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(c3cccc(F)c3)CCC2)CC1 ZINC001173316319 1051711485 /nfs/dbraw/zinc/71/14/85/1051711485.db2.gz GDDNEXHIYUABTN-UHFFFAOYSA-N 1 0 303.421 4.308 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001173319897 1051712314 /nfs/dbraw/zinc/71/23/14/1051712314.db2.gz AEEGJWINZIMYMT-AFMYVXGZSA-N 1 0 315.457 4.044 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001173319747 1051712455 /nfs/dbraw/zinc/71/24/55/1051712455.db2.gz ULSXOAZVVSQQGG-OPQOLIRYSA-N 1 0 305.849 4.299 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2cccc(F)c2)C2CC2)CC1 ZINC001173319115 1051712908 /nfs/dbraw/zinc/71/29/08/1051712908.db2.gz YTNPHLNAJKQDAN-CTWPCTMYSA-N 1 0 303.421 4.380 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1 ZINC001173319681 1051713815 /nfs/dbraw/zinc/71/38/15/1051713815.db2.gz RIYHXPZLMLAGQI-UHFFFAOYSA-N 1 0 308.853 4.074 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001169865053 1051721609 /nfs/dbraw/zinc/72/16/09/1051721609.db2.gz XFDBACITBSUHFZ-WFASDCNBSA-N 1 0 300.229 4.067 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173445047 1051727941 /nfs/dbraw/zinc/72/79/41/1051727941.db2.gz OKNSDRFPPPNFHW-JKSUJKDBSA-N 1 0 319.445 4.024 20 30 DIEDRO N#CCC[N@H+]([C@H]1CCCC2(C1)OCCO2)C1CCCCCCC1 ZINC001169949230 1051733992 /nfs/dbraw/zinc/73/39/92/1051733992.db2.gz MIGRDZQEGFMQDG-SFHVURJKSA-N 1 0 320.477 4.001 20 30 DIEDRO C#CCCC[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000766901531 1051734719 /nfs/dbraw/zinc/73/47/19/1051734719.db2.gz ZZCGZTYPEUNDIH-CQSZACIVSA-N 1 0 324.287 4.331 20 30 DIEDRO C[C@@H]1CCC[C@@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC001169953453 1051737198 /nfs/dbraw/zinc/73/71/98/1051737198.db2.gz QUJOQQYQAHNKQH-SJLPKXTDSA-N 1 0 312.457 4.228 20 30 DIEDRO C#CCCC[N@@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000766896621 1051738814 /nfs/dbraw/zinc/73/88/14/1051738814.db2.gz VLGUMZZZKRYUTA-CQSZACIVSA-N 1 0 313.363 4.128 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000806168253 1051744202 /nfs/dbraw/zinc/74/42/02/1051744202.db2.gz ZCWMPUYRUVYCTG-LJQANCHMSA-N 1 0 313.420 4.431 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000806168163 1051744365 /nfs/dbraw/zinc/74/43/65/1051744365.db2.gz VWQLYBXONFQCAV-GOSISDBHSA-N 1 0 316.489 4.310 20 30 DIEDRO CCCCOc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC001173586617 1051753659 /nfs/dbraw/zinc/75/36/59/1051753659.db2.gz WOZMAZSBDXJQCJ-UHFFFAOYSA-N 1 0 300.446 4.428 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(Oc3ccccn3)cc2)CC1 ZINC001173591016 1051754792 /nfs/dbraw/zinc/75/47/92/1051754792.db2.gz HDKNGJBPBOYDCE-UHFFFAOYSA-N 1 0 321.424 4.436 20 30 DIEDRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173590477 1051754973 /nfs/dbraw/zinc/75/49/73/1051754973.db2.gz KCUVICCVQHKKPD-WUJZJPHMSA-N 1 0 322.493 4.195 20 30 DIEDRO CC1(C#N)CCC(n2cc(CC[NH3+])c3ccc(Cl)cc32)CC1 ZINC001173590780 1051755256 /nfs/dbraw/zinc/75/52/56/1051755256.db2.gz BWUSNOAPQGSVME-UHFFFAOYSA-N 1 0 315.848 4.441 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(CC3CCC3)CCOCC2)CC1 ZINC001173591551 1051755501 /nfs/dbraw/zinc/75/55/01/1051755501.db2.gz UKGOJFNUFUNAEM-UHFFFAOYSA-N 1 0 304.478 4.035 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001173592365 1051755587 /nfs/dbraw/zinc/75/55/87/1051755587.db2.gz NDKJBUFNULRVGN-GULBITTBSA-N 1 0 304.821 4.226 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001173590803 1051755648 /nfs/dbraw/zinc/75/56/48/1051755648.db2.gz NRLAWPFOXKIXES-LXPRWKDFSA-N 1 0 302.849 4.259 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001173592362 1051755692 /nfs/dbraw/zinc/75/56/92/1051755692.db2.gz NDKJBUFNULRVGN-GNHJJJEISA-N 1 0 304.821 4.226 20 30 DIEDRO CC1(C#N)CCC(n2cc(C[NH3+])c3cc(Cl)ccc32)CC1 ZINC001173588942 1051756141 /nfs/dbraw/zinc/75/61/41/1051756141.db2.gz ONVRPEMMTRIOMY-UHFFFAOYSA-N 1 0 301.821 4.398 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC3(CCc4ccccc4O3)CC2)CC1 ZINC001173598954 1051757252 /nfs/dbraw/zinc/75/72/52/1051757252.db2.gz XBINIRBNOTXVLB-UHFFFAOYSA-N 1 0 324.468 4.319 20 30 DIEDRO Cc1ccc(O[C@H]2CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)cc1 ZINC001173596110 1051757343 /nfs/dbraw/zinc/75/73/43/1051757343.db2.gz JYQXRUFHJCIHTG-SYYJFZTOSA-N 1 0 312.457 4.311 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001173599260 1051757773 /nfs/dbraw/zinc/75/77/73/1051757773.db2.gz IXKROPQGFVVYAT-UHFFFAOYSA-N 1 0 321.468 4.285 20 30 DIEDRO CC1(C#N)CCC(n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)CC1 ZINC001173596922 1051758694 /nfs/dbraw/zinc/75/86/94/1051758694.db2.gz BJXYHUQVEOUQJI-CMVHYPBASA-N 1 0 322.456 4.496 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000806167593 1051768452 /nfs/dbraw/zinc/76/84/52/1051768452.db2.gz AVVOENGXOCDTSQ-UYAOXDASSA-N 1 0 315.505 4.018 20 30 DIEDRO C=CCCCCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000806167858 1051769444 /nfs/dbraw/zinc/76/94/44/1051769444.db2.gz NDFGITVXWGTHQL-HOTGVXAUSA-N 1 0 320.437 4.001 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2c(C)oc3ccccc32)cc1 ZINC000767194932 1051774241 /nfs/dbraw/zinc/77/42/41/1051774241.db2.gz QQSWLLRHKVFAFZ-UHFFFAOYSA-N 1 0 319.404 4.433 20 30 DIEDRO C#CCCC1(CC[NH2+]C2CCC3(CCc4ccccc43)CC2)N=N1 ZINC001173685570 1051779329 /nfs/dbraw/zinc/77/93/29/1051779329.db2.gz CQKZCWWSQAMANX-UHFFFAOYSA-N 1 0 321.468 4.368 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000185802765 1051784835 /nfs/dbraw/zinc/78/48/35/1051784835.db2.gz AHLOZLLNFIABLZ-MJGOQNOKSA-N 1 0 320.436 4.404 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000185847271 1051785297 /nfs/dbraw/zinc/78/52/97/1051785297.db2.gz QDILZDHAFKSWID-GXFFZTMASA-N 1 0 314.763 4.113 20 30 DIEDRO COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185825037 1051786737 /nfs/dbraw/zinc/78/67/37/1051786737.db2.gz AEIUBURNSOOYFG-YRISNDGFSA-N 1 0 320.436 4.457 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185890662 1051787699 /nfs/dbraw/zinc/78/76/99/1051787699.db2.gz KUARDPTZBDFWJK-FXAWDEMLSA-N 1 0 315.420 4.397 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185894594 1051789010 /nfs/dbraw/zinc/78/90/10/1051789010.db2.gz KJXGEZQNHBNXNU-IPYPFGDCSA-N 1 0 310.363 4.308 20 30 DIEDRO CC(C)CCN(CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186339499 1051809958 /nfs/dbraw/zinc/80/99/58/1051809958.db2.gz OLVWANNPKAUEPO-UHFFFAOYSA-N 1 0 316.445 4.093 20 30 DIEDRO N#Cc1cc(Cl)cc(Nc2c[nH+]cn2Cc2ccccc2)c1 ZINC001216553010 1051814745 /nfs/dbraw/zinc/81/47/45/1051814745.db2.gz BHGYAKSRQAMEGC-UHFFFAOYSA-N 1 0 308.772 4.200 20 30 DIEDRO CCCCCCCC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000767895432 1051860946 /nfs/dbraw/zinc/86/09/46/1051860946.db2.gz PMUPABAXRIZEDV-OAHLLOKOSA-N 1 0 309.416 4.372 20 30 DIEDRO Cc1ccc(OC2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000489803899 1051866531 /nfs/dbraw/zinc/86/65/31/1051866531.db2.gz ALQDLKCDUDDYJS-KRWDZBQOSA-N 1 0 320.436 4.471 20 30 DIEDRO CCCCCCCC(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC001130840273 1051876523 /nfs/dbraw/zinc/87/65/23/1051876523.db2.gz KWFDEKSOFSOHJX-SFHVURJKSA-N 1 0 316.489 4.257 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000768094082 1051879388 /nfs/dbraw/zinc/87/93/88/1051879388.db2.gz TUALKWWGBDGHSH-LJQANCHMSA-N 1 0 306.409 4.124 20 30 DIEDRO CCCC[C@H](C)[N@H+](CCCC)C[C@@H](O)c1ccc(C#N)cc1 ZINC001170520620 1051886326 /nfs/dbraw/zinc/88/63/26/1051886326.db2.gz YGBRTDWPGBYLHS-QFBILLFUSA-N 1 0 302.462 4.272 20 30 DIEDRO CCc1ccc(C[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000768162787 1051890304 /nfs/dbraw/zinc/89/03/04/1051890304.db2.gz ILGBSYNFRPLDKX-MRXNPFEDSA-N 1 0 308.425 4.172 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000768194120 1051902202 /nfs/dbraw/zinc/90/22/02/1051902202.db2.gz ZZTNBFMPGLAJRN-KKSFZXQISA-N 1 0 320.436 4.487 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(OCC)cc1O ZINC000768197039 1051904259 /nfs/dbraw/zinc/90/42/59/1051904259.db2.gz HSXGSVTZNSTIJF-UHFFFAOYSA-N 1 0 303.427 4.041 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494527413 1051911924 /nfs/dbraw/zinc/91/19/24/1051911924.db2.gz NTTQYPCSVHWFDN-AWEZNQCLSA-N 1 0 300.377 4.457 20 30 DIEDRO CCCC[NH+](CCCC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000494533587 1051913542 /nfs/dbraw/zinc/91/35/42/1051913542.db2.gz QOMVZNPWWJTGOE-UHFFFAOYSA-N 1 0 312.417 4.010 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000768274769 1051915185 /nfs/dbraw/zinc/91/51/85/1051915185.db2.gz GBPALFGRWWNOMZ-KSSFIOAISA-N 1 0 311.450 4.488 20 30 DIEDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768335282 1051919344 /nfs/dbraw/zinc/91/93/44/1051919344.db2.gz LDYKUTGQFKNTLT-QGZVFWFLSA-N 1 0 308.425 4.308 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccco1 ZINC000796972792 1051926188 /nfs/dbraw/zinc/92/61/88/1051926188.db2.gz RIWDXGLLWNPSBZ-HZPDHXFCSA-N 1 0 323.795 4.403 20 30 DIEDRO C=CC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1C)C(C)C ZINC000768547758 1051945080 /nfs/dbraw/zinc/94/50/80/1051945080.db2.gz OHQYOTXIAJSFHY-UHFFFAOYSA-N 1 0 301.409 4.025 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)COC2 ZINC000768661982 1051950123 /nfs/dbraw/zinc/95/01/23/1051950123.db2.gz NECBTYZBJQJAKM-UHFFFAOYSA-N 1 0 320.436 4.247 20 30 DIEDRO Clc1ccc(CSc2nncn2[NH+]=CCCC2CC2)cc1 ZINC000807958001 1051956163 /nfs/dbraw/zinc/95/61/63/1051956163.db2.gz GTYLUFDMQZZCRD-UHFFFAOYSA-N 1 0 320.849 4.248 20 30 DIEDRO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769234540 1052010682 /nfs/dbraw/zinc/01/06/82/1052010682.db2.gz UKAKFIJEUIFXHE-MJGOQNOKSA-N 1 0 320.436 4.275 20 30 DIEDRO CCOCCC1(CNC(=[NH2+])Nc2cccc(C(C)C)c2)CCC1 ZINC000153164900 1052021073 /nfs/dbraw/zinc/02/10/73/1052021073.db2.gz IIZWAQYPWBIDJG-UHFFFAOYSA-N 1 0 317.477 4.134 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000769379143 1052035005 /nfs/dbraw/zinc/03/50/05/1052035005.db2.gz JPTJAIAEIDKLRG-WBVHZDCISA-N 1 0 324.399 4.106 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000769428992 1052047496 /nfs/dbraw/zinc/04/74/96/1052047496.db2.gz XWQQBKZDAFXVHL-OAQYLSRUSA-N 1 0 323.484 4.359 20 30 DIEDRO C=CCCCCC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000193541419 1052049081 /nfs/dbraw/zinc/04/90/81/1052049081.db2.gz OTYJJESOVZAIRA-UHFFFAOYSA-N 1 0 315.383 4.285 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000769394735 1052050101 /nfs/dbraw/zinc/05/01/01/1052050101.db2.gz CJFUFZXSIBZOAH-MAUKXSAKSA-N 1 0 324.399 4.106 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CCC(C)(C)CC2)cc1 ZINC000769448477 1052055273 /nfs/dbraw/zinc/05/52/73/1052055273.db2.gz RYZWJODKUPVDBB-OAHLLOKOSA-N 1 0 300.446 4.378 20 30 DIEDRO C=CC[NH2+][C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000670091456 1052056537 /nfs/dbraw/zinc/05/65/37/1052056537.db2.gz MKKARGRLXYCOLW-CVEARBPZSA-N 1 0 310.844 4.169 20 30 DIEDRO C=CC[NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000670091459 1052056880 /nfs/dbraw/zinc/05/68/80/1052056880.db2.gz MKKARGRLXYCOLW-JKSUJKDBSA-N 1 0 310.844 4.169 20 30 DIEDRO CC(C)C[C@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769505714 1052068049 /nfs/dbraw/zinc/06/80/49/1052068049.db2.gz LVEFVJWQDZLQEH-FUHWJXTLSA-N 1 0 300.446 4.236 20 30 DIEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769506265 1052069971 /nfs/dbraw/zinc/06/99/71/1052069971.db2.gz GHCWSMMMHUETDB-JTDSTZFVSA-N 1 0 300.446 4.378 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1cccc(C#N)c1 ZINC000769519165 1052075956 /nfs/dbraw/zinc/07/59/56/1052075956.db2.gz IIZYXJPOJFXXBZ-CQSZACIVSA-N 1 0 322.408 4.054 20 30 DIEDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769536612 1052076842 /nfs/dbraw/zinc/07/68/42/1052076842.db2.gz BXCXUXSQCHUEQT-WMZOPIPTSA-N 1 0 300.446 4.378 20 30 DIEDRO CCc1ccc(N2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000769727077 1052099850 /nfs/dbraw/zinc/09/98/50/1052099850.db2.gz CVQBUOZWMPRLTG-UHFFFAOYSA-N 1 0 313.489 4.091 20 30 DIEDRO Cc1ccc(N2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1C ZINC000769764539 1052101916 /nfs/dbraw/zinc/10/19/16/1052101916.db2.gz ACVBWBUWIFYXQS-UHFFFAOYSA-N 1 0 313.489 4.146 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000769878031 1052126757 /nfs/dbraw/zinc/12/67/57/1052126757.db2.gz ZFUNAAPOOCHLAA-HXUWFJFHSA-N 1 0 318.420 4.050 20 30 DIEDRO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000769952217 1052128491 /nfs/dbraw/zinc/12/84/91/1052128491.db2.gz DLDLHWGABLDLKF-LSDHHAIUSA-N 1 0 324.399 4.236 20 30 DIEDRO C[C@H]1C[NH2+]CCC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217778250 1052139306 /nfs/dbraw/zinc/13/93/06/1052139306.db2.gz KZILYBPCBMXVQB-UVZMZRMNSA-N 1 0 308.425 4.170 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000770006597 1052141650 /nfs/dbraw/zinc/14/16/50/1052141650.db2.gz YNDIRZLFIIXILK-GBIKHYSHSA-N 1 0 311.212 4.099 20 30 DIEDRO CC1(CO[C@H](C#C[Si](C)(C)C)c2ccccc2)CC[NH2+]CC1 ZINC001217832807 1052151373 /nfs/dbraw/zinc/15/13/73/1052151373.db2.gz KLKVFZMDVUZJEP-GOSISDBHSA-N 1 0 315.533 4.015 20 30 DIEDRO C[Si](C)(C)C#C[C@H](OCc1ccccc1C[NH3+])c1ccccc1 ZINC001217830894 1052151621 /nfs/dbraw/zinc/15/16/21/1052151621.db2.gz FFZQDLVLPQNCNO-FQEVSTJZSA-N 1 0 323.512 4.284 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1OC(C)(C)c1ccc(C(C)(C)Cl)cc1 ZINC001217831135 1052151701 /nfs/dbraw/zinc/15/17/01/1052151701.db2.gz DGKCIMUQGJHREL-INIZCTEOSA-N 1 0 307.865 4.330 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1OCc1c2ccccc2cc2ccccc21 ZINC001217832681 1052151870 /nfs/dbraw/zinc/15/18/70/1052151870.db2.gz UBGCVUOVFOOZBA-OAQYLSRUSA-N 1 0 303.405 4.428 20 30 DIEDRO c1ccc(/N=C(/OC2CC3(C2)CCC[NH2+]C3)c2ccccc2)cc1 ZINC001217847975 1052154854 /nfs/dbraw/zinc/15/48/54/1052154854.db2.gz IMRIAXASPFTMTO-BSYVCWPDSA-N 1 0 320.436 4.314 20 30 DIEDRO CC1(C)C[NH2+]CC[C@H]1OCc1ccc(-c2ccccc2C#N)cc1 ZINC001217878181 1052161604 /nfs/dbraw/zinc/16/16/04/1052161604.db2.gz SZHGHJATLJUHJC-HXUWFJFHSA-N 1 0 320.436 4.130 20 30 DIEDRO C=C[C@H](CCCCCCC)OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217885190 1052162961 /nfs/dbraw/zinc/16/29/61/1052162961.db2.gz ZVABRXVOWGXWEX-RTBURBONSA-N 1 0 323.521 4.467 20 30 DIEDRO CCCCCCC[C@H](CC)OC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217889879 1052164727 /nfs/dbraw/zinc/16/47/27/1052164727.db2.gz FAQMBSUXSYQQOU-ROUUACIJSA-N 1 0 311.510 4.301 20 30 DIEDRO N#Cc1ccc(CO[C@@H]2C[NH2+]Cc3ccccc32)c2ccccc12 ZINC001217941827 1052174671 /nfs/dbraw/zinc/17/46/71/1052174671.db2.gz UABDIMCZJDXONN-OAQYLSRUSA-N 1 0 314.388 4.073 20 30 DIEDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001217990156 1052181241 /nfs/dbraw/zinc/18/12/41/1052181241.db2.gz HTQCIDJVGGDLDK-IHZYURKVSA-N 1 0 308.425 4.204 20 30 DIEDRO C[NH2+][C@H]1CC[C@H](Oc2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC001218189870 1052206151 /nfs/dbraw/zinc/20/61/51/1052206151.db2.gz MLTYKRTZQJQJKS-WGSAOQKQSA-N 1 0 306.409 4.135 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(C(=O)CCCCCC)cc1 ZINC001218204580 1052206580 /nfs/dbraw/zinc/20/65/80/1052206580.db2.gz RBEGWIGPTGJLGS-IBGZPJMESA-N 1 0 301.430 4.137 20 30 DIEDRO N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc2ccc3cccc4ccc1c2c34 ZINC001218201914 1052206947 /nfs/dbraw/zinc/20/69/47/1052206947.db2.gz WDFAVCRWJZVHSW-VQIMIIECSA-N 1 0 312.372 4.074 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000780399329 1052216157 /nfs/dbraw/zinc/21/61/57/1052216157.db2.gz JGPLACBTUNNXEN-OJLWIZQOSA-N 1 0 318.420 4.267 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218348926 1052229455 /nfs/dbraw/zinc/22/94/55/1052229455.db2.gz WSGABCVBFWIKLK-ZOCIIQOWSA-N 1 0 309.409 4.206 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@H]2C[NH2+]CCC23CC3)cc1 ZINC001218403513 1052234729 /nfs/dbraw/zinc/23/47/29/1052234729.db2.gz JQUJSJNWEDCVKA-IBGZPJMESA-N 1 0 324.399 4.097 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000495147240 1052234787 /nfs/dbraw/zinc/23/47/87/1052234787.db2.gz JDCNZILBMVVSPW-UHFFFAOYSA-N 1 0 321.424 4.209 20 30 DIEDRO C[C@@H]1CC[C@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C[NH2+]1 ZINC001218407946 1052235690 /nfs/dbraw/zinc/23/56/90/1052235690.db2.gz RVJKZFWFXLKELJ-NJSLKDOXSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]1CC[C@H](Oc2ccccc2C=Nc2ccc(F)cc2)C[NH2+]1 ZINC001218406241 1052236476 /nfs/dbraw/zinc/23/64/76/1052236476.db2.gz MYLQXJASDVBDPO-KDOFPFPSSA-N 1 0 312.388 4.096 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(C(F)(F)F)cc1Cl ZINC001218452212 1052241061 /nfs/dbraw/zinc/24/10/61/1052241061.db2.gz RSPCHAGKDOPGCK-TZMCWYRMSA-N 1 0 319.754 4.434 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(Cc2ccc(O)cc2)cc1 ZINC001218455692 1052241786 /nfs/dbraw/zinc/24/17/86/1052241786.db2.gz PBIFOFVWHLKDCV-NHCUHLMSSA-N 1 0 323.436 4.059 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(-c2csc(C)n2)cc1 ZINC001218456145 1052241966 /nfs/dbraw/zinc/24/19/66/1052241966.db2.gz UQSPZNUGOXYSIQ-SJLPKXTDSA-N 1 0 314.454 4.194 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc2ccccc2cc1C(C)=O ZINC001218455397 1052242074 /nfs/dbraw/zinc/24/20/74/1052242074.db2.gz KAVUCWGUKPDNJK-RTBURBONSA-N 1 0 309.409 4.118 20 30 DIEDRO CC1(C)C[C@H](Oc2ccccc2/C=N/c2ccccc2O)CC[NH2+]1 ZINC001218478479 1052244660 /nfs/dbraw/zinc/24/46/60/1052244660.db2.gz YVODSFCPBSOJEZ-ZFMLPXDISA-N 1 0 324.424 4.052 20 30 DIEDRO N#Cc1ccc(Cl)c(Cl)c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218493100 1052248880 /nfs/dbraw/zinc/24/88/80/1052248880.db2.gz HRTJKSYVMBISIV-AWEZNQCLSA-N 1 0 319.191 4.088 20 30 DIEDRO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H](C)Cc1ccsc1 ZINC000495191624 1052253252 /nfs/dbraw/zinc/25/32/52/1052253252.db2.gz HJCKRYYIMUZXKA-ZDUSSCGKSA-N 1 0 302.418 4.212 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218710645 1052254197 /nfs/dbraw/zinc/25/41/97/1052254197.db2.gz GTWIRKYRPIOETC-KBPBESRZSA-N 1 0 307.438 4.034 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000495244820 1052269753 /nfs/dbraw/zinc/26/97/53/1052269753.db2.gz XQJOWXTVGXMYGZ-AWEZNQCLSA-N 1 0 314.454 4.081 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000324390624 1052309662 /nfs/dbraw/zinc/30/96/62/1052309662.db2.gz PYAMUACPJIWMQI-CVEARBPZSA-N 1 0 324.424 4.399 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220162718 1052322038 /nfs/dbraw/zinc/32/20/38/1052322038.db2.gz LDVMOMAZJNAVPE-LNLFQRSKSA-N 1 0 308.510 4.022 20 30 DIEDRO C=CCCCCCCCCC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220160428 1052322321 /nfs/dbraw/zinc/32/23/21/1052322321.db2.gz ZMLUAWUJUNEZBL-ICSRJNTNSA-N 1 0 320.521 4.332 20 30 DIEDRO C=CCCCCCCCCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220500572 1052337988 /nfs/dbraw/zinc/33/79/88/1052337988.db2.gz JJOGDGDSTHUCGN-SFHVURJKSA-N 1 0 302.462 4.109 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000495435491 1052346489 /nfs/dbraw/zinc/34/64/89/1052346489.db2.gz XAOUJBFABFQFFE-HNNXBMFYSA-N 1 0 308.809 4.125 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000315648322 1052347794 /nfs/dbraw/zinc/34/77/94/1052347794.db2.gz ZXDDYGWPCGUHPU-OAHLLOKOSA-N 1 0 311.450 4.271 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000315680011 1052348209 /nfs/dbraw/zinc/34/82/09/1052348209.db2.gz BXZLTTAIUXAGJX-ZWKOTPCHSA-N 1 0 308.510 4.118 20 30 DIEDRO CC(C)[C@@H](C/N=C/c1cc(Cl)ccc1O)[NH+]1CCC(C)CC1 ZINC000915113550 1052351083 /nfs/dbraw/zinc/35/10/83/1052351083.db2.gz YJOCCSIEUJNEQP-MLHZQLSASA-N 1 0 322.880 4.221 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2)cc(C)c1OC(F)F ZINC000915681729 1052467742 /nfs/dbraw/zinc/46/77/42/1052467742.db2.gz GNTWVMQOUCPPAM-UHFFFAOYSA-N 1 0 316.351 4.066 20 30 DIEDRO Cc1ccc(-c2ccc(C[NH2+]Cc3ccc(C#N)cc3)o2)cc1 ZINC000915681237 1052469379 /nfs/dbraw/zinc/46/93/79/1052469379.db2.gz SBSSFSNLDOKIFB-UHFFFAOYSA-N 1 0 302.377 4.417 20 30 DIEDRO CC[N@H+](CCc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000153697675 1052469912 /nfs/dbraw/zinc/46/99/12/1052469912.db2.gz FHZCJRKLZJJMDO-QGZVFWFLSA-N 1 0 308.425 4.042 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000387193282 1052493575 /nfs/dbraw/zinc/49/35/75/1052493575.db2.gz HGVIQULCAPGRJM-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO Cc1ccc2cc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)ccc2n1 ZINC000322826469 1052498283 /nfs/dbraw/zinc/49/82/83/1052498283.db2.gz ZLSBDPVTJPDXQA-HNNXBMFYSA-N 1 0 301.393 4.266 20 30 DIEDRO C=CCc1cc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c(O)c(OC)c1 ZINC000915838552 1052500999 /nfs/dbraw/zinc/50/09/99/1052500999.db2.gz GJPRGULGAIWDEU-HNNXBMFYSA-N 1 0 323.436 4.249 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001222662937 1052524382 /nfs/dbraw/zinc/52/43/82/1052524382.db2.gz HSNFWKBNYFQCDX-UHFFFAOYSA-N 1 0 320.436 4.111 20 30 DIEDRO C[C@@H](C/N=C\c1c(O)ccc2ccccc21)[NH+]1CCCCCC1 ZINC000915979698 1052573583 /nfs/dbraw/zinc/57/35/83/1052573583.db2.gz JBHNOTNNOKMDSD-NOEYKIMYSA-N 1 0 310.441 4.229 20 30 DIEDRO CCCCCCCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000916194078 1052595022 /nfs/dbraw/zinc/59/50/22/1052595022.db2.gz FZGNVGLFPHYKRO-GOSISDBHSA-N 1 0 323.525 4.007 20 30 DIEDRO CC(C)(C)c1ccc(C2([NH2+]CCOCCC#N)CCCC2)cc1 ZINC001168509608 1052603777 /nfs/dbraw/zinc/60/37/77/1052603777.db2.gz NDWGGYMLYOJEMA-UHFFFAOYSA-N 1 0 314.473 4.273 20 30 DIEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2ccccc2)ccc1O ZINC000916540217 1052613259 /nfs/dbraw/zinc/61/32/59/1052613259.db2.gz QDRVIHYWABIDQO-UHFFFAOYSA-N 1 0 311.429 4.070 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)ccc1C#N ZINC000488128487 1052616320 /nfs/dbraw/zinc/61/63/20/1052616320.db2.gz MABMGFCSADPDTF-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO C[NH+]1C(C)(C)CC(O/C(=N\O)c2ccc(Cl)cc2)CC1(C)C ZINC001223593103 1052617561 /nfs/dbraw/zinc/61/75/61/1052617561.db2.gz IDSKTQONLBDYOC-CYVLTUHYSA-N 1 0 324.852 4.144 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(OC)c(F)c2)cc1 ZINC000916601359 1052618853 /nfs/dbraw/zinc/61/88/53/1052618853.db2.gz JKKODTUZNMIQQN-UHFFFAOYSA-N 1 0 315.388 4.031 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)cc1 ZINC000763408000 1052624020 /nfs/dbraw/zinc/62/40/20/1052624020.db2.gz NNIFREICGSOUIC-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763403716 1052625186 /nfs/dbraw/zinc/62/51/86/1052625186.db2.gz PYKGQMBEKWVYFZ-FQEVSTJZSA-N 1 0 322.452 4.140 20 30 DIEDRO N#C[C@H](O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC001223711202 1052628818 /nfs/dbraw/zinc/62/88/18/1052628818.db2.gz OKNXLXIMKBBZGZ-ICSRJNTNSA-N 1 0 324.399 4.072 20 30 DIEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)c(C)c3)CCCC2)cc1 ZINC000488163330 1052630870 /nfs/dbraw/zinc/63/08/70/1052630870.db2.gz OYWIDJYRXHGXJE-UHFFFAOYSA-N 1 0 320.436 4.434 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000125617728 1052651024 /nfs/dbraw/zinc/65/10/24/1052651024.db2.gz BKLYSMOAHNGUFY-OAHLLOKOSA-N 1 0 312.251 4.083 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000497136222 1052655255 /nfs/dbraw/zinc/65/52/55/1052655255.db2.gz ZZKJUWUZJLZLOO-UHFFFAOYSA-N 1 0 309.457 4.233 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000497140938 1052655694 /nfs/dbraw/zinc/65/56/94/1052655694.db2.gz DQQDNEPEPZJSNG-UHFFFAOYSA-N 1 0 303.837 4.150 20 30 DIEDRO C[NH+](C)C1CCC(OCc2ccc(C#N)c3ccccc23)CC1 ZINC001224027876 1052662280 /nfs/dbraw/zinc/66/22/80/1052662280.db2.gz AUZWUYATHSYMJP-UHFFFAOYSA-N 1 0 308.425 4.101 20 30 DIEDRO C[NH+](C)CC[C@H](O[C@@H](CC#N)c1ccccc1)c1ccccc1 ZINC001224132598 1052670975 /nfs/dbraw/zinc/67/09/75/1052670975.db2.gz DPUUBHQQQOAJDN-PMACEKPBSA-N 1 0 308.425 4.351 20 30 DIEDRO C[C@@H](O[C@H](CC[NH+](C)C)c1ccccc1)c1ccccc1C#N ZINC001224132660 1052671900 /nfs/dbraw/zinc/67/19/00/1052671900.db2.gz FOXDHHHAUXGTTB-OXQOHEQNSA-N 1 0 308.425 4.329 20 30 DIEDRO C[C@H](O[C@@H](CC[NH+](C)C)c1ccccc1)c1ccccc1C#N ZINC001224132658 1052672121 /nfs/dbraw/zinc/67/21/21/1052672121.db2.gz FOXDHHHAUXGTTB-JXFKEZNVSA-N 1 0 308.425 4.329 20 30 DIEDRO N#Cc1ccc(OCCC[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000917009446 1052679280 /nfs/dbraw/zinc/67/92/80/1052679280.db2.gz DPKWJHYBPNKSCN-UHFFFAOYSA-N 1 0 320.436 4.207 20 30 DIEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000917087106 1052697474 /nfs/dbraw/zinc/69/74/74/1052697474.db2.gz QMVYRBXEUIXPDL-HXUWFJFHSA-N 1 0 324.399 4.303 20 30 DIEDRO C=CCCCCCCCOC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001224507450 1052703207 /nfs/dbraw/zinc/70/32/07/1052703207.db2.gz GYSVXMJVVSNZAA-GOSISDBHSA-N 1 0 309.494 4.173 20 30 DIEDRO CCCCCCCCCC[C@H](C)OCCN1CC[NH+](C)CC1 ZINC001224550486 1052705742 /nfs/dbraw/zinc/70/57/42/1052705742.db2.gz VWTNRBODIKZZIB-IBGZPJMESA-N 1 0 312.542 4.170 20 30 DIEDRO CC[C@@H](COC)OCC[S+](c1ccccc1)c1ccccc1 ZINC001224637579 1052711845 /nfs/dbraw/zinc/71/18/45/1052711845.db2.gz UKUHMMVWSDJLLC-KRWDZBQOSA-N 1 0 317.474 4.165 20 30 DIEDRO CO[C@@H](C)CCOCC[S+](c1ccccc1)c1ccccc1 ZINC001224636874 1052711976 /nfs/dbraw/zinc/71/19/76/1052711976.db2.gz QMFMVOHWMJOPMH-KRWDZBQOSA-N 1 0 317.474 4.165 20 30 DIEDRO C[C@@H](CC(C)(C)S)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224823753 1052729443 /nfs/dbraw/zinc/72/94/43/1052729443.db2.gz GVFREMFTDQYDGM-FUHWJXTLSA-N 1 0 321.530 4.402 20 30 DIEDRO Oc1ccccc1C=Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000917558011 1052736104 /nfs/dbraw/zinc/73/61/04/1052736104.db2.gz KTFGBLLZWRQTCP-UHFFFAOYSA-N 1 0 308.425 4.171 20 30 DIEDRO CC(C)c1cccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001225239804 1052760832 /nfs/dbraw/zinc/76/08/32/1052760832.db2.gz JLJPAUZNDVWHOV-NRFANRHFSA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(CC#N)cc1 ZINC001225266552 1052766389 /nfs/dbraw/zinc/76/63/89/1052766389.db2.gz LKLPSJQPDXXACY-UTKZUKDTSA-N 1 0 320.436 4.042 20 30 DIEDRO C=CC[N@H+](Cc1c(-c2ccccc2)nc2sccn12)C(C)C ZINC000918000543 1052772278 /nfs/dbraw/zinc/77/22/78/1052772278.db2.gz XLVCAVWJGMGLGI-UHFFFAOYSA-N 1 0 311.454 4.459 20 30 DIEDRO CC(C)[N@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000154660361 1052786406 /nfs/dbraw/zinc/78/64/06/1052786406.db2.gz ZJMCHSXSVWKBCA-KRWDZBQOSA-N 1 0 308.425 4.388 20 30 DIEDRO CC(C)(CCC#N)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000154713984 1052794088 /nfs/dbraw/zinc/79/40/88/1052794088.db2.gz IAXASCBTLWLMHE-UHFFFAOYSA-N 1 0 312.413 4.317 20 30 DIEDRO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249510 1052810885 /nfs/dbraw/zinc/81/08/85/1052810885.db2.gz VQYDJGJHYAQRIJ-GOSISDBHSA-N 1 0 310.828 4.419 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2ccc(C#N)cc2Cl)CC1(C)C ZINC001225727358 1052821800 /nfs/dbraw/zinc/82/18/00/1052821800.db2.gz OVZREXREXLPARP-UHFFFAOYSA-N 1 0 306.837 4.242 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000918696461 1052824137 /nfs/dbraw/zinc/82/41/37/1052824137.db2.gz UIUWYCIBVUDFDY-GOSISDBHSA-N 1 0 308.510 4.214 20 30 DIEDRO CC1CC[NH+]([C@H](C/N=C\c2ccccc2O)c2ccccc2)CC1 ZINC000918713162 1052825357 /nfs/dbraw/zinc/82/53/57/1052825357.db2.gz VZUROZCDFDALEG-AREJXAQWSA-N 1 0 322.452 4.284 20 30 DIEDRO COc1ccc(CC[N@H+](CCCCC#N)Cc2ccccc2)cc1 ZINC000170727071 1052828606 /nfs/dbraw/zinc/82/86/06/1052828606.db2.gz MVHAZDHXNMRUOP-UHFFFAOYSA-N 1 0 322.452 4.434 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000037507751 1052845146 /nfs/dbraw/zinc/84/51/46/1052845146.db2.gz BZEGEIBIYDUVAR-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO C[C@@H]1[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[C@H]1c1ccccc1 ZINC000556600008 1052869941 /nfs/dbraw/zinc/86/99/41/1052869941.db2.gz DRWUNFPOKFBNNE-CWFSZBLJSA-N 1 0 302.421 4.329 20 30 DIEDRO CCCCCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000919654718 1052880324 /nfs/dbraw/zinc/88/03/24/1052880324.db2.gz IPWRYVYPAIZEPP-QZTJIDSGSA-N 1 0 323.525 4.005 20 30 DIEDRO Cc1cc2cc(C[NH2+][C@@H](C)c3ccc(C#N)cc3F)ccc2[nH]1 ZINC000556898116 1052896446 /nfs/dbraw/zinc/89/64/46/1052896446.db2.gz UWYGYIMTLNOPHP-ZDUSSCGKSA-N 1 0 307.372 4.338 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)s1 ZINC000556909394 1052896911 /nfs/dbraw/zinc/89/69/11/1052896911.db2.gz BUKBEOHVJQSCDQ-CYBMUJFWSA-N 1 0 302.830 4.263 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H]3CF)c2)c1 ZINC000556949681 1052904026 /nfs/dbraw/zinc/90/40/26/1052904026.db2.gz AGTYOWMCPODXPQ-LJQANCHMSA-N 1 0 324.399 4.071 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H]2c2ccccc2)c1O ZINC000919941357 1052905213 /nfs/dbraw/zinc/90/52/13/1052905213.db2.gz YDSWVZGLIFUVNP-FQEVSTJZSA-N 1 0 323.436 4.466 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@H+](CC(C)C)C2CC2)c1O ZINC000919938336 1052905983 /nfs/dbraw/zinc/90/59/83/1052905983.db2.gz BGFRDKBXKMQBOT-UHFFFAOYSA-N 1 0 303.446 4.140 20 30 DIEDRO C[N@H+](CC/N=C\c1c(O)ccc2ccccc21)Cc1ccccc1 ZINC000920173349 1052925897 /nfs/dbraw/zinc/92/58/97/1052925897.db2.gz CQAXDOJDXGYIIV-JCMHNJIXSA-N 1 0 318.420 4.096 20 30 DIEDRO Cc1cc(OC2CC[NH+](Cc3ccccc3)CC2)cc(C)c1C#N ZINC001226831583 1052935940 /nfs/dbraw/zinc/93/59/40/1052935940.db2.gz KIHSEFBDUONIMF-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO C[C@H](N[NH+]=Cc1ccc(N2CCCCC2)s1)c1ccccc1 ZINC000920385379 1052937127 /nfs/dbraw/zinc/93/71/27/1052937127.db2.gz BNRHKXNSXPTDND-HNNXBMFYSA-N 1 0 313.470 4.423 20 30 DIEDRO Cc1ccc(C#N)cc1O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001226878743 1052941240 /nfs/dbraw/zinc/94/12/40/1052941240.db2.gz RTPRMYKWYJGXJK-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccc([C@H](C/N=C/c2cc(Cl)ccc2O)[NH+](C)C)cc1 ZINC000921262111 1052966703 /nfs/dbraw/zinc/96/67/03/1052966703.db2.gz ZXXPRQRGIDKOAR-PBGVMVHZSA-N 1 0 316.832 4.076 20 30 DIEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609433332 1052977204 /nfs/dbraw/zinc/97/72/04/1052977204.db2.gz UVNMTFZGLSQHFJ-IIBYNOLFSA-N 1 0 320.436 4.415 20 30 DIEDRO CCC[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609432668 1052977206 /nfs/dbraw/zinc/97/72/06/1052977206.db2.gz GOFHMKMBJNNGID-MRXNPFEDSA-N 1 0 308.425 4.415 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2CCCC2)c1 ZINC000609432892 1052977340 /nfs/dbraw/zinc/97/73/40/1052977340.db2.gz ZJGADNWTPZGLHX-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO N#CCSCCC[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000135367478 1052981694 /nfs/dbraw/zinc/98/16/94/1052981694.db2.gz SJHQVABZEDITGP-SFHVURJKSA-N 1 0 302.487 4.121 20 30 DIEDRO Cc1ccccc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000609544824 1052982563 /nfs/dbraw/zinc/98/25/63/1052982563.db2.gz FOIOPOZURYXIQZ-UHFFFAOYSA-N 1 0 320.436 4.347 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609823459 1052994172 /nfs/dbraw/zinc/99/41/72/1052994172.db2.gz HLCVLTQAEIFEJM-DNVCBOLYSA-N 1 0 308.450 4.409 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609823493 1052994504 /nfs/dbraw/zinc/99/45/04/1052994504.db2.gz LIBNXMIUTYWLJI-OXQOHEQNSA-N 1 0 306.409 4.083 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1cccc(Cl)c1C#N)c1ccccc1 ZINC001227788591 1053016766 /nfs/dbraw/zinc/01/67/66/1053016766.db2.gz CDQIEZNIADEEHT-KRWDZBQOSA-N 1 0 314.816 4.283 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000615473375 1053020422 /nfs/dbraw/zinc/02/04/22/1053020422.db2.gz XXJYGSTYOXJFCN-MOPGFXCFSA-N 1 0 322.383 4.188 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)cc1 ZINC000237703592 1053021000 /nfs/dbraw/zinc/02/10/00/1053021000.db2.gz OTANZAKOODTBIT-IRXDYDNUSA-N 1 0 322.452 4.433 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237694012 1053021445 /nfs/dbraw/zinc/02/14/45/1053021445.db2.gz ULHGPMUVXNUWSZ-KRWDZBQOSA-N 1 0 322.452 4.353 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000179659139 1053021695 /nfs/dbraw/zinc/02/16/95/1053021695.db2.gz SKWYTRKHUUSMNN-UHFFFAOYSA-N 1 0 308.400 4.406 20 30 DIEDRO CCC[N@H+](Cc1cn(C)nc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000179721402 1053023611 /nfs/dbraw/zinc/02/36/11/1053023611.db2.gz TUXDGPHITUZGEH-UHFFFAOYSA-N 1 0 324.472 4.001 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)cc1 ZINC000237772572 1053025627 /nfs/dbraw/zinc/02/56/27/1053025627.db2.gz OWQKGHAZMLXAEY-HDMKZQKVSA-N 1 0 300.446 4.282 20 30 DIEDRO C=CCc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(OC)c1 ZINC001227926985 1053029650 /nfs/dbraw/zinc/02/96/50/1053029650.db2.gz NQORHQBZHUCRTP-PIIMJCKOSA-N 1 0 315.457 4.206 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)cc1 ZINC000237841987 1053031757 /nfs/dbraw/zinc/03/17/57/1053031757.db2.gz ZUCYIDYGLKFPGM-NRFANRHFSA-N 1 0 320.436 4.132 20 30 DIEDRO C=CC[C@H](C)[C@H](C)N[C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000179899836 1053032715 /nfs/dbraw/zinc/03/27/15/1053032715.db2.gz IZPAVVFIUSUBGD-MQIPJXDCSA-N 1 0 319.836 4.311 20 30 DIEDRO Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000179993727 1053040312 /nfs/dbraw/zinc/04/03/12/1053040312.db2.gz OUKJWDIJMSCDCR-INIZCTEOSA-N 1 0 323.440 4.132 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 ZINC001228084815 1053042374 /nfs/dbraw/zinc/04/23/74/1053042374.db2.gz RDUFCLXSVKIOQR-KRWDZBQOSA-N 1 0 314.816 4.283 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC(C)=O)cc1)c1ccccc1 ZINC000180051457 1053043160 /nfs/dbraw/zinc/04/31/60/1053043160.db2.gz WHVHAJMQYWHTFO-FQEVSTJZSA-N 1 0 309.409 4.409 20 30 DIEDRO O=C(/C=C/c1cccc2nccn21)c1ccccc1C(F)(F)F ZINC000180307760 1053052831 /nfs/dbraw/zinc/05/28/31/1053052831.db2.gz UXQBKHGOAUPZAP-CMDGGOBGSA-N 1 0 316.282 4.249 20 30 DIEDRO C#C[C@H](CC)Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001228374556 1053087326 /nfs/dbraw/zinc/08/73/26/1053087326.db2.gz LXCLSSPZCVGEJP-QGZVFWFLSA-N 1 0 308.425 4.011 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180905992 1053103593 /nfs/dbraw/zinc/10/35/93/1053103593.db2.gz MINVGJNWXVIFAR-XYTVBORESA-N 1 0 322.493 4.251 20 30 DIEDRO C#CCCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180941251 1053117280 /nfs/dbraw/zinc/11/72/80/1053117280.db2.gz SMCFTCHXVRHUAN-LJQANCHMSA-N 1 0 308.381 4.077 20 30 DIEDRO C#CCCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180941230 1053117952 /nfs/dbraw/zinc/11/79/52/1053117952.db2.gz SMCFTCHXVRHUAN-IBGZPJMESA-N 1 0 308.381 4.077 20 30 DIEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C1 ZINC001228498220 1053118778 /nfs/dbraw/zinc/11/87/78/1053118778.db2.gz LLIBOHPTLZJYCY-XEDBTPMOSA-N 1 0 321.420 4.056 20 30 DIEDRO C[NH+]1CCC(Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)CC1 ZINC001228499824 1053118816 /nfs/dbraw/zinc/11/88/16/1053118816.db2.gz ZIAMPSMWLLEFTM-FMIVXFBMSA-N 1 0 321.420 4.056 20 30 DIEDRO CC(=O)/C=C\c1ccc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001228497770 1053119583 /nfs/dbraw/zinc/11/95/83/1053119583.db2.gz XGLWZMBOELEDIP-FPLPWBNLSA-N 1 0 315.457 4.319 20 30 DIEDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1/C=C/C(=O)c1ccccc1 ZINC001228542524 1053129459 /nfs/dbraw/zinc/12/94/59/1053129459.db2.gz ICRXDLSIZMKXPQ-IAOULYHDSA-N 1 0 324.444 4.056 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC001559554087 1053136131 /nfs/dbraw/zinc/13/61/31/1053136131.db2.gz SNCXAUCEXPQKRE-UHFFFAOYSA-N 1 0 321.262 4.499 20 30 DIEDRO CC(C)(C)OC(=O)C[N@H+](CCCCC1(C#N)CCC1)C1CCC1 ZINC001559952365 1053139254 /nfs/dbraw/zinc/13/92/54/1053139254.db2.gz JBEUMASYCORSHO-UHFFFAOYSA-N 1 0 320.477 4.047 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC001474687510 1053140077 /nfs/dbraw/zinc/14/00/77/1053140077.db2.gz POAPKTYAILOESU-OAHLLOKOSA-N 1 0 312.498 4.404 20 30 DIEDRO C#C[C@@H](Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1)C(C)C ZINC001228830924 1053188120 /nfs/dbraw/zinc/18/81/20/1053188120.db2.gz UIOPXEXRLJNGBO-HXUWFJFHSA-N 1 0 310.441 4.014 20 30 DIEDRO C#C[C@@H]1CCC[C@H]1Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228829091 1053188354 /nfs/dbraw/zinc/18/83/54/1053188354.db2.gz HOWRQLIBRYJHIZ-QVKFZJNVSA-N 1 0 322.452 4.158 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1 ZINC000181398803 1053201675 /nfs/dbraw/zinc/20/16/75/1053201675.db2.gz OXLMIPXQWOVUHU-VQIMIIECSA-N 1 0 323.440 4.029 20 30 DIEDRO C[C@@H](OCCC[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000181420676 1053205363 /nfs/dbraw/zinc/20/53/63/1053205363.db2.gz CEFLWRPUKUMBJV-DLBZAZTESA-N 1 0 308.425 4.377 20 30 DIEDRO C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1cccc(C#N)c1 ZINC000181420710 1053205883 /nfs/dbraw/zinc/20/58/83/1053205883.db2.gz CEFLWRPUKUMBJV-IAGOWNOFSA-N 1 0 308.425 4.377 20 30 DIEDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC001319241105 1053230301 /nfs/dbraw/zinc/23/03/01/1053230301.db2.gz WJHQVWFEDVQFOE-JKSUJKDBSA-N 1 0 302.487 4.204 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001319376863 1053239497 /nfs/dbraw/zinc/23/94/97/1053239497.db2.gz DQBBJCZXWWGOJK-NRFANRHFSA-N 1 0 319.452 4.421 20 30 DIEDRO C=C(C)c1ccc(OC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC001229079018 1053241280 /nfs/dbraw/zinc/24/12/80/1053241280.db2.gz OJPDYRGEKCAEJL-UHFFFAOYSA-N 1 0 308.425 4.471 20 30 DIEDRO C=C(C)c1ccc(O[C@H]2CCCN(c3ccc(C)cn3)C2)cc1 ZINC001229079475 1053241704 /nfs/dbraw/zinc/24/17/04/1053241704.db2.gz TVEZKDPPDOOTHO-IBGZPJMESA-N 1 0 308.425 4.471 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000181571906 1053249150 /nfs/dbraw/zinc/24/91/50/1053249150.db2.gz RJCKCGKAAIRWGW-DNVCBOLYSA-N 1 0 306.409 4.317 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001319604528 1053255233 /nfs/dbraw/zinc/25/52/33/1053255233.db2.gz UHSPQPSRZGABTN-HNNXBMFYSA-N 1 0 310.445 4.072 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)COCc1ccccc1 ZINC000181606930 1053258423 /nfs/dbraw/zinc/25/84/23/1053258423.db2.gz MLRMIBXULZJKAC-SJORKVTESA-N 1 0 308.425 4.062 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001360675124 1053260565 /nfs/dbraw/zinc/26/05/65/1053260565.db2.gz WFHDTWJPMOUUJA-OKZBNKHCSA-N 1 0 310.526 4.314 20 30 DIEDRO Cc1cccc(C#N)c1O[C@H](c1ccccc1)[C@H](C)[NH+]1CCCC1 ZINC001229178955 1053267059 /nfs/dbraw/zinc/26/70/59/1053267059.db2.gz AEVBWUBLALGGDM-UWJYYQICSA-N 1 0 320.436 4.471 20 30 DIEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001319784186 1053273800 /nfs/dbraw/zinc/27/38/00/1053273800.db2.gz MJRQJQHYPBESQA-PKOBYXMFSA-N 1 0 300.446 4.283 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000449546985 1053276890 /nfs/dbraw/zinc/27/68/90/1053276890.db2.gz GETMFAQTMCIHCE-RUOPDXTDSA-N 1 0 305.384 4.067 20 30 DIEDRO Cc1ccc([C@@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181778846 1053290284 /nfs/dbraw/zinc/29/02/84/1053290284.db2.gz ZQOBYSBOOQORSH-DLBZAZTESA-N 1 0 308.425 4.352 20 30 DIEDRO Cc1ccc([C@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181778828 1053290685 /nfs/dbraw/zinc/29/06/85/1053290685.db2.gz ZQOBYSBOOQORSH-SJORKVTESA-N 1 0 308.425 4.352 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000618311017 1053292021 /nfs/dbraw/zinc/29/20/21/1053292021.db2.gz XQERFJVCXOOOSV-CQSZACIVSA-N 1 0 310.363 4.262 20 30 DIEDRO Cc1cccc([C@@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181801118 1053292158 /nfs/dbraw/zinc/29/21/58/1053292158.db2.gz GHUAVEZWGVSODE-DLBZAZTESA-N 1 0 308.425 4.352 20 30 DIEDRO COc1c(C)cnc(CSCc2cccc(C#N)c2F)c1C ZINC001320096773 1053304500 /nfs/dbraw/zinc/30/45/00/1053304500.db2.gz XBOFFNOUYOYPBM-UHFFFAOYSA-N 1 0 316.401 4.151 20 30 DIEDRO C[NH+]1CCC(Oc2ccc(/C=N/c3ccc(F)cc3)cc2)CC1 ZINC001229353196 1053305430 /nfs/dbraw/zinc/30/54/30/1053305430.db2.gz JSHCGAUQRNEVRC-KGENOOAVSA-N 1 0 312.388 4.049 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001229375483 1053310100 /nfs/dbraw/zinc/31/01/00/1053310100.db2.gz FOVIFYVAPYHDSI-HXUWFJFHSA-N 1 0 324.399 4.049 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001229375482 1053310638 /nfs/dbraw/zinc/31/06/38/1053310638.db2.gz FOVIFYVAPYHDSI-FQEVSTJZSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000181980513 1053319798 /nfs/dbraw/zinc/31/97/98/1053319798.db2.gz PGLBYLRKKHYOQZ-IERDGZPVSA-N 1 0 320.436 4.261 20 30 DIEDRO N#C[C@H](Oc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1F ZINC001229449123 1053323797 /nfs/dbraw/zinc/32/37/97/1053323797.db2.gz XWWCWXMJWXHBPK-FQEVSTJZSA-N 1 0 324.399 4.455 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC001320305731 1053323929 /nfs/dbraw/zinc/32/39/29/1053323929.db2.gz DOYXSDDCTNSSKM-OCCSQVGLSA-N 1 0 321.367 4.293 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC001320301602 1053324002 /nfs/dbraw/zinc/32/40/02/1053324002.db2.gz GBLNUHRXGHGKAX-SJLPKXTDSA-N 1 0 311.425 4.117 20 30 DIEDRO N#C[C@H](Oc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC001229448248 1053324032 /nfs/dbraw/zinc/32/40/32/1053324032.db2.gz GVRAWYBFVPNZCQ-FQEVSTJZSA-N 1 0 306.409 4.316 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000618578595 1053324838 /nfs/dbraw/zinc/32/48/38/1053324838.db2.gz IINVKHKDVUJFBA-GOEBONIOSA-N 1 0 318.411 4.449 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC(OC(C)C)CC1)c1ccc(C#N)cc1 ZINC000618572301 1053325210 /nfs/dbraw/zinc/32/52/10/1053325210.db2.gz OJOHABZYABQWHT-CTWPCTMYSA-N 1 0 300.446 4.335 20 30 DIEDRO CC[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000618572218 1053325411 /nfs/dbraw/zinc/32/54/11/1053325411.db2.gz VJNXACYIMLWPTD-QGZVFWFLSA-N 1 0 316.445 4.111 20 30 DIEDRO CCO[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000618578910 1053325425 /nfs/dbraw/zinc/32/54/25/1053325425.db2.gz SSEZAFDXJYHISG-SFTDATJTSA-N 1 0 320.436 4.303 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)C1 ZINC000618564699 1053325470 /nfs/dbraw/zinc/32/54/70/1053325470.db2.gz KADLVZAASBNFGJ-HOCLYGCPSA-N 1 0 310.363 4.310 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000618571988 1053326840 /nfs/dbraw/zinc/32/68/40/1053326840.db2.gz BZGTUBGWNVLOCR-MSOLQXFVSA-N 1 0 300.446 4.194 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000182089597 1053342678 /nfs/dbraw/zinc/34/26/78/1053342678.db2.gz UDARDZUNCDKYOQ-MAUKXSAKSA-N 1 0 323.415 4.017 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000618742257 1053358529 /nfs/dbraw/zinc/35/85/29/1053358529.db2.gz LOJMSMLRBURKPZ-AWEZNQCLSA-N 1 0 322.355 4.416 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(Cl)cc1F ZINC000618741159 1053358599 /nfs/dbraw/zinc/35/85/99/1053358599.db2.gz CVEQPIKGOUBWSC-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO Cc1nc2ccc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)cc2s1 ZINC000618741629 1053358766 /nfs/dbraw/zinc/35/87/66/1053358766.db2.gz HYAZIWSSWNMTBK-KRWDZBQOSA-N 1 0 319.433 4.254 20 30 DIEDRO CCSc1cccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741419 1053358945 /nfs/dbraw/zinc/35/89/45/1053358945.db2.gz FZBBGGRYYADBHO-LJQANCHMSA-N 1 0 308.450 4.447 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000618742165 1053359712 /nfs/dbraw/zinc/35/97/12/1053359712.db2.gz SGZJVCFSCVPXEI-HNNXBMFYSA-N 1 0 323.396 4.084 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001545710322 1053361419 /nfs/dbraw/zinc/36/14/19/1053361419.db2.gz XSBDZTUHXWLWDM-BBWFWOEESA-N 1 0 308.510 4.115 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000618802387 1053366474 /nfs/dbraw/zinc/36/64/74/1053366474.db2.gz JHQXHYFDDBOZDD-RBUKOAKNSA-N 1 0 308.812 4.476 20 30 DIEDRO CCCCCCCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001545838088 1053367672 /nfs/dbraw/zinc/36/76/72/1053367672.db2.gz BKESWSVMVLJPPQ-UHFFFAOYSA-N 1 0 316.489 4.373 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804745 1053369753 /nfs/dbraw/zinc/36/97/53/1053369753.db2.gz LSVPDXFCWISVEZ-VLIAUNLRSA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618806758 1053370996 /nfs/dbraw/zinc/37/09/96/1053370996.db2.gz RSMIHBLNMCUSAD-VBKZILBWSA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618806756 1053371468 /nfs/dbraw/zinc/37/14/68/1053371468.db2.gz RSMIHBLNMCUSAD-JLTOFOAXSA-N 1 0 308.400 4.296 20 30 DIEDRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804755 1053371530 /nfs/dbraw/zinc/37/15/30/1053371530.db2.gz LTVRXZHLOIPYSU-KUHUBIRLSA-N 1 0 306.409 4.213 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000618807226 1053373299 /nfs/dbraw/zinc/37/32/99/1053373299.db2.gz WHAXZHIUVHSNIU-RBUKOAKNSA-N 1 0 308.812 4.476 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc2cnccc2c1 ZINC000618809751 1053373660 /nfs/dbraw/zinc/37/36/60/1053373660.db2.gz SQGVKNTXCKJYNH-UHFFFAOYSA-N 1 0 313.404 4.295 20 30 DIEDRO CC[C@@]1(c2cccc(O[C@H](C)CS)c2)CCCC[N@H+](C)C1 ZINC001229648458 1053374093 /nfs/dbraw/zinc/37/40/93/1053374093.db2.gz VDLVXUZYYYPZAI-CRAIPNDOSA-N 1 0 307.503 4.147 20 30 DIEDRO CC[C@@]1(c2cccc(O[C@@H](C)CS)c2)CCCC[N@H+](C)C1 ZINC001229648459 1053374111 /nfs/dbraw/zinc/37/41/11/1053374111.db2.gz VDLVXUZYYYPZAI-MAUKXSAKSA-N 1 0 307.503 4.147 20 30 DIEDRO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccc(CC[NH+](C)C)cc2)O1 ZINC001229657053 1053376271 /nfs/dbraw/zinc/37/62/71/1053376271.db2.gz FZKWAABUGGXBPM-UYAOXDASSA-N 1 0 317.473 4.072 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CS1 ZINC000618831381 1053377686 /nfs/dbraw/zinc/37/76/86/1053377686.db2.gz OKZRHZWHFKDTOU-UAGQMJEPSA-N 1 0 300.471 4.055 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](OCCC)CC2)cc1 ZINC000093316643 1053382991 /nfs/dbraw/zinc/38/29/91/1053382991.db2.gz RVMQVMFJRQDAAJ-SFHVURJKSA-N 1 0 303.446 4.033 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1ccc(OCC#N)cc1 ZINC000182242242 1053383874 /nfs/dbraw/zinc/38/38/74/1053383874.db2.gz CLPWZRMMKGSPMU-CQSZACIVSA-N 1 0 310.372 4.068 20 30 DIEDRO Cc1c[nH+]c2ccccc2c1NCc1ccc(C#N)c(Cl)c1 ZINC001321396992 1053411374 /nfs/dbraw/zinc/41/13/74/1053411374.db2.gz XOLVQAKCGBLGEE-UHFFFAOYSA-N 1 0 307.784 4.102 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(F)cc2C[NH+](C)C)O1 ZINC001229858197 1053419665 /nfs/dbraw/zinc/41/96/65/1053419665.db2.gz IYPCNDMXASCDSU-HKUYNNGSSA-N 1 0 321.436 4.168 20 30 DIEDRO C[C@H]1SCC[N@H+](CC(C)(C)CCC#N)[C@@H]1c1ccccc1 ZINC000093535718 1053422331 /nfs/dbraw/zinc/42/23/31/1053422331.db2.gz JNKRVHUPWCOCAA-WBVHZDCISA-N 1 0 302.487 4.495 20 30 DIEDRO CC[NH+]1CCC(Oc2ccccc2/C=N/c2ccccc2O)CC1 ZINC001229932176 1053434709 /nfs/dbraw/zinc/43/47/09/1053434709.db2.gz APOVITQSEDGHBA-RCCKNPSSSA-N 1 0 324.424 4.006 20 30 DIEDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619287072 1053472681 /nfs/dbraw/zinc/47/26/81/1053472681.db2.gz YFILQPRYNQQWRL-IUODEOHRSA-N 1 0 310.363 4.260 20 30 DIEDRO N#CCSCCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182601632 1053481602 /nfs/dbraw/zinc/48/16/02/1053481602.db2.gz YONSUDKVWWLOFK-INIZCTEOSA-N 1 0 308.878 4.418 20 30 DIEDRO C[C@@H]([C@H](Oc1ccccc1CC#N)c1ccccc1)[NH+]1CCCC1 ZINC001230271847 1053508896 /nfs/dbraw/zinc/50/88/96/1053508896.db2.gz HCFGPOUMWULPHI-UWJYYQICSA-N 1 0 320.436 4.357 20 30 DIEDRO Cc1cc(C)cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182757323 1053510575 /nfs/dbraw/zinc/51/05/75/1053510575.db2.gz SSUVBHRPMUGPQO-UHFFFAOYSA-N 1 0 319.452 4.252 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000619620473 1053521045 /nfs/dbraw/zinc/52/10/45/1053521045.db2.gz XVCHFTCUGKFYEP-IBGZPJMESA-N 1 0 312.457 4.096 20 30 DIEDRO COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000619673655 1053527313 /nfs/dbraw/zinc/52/73/13/1053527313.db2.gz VGLVHJWETXIKOA-WOJBJXKFSA-N 1 0 318.420 4.221 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC2CCOCC2)cc1 ZINC001322643037 1053531807 /nfs/dbraw/zinc/53/18/07/1053531807.db2.gz YNMNOSHDBVNNEA-OAHLLOKOSA-N 1 0 323.864 4.285 20 30 DIEDRO C[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000619720352 1053540300 /nfs/dbraw/zinc/54/03/00/1053540300.db2.gz DGTZMHWBLSZTST-CJNGLKHVSA-N 1 0 310.363 4.435 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000619724248 1053540698 /nfs/dbraw/zinc/54/06/98/1053540698.db2.gz IOPQSMFUEAXFGK-LRQRDZAKSA-N 1 0 317.436 4.257 20 30 DIEDRO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1F ZINC000619724992 1053540910 /nfs/dbraw/zinc/54/09/10/1053540910.db2.gz AZXAHVZIXVTUHU-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754457 1053547692 /nfs/dbraw/zinc/54/76/92/1053547692.db2.gz AAUXEMRQGYWUPA-UGSOOPFHSA-N 1 0 314.816 4.077 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619755929 1053547997 /nfs/dbraw/zinc/54/79/97/1053547997.db2.gz ZHKPZCMZDRHOLG-SNVBAGLBSA-N 1 0 319.861 4.390 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1Cl ZINC000619754823 1053548636 /nfs/dbraw/zinc/54/86/36/1053548636.db2.gz LJEUIMRVQLZKCO-OAHLLOKOSA-N 1 0 302.830 4.440 20 30 DIEDRO CCCOc1cccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619748525 1053553979 /nfs/dbraw/zinc/55/39/79/1053553979.db2.gz HJCFZNBWSJICPB-UHFFFAOYSA-N 1 0 314.816 4.290 20 30 DIEDRO CC(C)Cc1ncc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619748577 1053554525 /nfs/dbraw/zinc/55/45/25/1053554525.db2.gz IZLMPWBBWXHJRI-UHFFFAOYSA-N 1 0 319.861 4.156 20 30 DIEDRO N#Cc1ccc(CNc2cc[nH+]c3c(O)cccc23)cc1Cl ZINC000619747043 1053554550 /nfs/dbraw/zinc/55/45/50/1053554550.db2.gz YKEFZWCPQZIPNA-UHFFFAOYSA-N 1 0 309.756 4.078 20 30 DIEDRO N#Cc1ccc(C[NH2+]C/C=C\c2ccc(F)cc2)cc1Cl ZINC000619748636 1053554712 /nfs/dbraw/zinc/55/47/12/1053554712.db2.gz PJISAKMUEMKLIJ-UPHRSURJSA-N 1 0 300.764 4.154 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(C3CCC3)s2)cc1Cl ZINC000619748546 1053554798 /nfs/dbraw/zinc/55/47/98/1053554798.db2.gz HTOFCQIUNBVQES-UHFFFAOYSA-N 1 0 317.845 4.225 20 30 DIEDRO CCCC[N@H+](CC)Cc1cccc(CNc2ccc(C#N)cn2)c1 ZINC000471749272 1053555788 /nfs/dbraw/zinc/55/57/88/1053555788.db2.gz QYGUAERFWLNWIX-UHFFFAOYSA-N 1 0 322.456 4.187 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748979 1053556044 /nfs/dbraw/zinc/55/60/44/1053556044.db2.gz UUSZBPYPKRNZSY-UHFFFAOYSA-N 1 0 302.830 4.223 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000619784517 1053558971 /nfs/dbraw/zinc/55/89/71/1053558971.db2.gz OGYHRFYZCXEIIB-INIZCTEOSA-N 1 0 322.374 4.421 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2oc3ccccc3c2C)CC1 ZINC000152972148 1053563663 /nfs/dbraw/zinc/56/36/63/1053563663.db2.gz IECUIGBROJKEMW-MRXNPFEDSA-N 1 0 312.457 4.432 20 30 DIEDRO Cc1cc(C#N)ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001230682585 1053580953 /nfs/dbraw/zinc/58/09/53/1053580953.db2.gz OJBXBDPXYSWPPP-UTKZUKDTSA-N 1 0 320.436 4.156 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC001324021816 1053616629 /nfs/dbraw/zinc/61/66/29/1053616629.db2.gz MFSIRLIGLYCMIP-YPMHNXCESA-N 1 0 319.392 4.193 20 30 DIEDRO C[C@H](Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000183329233 1053635710 /nfs/dbraw/zinc/63/57/10/1053635710.db2.gz WODJGERLLNNBTP-KRWDZBQOSA-N 1 0 319.452 4.370 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC001324331116 1053644543 /nfs/dbraw/zinc/64/45/43/1053644543.db2.gz ZQLJQPNTGVGIIZ-UHFFFAOYSA-N 1 0 302.377 4.146 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CSc3ccccc32)C1 ZINC001324336849 1053646612 /nfs/dbraw/zinc/64/66/12/1053646612.db2.gz WJKQMGFIZXJBAC-RMXPPQQLSA-N 1 0 306.434 4.047 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2N2CCCC2)cc1 ZINC001324391286 1053649723 /nfs/dbraw/zinc/64/97/23/1053649723.db2.gz RWUPLTDJMWYIJH-UHFFFAOYSA-N 1 0 322.452 4.141 20 30 DIEDRO N#CCOc1cccc(C[NH2+]Cc2ccc(C3CCC3)cc2)c1 ZINC001324490411 1053656025 /nfs/dbraw/zinc/65/60/25/1053656025.db2.gz VHGJZUIEBDTGLI-UHFFFAOYSA-N 1 0 306.409 4.146 20 30 DIEDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001324924045 1053689769 /nfs/dbraw/zinc/68/97/69/1053689769.db2.gz JPSXTXFVCOAITE-KRWDZBQOSA-N 1 0 322.452 4.435 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2c[nH]c3c2cccc3CC)cc1 ZINC001200485469 1053695454 /nfs/dbraw/zinc/69/54/54/1053695454.db2.gz DAVCGHYUPCCJLJ-UHFFFAOYSA-N 1 0 302.421 4.044 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(/N=C/c3ccccc3)cc1)C2 ZINC001231200370 1053698563 /nfs/dbraw/zinc/69/85/63/1053698563.db2.gz NDPCNCDVEJGJHQ-ZTDNHJDPSA-N 1 0 320.436 4.441 20 30 DIEDRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1cccc(OCC#N)c1 ZINC001325672310 1053726389 /nfs/dbraw/zinc/72/63/89/1053726389.db2.gz JEPKZMDDUJNONL-HXUWFJFHSA-N 1 0 320.436 4.373 20 30 DIEDRO C=C(C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000620756683 1053729030 /nfs/dbraw/zinc/72/90/30/1053729030.db2.gz MPFPMGUQNWZEIR-UHFFFAOYSA-N 1 0 323.827 4.329 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c1 ZINC001231623883 1053806732 /nfs/dbraw/zinc/80/67/32/1053806732.db2.gz ZXQASYCKDKBGIZ-HXUWFJFHSA-N 1 0 323.436 4.043 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC001231623750 1053806782 /nfs/dbraw/zinc/80/67/82/1053806782.db2.gz UIDLYLSRMSIKHC-GOSISDBHSA-N 1 0 308.425 4.026 20 30 DIEDRO C=CCOc1cccc(C[N@H+](C)CCC(=O)c2cccs2)c1 ZINC001231624526 1053807350 /nfs/dbraw/zinc/80/73/50/1053807350.db2.gz ONQYUHOXZCRSKI-UHFFFAOYSA-N 1 0 315.438 4.018 20 30 DIEDRO C#Cc1cccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC001231658444 1053821255 /nfs/dbraw/zinc/82/12/55/1053821255.db2.gz WVPHGSXCOPHFAO-UHFFFAOYSA-N 1 0 312.416 4.265 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC001231658951 1053822760 /nfs/dbraw/zinc/82/27/60/1053822760.db2.gz BQTAVABVLXQKPE-UHFFFAOYSA-N 1 0 305.421 4.020 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC(c3ccc(OC)cc3)CC2)c1 ZINC001231659321 1053823981 /nfs/dbraw/zinc/82/39/81/1053823981.db2.gz JAJYACNVTPHBDP-UHFFFAOYSA-N 1 0 305.421 4.056 20 30 DIEDRO CC(C)Oc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1Cl ZINC001231713283 1053839160 /nfs/dbraw/zinc/83/91/60/1053839160.db2.gz RXPNIDWTXJGLQM-PHZGNYQRSA-N 1 0 318.848 4.394 20 30 DIEDRO CCc1ccc(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC001200646591 1053846470 /nfs/dbraw/zinc/84/64/70/1053846470.db2.gz FLDUSCONHCVEJS-UHFFFAOYSA-N 1 0 306.453 4.382 20 30 DIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCCCC1 ZINC000157494961 1053855576 /nfs/dbraw/zinc/85/55/76/1053855576.db2.gz CTKJPWDGNOKYNZ-UHFFFAOYSA-N 1 0 322.456 4.228 20 30 DIEDRO Cc1oc2ccccc2c1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000183911467 1053857099 /nfs/dbraw/zinc/85/70/99/1053857099.db2.gz WMAOPWOBBLHMML-AWEZNQCLSA-N 1 0 320.392 4.322 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(C(C)(C)C)CC2)cc1 ZINC001231818970 1053877124 /nfs/dbraw/zinc/87/71/24/1053877124.db2.gz RPPHDYONMOQSHS-UHFFFAOYSA-N 1 0 313.489 4.295 20 30 DIEDRO Clc1cccc(C#CC[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000157965322 1053877945 /nfs/dbraw/zinc/87/79/45/1053877945.db2.gz HUMKDFYBZNVMHS-OAHLLOKOSA-N 1 0 316.857 4.028 20 30 DIEDRO N#Cc1nc(Nc2cccc(C[NH+]3CCCC3)c2)sc1Cl ZINC001327956785 1053898775 /nfs/dbraw/zinc/89/87/75/1053898775.db2.gz JZWYZBBKKSTQIU-UHFFFAOYSA-N 1 0 318.833 4.008 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccnc(Cl)c2c1 ZINC001231976634 1053926261 /nfs/dbraw/zinc/92/62/61/1053926261.db2.gz APFRYKAEAGCRSP-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]c2cccc(OC)c12)Cc1ccccc1 ZINC001232037595 1053947989 /nfs/dbraw/zinc/94/79/89/1053947989.db2.gz YTOPFUOSIFUYGA-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO C=CCN(Cc1c(Cl)n(C)nc1C(F)F)C1CCCCC1 ZINC001232056990 1053953017 /nfs/dbraw/zinc/95/30/17/1053953017.db2.gz IATYQHYZYDRYSB-UHFFFAOYSA-N 1 0 317.811 4.332 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccc[nH]2)cc1OC ZINC001328764650 1053953373 /nfs/dbraw/zinc/95/33/73/1053953373.db2.gz OYJPMXFJDCQUAG-GFCCVEGCSA-N 1 0 320.820 4.092 20 30 DIEDRO CCC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001232078667 1053954783 /nfs/dbraw/zinc/95/47/83/1053954783.db2.gz DHRWYSQULVRUGB-QGZVFWFLSA-N 1 0 315.482 4.148 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1Cl ZINC000621377632 1053962179 /nfs/dbraw/zinc/96/21/79/1053962179.db2.gz CLOJBRJHFHZGBJ-LBPRGKRZSA-N 1 0 301.764 4.040 20 30 DIEDRO CC1(C)CCC2(CC[NH+](Cc3ccc(C#N)c(Cl)c3)CC2)O1 ZINC001232116039 1053964323 /nfs/dbraw/zinc/96/43/23/1053964323.db2.gz FROLEMFRUYHFIT-UHFFFAOYSA-N 1 0 318.848 4.135 20 30 DIEDRO Clc1cccc(C#CC[NH+]2CCC(Nc3ccccc3)CC2)c1 ZINC001329457792 1053989802 /nfs/dbraw/zinc/98/98/02/1053989802.db2.gz MWNPPGQEMQIUQQ-UHFFFAOYSA-N 1 0 324.855 4.268 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1ccc(C)cc1)c1ccc(Cl)cc1F ZINC001330028085 1054015758 /nfs/dbraw/zinc/01/57/58/1054015758.db2.gz SYOHDNIEWDZQPO-INIZCTEOSA-N 1 0 315.779 4.098 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC001330069841 1054018761 /nfs/dbraw/zinc/01/87/61/1054018761.db2.gz NVDSTTXNTYMORX-CABCVRRESA-N 1 0 300.446 4.015 20 30 DIEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1cc(F)cc(F)c1 ZINC001330807040 1054052147 /nfs/dbraw/zinc/05/21/47/1054052147.db2.gz WQPJVQMKXFHSSY-UHFFFAOYSA-N 1 0 312.363 4.152 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)c1 ZINC001330831306 1054053176 /nfs/dbraw/zinc/05/31/76/1054053176.db2.gz VKIFJLDETFWMOL-FQEVSTJZSA-N 1 0 306.409 4.220 20 30 DIEDRO CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232480060 1054056753 /nfs/dbraw/zinc/05/67/53/1054056753.db2.gz HOLMDHTXVQDOBW-KRWDZBQOSA-N 1 0 309.438 4.012 20 30 DIEDRO C=CC[N@@H+](Cc1cccnc1NC(=O)OC(C)(C)C)C(C)(C)C ZINC001232544806 1054068888 /nfs/dbraw/zinc/06/88/88/1054068888.db2.gz REOFCPPHYYOZBG-UHFFFAOYSA-N 1 0 319.449 4.215 20 30 DIEDRO CC[C@H](CCc1ccccc1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001331298549 1054071050 /nfs/dbraw/zinc/07/10/50/1054071050.db2.gz VYSMEFSUYWYPFM-LJQANCHMSA-N 1 0 308.425 4.090 20 30 DIEDRO CSCC1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000295273131 1054081425 /nfs/dbraw/zinc/08/14/25/1054081425.db2.gz VUGXNGRBIIIRDB-HPUBIQBYSA-N 1 0 318.486 4.161 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(Br)c(C(F)(F)F)c1 ZINC001232663110 1054093981 /nfs/dbraw/zinc/09/39/81/1054093981.db2.gz SFKROKKDTYWKLT-UHFFFAOYSA-N 1 0 308.141 4.086 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCC(F)F)cc1OC ZINC001355300623 1054106726 /nfs/dbraw/zinc/10/67/26/1054106726.db2.gz BVEFUYDELDRZLB-UHFFFAOYSA-N 1 0 319.779 4.048 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)cc1 ZINC000168014225 1054117746 /nfs/dbraw/zinc/11/77/46/1054117746.db2.gz OMTGQGYGOUWBMD-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001232844824 1054129835 /nfs/dbraw/zinc/12/98/35/1054129835.db2.gz FJCPBQBVHACSCC-OAHLLOKOSA-N 1 0 312.438 4.008 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001232888828 1054140461 /nfs/dbraw/zinc/14/04/61/1054140461.db2.gz SIDLDWZIDDBOPC-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO N#Cc1ccc(F)cc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001232890160 1054140499 /nfs/dbraw/zinc/14/04/99/1054140499.db2.gz YHUXPYGLJNJWGC-UHFFFAOYSA-N 1 0 320.411 4.177 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(F)ccc1C#N ZINC001232891910 1054141540 /nfs/dbraw/zinc/14/15/40/1054141540.db2.gz TUAWQYYABRFONG-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CCC[N@H+](Cc1ccc(Br)c(C#N)c1)[C@@H](C)CC ZINC001232892751 1054141847 /nfs/dbraw/zinc/14/18/47/1054141847.db2.gz WCEPONIFYUEKNN-LBPRGKRZSA-N 1 0 309.251 4.331 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cncc(-c2ccccc2)c1 ZINC001232904246 1054146723 /nfs/dbraw/zinc/14/67/23/1054146723.db2.gz XXIPIXVZMITKOC-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001232926559 1054151032 /nfs/dbraw/zinc/15/10/32/1054151032.db2.gz TVXYBDDJJUEBMJ-KRWDZBQOSA-N 1 0 309.438 4.012 20 30 DIEDRO C(#CC1CC[NH+](Cc2ccc3ncoc3c2)CC1)c1ccccc1 ZINC001232943716 1054152541 /nfs/dbraw/zinc/15/25/41/1054152541.db2.gz ICIDXGSITVCTMI-UHFFFAOYSA-N 1 0 316.404 4.092 20 30 DIEDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000848566802 1054152850 /nfs/dbraw/zinc/15/28/50/1054152850.db2.gz JFVYZTGKAZWOQJ-CQSZACIVSA-N 1 0 322.408 4.002 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)CCO2 ZINC000848566800 1054153162 /nfs/dbraw/zinc/15/31/62/1054153162.db2.gz JDOHZWPARQDCPZ-OAHLLOKOSA-N 1 0 318.420 4.223 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(Cl)cs3)CCC2)cc1 ZINC000848567290 1054153320 /nfs/dbraw/zinc/15/33/20/1054153320.db2.gz FPMOKCMHKXHEOC-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC001438208519 1054154214 /nfs/dbraw/zinc/15/42/14/1054154214.db2.gz UVERNTMTJYHKDC-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C1CCC(F)(F)CC1 ZINC000848574767 1054156139 /nfs/dbraw/zinc/15/61/39/1054156139.db2.gz HYRMDBYIAVMMQB-UONOGXRCSA-N 1 0 322.399 4.281 20 30 DIEDRO FC(F)(F)Sc1cccc(C[NH+]2CCC(S)CC2)c1 ZINC001232948285 1054156202 /nfs/dbraw/zinc/15/62/02/1054156202.db2.gz RFNBGWOPBQVLFM-UHFFFAOYSA-N 1 0 307.406 4.193 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c(C#N)c1 ZINC001232966268 1054158444 /nfs/dbraw/zinc/15/84/44/1054158444.db2.gz JHVWDJLIBVZSRC-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3ccc(C)cc3C#N)CC2)cc1 ZINC001232966304 1054159037 /nfs/dbraw/zinc/15/90/37/1054159037.db2.gz KNABMZVITFCLAI-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(C)cc3C#N)C2)c1 ZINC001232968351 1054161026 /nfs/dbraw/zinc/16/10/26/1054161026.db2.gz HHXFXXJNLFNZAU-GOSISDBHSA-N 1 0 320.436 4.255 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2C#N)cc1 ZINC001232966797 1054163610 /nfs/dbraw/zinc/16/36/10/1054163610.db2.gz WGRCHZHXVYDLDE-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001334049764 1054180818 /nfs/dbraw/zinc/18/08/18/1054180818.db2.gz SQDGEJFHMKMSKI-ZWKOTPCHSA-N 1 0 317.521 4.093 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001233083055 1054182429 /nfs/dbraw/zinc/18/24/29/1054182429.db2.gz SESALXRNRAWDNQ-LJQANCHMSA-N 1 0 323.465 4.018 20 30 DIEDRO Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC001233081182 1054182603 /nfs/dbraw/zinc/18/26/03/1054182603.db2.gz SAZCHIPMWBRVQN-FQEVSTJZSA-N 1 0 320.436 4.219 20 30 DIEDRO COc1ccc(C2=CC[N@H+](Cc3ccc(C#N)cc3C)CC2)cc1 ZINC001233083739 1054182647 /nfs/dbraw/zinc/18/26/47/1054182647.db2.gz ZALRXGRGXNTYEI-UHFFFAOYSA-N 1 0 318.420 4.165 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc2cccnc21 ZINC001233082409 1054183072 /nfs/dbraw/zinc/18/30/72/1054183072.db2.gz AEVWSFYTWDHISR-UHFFFAOYSA-N 1 0 301.393 4.047 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001233083448 1054183194 /nfs/dbraw/zinc/18/31/94/1054183194.db2.gz LEAJQCQSEDWGRH-UHFFFAOYSA-N 1 0 314.432 4.130 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001233083154 1054183305 /nfs/dbraw/zinc/18/33/05/1054183305.db2.gz YHRHLZBGTBKGOM-UHFFFAOYSA-N 1 0 320.436 4.048 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001233080319 1054183791 /nfs/dbraw/zinc/18/37/91/1054183791.db2.gz IFGAKZCRWRJAIK-KRWDZBQOSA-N 1 0 322.452 4.328 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001233083172 1054183870 /nfs/dbraw/zinc/18/38/70/1054183870.db2.gz ZTZIBIVECDUFAI-UHFFFAOYSA-N 1 0 315.420 4.118 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001233083346 1054183900 /nfs/dbraw/zinc/18/39/00/1054183900.db2.gz GXJQWULKLVUJEK-UHFFFAOYSA-N 1 0 315.420 4.118 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233082794 1054184075 /nfs/dbraw/zinc/18/40/75/1054184075.db2.gz HLJPQSSHNMIWOJ-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cnc1C ZINC001233162225 1054194200 /nfs/dbraw/zinc/19/42/00/1054194200.db2.gz XWOLVLIYGWZLJU-UHFFFAOYSA-N 1 0 319.452 4.025 20 30 DIEDRO Cc1cnc(C2CC[NH+](CCCCC3(C#N)CCC3)CC2)s1 ZINC001334882832 1054203671 /nfs/dbraw/zinc/20/36/71/1054203671.db2.gz ILEITQWFOSIBFH-UHFFFAOYSA-N 1 0 317.502 4.495 20 30 DIEDRO Cc1nc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(C)s1 ZINC001335202913 1054210621 /nfs/dbraw/zinc/21/06/21/1054210621.db2.gz LEIGZWZNOPKSRS-UHFFFAOYSA-N 1 0 311.454 4.011 20 30 DIEDRO N#CC1CCC(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC001335800294 1054224623 /nfs/dbraw/zinc/22/46/23/1054224623.db2.gz HKZKCJNFLOGPBH-NRXISQOPSA-N 1 0 304.384 4.084 20 30 DIEDRO C[N@H+](CCSc1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC001472997432 1054253411 /nfs/dbraw/zinc/25/34/11/1054253411.db2.gz IHXUCXQXKSWWDQ-UHFFFAOYSA-N 1 0 316.857 4.436 20 30 DIEDRO C=CC[N@@H+](Cc1cn2cccc(Cl)c2n1)C1CCCCC1 ZINC001233424269 1054271911 /nfs/dbraw/zinc/27/19/11/1054271911.db2.gz GCWIFHYTTGZOJZ-UHFFFAOYSA-N 1 0 303.837 4.308 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC001338111815 1054296842 /nfs/dbraw/zinc/29/68/42/1054296842.db2.gz GUSAYGWOVYZRDU-MAUKXSAKSA-N 1 0 311.425 4.214 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cccc(OCC#N)c1)c1cccc(Cl)c1 ZINC001338649021 1054311524 /nfs/dbraw/zinc/31/15/24/1054311524.db2.gz IQHPYTZUZALVKW-AWEZNQCLSA-N 1 0 314.816 4.136 20 30 DIEDRO C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)Cc1cccs1 ZINC001338650249 1054312397 /nfs/dbraw/zinc/31/23/97/1054312397.db2.gz WJBPDEBLAVHPLO-LSJNQWAISA-N 1 0 310.466 4.140 20 30 DIEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccc(C#N)c(Cl)c1 ZINC000848989040 1054324863 /nfs/dbraw/zinc/32/48/63/1054324863.db2.gz VATYBEJBKQCPMJ-ZDUSSCGKSA-N 1 0 320.868 4.040 20 30 DIEDRO CC(C)(CCC#N)C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849028363 1054347102 /nfs/dbraw/zinc/34/71/02/1054347102.db2.gz IAXKOVINZJJMBN-UHFFFAOYSA-N 1 0 312.461 4.270 20 30 DIEDRO Cc1ccc(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)o1 ZINC000849058330 1054367737 /nfs/dbraw/zinc/36/77/37/1054367737.db2.gz URYSINKHWSCCSX-UHFFFAOYSA-N 1 0 311.429 4.085 20 30 DIEDRO C=CCCCCCCNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000849076304 1054375040 /nfs/dbraw/zinc/37/50/40/1054375040.db2.gz DYFHHRXYXJTOTF-UHFFFAOYSA-N 1 0 309.841 4.421 20 30 DIEDRO C[NH+](C)C1CCC(Oc2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC001233860685 1054377192 /nfs/dbraw/zinc/37/71/92/1054377192.db2.gz GJMSHCRISPMHSH-UHFFFAOYSA-N 1 0 320.436 4.477 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000849085876 1054378494 /nfs/dbraw/zinc/37/84/94/1054378494.db2.gz ZKEONOIRRRSRGY-GOSISDBHSA-N 1 0 321.399 4.015 20 30 DIEDRO COCCC(C)(C)C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849083440 1054378926 /nfs/dbraw/zinc/37/89/26/1054378926.db2.gz SLJPSBCQEXFLQS-UHFFFAOYSA-N 1 0 317.477 4.003 20 30 DIEDRO C=C1CC(C)(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC001441610570 1054393958 /nfs/dbraw/zinc/39/39/58/1054393958.db2.gz JBVWVJRCUDARSH-UHFFFAOYSA-N 1 0 312.457 4.213 20 30 DIEDRO FCCCCC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000671240234 1054456831 /nfs/dbraw/zinc/45/68/31/1054456831.db2.gz UKFTYZBJWZMOHC-AOOOYVTPSA-N 1 0 309.269 4.189 20 30 DIEDRO C=CC[C@@H](CCCC)Oc1c(F)cc(C[NH+](C)C)cc1OC ZINC001234240025 1054467542 /nfs/dbraw/zinc/46/75/42/1054467542.db2.gz AKXJLRDDHJLHPG-HNNXBMFYSA-N 1 0 309.425 4.410 20 30 DIEDRO C=C(C)C[C@@H](Oc1c(F)cc(C[NH+](C)C)cc1OC)C(=C)C ZINC001234242058 1054469219 /nfs/dbraw/zinc/46/92/19/1054469219.db2.gz XTCWYPMCWNVWHG-MRXNPFEDSA-N 1 0 307.409 4.186 20 30 DIEDRO CC(C)C[N@H+](CCCOc1cccc(C#N)c1)CC(C)(C)C ZINC001473276805 1054476706 /nfs/dbraw/zinc/47/67/06/1054476706.db2.gz NKVWLOBYXKKBPB-UHFFFAOYSA-N 1 0 302.462 4.331 20 30 DIEDRO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000072659106 1054488471 /nfs/dbraw/zinc/48/84/71/1054488471.db2.gz FQMSRIFCRPIQHY-GOSISDBHSA-N 1 0 321.468 4.147 20 30 DIEDRO Cc1cc(Br)ccc1C[NH2+]CC(C)(C)CCC#N ZINC000174375413 1054508330 /nfs/dbraw/zinc/50/83/30/1054508330.db2.gz KNPCJDVJPRLVIJ-UHFFFAOYSA-N 1 0 309.251 4.177 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000174393661 1054508831 /nfs/dbraw/zinc/50/88/31/1054508831.db2.gz VKRDQFNUAOTVCJ-LJQANCHMSA-N 1 0 314.473 4.390 20 30 DIEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473302466 1054526733 /nfs/dbraw/zinc/52/67/33/1054526733.db2.gz QPLYXDPVUNHJPG-CQSZACIVSA-N 1 0 308.372 4.028 20 30 DIEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC=CCC1 ZINC001473302518 1054528241 /nfs/dbraw/zinc/52/82/41/1054528241.db2.gz RLYAAWRCYSFTQD-INIZCTEOSA-N 1 0 307.359 4.345 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000185358755 1054530888 /nfs/dbraw/zinc/53/08/88/1054530888.db2.gz ZEWSSASDTLYDTP-CQSZACIVSA-N 1 0 315.363 4.487 20 30 DIEDRO C=C(C)[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000623495487 1054609434 /nfs/dbraw/zinc/60/94/34/1054609434.db2.gz DRVWIVVHZOSOEP-YOEHRIQHSA-N 1 0 308.416 4.044 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C/C=C/c2ccccc2)c1 ZINC000073012053 1054615394 /nfs/dbraw/zinc/61/53/94/1054615394.db2.gz WBPZSHHUDNMEKJ-BQHJZSHBSA-N 1 0 306.409 4.171 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC(C)(C)F)cc1OC ZINC000623565566 1054620558 /nfs/dbraw/zinc/62/05/58/1054620558.db2.gz RCTSRALDQDKSSM-UHFFFAOYSA-N 1 0 315.816 4.141 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001450234400 1054641985 /nfs/dbraw/zinc/64/19/85/1054641985.db2.gz FNVJEAFGQYQOEJ-UYAOXDASSA-N 1 0 322.537 4.317 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001450406053 1054648214 /nfs/dbraw/zinc/64/82/14/1054648214.db2.gz FDAVLZUZEQZMTF-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)C1CC1 ZINC000178681039 1054656013 /nfs/dbraw/zinc/65/60/13/1054656013.db2.gz BEAVNVJDNVJWOA-SFHVURJKSA-N 1 0 324.424 4.366 20 30 DIEDRO CCCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001450808024 1054662086 /nfs/dbraw/zinc/66/20/86/1054662086.db2.gz XXULRAPCOVVECB-IEBWSBKVSA-N 1 0 316.489 4.126 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000179645802 1054692446 /nfs/dbraw/zinc/69/24/46/1054692446.db2.gz WOARTISSYZFFFU-KBPBESRZSA-N 1 0 307.434 4.108 20 30 DIEDRO C=C(C)CN(CC)Cc1nc2ccccc2cc1Br ZINC001235380634 1054711053 /nfs/dbraw/zinc/71/10/53/1054711053.db2.gz QXUBCZZTANLTQS-UHFFFAOYSA-N 1 0 319.246 4.395 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(O)cc(OCC)c1 ZINC001235397553 1054713430 /nfs/dbraw/zinc/71/34/30/1054713430.db2.gz GOHNIHSVLDZVOE-UHFFFAOYSA-N 1 0 311.425 4.369 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cccc(Cl)c2)CCCC1(C)C ZINC001473433700 1054715249 /nfs/dbraw/zinc/71/52/49/1054715249.db2.gz XQKIAFXVGXIYAT-INIZCTEOSA-N 1 0 320.864 4.345 20 30 DIEDRO C=CC[C@H]1[N@H+](C[C@H]2Cc3cc(OC)ccc3O2)CCCC1(C)C ZINC001473432739 1054721139 /nfs/dbraw/zinc/72/11/39/1054721139.db2.gz OUJQPLXPYNEFMM-IEBWSBKVSA-N 1 0 315.457 4.065 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000180025321 1054726273 /nfs/dbraw/zinc/72/62/73/1054726273.db2.gz UASRRAIMJXAQBL-UHFFFAOYSA-N 1 0 316.470 4.161 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3ccccc3CC#N)CC2)c1 ZINC001235525593 1054737943 /nfs/dbraw/zinc/73/79/43/1054737943.db2.gz PQAPLKGPOZYTMW-UHFFFAOYSA-N 1 0 320.436 4.141 20 30 DIEDRO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001453633395 1054740624 /nfs/dbraw/zinc/74/06/24/1054740624.db2.gz BXFFDOZWBGBVHX-QGZVFWFLSA-N 1 0 318.505 4.036 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)CCCCC1 ZINC001473825541 1054761189 /nfs/dbraw/zinc/76/11/89/1054761189.db2.gz WTEDZTQRLVRXDD-UHFFFAOYSA-N 1 0 323.436 4.226 20 30 DIEDRO N#CCC[N@H+](Cc1cccc2c1NCC2)C1CCCCCCC1 ZINC001235664435 1054763092 /nfs/dbraw/zinc/76/30/92/1054763092.db2.gz SXMUJMDSEXTWKI-UHFFFAOYSA-N 1 0 311.473 4.483 20 30 DIEDRO N#Cc1cc(F)c(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c(F)c1 ZINC001235665443 1054763799 /nfs/dbraw/zinc/76/37/99/1054763799.db2.gz VQGIYBCYUWUWGX-OAHLLOKOSA-N 1 0 304.384 4.239 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001349624559 1054776205 /nfs/dbraw/zinc/77/62/05/1054776205.db2.gz ILEVMORAMKBXIL-CYBMUJFWSA-N 1 0 310.363 4.120 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cnc(OC)c(Cl)c1 ZINC001235700542 1054782634 /nfs/dbraw/zinc/78/26/34/1054782634.db2.gz JESNRJDWUBUNMN-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO C=C(C)CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC001474154505 1054791292 /nfs/dbraw/zinc/79/12/92/1054791292.db2.gz GCAMRLBIBJQFKE-UHFFFAOYSA-N 1 0 320.177 4.106 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)c(F)c2)C1 ZINC001235774869 1054804756 /nfs/dbraw/zinc/80/47/56/1054804756.db2.gz JJGYQCKYXVNQJI-KRWDZBQOSA-N 1 0 323.411 4.250 20 30 DIEDRO Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001235787636 1054807437 /nfs/dbraw/zinc/80/74/37/1054807437.db2.gz FLRSYVAMIOQHBX-AWEZNQCLSA-N 1 0 321.262 4.192 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)c1ccc(Br)cc1 ZINC001474547407 1054820882 /nfs/dbraw/zinc/82/08/82/1054820882.db2.gz ZSSNJRQZDJSCHX-HRCADAONSA-N 1 0 306.247 4.148 20 30 DIEDRO C=CCCN(Cc1ccccc1)Cc1ccnc(OC)c1Cl ZINC001235841229 1054819041 /nfs/dbraw/zinc/81/90/41/1054819041.db2.gz CFSQNJPPCRKHCY-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO CCCCCCCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235841283 1054820381 /nfs/dbraw/zinc/82/03/81/1054820381.db2.gz CWNPMGBCPZUAMQ-LJQANCHMSA-N 1 0 318.505 4.077 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)c1ccc(Br)cc1 ZINC001474547415 1054824009 /nfs/dbraw/zinc/82/40/09/1054824009.db2.gz ZSSNJRQZDJSCHX-PMPSAXMXSA-N 1 0 306.247 4.148 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](Cc1ccccc1)OC ZINC001474575939 1054827782 /nfs/dbraw/zinc/82/77/82/1054827782.db2.gz GYVQUHKTCWPGRU-NHCUHLMSSA-N 1 0 309.453 4.021 20 30 DIEDRO C=CCCCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000849110660 1054834228 /nfs/dbraw/zinc/83/42/28/1054834228.db2.gz NTPGTTLNHHHTAX-JTQLQIEISA-N 1 0 300.233 4.135 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC#Cc2ccccc2)cc1 ZINC000849100158 1054837249 /nfs/dbraw/zinc/83/72/49/1054837249.db2.gz ZLSGKISATVNIDF-MRXNPFEDSA-N 1 0 305.425 4.188 20 30 DIEDRO COc1ccc(-c2ccc(F)c(C#N)c2)cc1C[NH+]1CCCCC1 ZINC001235898022 1054838081 /nfs/dbraw/zinc/83/80/81/1054838081.db2.gz ZWXZFPKXBRNUDP-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#Cc1cc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC001235900755 1054839489 /nfs/dbraw/zinc/83/94/89/1054839489.db2.gz XGLXLYGUYWVYOA-PMACEKPBSA-N 1 0 324.399 4.151 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC ZINC000624038149 1054863523 /nfs/dbraw/zinc/86/35/23/1054863523.db2.gz SYUJSESVCVAEPX-HNNXBMFYSA-N 1 0 302.462 4.158 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(OCOC)nc2)cc1 ZINC001235964961 1054873961 /nfs/dbraw/zinc/87/39/61/1054873961.db2.gz PHICGMYFVKKKFW-IBGZPJMESA-N 1 0 324.424 4.054 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(OCOC)nc2)cc1 ZINC001235964964 1054874193 /nfs/dbraw/zinc/87/41/93/1054874193.db2.gz PHICGMYFVKKKFW-LJQANCHMSA-N 1 0 324.424 4.054 20 30 DIEDRO Cc1ccc(CC#N)c(-c2cccc(C[NH+]3CCCCC3)c2F)n1 ZINC001236005120 1054891194 /nfs/dbraw/zinc/89/11/94/1054891194.db2.gz LHLOSSTZWZBMTN-UHFFFAOYSA-N 1 0 323.415 4.248 20 30 DIEDRO Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2F)ncc1C#N ZINC001236005518 1054892335 /nfs/dbraw/zinc/89/23/35/1054892335.db2.gz SUNHAGZJDVGFIY-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO ON=Cc1ccccc1-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236019125 1054901356 /nfs/dbraw/zinc/90/13/56/1054901356.db2.gz VBFLECCPXYCRGV-UHFFFAOYSA-N 1 0 312.388 4.287 20 30 DIEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182020975 1054954002 /nfs/dbraw/zinc/95/40/02/1054954002.db2.gz CHBKESDVSWKYFX-OAHLLOKOSA-N 1 0 312.388 4.359 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](CCCCCO)Cc1ccc(C#N)cc1 ZINC001236144262 1054968653 /nfs/dbraw/zinc/96/86/53/1054968653.db2.gz NOLUBLHSBJPJCN-SFHVURJKSA-N 1 0 322.452 4.284 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC001236195028 1054993611 /nfs/dbraw/zinc/99/36/11/1054993611.db2.gz YATKPGBKEQVJIH-OAQYLSRUSA-N 1 0 315.420 4.419 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1c(C)noc1C ZINC000182512847 1054994170 /nfs/dbraw/zinc/99/41/70/1054994170.db2.gz SSPBLNDIMIRINM-QGZVFWFLSA-N 1 0 311.429 4.334 20 30 DIEDRO Cc1cc(C#N)cnc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236234931 1055023249 /nfs/dbraw/zinc/02/32/49/1055023249.db2.gz PRBAWHIQFBFLGE-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cnc3[nH]cc(C#N)c3c2)c1 ZINC001236326339 1055058707 /nfs/dbraw/zinc/05/87/07/1055058707.db2.gz ARXDHXRAGFGTLQ-UHFFFAOYSA-N 1 0 322.387 4.082 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cnc3c(C#N)c[nH]c3c2)c1 ZINC001236330405 1055060232 /nfs/dbraw/zinc/06/02/32/1055060232.db2.gz YTKBQMFYRXXGLB-UHFFFAOYSA-N 1 0 322.387 4.082 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(c3ccc(N)cc3)CC2)cc1 ZINC001236336013 1055063545 /nfs/dbraw/zinc/06/35/45/1055063545.db2.gz OJXRPVPSOGFDJO-UHFFFAOYSA-N 1 0 322.452 4.213 20 30 DIEDRO C=CCc1cccc(C[NH+]2CCC(c3ccc(N)cc3)CC2)c1O ZINC001236336644 1055064576 /nfs/dbraw/zinc/06/45/76/1055064576.db2.gz SWDXVMBIMJGXGA-UHFFFAOYSA-N 1 0 322.452 4.083 20 30 DIEDRO C=CCCCCCN(Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236369034 1055077871 /nfs/dbraw/zinc/07/78/71/1055077871.db2.gz YAPJRRSWSLVOOP-UHFFFAOYSA-N 1 0 304.453 4.126 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(CC#N)cc3)CC2)C1 ZINC000184746732 1055081701 /nfs/dbraw/zinc/08/17/01/1055081701.db2.gz ZCEXALLABHCGEV-OXJNMPFZSA-N 1 0 311.473 4.208 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2nc(-c3cccs3)ccc2C#N)c1 ZINC001236416353 1055103477 /nfs/dbraw/zinc/10/34/77/1055103477.db2.gz DUZFGYXIIIWSML-UHFFFAOYSA-N 1 0 319.433 4.410 20 30 DIEDRO Cc1c(C#N)c(-c2cccc(C[NH+](C)C)c2)nc2ccccc12 ZINC001236419030 1055105561 /nfs/dbraw/zinc/10/55/61/1055105561.db2.gz ZFENDRAGTXCQKI-UHFFFAOYSA-N 1 0 301.393 4.144 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(C3(C#N)CC3)cn2)cc1 ZINC001236425621 1055108559 /nfs/dbraw/zinc/10/85/59/1055108559.db2.gz JZVBVCFCSLMBLG-UHFFFAOYSA-N 1 0 305.425 4.049 20 30 DIEDRO COc1cc(-c2ccc(C[NH2+]CC(C)C)cc2)ccc1CC#N ZINC001236436301 1055112036 /nfs/dbraw/zinc/11/20/36/1055112036.db2.gz JCSSDOHAWVQKPK-UHFFFAOYSA-N 1 0 308.425 4.174 20 30 DIEDRO Cc1cc(C#N)cc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001236472331 1055131668 /nfs/dbraw/zinc/13/16/68/1055131668.db2.gz SDRYLBSNHHJJHO-UXHICEINSA-N 1 0 315.420 4.082 20 30 DIEDRO Cc1cnc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C#N ZINC001236471591 1055131689 /nfs/dbraw/zinc/13/16/89/1055131689.db2.gz BNVIIADPWDWAEL-UXHICEINSA-N 1 0 315.420 4.082 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cc(C#N)ccc2OC)nc1 ZINC001236535923 1055166467 /nfs/dbraw/zinc/16/64/67/1055166467.db2.gz HOZMNEXSGYEAIU-LJQANCHMSA-N 1 0 321.424 4.176 20 30 DIEDRO N#Cc1ccc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])c(F)c1 ZINC001236534821 1055166604 /nfs/dbraw/zinc/16/66/04/1055166604.db2.gz MSSYWFUESJZGCX-PMACEKPBSA-N 1 0 324.399 4.151 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cc(C#N)ccc2OC)nc1 ZINC001236535922 1055166754 /nfs/dbraw/zinc/16/67/54/1055166754.db2.gz HOZMNEXSGYEAIU-IBGZPJMESA-N 1 0 321.424 4.176 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C)c(-c2cc(C#N)ccc2OC)c1 ZINC001236545443 1055174589 /nfs/dbraw/zinc/17/45/89/1055174589.db2.gz UPMDALDYBGUQAN-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(OCC)c(Br)c1 ZINC001236671268 1055221932 /nfs/dbraw/zinc/22/19/32/1055221932.db2.gz VCNUNCWZIPJPFB-UHFFFAOYSA-N 1 0 310.235 4.022 20 30 DIEDRO C=CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C(C)(C)C ZINC001236671135 1055222937 /nfs/dbraw/zinc/22/29/37/1055222937.db2.gz SLHWCGDLQXYJCM-UHFFFAOYSA-N 1 0 312.251 4.250 20 30 DIEDRO CC[C@H]([NH2+]CCOc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC001168533266 1055239713 /nfs/dbraw/zinc/23/97/13/1055239713.db2.gz YBCXJIJJOYNNTD-FQEVSTJZSA-N 1 0 322.452 4.283 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC001236756709 1055250671 /nfs/dbraw/zinc/25/06/71/1055250671.db2.gz PIDYXTDIMNPFMY-UHFFFAOYSA-N 1 0 309.450 4.202 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1ccnc(Cl)c1)C(C)C ZINC000764874513 1055280326 /nfs/dbraw/zinc/28/03/26/1055280326.db2.gz HRIAQGUQEKITSB-RDJZCZTQSA-N 1 0 321.896 4.084 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1ccnc(Cl)c1)C(C)C ZINC000764874512 1055281133 /nfs/dbraw/zinc/28/11/33/1055281133.db2.gz HRIAQGUQEKITSB-NVXWUHKLSA-N 1 0 321.896 4.084 20 30 DIEDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765011956 1055312242 /nfs/dbraw/zinc/31/22/42/1055312242.db2.gz FJTBYUSRBUFQLZ-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO C=CC[N@H+](Cc1ccc(-n2ccnc2)cc1Cl)C(C)(C)C ZINC001236919335 1055314468 /nfs/dbraw/zinc/31/44/68/1055314468.db2.gz NOXUECLYDKMEOD-UHFFFAOYSA-N 1 0 303.837 4.312 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(-c2ccncc2)c1 ZINC000765015134 1055315509 /nfs/dbraw/zinc/31/55/09/1055315509.db2.gz PSMKLVDBCSMEFS-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236990206 1055323318 /nfs/dbraw/zinc/32/33/18/1055323318.db2.gz NGMOECPZSSJXKS-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(OC(C)C)c2)cc1 ZINC000765094333 1055327728 /nfs/dbraw/zinc/32/77/28/1055327728.db2.gz DSYVHSNACLHYAO-KRWDZBQOSA-N 1 0 323.436 4.337 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(OCC)cc1O ZINC001237041184 1055347652 /nfs/dbraw/zinc/34/76/52/1055347652.db2.gz GUGNSKYGNNNPHP-UHFFFAOYSA-N 1 0 311.425 4.369 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(O)(CC)CC)cc1 ZINC000765473369 1055401017 /nfs/dbraw/zinc/40/10/17/1055401017.db2.gz YAJZIHPIRUTDKU-AWEZNQCLSA-N 1 0 311.853 4.020 20 30 DIEDRO C=CC[N@H+](Cc1[nH]nc2c1cccc2Br)C(C)(C)C ZINC001237302141 1055424102 /nfs/dbraw/zinc/42/41/02/1055424102.db2.gz MZJCFDLCXKTEOX-UHFFFAOYSA-N 1 0 322.250 4.112 20 30 DIEDRO COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001237306846 1055424335 /nfs/dbraw/zinc/42/43/35/1055424335.db2.gz KLAIJVYIRFKYIZ-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO CCCCCCCCN(C)Cc1nc(C(=O)OCC)cs1 ZINC001237347399 1055433391 /nfs/dbraw/zinc/43/33/91/1055433391.db2.gz ISYNWHUENYDCTA-UHFFFAOYSA-N 1 0 312.479 4.112 20 30 DIEDRO Cn1cc(C[NH+]2CCC3(CCCC3)CC2)c2cc(C#N)ccc21 ZINC001237468465 1055455351 /nfs/dbraw/zinc/45/53/51/1055455351.db2.gz NHCJTCMSQHQXQU-UHFFFAOYSA-N 1 0 307.441 4.206 20 30 DIEDRO CC[N@H+](Cc1cn(C)c2ccc(C#N)cc12)Cc1ccccc1 ZINC001237466203 1055455786 /nfs/dbraw/zinc/45/57/86/1055455786.db2.gz KXFYWFDQRWSIGM-UHFFFAOYSA-N 1 0 303.409 4.072 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ccccc21 ZINC001237466999 1055455976 /nfs/dbraw/zinc/45/59/76/1055455976.db2.gz QIQCVLLLQNVFLI-OAHLLOKOSA-N 1 0 315.420 4.169 20 30 DIEDRO Cc1ccc(C[N@@H+](C)Cc2cn(C)c3ccc(C#N)cc23)cc1C ZINC001237473278 1055459450 /nfs/dbraw/zinc/45/94/50/1055459450.db2.gz VJUARJMLIWVEIT-UHFFFAOYSA-N 1 0 317.436 4.299 20 30 DIEDRO Cn1cc(C[N@H+](C)Cc2cccc(Cl)c2)c2cc(C#N)ccc21 ZINC001237470076 1055459711 /nfs/dbraw/zinc/45/97/11/1055459711.db2.gz UAFQBRFBGPRRJE-UHFFFAOYSA-N 1 0 323.827 4.335 20 30 DIEDRO N#Cc1cc(CN2CCC(c3cccs3)CC2)c(F)cc1F ZINC001237525768 1055466330 /nfs/dbraw/zinc/46/63/30/1055466330.db2.gz IXXCNPGFZCIHIO-UHFFFAOYSA-N 1 0 318.392 4.278 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc3c(F)cccc13)CC2 ZINC001237521200 1055467231 /nfs/dbraw/zinc/46/72/31/1055467231.db2.gz JAAAZNDIEICFTM-UHFFFAOYSA-N 1 0 316.379 4.409 20 30 DIEDRO N#Cc1cc(CN2CCC[C@@H]2c2ccc(F)cc2)c(F)cc1F ZINC001237524111 1055467578 /nfs/dbraw/zinc/46/75/78/1055467578.db2.gz GBYIHGWSAAIRDX-GOSISDBHSA-N 1 0 316.326 4.313 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)cc2ccccc21 ZINC001621064015 1055477393 /nfs/dbraw/zinc/47/73/93/1055477393.db2.gz IEICNZHRYYVNDJ-UHFFFAOYSA-N 1 0 316.404 4.318 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)C1 ZINC001620867232 1055494082 /nfs/dbraw/zinc/49/40/82/1055494082.db2.gz ZZZKUAKORXECIJ-QXAKKESOSA-N 1 0 323.484 4.446 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001237664004 1055496125 /nfs/dbraw/zinc/49/61/25/1055496125.db2.gz BYEVWHZNYNZSPV-INIZCTEOSA-N 1 0 306.409 4.185 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC1 ZINC001237665414 1055499504 /nfs/dbraw/zinc/49/95/04/1055499504.db2.gz LZFZNVNUQQJYME-MRXNPFEDSA-N 1 0 306.409 4.185 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cc(OC)cc(OC)c1O ZINC001237676518 1055502764 /nfs/dbraw/zinc/50/27/64/1055502764.db2.gz PFESTFWBCBSUQV-UHFFFAOYSA-N 1 0 309.450 4.202 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001620884838 1055510014 /nfs/dbraw/zinc/51/00/14/1055510014.db2.gz YJABTSAINMIHKK-MRXNPFEDSA-N 1 0 305.421 4.267 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C2(Cc3ccccc3)CCCC2)cc1 ZINC001620896134 1055520936 /nfs/dbraw/zinc/52/09/36/1055520936.db2.gz BARVJQDTMYYRTF-UHFFFAOYSA-N 1 0 319.448 4.344 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001237752088 1055523054 /nfs/dbraw/zinc/52/30/54/1055523054.db2.gz CAWGSISPVZSGKT-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001237751861 1055523393 /nfs/dbraw/zinc/52/33/93/1055523393.db2.gz AAWQTGNWOZHETH-UHFFFAOYSA-N 1 0 306.812 4.316 20 30 DIEDRO C[N@H+](CC/C=C/c1cccnc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237754441 1055524816 /nfs/dbraw/zinc/52/48/16/1055524816.db2.gz VLTTWBXLWRBDDH-GORDUTHDSA-N 1 0 311.816 4.142 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(OC)CCCCC2)cc1Cl ZINC001620907091 1055531057 /nfs/dbraw/zinc/53/10/57/1055531057.db2.gz AJFDTEXAQQVMSK-UHFFFAOYSA-N 1 0 323.864 4.344 20 30 DIEDRO C=CCCCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC001620911043 1055535466 /nfs/dbraw/zinc/53/54/66/1055535466.db2.gz SPMPMSSLGVVSLB-UHFFFAOYSA-N 1 0 322.246 4.171 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC001620916777 1055539554 /nfs/dbraw/zinc/53/95/54/1055539554.db2.gz DWTUVWOYBMEKSH-LPHOPBHVSA-N 1 0 313.466 4.486 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC001620916776 1055539670 /nfs/dbraw/zinc/53/96/70/1055539670.db2.gz DWTUVWOYBMEKSH-APWZRJJASA-N 1 0 313.466 4.486 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C1CCOCC1 ZINC001237901743 1055554469 /nfs/dbraw/zinc/55/44/69/1055554469.db2.gz FDQFKQCZLYBXIQ-UHFFFAOYSA-N 1 0 320.436 4.084 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)cc1 ZINC001620942643 1055555141 /nfs/dbraw/zinc/55/51/41/1055555141.db2.gz PYLWEOOHVQIFJV-UHFFFAOYSA-N 1 0 323.342 4.496 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000186160187 1055556271 /nfs/dbraw/zinc/55/62/71/1055556271.db2.gz RVGDPOWQJXOWJS-UHFFFAOYSA-N 1 0 316.351 4.100 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(CC)CCCCC2)cc1OC ZINC001620943214 1055557556 /nfs/dbraw/zinc/55/75/56/1055557556.db2.gz NOSPFZWRCCYDTN-UHFFFAOYSA-N 1 0 303.446 4.463 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001620943053 1055558028 /nfs/dbraw/zinc/55/80/28/1055558028.db2.gz GZDHPJMXOFFFJV-DBVUQKKJSA-N 1 0 315.501 4.486 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CSc2ccccc21 ZINC001620948443 1055563997 /nfs/dbraw/zinc/56/39/97/1055563997.db2.gz GIOCRDXJKRGUBC-INIZCTEOSA-N 1 0 308.450 4.154 20 30 DIEDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)cc1C#N ZINC001620950099 1055564695 /nfs/dbraw/zinc/56/46/95/1055564695.db2.gz PPKVIAKBPSZDTM-ICSRJNTNSA-N 1 0 320.436 4.240 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC001620955252 1055577415 /nfs/dbraw/zinc/57/74/15/1055577415.db2.gz XYTKBWUWTWTMFT-ZACQAIPSSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cccc(N2CCCCC2)n1 ZINC001238005647 1055581855 /nfs/dbraw/zinc/58/18/55/1055581855.db2.gz XIJCJWFLSDSUDX-UHFFFAOYSA-N 1 0 321.468 4.260 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000671659852 1055587713 /nfs/dbraw/zinc/58/77/13/1055587713.db2.gz LIEMOICSZOWVEJ-IBGZPJMESA-N 1 0 315.363 4.307 20 30 DIEDRO CCCCCCC[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC001168563941 1055624321 /nfs/dbraw/zinc/62/43/21/1055624321.db2.gz QWASPFCVKSZMAQ-QGZVFWFLSA-N 1 0 305.462 4.487 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(O)c(OCc2ccccc2)c1 ZINC001238252123 1055630315 /nfs/dbraw/zinc/63/03/15/1055630315.db2.gz OXWYPBNIVGEBLM-UHFFFAOYSA-N 1 0 309.409 4.145 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@]2(CCN(CCCC(F)(F)F)C2)C1 ZINC001278254129 1055694417 /nfs/dbraw/zinc/69/44/17/1055694417.db2.gz PXQLNMJNCGJTGJ-INIZCTEOSA-N 1 0 318.427 4.083 20 30 DIEDRO C=C[C@@](C)(CC)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001596332545 1055697767 /nfs/dbraw/zinc/69/77/67/1055697767.db2.gz VTLAADJHAJAFDK-FQEVSTJZSA-N 1 0 314.473 4.459 20 30 DIEDRO C=C[C@](C)(CC)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001596332547 1055697969 /nfs/dbraw/zinc/69/79/69/1055697969.db2.gz VTLAADJHAJAFDK-HXUWFJFHSA-N 1 0 314.473 4.459 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001620968496 1055721428 /nfs/dbraw/zinc/72/14/28/1055721428.db2.gz YSMDIXWIUHVXMN-RTWAWAEBSA-N 1 0 321.464 4.330 20 30 DIEDRO CCc1cc(C[N@@H+]2CCCC3(CC(F)C3)CC2)ccc1C#N ZINC001238769568 1055744011 /nfs/dbraw/zinc/74/40/11/1055744011.db2.gz UUNVQFGRGNAGGB-UHFFFAOYSA-N 1 0 300.421 4.225 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)ccc1C#N ZINC001238767102 1055745121 /nfs/dbraw/zinc/74/51/21/1055745121.db2.gz RZWGHYRAMKWGJN-IBGZPJMESA-N 1 0 320.436 4.119 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC001566161924 1055745986 /nfs/dbraw/zinc/74/59/86/1055745986.db2.gz XLHMBQGUKSRHQU-NKAIQICCSA-N 1 0 308.510 4.236 20 30 DIEDRO Cc1cc(F)cc(Cl)c1CN1CCc2cc(C#N)ccc2C1 ZINC001238780731 1055749675 /nfs/dbraw/zinc/74/96/75/1055749675.db2.gz LBFSKPKCOKTTSM-UHFFFAOYSA-N 1 0 314.791 4.218 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)ccc1C#N ZINC001238778180 1055751482 /nfs/dbraw/zinc/75/14/82/1055751482.db2.gz KQSXJWWNDZNAOR-SFHVURJKSA-N 1 0 308.400 4.249 20 30 DIEDRO C=C(CC(C)C)C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC001566263406 1055755902 /nfs/dbraw/zinc/75/59/02/1055755902.db2.gz TWEGNFSSPCQQNT-UHFFFAOYSA-N 1 0 322.518 4.021 20 30 DIEDRO CC(C)[C@@H]1CCCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001168579456 1055757016 /nfs/dbraw/zinc/75/70/16/1055757016.db2.gz JIQRVUCVDVMOKC-KRWDZBQOSA-N 1 0 324.428 4.009 20 30 DIEDRO C[N@@H+]1CCc2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2C1 ZINC001238844609 1055765839 /nfs/dbraw/zinc/76/58/39/1055765839.db2.gz FNSZUQRZHNUYOK-UHFFFAOYSA-N 1 0 316.326 4.232 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001566474470 1055774754 /nfs/dbraw/zinc/77/47/54/1055774754.db2.gz BRTYJHAEXOTFHO-OYTYHKKUSA-N 1 0 308.510 4.234 20 30 DIEDRO C=C[C@@H](CC)CC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC001566730760 1055778996 /nfs/dbraw/zinc/77/89/96/1055778996.db2.gz IDCNMZSRRWPNAN-HNNXBMFYSA-N 1 0 300.446 4.199 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001597046505 1055781109 /nfs/dbraw/zinc/78/11/09/1055781109.db2.gz HOGJIVGONOEFQU-QGZVFWFLSA-N 1 0 310.526 4.316 20 30 DIEDRO C=C(CC)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001597223779 1055804239 /nfs/dbraw/zinc/80/42/39/1055804239.db2.gz XWTGTBUMIXRJEL-UHFFFAOYSA-N 1 0 314.473 4.034 20 30 DIEDRO Cc1cc(C[NH2+][C@@](C)(Cc2ccccc2)C2CC2)ccc1C#N ZINC001620973926 1055805885 /nfs/dbraw/zinc/80/58/85/1055805885.db2.gz VPAFLKZZZDOHNQ-NRFANRHFSA-N 1 0 304.437 4.368 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCc2ccccc2C1 ZINC001620974258 1055810936 /nfs/dbraw/zinc/81/09/36/1055810936.db2.gz HJGRFACZWPHHAL-UNMCSNQZSA-N 1 0 316.448 4.473 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](CCC)Cc2ccccc2)cc1 ZINC001649060396 1055812621 /nfs/dbraw/zinc/81/26/21/1055812621.db2.gz MTOFAUQRZWSSPD-FQEVSTJZSA-N 1 0 307.437 4.200 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(-c2cnc(C#N)c(F)c2)nc1 ZINC001238992241 1055814703 /nfs/dbraw/zinc/81/47/03/1055814703.db2.gz GUONXEGYXCYWTJ-IBGZPJMESA-N 1 0 324.403 4.091 20 30 DIEDRO N#CC1(c2ccccc2-c2coc3ccccc23)CC[NH2+]CC1 ZINC001239064666 1055837350 /nfs/dbraw/zinc/83/73/50/1055837350.db2.gz OAHVJPPPAQNMLA-UHFFFAOYSA-N 1 0 302.377 4.245 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC001239190295 1055845490 /nfs/dbraw/zinc/84/54/90/1055845490.db2.gz FLVJZTARZKEMGU-HNNXBMFYSA-N 1 0 317.477 4.203 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N1CCC([NH3+])CC1 ZINC001239257542 1055855335 /nfs/dbraw/zinc/85/53/35/1055855335.db2.gz CFMSRGCMUIHEGH-UHFFFAOYSA-N 1 0 311.514 4.040 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC[C@]12CCC[NH2+]CC2 ZINC001239273026 1055856996 /nfs/dbraw/zinc/85/69/96/1055856996.db2.gz HNVGPTDNQWYBDY-HKUYNNGSSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N1CC2(CC([NH3+])C2)C1 ZINC001239286429 1055858419 /nfs/dbraw/zinc/85/84/19/1055858419.db2.gz INHYDBZNKIEZSX-UHFFFAOYSA-N 1 0 323.525 4.040 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001239281710 1055858761 /nfs/dbraw/zinc/85/87/61/1055858761.db2.gz UCFZFOVOKYAVHL-BZSNNMDCSA-N 1 0 323.525 4.038 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001239309531 1055861824 /nfs/dbraw/zinc/86/18/24/1055861824.db2.gz PUSKSHIWROOKHR-FUHWJXTLSA-N 1 0 323.525 4.052 20 30 DIEDRO N#Cc1ccc(/C=C/c2ccc(C[NH+]3CCCC3)c(F)c2)cc1 ZINC001239304259 1055862380 /nfs/dbraw/zinc/86/23/80/1055862380.db2.gz NOWKQLVVJBMHJE-ZZXKWVIFSA-N 1 0 306.384 4.464 20 30 DIEDRO CCCCCCCCOC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC001239312807 1055863821 /nfs/dbraw/zinc/86/38/21/1055863821.db2.gz ZTLVLUFVZTXSDF-UHFFFAOYSA-N 1 0 304.434 4.241 20 30 DIEDRO CCCCCCCCCOC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001239312382 1055865273 /nfs/dbraw/zinc/86/52/73/1055865273.db2.gz SPAGKPPVMHOQHF-AWEZNQCLSA-N 1 0 323.437 4.398 20 30 DIEDRO CCCCCCCCOC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001239317754 1055868551 /nfs/dbraw/zinc/86/85/51/1055868551.db2.gz HQCLFMBCLXBBDO-MSOLQXFVSA-N 1 0 318.461 4.176 20 30 DIEDRO CCCCCCCCCOC(=O)N1CCCC12CC[NH2+]CC2 ZINC001239331690 1055873695 /nfs/dbraw/zinc/87/36/95/1055873695.db2.gz KTPKSKGGRQVYKW-UHFFFAOYSA-N 1 0 310.482 4.092 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(NC)nc2F)cc1 ZINC001239436312 1055889515 /nfs/dbraw/zinc/88/95/15/1055889515.db2.gz JNXOJDVYDWLYRW-KRWDZBQOSA-N 1 0 311.404 4.252 20 30 DIEDRO C=C[C@@](C)(CC)C(=O)N[C@H](CC[NH+](CC)CC)c1ccccc1 ZINC001539914120 1055930641 /nfs/dbraw/zinc/93/06/41/1055930641.db2.gz GODJZYMPMPXDPK-QUCCMNQESA-N 1 0 316.489 4.178 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC001616522104 1055943950 /nfs/dbraw/zinc/94/39/50/1055943950.db2.gz FCLJLMYSRZFGIF-LJQANCHMSA-N 1 0 312.388 4.207 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CCc2cccc3ccccc32)cc1 ZINC001620782678 1055951602 /nfs/dbraw/zinc/95/16/02/1055951602.db2.gz CKFMEEFUXSJATD-UHFFFAOYSA-N 1 0 315.416 4.184 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001620494089 1055955661 /nfs/dbraw/zinc/95/56/61/1055955661.db2.gz VUDOYFJGNPEPGX-DOVSJBTNSA-N 1 0 302.421 4.355 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(CC#N)cc1 ZINC001620984672 1055956691 /nfs/dbraw/zinc/95/66/91/1055956691.db2.gz AEYQWMLJTGVSAA-UHFFFAOYSA-N 1 0 316.404 4.204 20 30 DIEDRO C=CCC1([NH2+]CCC(=O)Nc2cccc(F)c2C)CCCCC1 ZINC001620499412 1055957874 /nfs/dbraw/zinc/95/78/74/1055957874.db2.gz OTUKMZBYWPBJDI-UHFFFAOYSA-N 1 0 318.436 4.331 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001620995446 1055966058 /nfs/dbraw/zinc/96/60/58/1055966058.db2.gz NARNVWYFPZAPPT-QRVBRYPASA-N 1 0 322.537 4.458 20 30 DIEDRO C=CCCSCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC001620998112 1055968194 /nfs/dbraw/zinc/96/81/94/1055968194.db2.gz KZQPBHSZDDYJFD-UHFFFAOYSA-N 1 0 301.455 4.247 20 30 DIEDRO C=CCCC1(C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CCCC1 ZINC001621004156 1055970869 /nfs/dbraw/zinc/97/08/69/1055970869.db2.gz LIUPMMWDBJQWSO-YESZJQIVSA-N 1 0 307.478 4.080 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)CCC2CCCCC2)ccc1C#N ZINC001620794085 1055972113 /nfs/dbraw/zinc/97/21/13/1055972113.db2.gz KRJJSDGHGJGUAO-OAHLLOKOSA-N 1 0 300.446 4.405 20 30 DIEDRO C=CCC1([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CCCC1 ZINC001621006530 1055972823 /nfs/dbraw/zinc/97/28/23/1055972823.db2.gz LRCWIHYXXMPDBY-UHFFFAOYSA-N 1 0 313.420 4.049 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)C1 ZINC001621010244 1055975891 /nfs/dbraw/zinc/97/58/91/1055975891.db2.gz FFIDZHGINFSRDN-VVLHAWIVSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC001620646879 1055976574 /nfs/dbraw/zinc/97/65/74/1055976574.db2.gz VDBGUAMNTBSULY-AWEZNQCLSA-N 1 0 308.853 4.264 20 30 DIEDRO Cc1cc(C)cc(C2CC[NH+](CCCSCC#N)CC2)c1 ZINC001620647192 1055977410 /nfs/dbraw/zinc/97/74/10/1055977410.db2.gz HDOUMGCONIMZHQ-UHFFFAOYSA-N 1 0 302.487 4.130 20 30 DIEDRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000186206274 1055977908 /nfs/dbraw/zinc/97/79/08/1055977908.db2.gz QZPGZKWAKLACQA-FQEVSTJZSA-N 1 0 320.436 4.373 20 30 DIEDRO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](C)CCC#N ZINC001621123383 1055987626 /nfs/dbraw/zinc/98/76/26/1055987626.db2.gz AEEIGTJEYHBKMV-ZDUSSCGKSA-N 1 0 309.251 4.211 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001621028508 1055992082 /nfs/dbraw/zinc/99/20/82/1055992082.db2.gz FXRZPDUZSHMCDE-PKOBYXMFSA-N 1 0 300.490 4.089 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC001621028716 1055992632 /nfs/dbraw/zinc/99/26/32/1055992632.db2.gz NKPGGGPRJRHJCZ-CQSZACIVSA-N 1 0 303.446 4.101 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)cc1OC ZINC001620798260 1055993652 /nfs/dbraw/zinc/99/36/52/1055993652.db2.gz YVXKWIJQXRPKDB-HLLBOEOZSA-N 1 0 303.446 4.174 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cc(C)c2ncccc2c1)c1ccncc1 ZINC001620800139 1055994146 /nfs/dbraw/zinc/99/41/46/1055994146.db2.gz YSINRKQBOYNWNO-IBGZPJMESA-N 1 0 303.409 4.345 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC001620799115 1055995007 /nfs/dbraw/zinc/99/50/07/1055995007.db2.gz LCRKSZJNABJUQX-UHFFFAOYSA-N 1 0 322.452 4.123 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2Br)C[C@@H](C)C1 ZINC001620806829 1056001901 /nfs/dbraw/zinc/00/19/01/1056001901.db2.gz ZMTZXFPUHAENMV-JYAVWHMHSA-N 1 0 321.262 4.235 20 30 DIEDRO C[C@@H]1CC([NH2+]Cc2cc(C#N)ccc2Br)C[C@@H](C)C1 ZINC001620806830 1056002789 /nfs/dbraw/zinc/00/27/89/1056002789.db2.gz ZMTZXFPUHAENMV-RYUDHWBXSA-N 1 0 321.262 4.235 20 30 DIEDRO CCC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC001620811673 1056005754 /nfs/dbraw/zinc/00/57/54/1056005754.db2.gz DUWWREGQHCTIDI-HXUWFJFHSA-N 1 0 322.452 4.458 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1nc(-c2cccs2)ccc1C#N ZINC001239683263 1056025182 /nfs/dbraw/zinc/02/51/82/1056025182.db2.gz SQJCUADYAFFKTK-UHFFFAOYSA-N 1 0 319.433 4.410 20 30 DIEDRO Cc1c(C#N)c(-c2ccccc2C[NH+](C)C)nc2ccccc12 ZINC001239683587 1056026449 /nfs/dbraw/zinc/02/64/49/1056026449.db2.gz UBHZHZCORNTASD-UHFFFAOYSA-N 1 0 301.393 4.144 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001610276692 1056072140 /nfs/dbraw/zinc/07/21/40/1056072140.db2.gz FCAKEWOQWBDUCG-ZWKOTPCHSA-N 1 0 310.526 4.362 20 30 DIEDRO C=C1CCC(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001540757659 1056072858 /nfs/dbraw/zinc/07/28/58/1056072858.db2.gz NMYDEFYYUNNEKO-UHFFFAOYSA-N 1 0 312.457 4.357 20 30 DIEDRO C=CC(C)(C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001610450212 1056074827 /nfs/dbraw/zinc/07/48/27/1056074827.db2.gz BCGCSDCEFHLTSP-FUHWJXTLSA-N 1 0 316.489 4.080 20 30 DIEDRO C=CCc1cc(C[NH2+]C2(c3ccccc3)CCC2)cc(OC)c1O ZINC000113331286 1056076589 /nfs/dbraw/zinc/07/65/89/1056076589.db2.gz ARCPJBFISUKFLE-UHFFFAOYSA-N 1 0 323.436 4.298 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C)c1ccc(F)cc1F ZINC000186322382 1056101507 /nfs/dbraw/zinc/10/15/07/1056101507.db2.gz CRKURTDFGIWSQP-GOSISDBHSA-N 1 0 300.352 4.386 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000186323005 1056102167 /nfs/dbraw/zinc/10/21/67/1056102167.db2.gz QMNYXPSOIBGAOQ-UHFFFAOYSA-N 1 0 300.352 4.170 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001542186178 1056107856 /nfs/dbraw/zinc/10/78/56/1056107856.db2.gz NYZLFLAYVSTROZ-ROUUACIJSA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001611178518 1056121522 /nfs/dbraw/zinc/12/15/22/1056121522.db2.gz UHMXSJINFFMWMI-MSOLQXFVSA-N 1 0 310.526 4.362 20 30 DIEDRO N#Cc1c(F)cc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)cc1F ZINC001239920515 1056160969 /nfs/dbraw/zinc/16/09/69/1056160969.db2.gz KQBDUMALKRQPGF-UHFFFAOYSA-N 1 0 322.358 4.151 20 30 DIEDRO N#Cc1c(F)cc(-c2ccc([C@H]3CCC[NH2+]3)c(F)c2)cc1F ZINC001239930353 1056165682 /nfs/dbraw/zinc/16/56/82/1056165682.db2.gz CIEGDPHXFQAYFJ-QGZVFWFLSA-N 1 0 302.299 4.067 20 30 DIEDRO C=C[C@@H]([NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1)c1ccccc1 ZINC001168632049 1056256350 /nfs/dbraw/zinc/25/63/50/1056256350.db2.gz XIZIBMCEVVOVCX-TYPHKJRUSA-N 1 0 323.436 4.432 20 30 DIEDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1cc(F)ccc1C#N)C1CC1 ZINC001612285091 1056265983 /nfs/dbraw/zinc/26/59/83/1056265983.db2.gz HXMWYOKSEQDHFY-FQEVSTJZSA-N 1 0 323.415 4.020 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001584186490 1056279115 /nfs/dbraw/zinc/27/91/15/1056279115.db2.gz SYYCNRMZRDSWHT-SGWGQVFISA-N 1 0 320.521 4.284 20 30 DIEDRO CC(C)c1ccc(C#N)c(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC001240044897 1056279618 /nfs/dbraw/zinc/27/96/18/1056279618.db2.gz JLYWLNAQRQAZKE-UHFFFAOYSA-N 1 0 305.425 4.339 20 30 DIEDRO N#CC1(c2ccc(-c3ccc(C[NH+]4CCCC4)cc3)nc2)CCC1 ZINC001240046001 1056280419 /nfs/dbraw/zinc/28/04/19/1056280419.db2.gz XUNPTBLXZBZFDI-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC001543703143 1056282453 /nfs/dbraw/zinc/28/24/53/1056282453.db2.gz DFURFIZVGZZQKP-FQEVSTJZSA-N 1 0 322.452 4.011 20 30 DIEDRO C[C@@H]1C[C@H](Nc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000301545482 1056333951 /nfs/dbraw/zinc/33/39/51/1056333951.db2.gz OSKFTLOOMHQMRZ-CRAIPNDOSA-N 1 0 323.415 4.162 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000554089980 1056343414 /nfs/dbraw/zinc/34/34/14/1056343414.db2.gz KBIAWEGYDCCOTQ-GMNCBBECSA-N 1 0 310.441 4.026 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)c(F)c2)nc1 ZINC001240149898 1056354327 /nfs/dbraw/zinc/35/43/27/1056354327.db2.gz LZQIFEOCZFNGNT-LJQANCHMSA-N 1 0 309.388 4.306 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)c(F)c2)nc1 ZINC001240149894 1056354777 /nfs/dbraw/zinc/35/47/77/1056354777.db2.gz LZQIFEOCZFNGNT-IBGZPJMESA-N 1 0 309.388 4.306 20 30 DIEDRO N#Cc1ccc(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)cc1F ZINC001240162150 1056357993 /nfs/dbraw/zinc/35/79/93/1056357993.db2.gz DDYFVFULOVZWOC-UHFFFAOYSA-N 1 0 316.326 4.238 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(C#N)c(F)c2)ccc1F ZINC001240162289 1056359624 /nfs/dbraw/zinc/35/96/24/1056359624.db2.gz JJXCEZJVVKHWFG-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO COc1ccc(-c2cccc(C[NH+]3CCCCC3)c2)c(CC#N)c1 ZINC001240174891 1056363829 /nfs/dbraw/zinc/36/38/29/1056363829.db2.gz STQJGSOBJHSQNA-UHFFFAOYSA-N 1 0 320.436 4.414 20 30 DIEDRO N#Cc1ccc(OCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001613257544 1056364125 /nfs/dbraw/zinc/36/41/25/1056364125.db2.gz OHIZWCWZVXYINI-UHFFFAOYSA-N 1 0 306.409 4.123 20 30 DIEDRO N#Cc1cc(-c2ccc(C(F)(F)F)cc2F)cc(C2C[NH2+]C2)c1 ZINC001240346003 1056439014 /nfs/dbraw/zinc/43/90/14/1056439014.db2.gz XZODKZJVJLHXSI-UHFFFAOYSA-N 1 0 320.289 4.070 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC(=O)OCc1ccccc1)c1ccccc1 ZINC001168656307 1056439244 /nfs/dbraw/zinc/43/92/44/1056439244.db2.gz BIDOKNGPGAMDHO-FQEVSTJZSA-N 1 0 323.436 4.417 20 30 DIEDRO CCCCOc1cc(F)ccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240351441 1056441998 /nfs/dbraw/zinc/44/19/98/1056441998.db2.gz QTXKZQNHQHSBOA-UHFFFAOYSA-N 1 0 324.399 4.230 20 30 DIEDRO COc1c2ccccc2ccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240351597 1056442467 /nfs/dbraw/zinc/44/24/67/1056442467.db2.gz UVQGSRCWDIVUDZ-UHFFFAOYSA-N 1 0 314.388 4.074 20 30 DIEDRO COc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c2ccccc12 ZINC001240351761 1056442546 /nfs/dbraw/zinc/44/25/46/1056442546.db2.gz ZUUFHMLCZVHPOT-UHFFFAOYSA-N 1 0 314.388 4.074 20 30 DIEDRO Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ccc1OC(C)C ZINC001240360465 1056445344 /nfs/dbraw/zinc/44/53/44/1056445344.db2.gz GGSOQUDEVFEYEA-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO N#Cc1cc(-c2ccc(-c3nccs3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240360661 1056445884 /nfs/dbraw/zinc/44/58/84/1056445884.db2.gz DSNDDXKIUVRHAK-UHFFFAOYSA-N 1 0 317.417 4.036 20 30 DIEDRO CCCCOc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1F ZINC001240361418 1056445936 /nfs/dbraw/zinc/44/59/36/1056445936.db2.gz YWTMZGSENRYAKN-UHFFFAOYSA-N 1 0 324.399 4.230 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1 ZINC001168656787 1056447731 /nfs/dbraw/zinc/44/77/31/1056447731.db2.gz HFZWBEOOFVUHIP-JYJNAYRXSA-N 1 0 313.363 4.393 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ncc3c(c2C#N)CCCC3)cc1 ZINC001240368289 1056453390 /nfs/dbraw/zinc/45/33/90/1056453390.db2.gz PYAXGDHWLBUCEX-UHFFFAOYSA-N 1 0 319.452 4.387 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(C#N)c(CC#N)c2)cc1 ZINC001240370419 1056456798 /nfs/dbraw/zinc/45/67/98/1056456798.db2.gz KDPBHWZELXERPC-UHFFFAOYSA-N 1 0 303.409 4.179 20 30 DIEDRO N#CCc1cccc(C2=CCC[N@H+](Cc3ccccc3)C2)c1F ZINC001240387638 1056469085 /nfs/dbraw/zinc/46/90/85/1056469085.db2.gz QZEYXSNGZAUHNA-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO CCC[N@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC001615170057 1056470022 /nfs/dbraw/zinc/47/00/22/1056470022.db2.gz WBPROCVUSYZYQM-PXNSSMCTSA-N 1 0 314.473 4.366 20 30 DIEDRO O/N=C1/CCc2cc(C3=CCC[N@H+](Cc4ccccc4)C3)ccc21 ZINC001240388438 1056471839 /nfs/dbraw/zinc/47/18/39/1056471839.db2.gz DNKJOOATCWJZKR-DQRAZIAOSA-N 1 0 318.420 4.100 20 30 DIEDRO Cc1ccccc1OCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC001615208087 1056476673 /nfs/dbraw/zinc/47/66/73/1056476673.db2.gz ADNQCQQDOJDDGB-KRWDZBQOSA-N 1 0 308.425 4.329 20 30 DIEDRO N#Cc1cc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)ccc1Cl ZINC001240400605 1056482892 /nfs/dbraw/zinc/48/28/92/1056482892.db2.gz JZZSAYLNBAIJPG-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO C#CC[N@H+](C[C@H]1CCC2(CCCC2)O1)[C@H]1CCc2ccccc21 ZINC001615265769 1056484668 /nfs/dbraw/zinc/48/46/68/1056484668.db2.gz WWHYHRAHWUGSSI-QUCCMNQESA-N 1 0 309.453 4.101 20 30 DIEDRO C#CC[N@H+](C[C@H]1CCCC12CCOCC2)[C@@H]1CCc2ccccc21 ZINC001615272073 1056484947 /nfs/dbraw/zinc/48/49/47/1056484947.db2.gz HVWBXFMBJVCMRX-TZIWHRDSSA-N 1 0 323.480 4.206 20 30 DIEDRO CCC[N@H+](CCc1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC001615252276 1056485032 /nfs/dbraw/zinc/48/50/32/1056485032.db2.gz XYCAVFWMXNALCN-JOCHJYFZSA-N 1 0 318.464 4.370 20 30 DIEDRO N#Cc1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)ccc1Cl ZINC001240404508 1056485670 /nfs/dbraw/zinc/48/56/70/1056485670.db2.gz YQSNQGRUQJGRHA-UHFFFAOYSA-N 1 0 321.811 4.023 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](CCOC)c1ccccc1 ZINC001615331778 1056494579 /nfs/dbraw/zinc/49/45/79/1056494579.db2.gz CGECRYIMXFFRMH-NRFANRHFSA-N 1 0 320.436 4.324 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H](O)c1cccc(C#N)c1 ZINC001615337468 1056496828 /nfs/dbraw/zinc/49/68/28/1056496828.db2.gz LLQOLDFBVOOQIB-VQTJNVASSA-N 1 0 308.425 4.065 20 30 DIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)CC1CCC(C)(C)CC1 ZINC001615410953 1056508466 /nfs/dbraw/zinc/50/84/66/1056508466.db2.gz JCACWVHXNLPUKP-UHFFFAOYSA-N 1 0 314.473 4.223 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921818825 1056514810 /nfs/dbraw/zinc/51/48/10/1056514810.db2.gz YYOYHVFGXKFZIQ-PIGZYNQJSA-N 1 0 300.402 4.172 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC3(CCCCC3)C2)cc1 ZINC001615454315 1056515109 /nfs/dbraw/zinc/51/51/09/1056515109.db2.gz SXKSDRRGIHFILO-UHFFFAOYSA-N 1 0 324.468 4.043 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1)CC1CCCCC1 ZINC001615505869 1056524026 /nfs/dbraw/zinc/52/40/26/1056524026.db2.gz RMNJLIOVHLRPTH-UHFFFAOYSA-N 1 0 300.446 4.002 20 30 DIEDRO CCC[N@H+](Cc1cccn1C(F)F)Cc1ccc(C#N)cc1 ZINC001621180865 1056525592 /nfs/dbraw/zinc/52/55/92/1056525592.db2.gz FFYHWRRQEXUCGB-UHFFFAOYSA-N 1 0 303.356 4.167 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cs1 ZINC000921840718 1056538106 /nfs/dbraw/zinc/53/81/06/1056538106.db2.gz PLVKBQLLZOCCCV-INIZCTEOSA-N 1 0 310.422 4.156 20 30 DIEDRO CC(C)([NH2+][C@@H]1Cc2cccc(Cl)c2C1)c1ccc(C#N)cc1 ZINC001168686218 1056555498 /nfs/dbraw/zinc/55/54/98/1056555498.db2.gz WQMVVAZBNWTZDP-MRXNPFEDSA-N 1 0 310.828 4.204 20 30 DIEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001615660308 1056556234 /nfs/dbraw/zinc/55/62/34/1056556234.db2.gz IUGLGGIDYQSMFH-HIFRSBDPSA-N 1 0 311.347 4.057 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000619611093 1056561287 /nfs/dbraw/zinc/56/12/87/1056561287.db2.gz GBIALIASHPHXGJ-WMZOPIPTSA-N 1 0 323.415 4.217 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001615678879 1056563236 /nfs/dbraw/zinc/56/32/36/1056563236.db2.gz MNEZZINWMNYKGM-MRXNPFEDSA-N 1 0 310.482 4.064 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001615934880 1056600083 /nfs/dbraw/zinc/60/00/83/1056600083.db2.gz FAZOSGZVHRZEBS-IAGOWNOFSA-N 1 0 322.493 4.207 20 30 DIEDRO C=C(CC)C[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001616012558 1056604985 /nfs/dbraw/zinc/60/49/85/1056604985.db2.gz AZNNAYMHUZOODJ-CRAIPNDOSA-N 1 0 310.482 4.016 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2C)C1(CC)CC ZINC001615998959 1056605734 /nfs/dbraw/zinc/60/57/34/1056605734.db2.gz MDDFXBIKFMKABB-RBUKOAKNSA-N 1 0 314.473 4.282 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2C)C1(CC)CC ZINC001615998958 1056605909 /nfs/dbraw/zinc/60/59/09/1056605909.db2.gz MDDFXBIKFMKABB-OALUTQOASA-N 1 0 314.473 4.282 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCc2ccc(C#N)cc2)C1(CC)CC ZINC001615999676 1056606024 /nfs/dbraw/zinc/60/60/24/1056606024.db2.gz TURRKPOXXJSTEV-RTBURBONSA-N 1 0 314.473 4.016 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+]CC#Cc1ccccc1Cl ZINC001616295775 1056630376 /nfs/dbraw/zinc/63/03/76/1056630376.db2.gz WNWNTPJWDNICFI-UHFFFAOYSA-N 1 0 313.828 4.225 20 30 DIEDRO CC(C)CC[C@@H]1CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001616309438 1056631664 /nfs/dbraw/zinc/63/16/64/1056631664.db2.gz QGCBYUZHUZXLGW-SFHVURJKSA-N 1 0 300.446 4.228 20 30 DIEDRO CCCCCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC001585916418 1056639996 /nfs/dbraw/zinc/63/99/96/1056639996.db2.gz DEUJSZAJRLYULM-KRWDZBQOSA-N 1 0 310.526 4.364 20 30 DIEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001616549060 1056675931 /nfs/dbraw/zinc/67/59/31/1056675931.db2.gz NBNNWGMAVQXENI-CQSZACIVSA-N 1 0 321.262 4.189 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccc3c(c2)CCC3)C2CC2)cc1 ZINC001616570675 1056678868 /nfs/dbraw/zinc/67/88/68/1056678868.db2.gz XJVDWZUOSCYNMQ-UHFFFAOYSA-N 1 0 302.421 4.212 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC001616569579 1056679804 /nfs/dbraw/zinc/67/98/04/1056679804.db2.gz MOBWNZYXQIMPNG-SFHVURJKSA-N 1 0 320.436 4.076 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc(C(F)F)cc2)CC[NH2+]CC1 ZINC001240770995 1056692140 /nfs/dbraw/zinc/69/21/40/1056692140.db2.gz GXCUCDZPYRYVAN-UHFFFAOYSA-N 1 0 312.363 4.436 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC001616683146 1056700032 /nfs/dbraw/zinc/70/00/32/1056700032.db2.gz FISPBFRBHCZJFZ-MRXNPFEDSA-N 1 0 312.457 4.269 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccccc1 ZINC001616739191 1056708217 /nfs/dbraw/zinc/70/82/17/1056708217.db2.gz VUZLFIAHVMDQKR-QGZVFWFLSA-N 1 0 303.446 4.405 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001616808997 1056722543 /nfs/dbraw/zinc/72/25/43/1056722543.db2.gz ULYORYKWGIBEPS-ZDUSSCGKSA-N 1 0 300.352 4.304 20 30 DIEDRO CC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC001616841850 1056727074 /nfs/dbraw/zinc/72/70/74/1056727074.db2.gz LYYQPHAOLHBBSB-IBGZPJMESA-N 1 0 313.828 4.441 20 30 DIEDRO N#Cc1cc(Br)ccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000311631993 1056741935 /nfs/dbraw/zinc/74/19/35/1056741935.db2.gz PBAJGRCFBVLLCE-LRDDRELGSA-N 1 0 319.246 4.085 20 30 DIEDRO N#Cc1cc(Br)ccc1CN1CCC[C@H]2CCC[C@H]21 ZINC000311631995 1056743220 /nfs/dbraw/zinc/74/32/20/1056743220.db2.gz PBAJGRCFBVLLCE-MLGOLLRUSA-N 1 0 319.246 4.085 20 30 DIEDRO N#Cc1ccnc(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC001617094852 1056775935 /nfs/dbraw/zinc/77/59/35/1056775935.db2.gz BYYKVXCLHIKMDV-SFHVURJKSA-N 1 0 319.433 4.088 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC ZINC001617133959 1056782357 /nfs/dbraw/zinc/78/23/57/1056782357.db2.gz UEYIIKFTELIGMB-YWZLYKJASA-N 1 0 308.425 4.301 20 30 DIEDRO COCCCC[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1 ZINC000922075405 1056783260 /nfs/dbraw/zinc/78/32/60/1056783260.db2.gz FFPXTWIJCGBQEO-GOSISDBHSA-N 1 0 314.454 4.267 20 30 DIEDRO CCCCCCC[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001617282925 1056807302 /nfs/dbraw/zinc/80/73/02/1056807302.db2.gz GOLYLGMUMAWBSU-MRXNPFEDSA-N 1 0 312.498 4.192 20 30 DIEDRO CCCCCCCCCC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001617311638 1056811325 /nfs/dbraw/zinc/81/13/25/1056811325.db2.gz SBRROIJYDPKHMJ-IPMKNSEASA-N 1 0 322.537 4.316 20 30 DIEDRO C=CCCCCC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC001617311239 1056812317 /nfs/dbraw/zinc/81/23/17/1056812317.db2.gz QPJSVOWAFVSEOY-UHFFFAOYSA-N 1 0 309.457 4.103 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCC1(C)C ZINC001617604209 1056856105 /nfs/dbraw/zinc/85/61/05/1056856105.db2.gz OPWIDVCUSDDIRW-MRXNPFEDSA-N 1 0 306.381 4.301 20 30 DIEDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001617638034 1056859708 /nfs/dbraw/zinc/85/97/08/1056859708.db2.gz VHUUJIXAVQKDPZ-LJQANCHMSA-N 1 0 320.477 4.048 20 30 DIEDRO C[N@H+](Cc1ccc(Br)cc1C#N)[C@H]1CCC(C)(C)C1 ZINC001617687940 1056869608 /nfs/dbraw/zinc/86/96/08/1056869608.db2.gz WIHQQRPZMIBMTJ-HNNXBMFYSA-N 1 0 321.262 4.331 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1cccc(OC(F)(F)F)c1 ZINC001617792640 1056883712 /nfs/dbraw/zinc/88/37/12/1056883712.db2.gz QBHUDYUHAWVAIZ-UHFFFAOYSA-N 1 0 319.326 4.221 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C12CCCC2 ZINC001617799177 1056884724 /nfs/dbraw/zinc/88/47/24/1056884724.db2.gz ITLKCATYOZJXQS-SJORKVTESA-N 1 0 318.848 4.039 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCC(C)(C)O1 ZINC001617869225 1056894342 /nfs/dbraw/zinc/89/43/42/1056894342.db2.gz ZLOCZAJZRSNIOS-SFHVURJKSA-N 1 0 319.493 4.190 20 30 DIEDRO C[N@H+](CCC1(C#N)CCCCC1)C[C@@H]1OCCc2ccccc21 ZINC001618034693 1056917408 /nfs/dbraw/zinc/91/74/08/1056917408.db2.gz LZRJRDWOCDSFNA-IBGZPJMESA-N 1 0 312.457 4.096 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC001618114201 1056923120 /nfs/dbraw/zinc/92/31/20/1056923120.db2.gz JQQYCNSGSWJWSV-LJQANCHMSA-N 1 0 312.457 4.420 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001618222867 1056936797 /nfs/dbraw/zinc/93/67/97/1056936797.db2.gz WAABJWZINLHDGH-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000011038250 1056940298 /nfs/dbraw/zinc/94/02/98/1056940298.db2.gz WPMMLVBZYPWGNL-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC001203470853 1056956320 /nfs/dbraw/zinc/95/63/20/1056956320.db2.gz JLZKVNGSERJAEH-INIZCTEOSA-N 1 0 301.455 4.140 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC001203470854 1056957925 /nfs/dbraw/zinc/95/79/25/1056957925.db2.gz JLZKVNGSERJAEH-MRXNPFEDSA-N 1 0 301.455 4.140 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCOc1ccccc1C#N ZINC000315612792 1056967531 /nfs/dbraw/zinc/96/75/31/1056967531.db2.gz RXDOKFKFURFARJ-CQSZACIVSA-N 1 0 314.816 4.283 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001168713329 1056975583 /nfs/dbraw/zinc/97/55/83/1056975583.db2.gz YHVAKWSQPRJGDS-RKDXNWHRSA-N 1 0 321.635 4.226 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(N(C)C)cc2C)cc1 ZINC001241250857 1056980561 /nfs/dbraw/zinc/98/05/61/1056980561.db2.gz BTSSOZRPBIZABL-HXUWFJFHSA-N 1 0 321.468 4.446 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)cc1C#N ZINC000316622080 1056988373 /nfs/dbraw/zinc/98/83/73/1056988373.db2.gz RUOWUXQTNWIHIS-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO CCOc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c(F)c1 ZINC001241276552 1056992679 /nfs/dbraw/zinc/99/26/79/1056992679.db2.gz AZXLJCFBJDUMDO-UHFFFAOYSA-N 1 0 324.399 4.036 20 30 DIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2csc(C#N)c2)CC1 ZINC000922288129 1056999023 /nfs/dbraw/zinc/99/90/23/1056999023.db2.gz OSXAUMOXUCQMKG-WKILWMFISA-N 1 0 306.475 4.083 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000118396425 1057017946 /nfs/dbraw/zinc/01/79/46/1057017946.db2.gz VHAFEEPRPRZDSM-HNNXBMFYSA-N 1 0 323.415 4.335 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2nccc3c2CCCC3)cc1 ZINC000922464436 1057026295 /nfs/dbraw/zinc/02/62/95/1057026295.db2.gz ROOMNDJEIZLZAI-UHFFFAOYSA-N 1 0 319.452 4.051 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000092850407 1057030528 /nfs/dbraw/zinc/03/05/28/1057030528.db2.gz YKGZYMQUAPYICV-INIZCTEOSA-N 1 0 322.305 4.481 20 30 DIEDRO N#Cc1cc(C#N)cc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001241388817 1057035265 /nfs/dbraw/zinc/03/52/65/1057035265.db2.gz ILPFKBRVRDJRHG-UHFFFAOYSA-N 1 0 301.393 4.083 20 30 DIEDRO N#CCOc1ccccc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001241389183 1057035455 /nfs/dbraw/zinc/03/54/55/1057035455.db2.gz NJGVMZSDQYVLAB-UHFFFAOYSA-N 1 0 306.409 4.242 20 30 DIEDRO N#Cc1c(F)cc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC001241389110 1057035625 /nfs/dbraw/zinc/03/56/25/1057035625.db2.gz XPAJLLSYIHULRG-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C)c(-c2ccc(C#N)cc2OC)c1 ZINC001241408926 1057044334 /nfs/dbraw/zinc/04/43/34/1057044334.db2.gz PPUHDDPAXPZQGD-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO COc1cc(C#N)ccc1-c1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001241408298 1057044404 /nfs/dbraw/zinc/04/44/04/1057044404.db2.gz QOYKREZERKLEND-UHFFFAOYSA-N 1 0 304.393 4.235 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)s1 ZINC000124674695 1057047863 /nfs/dbraw/zinc/04/78/63/1057047863.db2.gz FJGCNVUZKDWBHO-UHFFFAOYSA-N 1 0 318.392 4.457 20 30 DIEDRO CCSc1ccccc1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000922710064 1057050545 /nfs/dbraw/zinc/05/05/45/1057050545.db2.gz OTWPPDZBLLILHY-UHFFFAOYSA-N 1 0 302.487 4.403 20 30 DIEDRO COc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cc1CC#N ZINC001241503905 1057072769 /nfs/dbraw/zinc/07/27/69/1057072769.db2.gz IKWVZMMVUISYCC-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO N#Cc1c[nH]c2cc(C3=CC[N@H+](Cc4ccccc4)CC3)ccc12 ZINC001241504215 1057073193 /nfs/dbraw/zinc/07/31/93/1057073193.db2.gz BWIZMPAAQNCQBI-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO N#CCCc1cccc(C2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001241503878 1057073290 /nfs/dbraw/zinc/07/32/90/1057073290.db2.gz HTDXIVHSKGCNDC-UHFFFAOYSA-N 1 0 302.421 4.432 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000156310310 1057076602 /nfs/dbraw/zinc/07/66/02/1057076602.db2.gz DGGMQYIEXUIGPB-OAHLLOKOSA-N 1 0 319.408 4.022 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000282173227 1057085080 /nfs/dbraw/zinc/08/50/80/1057085080.db2.gz FCKXWKDHOFNWIH-SEEARECTSA-N 1 0 304.434 4.282 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)s2)C2CCC2)cc1 ZINC000922887288 1057088047 /nfs/dbraw/zinc/08/80/47/1057088047.db2.gz BNDFYFZDECZDRA-GOSISDBHSA-N 1 0 312.438 4.259 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)s2)C2CCC2)cc1 ZINC000922887289 1057088770 /nfs/dbraw/zinc/08/87/70/1057088770.db2.gz BNDFYFZDECZDRA-SFHVURJKSA-N 1 0 312.438 4.259 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2F)C2CCC2)cc1 ZINC000922889475 1057091754 /nfs/dbraw/zinc/09/17/54/1057091754.db2.gz SQBQPBCRRODEEF-HXUWFJFHSA-N 1 0 324.399 4.337 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2F)C2CCC2)cc1 ZINC000922889473 1057092485 /nfs/dbraw/zinc/09/24/85/1057092485.db2.gz SQBQPBCRRODEEF-FQEVSTJZSA-N 1 0 324.399 4.337 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ncnc3ccc(C#N)cc32)cc1 ZINC001241573659 1057093929 /nfs/dbraw/zinc/09/39/29/1057093929.db2.gz OOPSDNGSXGGBMW-UHFFFAOYSA-N 1 0 316.408 4.010 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(C3(C#N)CC3)cn2)cc1 ZINC001241573272 1057094298 /nfs/dbraw/zinc/09/42/98/1057094298.db2.gz IDIXYUMSCNTSIQ-UHFFFAOYSA-N 1 0 305.425 4.146 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)C2CCC2)cc1 ZINC000922890449 1057094857 /nfs/dbraw/zinc/09/48/57/1057094857.db2.gz GJLUJTCSTUNEQF-FQEVSTJZSA-N 1 0 306.409 4.198 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2cnc3ccc(C#N)cc3n2)cc1 ZINC001241575487 1057096094 /nfs/dbraw/zinc/09/60/94/1057096094.db2.gz IXOBKNJJUSZALZ-UHFFFAOYSA-N 1 0 316.408 4.010 20 30 DIEDRO Cc1oc2ccccc2c1[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000925362024 1057105662 /nfs/dbraw/zinc/10/56/62/1057105662.db2.gz AKGDNJLTXMONES-CQSZACIVSA-N 1 0 320.392 4.494 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000766017733 1057105710 /nfs/dbraw/zinc/10/57/10/1057105710.db2.gz CRVCORZUQOWKKR-YJBOKZPZSA-N 1 0 324.424 4.211 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCCc2cc(OC)ccc21)c1ccncc1 ZINC000766018126 1057110365 /nfs/dbraw/zinc/11/03/65/1057110365.db2.gz GCJYYSJMSQTZCK-VQTJNVASSA-N 1 0 308.425 4.375 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)CCc1ccc(OC)cc1)c1ccncc1 ZINC000766021892 1057122806 /nfs/dbraw/zinc/12/28/06/1057122806.db2.gz VHDQUQKNUXLEHM-UZLBHIALSA-N 1 0 310.441 4.318 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cc(F)cc(C#N)c2)nc1 ZINC001241654942 1057123548 /nfs/dbraw/zinc/12/35/48/1057123548.db2.gz IOCLCAMMRJIBJY-AWEZNQCLSA-N 1 0 309.388 4.134 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1-c1cc(F)cc(C#N)c1 ZINC001241660120 1057125523 /nfs/dbraw/zinc/12/55/23/1057125523.db2.gz HNZHLZVGOUNYBU-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO Cc1ccc(CCC2CCN(C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000028802154 1057126424 /nfs/dbraw/zinc/12/64/24/1057126424.db2.gz SZZBADJPQHXNNH-HXUWFJFHSA-N 1 0 309.457 4.083 20 30 DIEDRO CCCc1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001241689616 1057138448 /nfs/dbraw/zinc/13/84/48/1057138448.db2.gz IOZQLADOXIPOLT-UHFFFAOYSA-N 1 0 320.436 4.309 20 30 DIEDRO C[C@H]1c2ccsc2CCN1Cc1ccc(C#N)cc1Cl ZINC000162893384 1057153385 /nfs/dbraw/zinc/15/33/85/1057153385.db2.gz GIHLSWDECKXMFG-NSHDSACASA-N 1 0 302.830 4.392 20 30 DIEDRO N#CCc1cccc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001241758609 1057159354 /nfs/dbraw/zinc/15/93/54/1057159354.db2.gz HWMQWTIBQJIOTP-UHFFFAOYSA-N 1 0 320.436 4.284 20 30 DIEDRO C=CC[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000625700506 1057192404 /nfs/dbraw/zinc/19/24/04/1057192404.db2.gz JFEXRXBZDXPJSP-KRWDZBQOSA-N 1 0 308.425 4.059 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000625702166 1057192833 /nfs/dbraw/zinc/19/28/33/1057192833.db2.gz DOHCAXYNSUWDDQ-CQSZACIVSA-N 1 0 314.454 4.217 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000658058368 1057245781 /nfs/dbraw/zinc/24/57/81/1057245781.db2.gz BFYPPXUKDJQWOF-RDHHWEPZSA-N 1 0 317.477 4.383 20 30 DIEDRO N#CCCn1cc(C[NH2+]CCC2CCCC2)c(-c2ccccc2)n1 ZINC000172112798 1057248568 /nfs/dbraw/zinc/24/85/68/1057248568.db2.gz FIQAQQSUQUEANI-UHFFFAOYSA-N 1 0 322.456 4.134 20 30 DIEDRO COc1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1CC#N ZINC001242118008 1057268101 /nfs/dbraw/zinc/26/81/01/1057268101.db2.gz AQVUJSOLZUDVTR-UHFFFAOYSA-N 1 0 306.409 4.024 20 30 DIEDRO Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)c(C#N)c(C)c1C ZINC001242119172 1057268969 /nfs/dbraw/zinc/26/89/69/1057268969.db2.gz OMLPWJHQNIGWTJ-UHFFFAOYSA-N 1 0 305.425 4.141 20 30 DIEDRO CC(C)(C#N)c1ccc(-c2cccc(C[NH+]3CCCC3)c2)cn1 ZINC001242122456 1057269636 /nfs/dbraw/zinc/26/96/36/1057269636.db2.gz LWTIGZROEFYUDM-UHFFFAOYSA-N 1 0 305.425 4.146 20 30 DIEDRO N#CCCOc1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001242123183 1057269755 /nfs/dbraw/zinc/26/97/55/1057269755.db2.gz VBQNWQWAOCCVLH-UHFFFAOYSA-N 1 0 306.409 4.242 20 30 DIEDRO N#CCc1c[nH]c2cccc(-c3cccc(C[NH+]4CCCC4)c3)c12 ZINC001242121496 1057269977 /nfs/dbraw/zinc/26/99/77/1057269977.db2.gz FMQZAJBOGVRNDJ-UHFFFAOYSA-N 1 0 315.420 4.497 20 30 DIEDRO C[NH+](C)CCOc1ccc(-c2ccc(C(C)(C)C#N)cc2)cc1 ZINC001242150281 1057279895 /nfs/dbraw/zinc/27/98/95/1057279895.db2.gz KOAVJFUPSIYFTD-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CSc3ccccc32)cc1 ZINC000766072114 1057285867 /nfs/dbraw/zinc/28/58/67/1057285867.db2.gz PZNCEVYPIFBCPM-KBXCAEBGSA-N 1 0 309.434 4.196 20 30 DIEDRO C=C(C[NH2+]Cc1c[nH]nc1-c1ccccc1F)c1ccccc1 ZINC000674880533 1057294912 /nfs/dbraw/zinc/29/49/12/1057294912.db2.gz QPUMJOSUWYMDKX-UHFFFAOYSA-N 1 0 307.372 4.019 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000675103568 1057316270 /nfs/dbraw/zinc/31/62/70/1057316270.db2.gz XCAUBDZGRKAAOG-KRWDZBQOSA-N 1 0 315.800 4.128 20 30 DIEDRO C#Cc1ccc(-c2ncc(C3=CC[N@H+](CC)CC3)cc2C)cc1 ZINC001242293291 1057324017 /nfs/dbraw/zinc/32/40/17/1057324017.db2.gz DFPCJNBGOZCKSN-UHFFFAOYSA-N 1 0 302.421 4.147 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(C3=CC(=O)CC(C)(C)C3)c(C)c2)CC1 ZINC001242315132 1057331989 /nfs/dbraw/zinc/33/19/89/1057331989.db2.gz QCYLUVDOADAZCS-UHFFFAOYSA-N 1 0 324.468 4.272 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C2=CC(=O)CC(C)(C)C2)nc1 ZINC001242314442 1057332181 /nfs/dbraw/zinc/33/21/81/1057332181.db2.gz CDYWOLRTIHESRZ-OAHLLOKOSA-N 1 0 312.457 4.229 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000785477953 1057349451 /nfs/dbraw/zinc/34/94/51/1057349451.db2.gz CCBHOWVKTARLNB-CQSZACIVSA-N 1 0 323.827 4.457 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000174110718 1057350451 /nfs/dbraw/zinc/35/04/51/1057350451.db2.gz UGBLFOLNWGQJJX-QGTPRVQTSA-N 1 0 300.446 4.050 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(C)c(CO)c2)cc1 ZINC001242388170 1057357219 /nfs/dbraw/zinc/35/72/19/1057357219.db2.gz LJKGNRLVHMBRES-NRFANRHFSA-N 1 0 307.437 4.477 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000174320488 1057357778 /nfs/dbraw/zinc/35/77/78/1057357778.db2.gz LTLJTHRBJXXWFP-LBPRGKRZSA-N 1 0 323.421 4.434 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)c2cccs2)o1 ZINC000174404788 1057360681 /nfs/dbraw/zinc/36/06/81/1057360681.db2.gz ITRLMZDNCQLBIH-QGZVFWFLSA-N 1 0 308.406 4.286 20 30 DIEDRO Cc1cc(C#N)ccc1-c1cc(F)c(C[NH+]2CCCC2)c(F)c1 ZINC001242475576 1057377075 /nfs/dbraw/zinc/37/70/75/1057377075.db2.gz WZDKCOQEQTWNHY-UHFFFAOYSA-N 1 0 312.363 4.408 20 30 DIEDRO Cc1cc(C#N)cc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)c1 ZINC001242477636 1057378334 /nfs/dbraw/zinc/37/83/34/1057378334.db2.gz FAHYXPYWSLTUEH-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO Cc1cc(C#N)ccc1-c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC001242477008 1057378459 /nfs/dbraw/zinc/37/84/59/1057378459.db2.gz XQBUSKJRTALVPD-UHFFFAOYSA-N 1 0 303.409 4.119 20 30 DIEDRO COc1ccc(-c2cc(C#N)ccc2C)cc1C[NH+]1CCCC1 ZINC001242544212 1057399828 /nfs/dbraw/zinc/39/98/28/1057399828.db2.gz JAIBULVDUWGGEH-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO Cc1ccc(C#N)cc1-c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC001242545059 1057399980 /nfs/dbraw/zinc/39/99/80/1057399980.db2.gz WIHPLBOEOWJNOY-UHFFFAOYSA-N 1 0 303.409 4.119 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000675783527 1057414551 /nfs/dbraw/zinc/41/45/51/1057414551.db2.gz JPDSSIGYNDCLRG-KRWDZBQOSA-N 1 0 303.409 4.236 20 30 DIEDRO N#Cc1cc(F)ccc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001242584235 1057415075 /nfs/dbraw/zinc/41/50/75/1057415075.db2.gz INJBNKICVUBFRA-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1-c1ccc(F)cc1C#N ZINC001242584102 1057415118 /nfs/dbraw/zinc/41/51/18/1057415118.db2.gz DXXAIKFKYGHKAL-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO Cc1ccc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c(C#N)c1 ZINC001242591652 1057417075 /nfs/dbraw/zinc/41/70/75/1057417075.db2.gz FEXPXYICJGSKNP-UHFFFAOYSA-N 1 0 300.405 4.182 20 30 DIEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000675933987 1057435375 /nfs/dbraw/zinc/43/53/75/1057435375.db2.gz ZRBMPLUIVOSNGV-FZMZJTMJSA-N 1 0 302.418 4.491 20 30 DIEDRO N#Cc1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)nc(C(F)(F)F)c1 ZINC001242688264 1057447009 /nfs/dbraw/zinc/44/70/09/1057447009.db2.gz GOIHCZWMVCGCJX-CQSZACIVSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1cnc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC001242687766 1057447011 /nfs/dbraw/zinc/44/70/11/1057447011.db2.gz AXFGBUMOVJWJJV-CQSZACIVSA-N 1 0 321.346 4.004 20 30 DIEDRO C[Si](C)(C)C#Cc1ccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC001242695792 1057451293 /nfs/dbraw/zinc/45/12/93/1057451293.db2.gz VUIPLHKXYIYQOU-HXUWFJFHSA-N 1 0 324.544 4.342 20 30 DIEDRO C=C(C)CCc1ccccc1-c1cnn(C2CC[NH+](C)CC2)c1 ZINC001242729458 1057461081 /nfs/dbraw/zinc/46/10/81/1057461081.db2.gz XASGCXKHBFBLLR-UHFFFAOYSA-N 1 0 309.457 4.326 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1C1=CC(=O)C[C@@H](C)C1 ZINC001242742142 1057465459 /nfs/dbraw/zinc/46/54/59/1057465459.db2.gz KBLQFRRNVKZWFS-HNNXBMFYSA-N 1 0 313.441 4.064 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1nc(C)sc1C)C(C)C ZINC000676488110 1057478255 /nfs/dbraw/zinc/47/82/55/1057478255.db2.gz BXOKTVFBZVDEQS-PBHICJAKSA-N 1 0 321.534 4.109 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1nc(C)sc1C)C(C)C ZINC000676488111 1057478496 /nfs/dbraw/zinc/47/84/96/1057478496.db2.gz BXOKTVFBZVDEQS-RHSMWYFYSA-N 1 0 321.534 4.109 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000676638759 1057492077 /nfs/dbraw/zinc/49/20/77/1057492077.db2.gz AHSWSBPTELQOSY-IFXJQAMLSA-N 1 0 320.427 4.126 20 30 DIEDRO Clc1ccccc1C#CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625786892 1057518459 /nfs/dbraw/zinc/51/84/59/1057518459.db2.gz QBVKJGMLDMALKD-LJQANCHMSA-N 1 0 310.828 4.218 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc1 ZINC000922969171 1057518598 /nfs/dbraw/zinc/51/85/98/1057518598.db2.gz ZKAYIOLAIDEIIJ-SFHVURJKSA-N 1 0 312.457 4.069 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CCc2ccc3ccccc3c2)cc1 ZINC001649133692 1057539949 /nfs/dbraw/zinc/53/99/49/1057539949.db2.gz IKLHLVXZTPNEHT-UHFFFAOYSA-N 1 0 315.416 4.184 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cccc(CO)c2C)cc1 ZINC001243016835 1057547779 /nfs/dbraw/zinc/54/77/79/1057547779.db2.gz NAMBFVSLMZPKPY-OAQYLSRUSA-N 1 0 307.437 4.477 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)ccn1 ZINC000611039103 1057580929 /nfs/dbraw/zinc/58/09/29/1057580929.db2.gz LPOKZGSCUVMDQZ-OAQYLSRUSA-N 1 0 319.452 4.331 20 30 DIEDRO COc1cccc(C[N@@H+](Cc2cc(C#N)cs2)CC(C)C)c1 ZINC000611257876 1057587082 /nfs/dbraw/zinc/58/70/82/1057587082.db2.gz XQBNCDSZCJONET-UHFFFAOYSA-N 1 0 314.454 4.287 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000489420729 1057587176 /nfs/dbraw/zinc/58/71/76/1057587176.db2.gz BSFPWUNLXLFBMI-SFHVURJKSA-N 1 0 314.473 4.371 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000611380276 1057593747 /nfs/dbraw/zinc/59/37/47/1057593747.db2.gz AGQQHECFCKQIQX-SFHVURJKSA-N 1 0 311.404 4.359 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000611386671 1057594336 /nfs/dbraw/zinc/59/43/36/1057594336.db2.gz RJCBENKZGUPQRQ-CQSZACIVSA-N 1 0 314.816 4.331 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC000611386679 1057594501 /nfs/dbraw/zinc/59/45/01/1057594501.db2.gz RKSLDVNIRFDHEV-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Oc1ccc(F)cc1 ZINC000611393015 1057595227 /nfs/dbraw/zinc/59/52/27/1057595227.db2.gz CUVCLZRWVMFODA-VBKZILBWSA-N 1 0 324.399 4.132 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611393809 1057595953 /nfs/dbraw/zinc/59/59/53/1057595953.db2.gz MMAPGHHALAJNLV-FQEVSTJZSA-N 1 0 320.436 4.433 20 30 DIEDRO CCCCn1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000611395250 1057596224 /nfs/dbraw/zinc/59/62/24/1057596224.db2.gz YDFHBPSPZBQERU-HXUWFJFHSA-N 1 0 322.456 4.031 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Cc1cccs1 ZINC000611393543 1057596465 /nfs/dbraw/zinc/59/64/65/1057596465.db2.gz VYRWASGFUKXJGE-KUHUBIRLSA-N 1 0 310.466 4.466 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Oc1cccc(F)c1 ZINC000611393622 1057596471 /nfs/dbraw/zinc/59/64/71/1057596471.db2.gz YFLNGPKHTWQETK-XOBRGWDASA-N 1 0 324.399 4.132 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1c(C)noc1C ZINC000611394373 1057596754 /nfs/dbraw/zinc/59/67/54/1057596754.db2.gz GBLSTHAIMQNUMU-QZTJIDSGSA-N 1 0 309.413 4.281 20 30 DIEDRO CCOc1ccccc1CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611394096 1057596783 /nfs/dbraw/zinc/59/67/83/1057596783.db2.gz GPIYMTHOERVJLE-FQEVSTJZSA-N 1 0 320.436 4.167 20 30 DIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccnc(C#N)c1 ZINC000611402528 1057597420 /nfs/dbraw/zinc/59/74/20/1057597420.db2.gz XWTMDMZGUOCAAH-IBGZPJMESA-N 1 0 323.440 4.229 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391091 1057598294 /nfs/dbraw/zinc/59/82/94/1057598294.db2.gz SAPCRKYUFQTJBI-ORAYPTAESA-N 1 0 324.399 4.434 20 30 DIEDRO COc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611438224 1057599929 /nfs/dbraw/zinc/59/99/29/1057599929.db2.gz MYLYOEHGUFDNBM-HNNXBMFYSA-N 1 0 308.425 4.195 20 30 DIEDRO CO[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1Cl ZINC000611438691 1057599945 /nfs/dbraw/zinc/59/99/45/1057599945.db2.gz HACSIXWHWXHEOZ-FZKQIMNGSA-N 1 0 314.816 4.250 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000611465601 1057601407 /nfs/dbraw/zinc/60/14/07/1057601407.db2.gz ROVMHAYBGRQYNS-KZULUSFZSA-N 1 0 312.413 4.336 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492348067 1057613827 /nfs/dbraw/zinc/61/38/27/1057613827.db2.gz ACYQDGLFFHHWKD-OAHLLOKOSA-N 1 0 305.487 4.357 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492348066 1057613883 /nfs/dbraw/zinc/61/38/83/1057613883.db2.gz ACYQDGLFFHHWKD-HNNXBMFYSA-N 1 0 305.487 4.357 20 30 DIEDRO CCCC[N@@H+]1Cc2cccc(N=Cc3cc(OC)ccc3O)c2C1 ZINC000727265504 1057645320 /nfs/dbraw/zinc/64/53/20/1057645320.db2.gz RUBYFLAGGLKDJM-UHFFFAOYSA-N 1 0 324.424 4.267 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1nc(C)c(C)c(C)c1C#N ZINC001243334972 1057650127 /nfs/dbraw/zinc/65/01/27/1057650127.db2.gz JTPJUKKMPINSBL-UHFFFAOYSA-N 1 0 307.441 4.387 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1cc(F)c(C#N)c(OC)c1 ZINC001243340379 1057652016 /nfs/dbraw/zinc/65/20/16/1057652016.db2.gz PWKKWOIPBWVKAD-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(F)c(/C=N/OC)c1 ZINC001243340863 1057652694 /nfs/dbraw/zinc/65/26/94/1057652694.db2.gz WUNXKEMXPBFDHO-FYJGNVAPSA-N 1 0 314.404 4.315 20 30 DIEDRO N#CC1(c2ccc(-c3ccc([C@H]4CCC[NH2+]4)c(F)c3)cc2)CC1 ZINC001243423377 1057679526 /nfs/dbraw/zinc/67/95/26/1057679526.db2.gz BJAVAFUEXQHXAA-LJQANCHMSA-N 1 0 306.384 4.472 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730798320 1057725681 /nfs/dbraw/zinc/72/56/81/1057725681.db2.gz UXFDBXVEAVTRSW-SFHVURJKSA-N 1 0 308.510 4.214 20 30 DIEDRO N#CCOc1ccc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)cc1 ZINC001243591545 1057726815 /nfs/dbraw/zinc/72/68/15/1057726815.db2.gz KANLFDGOKBKWGZ-UHFFFAOYSA-N 1 0 324.399 4.381 20 30 DIEDRO N#CCOc1ccc(-c2ccc(SC3CC[NH2+]CC3)cc2)cc1 ZINC001243595466 1057727803 /nfs/dbraw/zinc/72/78/03/1057727803.db2.gz VQPAWEUZGUWCCK-UHFFFAOYSA-N 1 0 324.449 4.100 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000731212045 1057737085 /nfs/dbraw/zinc/73/70/85/1057737085.db2.gz PHRGBOYJQZUGJS-UHFFFAOYSA-N 1 0 312.388 4.140 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211874 1057737342 /nfs/dbraw/zinc/73/73/42/1057737342.db2.gz GEHQECYMPKUXRW-UHFFFAOYSA-N 1 0 314.816 4.264 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000731210541 1057737427 /nfs/dbraw/zinc/73/74/27/1057737427.db2.gz QIVIBJGZZARXLF-HXUWFJFHSA-N 1 0 306.409 4.098 20 30 DIEDRO CC(C)CC[NH+](CCC(C)C)Cc1ccc(OCC#N)cc1 ZINC000731210386 1057737646 /nfs/dbraw/zinc/73/76/46/1057737646.db2.gz JJSYKFSLFAIXFE-UHFFFAOYSA-N 1 0 302.462 4.483 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000731211638 1057738185 /nfs/dbraw/zinc/73/81/85/1057738185.db2.gz RTKAFGDOMAFWIR-OAHLLOKOSA-N 1 0 312.388 4.311 20 30 DIEDRO CCC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1F ZINC000731212183 1057738197 /nfs/dbraw/zinc/73/81/97/1057738197.db2.gz XYNWNKTYMMAPDA-UHFFFAOYSA-N 1 0 312.388 4.140 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000731212789 1057738237 /nfs/dbraw/zinc/73/82/37/1057738237.db2.gz LICUBQCAOCPINJ-FQEVSTJZSA-N 1 0 320.436 4.044 20 30 DIEDRO C[N@H+](Cc1csc2ccccc12)Cc1ccc(OCC#N)cc1 ZINC000731211342 1057738295 /nfs/dbraw/zinc/73/82/95/1057738295.db2.gz HENKNYPHWMGXNT-UHFFFAOYSA-N 1 0 322.433 4.436 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1cccc2ccccc21 ZINC000731211583 1057738428 /nfs/dbraw/zinc/73/84/28/1057738428.db2.gz POIJTNTYRINVRN-UHFFFAOYSA-N 1 0 316.404 4.374 20 30 DIEDRO Cc1cc(C#N)c(-c2ccc(C3CC[NH+](C)CC3)cc2)nc1C ZINC001243650624 1057743535 /nfs/dbraw/zinc/74/35/35/1057743535.db2.gz OJHXHIAHGSAZOK-UHFFFAOYSA-N 1 0 305.425 4.046 20 30 DIEDRO COc1c(C#N)c(F)ccc1-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001243653830 1057744224 /nfs/dbraw/zinc/74/42/24/1057744224.db2.gz BJHDXMNXVSZZHA-UHFFFAOYSA-N 1 0 324.399 4.182 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(C4(C#N)CC4)cn3)cc2)CC1 ZINC001243652084 1057744356 /nfs/dbraw/zinc/74/43/56/1057744356.db2.gz CJFWSNHSKNIUFQ-UHFFFAOYSA-N 1 0 317.436 4.113 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(F)cc3CC#N)cc2)CC1 ZINC001243659039 1057746714 /nfs/dbraw/zinc/74/67/14/1057746714.db2.gz ZMOHUARCYZMMKM-UHFFFAOYSA-N 1 0 308.400 4.368 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(SC)c(OC)c1)C1CCCCC1 ZINC000731667794 1057751082 /nfs/dbraw/zinc/75/10/82/1057751082.db2.gz WYCOOJYACYHLIR-UHFFFAOYSA-N 1 0 303.471 4.185 20 30 DIEDRO C=C(Cl)C[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000731751334 1057752912 /nfs/dbraw/zinc/75/29/12/1057752912.db2.gz SXZXYVZUPLAZIR-UHFFFAOYSA-N 1 0 317.864 4.474 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 ZINC000731751051 1057753474 /nfs/dbraw/zinc/75/34/74/1057753474.db2.gz FWAMXTYRMDAVKQ-UHFFFAOYSA-N 1 0 313.832 4.265 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(F)cc(CO)c2)cc1 ZINC001243695786 1057755636 /nfs/dbraw/zinc/75/56/36/1057755636.db2.gz AJWAYSRZJWAAQT-HXUWFJFHSA-N 1 0 311.400 4.308 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001243732167 1057765187 /nfs/dbraw/zinc/76/51/87/1057765187.db2.gz WMPPSYHVOPOFDY-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO COc1ccc(-c2ccc(C3CC[NH+](C)CC3)cc2)c(C#N)c1 ZINC001243731694 1057765447 /nfs/dbraw/zinc/76/54/47/1057765447.db2.gz BAVILONNWPHEAA-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO N#C[C@H]1CC=C(c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)CC1 ZINC001243791344 1057780238 /nfs/dbraw/zinc/78/02/38/1057780238.db2.gz CXWRCJKLWPWLSJ-KSSFIOAISA-N 1 0 318.424 4.208 20 30 DIEDRO C=CC[N@@H+](C[C@H](O)c1c(F)cccc1F)CC1CCCCC1 ZINC000732668342 1057782783 /nfs/dbraw/zinc/78/27/83/1057782783.db2.gz YQZVWKPBUUCFBA-KRWDZBQOSA-N 1 0 309.400 4.067 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC)cc2)cc1 ZINC000733322195 1057811831 /nfs/dbraw/zinc/81/18/31/1057811831.db2.gz BYKTWKGMLQKBNP-QGZVFWFLSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000733322339 1057811924 /nfs/dbraw/zinc/81/19/24/1057811924.db2.gz HWSQTFSHCBJBPM-IBGZPJMESA-N 1 0 311.450 4.391 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)cc1 ZINC000733324615 1057812581 /nfs/dbraw/zinc/81/25/81/1057812581.db2.gz OCYWQTXSFCCVAI-UHFFFAOYSA-N 1 0 323.411 4.049 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](CC)c2ccccc2OC)cc1 ZINC000733324402 1057812957 /nfs/dbraw/zinc/81/29/57/1057812957.db2.gz WHDLLKFQNIFXDS-FQEVSTJZSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3C)cc1 ZINC000733328219 1057813608 /nfs/dbraw/zinc/81/36/08/1057813608.db2.gz LWKSNXVITUYEJZ-NRFANRHFSA-N 1 0 305.421 4.174 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1 ZINC000733327880 1057813987 /nfs/dbraw/zinc/81/39/87/1057813987.db2.gz DYSLXPGSLNVVED-UHFFFAOYSA-N 1 0 309.384 4.007 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)cc2N)nc1 ZINC001244084721 1057863915 /nfs/dbraw/zinc/86/39/15/1057863915.db2.gz LDQKCHWGFDIINJ-HXUWFJFHSA-N 1 0 320.440 4.139 20 30 DIEDRO CC[NH+]1CCC(c2ccc(-c3ccc(N)c(C#N)c3)cc2)CC1 ZINC001244116895 1057874300 /nfs/dbraw/zinc/87/43/00/1057874300.db2.gz UYCSRSRSAHQRHC-UHFFFAOYSA-N 1 0 305.425 4.007 20 30 DIEDRO N#Cc1c2c(cnc1-c1ccc(C3CC3)cc1Cl)C[NH2+]CCC2 ZINC001244273251 1057919953 /nfs/dbraw/zinc/91/99/53/1057919953.db2.gz QCINGBDBZHGROZ-UHFFFAOYSA-N 1 0 323.827 4.187 20 30 DIEDRO N#Cc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c(Cl)c1 ZINC001244327869 1057934081 /nfs/dbraw/zinc/93/40/81/1057934081.db2.gz CKAACDJXBDSTIV-UHFFFAOYSA-N 1 0 321.811 4.023 20 30 DIEDRO N#CC1(c2ccc(-c3cccc(OCC[NH3+])c3)cc2)CCCCC1 ZINC001244324723 1057934376 /nfs/dbraw/zinc/93/43/76/1057934376.db2.gz LWKUEGZTKZFMAN-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO CCOc1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)ccc1C ZINC001244442804 1057959733 /nfs/dbraw/zinc/95/97/33/1057959733.db2.gz LUWTXQIIAWRDLH-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3C)cn2)cc1C#N ZINC001244481315 1057971526 /nfs/dbraw/zinc/97/15/26/1057971526.db2.gz AHPMTERILIAPAU-MRXNPFEDSA-N 1 0 305.425 4.303 20 30 DIEDRO N#Cc1ccc(F)c(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001244559495 1057995416 /nfs/dbraw/zinc/99/54/16/1057995416.db2.gz NCPVPRPBKWMYJP-PMACEKPBSA-N 1 0 324.399 4.151 20 30 DIEDRO C[NH2+]Cc1cccc(-c2nccc(-c3ccccc3)c2C#N)c1F ZINC001244856331 1058058652 /nfs/dbraw/zinc/05/86/52/1058058652.db2.gz LPSMWFUNMBDXRC-UHFFFAOYSA-N 1 0 317.367 4.146 20 30 DIEDRO CCc1cc(-c2ccc([C@@H]3CCCC[N@@H+]3C)cn2)ccc1C#N ZINC001244952313 1058079958 /nfs/dbraw/zinc/07/99/58/1058079958.db2.gz OBNSOINMNKOUCQ-FQEVSTJZSA-N 1 0 305.425 4.339 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cccc(O)c2OC)cc1 ZINC001244993682 1058088209 /nfs/dbraw/zinc/08/82/09/1058088209.db2.gz WDSUJLBPDQEQDA-GOSISDBHSA-N 1 0 309.409 4.391 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(OC)cnc2F)cc1 ZINC001245064125 1058106223 /nfs/dbraw/zinc/10/62/23/1058106223.db2.gz NWEGKFOWPBYRSP-SFHVURJKSA-N 1 0 312.388 4.219 20 30 DIEDRO COc1ccc(-c2cccc(C#N)c2F)cc1C[NH+]1CCCCC1 ZINC001245072706 1058107076 /nfs/dbraw/zinc/10/70/76/1058107076.db2.gz PYRRBVSNYOOFJV-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(F)c(OC)c2)cc1 ZINC001245079421 1058107841 /nfs/dbraw/zinc/10/78/41/1058107841.db2.gz DZIVINBKJUSANR-KRWDZBQOSA-N 1 0 312.388 4.219 20 30 DIEDRO N#Cc1cc(C(F)(F)F)cnc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245345626 1058148591 /nfs/dbraw/zinc/14/85/91/1058148591.db2.gz ICXAHQDNPDREMR-HNNXBMFYSA-N 1 0 317.314 4.064 20 30 DIEDRO CC(C)(C)c1ccc(C#N)c(-c2ccc([C@H]3CCC[NH2+]3)cc2)n1 ZINC001245349321 1058149778 /nfs/dbraw/zinc/14/97/78/1058149778.db2.gz LLJCMTVSFPYYPU-QGZVFWFLSA-N 1 0 305.425 4.342 20 30 DIEDRO N#Cc1c(F)c(F)c(-c2ccc([C@H]3CCC[NH2+]3)cc2)c(F)c1F ZINC001245356352 1058151141 /nfs/dbraw/zinc/15/11/41/1058151141.db2.gz MPGPCKSFMPPWMO-GFCCVEGCSA-N 1 0 320.289 4.206 20 30 DIEDRO C=C(C)c1ccc(-c2ccc(COC3CC[NH2+]CC3)cc2)nc1 ZINC001245407852 1058161388 /nfs/dbraw/zinc/16/13/88/1058161388.db2.gz ZVVBEIHCJHOBEF-UHFFFAOYSA-N 1 0 308.425 4.050 20 30 DIEDRO N#Cc1c[nH]c2cc(-c3ccc(C4CC[NH2+]CC4)cc3)ccc12 ZINC001245525169 1058199757 /nfs/dbraw/zinc/19/97/57/1058199757.db2.gz DGGQORHSOKJYAO-UHFFFAOYSA-N 1 0 301.393 4.174 20 30 DIEDRO N#CCc1c[nH]c2cccc(-c3ccc(C4CC[NH2+]CC4)cc3)c12 ZINC001245527800 1058203931 /nfs/dbraw/zinc/20/39/31/1058203931.db2.gz XXRNSROKNGJGMC-UHFFFAOYSA-N 1 0 315.420 4.368 20 30 DIEDRO N#CCCOc1ccc(-c2ccc(C3CC[NH2+]CC3)cc2)cc1 ZINC001245527412 1058204214 /nfs/dbraw/zinc/20/42/14/1058204214.db2.gz WLTIQXUYJMBGBF-UHFFFAOYSA-N 1 0 306.409 4.113 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cc(C)ccc2C#N)ccc1OC ZINC001245605760 1058282198 /nfs/dbraw/zinc/28/21/98/1058282198.db2.gz ISGOSSYBHGCCDF-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001520579718 1058642334 /nfs/dbraw/zinc/64/23/34/1058642334.db2.gz IEWXJADFLRNLOY-BZSNNMDCSA-N 1 0 310.526 4.314 20 30 DIEDRO CCCCCCCC[C@@H](O)CNc1cccc(C[NH2+]CC)c1 ZINC001245977491 1058652999 /nfs/dbraw/zinc/65/29/99/1058652999.db2.gz ZBGQWYIOEQDFRG-LJQANCHMSA-N 1 0 306.494 4.320 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccccc1N ZINC001245989902 1058653660 /nfs/dbraw/zinc/65/36/60/1058653660.db2.gz ZHIVXOCTQTWFMP-GOSISDBHSA-N 1 0 306.494 4.250 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCNc2ccccc21 ZINC001246006587 1058655675 /nfs/dbraw/zinc/65/56/75/1058655675.db2.gz WXSZEFZRSNBKFI-VQIMIIECSA-N 1 0 302.462 4.020 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246137354 1058693625 /nfs/dbraw/zinc/69/36/25/1058693625.db2.gz YHHDNPBQBCSXLR-MVCQKVDPSA-N 1 0 310.526 4.015 20 30 DIEDRO CNc1ccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001246173318 1058717042 /nfs/dbraw/zinc/71/70/42/1058717042.db2.gz SRWQZNKYXOJCNA-UHFFFAOYSA-N 1 0 319.452 4.416 20 30 DIEDRO CCCCCCC[C@@H](C)N[C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246196376 1058737587 /nfs/dbraw/zinc/73/75/87/1058737587.db2.gz WKQGXKAHDFPCLV-HIFRSBDPSA-N 1 0 308.432 4.256 20 30 DIEDRO C=CCCC1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001557476015 1058754088 /nfs/dbraw/zinc/75/40/88/1058754088.db2.gz SNKUDUXHHDEKEE-SFHVURJKSA-N 1 0 318.505 4.036 20 30 DIEDRO CCCCCCC[C@H](CC)NC1(C(F)(F)F)CC[NH2+]CC1 ZINC001246258464 1058776326 /nfs/dbraw/zinc/77/63/26/1058776326.db2.gz CUGSYTIJXUYZIJ-AWEZNQCLSA-N 1 0 308.432 4.400 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246319299 1058830150 /nfs/dbraw/zinc/83/01/50/1058830150.db2.gz VRLKVMRVFAHMAB-FRQCXROJSA-N 1 0 316.489 4.069 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H]1CCNC[C@@H]1C(F)(F)F ZINC001246339278 1058845704 /nfs/dbraw/zinc/84/57/04/1058845704.db2.gz CXGVBZCXOKZOAH-KKUMJFAQSA-N 1 0 308.432 4.256 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2 ZINC001246389760 1058894988 /nfs/dbraw/zinc/89/49/88/1058894988.db2.gz NLILJGGREDXIRK-YSTOQKLRSA-N 1 0 324.553 4.405 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001246423097 1058918106 /nfs/dbraw/zinc/91/81/06/1058918106.db2.gz XWJMFGOTINZMHG-SFHVURJKSA-N 1 0 317.521 4.085 20 30 DIEDRO C=C[C@@H](N[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246485923 1058962940 /nfs/dbraw/zinc/96/29/40/1058962940.db2.gz BSUZRYPUCNPNIJ-TYPHKJRUSA-N 1 0 324.443 4.444 20 30 DIEDRO CCCCCCC[C@@H](C)N1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246654696 1059055178 /nfs/dbraw/zinc/05/51/78/1059055178.db2.gz NMRNKDLVNBYJEP-OAHLLOKOSA-N 1 0 302.453 4.199 20 30 DIEDRO C=CCN(Cc1ccccc1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246839913 1059117973 /nfs/dbraw/zinc/11/79/73/1059117973.db2.gz LFYRYBHCYIMICS-YADHBBJMSA-N 1 0 320.480 4.038 20 30 DIEDRO C=CCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246839911 1059118736 /nfs/dbraw/zinc/11/87/36/1059118736.db2.gz LFYRYBHCYIMICS-FGZHOGPDSA-N 1 0 320.480 4.038 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCN[C@@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922070 1059175871 /nfs/dbraw/zinc/17/58/71/1059175871.db2.gz UXRAVSUBOOUNQG-SJLPKXTDSA-N 1 0 304.453 4.214 20 30 DIEDRO C=CCC[C@@H](C)N(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246952380 1059196347 /nfs/dbraw/zinc/19/63/47/1059196347.db2.gz LIZUQVMMXUKCRV-OAHLLOKOSA-N 1 0 306.881 4.249 20 30 DIEDRO CCCCCCC[C@@H](C)N(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246965404 1059210569 /nfs/dbraw/zinc/21/05/69/1059210569.db2.gz USOGZSLQQCTWAS-QUCCMNQESA-N 1 0 317.521 4.385 20 30 DIEDRO N#Cc1c(F)cccc1S[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001559419019 1059221086 /nfs/dbraw/zinc/22/10/86/1059221086.db2.gz RMBWFWQNJHUNIX-OAHLLOKOSA-N 1 0 312.413 4.064 20 30 DIEDRO C=CC[NH2+]Cc1nc2c(ccc(Oc3ccccc3)c2Cl)[nH]1 ZINC001247013248 1059243218 /nfs/dbraw/zinc/24/32/18/1059243218.db2.gz USCWQUNYLSEHEZ-UHFFFAOYSA-N 1 0 313.788 4.284 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](OC)C1CCCCC1 ZINC001559493153 1059270921 /nfs/dbraw/zinc/27/09/21/1059270921.db2.gz QFFHSQUZAHCVEJ-HXUWFJFHSA-N 1 0 317.473 4.279 20 30 DIEDRO C#CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)[C@H]1CCc2ccccc21 ZINC001559499595 1059281687 /nfs/dbraw/zinc/28/16/87/1059281687.db2.gz YICBTXGCEBGCJJ-VGSWGCGISA-N 1 0 319.448 4.421 20 30 DIEDRO CC(C)C[N@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC001559505150 1059292836 /nfs/dbraw/zinc/29/28/36/1059292836.db2.gz BZFCXBQZUKXWCJ-UHFFFAOYSA-N 1 0 310.416 4.398 20 30 DIEDRO CC(C)C[N@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC001559506056 1059295161 /nfs/dbraw/zinc/29/51/61/1059295161.db2.gz SSENDUGZKVUEIN-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@]1(C)CC1(Cl)Cl ZINC001559506921 1059295672 /nfs/dbraw/zinc/29/56/72/1059295672.db2.gz HQMSOUOUYYWZEB-OAHLLOKOSA-N 1 0 311.256 4.353 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC2 ZINC001559507740 1059297633 /nfs/dbraw/zinc/29/76/33/1059297633.db2.gz VMWKEGYVWREMNF-UHFFFAOYSA-N 1 0 304.437 4.458 20 30 DIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CCC)CC(C)C ZINC001559508570 1059302813 /nfs/dbraw/zinc/30/28/13/1059302813.db2.gz HGRMQRRESDDLCT-INIZCTEOSA-N 1 0 322.518 4.019 20 30 DIEDRO CCC1(C)CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001559512758 1059306509 /nfs/dbraw/zinc/30/65/09/1059306509.db2.gz XIQBKBARKGYZHT-UHFFFAOYSA-N 1 0 308.372 4.172 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC001559521984 1059319709 /nfs/dbraw/zinc/31/97/09/1059319709.db2.gz TWEQHSVVMBYHRY-QGZVFWFLSA-N 1 0 307.359 4.321 20 30 DIEDRO CCCCCCCCNC(=S)Nc1cccc(C[NH+](C)C)c1 ZINC001247160068 1059322174 /nfs/dbraw/zinc/32/21/74/1059322174.db2.gz DIQJNEAAJJFNRQ-UHFFFAOYSA-N 1 0 321.534 4.395 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC001559527689 1059323810 /nfs/dbraw/zinc/32/38/10/1059323810.db2.gz KILXACUKAJXLGL-IBGZPJMESA-N 1 0 304.437 4.321 20 30 DIEDRO C=CC[N@H+](CCCOc1ccc(C#N)cc1)CC1CCCCC1 ZINC001559538079 1059339629 /nfs/dbraw/zinc/33/96/29/1059339629.db2.gz OUFQBGPFEXIXTH-UHFFFAOYSA-N 1 0 312.457 4.395 20 30 DIEDRO CCC[N@H+](CCc1ccc(C#N)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC001559550791 1059360743 /nfs/dbraw/zinc/36/07/43/1059360743.db2.gz RKZFGFFHFKRVLQ-OALUTQOASA-N 1 0 314.473 4.016 20 30 DIEDRO C=CCCCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001559565228 1059394666 /nfs/dbraw/zinc/39/46/66/1059394666.db2.gz HHZYTSLDKFHDOP-UHFFFAOYSA-N 1 0 318.417 4.184 20 30 DIEDRO CC1(C)CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001559571813 1059402520 /nfs/dbraw/zinc/40/25/20/1059402520.db2.gz DMIOFNAPUYKVIE-UHFFFAOYSA-N 1 0 308.372 4.172 20 30 DIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCCC3(C2)CCCCCC3)c1 ZINC001559576683 1059409064 /nfs/dbraw/zinc/40/90/64/1059409064.db2.gz ITJHUAHKRWLKIU-LJQANCHMSA-N 1 0 312.457 4.028 20 30 DIEDRO COc1ccc(C[C@@H]2CC[N@@H+]2CCCCC2(C#N)CCC2)cc1 ZINC001559593263 1059427446 /nfs/dbraw/zinc/42/74/46/1059427446.db2.gz XBDCOZCYUBDYDY-SFHVURJKSA-N 1 0 312.457 4.176 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)CCCCC2(C#N)CCC2)C12CCC2 ZINC001559597194 1059432192 /nfs/dbraw/zinc/43/21/92/1059432192.db2.gz CNWICDQUTYWXCP-DLBZAZTESA-N 1 0 304.478 4.130 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1(CC)CC ZINC001559619042 1059449382 /nfs/dbraw/zinc/44/93/82/1059449382.db2.gz SRQYNLFHIXRYRI-QZTJIDSGSA-N 1 0 318.436 4.113 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559626465 1059456014 /nfs/dbraw/zinc/45/60/14/1059456014.db2.gz UGHJVMYKCHZTIG-DLBZAZTESA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCCCN1CCc2[nH]c3c(cccc3Br)c2C1 ZINC001559631439 1059459098 /nfs/dbraw/zinc/45/90/98/1059459098.db2.gz FMYDKJKDDRIQEJ-UHFFFAOYSA-N 1 0 319.246 4.255 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC[C@@H]2CCCO2)C(C)(C)C)cc1 ZINC001559638368 1059463920 /nfs/dbraw/zinc/46/39/20/1059463920.db2.gz YPQMXFFHFAKBLV-SFHVURJKSA-N 1 0 317.473 4.421 20 30 DIEDRO C#CCCCCCC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001559654925 1059484478 /nfs/dbraw/zinc/48/44/78/1059484478.db2.gz PTEFWWDPLHQEBR-VQTJNVASSA-N 1 0 312.501 4.165 20 30 DIEDRO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC001559658184 1059488075 /nfs/dbraw/zinc/48/80/75/1059488075.db2.gz CGHMOYVAINMQGV-LSDHHAIUSA-N 1 0 308.400 4.400 20 30 DIEDRO CCCCCCCOc1ccc(-c2noc([C@@H](C)[NH2+]C)n2)cc1 ZINC001247489705 1059497343 /nfs/dbraw/zinc/49/73/43/1059497343.db2.gz HEBVVJZGTCXSSY-CQSZACIVSA-N 1 0 317.433 4.366 20 30 DIEDRO CCCCCCCC[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC001559673210 1059498177 /nfs/dbraw/zinc/49/81/77/1059498177.db2.gz FDCVJGDFIAMNGE-UHFFFAOYSA-N 1 0 303.446 4.192 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC001559677705 1059500663 /nfs/dbraw/zinc/50/06/63/1059500663.db2.gz KDRLAYDWTWNEBB-UHFFFAOYSA-N 1 0 318.342 4.224 20 30 DIEDRO N#Cc1cccc([C@H](O)C[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC001559704444 1059532729 /nfs/dbraw/zinc/53/27/29/1059532729.db2.gz NVWSGZDKFVMWFE-NHCUHLMSSA-N 1 0 320.436 4.113 20 30 DIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2ccccc2C)CC1 ZINC001559734413 1059567223 /nfs/dbraw/zinc/56/72/23/1059567223.db2.gz NVHFWBWVUKGQHP-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1ccc(C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1C#N ZINC001559749351 1059581888 /nfs/dbraw/zinc/58/18/88/1059581888.db2.gz NNDWQPSGVVKZBE-UHFFFAOYSA-N 1 0 302.780 4.291 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC001559767132 1059604148 /nfs/dbraw/zinc/60/41/48/1059604148.db2.gz SWRNEPBRMLOGLG-RBUKOAKNSA-N 1 0 317.379 4.214 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCO1 ZINC001559769701 1059606391 /nfs/dbraw/zinc/60/63/91/1059606391.db2.gz RQPBREGIDYVGRI-CZAAIQMYSA-N 1 0 321.420 4.310 20 30 DIEDRO N#CC1(CC[N@H+]2CC[C@@](F)(c3ccccc3)C2)CCCCC1 ZINC001559789775 1059624592 /nfs/dbraw/zinc/62/45/92/1059624592.db2.gz XYCMAYMZEUMFOT-IBGZPJMESA-N 1 0 300.421 4.421 20 30 DIEDRO CC(C)(C)CCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001559794314 1059628714 /nfs/dbraw/zinc/62/87/14/1059628714.db2.gz BAOPFIIZNBCEEA-UHFFFAOYSA-N 1 0 319.880 4.160 20 30 DIEDRO CCC(C)(C)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001559795185 1059628959 /nfs/dbraw/zinc/62/89/59/1059628959.db2.gz WVYQERRKRLEBQN-UHFFFAOYSA-N 1 0 319.880 4.160 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@H](C)[C@H]1OC ZINC001559811013 1059645709 /nfs/dbraw/zinc/64/57/09/1059645709.db2.gz BRIPWDFODXFEGL-JCURWCKSSA-N 1 0 320.864 4.141 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CCCC3)CC2)c(OC(F)F)c1 ZINC001559859996 1059680524 /nfs/dbraw/zinc/68/05/24/1059680524.db2.gz QEOIIADLFTXPRZ-UHFFFAOYSA-N 1 0 320.383 4.316 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC001559868400 1059689374 /nfs/dbraw/zinc/68/93/74/1059689374.db2.gz QLTCIQBDIANPGY-GQIGUUNPSA-N 1 0 320.436 4.333 20 30 DIEDRO COC[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC001559886820 1059705658 /nfs/dbraw/zinc/70/56/58/1059705658.db2.gz UMTCYJNWYZEEGN-KRWDZBQOSA-N 1 0 320.864 4.481 20 30 DIEDRO COC[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC001559886821 1059706718 /nfs/dbraw/zinc/70/67/18/1059706718.db2.gz UMTCYJNWYZEEGN-QGZVFWFLSA-N 1 0 320.864 4.481 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CCC1 ZINC001559900669 1059715915 /nfs/dbraw/zinc/71/59/15/1059715915.db2.gz UMEUZTCDLZGFME-OAHLLOKOSA-N 1 0 308.372 4.218 20 30 DIEDRO C[N@H+](CCCOc1cccc(C#N)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001559921854 1059736598 /nfs/dbraw/zinc/73/65/98/1059736598.db2.gz UJYMVXIFZUCZTN-OALUTQOASA-N 1 0 314.473 4.474 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC001559939420 1059754617 /nfs/dbraw/zinc/75/46/17/1059754617.db2.gz PUXXYFUAUBFTLR-CQSZACIVSA-N 1 0 314.816 4.230 20 30 DIEDRO C=CCC(C)(C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001525111393 1059756440 /nfs/dbraw/zinc/75/64/40/1059756440.db2.gz DOLQZNHXAJRXSS-MRXNPFEDSA-N 1 0 314.473 4.459 20 30 DIEDRO Cc1ccc(C2([NH2+]CCCOc3ccc(C#N)cc3)CCC2)cc1 ZINC001559967316 1059777435 /nfs/dbraw/zinc/77/74/35/1059777435.db2.gz ZGBNRZPMLGTXAL-UHFFFAOYSA-N 1 0 320.436 4.305 20 30 DIEDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC001559989778 1059796418 /nfs/dbraw/zinc/79/64/18/1059796418.db2.gz XZBMHWXVZWXSDJ-LJQANCHMSA-N 1 0 320.436 4.391 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001559992480 1059796544 /nfs/dbraw/zinc/79/65/44/1059796544.db2.gz AWOACEGISKXSAB-BLLLJJGKSA-N 1 0 308.809 4.473 20 30 DIEDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC001559989777 1059797350 /nfs/dbraw/zinc/79/73/50/1059797350.db2.gz XZBMHWXVZWXSDJ-IBGZPJMESA-N 1 0 320.436 4.391 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC/C=C/c1cncc(OC)c1 ZINC001559994292 1059799922 /nfs/dbraw/zinc/79/99/22/1059799922.db2.gz ZIEGEWSGDCBMPA-CUXJHESGSA-N 1 0 300.446 4.218 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C3CCC3)C2)c(OC(F)F)c1 ZINC001560012220 1059816018 /nfs/dbraw/zinc/81/60/18/1059816018.db2.gz SWXBCIXVZXEYOC-HNNXBMFYSA-N 1 0 320.383 4.172 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)ccc1N1CCCCC1 ZINC001560060163 1059872064 /nfs/dbraw/zinc/87/20/64/1059872064.db2.gz GYMFAAUDPBODSR-AZUAARDMSA-N 1 0 311.473 4.109 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)CCCCC1 ZINC001560070979 1059882772 /nfs/dbraw/zinc/88/27/72/1059882772.db2.gz VCMIAYWSUXKCCR-UHFFFAOYSA-N 1 0 320.864 4.456 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CCC1 ZINC001560074713 1059886312 /nfs/dbraw/zinc/88/63/12/1059886312.db2.gz CAZAGZFKTKACHX-SFHVURJKSA-N 1 0 316.420 4.143 20 30 DIEDRO Cc1ccc2c(C[N@H+](C)Cc3cccc(C#N)c3)cccc2n1 ZINC001248574409 1059895667 /nfs/dbraw/zinc/89/56/67/1059895667.db2.gz XIKJJOFSDOTCFV-UHFFFAOYSA-N 1 0 301.393 4.047 20 30 DIEDRO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCc1cccc(C#N)c1 ZINC001560084118 1059900867 /nfs/dbraw/zinc/90/08/67/1059900867.db2.gz IASLHOYVIPPNMN-MRXNPFEDSA-N 1 0 304.437 4.282 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(Cl)cc(Cl)c1F ZINC001560128381 1059930307 /nfs/dbraw/zinc/93/03/07/1059930307.db2.gz JOYAQCLWGVNRPN-ATZCPNFKSA-N 1 0 301.192 4.475 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1cc(Cl)cc(Cl)c1F ZINC001560129006 1059932390 /nfs/dbraw/zinc/93/23/90/1059932390.db2.gz VLXWYLAFHPPTSE-VIFPVBQESA-N 1 0 321.248 4.430 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC001560136354 1059941109 /nfs/dbraw/zinc/94/11/09/1059941109.db2.gz QYNSALBYATWVMB-MRXNPFEDSA-N 1 0 323.436 4.070 20 30 DIEDRO C#CCC1([NH2+]Cc2nc(-c3ccccc3Cl)cs2)CCC1 ZINC001560165327 1059961365 /nfs/dbraw/zinc/96/13/65/1059961365.db2.gz ILBHPCSRUBGRBK-UHFFFAOYSA-N 1 0 316.857 4.499 20 30 DIEDRO C#CCC1([NH2+]Cc2ncc(-c3ccccc3F)o2)CCCCC1 ZINC001560169950 1059962160 /nfs/dbraw/zinc/96/21/60/1059962160.db2.gz ACPGQPFTDGHANZ-UHFFFAOYSA-N 1 0 312.388 4.297 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001248752310 1059965014 /nfs/dbraw/zinc/96/50/14/1059965014.db2.gz HBMYIKOYTOEJMF-FQEVSTJZSA-N 1 0 320.436 4.119 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001248752154 1059965060 /nfs/dbraw/zinc/96/50/60/1059965060.db2.gz ZUNJOBKCOUNFDE-UHFFFAOYSA-N 1 0 302.421 4.410 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(C#N)cc1CC)[C@@H]1CCc2ccccc21 ZINC001248751566 1059966027 /nfs/dbraw/zinc/96/60/27/1059966027.db2.gz AVDBGMNJJVPZLX-JOCHJYFZSA-N 1 0 314.432 4.243 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(Br)cs2)CCCCC1 ZINC001560171514 1059967066 /nfs/dbraw/zinc/96/70/66/1059967066.db2.gz XCZPYEXJMOKVEO-UHFFFAOYSA-N 1 0 312.276 4.326 20 30 DIEDRO COc1ccc(CN(CCC#N)C2CCCC2)c(OC)c1Cl ZINC001248798874 1059978185 /nfs/dbraw/zinc/97/81/85/1059978185.db2.gz IEIRFXNDWOMFFJ-UHFFFAOYSA-N 1 0 322.836 4.015 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001560199946 1059982527 /nfs/dbraw/zinc/98/25/27/1059982527.db2.gz IFENMHRBNFSJQP-INIZCTEOSA-N 1 0 323.358 4.367 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc4[nH]ccc4c3)CC2)o1 ZINC001560203000 1059982750 /nfs/dbraw/zinc/98/27/50/1059982750.db2.gz LEAXKEZJIFIHFX-UHFFFAOYSA-N 1 0 305.381 4.012 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC001560205882 1059983507 /nfs/dbraw/zinc/98/35/07/1059983507.db2.gz JQMULZREGSTFCG-LZLYRXPVSA-N 1 0 322.452 4.056 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)c1F ZINC001560216536 1059994763 /nfs/dbraw/zinc/99/47/63/1059994763.db2.gz DPRDHIJPHDZLBC-GOSISDBHSA-N 1 0 324.399 4.000 20 30 DIEDRO C=CC[N@H+](Cc1[nH]nc2cc(C(F)(F)F)ccc21)C(C)(C)C ZINC001248847813 1060017049 /nfs/dbraw/zinc/01/70/49/1060017049.db2.gz COTKTYOQYSJTQS-UHFFFAOYSA-N 1 0 311.351 4.368 20 30 DIEDRO CC(C)(C)c1cc(O)c(C[NH+]2CCC(C#N)CC2)cc1Cl ZINC001248880433 1060030910 /nfs/dbraw/zinc/03/09/10/1060030910.db2.gz JLMUMLAGRMFIMU-UHFFFAOYSA-N 1 0 306.837 4.079 20 30 DIEDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001248883832 1060036304 /nfs/dbraw/zinc/03/63/04/1060036304.db2.gz RDONJIHMNBWUEF-CYBMUJFWSA-N 1 0 320.864 4.469 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)Cc2ccccc2Cl)cc1 ZINC001560270635 1060044056 /nfs/dbraw/zinc/04/40/56/1060044056.db2.gz CGBNULKGGYFFMW-HNNXBMFYSA-N 1 0 313.828 4.073 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC001560284055 1060062113 /nfs/dbraw/zinc/06/21/13/1060062113.db2.gz AGLCMIIWRWISRF-OIISXLGYSA-N 1 0 301.430 4.243 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(C)c2)C12CCCCC2 ZINC001560342582 1060127613 /nfs/dbraw/zinc/12/76/13/1060127613.db2.gz YZRLCJDKFXUUJV-OALUTQOASA-N 1 0 312.457 4.084 20 30 DIEDRO C[N@H+](Cc1cnn2ccc(C#N)cc12)C1CCC(C(C)(C)C)CC1 ZINC001249114116 1060164056 /nfs/dbraw/zinc/16/40/56/1060164056.db2.gz UMHLGKKNASGHHU-UHFFFAOYSA-N 1 0 324.472 4.243 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC001560396116 1060181612 /nfs/dbraw/zinc/18/16/12/1060181612.db2.gz NBMFZMRLVLOGMS-DZGCQCFKSA-N 1 0 313.363 4.462 20 30 DIEDRO COc1ccc(C2(C[NH2+]Cc3ccc(C#N)c(C)c3)CCC2)cc1 ZINC001560412559 1060197459 /nfs/dbraw/zinc/19/74/59/1060197459.db2.gz ZDADKCPJZLWHQQ-UHFFFAOYSA-N 1 0 320.436 4.087 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001560418065 1060201727 /nfs/dbraw/zinc/20/17/27/1060201727.db2.gz SLDPQKBYGWUWBX-WFASDCNBSA-N 1 0 308.809 4.125 20 30 DIEDRO N#Cc1ccc2cc(C[N@H+]3CC[C@H](c4ccc(F)cc4)C3)[nH]c2c1 ZINC001249429473 1060246660 /nfs/dbraw/zinc/24/66/60/1060246660.db2.gz CVAPCPSBDNGMBK-KRWDZBQOSA-N 1 0 319.383 4.168 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)[nH]c2c1 ZINC001249429107 1060247324 /nfs/dbraw/zinc/24/73/24/1060247324.db2.gz NSIQUMCDZPCGKC-GOSISDBHSA-N 1 0 315.420 4.104 20 30 DIEDRO CC[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccc(F)cc1 ZINC001249429508 1060247541 /nfs/dbraw/zinc/24/75/41/1060247541.db2.gz DVLZNZLIYOBQDT-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO N#Cc1ccc2cc(C[N@H+]3CC[C@@H](c4ccccc4F)C3)[nH]c2c1 ZINC001249428832 1060247603 /nfs/dbraw/zinc/24/76/03/1060247603.db2.gz CWOMWGGQUMOSOD-MRXNPFEDSA-N 1 0 319.383 4.168 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)[nH]c2c1 ZINC001249428870 1060247966 /nfs/dbraw/zinc/24/79/66/1060247966.db2.gz FHALGABNNZZODW-LJQANCHMSA-N 1 0 315.420 4.419 20 30 DIEDRO CCSc1ccccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001249437951 1060251728 /nfs/dbraw/zinc/25/17/28/1060251728.db2.gz KTRHLSCOVVPPGD-UHFFFAOYSA-N 1 0 308.450 4.229 20 30 DIEDRO C=CC(C)(C)CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001526549827 1060253682 /nfs/dbraw/zinc/25/36/82/1060253682.db2.gz ZZYPXULDKKKHKH-MRXNPFEDSA-N 1 0 314.473 4.459 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]c2nc(Cl)nc(Cl)c12)C(C)(C)C ZINC001249471168 1060255825 /nfs/dbraw/zinc/25/58/25/1060255825.db2.gz CAVVCWCYMCCIKG-UHFFFAOYSA-N 1 0 313.232 4.003 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC001249519499 1060272211 /nfs/dbraw/zinc/27/22/11/1060272211.db2.gz IQEPPAPMRWWICY-UHFFFAOYSA-N 1 0 322.250 4.114 20 30 DIEDRO C=CCc1cc(C[NH2+]C2(CC=C)CCCCC2)cc(OC)c1O ZINC001560472123 1060261366 /nfs/dbraw/zinc/26/13/66/1060261366.db2.gz LFFLZEINNMOUTJ-UHFFFAOYSA-N 1 0 315.457 4.498 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001560474811 1060264622 /nfs/dbraw/zinc/26/46/22/1060264622.db2.gz CTGCTORGCJVDGB-UHFFFAOYSA-N 1 0 305.425 4.327 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001560484463 1060274275 /nfs/dbraw/zinc/27/42/75/1060274275.db2.gz LRBXWOKFQSHPMI-UHFFFAOYSA-N 1 0 311.853 4.439 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC001249540457 1060279572 /nfs/dbraw/zinc/27/95/72/1060279572.db2.gz CNTZKMZQRFIYLQ-UHFFFAOYSA-N 1 0 323.234 4.378 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC001560491963 1060285994 /nfs/dbraw/zinc/28/59/94/1060285994.db2.gz GCQNXPRULJJLAY-SFHVURJKSA-N 1 0 305.462 4.304 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCCOC2)c1 ZINC001560493896 1060289043 /nfs/dbraw/zinc/28/90/43/1060289043.db2.gz SFTUEVVHVRUXMB-GOSISDBHSA-N 1 0 305.462 4.304 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCOC(C)(C)CC)cc1Cl ZINC001560496300 1060291772 /nfs/dbraw/zinc/29/17/72/1060291772.db2.gz LTBZFQACNNUAEP-UHFFFAOYSA-N 1 0 311.853 4.200 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC001560510138 1060306008 /nfs/dbraw/zinc/30/60/08/1060306008.db2.gz GTXRXOCHNHMZMI-WMZOPIPTSA-N 1 0 313.466 4.404 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cn(C)nc2C(C)(C)C)CCCC1 ZINC001560531482 1060334489 /nfs/dbraw/zinc/33/44/89/1060334489.db2.gz CCHKQMOZYYZYQT-UHFFFAOYSA-N 1 0 303.494 4.334 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC3(CCc4ccccc43)CC2)c1F ZINC001249681677 1060342835 /nfs/dbraw/zinc/34/28/35/1060342835.db2.gz ZVONEVWFWKEOMD-UHFFFAOYSA-N 1 0 320.411 4.177 20 30 DIEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001560549656 1060356853 /nfs/dbraw/zinc/35/68/53/1060356853.db2.gz MIXIEADGWHQRSX-IBGZPJMESA-N 1 0 313.828 4.135 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl ZINC001560554544 1060364314 /nfs/dbraw/zinc/36/43/14/1060364314.db2.gz BSZQFXIOFJZULG-UHFFFAOYSA-N 1 0 320.868 4.012 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC001560566250 1060374758 /nfs/dbraw/zinc/37/47/58/1060374758.db2.gz JHHALDLWBCWIOW-KTBYTZPXSA-N 1 0 316.448 4.254 20 30 DIEDRO COc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)c2)cc1C#N ZINC001560571201 1060384481 /nfs/dbraw/zinc/38/44/81/1060384481.db2.gz KEIOUQZLLBXKFU-UHFFFAOYSA-N 1 0 324.424 4.034 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccccc1 ZINC001560572387 1060385201 /nfs/dbraw/zinc/38/52/01/1060385201.db2.gz KVQGYLYPYNFREJ-GOSISDBHSA-N 1 0 324.424 4.040 20 30 DIEDRO Cc1cc(Nc2cc(-c3ccc(F)cc3)sc2C#N)cnc1N ZINC001249781745 1060397335 /nfs/dbraw/zinc/39/73/35/1060397335.db2.gz LBXUXOZAWPKLPC-UHFFFAOYSA-N 1 0 324.384 4.455 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC001560582898 1060398107 /nfs/dbraw/zinc/39/81/07/1060398107.db2.gz ZUCZUUXKAFFIML-UHFFFAOYSA-N 1 0 324.255 4.477 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001560588369 1060400913 /nfs/dbraw/zinc/40/09/13/1060400913.db2.gz VEDMISAOIZDCCE-AWEZNQCLSA-N 1 0 312.369 4.010 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1 ZINC001560594672 1060407287 /nfs/dbraw/zinc/40/72/87/1060407287.db2.gz VIXLWZQYSWEKBJ-IBGZPJMESA-N 1 0 315.457 4.080 20 30 DIEDRO C#CCC1([NH2+]C/C(C)=C\c2ccccc2OC(F)F)CCC1 ZINC001560598572 1060410954 /nfs/dbraw/zinc/41/09/54/1060410954.db2.gz FPLJBXIMJGJSQJ-OWBHPGMISA-N 1 0 305.368 4.227 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@H](Cc1ccccc1)c1ccccn1 ZINC001560621883 1060435074 /nfs/dbraw/zinc/43/50/74/1060435074.db2.gz CHPJBPFVZICRSI-IBGZPJMESA-N 1 0 321.468 4.327 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC001527120074 1060440665 /nfs/dbraw/zinc/44/06/65/1060440665.db2.gz VMBHNMWCONNBCY-MLHJIOFPSA-N 1 0 310.526 4.313 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCc2ccccc21 ZINC001560646797 1060469092 /nfs/dbraw/zinc/46/90/92/1060469092.db2.gz JCLDYSOMYJOKST-NNWRFLSQSA-N 1 0 316.448 4.488 20 30 DIEDRO C#CC[N@@H+](Cc1cnc(CC(F)(F)F)s1)C1CCCCC1 ZINC001560657692 1060481489 /nfs/dbraw/zinc/48/14/89/1060481489.db2.gz WCDZGKSGQZBPEF-UHFFFAOYSA-N 1 0 316.392 4.016 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CCC)C1 ZINC001560662424 1060489380 /nfs/dbraw/zinc/48/93/80/1060489380.db2.gz YSWQZVLEISELCH-OAHLLOKOSA-N 1 0 305.849 4.364 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](CCC)C1 ZINC001560662423 1060490097 /nfs/dbraw/zinc/49/00/97/1060490097.db2.gz YSWQZVLEISELCH-HNNXBMFYSA-N 1 0 305.849 4.364 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC001560687002 1060530784 /nfs/dbraw/zinc/53/07/84/1060530784.db2.gz FLXZJCNHAWLSEL-GJZGRUSLSA-N 1 0 305.849 4.363 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccnn1-c1ccc(F)cc1 ZINC001560684893 1060533004 /nfs/dbraw/zinc/53/30/04/1060533004.db2.gz CWTZFJTVXRYZCI-UHFFFAOYSA-N 1 0 301.409 4.190 20 30 DIEDRO C=CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCc1ccco1 ZINC001560708228 1060565031 /nfs/dbraw/zinc/56/50/31/1060565031.db2.gz DXQFJDJESUJSBI-ALCCZGGFSA-N 1 0 310.441 4.090 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001560777523 1060640606 /nfs/dbraw/zinc/64/06/06/1060640606.db2.gz LXHBAORYTYYEDU-UHFFFAOYSA-N 1 0 312.363 4.091 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2cc(F)c(OC)cc2OC)CCCC1(C)C ZINC001560793195 1060654397 /nfs/dbraw/zinc/65/43/97/1060654397.db2.gz IBAMNAPQXBRRFW-SFHVURJKSA-N 1 0 321.436 4.410 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC001560814240 1060671476 /nfs/dbraw/zinc/67/14/76/1060671476.db2.gz SGFCEJKYCDHGQT-ROUUACIJSA-N 1 0 303.446 4.404 20 30 DIEDRO C#C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(Cl)cc1F ZINC001560825097 1060684649 /nfs/dbraw/zinc/68/46/49/1060684649.db2.gz AYUHDYNBGZMVEJ-AUUYWEPGSA-N 1 0 313.803 4.473 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ncc(C(F)(F)F)s2)CCCC1 ZINC001560831993 1060689493 /nfs/dbraw/zinc/68/94/93/1060689493.db2.gz XSBAPCGGCAOOMC-UHFFFAOYSA-N 1 0 304.381 4.388 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccc(-c2cccc(F)c2F)o1)C(C)(C)C ZINC001560863080 1060721614 /nfs/dbraw/zinc/72/16/14/1060721614.db2.gz HSNSJYAODJTECP-INIZCTEOSA-N 1 0 303.352 4.362 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccc(-c2cccc(F)c2F)o1)C(C)(C)C ZINC001560863082 1060722239 /nfs/dbraw/zinc/72/22/39/1060722239.db2.gz HSNSJYAODJTECP-MRXNPFEDSA-N 1 0 303.352 4.362 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1cccc(Cl)c1)CC(C)C ZINC001560895535 1060755676 /nfs/dbraw/zinc/75/56/76/1060755676.db2.gz RPBLMKMYRQZXST-WDSOQIARSA-N 1 0 321.892 4.478 20 30 DIEDRO C#CC1CC[NH+](C/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC001560901596 1060765999 /nfs/dbraw/zinc/76/59/99/1060765999.db2.gz XHUVAKHFCDEXQA-WYMLVPIESA-N 1 0 307.359 4.454 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001560906118 1060766755 /nfs/dbraw/zinc/76/67/55/1060766755.db2.gz CGTPVZOFQHCKOX-YHUYYLMFSA-N 1 0 309.494 4.323 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC001560916919 1060778706 /nfs/dbraw/zinc/77/87/06/1060778706.db2.gz YSOYRQJWQRWXLU-XHSDSOJGSA-N 1 0 322.493 4.157 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC001560923010 1060788589 /nfs/dbraw/zinc/78/85/89/1060788589.db2.gz OPMOIXBVIJSFRH-SFHVURJKSA-N 1 0 309.457 4.277 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001560927083 1060791338 /nfs/dbraw/zinc/79/13/38/1060791338.db2.gz GTACHJXNKHLMPW-JQHSSLGASA-N 1 0 315.457 4.461 20 30 DIEDRO N#Cc1ccccc1N1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC001560957838 1060823118 /nfs/dbraw/zinc/82/31/18/1060823118.db2.gz HKQILYLTLLXLIN-FQEVSTJZSA-N 1 0 323.484 4.230 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)c2cccc(OC)c2OC)C1 ZINC001560975673 1060840422 /nfs/dbraw/zinc/84/04/22/1060840422.db2.gz HYDYYUGNDWGHOE-HLLBOEOZSA-N 1 0 303.446 4.489 20 30 DIEDRO C=C1CCC(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC001561001288 1060860496 /nfs/dbraw/zinc/86/04/96/1060860496.db2.gz PPTVSQOPVJYHDQ-UHFFFAOYSA-N 1 0 324.468 4.155 20 30 DIEDRO Cc1ccc(C[NH2+]CCCCCOc2ccccc2)cc1C#N ZINC001561002976 1060862811 /nfs/dbraw/zinc/86/28/11/1060862811.db2.gz RAJVCHJQVZSKAH-UHFFFAOYSA-N 1 0 308.425 4.206 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccn2)C1 ZINC001561035861 1060888428 /nfs/dbraw/zinc/88/84/28/1060888428.db2.gz LCIHGSMMPXNQOE-QWFCFKBJSA-N 1 0 305.425 4.037 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001561036412 1060888877 /nfs/dbraw/zinc/88/88/77/1060888877.db2.gz ZWRJSWVVVJGXCU-QLOJAFMTSA-N 1 0 305.425 4.037 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCSc2c(C)[nH]c3ccccc32)cc1 ZINC001561053684 1060901139 /nfs/dbraw/zinc/90/11/39/1060901139.db2.gz JNLJXBIHCFDEBZ-UHFFFAOYSA-N 1 0 320.461 4.340 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001561056395 1060903573 /nfs/dbraw/zinc/90/35/73/1060903573.db2.gz NKKUGIYMYXXHBM-VDZJLULYSA-N 1 0 301.430 4.004 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1)[C@H]1CCCO1 ZINC001462122203 1060942844 /nfs/dbraw/zinc/94/28/44/1060942844.db2.gz BSGBVMBLXDTIMC-GBESFXJTSA-N 1 0 315.844 4.046 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 ZINC001462122205 1060944136 /nfs/dbraw/zinc/94/41/36/1060944136.db2.gz BSGBVMBLXDTIMC-QYZOEREBSA-N 1 0 315.844 4.046 20 30 DIEDRO C=CCCCCCCc1[nH]c2ccc(N3CCOCC3)cc2[nH+]1 ZINC001250613867 1060945381 /nfs/dbraw/zinc/94/53/81/1060945381.db2.gz DLFUMVOEIKKOMT-UHFFFAOYSA-N 1 0 313.445 4.079 20 30 DIEDRO C=CCCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC001462177136 1060996330 /nfs/dbraw/zinc/99/63/30/1060996330.db2.gz IIPDASLXBXKFTJ-UHFFFAOYSA-N 1 0 312.226 4.390 20 30 DIEDRO C=C[C@@H]1CCCCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC001462160203 1060982010 /nfs/dbraw/zinc/98/20/10/1060982010.db2.gz CCMFWWFXKUNULC-MRXNPFEDSA-N 1 0 302.418 4.490 20 30 DIEDRO CCC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001473258177 1061034194 /nfs/dbraw/zinc/03/41/94/1061034194.db2.gz DETIEIIKZFSVFE-ZDUSSCGKSA-N 1 0 321.262 4.333 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260048 1061035166 /nfs/dbraw/zinc/03/51/66/1061035166.db2.gz PRPYIWGAZUACPU-RBUKOAKNSA-N 1 0 317.448 4.093 20 30 DIEDRO CCC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001473258176 1061035489 /nfs/dbraw/zinc/03/54/89/1061035489.db2.gz DETIEIIKZFSVFE-CYBMUJFWSA-N 1 0 321.262 4.333 20 30 DIEDRO C#C[C@H](CC)[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC001462222342 1061038959 /nfs/dbraw/zinc/03/89/59/1061038959.db2.gz NHUBPASHHVGAOU-GOSISDBHSA-N 1 0 307.441 4.167 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cc(-c2ccccc2C)ccc1OC)C(C)C ZINC001462225304 1061040492 /nfs/dbraw/zinc/04/04/92/1061040492.db2.gz TZYJDBPFUMBJST-FQEVSTJZSA-N 1 0 307.437 4.418 20 30 DIEDRO C#Cc1ccc(CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC001462235913 1061045547 /nfs/dbraw/zinc/04/55/47/1061045547.db2.gz LSVFSSVORUJDHM-UHFFFAOYSA-N 1 0 312.501 4.000 20 30 DIEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC001473274312 1061048106 /nfs/dbraw/zinc/04/81/06/1061048106.db2.gz UWBJXGQDADLSOA-QZTJIDSGSA-N 1 0 300.446 4.132 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC001473291932 1061062922 /nfs/dbraw/zinc/06/29/22/1061062922.db2.gz SIQCQXQIQAZFTE-IBGZPJMESA-N 1 0 315.432 4.447 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC001462275230 1061068277 /nfs/dbraw/zinc/06/82/77/1061068277.db2.gz HBLKGJQMWPYNIO-ICSRJNTNSA-N 1 0 323.411 4.046 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCc2ccc(C#N)cc2)c1 ZINC001473306724 1061070607 /nfs/dbraw/zinc/07/06/07/1061070607.db2.gz WVRDUPUGMFDNHV-HRAATJIYSA-N 1 0 320.436 4.192 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC001473315939 1061080443 /nfs/dbraw/zinc/08/04/43/1061080443.db2.gz CNQXFUQVJYLHJQ-GHMZBOCLSA-N 1 0 301.764 4.394 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)cc1 ZINC001473315987 1061080505 /nfs/dbraw/zinc/08/05/05/1061080505.db2.gz PVYZQKOEDDQRBT-LJQANCHMSA-N 1 0 312.363 4.272 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(Cl)ccc1OC ZINC001473317795 1061083180 /nfs/dbraw/zinc/08/31/80/1061083180.db2.gz FDUNEUWDIURLKQ-UHFFFAOYSA-N 1 0 305.805 4.172 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1)C(C)(C)C ZINC001462295290 1061085473 /nfs/dbraw/zinc/08/54/73/1061085473.db2.gz JMCNGCKHUBSTTB-XJKSGUPXSA-N 1 0 309.400 4.247 20 30 DIEDRO C=CC[N@H+](CCOc1ccc(F)c(Cl)c1)CCc1ccco1 ZINC001473319646 1061085513 /nfs/dbraw/zinc/08/55/13/1061085513.db2.gz YKTBEOGFPOVJFX-UHFFFAOYSA-N 1 0 323.795 4.182 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC001473326533 1061087099 /nfs/dbraw/zinc/08/70/99/1061087099.db2.gz FYJQYYZLMHHJLH-SFHVURJKSA-N 1 0 321.380 4.264 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC001473326808 1061087212 /nfs/dbraw/zinc/08/72/12/1061087212.db2.gz IIZJJCRNPXMXCZ-UHFFFAOYSA-N 1 0 314.379 4.478 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001473328267 1061089852 /nfs/dbraw/zinc/08/98/52/1061089852.db2.gz WIDPRRXGHLDOIZ-IBGZPJMESA-N 1 0 310.397 4.434 20 30 DIEDRO C#CC[C@H]([NH2+]C[C@@H](C)COCc1ccccc1)c1ccccc1 ZINC001473332193 1061092200 /nfs/dbraw/zinc/09/22/00/1061092200.db2.gz USIHSCGPKMFPGI-NQIIRXRSSA-N 1 0 307.437 4.194 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC001473333936 1061095517 /nfs/dbraw/zinc/09/55/17/1061095517.db2.gz JKPXSUFXTNGKCI-NRFANRHFSA-N 1 0 320.436 4.458 20 30 DIEDRO CCC[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1 ZINC001473338062 1061097165 /nfs/dbraw/zinc/09/71/65/1061097165.db2.gz QYDZFIXOZBKJAA-FQEVSTJZSA-N 1 0 308.425 4.458 20 30 DIEDRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC(C)(C)CC#N ZINC001462327306 1061106620 /nfs/dbraw/zinc/10/66/20/1061106620.db2.gz PJHMUEIXVUOWEH-NSHDSACASA-N 1 0 315.244 4.290 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)cc1C#N ZINC001473355251 1061107789 /nfs/dbraw/zinc/10/77/89/1061107789.db2.gz XYYPRBVPLYSUNQ-NRFANRHFSA-N 1 0 304.437 4.464 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001473354796 1061108054 /nfs/dbraw/zinc/10/80/54/1061108054.db2.gz MNBYTIDHEJPKDI-IBGZPJMESA-N 1 0 306.409 4.164 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC001462335298 1061112945 /nfs/dbraw/zinc/11/29/45/1061112945.db2.gz SZJOFQAVMXARBQ-ROUUACIJSA-N 1 0 316.448 4.412 20 30 DIEDRO C=CCOCC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001473374609 1061118168 /nfs/dbraw/zinc/11/81/68/1061118168.db2.gz LTTXOMYMNIROAX-UHFFFAOYSA-N 1 0 313.363 4.267 20 30 DIEDRO CCCCC[N@@H+](CC#Cc1cccc(Cl)c1)CCCOC ZINC001473374789 1061118567 /nfs/dbraw/zinc/11/85/67/1061118567.db2.gz MSTKDJAOHXRLMC-UHFFFAOYSA-N 1 0 307.865 4.220 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001462345445 1061119634 /nfs/dbraw/zinc/11/96/34/1061119634.db2.gz ZFIFLMFFCGMTCC-AWEZNQCLSA-N 1 0 306.400 4.159 20 30 DIEDRO C=C(CC)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC001473372625 1061120332 /nfs/dbraw/zinc/12/03/32/1061120332.db2.gz BBEDQTRLWIQIEQ-IBGZPJMESA-N 1 0 323.415 4.473 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc2c(c1)CCCO2 ZINC001462365415 1061129641 /nfs/dbraw/zinc/12/96/41/1061129641.db2.gz SGSZMATWVSWADB-OAHLLOKOSA-N 1 0 306.409 4.076 20 30 DIEDRO C#CC1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC001462365240 1061130311 /nfs/dbraw/zinc/13/03/11/1061130311.db2.gz DAHJOXWCGVHWHH-UHFFFAOYSA-N 1 0 317.476 4.433 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001473397307 1061134878 /nfs/dbraw/zinc/13/48/78/1061134878.db2.gz JSEBMHQECFUHDJ-DLBZAZTESA-N 1 0 307.890 4.345 20 30 DIEDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001462378058 1061137930 /nfs/dbraw/zinc/13/79/30/1061137930.db2.gz UKOPMSHRPIYXJF-RDJZCZTQSA-N 1 0 300.421 4.346 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC001473421745 1061151272 /nfs/dbraw/zinc/15/12/72/1061151272.db2.gz QMOCAJGZMFEVEF-MRXNPFEDSA-N 1 0 324.509 4.099 20 30 DIEDRO CCCCCCCC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC001473437149 1061159183 /nfs/dbraw/zinc/15/91/83/1061159183.db2.gz AENWTSSPNOKISH-UHFFFAOYSA-N 1 0 308.441 4.424 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC001462415796 1061160639 /nfs/dbraw/zinc/16/06/39/1061160639.db2.gz YCPXFTZYIVMZDJ-INIZCTEOSA-N 1 0 313.420 4.108 20 30 DIEDRO C=CCC[C@H](O)C[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001473446357 1061162613 /nfs/dbraw/zinc/16/26/13/1061162613.db2.gz KXRHTAZQMWHZHO-KRWDZBQOSA-N 1 0 307.865 4.021 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC1CCC(C#N)CC1 ZINC001473448556 1061165946 /nfs/dbraw/zinc/16/59/46/1061165946.db2.gz KRRIPAQTXYAYNS-LADRWXRNSA-N 1 0 300.446 4.408 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CC(C#N)(c3ccccc3)C1)[C@H](C)C2 ZINC001462426358 1061166180 /nfs/dbraw/zinc/16/61/80/1061166180.db2.gz LEQLBOUPQKGWMN-RVQANVSUSA-N 1 0 316.448 4.442 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001462429192 1061168179 /nfs/dbraw/zinc/16/81/79/1061168179.db2.gz UWRYELWKESDQIR-UKRRQHHQSA-N 1 0 308.809 4.473 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001462430488 1061170387 /nfs/dbraw/zinc/17/03/87/1061170387.db2.gz YYJQKRZAIJOUOV-ODZFXCKXSA-N 1 0 322.493 4.014 20 30 DIEDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C1(C)C ZINC001473457776 1061170791 /nfs/dbraw/zinc/17/07/91/1061170791.db2.gz DIITUPXKUUNRMN-IRXDYDNUSA-N 1 0 320.864 4.285 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)C12CCCCC2 ZINC001462440436 1061174508 /nfs/dbraw/zinc/17/45/08/1061174508.db2.gz NIPJNPUCHTWZTM-DLBZAZTESA-N 1 0 304.478 4.178 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC001462445095 1061177560 /nfs/dbraw/zinc/17/75/60/1061177560.db2.gz RMXSETYOONPTST-AWEZNQCLSA-N 1 0 315.379 4.209 20 30 DIEDRO N#CC1(C[NH2+]CCCc2c(F)cccc2Cl)CCCCC1 ZINC001462444855 1061178059 /nfs/dbraw/zinc/17/80/59/1061178059.db2.gz SLAGMOVECUQXMD-UHFFFAOYSA-N 1 0 308.828 4.475 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001473467414 1061178325 /nfs/dbraw/zinc/17/83/25/1061178325.db2.gz CSGMRRVGYUJILK-CYBMUJFWSA-N 1 0 305.727 4.378 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC001462463563 1061188250 /nfs/dbraw/zinc/18/82/50/1061188250.db2.gz KMTHBMJHQBODLF-APWZRJJASA-N 1 0 303.446 4.331 20 30 DIEDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)c(F)c1)C(C)(C)C2 ZINC001473497642 1061192934 /nfs/dbraw/zinc/19/29/34/1061192934.db2.gz JYVYKUIMQRHQIE-UHFFFAOYSA-N 1 0 308.400 4.343 20 30 DIEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1Cl ZINC001473501330 1061197710 /nfs/dbraw/zinc/19/77/10/1061197710.db2.gz GMXVNPDPBCNQCC-AWEZNQCLSA-N 1 0 314.816 4.331 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC001473509916 1061204099 /nfs/dbraw/zinc/20/40/99/1061204099.db2.gz QXAUUJVRGFBBSL-ROUUACIJSA-N 1 0 321.892 4.454 20 30 DIEDRO CC(C)c1ccccc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001473517661 1061211981 /nfs/dbraw/zinc/21/19/81/1061211981.db2.gz RYKBDNWSEMYWBG-UHFFFAOYSA-N 1 0 322.452 4.330 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001473534988 1061230802 /nfs/dbraw/zinc/23/08/02/1061230802.db2.gz ZYKMZTOMXBZGGG-OAHLLOKOSA-N 1 0 313.828 4.359 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]Cc1ncc(Br)s1 ZINC001462522721 1061232325 /nfs/dbraw/zinc/23/23/25/1061232325.db2.gz ZSAOKNLCVQNOBC-JTQLQIEISA-N 1 0 303.269 4.130 20 30 DIEDRO C#CCCCCCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001473566711 1061252905 /nfs/dbraw/zinc/25/29/05/1061252905.db2.gz VRSFZNNJYDUODS-SJORKVTESA-N 1 0 307.478 4.012 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC001462552747 1061255753 /nfs/dbraw/zinc/25/57/53/1061255753.db2.gz HZYUYMSAEDYGAM-CYBMUJFWSA-N 1 0 305.388 4.241 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC001473579581 1061266919 /nfs/dbraw/zinc/26/69/19/1061266919.db2.gz IKFBAMZDFPJVHO-FQEVSTJZSA-N 1 0 311.469 4.230 20 30 DIEDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001473581234 1061271763 /nfs/dbraw/zinc/27/17/63/1061271763.db2.gz JMODGNWSCMYUKU-OAQYLSRUSA-N 1 0 322.427 4.337 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2CC2CCCC2)c1 ZINC001473595754 1061275182 /nfs/dbraw/zinc/27/51/82/1061275182.db2.gz MPFHCTMPFCFROK-LJQANCHMSA-N 1 0 312.457 4.372 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC001473586866 1061275983 /nfs/dbraw/zinc/27/59/83/1061275983.db2.gz BVRCZKPJXLCHPS-BYPUDFOVSA-N 1 0 318.258 4.198 20 30 DIEDRO C=CCCCC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001473611927 1061288277 /nfs/dbraw/zinc/28/82/77/1061288277.db2.gz IESIUKMVLNJTEC-UHFFFAOYSA-N 1 0 313.272 4.472 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC001473627698 1061298197 /nfs/dbraw/zinc/29/81/97/1061298197.db2.gz NIQXJOLCAQOGLO-ZDUSSCGKSA-N 1 0 311.347 4.220 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001473627492 1061298895 /nfs/dbraw/zinc/29/88/95/1061298895.db2.gz LIAFKJYZQRDYRS-MRXNPFEDSA-N 1 0 315.457 4.430 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC001473627394 1061299122 /nfs/dbraw/zinc/29/91/22/1061299122.db2.gz JRACHEHANOLYAY-ZDUSSCGKSA-N 1 0 303.837 4.015 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC001473627697 1061300679 /nfs/dbraw/zinc/30/06/79/1061300679.db2.gz NIQXJOLCAQOGLO-CYBMUJFWSA-N 1 0 311.347 4.220 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC001473627958 1061301350 /nfs/dbraw/zinc/30/13/50/1061301350.db2.gz VYORFEAGCNFYGP-SOUVJXGZSA-N 1 0 317.395 4.212 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC001473637746 1061307140 /nfs/dbraw/zinc/30/71/40/1061307140.db2.gz LGICYNKTMWHACF-GDBMZVCRSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1C ZINC001473637202 1061307854 /nfs/dbraw/zinc/30/78/54/1061307854.db2.gz DNXMPBFISAQADC-FXAWDEMLSA-N 1 0 309.457 4.405 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CC(=O)N1CCCCc2ccccc21 ZINC001462631893 1061308100 /nfs/dbraw/zinc/30/81/00/1061308100.db2.gz WJPYJOMQDRVINO-SFHVURJKSA-N 1 0 314.473 4.080 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001473635138 1061308387 /nfs/dbraw/zinc/30/83/87/1061308387.db2.gz DYZPSXIBCHHLTM-VQTJNVASSA-N 1 0 303.490 4.445 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCCC1CCCCC1 ZINC001473637971 1061308792 /nfs/dbraw/zinc/30/87/92/1061308792.db2.gz OHAUGZTYJOMMEM-MOPGFXCFSA-N 1 0 320.521 4.188 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473638299 1061311149 /nfs/dbraw/zinc/31/11/49/1061311149.db2.gz SMTAXRDWDVIXJC-MAUKXSAKSA-N 1 0 318.417 4.088 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Br)c1 ZINC001473638454 1061312294 /nfs/dbraw/zinc/31/22/94/1061312294.db2.gz VFJBWQMLHFRMAU-UONOGXRCSA-N 1 0 309.251 4.069 20 30 DIEDRO CCCCCCCC[C@@H](CO)[NH2+]C1CCC2(CCCO2)CC1 ZINC001462652513 1061319337 /nfs/dbraw/zinc/31/93/37/1061319337.db2.gz JCIGDJWDYSMNDR-XBMUEBEBSA-N 1 0 311.510 4.179 20 30 DIEDRO C/C=C\C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473687649 1061345612 /nfs/dbraw/zinc/34/56/12/1061345612.db2.gz HTRMKUKUSMKFQU-SFAKSCPVSA-N 1 0 320.383 4.338 20 30 DIEDRO C[C@@H](CCC#N)[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001473712740 1061363494 /nfs/dbraw/zinc/36/34/94/1061363494.db2.gz MPEFBHRHWDTZNH-KRWDZBQOSA-N 1 0 308.425 4.390 20 30 DIEDRO C=CCCCC[N@@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001473718902 1061367740 /nfs/dbraw/zinc/36/77/40/1061367740.db2.gz RABIRHUAHOOOJR-OYRHEFFESA-N 1 0 312.501 4.187 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001473720006 1061371378 /nfs/dbraw/zinc/37/13/78/1061371378.db2.gz ZMVWHHRWMCRIDR-GOSISDBHSA-N 1 0 302.462 4.383 20 30 DIEDRO CCCCCCCC[N@@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001473723927 1061373446 /nfs/dbraw/zinc/37/34/46/1061373446.db2.gz LVLCHFRXXYCVFM-IBGZPJMESA-N 1 0 305.462 4.429 20 30 DIEDRO CCCCCCCC[N@@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001473723929 1061373570 /nfs/dbraw/zinc/37/35/70/1061373570.db2.gz LVLCHFRXXYCVFM-LJQANCHMSA-N 1 0 305.462 4.429 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](C3CCC3)CC2)cc1 ZINC001473740197 1061383746 /nfs/dbraw/zinc/38/37/46/1061383746.db2.gz CGIPFBLMKSEBCU-LJQANCHMSA-N 1 0 312.457 4.229 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001473739696 1061385189 /nfs/dbraw/zinc/38/51/89/1061385189.db2.gz UGTKBXLHIPDLBM-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCC[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)c1ccccc1 ZINC001473760065 1061396794 /nfs/dbraw/zinc/39/67/94/1061396794.db2.gz VXGYOGBCQLBLNE-GOSISDBHSA-N 1 0 316.489 4.226 20 30 DIEDRO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC1(CC#N)CC1 ZINC001473762355 1061400177 /nfs/dbraw/zinc/40/01/77/1061400177.db2.gz RLFVGHOBYYNBFQ-CQSZACIVSA-N 1 0 304.384 4.227 20 30 DIEDRO COc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1Cl ZINC001473786693 1061408175 /nfs/dbraw/zinc/40/81/75/1061408175.db2.gz IGNMFTWUUYSFSO-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1cccc2ccccc21 ZINC001473804103 1061414137 /nfs/dbraw/zinc/41/41/37/1061414137.db2.gz ADPMXOULURSWKL-FXAWDEMLSA-N 1 0 322.452 4.325 20 30 DIEDRO C=CCCCCCCCCNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001251609455 1061415918 /nfs/dbraw/zinc/41/59/18/1061415918.db2.gz UGHPPTXSMHOSEA-QZTJIDSGSA-N 1 0 323.525 4.027 20 30 DIEDRO C#CC[N@H+](Cc1cccc2c(Br)cccc12)C(C)C ZINC001473817144 1061421782 /nfs/dbraw/zinc/42/17/82/1061421782.db2.gz PUOLXIXCURCIMI-UHFFFAOYSA-N 1 0 316.242 4.446 20 30 DIEDRO C#CC[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCCc2ccccc21 ZINC001473825644 1061425545 /nfs/dbraw/zinc/42/55/45/1061425545.db2.gz BFSRRVUTEGZHBT-HXUWFJFHSA-N 1 0 311.375 4.478 20 30 DIEDRO C#CC[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCCc2ccccc21 ZINC001473825643 1061426039 /nfs/dbraw/zinc/42/60/39/1061426039.db2.gz BFSRRVUTEGZHBT-FQEVSTJZSA-N 1 0 311.375 4.478 20 30 DIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC001473843523 1061431105 /nfs/dbraw/zinc/43/11/05/1061431105.db2.gz FDNLOYSHWGPDKG-FFXXTYGZSA-N 1 0 305.396 4.355 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC001473843585 1061431781 /nfs/dbraw/zinc/43/17/81/1061431781.db2.gz HBWJOFFAWWFRFS-YVNCXZRQSA-N 1 0 318.420 4.115 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c(Cl)c1 ZINC001473844425 1061432688 /nfs/dbraw/zinc/43/26/88/1061432688.db2.gz DBAARXFPUKGMBH-WMZOPIPTSA-N 1 0 300.833 4.222 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CC)cc1OC ZINC001473922774 1061473225 /nfs/dbraw/zinc/47/32/25/1061473225.db2.gz JSNZNWUJNLVVAF-DLBZAZTESA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CC)cc1OC ZINC001473922776 1061473610 /nfs/dbraw/zinc/47/36/10/1061473610.db2.gz JSNZNWUJNLVVAF-IRXDYDNUSA-N 1 0 303.446 4.318 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001457738104 1061493235 /nfs/dbraw/zinc/49/32/35/1061493235.db2.gz NWJXCCQJBRACMU-MOPGFXCFSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC001473958010 1061499343 /nfs/dbraw/zinc/49/93/43/1061499343.db2.gz OVBGVHLGJYEDLR-AEFFLSMTSA-N 1 0 312.457 4.038 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+]Cc1csc(C#N)c1 ZINC001473959613 1061501049 /nfs/dbraw/zinc/50/10/49/1061501049.db2.gz XKFXCVJQYZIIQQ-UHFFFAOYSA-N 1 0 320.845 4.140 20 30 DIEDRO C=C(C[NH2+][C@H]1CCCc2c(cccc2OC)C1)c1ccccc1 ZINC001473982229 1061526506 /nfs/dbraw/zinc/52/65/06/1061526506.db2.gz CYEVMSBARVEJCM-IBGZPJMESA-N 1 0 307.437 4.246 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccnc(O[C@H](C)CC(C)C)c2)cc1 ZINC001474006742 1061547306 /nfs/dbraw/zinc/54/73/06/1061547306.db2.gz ITIVLRLHASSAGK-QGZVFWFLSA-N 1 0 322.452 4.166 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCc2ccc(OC)c(OCC)c2)C1 ZINC001474012798 1061554182 /nfs/dbraw/zinc/55/41/82/1061554182.db2.gz HWLQEVQQQHJCFD-AEFFLSMTSA-N 1 0 317.473 4.361 20 30 DIEDRO Cc1ccc([C@H](C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001474012571 1061554733 /nfs/dbraw/zinc/55/47/33/1061554733.db2.gz QSTSYPAVSZAXFW-QGZVFWFLSA-N 1 0 304.437 4.444 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC001252123584 1061580976 /nfs/dbraw/zinc/58/09/76/1061580976.db2.gz JNRABPIFIMDNEB-OAHLLOKOSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1nc2ccccc2s1 ZINC001252131249 1061589221 /nfs/dbraw/zinc/58/92/21/1061589221.db2.gz KLZHVZCHLSXHRA-HNNXBMFYSA-N 1 0 320.502 4.497 20 30 DIEDRO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001464403290 1061589534 /nfs/dbraw/zinc/58/95/34/1061589534.db2.gz RTFITYWMBWYKMQ-IEBWSBKVSA-N 1 0 314.473 4.027 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](c1ccccn1)C(C)C ZINC001252132658 1061590802 /nfs/dbraw/zinc/59/08/02/1061590802.db2.gz AQGZQGBZGYPTQF-HKUYNNGSSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H](C)c1ccc(O)cc1 ZINC001252132876 1061592151 /nfs/dbraw/zinc/59/21/51/1061592151.db2.gz DJASEYLCEBOHDP-QFBILLFUSA-N 1 0 307.478 4.197 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc2oc(C)nc2c1 ZINC001252135574 1061594359 /nfs/dbraw/zinc/59/43/59/1061594359.db2.gz FRMJFMLRROTPHP-QGZVFWFLSA-N 1 0 318.461 4.337 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc(C(C)=O)cc1 ZINC001252135049 1061594383 /nfs/dbraw/zinc/59/43/83/1061594383.db2.gz WLLOSENKSOEJMS-IBGZPJMESA-N 1 0 305.462 4.090 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001252138477 1061595467 /nfs/dbraw/zinc/59/54/67/1061595467.db2.gz CROYAZDDVCNVKB-QGZVFWFLSA-N 1 0 322.880 4.413 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)c1cc(C)ccn1 ZINC001252138407 1061596035 /nfs/dbraw/zinc/59/60/35/1061596035.db2.gz BILXWBWJTKJIEP-SFHVURJKSA-N 1 0 320.521 4.369 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC1(c2ccc(C)cn2)CC1 ZINC001252140106 1061597389 /nfs/dbraw/zinc/59/73/89/1061597389.db2.gz YVMNDGXKJRYGEO-SFHVURJKSA-N 1 0 318.505 4.123 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC001252139536 1061598308 /nfs/dbraw/zinc/59/83/08/1061598308.db2.gz OWTFWMKADKMRMV-SFHVURJKSA-N 1 0 320.521 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCCc2ccncc21 ZINC001252140795 1061600743 /nfs/dbraw/zinc/60/07/43/1061600743.db2.gz FPGZVJAMAVQFTC-MJGOQNOKSA-N 1 0 304.478 4.160 20 30 DIEDRO C#CCCCC[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC001474067899 1061614253 /nfs/dbraw/zinc/61/42/53/1061614253.db2.gz JHHYNJAHUGNSIB-UHFFFAOYSA-N 1 0 318.617 4.135 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCCc2cccs2)cc1OC ZINC001474071057 1061619762 /nfs/dbraw/zinc/61/97/62/1061619762.db2.gz UJIPOQFVWALIQD-UHFFFAOYSA-N 1 0 317.454 4.044 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001464846454 1061640398 /nfs/dbraw/zinc/64/03/98/1061640398.db2.gz IEPUXBRUTDCHBD-CVTTXWKISA-N 1 0 320.521 4.236 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1C)C(C)C ZINC001464871419 1061643187 /nfs/dbraw/zinc/64/31/87/1061643187.db2.gz PCKJRKFYTNLEIY-CEXWTWQISA-N 1 0 320.521 4.018 20 30 DIEDRO C=C[C@@](C)(O)C[N@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC001252556413 1061663660 /nfs/dbraw/zinc/66/36/60/1061663660.db2.gz DGCMRZYRJQGKCB-OAQYLSRUSA-N 1 0 320.436 4.107 20 30 DIEDRO C=C[C@](C)(O)C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001252557238 1061663845 /nfs/dbraw/zinc/66/38/45/1061663845.db2.gz IJVSIYJKJLJTTP-UWJYYQICSA-N 1 0 320.436 4.058 20 30 DIEDRO C=C[C@](C)(O)C[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001252556257 1061664801 /nfs/dbraw/zinc/66/48/01/1061664801.db2.gz FOPSANGUGFLLIA-CVEARBPZSA-N 1 0 313.363 4.169 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC001474135169 1061668755 /nfs/dbraw/zinc/66/87/55/1061668755.db2.gz SQCYZOHHQJGPLQ-WDEREUQCSA-N 1 0 300.265 4.345 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC001252602033 1061673218 /nfs/dbraw/zinc/67/32/18/1061673218.db2.gz JLCLCLLSSWUGBE-GOSISDBHSA-N 1 0 311.425 4.238 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001252603112 1061673410 /nfs/dbraw/zinc/67/34/10/1061673410.db2.gz LPNJQWGYITUFQP-GOSISDBHSA-N 1 0 311.425 4.238 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001252602891 1061673611 /nfs/dbraw/zinc/67/36/11/1061673611.db2.gz HEPLJZLAAGYOAD-ZIAGYGMSSA-N 1 0 314.256 4.110 20 30 DIEDRO C=CCN(CC1CCCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001465093036 1061677954 /nfs/dbraw/zinc/67/79/54/1061677954.db2.gz FLJNXXJCYCLSDV-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO C=CCC[C@@H](O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001252612143 1061678870 /nfs/dbraw/zinc/67/88/70/1061678870.db2.gz MASHDCYSVBWGKQ-LJQANCHMSA-N 1 0 316.489 4.190 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)c1cccc(C(F)(F)F)c1 ZINC001252618721 1061679726 /nfs/dbraw/zinc/67/97/26/1061679726.db2.gz DSVGIKJQRULDNA-LSDHHAIUSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C1(c2cccc(C)c2)CCC(F)(F)CC1 ZINC001252622232 1061680457 /nfs/dbraw/zinc/68/04/57/1061680457.db2.gz QMPFKBOROZYXAU-KRWDZBQOSA-N 1 0 323.427 4.316 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(C(F)(F)F)c(Cl)c1 ZINC001252624494 1061682537 /nfs/dbraw/zinc/68/25/37/1061682537.db2.gz GPOKEBUMBQLJQH-PWSUYJOCSA-N 1 0 321.770 4.337 20 30 DIEDRO CC1(C)CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001474143348 1061687919 /nfs/dbraw/zinc/68/79/19/1061687919.db2.gz YGDWGGZSXBMPML-FQEVSTJZSA-N 1 0 320.436 4.415 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C2(C3(C)CC3)CC2)ccc1OC ZINC001474145951 1061690934 /nfs/dbraw/zinc/69/09/34/1061690934.db2.gz ZFDLKVLKQMOBSC-UHFFFAOYSA-N 1 0 301.430 4.072 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccnn2-c2ccccc2C)CCCC1 ZINC001474145692 1061691000 /nfs/dbraw/zinc/69/10/00/1061691000.db2.gz VNBMCEBIKKYDQR-UHFFFAOYSA-N 1 0 309.457 4.407 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OCCC(C)C)cc2)cc1 ZINC001474152368 1061695790 /nfs/dbraw/zinc/69/57/90/1061695790.db2.gz HRTIBUPFDUOVNJ-UHFFFAOYSA-N 1 0 307.437 4.383 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cc(C)c(C2OCCO2)cc1C ZINC001474158851 1061700147 /nfs/dbraw/zinc/70/01/47/1061700147.db2.gz AWTLNJCDAGCERW-UHFFFAOYSA-N 1 0 303.446 4.041 20 30 DIEDRO CCC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001252790409 1061717015 /nfs/dbraw/zinc/71/70/15/1061717015.db2.gz ZZZZMUGCVIKXRU-UWJYYQICSA-N 1 0 322.452 4.282 20 30 DIEDRO CCC[C@@H](O)C[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001252789588 1061717754 /nfs/dbraw/zinc/71/77/54/1061717754.db2.gz MWRSOEWAQNNRDA-DYESRHJHSA-N 1 0 322.452 4.282 20 30 DIEDRO CCC[C@@H](O)C[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001252789599 1061719534 /nfs/dbraw/zinc/71/95/34/1061719534.db2.gz MWRSOEWAQNNRDA-LAUBAEHRSA-N 1 0 322.452 4.282 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](CC)CC(F)(F)F)cc1 ZINC001474183344 1061730011 /nfs/dbraw/zinc/73/00/11/1061730011.db2.gz QZFIRGBRMZRQPT-AWEZNQCLSA-N 1 0 313.363 4.157 20 30 DIEDRO N#CCC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CCCCCCC1 ZINC001252846539 1061740739 /nfs/dbraw/zinc/74/07/39/1061740739.db2.gz OSCCKMWPRVSUPZ-LJQANCHMSA-N 1 0 318.436 4.188 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001474204849 1061759004 /nfs/dbraw/zinc/75/90/04/1061759004.db2.gz QGIVNTXRGVQDDS-VQFNDLOPSA-N 1 0 317.473 4.422 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC001474208106 1061763002 /nfs/dbraw/zinc/76/30/02/1061763002.db2.gz RVYJKRBKKUIGDZ-WMLDXEAASA-N 1 0 315.486 4.373 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1F ZINC001474207765 1061763755 /nfs/dbraw/zinc/76/37/55/1061763755.db2.gz FJHWMPWHCVYGNY-HIFRSBDPSA-N 1 0 307.409 4.067 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC001474208105 1061763975 /nfs/dbraw/zinc/76/39/75/1061763975.db2.gz RVYJKRBKKUIGDZ-RHSMWYFYSA-N 1 0 315.486 4.373 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC001474208168 1061764075 /nfs/dbraw/zinc/76/40/75/1061764075.db2.gz UMZBSWUSMMOMSK-DOTOQJQBSA-N 1 0 319.518 4.145 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001252980170 1061768467 /nfs/dbraw/zinc/76/84/67/1061768467.db2.gz QSALEKLMLMCZKT-KSZLIROESA-N 1 0 309.494 4.074 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2cn(C)c3ccccc23)c1 ZINC001474211986 1061769110 /nfs/dbraw/zinc/76/91/10/1061769110.db2.gz GUNQHEGJSRDKGC-UHFFFAOYSA-N 1 0 320.436 4.075 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CCc1ccccn1 ZINC001252980250 1061770188 /nfs/dbraw/zinc/77/01/88/1061770188.db2.gz KTRFNDGUTDIVGD-LJQANCHMSA-N 1 0 306.494 4.105 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001252980169 1061770466 /nfs/dbraw/zinc/77/04/66/1061770466.db2.gz QSALEKLMLMCZKT-FGTMMUONSA-N 1 0 309.494 4.074 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccncc1C ZINC001252982870 1061771178 /nfs/dbraw/zinc/77/11/78/1061771178.db2.gz MUHBIUGHQRQTSR-LJQANCHMSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](C)Cc1cc(C)no1 ZINC001252981030 1061771889 /nfs/dbraw/zinc/77/18/89/1061771889.db2.gz XWYZGYQQFURDSP-FUHWJXTLSA-N 1 0 324.509 4.395 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1csc(C)n1 ZINC001252980492 1061773991 /nfs/dbraw/zinc/77/39/91/1061773991.db2.gz QBMZZBNSAQMUDH-KRWDZBQOSA-N 1 0 312.523 4.433 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC001252984990 1061775414 /nfs/dbraw/zinc/77/54/14/1061775414.db2.gz CDCSDNACQNDIDF-QRVBRYPASA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH+]1CC(c2cccnc2)C1 ZINC001252986770 1061776574 /nfs/dbraw/zinc/77/65/74/1061776574.db2.gz WZQWAZLTTQHHQG-FQEVSTJZSA-N 1 0 318.505 4.373 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC001252984935 1061776982 /nfs/dbraw/zinc/77/69/82/1061776982.db2.gz KZLCNXAQUVNGFT-SFHVURJKSA-N 1 0 311.510 4.133 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](OC)CC1 ZINC001252987768 1061778393 /nfs/dbraw/zinc/77/83/93/1061778393.db2.gz XALSLMMPKMFQMH-GUDVDZBRSA-N 1 0 313.526 4.425 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@]12CCCOC2 ZINC001252988396 1061778893 /nfs/dbraw/zinc/77/88/93/1061778893.db2.gz FNGXZMPLEJBLSB-FHWLQOOXSA-N 1 0 311.510 4.037 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC001474220058 1061778532 /nfs/dbraw/zinc/77/85/32/1061778532.db2.gz VPDAWPJENQHQSY-UHFFFAOYSA-N 1 0 309.837 4.336 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H](C)c1cnccn1 ZINC001252987516 1061780807 /nfs/dbraw/zinc/78/08/07/1061780807.db2.gz UNPFCVLQPVRQIQ-SJORKVTESA-N 1 0 307.482 4.019 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC001474231489 1061795693 /nfs/dbraw/zinc/79/56/93/1061795693.db2.gz RXOGXIUFFCZLQL-UHFFFAOYSA-N 1 0 301.459 4.287 20 30 DIEDRO C[C@](O)(C[N@H+](CCC#N)C1CCCCCCC1)c1ccccc1 ZINC001253101266 1061800779 /nfs/dbraw/zinc/80/07/79/1061800779.db2.gz RLMMPKXCOOWIHV-FQEVSTJZSA-N 1 0 314.473 4.223 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC001474247595 1061816998 /nfs/dbraw/zinc/81/69/98/1061816998.db2.gz BSBXPSWTFKCJNC-QGZVFWFLSA-N 1 0 321.424 4.456 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@]2(C)CC2(C)C)ccc1OC ZINC001474252357 1061819873 /nfs/dbraw/zinc/81/98/73/1061819873.db2.gz PMQMQDXVLNUDJV-IBGZPJMESA-N 1 0 303.446 4.176 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001474255866 1061821954 /nfs/dbraw/zinc/82/19/54/1061821954.db2.gz ALFPVAOPJDGJKY-MJGOQNOKSA-N 1 0 300.490 4.404 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC001474259888 1061829683 /nfs/dbraw/zinc/82/96/83/1061829683.db2.gz KRLOIQBRPIXYIY-UHFFFAOYSA-N 1 0 315.486 4.418 20 30 DIEDRO Fc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1C(F)(F)F ZINC001474262713 1061830509 /nfs/dbraw/zinc/83/05/09/1061830509.db2.gz BDGYATMVNLASAF-DTWKUNHWSA-N 1 0 315.232 4.133 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001253233874 1061836122 /nfs/dbraw/zinc/83/61/22/1061836122.db2.gz PJHDXYZKWZDAEL-HOTGVXAUSA-N 1 0 303.437 4.241 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001253238337 1061836469 /nfs/dbraw/zinc/83/64/69/1061836469.db2.gz CZRHGFAWRCYZNV-HUUCEWRRSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001253234418 1061838805 /nfs/dbraw/zinc/83/88/05/1061838805.db2.gz AXUDUDNYYZTWKF-HNNXBMFYSA-N 1 0 303.437 4.241 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)C(C)(C)C)ccc1OC ZINC001474270108 1061839449 /nfs/dbraw/zinc/83/94/49/1061839449.db2.gz SVHPJXQYGHOOCD-HNNXBMFYSA-N 1 0 305.462 4.422 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](C)C(C)(C)C)ccc1OC ZINC001474270109 1061839467 /nfs/dbraw/zinc/83/94/67/1061839467.db2.gz SVHPJXQYGHOOCD-OAHLLOKOSA-N 1 0 305.462 4.422 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001253241560 1061840230 /nfs/dbraw/zinc/84/02/30/1061840230.db2.gz XPAMKYTZKNQJEW-MRXNPFEDSA-N 1 0 310.869 4.054 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+](CCC)CCc1ccccn1 ZINC001253240996 1061840292 /nfs/dbraw/zinc/84/02/92/1061840292.db2.gz QKDVWNRFVSHTTO-HXUWFJFHSA-N 1 0 318.505 4.224 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001253241275 1061840582 /nfs/dbraw/zinc/84/05/82/1061840582.db2.gz SPPSUAGCUJKKEA-PMACEKPBSA-N 1 0 316.489 4.414 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001253243292 1061840641 /nfs/dbraw/zinc/84/06/41/1061840641.db2.gz UDRXQGLSINYGSX-QZTJIDSGSA-N 1 0 321.505 4.098 20 30 DIEDRO C=CCCCCCC[C@H](O)CNc1ccc2[nH]c(C)[nH+]c2c1 ZINC001253243839 1061842350 /nfs/dbraw/zinc/84/23/50/1061842350.db2.gz AMGUUXFGVDRUOV-INIZCTEOSA-N 1 0 301.434 4.171 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+](C)CCC(=O)c1cccs1 ZINC001253241691 1061842399 /nfs/dbraw/zinc/84/23/99/1061842399.db2.gz ZQBSWHPTYIFHJP-MRXNPFEDSA-N 1 0 323.502 4.140 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)Nc1cc(C)ncc1C ZINC001465948618 1061845648 /nfs/dbraw/zinc/84/56/48/1061845648.db2.gz IEWWTAJWEJCRBC-CQSZACIVSA-N 1 0 305.466 4.238 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCOc2cccc(C)c21 ZINC001253246286 1061846757 /nfs/dbraw/zinc/84/67/57/1061846757.db2.gz MCCFGEVCSAHGHU-ZWKOTPCHSA-N 1 0 317.473 4.296 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001474278637 1061846838 /nfs/dbraw/zinc/84/68/38/1061846838.db2.gz ZEHPKXWYSAATRR-YYIAUSFCSA-N 1 0 322.493 4.014 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001253247372 1061848066 /nfs/dbraw/zinc/84/80/66/1061848066.db2.gz IOZFQGSQRUSMTJ-CQSZACIVSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC001253245637 1061848481 /nfs/dbraw/zinc/84/84/81/1061848481.db2.gz ADJTYDRZUBFPOS-JKSUJKDBSA-N 1 0 315.461 4.101 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1ccccn1)C(C)C ZINC001253249629 1061851009 /nfs/dbraw/zinc/85/10/09/1061851009.db2.gz LMGQLXJVIKCJKD-HKUYNNGSSA-N 1 0 304.478 4.256 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1OC ZINC001253248218 1061851648 /nfs/dbraw/zinc/85/16/48/1061851648.db2.gz RYHOHHJCXRVFEQ-IAGOWNOFSA-N 1 0 305.462 4.233 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc(OCC)cc1 ZINC001253248520 1061851750 /nfs/dbraw/zinc/85/17/50/1061851750.db2.gz WRVQUFXESUKGJY-SFHVURJKSA-N 1 0 305.462 4.062 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cn(C)c2ccccc12 ZINC001253248033 1061851840 /nfs/dbraw/zinc/85/18/40/1061851840.db2.gz OWIMXKQNEYKMBV-GOSISDBHSA-N 1 0 314.473 4.155 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](CC)c1ncccc1C ZINC001253248454 1061852191 /nfs/dbraw/zinc/85/21/91/1061852191.db2.gz VRYSAFPCGDLJMW-QZTJIDSGSA-N 1 0 304.478 4.318 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1ccc(C(C)=O)cc1 ZINC001253252295 1061853499 /nfs/dbraw/zinc/85/34/99/1061853499.db2.gz URARSQLAGASUPF-JXFKEZNVSA-N 1 0 317.473 4.427 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1ccnc(F)c1)C1CC1 ZINC001253252953 1061855011 /nfs/dbraw/zinc/85/50/11/1061855011.db2.gz AFAGOWVXWOQDAT-HKUYNNGSSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccc(F)cn1)C1CC1 ZINC001253255193 1061856103 /nfs/dbraw/zinc/85/61/03/1061856103.db2.gz XQUGCZXLTRYQEY-IEBWSBKVSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1ccncc1C)C1CC1 ZINC001253253814 1061857951 /nfs/dbraw/zinc/85/79/51/1061857951.db2.gz KXDPVJDJMZPCDY-AZUAARDMSA-N 1 0 316.489 4.318 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3csc(C#N)c3)C2)cc1 ZINC001474311101 1061882154 /nfs/dbraw/zinc/88/21/54/1061882154.db2.gz STJHEVRLADYLOX-QGZVFWFLSA-N 1 0 310.466 4.383 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2CC)cc1OC ZINC001474310994 1061883753 /nfs/dbraw/zinc/88/37/53/1061883753.db2.gz BQEFQHAPEGQTDN-CQSZACIVSA-N 1 0 309.837 4.288 20 30 DIEDRO C#CCCC[NH2+]C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253490777 1061903431 /nfs/dbraw/zinc/90/34/31/1061903431.db2.gz MRQKNDVPHZUPFB-IBGZPJMESA-N 1 0 321.892 4.053 20 30 DIEDRO C=C1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC001474336242 1061927282 /nfs/dbraw/zinc/92/72/82/1061927282.db2.gz WIFJZQRKWLWHPR-UHFFFAOYSA-N 1 0 323.484 4.381 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[N@H+](C)CC1COC1 ZINC001253566069 1061930523 /nfs/dbraw/zinc/93/05/23/1061930523.db2.gz WQLMENJPFAVLQZ-IBGZPJMESA-N 1 0 313.526 4.237 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]CCc1cnoc1 ZINC001253565896 1061931517 /nfs/dbraw/zinc/93/15/17/1061931517.db2.gz UOUZZDYMUHCRNF-IBGZPJMESA-N 1 0 324.509 4.479 20 30 DIEDRO C=C[C@@H](O)C[NH+]1CCC(c2ccc(-c3ccccc3)cc2)CC1 ZINC001253585190 1061934868 /nfs/dbraw/zinc/93/48/68/1061934868.db2.gz AKKWCWAFXKFNKM-OAQYLSRUSA-N 1 0 307.437 4.080 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)ccc1C#N ZINC001474360687 1061983916 /nfs/dbraw/zinc/98/39/16/1061983916.db2.gz SLKUTKYHZCLETJ-QFBILLFUSA-N 1 0 320.436 4.253 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)ccc1C#N ZINC001474360688 1061987153 /nfs/dbraw/zinc/98/71/53/1061987153.db2.gz SLKUTKYHZCLETJ-VQIMIIECSA-N 1 0 320.436 4.253 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)ccc1C#N ZINC001474360685 1061987986 /nfs/dbraw/zinc/98/79/86/1061987986.db2.gz SLKUTKYHZCLETJ-APWZRJJASA-N 1 0 320.436 4.253 20 30 DIEDRO N#Cc1cc(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)cs1 ZINC001474367634 1062005424 /nfs/dbraw/zinc/00/54/24/1062005424.db2.gz JJOSOAMQSVOMPO-QGZVFWFLSA-N 1 0 314.429 4.356 20 30 DIEDRO N#Cc1cccc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)n1 ZINC001474385412 1062033095 /nfs/dbraw/zinc/03/30/95/1062033095.db2.gz DMQHFQZMXYTWMV-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO C[C@H](NCc1cccc(C#N)c1F)c1ccc(Cl)c(F)c1 ZINC001254144484 1062034296 /nfs/dbraw/zinc/03/42/96/1062034296.db2.gz DKJDMJKDFTUZOJ-JTQLQIEISA-N 1 0 306.743 4.341 20 30 DIEDRO C=CC1(CC(=O)N(CC)CCC[NH+](CC)CC)CCCCC1 ZINC001466962754 1062035385 /nfs/dbraw/zinc/03/53/85/1062035385.db2.gz UNFRRWSTGGEDJE-UHFFFAOYSA-N 1 0 308.510 4.093 20 30 DIEDRO N#Cc1ccc(C[N@@H+](C/C=C\c2ccc(F)cc2)C2CC2)cc1 ZINC001474390240 1062042174 /nfs/dbraw/zinc/04/21/74/1062042174.db2.gz UBPQEPLHYGQDGJ-UPHRSURJSA-N 1 0 306.384 4.375 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC001474393130 1062044062 /nfs/dbraw/zinc/04/40/62/1062044062.db2.gz JHKZAZSSBITQGI-KGLIPLIRSA-N 1 0 301.409 4.325 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC001474393129 1062044696 /nfs/dbraw/zinc/04/46/96/1062044696.db2.gz JHKZAZSSBITQGI-KBPBESRZSA-N 1 0 301.409 4.325 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](C3CCC(F)(F)CC3)CC2)c1 ZINC001254222965 1062056597 /nfs/dbraw/zinc/05/65/97/1062056597.db2.gz FYAIWRZAGIFZJW-UHFFFAOYSA-N 1 0 304.384 4.316 20 30 DIEDRO C#CC(CC)(CC)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254342049 1062080590 /nfs/dbraw/zinc/08/05/90/1062080590.db2.gz LVVFTHBTKAKEAX-UHFFFAOYSA-N 1 0 312.432 4.311 20 30 DIEDRO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)ccc1C#N ZINC001474415135 1062080865 /nfs/dbraw/zinc/08/08/65/1062080865.db2.gz URXOHQOIUSGCJM-UHFFFAOYSA-N 1 0 319.452 4.097 20 30 DIEDRO CCC[N@H+](CCc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC001459309346 1062082186 /nfs/dbraw/zinc/08/21/86/1062082186.db2.gz KORLAVWXOSTFRM-UHFFFAOYSA-N 1 0 314.379 4.291 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccccc2)CC1 ZINC001254342422 1062082339 /nfs/dbraw/zinc/08/23/39/1062082339.db2.gz PELGANKNWDGCJM-UHFFFAOYSA-N 1 0 308.400 4.319 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CCc2ccccc2)CC1 ZINC001254343156 1062082381 /nfs/dbraw/zinc/08/23/81/1062082381.db2.gz ZDPPRDHMWWYIHI-UHFFFAOYSA-N 1 0 322.427 4.362 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@H](F)CC2)CC1 ZINC001254353254 1062085052 /nfs/dbraw/zinc/08/50/52/1062085052.db2.gz XZHZJTWPQSSAAR-IVMQYODDSA-N 1 0 318.411 4.354 20 30 DIEDRO C[C@@H]1CCC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353291 1062085409 /nfs/dbraw/zinc/08/54/09/1062085409.db2.gz YSQNMQYZWZCILK-VNCLNFNDSA-N 1 0 300.421 4.262 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC3(CC3)CC2)CC1 ZINC001254353482 1062085578 /nfs/dbraw/zinc/08/55/78/1062085578.db2.gz CEBTWTNMWUKYMZ-UHFFFAOYSA-N 1 0 312.432 4.406 20 30 DIEDRO CC[C@@H]1CCC[N@@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254356316 1062085780 /nfs/dbraw/zinc/08/57/80/1062085780.db2.gz OLEVKSSYGYTINS-LMDPOFIKSA-N 1 0 300.421 4.404 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCCC[C@@H](F)C2)CC1 ZINC001254353070 1062085860 /nfs/dbraw/zinc/08/58/60/1062085860.db2.gz OZXVPTFLMJQNJN-LMDPOFIKSA-N 1 0 318.411 4.354 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC001254388779 1062092228 /nfs/dbraw/zinc/09/22/28/1062092228.db2.gz IKMVAHHVHOYDLN-DYESRHJHSA-N 1 0 320.436 4.300 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001474421626 1062096186 /nfs/dbraw/zinc/09/61/86/1062096186.db2.gz LHVNJCKBERJLCN-IHPCNDPISA-N 1 0 300.490 4.231 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCC2(CCCC2)O1 ZINC001459339716 1062099072 /nfs/dbraw/zinc/09/90/72/1062099072.db2.gz AEQZARQLVHDIKR-LJQANCHMSA-N 1 0 315.457 4.175 20 30 DIEDRO CC[N@H+](C[C@@H]1CCCC(C)(C)O1)[C@H](C)c1ccc(C#N)cc1 ZINC001459345214 1062100944 /nfs/dbraw/zinc/10/09/44/1062100944.db2.gz DPNDTTOYJBWTBV-QAPCUYQASA-N 1 0 300.446 4.289 20 30 DIEDRO CC[N@H+](C[C@@H]1CCCC(C)(C)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC001459345229 1062101892 /nfs/dbraw/zinc/10/18/92/1062101892.db2.gz DPNDTTOYJBWTBV-YJBOKZPZSA-N 1 0 300.446 4.289 20 30 DIEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](C3CCC4(CC4)CC3)C2)c1 ZINC001254444875 1062105657 /nfs/dbraw/zinc/10/56/57/1062105657.db2.gz BHEWPGGORYCLMD-IBGZPJMESA-N 1 0 310.441 4.124 20 30 DIEDRO CC[N@H+](CCN(C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC001459355530 1062108151 /nfs/dbraw/zinc/10/81/51/1062108151.db2.gz XDHUSYOGTGLICD-QGZVFWFLSA-N 1 0 307.441 4.078 20 30 DIEDRO CC[N@H+](C[C@@H]1CCCC2(CCC2)O1)[C@H](C)c1ccc(C#N)cc1 ZINC001459355262 1062108346 /nfs/dbraw/zinc/10/83/46/1062108346.db2.gz WOIFSRBVPOOJEJ-APWZRJJASA-N 1 0 312.457 4.433 20 30 DIEDRO CCCCCC[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001474436821 1062114296 /nfs/dbraw/zinc/11/42/96/1062114296.db2.gz PEIVAETXUDYLFG-MRXNPFEDSA-N 1 0 324.472 4.407 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1cccc(C#N)c1 ZINC001459394678 1062128279 /nfs/dbraw/zinc/12/82/79/1062128279.db2.gz FCPBPPSGYCHWHB-INIZCTEOSA-N 1 0 301.393 4.179 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H]1C[C@@H](OC)C12CCC2)c1ccc(F)c(F)c1 ZINC001474450714 1062129056 /nfs/dbraw/zinc/12/90/56/1062129056.db2.gz VUIJQXADAKWYBK-BBWFWOEESA-N 1 0 307.384 4.129 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1C[C@H](OC)C12CCC2)c1ccc(F)c(F)c1 ZINC001474450715 1062129538 /nfs/dbraw/zinc/12/95/38/1062129538.db2.gz VUIJQXADAKWYBK-IKGGRYGDSA-N 1 0 307.384 4.129 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccc(-c2ccccc2)cc1)[C@H]1CCCO1 ZINC001474459843 1062136814 /nfs/dbraw/zinc/13/68/14/1062136814.db2.gz MHPVEORGOUGSLG-BULFRSBZSA-N 1 0 319.448 4.055 20 30 DIEDRO C=CC[N@@H+](CCN(C)Cc1ccccc1)CC1CCCCC1 ZINC001459475977 1062157717 /nfs/dbraw/zinc/15/77/17/1062157717.db2.gz BXEDQPLRRVTXJK-UHFFFAOYSA-N 1 0 300.490 4.187 20 30 DIEDRO C=CCN(CC1CCCCC1)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC001459484069 1062161125 /nfs/dbraw/zinc/16/11/25/1062161125.db2.gz LISVFYJCXCQNSD-GOSISDBHSA-N 1 0 319.420 4.108 20 30 DIEDRO C=CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC001459479655 1062163035 /nfs/dbraw/zinc/16/30/35/1062163035.db2.gz FXDLNRLPZUDFPN-UHFFFAOYSA-N 1 0 318.417 4.042 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1SCC ZINC001474485503 1062163417 /nfs/dbraw/zinc/16/34/17/1062163417.db2.gz LTSNHNNFVAPMHO-WDYCEAGBSA-N 1 0 319.514 4.300 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1SCC ZINC001474485500 1062164637 /nfs/dbraw/zinc/16/46/37/1062164637.db2.gz LTSNHNNFVAPMHO-AYBZRNKSSA-N 1 0 319.514 4.300 20 30 DIEDRO CCCCCCCCC[C@H](C)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001467648332 1062172661 /nfs/dbraw/zinc/17/26/61/1062172661.db2.gz PIZSPSIHZFPOAR-GBESFXJTSA-N 1 0 322.537 4.173 20 30 DIEDRO COc1cccc(C2CC([NH2+][C@@H]3CCc4cc(C#N)ccc43)C2)c1 ZINC001474497752 1062180495 /nfs/dbraw/zinc/18/04/95/1062180495.db2.gz MUOHNWLQSMAEDM-WIXQSORDSA-N 1 0 318.420 4.090 20 30 DIEDRO C=CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001254569691 1062183159 /nfs/dbraw/zinc/18/31/59/1062183159.db2.gz JUIGJGGWXZVHOJ-OAHLLOKOSA-N 1 0 302.418 4.347 20 30 DIEDRO CCC[N@H+](CCC(C)(C)C#N)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001459538839 1062193313 /nfs/dbraw/zinc/19/33/13/1062193313.db2.gz SRNZSDUBKJIXGV-IAGOWNOFSA-N 1 0 306.494 4.376 20 30 DIEDRO C=CCCCCCC[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001474512201 1062194667 /nfs/dbraw/zinc/19/46/67/1062194667.db2.gz BKERUGSHIIGFRN-UHFFFAOYSA-N 1 0 301.430 4.173 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC001254650821 1062215458 /nfs/dbraw/zinc/21/54/58/1062215458.db2.gz XUKXINGEJMVZGS-CQDKDKBSSA-N 1 0 307.235 4.182 20 30 DIEDRO C=CCC1(C[NH2+]CC2(c3ccc4c(c3)OCO4)CC2)CCCC1 ZINC001474520300 1062202577 /nfs/dbraw/zinc/20/25/77/1062202577.db2.gz AJLZFQWCWAWCHZ-UHFFFAOYSA-N 1 0 313.441 4.173 20 30 DIEDRO CC(C[NH2+][C@H]1CC[C@@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC001254634581 1062209509 /nfs/dbraw/zinc/20/95/09/1062209509.db2.gz AGZKANHQRGPSPI-XLIONFOSSA-N 1 0 304.437 4.274 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOc2ccc(-c3ccccc3)cc2)C1 ZINC001254643050 1062210879 /nfs/dbraw/zinc/21/08/79/1062210879.db2.gz ITJFQNORSQLUNO-APWZRJJASA-N 1 0 306.409 4.014 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CCC2)C1 ZINC001254650153 1062212820 /nfs/dbraw/zinc/21/28/20/1062212820.db2.gz XYNYRHRQRSCANP-OLZOCXBDSA-N 1 0 308.347 4.366 20 30 DIEDRO COc1cccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2ccccc2)c1 ZINC001254646068 1062213058 /nfs/dbraw/zinc/21/30/58/1062213058.db2.gz JVRYIHAIBQPLPC-ZAAXVRCTSA-N 1 0 306.409 4.066 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001254647198 1062214823 /nfs/dbraw/zinc/21/48/23/1062214823.db2.gz RQBXLPPCWVOOEV-PKOBYXMFSA-N 1 0 312.457 4.428 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CCC(F)(F)CC2)C1 ZINC001254649925 1062214905 /nfs/dbraw/zinc/21/49/05/1062214905.db2.gz WMQSNGBLLYXLAB-DLBZAZTESA-N 1 0 318.411 4.459 20 30 DIEDRO CCc1ccccc1-c1nc(C[NH2+][C@H]2CC[C@H](C#N)C2)cs1 ZINC001254652992 1062217677 /nfs/dbraw/zinc/21/76/77/1062217677.db2.gz INEHYWFMZJDFIQ-ZFWWWQNUSA-N 1 0 311.454 4.154 20 30 DIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001459570562 1062218008 /nfs/dbraw/zinc/21/80/08/1062218008.db2.gz RZEUXOUVWPYTRE-IBGZPJMESA-N 1 0 323.396 4.296 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001459568353 1062218437 /nfs/dbraw/zinc/21/84/37/1062218437.db2.gz AHQLLBKKSJTNHR-YJYMSZOUSA-N 1 0 312.363 4.420 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc(Cl)c3)n2)C1 ZINC001254658470 1062219200 /nfs/dbraw/zinc/21/92/00/1062219200.db2.gz WKNUVBDSBNTDSB-BXUZGUMPSA-N 1 0 317.845 4.245 20 30 DIEDRO CC(C)(Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254654793 1062220594 /nfs/dbraw/zinc/22/05/94/1062220594.db2.gz AKAKZULYYSQURN-JSGCOSHPSA-N 1 0 310.363 4.308 20 30 DIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254658427 1062221029 /nfs/dbraw/zinc/22/10/29/1062221029.db2.gz WASPOAAPYBEYHS-HIFRSBDPSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254668623 1062221959 /nfs/dbraw/zinc/22/19/59/1062221959.db2.gz GXCMQHBRTASVPF-MRVWCRGKSA-N 1 0 309.240 4.475 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001254670564 1062222243 /nfs/dbraw/zinc/22/22/43/1062222243.db2.gz JOYLLQYBHIFUNT-UPJWGTAASA-N 1 0 309.240 4.475 20 30 DIEDRO Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)c1 ZINC001254669117 1062222579 /nfs/dbraw/zinc/22/25/79/1062222579.db2.gz OMGBGEZQLYRNRV-BZUAXINKSA-N 1 0 318.848 4.184 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001254667428 1062223179 /nfs/dbraw/zinc/22/31/79/1062223179.db2.gz BZRQTZVLGVGQKM-KBAYOESNSA-N 1 0 318.848 4.013 20 30 DIEDRO Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C#N)C3)C2)c1 ZINC001254669116 1062223614 /nfs/dbraw/zinc/22/36/14/1062223614.db2.gz OMGBGEZQLYRNRV-ARFHVFGLSA-N 1 0 318.848 4.184 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(F)cc3Cl)CC2)C1 ZINC001254665926 1062223819 /nfs/dbraw/zinc/22/38/19/1062223819.db2.gz RQJDPULKQXITLG-TZMCWYRMSA-N 1 0 322.811 4.015 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C1 ZINC001254660984 1062224421 /nfs/dbraw/zinc/22/44/21/1062224421.db2.gz NXIUSRWDMQSMFC-SJLPKXTDSA-N 1 0 302.849 4.287 20 30 DIEDRO N#C[C@H]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001254674283 1062225559 /nfs/dbraw/zinc/22/55/59/1062225559.db2.gz WPLFCZKPBQZUMF-BBRMVZONSA-N 1 0 311.404 4.112 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC001254672062 1062226112 /nfs/dbraw/zinc/22/61/12/1062226112.db2.gz XEBVJPVRIVGSRO-UHOFOFEASA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@@H]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cc(F)ccc32)C1 ZINC001254673523 1062226548 /nfs/dbraw/zinc/22/65/48/1062226548.db2.gz MEAFDEBPBLFEIX-CZUORRHYSA-N 1 0 311.404 4.112 20 30 DIEDRO Cc1ccccc1C1CC([N@H+](Cc2cncc(C#N)c2)C2CC2)C1 ZINC001459584206 1062226905 /nfs/dbraw/zinc/22/69/05/1062226905.db2.gz FJNGCMRMQLEAOK-UHFFFAOYSA-N 1 0 317.436 4.172 20 30 DIEDRO C[C@H](c1cccc(Br)c1)[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC001254674964 1062227260 /nfs/dbraw/zinc/22/72/60/1062227260.db2.gz BFDQWHFVERREKT-TYNCELHUSA-N 1 0 307.235 4.134 20 30 DIEDRO CC(C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001459586054 1062227120 /nfs/dbraw/zinc/22/71/20/1062227120.db2.gz AHECQOBYDROZEA-CQSZACIVSA-N 1 0 310.363 4.445 20 30 DIEDRO N#C[C@H]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3c2cccc3F)C1 ZINC001254674212 1062227662 /nfs/dbraw/zinc/22/76/62/1062227662.db2.gz VPJZALCEQMUSMY-ZFWWWQNUSA-N 1 0 311.404 4.112 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC001459589974 1062227853 /nfs/dbraw/zinc/22/78/53/1062227853.db2.gz KKWJGIGCAGFPKA-KRWDZBQOSA-N 1 0 314.473 4.422 20 30 DIEDRO C[C@H](c1cccc(Br)c1)[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC001254674958 1062228183 /nfs/dbraw/zinc/22/81/83/1062228183.db2.gz BFDQWHFVERREKT-JMSVASOKSA-N 1 0 307.235 4.134 20 30 DIEDRO C[N@H+](CC(C)(C)C#N)CC(C)(C)c1ccc(Br)cc1 ZINC001474540203 1062228337 /nfs/dbraw/zinc/22/83/37/1062228337.db2.gz BPBNFZBPJPBNQQ-UHFFFAOYSA-N 1 0 323.278 4.208 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](OCCCC)C1(C)C)c1ccc(F)cc1 ZINC001474543889 1062237766 /nfs/dbraw/zinc/23/77/66/1062237766.db2.gz HKYGCVWMXQBNKG-KSZLIROESA-N 1 0 303.421 4.073 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001474547892 1062242097 /nfs/dbraw/zinc/24/20/97/1062242097.db2.gz NVKWRKQZZGUBQX-OAHLLOKOSA-N 1 0 319.880 4.180 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459611586 1062243229 /nfs/dbraw/zinc/24/32/29/1062243229.db2.gz FSQRONMSIGYJTO-SJORKVTESA-N 1 0 324.509 4.431 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1C[C@H](OC(C)C)C1(C)C)c1ccc(Cl)cc1 ZINC001474558239 1062260363 /nfs/dbraw/zinc/26/03/63/1062260363.db2.gz YHHZMRTZLKNJBA-ULQDDVLXSA-N 1 0 305.849 4.196 20 30 DIEDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001459644795 1062277707 /nfs/dbraw/zinc/27/77/07/1062277707.db2.gz CZMZEELRBYPCRF-OAQYLSRUSA-N 1 0 307.412 4.433 20 30 DIEDRO N#CCC1(C[N@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC001459669757 1062287135 /nfs/dbraw/zinc/28/71/35/1062287135.db2.gz JFARANBWPCEFOZ-OAHLLOKOSA-N 1 0 319.246 4.280 20 30 DIEDRO N#CCC[N@@H+](C1C[C@@H]2CC(=O)C[C@H]2C1)C1CCCCCCC1 ZINC001254950333 1062290721 /nfs/dbraw/zinc/29/07/21/1062290721.db2.gz FBIUTCITOWAPSG-HZPDHXFCSA-N 1 0 302.462 4.073 20 30 DIEDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1(C)C ZINC001474585196 1062291777 /nfs/dbraw/zinc/29/17/77/1062291777.db2.gz LVXNIMAZTAHYED-CEXWTWQISA-N 1 0 312.457 4.117 20 30 DIEDRO CCC1(CC)[C@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1OC ZINC001459696660 1062313783 /nfs/dbraw/zinc/31/37/83/1062313783.db2.gz UYMGFBLZVWYCKY-MOPGFXCFSA-N 1 0 314.473 4.201 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N=C3C)cc1 ZINC001474606160 1062322819 /nfs/dbraw/zinc/32/28/19/1062322819.db2.gz GMHUQJIEQDDOCK-UHFFFAOYSA-N 1 0 314.432 4.308 20 30 DIEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001459710962 1062325267 /nfs/dbraw/zinc/32/52/67/1062325267.db2.gz SLTCOAIWMUYVND-APWZRJJASA-N 1 0 300.446 4.228 20 30 DIEDRO CC[C@@H](CC#N)[N@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001255175570 1062352105 /nfs/dbraw/zinc/35/21/05/1062352105.db2.gz RBHWFZIWONYIGI-VQTJNVASSA-N 1 0 310.441 4.276 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1(C#N)CCCCC1 ZINC001474631968 1062355907 /nfs/dbraw/zinc/35/59/07/1062355907.db2.gz QGNRABHYJDSZAV-CQSZACIVSA-N 1 0 306.400 4.350 20 30 DIEDRO C#CCCCCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001459750218 1062360627 /nfs/dbraw/zinc/36/06/27/1062360627.db2.gz OOLUCBHTCOLHHT-UHFFFAOYSA-N 1 0 308.809 4.264 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC001474647977 1062373529 /nfs/dbraw/zinc/37/35/29/1062373529.db2.gz WSNNHGOGVOMDAY-QGZVFWFLSA-N 1 0 307.441 4.248 20 30 DIEDRO C#CC[N@@H+](Cc1sc2c(cccc2Cl)c1C)C1CSC1 ZINC001474673977 1062406006 /nfs/dbraw/zinc/40/60/06/1062406006.db2.gz AQDZMKCYEUSWKM-UHFFFAOYSA-N 1 0 321.898 4.414 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001474677248 1062407655 /nfs/dbraw/zinc/40/76/55/1062407655.db2.gz HUOGUVCJYGHVGI-FSSWDIPSSA-N 1 0 316.448 4.260 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC001474693376 1062421710 /nfs/dbraw/zinc/42/17/10/1062421710.db2.gz QZMYEDNNIMCZGI-FUHWJXTLSA-N 1 0 300.446 4.213 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(OC3CCCC3)CC2)cc1C#N ZINC001474702025 1062429716 /nfs/dbraw/zinc/42/97/16/1062429716.db2.gz SROKMLJYKGOZFE-UHFFFAOYSA-N 1 0 312.457 4.227 20 30 DIEDRO CCCCC[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC001459831438 1062433670 /nfs/dbraw/zinc/43/36/70/1062433670.db2.gz DSMDJDMSBPPBBE-KRWDZBQOSA-N 1 0 315.461 4.081 20 30 DIEDRO C=CC[N@H+](CCOc1ccc(Cl)c(F)c1)CCc1ccco1 ZINC001459835725 1062435992 /nfs/dbraw/zinc/43/59/92/1062435992.db2.gz OXHCQWPOSRIVTM-UHFFFAOYSA-N 1 0 323.795 4.182 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 ZINC001474713202 1062440552 /nfs/dbraw/zinc/44/05/52/1062440552.db2.gz RLVKMVYLKVBNLU-BRIYLRKRSA-N 1 0 309.494 4.074 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)ccc1F ZINC001459841358 1062441967 /nfs/dbraw/zinc/44/19/67/1062441967.db2.gz XRNYUPWPRWEXRJ-GOSISDBHSA-N 1 0 316.326 4.216 20 30 DIEDRO C[C@@]1(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)CCCS1 ZINC001474727698 1062450455 /nfs/dbraw/zinc/45/04/55/1062450455.db2.gz KSXKGLCMAWLOBF-SFHVURJKSA-N 1 0 300.471 4.023 20 30 DIEDRO C#Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001474743386 1062459473 /nfs/dbraw/zinc/45/94/73/1062459473.db2.gz KOLPBNNQDCEHER-LAUBAEHRSA-N 1 0 304.437 4.133 20 30 DIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(C#N)cc2C)cc1 ZINC001459872321 1062463207 /nfs/dbraw/zinc/46/32/07/1062463207.db2.gz FQISBJYAKXVCJJ-INIZCTEOSA-N 1 0 322.452 4.186 20 30 DIEDRO CC(C)Oc1cccc(C[N@H+](C)CC2CCC(C#N)CC2)c1 ZINC001459885154 1062472691 /nfs/dbraw/zinc/47/26/91/1062472691.db2.gz ZIEZWFQEKVZSCX-UHFFFAOYSA-N 1 0 300.446 4.236 20 30 DIEDRO C#CCOCC[N@@H+](C)[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001459892776 1062477304 /nfs/dbraw/zinc/47/73/04/1062477304.db2.gz IUMSYZJBPMFFLI-KRWDZBQOSA-N 1 0 309.409 4.122 20 30 DIEDRO C#CCOCC[N@@H+](C)[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001459892777 1062478454 /nfs/dbraw/zinc/47/84/54/1062478454.db2.gz IUMSYZJBPMFFLI-QGZVFWFLSA-N 1 0 309.409 4.122 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)ccc1C(F)(F)F ZINC001255636093 1062492811 /nfs/dbraw/zinc/49/28/11/1062492811.db2.gz KVLOPHJOBUEOLO-SSDOTTSWSA-N 1 0 303.221 4.275 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255692846 1062521289 /nfs/dbraw/zinc/52/12/89/1062521289.db2.gz FQRFDEMPFXGUJT-XJKCOSOUSA-N 1 0 308.347 4.256 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC001459955058 1062523425 /nfs/dbraw/zinc/52/34/25/1062523425.db2.gz FHCNHBMXKYFZSW-GFCCVEGCSA-N 1 0 312.251 4.465 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC001459955059 1062523846 /nfs/dbraw/zinc/52/38/46/1062523846.db2.gz FHCNHBMXKYFZSW-LBPRGKRZSA-N 1 0 312.251 4.465 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC001459980866 1062539272 /nfs/dbraw/zinc/53/92/72/1062539272.db2.gz SBMIDZHEUCBMOC-LWGWVAHUSA-N 1 0 309.400 4.375 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001255730610 1062554560 /nfs/dbraw/zinc/55/45/60/1062554560.db2.gz XBIOWAYDMOXQEH-GFCCVEGCSA-N 1 0 318.392 4.107 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001255748519 1062568576 /nfs/dbraw/zinc/56/85/76/1062568576.db2.gz QYIFGQHBEPCFJZ-AWEZNQCLSA-N 1 0 314.429 4.310 20 30 DIEDRO C=CCCCC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001460019175 1062573759 /nfs/dbraw/zinc/57/37/59/1062573759.db2.gz QUCJRMGKSLVLRU-UHFFFAOYSA-N 1 0 302.437 4.009 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001460032203 1062587937 /nfs/dbraw/zinc/58/79/37/1062587937.db2.gz LVLZEFZWNQQXQO-GOSISDBHSA-N 1 0 308.400 4.304 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1CCCc1ccccc1Br ZINC001460038750 1062590558 /nfs/dbraw/zinc/59/05/58/1062590558.db2.gz AIMBMLXMHHIGNH-OAHLLOKOSA-N 1 0 308.263 4.422 20 30 DIEDRO CCCCCCCC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC001460045981 1062596964 /nfs/dbraw/zinc/59/69/64/1062596964.db2.gz PWGSNYRFJSLSAI-UHFFFAOYSA-N 1 0 310.432 4.447 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC001460060139 1062609304 /nfs/dbraw/zinc/60/93/04/1062609304.db2.gz YXLHLZIHHILROW-QGZVFWFLSA-N 1 0 309.523 4.261 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC001460062847 1062610263 /nfs/dbraw/zinc/61/02/63/1062610263.db2.gz GUDOIPQUUXETOB-ZWKOTPCHSA-N 1 0 314.473 4.171 20 30 DIEDRO C[C@@H](Cc1ccccc1F)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001255829741 1062614994 /nfs/dbraw/zinc/61/49/94/1062614994.db2.gz NCLLTZQFXDXCIZ-NSHDSACASA-N 1 0 324.321 4.181 20 30 DIEDRO C[C@@H](Cc1ccccc1F)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001255833830 1062619033 /nfs/dbraw/zinc/61/90/33/1062619033.db2.gz BYNHPRCHXVDWBY-ZDUSSCGKSA-N 1 0 322.383 4.021 20 30 DIEDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC001460083327 1062624724 /nfs/dbraw/zinc/62/47/24/1062624724.db2.gz JZLIRWDIJZLDML-LAUBAEHRSA-N 1 0 320.436 4.410 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ncco2)cc1F)c1ccc(C#N)cc1 ZINC001460089995 1062627225 /nfs/dbraw/zinc/62/72/25/1062627225.db2.gz NXNFHWNKJNPYIP-CYBMUJFWSA-N 1 0 321.355 4.203 20 30 DIEDRO C=C(C)C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1cnn(C(C)C)c1 ZINC001460090509 1062628165 /nfs/dbraw/zinc/62/81/65/1062628165.db2.gz PSDTWHBEYJBCML-MOPGFXCFSA-N 1 0 301.478 4.278 20 30 DIEDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1Cl ZINC001460089750 1062628743 /nfs/dbraw/zinc/62/87/43/1062628743.db2.gz MSOVIVSLJHVPHJ-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC001460104678 1062640360 /nfs/dbraw/zinc/64/03/60/1062640360.db2.gz IZVHXDJMHUXFLY-HNNXBMFYSA-N 1 0 301.352 4.339 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001460143609 1062659683 /nfs/dbraw/zinc/65/96/83/1062659683.db2.gz WAYRIMQBXXLDHI-UKRRQHHQSA-N 1 0 308.263 4.278 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC001460159405 1062671243 /nfs/dbraw/zinc/67/12/43/1062671243.db2.gz DXZIYXOIBKABMB-LJQANCHMSA-N 1 0 324.553 4.312 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1ccccc1C#N ZINC001460164754 1062673207 /nfs/dbraw/zinc/67/32/07/1062673207.db2.gz WZBXBVMAWDXVDV-HLIPFELVSA-N 1 0 320.436 4.204 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC001460181850 1062684798 /nfs/dbraw/zinc/68/47/98/1062684798.db2.gz ZJQINHLVTRRTCE-GOSISDBHSA-N 1 0 308.400 4.249 20 30 DIEDRO C=CCCC1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001470074328 1062698235 /nfs/dbraw/zinc/69/82/35/1062698235.db2.gz CCKJRAVVMCIRCI-SFHVURJKSA-N 1 0 320.521 4.140 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001460215590 1062701734 /nfs/dbraw/zinc/70/17/34/1062701734.db2.gz BBWGKUWARGTNDS-OAHLLOKOSA-N 1 0 313.828 4.359 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC001460224723 1062707507 /nfs/dbraw/zinc/70/75/07/1062707507.db2.gz NBQMPFNRRVFAIF-IBGZPJMESA-N 1 0 323.427 4.457 20 30 DIEDRO C=CCC1(NC(=O)c2ccc(C[NH+](CC)CC)cc2)CCCC1 ZINC001470149550 1062711117 /nfs/dbraw/zinc/71/11/17/1062711117.db2.gz ICOHPGWDZOVTDO-UHFFFAOYSA-N 1 0 314.473 4.147 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC001460226785 1062712330 /nfs/dbraw/zinc/71/23/30/1062712330.db2.gz AKUUNKWPIAJERA-IBGZPJMESA-N 1 0 301.430 4.067 20 30 DIEDRO N#Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001256109861 1062712206 /nfs/dbraw/zinc/71/22/06/1062712206.db2.gz QSUQVPTXHYVSPF-VQTJNVASSA-N 1 0 320.436 4.253 20 30 DIEDRO C#CC(CC)(CC)[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC001256170038 1062740571 /nfs/dbraw/zinc/74/05/71/1062740571.db2.gz IENFMOKYSVEKRE-ZDUSSCGKSA-N 1 0 308.263 4.162 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001256213931 1062750333 /nfs/dbraw/zinc/75/03/33/1062750333.db2.gz DVJJZHSPFGHYIV-DOMZBBRYSA-N 1 0 309.251 4.052 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001256220835 1062751340 /nfs/dbraw/zinc/75/13/40/1062751340.db2.gz QIKMBYXINDCWMC-BBRMVZONSA-N 1 0 308.263 4.162 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001460282558 1062755151 /nfs/dbraw/zinc/75/51/51/1062755151.db2.gz FXQYUIMUWAZENL-INIZCTEOSA-N 1 0 308.263 4.422 20 30 DIEDRO N#Cc1ccc(CC[NH2+]C2(c3cccc(Cl)c3)CCC2)cc1 ZINC001460292426 1062764630 /nfs/dbraw/zinc/76/46/30/1062764630.db2.gz QGFMLLFLBMVKIK-UHFFFAOYSA-N 1 0 310.828 4.423 20 30 DIEDRO C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460299993 1062768330 /nfs/dbraw/zinc/76/83/30/1062768330.db2.gz AUDNIMZQHAFCAB-ZWKOTPCHSA-N 1 0 315.457 4.010 20 30 DIEDRO C=C(CC)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460302208 1062769528 /nfs/dbraw/zinc/76/95/28/1062769528.db2.gz OVBWYWXPXBWGKJ-ZWKOTPCHSA-N 1 0 315.457 4.010 20 30 DIEDRO N#CCC1([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CCCC1 ZINC001256307187 1062771004 /nfs/dbraw/zinc/77/10/04/1062771004.db2.gz KSYSDCRSFBGGNU-UHFFFAOYSA-N 1 0 317.864 4.125 20 30 DIEDRO CC(C)CC[C@H](C)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001256371226 1062790614 /nfs/dbraw/zinc/79/06/14/1062790614.db2.gz LVGVWYRUXDVCJA-INIZCTEOSA-N 1 0 300.446 4.226 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC001460343128 1062792134 /nfs/dbraw/zinc/79/21/34/1062792134.db2.gz NHEBOFPDWPYLMZ-KRWDZBQOSA-N 1 0 318.848 4.397 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC001460364688 1062809135 /nfs/dbraw/zinc/80/91/35/1062809135.db2.gz RFKBSXKVCZRZLN-GFCCVEGCSA-N 1 0 312.226 4.376 20 30 DIEDRO C=CCN(Cc1cc(F)c(C(F)(F)F)cc1F)[C@H](C)COC ZINC001460408488 1062841399 /nfs/dbraw/zinc/84/13/99/1062841399.db2.gz MSZXRFUWPCSCFD-SNVBAGLBSA-N 1 0 323.305 4.007 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(OC)c2ccccc12 ZINC001460408188 1062842186 /nfs/dbraw/zinc/84/21/86/1062842186.db2.gz HUCTXXSENJIGFV-DNVCBOLYSA-N 1 0 310.441 4.468 20 30 DIEDRO Cc1ccccc1SC[C@H](C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001460416896 1062843309 /nfs/dbraw/zinc/84/33/09/1062843309.db2.gz JDLSHAVVZTYHJF-NVXWUHKLSA-N 1 0 302.487 4.349 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1F ZINC001460450007 1062859689 /nfs/dbraw/zinc/85/96/89/1062859689.db2.gz WAMOAIFEADMEJW-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+]CCCCCCS)CCN1Cc1ccccc1 ZINC001256538987 1062864562 /nfs/dbraw/zinc/86/45/62/1062864562.db2.gz UOYRYQNPKINLGE-IEBWSBKVSA-N 1 0 320.546 4.119 20 30 DIEDRO CCCC[C@@H](CC)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC001460455600 1062865025 /nfs/dbraw/zinc/86/50/25/1062865025.db2.gz KCBFNMFLJAVBCG-QGZVFWFLSA-N 1 0 314.473 4.370 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC001256609571 1062914910 /nfs/dbraw/zinc/91/49/10/1062914910.db2.gz OPTMLDIFZSBFAQ-UHFFFAOYSA-N 1 0 320.480 4.339 20 30 DIEDRO C=CCCCC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001460564751 1062916005 /nfs/dbraw/zinc/91/60/05/1062916005.db2.gz VSUZOFBIIULDTA-GOSISDBHSA-N 1 0 300.446 4.159 20 30 DIEDRO Clc1cccc(C#CC[NH+]2CCC3(CCSCC3)CC2)c1 ZINC001460569187 1062916844 /nfs/dbraw/zinc/91/68/44/1062916844.db2.gz YOAQQQYPOSASEZ-UHFFFAOYSA-N 1 0 319.901 4.301 20 30 DIEDRO C=CC[N@H+](C1CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC001256612427 1062917851 /nfs/dbraw/zinc/91/78/51/1062917851.db2.gz IKETYSFGDKKYDD-UHFFFAOYSA-N 1 0 312.501 4.472 20 30 DIEDRO C=C(Br)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC001460599407 1062926376 /nfs/dbraw/zinc/92/63/76/1062926376.db2.gz PKRWIOWEPCCUBS-AWEZNQCLSA-N 1 0 312.226 4.302 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2c(cccc2OC)C1)c1cccc(C#N)c1 ZINC001256638434 1062928166 /nfs/dbraw/zinc/92/81/66/1062928166.db2.gz AXWNZOKVJKWKKV-AZUAARDMSA-N 1 0 320.436 4.165 20 30 DIEDRO C=C(Cl)C[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC001460602071 1062930247 /nfs/dbraw/zinc/93/02/47/1062930247.db2.gz CSZAWYOICNBRJE-YPMHNXCESA-N 1 0 314.654 4.379 20 30 DIEDRO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1CC1(C#N)CC1 ZINC001460635784 1062954750 /nfs/dbraw/zinc/95/47/50/1062954750.db2.gz HJVFTXCEMQHTBB-HNNXBMFYSA-N 1 0 308.347 4.320 20 30 DIEDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001460677838 1062982468 /nfs/dbraw/zinc/98/24/68/1062982468.db2.gz XEWQCYBMHZPJJE-HXUWFJFHSA-N 1 0 312.457 4.372 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256793449 1062983756 /nfs/dbraw/zinc/98/37/56/1062983756.db2.gz PGXOBJRNELSVCL-IOMROCGXSA-N 1 0 318.420 4.055 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001256845171 1063012244 /nfs/dbraw/zinc/01/22/44/1063012244.db2.gz VMIONCFTCJTEPB-UONOGXRCSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001256843037 1063014802 /nfs/dbraw/zinc/01/48/02/1063014802.db2.gz AFUQEALNKJTXOX-ZIAGYGMSSA-N 1 0 321.262 4.006 20 30 DIEDRO CCC1CCC([NH+]2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC001256875035 1063027601 /nfs/dbraw/zinc/02/76/01/1063027601.db2.gz LSPLNSMMFBJBBR-UHFFFAOYSA-N 1 0 312.457 4.370 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCC(CC)CC1)C2 ZINC001256871268 1063028310 /nfs/dbraw/zinc/02/83/10/1063028310.db2.gz LLADZCRILNKQHF-TUNPWDSISA-N 1 0 321.505 4.029 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(F)c(Cl)c1)c1cccc(C#N)c1 ZINC001460746083 1063037492 /nfs/dbraw/zinc/03/74/92/1063037492.db2.gz BBGNXJSNVHTHDG-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001256955801 1063057951 /nfs/dbraw/zinc/05/79/51/1063057951.db2.gz AJOYFJASAMQDAL-UHFFFAOYSA-N 1 0 320.436 4.438 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Br)s1 ZINC001256953427 1063059174 /nfs/dbraw/zinc/05/91/74/1063059174.db2.gz ISQFOZQPUCFCLJ-WHXUTIOJSA-N 1 0 313.264 4.244 20 30 DIEDRO N#CC1CCC([NH2+][C@H]2CCc3c2cccc3OC(F)(F)F)CC1 ZINC001256957902 1063059358 /nfs/dbraw/zinc/05/93/58/1063059358.db2.gz LLYRBIYIHKQWKP-QOZQQMKHSA-N 1 0 324.346 4.244 20 30 DIEDRO N#CC1CCC([NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)CC1 ZINC001256954923 1063059469 /nfs/dbraw/zinc/05/94/69/1063059469.db2.gz OARFELUOZDQDKG-PEVDHWGLSA-N 1 0 312.457 4.186 20 30 DIEDRO N#CC1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC001256950906 1063059538 /nfs/dbraw/zinc/05/95/38/1063059538.db2.gz QLIIVUSTZINBKC-HFLCMSJXSA-N 1 0 319.246 4.108 20 30 DIEDRO N#CC1CCC([NH2+][C@H](c2ccccc2)c2ccc(O)cc2)CC1 ZINC001256959690 1063059634 /nfs/dbraw/zinc/05/96/34/1063059634.db2.gz QJMJYBFIKHPFFA-PKUWUEBNSA-N 1 0 306.409 4.154 20 30 DIEDRO C[Si](C)(C)C[N@H+](Cc1ccccc1)C1CCC(C#N)CC1 ZINC001256969424 1063060475 /nfs/dbraw/zinc/06/04/75/1063060475.db2.gz HZEJSCKOJFZXAY-UHFFFAOYSA-N 1 0 300.522 4.448 20 30 DIEDRO N#CC1CCC([NH2+]C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001256962688 1063061423 /nfs/dbraw/zinc/06/14/23/1063061423.db2.gz TXCMLYSTFGFBEZ-UHFFFAOYSA-N 1 0 318.848 4.018 20 30 DIEDRO N#CC1CCC([N@H+](CCCCCCO)Cc2ccccc2)CC1 ZINC001256972155 1063063848 /nfs/dbraw/zinc/06/38/48/1063063848.db2.gz RWKOXDYVDGADAM-UHFFFAOYSA-N 1 0 314.473 4.124 20 30 DIEDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CCC(C#N)CC1 ZINC001256971527 1063066391 /nfs/dbraw/zinc/06/63/91/1063066391.db2.gz UJTGKMSESYVBEA-UHFFFAOYSA-N 1 0 312.335 4.099 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)C1CCC(CC(=O)OC)CC1 ZINC001256985800 1063069102 /nfs/dbraw/zinc/06/91/02/1063069102.db2.gz CGJBGETZJNZLKC-UHFFFAOYSA-N 1 0 315.457 4.187 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(Br)o1)c1cccc(C#N)c1 ZINC001331984575 1063073251 /nfs/dbraw/zinc/07/32/51/1063073251.db2.gz PHRXVYMDSQQDNM-AWEZNQCLSA-N 1 0 319.202 4.155 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCOc3ccccc3)CC2)cc1 ZINC001257008495 1063073756 /nfs/dbraw/zinc/07/37/56/1063073756.db2.gz LZHWHKKNFOVGQV-UHFFFAOYSA-N 1 0 320.436 4.253 20 30 DIEDRO COc1cccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001257008155 1063074179 /nfs/dbraw/zinc/07/41/79/1063074179.db2.gz HZQDMILDERYMLM-UHFFFAOYSA-N 1 0 320.436 4.383 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001257008730 1063074771 /nfs/dbraw/zinc/07/47/71/1063074771.db2.gz OEYPIWQXJIYQQD-UHFFFAOYSA-N 1 0 315.420 4.246 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3COc4ccccc43)CC2)cc1 ZINC001257010922 1063076730 /nfs/dbraw/zinc/07/67/30/1063076730.db2.gz MTQSEQJQZJQIBO-QLOJAFMTSA-N 1 0 318.420 4.308 20 30 DIEDRO CC(C)c1cc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)on1 ZINC001257011069 1063076977 /nfs/dbraw/zinc/07/69/77/1063076977.db2.gz RSSJHFFXYNRZQH-UHFFFAOYSA-N 1 0 323.440 4.486 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCCc3ccncc3)CC2)cc1 ZINC001257010632 1063078010 /nfs/dbraw/zinc/07/80/10/1063078010.db2.gz DSLONZVVEGZTSU-UHFFFAOYSA-N 1 0 319.452 4.202 20 30 DIEDRO Cc1ncc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC001257010281 1063078715 /nfs/dbraw/zinc/07/87/15/1063078715.db2.gz WLKSFIZKFYPLIM-UHFFFAOYSA-N 1 0 311.454 4.139 20 30 DIEDRO C[C@@]1(CF)CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016519 1063079824 /nfs/dbraw/zinc/07/98/24/1063079824.db2.gz FRXBITSFAJSHMO-ACBHZAAOSA-N 1 0 300.421 4.266 20 30 DIEDRO CO[C@H]1CC[C@@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257015784 1063079946 /nfs/dbraw/zinc/07/99/46/1063079946.db2.gz NFTJAIYWSQMSOI-KHSMEXAKSA-N 1 0 312.457 4.132 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCCC3(F)F)CC2)cc1 ZINC001257012607 1063080566 /nfs/dbraw/zinc/08/05/66/1063080566.db2.gz KYEKFDMYGZVYEZ-OFLPRAFFSA-N 1 0 304.384 4.362 20 30 DIEDRO C[C@H]1C[C@@H](CF)[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257017174 1063080621 /nfs/dbraw/zinc/08/06/21/1063080621.db2.gz QGJAWXHESLBGMT-QKHJWGRCSA-N 1 0 300.421 4.264 20 30 DIEDRO C[C@@]1(F)CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1F ZINC001257017681 1063081119 /nfs/dbraw/zinc/08/11/19/1063081119.db2.gz YHHSBSJGFRTXRQ-CSODTCANSA-N 1 0 318.411 4.356 20 30 DIEDRO Cc1cccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1O ZINC001257014871 1063081291 /nfs/dbraw/zinc/08/12/91/1063081291.db2.gz RUFOXWFBAMTEBS-UHFFFAOYSA-N 1 0 320.436 4.388 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001257017241 1063081387 /nfs/dbraw/zinc/08/13/87/1063081387.db2.gz SGXOLHHHEIAFKV-XVAXZDLZSA-N 1 0 324.468 4.087 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H](F)CC3)CC2)cc1 ZINC001257017423 1063081706 /nfs/dbraw/zinc/08/17/06/1063081706.db2.gz TWSARFHDOWHNSR-JLAWEPINSA-N 1 0 300.421 4.408 20 30 DIEDRO N#Cc1ccc(C2CCC(Nc3ccc(C[NH3+])c(F)c3)CC2)cc1 ZINC001257015268 1063082003 /nfs/dbraw/zinc/08/20/03/1063082003.db2.gz HMJVPRXGWXBDCN-UHFFFAOYSA-N 1 0 323.415 4.294 20 30 DIEDRO CC(C)[N@H+](C1CCC(c2ccc(C#N)cc2)CC1)C(C)(C)CN ZINC001257016064 1063082166 /nfs/dbraw/zinc/08/21/66/1063082166.db2.gz UHJQGDHSXNBMNB-UHFFFAOYSA-N 1 0 313.489 4.032 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@]4(C3)CCCCO4)CC2)cc1 ZINC001257016952 1063082603 /nfs/dbraw/zinc/08/26/03/1063082603.db2.gz LFYZZQQUZKLSGD-CBNMVNINSA-N 1 0 324.468 4.229 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257021499 1063084636 /nfs/dbraw/zinc/08/46/36/1063084636.db2.gz VEVKUUFJNFYNHB-KKXNLOMOSA-N 1 0 307.441 4.210 20 30 DIEDRO Cc1ccc(C[N@@H+](C)C2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC001257022166 1063085325 /nfs/dbraw/zinc/08/53/25/1063085325.db2.gz HTCDTLNFCORKIV-UHFFFAOYSA-N 1 0 319.452 4.420 20 30 DIEDRO Cc1ncccc1C[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257023164 1063087056 /nfs/dbraw/zinc/08/70/56/1063087056.db2.gz WSNMKXNGCMSMRS-UHFFFAOYSA-N 1 0 319.452 4.420 20 30 DIEDRO C#CC[N@@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCc2ccccc21 ZINC001460840330 1063093106 /nfs/dbraw/zinc/09/31/06/1063093106.db2.gz ZKIOMJQZLBEZHT-OEMYIYORSA-N 1 0 311.469 4.203 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CCCc3ccsc3)CC2)cc1 ZINC001460857163 1063103887 /nfs/dbraw/zinc/10/38/87/1063103887.db2.gz IVXPQKYTSPVEPP-UHFFFAOYSA-N 1 0 310.466 4.432 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1)C(C)(C)C ZINC001257141963 1063122594 /nfs/dbraw/zinc/12/25/94/1063122594.db2.gz KSNYUSYOTJCOGD-JKSUJKDBSA-N 1 0 324.509 4.451 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNc1nc2cc(C)ccc2o1)C(C)C ZINC001472652847 1063123228 /nfs/dbraw/zinc/12/32/28/1063123228.db2.gz URHGVQWBIILCAL-KRWDZBQOSA-N 1 0 313.445 4.247 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001460902277 1063126427 /nfs/dbraw/zinc/12/64/27/1063126427.db2.gz UBOQQCYNMGAARZ-KRWDZBQOSA-N 1 0 324.509 4.312 20 30 DIEDRO C#C[C@@H]1CCCC[N@H+]1CCCCCn1c(C)nc2ccccc21 ZINC001460915179 1063134510 /nfs/dbraw/zinc/13/45/10/1063134510.db2.gz GLZYPVRUNNPYPB-GOSISDBHSA-N 1 0 309.457 4.003 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CCc1ccc(C(C)C)cc1 ZINC001461002393 1063177038 /nfs/dbraw/zinc/17/70/38/1063177038.db2.gz ZRQHEZCWIPFDIS-UHFFFAOYSA-N 1 0 307.437 4.154 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257275365 1063177484 /nfs/dbraw/zinc/17/74/84/1063177484.db2.gz RVOLFINNHDZXQJ-HNAYVOBHSA-N 1 0 310.441 4.451 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[N@@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC001257285074 1063179802 /nfs/dbraw/zinc/17/98/02/1063179802.db2.gz MXOFVIGZNREWKP-IIBYNOLFSA-N 1 0 322.452 4.405 20 30 DIEDRO CC[N@H+](CCC#N)[C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257283558 1063180354 /nfs/dbraw/zinc/18/03/54/1063180354.db2.gz WSKPIBGBTYOYBI-INIZCTEOSA-N 1 0 310.441 4.405 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001472726536 1063188606 /nfs/dbraw/zinc/18/86/06/1063188606.db2.gz GKLJKTUQWGXJPS-NVXWUHKLSA-N 1 0 323.415 4.081 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC001461037499 1063205170 /nfs/dbraw/zinc/20/51/70/1063205170.db2.gz TZTOBHWEDZCOCQ-OTWHNJEPSA-N 1 0 306.538 4.489 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC001461037492 1063205409 /nfs/dbraw/zinc/20/54/09/1063205409.db2.gz TZTOBHWEDZCOCQ-FHWLQOOXSA-N 1 0 306.538 4.489 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC001472769338 1063221537 /nfs/dbraw/zinc/22/15/37/1063221537.db2.gz MVGKHNYKWWXYDU-MRXNPFEDSA-N 1 0 315.436 4.215 20 30 DIEDRO Cc1ccccc1[C@H]([C@H](C)Nc1cc(F)ccc1C#N)[NH+](C)C ZINC001472778108 1063227111 /nfs/dbraw/zinc/22/71/11/1063227111.db2.gz XJHLSLXLYDOWNY-LIRRHRJNSA-N 1 0 311.404 4.109 20 30 DIEDRO CCCCCC1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001257374279 1063242545 /nfs/dbraw/zinc/24/25/45/1063242545.db2.gz WBADDIMRGQASGK-BDVYOWHSSA-N 1 0 307.503 4.400 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCC(C)(C)c1ccccc1 ZINC001461094850 1063251766 /nfs/dbraw/zinc/25/17/66/1063251766.db2.gz ZERWZRUFTMCAAE-UHFFFAOYSA-N 1 0 321.468 4.082 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(C)s2)cc(OC)c1O ZINC001461106931 1063257584 /nfs/dbraw/zinc/25/75/84/1063257584.db2.gz RLRBCEBXYGVSTH-ZDUSSCGKSA-N 1 0 317.454 4.350 20 30 DIEDRO CCCC[C@H](CC)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001257413464 1063263333 /nfs/dbraw/zinc/26/33/33/1063263333.db2.gz WPKHNRFIVXLJPB-IBGZPJMESA-N 1 0 313.489 4.103 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](CC)CCCC)[C@H]2CC ZINC001257420344 1063265567 /nfs/dbraw/zinc/26/55/67/1063265567.db2.gz LCYXATAMWFPMHW-HBFSDRIKSA-N 1 0 320.521 4.377 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H](CC)CCCC)CCO2 ZINC001257421510 1063267085 /nfs/dbraw/zinc/26/70/85/1063267085.db2.gz OYPWJKLVKNOFNO-IPMKNSEASA-N 1 0 309.494 4.029 20 30 DIEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3CCCCC3)cc(C#N)c21 ZINC001257451983 1063284665 /nfs/dbraw/zinc/28/46/65/1063284665.db2.gz CETGGIDBTFVNGZ-AWEZNQCLSA-N 1 0 323.440 4.026 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@@H](C)CC[C@@H](C)CCC)C2)C1=O ZINC001257477409 1063296734 /nfs/dbraw/zinc/29/67/34/1063296734.db2.gz JLIYUPOMRIXOKU-BJLQDIEVSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCCC[NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257488871 1063307292 /nfs/dbraw/zinc/30/72/92/1063307292.db2.gz JPESRUAJNLHEFT-UHFFFAOYSA-N 1 0 307.478 4.034 20 30 DIEDRO CCCCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001257505417 1063313776 /nfs/dbraw/zinc/31/37/76/1063313776.db2.gz VFKWTYFTGMJCBY-KRWDZBQOSA-N 1 0 313.489 4.081 20 30 DIEDRO CCCCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001257505418 1063314723 /nfs/dbraw/zinc/31/47/23/1063314723.db2.gz VFKWTYFTGMJCBY-QGZVFWFLSA-N 1 0 313.489 4.081 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)=O)C1 ZINC001257549692 1063330145 /nfs/dbraw/zinc/33/01/45/1063330145.db2.gz CFIJBRRYLHIGLF-HKUYNNGSSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCCC[C@H](C)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001257550908 1063332847 /nfs/dbraw/zinc/33/28/47/1063332847.db2.gz XITMDKJJRBDGKZ-DLBZAZTESA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[N@H+]1CCc2nncn2CC1 ZINC001257550999 1063333660 /nfs/dbraw/zinc/33/36/60/1063333660.db2.gz ZRUWTZZWCBPPGW-QGZVFWFLSA-N 1 0 306.498 4.056 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)C1 ZINC001461265302 1063377882 /nfs/dbraw/zinc/37/78/82/1063377882.db2.gz NVWBPMHQAQALGL-OLMNPRSZSA-N 1 0 306.881 4.277 20 30 DIEDRO CCC[N@H+](CCC#N)C1CCC(OCc2ccccc2)CC1 ZINC001257833503 1063398672 /nfs/dbraw/zinc/39/86/72/1063398672.db2.gz WXDDGXQNKRJIRW-UHFFFAOYSA-N 1 0 300.446 4.140 20 30 DIEDRO COC(=O)C1CCC([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001257865046 1063408574 /nfs/dbraw/zinc/40/85/74/1063408574.db2.gz FUJSGPRZZADTOD-UHFFFAOYSA-N 1 0 320.477 4.047 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)cc1F ZINC001473113094 1063413634 /nfs/dbraw/zinc/41/36/34/1063413634.db2.gz WMHLMPDVVJWYKK-IBGZPJMESA-N 1 0 308.400 4.295 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC001473119962 1063422714 /nfs/dbraw/zinc/42/27/14/1063422714.db2.gz ZNPYKUFYWDEWNS-UHFFFAOYSA-N 1 0 320.436 4.239 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1F)C[C@@H](Cc1ccccc1)OC ZINC001473118846 1063423889 /nfs/dbraw/zinc/42/38/89/1063423889.db2.gz XJPGVEFRQBQLFF-LJQANCHMSA-N 1 0 313.416 4.071 20 30 DIEDRO C[N@H+](CCOc1ccccc1C#N)C1CCC(C(C)(C)C)CC1 ZINC001473126258 1063430060 /nfs/dbraw/zinc/43/00/60/1063430060.db2.gz IRNNHYBLDWWFHC-UHFFFAOYSA-N 1 0 314.473 4.474 20 30 DIEDRO C=C1C[C@@H]2CC([N@H+]3CCN(C4CCCCC4)[C@@H](C)C3)C[C@H](C1)C2 ZINC001257894466 1063430482 /nfs/dbraw/zinc/43/04/82/1063430482.db2.gz WEFHFJADHNCVLH-FCJLEINESA-N 1 0 316.533 4.460 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](OC)C1CCCCC1 ZINC001473136223 1063444023 /nfs/dbraw/zinc/44/40/23/1063444023.db2.gz BSLDPKQINRKEOS-FQEVSTJZSA-N 1 0 301.474 4.312 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2c(C)cc(C)cc2C)cc1 ZINC001461368188 1063449789 /nfs/dbraw/zinc/44/97/89/1063449789.db2.gz DVIPUAXSPXVXTO-UHFFFAOYSA-N 1 0 321.464 4.346 20 30 DIEDRO C=CC[N@@H+](Cc1ccc2c(c1)OCCO2)CC1CCCCC1 ZINC001473163650 1063465565 /nfs/dbraw/zinc/46/55/65/1063465565.db2.gz NVBVRHWQUCUZGQ-UHFFFAOYSA-N 1 0 301.430 4.026 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC001546268369 1063466699 /nfs/dbraw/zinc/46/66/99/1063466699.db2.gz BQFSEXKLSFNGNX-XNVVNFSMSA-N 1 0 308.510 4.234 20 30 DIEDRO CCCCCCC[C@@H](C)n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001258039022 1063471849 /nfs/dbraw/zinc/47/18/49/1063471849.db2.gz IWPQPQDQAKYLSB-MRXNPFEDSA-N 1 0 314.477 4.368 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1CCC2(CCC(=O)N2)CC1 ZINC001258039810 1063471923 /nfs/dbraw/zinc/47/19/23/1063471923.db2.gz YJVSMQWUVODPEI-MUYFXNHWSA-N 1 0 308.510 4.164 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccnc(-c2cnn(C)c2)c1 ZINC001258040729 1063472890 /nfs/dbraw/zinc/47/28/90/1063472890.db2.gz HPHFBNNCJJIOAO-INIZCTEOSA-N 1 0 314.477 4.321 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCC2(CCC(=O)N2C)CC1 ZINC001258042739 1063474398 /nfs/dbraw/zinc/47/43/98/1063474398.db2.gz WTFRPFPHSJTRNU-LRYGQEGESA-N 1 0 308.510 4.259 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](COC)[C@@H](O)c1ccccc1 ZINC001258041264 1063474694 /nfs/dbraw/zinc/47/46/94/1063474694.db2.gz RBXBUTYLCOXZMZ-WDSOQIARSA-N 1 0 307.478 4.074 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1(c2cc(OC)ccn2)CC1 ZINC001258042968 1063474979 /nfs/dbraw/zinc/47/49/79/1063474979.db2.gz FYDDTCJXNONXAX-INIZCTEOSA-N 1 0 304.478 4.460 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC001258041362 1063475559 /nfs/dbraw/zinc/47/55/59/1063475559.db2.gz RZLLIKXSZUUCJT-ZDUSSCGKSA-N 1 0 305.388 4.284 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cncn1C1CCOCC1 ZINC001258042961 1063475676 /nfs/dbraw/zinc/47/56/76/1063475676.db2.gz FSBKSYOLRUMZIQ-MRXNPFEDSA-N 1 0 307.482 4.073 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CCc1nc2ccccc2n1C ZINC001258041863 1063475691 /nfs/dbraw/zinc/47/56/91/1063475691.db2.gz BGNIBWQIPDPXLP-MRXNPFEDSA-N 1 0 301.478 4.454 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CCN(C(C)=O)C2)CC1 ZINC001258044248 1063477369 /nfs/dbraw/zinc/47/73/69/1063477369.db2.gz KQUIJKSRCLBKTH-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cncnc1C(F)(F)F ZINC001258044183 1063478029 /nfs/dbraw/zinc/47/80/29/1063478029.db2.gz YMGNABVKNUTKPH-GFCCVEGCSA-N 1 0 303.372 4.334 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H](C)CCCCCCC)C2)C1=O ZINC001258043676 1063478057 /nfs/dbraw/zinc/47/80/57/1063478057.db2.gz FKNYNWMXDBNHTL-AZUAARDMSA-N 1 0 320.521 4.236 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001258046668 1063478206 /nfs/dbraw/zinc/47/82/06/1063478206.db2.gz CCGZEEIDCULCOS-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CCC(=O)N2CC)CC1 ZINC001258044306 1063478359 /nfs/dbraw/zinc/47/83/59/1063478359.db2.gz LOINSSTXDTZCOO-QGZVFWFLSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001258044633 1063478443 /nfs/dbraw/zinc/47/84/43/1063478443.db2.gz RZPRPYORKWAXGB-DLBZAZTESA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1(c2ncccc2OC)CC1 ZINC001258044266 1063478690 /nfs/dbraw/zinc/47/86/90/1063478690.db2.gz ZUKKBOAJORINGT-INIZCTEOSA-N 1 0 304.478 4.460 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001258045098 1063478880 /nfs/dbraw/zinc/47/88/80/1063478880.db2.gz WJNYUNVHZGUJHQ-SJORKVTESA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CCN(C(C)C)C2=O)CC1 ZINC001258050168 1063480751 /nfs/dbraw/zinc/48/07/51/1063480751.db2.gz RGVHQBVSUJMHNP-SFHVURJKSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001258050341 1063480814 /nfs/dbraw/zinc/48/08/14/1063480814.db2.gz SHDFWLPSEKRNTA-INIZCTEOSA-N 1 0 310.482 4.042 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001258050928 1063481550 /nfs/dbraw/zinc/48/15/50/1063481550.db2.gz ZPWPBDSOSWBAHJ-OAHLLOKOSA-N 1 0 301.478 4.461 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001258047530 1063482303 /nfs/dbraw/zinc/48/23/03/1063482303.db2.gz LSJVJEZUGFIJCD-SXLOBPIMSA-N 1 0 323.521 4.395 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1C#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC001473176148 1063482698 /nfs/dbraw/zinc/48/26/98/1063482698.db2.gz SOSCKTVRGUGTDC-ZWKOTPCHSA-N 1 0 318.436 4.113 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+][C@H](CO)[C@H]1CCOC1 ZINC001258052158 1063484539 /nfs/dbraw/zinc/48/45/39/1063484539.db2.gz LNRBWAATMNGXBL-GBESFXJTSA-N 1 0 313.526 4.283 20 30 DIEDRO CCCCCCC[C@H](C)N(c1ccnc(C)n1)C1CC[NH2+]CC1 ZINC001258051603 1063485199 /nfs/dbraw/zinc/48/51/99/1063485199.db2.gz GNSVUZQZQMHZKA-INIZCTEOSA-N 1 0 318.509 4.092 20 30 DIEDRO C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC001473188239 1063497744 /nfs/dbraw/zinc/49/77/44/1063497744.db2.gz WWGQBLTZRYGKLA-LPHOPBHVSA-N 1 0 324.424 4.393 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC001461431732 1063498912 /nfs/dbraw/zinc/49/89/12/1063498912.db2.gz QOGLUTJJQHOQFT-DNVCBOLYSA-N 1 0 322.456 4.017 20 30 DIEDRO C=C[C@H](COC)[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001461448651 1063513890 /nfs/dbraw/zinc/51/38/90/1063513890.db2.gz RYYOPRKVTNCHOY-GOSISDBHSA-N 1 0 301.817 4.298 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](C)CCC=C(C)C)CC2 ZINC001258092893 1063514398 /nfs/dbraw/zinc/51/43/98/1063514398.db2.gz MPIIIXZRBNCCHK-AZUAARDMSA-N 1 0 318.505 4.154 20 30 DIEDRO C=C[C@@H](COC)[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC001461453066 1063514930 /nfs/dbraw/zinc/51/49/30/1063514930.db2.gz IMKZVZZPGOYDMT-INIZCTEOSA-N 1 0 308.425 4.105 20 30 DIEDRO C=C[C@H](COC)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001461454085 1063516055 /nfs/dbraw/zinc/51/60/55/1063516055.db2.gz WERDLMJMTVAZFV-MRXNPFEDSA-N 1 0 319.351 4.048 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)cs1 ZINC001461486217 1063531223 /nfs/dbraw/zinc/53/12/23/1063531223.db2.gz QNLDDVSQHNBBHL-GOEBONIOSA-N 1 0 300.402 4.185 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001461498247 1063538893 /nfs/dbraw/zinc/53/88/93/1063538893.db2.gz MPJSLRHFRBRYGS-UHFFFAOYSA-N 1 0 323.278 4.105 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cnc(C)n2-c2ccccc2)CCCC1 ZINC001461500084 1063541168 /nfs/dbraw/zinc/54/11/68/1063541168.db2.gz JLZRGRHGUBBOPR-UHFFFAOYSA-N 1 0 309.457 4.407 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cn(C)nc2-c2cccs2)CCCC1 ZINC001461502088 1063541844 /nfs/dbraw/zinc/54/18/44/1063541844.db2.gz QLUQYDXWJYNTNT-UHFFFAOYSA-N 1 0 315.486 4.375 20 30 DIEDRO C[C@H](Cc1ccco1)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001258192497 1063554106 /nfs/dbraw/zinc/55/41/06/1063554106.db2.gz NDIZZABJLMGCFT-MRXNPFEDSA-N 1 0 308.425 4.037 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(C=C)cc2)cc1OC ZINC001461523516 1063557546 /nfs/dbraw/zinc/55/75/46/1063557546.db2.gz VIVRQXJJWYDINT-UHFFFAOYSA-N 1 0 323.436 4.235 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258224147 1063564980 /nfs/dbraw/zinc/56/49/80/1063564980.db2.gz AMWTYJHVVSXQQP-KXBFYZLASA-N 1 0 323.477 4.250 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001461537025 1063566021 /nfs/dbraw/zinc/56/60/21/1063566021.db2.gz DLGUTYVEGNJILS-IBGZPJMESA-N 1 0 304.437 4.385 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001258228117 1063567995 /nfs/dbraw/zinc/56/79/95/1063567995.db2.gz DJKQSGOBAUKRRG-FUHWJXTLSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCCC[C@@H](C)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001258228637 1063568512 /nfs/dbraw/zinc/56/85/12/1063568512.db2.gz IXVKOUFFYSUHSA-SJORKVTESA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCCCC[C@@H](C)N1CC[NH+](C2CCOCC2)CC1 ZINC001258228429 1063568563 /nfs/dbraw/zinc/56/85/63/1063568563.db2.gz GZEXRXPODPZYDK-LJQANCHMSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC001258228084 1063569286 /nfs/dbraw/zinc/56/92/86/1063569286.db2.gz CXKVOLWYHUSBDU-VQTJNVASSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001258232294 1063571137 /nfs/dbraw/zinc/57/11/37/1063571137.db2.gz JAMOIQYXTGJQCL-KRWDZBQOSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001258232197 1063571334 /nfs/dbraw/zinc/57/13/34/1063571334.db2.gz CAPGRCFDUANWNJ-KRWDZBQOSA-N 1 0 324.509 4.480 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001258231629 1063572514 /nfs/dbraw/zinc/57/25/14/1063572514.db2.gz RYRTXFJAVQWSIH-MRXNPFEDSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC001258230732 1063572643 /nfs/dbraw/zinc/57/26/43/1063572643.db2.gz BKQNWEGKYGXWAK-INIZCTEOSA-N 1 0 304.478 4.404 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2CCCOC2)cc1 ZINC001461550362 1063575483 /nfs/dbraw/zinc/57/54/83/1063575483.db2.gz GCQNXPRULJJLAY-GOSISDBHSA-N 1 0 305.462 4.304 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCCCCCC1)C2 ZINC001258240882 1063578560 /nfs/dbraw/zinc/57/85/60/1063578560.db2.gz UPBVPVRJKLFQGM-WOJBJXKFSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC001461571520 1063586298 /nfs/dbraw/zinc/58/62/98/1063586298.db2.gz SGWPKZNCEVCWOX-JXFKEZNVSA-N 1 0 307.437 4.287 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCC(C)(C)C2)cc(OC)c1O ZINC001461577052 1063589640 /nfs/dbraw/zinc/58/96/40/1063589640.db2.gz AOIXKDTUSJWOCR-OAHLLOKOSA-N 1 0 317.473 4.435 20 30 DIEDRO CCc1cccc(F)c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC001461585813 1063594884 /nfs/dbraw/zinc/59/48/84/1063594884.db2.gz OUDMAADMKCBVLJ-FQEVSTJZSA-N 1 0 308.400 4.427 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCCC(C)(C)C2)cc1 ZINC001461586121 1063595969 /nfs/dbraw/zinc/59/59/69/1063595969.db2.gz ZVKHKONZUGKEHW-SFHVURJKSA-N 1 0 313.489 4.342 20 30 DIEDRO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001258313609 1063603068 /nfs/dbraw/zinc/60/30/68/1063603068.db2.gz FSCSIGDWFMJQRW-CABCVRRESA-N 1 0 306.475 4.306 20 30 DIEDRO C[C@@H]1Cc2cc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)ccc2O1 ZINC001461613628 1063613405 /nfs/dbraw/zinc/61/34/05/1063613405.db2.gz WDRGUVXTYMIFBC-OAHLLOKOSA-N 1 0 318.420 4.051 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c1 ZINC001461629360 1063625144 /nfs/dbraw/zinc/62/51/44/1063625144.db2.gz OJAQUXMPVVWUJA-UHFFFAOYSA-N 1 0 310.441 4.022 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2ccc(F)c(Cl)c2Cl)cc1 ZINC001461633853 1063626282 /nfs/dbraw/zinc/62/62/82/1063626282.db2.gz RUDAERNDAJNBPB-UHFFFAOYSA-N 1 0 323.198 4.336 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001461635330 1063628322 /nfs/dbraw/zinc/62/83/22/1063628322.db2.gz XNJPMRNHXVSAOK-CXAGYDPISA-N 1 0 308.416 4.255 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cccnc2Br)CCCC1 ZINC001461635223 1063628520 /nfs/dbraw/zinc/62/85/20/1063628520.db2.gz WZNPDMWVVPJEMR-UHFFFAOYSA-N 1 0 323.278 4.460 20 30 DIEDRO C=CCOCc1nn(C(CCCC)CCCC)c2c1C[NH2+]C2 ZINC001258386350 1063628840 /nfs/dbraw/zinc/62/88/40/1063628840.db2.gz XXROSQOXTDXLBJ-UHFFFAOYSA-N 1 0 305.466 4.110 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+]C(C)(C)c2ccc(C#N)cc2)cc1 ZINC001258388984 1063632717 /nfs/dbraw/zinc/63/27/17/1063632717.db2.gz GEDSATCNYUZBSS-MRXNPFEDSA-N 1 0 322.452 4.413 20 30 DIEDRO C=CCOCC[NH2+]Cc1c(Cl)cccc1Oc1ccccc1 ZINC001461655653 1063638080 /nfs/dbraw/zinc/63/80/80/1063638080.db2.gz UCMIXQSURCFKKS-UHFFFAOYSA-N 1 0 317.816 4.425 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H](CC)CCCCC)C2 ZINC001258439377 1063654301 /nfs/dbraw/zinc/65/43/01/1063654301.db2.gz JCIPOGDIHAZNKA-ICSRJNTNSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](CC)CCCCC)CC2 ZINC001258441398 1063655781 /nfs/dbraw/zinc/65/57/81/1063655781.db2.gz KBJQSZOEVSHATL-QUCCMNQESA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@H]2CCCOC2)cc1Cl ZINC001461710872 1063673432 /nfs/dbraw/zinc/67/34/32/1063673432.db2.gz PMPPSIILQKTEAI-RDJZCZTQSA-N 1 0 323.864 4.200 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C1CCN(c2ccccc2)CC1 ZINC001258515594 1063680851 /nfs/dbraw/zinc/68/08/51/1063680851.db2.gz ZMWKNOUMTIQMRO-UHFFFAOYSA-N 1 0 306.453 4.344 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCC(C)(C)COC)cc1Cl ZINC001461733601 1063686338 /nfs/dbraw/zinc/68/63/38/1063686338.db2.gz NPBJIFOHLXOPAF-UHFFFAOYSA-N 1 0 311.853 4.057 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc(F)c(C)c2)cc1C#N ZINC001461750425 1063694088 /nfs/dbraw/zinc/69/40/88/1063694088.db2.gz CPTARIOICKHVPR-UHFFFAOYSA-N 1 0 300.402 4.018 20 30 DIEDRO CSC1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCCCC1 ZINC001461752079 1063696103 /nfs/dbraw/zinc/69/61/03/1063696103.db2.gz FUOLUGMINJEJIF-UHFFFAOYSA-N 1 0 314.498 4.397 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2CC23CC(O)C3)cc1 ZINC001461783763 1063714443 /nfs/dbraw/zinc/71/44/43/1063714443.db2.gz VCPNTFBYWNIQAZ-SKINQDTJSA-N 1 0 317.473 4.039 20 30 DIEDRO COC1(C[NH2+]Cc2c(C)cc(C#N)cc2C)CCCCCC1 ZINC001461816244 1063733228 /nfs/dbraw/zinc/73/32/28/1063733228.db2.gz HXCFZXFUOPNXIH-UHFFFAOYSA-N 1 0 300.446 4.004 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H](CCC)CCCCC)CC2 ZINC001258668905 1063738154 /nfs/dbraw/zinc/73/81/54/1063738154.db2.gz GDNWHLQTVOMIBT-GOSISDBHSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@@H](CCC)CCCCC)C2)C1=O ZINC001258670136 1063738270 /nfs/dbraw/zinc/73/82/70/1063738270.db2.gz YEHAROAMFLFIBW-ICSRJNTNSA-N 1 0 320.521 4.236 20 30 DIEDRO CCCC[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001258705798 1063763518 /nfs/dbraw/zinc/76/35/18/1063763518.db2.gz LFZRHTAALZVTSL-NRFANRHFSA-N 1 0 306.453 4.492 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001258714408 1063770111 /nfs/dbraw/zinc/77/01/11/1063770111.db2.gz NQYBYDTWPPQVEJ-QGZVFWFLSA-N 1 0 324.509 4.336 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H](CO)c1ccncc1 ZINC001258713627 1063771381 /nfs/dbraw/zinc/77/13/81/1063771381.db2.gz BVNZQUNRGCTXFR-RBUKOAKNSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+][C@H](CO)c1ccncc1 ZINC001258713628 1063771498 /nfs/dbraw/zinc/77/14/98/1063771498.db2.gz BVNZQUNRGCTXFR-RTBURBONSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1CCN(C(=O)C2CC2)C1 ZINC001258716100 1063772513 /nfs/dbraw/zinc/77/25/13/1063772513.db2.gz RZZUGFXYRZIRBA-OALUTQOASA-N 1 0 322.537 4.362 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CCN(C(=O)C2CC2)C1 ZINC001258716099 1063772676 /nfs/dbraw/zinc/77/26/76/1063772676.db2.gz RZZUGFXYRZIRBA-MOPGFXCFSA-N 1 0 322.537 4.362 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H]1CCCN(C(C)=O)C1 ZINC001258716253 1063773026 /nfs/dbraw/zinc/77/30/26/1063773026.db2.gz WCWPBMAPLCKRPV-RBUKOAKNSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001258714971 1063773284 /nfs/dbraw/zinc/77/32/84/1063773284.db2.gz ZEPMFGGJEMQHLZ-GOSISDBHSA-N 1 0 322.537 4.364 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(-c2ccnc(F)c2)c(F)c1 ZINC001258718973 1063774412 /nfs/dbraw/zinc/77/44/12/1063774412.db2.gz ZGEFSKFNAYPSGF-CYBMUJFWSA-N 1 0 302.368 4.471 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cn(Cc2ccccc2Cl)cn1 ZINC001258723729 1063776237 /nfs/dbraw/zinc/77/62/37/1063776237.db2.gz CYAYJBNCAAZWMB-AWEZNQCLSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2cc(F)ccc2C)CC1 ZINC001258722242 1063776294 /nfs/dbraw/zinc/77/62/94/1063776294.db2.gz FHDZSVHLQBKIBN-MRXNPFEDSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](CO)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001258721431 1063776322 /nfs/dbraw/zinc/77/63/22/1063776322.db2.gz VLTQVULRGDMWRA-IINYFYTJSA-N 1 0 321.770 4.337 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC1(Cc2ccccc2F)CCOCC1 ZINC001258723175 1063776627 /nfs/dbraw/zinc/77/66/27/1063776627.db2.gz SQPBNFPOYDTWAP-INIZCTEOSA-N 1 0 305.437 4.109 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001258720937 1063776664 /nfs/dbraw/zinc/77/66/64/1063776664.db2.gz JPKXNTPJYISEPM-HNNXBMFYSA-N 1 0 303.446 4.129 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2ncc(Br)cc2c1 ZINC001258721966 1063777376 /nfs/dbraw/zinc/77/73/76/1063777376.db2.gz KBZOVEQWVZOKPW-GFCCVEGCSA-N 1 0 319.246 4.442 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(OCc2ccccn2)cc1 ZINC001258721389 1063777536 /nfs/dbraw/zinc/77/75/36/1063777536.db2.gz UQXZYRNPNKSNIL-KRWDZBQOSA-N 1 0 310.441 4.147 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC001258722156 1063777589 /nfs/dbraw/zinc/77/75/89/1063777589.db2.gz CXNNNGXSBYVIPG-AWEZNQCLSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001258725905 1063778068 /nfs/dbraw/zinc/77/80/68/1063778068.db2.gz BXPXXXWQUVNADN-JWZBEHFJSA-N 1 0 318.486 4.137 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258726826 1063778388 /nfs/dbraw/zinc/77/83/88/1063778388.db2.gz XJTGRMMLKGFZGR-VQIMIIECSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001258725560 1063778520 /nfs/dbraw/zinc/77/85/20/1063778520.db2.gz LUVLJATXICPIBO-LYGPFTKASA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(CC(=O)OC(C)(C)C)c1 ZINC001258726572 1063779150 /nfs/dbraw/zinc/77/91/50/1063779150.db2.gz WHDKWAKZMSTRFL-OAHLLOKOSA-N 1 0 303.446 4.015 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726882 1063779354 /nfs/dbraw/zinc/77/93/54/1063779354.db2.gz YDCLXBHGTAFZPV-LPHOPBHVSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(CC(=O)OC(C)(C)C)c1 ZINC001258726571 1063779591 /nfs/dbraw/zinc/77/95/91/1063779591.db2.gz WHDKWAKZMSTRFL-HNNXBMFYSA-N 1 0 303.446 4.015 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001258727341 1063779605 /nfs/dbraw/zinc/77/96/05/1063779605.db2.gz DXUMYMDJPKYPAT-RLLQIKCJSA-N 1 0 314.473 4.055 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001258725330 1063779927 /nfs/dbraw/zinc/77/99/27/1063779927.db2.gz KFWHIGCDPMUOJV-APWZRJJASA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@H](C(=O)OCC)[C@H](c2ccccc2)C1 ZINC001258731900 1063781506 /nfs/dbraw/zinc/78/15/06/1063781506.db2.gz FEEBMFSZPHYSFZ-NEWSRXKRSA-N 1 0 315.457 4.010 20 30 DIEDRO C=CCC[C@H](C)[N@H+]1CCCC[C@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001258731242 1063781755 /nfs/dbraw/zinc/78/17/55/1063781755.db2.gz BTYZXHWQOICAAS-WDSOQIARSA-N 1 0 315.457 4.152 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001258731012 1063782423 /nfs/dbraw/zinc/78/24/23/1063782423.db2.gz TYJUCBABCSSTCW-PXNSSMCTSA-N 1 0 316.464 4.221 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(C(=O)c2ccc(OCC)cc2)CC1 ZINC001258734535 1063783719 /nfs/dbraw/zinc/78/37/19/1063783719.db2.gz FDKRVVRDXMAXSY-MRXNPFEDSA-N 1 0 315.457 4.335 20 30 DIEDRO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001258734432 1063783740 /nfs/dbraw/zinc/78/37/40/1063783740.db2.gz XUBZZPBCSUREGM-ARFHVFGLSA-N 1 0 310.482 4.109 20 30 DIEDRO C=CCC[C@H](C)[N@@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001258734068 1063784105 /nfs/dbraw/zinc/78/41/05/1063784105.db2.gz QWPJJMPMGILFQB-INIZCTEOSA-N 1 0 324.509 4.453 20 30 DIEDRO C#Cc1ccc(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)cc1 ZINC001461914945 1063798930 /nfs/dbraw/zinc/79/89/30/1063798930.db2.gz VBXCTCHOHSSOPC-UHFFFAOYSA-N 1 0 324.512 4.000 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@H](CC)C[C@@H](C)CC)CCC2 ZINC001258790999 1063829166 /nfs/dbraw/zinc/82/91/66/1063829166.db2.gz OZZALJIUGHOWNO-DLBZAZTESA-N 1 0 319.493 4.006 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](CC)C[C@H](C)CC)C2 ZINC001258795976 1063832677 /nfs/dbraw/zinc/83/26/77/1063832677.db2.gz VSBTVNSTMLQEMS-AKHDSKFASA-N 1 0 309.494 4.027 20 30 DIEDRO CC(C)C1CCC(NC(=[NH2+])c2ccc3cc(O)ccc3c2)CC1 ZINC001258801050 1063834793 /nfs/dbraw/zinc/83/47/93/1063834793.db2.gz GQTUUBVQKVOPBW-UHFFFAOYSA-N 1 0 310.441 4.466 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCCO2 ZINC001461961345 1063840737 /nfs/dbraw/zinc/84/07/37/1063840737.db2.gz FOMRATQYBKQJFL-UHFFFAOYSA-N 1 0 320.436 4.295 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(O)cc(Cl)c1 ZINC001461968401 1063849248 /nfs/dbraw/zinc/84/92/48/1063849248.db2.gz VVKKWRRJLCYRDO-UHFFFAOYSA-N 1 0 314.816 4.329 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)CC1(OC)CCCCC1 ZINC001461968424 1063849403 /nfs/dbraw/zinc/84/94/03/1063849403.db2.gz VWKOCCPEOLEIMS-UHFFFAOYSA-N 1 0 300.446 4.120 20 30 DIEDRO CC[C@H](Cc1ccccc1)n1cc(CC[NH3+])c2cc(C#N)ccc21 ZINC001258839519 1063860160 /nfs/dbraw/zinc/86/01/60/1063860160.db2.gz FKRWRSPZLJQJCF-LJQANCHMSA-N 1 0 317.436 4.208 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)CC3 ZINC001461992495 1063863557 /nfs/dbraw/zinc/86/35/57/1063863557.db2.gz MPTSNJRLQHXOBT-LSDHHAIUSA-N 1 0 309.457 4.252 20 30 DIEDRO COc1ccccc1C[C@H](C)[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001258878905 1063869259 /nfs/dbraw/zinc/86/92/59/1063869259.db2.gz CZJIBHMXTRBDOE-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO N#Cc1cccc(N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC001462027365 1063887983 /nfs/dbraw/zinc/88/79/83/1063887983.db2.gz IIVJCVUSMQYYIX-FPOVZHCZSA-N 1 0 317.436 4.338 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)cc1 ZINC001261276763 1063919639 /nfs/dbraw/zinc/91/96/39/1063919639.db2.gz SDBGVRULYNBIAR-MAUKXSAKSA-N 1 0 321.420 4.051 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3csc(C#N)c3)CC2)c1 ZINC001462095725 1063926047 /nfs/dbraw/zinc/92/60/47/1063926047.db2.gz UHYKEBBEUYCYTN-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO C=C(C)C(C)(C)c1nnc(-c2ccc(C[NH+](CC)CC)o2)o1 ZINC001261575744 1063936244 /nfs/dbraw/zinc/93/62/44/1063936244.db2.gz RWKQBCXMVVVLJP-UHFFFAOYSA-N 1 0 303.406 4.025 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@H]3CCCCC3(F)F)CCC2)cc1 ZINC000594034955 1064100419 /nfs/dbraw/zinc/10/04/19/1064100419.db2.gz GUVCHZVXNGZERN-MRXNPFEDSA-N 1 0 304.384 4.353 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCCC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001279271772 1064339864 /nfs/dbraw/zinc/33/98/64/1064339864.db2.gz SMWULZZLFYZDKO-UHFFFAOYSA-N 1 0 315.505 4.049 20 30 DIEDRO C=CCCCC[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)N(CC)C(C)C)C1 ZINC001279719947 1064363827 /nfs/dbraw/zinc/36/38/27/1064363827.db2.gz MDEDKGIOSNFAFW-ICSRJNTNSA-N 1 0 320.521 4.092 20 30 DIEDRO CCCC[C@H](CC)C[N@@H+]1CCC12CN(c1cccc(C#N)c1)C2 ZINC001279745440 1064366198 /nfs/dbraw/zinc/36/61/98/1064366198.db2.gz GPIPSGYAEBBJQM-KRWDZBQOSA-N 1 0 311.473 4.039 20 30 DIEDRO CCCCCCCCC[NH+]1CCC2(C=C(C(N)=O)CC2)CC1 ZINC001279871334 1064368404 /nfs/dbraw/zinc/36/84/04/1064368404.db2.gz DEKBFTONYOSZFK-UHFFFAOYSA-N 1 0 306.494 4.025 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(C[C@H]2C(=O)N(CC)C(C)C)CC1 ZINC001279827510 1064369272 /nfs/dbraw/zinc/36/92/72/1064369272.db2.gz BLZJZOWBQGUWNB-SFHVURJKSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC001279831726 1064369702 /nfs/dbraw/zinc/36/97/02/1064369702.db2.gz NFXSJIUKAWATSZ-GOSISDBHSA-N 1 0 320.521 4.093 20 30 DIEDRO CCCCCCCCCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001291562146 1064737672 /nfs/dbraw/zinc/73/76/72/1064737672.db2.gz YVOQSSPHXIOZFX-ZWKOTPCHSA-N 1 0 308.510 4.260 20 30 DIEDRO C=C(CC(C)C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001291884802 1064749930 /nfs/dbraw/zinc/74/99/30/1064749930.db2.gz IDRIXXXWIKHJSU-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)CCCCC1 ZINC001294117076 1064847141 /nfs/dbraw/zinc/84/71/41/1064847141.db2.gz GMKBNZRMPOLJHF-UHFFFAOYSA-N 1 0 318.436 4.352 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1CNc1cc(F)ccc1C#N ZINC001306918309 1065204958 /nfs/dbraw/zinc/20/49/58/1065204958.db2.gz PEVYICHUNNSPTK-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO N#Cc1c(F)cccc1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001306958338 1065222219 /nfs/dbraw/zinc/22/22/19/1065222219.db2.gz LTSXRQRDNOZGSI-INIZCTEOSA-N 1 0 315.436 4.154 20 30 DIEDRO CC[N@H+](CCCNc1ccc(Cl)c(C#N)n1)C1CCCCC1 ZINC001307158650 1065287179 /nfs/dbraw/zinc/28/71/79/1065287179.db2.gz GKNHNVFCMDAMGH-UHFFFAOYSA-N 1 0 320.868 4.063 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)CCCCc1ccccc1 ZINC001307418127 1065381519 /nfs/dbraw/zinc/38/15/19/1065381519.db2.gz IHGBVZSMXBSXIT-UHFFFAOYSA-N 1 0 308.425 4.022 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001307421062 1065383486 /nfs/dbraw/zinc/38/34/86/1065383486.db2.gz ADEAOYDGCADICW-QGZVFWFLSA-N 1 0 313.401 4.011 20 30 DIEDRO CC(C)[N@H+](CC#Cc1ccc(F)cc1)Cc1ccc(N(C)C)cc1 ZINC001307423899 1065384169 /nfs/dbraw/zinc/38/41/69/1065384169.db2.gz JTJWOZBLSDJPLB-UHFFFAOYSA-N 1 0 324.443 4.154 20 30 DIEDRO C#CC[N@@H+](C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001307431273 1065391475 /nfs/dbraw/zinc/39/14/75/1065391475.db2.gz VNGRUODKIBSFNA-NHCUHLMSSA-N 1 0 323.411 4.136 20 30 DIEDRO C=CC[N@@H+](Cc1c2ccccc2oc1C(=O)OCC)C(C)C ZINC001307434235 1065392603 /nfs/dbraw/zinc/39/26/03/1065392603.db2.gz AEBGDOWAMPDXBQ-UHFFFAOYSA-N 1 0 301.386 4.006 20 30 DIEDRO CC(C)C[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC001307437203 1065397943 /nfs/dbraw/zinc/39/79/43/1065397943.db2.gz CXUJPWKHVYKIIA-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO C#CCC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001307442378 1065402502 /nfs/dbraw/zinc/40/25/02/1065402502.db2.gz PBSZWWRTAMZYFN-SOLBZPMBSA-N 1 0 313.441 4.065 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(C(=O)OC(C)C)cc1)C1CCCCC1 ZINC001307445243 1065403555 /nfs/dbraw/zinc/40/35/55/1065403555.db2.gz WHVPSUXEQZVVCR-UHFFFAOYSA-N 1 0 313.441 4.020 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCCCC1 ZINC001307451230 1065409208 /nfs/dbraw/zinc/40/92/08/1065409208.db2.gz UXJVENVIYIVARX-UHFFFAOYSA-N 1 0 301.390 4.011 20 30 DIEDRO C=CC[N@@H+](C[C@@H](O)c1ccc(F)cc1C)CC1CCCCC1 ZINC001307470001 1065419417 /nfs/dbraw/zinc/41/94/17/1065419417.db2.gz IPNWJHZSIJEOFQ-LJQANCHMSA-N 1 0 305.437 4.236 20 30 DIEDRO CCC[N@H+](CCCCC1(C#N)CCC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001307486281 1065430558 /nfs/dbraw/zinc/43/05/58/1065430558.db2.gz DTZIZRFHUCRBFL-KURKYZTESA-N 1 0 318.505 4.376 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccc1CF ZINC001307487142 1065433009 /nfs/dbraw/zinc/43/30/09/1065433009.db2.gz NLWFDUVTSGFUFG-WOJBJXKFSA-N 1 0 308.400 4.428 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001307495116 1065439171 /nfs/dbraw/zinc/43/91/71/1065439171.db2.gz AIVJYGKSAXJUDN-YJYMSZOUSA-N 1 0 312.363 4.420 20 30 DIEDRO CCCCCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307498315 1065441832 /nfs/dbraw/zinc/44/18/32/1065441832.db2.gz SNNIBIAVFCMZHO-UHFFFAOYSA-N 1 0 320.433 4.408 20 30 DIEDRO N#CCC1(CN2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC001307515063 1065454879 /nfs/dbraw/zinc/45/48/79/1065454879.db2.gz ZMZAMIUOEPCNGO-HNNXBMFYSA-N 1 0 319.246 4.280 20 30 DIEDRO N#CC1CCC(C[NH+]2CCC(Cc3ccccc3F)CC2)CC1 ZINC001307524844 1065461550 /nfs/dbraw/zinc/46/15/50/1065461550.db2.gz OPWLLRHAJRIXQB-UHFFFAOYSA-N 1 0 314.448 4.410 20 30 DIEDRO CCCCCCCC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC001307543615 1065474219 /nfs/dbraw/zinc/47/42/19/1065474219.db2.gz PBKKOUMSDSPFGO-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC001307582517 1065495901 /nfs/dbraw/zinc/49/59/01/1065495901.db2.gz GEDXSOCKHSLAKK-IBGZPJMESA-N 1 0 312.457 4.372 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC001307593140 1065504199 /nfs/dbraw/zinc/50/41/99/1065504199.db2.gz VTIFCJYQIKRWHJ-GOSISDBHSA-N 1 0 305.437 4.288 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1F ZINC001307608310 1065511497 /nfs/dbraw/zinc/51/14/97/1065511497.db2.gz JJIZCHKMYKVIJV-YWZLYKJASA-N 1 0 308.400 4.405 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC001307618638 1065521115 /nfs/dbraw/zinc/52/11/15/1065521115.db2.gz YPWYNJROIBFCNG-NRFANRHFSA-N 1 0 304.437 4.286 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001307619943 1065521552 /nfs/dbraw/zinc/52/15/52/1065521552.db2.gz JZCSOXOLDPMLMX-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC001307621414 1065521976 /nfs/dbraw/zinc/52/19/76/1065521976.db2.gz IMDIRTFAGQJLPM-SFHVURJKSA-N 1 0 324.399 4.229 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC001307626746 1065527075 /nfs/dbraw/zinc/52/70/75/1065527075.db2.gz MRXMDCZTBLJYKM-WMZOPIPTSA-N 1 0 314.473 4.117 20 30 DIEDRO C=CCC[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001307698535 1065570107 /nfs/dbraw/zinc/57/01/07/1065570107.db2.gz OLTCJFAKKQYRRC-UHFFFAOYSA-N 1 0 315.457 4.397 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@H]1C ZINC001307701264 1065572910 /nfs/dbraw/zinc/57/29/10/1065572910.db2.gz CWIYXGFEYJSUEA-BFQNTYOBSA-N 1 0 321.262 4.235 20 30 DIEDRO C=C(C)C[NH2+][C@H]1CCCC[C@@H]1Oc1ccc(OCCC)cc1 ZINC001307701418 1065572974 /nfs/dbraw/zinc/57/29/74/1065572974.db2.gz WUKSIPRVUZTOQC-OALUTQOASA-N 1 0 303.446 4.331 20 30 DIEDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC001307733122 1065594401 /nfs/dbraw/zinc/59/44/01/1065594401.db2.gz GXCCETRNUBCECJ-LJQANCHMSA-N 1 0 320.477 4.048 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3CF)CC2)cc1 ZINC001307743000 1065599379 /nfs/dbraw/zinc/59/93/79/1065599379.db2.gz XRHKHVYIVORAAZ-UHFFFAOYSA-N 1 0 324.399 4.071 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC001307821993 1065637695 /nfs/dbraw/zinc/63/76/95/1065637695.db2.gz REWZLNMSTWNCMC-GOSISDBHSA-N 1 0 324.509 4.480 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001307828310 1065642514 /nfs/dbraw/zinc/64/25/14/1065642514.db2.gz ZZRNNYRMHSMNAY-MRXNPFEDSA-N 1 0 308.425 4.343 20 30 DIEDRO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC001307832143 1065644374 /nfs/dbraw/zinc/64/43/74/1065644374.db2.gz ITNGLMJAPNTKHF-PMACEKPBSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@](Cc1ccccc1)([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC001307846613 1065649637 /nfs/dbraw/zinc/64/96/37/1065649637.db2.gz XYEOZFACLBNOGY-HXUWFJFHSA-N 1 0 304.437 4.428 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC#Cc1ccccc1Cl ZINC001307860740 1065658812 /nfs/dbraw/zinc/65/88/12/1065658812.db2.gz RAIMBVLIHIVYKD-HNNXBMFYSA-N 1 0 308.812 4.256 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCc2ccc(F)cc21 ZINC001307889041 1065669885 /nfs/dbraw/zinc/66/98/85/1065669885.db2.gz DIGVDWUMQCIMII-HNNXBMFYSA-N 1 0 308.400 4.054 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCc2ccc(F)cc21 ZINC001307889042 1065669953 /nfs/dbraw/zinc/66/99/53/1065669953.db2.gz DIGVDWUMQCIMII-OAHLLOKOSA-N 1 0 308.400 4.054 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC001307915005 1065680151 /nfs/dbraw/zinc/68/01/51/1065680151.db2.gz OHVWGIGITUQNCJ-INIZCTEOSA-N 1 0 301.430 4.040 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC001307914991 1065680946 /nfs/dbraw/zinc/68/09/46/1065680946.db2.gz NROTWLRMWLHQRE-AWEZNQCLSA-N 1 0 313.363 4.372 20 30 DIEDRO CC1(C)CC[N@H+](CCOc2cccc(C#N)c2)CC(C)(C)C1 ZINC001307920283 1065681941 /nfs/dbraw/zinc/68/19/41/1065681941.db2.gz IAIWPVJHVONKRU-UHFFFAOYSA-N 1 0 300.446 4.085 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001307954682 1065698808 /nfs/dbraw/zinc/69/88/08/1065698808.db2.gz NRPKTOKEBBQJJW-KRWDZBQOSA-N 1 0 312.363 4.216 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(Br)cc1F ZINC001307981250 1065713148 /nfs/dbraw/zinc/71/31/48/1065713148.db2.gz FXINKZKOBNLYJD-UHFFFAOYSA-N 1 0 300.215 4.376 20 30 DIEDRO CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001307988159 1065713752 /nfs/dbraw/zinc/71/37/52/1065713752.db2.gz KFRHLWIFDUTLMR-XLIONFOSSA-N 1 0 311.473 4.155 20 30 DIEDRO CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001307988158 1065714472 /nfs/dbraw/zinc/71/44/72/1065714472.db2.gz KFRHLWIFDUTLMR-PXNSSMCTSA-N 1 0 311.473 4.155 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001307997880 1065717720 /nfs/dbraw/zinc/71/77/20/1065717720.db2.gz XRRDGJHRTDIZIR-NJYVYQBISA-N 1 0 302.421 4.102 20 30 DIEDRO C=CCCC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC001308041038 1065735980 /nfs/dbraw/zinc/73/59/80/1065735980.db2.gz RNTVRNANIPZBQV-SFTDATJTSA-N 1 0 309.453 4.277 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC001308041461 1065737819 /nfs/dbraw/zinc/73/78/19/1065737819.db2.gz UQBYXMUPZPCKHV-GOSISDBHSA-N 1 0 323.440 4.247 20 30 DIEDRO C=CCCC[C@H]([NH2+]CC1(CC(=O)OC)CC1)c1ccccc1 ZINC001308041701 1065738413 /nfs/dbraw/zinc/73/84/13/1065738413.db2.gz XOLLQALBPWHFCM-KRWDZBQOSA-N 1 0 301.430 4.017 20 30 DIEDRO CCC#C[C@@H](C)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC001308088700 1065757581 /nfs/dbraw/zinc/75/75/81/1065757581.db2.gz UMEZGZOLJGZGDW-CQSZACIVSA-N 1 0 304.503 4.422 20 30 DIEDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001308098606 1065762433 /nfs/dbraw/zinc/76/24/33/1065762433.db2.gz LHCYCDXGWZEMIQ-UWJYYQICSA-N 1 0 307.412 4.445 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1CCCc2ccccc21 ZINC001308103449 1065764598 /nfs/dbraw/zinc/76/45/98/1065764598.db2.gz HMOCSRJZCHPQBB-GOSISDBHSA-N 1 0 310.828 4.248 20 30 DIEDRO C[N@H+](CCSc1cccc(Cl)c1)Cc1cc(C#N)cs1 ZINC001308112359 1065767047 /nfs/dbraw/zinc/76/70/47/1065767047.db2.gz DWXFOPMTKXQVTP-UHFFFAOYSA-N 1 0 322.886 4.497 20 30 DIEDRO Cc1cccc([C@H](C)[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC001308115019 1065767756 /nfs/dbraw/zinc/76/77/56/1065767756.db2.gz ULPWAOAAALRVDB-JXFKEZNVSA-N 1 0 306.409 4.001 20 30 DIEDRO N#Cc1ccc([C@@H]2C[N@H+](CCC3CCCCCC3)CCO2)cc1 ZINC001308114706 1065768606 /nfs/dbraw/zinc/76/86/06/1065768606.db2.gz QFVHBFRPHSFWMM-FQEVSTJZSA-N 1 0 312.457 4.292 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)c1F ZINC001308122723 1065769643 /nfs/dbraw/zinc/76/96/43/1065769643.db2.gz QCMKWNQYYNRBHA-YAINUAMHSA-N 1 0 306.384 4.375 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1nc(C)c(Br)s1 ZINC001308133459 1065774548 /nfs/dbraw/zinc/77/45/48/1065774548.db2.gz HKOSULSKDYJHNE-UHFFFAOYSA-N 1 0 303.269 4.002 20 30 DIEDRO CCOc1ccc(CC[N@H+](C)CCCCC(C)(C)C#N)cc1 ZINC001308142936 1065777895 /nfs/dbraw/zinc/77/78/95/1065777895.db2.gz OKZFADRPZWPQFZ-UHFFFAOYSA-N 1 0 302.462 4.280 20 30 DIEDRO C#C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001308140153 1065778488 /nfs/dbraw/zinc/77/84/88/1065778488.db2.gz DQJJGKTUWSYSRB-KRWDZBQOSA-N 1 0 314.429 4.021 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCCC[C@H]2Cc2ccc(O)cc2)CC1 ZINC001308148253 1065779438 /nfs/dbraw/zinc/77/94/38/1065779438.db2.gz AWRSXAVBAMCSLS-ACBHZAAOSA-N 1 0 312.457 4.119 20 30 DIEDRO CCC[C@@](C)([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1 ZINC001308153012 1065782805 /nfs/dbraw/zinc/78/28/05/1065782805.db2.gz CSZAJVDQPNSMSU-HXUWFJFHSA-N 1 0 308.425 4.372 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC001308190925 1065801617 /nfs/dbraw/zinc/80/16/17/1065801617.db2.gz OBKYQXRENYPLTD-YJBOKZPZSA-N 1 0 312.457 4.260 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccccc1Cl)C(C)C ZINC001308196990 1065805637 /nfs/dbraw/zinc/80/56/37/1065805637.db2.gz KFEZUFQMXRCJET-GOSISDBHSA-N 1 0 306.881 4.128 20 30 DIEDRO C=CCOc1cccc(CNc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001308215266 1065822233 /nfs/dbraw/zinc/82/22/33/1065822233.db2.gz KNOOHHWADRCSCU-UHFFFAOYSA-N 1 0 322.452 4.459 20 30 DIEDRO C=CCN1CCC([NH2+]C2CCC(C3CCCCC3)CC2)CC1 ZINC001308247261 1065851692 /nfs/dbraw/zinc/85/16/92/1065851692.db2.gz NIUYMYWCJXOGSB-UHFFFAOYSA-N 1 0 304.522 4.366 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cccc(OCC#N)c1)CC1CCCCC1 ZINC001308265587 1065865089 /nfs/dbraw/zinc/86/50/89/1065865089.db2.gz HFECBZNHLWGZQW-MRXNPFEDSA-N 1 0 300.446 4.285 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC001308267991 1065867500 /nfs/dbraw/zinc/86/75/00/1065867500.db2.gz ZZVNCRNTKVIRGJ-KBAYOESNSA-N 1 0 302.437 4.129 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1ccncc1 ZINC001308273427 1065873160 /nfs/dbraw/zinc/87/31/60/1065873160.db2.gz YEZNRGGULKNOFT-INIZCTEOSA-N 1 0 313.788 4.283 20 30 DIEDRO Cc1cccc(C)c1CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001308308258 1065903139 /nfs/dbraw/zinc/90/31/39/1065903139.db2.gz JBFFNJSMVZSTNR-UHFFFAOYSA-N 1 0 304.437 4.191 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC001308346183 1065929902 /nfs/dbraw/zinc/92/99/02/1065929902.db2.gz RLVXYDTWUNRHGU-CQSZACIVSA-N 1 0 303.837 4.360 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C(C)C)C(C)C)cc1OC ZINC001308376156 1065949203 /nfs/dbraw/zinc/94/92/03/1065949203.db2.gz DHMWVDFSFAJSTD-UHFFFAOYSA-N 1 0 305.462 4.278 20 30 DIEDRO C=CCCCCCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001308399114 1065962966 /nfs/dbraw/zinc/96/29/66/1065962966.db2.gz OSOWFFMRQVOKLK-ICSRJNTNSA-N 1 0 300.490 4.233 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OCCC)c(C)c2)cc1 ZINC001308408511 1065967719 /nfs/dbraw/zinc/96/77/19/1065967719.db2.gz KIRNOFFEPLSCRY-UHFFFAOYSA-N 1 0 323.436 4.086 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CSc3ccccc32)cc1 ZINC001308416625 1065972645 /nfs/dbraw/zinc/97/26/45/1065972645.db2.gz KUECWHHTRRPZLQ-KRWDZBQOSA-N 1 0 323.461 4.068 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC1(c2ccc(C)cc2C)CC1 ZINC001308419343 1065977255 /nfs/dbraw/zinc/97/72/55/1065977255.db2.gz XDDKBQIQLYKJJI-UHFFFAOYSA-N 1 0 319.448 4.137 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCC[C@H]2CC)cc(OC)c1O ZINC001308422550 1065978446 /nfs/dbraw/zinc/97/84/46/1065978446.db2.gz LVROHKRAOPTDNR-SJLPKXTDSA-N 1 0 317.473 4.435 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)cc1Cl ZINC001308438910 1065988173 /nfs/dbraw/zinc/98/81/73/1065988173.db2.gz XSWWWAYDLWEBNP-ACJLOTCBSA-N 1 0 323.864 4.198 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCc2ccccc2CC1 ZINC001308442547 1065990590 /nfs/dbraw/zinc/99/05/90/1065990590.db2.gz ZRIUAPPQKMWHFL-QFIPXVFZSA-N 1 0 316.448 4.473 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C/C=C/c3cccc(F)c3)CCC2)cc1 ZINC001308448551 1065994948 /nfs/dbraw/zinc/99/49/48/1065994948.db2.gz KEOJFHNZRXLOOQ-GORDUTHDSA-N 1 0 306.384 4.380 20 30 DIEDRO CC[C@H](OCC[NH2+]Cc1c(C)cc(C#N)cc1C)c1ccccc1 ZINC001308455121 1065998117 /nfs/dbraw/zinc/99/81/17/1065998117.db2.gz CJYFSGMDJZOFGP-NRFANRHFSA-N 1 0 322.452 4.433 20 30 DIEDRO C=C[C@H](CO)[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001308473805 1066013318 /nfs/dbraw/zinc/01/33/18/1066013318.db2.gz QFNIRKWWUHVDES-CYBMUJFWSA-N 1 0 311.812 4.283 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC(C2CCC2)C2CCC2)cc1 ZINC001308474263 1066013472 /nfs/dbraw/zinc/01/34/72/1066013472.db2.gz BIBWXJCXRHBUKI-UHFFFAOYSA-N 1 0 311.469 4.395 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC001308475108 1066016151 /nfs/dbraw/zinc/01/61/51/1066016151.db2.gz MIRRMXSKZRSHJZ-UHFFFAOYSA-N 1 0 319.445 4.093 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC001308482593 1066020862 /nfs/dbraw/zinc/02/08/62/1066020862.db2.gz PVEFHNPCSHUTOS-LJQANCHMSA-N 1 0 311.812 4.129 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001308494885 1066026428 /nfs/dbraw/zinc/02/64/28/1066026428.db2.gz VFZJUHAWNVRWJA-HMXCVIKNSA-N 1 0 312.501 4.376 20 30 DIEDRO C=C/C=C/CC[NH2+]Cc1cc(Cl)c(OCC=C)c(OC)c1 ZINC001308505361 1066033960 /nfs/dbraw/zinc/03/39/60/1066033960.db2.gz HFDALMPAFUZHLT-VOTSOKGWSA-N 1 0 307.821 4.135 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC001308510475 1066036891 /nfs/dbraw/zinc/03/68/91/1066036891.db2.gz UQCFZFCNCWLCDH-UHFFFAOYSA-N 1 0 304.459 4.387 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2nc3ccc(OC)cc3s2)CC1 ZINC001308511925 1066037768 /nfs/dbraw/zinc/03/77/68/1066037768.db2.gz CURHPWHVXRNHPO-UHFFFAOYSA-N 1 0 302.443 4.141 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1OC ZINC001308523210 1066044815 /nfs/dbraw/zinc/04/48/15/1066044815.db2.gz OMBBKKXPSQLIIS-GXTWGEPZSA-N 1 0 309.837 4.192 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC3(CC3)C2)cc1OC ZINC001308532632 1066051949 /nfs/dbraw/zinc/05/19/49/1066051949.db2.gz CAQMXUQJADNGLQ-MRXNPFEDSA-N 1 0 301.430 4.072 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)cc1Cl ZINC001308540277 1066057711 /nfs/dbraw/zinc/05/77/11/1066057711.db2.gz RFEIXUSCYUMQET-GXTWGEPZSA-N 1 0 311.878 4.279 20 30 DIEDRO Cc1ccccc1-c1ccccc1C[NH2+]CC1(C#N)CCOCC1 ZINC001308549173 1066062000 /nfs/dbraw/zinc/06/20/00/1066062000.db2.gz TUHGQGZVRZGWMK-UHFFFAOYSA-N 1 0 320.436 4.072 20 30 DIEDRO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC001308562906 1066073918 /nfs/dbraw/zinc/07/39/18/1066073918.db2.gz RKWQAWSKIWKSBM-SFHVURJKSA-N 1 0 322.427 4.461 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCOc2ccccc21 ZINC001308579131 1066092665 /nfs/dbraw/zinc/09/26/65/1066092665.db2.gz XRVZSTDMQJJNCP-SFHVURJKSA-N 1 0 323.436 4.250 20 30 DIEDRO CC[N@H+](C[C@@H]1C[C@@]1(C)Br)[C@@H](C)c1ccc(C#N)cc1 ZINC001308618523 1066120332 /nfs/dbraw/zinc/12/03/32/1066120332.db2.gz GVIAZGJOOHCFOP-VBNZEHGJSA-N 1 0 321.262 4.115 20 30 DIEDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1O ZINC001308579621 1066096620 /nfs/dbraw/zinc/09/66/20/1066096620.db2.gz ZNDNRBFWOBTPSH-VQTJNVASSA-N 1 0 320.436 4.226 20 30 DIEDRO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001308580472 1066096701 /nfs/dbraw/zinc/09/67/01/1066096701.db2.gz SUATWURETRPRHH-KRWDZBQOSA-N 1 0 312.363 4.044 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](CCC(C)C)C1CC1 ZINC001308583589 1066098088 /nfs/dbraw/zinc/09/80/88/1066098088.db2.gz MEUOKFVWWQENGV-UHFFFAOYSA-N 1 0 305.849 4.363 20 30 DIEDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC001308602121 1066112275 /nfs/dbraw/zinc/11/22/75/1066112275.db2.gz ZERBPOMQXIZNDS-MRXNPFEDSA-N 1 0 302.421 4.189 20 30 DIEDRO CC[C@@H](C)[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)OC ZINC001308612483 1066118235 /nfs/dbraw/zinc/11/82/35/1066118235.db2.gz XVDREXCSQQVLQG-VQIMIIECSA-N 1 0 302.462 4.077 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC001308643385 1066134334 /nfs/dbraw/zinc/13/43/34/1066134334.db2.gz QNCGFUANTZZJNP-BDJLRTHQSA-N 1 0 320.845 4.139 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(F)F)c(F)c1 ZINC001308650494 1066136384 /nfs/dbraw/zinc/13/63/84/1066136384.db2.gz RHMHSVKJKMNICV-UHFFFAOYSA-N 1 0 304.315 4.267 20 30 DIEDRO CCc1cccc2cc(C[N@H+](C)Cc3cccc(C#N)c3)oc21 ZINC001308649966 1066137007 /nfs/dbraw/zinc/13/70/07/1066137007.db2.gz NDKDCLYKCFWBTG-UHFFFAOYSA-N 1 0 304.393 4.499 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC001308659577 1066141963 /nfs/dbraw/zinc/14/19/63/1066141963.db2.gz YYEGBXKOVZGMBQ-HXUWFJFHSA-N 1 0 304.437 4.382 20 30 DIEDRO C#Cc1cccc(N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001308668328 1066145567 /nfs/dbraw/zinc/14/55/67/1066145567.db2.gz DJPBWPXJVWUEMT-UTKZUKDTSA-N 1 0 304.437 4.133 20 30 DIEDRO C=CC[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC001308674477 1066149556 /nfs/dbraw/zinc/14/95/56/1066149556.db2.gz PQXARACWBZBENY-UHFFFAOYSA-N 1 0 318.464 4.400 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001308723819 1066200350 /nfs/dbraw/zinc/20/03/50/1066200350.db2.gz HYWNAAYIBQRFBO-IUODEOHRSA-N 1 0 308.347 4.023 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cccc2[nH]c(=O)oc21 ZINC001308735315 1066210385 /nfs/dbraw/zinc/21/03/85/1066210385.db2.gz GOIPDRXLYGNIAY-UHFFFAOYSA-N 1 0 308.381 4.112 20 30 DIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001308738268 1066213791 /nfs/dbraw/zinc/21/37/91/1066213791.db2.gz RTDRXXFZGQOYJZ-IERDGZPVSA-N 1 0 320.436 4.131 20 30 DIEDRO N#Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cs1 ZINC001308750996 1066225586 /nfs/dbraw/zinc/22/55/86/1066225586.db2.gz MAGCJOPMJPXEEZ-OTWHNJEPSA-N 1 0 308.450 4.388 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCCC1 ZINC001308763639 1066236688 /nfs/dbraw/zinc/23/66/88/1066236688.db2.gz VJLJCGYYFNSJHQ-UHFFFAOYSA-N 1 0 309.837 4.280 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+](C)[C@H](C)C2CC2)cc1OC ZINC001308770202 1066242887 /nfs/dbraw/zinc/24/28/87/1066242887.db2.gz RSZUNWXKJAWOEM-GFCCVEGCSA-N 1 0 309.837 4.144 20 30 DIEDRO C#C[C@H]([NH2+]C[C@H](C)CC(C)C)c1ccc(Br)cc1 ZINC001308784841 1066259433 /nfs/dbraw/zinc/25/94/33/1066259433.db2.gz ONHWLRDNJIVBLM-CJNGLKHVSA-N 1 0 308.263 4.395 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC001308786077 1066261250 /nfs/dbraw/zinc/26/12/50/1066261250.db2.gz IADDAHMVAPPBSA-PKOBYXMFSA-N 1 0 300.490 4.089 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCCc3c(F)cccc32)C1 ZINC001308793324 1066268410 /nfs/dbraw/zinc/26/84/10/1066268410.db2.gz YCFQYVSDKJHMNJ-WJAMPBCPSA-N 1 0 320.411 4.417 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001308800203 1066276513 /nfs/dbraw/zinc/27/65/13/1066276513.db2.gz HERABNWEWUEFJU-CMKODMSKSA-N 1 0 300.490 4.374 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)CC(C)(C)CC(=O)OC ZINC001308814972 1066291493 /nfs/dbraw/zinc/29/14/93/1066291493.db2.gz OGKAFTLQQIJJBE-SJLPKXTDSA-N 1 0 317.473 4.131 20 30 DIEDRO C=C(CC)C[NH2+]CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001308817134 1066294017 /nfs/dbraw/zinc/29/40/17/1066294017.db2.gz AJQJLCMWMMEWIR-ALOPSCKCSA-N 1 0 322.493 4.110 20 30 DIEDRO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001308821344 1066296646 /nfs/dbraw/zinc/29/66/46/1066296646.db2.gz XGLHEZGOFADKGO-UHFFFAOYSA-N 1 0 300.377 4.186 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308829073 1066303700 /nfs/dbraw/zinc/30/37/00/1066303700.db2.gz AVZJDUIKHRCZTI-CQSZACIVSA-N 1 0 314.379 4.462 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001308830876 1066305958 /nfs/dbraw/zinc/30/59/58/1066305958.db2.gz WZRWWTPNZXQGEX-QZTJIDSGSA-N 1 0 316.489 4.246 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2c(Cl)oc3ccccc32)cc1 ZINC001308836927 1066313330 /nfs/dbraw/zinc/31/33/30/1066313330.db2.gz WBRXTKHPVHUOBK-UHFFFAOYSA-N 1 0 310.784 4.442 20 30 DIEDRO C[C@H](CC1CCCCC1)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001308851416 1066330405 /nfs/dbraw/zinc/33/04/05/1066330405.db2.gz KTXFZEVTUNMEKA-OXQOHEQNSA-N 1 0 314.473 4.130 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC001308880354 1066359263 /nfs/dbraw/zinc/35/92/63/1066359263.db2.gz KSOJCOZKWBVIKP-CQSZACIVSA-N 1 0 300.427 4.224 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]CC2(C(F)(F)F)CCCC2)C1 ZINC001308888443 1066372135 /nfs/dbraw/zinc/37/21/35/1066372135.db2.gz PUTJOPVNPHFFQL-UHFFFAOYSA-N 1 0 322.374 4.323 20 30 DIEDRO Clc1cccc(C2(C[NH2+]CC#Cc3ccccc3)CCC2)c1 ZINC001308907128 1066385702 /nfs/dbraw/zinc/38/57/02/1066385702.db2.gz YPHXTINPAIBZLJ-UHFFFAOYSA-N 1 0 309.840 4.403 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001308926134 1066401413 /nfs/dbraw/zinc/40/14/13/1066401413.db2.gz SQWUXQOAYGVYJP-WMLDXEAASA-N 1 0 320.864 4.170 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC001308926945 1066402960 /nfs/dbraw/zinc/40/29/60/1066402960.db2.gz RIHNLVCJCQBGHP-ZDUSSCGKSA-N 1 0 306.356 4.454 20 30 DIEDRO C#CCC1([NH2+]Cc2cc3c(ccnc3Cl)o2)CCCCC1 ZINC001308950311 1066415553 /nfs/dbraw/zinc/41/55/53/1066415553.db2.gz NECOHZYPRWIRAQ-UHFFFAOYSA-N 1 0 302.805 4.297 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001308981014 1066431997 /nfs/dbraw/zinc/43/19/97/1066431997.db2.gz FEHBDOQZGQOYRX-IAGOWNOFSA-N 1 0 324.509 4.358 20 30 DIEDRO CCCCCCCCCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001311552838 1066660293 /nfs/dbraw/zinc/66/02/93/1066660293.db2.gz YETGWPWGYOYOKL-ROUUACIJSA-N 1 0 323.525 4.005 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000088764444 185264545 /nfs/dbraw/zinc/26/45/45/185264545.db2.gz MZTUJTWDIZOOLT-MRXNPFEDSA-N 1 0 305.425 4.009 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC ZINC000057960389 334952865 /nfs/dbraw/zinc/95/28/65/334952865.db2.gz KOZVIEFFHYAJHQ-UHFFFAOYSA-N 1 0 311.425 4.248 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000020009828 182177159 /nfs/dbraw/zinc/17/71/59/182177159.db2.gz MCFSTENEHQCCKU-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO N#CCCC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000563808174 335023346 /nfs/dbraw/zinc/02/33/46/335023346.db2.gz NTRFNIOCOHNPCN-UHFFFAOYSA-N 1 0 313.832 4.404 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC)c(OCC)c1)c1ccco1 ZINC000285956002 335028259 /nfs/dbraw/zinc/02/82/59/335028259.db2.gz GKWOTBHSKQNNTD-INIZCTEOSA-N 1 0 315.413 4.484 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1cccs1)c1ccco1 ZINC000286208017 335030469 /nfs/dbraw/zinc/03/04/69/335030469.db2.gz RXSIJZAFOMICPW-SOUVJXGZSA-N 1 0 305.443 4.450 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)C[C@H](O)c1cccs1)c1ccco1 ZINC000286208002 335030643 /nfs/dbraw/zinc/03/06/43/335030643.db2.gz RXSIJZAFOMICPW-KKUMJFAQSA-N 1 0 305.443 4.450 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1OC(F)F ZINC000425542540 335035989 /nfs/dbraw/zinc/03/59/89/335035989.db2.gz YGUQXYXMAGWYBX-CYBMUJFWSA-N 1 0 316.351 4.353 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccco1 ZINC000286958844 335037904 /nfs/dbraw/zinc/03/79/04/335037904.db2.gz BWYDRSCGKFGLAW-HNNXBMFYSA-N 1 0 317.458 4.002 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccco1 ZINC000286958852 335037951 /nfs/dbraw/zinc/03/79/51/335037951.db2.gz BWYDRSCGKFGLAW-OAHLLOKOSA-N 1 0 317.458 4.002 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)COC3)cc1 ZINC000287534684 335044151 /nfs/dbraw/zinc/04/41/51/335044151.db2.gz PCEXUOHWGXBWPN-OAHLLOKOSA-N 1 0 309.409 4.132 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000287581129 335044923 /nfs/dbraw/zinc/04/49/23/335044923.db2.gz HJXPOAXHADYXSG-JYJNAYRXSA-N 1 0 313.363 4.393 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000273399400 130117447 /nfs/dbraw/zinc/11/74/47/130117447.db2.gz GDTBBJNTSFNVPW-PNHOKKKMSA-N 1 0 324.399 4.268 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000273508589 130130191 /nfs/dbraw/zinc/13/01/91/130130191.db2.gz ZZGLWGXOWHLZKG-VHKYSDTDSA-N 1 0 324.399 4.268 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000273508586 130131313 /nfs/dbraw/zinc/13/13/13/130131313.db2.gz ZZGLWGXOWHLZKG-KPOBHBOGSA-N 1 0 324.399 4.268 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273557079 130137062 /nfs/dbraw/zinc/13/70/62/130137062.db2.gz WALARZKMSNELTK-VQTJNVASSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000274010079 130197341 /nfs/dbraw/zinc/19/73/41/130197341.db2.gz OGKCUHOKBQLBCQ-ATIQYGATSA-N 1 0 320.436 4.039 20 30 DIEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000275701877 130366477 /nfs/dbraw/zinc/36/64/77/130366477.db2.gz QNAGJQRJGAKXAS-YJBOKZPZSA-N 1 0 306.409 4.117 20 30 DIEDRO CC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000278312815 130680775 /nfs/dbraw/zinc/68/07/75/130680775.db2.gz TWSUZMLTEWPKTJ-OAQYLSRUSA-N 1 0 319.452 4.268 20 30 DIEDRO CC[C@H]([NH2+]CCc1nc2c(cccc2C)o1)c1ccc(C#N)cc1 ZINC000278898666 130725379 /nfs/dbraw/zinc/72/53/79/130725379.db2.gz ZFNRCMLYWCFYMU-KRWDZBQOSA-N 1 0 319.408 4.291 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000285924850 131210446 /nfs/dbraw/zinc/21/04/46/131210446.db2.gz DXIFZVWFKGHYHS-CABCVRRESA-N 1 0 324.424 4.296 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000286038933 131217217 /nfs/dbraw/zinc/21/72/17/131217217.db2.gz KKVXVBHNTHFKBL-HUUCEWRRSA-N 1 0 324.424 4.296 20 30 DIEDRO C[C@H]1CCC[N@H+](CCCCNc2cc(C#N)c3ccccc3n2)C1 ZINC000522902717 434934746 /nfs/dbraw/zinc/93/47/46/434934746.db2.gz DPKAJZPJQDWURV-INIZCTEOSA-N 1 0 322.456 4.030 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)CC1CC[NH+](C)CC1 ZINC000292731984 335093683 /nfs/dbraw/zinc/09/36/83/335093683.db2.gz DNONGMZKKDKJAX-UHFFFAOYSA-N 1 0 314.473 4.209 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000537951188 331596157 /nfs/dbraw/zinc/59/61/57/331596157.db2.gz CBLBJVLGAKYASL-NSHDSACASA-N 1 0 319.779 4.185 20 30 DIEDRO CC[C@H](C[NH2+]Cc1cc(C#N)cs1)Oc1ccccc1Cl ZINC000530903922 331633313 /nfs/dbraw/zinc/63/33/13/331633313.db2.gz PJIVXHWNWIKCGT-CYBMUJFWSA-N 1 0 320.845 4.220 20 30 DIEDRO CC(C)C(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(C)C ZINC000556385284 331685365 /nfs/dbraw/zinc/68/53/65/331685365.db2.gz FQSSFFSVYUFARF-UHFFFAOYSA-N 1 0 313.489 4.045 20 30 DIEDRO COc1cccc2c1CCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000584092284 331709905 /nfs/dbraw/zinc/70/99/05/331709905.db2.gz MFJHLZVPDPKRLH-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1ccccc1/C=C\C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000255141489 331716106 /nfs/dbraw/zinc/71/61/06/331716106.db2.gz JERGZFFPINYQMZ-KEEQEYLASA-N 1 0 306.409 4.343 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000556582552 331716727 /nfs/dbraw/zinc/71/67/27/331716727.db2.gz AXPCAEOCLMMVGP-REABXYAWSA-N 1 0 320.436 4.410 20 30 DIEDRO CCCCC1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000556595832 331718177 /nfs/dbraw/zinc/71/81/77/331718177.db2.gz YGHRQWLRABFZNY-UHFFFAOYSA-N 1 0 310.445 4.045 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3cc(OC)ccc32)cc1 ZINC000556915379 331753335 /nfs/dbraw/zinc/75/33/35/331753335.db2.gz PKTYUHBRAPZPAI-NRFANRHFSA-N 1 0 323.436 4.427 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+]C(C3CCC3)C3CCC3)CC2)cc1 ZINC000556925729 331755238 /nfs/dbraw/zinc/75/52/38/331755238.db2.gz ZPAZSNPOKNLRCC-UHFFFAOYSA-N 1 0 323.484 4.085 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)c1nnc2n1CCCCC2 ZINC000449114292 331802277 /nfs/dbraw/zinc/80/22/77/331802277.db2.gz ZCPKHKRSKIDCFV-JKSUJKDBSA-N 1 0 304.482 4.180 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)c1nnc2n1CCCCC2 ZINC000449114288 331802293 /nfs/dbraw/zinc/80/22/93/331802293.db2.gz ZCPKHKRSKIDCFV-HOTGVXAUSA-N 1 0 304.482 4.180 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000557753805 331813560 /nfs/dbraw/zinc/81/35/60/331813560.db2.gz KMHMKRNCKKTXIX-ZDUSSCGKSA-N 1 0 300.427 4.259 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)nc1 ZINC000558244897 331887305 /nfs/dbraw/zinc/88/73/05/331887305.db2.gz DFJBHYINEVVKAF-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OC1CCC1)CC2 ZINC000558493255 331912872 /nfs/dbraw/zinc/91/28/72/331912872.db2.gz LJJDNHRWRNDQSF-FQEVSTJZSA-N 1 0 318.420 4.267 20 30 DIEDRO C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)c1c(Cl)cccc1Cl ZINC000558506910 331914921 /nfs/dbraw/zinc/91/49/21/331914921.db2.gz VIHCTMAOQLIZQP-VXGBXAGGSA-N 1 0 310.228 4.130 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000559153804 331983147 /nfs/dbraw/zinc/98/31/47/331983147.db2.gz LEFIOUKTVXHADF-HOTGVXAUSA-N 1 0 302.368 4.136 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518246495 332000373 /nfs/dbraw/zinc/00/03/73/332000373.db2.gz KSVDYFHPAHDVCS-BXTJHSDWSA-N 1 0 306.409 4.053 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000130276083 332023651 /nfs/dbraw/zinc/02/36/51/332023651.db2.gz MGPVQYJOLLLDTB-GFCCVEGCSA-N 1 0 300.427 4.096 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1ccc(OC(F)F)cc1 ZINC000409447318 332031468 /nfs/dbraw/zinc/03/14/68/332031468.db2.gz BOHPMHGDJDJYEB-UHFFFAOYSA-N 1 0 310.388 4.440 20 30 DIEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000409447330 332031859 /nfs/dbraw/zinc/03/18/59/332031859.db2.gz KFTDKCHXDBXEMI-SJLPKXTDSA-N 1 0 300.446 4.168 20 30 DIEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000409447329 332031998 /nfs/dbraw/zinc/03/19/98/332031998.db2.gz KFTDKCHXDBXEMI-FUHWJXTLSA-N 1 0 300.446 4.168 20 30 DIEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Br)cc1 ZINC000087597738 332034432 /nfs/dbraw/zinc/03/44/32/332034432.db2.gz PUMPULDNUQXWHQ-GFCCVEGCSA-N 1 0 309.251 4.430 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000538193845 332088702 /nfs/dbraw/zinc/08/87/02/332088702.db2.gz GIQSRYDVLNJRDF-CABCVRRESA-N 1 0 301.455 4.250 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1OC ZINC000090664617 332092044 /nfs/dbraw/zinc/09/20/44/332092044.db2.gz WPMWBVNJTJAMAK-QAPCUYQASA-N 1 0 324.424 4.399 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000090665397 332092232 /nfs/dbraw/zinc/09/22/32/332092232.db2.gz OODDZLUTQLKVMQ-YJBOKZPZSA-N 1 0 322.408 4.153 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000090665846 332092514 /nfs/dbraw/zinc/09/25/14/332092514.db2.gz GJKHDKQHUPZLQO-RDTXWAMCSA-N 1 0 309.369 4.290 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000090665845 332092542 /nfs/dbraw/zinc/09/25/42/332092542.db2.gz GJKHDKQHUPZLQO-KBXCAEBGSA-N 1 0 309.369 4.290 20 30 DIEDRO Cc1cc(C[C@@H](C)[NH2+]CC(C)(C)CCC#N)n(-c2ccccc2)n1 ZINC000091064223 332099431 /nfs/dbraw/zinc/09/94/31/332099431.db2.gz FANCZYAPFPSHRQ-MRXNPFEDSA-N 1 0 324.472 4.031 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000569509190 332112415 /nfs/dbraw/zinc/11/24/15/332112415.db2.gz YJEQISYKSFAOLL-HZPDHXFCSA-N 1 0 308.425 4.043 20 30 DIEDRO C=CC[N@H+](CCCCC1CCOCC1)Cc1cccc(C#N)c1 ZINC000410335010 332113831 /nfs/dbraw/zinc/11/38/31/332113831.db2.gz KAUNRFPVSJEOCK-UHFFFAOYSA-N 1 0 312.457 4.143 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCC(C(F)(F)F)CC1 ZINC000449444564 332198939 /nfs/dbraw/zinc/19/89/39/332198939.db2.gz BWMVCIAUGUDJCZ-ANLGBYQQSA-N 1 0 302.384 4.416 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000449485068 332284281 /nfs/dbraw/zinc/28/42/81/332284281.db2.gz KRJHDRVFXLTZIP-OAHLLOKOSA-N 1 0 302.462 4.329 20 30 DIEDRO COc1cc(C[NH2+]CCCCC#N)c(-c2ccccc2)cc1OC ZINC000237146108 332316241 /nfs/dbraw/zinc/31/62/41/332316241.db2.gz YZLLRCYNTUMJTR-UHFFFAOYSA-N 1 0 324.424 4.154 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000560245110 332322988 /nfs/dbraw/zinc/32/29/88/332322988.db2.gz RWPCOHHFSPLLOA-CQSZACIVSA-N 1 0 311.853 4.371 20 30 DIEDRO Cc1c([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cnn1C(C)(C)C ZINC000560260781 332324800 /nfs/dbraw/zinc/32/48/00/332324800.db2.gz GSMNGOCWTHSMNE-AWEZNQCLSA-N 1 0 322.456 4.158 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCc4cc(Cl)ccc43)CC2)c1 ZINC000560269122 332325658 /nfs/dbraw/zinc/32/56/58/332325658.db2.gz OQZYWYVDURJJKE-GOSISDBHSA-N 1 0 308.812 4.478 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)ccc1F ZINC000560265545 332326478 /nfs/dbraw/zinc/32/64/78/332326478.db2.gz OSHIBRIQJJOAGG-CYBMUJFWSA-N 1 0 310.372 4.046 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCc3sc(Cl)cc32)ccc1C#N ZINC000564407733 332328338 /nfs/dbraw/zinc/32/83/38/332328338.db2.gz PVQJQTWRNUFFEG-ZDUSSCGKSA-N 1 0 318.829 4.059 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000387527885 332329495 /nfs/dbraw/zinc/32/94/95/332329495.db2.gz PKDGVQZGYFNRAA-CQSZACIVSA-N 1 0 314.816 4.283 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000152960872 332332342 /nfs/dbraw/zinc/33/23/42/332332342.db2.gz IKDQMCZUJXYIIL-AWEZNQCLSA-N 1 0 321.534 4.266 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccc(OC)c(F)c1)c1ccco1 ZINC000560530297 332352537 /nfs/dbraw/zinc/35/25/37/332352537.db2.gz XROYCKNJSVTJLI-MRXNPFEDSA-N 1 0 303.377 4.267 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)cc1 ZINC000560571957 332362565 /nfs/dbraw/zinc/36/25/65/332362565.db2.gz PARAPJXSCHJYTK-XOBRGWDASA-N 1 0 311.400 4.414 20 30 DIEDRO CSCc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000560583996 332365300 /nfs/dbraw/zinc/36/53/00/332365300.db2.gz FSFZPCBOLHRVSH-ZDUSSCGKSA-N 1 0 314.429 4.411 20 30 DIEDRO CC1(C)C[N@H+](Cc2cccc(OCCCC#N)c2)[C@@H]2CCC[C@@H]21 ZINC000560621681 332369716 /nfs/dbraw/zinc/36/97/16/332369716.db2.gz YFTUVMRNMSGRDA-RBUKOAKNSA-N 1 0 312.457 4.380 20 30 DIEDRO Cc1cccc(CC[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000237628442 332380492 /nfs/dbraw/zinc/38/04/92/332380492.db2.gz WEMFOCNIZKUNRZ-UHFFFAOYSA-N 1 0 308.425 4.010 20 30 DIEDRO CCOc1ccc([C@@H]([NH2+]CCCC#N)C(C)C)cc1OCC ZINC000120190752 332384276 /nfs/dbraw/zinc/38/42/76/332384276.db2.gz YDARHSWHHSWOCJ-SFHVURJKSA-N 1 0 304.434 4.074 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000120558389 332387261 /nfs/dbraw/zinc/38/72/61/332387261.db2.gz XGMRONHIAWHKRH-OAHLLOKOSA-N 1 0 306.475 4.059 20 30 DIEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCC(C)(C)C#N)c1 ZINC000583399643 332387302 /nfs/dbraw/zinc/38/73/02/332387302.db2.gz ZRBXMYNTNZXWCN-ZWKOTPCHSA-N 1 0 300.446 4.215 20 30 DIEDRO C[C@H]1CCC[C@@H](CC[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000560930418 332395066 /nfs/dbraw/zinc/39/50/66/332395066.db2.gz UPIZVTRCZLQURX-ROUUACIJSA-N 1 0 311.473 4.155 20 30 DIEDRO CC(C)(C)[C@@H](CC1CCCCC1)[NH2+]Cc1nc(C#N)cs1 ZINC000564410435 332396132 /nfs/dbraw/zinc/39/61/32/332396132.db2.gz OFHLVDPKRPXUSM-OAHLLOKOSA-N 1 0 305.491 4.489 20 30 DIEDRO CC(C)(C)[C@H](CC1CCCCC1)[NH2+]Cc1nc(C#N)cs1 ZINC000564410434 332396141 /nfs/dbraw/zinc/39/61/41/332396141.db2.gz OFHLVDPKRPXUSM-HNNXBMFYSA-N 1 0 305.491 4.489 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000561159407 332418358 /nfs/dbraw/zinc/41/83/58/332418358.db2.gz DPJCAUJDSPJHHL-NHCUHLMSSA-N 1 0 313.404 4.084 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2c(C)noc2C)cc1 ZINC000153979095 332423264 /nfs/dbraw/zinc/42/32/64/332423264.db2.gz YXVLBBJNSUZTFC-LBPRGKRZSA-N 1 0 320.820 4.274 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ncc(Br)s2)CCCC1 ZINC000449603055 332440954 /nfs/dbraw/zinc/44/09/54/332440954.db2.gz FLTUPWSTUYTZIZ-UHFFFAOYSA-N 1 0 315.280 4.132 20 30 DIEDRO CC(C)O[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000428318103 332458494 /nfs/dbraw/zinc/45/84/94/332458494.db2.gz ZTWVDJMWNGTWPA-OXQOHEQNSA-N 1 0 308.425 4.375 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC(C)(C)CCC#N ZINC000151346930 332572717 /nfs/dbraw/zinc/57/27/17/332572717.db2.gz ZWWJIZGWIWCXBT-UHFFFAOYSA-N 1 0 324.472 4.415 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)c1nc2ccccc2s1 ZINC000151382991 332574682 /nfs/dbraw/zinc/57/46/82/332574682.db2.gz FUMVLCKDCYQVSC-KBPBESRZSA-N 1 0 321.449 4.450 20 30 DIEDRO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000570302025 332737376 /nfs/dbraw/zinc/73/73/76/332737376.db2.gz HBDAODKVUKYIDX-XOBRGWDASA-N 1 0 308.400 4.296 20 30 DIEDRO CSc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCC2 ZINC000572643086 332741803 /nfs/dbraw/zinc/74/18/03/332741803.db2.gz IQMKYPVPPFPHNF-YEWWUXTCSA-N 1 0 300.471 4.458 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+]CC(C)(C)CCC#N ZINC000167327210 333017023 /nfs/dbraw/zinc/01/70/23/333017023.db2.gz FDLMLHIOUHTVMG-INIZCTEOSA-N 1 0 300.446 4.035 20 30 DIEDRO N#Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000110596384 333036851 /nfs/dbraw/zinc/03/68/51/333036851.db2.gz VLFMTUZPHDLKIL-SEJPIABJSA-N 1 0 317.436 4.166 20 30 DIEDRO Cc1ccc(CCC2CC[NH+](CCCSCC#N)CC2)cc1 ZINC000466716756 333076646 /nfs/dbraw/zinc/07/66/46/333076646.db2.gz AQPZHVGBHGWEEB-UHFFFAOYSA-N 1 0 316.514 4.287 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000174057181 333081477 /nfs/dbraw/zinc/08/14/77/333081477.db2.gz WUFFAICHAFEATL-INIZCTEOSA-N 1 0 321.424 4.283 20 30 DIEDRO CC(C)(C)OCc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174335394 333085222 /nfs/dbraw/zinc/08/52/22/333085222.db2.gz SIARKLUVDGPJOI-UHFFFAOYSA-N 1 0 302.462 4.421 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000174812902 333091010 /nfs/dbraw/zinc/09/10/10/333091010.db2.gz TYBBBQYXGCLTFF-UHFFFAOYSA-N 1 0 309.797 4.010 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(COc2ccccc2)CC1 ZINC000174859246 333091799 /nfs/dbraw/zinc/09/17/99/333091799.db2.gz WHXWMTGPRNXEES-UHFFFAOYSA-N 1 0 300.446 4.107 20 30 DIEDRO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000174857431 333091848 /nfs/dbraw/zinc/09/18/48/333091848.db2.gz YVFDUZNQLZQMTB-RYRKJORJSA-N 1 0 300.446 4.167 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)cc1OC ZINC000174863197 333092002 /nfs/dbraw/zinc/09/20/02/333092002.db2.gz IERGFKWSDVSZAY-INIZCTEOSA-N 1 0 316.445 4.171 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](C)Oc1cccc(C)c1 ZINC000462736377 333101646 /nfs/dbraw/zinc/10/16/46/333101646.db2.gz SGFWCZKWNATAQG-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1OC ZINC000462737055 333102344 /nfs/dbraw/zinc/10/23/44/333102344.db2.gz OTBNRSDRLJILOH-KZNAEPCWSA-N 1 0 315.457 4.318 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CCCCC#N)ccc1SC(F)F ZINC000178648895 333141993 /nfs/dbraw/zinc/14/19/93/333141993.db2.gz CGEKURYTUWVNQN-LLVKDONJSA-N 1 0 314.401 4.354 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1Cl ZINC000182062540 333149065 /nfs/dbraw/zinc/14/90/65/333149065.db2.gz WYQLHSXBCFJZIY-AWEZNQCLSA-N 1 0 316.832 4.493 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187823836 333150303 /nfs/dbraw/zinc/15/03/03/333150303.db2.gz CIHUVBKVWALINA-HNNXBMFYSA-N 1 0 306.881 4.074 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)c1cccc(OCc2ccccn2)c1 ZINC000179691806 333154387 /nfs/dbraw/zinc/15/43/87/333154387.db2.gz RUEUCSIJOUPIPG-INIZCTEOSA-N 1 0 309.413 4.005 20 30 DIEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762320 333155174 /nfs/dbraw/zinc/15/51/74/333155174.db2.gz DTOUQKFJYGONIE-AWEZNQCLSA-N 1 0 313.445 4.016 20 30 DIEDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1C ZINC000180552619 333163090 /nfs/dbraw/zinc/16/30/90/333163090.db2.gz ZBPNJUUSICPSSF-KRWDZBQOSA-N 1 0 308.425 4.365 20 30 DIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000181521939 333169944 /nfs/dbraw/zinc/16/99/44/333169944.db2.gz RIFKBPZVCFUZKI-HNNXBMFYSA-N 1 0 324.399 4.110 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](CCC#N)c1ccccc1)CC2 ZINC000181569981 333170144 /nfs/dbraw/zinc/17/01/44/333170144.db2.gz JRGQSNGNNIJHBO-WOJBJXKFSA-N 1 0 306.409 4.317 20 30 DIEDRO Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181828543 333172757 /nfs/dbraw/zinc/17/27/57/333172757.db2.gz MUCPKNJUZPGDLW-IRXDYDNUSA-N 1 0 324.424 4.016 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000181976419 333174197 /nfs/dbraw/zinc/17/41/97/333174197.db2.gz QCHOZTVTFYEPLS-GOSISDBHSA-N 1 0 316.445 4.074 20 30 DIEDRO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000182004070 333174392 /nfs/dbraw/zinc/17/43/92/333174392.db2.gz BTMVPAUAPRHLEN-KRWDZBQOSA-N 1 0 308.425 4.365 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000182052247 333175116 /nfs/dbraw/zinc/17/51/16/333175116.db2.gz VXMSKRAUMIXCBR-OXQOHEQNSA-N 1 0 319.408 4.285 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(OCC#N)cc1 ZINC000182221466 333176837 /nfs/dbraw/zinc/17/68/37/333176837.db2.gz VHWPLOVRYJYCHB-CQSZACIVSA-N 1 0 310.372 4.068 20 30 DIEDRO CC([NH2+]CCCSCC#N)(c1ccccc1)c1ccccc1 ZINC000182216039 333176841 /nfs/dbraw/zinc/17/68/41/333176841.db2.gz SPYTVJAJMOZSPO-UHFFFAOYSA-N 1 0 310.466 4.187 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000430735997 335126621 /nfs/dbraw/zinc/12/66/21/335126621.db2.gz BPFLJAHLINRFNS-OAHLLOKOSA-N 1 0 308.347 4.440 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccc(C(F)(F)F)cc1 ZINC000182467500 333178345 /nfs/dbraw/zinc/17/83/45/333178345.db2.gz PTORBCMIRDSTIB-LLVKDONJSA-N 1 0 302.365 4.003 20 30 DIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000367624737 333187476 /nfs/dbraw/zinc/18/74/76/333187476.db2.gz WWLNBURPWJTSBD-IPMKNSEASA-N 1 0 314.473 4.257 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294478757 335123080 /nfs/dbraw/zinc/12/30/80/335123080.db2.gz XDTKIWHYKWSMNP-GDBMZVCRSA-N 1 0 302.418 4.039 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCc1c(C)[nH]c2ccccc21 ZINC000518783353 333211601 /nfs/dbraw/zinc/21/16/01/333211601.db2.gz IZXCFTQJXDKQCQ-UHFFFAOYSA-N 1 0 320.436 4.373 20 30 DIEDRO Cc1ccc(C[C@@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000185831283 333214806 /nfs/dbraw/zinc/21/48/06/333214806.db2.gz ZCAHMWYDNJNORT-IRFCIJBXSA-N 1 0 319.452 4.346 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185844974 333214976 /nfs/dbraw/zinc/21/49/76/333214976.db2.gz BVFWFYKRWOZCDW-MTFMMBMASA-N 1 0 312.457 4.135 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1cc(Cl)ccc1Cl ZINC000186780494 333222966 /nfs/dbraw/zinc/22/29/66/333222966.db2.gz LSAJMKCNTMFDGL-JTQLQIEISA-N 1 0 303.258 4.291 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)c1 ZINC000518785003 333227700 /nfs/dbraw/zinc/22/77/00/333227700.db2.gz GDSYKIJRURAWOM-UHFFFAOYSA-N 1 0 318.342 4.299 20 30 DIEDRO CCOc1ccc([C@@H](CC)[NH2+]CC2(CC#N)CC2)cc1OCC ZINC000430739336 335129279 /nfs/dbraw/zinc/12/92/79/335129279.db2.gz HYEWFPNEOPZUEM-MRXNPFEDSA-N 1 0 316.445 4.219 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000497388530 333244336 /nfs/dbraw/zinc/24/43/36/333244336.db2.gz UHPOJSAVKQNRLG-VHFSOBRXSA-N 1 0 324.399 4.126 20 30 DIEDRO C=CCSCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498768104 333254236 /nfs/dbraw/zinc/25/42/36/333254236.db2.gz XGXMTTJKEMJXIV-LJQANCHMSA-N 1 0 324.449 4.426 20 30 DIEDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCOc1ccccc1C#N ZINC000497584584 333265952 /nfs/dbraw/zinc/26/59/52/333265952.db2.gz HPSZJEYMYTZXLP-OAHLLOKOSA-N 1 0 320.392 4.376 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cnn1C(C)C ZINC000191388423 333279757 /nfs/dbraw/zinc/27/97/57/333279757.db2.gz QADVJWFQJQWTLL-KXBFYZLASA-N 1 0 310.445 4.468 20 30 DIEDRO Cc1cccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccn2)c1 ZINC000193062271 333298182 /nfs/dbraw/zinc/29/81/82/333298182.db2.gz WJPWYYLSYYZRMX-QRFRQXIXSA-N 1 0 305.425 4.151 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390578777 333302792 /nfs/dbraw/zinc/30/27/92/333302792.db2.gz DJWBZAWRSKYNSE-PKOBYXMFSA-N 1 0 300.490 4.231 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CCC)CC2CCCC2)CC1 ZINC000499828566 333314281 /nfs/dbraw/zinc/31/42/81/333314281.db2.gz AEXLDQFCKMRVDH-SFHVURJKSA-N 1 0 320.521 4.140 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)Cc2ccncc2)cc1Cl ZINC000531391349 333349033 /nfs/dbraw/zinc/34/90/33/333349033.db2.gz KDAAXZWNJBCXOQ-CQSZACIVSA-N 1 0 316.832 4.021 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1ccc(F)cc1C#N)c1ccccc1 ZINC000320784452 335141305 /nfs/dbraw/zinc/14/13/05/335141305.db2.gz HIMOJVGEFJPGLL-LJQANCHMSA-N 1 0 311.404 4.192 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCO[C@H]1CCCCO1)c1ccccc1 ZINC000338286301 333479216 /nfs/dbraw/zinc/47/92/16/333479216.db2.gz KYHVVJMHSXRSRQ-OALUTQOASA-N 1 0 303.446 4.217 20 30 DIEDRO C=CCCCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000338793810 333498562 /nfs/dbraw/zinc/49/85/62/333498562.db2.gz OJKTXHZWAPIUJB-QZTJIDSGSA-N 1 0 301.430 4.114 20 30 DIEDRO C[C@H]([NH2+]CCOCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000339071507 333508023 /nfs/dbraw/zinc/50/80/23/333508023.db2.gz RFVFFMBXSDGNDT-INIZCTEOSA-N 1 0 310.397 4.060 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1OC(F)F ZINC000391464813 333515096 /nfs/dbraw/zinc/51/50/96/333515096.db2.gz CFNSELJWTTVNTK-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO C=C(C[NH2+]Cc1ccccc1Br)c1ccccc1 ZINC000110057565 333554960 /nfs/dbraw/zinc/55/49/60/333554960.db2.gz VTXNNZQKCJOQPP-UHFFFAOYSA-N 1 0 302.215 4.252 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCCc2nc(Cl)ccc21)c1ccccc1 ZINC000296913431 335149980 /nfs/dbraw/zinc/14/99/80/335149980.db2.gz PKLCJNQLSUICGW-IRXDYDNUSA-N 1 0 310.828 4.467 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000571170964 333675943 /nfs/dbraw/zinc/67/59/43/333675943.db2.gz AUVPCPDQUIVJBQ-IBGZPJMESA-N 1 0 312.388 4.359 20 30 DIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC2(C#N)CCCCC2)c1 ZINC000411451694 333676015 /nfs/dbraw/zinc/67/60/15/333676015.db2.gz VTVGZFARIGREPL-OAHLLOKOSA-N 1 0 313.445 4.160 20 30 DIEDRO COC[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc(F)c(F)c1 ZINC000411470939 333678068 /nfs/dbraw/zinc/67/80/68/333678068.db2.gz DSFHZBCSMXAWLT-KRWDZBQOSA-N 1 0 322.399 4.106 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C(=O)OCC)cn1)c1ccccc1 ZINC000411476144 333678866 /nfs/dbraw/zinc/67/88/66/333678866.db2.gz UGZDKTRACNBVQS-IBGZPJMESA-N 1 0 324.424 4.055 20 30 DIEDRO Cc1ccc(C2CC[NH+](CCC3(C#N)CCCCC3)CC2)cn1 ZINC000411506478 333684274 /nfs/dbraw/zinc/68/42/74/333684274.db2.gz PYMPMWNPBPOGLQ-UHFFFAOYSA-N 1 0 311.473 4.434 20 30 DIEDRO CC(C)(C#N)CC[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412012177 333719457 /nfs/dbraw/zinc/71/94/57/333719457.db2.gz WVROLIYXVLMKKP-GOSISDBHSA-N 1 0 314.473 4.200 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1sccc1OC ZINC000186160255 335156593 /nfs/dbraw/zinc/15/65/93/335156593.db2.gz UYLKLQCLLISDMY-ZDUSSCGKSA-N 1 0 303.427 4.172 20 30 DIEDRO CC1CC[NH+](CCc2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442828925 335157734 /nfs/dbraw/zinc/15/77/34/335157734.db2.gz SQXXQIRTSBNVBJ-UYAOXDASSA-N 1 0 311.473 4.065 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)s1 ZINC000343436765 335164424 /nfs/dbraw/zinc/16/44/24/335164424.db2.gz ZQKYJUYWGWGSTP-AWEZNQCLSA-N 1 0 310.344 4.403 20 30 DIEDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cn1 ZINC000414152143 333903780 /nfs/dbraw/zinc/90/37/80/333903780.db2.gz WXDFGZWHKBTSRC-APWZRJJASA-N 1 0 323.440 4.046 20 30 DIEDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cn1 ZINC000414152152 333903911 /nfs/dbraw/zinc/90/39/11/333903911.db2.gz WXDFGZWHKBTSRC-LPHOPBHVSA-N 1 0 323.440 4.046 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC(C)(C)CC#N)c2ccccc2)cc1 ZINC000414164313 333915914 /nfs/dbraw/zinc/91/59/14/333915914.db2.gz KEBLLRWNPCUUQH-LJQANCHMSA-N 1 0 308.425 4.314 20 30 DIEDRO COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC(C)(C)CC#N)cc1F ZINC000414168247 333916977 /nfs/dbraw/zinc/91/69/77/333916977.db2.gz QKENSJKIRNURDZ-NVXWUHKLSA-N 1 0 318.436 4.390 20 30 DIEDRO CC[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(C#N)cc1 ZINC000414236918 333917681 /nfs/dbraw/zinc/91/76/81/333917681.db2.gz WDYRVQYHOYGMIJ-IBGZPJMESA-N 1 0 307.441 4.492 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414347817 333943486 /nfs/dbraw/zinc/94/34/86/333943486.db2.gz NPOBQSAJVVMKBV-SFANZJOMSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(OCC#N)cc1 ZINC000267002432 333977958 /nfs/dbraw/zinc/97/79/58/333977958.db2.gz CZMXBXYNERHZGH-YJYMSZOUSA-N 1 0 310.372 4.066 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000414506440 334001002 /nfs/dbraw/zinc/00/10/02/334001002.db2.gz WMJQAJDOKIFSNK-GXTWGEPZSA-N 1 0 317.845 4.094 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000414506442 334001032 /nfs/dbraw/zinc/00/10/32/334001032.db2.gz WMJQAJDOKIFSNK-JSGCOSHPSA-N 1 0 317.845 4.094 20 30 DIEDRO C[N@H+](Cc1nc(C#N)cs1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000414525865 334007081 /nfs/dbraw/zinc/00/70/81/334007081.db2.gz KLHMVOZLIFIEOY-IRXDYDNUSA-N 1 0 311.454 4.173 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ncc(CSC)s1 ZINC000414536889 334012695 /nfs/dbraw/zinc/01/26/95/334012695.db2.gz OCJHQUQYKLQPJA-HNNXBMFYSA-N 1 0 318.511 4.283 20 30 DIEDRO N#CCCCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000271136252 334019164 /nfs/dbraw/zinc/01/91/64/334019164.db2.gz MXVLXRUPGKJERP-GOSISDBHSA-N 1 0 313.832 4.302 20 30 DIEDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000414563302 334020717 /nfs/dbraw/zinc/02/07/17/334020717.db2.gz WFMFCVFWNVBTBD-MRXNPFEDSA-N 1 0 322.493 4.150 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000271434699 334023288 /nfs/dbraw/zinc/02/32/88/334023288.db2.gz BNQBVGMNXPLREZ-YWZLYKJASA-N 1 0 306.409 4.412 20 30 DIEDRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271523519 334024315 /nfs/dbraw/zinc/02/43/15/334024315.db2.gz VFEKUBBEOPDPSF-HZPDHXFCSA-N 1 0 324.424 4.399 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000271829742 334027555 /nfs/dbraw/zinc/02/75/55/334027555.db2.gz DRKHJUUXJRVEQO-OXJNMPFZSA-N 1 0 304.393 4.004 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1OCC ZINC000272029495 334029709 /nfs/dbraw/zinc/02/97/09/334029709.db2.gz OXMFWDIFENWWBE-CQSZACIVSA-N 1 0 304.434 4.074 20 30 DIEDRO CC(C)(C#N)CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000272036106 334030013 /nfs/dbraw/zinc/03/00/13/334030013.db2.gz QBHRKHIIZYKCOI-ZDUSSCGKSA-N 1 0 302.315 4.349 20 30 DIEDRO CSCCCCCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000273080524 334042867 /nfs/dbraw/zinc/04/28/67/334042867.db2.gz QMMQSZJWRYJILS-UHFFFAOYSA-N 1 0 319.518 4.049 20 30 DIEDRO CCOc1cc(C[NH2+]CCCC#N)ccc1OCc1ccccc1 ZINC000273109302 334043487 /nfs/dbraw/zinc/04/34/87/334043487.db2.gz XEXOPPCBSPLQDP-UHFFFAOYSA-N 1 0 324.424 4.058 20 30 DIEDRO C[N@H+](CC(C)(C)CCC#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273476938 334047911 /nfs/dbraw/zinc/04/79/11/334047911.db2.gz KLLLGCYSOAPEBP-ZWKOTPCHSA-N 1 0 318.436 4.308 20 30 DIEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000277628662 334089471 /nfs/dbraw/zinc/08/94/71/334089471.db2.gz GRFHWUOPNQVYDN-SJLPKXTDSA-N 1 0 300.446 4.168 20 30 DIEDRO COc1cc(C[N@H+](CCCCC(C)(C)C#N)C2CC2)ccc1O ZINC000277619325 334089631 /nfs/dbraw/zinc/08/96/31/334089631.db2.gz GGLBVHYGFJICTH-UHFFFAOYSA-N 1 0 316.445 4.085 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000278210741 334093514 /nfs/dbraw/zinc/09/35/14/334093514.db2.gz SUURZYOVOKCSPM-IBGZPJMESA-N 1 0 314.473 4.152 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(-n2cccn2)cc1 ZINC000278574195 334098385 /nfs/dbraw/zinc/09/83/85/334098385.db2.gz CHBJYQBSQHOLMW-INIZCTEOSA-N 1 0 310.445 4.243 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000278613476 334098674 /nfs/dbraw/zinc/09/86/74/334098674.db2.gz FOMJMXMYUALPFQ-IEBWSBKVSA-N 1 0 314.473 4.464 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000278613483 334098700 /nfs/dbraw/zinc/09/87/00/334098700.db2.gz FOMJMXMYUALPFQ-MJGOQNOKSA-N 1 0 314.473 4.464 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)C1 ZINC000278828804 334101992 /nfs/dbraw/zinc/10/19/92/334101992.db2.gz TUCWNSSVYBHVNM-YPMHNXCESA-N 1 0 319.861 4.164 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Br)cn1 ZINC000280588522 334118626 /nfs/dbraw/zinc/11/86/26/334118626.db2.gz UBTZETIZGPCONC-GFCCVEGCSA-N 1 0 324.266 4.215 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]CCCC1(C#N)CCOCC1)C1CC1 ZINC000282015789 334130606 /nfs/dbraw/zinc/13/06/06/334130606.db2.gz OTDRTNJGJWCUAQ-IBGZPJMESA-N 1 0 312.457 4.136 20 30 DIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1Cl ZINC000282082403 334131104 /nfs/dbraw/zinc/13/11/04/334131104.db2.gz UOBFCZBAYDOFFM-UHFFFAOYSA-N 1 0 320.864 4.262 20 30 DIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)Cc1cccc(Cl)c1 ZINC000282101340 334131287 /nfs/dbraw/zinc/13/12/87/334131287.db2.gz WBWNBWMAPAFCLB-UHFFFAOYSA-N 1 0 320.864 4.262 20 30 DIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)cc1 ZINC000282112864 334131368 /nfs/dbraw/zinc/13/13/68/334131368.db2.gz XDTLEQRNCUGWQG-UHFFFAOYSA-N 1 0 320.864 4.262 20 30 DIEDRO COCCC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000282173291 334132203 /nfs/dbraw/zinc/13/22/03/334132203.db2.gz FCXTUUGQNFPFRF-RJYAGPCLSA-N 1 0 318.436 4.213 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000282198689 334132359 /nfs/dbraw/zinc/13/23/59/334132359.db2.gz GSBPTFYPIBBPCF-ALLBUHFWSA-N 1 0 323.415 4.230 20 30 DIEDRO N#CCC[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000282504261 334135327 /nfs/dbraw/zinc/13/53/27/334135327.db2.gz YKJDRRYAURZSLN-APWZRJJASA-N 1 0 315.420 4.270 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000282773764 334136988 /nfs/dbraw/zinc/13/69/88/334136988.db2.gz PDFUTLRNOQLABJ-ZIAGYGMSSA-N 1 0 308.372 4.065 20 30 DIEDRO COCC[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000284759052 334144500 /nfs/dbraw/zinc/14/45/00/334144500.db2.gz LZCMCOOQXIHLGW-OAHLLOKOSA-N 1 0 315.244 4.354 20 30 DIEDRO CC[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000285448984 334148209 /nfs/dbraw/zinc/14/82/09/334148209.db2.gz MANUHQMIFSEAGR-HNNXBMFYSA-N 1 0 304.434 4.074 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C1 ZINC000467434852 334152544 /nfs/dbraw/zinc/15/25/44/334152544.db2.gz FZMBWHRDPPKQEE-CMAYJEJSSA-N 1 0 306.812 4.397 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289439475 334165370 /nfs/dbraw/zinc/16/53/70/334165370.db2.gz DOHWRAXXMIKUND-RTBURBONSA-N 1 0 324.468 4.021 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414910723 334173362 /nfs/dbraw/zinc/17/33/62/334173362.db2.gz GATLWZSXZPXDKR-LJQANCHMSA-N 1 0 308.425 4.001 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000291336518 334177798 /nfs/dbraw/zinc/17/77/98/334177798.db2.gz WBRKDRXJNACUMC-VQTJNVASSA-N 1 0 306.409 4.404 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827695 334192908 /nfs/dbraw/zinc/19/29/08/334192908.db2.gz ONQVFEZDTCPABT-CJNGLKHVSA-N 1 0 309.388 4.088 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000292870387 334193608 /nfs/dbraw/zinc/19/36/08/334193608.db2.gz DDROQGBPFSQZAD-UHFFFAOYSA-N 1 0 322.456 4.156 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000340432353 334199128 /nfs/dbraw/zinc/19/91/28/334199128.db2.gz NDIFNQQORRXLEW-PMACEKPBSA-N 1 0 320.436 4.405 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562548 334199172 /nfs/dbraw/zinc/19/91/72/334199172.db2.gz MGGZYVUIHDSKOP-XNRPHZJLSA-N 1 0 306.862 4.199 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000293676716 334200619 /nfs/dbraw/zinc/20/06/19/334200619.db2.gz NAIUDUCUDMMAHW-HUUCEWRRSA-N 1 0 322.399 4.455 20 30 DIEDRO COc1cccc(C[C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000340444172 334203053 /nfs/dbraw/zinc/20/30/53/334203053.db2.gz CFGPHKFQUBBPST-VQIMIIECSA-N 1 0 323.440 4.046 20 30 DIEDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340448419 334204658 /nfs/dbraw/zinc/20/46/58/334204658.db2.gz TUCXEQBGBRNNOS-FHWLQOOXSA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1ncc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)n1 ZINC000340449710 334205457 /nfs/dbraw/zinc/20/54/57/334205457.db2.gz WAAMBFIHWGCRIC-KXBFYZLASA-N 1 0 308.429 4.179 20 30 DIEDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cn1 ZINC000295100634 334218685 /nfs/dbraw/zinc/21/86/85/334218685.db2.gz SQJDMEWAIKRAPG-WMZOPIPTSA-N 1 0 320.440 4.021 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000295122332 334219075 /nfs/dbraw/zinc/21/90/75/334219075.db2.gz WTJZUSDRKPBORP-GWCFXTLKSA-N 1 0 300.299 4.016 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000295131817 334219097 /nfs/dbraw/zinc/21/90/97/334219097.db2.gz YCHXDRGADWSEBT-HZMBPMFUSA-N 1 0 300.299 4.016 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(C2CC2)c1 ZINC000295560293 334225171 /nfs/dbraw/zinc/22/51/71/334225171.db2.gz XVZGMTSGFPCFSB-MRXNPFEDSA-N 1 0 312.457 4.315 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296307567 334231733 /nfs/dbraw/zinc/23/17/33/334231733.db2.gz NVXLCRKXGRTCHQ-INIZCTEOSA-N 1 0 308.853 4.025 20 30 DIEDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000296373571 334233013 /nfs/dbraw/zinc/23/30/13/334233013.db2.gz JHONOGZSOUQJIX-YDHLFZDLSA-N 1 0 306.837 4.472 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000296642375 334235658 /nfs/dbraw/zinc/23/56/58/334235658.db2.gz YDCPRSCEFYFQLJ-OWQGQXMQSA-N 1 0 302.849 4.333 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1OC(F)F ZINC000296651745 334235659 /nfs/dbraw/zinc/23/56/59/334235659.db2.gz YXRAIYINZFQQQC-OBJOEFQTSA-N 1 0 324.371 4.030 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1ccc(OCC#N)cc1 ZINC000297367076 334240815 /nfs/dbraw/zinc/24/08/15/334240815.db2.gz QEKGPLOTDCXPML-AWEZNQCLSA-N 1 0 324.399 4.456 20 30 DIEDRO C[C@H](CCC#N)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000298087420 334246413 /nfs/dbraw/zinc/24/64/13/334246413.db2.gz HYHCNGBAUZIXAT-SNVBAGLBSA-N 1 0 317.380 4.034 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)cc1OCCCC#N ZINC000120004626 334298407 /nfs/dbraw/zinc/29/84/07/334298407.db2.gz RWKULMGTQQLDIK-RDJZCZTQSA-N 1 0 316.445 4.046 20 30 DIEDRO C[N@@H+]1CCC[C@@H]1CCSc1nc(-c2ccccc2)ccc1C#N ZINC000534608364 334299505 /nfs/dbraw/zinc/29/95/05/334299505.db2.gz GNZADNUWKPFAAZ-QGZVFWFLSA-N 1 0 323.465 4.197 20 30 DIEDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1)N(C)C ZINC000443213157 338447632 /nfs/dbraw/zinc/44/76/32/338447632.db2.gz GJHFWQRFSXQONE-WWMYMODYSA-N 1 0 321.468 4.209 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CCCCC#N)ccc1OC1CCCC1 ZINC000341614095 334461928 /nfs/dbraw/zinc/46/19/28/334461928.db2.gz AUDIEJRCKKJSRH-OAHLLOKOSA-N 1 0 316.445 4.361 20 30 DIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341710662 334472592 /nfs/dbraw/zinc/47/25/92/334472592.db2.gz NQBIZHBBBHMDLB-QVKFZJNVSA-N 1 0 320.436 4.252 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000341758657 334477736 /nfs/dbraw/zinc/47/77/36/334477736.db2.gz AQEZDHCXDVOBFH-VLIAUNLRSA-N 1 0 301.393 4.158 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccc1C ZINC000341763272 334478518 /nfs/dbraw/zinc/47/85/18/334478518.db2.gz WNINLDJNWPSMTA-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000341886433 334489761 /nfs/dbraw/zinc/48/97/61/334489761.db2.gz NPGIKIVDNZXVPD-DOMZBBRYSA-N 1 0 311.878 4.041 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cc(F)cc4cccnc43)CC2)c1 ZINC000341974697 334498932 /nfs/dbraw/zinc/49/89/32/334498932.db2.gz RPRWRKWFNOQDTI-UHFFFAOYSA-N 1 0 317.367 4.024 20 30 DIEDRO CCOc1cc(C[NH2+]CC(C)(C)CCC#N)cc(Cl)c1OC ZINC000342290412 334525331 /nfs/dbraw/zinc/52/53/31/334525331.db2.gz CXSVSVOINCSHLK-UHFFFAOYSA-N 1 0 324.852 4.167 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1Cl ZINC000342623359 334555237 /nfs/dbraw/zinc/55/52/37/334555237.db2.gz YNXVDMNJLVSURP-CYBMUJFWSA-N 1 0 306.837 4.472 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)ccc1C#N ZINC000441353335 334703457 /nfs/dbraw/zinc/70/34/57/334703457.db2.gz MJXLQGATOVFAFZ-RDJZCZTQSA-N 1 0 324.399 4.132 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417306632 334704543 /nfs/dbraw/zinc/70/45/43/334704543.db2.gz CWCAGVQWQYYURF-LJQANCHMSA-N 1 0 321.380 4.024 20 30 DIEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000532068110 334719350 /nfs/dbraw/zinc/71/93/50/334719350.db2.gz VVBCOJAQIKKLLQ-GOSISDBHSA-N 1 0 300.446 4.428 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1COCc2ccccc21 ZINC000417361310 334735698 /nfs/dbraw/zinc/73/56/98/334735698.db2.gz KPHNRAZRWMSSTG-RTWAWAEBSA-N 1 0 318.420 4.187 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417367328 334755426 /nfs/dbraw/zinc/75/54/26/334755426.db2.gz OPUPVCXZHHTDOX-ROUUACIJSA-N 1 0 309.388 4.211 20 30 DIEDRO CC(C)[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417373249 334764922 /nfs/dbraw/zinc/76/49/22/334764922.db2.gz XAJCBXNFBXTRCJ-UXHICEINSA-N 1 0 305.425 4.318 20 30 DIEDRO Cc1cc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)ccc1C#N ZINC000443973700 338465006 /nfs/dbraw/zinc/46/50/06/338465006.db2.gz PUZDEEUDLCUDSP-IBGZPJMESA-N 1 0 318.424 4.230 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000444000608 338466381 /nfs/dbraw/zinc/46/63/81/338466381.db2.gz WLFJMTUAWFMWHA-CZUORRHYSA-N 1 0 310.363 4.325 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417393388 334820781 /nfs/dbraw/zinc/82/07/81/334820781.db2.gz UGPYJAKWCLVZSU-DJJJIMSYSA-N 1 0 321.380 4.195 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000189578114 334902296 /nfs/dbraw/zinc/90/22/96/334902296.db2.gz XYMOSICTJTUDQB-JTQLQIEISA-N 1 0 308.212 4.054 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)c2ccsc2S1 ZINC000343622841 335182199 /nfs/dbraw/zinc/18/21/99/335182199.db2.gz VMYSIFVBHMYNOQ-LRDDRELGSA-N 1 0 314.479 4.377 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)c2ccsc2S1 ZINC000343622848 335182239 /nfs/dbraw/zinc/18/22/39/335182239.db2.gz VMYSIFVBHMYNOQ-WBMJQRKESA-N 1 0 314.479 4.377 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000344371048 335245347 /nfs/dbraw/zinc/24/53/47/335245347.db2.gz DWWZVUKUEUCHGS-GPMSIDNRSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000344371049 335245382 /nfs/dbraw/zinc/24/53/82/335245382.db2.gz DWWZVUKUEUCHGS-MDZRGWNJSA-N 1 0 300.446 4.283 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccncc3)cc2)c(F)c1 ZINC000344481531 335252813 /nfs/dbraw/zinc/25/28/13/335252813.db2.gz UKEZEFHWBZCEPS-UHFFFAOYSA-N 1 0 317.367 4.049 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000344821399 335281261 /nfs/dbraw/zinc/28/12/61/335281261.db2.gz JCCFRGGXUUKVNB-OAHLLOKOSA-N 1 0 308.372 4.037 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)s1 ZINC000345708237 335349245 /nfs/dbraw/zinc/34/92/45/335349245.db2.gz OQPMTCSCRBTBHN-OAHLLOKOSA-N 1 0 318.829 4.277 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(C#N)c(F)c1 ZINC000346126952 335377035 /nfs/dbraw/zinc/37/70/35/335377035.db2.gz BYGFUNXWRWBTQK-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO CC1(C)CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000346220899 335385654 /nfs/dbraw/zinc/38/56/54/335385654.db2.gz KRQBZZGREGZZLI-GOSISDBHSA-N 1 0 322.456 4.132 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC)c1ccccc1 ZINC000346781196 335440261 /nfs/dbraw/zinc/44/02/61/335440261.db2.gz PVSJYWBDFRAYMQ-OAHLLOKOSA-N 1 0 324.424 4.018 20 30 DIEDRO COCCC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)cc1 ZINC000348227870 335563315 /nfs/dbraw/zinc/56/33/15/335563315.db2.gz NAABMJKOIRPLLO-QGZVFWFLSA-N 1 0 306.425 4.213 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CCC#N)cc1OCC ZINC000348209020 335566444 /nfs/dbraw/zinc/56/64/44/335566444.db2.gz VYQWIPARSYCIST-HNNXBMFYSA-N 1 0 318.461 4.465 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444783026 338488720 /nfs/dbraw/zinc/48/87/20/338488720.db2.gz KCFLDJVYCCBOOZ-GOSISDBHSA-N 1 0 301.474 4.048 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000348687294 335602484 /nfs/dbraw/zinc/60/24/84/335602484.db2.gz UBTCVHGMYAUDRB-IFXJQAMLSA-N 1 0 321.424 4.080 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2cc(C#N)cs2)C2CC2)ccc1F ZINC000536098871 335819894 /nfs/dbraw/zinc/81/98/94/335819894.db2.gz KOISCBIVQJBXBU-QGZVFWFLSA-N 1 0 300.402 4.308 20 30 DIEDRO C=CCC[C@H]([NH2+]CCOc1ncccc1Cl)c1ccco1 ZINC000572506878 338506428 /nfs/dbraw/zinc/50/64/28/338506428.db2.gz SYOPPNVAAGPFHO-AWEZNQCLSA-N 1 0 306.793 4.004 20 30 DIEDRO COc1cccc2c1CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)C2 ZINC000192445971 336032811 /nfs/dbraw/zinc/03/28/11/336032811.db2.gz RJOXQMLEDTYQDK-AZUAARDMSA-N 1 0 320.436 4.187 20 30 DIEDRO CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC(C)C ZINC000351603246 336049161 /nfs/dbraw/zinc/04/91/61/336049161.db2.gz OUZUUYYPPHNUEN-UHFFFAOYSA-N 1 0 324.472 4.332 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000332336413 336168786 /nfs/dbraw/zinc/16/87/86/336168786.db2.gz DCQLOGCKQRRQJP-UHFFFAOYSA-N 1 0 315.420 4.351 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1nc(C2CCCCC2)no1 ZINC000333548648 336205380 /nfs/dbraw/zinc/20/53/80/336205380.db2.gz MDXKNKWSNMQIDI-UQHVZDHRSA-N 1 0 316.449 4.240 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)sc1Br ZINC000352704379 336231337 /nfs/dbraw/zinc/23/13/37/336231337.db2.gz JKVPSAQGOJJURZ-SNVBAGLBSA-N 1 0 313.264 4.164 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000042797086 336242750 /nfs/dbraw/zinc/24/27/50/336242750.db2.gz HZJJSLOKOMHSID-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000532557216 336255550 /nfs/dbraw/zinc/25/55/50/336255550.db2.gz DURMDUPQMRDFEB-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000532565985 336255857 /nfs/dbraw/zinc/25/58/57/336255857.db2.gz BMJMVBJAHVHKOX-YLJYHZDGSA-N 1 0 308.400 4.198 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCC2)c(F)c1 ZINC000532588000 336256602 /nfs/dbraw/zinc/25/66/02/336256602.db2.gz BOINKOGCCZWEHW-UHFFFAOYSA-N 1 0 312.363 4.048 20 30 DIEDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000352863257 336282876 /nfs/dbraw/zinc/28/28/76/336282876.db2.gz TXRDFJOECOAZAC-CXAGYDPISA-N 1 0 311.454 4.031 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000192931700 336284734 /nfs/dbraw/zinc/28/47/34/336284734.db2.gz IDVWEGNXKBMJBR-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000192931921 336284984 /nfs/dbraw/zinc/28/49/84/336284984.db2.gz USCGJCWPNZCUMT-LAUBAEHRSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@@H]([NH2+]C1(CNc2ccc(C#N)cn2)CCCC1)c1ccccc1 ZINC000301159232 336292538 /nfs/dbraw/zinc/29/25/38/336292538.db2.gz CZIDHPPSJKSHJK-MRXNPFEDSA-N 1 0 320.440 4.029 20 30 DIEDRO CC[N@H+](C)Cc1cccc(CNc2cc(Cl)ccc2C#N)c1 ZINC000301168463 336293062 /nfs/dbraw/zinc/29/30/62/336293062.db2.gz FQGAGKPNRWKIJM-UHFFFAOYSA-N 1 0 313.832 4.275 20 30 DIEDRO CCCC[N@H+](C)CC1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301559978 336314997 /nfs/dbraw/zinc/31/49/97/336314997.db2.gz XRHRAFMDFKAKJL-UHFFFAOYSA-N 1 0 319.880 4.160 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301642016 336320081 /nfs/dbraw/zinc/32/00/81/336320081.db2.gz ZEPGOMVDAGHEPL-UHFFFAOYSA-N 1 0 323.362 4.029 20 30 DIEDRO Cc1cc(NCc2cc(C#N)ccc2F)c2cc(F)ccc2[nH+]1 ZINC000301685770 336323414 /nfs/dbraw/zinc/32/34/14/336323414.db2.gz ULMAKLFUGJKQOA-UHFFFAOYSA-N 1 0 309.319 4.305 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc2cc(C#N)ccc2n1 ZINC000301957071 336339898 /nfs/dbraw/zinc/33/98/98/336339898.db2.gz ACQQCFOCNSWJTF-MRXNPFEDSA-N 1 0 322.456 4.173 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000301998741 336342374 /nfs/dbraw/zinc/34/23/74/336342374.db2.gz QVWBEQXQCCOIQE-HNNXBMFYSA-N 1 0 306.413 4.071 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302291399 336356856 /nfs/dbraw/zinc/35/68/56/336356856.db2.gz NKWRKYJSRMGGHN-UHFFFAOYSA-N 1 0 323.362 4.029 20 30 DIEDRO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000302836986 336371558 /nfs/dbraw/zinc/37/15/58/336371558.db2.gz XAWMMTGKUMXJFF-MSOLQXFVSA-N 1 0 311.816 4.069 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000514139033 336374863 /nfs/dbraw/zinc/37/48/63/336374863.db2.gz WCKFNBOHQSNWES-UGSOOPFHSA-N 1 0 314.816 4.250 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000352928135 336377760 /nfs/dbraw/zinc/37/77/60/336377760.db2.gz BYFFFNPRONIFKT-UHFFFAOYSA-N 1 0 315.461 4.079 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000314772151 336385797 /nfs/dbraw/zinc/38/57/97/336385797.db2.gz WWHMZHYRMDUDPV-MRXNPFEDSA-N 1 0 304.315 4.342 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)ccc1C#N ZINC000514636942 336387156 /nfs/dbraw/zinc/38/71/56/336387156.db2.gz FIGYEYBBOWPWQD-RBUKOAKNSA-N 1 0 324.399 4.132 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)C1 ZINC000193093647 336396991 /nfs/dbraw/zinc/39/69/91/336396991.db2.gz OUGAYEQYTZOWFA-WFASDCNBSA-N 1 0 319.246 4.110 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1O ZINC000353261754 336408781 /nfs/dbraw/zinc/40/87/81/336408781.db2.gz UVNDSAAOJIKTTA-WMLDXEAASA-N 1 0 310.397 4.096 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)ccc1C#N ZINC000353626855 336429902 /nfs/dbraw/zinc/42/99/02/336429902.db2.gz UYDVDRDNPDQMMZ-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000353660785 336432684 /nfs/dbraw/zinc/43/26/84/336432684.db2.gz OJFFUYANCUQKLL-LJQANCHMSA-N 1 0 306.409 4.364 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOc3c(F)cccc31)CC2 ZINC000353662520 336432712 /nfs/dbraw/zinc/43/27/12/336432712.db2.gz SHCUGOFNEFEYOR-OALUTQOASA-N 1 0 322.383 4.188 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000353881261 336445743 /nfs/dbraw/zinc/44/57/43/336445743.db2.gz LCPREFYBQBEFDX-OAQYLSRUSA-N 1 0 318.420 4.290 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCCC1CCOCC1)c1ccccc1 ZINC000353902408 336446990 /nfs/dbraw/zinc/44/69/90/336446990.db2.gz TYAFXDPIZQXKRR-IBGZPJMESA-N 1 0 300.446 4.218 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000353904488 336447199 /nfs/dbraw/zinc/44/71/99/336447199.db2.gz ACSNFWUXDYAWMH-FQEVSTJZSA-N 1 0 308.425 4.288 20 30 DIEDRO C[C@H](C[NH2+][C@H](CCCC#N)c1ccccc1)CC1CCOCC1 ZINC000353913074 336447596 /nfs/dbraw/zinc/44/75/96/336447596.db2.gz HCFSPCAPPIFAHB-FXAWDEMLSA-N 1 0 314.473 4.464 20 30 DIEDRO Cc1ccc(CCC[NH2+][C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353918413 336448167 /nfs/dbraw/zinc/44/81/67/336448167.db2.gz YDQLLZLFEYUURH-FQEVSTJZSA-N 1 0 307.441 4.347 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000355148914 336496359 /nfs/dbraw/zinc/49/63/59/336496359.db2.gz JJRLRFLOVPHHQI-UHFFFAOYSA-N 1 0 304.384 4.025 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)cc1 ZINC000367200724 336507130 /nfs/dbraw/zinc/50/71/30/336507130.db2.gz PVJQZLQAUDSUNK-XIRDDKMYSA-N 1 0 324.399 4.152 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000356867408 336563911 /nfs/dbraw/zinc/56/39/11/336563911.db2.gz JZHGXAACVXZMGP-UHFFFAOYSA-N 1 0 324.399 4.287 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)C(C)(C)C ZINC000357319841 336580493 /nfs/dbraw/zinc/58/04/93/336580493.db2.gz XCXOKFYVEFRVSW-GOSISDBHSA-N 1 0 318.461 4.292 20 30 DIEDRO C=CCCOCC[NH2+][C@H](CC)c1ccccc1Br ZINC000358352385 336625669 /nfs/dbraw/zinc/62/56/69/336625669.db2.gz IMCQJYYSVSEBLM-OAHLLOKOSA-N 1 0 312.251 4.083 20 30 DIEDRO Cc1csc(CCCC[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358559865 336634580 /nfs/dbraw/zinc/63/45/80/336634580.db2.gz DQFAOAUWYWBLHQ-ZDUSSCGKSA-N 1 0 317.433 4.136 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(C#N)c(F)c1 ZINC000359024197 336654006 /nfs/dbraw/zinc/65/40/06/336654006.db2.gz AVZOBLFUHGQKSS-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360656176 336717607 /nfs/dbraw/zinc/71/76/07/336717607.db2.gz GMCBHWROYHNRGW-DJJJIMSYSA-N 1 0 323.440 4.324 20 30 DIEDRO COC1CCC(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360664296 336718140 /nfs/dbraw/zinc/71/81/40/336718140.db2.gz ORGUDWLECSIPKL-PKUWUEBNSA-N 1 0 312.457 4.121 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCC(F)(F)CC1 ZINC000360663236 336718193 /nfs/dbraw/zinc/71/81/93/336718193.db2.gz JNAXDIWNEDEVNO-KRWDZBQOSA-N 1 0 304.384 4.493 20 30 DIEDRO C[C@]1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCO[C@@H]1C1CC1 ZINC000360870288 336724955 /nfs/dbraw/zinc/72/49/55/336724955.db2.gz GKOMRXIXLMKEJL-NJDAHSKKSA-N 1 0 324.468 4.121 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccco1 ZINC000367620808 336826780 /nfs/dbraw/zinc/82/67/80/336826780.db2.gz RKFGUQKRIJDDJZ-KRWDZBQOSA-N 1 0 307.397 4.262 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)o1 ZINC000367681794 336827907 /nfs/dbraw/zinc/82/79/07/336827907.db2.gz FCZMWKXUSJJQAE-SFHVURJKSA-N 1 0 316.351 4.213 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000367897951 336831910 /nfs/dbraw/zinc/83/19/10/336831910.db2.gz WQNLALVLDJBPMX-HXUWFJFHSA-N 1 0 314.473 4.206 20 30 DIEDRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC1(C#N)CCC1 ZINC000418142684 336896618 /nfs/dbraw/zinc/89/66/18/336896618.db2.gz NLAXYJXKJUPLPR-UKTHLTGXSA-N 1 0 308.347 4.392 20 30 DIEDRO CC(C)n1ncc2c1[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000372084023 336921625 /nfs/dbraw/zinc/92/16/25/336921625.db2.gz QADRZZIONXVXMJ-KDOFPFPSSA-N 1 0 308.429 4.064 20 30 DIEDRO CC(C)n1ncc2c1[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000372084022 336921697 /nfs/dbraw/zinc/92/16/97/336921697.db2.gz QADRZZIONXVXMJ-KBXCAEBGSA-N 1 0 308.429 4.064 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000373021550 336946037 /nfs/dbraw/zinc/94/60/37/336946037.db2.gz OFGSRMUSXDBZED-UXHICEINSA-N 1 0 319.452 4.120 20 30 DIEDRO C[C@@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1cccc(C#N)c1 ZINC000373228982 336954026 /nfs/dbraw/zinc/95/40/26/336954026.db2.gz LNNJJABNQQNOJU-OAHLLOKOSA-N 1 0 323.415 4.017 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374469763 336989904 /nfs/dbraw/zinc/98/99/04/336989904.db2.gz HNUFWWKFJKGWOU-CTNGQTDRSA-N 1 0 323.436 4.119 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374469767 336989950 /nfs/dbraw/zinc/98/99/50/336989950.db2.gz HNUFWWKFJKGWOU-PZJWPPBQSA-N 1 0 323.436 4.119 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccco1 ZINC000375842901 337021000 /nfs/dbraw/zinc/02/10/00/337021000.db2.gz XANBAVRCJWVMNW-ZWKOTPCHSA-N 1 0 324.424 4.374 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccco1 ZINC000375896986 337022640 /nfs/dbraw/zinc/02/26/40/337022640.db2.gz BZPAXYUYOYJNEC-SJORKVTESA-N 1 0 313.397 4.409 20 30 DIEDRO Cc1cccc([C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376734972 337040063 /nfs/dbraw/zinc/04/00/63/337040063.db2.gz CZSNKWOJUHQZCR-QGZVFWFLSA-N 1 0 305.425 4.008 20 30 DIEDRO CN1CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377668125 337058000 /nfs/dbraw/zinc/05/80/00/337058000.db2.gz KQQACWNSYOCNLW-IRXDYDNUSA-N 1 0 319.880 4.005 20 30 DIEDRO C[C@@H]([NH2+]CCSc1ccccc1)c1ccc(OCC#N)cc1 ZINC000193658054 337078834 /nfs/dbraw/zinc/07/88/34/337078834.db2.gz XZGHCJALHRQDIM-OAHLLOKOSA-N 1 0 312.438 4.032 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000582586484 337110012 /nfs/dbraw/zinc/11/00/12/337110012.db2.gz MMLXNFUINYCBOH-ZDUSSCGKSA-N 1 0 306.406 4.246 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCc3ccc(F)cc3Cl)CC2)c1 ZINC000582698164 337121687 /nfs/dbraw/zinc/12/16/87/337121687.db2.gz WHUVDSRBECCVOW-UHFFFAOYSA-N 1 0 314.791 4.172 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000582693521 337123329 /nfs/dbraw/zinc/12/33/29/337123329.db2.gz SMLXIJNNIKPCTA-QGZVFWFLSA-N 1 0 300.427 4.211 20 30 DIEDRO CC(C)(CCC#N)CNc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000532897812 337132188 /nfs/dbraw/zinc/13/21/88/337132188.db2.gz RPRPEWCMVWXUAD-UHFFFAOYSA-N 1 0 313.489 4.457 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173398253 337135653 /nfs/dbraw/zinc/13/56/53/337135653.db2.gz UFIJWYITYODCBR-CYBMUJFWSA-N 1 0 312.379 4.006 20 30 DIEDRO CCC(CC)CN(CCC#N)Cc1nccn1Cc1ccccc1 ZINC000173555283 337136432 /nfs/dbraw/zinc/13/64/32/337136432.db2.gz JWYABUAEVYUBNR-UHFFFAOYSA-N 1 0 324.472 4.083 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000174864446 337145084 /nfs/dbraw/zinc/14/50/84/337145084.db2.gz JCNMEUFVQCMYKB-UHFFFAOYSA-N 1 0 310.445 4.072 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cccc(C#N)c1 ZINC000177391304 337155704 /nfs/dbraw/zinc/15/57/04/337155704.db2.gz LCLPZTZFLBWZDC-CVEARBPZSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177481880 337156145 /nfs/dbraw/zinc/15/61/45/337156145.db2.gz LVVLUIUNICJNKW-INIZCTEOSA-N 1 0 312.457 4.290 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000177908256 337158968 /nfs/dbraw/zinc/15/89/68/337158968.db2.gz WPHTWUSTYSQVNI-INIZCTEOSA-N 1 0 322.905 4.117 20 30 DIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCO2 ZINC000178177021 337161182 /nfs/dbraw/zinc/16/11/82/337161182.db2.gz QKQCPPVUTUGFCV-LIRRHRJNSA-N 1 0 322.408 4.131 20 30 DIEDRO COc1ccc(C[N@H+](CC(C)C)C(C)C)cc1OCCCC#N ZINC000179703580 337169144 /nfs/dbraw/zinc/16/91/44/337169144.db2.gz INDCVZAGJZFBSH-UHFFFAOYSA-N 1 0 318.461 4.244 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1cccc(C#N)c1 ZINC000181587035 337183088 /nfs/dbraw/zinc/18/30/88/337183088.db2.gz KFZHYLSCQZXVJU-IIBYNOLFSA-N 1 0 313.404 4.393 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000583025870 337228335 /nfs/dbraw/zinc/22/83/35/337228335.db2.gz BSZBGSMQPZLQAU-UHFFFAOYSA-N 1 0 317.483 4.387 20 30 DIEDRO C=CCC1(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)CCC1 ZINC000189013894 337276570 /nfs/dbraw/zinc/27/65/70/337276570.db2.gz HXMWZZMQUXASKY-OAHLLOKOSA-N 1 0 323.440 4.104 20 30 DIEDRO C=CCC1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCC1 ZINC000189938073 337283923 /nfs/dbraw/zinc/28/39/23/337283923.db2.gz XGANSWYCZLYPCA-UHFFFAOYSA-N 1 0 312.457 4.010 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000191614583 337297816 /nfs/dbraw/zinc/29/78/16/337297816.db2.gz XRFRWGYSDYNAEK-UHFFFAOYSA-N 1 0 321.262 4.137 20 30 DIEDRO C[C@@H]1C[C@@]1([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000503381064 337298351 /nfs/dbraw/zinc/29/83/51/337298351.db2.gz ZLPATRIVZPNHGN-KUHUBIRLSA-N 1 0 310.828 4.431 20 30 DIEDRO C[C@H]1C[C@@]1([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000503381065 337298448 /nfs/dbraw/zinc/29/84/48/337298448.db2.gz ZLPATRIVZPNHGN-LIRRHRJNSA-N 1 0 310.828 4.431 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000191582030 337299112 /nfs/dbraw/zinc/29/91/12/337299112.db2.gz MQUZFOIDLXASJL-ZDUSSCGKSA-N 1 0 304.438 4.098 20 30 DIEDRO N#CCCC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000399306546 337315035 /nfs/dbraw/zinc/31/50/35/337315035.db2.gz CLZYDEWWOIOQCI-UHFFFAOYSA-N 1 0 312.335 4.101 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)Sc1ccccc1 ZINC000583722982 337318221 /nfs/dbraw/zinc/31/82/21/337318221.db2.gz WQSCGTUYMKIUKH-LIRRHRJNSA-N 1 0 308.450 4.316 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(F)cc1Cl)CC2 ZINC000583760547 337330823 /nfs/dbraw/zinc/33/08/23/337330823.db2.gz WVYOFPRBQKSKHG-GOSISDBHSA-N 1 0 314.791 4.170 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)ccc1C#N ZINC000583782483 337332571 /nfs/dbraw/zinc/33/25/71/337332571.db2.gz NHPVDTPANIXOHX-AWEZNQCLSA-N 1 0 312.388 4.174 20 30 DIEDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000583839259 337340703 /nfs/dbraw/zinc/34/07/03/337340703.db2.gz ASWYLNMJXLDQAC-HXUWFJFHSA-N 1 0 323.440 4.347 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C(C)C ZINC000532926434 337393012 /nfs/dbraw/zinc/39/30/12/337393012.db2.gz BEVXRXFGPUTRQW-INIZCTEOSA-N 1 0 318.486 4.024 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCCOC2CCCCC2)cc1F ZINC000421323633 337526372 /nfs/dbraw/zinc/52/63/72/337526372.db2.gz ISDVWWIUGHNFFH-UHFFFAOYSA-N 1 0 318.436 4.307 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000248915437 337568550 /nfs/dbraw/zinc/56/85/50/337568550.db2.gz WAXULRVSLVJHEH-MRRJBJDNSA-N 1 0 320.383 4.337 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC ZINC000571706940 337572406 /nfs/dbraw/zinc/57/24/06/337572406.db2.gz NPTMSSLLELKJGK-HNNXBMFYSA-N 1 0 302.462 4.158 20 30 DIEDRO COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000571919690 337581753 /nfs/dbraw/zinc/58/17/53/337581753.db2.gz ZGJOQBXWHQMTQI-ZDUSSCGKSA-N 1 0 314.816 4.265 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000320264766 337594154 /nfs/dbraw/zinc/59/41/54/337594154.db2.gz KNANYTQXIXXDPA-RKDXNWHRSA-N 1 0 308.636 4.234 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1sc(CCOC)nc1C)c1ccccc1 ZINC000271287935 337643812 /nfs/dbraw/zinc/64/38/12/337643812.db2.gz DMFJUVBFLKXWCN-CQSZACIVSA-N 1 0 316.470 4.004 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)C1CC1 ZINC000271450633 337644387 /nfs/dbraw/zinc/64/43/87/337644387.db2.gz FRZSCVWBCSMCDJ-INIZCTEOSA-N 1 0 313.470 4.082 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(OCCOC)cc1)c1ccccc1 ZINC000271557470 337644891 /nfs/dbraw/zinc/64/48/91/337644891.db2.gz SZXCSYYTYHBSLC-UWJYYQICSA-N 1 0 323.436 4.127 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000271524776 337644932 /nfs/dbraw/zinc/64/49/32/337644932.db2.gz OVYTXXVZWVSWPU-FOIQADDNSA-N 1 0 306.409 4.060 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)s1 ZINC000421871761 337657362 /nfs/dbraw/zinc/65/73/62/337657362.db2.gz GECCYSIYBLQCGN-MRXNPFEDSA-N 1 0 302.830 4.440 20 30 DIEDRO C[C@@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@H]1CCC[NH2+]1 ZINC000423028887 337696222 /nfs/dbraw/zinc/69/62/22/337696222.db2.gz HFUUFXLHRYXOHW-GCKMJXCFSA-N 1 0 319.452 4.016 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1F ZINC000423338959 337712870 /nfs/dbraw/zinc/71/28/70/337712870.db2.gz BDJSWVLLBDBEKJ-CWTRNNRKSA-N 1 0 309.388 4.008 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1 ZINC000423428212 337717064 /nfs/dbraw/zinc/71/70/64/337717064.db2.gz GFSHXIGRIJYOOO-ACJLOTCBSA-N 1 0 321.424 4.093 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)C1CC1 ZINC000423450857 337719997 /nfs/dbraw/zinc/71/99/97/337719997.db2.gz XPQNPZZDAWHKMY-IRXDYDNUSA-N 1 0 300.446 4.205 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)C1CC1 ZINC000423450855 337720070 /nfs/dbraw/zinc/72/00/70/337720070.db2.gz XPQNPZZDAWHKMY-IAGOWNOFSA-N 1 0 300.446 4.205 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000536871482 337752992 /nfs/dbraw/zinc/75/29/92/337752992.db2.gz QHXLQCMHYIMSDY-IBGZPJMESA-N 1 0 314.473 4.034 20 30 DIEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000527813830 337765687 /nfs/dbraw/zinc/76/56/87/337765687.db2.gz XQGOCYXKQYPBPL-QFBILLFUSA-N 1 0 324.468 4.146 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)CC2 ZINC000527962517 337780373 /nfs/dbraw/zinc/78/03/73/337780373.db2.gz FYHOFPTWDVMDAF-AZUAARDMSA-N 1 0 303.409 4.072 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000424171364 337791670 /nfs/dbraw/zinc/79/16/70/337791670.db2.gz KNJPUCCYIZETBP-ICSRJNTNSA-N 1 0 323.436 4.043 20 30 DIEDRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424208339 337809788 /nfs/dbraw/zinc/80/97/88/337809788.db2.gz ZDUZGXJEVCRRRO-CUOOIUKUSA-N 1 0 308.347 4.391 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000424293405 337816536 /nfs/dbraw/zinc/81/65/36/337816536.db2.gz IPUHXPPRHNLWRC-LKTVYLICSA-N 1 0 312.240 4.161 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000424300674 337817438 /nfs/dbraw/zinc/81/74/38/337817438.db2.gz YLRXFYXRRNXLDU-YYWHXJBOSA-N 1 0 321.464 4.388 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424327975 337821675 /nfs/dbraw/zinc/82/16/75/337821675.db2.gz NLDGGKWOBLXRHP-IVMMDQJWSA-N 1 0 311.454 4.461 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCOc2ccc3ccccc3c2)c(F)c1 ZINC000533311623 337840722 /nfs/dbraw/zinc/84/07/22/337840722.db2.gz HNMIXDGPQIIXAQ-UHFFFAOYSA-N 1 0 320.367 4.019 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000533368040 337843523 /nfs/dbraw/zinc/84/35/23/337843523.db2.gz JQTBWNOEJDLVJN-IBGZPJMESA-N 1 0 312.363 4.467 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000116926429 337844754 /nfs/dbraw/zinc/84/47/54/337844754.db2.gz VQAFFZZTJRKVFC-LBPRGKRZSA-N 1 0 322.861 4.430 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000536985305 337860880 /nfs/dbraw/zinc/86/08/80/337860880.db2.gz VHLPCIIZNRUAEK-CKEIUWERSA-N 1 0 317.864 4.053 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000536999340 337862727 /nfs/dbraw/zinc/86/27/27/337862727.db2.gz JKSSXKWVDWMSSZ-LJQANCHMSA-N 1 0 318.892 4.421 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)C1CC1 ZINC000119987147 337868728 /nfs/dbraw/zinc/86/87/28/337868728.db2.gz HFYJFTWQORFPHA-LJQANCHMSA-N 1 0 312.457 4.260 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(C(=O)N[C@H](C)CC)c1)C1CC1 ZINC000120250883 337872540 /nfs/dbraw/zinc/87/25/40/337872540.db2.gz IADJFXZFZYQMAU-BEFAXECRSA-N 1 0 314.473 4.049 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCOc2cccc(C#N)c2)cc1 ZINC000537063331 337885477 /nfs/dbraw/zinc/88/54/77/337885477.db2.gz WJHWZVNQFOIFJU-INIZCTEOSA-N 1 0 324.424 4.075 20 30 DIEDRO Cc1ccc(C(=O)C2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000092187544 337901304 /nfs/dbraw/zinc/90/13/04/337901304.db2.gz GLZTVZAITXSSJI-UHFFFAOYSA-N 1 0 312.457 4.220 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1 ZINC000092454032 337904378 /nfs/dbraw/zinc/90/43/78/337904378.db2.gz ADNFQEZUBNIGBW-UHFFFAOYSA-N 1 0 303.446 4.031 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCc1ccc(Cl)s1 ZINC000061115644 337925544 /nfs/dbraw/zinc/92/55/44/337925544.db2.gz NNKRYHVCNVCXMO-UHFFFAOYSA-N 1 0 307.846 4.299 20 30 DIEDRO CCO[C@@H](CC[NH2+][C@H](C)c1ccc(C#N)cc1)C1CCCC1 ZINC000537294968 337928948 /nfs/dbraw/zinc/92/89/48/337928948.db2.gz IFXOQTQVSIFUKG-BEFAXECRSA-N 1 0 300.446 4.194 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000537869393 337963920 /nfs/dbraw/zinc/96/39/20/337963920.db2.gz PLOJPYXXZOLIMH-CTNGQTDRSA-N 1 0 323.436 4.119 20 30 DIEDRO CC[N@H+](CCOc1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000516197580 338007160 /nfs/dbraw/zinc/00/71/60/338007160.db2.gz ITTABEVWLUXSMJ-OAHLLOKOSA-N 1 0 312.388 4.159 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)Cc1cnc(-c2ccco2)s1 ZINC000426164657 338021852 /nfs/dbraw/zinc/02/18/52/338021852.db2.gz ZHGMDICRZLSBMV-UHFFFAOYSA-N 1 0 314.410 4.227 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccco1 ZINC000426311437 338026168 /nfs/dbraw/zinc/02/61/68/338026168.db2.gz NSOXZFXXNLWTBF-WBVHZDCISA-N 1 0 314.404 4.295 20 30 DIEDRO C[C@H](NCc1cccc(F)c1C#N)c1cccc(OC(F)F)c1 ZINC000428333768 338047646 /nfs/dbraw/zinc/04/76/46/338047646.db2.gz VRPJYSNSWIFULN-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO N#Cc1c(F)cccc1CNC1(c2ccc(F)cc2)CCCC1 ZINC000428366402 338048988 /nfs/dbraw/zinc/04/89/88/338048988.db2.gz GMYWPKHTOVDYPN-UHFFFAOYSA-N 1 0 312.363 4.396 20 30 DIEDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000429256068 338074966 /nfs/dbraw/zinc/07/49/66/338074966.db2.gz OWXHCYZGVWSMIS-INIZCTEOSA-N 1 0 317.452 4.056 20 30 DIEDRO CSC[C@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000429291620 338076876 /nfs/dbraw/zinc/07/68/76/338076876.db2.gz GZZGMRZMCDTUBT-HNNXBMFYSA-N 1 0 302.487 4.063 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000429454999 338081657 /nfs/dbraw/zinc/08/16/57/338081657.db2.gz QTNRVERXIWXHLU-ROUUACIJSA-N 1 0 313.445 4.386 20 30 DIEDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000429628172 338086406 /nfs/dbraw/zinc/08/64/06/338086406.db2.gz RVHYIIOKOWUNFO-KXBFYZLASA-N 1 0 310.828 4.170 20 30 DIEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Br)cc1 ZINC000429800668 338090181 /nfs/dbraw/zinc/09/01/81/338090181.db2.gz SGUKRJDANDDIGB-CQSZACIVSA-N 1 0 307.235 4.184 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430742385 338113049 /nfs/dbraw/zinc/11/30/49/338113049.db2.gz WRTLJCDFYMTBQM-RHSMWYFYSA-N 1 0 304.384 4.351 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430742384 338113056 /nfs/dbraw/zinc/11/30/56/338113056.db2.gz WRTLJCDFYMTBQM-PBHICJAKSA-N 1 0 304.384 4.351 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430742387 338113100 /nfs/dbraw/zinc/11/31/00/338113100.db2.gz WRTLJCDFYMTBQM-YOEHRIQHSA-N 1 0 304.384 4.351 20 30 DIEDRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1(CC#N)CC1 ZINC000430747396 338113356 /nfs/dbraw/zinc/11/33/56/338113356.db2.gz LNVQPNUJSXLQIC-CYBMUJFWSA-N 1 0 310.363 4.310 20 30 DIEDRO N#CCC1(C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000430751162 338113682 /nfs/dbraw/zinc/11/36/82/338113682.db2.gz SUOUXQHURNKQMU-OAHLLOKOSA-N 1 0 319.246 4.110 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)C(c1ccccc1)c1ccccc1 ZINC000430759147 338113932 /nfs/dbraw/zinc/11/39/32/338113932.db2.gz FEXRXQBVVVPVMW-KRWDZBQOSA-N 1 0 304.437 4.490 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000432840130 338170354 /nfs/dbraw/zinc/17/03/54/338170354.db2.gz KTNGBRQEJGRKBJ-CVEARBPZSA-N 1 0 315.379 4.319 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCN1CCc2ccccc21)c1ccccc1 ZINC000433027626 338177225 /nfs/dbraw/zinc/17/72/25/338177225.db2.gz LYJQBFJEJXSCFP-FQEVSTJZSA-N 1 0 319.452 4.074 20 30 DIEDRO CN(CC[NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433034280 338177521 /nfs/dbraw/zinc/17/75/21/338177521.db2.gz HWLSMUVMCUTZBP-HXUWFJFHSA-N 1 0 307.441 4.148 20 30 DIEDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000433242630 338187518 /nfs/dbraw/zinc/18/75/18/338187518.db2.gz BIHKGUUVAAGGII-LBPRGKRZSA-N 1 0 319.246 4.085 20 30 DIEDRO N#CCc1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434502352 338218803 /nfs/dbraw/zinc/21/88/03/338218803.db2.gz ZQYZTZUQUYQEGZ-UHFFFAOYSA-N 1 0 308.400 4.213 20 30 DIEDRO N#Cc1ccc(F)c(CN2CCC(F)(c3ccccc3)CC2)c1 ZINC000434504594 338218863 /nfs/dbraw/zinc/21/88/63/338218863.db2.gz VESOTZLENZHCBT-UHFFFAOYSA-N 1 0 312.363 4.158 20 30 DIEDRO CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000435126621 338232702 /nfs/dbraw/zinc/23/27/02/338232702.db2.gz OTGXCJJOYYCBLI-CQSZACIVSA-N 1 0 320.396 4.124 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1Br ZINC000435672065 338244799 /nfs/dbraw/zinc/24/47/99/338244799.db2.gz HFQDLAISQUBUSV-XEZPLFJOSA-N 1 0 324.262 4.081 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc(C#N)cc1 ZINC000435672506 338244864 /nfs/dbraw/zinc/24/48/64/338244864.db2.gz PYNNRZMQROKHMY-UVIMBBFXSA-N 1 0 312.363 4.433 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000435733948 338246864 /nfs/dbraw/zinc/24/68/64/338246864.db2.gz VUGMCPQSBOWYEQ-DNVCBOLYSA-N 1 0 313.397 4.143 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000435735449 338246959 /nfs/dbraw/zinc/24/69/59/338246959.db2.gz MYLFWGVMFKPSTP-XHDPSFHLSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000435736489 338247005 /nfs/dbraw/zinc/24/70/05/338247005.db2.gz AQWLKCVTAUDICX-ICSRJNTNSA-N 1 0 317.473 4.182 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000435738266 338247059 /nfs/dbraw/zinc/24/70/59/338247059.db2.gz QERHRTBCLFLLMY-BLLLJJGKSA-N 1 0 305.805 4.157 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000435737304 338247084 /nfs/dbraw/zinc/24/70/84/338247084.db2.gz GVZHTMDGQFBCMO-IUODEOHRSA-N 1 0 300.229 4.064 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)ccc1C#N ZINC000435740075 338247344 /nfs/dbraw/zinc/24/73/44/338247344.db2.gz ISGBHSUXHMQOAY-RUCARUNLSA-N 1 0 312.363 4.181 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000435743492 338247416 /nfs/dbraw/zinc/24/74/16/338247416.db2.gz AFZWGHRUGGEWDV-FXAWDEMLSA-N 1 0 315.457 4.079 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000436285979 338266109 /nfs/dbraw/zinc/26/61/09/338266109.db2.gz PXMZLBSVOCXIPM-SZMVWBNQSA-N 1 0 305.849 4.362 20 30 DIEDRO C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291074 338266639 /nfs/dbraw/zinc/26/66/39/338266639.db2.gz KPHDBFQKXCKRTF-UZLBHIALSA-N 1 0 311.473 4.006 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1cc(Cl)ccc1OC ZINC000436294791 338266992 /nfs/dbraw/zinc/26/69/92/338266992.db2.gz HDMFMKBWXHKGMU-SKDZVZGDSA-N 1 0 323.864 4.371 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000436302106 338267628 /nfs/dbraw/zinc/26/76/28/338267628.db2.gz QZRDHTPEZOAJQL-IEZWGBDMSA-N 1 0 303.446 4.106 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000436302911 338267710 /nfs/dbraw/zinc/26/77/10/338267710.db2.gz ASEZOUBYTQKCOO-QVKFZJNVSA-N 1 0 305.421 4.327 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000436304275 338267813 /nfs/dbraw/zinc/26/78/13/338267813.db2.gz DDWPJEDUOMWOQW-INWMFGNUSA-N 1 0 313.363 4.337 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1SCC ZINC000436305439 338267978 /nfs/dbraw/zinc/26/79/78/338267978.db2.gz GJPFJVBKYQHEOY-VKJFTORMSA-N 1 0 305.487 4.430 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000436309834 338268348 /nfs/dbraw/zinc/26/83/48/338268348.db2.gz QASCHMGWWKLQFB-SUMDDJOVSA-N 1 0 317.473 4.496 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000436309836 338268465 /nfs/dbraw/zinc/26/84/65/338268465.db2.gz QASCHMGWWKLQFB-WDYCEAGBSA-N 1 0 317.473 4.496 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000436311875 338268474 /nfs/dbraw/zinc/26/84/74/338268474.db2.gz YEKYLJFHSRILRX-QGTPRVQTSA-N 1 0 309.400 4.233 20 30 DIEDRO C=CCCOCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436412373 338271542 /nfs/dbraw/zinc/27/15/42/338271542.db2.gz FTRVBCITTDKZOH-UHFFFAOYSA-N 1 0 307.743 4.041 20 30 DIEDRO CC(C)CC[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437109591 338301485 /nfs/dbraw/zinc/30/14/85/338301485.db2.gz IYWSAAYPMANSFJ-ZLPCBKJTSA-N 1 0 315.461 4.058 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000437359598 338307866 /nfs/dbraw/zinc/30/78/66/338307866.db2.gz OTFJZIISTDGRAW-UHFFFAOYSA-N 1 0 316.351 4.185 20 30 DIEDRO Cc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437421466 338309632 /nfs/dbraw/zinc/30/96/32/338309632.db2.gz VTTBYJTXDNIOAU-UHFFFAOYSA-N 1 0 316.351 4.100 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437428439 338309805 /nfs/dbraw/zinc/30/98/05/338309805.db2.gz SEMWGKBBXWDQMF-ZDUSSCGKSA-N 1 0 316.351 4.353 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000438112269 338332529 /nfs/dbraw/zinc/33/25/29/338332529.db2.gz FBVLXCGBGNMPAH-QGZVFWFLSA-N 1 0 310.397 4.277 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cccc(CSC)c1 ZINC000438368501 338341752 /nfs/dbraw/zinc/34/17/52/338341752.db2.gz BSJSTCWPMKPJIE-UHFFFAOYSA-N 1 0 313.466 4.404 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1 ZINC000438483747 338345624 /nfs/dbraw/zinc/34/56/24/338345624.db2.gz FLGYXJFJIYDXAZ-HNNXBMFYSA-N 1 0 301.352 4.318 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)C1CC1 ZINC000438986419 338357835 /nfs/dbraw/zinc/35/78/35/338357835.db2.gz QKZAGBQMDZWTPY-OAHLLOKOSA-N 1 0 304.503 4.289 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)C1CC1 ZINC000439084807 338360568 /nfs/dbraw/zinc/36/05/68/338360568.db2.gz MBIKCIAILLFOPU-OAQYLSRUSA-N 1 0 323.484 4.383 20 30 DIEDRO COc1ccc([C@@H](C)NCc2ccc(C#N)cc2Cl)cc1F ZINC000439445861 338369640 /nfs/dbraw/zinc/36/96/40/338369640.db2.gz YNLDJLJIALTUKP-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCCO1 ZINC000439465557 338370365 /nfs/dbraw/zinc/37/03/65/338370365.db2.gz FOCHPTABFQSRHN-FQEVSTJZSA-N 1 0 320.436 4.226 20 30 DIEDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCCO1 ZINC000439465561 338370452 /nfs/dbraw/zinc/37/04/52/338370452.db2.gz FOCHPTABFQSRHN-HXUWFJFHSA-N 1 0 320.436 4.226 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)ccc1C#N ZINC000440613346 338392385 /nfs/dbraw/zinc/39/23/85/338392385.db2.gz NVLMCTWOOAPPRY-LBPRGKRZSA-N 1 0 323.421 4.027 20 30 DIEDRO CSc1ccccc1[C@H](C)[NH2+]CCOc1ccccc1C#N ZINC000440630839 338393223 /nfs/dbraw/zinc/39/32/23/338393223.db2.gz SPHLGHWNYJQNTF-AWEZNQCLSA-N 1 0 312.438 4.010 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)ccc1C#N ZINC000440804072 338397929 /nfs/dbraw/zinc/39/79/29/338397929.db2.gz DDJTTXLSEBVXOF-KRWDZBQOSA-N 1 0 324.424 4.272 20 30 DIEDRO COc1cc(C[NH2+]C2(c3cccc(C)c3)CCCC2)ccc1C#N ZINC000440807854 338398015 /nfs/dbraw/zinc/39/80/15/338398015.db2.gz PDKAWGNKJRWEDG-UHFFFAOYSA-N 1 0 320.436 4.434 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442712943 338428655 /nfs/dbraw/zinc/42/86/55/338428655.db2.gz HWKPUJHPRSSCEL-BPQIPLTHSA-N 1 0 300.446 4.077 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000442722157 338429076 /nfs/dbraw/zinc/42/90/76/338429076.db2.gz UUBVTWQVOOXNQB-DOMZBBRYSA-N 1 0 321.262 4.009 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000442786043 338431254 /nfs/dbraw/zinc/43/12/54/338431254.db2.gz SOWJTGYJMYSIAN-PMACEKPBSA-N 1 0 320.436 4.090 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000442789067 338431613 /nfs/dbraw/zinc/43/16/13/338431613.db2.gz DFEOASHHTJJCGS-GIVPXCGWSA-N 1 0 304.437 4.295 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(C#N)cc1F ZINC000442806388 338432703 /nfs/dbraw/zinc/43/27/03/338432703.db2.gz BNUXDPSSLKBCGR-CYBMUJFWSA-N 1 0 307.372 4.072 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000442847728 338434357 /nfs/dbraw/zinc/43/43/57/338434357.db2.gz LTUCFGBIZQOHDR-UKRRQHHQSA-N 1 0 303.475 4.015 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000442854180 338434983 /nfs/dbraw/zinc/43/49/83/338434983.db2.gz AAVUGPRVBONYSQ-DOMZBBRYSA-N 1 0 319.246 4.110 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000442864251 338436023 /nfs/dbraw/zinc/43/60/23/338436023.db2.gz CCDVWSLYBGXLKG-MQBCKMQZSA-N 1 0 318.848 4.473 20 30 DIEDRO CC[C@H]([NH2+]CCCC#N)c1ccc(Br)cc1Cl ZINC000446884530 338539510 /nfs/dbraw/zinc/53/95/10/338539510.db2.gz PXPZMHOZQKFOLL-ZDUSSCGKSA-N 1 0 315.642 4.447 20 30 DIEDRO CC[C@H]([NH2+]CCO[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447543603 338555682 /nfs/dbraw/zinc/55/56/82/338555682.db2.gz SFMKXABMOQMLEQ-ZYSHUDEJSA-N 1 0 300.446 4.194 20 30 DIEDRO CC[C@@H]([NH2+]CCCOCCc1ccccc1)c1ccc(C#N)cc1 ZINC000447548347 338556226 /nfs/dbraw/zinc/55/62/26/338556226.db2.gz HAZMFUGEBYXISC-OAQYLSRUSA-N 1 0 322.452 4.248 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCCc3occc32)cc1 ZINC000447572746 338557910 /nfs/dbraw/zinc/55/79/10/338557910.db2.gz DMYCJUBMUVJMEO-INIZCTEOSA-N 1 0 319.326 4.317 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2OC)c1ccc(C#N)cc1 ZINC000447573139 338557922 /nfs/dbraw/zinc/55/79/22/338557922.db2.gz GCSXSJWVMQZVPK-RBUKOAKNSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)Cc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447586032 338559522 /nfs/dbraw/zinc/55/95/22/338559522.db2.gz MJRBPKDNWHELRO-QRWLVFNGSA-N 1 0 308.425 4.239 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000447589816 338559996 /nfs/dbraw/zinc/55/99/96/338559996.db2.gz ZBQPIYFJTNRDKP-ACRUOGEOSA-N 1 0 319.452 4.044 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 ZINC000449102618 338593741 /nfs/dbraw/zinc/59/37/41/338593741.db2.gz ZUOQTOIACMDRHM-QGLXBCBXSA-N 1 0 316.420 4.108 20 30 DIEDRO CC(C)COC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccco1 ZINC000449104794 338593950 /nfs/dbraw/zinc/59/39/50/338593950.db2.gz BKMZTBKJUFMTCI-PQUAAJSLSA-N 1 0 304.434 4.055 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449124074 338595210 /nfs/dbraw/zinc/59/52/10/338595210.db2.gz PLOAADGLXWLOOR-VQIMIIECSA-N 1 0 318.892 4.216 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449124071 338595241 /nfs/dbraw/zinc/59/52/41/338595241.db2.gz PLOAADGLXWLOOR-QFBILLFUSA-N 1 0 318.892 4.216 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccccc2)c2cccnc2)CC1 ZINC000449122417 338595280 /nfs/dbraw/zinc/59/52/80/338595280.db2.gz LHFYLYWFKKNLPU-IOJLRTSASA-N 1 0 305.425 4.233 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449159801 338597910 /nfs/dbraw/zinc/59/79/10/338597910.db2.gz IUTKEIILWCOSAX-LZEOREFUSA-N 1 0 320.864 4.478 20 30 DIEDRO CC[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1cccc(F)c1 ZINC000449170313 338599016 /nfs/dbraw/zinc/59/90/16/338599016.db2.gz IEILNATXXFFEJL-PQUAAJSLSA-N 1 0 304.409 4.045 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000449210315 338602613 /nfs/dbraw/zinc/60/26/13/338602613.db2.gz QBGPNPHWBAEFKL-ZWKOTPCHSA-N 1 0 315.505 4.332 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000449216795 338603138 /nfs/dbraw/zinc/60/31/38/338603138.db2.gz VFTMSXFIOGPFGR-VHBXLISGSA-N 1 0 312.457 4.216 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000449224107 338603882 /nfs/dbraw/zinc/60/38/82/338603882.db2.gz ZSXIRLAVYWMDDH-WBVHZDCISA-N 1 0 300.450 4.151 20 30 DIEDRO CSCC1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000449239833 338605665 /nfs/dbraw/zinc/60/56/65/338605665.db2.gz LHGMGVSBQRCOFE-OPFPJEHXSA-N 1 0 306.450 4.270 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000449310536 338611741 /nfs/dbraw/zinc/61/17/41/338611741.db2.gz HKJUNTGTHGGGNC-SJLPKXTDSA-N 1 0 315.461 4.017 20 30 DIEDRO CC(C)(C[NH2+]C1CCC(C)(C#N)CC1)Oc1cc(F)cc(F)c1 ZINC000449316328 338611993 /nfs/dbraw/zinc/61/19/93/338611993.db2.gz MOAHXJOIFNKGLJ-UHFFFAOYSA-N 1 0 322.399 4.184 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000449401718 338621121 /nfs/dbraw/zinc/62/11/21/338621121.db2.gz ILOMDFSGSBKFIA-UHFFFAOYSA-N 1 0 315.244 4.292 20 30 DIEDRO CC[C@@H](C)[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)OC ZINC000449403652 338621362 /nfs/dbraw/zinc/62/13/62/338621362.db2.gz QRECAXNQQNSPAH-IHJVYAAUSA-N 1 0 314.473 4.041 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000449485728 338629638 /nfs/dbraw/zinc/62/96/38/338629638.db2.gz OJWUSIJZIKMXCQ-UHFFFAOYSA-N 1 0 303.837 4.042 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000449485736 338629863 /nfs/dbraw/zinc/62/98/63/338629863.db2.gz OMPNAILNWAGGAF-ZDUSSCGKSA-N 1 0 308.853 4.167 20 30 DIEDRO COc1ccc(C[NH2+]C(C)(C)C2CCC2)cc1OCCCC#N ZINC000449518247 338633984 /nfs/dbraw/zinc/63/39/84/338633984.db2.gz IUWOQJATSKCRIH-UHFFFAOYSA-N 1 0 316.445 4.046 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449548556 338636653 /nfs/dbraw/zinc/63/66/53/338636653.db2.gz ONKRUJMXVFNUFJ-ITGHMWBKSA-N 1 0 311.878 4.217 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000449624628 338642385 /nfs/dbraw/zinc/64/23/85/338642385.db2.gz NODKXYISTOVEHT-GYMHETDLSA-N 1 0 304.459 4.030 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)o1 ZINC000449773437 338651691 /nfs/dbraw/zinc/65/16/91/338651691.db2.gz NDDSRNWQLJYPSJ-DZGCQCFKSA-N 1 0 300.789 4.231 20 30 DIEDRO Fc1ccc(C#CC[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000451292968 338728571 /nfs/dbraw/zinc/72/85/71/338728571.db2.gz CTMCZRZCKKDHAJ-HOCLYGCPSA-N 1 0 313.338 4.278 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1cccc(C#N)c1 ZINC000451867945 338746662 /nfs/dbraw/zinc/74/66/62/338746662.db2.gz LHUKEVVQHYFXTK-BEFAXECRSA-N 1 0 305.425 4.180 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453102094 338794126 /nfs/dbraw/zinc/79/41/26/338794126.db2.gz OTFSITRDSBZGJZ-PBHICJAKSA-N 1 0 304.503 4.317 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000453181197 338803577 /nfs/dbraw/zinc/80/35/77/338803577.db2.gz WEEKCHIIYJMQQF-PXNSSMCTSA-N 1 0 307.441 4.427 20 30 DIEDRO N#CCCC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000453189187 338804953 /nfs/dbraw/zinc/80/49/53/338804953.db2.gz CKPQCGDFFYCBGS-HNNXBMFYSA-N 1 0 307.235 4.110 20 30 DIEDRO CC(C)[C@@H](CSc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453287418 338818983 /nfs/dbraw/zinc/81/89/83/338818983.db2.gz FTLUEFZDRISQJD-XYJFISCASA-N 1 0 302.487 4.475 20 30 DIEDRO Cc1cc([C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2cccnc2)ccc1F ZINC000453296102 338820392 /nfs/dbraw/zinc/82/03/92/338820392.db2.gz TZEKXCCACSELFZ-ZAAXVRCTSA-N 1 0 323.415 4.291 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000453306904 338821716 /nfs/dbraw/zinc/82/17/16/338821716.db2.gz KFQVDNBGBKTTRU-IBGZPJMESA-N 1 0 310.441 4.176 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000453350672 338829449 /nfs/dbraw/zinc/82/94/49/338829449.db2.gz LWEQBQFTAKTQCY-LXZKKBNFSA-N 1 0 314.454 4.194 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000453358080 338830980 /nfs/dbraw/zinc/83/09/80/338830980.db2.gz JQHJXIQODAJZGK-NIKGAXFTSA-N 1 0 306.409 4.164 20 30 DIEDRO C=CCC1(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CCCC1 ZINC000453376311 338834258 /nfs/dbraw/zinc/83/42/58/338834258.db2.gz PQMLFFIJVPOLMZ-HXUWFJFHSA-N 1 0 321.468 4.487 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000453379537 338835003 /nfs/dbraw/zinc/83/50/03/338835003.db2.gz YTUXEHGOYAFEKT-GXTWGEPZSA-N 1 0 315.429 4.022 20 30 DIEDRO C=CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458256161 338993579 /nfs/dbraw/zinc/99/35/79/338993579.db2.gz CARFVGUCFHBWOJ-FQEVSTJZSA-N 1 0 322.452 4.355 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000467406080 339013783 /nfs/dbraw/zinc/01/37/83/339013783.db2.gz RXTIAKIAZNFGEW-XJKSGUPXSA-N 1 0 301.409 4.325 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000459697610 339043394 /nfs/dbraw/zinc/04/33/94/339043394.db2.gz IGSZBOWZDMLRHA-WLBPZHLASA-N 1 0 306.812 4.397 20 30 DIEDRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC(C)(C)CC#N ZINC000459725576 339044498 /nfs/dbraw/zinc/04/44/98/339044498.db2.gz DATIPHHAVZOWAV-JLHYYAGUSA-N 1 0 308.372 4.221 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000459725574 339044532 /nfs/dbraw/zinc/04/45/32/339044532.db2.gz DARASAPNYWAEBX-UHFFFAOYSA-N 1 0 304.743 4.388 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@H](C)c1nc2ccccc2s1 ZINC000459728855 339044685 /nfs/dbraw/zinc/04/46/85/339044685.db2.gz JHYCPUBJRSDTSC-STQMWFEESA-N 1 0 301.459 4.318 20 30 DIEDRO CC(C)(CC#N)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000459734326 339045061 /nfs/dbraw/zinc/04/50/61/339045061.db2.gz RRNPCDATENYZJT-UHFFFAOYSA-N 1 0 321.262 4.225 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000165293601 339052831 /nfs/dbraw/zinc/05/28/31/339052831.db2.gz QUTKAJMVZSNGBN-LLVKDONJSA-N 1 0 300.265 4.019 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](C)C2CCCCC2)cc(OC)c1O ZINC000462727769 339085055 /nfs/dbraw/zinc/08/50/55/339085055.db2.gz PQIUWRXFXYIJTQ-CQSZACIVSA-N 1 0 303.446 4.188 20 30 DIEDRO C=CCc1cc(C[NH2+]C2CCC(C)(C)CC2)cc(OC)c1O ZINC000462729979 339085200 /nfs/dbraw/zinc/08/52/00/339085200.db2.gz DNZHVDRJAJXAKW-UHFFFAOYSA-N 1 0 303.446 4.188 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000462750171 339086784 /nfs/dbraw/zinc/08/67/84/339086784.db2.gz XNAZSXHYEUUCKK-WEOZKBJRSA-N 1 0 312.457 4.417 20 30 DIEDRO C[C@@H](CNc1c(Cl)cccc1C#N)[N@H+](C)Cc1ccccc1 ZINC000462838206 339093643 /nfs/dbraw/zinc/09/36/43/339093643.db2.gz JIHUUHQFZVHYFS-AWEZNQCLSA-N 1 0 313.832 4.144 20 30 DIEDRO C=Cc1ccc(CC[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000462911379 339097636 /nfs/dbraw/zinc/09/76/36/339097636.db2.gz JPFNMHGWSMEDSE-UHFFFAOYSA-N 1 0 320.436 4.344 20 30 DIEDRO C[NH+](C)[C@@H](CNc1c(Cl)cccc1C#N)c1cccc(F)c1 ZINC000462917245 339097994 /nfs/dbraw/zinc/09/79/94/339097994.db2.gz PUKZPBHXVOCCBH-INIZCTEOSA-N 1 0 317.795 4.066 20 30 DIEDRO C[NH+](C)[C@H](CNc1c(Cl)cccc1C#N)c1cccc(F)c1 ZINC000462917246 339098051 /nfs/dbraw/zinc/09/80/51/339098051.db2.gz PUKZPBHXVOCCBH-MRXNPFEDSA-N 1 0 317.795 4.066 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000463111938 339106079 /nfs/dbraw/zinc/10/60/79/339106079.db2.gz HYRONRNOFZVAPD-MRXNPFEDSA-N 1 0 324.472 4.139 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000463264752 339112566 /nfs/dbraw/zinc/11/25/66/339112566.db2.gz GUETXAVIKAIROC-KRWDZBQOSA-N 1 0 318.480 4.167 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000463264753 339112573 /nfs/dbraw/zinc/11/25/73/339112573.db2.gz GUETXAVIKAIROC-QGZVFWFLSA-N 1 0 318.480 4.167 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000463276733 339112918 /nfs/dbraw/zinc/11/29/18/339112918.db2.gz ARTIUOWDVNCGLV-PXNSSMCTSA-N 1 0 304.437 4.490 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000463276724 339113018 /nfs/dbraw/zinc/11/30/18/339113018.db2.gz ARTIUOWDVNCGLV-FXAWDEMLSA-N 1 0 304.437 4.490 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1Cl ZINC000463286154 339113384 /nfs/dbraw/zinc/11/33/84/339113384.db2.gz AVMVCUSYUZUGRO-GXTWGEPZSA-N 1 0 308.828 4.429 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000463292609 339113884 /nfs/dbraw/zinc/11/38/84/339113884.db2.gz WPNWUDKJRQVLLF-VQTJNVASSA-N 1 0 320.436 4.438 20 30 DIEDRO CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463295957 339113977 /nfs/dbraw/zinc/11/39/77/339113977.db2.gz QPHUJVNPRFVGFB-FUHWJXTLSA-N 1 0 300.446 4.283 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000463300000 339114078 /nfs/dbraw/zinc/11/40/78/339114078.db2.gz KXIDHZGIGZCOCE-NZSAHSFTSA-N 1 0 314.473 4.467 20 30 DIEDRO CC[N@H+](CCCC1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000463303623 339114326 /nfs/dbraw/zinc/11/43/26/339114326.db2.gz TZAZAHZPHAWXCN-INIZCTEOSA-N 1 0 300.446 4.148 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000463572987 339121826 /nfs/dbraw/zinc/12/18/26/339121826.db2.gz XMVPVXUYYURLBA-DNVCBOLYSA-N 1 0 320.436 4.338 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000464442914 339142209 /nfs/dbraw/zinc/14/22/09/339142209.db2.gz UNSAPEBTPOHCFY-KRWDZBQOSA-N 1 0 314.473 4.256 20 30 DIEDRO COc1ccc(CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464816134 339155103 /nfs/dbraw/zinc/15/51/03/339155103.db2.gz SAILBDNKWRDXIP-RTWAWAEBSA-N 1 0 320.436 4.009 20 30 DIEDRO N#CCSCCC[N@@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000464883913 339160085 /nfs/dbraw/zinc/16/00/85/339160085.db2.gz FDKYWIUKPZAXJM-UHFFFAOYSA-N 1 0 320.477 4.260 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000466403808 339202796 /nfs/dbraw/zinc/20/27/96/339202796.db2.gz JOWJMDFAJGQSEJ-CYBMUJFWSA-N 1 0 300.358 4.299 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2csc(-c3ccccc3)n2)c1 ZINC000466423006 339204126 /nfs/dbraw/zinc/20/41/26/339204126.db2.gz PEURACMAWPSZFV-UHFFFAOYSA-N 1 0 319.433 4.014 20 30 DIEDRO COc1ccc2cc(C[NH2+]CCc3cccc(C#N)c3)ccc2c1 ZINC000466426847 339204487 /nfs/dbraw/zinc/20/44/87/339204487.db2.gz XYRYASQVMGROFQ-UHFFFAOYSA-N 1 0 316.404 4.052 20 30 DIEDRO N#CCSCCC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000466730605 339214576 /nfs/dbraw/zinc/21/45/76/339214576.db2.gz UQFWWHHRHARNDA-UHFFFAOYSA-N 1 0 302.487 4.468 20 30 DIEDRO N#CCSCCC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000466739926 339215165 /nfs/dbraw/zinc/21/51/65/339215165.db2.gz SXVNLNJPAMGFPO-UHFFFAOYSA-N 1 0 310.466 4.451 20 30 DIEDRO CC[N@H+](Cc1nc2ccc(F)cc2o1)[C@H](C)c1ccc(C#N)cc1 ZINC000466815661 339217871 /nfs/dbraw/zinc/21/78/71/339217871.db2.gz LQUMNVSRCJLZIF-CYBMUJFWSA-N 1 0 323.371 4.422 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000466873981 339219741 /nfs/dbraw/zinc/21/97/41/339219741.db2.gz MJLAKOIVCSHVNE-INIZCTEOSA-N 1 0 322.518 4.021 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000467191913 339227697 /nfs/dbraw/zinc/22/76/97/339227697.db2.gz RMZIJBZTJIMRMS-ZBFHGGJFSA-N 1 0 316.420 4.230 20 30 DIEDRO C=CCC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000467305678 339230657 /nfs/dbraw/zinc/23/06/57/339230657.db2.gz UKIHXWLRHNKZNN-LJQANCHMSA-N 1 0 308.425 4.183 20 30 DIEDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000467312619 339231276 /nfs/dbraw/zinc/23/12/76/339231276.db2.gz GZQCNSSVKQMXST-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000467384542 339235888 /nfs/dbraw/zinc/23/58/88/339235888.db2.gz JJCJCBZLBRYCEH-UHFFFAOYSA-N 1 0 309.457 4.233 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000467416201 339237412 /nfs/dbraw/zinc/23/74/12/339237412.db2.gz FMSHYZLXGWFYCA-PVAVHDDUSA-N 1 0 302.418 4.250 20 30 DIEDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467436238 339238453 /nfs/dbraw/zinc/23/84/53/339238453.db2.gz AYJBBELDJCCLLG-CYBMUJFWSA-N 1 0 314.816 4.114 20 30 DIEDRO Cc1cc2c(cc1C)[C@H]([NH2+]CCc1cccc(C#N)c1)CCCO2 ZINC000467436853 339238601 /nfs/dbraw/zinc/23/86/01/339238601.db2.gz QRPVJDWGVKWORF-HXUWFJFHSA-N 1 0 320.436 4.221 20 30 DIEDRO Cc1ccc(C[C@@H]([NH2+]CCc2cccc(C#N)c2)C2CC2)cc1 ZINC000467441982 339238850 /nfs/dbraw/zinc/23/88/50/339238850.db2.gz JQYZIUWLABUEHG-OAQYLSRUSA-N 1 0 304.437 4.020 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCc1cccc(C#N)c1 ZINC000467449617 339239303 /nfs/dbraw/zinc/23/93/03/339239303.db2.gz KKJGRZTWYRAZJR-FQEVSTJZSA-N 1 0 320.436 4.122 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000467456078 339239706 /nfs/dbraw/zinc/23/97/06/339239706.db2.gz TVVQQOYZWPKQDL-LEWJYISDSA-N 1 0 304.437 4.201 20 30 DIEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1cccc2ccccc21 ZINC000468263799 339258138 /nfs/dbraw/zinc/25/81/38/339258138.db2.gz BKVNLYHMRBERLD-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO C=C(C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000468633755 339267574 /nfs/dbraw/zinc/26/75/74/339267574.db2.gz VZVSXMKYCQNBNE-PTNGSMBKSA-N 1 0 308.381 4.301 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000468935910 339275215 /nfs/dbraw/zinc/27/52/15/339275215.db2.gz LWCQIQLCOBLFLS-LJQANCHMSA-N 1 0 318.892 4.421 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000469762674 339298251 /nfs/dbraw/zinc/29/82/51/339298251.db2.gz YQUVESOBXCWYGA-KKSFZXQISA-N 1 0 320.436 4.445 20 30 DIEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000470180589 339313213 /nfs/dbraw/zinc/31/32/13/339313213.db2.gz PREZNIZURMNLQB-OQLLNIDSSA-N 1 0 321.380 4.002 20 30 DIEDRO C=CCOCCC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000470727537 339326322 /nfs/dbraw/zinc/32/63/22/339326322.db2.gz VCPGZAQIBKZHGS-INIZCTEOSA-N 1 0 324.262 4.179 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000470770404 339327273 /nfs/dbraw/zinc/32/72/73/339327273.db2.gz ALPPLMBAJBCOKK-QGZVFWFLSA-N 1 0 320.436 4.469 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000470770403 339327286 /nfs/dbraw/zinc/32/72/86/339327286.db2.gz ALPPLMBAJBCOKK-KRWDZBQOSA-N 1 0 320.436 4.469 20 30 DIEDRO C=CCOCCC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000470773195 339327409 /nfs/dbraw/zinc/32/74/09/339327409.db2.gz NRIPKAUDDXATMV-INIZCTEOSA-N 1 0 323.864 4.024 20 30 DIEDRO C=CCOCCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000470773807 339327419 /nfs/dbraw/zinc/32/74/19/339327419.db2.gz QDPNWFMFWBICSA-UHFFFAOYSA-N 1 0 324.262 4.011 20 30 DIEDRO C=CCOCCC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000470775565 339327617 /nfs/dbraw/zinc/32/76/17/339327617.db2.gz ZJGGWDPZUGTLFF-UHFFFAOYSA-N 1 0 316.420 4.079 20 30 DIEDRO CCC1(c2ccc(Cl)cc2)CC[NH+](CC2(C#N)CC2)CC1 ZINC000470871370 339329820 /nfs/dbraw/zinc/32/98/20/339329820.db2.gz LHNIADVPVRUCSH-UHFFFAOYSA-N 1 0 302.849 4.387 20 30 DIEDRO COCCCC[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000471003479 339334257 /nfs/dbraw/zinc/33/42/57/339334257.db2.gz DYDKLKPSCVTOQH-NRFANRHFSA-N 1 0 307.437 4.186 20 30 DIEDRO C=CCCCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000471594431 339348698 /nfs/dbraw/zinc/34/86/98/339348698.db2.gz DBHPOATWXQIWJK-GOSISDBHSA-N 1 0 302.368 4.395 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000471605325 339349229 /nfs/dbraw/zinc/34/92/29/339349229.db2.gz GHTIMMWFMGYMIN-OAHLLOKOSA-N 1 0 303.450 4.223 20 30 DIEDRO Cc1ccc(Cl)cc1N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000471706794 339351676 /nfs/dbraw/zinc/35/16/76/339351676.db2.gz SJNAXLRWZYMFLQ-UHFFFAOYSA-N 1 0 319.880 4.100 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)CCCC(C)(C)C#N)C12CCCCC2 ZINC000472228098 339366448 /nfs/dbraw/zinc/36/64/48/339366448.db2.gz YNPSWQWXASKPIW-DLBZAZTESA-N 1 0 306.494 4.376 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCCC(C)(C)C#N ZINC000472429984 339371656 /nfs/dbraw/zinc/37/16/56/339371656.db2.gz JMISGMMNSCTJLH-SFHVURJKSA-N 1 0 300.446 4.334 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cc2cccc(F)c2o1 ZINC000473993160 339396537 /nfs/dbraw/zinc/39/65/37/339396537.db2.gz VEAAGFZJIASLBV-SNVBAGLBSA-N 1 0 300.358 4.356 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475565714 339455569 /nfs/dbraw/zinc/45/55/69/339455569.db2.gz MFRSXYZBBPHOEY-MAUKXSAKSA-N 1 0 312.363 4.262 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3cccc(Cl)c3)CC2)o1 ZINC000475575766 339456208 /nfs/dbraw/zinc/45/62/08/339456208.db2.gz SNBFIQVHKYTCDO-UHFFFAOYSA-N 1 0 300.789 4.184 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cc2cccc(F)c2o1 ZINC000475707938 339459959 /nfs/dbraw/zinc/45/99/59/339459959.db2.gz FAFZXKDWPBSVAE-NSHDSACASA-N 1 0 312.319 4.433 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc2cccc(F)c2o1 ZINC000475722668 339460311 /nfs/dbraw/zinc/46/03/11/339460311.db2.gz SEYJZEDWZOQVSI-ZDUSSCGKSA-N 1 0 308.356 4.489 20 30 DIEDRO Cn1cc(C[NH2+]CCCC2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000479924595 339553515 /nfs/dbraw/zinc/55/35/15/339553515.db2.gz ZNHBFVPNHYCANX-UHFFFAOYSA-N 1 0 322.456 4.019 20 30 DIEDRO CC(C)=CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000480287611 339567287 /nfs/dbraw/zinc/56/72/87/339567287.db2.gz XJBRNZATZQZLHL-UHFFFAOYSA-N 1 0 306.409 4.193 20 30 DIEDRO C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)c1c(Cl)cccc1Cl ZINC000480384239 339571515 /nfs/dbraw/zinc/57/15/15/339571515.db2.gz NOPOYMLTBDYBHL-LLVKDONJSA-N 1 0 322.239 4.097 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCc1csc(C)n1)c1ccc(F)c(F)c1 ZINC000481618654 339607752 /nfs/dbraw/zinc/60/77/52/339607752.db2.gz GCVCZMVQGJYQFE-MRXNPFEDSA-N 1 0 308.397 4.179 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481657586 339608868 /nfs/dbraw/zinc/60/88/68/339608868.db2.gz MXUKTKIOMKAYPR-LBPRGKRZSA-N 1 0 303.393 4.145 20 30 DIEDRO Cc1cccc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000481777646 339613941 /nfs/dbraw/zinc/61/39/41/339613941.db2.gz JYIMLGLPJKXWCD-QGZVFWFLSA-N 1 0 320.436 4.471 20 30 DIEDRO COc1ccccc1CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481912482 339616541 /nfs/dbraw/zinc/61/65/41/339616541.db2.gz XAVWJUAERSSVHY-HXUWFJFHSA-N 1 0 320.436 4.167 20 30 DIEDRO CC#CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000482154852 339624898 /nfs/dbraw/zinc/62/48/98/339624898.db2.gz FLKOQVSDUKNDMH-UHFFFAOYSA-N 1 0 318.760 4.011 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000482631732 339638201 /nfs/dbraw/zinc/63/82/01/339638201.db2.gz OQQZKMDKKFFANP-QGZVFWFLSA-N 1 0 312.501 4.257 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000482873038 339645429 /nfs/dbraw/zinc/64/54/29/339645429.db2.gz VGIJOFZQETVYDI-VLIAUNLRSA-N 1 0 311.400 4.414 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000483306087 339660903 /nfs/dbraw/zinc/66/09/03/339660903.db2.gz CRWPLUKCWIKJRB-UHFFFAOYSA-N 1 0 316.351 4.350 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000483631291 339670025 /nfs/dbraw/zinc/67/00/25/339670025.db2.gz AYVKUKRVCCTQTE-WBVHZDCISA-N 1 0 313.445 4.446 20 30 DIEDRO C=CCCCCC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000489013617 339799849 /nfs/dbraw/zinc/79/98/49/339799849.db2.gz NKNKWDOTJNSPTG-UHFFFAOYSA-N 1 0 301.474 4.050 20 30 DIEDRO C=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000490144624 339827003 /nfs/dbraw/zinc/82/70/03/339827003.db2.gz QEIKJEVTJAOALC-OAQYLSRUSA-N 1 0 300.405 4.474 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)CC2 ZINC000495001587 339969738 /nfs/dbraw/zinc/96/97/38/339969738.db2.gz XYBOPDLDYBFYNS-PBHICJAKSA-N 1 0 304.384 4.351 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000495066903 339972372 /nfs/dbraw/zinc/97/23/72/339972372.db2.gz NMPDRZGRYLFTMI-DNVCBOLYSA-N 1 0 315.844 4.204 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498745757 340022481 /nfs/dbraw/zinc/02/24/81/340022481.db2.gz CRWMWCGPFBCFGP-KSSFIOAISA-N 1 0 301.430 4.294 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498745755 340022512 /nfs/dbraw/zinc/02/25/12/340022512.db2.gz CRWMWCGPFBCFGP-KBXCAEBGSA-N 1 0 301.430 4.294 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)c1 ZINC000498794516 340023253 /nfs/dbraw/zinc/02/32/53/340023253.db2.gz YHXHXZZICFWNDI-IBGZPJMESA-N 1 0 306.409 4.083 20 30 DIEDRO Cc1cccc(C)c1[C@H](C)[NH2+]CCCC1(C#N)CCOCC1 ZINC000499627927 340041429 /nfs/dbraw/zinc/04/14/29/340041429.db2.gz WBNRQHBZMCQAEP-KRWDZBQOSA-N 1 0 300.446 4.055 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)s1 ZINC000499625910 340041515 /nfs/dbraw/zinc/04/15/15/340041515.db2.gz OAMJZBSHODIFAL-LBPRGKRZSA-N 1 0 312.866 4.153 20 30 DIEDRO C[C@H]1C[C@]1([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000500403496 340057135 /nfs/dbraw/zinc/05/71/35/340057135.db2.gz NGNGQJITPYXNMR-MEDUHNTESA-N 1 0 302.830 4.298 20 30 DIEDRO C[C@H](C#N)C[N@H+](C[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000501027205 340072511 /nfs/dbraw/zinc/07/25/11/340072511.db2.gz FILBVVVTTDJJTF-CHWSQXEVSA-N 1 0 310.363 4.433 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1OC)[C@H](C)c1cccc(OC)c1 ZINC000501269822 340077598 /nfs/dbraw/zinc/07/75/98/340077598.db2.gz RHEZUCQKPYTQDI-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO C[C@@H]1CC[N@H+](CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000501529098 340082771 /nfs/dbraw/zinc/08/27/71/340082771.db2.gz CZVZVIZHFQUUPB-IUODEOHRSA-N 1 0 308.347 4.392 20 30 DIEDRO C[C@@H]1CC[N@H+](CC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000501529097 340082950 /nfs/dbraw/zinc/08/29/50/340082950.db2.gz CZVZVIZHFQUUPB-DOMZBBRYSA-N 1 0 308.347 4.392 20 30 DIEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)CC1(C#N)CC1 ZINC000501537663 340083107 /nfs/dbraw/zinc/08/31/07/340083107.db2.gz IUBIARWVYKJMQR-UHFFFAOYSA-N 1 0 323.440 4.290 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000501546983 340083215 /nfs/dbraw/zinc/08/32/15/340083215.db2.gz RCCICRSXVNQDBL-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cnn(C2CCCC2)c1 ZINC000502426707 340102839 /nfs/dbraw/zinc/10/28/39/340102839.db2.gz GOCFDRLMZUZIMH-HUUCEWRRSA-N 1 0 308.429 4.282 20 30 DIEDRO C=CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000502445312 340103786 /nfs/dbraw/zinc/10/37/86/340103786.db2.gz LYCVSOACVGYGAZ-KRWDZBQOSA-N 1 0 308.425 4.010 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C/C=C/c3ccccc3)CC2)cc1 ZINC000502504995 340106249 /nfs/dbraw/zinc/10/62/49/340106249.db2.gz AFQFFHVKPRCTOO-QPJJXVBHSA-N 1 0 300.405 4.361 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C/C=C\c3ccccc3)CC2)cc1 ZINC000502504994 340106301 /nfs/dbraw/zinc/10/63/01/340106301.db2.gz AFQFFHVKPRCTOO-DAXSKMNVSA-N 1 0 300.405 4.361 20 30 DIEDRO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCCC(C)(C)C#N)C2)c1 ZINC000502920016 340116705 /nfs/dbraw/zinc/11/67/05/340116705.db2.gz QROHNAYBGMMFLH-GOSISDBHSA-N 1 0 306.400 4.335 20 30 DIEDRO Cc1cc(F)cc([C@]2(F)CC[N@H+](CC(C)(C)CCC#N)C2)c1 ZINC000503044439 340119547 /nfs/dbraw/zinc/11/95/47/340119547.db2.gz BQERMIIVLMPHDG-SFHVURJKSA-N 1 0 306.400 4.335 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503525483 340129803 /nfs/dbraw/zinc/12/98/03/340129803.db2.gz GCBVRBAXPDPCMJ-ROUUACIJSA-N 1 0 300.446 4.044 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(C#N)c1 ZINC000503922301 340136927 /nfs/dbraw/zinc/13/69/27/340136927.db2.gz VXQOVLZNBIZOPU-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(C#N)cc1F ZINC000503932468 340137362 /nfs/dbraw/zinc/13/73/62/340137362.db2.gz YXSVMTJKWWPUER-ZDUSSCGKSA-N 1 0 307.372 4.072 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000479447556 340151744 /nfs/dbraw/zinc/15/17/44/340151744.db2.gz DEXCCQHMWJZVAT-OAHLLOKOSA-N 1 0 303.409 4.209 20 30 DIEDRO CC(C)[C@H](C)[N@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000505261660 340164966 /nfs/dbraw/zinc/16/49/66/340164966.db2.gz YCKLDAZRXDNTER-INIZCTEOSA-N 1 0 300.446 4.378 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccccc1 ZINC000506011968 340183340 /nfs/dbraw/zinc/18/33/40/340183340.db2.gz JBJUFYMWKGPHFP-UHFFFAOYSA-N 1 0 309.438 4.326 20 30 DIEDRO C=CCOc1ccc(C[N@H+](Cc2ccccn2)C(C)(C)C)cc1 ZINC000506045949 340184255 /nfs/dbraw/zinc/18/42/55/340184255.db2.gz OCKBFRVDWOUSKY-UHFFFAOYSA-N 1 0 310.441 4.447 20 30 DIEDRO CC1(C#N)CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000506056318 340184504 /nfs/dbraw/zinc/18/45/04/340184504.db2.gz LLQOCWJXDUWJBD-UHFFFAOYSA-N 1 0 308.425 4.234 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506495984 340195714 /nfs/dbraw/zinc/19/57/14/340195714.db2.gz PDCHQAXRXQBSBM-INIZCTEOSA-N 1 0 308.425 4.020 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2coc3ccccc23)C2CC2)cc1 ZINC000506557681 340196793 /nfs/dbraw/zinc/19/67/93/340196793.db2.gz YAAVHLMQTPZHCV-UHFFFAOYSA-N 1 0 302.377 4.469 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000506609148 340197487 /nfs/dbraw/zinc/19/74/87/340197487.db2.gz BKRYYPQNASHLSK-CQSZACIVSA-N 1 0 312.369 4.010 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000506625261 340198071 /nfs/dbraw/zinc/19/80/71/340198071.db2.gz SAGYXKFRQRDARN-GOSISDBHSA-N 1 0 315.363 4.307 20 30 DIEDRO C=CCc1cc(C[N@H+](C)[C@H]2CCc3ccccc32)cc(OC)c1O ZINC000506690452 340199708 /nfs/dbraw/zinc/19/97/08/340199708.db2.gz RMEZIDIOHMJQGG-IBGZPJMESA-N 1 0 323.436 4.249 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1 ZINC000507152357 340209801 /nfs/dbraw/zinc/20/98/01/340209801.db2.gz SDPGKOCXUIUQEH-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccccc1C#N ZINC000507160314 340210346 /nfs/dbraw/zinc/21/03/46/340210346.db2.gz LKHMTRLRXNOTOX-FQEVSTJZSA-N 1 0 306.409 4.076 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000507172972 340211008 /nfs/dbraw/zinc/21/10/08/340211008.db2.gz JNNQNYWOCCRXNL-UHFFFAOYSA-N 1 0 318.342 4.386 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1=Cc2ccccc2OC1 ZINC000507173163 340211173 /nfs/dbraw/zinc/21/11/73/340211173.db2.gz KXEPBQBNEHRHMA-UHFFFAOYSA-N 1 0 318.420 4.245 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000507210193 340213691 /nfs/dbraw/zinc/21/36/91/340213691.db2.gz JWRRXJVWWPYNIZ-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO C[N@H+](CCc1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000507316415 340217025 /nfs/dbraw/zinc/21/70/25/340217025.db2.gz ISCDHMLNLYAQDM-UHFFFAOYSA-N 1 0 300.405 4.386 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccccc1-c1ccnn1C ZINC000507374844 340218312 /nfs/dbraw/zinc/21/83/12/340218312.db2.gz ZXXSGDOZZOUGSY-UHFFFAOYSA-N 1 0 317.436 4.275 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000507637811 340227033 /nfs/dbraw/zinc/22/70/33/340227033.db2.gz RWPGIRPBFSIRKK-UHFFFAOYSA-N 1 0 322.427 4.362 20 30 DIEDRO CSCCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507646369 340227211 /nfs/dbraw/zinc/22/72/11/340227211.db2.gz XHIAUMXFYLWZNF-UHFFFAOYSA-N 1 0 302.487 4.123 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000507651898 340227296 /nfs/dbraw/zinc/22/72/96/340227296.db2.gz GUPKUVJKMWAQQQ-UHFFFAOYSA-N 1 0 308.400 4.319 20 30 DIEDRO CC[N@H+](CCOc1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000507699625 340228686 /nfs/dbraw/zinc/22/86/86/340228686.db2.gz DDMYCDNMEUUWRX-INIZCTEOSA-N 1 0 324.424 4.029 20 30 DIEDRO CCOc1ccc(C[N@H+](Cc2ccc(C#N)s2)C(C)C)cc1 ZINC000508540222 340246254 /nfs/dbraw/zinc/24/62/54/340246254.db2.gz BLGLNHQOEOTLCL-UHFFFAOYSA-N 1 0 314.454 4.429 20 30 DIEDRO COCC[N@H+](C/C(C)=C\c1ccccc1)Cc1ccc(C#N)cc1 ZINC000508566327 340246708 /nfs/dbraw/zinc/24/67/08/340246708.db2.gz FIXZMGRJKBLDOY-JXAWBTAJSA-N 1 0 320.436 4.110 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N(C)C ZINC000508661945 340249937 /nfs/dbraw/zinc/24/99/37/340249937.db2.gz LMPULYXNMRCEPP-UHFFFAOYSA-N 1 0 307.441 4.036 20 30 DIEDRO C=CC[N@@H+](CC)[C@H]1CCSc2ccc(Br)cc21 ZINC000509071735 340260379 /nfs/dbraw/zinc/26/03/79/340260379.db2.gz QQMROGHENAXXKK-ZDUSSCGKSA-N 1 0 312.276 4.494 20 30 DIEDRO C=C(C)CC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000509119225 340261734 /nfs/dbraw/zinc/26/17/34/340261734.db2.gz BHICRTGRMPKRGN-IBGZPJMESA-N 1 0 305.425 4.219 20 30 DIEDRO C=C(C)CC[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC000509374686 340267779 /nfs/dbraw/zinc/26/77/79/340267779.db2.gz SSYHUXFJBHDLRR-IEWDOMPSSA-N 1 0 320.521 4.137 20 30 DIEDRO C=CCCc1ccccc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000510152203 340290828 /nfs/dbraw/zinc/29/08/28/340290828.db2.gz UKWQIXOHUYBNBE-QGZVFWFLSA-N 1 0 300.446 4.008 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc2occc2c1 ZINC000510205968 340292481 /nfs/dbraw/zinc/29/24/81/340292481.db2.gz AWSHRTUPILMTNY-UHFFFAOYSA-N 1 0 322.433 4.327 20 30 DIEDRO N#CCSCCC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510207219 340292517 /nfs/dbraw/zinc/29/25/17/340292517.db2.gz DCDINPXVOXYDAR-UHFFFAOYSA-N 1 0 308.878 4.199 20 30 DIEDRO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000510240416 340293754 /nfs/dbraw/zinc/29/37/54/340293754.db2.gz JNEVNRBKPIWHSM-NVXWUHKLSA-N 1 0 300.446 4.408 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)C(C)(C)CC ZINC000510250500 340294019 /nfs/dbraw/zinc/29/40/19/340294019.db2.gz RBCHSCFCIUTRDF-UHFFFAOYSA-N 1 0 306.475 4.024 20 30 DIEDRO CCC(C)(C)c1ccc(C[NH+]2CCC(C#N)(COC)CC2)cc1 ZINC000510613486 340303914 /nfs/dbraw/zinc/30/39/14/340303914.db2.gz HHAQZESPFPOZEC-UHFFFAOYSA-N 1 0 314.473 4.126 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1ccc(C#N)cc1F)c1ccsc1 ZINC000303160818 340307590 /nfs/dbraw/zinc/30/75/90/340307590.db2.gz TWXWMCYTZQEVDZ-KRWDZBQOSA-N 1 0 317.433 4.254 20 30 DIEDRO C=C(C)CC[N@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000510763057 340310192 /nfs/dbraw/zinc/31/01/92/340310192.db2.gz LFBDCFNCTFPJJU-UHFFFAOYSA-N 1 0 310.441 4.101 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000303188505 340310893 /nfs/dbraw/zinc/31/08/93/340310893.db2.gz LQVKCWQREWZQFE-UHFFFAOYSA-N 1 0 308.400 4.500 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000510842036 340312613 /nfs/dbraw/zinc/31/26/13/340312613.db2.gz IVCUIMZSROYKOO-UHFFFAOYSA-N 1 0 308.400 4.319 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000510942703 340315755 /nfs/dbraw/zinc/31/57/55/340315755.db2.gz FGCPRHFKSVWNPB-WMZOPIPTSA-N 1 0 315.461 4.017 20 30 DIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000511037009 340318890 /nfs/dbraw/zinc/31/88/90/340318890.db2.gz WKSTVEAEBHXBDG-KPZWWZAWSA-N 1 0 310.372 4.044 20 30 DIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000511037014 340318927 /nfs/dbraw/zinc/31/89/27/340318927.db2.gz WKSTVEAEBHXBDG-SGTLLEGYSA-N 1 0 310.372 4.044 20 30 DIEDRO C=CCOCCC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511144268 340322199 /nfs/dbraw/zinc/32/21/99/340322199.db2.gz JQYSPHKVCVCQAF-SFHVURJKSA-N 1 0 309.400 4.141 20 30 DIEDRO C=CC[N@@H+](C/C=C\c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000512067342 340347310 /nfs/dbraw/zinc/34/73/10/340347310.db2.gz LEVVJYISFWJEKN-XFFZJAGNSA-N 1 0 318.420 4.268 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](CC)c1ccc(F)cc1 ZINC000512164472 340350469 /nfs/dbraw/zinc/35/04/69/340350469.db2.gz CPYWRNWGOAANLI-LJQANCHMSA-N 1 0 317.404 4.440 20 30 DIEDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1C(C)(C)C#N)CCO2 ZINC000512274235 340355005 /nfs/dbraw/zinc/35/50/05/340355005.db2.gz BCUUCZJKYRNFRA-UHFFFAOYSA-N 1 0 320.436 4.191 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512281062 340355250 /nfs/dbraw/zinc/35/52/50/340355250.db2.gz IRLVHOVWOFLYMW-CQSZACIVSA-N 1 0 311.404 4.241 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512279830 340355302 /nfs/dbraw/zinc/35/53/02/340355302.db2.gz NHZXMUJEVNKPDE-CRFBAAHOSA-N 1 0 318.436 4.332 20 30 DIEDRO Cc1ccc(C[NH+](C)C)cc1N[C@H](C)c1ccc(C#N)cc1F ZINC000512288381 340355686 /nfs/dbraw/zinc/35/56/86/340355686.db2.gz NKRLHDIWZPXJHM-CQSZACIVSA-N 1 0 311.404 4.241 20 30 DIEDRO C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1F ZINC000512293976 340355961 /nfs/dbraw/zinc/35/59/61/340355961.db2.gz HFRRPLFENRKULP-JTQLQIEISA-N 1 0 322.305 4.008 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512409493 340360903 /nfs/dbraw/zinc/36/09/03/340360903.db2.gz NSPNZVJUDAKRLM-UHFFFAOYSA-N 1 0 316.332 4.192 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000512434199 340361701 /nfs/dbraw/zinc/36/17/01/340361701.db2.gz VDPBGIRJQWOAMB-GUYCJALGSA-N 1 0 312.363 4.214 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c1F ZINC000512444255 340362052 /nfs/dbraw/zinc/36/20/52/340362052.db2.gz MJNHBSPQPUIGMS-IBGZPJMESA-N 1 0 312.363 4.467 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000512449290 340362318 /nfs/dbraw/zinc/36/23/18/340362318.db2.gz DZFMSLJYMMKPQN-CQSZACIVSA-N 1 0 307.372 4.152 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000173395510 340363994 /nfs/dbraw/zinc/36/39/94/340363994.db2.gz HYACJEPPJZQTAT-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Cl)c(F)c2)cc1 ZINC000512560816 340366939 /nfs/dbraw/zinc/36/69/39/340366939.db2.gz GYMFOMOYIISIMV-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCn2ccc3cc(Cl)ccc32)s1 ZINC000512564267 340367096 /nfs/dbraw/zinc/36/70/96/340367096.db2.gz JZAOWXWGTXUXMD-UHFFFAOYSA-N 1 0 315.829 4.018 20 30 DIEDRO COc1ccc(CC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000512610351 340368861 /nfs/dbraw/zinc/36/88/61/340368861.db2.gz ZWECPQOPRXUJQR-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO CCO[C@H](CC[NH2+][C@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000512611795 340368981 /nfs/dbraw/zinc/36/89/81/340368981.db2.gz MNRDWWPPRMROSO-AUUYWEPGSA-N 1 0 318.436 4.333 20 30 DIEDRO Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(C#N)cc3F)c21 ZINC000512626348 340369657 /nfs/dbraw/zinc/36/96/57/340369657.db2.gz TXMPIKJMJKEWDT-CQSZACIVSA-N 1 0 321.399 4.380 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512626556 340369685 /nfs/dbraw/zinc/36/96/85/340369685.db2.gz VIETXFVKWQLRLC-AWEZNQCLSA-N 1 0 324.399 4.088 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512636681 340370300 /nfs/dbraw/zinc/37/03/00/340370300.db2.gz NFLDMWFZPLIORN-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc2cccnc21)c1ccc(C#N)cc1F ZINC000512636917 340370317 /nfs/dbraw/zinc/37/03/17/340370317.db2.gz PUAQAOBZWHCQAS-AWEZNQCLSA-N 1 0 319.383 4.139 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Cc1cccs1 ZINC000512641558 340370570 /nfs/dbraw/zinc/37/05/70/340370570.db2.gz IFODSEYQAWUUQB-STQMWFEESA-N 1 0 302.418 4.288 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(C#N)cc1F ZINC000512642169 340370609 /nfs/dbraw/zinc/37/06/09/340370609.db2.gz MUMXHKDTKLPJJW-LBPRGKRZSA-N 1 0 302.418 4.387 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C12CCCC2 ZINC000512642068 340370611 /nfs/dbraw/zinc/37/06/11/340370611.db2.gz MGTKCMUFRDRLOT-DOPJRALCSA-N 1 0 316.420 4.086 20 30 DIEDRO Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512642913 340370650 /nfs/dbraw/zinc/37/06/50/340370650.db2.gz UFOYFIHDZBHQHI-HUUCEWRRSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000512646955 340370825 /nfs/dbraw/zinc/37/08/25/340370825.db2.gz FQCWNEKQIIOFAC-YGGLWSGOSA-N 1 0 324.399 4.301 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000512649531 340370911 /nfs/dbraw/zinc/37/09/11/340370911.db2.gz SMBDMHDFIVVSNL-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO CCOCc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512650425 340370951 /nfs/dbraw/zinc/37/09/51/340370951.db2.gz ZYPHEHUIWRZICX-AWEZNQCLSA-N 1 0 312.388 4.085 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(C#N)cc1F ZINC000512649403 340370974 /nfs/dbraw/zinc/37/09/74/340370974.db2.gz RWGNEXDJFTYUIF-SNVBAGLBSA-N 1 0 308.809 4.306 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(C#N)cc1F ZINC000512649401 340371022 /nfs/dbraw/zinc/37/10/22/340371022.db2.gz RWGNEXDJFTYUIF-JTQLQIEISA-N 1 0 308.809 4.306 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(C#N)cc1F ZINC000512659457 340371663 /nfs/dbraw/zinc/37/16/63/340371663.db2.gz HBUHKNUWJSWQPS-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccc(C#N)cc1F ZINC000512667066 340371978 /nfs/dbraw/zinc/37/19/78/340371978.db2.gz NXVAOLLWBRESCD-ORAYPTAESA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@H](NCc1ccccc1OC1CCC1)c1ccc(C#N)cc1F ZINC000512667888 340371993 /nfs/dbraw/zinc/37/19/93/340371993.db2.gz RRKLQJUOVKQUJT-AWEZNQCLSA-N 1 0 324.399 4.479 20 30 DIEDRO C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1F ZINC000512668574 340372269 /nfs/dbraw/zinc/37/22/69/340372269.db2.gz VUCCQQSFOZCVRI-CQSZACIVSA-N 1 0 321.399 4.462 20 30 DIEDRO Fc1ccc(C[NH2+]CC2(C(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000512863956 340381454 /nfs/dbraw/zinc/38/14/54/340381454.db2.gz HYBGJQFYAIBDBH-UHFFFAOYSA-N 1 0 315.232 4.277 20 30 DIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NCc1ccc(C#N)o1 ZINC000512874675 340382020 /nfs/dbraw/zinc/38/20/20/340382020.db2.gz RLUGREAUDAMHAP-UHFFFAOYSA-N 1 0 309.413 4.452 20 30 DIEDRO Fc1ccc(C(F)(F)F)cc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000512913153 340383837 /nfs/dbraw/zinc/38/38/37/340383837.db2.gz MIJUIDFTHWRAOC-UHFFFAOYSA-N 1 0 315.232 4.277 20 30 DIEDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000513101878 340393423 /nfs/dbraw/zinc/39/34/23/340393423.db2.gz UZWIBUWYZWLSJB-QRWLVFNGSA-N 1 0 306.409 4.025 20 30 DIEDRO Cc1ccc(C)c(OC2CC[NH+](CCCC(C)(C)C#N)CC2)c1 ZINC000174832997 340397112 /nfs/dbraw/zinc/39/71/12/340397112.db2.gz UXOYBXBLDJWNND-UHFFFAOYSA-N 1 0 314.473 4.477 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000174838153 340397301 /nfs/dbraw/zinc/39/73/01/340397301.db2.gz WKDLHLICUGLBJH-UHFFFAOYSA-N 1 0 321.262 4.137 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)CCc1ccc(Br)cc1 ZINC000174852192 340397349 /nfs/dbraw/zinc/39/73/49/340397349.db2.gz CNHVBOVTITXBCB-UHFFFAOYSA-N 1 0 323.278 4.253 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000513495729 340410643 /nfs/dbraw/zinc/41/06/43/340410643.db2.gz UKBOAAHRHYIHHB-UHFFFAOYSA-N 1 0 307.743 4.041 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000520898928 340476885 /nfs/dbraw/zinc/47/68/85/340476885.db2.gz IRZVXIUCDFJSSE-CQSZACIVSA-N 1 0 324.371 4.131 20 30 DIEDRO COCCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CCCCC1 ZINC000184719144 340495260 /nfs/dbraw/zinc/49/52/60/340495260.db2.gz ONVSNCMSTOABQN-MRXNPFEDSA-N 1 0 300.446 4.196 20 30 DIEDRO C=C(C)[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccc(F)c(F)c1 ZINC000186452432 340513138 /nfs/dbraw/zinc/51/31/38/340513138.db2.gz JMQROMZROQWBFX-GOSISDBHSA-N 1 0 308.416 4.044 20 30 DIEDRO COCCC1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCCCC1 ZINC000186881219 340516704 /nfs/dbraw/zinc/51/67/04/340516704.db2.gz PBIYTXWUKJRGHL-MRXNPFEDSA-N 1 0 300.446 4.196 20 30 DIEDRO C=C(CC)C[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000521915164 340539804 /nfs/dbraw/zinc/53/98/04/340539804.db2.gz MQOPWCYXWFHECU-QZTJIDSGSA-N 1 0 308.416 4.044 20 30 DIEDRO Cc1ccc([C@@H](CNc2ccc(Cl)cc2C#N)[NH+](C)C)cc1 ZINC000303206843 340633745 /nfs/dbraw/zinc/63/37/45/340633745.db2.gz NLHCPKOCEUPIFV-GOSISDBHSA-N 1 0 313.832 4.235 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000523935841 340644362 /nfs/dbraw/zinc/64/43/62/340644362.db2.gz KNAUPPQJEJAYNR-KSSFIOAISA-N 1 0 312.388 4.060 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000234950243 340655374 /nfs/dbraw/zinc/65/53/74/340655374.db2.gz DBAHBLZCOFRQGB-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000236689665 340663866 /nfs/dbraw/zinc/66/38/66/340663866.db2.gz COZRQVQVWFSMTQ-KRWDZBQOSA-N 1 0 309.434 4.025 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237031909 340667486 /nfs/dbraw/zinc/66/74/86/340667486.db2.gz VMHQQNFVNHNEIZ-FQEVSTJZSA-N 1 0 322.452 4.480 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000237837438 340674431 /nfs/dbraw/zinc/67/44/31/340674431.db2.gz MHTZMNPQYVATMV-HXUWFJFHSA-N 1 0 318.420 4.336 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000538087566 340808867 /nfs/dbraw/zinc/80/88/67/340808867.db2.gz CMSAXFGDQZOOQN-CKEIUWERSA-N 1 0 317.864 4.053 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1ccc(Cl)cc1Cl ZINC000538198292 340812997 /nfs/dbraw/zinc/81/29/97/340812997.db2.gz QHLYSIILIBZUOB-ABAIWWIYSA-N 1 0 302.245 4.219 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000538407667 340821568 /nfs/dbraw/zinc/82/15/68/340821568.db2.gz IZBGYLRUWNLSBI-UONOGXRCSA-N 1 0 316.424 4.110 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000539081955 340871453 /nfs/dbraw/zinc/87/14/53/340871453.db2.gz BWEQQNDNLNSUGE-OLZOCXBDSA-N 1 0 307.388 4.164 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000539091229 340872526 /nfs/dbraw/zinc/87/25/26/340872526.db2.gz UGVUDQDMKMKTTM-JKSUJKDBSA-N 1 0 309.457 4.051 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000539298670 340880004 /nfs/dbraw/zinc/88/00/04/340880004.db2.gz JZQXDMGPYUKQFR-ZWKOTPCHSA-N 1 0 315.482 4.115 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CC)C(C)(C)C ZINC000539493920 340887113 /nfs/dbraw/zinc/88/71/13/340887113.db2.gz SBMHGAJCUOHEEL-MRXNPFEDSA-N 1 0 320.502 4.318 20 30 DIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000539496019 340887324 /nfs/dbraw/zinc/88/73/24/340887324.db2.gz HYFCCNUQYSKCKQ-ZIAGYGMSSA-N 1 0 314.816 4.330 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000539507257 340888341 /nfs/dbraw/zinc/88/83/41/340888341.db2.gz GQSJERIZWQILKH-AWEZNQCLSA-N 1 0 303.402 4.075 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCCCS2)CC1 ZINC000541554918 340974052 /nfs/dbraw/zinc/97/40/52/340974052.db2.gz APGAWEMSOOOTMA-JLAWEPINSA-N 1 0 314.498 4.266 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000541759008 340982837 /nfs/dbraw/zinc/98/28/37/340982837.db2.gz HNNLJGGUVPIKAH-KRWDZBQOSA-N 1 0 308.425 4.262 20 30 DIEDRO N#CCc1ccc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000542209995 341000252 /nfs/dbraw/zinc/00/02/52/341000252.db2.gz RGGMPZHQMMTEGM-OAQYLSRUSA-N 1 0 302.421 4.405 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]2C ZINC000542256932 341002224 /nfs/dbraw/zinc/00/22/24/341002224.db2.gz CIVFASBJLUPBMR-JKSUJKDBSA-N 1 0 320.436 4.269 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542277320 341003164 /nfs/dbraw/zinc/00/31/64/341003164.db2.gz NRBJOQOWXBREEJ-BEFAXECRSA-N 1 0 308.400 4.270 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cc(-n2ccnc2)cs1 ZINC000542464740 341008139 /nfs/dbraw/zinc/00/81/39/341008139.db2.gz GWTVUMHGKVFCFF-UHFFFAOYSA-N 1 0 323.465 4.165 20 30 DIEDRO C[C@@H](CCC(F)(F)F)[NH2+]CCSCc1ccccc1C#N ZINC000542465563 341008351 /nfs/dbraw/zinc/00/83/51/341008351.db2.gz PZPOKCXVMDUGFS-LBPRGKRZSA-N 1 0 316.392 4.112 20 30 DIEDRO Clc1ccccc1C#CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000542512180 341011264 /nfs/dbraw/zinc/01/12/64/341011264.db2.gz NUJGSUAZJMGVNB-KRWDZBQOSA-N 1 0 301.842 4.494 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000542667737 341016405 /nfs/dbraw/zinc/01/64/05/341016405.db2.gz XDBVZJYIRAGEFA-CQSZACIVSA-N 1 0 315.486 4.209 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cccc(C#N)c1F ZINC000542773963 341019891 /nfs/dbraw/zinc/01/98/91/341019891.db2.gz IDSRCFYNLMBAKQ-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO COc1ccccc1/C=C/C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000130477832 341022583 /nfs/dbraw/zinc/02/25/83/341022583.db2.gz JERGZFFPINYQMZ-BEBFYNPSSA-N 1 0 306.409 4.343 20 30 DIEDRO Cc1c(Cl)c(C[NH+]2CCC(CC#N)CC2)nc2ccccc12 ZINC000542879841 341024884 /nfs/dbraw/zinc/02/48/84/341024884.db2.gz WVNZDAXVRSILOZ-UHFFFAOYSA-N 1 0 313.832 4.322 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946833 341026975 /nfs/dbraw/zinc/02/69/75/341026975.db2.gz AESVANUURZKPQZ-IWMITWMQSA-N 1 0 320.436 4.179 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000543107170 341032235 /nfs/dbraw/zinc/03/22/35/341032235.db2.gz IMRKKXKTDASQTJ-JLJREYHVSA-N 1 0 312.457 4.439 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000543172737 341035153 /nfs/dbraw/zinc/03/51/53/341035153.db2.gz LVSKEYFBOYOWOZ-VBKZILBWSA-N 1 0 324.399 4.289 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000543182021 341035715 /nfs/dbraw/zinc/03/57/15/341035715.db2.gz MKJWYEPLRNUWKU-AUUYWEPGSA-N 1 0 324.399 4.289 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(OC(F)F)c1 ZINC000543182587 341035728 /nfs/dbraw/zinc/03/57/28/341035728.db2.gz VHRLXMGDJUCMFC-ZDUSSCGKSA-N 1 0 316.351 4.205 20 30 DIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(CC#N)cc2)cc1 ZINC000543193089 341036231 /nfs/dbraw/zinc/03/62/31/341036231.db2.gz YJIWYWIOYJSNSL-KRWDZBQOSA-N 1 0 322.452 4.072 20 30 DIEDRO N#CCc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000543206534 341036689 /nfs/dbraw/zinc/03/66/89/341036689.db2.gz VKSKZXYCMFSNGM-UHFFFAOYSA-N 1 0 308.400 4.304 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873785 341062186 /nfs/dbraw/zinc/06/21/86/341062186.db2.gz HTNLXTQKDVGWIU-IERDGZPVSA-N 1 0 320.436 4.445 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543915509 341063362 /nfs/dbraw/zinc/06/33/62/341063362.db2.gz AJTQAWMZSRHYFV-KGLIPLIRSA-N 1 0 315.383 4.284 20 30 DIEDRO Cc1ccc(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cn1 ZINC000543990631 341065502 /nfs/dbraw/zinc/06/55/02/341065502.db2.gz OUZJHCCFZSIRSI-UHFFFAOYSA-N 1 0 324.855 4.275 20 30 DIEDRO COc1ccc(C)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000544110035 341070457 /nfs/dbraw/zinc/07/04/57/341070457.db2.gz HODFJKULCWGFJB-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000544116039 341070887 /nfs/dbraw/zinc/07/08/87/341070887.db2.gz CMDRAWMQOPQSCC-FQEVSTJZSA-N 1 0 306.409 4.002 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 ZINC000544119932 341070931 /nfs/dbraw/zinc/07/09/31/341070931.db2.gz GEMROVPXVKYIBT-CYBMUJFWSA-N 1 0 316.351 4.205 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 ZINC000544119933 341071005 /nfs/dbraw/zinc/07/10/05/341071005.db2.gz GEMROVPXVKYIBT-ZDUSSCGKSA-N 1 0 316.351 4.205 20 30 DIEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000544144049 341071871 /nfs/dbraw/zinc/07/18/71/341071871.db2.gz OEUCWQUYZHADCQ-DYESRHJHSA-N 1 0 304.437 4.206 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000544421883 341081508 /nfs/dbraw/zinc/08/15/08/341081508.db2.gz OOZNOQIMRPWKMI-NWDGAFQWSA-N 1 0 317.399 4.458 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)c(F)c1 ZINC000132296774 341120248 /nfs/dbraw/zinc/12/02/48/341120248.db2.gz INUJQGCVOFHMGH-UHFFFAOYSA-N 1 0 317.367 4.049 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000545979313 341149401 /nfs/dbraw/zinc/14/94/01/341149401.db2.gz HMKAYNREHTZUJE-HOCLYGCPSA-N 1 0 305.487 4.309 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000132964676 341150724 /nfs/dbraw/zinc/15/07/24/341150724.db2.gz CHXOKCRDLFEUND-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCSCC#N ZINC000074989666 341159202 /nfs/dbraw/zinc/15/92/02/341159202.db2.gz IEUHBXPVTLXJAU-MSOLQXFVSA-N 1 0 302.487 4.291 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000546606555 341174558 /nfs/dbraw/zinc/17/45/58/341174558.db2.gz LKANMLZBSDRMRP-FQEVSTJZSA-N 1 0 324.468 4.121 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000546685842 341178632 /nfs/dbraw/zinc/17/86/32/341178632.db2.gz SBGFWPMXPOKQOX-WFASDCNBSA-N 1 0 302.245 4.361 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000134155746 341207986 /nfs/dbraw/zinc/20/79/86/341207986.db2.gz XRENTJNYQMCZHP-DZGCQCFKSA-N 1 0 314.454 4.241 20 30 DIEDRO CC(C)(C#N)CCC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000134324789 341213056 /nfs/dbraw/zinc/21/30/56/341213056.db2.gz JTVINLIOVPTABF-UHFFFAOYSA-N 1 0 314.473 4.124 20 30 DIEDRO C[C@@H](COc1ccc(C(C)(C)C)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC000237461069 341214500 /nfs/dbraw/zinc/21/45/00/341214500.db2.gz JSRXMFVJHKZMTH-AWEZNQCLSA-N 1 0 312.413 4.006 20 30 DIEDRO C=CCCc1csc(Cc2nccn2Cc2ccccc2)n1 ZINC000134516562 341216834 /nfs/dbraw/zinc/21/68/34/341216834.db2.gz OEWVCJYNFJRSDM-UHFFFAOYSA-N 1 0 309.438 4.097 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCC(c2ccccc2)c2ccccc2)o1 ZINC000237841863 341221705 /nfs/dbraw/zinc/22/17/05/341221705.db2.gz GLXMMFDMIFWPOK-UHFFFAOYSA-N 1 0 316.404 4.463 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000134749998 341223283 /nfs/dbraw/zinc/22/32/83/341223283.db2.gz MDMDPEFBBXAZHC-VIFPVBQESA-N 1 0 320.177 4.105 20 30 DIEDRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000547883216 341238754 /nfs/dbraw/zinc/23/87/54/341238754.db2.gz GALRVRPIZVIRDV-WMZOPIPTSA-N 1 0 300.446 4.215 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)s1 ZINC000135673710 341243803 /nfs/dbraw/zinc/24/38/03/341243803.db2.gz JIBFAJGZHOWONL-AWEZNQCLSA-N 1 0 304.415 4.086 20 30 DIEDRO CC(C)Oc1ccc(C[NH+]2CCC(CC#N)CC2)cc1Cl ZINC000548298441 341254792 /nfs/dbraw/zinc/25/47/92/341254792.db2.gz ULCKEPQBSHETRZ-UHFFFAOYSA-N 1 0 306.837 4.253 20 30 DIEDRO N#CCSCCC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000080626557 341274319 /nfs/dbraw/zinc/27/43/19/341274319.db2.gz QUFQGCQYEKZSEU-HXUWFJFHSA-N 1 0 322.477 4.281 20 30 DIEDRO C=CCC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549035757 341284096 /nfs/dbraw/zinc/28/40/96/341284096.db2.gz IVZLVXDUYNDPIQ-DLBZAZTESA-N 1 0 310.844 4.169 20 30 DIEDRO CC(C)COc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000549377320 341292662 /nfs/dbraw/zinc/29/26/62/341292662.db2.gz KTYOWQRBPYPQEL-UHFFFAOYSA-N 1 0 308.425 4.225 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000549527943 341296375 /nfs/dbraw/zinc/29/63/75/341296375.db2.gz YNHKDIPNYYDUKC-WBVHZDCISA-N 1 0 305.425 4.258 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000549537280 341296790 /nfs/dbraw/zinc/29/67/90/341296790.db2.gz XYYBXLLYTMBYRD-UGSOOPFHSA-N 1 0 312.363 4.336 20 30 DIEDRO COc1cc(C[NH2+]Cc2cc3ccccc3s2)ccc1C#N ZINC000550225405 341312800 /nfs/dbraw/zinc/31/28/00/341312800.db2.gz GGECVOLSIUJWLN-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO CCOC1(C[NH2+][C@H](C)c2ccc(C#N)cc2Cl)CCCC1 ZINC000550885512 341325483 /nfs/dbraw/zinc/32/54/83/341325483.db2.gz ICMMTYHNKAQIFG-CYBMUJFWSA-N 1 0 306.837 4.212 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000551240340 341335020 /nfs/dbraw/zinc/33/50/20/341335020.db2.gz JXZKZDNQAROHQP-CQSZACIVSA-N 1 0 305.462 4.135 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)C1CC1 ZINC000551240305 341335061 /nfs/dbraw/zinc/33/50/61/341335061.db2.gz IXSAJNJKXZTDCU-HNNXBMFYSA-N 1 0 323.864 4.234 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000551241840 341335215 /nfs/dbraw/zinc/33/52/15/341335215.db2.gz WLCWUTMJPIOGCX-MAUKXSAKSA-N 1 0 305.437 4.485 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000551242233 341335394 /nfs/dbraw/zinc/33/53/94/341335394.db2.gz YSCWQLMBPNMCCB-QGZVFWFLSA-N 1 0 317.864 4.355 20 30 DIEDRO N#Cc1csc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c1 ZINC000551569683 341345945 /nfs/dbraw/zinc/34/59/45/341345945.db2.gz LVQVGEUBVOJVPC-UHFFFAOYSA-N 1 0 312.438 4.231 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cnc(C4CCCC4)s3)CC2)c1 ZINC000551576692 341346220 /nfs/dbraw/zinc/34/62/20/341346220.db2.gz OEWHWARNJAZTBH-UHFFFAOYSA-N 1 0 323.465 4.451 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)nc1 ZINC000551743008 341350322 /nfs/dbraw/zinc/35/03/22/341350322.db2.gz QDMZNXGSFYHMAK-OAQYLSRUSA-N 1 0 313.404 4.027 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551823459 341353185 /nfs/dbraw/zinc/35/31/85/341353185.db2.gz GWFIKFDTKRNENN-GJZGRUSLSA-N 1 0 308.347 4.235 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH+]3C4CCC3CC4)c2)c1 ZINC000551930985 341355347 /nfs/dbraw/zinc/35/53/47/341355347.db2.gz VPLSESMCBFHXPM-UHFFFAOYSA-N 1 0 318.420 4.264 20 30 DIEDRO CC[C@H]1CC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000552071396 341367420 /nfs/dbraw/zinc/36/74/20/341367420.db2.gz BCXLVIZULQBVCQ-SAABIXHNSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)cc1 ZINC000552085554 341368253 /nfs/dbraw/zinc/36/82/53/341368253.db2.gz BTIRIZHCOQFCGP-OXJNMPFZSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)cc1 ZINC000552085555 341368264 /nfs/dbraw/zinc/36/82/64/341368264.db2.gz BTIRIZHCOQFCGP-OXQOHEQNSA-N 1 0 311.425 4.117 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000552087018 341368658 /nfs/dbraw/zinc/36/86/58/341368658.db2.gz YHKIQHGSXANDBF-OLMNPRSZSA-N 1 0 318.848 4.090 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000552129647 341371669 /nfs/dbraw/zinc/37/16/69/341371669.db2.gz CGOPKCAZAFUIAV-INIZCTEOSA-N 1 0 306.837 4.123 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000552290909 341384511 /nfs/dbraw/zinc/38/45/11/341384511.db2.gz YVYCTOKYHDJEIP-SJKOYZFVSA-N 1 0 300.402 4.342 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000248740486 341385643 /nfs/dbraw/zinc/38/56/43/341385643.db2.gz FAHVPMNUMSMDHH-YVWKXTFCSA-N 1 0 311.473 4.413 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000552322306 341386438 /nfs/dbraw/zinc/38/64/38/341386438.db2.gz JFZVCMXAGPGRCE-ZDUSSCGKSA-N 1 0 302.805 4.151 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000248823588 341387745 /nfs/dbraw/zinc/38/77/45/341387745.db2.gz FQYGPOOXMQHLMM-SCRDCRAPSA-N 1 0 312.335 4.318 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248825503 341387768 /nfs/dbraw/zinc/38/77/68/341387768.db2.gz GBJFUVCQGBSAFM-XNRPHZJLSA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000248823586 341387794 /nfs/dbraw/zinc/38/77/94/341387794.db2.gz FQYGPOOXMQHLMM-OUCADQQQSA-N 1 0 312.335 4.318 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1OC(F)F ZINC000248827261 341387844 /nfs/dbraw/zinc/38/78/44/341387844.db2.gz MCPNROYXYSMZPE-IPYPFGDCSA-N 1 0 308.372 4.411 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248994709 341391525 /nfs/dbraw/zinc/39/15/25/341391525.db2.gz ONUBLTSBJQUGHP-IOASZLSFSA-N 1 0 304.821 4.226 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000249059179 341392858 /nfs/dbraw/zinc/39/28/58/341392858.db2.gz ZLNCFWJXJNXBPD-INWMFGNUSA-N 1 0 304.821 4.226 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555947 341405607 /nfs/dbraw/zinc/40/56/07/341405607.db2.gz YGWIUDLZCQNYKC-HNNXBMFYSA-N 1 0 319.836 4.267 20 30 DIEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000552922688 341408820 /nfs/dbraw/zinc/40/88/20/341408820.db2.gz OMVRFAVOLNEDJY-OREJSRFESA-N 1 0 302.421 4.459 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000091068121 341421800 /nfs/dbraw/zinc/42/18/00/341421800.db2.gz GECSDKIPFGTDKY-UHFFFAOYSA-N 1 0 323.399 4.387 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC(c2ccccc2)C1 ZINC000553261751 341422306 /nfs/dbraw/zinc/42/23/06/341422306.db2.gz RJHUPICECMRUKG-GRERDSQWSA-N 1 0 302.421 4.471 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091334269 341424930 /nfs/dbraw/zinc/42/49/30/341424930.db2.gz QELXLZPISGJGLZ-HXUWFJFHSA-N 1 0 316.489 4.022 20 30 DIEDRO C=CCCC[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000553650233 341433198 /nfs/dbraw/zinc/43/31/98/341433198.db2.gz QBWJRYDWWOUPGW-KRWDZBQOSA-N 1 0 314.473 4.147 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1 ZINC000553829500 341436728 /nfs/dbraw/zinc/43/67/28/341436728.db2.gz ZKUXQGMSRDCYDU-ZDUSSCGKSA-N 1 0 303.352 4.380 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000554360568 341451130 /nfs/dbraw/zinc/45/11/30/341451130.db2.gz RVSRSPIPCVBJSC-OAHLLOKOSA-N 1 0 321.262 4.356 20 30 DIEDRO CC(C)[C@@H](COCc1ccccc1)[NH2+]CC(C)(C)CCC#N ZINC000554366149 341451520 /nfs/dbraw/zinc/45/15/20/341451520.db2.gz HCMGWFAPGFBCTK-GOSISDBHSA-N 1 0 302.462 4.147 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000555591037 341486244 /nfs/dbraw/zinc/48/62/44/341486244.db2.gz GBLBFYCUPWTQPS-UHFFFAOYSA-N 1 0 310.441 4.353 20 30 DIEDRO N#CCC1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000564820871 341510633 /nfs/dbraw/zinc/51/06/33/341510633.db2.gz MFVCZVNDTLCREN-UHFFFAOYSA-N 1 0 318.848 4.254 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)cc1F ZINC000564829099 341510852 /nfs/dbraw/zinc/51/08/52/341510852.db2.gz JZIBAJSIOOULJC-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000153342073 341535759 /nfs/dbraw/zinc/53/57/59/341535759.db2.gz QAXGMQCBTQSYMV-INIZCTEOSA-N 1 0 308.425 4.334 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000566068067 341546952 /nfs/dbraw/zinc/54/69/52/341546952.db2.gz QMRSLZUKQOOJEC-XOBRGWDASA-N 1 0 308.400 4.305 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000153729032 341577839 /nfs/dbraw/zinc/57/78/39/341577839.db2.gz KCEIJFJXKMNVOY-AWEZNQCLSA-N 1 0 315.388 4.250 20 30 DIEDRO COc1cc(C[NH2+]C[C@@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000567151650 341582988 /nfs/dbraw/zinc/58/29/88/341582988.db2.gz XLIRHESDFKUNJW-CYBMUJFWSA-N 1 0 314.816 4.114 20 30 DIEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)ccc1Br ZINC000567395177 341601091 /nfs/dbraw/zinc/60/10/91/341601091.db2.gz ZJXIFHGPLGTTRG-UHFFFAOYSA-N 1 0 309.251 4.177 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000268797159 341604086 /nfs/dbraw/zinc/60/40/86/341604086.db2.gz IUQOVMPNVSXLQT-HUUCEWRRSA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000268797154 341604108 /nfs/dbraw/zinc/60/41/08/341604108.db2.gz IUQOVMPNVSXLQT-CABCVRRESA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(C#N)cc1F ZINC000157410501 341637575 /nfs/dbraw/zinc/63/75/75/341637575.db2.gz UJSPBEDQPUWRKP-BDJLRTHQSA-N 1 0 300.402 4.487 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(C#N)cc1Cl ZINC000568830167 341682927 /nfs/dbraw/zinc/68/29/27/341682927.db2.gz WERRPJFNGQZFTQ-NSHDSACASA-N 1 0 320.770 4.383 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000574100873 341748668 /nfs/dbraw/zinc/74/86/68/341748668.db2.gz PKGIOOMEOPMQRQ-UHFFFAOYSA-N 1 0 306.400 4.474 20 30 DIEDRO Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(C#N)cc3)c21 ZINC000174054872 341823537 /nfs/dbraw/zinc/82/35/37/341823537.db2.gz TXPIUBADHCHHLE-OAHLLOKOSA-N 1 0 303.409 4.241 20 30 DIEDRO N#CCCOCC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000576175620 341831539 /nfs/dbraw/zinc/83/15/39/341831539.db2.gz IYGOQNLRANTACQ-QGZVFWFLSA-N 1 0 306.837 4.091 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000576358915 341842261 /nfs/dbraw/zinc/84/22/61/341842261.db2.gz AESVANUURZKPQZ-IPHXSNPTSA-N 1 0 320.436 4.179 20 30 DIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000576990922 341874148 /nfs/dbraw/zinc/87/41/48/341874148.db2.gz SNSSMUQIPKNLHO-IERDGZPVSA-N 1 0 320.436 4.131 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000577372656 341906435 /nfs/dbraw/zinc/90/64/35/341906435.db2.gz JVNWZDNROGMBOR-QGZVFWFLSA-N 1 0 312.413 4.218 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2cnc(-c3cccs3)s2)c1 ZINC000177567415 341921190 /nfs/dbraw/zinc/92/11/90/341921190.db2.gz BSYAOXKMLJUWOF-UHFFFAOYSA-N 1 0 311.435 4.033 20 30 DIEDRO N#Cc1csc(C[NH2+]Cc2ccccc2OC2CCCC2)c1 ZINC000177687112 341923920 /nfs/dbraw/zinc/92/39/20/341923920.db2.gz LVWZHPHLBXHFFB-UHFFFAOYSA-N 1 0 312.438 4.231 20 30 DIEDRO COc1cccc(C[C@@H]([NH2+]CCCCC#N)c2ccccc2)c1 ZINC000178642616 341960705 /nfs/dbraw/zinc/96/07/05/341960705.db2.gz LYKDXKPMHZCAIX-HXUWFJFHSA-N 1 0 308.425 4.262 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000237310960 517334958 /nfs/dbraw/zinc/33/49/58/517334958.db2.gz ZYRDISMMJHUZQP-INIZCTEOSA-N 1 0 311.425 4.068 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccnc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374695671 518178283 /nfs/dbraw/zinc/17/82/83/518178283.db2.gz UMPXLDGHWYLQQT-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181426658 519520463 /nfs/dbraw/zinc/52/04/63/519520463.db2.gz GZMZCBIVYGPHSP-HNNXBMFYSA-N 1 0 321.424 4.004 20 30 DIEDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000181426670 519520915 /nfs/dbraw/zinc/52/09/15/519520915.db2.gz GZMZCBIVYGPHSP-OAHLLOKOSA-N 1 0 321.424 4.004 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1F ZINC000191581685 519799197 /nfs/dbraw/zinc/79/91/97/519799197.db2.gz ABQYNIBPQWLYDW-QGZVFWFLSA-N 1 0 319.811 4.176 20 30 DIEDRO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000131303864 523024639 /nfs/dbraw/zinc/02/46/39/523024639.db2.gz ATELKDJSJAYAMK-KBXCAEBGSA-N 1 0 310.397 4.196 20 30 DIEDRO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCC(C)(C)CC1 ZINC000127673382 523607561 /nfs/dbraw/zinc/60/75/61/523607561.db2.gz GTGICHDOBFLBNA-UHFFFAOYSA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cccc(C#N)c1 ZINC000182050024 525477165 /nfs/dbraw/zinc/47/71/65/525477165.db2.gz PUXFRDUHWPMZDN-UZLBHIALSA-N 1 0 322.452 4.011 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000181575015 525500501 /nfs/dbraw/zinc/50/05/01/525500501.db2.gz YVASYERKRQNLEU-MAODMQOUSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000182072113 525543625 /nfs/dbraw/zinc/54/36/25/525543625.db2.gz OUOUPSYHTCCGDA-MDKPJZGXSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccc(C#N)cc1 ZINC000179959912 525610018 /nfs/dbraw/zinc/61/00/18/525610018.db2.gz BOOSTDGETYGJJJ-UGSOOPFHSA-N 1 0 310.372 4.262 20 30 DIEDRO N#Cc1ccc(CN2CCC([NH2+]CCC3=CCCCC3)CC2)cc1 ZINC000181386181 526609093 /nfs/dbraw/zinc/60/90/93/526609093.db2.gz NSUHPPMBQZLDIC-UHFFFAOYSA-N 1 0 323.484 4.003 20 30 DIEDRO COCC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000272597402 536818150 /nfs/dbraw/zinc/81/81/50/536818150.db2.gz INKSJNNYBTXUBP-DYVFJYSZSA-N 1 0 316.376 4.027 20 30 DIEDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000289367389 537022274 /nfs/dbraw/zinc/02/22/74/537022274.db2.gz ZWXOPDLHQHUKFM-SJCJKPOMSA-N 1 0 310.372 4.044 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC(C)(C)C(F)(F)F ZINC000800889425 1040126025 /nfs/dbraw/zinc/12/60/25/1040126025.db2.gz VMOCFNDDGLAFBO-UHFFFAOYSA-N 1 0 319.754 4.030 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cccc(Cl)c1 ZINC000903125332 1046169019 /nfs/dbraw/zinc/16/90/19/1046169019.db2.gz MSOJPIDOTGTAPE-PSGMQZRDSA-N 1 0 313.894 4.094 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C(F)(F)F)cc1F ZINC001255636102 1062490983 /nfs/dbraw/zinc/49/09/83/1062490983.db2.gz KXZOKIMUSMTFFA-SSDOTTSWSA-N 1 0 303.221 4.275 20 30 DIEDRO N#CCC[C@@H](NCc1cccc(O)c1Cl)c1ccccc1 ZINC000339314951 1035514549 /nfs/dbraw/zinc/51/45/49/1035514549.db2.gz FOYAOFBWZHPMQX-OAHLLOKOSA-N 1 0 300.789 4.180 20 30 DIEDRO C=CC(C)(C)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001125267767 1035517092 /nfs/dbraw/zinc/51/70/92/1035517092.db2.gz ZRPRHQTZKUZLRV-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccco1 ZINC000796816121 1035682237 /nfs/dbraw/zinc/68/22/37/1035682237.db2.gz HWLKUKCXGBBNBJ-CVEARBPZSA-N 1 0 305.805 4.264 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000187152591 1035713603 /nfs/dbraw/zinc/71/36/03/1035713603.db2.gz KRHHOWQLAJQAFN-GQIGUUNPSA-N 1 0 306.409 4.081 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1c1ccccc1 ZINC000610216075 1035750308 /nfs/dbraw/zinc/75/03/08/1035750308.db2.gz IYYMCWXMWVCDAB-QRWLVFNGSA-N 1 0 308.400 4.323 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001206777832 1035752432 /nfs/dbraw/zinc/75/24/32/1035752432.db2.gz VXLDAQLRBJARAM-HNNXBMFYSA-N 1 0 322.493 4.110 20 30 DIEDRO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@@H]1c1ccccc1 ZINC000610216084 1035753100 /nfs/dbraw/zinc/75/31/00/1035753100.db2.gz KAJPEXYJHBIFBX-XLIONFOSSA-N 1 0 320.436 4.063 20 30 DIEDRO C=C[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000119350868 1035768297 /nfs/dbraw/zinc/76/82/97/1035768297.db2.gz YLAXXSHCALPVRA-RYUDHWBXSA-N 1 0 302.443 4.352 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](CC(CC)(CC)CNC(=O)OC(C)(C)C)C1 ZINC001206800043 1035882682 /nfs/dbraw/zinc/88/26/82/1035882682.db2.gz HPFCEEBIFQUGBM-MRXNPFEDSA-N 1 0 324.509 4.216 20 30 DIEDRO C=CCCCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001209207913 1036063289 /nfs/dbraw/zinc/06/32/89/1036063289.db2.gz HSPCKEMYMIKNND-INIZCTEOSA-N 1 0 313.363 4.435 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(Oc2ccc(OC)cn2)CC1 ZINC001209438932 1036182268 /nfs/dbraw/zinc/18/22/68/1036182268.db2.gz YLYWYKHVUKNDDU-UHFFFAOYSA-N 1 0 318.461 4.070 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCC[C@]2(C[C@H](OCC=C)CO2)C1 ZINC001209439459 1036185482 /nfs/dbraw/zinc/18/54/82/1036185482.db2.gz QOGUSPMRRDBJAO-PMACEKPBSA-N 1 0 321.505 4.339 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001209442001 1036188284 /nfs/dbraw/zinc/18/82/84/1036188284.db2.gz MTPWMCRWUNKFPR-UHFFFAOYSA-N 1 0 308.510 4.093 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1OC)[C@H]1CCc2ccccc21 ZINC001167205402 1036271588 /nfs/dbraw/zinc/27/15/88/1036271588.db2.gz DPOJTNUMVRKWCV-FQEVSTJZSA-N 1 0 320.436 4.466 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Br)c(Cl)c1)C(C)C ZINC001167226707 1036290454 /nfs/dbraw/zinc/29/04/54/1036290454.db2.gz AKWRUNUVGBSCKB-UHFFFAOYSA-N 1 0 302.643 4.499 20 30 DIEDRO COCC[N@H+](Cc1c(C)cc(C#N)cc1C)[C@H](C)c1ccccc1 ZINC001167248261 1036318993 /nfs/dbraw/zinc/31/89/93/1036318993.db2.gz KQYZAQZQIATUSA-GOSISDBHSA-N 1 0 322.452 4.385 20 30 DIEDRO CC(C)[N@H+](CCOC1CCCCC1)Cc1ccc(C#N)cc1 ZINC001167248565 1036319523 /nfs/dbraw/zinc/31/95/23/1036319523.db2.gz WBFWJABWOXKXIT-UHFFFAOYSA-N 1 0 300.446 4.118 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCCC)cc2)C1 ZINC001648802309 1036372909 /nfs/dbraw/zinc/37/29/09/1036372909.db2.gz GARIXWYQYAPAOT-APWZRJJASA-N 1 0 314.473 4.051 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cc(Br)cs2)CC1 ZINC000724550439 1036392758 /nfs/dbraw/zinc/39/27/58/1036392758.db2.gz REMOXEBZVSSAON-UHFFFAOYSA-N 1 0 300.265 4.347 20 30 DIEDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001167283643 1036402614 /nfs/dbraw/zinc/40/26/14/1036402614.db2.gz KBOVQOLUSGNSGH-UHFFFAOYSA-N 1 0 307.441 4.122 20 30 DIEDRO N#Cc1ccc(CN(Cc2nc3cc(F)ccc3o2)C2CC2)cc1 ZINC000177008711 1036521879 /nfs/dbraw/zinc/52/18/79/1036521879.db2.gz KKDCUEWGCWHNNW-UHFFFAOYSA-N 1 0 321.355 4.003 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000177200521 1036540165 /nfs/dbraw/zinc/54/01/65/1036540165.db2.gz OPZFXCDOUBLHLP-JKSUJKDBSA-N 1 0 316.408 4.156 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1coc2ccccc12 ZINC000340426177 1036592369 /nfs/dbraw/zinc/59/23/69/1036592369.db2.gz MJSDWVJACAXUCT-LJQANCHMSA-N 1 0 302.377 4.472 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)c(C)c1)Oc1cccc(C)c1 ZINC001648826950 1036604224 /nfs/dbraw/zinc/60/42/24/1036604224.db2.gz WXYVVKOLQZSFKW-LJQANCHMSA-N 1 0 308.425 4.122 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)c(C)c1)Oc1cccc(C)c1 ZINC001648826949 1036604378 /nfs/dbraw/zinc/60/43/78/1036604378.db2.gz WXYVVKOLQZSFKW-IBGZPJMESA-N 1 0 308.425 4.122 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC001167331945 1036778451 /nfs/dbraw/zinc/77/84/51/1036778451.db2.gz DEGVWROAQPLSPK-NRFANRHFSA-N 1 0 304.437 4.055 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000610340569 1036831028 /nfs/dbraw/zinc/83/10/28/1036831028.db2.gz WIQVWZCHITXHAW-ZDUSSCGKSA-N 1 0 318.342 4.470 20 30 DIEDRO COc1ccc2cc(C[NH2+]Cc3cc(C#N)cs3)ccc2c1 ZINC000177682671 1036853476 /nfs/dbraw/zinc/85/34/76/1036853476.db2.gz WAGWWEJOBKAMCM-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO C[C@@H]1CC(=O)C=C(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)C1 ZINC001210773044 1036950829 /nfs/dbraw/zinc/95/08/29/1036950829.db2.gz QYQPIPTYAQXSPO-LBPRGKRZSA-N 1 0 317.392 4.265 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC001167371276 1037012875 /nfs/dbraw/zinc/01/28/75/1037012875.db2.gz BHHKRFKIHOZTKW-FQEVSTJZSA-N 1 0 308.425 4.396 20 30 DIEDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC000579539366 1037052744 /nfs/dbraw/zinc/05/27/44/1037052744.db2.gz KGGMYSDEWXVEKR-GOSISDBHSA-N 1 0 320.436 4.022 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000782181916 1037087573 /nfs/dbraw/zinc/08/75/73/1037087573.db2.gz KMWXBZBVAOOMMG-MRXNPFEDSA-N 1 0 316.445 4.382 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000303550551 1037134675 /nfs/dbraw/zinc/13/46/75/1037134675.db2.gz MXXIIKFIIJGADD-KRWDZBQOSA-N 1 0 311.425 4.119 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000580520775 1037181224 /nfs/dbraw/zinc/18/12/24/1037181224.db2.gz KECJEWPSCQBKFF-CQSZACIVSA-N 1 0 312.457 4.226 20 30 DIEDRO C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1cccc(C#N)c1 ZINC000319731060 1037184007 /nfs/dbraw/zinc/18/40/07/1037184007.db2.gz QZFWNQNEUTWWME-MRXNPFEDSA-N 1 0 303.409 4.254 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)c1 ZINC000275908794 1037189473 /nfs/dbraw/zinc/18/94/73/1037189473.db2.gz UCUZYHRUAGZEDJ-HUUCEWRRSA-N 1 0 308.347 4.258 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000537328291 1037224423 /nfs/dbraw/zinc/22/44/23/1037224423.db2.gz ASMPLMSRVFTVJL-KRWDZBQOSA-N 1 0 302.418 4.116 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC001203155709 1037256622 /nfs/dbraw/zinc/25/66/22/1037256622.db2.gz FAFVLHQRPRWVOH-INIZCTEOSA-N 1 0 300.446 4.080 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000580706329 1037259591 /nfs/dbraw/zinc/25/95/91/1037259591.db2.gz VJNGCLNFKXRWOQ-NHYWBVRUSA-N 1 0 302.245 4.219 20 30 DIEDRO N#CC1(C[NH2+]Cc2ccccc2CC(F)(F)F)CCCCC1 ZINC001203155766 1037260776 /nfs/dbraw/zinc/26/07/76/1037260776.db2.gz HPNXNRBWJPTDAI-UHFFFAOYSA-N 1 0 310.363 4.355 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000580824167 1037317116 /nfs/dbraw/zinc/31/71/16/1037317116.db2.gz SHBOPAFVEHXRKI-SOUVJXGZSA-N 1 0 301.409 4.263 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000580824166 1037318810 /nfs/dbraw/zinc/31/88/10/1037318810.db2.gz SHBOPAFVEHXRKI-RRFJBIMHSA-N 1 0 301.409 4.263 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000175870442 1037321180 /nfs/dbraw/zinc/32/11/80/1037321180.db2.gz VAQWEXITFWJXRO-JCGIZDLHSA-N 1 0 318.486 4.131 20 30 DIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC2CCC(C#N)CC2)c1 ZINC001167439542 1037370924 /nfs/dbraw/zinc/37/09/24/1037370924.db2.gz ZGZCUPBACQCWJM-UHYCVJNDSA-N 1 0 311.473 4.219 20 30 DIEDRO N#CCC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000255912611 1037378369 /nfs/dbraw/zinc/37/83/69/1037378369.db2.gz XQLSMDXJZXLZGU-VTSXBNNFSA-N 1 0 321.380 4.243 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000580981043 1037396242 /nfs/dbraw/zinc/39/62/42/1037396242.db2.gz NZYGVEHCWJUVQY-HRAATJIYSA-N 1 0 318.420 4.089 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000580981046 1037396604 /nfs/dbraw/zinc/39/66/04/1037396604.db2.gz NZYGVEHCWJUVQY-KKSFZXQISA-N 1 0 318.420 4.089 20 30 DIEDRO CCC[N@H+](Cc1cccc(C#N)c1F)[C@H]1C[C@H](OCC)C1(C)C ZINC001167443262 1037414768 /nfs/dbraw/zinc/41/47/68/1037414768.db2.gz QYNHGZAOJJXBMP-IRXDYDNUSA-N 1 0 318.436 4.113 20 30 DIEDRO C[C@@H](c1ccc(C[NH+]2CCC(CC#N)CC2)cc1)C(F)(F)F ZINC000581052908 1037419870 /nfs/dbraw/zinc/41/98/70/1037419870.db2.gz MKJRVAGCKBYLNR-ZDUSSCGKSA-N 1 0 310.363 4.478 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)c(C)cc1C ZINC000581158742 1037456714 /nfs/dbraw/zinc/45/67/14/1037456714.db2.gz DVDAZJZRFNVNNP-UHFFFAOYSA-N 1 0 313.441 4.275 20 30 DIEDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000610488632 1037492704 /nfs/dbraw/zinc/49/27/04/1037492704.db2.gz VKLMBZONTUYYNU-UHFFFAOYSA-N 1 0 300.427 4.087 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)n1cc(C[NH2+]C2CCCCC2)nn1 ZINC000656458147 1037511346 /nfs/dbraw/zinc/51/13/46/1037511346.db2.gz YIYGQDVXUKMMFR-HXUWFJFHSA-N 1 0 324.472 4.060 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CCC([NH+]2CCC2)CC1 ZINC001167454905 1037538758 /nfs/dbraw/zinc/53/87/58/1037538758.db2.gz FFUQTSLYTKTATF-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cnn1C(C)(C)C ZINC000276328194 1037706722 /nfs/dbraw/zinc/70/67/22/1037706722.db2.gz IECYJSWXIVXVKA-KGLIPLIRSA-N 1 0 310.445 4.230 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133726 1037819317 /nfs/dbraw/zinc/81/93/17/1037819317.db2.gz BBHXJLUVVOMZNL-NHCUHLMSSA-N 1 0 320.436 4.158 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000337540283 1037978032 /nfs/dbraw/zinc/97/80/32/1037978032.db2.gz ICSLTMPQZSMNTM-YESZJQIVSA-N 1 0 320.383 4.076 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000602455168 1038005612 /nfs/dbraw/zinc/00/56/12/1038005612.db2.gz QXFITWCROJKYFV-CQSZACIVSA-N 1 0 313.420 4.426 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000602431872 1038006680 /nfs/dbraw/zinc/00/66/80/1038006680.db2.gz GAZUKNBSTQZSMP-AWEZNQCLSA-N 1 0 313.470 4.416 20 30 DIEDRO CC[N@H+](Cc1ccc(C(F)F)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602442962 1038007446 /nfs/dbraw/zinc/00/74/46/1038007446.db2.gz DDOKZBPAGRVYJE-ZDUSSCGKSA-N 1 0 315.367 4.474 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000602455134 1038008005 /nfs/dbraw/zinc/00/80/05/1038008005.db2.gz VLPFLHCOOGJDSF-NEWSRXKRSA-N 1 0 300.446 4.026 20 30 DIEDRO Cc1ccc(C)c(OC2CC[NH+](C[C@@H](C)CCC#N)CC2)c1 ZINC000602447223 1038009560 /nfs/dbraw/zinc/00/95/60/1038009560.db2.gz CEBWJKOWXLFBEZ-INIZCTEOSA-N 1 0 300.446 4.087 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000127316649 1038013463 /nfs/dbraw/zinc/01/34/63/1038013463.db2.gz VIWUFWDNMHNRIV-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000602456673 1038014208 /nfs/dbraw/zinc/01/42/08/1038014208.db2.gz CEJBLKLONOLORV-NVXWUHKLSA-N 1 0 324.428 4.203 20 30 DIEDRO N#CCCC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000564916494 1038019063 /nfs/dbraw/zinc/01/90/63/1038019063.db2.gz XRCTWCZJRNFGGO-UHFFFAOYSA-N 1 0 311.454 4.326 20 30 DIEDRO CC(C)c1ccc(CC[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602497572 1038022516 /nfs/dbraw/zinc/02/25/16/1038022516.db2.gz BSTMNSZWCPUQMC-QGZVFWFLSA-N 1 0 314.473 4.041 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000602514711 1038024414 /nfs/dbraw/zinc/02/44/14/1038024414.db2.gz UNKSRKXPYMTEIB-XMTFNYHQSA-N 1 0 304.478 4.034 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000602514682 1038025048 /nfs/dbraw/zinc/02/50/48/1038025048.db2.gz UNKSRKXPYMTEIB-BRSBDYLESA-N 1 0 304.478 4.034 20 30 DIEDRO COc1ccc([C@@H]([NH2+]C[C@@H](C)CCC#N)c2ccccc2)cc1 ZINC000602506562 1038027493 /nfs/dbraw/zinc/02/74/93/1038027493.db2.gz ZLKUZNBOMSOFER-JXFKEZNVSA-N 1 0 308.425 4.314 20 30 DIEDRO COc1cc([C@H](C)[NH2+]C[C@H](C)CCC#N)ccc1OC(C)C ZINC000602511739 1038030339 /nfs/dbraw/zinc/03/03/39/1038030339.db2.gz TXXAWGAXZOLCLB-CABCVRRESA-N 1 0 304.434 4.073 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)CCC#N)ccc1OCC(C)C ZINC000602510837 1038030776 /nfs/dbraw/zinc/03/07/76/1038030776.db2.gz PIFOMBXOPFSKFJ-HZPDHXFCSA-N 1 0 318.461 4.320 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1OC(F)F ZINC000602509837 1038031370 /nfs/dbraw/zinc/03/13/70/1038031370.db2.gz URFYSYVATGBLIE-SSDMNJCBSA-N 1 0 308.372 4.411 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CCC#N)cc1OCC ZINC000602511232 1038031475 /nfs/dbraw/zinc/03/14/75/1038031475.db2.gz UJKNFSMXQYEFPF-GJZGRUSLSA-N 1 0 304.434 4.074 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1cccc2ccccc21 ZINC000602511236 1038031750 /nfs/dbraw/zinc/03/17/50/1038031750.db2.gz OGIJXJRNGVADIK-QGZVFWFLSA-N 1 0 322.452 4.071 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602511435 1038031847 /nfs/dbraw/zinc/03/18/47/1038031847.db2.gz RNNSELNNNGQHKW-MJGOQNOKSA-N 1 0 314.473 4.115 20 30 DIEDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)CCC#N)ccc1OCC(C)C ZINC000602510836 1038031913 /nfs/dbraw/zinc/03/19/13/1038031913.db2.gz PIFOMBXOPFSKFJ-HOTGVXAUSA-N 1 0 318.461 4.320 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000602512958 1038032444 /nfs/dbraw/zinc/03/24/44/1038032444.db2.gz YKUWGHSESMNWRU-SJORKVTESA-N 1 0 323.440 4.251 20 30 DIEDRO N#CC1CCC([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000602524639 1038033539 /nfs/dbraw/zinc/03/35/39/1038033539.db2.gz ODKMQTNVGVEDTO-AJUCZRQESA-N 1 0 320.383 4.337 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000602532670 1038035781 /nfs/dbraw/zinc/03/57/81/1038035781.db2.gz ZQVUJGLPPBNVGX-CQSZACIVSA-N 1 0 313.376 4.042 20 30 DIEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602560657 1038036109 /nfs/dbraw/zinc/03/61/09/1038036109.db2.gz ZLEHYTIKDWKWJV-NXOUGTEYSA-N 1 0 311.816 4.094 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000602556849 1038037275 /nfs/dbraw/zinc/03/72/75/1038037275.db2.gz WEIJHMKGZKAELM-VQIMIIECSA-N 1 0 300.446 4.000 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000178176752 1038040507 /nfs/dbraw/zinc/04/05/07/1038040507.db2.gz BAICJVWNHMUQMN-HZPDHXFCSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000602569730 1038041551 /nfs/dbraw/zinc/04/15/51/1038041551.db2.gz RLRJQLFJBOUWFQ-KGLIPLIRSA-N 1 0 304.409 4.205 20 30 DIEDRO CC(C)[C@H](NCc1cccc(C#N)n1)c1ccc(Cl)cc1F ZINC000602595525 1038042911 /nfs/dbraw/zinc/04/29/11/1038042911.db2.gz CGQPQCAAHUVOHT-KRWDZBQOSA-N 1 0 317.795 4.233 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+]C[C@H](C)CCC#N)c2ccccn2)cc1 ZINC000602551512 1038043546 /nfs/dbraw/zinc/04/35/46/1038043546.db2.gz OVJUUECROPRJHJ-XLIONFOSSA-N 1 0 307.441 4.203 20 30 DIEDRO CC(C)c1nc([C@@H]2CCCCCN2C[C@@H](C)CCC#N)no1 ZINC000602597329 1038044243 /nfs/dbraw/zinc/04/42/43/1038044243.db2.gz AWUSMRZQJBWQGL-GJZGRUSLSA-N 1 0 304.438 4.050 20 30 DIEDRO CC(C)c1nc([C@H]2CCCCCN2C[C@H](C)CCC#N)no1 ZINC000602597331 1038044635 /nfs/dbraw/zinc/04/46/35/1038044635.db2.gz AWUSMRZQJBWQGL-HUUCEWRRSA-N 1 0 304.438 4.050 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C#N)n1)CCC2 ZINC000602576914 1038046039 /nfs/dbraw/zinc/04/60/39/1038046039.db2.gz DCQRAWQICFIJMF-FQEVSTJZSA-N 1 0 305.425 4.244 20 30 DIEDRO N#CCC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000602579644 1038048616 /nfs/dbraw/zinc/04/86/16/1038048616.db2.gz COLYITFDDJWIKA-NQIIRXRSSA-N 1 0 319.452 4.148 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)c1ccccc1Br ZINC000602578451 1038048627 /nfs/dbraw/zinc/04/86/27/1038048627.db2.gz UVZAHTBDBACPPO-LBPRGKRZSA-N 1 0 309.251 4.214 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000060832858 1038052034 /nfs/dbraw/zinc/05/20/34/1038052034.db2.gz XAJSVJNALITDAS-UHFFFAOYSA-N 1 0 319.351 4.143 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602607616 1038052333 /nfs/dbraw/zinc/05/23/33/1038052333.db2.gz ZIVSIPOZCXXKHJ-UHFFFAOYSA-N 1 0 315.420 4.397 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CC1(F)F ZINC000602605583 1038054277 /nfs/dbraw/zinc/05/42/77/1038054277.db2.gz SHDRAMJBVYAHCB-SCLBCKFNSA-N 1 0 312.363 4.359 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000602651195 1038056041 /nfs/dbraw/zinc/05/60/41/1038056041.db2.gz RDRODDOKINNSKK-KSSFIOAISA-N 1 0 320.864 4.337 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000602651875 1038060134 /nfs/dbraw/zinc/06/01/34/1038060134.db2.gz ABDYEFWSMODEKK-QWRGUYRKSA-N 1 0 313.214 4.179 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000602669660 1038065332 /nfs/dbraw/zinc/06/53/32/1038065332.db2.gz JIZRZPNICPHBSX-ZDUSSCGKSA-N 1 0 315.392 4.086 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602680607 1038070463 /nfs/dbraw/zinc/07/04/63/1038070463.db2.gz PTTIPWYXSVCDIQ-ROPHOZQPSA-N 1 0 323.484 4.026 20 30 DIEDRO CC1(C)C[C@H]([NH2+]C2CCC(C#N)CC2)c2cc(F)ccc2O1 ZINC000602698334 1038070821 /nfs/dbraw/zinc/07/08/21/1038070821.db2.gz JRTBOXAZLMQNDS-PXCJXSSVSA-N 1 0 302.393 4.100 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1cncc(C#N)c1 ZINC001167487209 1038071293 /nfs/dbraw/zinc/07/12/93/1038071293.db2.gz HUTDZJZCFAUTAQ-FQEVSTJZSA-N 1 0 307.441 4.105 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc2ccsc21 ZINC000602699942 1038073245 /nfs/dbraw/zinc/07/32/45/1038073245.db2.gz PQZGRWXPSPMGLO-AWEZNQCLSA-N 1 0 314.454 4.090 20 30 DIEDRO CC(C)O[C@@H](C[NH2+]Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000602702120 1038073980 /nfs/dbraw/zinc/07/39/80/1038073980.db2.gz OSZCPHAWYSQJSL-FQEVSTJZSA-N 1 0 308.425 4.009 20 30 DIEDRO CC(C)O[C@H](C[NH2+]Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000602702121 1038074128 /nfs/dbraw/zinc/07/41/28/1038074128.db2.gz OSZCPHAWYSQJSL-HXUWFJFHSA-N 1 0 308.425 4.009 20 30 DIEDRO N#CCC1(C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)CC1 ZINC000602787675 1038087513 /nfs/dbraw/zinc/08/75/13/1038087513.db2.gz XFXGWNZILAWEDB-UHFFFAOYSA-N 1 0 311.404 4.180 20 30 DIEDRO N#CCC1(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000602787068 1038089306 /nfs/dbraw/zinc/08/93/06/1038089306.db2.gz ZWNKAAQVPGPDQC-AWEZNQCLSA-N 1 0 311.454 4.170 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(Cl)s3)CC2)nc1 ZINC000602906987 1038107182 /nfs/dbraw/zinc/10/71/82/1038107182.db2.gz KHEXJODSTCTPJC-UHFFFAOYSA-N 1 0 317.845 4.048 20 30 DIEDRO CC[N@H+](Cc1ccnn1C1CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891655764 1038110886 /nfs/dbraw/zinc/11/08/86/1038110886.db2.gz JQLVYGHXFOGGLC-HNNXBMFYSA-N 1 0 308.429 4.063 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000602957506 1038116975 /nfs/dbraw/zinc/11/69/75/1038116975.db2.gz VLHLARRZMQAGHU-UHFFFAOYSA-N 1 0 305.491 4.118 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000598602626 1038125552 /nfs/dbraw/zinc/12/55/52/1038125552.db2.gz QBMUZBVPLQFRLY-IAGOWNOFSA-N 1 0 320.452 4.193 20 30 DIEDRO CC[N@H+](Cc1cc2cnccc2o1)[C@H](C)c1ccc(C#N)cc1 ZINC000593568035 1038125946 /nfs/dbraw/zinc/12/59/46/1038125946.db2.gz SURPDCXYWWFYAV-CQSZACIVSA-N 1 0 305.381 4.283 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000598586062 1038126356 /nfs/dbraw/zinc/12/63/56/1038126356.db2.gz CZGLGRZMLHZWEW-FQEVSTJZSA-N 1 0 322.452 4.105 20 30 DIEDRO CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](CC)c1ccccc1 ZINC000598587668 1038128341 /nfs/dbraw/zinc/12/83/41/1038128341.db2.gz USNLAQIUVKUUDD-ZWKOTPCHSA-N 1 0 302.462 4.150 20 30 DIEDRO CC(C)C[N@H+](Cc1cc2cnccc2o1)Cc1ccc(C#N)cc1 ZINC000593571478 1038128739 /nfs/dbraw/zinc/12/87/39/1038128739.db2.gz UFDVUZKFWAGASU-UHFFFAOYSA-N 1 0 319.408 4.358 20 30 DIEDRO COc1ccc(F)c(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000598680027 1038150487 /nfs/dbraw/zinc/15/04/87/1038150487.db2.gz QYCMCDUINGABAH-HXUWFJFHSA-N 1 0 324.399 4.263 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CC(Cc3ccsc3)C2)cc1 ZINC000598678481 1038150650 /nfs/dbraw/zinc/15/06/50/1038150650.db2.gz QDXWLJUFIMNAHY-UHFFFAOYSA-N 1 0 310.466 4.224 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000598679368 1038151320 /nfs/dbraw/zinc/15/13/20/1038151320.db2.gz HJPUMTVLJJPNLJ-WFASDCNBSA-N 1 0 308.347 4.366 20 30 DIEDRO C=CCCC1(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CC1 ZINC000581968933 1038182750 /nfs/dbraw/zinc/18/27/50/1038182750.db2.gz INAUBVFQDJWTCJ-UHFFFAOYSA-N 1 0 323.440 4.330 20 30 DIEDRO COc1cc(C[NH2+]C2(c3ccccc3C)CCC2)ccc1C#N ZINC000593642461 1038190927 /nfs/dbraw/zinc/19/09/27/1038190927.db2.gz KVRXTLQQFNLBAI-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)nc1 ZINC000598990451 1038205236 /nfs/dbraw/zinc/20/52/36/1038205236.db2.gz FBCNCAOTQBVWHT-UHFFFAOYSA-N 1 0 319.452 4.013 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)s1 ZINC000562949093 1038219408 /nfs/dbraw/zinc/21/94/08/1038219408.db2.gz AZIUHHXGAOWORA-MRXNPFEDSA-N 1 0 302.830 4.440 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)s1 ZINC000599018540 1038220315 /nfs/dbraw/zinc/22/03/15/1038220315.db2.gz YERJLKROWYBRLZ-UHFFFAOYSA-N 1 0 310.344 4.014 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(-c2ccccc2)n(C)n1 ZINC000599046000 1038222707 /nfs/dbraw/zinc/22/27/07/1038222707.db2.gz FUUNGOHTRVYVEG-OAHLLOKOSA-N 1 0 310.445 4.068 20 30 DIEDRO CN(C)c1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000610614579 1038224137 /nfs/dbraw/zinc/22/41/37/1038224137.db2.gz UKECJDVRBOVFNA-NHCUHLMSSA-N 1 0 319.452 4.024 20 30 DIEDRO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000599053262 1038229830 /nfs/dbraw/zinc/22/98/30/1038229830.db2.gz RQVKKDIQWGTTQH-SGMGOOAPSA-N 1 0 307.235 4.100 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341704159 1038236145 /nfs/dbraw/zinc/23/61/45/1038236145.db2.gz DSAHGGFQZXDWEM-JLTOFOAXSA-N 1 0 306.409 4.295 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)C1 ZINC000599090557 1038237242 /nfs/dbraw/zinc/23/72/42/1038237242.db2.gz NCOVFWSLIKNMKX-DGCLKSJQSA-N 1 0 319.811 4.175 20 30 DIEDRO CCOc1ccccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341713226 1038243708 /nfs/dbraw/zinc/24/37/08/1038243708.db2.gz ZINOULXYTCKDQZ-IBGZPJMESA-N 1 0 306.409 4.124 20 30 DIEDRO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341757808 1038259611 /nfs/dbraw/zinc/25/96/11/1038259611.db2.gz LNSKLXRFIIDDAI-YWZLYKJASA-N 1 0 320.436 4.165 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341757051 1038261497 /nfs/dbraw/zinc/26/14/97/1038261497.db2.gz HICKSPHFECZVJN-LIRRHRJNSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000593718461 1038262486 /nfs/dbraw/zinc/26/24/86/1038262486.db2.gz HOZYRXRNQUCBOD-GZRFBZBPSA-N 1 0 324.399 4.268 20 30 DIEDRO CC(C)C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000599355643 1038272449 /nfs/dbraw/zinc/27/24/49/1038272449.db2.gz CVSYMNVZUIZNRA-IRXDYDNUSA-N 1 0 320.864 4.072 20 30 DIEDRO Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1C#N ZINC000599355628 1038273722 /nfs/dbraw/zinc/27/37/22/1038273722.db2.gz CNAMOGVKKJZHHO-UHFFFAOYSA-N 1 0 312.363 4.314 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1C#N ZINC000599354548 1038273746 /nfs/dbraw/zinc/27/37/46/1038273746.db2.gz QCMPDAWRPRPPIA-KRWDZBQOSA-N 1 0 319.452 4.318 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)c(C)c1OC ZINC000599418866 1038278419 /nfs/dbraw/zinc/27/84/19/1038278419.db2.gz BRXWTXVJFCKGNG-OAHLLOKOSA-N 1 0 324.424 4.043 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC[C@H]1Sc2ccccc2NC1=O ZINC000659948137 1038296249 /nfs/dbraw/zinc/29/62/49/1038296249.db2.gz SPTSIEAECCZJAO-QGZVFWFLSA-N 1 0 318.486 4.168 20 30 DIEDRO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)C1(F)F ZINC000599512157 1038298353 /nfs/dbraw/zinc/29/83/53/1038298353.db2.gz DLNRCORESSGTLN-OKILXGFUSA-N 1 0 306.400 4.211 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccccc3C)CC2)cc1OC ZINC000647224311 1038304522 /nfs/dbraw/zinc/30/45/22/1038304522.db2.gz AUDWAPJGHJIMAB-UHFFFAOYSA-N 1 0 323.436 4.347 20 30 DIEDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1F ZINC000599598150 1038319749 /nfs/dbraw/zinc/31/97/49/1038319749.db2.gz RFSPVTYLOKZYQM-UHFFFAOYSA-N 1 0 312.388 4.039 20 30 DIEDRO CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc(C)ccc1C ZINC000599645017 1038327671 /nfs/dbraw/zinc/32/76/71/1038327671.db2.gz LFWLZEHMEFWZIW-LJQANCHMSA-N 1 0 314.473 4.445 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCCCC#N ZINC000599653329 1038332469 /nfs/dbraw/zinc/33/24/69/1038332469.db2.gz UWVHTLPHSASCIQ-DZGCQCFKSA-N 1 0 321.262 4.321 20 30 DIEDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000599676983 1038333776 /nfs/dbraw/zinc/33/37/76/1038333776.db2.gz GEIZEACPENTTFU-KBXCAEBGSA-N 1 0 324.399 4.256 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610829927 1038372197 /nfs/dbraw/zinc/37/21/97/1038372197.db2.gz SONBJXUUMVFYAN-KGLIPLIRSA-N 1 0 309.369 4.187 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccco1 ZINC000796715627 1038393716 /nfs/dbraw/zinc/39/37/16/1038393716.db2.gz HDEMXKIBNNLIKU-SFHVURJKSA-N 1 0 307.397 4.262 20 30 DIEDRO N#Cc1c(F)cccc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065202223 1038404115 /nfs/dbraw/zinc/40/41/15/1038404115.db2.gz PALANVVSQOZEEJ-KRWDZBQOSA-N 1 0 323.415 4.021 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000098172519 1038417378 /nfs/dbraw/zinc/41/73/78/1038417378.db2.gz GCZMILMLRDSRQH-UHFFFAOYSA-N 1 0 322.452 4.010 20 30 DIEDRO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccnc(C#N)c1 ZINC000610991403 1038420482 /nfs/dbraw/zinc/42/04/82/1038420482.db2.gz ITROPJBYIPWSSW-UHFFFAOYSA-N 1 0 320.223 4.282 20 30 DIEDRO C[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1-c1ccccc1 ZINC000610992386 1038424544 /nfs/dbraw/zinc/42/45/44/1038424544.db2.gz ZWSILQGYVNGSPH-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO N#Cc1cc(C[N@@H+](Cc2cccc(F)c2)C2CCCC2)ccn1 ZINC000610993161 1038426347 /nfs/dbraw/zinc/42/63/47/1038426347.db2.gz FYPGTWXAXSSNNH-UHFFFAOYSA-N 1 0 309.388 4.037 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)ccn1 ZINC000610994080 1038426554 /nfs/dbraw/zinc/42/65/54/1038426554.db2.gz LJUOUXVSBKAKLT-OAQYLSRUSA-N 1 0 313.404 4.027 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)ccn1 ZINC000610994673 1038426624 /nfs/dbraw/zinc/42/66/24/1038426624.db2.gz MJQONWHLZYMDCX-XPTLAUCJSA-N 1 0 317.436 4.411 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CC[C@H]1c1ccccc1 ZINC001167499502 1038453780 /nfs/dbraw/zinc/45/37/80/1038453780.db2.gz JVIDBQZBGRDCML-DNVCBOLYSA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CC[C@@H]1c1ccccc1 ZINC001167499501 1038454129 /nfs/dbraw/zinc/45/41/29/1038454129.db2.gz JVIDBQZBGRDCML-BEFAXECRSA-N 1 0 308.400 4.323 20 30 DIEDRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC1(CC#N)CC1 ZINC000342153918 1038457265 /nfs/dbraw/zinc/45/72/65/1038457265.db2.gz BUXABFOTFGLFQR-UKTHLTGXSA-N 1 0 308.347 4.392 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(C)c1OC ZINC000342166242 1038460421 /nfs/dbraw/zinc/46/04/21/1038460421.db2.gz OCXZVMYSWVLFCT-SFHVURJKSA-N 1 0 324.424 4.147 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1C(F)(F)F ZINC000538429319 1038472551 /nfs/dbraw/zinc/47/25/51/1038472551.db2.gz AACHAMWTQRVXJO-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000538823952 1038497621 /nfs/dbraw/zinc/49/76/21/1038497621.db2.gz UNMHYZHQNABALJ-FCHUYYIVSA-N 1 0 314.432 4.451 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926344122 1038500139 /nfs/dbraw/zinc/50/01/39/1038500139.db2.gz VCTAQNHHDILHCB-WDMOLILDSA-N 1 0 319.392 4.399 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CCC)c1ncccc1Cl ZINC000926344052 1038500630 /nfs/dbraw/zinc/50/06/30/1038500630.db2.gz TZEYIDFYRQFSKL-KMFMINBZSA-N 1 0 308.853 4.147 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000605323239 1038507078 /nfs/dbraw/zinc/50/70/78/1038507078.db2.gz NTMXLDLWAUUGQC-MJGOQNOKSA-N 1 0 317.473 4.182 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCCc3ccc(C)cc32)ccc1C#N ZINC000342298416 1038521575 /nfs/dbraw/zinc/52/15/75/1038521575.db2.gz AGQHMPPFXYYHNS-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000342296831 1038522053 /nfs/dbraw/zinc/52/20/53/1038522053.db2.gz JMYDZNUYMVMKLP-UHFFFAOYSA-N 1 0 302.315 4.264 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000172115647 1038549356 /nfs/dbraw/zinc/54/93/56/1038549356.db2.gz QAMLSVLZHCSRIE-UHFFFAOYSA-N 1 0 311.450 4.100 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539606684 1038581175 /nfs/dbraw/zinc/58/11/75/1038581175.db2.gz UCQCWRZCRKSWQQ-MAUKXSAKSA-N 1 0 323.415 4.017 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000391498449 1038588744 /nfs/dbraw/zinc/58/87/44/1038588744.db2.gz UONXDNQBOSCFMV-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO CC[N@H+](Cc1c[nH]nc1C(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000119871352 1038591007 /nfs/dbraw/zinc/59/10/07/1038591007.db2.gz PUYQLCMNHNENDK-CQSZACIVSA-N 1 0 310.445 4.162 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000119900608 1038595608 /nfs/dbraw/zinc/59/56/08/1038595608.db2.gz NGWMKHDVHCKVGM-FQEVSTJZSA-N 1 0 324.399 4.337 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)ccc1F ZINC000119953545 1038604464 /nfs/dbraw/zinc/60/44/64/1038604464.db2.gz CHOLKSFGGCPESV-LJQANCHMSA-N 1 0 312.363 4.467 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168422190 1038621399 /nfs/dbraw/zinc/62/13/99/1038621399.db2.gz WHDCLGBVVLYEJI-HXUWFJFHSA-N 1 0 308.400 4.099 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@@H]3CCC4(CCCC4)O3)CCC2)cc1 ZINC000594033234 1038623059 /nfs/dbraw/zinc/62/30/59/1038623059.db2.gz LAXDOVIYZFPMGH-SFHVURJKSA-N 1 0 310.441 4.019 20 30 DIEDRO N#CCC[N@H+](CCCOc1cccc2ccccc21)CC1CC1 ZINC001167558955 1038624109 /nfs/dbraw/zinc/62/41/09/1038624109.db2.gz VGCLKELFFCJUTA-UHFFFAOYSA-N 1 0 308.425 4.234 20 30 DIEDRO COc1ccc(C)cc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033017 1038627503 /nfs/dbraw/zinc/62/75/03/1038627503.db2.gz VTURTLOWLVKCTL-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C=CCC[N@@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000606896521 1038636175 /nfs/dbraw/zinc/63/61/75/1038636175.db2.gz XREGPLNTGUDSMW-UHFFFAOYSA-N 1 0 317.864 4.210 20 30 DIEDRO C=CCC1([NH2+]Cc2nc(Cc3ccccc3)no2)CCCCC1 ZINC000625937104 1038658682 /nfs/dbraw/zinc/65/86/82/1038658682.db2.gz LOXTWAANDUJARV-UHFFFAOYSA-N 1 0 311.429 4.029 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@@H](CC)C2)cc(OC)c1O ZINC000607168223 1038660803 /nfs/dbraw/zinc/66/08/03/1038660803.db2.gz RXCYOKQFLBOREF-PBHICJAKSA-N 1 0 303.446 4.188 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000563367893 1038680263 /nfs/dbraw/zinc/68/02/63/1038680263.db2.gz QNVAJOJADVBIGW-ZFWWWQNUSA-N 1 0 307.235 4.108 20 30 DIEDRO CCCC[N@@H+]1Cc2cccc(N=Cc3cccc(OC)c3O)c2C1 ZINC000255515172 1038708009 /nfs/dbraw/zinc/70/80/09/1038708009.db2.gz QNQHCWIGMOSFJR-UHFFFAOYSA-N 1 0 324.424 4.267 20 30 DIEDRO C[C@@H](CCc1ccccc1)CN(CCC#N)Cc1cccnc1 ZINC000342682221 1038719359 /nfs/dbraw/zinc/71/93/59/1038719359.db2.gz WGVTVFLORABCEE-SFHVURJKSA-N 1 0 307.441 4.066 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000607749967 1038722833 /nfs/dbraw/zinc/72/28/33/1038722833.db2.gz ACEDDFSJBWVYEK-IBGZPJMESA-N 1 0 309.409 4.207 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000152869961 1038724135 /nfs/dbraw/zinc/72/41/35/1038724135.db2.gz RTNFPJOZFJRTPS-UHFFFAOYSA-N 1 0 309.384 4.007 20 30 DIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(CC#N)cc1)CCC2 ZINC000342736722 1038751787 /nfs/dbraw/zinc/75/17/87/1038751787.db2.gz QLTWMEVFRJUARN-QGZVFWFLSA-N 1 0 311.454 4.027 20 30 DIEDRO CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000342736482 1038752092 /nfs/dbraw/zinc/75/20/92/1038752092.db2.gz XQTQXVJXSOXMLI-KRWDZBQOSA-N 1 0 324.815 4.100 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC001167597876 1038754533 /nfs/dbraw/zinc/75/45/33/1038754533.db2.gz APCXIZGWAGAGMY-KRWDZBQOSA-N 1 0 309.400 4.037 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000657528439 1038763025 /nfs/dbraw/zinc/76/30/25/1038763025.db2.gz ANKRWUJJAPHOQU-RTBURBONSA-N 1 0 309.457 4.156 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000657531135 1038765035 /nfs/dbraw/zinc/76/50/35/1038765035.db2.gz XFWCYOPKALAXKU-HOCLYGCPSA-N 1 0 313.470 4.430 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000657530759 1038765834 /nfs/dbraw/zinc/76/58/34/1038765834.db2.gz SSAWJBXLKGAQEB-MNOVXSKESA-N 1 0 304.381 4.386 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000608054569 1038767242 /nfs/dbraw/zinc/76/72/42/1038767242.db2.gz NWXIOQIGTDFVAG-UHFFFAOYSA-N 1 0 303.352 4.134 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](CCCc2ccc(Br)cc2)CC1 ZINC001207321822 1038770637 /nfs/dbraw/zinc/77/06/37/1038770637.db2.gz ATOKBPFZKLFQIX-HNNXBMFYSA-N 1 0 321.262 4.007 20 30 DIEDRO COc1ccc(F)cc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751082 1038840789 /nfs/dbraw/zinc/84/07/89/1038840789.db2.gz LSYJIZGLANXURI-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO CC(C)[N@H+](CCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063750960 1038840922 /nfs/dbraw/zinc/84/09/22/1038840922.db2.gz IVAPZQWIRXYFFD-UHFFFAOYSA-N 1 0 308.425 4.238 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncsc1Br ZINC000661116598 1038855039 /nfs/dbraw/zinc/85/50/39/1038855039.db2.gz YXLSADUQUCSZHR-MNOVXSKESA-N 1 0 315.280 4.130 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000174331775 1038925191 /nfs/dbraw/zinc/92/51/91/1038925191.db2.gz ALAUFEGVYRWXAF-GOSISDBHSA-N 1 0 324.424 4.206 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000174331765 1038925338 /nfs/dbraw/zinc/92/53/38/1038925338.db2.gz ALAUFEGVYRWXAF-SFHVURJKSA-N 1 0 324.424 4.206 20 30 DIEDRO C=CCC1([NH2+]Cc2csc(-c3ccsc3)n2)CCOCC1 ZINC000657632881 1038931614 /nfs/dbraw/zinc/93/16/14/1038931614.db2.gz ALVXIKNXHQGKOX-UHFFFAOYSA-N 1 0 320.483 4.087 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000657658952 1038962435 /nfs/dbraw/zinc/96/24/35/1038962435.db2.gz LIKKPPBZCVEQHU-NSHDSACASA-N 1 0 318.280 4.062 20 30 DIEDRO C=CC[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc(Cl)s1 ZINC000065607609 1039009167 /nfs/dbraw/zinc/00/91/67/1039009167.db2.gz BUINIWVYOTXZGW-UHFFFAOYSA-N 1 0 315.866 4.121 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2[nH]cnc2c1 ZINC000534336450 1039041664 /nfs/dbraw/zinc/04/16/64/1039041664.db2.gz SMAHIXWXNSREHV-UHFFFAOYSA-N 1 0 318.424 4.093 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000091514054 1039052477 /nfs/dbraw/zinc/05/24/77/1039052477.db2.gz SAEIUHBFJZRGSY-MRXNPFEDSA-N 1 0 315.461 4.017 20 30 DIEDRO CN(Cc1ncc(-c2ccccc2)s1)Cc1cccc(C#N)c1 ZINC000122102748 1039064702 /nfs/dbraw/zinc/06/47/02/1039064702.db2.gz DZAKMJWAEYCGSH-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517842 1039068692 /nfs/dbraw/zinc/06/86/92/1039068692.db2.gz MVHHYJPXOCLAIO-JXFKEZNVSA-N 1 0 320.436 4.303 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccncc1Cl ZINC000594517700 1039069374 /nfs/dbraw/zinc/06/93/74/1039069374.db2.gz LZKQQRRHPWMAHB-CYBMUJFWSA-N 1 0 311.816 4.337 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035253563 1039083323 /nfs/dbraw/zinc/08/33/23/1039083323.db2.gz GIQFWIDGFCBUCP-GFCCVEGCSA-N 1 0 305.830 4.264 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1cccc(C#N)c1 ZINC000442670682 1039101785 /nfs/dbraw/zinc/10/17/85/1039101785.db2.gz DSEOONAMZKSKCW-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO CCCCCCCCCCCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC001127225809 1039132320 /nfs/dbraw/zinc/13/23/20/1039132320.db2.gz ATTKEJKTPDZGTC-HDICACEKSA-N 1 0 310.526 4.458 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Cc3ccccc3F)CC2)cc1C#N ZINC001167654179 1039151295 /nfs/dbraw/zinc/15/12/95/1039151295.db2.gz YDYJKQMBXDQIFJ-UHFFFAOYSA-N 1 0 322.427 4.461 20 30 DIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000218862067 1039180046 /nfs/dbraw/zinc/18/00/46/1039180046.db2.gz KHQWPYLNSXATNS-DLBZAZTESA-N 1 0 324.468 4.304 20 30 DIEDRO C=CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000154537840 1039199191 /nfs/dbraw/zinc/19/91/91/1039199191.db2.gz KJCNCBHUFYTQMP-UHFFFAOYSA-N 1 0 305.809 4.177 20 30 DIEDRO C=CC[N@@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000154781230 1039210004 /nfs/dbraw/zinc/21/00/04/1039210004.db2.gz WUOYLMMPEDOXRQ-UHFFFAOYSA-N 1 0 314.816 4.210 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2CC(C)(C)CCC#N)cc1OC ZINC000124690110 1039215372 /nfs/dbraw/zinc/21/53/72/1039215372.db2.gz QMDCWTNDSKWBTH-MRXNPFEDSA-N 1 0 316.445 4.171 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000278170858 1039241565 /nfs/dbraw/zinc/24/15/65/1039241565.db2.gz CKLXKOWJTMFANK-KBXCAEBGSA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000442889686 1039242054 /nfs/dbraw/zinc/24/20/54/1039242054.db2.gz FVFWWEKTVWSBHW-IERDGZPVSA-N 1 0 318.420 4.141 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CC)C(C)(C)C ZINC000539493917 1039268273 /nfs/dbraw/zinc/26/82/73/1039268273.db2.gz SBMHGAJCUOHEEL-INIZCTEOSA-N 1 0 320.502 4.318 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(SCC)cc2)CC1 ZINC000535991083 1039269979 /nfs/dbraw/zinc/26/99/79/1039269979.db2.gz RTXHKHYDTNVVSL-OAHLLOKOSA-N 1 0 304.503 4.100 20 30 DIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000539496131 1039271116 /nfs/dbraw/zinc/27/11/16/1039271116.db2.gz ILHMWXBWEGZMAS-KDOFPFPSSA-N 1 0 312.388 4.206 20 30 DIEDRO COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000539506951 1039272370 /nfs/dbraw/zinc/27/23/70/1039272370.db2.gz DRGBUGYESXOLAX-HNNXBMFYSA-N 1 0 308.425 4.195 20 30 DIEDRO CC(C)OCc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000539499994 1039273528 /nfs/dbraw/zinc/27/35/28/1039273528.db2.gz VQWTVKHJBWGVIB-INIZCTEOSA-N 1 0 308.425 4.334 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000539500322 1039275909 /nfs/dbraw/zinc/27/59/09/1039275909.db2.gz ZUIDYXJBUHNDBP-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO CC[C@H](C[C@@](C)(O)CC)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000926479172 1039278350 /nfs/dbraw/zinc/27/83/50/1039278350.db2.gz IGUDFYXBQPIILC-QRVBRYPASA-N 1 0 302.462 4.341 20 30 DIEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000539507603 1039282001 /nfs/dbraw/zinc/28/20/01/1039282001.db2.gz XDJKOBYBHAZSLA-CQSZACIVSA-N 1 0 304.846 4.384 20 30 DIEDRO CCO[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CCCC1 ZINC000539610320 1039298207 /nfs/dbraw/zinc/29/82/07/1039298207.db2.gz WBJNIYPCXBCQLK-IFXJQAMLSA-N 1 0 318.436 4.333 20 30 DIEDRO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000064140928 1039313397 /nfs/dbraw/zinc/31/33/97/1039313397.db2.gz WLYFLTXXQIIPQR-CYBMUJFWSA-N 1 0 316.351 4.353 20 30 DIEDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000443207856 1039332523 /nfs/dbraw/zinc/33/25/23/1039332523.db2.gz LFWOMFMDQSXGKK-WWMYMODYSA-N 1 0 321.468 4.209 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)cc1 ZINC000539818274 1039344904 /nfs/dbraw/zinc/34/49/04/1039344904.db2.gz OPOVEROGDLIWQP-GOSISDBHSA-N 1 0 323.436 4.250 20 30 DIEDRO CC(C)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000539836231 1039360507 /nfs/dbraw/zinc/36/05/07/1039360507.db2.gz WYWVUKXYWWMDOW-UHFFFAOYSA-N 1 0 300.446 4.237 20 30 DIEDRO CC[C@@H]([NH2+][C@H](CCOC)c1ccc(C)o1)c1ccc(C#N)cc1 ZINC000278356259 1039408946 /nfs/dbraw/zinc/40/89/46/1039408946.db2.gz BBTARLQBUJKPER-QZTJIDSGSA-N 1 0 312.413 4.278 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccc(C#N)cc1 ZINC000278369161 1039419957 /nfs/dbraw/zinc/41/99/57/1039419957.db2.gz BYDXWUCHTYDJQC-OALUTQOASA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@H](Cc1ccsc1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000540186361 1039441624 /nfs/dbraw/zinc/44/16/24/1039441624.db2.gz UIRYFTXBJIPQOV-CYBMUJFWSA-N 1 0 323.383 4.339 20 30 DIEDRO C=C(CC)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000540202523 1039449784 /nfs/dbraw/zinc/44/97/84/1039449784.db2.gz OWRDYGQBLOYWOA-UHFFFAOYSA-N 1 0 324.262 4.011 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000540317211 1039474223 /nfs/dbraw/zinc/47/42/23/1039474223.db2.gz IHUNVHWZCOZXRA-IAGOWNOFSA-N 1 0 307.359 4.225 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2F)C(C)C)cc1 ZINC000540341939 1039481424 /nfs/dbraw/zinc/48/14/24/1039481424.db2.gz FUEGAGPZTLOQOY-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1OC(F)F ZINC000540348744 1039483825 /nfs/dbraw/zinc/48/38/25/1039483825.db2.gz XWLDOIIDFDZPPZ-CYBMUJFWSA-N 1 0 319.326 4.129 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000540396129 1039487989 /nfs/dbraw/zinc/48/79/89/1039487989.db2.gz BCCFFLCGIQDDOT-QRWLVFNGSA-N 1 0 313.441 4.074 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)c2)c1 ZINC000583946394 1039516158 /nfs/dbraw/zinc/51/61/58/1039516158.db2.gz YWYWTFASPMCGRZ-WKCHPHFGSA-N 1 0 318.420 4.025 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Nc1ccccc1 ZINC000540595446 1039523855 /nfs/dbraw/zinc/52/38/55/1039523855.db2.gz UHFLAKAFKXAHAP-UZLBHIALSA-N 1 0 307.441 4.346 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Nc1ccccc1 ZINC000540595444 1039523991 /nfs/dbraw/zinc/52/39/91/1039523991.db2.gz UHFLAKAFKXAHAP-OXJNMPFZSA-N 1 0 307.441 4.346 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000540596835 1039524021 /nfs/dbraw/zinc/52/40/21/1039524021.db2.gz JLWRENUOFBAZPJ-INIZCTEOSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000540607074 1039525139 /nfs/dbraw/zinc/52/51/39/1039525139.db2.gz KYEBPUCKHSUISH-HNNXBMFYSA-N 1 0 323.396 4.140 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000340500165 1039534052 /nfs/dbraw/zinc/53/40/52/1039534052.db2.gz NMYBEYBMUDLKOO-JBACZVJFSA-N 1 0 302.421 4.329 20 30 DIEDRO COc1ccc(OC)c(C[N@H+](CCC(C)(C)C#N)C(C)(C)C)c1 ZINC000540665847 1039539723 /nfs/dbraw/zinc/53/97/23/1039539723.db2.gz UPAYNLPJQWBIDP-UHFFFAOYSA-N 1 0 318.461 4.244 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(C#N)c(F)c1 ZINC000540707081 1039545884 /nfs/dbraw/zinc/54/58/84/1039545884.db2.gz OKPICSWASXYIQG-AWEZNQCLSA-N 1 0 324.399 4.479 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000657817065 1039552930 /nfs/dbraw/zinc/55/29/30/1039552930.db2.gz MKSOUEOKJCIOHW-ROUUACIJSA-N 1 0 314.473 4.275 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1CNc1cccc(F)c1C#N ZINC000248256243 1039567982 /nfs/dbraw/zinc/56/79/82/1039567982.db2.gz OGKLZOREIZTBPW-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000584076799 1039593751 /nfs/dbraw/zinc/59/37/51/1039593751.db2.gz PCDSTPSFHVRVNS-LJQANCHMSA-N 1 0 324.424 4.159 20 30 DIEDRO C=C(C)C[C@@H](C)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000685269556 1039614992 /nfs/dbraw/zinc/61/49/92/1039614992.db2.gz XHJTZFOGFWORCI-OAHLLOKOSA-N 1 0 311.429 4.402 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccccc2)C(C)(C)C)c(C#N)c1 ZINC001137698188 1039628077 /nfs/dbraw/zinc/62/80/77/1039628077.db2.gz NEOOQQUNJGOMJJ-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(C#N)c(F)c1 ZINC000541566359 1039700926 /nfs/dbraw/zinc/70/09/26/1039700926.db2.gz LTDGZOOKYQTXPP-SNVBAGLBSA-N 1 0 322.305 4.008 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC(C)(C)C1 ZINC000541553492 1039702543 /nfs/dbraw/zinc/70/25/43/1039702543.db2.gz QSROVWZMEJWUQZ-INIZCTEOSA-N 1 0 300.446 4.237 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000541626864 1039719480 /nfs/dbraw/zinc/71/94/80/1039719480.db2.gz FNNKRCRARYZTCO-YLJYHZDGSA-N 1 0 309.453 4.124 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000464786067 1039757613 /nfs/dbraw/zinc/75/76/13/1039757613.db2.gz KBJPYYMZJJEVQD-HXUWFJFHSA-N 1 0 310.416 4.396 20 30 DIEDRO N#CCC1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000541952954 1039769364 /nfs/dbraw/zinc/76/93/64/1039769364.db2.gz ZNOUUFFDKCPXBR-UHFFFAOYSA-N 1 0 308.878 4.448 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(CC#N)cc1 ZINC000542202724 1039814294 /nfs/dbraw/zinc/81/42/94/1039814294.db2.gz WZQRJENCGHPHMN-UHFFFAOYSA-N 1 0 303.409 4.035 20 30 DIEDRO CCOCc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271901065 1039868234 /nfs/dbraw/zinc/86/82/34/1039868234.db2.gz AOGNRPQFLDHTHK-AWEZNQCLSA-N 1 0 312.388 4.085 20 30 DIEDRO COC[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C1CC1 ZINC000611870385 1039877313 /nfs/dbraw/zinc/87/73/13/1039877313.db2.gz KEIHGCGFWGYCTK-BTYIYWSLSA-N 1 0 320.436 4.301 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000271919606 1039893463 /nfs/dbraw/zinc/89/34/63/1039893463.db2.gz DGPGFNHXLYXUOJ-GTNSWQLSSA-N 1 0 314.335 4.011 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000271929034 1039901658 /nfs/dbraw/zinc/90/16/58/1039901658.db2.gz HIZXIKZUXVPHIW-GKCIPKSASA-N 1 0 324.399 4.268 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(c1ccccc1)c1ccccc1 ZINC000030531852 1039915164 /nfs/dbraw/zinc/91/51/64/1039915164.db2.gz VHTZMJPKAKVNLM-QZTJIDSGSA-N 1 0 317.436 4.240 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271961626 1039924496 /nfs/dbraw/zinc/92/44/96/1039924496.db2.gz RHJBVCGABBKRLV-ORAYPTAESA-N 1 0 324.399 4.434 20 30 DIEDRO Cc1csc(CCCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000271987795 1039952068 /nfs/dbraw/zinc/95/20/68/1039952068.db2.gz YKHJNEJMHGICNS-CYBMUJFWSA-N 1 0 317.433 4.136 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443974362 1039984479 /nfs/dbraw/zinc/98/44/79/1039984479.db2.gz TYTIUMUFNXMSQS-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657879618 1039987051 /nfs/dbraw/zinc/98/70/51/1039987051.db2.gz LWNUVZMBIDYGNW-CYBMUJFWSA-N 1 0 318.367 4.435 20 30 DIEDRO COc1ccc([C@H](C)CC[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443982893 1039991380 /nfs/dbraw/zinc/99/13/80/1039991380.db2.gz DYPTVBSOVFHRME-OAHLLOKOSA-N 1 0 308.425 4.159 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccccc2C(F)(F)F)ccc1C#N ZINC000443987897 1040001286 /nfs/dbraw/zinc/00/12/86/1040001286.db2.gz YNOAVAPSBWGSAP-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000444000609 1040012694 /nfs/dbraw/zinc/01/26/94/1040012694.db2.gz WLFJMTUAWFMWHA-XJKSGUPXSA-N 1 0 310.363 4.325 20 30 DIEDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000492818313 1040025207 /nfs/dbraw/zinc/02/52/07/1040025207.db2.gz NLSHZZGLGUNTGM-DOTOQJQBSA-N 1 0 324.428 4.057 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](CC)c1ccccc1 ZINC000685442380 1040048585 /nfs/dbraw/zinc/04/85/85/1040048585.db2.gz YKUDOOAQCDYZAU-KRWDZBQOSA-N 1 0 313.441 4.344 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1OC(Cl)(Cl)c1c(F)cccc1Cl ZINC001217833748 1040117921 /nfs/dbraw/zinc/11/79/21/1040117921.db2.gz ZEJNMFDTMDBFIU-LLVKDONJSA-N 1 0 324.610 4.002 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(OC)c3ccccc32)CC1 ZINC000177906992 1040146160 /nfs/dbraw/zinc/14/61/60/1040146160.db2.gz RVEJPPFOFULMEZ-MRXNPFEDSA-N 1 0 324.468 4.149 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000685629058 1040169735 /nfs/dbraw/zinc/16/97/35/1040169735.db2.gz SBHUKHHUWPWGQH-RTWAWAEBSA-N 1 0 323.436 4.261 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H](COC)CC1CCOCC1)c1ccccc1 ZINC000657931788 1040186991 /nfs/dbraw/zinc/18/69/91/1040186991.db2.gz SODVPIATIHGULS-WOJBJXKFSA-N 1 0 317.473 4.115 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC(F)(F)C1 ZINC000628233771 1040239994 /nfs/dbraw/zinc/23/99/94/1040239994.db2.gz UNAZEPPLDFISBR-LLVKDONJSA-N 1 0 317.301 4.080 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000658062347 1040286078 /nfs/dbraw/zinc/28/60/78/1040286078.db2.gz YNZIUUHYNBXKJI-IMJJTQAJSA-N 1 0 322.518 4.426 20 30 DIEDRO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000176983359 1040310120 /nfs/dbraw/zinc/31/01/20/1040310120.db2.gz XOSWRTJJVLFGJV-YXJHDRRASA-N 1 0 318.486 4.131 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000658207771 1040356002 /nfs/dbraw/zinc/35/60/02/1040356002.db2.gz XDIUDAPJCHXQTG-MRXNPFEDSA-N 1 0 312.413 4.117 20 30 DIEDRO CCCCCCCCC[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001167684442 1040397117 /nfs/dbraw/zinc/39/71/17/1040397117.db2.gz GNUGRFLOUHQMOH-IAGOWNOFSA-N 1 0 317.539 4.025 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(-c2ccccc2OC)no1 ZINC000658355847 1040437113 /nfs/dbraw/zinc/43/71/13/1040437113.db2.gz HKSHJQZMUHWWLA-CQSZACIVSA-N 1 0 300.402 4.185 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463755 1040464273 /nfs/dbraw/zinc/46/42/73/1040464273.db2.gz UAWMMBIETZAUTF-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)cs1)[C@H](C)c1cccc(OC)c1 ZINC000179470645 1040464327 /nfs/dbraw/zinc/46/43/27/1040464327.db2.gz BREHIPKPKDHBDX-CYBMUJFWSA-N 1 0 300.427 4.211 20 30 DIEDRO CC[N@H+](Cc1cnc2ccc(C)cn12)[C@H](C)c1ccc(C#N)cc1 ZINC000179464727 1040465171 /nfs/dbraw/zinc/46/51/71/1040465171.db2.gz JVXCMNPSLUHKES-MRXNPFEDSA-N 1 0 318.424 4.098 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000179602714 1040510982 /nfs/dbraw/zinc/51/09/82/1040510982.db2.gz MYBWMAJZPBTYDT-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO Cc1ccccc1C1CC(N(Cc2nc(C#N)cs2)C2CC2)C1 ZINC000356116257 1040539653 /nfs/dbraw/zinc/53/96/53/1040539653.db2.gz UPQJDIUDKQDMDL-UHFFFAOYSA-N 1 0 323.465 4.234 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cn2ccccc2c1C#N ZINC000065959605 1040627429 /nfs/dbraw/zinc/62/74/29/1040627429.db2.gz MZCLBRPETNXXBP-UHFFFAOYSA-N 1 0 315.420 4.042 20 30 DIEDRO COC1CCC(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000612574901 1040644018 /nfs/dbraw/zinc/64/40/18/1040644018.db2.gz UJVDBMQCQNBQDU-PKUWUEBNSA-N 1 0 312.457 4.121 20 30 DIEDRO C[N@H+](CCSc1ccc(C#N)cc1F)Cc1ccc(F)cc1 ZINC000612998836 1040755692 /nfs/dbraw/zinc/75/56/92/1040755692.db2.gz WZJBDEWSTGUFMY-UHFFFAOYSA-N 1 0 318.392 4.061 20 30 DIEDRO CC(C)c1ccc(C[C@H]2CC[N@H+](Cc3ccnc(C#N)c3)C2)cc1 ZINC000613130351 1040797857 /nfs/dbraw/zinc/79/78/57/1040797857.db2.gz NWDNSQSJSPTKGZ-LJQANCHMSA-N 1 0 319.452 4.141 20 30 DIEDRO CC(C)(C#N)C[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000613145811 1040801431 /nfs/dbraw/zinc/80/14/31/1040801431.db2.gz MHBMLHKEFCRTOE-FQEVSTJZSA-N 1 0 306.453 4.370 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000178054171 1040889386 /nfs/dbraw/zinc/88/93/86/1040889386.db2.gz MAFVICOVEVKGCN-GFCCVEGCSA-N 1 0 302.418 4.322 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000178089540 1040910552 /nfs/dbraw/zinc/91/05/52/1040910552.db2.gz HTFMANOIBNAYQV-OAHLLOKOSA-N 1 0 309.409 4.037 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000414160168 1040936659 /nfs/dbraw/zinc/93/66/59/1040936659.db2.gz XLLYGGDLNBLNSQ-KBPBESRZSA-N 1 0 312.388 4.426 20 30 DIEDRO C[N@@H+](CCCC#N)CCCCCc1cc(-c2ccccc2)no1 ZINC000170648632 1041001884 /nfs/dbraw/zinc/00/18/84/1041001884.db2.gz BCKZIBDBHWZSNY-UHFFFAOYSA-N 1 0 311.429 4.290 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCc2c1ccc(OC)c2F)c1ccncc1 ZINC000808696258 1041007401 /nfs/dbraw/zinc/00/74/01/1041007401.db2.gz OCJYKZCFFSFMPS-DLBZAZTESA-N 1 0 312.388 4.124 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000174834704 1041012308 /nfs/dbraw/zinc/01/23/08/1041012308.db2.gz VPIWIGZAPDEDFU-UHFFFAOYSA-N 1 0 314.473 4.040 20 30 DIEDRO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(OC(F)(F)F)c1 ZINC001143468612 1041059380 /nfs/dbraw/zinc/05/93/80/1041059380.db2.gz IPWUGEKVRUGFBQ-XMQYKBBCSA-N 1 0 324.346 4.160 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000414299005 1041095431 /nfs/dbraw/zinc/09/54/31/1041095431.db2.gz JDAXGRWYCSNYNC-AQNXPRMDSA-N 1 0 323.484 4.223 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000805336088 1041105027 /nfs/dbraw/zinc/10/50/27/1041105027.db2.gz DIPBKQBDLYMJPB-ROUUACIJSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000805336086 1041106158 /nfs/dbraw/zinc/10/61/58/1041106158.db2.gz DIPBKQBDLYMJPB-MSOLQXFVSA-N 1 0 308.510 4.212 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175953802 1041120002 /nfs/dbraw/zinc/12/00/02/1041120002.db2.gz VKJLTTSZOUHLCA-LJQANCHMSA-N 1 0 314.473 4.040 20 30 DIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000414346893 1041153221 /nfs/dbraw/zinc/15/32/21/1041153221.db2.gz VPIGODJRQKGUJD-IXDGSTSKSA-N 1 0 324.399 4.160 20 30 DIEDRO Cc1cccc(C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CC2)c1 ZINC000180559892 1041173121 /nfs/dbraw/zinc/17/31/21/1041173121.db2.gz CLKIIIJPJWOVLN-NRFANRHFSA-N 1 0 320.436 4.008 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2C)cc1 ZINC000809619908 1041198183 /nfs/dbraw/zinc/19/81/83/1041198183.db2.gz IFRRYSVJAXYBNT-UHFFFAOYSA-N 1 0 314.226 4.029 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)F)cc1 ZINC000809604555 1041203734 /nfs/dbraw/zinc/20/37/34/1041203734.db2.gz VWPPQURMIMQGIC-CYBMUJFWSA-N 1 0 301.336 4.120 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000809627125 1041205844 /nfs/dbraw/zinc/20/58/44/1041205844.db2.gz OJSWBRJMVAGQRG-ZDUSSCGKSA-N 1 0 319.326 4.417 20 30 DIEDRO CCCC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C1CCC1 ZINC000809766280 1041249310 /nfs/dbraw/zinc/24/93/10/1041249310.db2.gz WRSKHVNCQPBJMG-DNVCBOLYSA-N 1 0 300.446 4.426 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001158530209 1041282847 /nfs/dbraw/zinc/28/28/47/1041282847.db2.gz XUZDYZPWTBANMC-UYAOXDASSA-N 1 0 322.537 4.317 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000926810190 1041310353 /nfs/dbraw/zinc/31/03/53/1041310353.db2.gz RMFOFUFEEGRTKQ-XYPHTWIQSA-N 1 0 320.864 4.478 20 30 DIEDRO C=C(C)C[NH2+][C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000810133429 1041317210 /nfs/dbraw/zinc/31/72/10/1041317210.db2.gz HLDHSELDYJIEKS-KRWDZBQOSA-N 1 0 318.461 4.198 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccccc1 ZINC000810151148 1041327302 /nfs/dbraw/zinc/32/73/02/1041327302.db2.gz URVDIHJESMBZRS-KRWDZBQOSA-N 1 0 319.326 4.265 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc3sccc3c2)cc1 ZINC000810159862 1041328342 /nfs/dbraw/zinc/32/83/42/1041328342.db2.gz LHYRTHXLKUHJEN-UHFFFAOYSA-N 1 0 307.418 4.203 20 30 DIEDRO CCC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H](O)c1ccccc1 ZINC000810236964 1041354127 /nfs/dbraw/zinc/35/41/27/1041354127.db2.gz CIUSNYDFGRVKBA-QHAWAJNXSA-N 1 0 320.436 4.037 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000236640537 1041399225 /nfs/dbraw/zinc/39/92/25/1041399225.db2.gz OQQHIOHVMMGTHB-QGZVFWFLSA-N 1 0 303.494 4.389 20 30 DIEDRO N#CCC1(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)CC1 ZINC001170615281 1041440677 /nfs/dbraw/zinc/44/06/77/1041440677.db2.gz XKRKNTFIJSBUIO-HXUWFJFHSA-N 1 0 302.421 4.328 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(OCC#N)cc1 ZINC000053147940 1041442767 /nfs/dbraw/zinc/44/27/67/1041442767.db2.gz RFBMMNVGMANVKV-CYBMUJFWSA-N 1 0 300.789 4.093 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cc(C)nc2c1CCCC2)c1ccncc1 ZINC000892971827 1041445651 /nfs/dbraw/zinc/44/56/51/1041445651.db2.gz DIIKUQUQXUEXKV-LJQANCHMSA-N 1 0 307.441 4.071 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000728711392 1041473373 /nfs/dbraw/zinc/47/33/73/1041473373.db2.gz BNYVPHVMPCPHTC-MRXNPFEDSA-N 1 0 324.424 4.054 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@H](C)c2ccccc2)cc1 ZINC000728711932 1041479086 /nfs/dbraw/zinc/47/90/86/1041479086.db2.gz OXKONJZVXZNFFM-IAGOWNOFSA-N 1 0 308.425 4.261 20 30 DIEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728711736 1041479388 /nfs/dbraw/zinc/47/93/88/1041479388.db2.gz HWQZGOCHUFTQRR-MGPUTAFESA-N 1 0 306.409 4.063 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728713317 1041480406 /nfs/dbraw/zinc/48/04/06/1041480406.db2.gz ZDSMDAYEASPDKQ-HZPDHXFCSA-N 1 0 324.424 4.145 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000728712889 1041480889 /nfs/dbraw/zinc/48/08/89/1041480889.db2.gz BYBYBMXPADTMBX-XGXHKWSGSA-N 1 0 312.457 4.426 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000728712887 1041481002 /nfs/dbraw/zinc/48/10/02/1041481002.db2.gz BYBYBMXPADTMBX-QXCFHYIPSA-N 1 0 312.457 4.426 20 30 DIEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728715324 1041481928 /nfs/dbraw/zinc/48/19/28/1041481928.db2.gz WZEOCEQLLSDMFA-ATZDWAIDSA-N 1 0 300.446 4.282 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCCC1 ZINC000728715182 1041482459 /nfs/dbraw/zinc/48/24/59/1041482459.db2.gz OAOVLJQVYMNGSU-HNAYVOBHSA-N 1 0 300.446 4.426 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCC2)cc1 ZINC000728715215 1041482622 /nfs/dbraw/zinc/48/26/22/1041482622.db2.gz PYLVSFDDIUFKCL-OAHLLOKOSA-N 1 0 324.399 4.286 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1O ZINC000811489294 1041522766 /nfs/dbraw/zinc/52/27/66/1041522766.db2.gz DCYAYUYKMBCOII-LBPRGKRZSA-N 1 0 300.324 4.001 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000290649899 1041526509 /nfs/dbraw/zinc/52/65/09/1041526509.db2.gz ZBCHJXRVJCRWCK-GOSISDBHSA-N 1 0 308.429 4.016 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001170637799 1041538411 /nfs/dbraw/zinc/53/84/11/1041538411.db2.gz CXDDQXWRARFMAZ-CBGDNZLLSA-N 1 0 320.436 4.355 20 30 DIEDRO CCCC[NH+](CCCC)CCNc1ccc(CCC#N)cc1 ZINC001167733262 1041543788 /nfs/dbraw/zinc/54/37/88/1041543788.db2.gz QHVVAPNCOLODEZ-UHFFFAOYSA-N 1 0 301.478 4.457 20 30 DIEDRO C=CCCc1ccccc1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416223430 1041545791 /nfs/dbraw/zinc/54/57/91/1041545791.db2.gz HDFWWCWUDZYXCW-FQEVSTJZSA-N 1 0 322.452 4.437 20 30 DIEDRO C[N@H+](Cc1ccccc1)C1CCC(=NOC/C=C\Cl)CC1 ZINC000811669404 1041552894 /nfs/dbraw/zinc/55/28/94/1041552894.db2.gz DOQOPXDBLMFESY-ZYRNXCQESA-N 1 0 306.837 4.186 20 30 DIEDRO CC[N@H+](Cc1cn2cc(C)ccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000120249301 1041561258 /nfs/dbraw/zinc/56/12/58/1041561258.db2.gz BWXNIMXRMJQODT-INIZCTEOSA-N 1 0 318.424 4.098 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccc(C#N)cc1 ZINC001170655084 1041586481 /nfs/dbraw/zinc/58/64/81/1041586481.db2.gz OXLQVZJFJXAEJD-SJKOYZFVSA-N 1 0 312.363 4.045 20 30 DIEDRO CC(C)Oc1ccccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236677977 1041586963 /nfs/dbraw/zinc/58/69/63/1041586963.db2.gz RIXCBFODLYGGJA-MRXNPFEDSA-N 1 0 324.424 4.054 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(O)c(OC)c1 ZINC000014308548 1041594513 /nfs/dbraw/zinc/59/45/13/1041594513.db2.gz VGAGCYSFXVUGNS-LJQANCHMSA-N 1 0 323.436 4.466 20 30 DIEDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185824021 1041621718 /nfs/dbraw/zinc/62/17/18/1041621718.db2.gz ZFOWPWZUXUYWTA-MOPGFXCFSA-N 1 0 311.473 4.095 20 30 DIEDRO C=CCCCCC[C@H](C)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000812778825 1041646560 /nfs/dbraw/zinc/64/65/60/1041646560.db2.gz PHYXAECRIJSGLK-PXNSSMCTSA-N 1 0 316.489 4.190 20 30 DIEDRO C=CCCCCC[C@H](C)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000812778824 1041646636 /nfs/dbraw/zinc/64/66/36/1041646636.db2.gz PHYXAECRIJSGLK-FXAWDEMLSA-N 1 0 316.489 4.190 20 30 DIEDRO CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849048 1041656085 /nfs/dbraw/zinc/65/60/85/1041656085.db2.gz FWBNNIWGGLXYIW-SJLPKXTDSA-N 1 0 302.462 4.150 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417347363 1041663158 /nfs/dbraw/zinc/66/31/58/1041663158.db2.gz HADKLMMQFSSLML-DHSIGJKJSA-N 1 0 313.401 4.034 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1COCc2ccccc21 ZINC000417361305 1041664443 /nfs/dbraw/zinc/66/44/43/1041664443.db2.gz KPHNRAZRWMSSTG-LEWJYISDSA-N 1 0 318.420 4.187 20 30 DIEDRO CCC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417375923 1041667681 /nfs/dbraw/zinc/66/76/81/1041667681.db2.gz ZYMVILMFNCQNSO-WOJBJXKFSA-N 1 0 305.425 4.462 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2ccccc2F)cc1 ZINC000813792810 1041732080 /nfs/dbraw/zinc/73/20/80/1041732080.db2.gz XCCRWJAOEYMDNV-CQSZACIVSA-N 1 0 312.388 4.141 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2ccoc21 ZINC000418148779 1041732221 /nfs/dbraw/zinc/73/22/21/1041732221.db2.gz UBNOXDISSRLOEB-IBGZPJMESA-N 1 0 302.377 4.472 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc(C)c1O ZINC000418150570 1041732479 /nfs/dbraw/zinc/73/24/79/1041732479.db2.gz WJRSNRBOSXUOQM-IBGZPJMESA-N 1 0 306.409 4.048 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000566624235 1041750105 /nfs/dbraw/zinc/75/01/05/1041750105.db2.gz PNLOWVJCETUCBY-CJNGLKHVSA-N 1 0 308.347 4.342 20 30 DIEDRO C[C@H](C1CC1)[N@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000561842192 1041791155 /nfs/dbraw/zinc/79/11/55/1041791155.db2.gz VFUCUVJYEYTMRM-LLVKDONJSA-N 1 0 319.246 4.084 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000747917563 1041791588 /nfs/dbraw/zinc/79/15/88/1041791588.db2.gz ZVGHPCAVGNLDJJ-MXSMSXNCSA-N 1 0 300.446 4.282 20 30 DIEDRO CCOCCC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCCC1 ZINC000566767514 1041796390 /nfs/dbraw/zinc/79/63/90/1041796390.db2.gz JTBSIQWSMPZQJK-LJQANCHMSA-N 1 0 312.457 4.122 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccccc1 ZINC000814304805 1041808793 /nfs/dbraw/zinc/80/87/93/1041808793.db2.gz RQHKGWDLIIPWRX-FQEVSTJZSA-N 1 0 306.409 4.242 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c(O)c1 ZINC000814304777 1041808886 /nfs/dbraw/zinc/80/88/86/1041808886.db2.gz QYZMAZSCDAGDOQ-IBGZPJMESA-N 1 0 324.424 4.316 20 30 DIEDRO CC(=NNc1ccc2ccccc2n1)c1ccc(C[NH+](C)C)cc1 ZINC000814697467 1041851397 /nfs/dbraw/zinc/85/13/97/1041851397.db2.gz PPKUVWRAMDNKRS-UHFFFAOYSA-N 1 0 318.424 4.133 20 30 DIEDRO CC1(C)[C@@H]2C[C@H]([NH+]3CCC(C#N)(c4ccccc4F)CC3)C[C@@H]21 ZINC001170765232 1041863975 /nfs/dbraw/zinc/86/39/75/1041863975.db2.gz FNSSADHNPOFJSL-ACHSLPGTSA-N 1 0 312.432 4.117 20 30 DIEDRO C#Cc1ccc(NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)cc1 ZINC001134708809 1041876957 /nfs/dbraw/zinc/87/69/57/1041876957.db2.gz QDMREZOVCJYKPD-UHFFFAOYSA-N 1 0 320.436 4.151 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000651744974 1041901614 /nfs/dbraw/zinc/90/16/14/1041901614.db2.gz WGYFFDVQNAKEPU-ZMSDIMECSA-N 1 0 311.429 4.175 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N(CC)CC)cc2)C1 ZINC000651749950 1041901845 /nfs/dbraw/zinc/90/18/45/1041901845.db2.gz PTSXSFNGFNLTNQ-QFBILLFUSA-N 1 0 314.473 4.003 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815010623 1041903160 /nfs/dbraw/zinc/90/31/60/1041903160.db2.gz LYPWZGFRLJIGMF-MRXNPFEDSA-N 1 0 313.422 4.216 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C1 ZINC000651752862 1041904510 /nfs/dbraw/zinc/90/45/10/1041904510.db2.gz XCSWEUVQXMEOQV-HUUCEWRRSA-N 1 0 313.470 4.082 20 30 DIEDRO CC(C)(C)c1csc(C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000815031975 1041907622 /nfs/dbraw/zinc/90/76/22/1041907622.db2.gz MFSMQYICNSMDPZ-UKRRQHHQSA-N 1 0 317.502 4.312 20 30 DIEDRO C=CCC(F)(F)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000815035829 1041908219 /nfs/dbraw/zinc/90/82/19/1041908219.db2.gz PBUVUTZHQNREAF-AWEZNQCLSA-N 1 0 322.399 4.211 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815092597 1041912425 /nfs/dbraw/zinc/91/24/25/1041912425.db2.gz LWDQQYBAKQZJPM-XPKDYRNWSA-N 1 0 308.347 4.187 20 30 DIEDRO C[C@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1cccc(C#N)c1 ZINC000815082905 1041912575 /nfs/dbraw/zinc/91/25/75/1041912575.db2.gz ITQKSELOLUCDKM-BTYIYWSLSA-N 1 0 316.404 4.096 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815092594 1041912841 /nfs/dbraw/zinc/91/28/41/1041912841.db2.gz LWDQQYBAKQZJPM-INWMFGNUSA-N 1 0 308.347 4.187 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000661379082 1041929542 /nfs/dbraw/zinc/92/95/42/1041929542.db2.gz SGFRMOTUCMASNF-CYBMUJFWSA-N 1 0 317.820 4.178 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccccc1C(C)(C)C#N ZINC000487354395 1041935316 /nfs/dbraw/zinc/93/53/16/1041935316.db2.gz GELHCHWGTZLXEI-UHFFFAOYSA-N 1 0 310.416 4.301 20 30 DIEDRO Cc1ccc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)cc1C#N ZINC001170781665 1041940939 /nfs/dbraw/zinc/94/09/39/1041940939.db2.gz AXZWWYHFQWRPTB-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC001649144729 1041949985 /nfs/dbraw/zinc/94/99/85/1041949985.db2.gz KFGAMERYWMYJIP-AEFFLSMTSA-N 1 0 310.441 4.338 20 30 DIEDRO C#CCCCCCC[N@H+](CCN1CCCCCC1)C1CCC1 ZINC001170784697 1041950027 /nfs/dbraw/zinc/95/00/27/1041950027.db2.gz WKQCANOLIYRJQG-UHFFFAOYSA-N 1 0 304.522 4.301 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815593941 1041968884 /nfs/dbraw/zinc/96/88/84/1041968884.db2.gz BOIOGWPGDMBYCS-KRWDZBQOSA-N 1 0 301.817 4.408 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652196322 1041974382 /nfs/dbraw/zinc/97/43/82/1041974382.db2.gz PBBNKBPCJOWGTB-GJZGRUSLSA-N 1 0 307.434 4.108 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815625210 1041977731 /nfs/dbraw/zinc/97/77/31/1041977731.db2.gz XFBCMBKYJQQSBA-INIZCTEOSA-N 1 0 311.425 4.425 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000815630428 1041978639 /nfs/dbraw/zinc/97/86/39/1041978639.db2.gz JRDBIUCPRUAFPT-KKSFZXQISA-N 1 0 320.436 4.433 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](CC)C(C)(C)O)cc1 ZINC000815652356 1041985313 /nfs/dbraw/zinc/98/53/13/1041985313.db2.gz ZFCDDTPAKCKDIX-CZUORRHYSA-N 1 0 311.853 4.018 20 30 DIEDRO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)(C)C ZINC000661755399 1041990343 /nfs/dbraw/zinc/99/03/43/1041990343.db2.gz PQLSICRXIJLJIM-UHFFFAOYSA-N 1 0 305.809 4.177 20 30 DIEDRO C=CCC1([NH2+]Cc2ncc(-c3ccc(OC)cc3)o2)CCCC1 ZINC000661849614 1042005707 /nfs/dbraw/zinc/00/57/07/1042005707.db2.gz XTWIBUDDDJOGKG-UHFFFAOYSA-N 1 0 312.413 4.329 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000662080263 1042057876 /nfs/dbraw/zinc/05/78/76/1042057876.db2.gz OJQPIYWRUFHNTA-GASCZTMLSA-N 1 0 315.804 4.073 20 30 DIEDRO C#CC[N@H+](Cc1conc1Cc1ccccc1)C1CCCCC1 ZINC000816497829 1042059965 /nfs/dbraw/zinc/05/99/65/1042059965.db2.gz UMXFSDTXZUVPCJ-UHFFFAOYSA-N 1 0 308.425 4.033 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1Cl ZINC000816601066 1042071393 /nfs/dbraw/zinc/07/13/93/1042071393.db2.gz QBBPCENUCDXGFT-UHFFFAOYSA-N 1 0 322.795 4.360 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccc(Cl)cc1F ZINC000816608294 1042071995 /nfs/dbraw/zinc/07/19/95/1042071995.db2.gz VRXQTVFDKJDVMK-KPZWWZAWSA-N 1 0 317.791 4.080 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000816619702 1042074977 /nfs/dbraw/zinc/07/49/77/1042074977.db2.gz QZKADMQWYPHQDK-YLJYHZDGSA-N 1 0 320.436 4.357 20 30 DIEDRO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000599635687 1042077428 /nfs/dbraw/zinc/07/74/28/1042077428.db2.gz KBRFGRHXHAMBHB-HNNXBMFYSA-N 1 0 307.235 4.198 20 30 DIEDRO N#CCOc1ccc(Nc2ccccc2C[NH+]2CCCCC2)cc1 ZINC001212609120 1042096938 /nfs/dbraw/zinc/09/69/38/1042096938.db2.gz WLQKBIBBXMIWTJ-UHFFFAOYSA-N 1 0 321.424 4.318 20 30 DIEDRO CC(C)[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccsc1 ZINC000817287256 1042100134 /nfs/dbraw/zinc/10/01/34/1042100134.db2.gz LUKYDKWHQQKMEP-KSSFIOAISA-N 1 0 314.454 4.125 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000817584284 1042117561 /nfs/dbraw/zinc/11/75/61/1042117561.db2.gz ANHUSICZTZWGPV-NSHDSACASA-N 1 0 315.280 4.159 20 30 DIEDRO CCCCCCCCCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000818001535 1042133796 /nfs/dbraw/zinc/13/37/96/1042133796.db2.gz LTDWNNRQRQCUBR-MSOLQXFVSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000818170038 1042141917 /nfs/dbraw/zinc/14/19/17/1042141917.db2.gz KXESTAKAKSBJCV-IBGZPJMESA-N 1 0 308.510 4.071 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@@H]2CCc3cccc(Cl)c3C2)cc1C ZINC001170912723 1042158338 /nfs/dbraw/zinc/15/83/38/1042158338.db2.gz AGXFWHYWQFLPRB-MRXNPFEDSA-N 1 0 312.844 4.220 20 30 DIEDRO C=C(C)CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001136228562 1042185398 /nfs/dbraw/zinc/18/53/98/1042185398.db2.gz OLDOCOVNIXSYJY-KRWDZBQOSA-N 1 0 314.473 4.034 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC001170929780 1042187566 /nfs/dbraw/zinc/18/75/66/1042187566.db2.gz LYNIYUMQQGLROJ-HXUWFJFHSA-N 1 0 313.485 4.454 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170941906 1042202199 /nfs/dbraw/zinc/20/21/99/1042202199.db2.gz GUFRVWOKLGWMTD-QGZVFWFLSA-N 1 0 310.828 4.201 20 30 DIEDRO CC[NH+](CC)Cc1cc(N[C@H]2CC[C@H](C#N)CC2)ccc1OC ZINC001167845216 1042264334 /nfs/dbraw/zinc/26/43/34/1042264334.db2.gz IETADLSDLLOCBC-JCNLHEQBSA-N 1 0 315.461 4.031 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(F)cc2C#N)C(C)C)cc1 ZINC000182057060 1042265254 /nfs/dbraw/zinc/26/52/54/1042265254.db2.gz WSWUZNWNERYOHB-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000822456817 1042287181 /nfs/dbraw/zinc/28/71/81/1042287181.db2.gz VBJYTXDVVSTQIV-RDJZCZTQSA-N 1 0 314.479 4.270 20 30 DIEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001170990255 1042291479 /nfs/dbraw/zinc/29/14/79/1042291479.db2.gz JSKJRWBZVARYAK-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H]2CF)c1 ZINC000572024174 1042300611 /nfs/dbraw/zinc/30/06/11/1042300611.db2.gz BZYFXWOAKJXPIV-LJQANCHMSA-N 1 0 324.399 4.071 20 30 DIEDRO CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1NCCCS ZINC001171003073 1042310215 /nfs/dbraw/zinc/31/02/15/1042310215.db2.gz ICSWVSCXPFMJHN-UHFFFAOYSA-N 1 0 320.424 4.279 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000163319514 1042310615 /nfs/dbraw/zinc/31/06/15/1042310615.db2.gz DUHKYIXTPKYRDI-SMDDNHRTSA-N 1 0 310.235 4.217 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001171006491 1042314058 /nfs/dbraw/zinc/31/40/58/1042314058.db2.gz HTEMYBXJLZPKSO-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000436302967 1042326751 /nfs/dbraw/zinc/32/67/51/1042326751.db2.gz BEPCXEQWOFPFHQ-RCBQFDQVSA-N 1 0 323.889 4.448 20 30 DIEDRO CC1(C)C[C@H](c2ccccc2)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000823643776 1042336301 /nfs/dbraw/zinc/33/63/01/1042336301.db2.gz RUTFNAVZMPLZCW-WOJBJXKFSA-N 1 0 320.436 4.065 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc2ccc(F)c(F)c2n1)c1ccc(C#N)cc1 ZINC001648946263 1042352283 /nfs/dbraw/zinc/35/22/83/1042352283.db2.gz MCLJJPCPRNCGMZ-GFCCVEGCSA-N 1 0 323.346 4.235 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187422399 1042353198 /nfs/dbraw/zinc/35/31/98/1042353198.db2.gz ZEPZSQUCEKTOFL-GHMZBOCLSA-N 1 0 315.230 4.379 20 30 DIEDRO CC(C)Oc1ccccc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236677943 1042370479 /nfs/dbraw/zinc/37/04/79/1042370479.db2.gz RIXCBFODLYGGJA-INIZCTEOSA-N 1 0 324.424 4.054 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCc1cn(-c2ccccc2)nc1C ZINC000557248234 1042373864 /nfs/dbraw/zinc/37/38/64/1042373864.db2.gz XRBYJDHALWDJLN-DLBZAZTESA-N 1 0 311.473 4.304 20 30 DIEDRO N#CCCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237953820 1042381279 /nfs/dbraw/zinc/38/12/79/1042381279.db2.gz GXOXKMWGLAHIRL-UHFFFAOYSA-N 1 0 315.398 4.107 20 30 DIEDRO COc1c(F)cccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001143536774 1042391477 /nfs/dbraw/zinc/39/14/77/1042391477.db2.gz ILKUPQKKJIKPFQ-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H](CCO)c1ccccc1 ZINC000614168829 1042419973 /nfs/dbraw/zinc/41/99/73/1042419973.db2.gz WOHLZENIGFIAGB-HXUWFJFHSA-N 1 0 322.452 4.043 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000614168527 1042420381 /nfs/dbraw/zinc/42/03/81/1042420381.db2.gz HYIZNVNHWSNXIE-UHFFFAOYSA-N 1 0 312.457 4.023 20 30 DIEDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614170509 1042421319 /nfs/dbraw/zinc/42/13/19/1042421319.db2.gz APBWSKSAIHWDQR-IBGZPJMESA-N 1 0 307.441 4.163 20 30 DIEDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173964 1042421607 /nfs/dbraw/zinc/42/16/07/1042421607.db2.gz DEEFQNUHRILQIY-HNNXBMFYSA-N 1 0 308.425 4.386 20 30 DIEDRO COc1ccccc1CN(CCCC#N)Cc1cccs1 ZINC000067128095 1042421829 /nfs/dbraw/zinc/42/18/29/1042421829.db2.gz ZHJVAQVWVCYQLC-UHFFFAOYSA-N 1 0 300.427 4.063 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@@H](CC)C2)c1 ZINC000236948064 1042422358 /nfs/dbraw/zinc/42/23/58/1042422358.db2.gz FHDLNLVIXITUCD-BPQIPLTHSA-N 1 0 300.446 4.426 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000614179369 1042423319 /nfs/dbraw/zinc/42/33/19/1042423319.db2.gz PYXYVTMKAGMCEB-FQEVSTJZSA-N 1 0 322.452 4.091 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000614179319 1042423486 /nfs/dbraw/zinc/42/34/86/1042423486.db2.gz NYZUAUGQLAKAQI-UHFFFAOYSA-N 1 0 315.420 4.138 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1c(C)nn(C)c1C ZINC000614185207 1042424830 /nfs/dbraw/zinc/42/48/30/1042424830.db2.gz UUTBGXLUGUOTTO-SFHVURJKSA-N 1 0 324.472 4.079 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1)c1nccs1 ZINC000614183904 1042424907 /nfs/dbraw/zinc/42/49/07/1042424907.db2.gz NECCMANXPGVRNW-AWEZNQCLSA-N 1 0 313.470 4.180 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1c(C)nn(C)c1C ZINC000614185206 1042425000 /nfs/dbraw/zinc/42/50/00/1042425000.db2.gz UUTBGXLUGUOTTO-GOSISDBHSA-N 1 0 324.472 4.079 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235806 1042442590 /nfs/dbraw/zinc/44/25/90/1042442590.db2.gz IAGUITZUWWNYFB-KRWDZBQOSA-N 1 0 324.472 4.078 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](CC)c2ccc(F)cc2F)cc1 ZINC000237013948 1042455506 /nfs/dbraw/zinc/45/55/06/1042455506.db2.gz BVDWRMQBRIZDIR-LJQANCHMSA-N 1 0 315.363 4.218 20 30 DIEDRO CCC1([NH2+]Cc2ccc(Br)cc2C#N)CCCC1 ZINC000382553582 1042459136 /nfs/dbraw/zinc/45/91/36/1042459136.db2.gz IPFRRYYFNJMMLD-UHFFFAOYSA-N 1 0 307.235 4.133 20 30 DIEDRO N#CC1(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CCCCC1 ZINC000411659707 1042459482 /nfs/dbraw/zinc/45/94/82/1042459482.db2.gz HMRWPAWZNWBPPT-IPMKNSEASA-N 1 0 318.505 4.256 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419290391 1042461371 /nfs/dbraw/zinc/46/13/71/1042461371.db2.gz VHLUQURBEWQFNC-UHFFFAOYSA-N 1 0 312.457 4.021 20 30 DIEDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000614396115 1042489874 /nfs/dbraw/zinc/48/98/74/1042489874.db2.gz WUTRMKBRQVURAK-UHFFFAOYSA-N 1 0 314.816 4.161 20 30 DIEDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000614397335 1042489901 /nfs/dbraw/zinc/48/99/01/1042489901.db2.gz LWBYZKUNISPUJF-UHFFFAOYSA-N 1 0 307.441 4.122 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1C)[C@H](C)c1cccc(OC)c1 ZINC000614397563 1042490604 /nfs/dbraw/zinc/49/06/04/1042490604.db2.gz DZZOWKHVNXSDHP-MRXNPFEDSA-N 1 0 308.425 4.458 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000614402613 1042491806 /nfs/dbraw/zinc/49/18/06/1042491806.db2.gz NDNZWIFVEVWCMT-UHFFFAOYSA-N 1 0 300.471 4.118 20 30 DIEDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)[C@H](C)CO1 ZINC000614402243 1042492033 /nfs/dbraw/zinc/49/20/33/1042492033.db2.gz OHKICWLYEWOUBT-DYESRHJHSA-N 1 0 320.436 4.137 20 30 DIEDRO Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000614400943 1042492714 /nfs/dbraw/zinc/49/27/14/1042492714.db2.gz PJNWNSXRBYJJRZ-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO CCc1ccc([C@@H]2CCC[N@H+](CCCSCC#N)C2)cc1 ZINC000513392821 1042537080 /nfs/dbraw/zinc/53/70/80/1042537080.db2.gz YHZNCRWLCIUESE-GOSISDBHSA-N 1 0 302.487 4.075 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000513442440 1042542431 /nfs/dbraw/zinc/54/24/31/1042542431.db2.gz GWAHNTVINHMOHC-RMYJWEKJSA-N 1 0 305.849 4.157 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)s1 ZINC000513509624 1042548817 /nfs/dbraw/zinc/54/88/17/1042548817.db2.gz UMCALEQOOZYPSL-MRXNPFEDSA-N 1 0 300.402 4.404 20 30 DIEDRO C=CCC[C@H]([NH2+]CCn1c(C)nc2ccccc21)c1ccco1 ZINC000513672069 1042558325 /nfs/dbraw/zinc/55/83/25/1042558325.db2.gz IMRWEKGLPPOMQT-KRWDZBQOSA-N 1 0 309.413 4.235 20 30 DIEDRO CCC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCC1 ZINC000513696717 1042575262 /nfs/dbraw/zinc/57/52/62/1042575262.db2.gz CQUCXYFKWMULAE-UHFFFAOYSA-N 1 0 311.473 4.087 20 30 DIEDRO C=CCOCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000679576827 1042575823 /nfs/dbraw/zinc/57/58/23/1042575823.db2.gz VXPOBUBYXQHLOQ-SFHVURJKSA-N 1 0 301.817 4.222 20 30 DIEDRO CC(C)CN(CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000739914297 1042587953 /nfs/dbraw/zinc/58/79/53/1042587953.db2.gz HJFVOUNGBZOXLX-UHFFFAOYSA-N 1 0 323.440 4.032 20 30 DIEDRO N#CC1CCC(C[NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000894246392 1042594130 /nfs/dbraw/zinc/59/41/30/1042594130.db2.gz LKEUFSYYJDTQJD-UHFFFAOYSA-N 1 0 304.384 4.130 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 ZINC000618803408 1042600054 /nfs/dbraw/zinc/60/00/54/1042600054.db2.gz IJVWZLNWCYMLEQ-LHSJRXKWSA-N 1 0 302.421 4.385 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)cc1F ZINC000421362311 1042632653 /nfs/dbraw/zinc/63/26/53/1042632653.db2.gz ITPPTKRTGCCTMM-UONOGXRCSA-N 1 0 314.326 4.156 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cc(C)ccc1OC ZINC000421881630 1042661051 /nfs/dbraw/zinc/66/10/51/1042661051.db2.gz PCJDGPBRUMRPFS-MRXNPFEDSA-N 1 0 300.427 4.178 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)s1 ZINC000421895466 1042662222 /nfs/dbraw/zinc/66/22/22/1042662222.db2.gz YOVRTCRQORUMBC-GOSISDBHSA-N 1 0 324.449 4.112 20 30 DIEDRO C=CCN(Cc1ccccc1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000513789412 1042686698 /nfs/dbraw/zinc/68/66/98/1042686698.db2.gz HWXUNQTVNHKELU-MRXNPFEDSA-N 1 0 319.408 4.486 20 30 DIEDRO N#CC1(c2ccccc2)CCC(Nc2ccc3c(c2)CCN3)CC1 ZINC000423219947 1042701556 /nfs/dbraw/zinc/70/15/56/1042701556.db2.gz UYDDUZASIAXUDP-UHFFFAOYSA-N 1 0 317.436 4.471 20 30 DIEDRO CC(C)c1ccc([C@H](N)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000423247979 1042702917 /nfs/dbraw/zinc/70/29/17/1042702917.db2.gz RAVFWYZYAKRRAX-MGPUTAFESA-N 1 0 307.441 4.032 20 30 DIEDRO Cc1cc(N)cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000423486119 1042716336 /nfs/dbraw/zinc/71/63/36/1042716336.db2.gz VXYDODOQPRFXMN-HXUWFJFHSA-N 1 0 305.425 4.006 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000048162288 1042719860 /nfs/dbraw/zinc/71/98/60/1042719860.db2.gz PBSOCKACYMECHW-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000424145887 1042726538 /nfs/dbraw/zinc/72/65/38/1042726538.db2.gz VQQQRJUTMJLNCG-GMXABZIVSA-N 1 0 300.229 4.235 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000424134775 1042727107 /nfs/dbraw/zinc/72/71/07/1042727107.db2.gz IMALOYXZSLQUGN-BPUTZDHNSA-N 1 0 324.262 4.081 20 30 DIEDRO CC(C)C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000424184733 1042728718 /nfs/dbraw/zinc/72/87/18/1042728718.db2.gz FMBWKAUCFVBCMC-MDCZIUGASA-N 1 0 322.493 4.052 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000424293389 1042731173 /nfs/dbraw/zinc/73/11/73/1042731173.db2.gz IOVVGUORCWSJLJ-JQFCIGGWSA-N 1 0 321.848 4.043 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000424292495 1042731323 /nfs/dbraw/zinc/73/13/23/1042731323.db2.gz GWRUEOQVLHGZOB-XUJVJEKNSA-N 1 0 305.805 4.328 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000424300471 1042731956 /nfs/dbraw/zinc/73/19/56/1042731956.db2.gz XVJJQLVVYXRSAF-KMFMINBZSA-N 1 0 314.454 4.052 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000424332556 1042734264 /nfs/dbraw/zinc/73/42/64/1042734264.db2.gz SZYVNHJMJAPHBT-ABSDTBQOSA-N 1 0 304.437 4.489 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424358631 1042736806 /nfs/dbraw/zinc/73/68/06/1042736806.db2.gz XMLVWFWUJNLRAT-MRXNPFEDSA-N 1 0 313.470 4.346 20 30 DIEDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000514183614 1042771815 /nfs/dbraw/zinc/77/18/15/1042771815.db2.gz NPXMJNRVZZSISP-LJQANCHMSA-N 1 0 308.400 4.213 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000514814622 1042792792 /nfs/dbraw/zinc/79/27/92/1042792792.db2.gz SQYYFARVSWRLQE-FQEVSTJZSA-N 1 0 315.420 4.249 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CC=CCC1 ZINC000515023687 1042805143 /nfs/dbraw/zinc/80/51/43/1042805143.db2.gz LWDSCSVJVOYJIR-ZDUSSCGKSA-N 1 0 308.347 4.365 20 30 DIEDRO C=CCC(C)(C)C(=O)N1CC2(CC[N@H+]2C[C@@H](CC)CCCC)C1 ZINC001269976789 1042807054 /nfs/dbraw/zinc/80/70/54/1042807054.db2.gz BESAUYDHTSPVOC-KRWDZBQOSA-N 1 0 320.521 4.092 20 30 DIEDRO N#Cc1c(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cn2ccccc12 ZINC000515123756 1042809422 /nfs/dbraw/zinc/80/94/22/1042809422.db2.gz NRWFLRFKTFZXQW-LJQANCHMSA-N 1 0 315.420 4.018 20 30 DIEDRO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(CCC#N)CC3)o2)cc1 ZINC000515379834 1042818059 /nfs/dbraw/zinc/81/80/59/1042818059.db2.gz VZIZCHGLTBWXOP-HNNXBMFYSA-N 1 0 324.428 4.122 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000515455919 1042821176 /nfs/dbraw/zinc/82/11/76/1042821176.db2.gz YZZSNPDFTYRSAK-DYESRHJHSA-N 1 0 321.468 4.119 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)ccc1C#N ZINC000515559921 1042827583 /nfs/dbraw/zinc/82/75/83/1042827583.db2.gz RFJYYXKMMMNRCF-CQSZACIVSA-N 1 0 320.392 4.472 20 30 DIEDRO CCCCCCCCC(=O)N1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001270164283 1042847374 /nfs/dbraw/zinc/84/73/74/1042847374.db2.gz TYYMLTKTSXAFPC-IBGZPJMESA-N 1 0 308.510 4.071 20 30 DIEDRO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1ccc(C#N)cn1)C(C)C ZINC000516875663 1042857819 /nfs/dbraw/zinc/85/78/19/1042857819.db2.gz UYQHZQOJQNNLML-IBGZPJMESA-N 1 0 319.408 4.495 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000516893933 1042859092 /nfs/dbraw/zinc/85/90/92/1042859092.db2.gz HUHHUPFLJBGQTG-QWHCGFSZSA-N 1 0 303.381 4.189 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000319810675 1042871131 /nfs/dbraw/zinc/87/11/31/1042871131.db2.gz IOFICUAPDSIUKX-HNNXBMFYSA-N 1 0 305.377 4.296 20 30 DIEDRO C=CCOC(=O)[C@@H](Nc1ccc2c[nH+]c(C)cc2c1)[C@@H](C)CC ZINC001167962495 1042887266 /nfs/dbraw/zinc/88/72/66/1042887266.db2.gz QQXVTLOHPPQWRL-UGSOOPFHSA-N 1 0 312.413 4.099 20 30 DIEDRO CC[N@H+](CCOc1cccc(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000517626391 1042888711 /nfs/dbraw/zinc/88/87/11/1042888711.db2.gz OEWJDOUBXLXEIH-INIZCTEOSA-N 1 0 324.424 4.029 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cccc2c1NCCC2)c1ccccc1 ZINC000894357797 1042898953 /nfs/dbraw/zinc/89/89/53/1042898953.db2.gz ADSHFHANXRGIGQ-IBGZPJMESA-N 1 0 305.425 4.179 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)CCS2 ZINC000518183620 1042910367 /nfs/dbraw/zinc/91/03/67/1042910367.db2.gz JBBNIWOCIITZFH-SFHVURJKSA-N 1 0 324.449 4.088 20 30 DIEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000426553117 1042935937 /nfs/dbraw/zinc/93/59/37/1042935937.db2.gz NZDCOLXDARSUFB-IBGZPJMESA-N 1 0 308.425 4.201 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000925079073 1042975174 /nfs/dbraw/zinc/97/51/74/1042975174.db2.gz DTQPLXAHBQYVIT-IAGOWNOFSA-N 1 0 313.489 4.130 20 30 DIEDRO Cc1noc2ncc(C[NH2+][C@H](CCCC#N)c3ccccc3)cc12 ZINC000894855144 1042989938 /nfs/dbraw/zinc/98/99/38/1042989938.db2.gz NOVDHBXHUZJRMQ-GOSISDBHSA-N 1 0 320.396 4.056 20 30 DIEDRO C[C@@H](CC(C)(C)C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000449208996 1042996546 /nfs/dbraw/zinc/99/65/46/1042996546.db2.gz FCXHPEIRMCZPND-OOHWJJMZSA-N 1 0 315.461 4.058 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440944625 1043014750 /nfs/dbraw/zinc/01/47/50/1043014750.db2.gz XNLGMNXSRUTKCL-QZTJIDSGSA-N 1 0 312.457 4.020 20 30 DIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000441348412 1043040305 /nfs/dbraw/zinc/04/03/05/1043040305.db2.gz CEGVOVASNZTGBL-FQEVSTJZSA-N 1 0 323.415 4.100 20 30 DIEDRO Cn1cc(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)cc1C#N ZINC000441387908 1043041768 /nfs/dbraw/zinc/04/17/68/1043041768.db2.gz WRTYAVZXUSRRPR-IBGZPJMESA-N 1 0 307.441 4.090 20 30 DIEDRO C#CCCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000794803661 1043051484 /nfs/dbraw/zinc/05/14/84/1043051484.db2.gz RFMJUYJUEAZEOS-OAHLLOKOSA-N 1 0 310.210 4.042 20 30 DIEDRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000173882889 1043055975 /nfs/dbraw/zinc/05/59/75/1043055975.db2.gz CKTZSBIKLJCTRP-UTKZUKDTSA-N 1 0 319.452 4.046 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc3cccnc32)cc1 ZINC000120506280 1043083693 /nfs/dbraw/zinc/08/36/93/1043083693.db2.gz FCWCWPPCJRUZCZ-MRXNPFEDSA-N 1 0 316.404 4.098 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)s1 ZINC000176950991 1043101922 /nfs/dbraw/zinc/10/19/22/1043101922.db2.gz GBXPIYZMXBPHFW-UHFFFAOYSA-N 1 0 312.438 4.231 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC000865569239 1043115473 /nfs/dbraw/zinc/11/54/73/1043115473.db2.gz MGXDBUDJGICCOK-UHFFFAOYSA-N 1 0 318.314 4.144 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000177859715 1043115963 /nfs/dbraw/zinc/11/59/63/1043115963.db2.gz QANKNFQXWFQPBN-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO Cc1cc(C[NH2+]C2CCC(OC(C)(C)C)CC2)ccc1C#N ZINC000865699066 1043126831 /nfs/dbraw/zinc/12/68/31/1043126831.db2.gz YCXBEPAZOFBXNF-UHFFFAOYSA-N 1 0 300.446 4.083 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1cccc(OC)c1OC ZINC000865758151 1043131941 /nfs/dbraw/zinc/13/19/41/1043131941.db2.gz YPEIPLZIXBJENR-GOSISDBHSA-N 1 0 324.424 4.125 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000049160244 1043135157 /nfs/dbraw/zinc/13/51/57/1043135157.db2.gz NSNHQBJDPQGSQY-ZIAGYGMSSA-N 1 0 300.427 4.371 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1Cl ZINC001252619644 1043145889 /nfs/dbraw/zinc/14/58/89/1043145889.db2.gz NWNJHWSYYBJKEV-LLVKDONJSA-N 1 0 308.636 4.064 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179672611 1043148495 /nfs/dbraw/zinc/14/84/95/1043148495.db2.gz ULFMJHKSILNWPL-HNNXBMFYSA-N 1 0 324.424 4.205 20 30 DIEDRO CCc1nc2ccccc2n1[NH+]=C/C=C\c1ccc(F)c(F)c1 ZINC000794887850 1043148583 /nfs/dbraw/zinc/14/85/83/1043148583.db2.gz VVLFLXYOBFRQLQ-PBTIPDKMSA-N 1 0 311.335 4.424 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179672598 1043148620 /nfs/dbraw/zinc/14/86/20/1043148620.db2.gz ULFMJHKSILNWPL-OAHLLOKOSA-N 1 0 324.424 4.205 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000179662216 1043148845 /nfs/dbraw/zinc/14/88/45/1043148845.db2.gz LPCOACUIHRFHKM-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO CC(C)[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000487389273 1043157282 /nfs/dbraw/zinc/15/72/82/1043157282.db2.gz GSMLJTGCENCDBC-KRWDZBQOSA-N 1 0 302.487 4.061 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000163319754 1043175774 /nfs/dbraw/zinc/17/57/74/1043175774.db2.gz DUHKYIXTPKYRDI-FZMZJTMJSA-N 1 0 310.235 4.217 20 30 DIEDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441491701 1043182728 /nfs/dbraw/zinc/18/27/28/1043182728.db2.gz OZENRJQYGRETHW-KGLIPLIRSA-N 1 0 324.428 4.007 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000866373094 1043192879 /nfs/dbraw/zinc/19/28/79/1043192879.db2.gz VGXSSNWSVRMFQM-LJQANCHMSA-N 1 0 307.441 4.285 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccc(F)c1 ZINC000866444582 1043203250 /nfs/dbraw/zinc/20/32/50/1043203250.db2.gz BFYWXURYAPGWOG-HNNXBMFYSA-N 1 0 323.415 4.017 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)CC2 ZINC000866535343 1043218566 /nfs/dbraw/zinc/21/85/66/1043218566.db2.gz BZZNEZCYTACYOQ-UAGQMJEPSA-N 1 0 320.358 4.280 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000866533456 1043218814 /nfs/dbraw/zinc/21/88/14/1043218814.db2.gz JEMDPWHMAHRDFF-UHOFOFEASA-N 1 0 308.347 4.354 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000121885177 1043265338 /nfs/dbraw/zinc/26/53/38/1043265338.db2.gz NFUFCVPOVGAFTR-OALUTQOASA-N 1 0 324.424 4.020 20 30 DIEDRO N#CC1(C[NH2+]Cc2cc3ccnc(Cl)c3s2)CCCC1 ZINC000895133227 1043301379 /nfs/dbraw/zinc/30/13/79/1043301379.db2.gz FYAJBXTZYLDYPK-UHFFFAOYSA-N 1 0 305.834 4.123 20 30 DIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000267384679 1043306941 /nfs/dbraw/zinc/30/69/41/1043306941.db2.gz VKBMVOMLBAWOLE-SFHVURJKSA-N 1 0 310.445 4.448 20 30 DIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCCC#N ZINC000267384671 1043307860 /nfs/dbraw/zinc/30/78/60/1043307860.db2.gz VKBMVOMLBAWOLE-GOSISDBHSA-N 1 0 310.445 4.448 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)C1CC1 ZINC000427872225 1043311427 /nfs/dbraw/zinc/31/14/27/1043311427.db2.gz CGVGYGYBJAUWIK-AWEZNQCLSA-N 1 0 303.837 4.061 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC1(C)C ZINC001202528157 1043315494 /nfs/dbraw/zinc/31/54/94/1043315494.db2.gz LUEJBJRNDRMOFX-AWEZNQCLSA-N 1 0 305.849 4.268 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2COCC)cc1 ZINC000122629469 1043318690 /nfs/dbraw/zinc/31/86/90/1043318690.db2.gz UMPIPTIEOZCQII-QGZVFWFLSA-N 1 0 323.436 4.086 20 30 DIEDRO CCOc1ccc([C@@H](CC)[NH2+]CCCCC#N)cc1OCC ZINC000268826902 1043335490 /nfs/dbraw/zinc/33/54/90/1043335490.db2.gz BIRMIBJAFMGHPX-MRXNPFEDSA-N 1 0 304.434 4.219 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268872488 1043337462 /nfs/dbraw/zinc/33/74/62/1043337462.db2.gz GLOQQZRMQUGCBQ-OAHLLOKOSA-N 1 0 309.409 4.132 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000268905337 1043342724 /nfs/dbraw/zinc/34/27/24/1043342724.db2.gz GRYNBHZOCQUQGV-XOBRGWDASA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOC1 ZINC001202530714 1043346618 /nfs/dbraw/zinc/34/66/18/1043346618.db2.gz UMCXVJVPNZUFCF-FXAWDEMLSA-N 1 0 320.436 4.158 20 30 DIEDRO CCN(Cc1cn2ccccc2c1C#N)Cc1ccc(C)cc1 ZINC000521222487 1043377054 /nfs/dbraw/zinc/37/70/54/1043377054.db2.gz BKLHPDJBDRJEQF-UHFFFAOYSA-N 1 0 303.409 4.142 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)C1 ZINC000442712990 1043407778 /nfs/dbraw/zinc/40/77/78/1043407778.db2.gz HJZHPEDYXIFYKQ-NHCUHLMSSA-N 1 0 320.436 4.185 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](COc2ccccc2F)c2ccccc2)C1 ZINC000442783785 1043419185 /nfs/dbraw/zinc/41/91/85/1043419185.db2.gz NZDAXOZTOXUCRB-SZVBFZGTSA-N 1 0 324.399 4.228 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442783315 1043419268 /nfs/dbraw/zinc/41/92/68/1043419268.db2.gz PWNWULQNCHHKRE-WMZOPIPTSA-N 1 0 314.473 4.281 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442783311 1043419640 /nfs/dbraw/zinc/41/96/40/1043419640.db2.gz PWNWULQNCHHKRE-FUHWJXTLSA-N 1 0 314.473 4.281 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)s2)cc1 ZINC000442784487 1043419752 /nfs/dbraw/zinc/41/97/52/1043419752.db2.gz PTEFOSQVLPXNLH-ZFWWWQNUSA-N 1 0 312.438 4.206 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3cccc(F)c3)CCCCC2)C1 ZINC000442766722 1043421340 /nfs/dbraw/zinc/42/13/40/1043421340.db2.gz LLUQYPVYMAEZIQ-YJBOKZPZSA-N 1 0 300.421 4.309 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](COCc2ccccc2)c2ccccc2)C1 ZINC000442767415 1043421366 /nfs/dbraw/zinc/42/13/66/1043421366.db2.gz MQHQCZRHTRXTSY-HLAWJBBLSA-N 1 0 320.436 4.226 20 30 DIEDRO COc1cc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)ccc1C#N ZINC000442815554 1043430215 /nfs/dbraw/zinc/43/02/15/1043430215.db2.gz VLZTYQBWGBMCMN-FQEVSTJZSA-N 1 0 318.420 4.219 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1Br ZINC000442830101 1043432127 /nfs/dbraw/zinc/43/21/27/1043432127.db2.gz RGHXZKLFZAZQOX-CHWSQXEVSA-N 1 0 321.262 4.009 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1ccc(C#N)c(OC)c1 ZINC000442859894 1043437150 /nfs/dbraw/zinc/43/71/50/1043437150.db2.gz XXBWINPGLLNGKD-UHFFFAOYSA-N 1 0 314.454 4.083 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442864943 1043438815 /nfs/dbraw/zinc/43/88/15/1043438815.db2.gz HDLRBKAFHTVQHQ-JXGBTDEFSA-N 1 0 300.421 4.369 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CCC(C#N)CC1 ZINC000442865591 1043439042 /nfs/dbraw/zinc/43/90/42/1043439042.db2.gz IKGQKZWDFCGYCA-PMTKGXAQSA-N 1 0 307.441 4.245 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCOc3c(-c4ccccc4)cccc32)C1 ZINC000442871945 1043440516 /nfs/dbraw/zinc/44/05/16/1043440516.db2.gz MLFCUDRFLVCXAY-MDYRTPRTSA-N 1 0 318.420 4.459 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000442873280 1043441626 /nfs/dbraw/zinc/44/16/26/1043441626.db2.gz KEXQGPIVMVVQEA-ZZVGESKWSA-N 1 0 312.457 4.074 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1nc(COC)sc1-c1ccccc1 ZINC000442855533 1043443572 /nfs/dbraw/zinc/44/35/72/1043443572.db2.gz MQWXZAQUKWHCBH-CQSZACIVSA-N 1 0 316.470 4.401 20 30 DIEDRO CCC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000442876930 1043445528 /nfs/dbraw/zinc/44/55/28/1043445528.db2.gz SQMCLNXULHAOIH-JMLCCBQJSA-N 1 0 315.417 4.356 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)cn2)c2ccccc2S1 ZINC000872064882 1043445562 /nfs/dbraw/zinc/44/55/62/1043445562.db2.gz OLXRSKKFXNOHAB-INIZCTEOSA-N 1 0 309.438 4.059 20 30 DIEDRO CCC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000442876931 1043445950 /nfs/dbraw/zinc/44/59/50/1043445950.db2.gz SQMCLNXULHAOIH-JTTJXQCZSA-N 1 0 315.417 4.356 20 30 DIEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)[C@@H]1CCCOC1 ZINC000872073707 1043449502 /nfs/dbraw/zinc/44/95/02/1043449502.db2.gz QVFCGKTWNSSCJP-CEXWTWQISA-N 1 0 300.446 4.216 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000558173912 1043450742 /nfs/dbraw/zinc/45/07/42/1043450742.db2.gz BNHSMZWPBOXJGC-LJQANCHMSA-N 1 0 308.425 4.344 20 30 DIEDRO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000339153792 1043454852 /nfs/dbraw/zinc/45/48/52/1043454852.db2.gz VIRRMNMDPAYDAA-MRXNPFEDSA-N 1 0 302.466 4.150 20 30 DIEDRO C=CC[N@@H+](CCO[C@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000521714819 1043459448 /nfs/dbraw/zinc/45/94/48/1043459448.db2.gz BXBXLGCTEBXKHW-XLIONFOSSA-N 1 0 312.457 4.142 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc2occc2c1 ZINC000348646215 1043461608 /nfs/dbraw/zinc/46/16/08/1043461608.db2.gz PBXBFOHVZWYZSS-UHFFFAOYSA-N 1 0 311.381 4.096 20 30 DIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000558247179 1043470917 /nfs/dbraw/zinc/47/09/17/1043470917.db2.gz SIABZYMQYWOCCC-AWEZNQCLSA-N 1 0 311.454 4.305 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872130934 1043473485 /nfs/dbraw/zinc/47/34/85/1043473485.db2.gz NNFSNFLFHVVVFE-ZOODHJKOSA-N 1 0 311.351 4.223 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000872139560 1043476960 /nfs/dbraw/zinc/47/69/60/1043476960.db2.gz MCINXNWPIJSBHU-YSSFQJQWSA-N 1 0 308.400 4.092 20 30 DIEDRO N#CC1(CC[N@@H+]2CCC[C@H](OC3CCC3)CC2)CCCCC1 ZINC000872282990 1043490851 /nfs/dbraw/zinc/49/08/51/1043490851.db2.gz ZUMSUFYTFAMAEO-SFHVURJKSA-N 1 0 304.478 4.274 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925925951 1043494232 /nfs/dbraw/zinc/49/42/32/1043494232.db2.gz KMTZAZCMVXYOAL-HNNXBMFYSA-N 1 0 320.436 4.126 20 30 DIEDRO CSc1nnc(SC)n1[NH+]=C/C=C(/C)CCC=C(C)C ZINC000872416890 1043497329 /nfs/dbraw/zinc/49/73/29/1043497329.db2.gz AMMBPIPETOPTFG-ZDDADBLPSA-N 1 0 310.492 4.249 20 30 DIEDRO CC(C)[N@H+](Cc1cccnc1)Cc1cccc(OCCCC#N)c1 ZINC000349252934 1043499307 /nfs/dbraw/zinc/49/93/07/1043499307.db2.gz VSIVXFNPURYLFZ-UHFFFAOYSA-N 1 0 323.440 4.175 20 30 DIEDRO C=CCOc1cccc(C[N@H+](CCC)CCc2ccccn2)c1 ZINC000558419159 1043505394 /nfs/dbraw/zinc/50/53/94/1043505394.db2.gz PIWFRXYIEFOFFY-UHFFFAOYSA-N 1 0 310.441 4.101 20 30 DIEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000349707773 1043519409 /nfs/dbraw/zinc/51/94/09/1043519409.db2.gz QAQSPYWOWVWQGQ-FUHWJXTLSA-N 1 0 300.446 4.380 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001204983383 1043523596 /nfs/dbraw/zinc/52/35/96/1043523596.db2.gz ACXOXIGHAHSSGE-KBPBESRZSA-N 1 0 310.844 4.392 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccco1 ZINC000558508982 1043525597 /nfs/dbraw/zinc/52/55/97/1043525597.db2.gz LBKMKQHSNKNJRU-HBFSDRIKSA-N 1 0 311.425 4.043 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H](O)c1ccccc1 ZINC000873197293 1043526171 /nfs/dbraw/zinc/52/61/71/1043526171.db2.gz XZKGMLPFMAZZHM-WOJBJXKFSA-N 1 0 322.452 4.090 20 30 DIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000522039925 1043528800 /nfs/dbraw/zinc/52/88/00/1043528800.db2.gz VXENHGBJWGTOJZ-VFNWGFHPSA-N 1 0 320.436 4.023 20 30 DIEDRO N#CCCC[NH2+][C@@H](Cc1cccc(F)c1Cl)c1ccco1 ZINC000926131557 1043531839 /nfs/dbraw/zinc/53/18/39/1043531839.db2.gz FTLGOSZWJMYBOT-AWEZNQCLSA-N 1 0 306.768 4.249 20 30 DIEDRO N#CCCC[NH2+][C@@H](Cc1ccc(F)cc1Cl)c1ccoc1 ZINC000926131990 1043533184 /nfs/dbraw/zinc/53/31/84/1043533184.db2.gz INOGYHMCNHOTDB-INIZCTEOSA-N 1 0 306.768 4.249 20 30 DIEDRO CCCC1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCC1 ZINC000350311466 1043542067 /nfs/dbraw/zinc/54/20/67/1043542067.db2.gz HSFTVLIQGLXZBG-UHFFFAOYSA-N 1 0 322.456 4.019 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccnn2C2CCC2)cc1 ZINC000926399904 1043571226 /nfs/dbraw/zinc/57/12/26/1043571226.db2.gz DBOKCODMGIBGCF-OAHLLOKOSA-N 1 0 311.429 4.024 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000926407100 1043574602 /nfs/dbraw/zinc/57/46/02/1043574602.db2.gz RTSWWWGIONSYMZ-ZFWWWQNUSA-N 1 0 304.434 4.073 20 30 DIEDRO COc1ccccc1[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccn1 ZINC000926426831 1043576493 /nfs/dbraw/zinc/57/64/93/1043576493.db2.gz QFTYFGHEAFGKRA-IBGZPJMESA-N 1 0 323.440 4.099 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)cc1C#N ZINC000124968218 1043578465 /nfs/dbraw/zinc/57/84/65/1043578465.db2.gz OJCLWXQJLQYLAS-CYBMUJFWSA-N 1 0 306.365 4.164 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1C#N ZINC000124968004 1043578635 /nfs/dbraw/zinc/57/86/35/1043578635.db2.gz OJCLWXQJLQYLAS-ZDUSSCGKSA-N 1 0 306.365 4.164 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000926473209 1043582246 /nfs/dbraw/zinc/58/22/46/1043582246.db2.gz YSFVTMWKXDDRKS-AHRSYUTCSA-N 1 0 322.452 4.379 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccccc1 ZINC000926482041 1043585514 /nfs/dbraw/zinc/58/55/14/1043585514.db2.gz XBYNEBHOCLHXDX-NMLBUPMWSA-N 1 0 312.457 4.216 20 30 DIEDRO Cc1cc(C)cc([C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2cccnc2)c1 ZINC000926513435 1043591495 /nfs/dbraw/zinc/59/14/95/1043591495.db2.gz UXBJHIZFBHZVKS-DZFGPLHGSA-N 1 0 319.452 4.460 20 30 DIEDRO C[C@H](CC(C)(C)C#N)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000926541845 1043596560 /nfs/dbraw/zinc/59/65/60/1043596560.db2.gz KIPYGWQXAMTHBA-MRXNPFEDSA-N 1 0 307.526 4.147 20 30 DIEDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353393994 1043604595 /nfs/dbraw/zinc/60/45/95/1043604595.db2.gz LALBTGZGABGGKF-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO CCc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccnc2)cc1 ZINC000926614392 1043607811 /nfs/dbraw/zinc/60/78/11/1043607811.db2.gz JZCUCSVAJRTCJV-DBVUQKKJSA-N 1 0 305.425 4.015 20 30 DIEDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C)cc1OCCCC#N ZINC000353473624 1043608958 /nfs/dbraw/zinc/60/89/58/1043608958.db2.gz SSNDQWMEKANGKA-MRXNPFEDSA-N 1 0 316.445 4.142 20 30 DIEDRO CC[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(OC)n1 ZINC000926671953 1043614293 /nfs/dbraw/zinc/61/42/93/1043614293.db2.gz RACZIYWGZXJNSB-KRWDZBQOSA-N 1 0 321.424 4.082 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc2c1OCO2 ZINC000926672597 1043614972 /nfs/dbraw/zinc/61/49/72/1043614972.db2.gz UFFKHWANYGSSPZ-CQSZACIVSA-N 1 0 320.392 4.017 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000926678287 1043616318 /nfs/dbraw/zinc/61/63/18/1043616318.db2.gz QMJWZFFNVAOMKC-LSDHHAIUSA-N 1 0 319.880 4.084 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353582206 1043621083 /nfs/dbraw/zinc/62/10/83/1043621083.db2.gz PFNVLHRGGRHMOH-ORAYPTAESA-N 1 0 322.456 4.156 20 30 DIEDRO N#CCC1(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000353589605 1043621329 /nfs/dbraw/zinc/62/13/29/1043621329.db2.gz RASJOUQWHKSUJZ-HNNXBMFYSA-N 1 0 324.346 4.320 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cc(C)ccc1OC ZINC000353642004 1043628090 /nfs/dbraw/zinc/62/80/90/1043628090.db2.gz KIYMSAUKTSKWRN-GOSISDBHSA-N 1 0 324.424 4.125 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOc3cc(F)ccc31)CC2 ZINC000353682570 1043631508 /nfs/dbraw/zinc/63/15/08/1043631508.db2.gz XTTWORJLNHXCQQ-MOPGFXCFSA-N 1 0 322.383 4.188 20 30 DIEDRO N#CCCCOc1cccc(CN2CC=C(C(F)(F)F)CC2)c1 ZINC000353750881 1043640962 /nfs/dbraw/zinc/64/09/62/1043640962.db2.gz OLWMQRRXZBULQL-UHFFFAOYSA-N 1 0 324.346 4.064 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926951272 1043661428 /nfs/dbraw/zinc/66/14/28/1043661428.db2.gz ZOVQGOOKEHOHKW-MHABSNSOSA-N 1 0 322.374 4.179 20 30 DIEDRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)CCC2 ZINC000926967946 1043663204 /nfs/dbraw/zinc/66/32/04/1043663204.db2.gz ZCXIEHATLCDTSX-OAHLLOKOSA-N 1 0 311.454 4.053 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cccc2oc(C)nc21)c1ccc(C#N)cc1 ZINC000926977139 1043666196 /nfs/dbraw/zinc/66/61/96/1043666196.db2.gz YJDUZKPWVOWMGZ-GOSISDBHSA-N 1 0 319.408 4.291 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1 ZINC000353981690 1043669223 /nfs/dbraw/zinc/66/92/23/1043669223.db2.gz WOBITMAWJKZCMX-ACJLOTCBSA-N 1 0 304.397 4.236 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000927036677 1043670347 /nfs/dbraw/zinc/67/03/47/1043670347.db2.gz LGKHATIGCFHLKZ-DOMZBBRYSA-N 1 0 304.434 4.166 20 30 DIEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000125878528 1043671948 /nfs/dbraw/zinc/67/19/48/1043671948.db2.gz NFHOYLNKHMSHRI-CVEARBPZSA-N 1 0 304.434 4.044 20 30 DIEDRO CCC[C@H](CC)[NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000125878698 1043672786 /nfs/dbraw/zinc/67/27/86/1043672786.db2.gz NFHOYLNKHMSHRI-HOTGVXAUSA-N 1 0 304.434 4.044 20 30 DIEDRO C#C[C@H]([NH2+]C1CCC(OCC)CC1)c1ccc(Cl)cc1F ZINC000825885242 1043692096 /nfs/dbraw/zinc/69/20/96/1043692096.db2.gz DWQRKUOXCBPRFH-KVULBXGLSA-N 1 0 309.812 4.091 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1Cl ZINC000191072662 1043697705 /nfs/dbraw/zinc/69/77/05/1043697705.db2.gz RJBKCDKWHYEJAK-KRWDZBQOSA-N 1 0 301.821 4.037 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000876722144 1043705614 /nfs/dbraw/zinc/70/56/14/1043705614.db2.gz PEXGSXPSIRACGJ-KDOFPFPSSA-N 1 0 320.864 4.025 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876885849 1043720728 /nfs/dbraw/zinc/72/07/28/1043720728.db2.gz RNJKVNKFQBUPSK-KRWDZBQOSA-N 1 0 313.832 4.484 20 30 DIEDRO CCC(C#N)(CC)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168032507 1043732167 /nfs/dbraw/zinc/73/21/67/1043732167.db2.gz HCKTYMYHQZKEJG-IZZQQSIFSA-N 1 0 313.489 4.100 20 30 DIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2ccccc2)C2CCC2)c1 ZINC000877011588 1043732805 /nfs/dbraw/zinc/73/28/05/1043732805.db2.gz HDQKMDZXDKFEIB-KRWDZBQOSA-N 1 0 311.816 4.238 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)CC[P@@](C)(=O)OCC)c1ccncc1 ZINC000877046229 1043737010 /nfs/dbraw/zinc/73/70/10/1043737010.db2.gz JLMMPFPQGQHURZ-ZJTDPSCFSA-N 1 0 310.378 4.011 20 30 DIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC000877043585 1043738496 /nfs/dbraw/zinc/73/84/96/1043738496.db2.gz KEYXQSMYTPADBX-QGZVFWFLSA-N 1 0 311.816 4.238 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000877093101 1043741624 /nfs/dbraw/zinc/74/16/24/1043741624.db2.gz FBFIORVGQRAPGB-NEPJUHHUSA-N 1 0 300.324 4.176 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000877093108 1043742062 /nfs/dbraw/zinc/74/20/62/1043742062.db2.gz FBFIORVGQRAPGB-VXGBXAGGSA-N 1 0 300.324 4.176 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877335571 1043758382 /nfs/dbraw/zinc/75/83/82/1043758382.db2.gz HKNNMZQATOYYRH-MOPGFXCFSA-N 1 0 303.421 4.219 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000877475520 1043763153 /nfs/dbraw/zinc/76/31/53/1043763153.db2.gz RSRARYLOPBWBQS-MFKMUULPSA-N 1 0 313.228 4.346 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000877475521 1043763375 /nfs/dbraw/zinc/76/33/75/1043763375.db2.gz RSRARYLOPBWBQS-ZWNOBZJWSA-N 1 0 313.228 4.346 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000877523373 1043770934 /nfs/dbraw/zinc/77/09/34/1043770934.db2.gz JBXXDCJPKZJBLO-KRWDZBQOSA-N 1 0 315.461 4.448 20 30 DIEDRO N#CC1CCC([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC000877543561 1043773147 /nfs/dbraw/zinc/77/31/47/1043773147.db2.gz HYVHZCPZECFVFB-OLBNFPALSA-N 1 0 320.436 4.133 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000877620724 1043780720 /nfs/dbraw/zinc/78/07/20/1043780720.db2.gz MHJPETCJZMRDFC-AWEZNQCLSA-N 1 0 317.433 4.063 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC[P@@](C)(=O)OCC ZINC000877620132 1043782083 /nfs/dbraw/zinc/78/20/83/1043782083.db2.gz PRYFZFFEPYVRDA-QOIOWGMHSA-N 1 0 301.411 4.434 20 30 DIEDRO C=CCC1([NH2+]Cc2cc3nc(Cl)ccc3s2)CCOCC1 ZINC000877628333 1043783056 /nfs/dbraw/zinc/78/30/56/1043783056.db2.gz GKVGYJWCECFXMO-UHFFFAOYSA-N 1 0 322.861 4.165 20 30 DIEDRO CC(C)[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000877640269 1043783650 /nfs/dbraw/zinc/78/36/50/1043783650.db2.gz WIRRUBYSSGPVPG-BLYBZDDLSA-N 1 0 320.864 4.070 20 30 DIEDRO C=CCC1([NH2+][C@@H](C)CCc2cncc3ccccc32)CCOCC1 ZINC000877629366 1043784034 /nfs/dbraw/zinc/78/40/34/1043784034.db2.gz UGAKNCHTMMJCDQ-KRWDZBQOSA-N 1 0 324.468 4.271 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000355682873 1043785708 /nfs/dbraw/zinc/78/57/08/1043785708.db2.gz MSEHKTXZWVYWQW-GOSISDBHSA-N 1 0 300.352 4.120 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cn(C(F)F)c3ccccc23)CC1 ZINC000877657638 1043786817 /nfs/dbraw/zinc/78/68/17/1043786817.db2.gz LWJYBMVCZWKLRP-UHFFFAOYSA-N 1 0 303.356 4.208 20 30 DIEDRO N#CC1(CCCCN2CCO[C@@H](c3ccc(F)cc3)C2)CCC1 ZINC000929255431 1043803824 /nfs/dbraw/zinc/80/38/24/1043803824.db2.gz URCYDFITRSFQII-GOSISDBHSA-N 1 0 316.420 4.063 20 30 DIEDRO N#CC1(CCCCN2CCO[C@H](c3ccc(F)cc3)C2)CCC1 ZINC000929255432 1043806051 /nfs/dbraw/zinc/80/60/51/1043806051.db2.gz URCYDFITRSFQII-SFHVURJKSA-N 1 0 316.420 4.063 20 30 DIEDRO CC(C)N(Cc1coc(C(C)(C)C)n1)Cc1ccc(C#N)cc1 ZINC000929379527 1043813994 /nfs/dbraw/zinc/81/39/94/1043813994.db2.gz DPNARYJYUPLSPS-UHFFFAOYSA-N 1 0 311.429 4.254 20 30 DIEDRO CCC[C@](C)(C#N)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168036917 1043819578 /nfs/dbraw/zinc/81/95/78/1043819578.db2.gz WCSVANUSWMYTCX-MBOZVWFJSA-N 1 0 313.489 4.100 20 30 DIEDRO C[N@H+](CCCCC1(C#N)CCC1)C[C@H]1OCCc2ccccc21 ZINC000929468299 1043820081 /nfs/dbraw/zinc/82/00/81/1043820081.db2.gz JLMDJAYLFYGDFU-LJQANCHMSA-N 1 0 312.457 4.096 20 30 DIEDRO CCC[C@@](C)(C#N)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168036909 1043820442 /nfs/dbraw/zinc/82/04/42/1043820442.db2.gz WCSVANUSWMYTCX-HNJRGHQBSA-N 1 0 313.489 4.100 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000877917873 1043822908 /nfs/dbraw/zinc/82/29/08/1043822908.db2.gz IBUXJSRDESMLLF-UWJYYQICSA-N 1 0 320.436 4.120 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1(SC)CCC1 ZINC000356338694 1043832775 /nfs/dbraw/zinc/83/27/75/1043832775.db2.gz NCRQKOHCVWZOSE-UHFFFAOYSA-N 1 0 307.507 4.128 20 30 DIEDRO C#CCCCCC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000877962997 1043833120 /nfs/dbraw/zinc/83/31/20/1043833120.db2.gz CWEQQSJNEPODMF-UHFFFAOYSA-N 1 0 319.395 4.053 20 30 DIEDRO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CCCCC1 ZINC000877963647 1043834510 /nfs/dbraw/zinc/83/45/10/1043834510.db2.gz IEMIUQQAQACQTG-HXUWFJFHSA-N 1 0 312.457 4.082 20 30 DIEDRO N#CC1CCC(C[NH+]2CCC(OCC3CCCCC3)CC2)CC1 ZINC000929717883 1043836320 /nfs/dbraw/zinc/83/63/20/1043836320.db2.gz KMVOMZMYCVOGKH-UHFFFAOYSA-N 1 0 318.505 4.378 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)c1ccccc1 ZINC000877986001 1043836572 /nfs/dbraw/zinc/83/65/72/1043836572.db2.gz IGXLVOXKVBATOX-RTWAWAEBSA-N 1 0 324.468 4.082 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CCC1 ZINC000929833352 1043843611 /nfs/dbraw/zinc/84/36/11/1043843611.db2.gz WSWPHCNSAIPMCA-SJORKVTESA-N 1 0 316.445 4.032 20 30 DIEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCCCC1(C#N)CCC1 ZINC000929848992 1043843706 /nfs/dbraw/zinc/84/37/06/1043843706.db2.gz IJBQJBFUAPWANP-MRXNPFEDSA-N 1 0 300.446 4.119 20 30 DIEDRO N#CCC1(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000878175162 1043854603 /nfs/dbraw/zinc/85/46/03/1043854603.db2.gz XVLDFJXKPCIZFO-JKSUJKDBSA-N 1 0 318.486 4.110 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1Br ZINC001308464165 1043867590 /nfs/dbraw/zinc/86/75/90/1043867590.db2.gz QDPBNIIQIOGOPC-OCCSQVGLSA-N 1 0 309.251 4.069 20 30 DIEDRO N#Cc1cncc(C[NH2+][C@H](c2ccccc2)C2CCCCC2)c1 ZINC000930141038 1043885215 /nfs/dbraw/zinc/88/52/15/1043885215.db2.gz OIJAAEFGICPKEN-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO CCC[C@@H]1CCCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878428746 1043893218 /nfs/dbraw/zinc/89/32/18/1043893218.db2.gz VZXRRUGHULIQFQ-WOJBJXKFSA-N 1 0 312.457 4.082 20 30 DIEDRO CC(C)(C)[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1F ZINC000930233272 1043901581 /nfs/dbraw/zinc/90/15/81/1043901581.db2.gz OXUGFCUTNMZMOS-QGZVFWFLSA-N 1 0 315.367 4.108 20 30 DIEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930238401 1043904476 /nfs/dbraw/zinc/90/44/76/1043904476.db2.gz NZPXFDJGCPODDW-PJSAGSTRSA-N 1 0 311.816 4.094 20 30 DIEDRO COCCCC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1 ZINC000930272505 1043908183 /nfs/dbraw/zinc/90/81/83/1043908183.db2.gz BWUPHRWFIUOWKF-QLOJAFMTSA-N 1 0 314.473 4.464 20 30 DIEDRO CC1(C)CC[C@@H](C[NH2+][C@@H](CCCC#N)c2ccccc2)OC1 ZINC000878648515 1043911399 /nfs/dbraw/zinc/91/13/99/1043911399.db2.gz PHCSFLWXDWNJSP-ROUUACIJSA-N 1 0 300.446 4.216 20 30 DIEDRO CC1(C)CCC[C@@H](C[NH2+][C@@H](CCCC#N)c2ccccc2)O1 ZINC000878649182 1043911862 /nfs/dbraw/zinc/91/18/62/1043911862.db2.gz WZQVPEWLZOBEMH-ROUUACIJSA-N 1 0 300.446 4.359 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000522469890 1043912971 /nfs/dbraw/zinc/91/29/71/1043912971.db2.gz SQRVCWIPPXZYQC-WMZOPIPTSA-N 1 0 315.420 4.189 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000561349741 1043934793 /nfs/dbraw/zinc/93/47/93/1043934793.db2.gz XJAAUCCTMCZGIE-TYPHKJRUSA-N 1 0 302.421 4.098 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)[C@H]1OCCc2sccc21 ZINC000930558402 1043939550 /nfs/dbraw/zinc/93/95/50/1043939550.db2.gz CXKYCPKPMFPZNF-RHSMWYFYSA-N 1 0 318.486 4.204 20 30 DIEDRO C[N@H+](CCCCC1(C#N)CCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000930610512 1043948559 /nfs/dbraw/zinc/94/85/59/1043948559.db2.gz RSBLTNSMCPNFRR-QGZVFWFLSA-N 1 0 320.864 4.169 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000930636871 1043950187 /nfs/dbraw/zinc/95/01/87/1043950187.db2.gz BWROCDIAAXUEST-MSOLQXFVSA-N 1 0 316.489 4.132 20 30 DIEDRO C=CC(C)(C)CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000879206313 1043950357 /nfs/dbraw/zinc/95/03/57/1043950357.db2.gz KGFKFXKKCZAQNS-UHFFFAOYSA-N 1 0 300.446 4.132 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CCC1 ZINC000931024697 1043983025 /nfs/dbraw/zinc/98/30/25/1043983025.db2.gz IRQOXYAFWPVEBN-ROUUACIJSA-N 1 0 304.478 4.132 20 30 DIEDRO CCC[N@@H+](Cc1cc(Br)ccc1C#N)CC(C)C ZINC001141907899 1043986693 /nfs/dbraw/zinc/98/66/93/1043986693.db2.gz SJWVEGNLFUMNEV-UHFFFAOYSA-N 1 0 309.251 4.189 20 30 DIEDRO Cc1ccncc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000474925943 1043988297 /nfs/dbraw/zinc/98/82/97/1043988297.db2.gz JYUUHRAQXUKRTJ-UHFFFAOYSA-N 1 0 313.404 4.219 20 30 DIEDRO CC(C)(C)OCCCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000474969029 1044002940 /nfs/dbraw/zinc/00/29/40/1044002940.db2.gz PXTGPODSSGAZIT-UHFFFAOYSA-N 1 0 312.457 4.243 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)cc1C#N ZINC000880102711 1044011768 /nfs/dbraw/zinc/01/17/68/1044011768.db2.gz IUGAUNGYBSRGDO-LBPRGKRZSA-N 1 0 319.330 4.131 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000880098905 1044012797 /nfs/dbraw/zinc/01/27/97/1044012797.db2.gz XRSOWJOHQRLXIS-GFCCVEGCSA-N 1 0 319.330 4.017 20 30 DIEDRO COc1ccccc1[C@H]1CSCCC[N@@H+]1CCC(C)(C)C#N ZINC000880175740 1044017996 /nfs/dbraw/zinc/01/79/96/1044017996.db2.gz DZAISBYKYWBEQE-MRXNPFEDSA-N 1 0 318.486 4.115 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)CC1 ZINC000931372780 1044019091 /nfs/dbraw/zinc/01/90/91/1044019091.db2.gz PUDWQZAQAGNVKA-OFLPRAFFSA-N 1 0 322.456 4.072 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CCC1 ZINC000931467261 1044030158 /nfs/dbraw/zinc/03/01/58/1044030158.db2.gz ICKLMGIZNMSLRU-OALUTQOASA-N 1 0 312.457 4.049 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CCC1 ZINC000931467265 1044030788 /nfs/dbraw/zinc/03/07/88/1044030788.db2.gz ICKLMGIZNMSLRU-RTBURBONSA-N 1 0 312.457 4.049 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccccc1 ZINC000358179918 1044030844 /nfs/dbraw/zinc/03/08/44/1044030844.db2.gz RKEICMAJHWSKCU-KNQAVFIVSA-N 1 0 313.466 4.091 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000931501892 1044035291 /nfs/dbraw/zinc/03/52/91/1044035291.db2.gz GXTGBNNHMZNULT-ZDUSSCGKSA-N 1 0 313.401 4.048 20 30 DIEDRO CC[C@@H](c1ccccc1OC)N(C)Cc1cc(F)ccc1C#N ZINC000561961958 1044039931 /nfs/dbraw/zinc/03/99/31/1044039931.db2.gz QXMOJONIPPXQNQ-SFHVURJKSA-N 1 0 312.388 4.289 20 30 DIEDRO Cc1csc([C@H]2CC[N@H+](CCCCC3(C#N)CCC3)C2)n1 ZINC000931614685 1044053023 /nfs/dbraw/zinc/05/30/23/1044053023.db2.gz BDOBZNQJQODEGY-HNNXBMFYSA-N 1 0 303.475 4.105 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)COC)c1ccc(C(F)(F)F)cc1 ZINC000358353515 1044060236 /nfs/dbraw/zinc/06/02/36/1044060236.db2.gz OWQDMFRELCQZCD-WFASDCNBSA-N 1 0 301.352 4.337 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(-c3ccccc3)o2)ccc1C#N ZINC000443957388 1044062248 /nfs/dbraw/zinc/06/22/48/1044062248.db2.gz IYJNKFUNEWQFSQ-UHFFFAOYSA-N 1 0 302.377 4.417 20 30 DIEDRO CCCN(Cc1cc(-c2ccco2)on1)Cc1ccc(C#N)cc1 ZINC000047739866 1044074607 /nfs/dbraw/zinc/07/46/07/1044074607.db2.gz BCDRQALAGQKCRH-UHFFFAOYSA-N 1 0 321.380 4.218 20 30 DIEDRO C=CCC1(C(=O)Nc2cccc(C[NH+](CC)CC)c2)CCC1 ZINC000358635501 1044088014 /nfs/dbraw/zinc/08/80/14/1044088014.db2.gz GYNIJQRQDUIODH-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)nc1 ZINC000562370084 1044105768 /nfs/dbraw/zinc/10/57/68/1044105768.db2.gz WOABLMRNPMQBIY-OAQYLSRUSA-N 1 0 313.404 4.444 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932203943 1044109214 /nfs/dbraw/zinc/10/92/14/1044109214.db2.gz NFGCAFFWROYJOY-GOEBONIOSA-N 1 0 311.454 4.030 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(F)ccc2C)c1 ZINC000778087050 1044127601 /nfs/dbraw/zinc/12/76/01/1044127601.db2.gz BEJQJXSZUAIKHK-SFHVURJKSA-N 1 0 312.388 4.105 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCO[C@@H]1CC(C)C)c1ccc(C#N)cc1 ZINC000562603403 1044136202 /nfs/dbraw/zinc/13/62/02/1044136202.db2.gz OBFDHJBKPSOJFZ-GBESFXJTSA-N 1 0 300.446 4.193 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000346781182 1044141882 /nfs/dbraw/zinc/14/18/82/1044141882.db2.gz PUQBVRZVTXLHOS-QGZVFWFLSA-N 1 0 320.436 4.177 20 30 DIEDRO C=CCCC[NH+]1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000932550725 1044142065 /nfs/dbraw/zinc/14/20/65/1044142065.db2.gz GLVVKUBWCJEBOL-UHFFFAOYSA-N 1 0 313.470 4.351 20 30 DIEDRO C=C(C)CC[NH+]1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000932557707 1044142487 /nfs/dbraw/zinc/14/24/87/1044142487.db2.gz OYOPLANDMKRQRW-UHFFFAOYSA-N 1 0 313.470 4.351 20 30 DIEDRO C[C@@H]([NH2+]CCCC#N)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000346823633 1044146761 /nfs/dbraw/zinc/14/67/61/1044146761.db2.gz HLHHQGIBGTWGSV-GHMZBOCLSA-N 1 0 301.217 4.043 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccccc2)cc(OC)c1OC ZINC000129458874 1044152470 /nfs/dbraw/zinc/15/24/70/1044152470.db2.gz ZWIXMBGEHSGMOY-OAHLLOKOSA-N 1 0 311.425 4.283 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2SC)cc1C#N ZINC000281661165 1044175864 /nfs/dbraw/zinc/17/58/64/1044175864.db2.gz KSRSVFKYKHDIJR-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO C#CCC1([NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)CCC1 ZINC000933298489 1044192179 /nfs/dbraw/zinc/19/21/79/1044192179.db2.gz AXLXEMDNMVKXMF-LBPRGKRZSA-N 1 0 303.356 4.028 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccsc2S1 ZINC000130344592 1044199172 /nfs/dbraw/zinc/19/91/72/1044199172.db2.gz RJPWNLYZGYWGDV-NHYWBVRUSA-N 1 0 300.452 4.335 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613362 1044203126 /nfs/dbraw/zinc/20/31/26/1044203126.db2.gz ZMIQDLIKPYWDOH-UHFFFAOYSA-N 1 0 309.457 4.458 20 30 DIEDRO N#Cc1csc(CN2CCCC[C@@H]2CCc2ccccc2)n1 ZINC000562913144 1044205048 /nfs/dbraw/zinc/20/50/48/1044205048.db2.gz BLWCZRMPKMJYJA-QGZVFWFLSA-N 1 0 311.454 4.002 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000130488435 1044205546 /nfs/dbraw/zinc/20/55/46/1044205546.db2.gz GVPGDXXMVIZHRR-UZLBHIALSA-N 1 0 319.408 4.112 20 30 DIEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1nnc(C)s1 ZINC000883216105 1044236671 /nfs/dbraw/zinc/23/66/71/1044236671.db2.gz LDYFPWZDISCRKR-CJNGLKHVSA-N 1 0 301.459 4.075 20 30 DIEDRO C=CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1nnc(C)s1 ZINC000883216106 1044237248 /nfs/dbraw/zinc/23/72/48/1044237248.db2.gz LDYFPWZDISCRKR-CZUORRHYSA-N 1 0 301.459 4.075 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)nc1 ZINC000840747193 1044237697 /nfs/dbraw/zinc/23/76/97/1044237697.db2.gz MSMZIHAFRKKFQW-WBVHZDCISA-N 1 0 311.816 4.033 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)[C@H]1CCCO1 ZINC000883226531 1044239386 /nfs/dbraw/zinc/23/93/86/1044239386.db2.gz AEFZZXJRAKZIPS-YYIAUSFCSA-N 1 0 321.486 4.072 20 30 DIEDRO C=CCCC[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccccc1 ZINC000883244795 1044243003 /nfs/dbraw/zinc/24/30/03/1044243003.db2.gz XBGBCLYCXYNCLF-ZWKOTPCHSA-N 1 0 301.430 4.017 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)CC(F)F)cc1OC ZINC000883252672 1044245990 /nfs/dbraw/zinc/24/59/90/1044245990.db2.gz SQJHVEAOQQTEEW-UHFFFAOYSA-N 1 0 313.388 4.031 20 30 DIEDRO C=CC[C@@H]1CCN1Cc1csc(COc2ccc(F)cc2)n1 ZINC000934470897 1044253239 /nfs/dbraw/zinc/25/32/39/1044253239.db2.gz GTHQZTGXHYQSIU-OAHLLOKOSA-N 1 0 318.417 4.012 20 30 DIEDRO COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000883265703 1044253629 /nfs/dbraw/zinc/25/36/29/1044253629.db2.gz IOJXYPQIFOCLNA-AWEZNQCLSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000883266993 1044255263 /nfs/dbraw/zinc/25/52/63/1044255263.db2.gz PPPJEDWNYUIYPD-HXUWFJFHSA-N 1 0 318.420 4.221 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c(Cl)n1 ZINC000883293036 1044259357 /nfs/dbraw/zinc/25/93/57/1044259357.db2.gz HXYCOMQJGJTECW-UHFFFAOYSA-N 1 0 313.832 4.134 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000563564177 1044280832 /nfs/dbraw/zinc/28/08/32/1044280832.db2.gz HEJSVFWLZDLGDB-UHFFFAOYSA-N 1 0 317.433 4.369 20 30 DIEDRO C=C(C)c1cccc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000934885781 1044294811 /nfs/dbraw/zinc/29/48/11/1044294811.db2.gz RKFVFVSUSZHQFG-UHFFFAOYSA-N 1 0 315.461 4.104 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883384624 1044296469 /nfs/dbraw/zinc/29/64/69/1044296469.db2.gz VXHODDRCIXGIGZ-SJLPKXTDSA-N 1 0 315.457 4.394 20 30 DIEDRO COC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655679 1044297275 /nfs/dbraw/zinc/29/72/75/1044297275.db2.gz DRQISZQAFNORKX-NHCUHLMSSA-N 1 0 320.436 4.303 20 30 DIEDRO COCc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000360839572 1044316472 /nfs/dbraw/zinc/31/64/72/1044316472.db2.gz YDTWBZVLZOAJJU-NRFANRHFSA-N 1 0 320.436 4.262 20 30 DIEDRO COCc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000360839573 1044317981 /nfs/dbraw/zinc/31/79/81/1044317981.db2.gz YDTWBZVLZOAJJU-OAQYLSRUSA-N 1 0 320.436 4.262 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001253238338 1044318863 /nfs/dbraw/zinc/31/88/63/1044318863.db2.gz CZRHGFAWRCYZNV-LSDHHAIUSA-N 1 0 307.400 4.148 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(C#N)cc1 ZINC000035256407 1044319501 /nfs/dbraw/zinc/31/95/01/1044319501.db2.gz YOHHSCSQIGHFMC-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000035256325 1044320395 /nfs/dbraw/zinc/32/03/95/1044320395.db2.gz FEPCDPMIZYNGGV-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO CCOC1CC(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360881726 1044321510 /nfs/dbraw/zinc/32/15/10/1044321510.db2.gz ASGJAOOQZJUDII-PKUWUEBNSA-N 1 0 312.457 4.121 20 30 DIEDRO COc1ccc(F)cc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360883799 1044323148 /nfs/dbraw/zinc/32/31/48/1044323148.db2.gz LYMSVENGUFONAY-IBGZPJMESA-N 1 0 324.399 4.263 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168059775 1044328709 /nfs/dbraw/zinc/32/87/09/1044328709.db2.gz HCNHTBRHJSBAGJ-OPVJXMOQSA-N 1 0 300.490 4.326 20 30 DIEDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)ccc1C#N ZINC001202561297 1044352559 /nfs/dbraw/zinc/35/25/59/1044352559.db2.gz SPNLXZAXDJWBEF-PMACEKPBSA-N 1 0 320.436 4.240 20 30 DIEDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)ccc1C#N ZINC001202561307 1044353020 /nfs/dbraw/zinc/35/30/20/1044353020.db2.gz SPNLXZAXDJWBEF-WOJBJXKFSA-N 1 0 320.436 4.240 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001142007307 1044354359 /nfs/dbraw/zinc/35/43/59/1044354359.db2.gz ZNNDWBOJTHWJMS-QGZVFWFLSA-N 1 0 310.526 4.364 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000361230919 1044378932 /nfs/dbraw/zinc/37/89/32/1044378932.db2.gz RBUFTZNECFTZTI-CZUORRHYSA-N 1 0 322.543 4.304 20 30 DIEDRO N#CCCC1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000564795988 1044404553 /nfs/dbraw/zinc/40/45/53/1044404553.db2.gz JJBDHPQHXQZTKR-UHFFFAOYSA-N 1 0 306.837 4.125 20 30 DIEDRO C#CCC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000778454242 1044407552 /nfs/dbraw/zinc/40/75/52/1044407552.db2.gz DWHQQODMHCHQNQ-OAHLLOKOSA-N 1 0 310.210 4.042 20 30 DIEDRO C#CCC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000778454241 1044408658 /nfs/dbraw/zinc/40/86/58/1044408658.db2.gz DWHQQODMHCHQNQ-HNNXBMFYSA-N 1 0 310.210 4.042 20 30 DIEDRO Cn1cc(C[NH+](Cc2ccccc2)Cc2ccccc2)cc1C#N ZINC000361497083 1044410143 /nfs/dbraw/zinc/41/01/43/1044410143.db2.gz OENNVUCYEBKLBT-UHFFFAOYSA-N 1 0 315.420 4.099 20 30 DIEDRO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000361552270 1044417440 /nfs/dbraw/zinc/41/74/40/1044417440.db2.gz KJPFAMALMIQZIQ-KBXCAEBGSA-N 1 0 311.429 4.025 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cn1)CC1CCC1 ZINC000565158644 1044419083 /nfs/dbraw/zinc/41/90/83/1044419083.db2.gz UKWVEECLSQRBEN-INIZCTEOSA-N 1 0 305.425 4.317 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000565618649 1044444892 /nfs/dbraw/zinc/44/48/92/1044444892.db2.gz CQCLEAFFDFCNJK-LJQANCHMSA-N 1 0 322.477 4.367 20 30 DIEDRO COc1ccc(C[N@H+](Cc2cccc(C#N)c2)C(C)(C)C)cc1 ZINC000565618740 1044446376 /nfs/dbraw/zinc/44/63/76/1044446376.db2.gz FGOXCJUQKYVPDF-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565738382 1044455552 /nfs/dbraw/zinc/45/55/52/1044455552.db2.gz STJYHBSXYRYSOR-QRWLVFNGSA-N 1 0 322.452 4.283 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000565960985 1044467585 /nfs/dbraw/zinc/46/75/85/1044467585.db2.gz HZJMRKLUFIYTTA-HXUWFJFHSA-N 1 0 301.393 4.207 20 30 DIEDRO CCC[N@@H+]1Cc2cccc(N[C@H](C)c3ccc(C#N)cc3)c2C1 ZINC000118443318 1044483812 /nfs/dbraw/zinc/48/38/12/1044483812.db2.gz YJLGDIGVFRCXFF-OAHLLOKOSA-N 1 0 305.425 4.457 20 30 DIEDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000566396587 1044489354 /nfs/dbraw/zinc/48/93/54/1044489354.db2.gz LAAXZXUVDKIKFG-OXQOHEQNSA-N 1 0 320.436 4.225 20 30 DIEDRO CC[N@H+](CCc1ncc(C)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000566558714 1044497764 /nfs/dbraw/zinc/49/77/64/1044497764.db2.gz KDNGZWLEDIAYLD-QGZVFWFLSA-N 1 0 307.441 4.196 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000475563982 1044504408 /nfs/dbraw/zinc/50/44/08/1044504408.db2.gz RRWHEMUQUIECMX-GDBMZVCRSA-N 1 0 300.402 4.185 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ncc(C(C)(C)C)o2)c1 ZINC000262527104 1044515492 /nfs/dbraw/zinc/51/54/92/1044515492.db2.gz LQYDSMREKDVGOC-UHFFFAOYSA-N 1 0 314.433 4.022 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001205980590 1044521247 /nfs/dbraw/zinc/52/12/47/1044521247.db2.gz PWHJLOJPQHZEIQ-OAHLLOKOSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCCc1ccccc1NC(=O)N[C@H](C)C[N@@H+](C)CCCC ZINC000567031895 1044537317 /nfs/dbraw/zinc/53/73/17/1044537317.db2.gz BVUMJMZYSJHWQO-MRXNPFEDSA-N 1 0 317.477 4.047 20 30 DIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000567120985 1044544753 /nfs/dbraw/zinc/54/47/53/1044544753.db2.gz VNVXJWJVTRJBSH-UXHICEINSA-N 1 0 305.425 4.111 20 30 DIEDRO C=C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1C)c1ccccc1 ZINC000909604097 1044558410 /nfs/dbraw/zinc/55/84/10/1044558410.db2.gz NPGUQFXQOMJUHS-GOSISDBHSA-N 1 0 322.452 4.355 20 30 DIEDRO CC[C@H](C)c1ccc([C@H]([NH2+]CCOCCC#N)C(C)C)cc1 ZINC000567357956 1044561379 /nfs/dbraw/zinc/56/13/79/1044561379.db2.gz OSEHDMZRLUEPOO-QFBILLFUSA-N 1 0 302.462 4.417 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000567353638 1044561680 /nfs/dbraw/zinc/56/16/80/1044561680.db2.gz CHWDBGIRVSVHPS-UHFFFAOYSA-N 1 0 317.483 4.387 20 30 DIEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362960350 1044568175 /nfs/dbraw/zinc/56/81/75/1044568175.db2.gz MLKYOZGHZHVVBJ-PBHICJAKSA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000295865491 1044569097 /nfs/dbraw/zinc/56/90/97/1044569097.db2.gz BUMZWBMAPVAIFI-FHSNZYRGSA-N 1 0 310.372 4.260 20 30 DIEDRO CCC[N@H+](CCCCC(C)(C)C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000444641040 1044588567 /nfs/dbraw/zinc/58/85/67/1044588567.db2.gz ONRSITZOLATMFZ-ZACQAIPSSA-N 1 0 306.494 4.232 20 30 DIEDRO CCCCCCC[C@H](C)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000885935927 1044594804 /nfs/dbraw/zinc/59/48/04/1044594804.db2.gz WGDXOHUTWWNGKJ-ROUUACIJSA-N 1 0 311.510 4.301 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000568003469 1044596083 /nfs/dbraw/zinc/59/60/83/1044596083.db2.gz LLBNFXXKNXIHIB-PMACEKPBSA-N 1 0 313.416 4.026 20 30 DIEDRO CN(CCCCC(C)(C)C#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000444687794 1044600626 /nfs/dbraw/zinc/60/06/26/1044600626.db2.gz WNYSZCYOIFSLCW-UHFFFAOYSA-N 1 0 307.526 4.293 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC2)c1 ZINC000886040923 1044602874 /nfs/dbraw/zinc/60/28/74/1044602874.db2.gz HNFUJQHGKXIOTF-GOSISDBHSA-N 1 0 310.441 4.019 20 30 DIEDRO COc1ccc(C2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000363307841 1044603227 /nfs/dbraw/zinc/60/32/27/1044603227.db2.gz WNLIPFLMACALMH-UHFFFAOYSA-N 1 0 300.446 4.205 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccccc2OC(C)C)ccc1C#N ZINC000568351164 1044618582 /nfs/dbraw/zinc/61/85/82/1044618582.db2.gz BJGDQBWNAUCPIX-OAHLLOKOSA-N 1 0 324.424 4.205 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2nc(-c3ccsc3)no2)CCCC1(C)C ZINC000444784003 1044623060 /nfs/dbraw/zinc/62/30/60/1044623060.db2.gz MJCYXKZSECHDJG-CQSZACIVSA-N 1 0 317.458 4.365 20 30 DIEDRO CC[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000568498804 1044629271 /nfs/dbraw/zinc/62/92/71/1044629271.db2.gz LNWQEAYCOZJRRC-HXUWFJFHSA-N 1 0 323.440 4.062 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2nnc(-c3ccccc3)o2)CCCC1(C)C ZINC000444788873 1044630137 /nfs/dbraw/zinc/63/01/37/1044630137.db2.gz YJIRGXTVUJLDEX-INIZCTEOSA-N 1 0 311.429 4.303 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000568791725 1044650663 /nfs/dbraw/zinc/65/06/63/1044650663.db2.gz BLUBUFXFDQSSHJ-GHMZBOCLSA-N 1 0 300.215 4.073 20 30 DIEDRO C=C(C)CN1CC[C@@]2(CC[N@@H+](CCCCC/C=C\CC)C2)C1=O ZINC001275862773 1044652516 /nfs/dbraw/zinc/65/25/16/1044652516.db2.gz OWGZUODCKIKBTH-KKHYBRAUSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCN1CCC2(CC[NH+](CCCCC/C=C\CC)CC2)C1=O ZINC001275862207 1044653050 /nfs/dbraw/zinc/65/30/50/1044653050.db2.gz CTYGIOKNYFCLQQ-WAYWQWQTSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(NCCC)cc2)c1 ZINC000193152780 1044653809 /nfs/dbraw/zinc/65/38/09/1044653809.db2.gz SDIQMRJGWNGEGR-UHFFFAOYSA-N 1 0 310.441 4.363 20 30 DIEDRO Cc1ccc(-c2nc(C[NH+]3CCC(CCC#N)CC3)co2)cc1 ZINC000568862599 1044656433 /nfs/dbraw/zinc/65/64/33/1044656433.db2.gz QMBCHRZUHDBPMC-UHFFFAOYSA-N 1 0 309.413 4.166 20 30 DIEDRO C=C(C)C[N@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000523606086 1044669047 /nfs/dbraw/zinc/66/90/47/1044669047.db2.gz IEXFGVNZROAJAU-QGZVFWFLSA-N 1 0 303.446 4.067 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1C#N ZINC000886689793 1044680836 /nfs/dbraw/zinc/68/08/36/1044680836.db2.gz HTFDKYIUDVWOHQ-ZDUSSCGKSA-N 1 0 312.438 4.145 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1C#N ZINC000886688688 1044681315 /nfs/dbraw/zinc/68/13/15/1044681315.db2.gz XUBJGVGWQJVVFI-QGZVFWFLSA-N 1 0 312.413 4.196 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccnc(Cl)c2)cc1C#N ZINC000886688536 1044681695 /nfs/dbraw/zinc/68/16/95/1044681695.db2.gz UQXCOBULWUSTCM-LLVKDONJSA-N 1 0 317.845 4.179 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)COC3)cc1C#N ZINC000886688010 1044681803 /nfs/dbraw/zinc/68/18/03/1044681803.db2.gz JEACUKCXBLORHE-CYBMUJFWSA-N 1 0 324.449 4.161 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1C#N ZINC000886688627 1044681858 /nfs/dbraw/zinc/68/18/58/1044681858.db2.gz WLUKRAYQDYULMH-QGZVFWFLSA-N 1 0 312.413 4.196 20 30 DIEDRO N#Cc1ccc(F)c(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000523759693 1044683290 /nfs/dbraw/zinc/68/32/90/1044683290.db2.gz HBPDDAUQHHXWMW-UHFFFAOYSA-N 1 0 312.363 4.249 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000155230367 1044686401 /nfs/dbraw/zinc/68/64/01/1044686401.db2.gz QUFKKAWXVBOQKG-OAHLLOKOSA-N 1 0 324.399 4.281 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCCCC(C)(C)C#N)CCC2 ZINC000365442349 1044689751 /nfs/dbraw/zinc/68/97/51/1044689751.db2.gz JKSIAGSUAUBHBS-HNNXBMFYSA-N 1 0 305.491 4.481 20 30 DIEDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717314 1044690318 /nfs/dbraw/zinc/69/03/18/1044690318.db2.gz ZMXUGMOQZABCNH-KGLIPLIRSA-N 1 0 324.428 4.007 20 30 DIEDRO CC(C)c1nc(C2CC[NH+](CCCCC(C)(C)C#N)CC2)no1 ZINC000365631363 1044700770 /nfs/dbraw/zinc/70/07/70/1044700770.db2.gz XFDGUSGQNQSJSN-UHFFFAOYSA-N 1 0 318.465 4.092 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1ccc(C#N)cc1 ZINC000365740772 1044701247 /nfs/dbraw/zinc/70/12/47/1044701247.db2.gz XULLJDODTPCMFA-MOPGFXCFSA-N 1 0 322.408 4.131 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000523939972 1044705989 /nfs/dbraw/zinc/70/59/89/1044705989.db2.gz NHWSIAMLMXYXIG-LBPRGKRZSA-N 1 0 302.399 4.378 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000569860994 1044717390 /nfs/dbraw/zinc/71/73/90/1044717390.db2.gz OVARLJVRKMIDMX-LBPRGKRZSA-N 1 0 318.289 4.245 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc2ccccc21 ZINC000886920732 1044719298 /nfs/dbraw/zinc/71/92/98/1044719298.db2.gz IDYBEIXDQLZABI-VQIMIIECSA-N 1 0 310.441 4.181 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000366770625 1044725638 /nfs/dbraw/zinc/72/56/38/1044725638.db2.gz DMJQEFCZTKZWFH-UHFFFAOYSA-N 1 0 305.853 4.244 20 30 DIEDRO C#CCN(Cc1nc(-c2ccsc2)oc1C)C1CCCC1 ZINC000155802001 1044729461 /nfs/dbraw/zinc/72/94/61/1044729461.db2.gz IDJHCRSABXCZLH-UHFFFAOYSA-N 1 0 300.427 4.089 20 30 DIEDRO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000367058751 1044730158 /nfs/dbraw/zinc/73/01/58/1044730158.db2.gz XGABISOXSQXSAZ-IBGZPJMESA-N 1 0 317.436 4.016 20 30 DIEDRO C=C(CC)C[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC001168084093 1044732294 /nfs/dbraw/zinc/73/22/94/1044732294.db2.gz FVSDKKOSCDDFJM-QQXKLLMISA-N 1 0 320.521 4.137 20 30 DIEDRO C=C(CC)C[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC001168084094 1044733569 /nfs/dbraw/zinc/73/35/69/1044733569.db2.gz FVSDKKOSCDDFJM-ZSXDVEMLSA-N 1 0 320.521 4.137 20 30 DIEDRO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000368082768 1044766170 /nfs/dbraw/zinc/76/61/70/1044766170.db2.gz ZNPMGVPCLKUZPN-HNNXBMFYSA-N 1 0 316.408 4.108 20 30 DIEDRO C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(CC#N)cc1 ZINC000570569401 1044767101 /nfs/dbraw/zinc/76/71/01/1044767101.db2.gz RUXZVMPOPQTOOS-HNNXBMFYSA-N 1 0 304.393 4.220 20 30 DIEDRO CC(C)n1ncc2c1[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000368158814 1044768116 /nfs/dbraw/zinc/76/81/16/1044768116.db2.gz JAONHXNYFXHSTH-KBXCAEBGSA-N 1 0 308.429 4.064 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000524251908 1044778140 /nfs/dbraw/zinc/77/81/40/1044778140.db2.gz RUJWZDHSSCXHQP-HKUYNNGSSA-N 1 0 320.436 4.124 20 30 DIEDRO N#CCCCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000123809039 1044787706 /nfs/dbraw/zinc/78/77/06/1044787706.db2.gz XLLKYOSHUWKFMW-OALUTQOASA-N 1 0 300.446 4.049 20 30 DIEDRO CC(C)c1nc(C2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)no1 ZINC000368944643 1044793776 /nfs/dbraw/zinc/79/37/76/1044793776.db2.gz FHTIUDHJLJDEID-AWEZNQCLSA-N 1 0 324.428 4.005 20 30 DIEDRO C[C@@H]1CN(c2ccc(NCC(C)(C)CCC#N)cc2)C[C@H](C)O1 ZINC000124816556 1044795688 /nfs/dbraw/zinc/79/56/88/1044795688.db2.gz ZYXJGJVAGGTRTC-IYBDPMFKSA-N 1 0 315.461 4.042 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccco1 ZINC000571427300 1044813318 /nfs/dbraw/zinc/81/33/18/1044813318.db2.gz AYTRYPOEGLYKHM-GOSISDBHSA-N 1 0 316.420 4.148 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC000370051640 1044825696 /nfs/dbraw/zinc/82/56/96/1044825696.db2.gz XGPRVQYHMQYHSU-FNHZYXHNSA-N 1 0 324.399 4.152 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000445892159 1044848509 /nfs/dbraw/zinc/84/85/09/1044848509.db2.gz ZMYOGKGTOGXYFO-AWEZNQCLSA-N 1 0 303.755 4.258 20 30 DIEDRO CC[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)Oc1cccc(F)c1 ZINC000572327818 1044855198 /nfs/dbraw/zinc/85/51/98/1044855198.db2.gz ZHXSVYLBUKRPRP-YLJYHZDGSA-N 1 0 324.399 4.132 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(C(F)(F)F)cn1 ZINC000572504231 1044859432 /nfs/dbraw/zinc/85/94/32/1044859432.db2.gz GQETZLHQLLNGJK-UHFFFAOYSA-N 1 0 320.358 4.331 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)s1 ZINC000572683346 1044870049 /nfs/dbraw/zinc/87/00/49/1044870049.db2.gz RGIDETGEBCOALO-INIZCTEOSA-N 1 0 300.427 4.211 20 30 DIEDRO N#CCCC[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000337220657 1044876425 /nfs/dbraw/zinc/87/64/25/1044876425.db2.gz DJEIHWPNZXVXOK-UHFFFAOYSA-N 1 0 314.326 4.270 20 30 DIEDRO C=CCCc1ccccc1NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000337300484 1044881382 /nfs/dbraw/zinc/88/13/82/1044881382.db2.gz PLZNZWFICDMRCA-UHFFFAOYSA-N 1 0 318.424 4.306 20 30 DIEDRO COc1cc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1Cl ZINC000573151788 1044896560 /nfs/dbraw/zinc/89/65/60/1044896560.db2.gz UFIPZDOIYONECM-ZDUSSCGKSA-N 1 0 314.816 4.114 20 30 DIEDRO C=CCN(Cc1nc(-c2ccccc2C)no1)Cc1ccccc1 ZINC000045840803 1044902838 /nfs/dbraw/zinc/90/28/38/1044902838.db2.gz KEOZMQOMLDHXHS-UHFFFAOYSA-N 1 0 319.408 4.233 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(C#N)cc1F ZINC000157410764 1044909277 /nfs/dbraw/zinc/90/92/77/1044909277.db2.gz UJSPBEDQPUWRKP-BZNIZROVSA-N 1 0 300.402 4.487 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)c(F)c1 ZINC000573997967 1044934927 /nfs/dbraw/zinc/93/49/27/1044934927.db2.gz OMVGLKIVRVYLIX-BOUXLOLZSA-N 1 0 324.399 4.268 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000373117627 1044942581 /nfs/dbraw/zinc/94/25/81/1044942581.db2.gz IKYHZIVBBHGJHP-QGZVFWFLSA-N 1 0 310.445 4.003 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2csc(-c3ccccc3)n2)cc1 ZINC000157811318 1044948815 /nfs/dbraw/zinc/94/88/15/1044948815.db2.gz VWHOHSJNTIRDIL-UHFFFAOYSA-N 1 0 319.433 4.014 20 30 DIEDRO C[C@@H](N[C@H](c1ccccc1)c1ccccn1)c1cccc(C#N)c1 ZINC000373222777 1044952501 /nfs/dbraw/zinc/95/25/01/1044952501.db2.gz DHBWRSUHHPQBNG-IIBYNOLFSA-N 1 0 313.404 4.393 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1cccc(C#N)c1 ZINC000373228978 1044954584 /nfs/dbraw/zinc/95/45/84/1044954584.db2.gz LNNJJABNQQNOJU-HNNXBMFYSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000574468500 1044956097 /nfs/dbraw/zinc/95/60/97/1044956097.db2.gz KODNHDKQWPRFDD-ZWKOTPCHSA-N 1 0 304.437 4.227 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(F)ccc1C#N ZINC000574722798 1044966496 /nfs/dbraw/zinc/96/64/96/1044966496.db2.gz RVUQCHFUGIUOLM-LJQANCHMSA-N 1 0 312.388 4.289 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000574684208 1044967417 /nfs/dbraw/zinc/96/74/17/1044967417.db2.gz IBENDMPJPXIUCD-DYVFJYSZSA-N 1 0 301.821 4.214 20 30 DIEDRO CC(C)[N@H+](C)CC1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000574926839 1044977930 /nfs/dbraw/zinc/97/79/30/1044977930.db2.gz OLVYPDGAZIJVFT-UHFFFAOYSA-N 1 0 321.415 4.052 20 30 DIEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135346314 1044978719 /nfs/dbraw/zinc/97/87/19/1044978719.db2.gz IQXHQXAGMJNCTD-RHSMWYFYSA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@H](CCC#N)[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000411250078 1044989805 /nfs/dbraw/zinc/98/98/05/1044989805.db2.gz DYRBLGQZILIODH-QGZVFWFLSA-N 1 0 324.472 4.414 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C12CCCCC2 ZINC000525124383 1044991178 /nfs/dbraw/zinc/99/11/78/1044991178.db2.gz VANOQBIMAOGFRT-RBUKOAKNSA-N 1 0 312.457 4.118 20 30 DIEDRO C=CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000338393279 1044994630 /nfs/dbraw/zinc/99/46/30/1044994630.db2.gz UDQRUNVWRNROGP-UHFFFAOYSA-N 1 0 309.438 4.219 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccco1 ZINC000428447639 1044995020 /nfs/dbraw/zinc/99/50/20/1044995020.db2.gz MXZQAQJYGLWNFK-INIZCTEOSA-N 1 0 323.396 4.169 20 30 DIEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000411315937 1044995671 /nfs/dbraw/zinc/99/56/71/1044995671.db2.gz KCARMFVJWMLJGB-DGCLKSJQSA-N 1 0 313.228 4.139 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1sccc1Br ZINC000575349080 1044995902 /nfs/dbraw/zinc/99/59/02/1044995902.db2.gz YGYOEWSMIJPSGA-SECBINFHSA-N 1 0 301.253 4.101 20 30 DIEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000411399415 1045006197 /nfs/dbraw/zinc/00/61/97/1045006197.db2.gz LGWXNCPJRQLBBE-MNOVXSKESA-N 1 0 317.380 4.034 20 30 DIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc(-n2cccn2)c1 ZINC000411465880 1045008103 /nfs/dbraw/zinc/00/81/03/1045008103.db2.gz YKYNYEVLQLSXPH-QGZVFWFLSA-N 1 0 322.456 4.387 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)ccc1C#N ZINC000575841179 1045012072 /nfs/dbraw/zinc/01/20/72/1045012072.db2.gz ROMSIMVUMVMEQX-HXUWFJFHSA-N 1 0 324.424 4.489 20 30 DIEDRO C[C@@H](CCC#N)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000411523311 1045013030 /nfs/dbraw/zinc/01/30/30/1045013030.db2.gz FBSCKAJYJTVPKL-ZDUSSCGKSA-N 1 0 319.246 4.230 20 30 DIEDRO N#CC1(CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CCCCC1 ZINC000411659709 1045023256 /nfs/dbraw/zinc/02/32/56/1045023256.db2.gz HMRWPAWZNWBPPT-QRVBRYPASA-N 1 0 318.505 4.256 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(N2CCCCC2)cc1 ZINC000151392629 1045023780 /nfs/dbraw/zinc/02/37/80/1045023780.db2.gz HXAVBZQSOCIXQR-QGZVFWFLSA-N 1 0 319.452 4.399 20 30 DIEDRO N#CC1(CC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)CCCCC1 ZINC000411741541 1045027346 /nfs/dbraw/zinc/02/73/46/1045027346.db2.gz ACMYMAUCWMXVHS-UHFFFAOYSA-N 1 0 310.441 4.104 20 30 DIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1nc2c(s1)CCC2 ZINC000411818066 1045031063 /nfs/dbraw/zinc/03/10/63/1045031063.db2.gz KEWFESILFGGUSU-CYBMUJFWSA-N 1 0 303.475 4.147 20 30 DIEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000374164485 1045032735 /nfs/dbraw/zinc/03/27/35/1045032735.db2.gz RDMPDCONDVMOCK-IBGZPJMESA-N 1 0 312.457 4.233 20 30 DIEDRO C[N@H+](CCCSCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017438 1045046434 /nfs/dbraw/zinc/04/64/34/1045046434.db2.gz ZFIHXPVRTRRPOV-QZTJIDSGSA-N 1 0 302.487 4.291 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000153409910 1045054113 /nfs/dbraw/zinc/05/41/13/1045054113.db2.gz ZSAKDTZHCCXOLI-AWEZNQCLSA-N 1 0 324.399 4.337 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1cccc(C#N)c1 ZINC000153706081 1045058511 /nfs/dbraw/zinc/05/85/11/1045058511.db2.gz AVZVDEXAWSPYGF-YVEFUNNKSA-N 1 0 312.800 4.386 20 30 DIEDRO N#CCCCC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000374625809 1045077521 /nfs/dbraw/zinc/07/75/21/1045077521.db2.gz KZJIUGRUTFVAHA-HNNXBMFYSA-N 1 0 314.326 4.270 20 30 DIEDRO CCCc1nc(C)c(C[N@@H+](CCC)Cc2ccc(C#N)cc2)o1 ZINC000428470780 1045102154 /nfs/dbraw/zinc/10/21/54/1045102154.db2.gz RUEYGFQARMZDSG-UHFFFAOYSA-N 1 0 311.429 4.219 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001126624793 1045106333 /nfs/dbraw/zinc/10/63/33/1045106333.db2.gz GDTKRDJWJAQFSS-RCCFBDPRSA-N 1 0 310.526 4.362 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Br)c2cccnc12)C(C)C ZINC000778996527 1045111505 /nfs/dbraw/zinc/11/15/05/1045111505.db2.gz OUFAVNSQIONFGZ-UHFFFAOYSA-N 1 0 319.246 4.394 20 30 DIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCCC(C)(C)C#N)nc2c1 ZINC000577272491 1045112920 /nfs/dbraw/zinc/11/29/20/1045112920.db2.gz HQSRGVBMMDLULS-QGZVFWFLSA-N 1 0 310.445 4.338 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(-c3ccccc3)o2)ccc1C#N ZINC000577376387 1045119595 /nfs/dbraw/zinc/11/95/95/1045119595.db2.gz ZDOLIBPLXVDMOJ-UHFFFAOYSA-N 1 0 318.376 4.117 20 30 DIEDRO CCCC[C@@H](CCC)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000577425112 1045123142 /nfs/dbraw/zinc/12/31/42/1045123142.db2.gz OLBBYCOERZUZTE-GOSISDBHSA-N 1 0 313.489 4.476 20 30 DIEDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000447391508 1045127891 /nfs/dbraw/zinc/12/78/91/1045127891.db2.gz FXNZTMXFWIPBAA-HXUWFJFHSA-N 1 0 314.473 4.269 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000447530762 1045137064 /nfs/dbraw/zinc/13/70/64/1045137064.db2.gz NNRXFNRDIMXFCL-SUMWQHHRSA-N 1 0 308.381 4.089 20 30 DIEDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnn([C@@H](C)C#N)c2)cc1 ZINC000600773869 1045137495 /nfs/dbraw/zinc/13/74/95/1045137495.db2.gz DZRBMCARZVMKAV-KXBFYZLASA-N 1 0 308.429 4.009 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447536078 1045141115 /nfs/dbraw/zinc/14/11/15/1045141115.db2.gz KVRDUUGQLMPFKH-QRWLVFNGSA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000447535612 1045141818 /nfs/dbraw/zinc/14/18/18/1045141818.db2.gz HIWYSSPLHDXEKL-CEXWTWQISA-N 1 0 314.473 4.440 20 30 DIEDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000447549538 1045144656 /nfs/dbraw/zinc/14/46/56/1045144656.db2.gz FGORLGDBLNJCBD-LIRRHRJNSA-N 1 0 312.388 4.126 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447562558 1045148893 /nfs/dbraw/zinc/14/88/93/1045148893.db2.gz MGVFCMGJTBYLEK-CTNGQTDRSA-N 1 0 319.452 4.268 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC3([C@H]4CCCCO4)CCC3)cc2)CC1 ZINC000600859311 1045152910 /nfs/dbraw/zinc/15/29/10/1045152910.db2.gz FVKWMCYMJQXEOT-LJQANCHMSA-N 1 0 324.468 4.071 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](COc2ccccc2)c2ccccc2)C1 ZINC000447586756 1045152882 /nfs/dbraw/zinc/15/28/82/1045152882.db2.gz OPTGNJXEKPSQKP-SLYNCCJLSA-N 1 0 320.436 4.479 20 30 DIEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc2O1 ZINC000447588373 1045154382 /nfs/dbraw/zinc/15/43/82/1045154382.db2.gz UBVPOISDDWNFCU-XPKDYRNWSA-N 1 0 302.393 4.100 20 30 DIEDRO CCCCCn1cc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)c(C)n1 ZINC000447588199 1045155186 /nfs/dbraw/zinc/15/51/86/1045155186.db2.gz STTUWBPMDXYKPD-HXUWFJFHSA-N 1 0 324.472 4.494 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001258044277 1045157990 /nfs/dbraw/zinc/15/79/90/1045157990.db2.gz KUNSMSAMGGNMNE-SOUVJXGZSA-N 1 0 309.416 4.371 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1 ZINC000447602930 1045159809 /nfs/dbraw/zinc/15/98/09/1045159809.db2.gz WGIXZFKJFWNIDE-MOPGFXCFSA-N 1 0 312.457 4.481 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001258049985 1045174965 /nfs/dbraw/zinc/17/49/65/1045174965.db2.gz QVRVQJJJZCPHEF-SFHVURJKSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(N(C(C)=O)C(C)C)CC1 ZINC001258049963 1045175374 /nfs/dbraw/zinc/17/53/74/1045175374.db2.gz QOXVVNZRZBTQHV-QGZVFWFLSA-N 1 0 310.526 4.457 20 30 DIEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)c1ccsc1 ZINC000924659654 1045189443 /nfs/dbraw/zinc/18/94/43/1045189443.db2.gz RAHAYDBDCHIKKG-ZBFHGGJFSA-N 1 0 307.507 4.049 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)CC2CCC2)cc1OCCCC#N ZINC000601154540 1045193297 /nfs/dbraw/zinc/19/32/97/1045193297.db2.gz NKWPLXOKFVRLFQ-OAHLLOKOSA-N 1 0 316.445 4.046 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(C3CC3)CCC2)c(C(F)(F)F)c1 ZINC000557538188 1045196709 /nfs/dbraw/zinc/19/67/09/1045196709.db2.gz PXDAKCBPDCHPJN-UHFFFAOYSA-N 1 0 308.347 4.247 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)CC1 ZINC000601174281 1045197418 /nfs/dbraw/zinc/19/74/18/1045197418.db2.gz RYYSYLCMIFGLKX-UHFFFAOYSA-N 1 0 301.393 4.013 20 30 DIEDRO Cc1[nH]c2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2c1C ZINC000578102304 1045208358 /nfs/dbraw/zinc/20/83/58/1045208358.db2.gz CFTAJBLRKCPMKA-FQEVSTJZSA-N 1 0 315.420 4.434 20 30 DIEDRO CC[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc(C#N)cc1 ZINC000601304688 1045213457 /nfs/dbraw/zinc/21/34/57/1045213457.db2.gz QUXXXKOGZYMIJF-OALUTQOASA-N 1 0 312.457 4.338 20 30 DIEDRO C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc(C#N)cc1F ZINC000601304448 1045213674 /nfs/dbraw/zinc/21/36/74/1045213674.db2.gz OWSWCIYOJKIJPL-KBXCAEBGSA-N 1 0 316.420 4.087 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1ccncc1 ZINC000925074763 1045223985 /nfs/dbraw/zinc/22/39/85/1045223985.db2.gz KBECQXRGCLRLGI-IAGOWNOFSA-N 1 0 313.832 4.414 20 30 DIEDRO CC(C)COc1ccccc1C[NH+]1CCC(CCC#N)CC1 ZINC000578646604 1045260280 /nfs/dbraw/zinc/26/02/80/1045260280.db2.gz CHQUKIFNYKHYSY-UHFFFAOYSA-N 1 0 300.446 4.237 20 30 DIEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000527813825 1045264273 /nfs/dbraw/zinc/26/42/73/1045264273.db2.gz XQGOCYXKQYPBPL-APWZRJJASA-N 1 0 324.468 4.146 20 30 DIEDRO CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000578684794 1045264362 /nfs/dbraw/zinc/26/43/62/1045264362.db2.gz WHPGUGQAOIZOCF-HXUWFJFHSA-N 1 0 320.436 4.433 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000527927174 1045278631 /nfs/dbraw/zinc/27/86/31/1045278631.db2.gz LTYGONBBMKOYOT-CVEARBPZSA-N 1 0 323.864 4.285 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000579145529 1045296864 /nfs/dbraw/zinc/29/68/64/1045296864.db2.gz GYDJGPZTOQYQLU-SFHVURJKSA-N 1 0 312.388 4.289 20 30 DIEDRO CC(C)(C[NH2+]C[C@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000579303003 1045307249 /nfs/dbraw/zinc/30/72/49/1045307249.db2.gz UESLVXYZGMFAGR-ZDUSSCGKSA-N 1 0 323.362 4.016 20 30 DIEDRO CC(C)C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000579465255 1045316993 /nfs/dbraw/zinc/31/69/93/1045316993.db2.gz QEFXQCQDROQQPQ-RHSMWYFYSA-N 1 0 303.837 4.460 20 30 DIEDRO C#CCOc1cccc(Cl)c1CN1CCC[C@H]1c1ccc[nH]1 ZINC000779147751 1045320713 /nfs/dbraw/zinc/32/07/13/1045320713.db2.gz AAEHABOAFZEGLH-KRWDZBQOSA-N 1 0 314.816 4.017 20 30 DIEDRO CCCCCCC[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000779149363 1045323286 /nfs/dbraw/zinc/32/32/86/1045323286.db2.gz IETHUUDXTZZIDK-GOSISDBHSA-N 1 0 303.425 4.209 20 30 DIEDRO C=CCCCC[C@@H](C)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000449043397 1045339220 /nfs/dbraw/zinc/33/92/20/1045339220.db2.gz XUSMNHQNCWCTSB-QGZVFWFLSA-N 1 0 316.489 4.190 20 30 DIEDRO C=CCCCC[C@H](C)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000449041849 1045339485 /nfs/dbraw/zinc/33/94/85/1045339485.db2.gz ORHFASMYJIWDAL-KRWDZBQOSA-N 1 0 316.489 4.190 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000075755688 1045339691 /nfs/dbraw/zinc/33/96/91/1045339691.db2.gz ZQDQGRTWOKSPMM-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(OCC#N)cc1 ZINC000188724508 1045339756 /nfs/dbraw/zinc/33/97/56/1045339756.db2.gz YZDLAGNKAONMCZ-HNNXBMFYSA-N 1 0 306.409 4.317 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(OC(F)F)cc1 ZINC000449070791 1045344351 /nfs/dbraw/zinc/34/43/51/1045344351.db2.gz LITJOFJWVBVADV-MKQDKFQKSA-N 1 0 308.372 4.411 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000449100699 1045346544 /nfs/dbraw/zinc/34/65/44/1045346544.db2.gz SDIZCNTUPSKOJG-UHFFFAOYSA-N 1 0 307.235 4.011 20 30 DIEDRO COc1ccccc1C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)C ZINC000449178619 1045354086 /nfs/dbraw/zinc/35/40/86/1045354086.db2.gz TXRDAGKIXPRRPD-FDYSRKEFSA-N 1 0 314.473 4.324 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000449163315 1045355240 /nfs/dbraw/zinc/35/52/40/1045355240.db2.gz LTNJEYUFIDUCQN-OAHLLOKOSA-N 1 0 315.486 4.472 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCc1csc(N2CCCC2)n1 ZINC000449160370 1045356289 /nfs/dbraw/zinc/35/62/89/1045356289.db2.gz AXTJLQSLHFCFBV-HNNXBMFYSA-N 1 0 307.507 4.010 20 30 DIEDRO CCn1c2ccccc2nc1[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449222547 1045364640 /nfs/dbraw/zinc/36/46/40/1045364640.db2.gz IFUBCINQRIKJNS-XVTSOASTSA-N 1 0 310.445 4.179 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000449255622 1045367331 /nfs/dbraw/zinc/36/73/31/1045367331.db2.gz FSFFZYRIVCMAHA-PCKAHOCUSA-N 1 0 310.363 4.395 20 30 DIEDRO CC(C)C1(C)CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000779194161 1045367552 /nfs/dbraw/zinc/36/75/52/1045367552.db2.gz WJZGEXDFQDTZHI-MRXNPFEDSA-N 1 0 300.446 4.236 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449305314 1045374186 /nfs/dbraw/zinc/37/41/86/1045374186.db2.gz RSPZEIZFDSTIOJ-QIMFLAQGSA-N 1 0 308.347 4.011 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000449305410 1045374623 /nfs/dbraw/zinc/37/46/23/1045374623.db2.gz GCXIRONKNVDSEN-UHFFFAOYSA-N 1 0 313.264 4.073 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c(F)c1 ZINC000449353294 1045384131 /nfs/dbraw/zinc/38/41/31/1045384131.db2.gz ZSNSAGBNSQFXKV-GOSISDBHSA-N 1 0 316.326 4.143 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)o1 ZINC000449447955 1045394760 /nfs/dbraw/zinc/39/47/60/1045394760.db2.gz CRKKZYQRGKWFRJ-MRXNPFEDSA-N 1 0 304.752 4.185 20 30 DIEDRO C=CCC[C@H](CC)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000449472374 1045397763 /nfs/dbraw/zinc/39/77/63/1045397763.db2.gz POONCLKBMBLSGG-KRWDZBQOSA-N 1 0 302.466 4.083 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000449485735 1045401786 /nfs/dbraw/zinc/40/17/86/1045401786.db2.gz OMPNAILNWAGGAF-CYBMUJFWSA-N 1 0 308.853 4.167 20 30 DIEDRO Cc1cc(Cl)ccc1C1=CCN(Cc2ccc(C#N)cn2)CC1 ZINC000528741001 1045406750 /nfs/dbraw/zinc/40/67/50/1045406750.db2.gz LJSMWZYPZORQOJ-UHFFFAOYSA-N 1 0 323.827 4.204 20 30 DIEDRO C[C@H](Nc1cccc(CC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449695540 1045426962 /nfs/dbraw/zinc/42/69/62/1045426962.db2.gz IQSJMKBZZZVIPW-FXAWDEMLSA-N 1 0 319.452 4.075 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000449692019 1045429191 /nfs/dbraw/zinc/42/91/91/1045429191.db2.gz ZQGDCQBFBMUCSS-NVXWUHKLSA-N 1 0 311.454 4.078 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450455155 1045508255 /nfs/dbraw/zinc/50/82/55/1045508255.db2.gz UCZBIDCOKASTTD-USXIJHARSA-N 1 0 304.384 4.194 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001119622428 1045520411 /nfs/dbraw/zinc/52/04/11/1045520411.db2.gz LEFXGPQBJLDZOL-GFCCVEGCSA-N 1 0 314.351 4.046 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC001119776541 1045524651 /nfs/dbraw/zinc/52/46/51/1045524651.db2.gz KUIASBCCQPHIEF-SEVFCGSRSA-N 1 0 320.864 4.336 20 30 DIEDRO C[C@H](C[N@H+](C)CCCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000190361838 1045533188 /nfs/dbraw/zinc/53/31/88/1045533188.db2.gz IAPAXJMKCQXYTP-GFCCVEGCSA-N 1 0 315.244 4.386 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000450643082 1045533000 /nfs/dbraw/zinc/53/30/00/1045533000.db2.gz DGGDNZLHKZSGOV-OAHLLOKOSA-N 1 0 302.368 4.083 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000381741610 1045582901 /nfs/dbraw/zinc/58/29/01/1045582901.db2.gz PAWJODPUMHXAIT-QWRGUYRKSA-N 1 0 302.643 4.330 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC001168126194 1045598500 /nfs/dbraw/zinc/59/85/00/1045598500.db2.gz ONJIGZUFNXWWJM-OAQYLSRUSA-N 1 0 309.453 4.497 20 30 DIEDRO C[C@H](c1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1)C(F)(F)F ZINC000450969044 1045604129 /nfs/dbraw/zinc/60/41/29/1045604129.db2.gz AQWPPHMPWUIVNT-GFCCVEGCSA-N 1 0 314.326 4.180 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)ccc1F ZINC000751503763 1045608372 /nfs/dbraw/zinc/60/83/72/1045608372.db2.gz BQZKCBPUTNCDHJ-LSDHHAIUSA-N 1 0 312.388 4.276 20 30 DIEDRO N#CCC[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccccc1 ZINC000800368502 1045610993 /nfs/dbraw/zinc/61/09/93/1045610993.db2.gz RCCMELQAMVSYOW-ROUUACIJSA-N 1 0 314.816 4.008 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1 ZINC000800482881 1045626956 /nfs/dbraw/zinc/62/69/56/1045626956.db2.gz OVDREZDEISZAMD-TYPHKJRUSA-N 1 0 304.437 4.462 20 30 DIEDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451143195 1045628510 /nfs/dbraw/zinc/62/85/10/1045628510.db2.gz HMMWKYJMFNZCNO-WDMOLILDSA-N 1 0 314.326 4.249 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000451119096 1045628623 /nfs/dbraw/zinc/62/86/23/1045628623.db2.gz YXURQMNZVPCWJX-CQSZACIVSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)cc1 ZINC000800495226 1045632319 /nfs/dbraw/zinc/63/23/19/1045632319.db2.gz LSIBFJJSYDCTBH-RBUKOAKNSA-N 1 0 310.828 4.420 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)cc1 ZINC000190963077 1045635162 /nfs/dbraw/zinc/63/51/62/1045635162.db2.gz LUMZLIOSHRZNRK-UTKZUKDTSA-N 1 0 320.436 4.067 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc(OCC#N)cc1 ZINC000800500466 1045635417 /nfs/dbraw/zinc/63/54/17/1045635417.db2.gz UUWJQSSAVFDXNQ-ZDUSSCGKSA-N 1 0 308.372 4.065 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3cccc(F)c3)CC2)c(F)c1 ZINC000752087382 1045656216 /nfs/dbraw/zinc/65/62/16/1045656216.db2.gz ALZCDJRIAYHZLM-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO Cn1cc(C[N@H+](C)Cc2ccccc2-c2ccccc2)cc1C#N ZINC000191256035 1045670684 /nfs/dbraw/zinc/67/06/84/1045670684.db2.gz ZUUUMFANSJXSMP-UHFFFAOYSA-N 1 0 315.420 4.196 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000900839722 1045671336 /nfs/dbraw/zinc/67/13/36/1045671336.db2.gz FDUPYJLFKPHWON-UHFFFAOYSA-N 1 0 320.502 4.083 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]2CCCF)c1 ZINC000800975262 1045672538 /nfs/dbraw/zinc/67/25/38/1045672538.db2.gz ZGPHLFMLXFUDBY-LMMKCTJWSA-N 1 0 318.436 4.376 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(O)c1 ZINC000800989469 1045678288 /nfs/dbraw/zinc/67/82/88/1045678288.db2.gz DGOUUZGNAJYMRV-LBPRGKRZSA-N 1 0 300.789 4.077 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)CCO)c1ccc(C(F)(F)F)cc1 ZINC000779414363 1045687540 /nfs/dbraw/zinc/68/75/40/1045687540.db2.gz CWWRXFNWYVDRLK-DOMZBBRYSA-N 1 0 301.352 4.073 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451570402 1045696494 /nfs/dbraw/zinc/69/64/94/1045696494.db2.gz PZFZTVMVKYXDPW-CQSZACIVSA-N 1 0 321.262 4.178 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Cl)cc1 ZINC000752786083 1045704568 /nfs/dbraw/zinc/70/45/68/1045704568.db2.gz MEHUAFJGTINXDQ-GOSISDBHSA-N 1 0 312.800 4.019 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000530664834 1045706038 /nfs/dbraw/zinc/70/60/38/1045706038.db2.gz RDBTXLCFBMBCLV-MRXNPFEDSA-N 1 0 314.816 4.159 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000752790327 1045707155 /nfs/dbraw/zinc/70/71/55/1045707155.db2.gz RCPNVSGZUYNXAU-SFHVURJKSA-N 1 0 311.812 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1cccc(C#N)c1 ZINC000451867946 1045740686 /nfs/dbraw/zinc/74/06/86/1045740686.db2.gz LHUKEVVQHYFXTK-DNVCBOLYSA-N 1 0 305.425 4.180 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccsc1 ZINC000801571485 1045743957 /nfs/dbraw/zinc/74/39/57/1045743957.db2.gz ZPECYRXNDWOCOM-LLVKDONJSA-N 1 0 306.818 4.155 20 30 DIEDRO CCCC[N@H+](Cc1ccccc1O)Cc1cccc(C#N)c1F ZINC000801594912 1045748600 /nfs/dbraw/zinc/74/86/00/1045748600.db2.gz DBENTTJXEWHHGN-UHFFFAOYSA-N 1 0 312.388 4.205 20 30 DIEDRO CCCC[N@H+](Cc1ccccc1O)Cc1cc(C#N)ccc1F ZINC000801595802 1045748981 /nfs/dbraw/zinc/74/89/81/1045748981.db2.gz UPTYZTANUUZJBN-UHFFFAOYSA-N 1 0 312.388 4.205 20 30 DIEDRO CCCC[N@H+](Cc1ccccc1O)Cc1ccc(F)cc1C#N ZINC000801597376 1045750051 /nfs/dbraw/zinc/75/00/51/1045750051.db2.gz GFOKHJTURJTEFJ-UHFFFAOYSA-N 1 0 312.388 4.205 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000191862773 1045759592 /nfs/dbraw/zinc/75/95/92/1045759592.db2.gz MCXLWDWIGQGQJE-IBGZPJMESA-N 1 0 310.372 4.043 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000753590705 1045769549 /nfs/dbraw/zinc/76/95/49/1045769549.db2.gz OTJHALPSTFLWDG-ZDUSSCGKSA-N 1 0 320.314 4.160 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(OC(F)F)c1 ZINC000192150481 1045786020 /nfs/dbraw/zinc/78/60/20/1045786020.db2.gz BGCDNBPBBOTNSQ-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO CS[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(C)(C)C ZINC000753741323 1045798296 /nfs/dbraw/zinc/79/82/96/1045798296.db2.gz KBFQRHCQMXDLSU-BBRMVZONSA-N 1 0 306.475 4.017 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000531340477 1045826747 /nfs/dbraw/zinc/82/67/47/1045826747.db2.gz HOIBOHWCJXDHPP-UHFFFAOYSA-N 1 0 306.494 4.378 20 30 DIEDRO CC[N@H+](CCO[C@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000801914614 1045834649 /nfs/dbraw/zinc/83/46/49/1045834649.db2.gz ZACUTSULTXSLDY-OLZOCXBDSA-N 1 0 314.351 4.017 20 30 DIEDRO CC(C)[N@H+](CCO[C@H](C)C#N)Cc1ccc(Cl)c(Cl)c1 ZINC000801912882 1045838455 /nfs/dbraw/zinc/83/84/55/1045838455.db2.gz HMKFRLNTOIQTMN-GFCCVEGCSA-N 1 0 315.244 4.132 20 30 DIEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000754125646 1045849512 /nfs/dbraw/zinc/84/95/12/1045849512.db2.gz XTWZDAVDSQXDNQ-STQMWFEESA-N 1 0 306.837 4.157 20 30 DIEDRO CC[N@H+](CCO[C@H](C)C#N)C(c1ccccc1)c1ccccc1 ZINC000801931972 1045851370 /nfs/dbraw/zinc/85/13/70/1045851370.db2.gz FGAIKUAYPBBMHY-QGZVFWFLSA-N 1 0 308.425 4.027 20 30 DIEDRO CC(C)CC[C@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000801937528 1045852078 /nfs/dbraw/zinc/85/20/78/1045852078.db2.gz PGYGOZUVHSPBQU-YOEHRIQHSA-N 1 0 308.853 4.336 20 30 DIEDRO CCC[C@H]([NH2+]CCO[C@H](C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000801937175 1045852381 /nfs/dbraw/zinc/85/23/81/1045852381.db2.gz GFWQXLRRNVAMIG-ABAIWWIYSA-N 1 0 315.244 4.353 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000801940004 1045853289 /nfs/dbraw/zinc/85/32/89/1045853289.db2.gz TYEQNVPQLQYDOZ-XJKSGUPXSA-N 1 0 308.853 4.336 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000801937764 1045853554 /nfs/dbraw/zinc/85/35/54/1045853554.db2.gz VZXWASBJPINVAJ-CVEARBPZSA-N 1 0 310.397 4.058 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801937606 1045853570 /nfs/dbraw/zinc/85/35/70/1045853570.db2.gz QWILRHRQOQMHOR-SUMWQHHRSA-N 1 0 306.837 4.090 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000801941403 1045853585 /nfs/dbraw/zinc/85/35/85/1045853585.db2.gz NOFKPCHMFVVVDI-STQMWFEESA-N 1 0 302.805 4.072 20 30 DIEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(Cl)c2ccccc21 ZINC000801941402 1045853812 /nfs/dbraw/zinc/85/38/12/1045853812.db2.gz NOFKPCHMFVVVDI-QWHCGFSZSA-N 1 0 302.805 4.072 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000801940023 1045853865 /nfs/dbraw/zinc/85/38/65/1045853865.db2.gz UHXSLMIUDUXJLJ-KSSFIOAISA-N 1 0 320.864 4.480 20 30 DIEDRO CCC1(c2ccc(Cl)cc2)CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801952430 1045860464 /nfs/dbraw/zinc/86/04/64/1045860464.db2.gz WPKZWCLGJWPYDE-HNNXBMFYSA-N 1 0 320.864 4.012 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000631624869 1045889332 /nfs/dbraw/zinc/88/93/32/1045889332.db2.gz KESZBTFKWXUNMO-MDYRTPRTSA-N 1 0 312.457 4.060 20 30 DIEDRO CCC(CC)[N@H+](CC)Cc1ccc(C#N)cc1Br ZINC001137639293 1045912865 /nfs/dbraw/zinc/91/28/65/1045912865.db2.gz WWTPOEDXSJPMAV-UHFFFAOYSA-N 1 0 309.251 4.331 20 30 DIEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1csc2ccccc21 ZINC000754735435 1045923340 /nfs/dbraw/zinc/92/33/40/1045923340.db2.gz UDIAWNYPNWHGFH-UGSOOPFHSA-N 1 0 322.433 4.157 20 30 DIEDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000754737772 1045923749 /nfs/dbraw/zinc/92/37/49/1045923749.db2.gz VFDSBOUALWRNGO-VQTJNVASSA-N 1 0 320.436 4.281 20 30 DIEDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000754737763 1045923828 /nfs/dbraw/zinc/92/38/28/1045923828.db2.gz VFDSBOUALWRNGO-PMACEKPBSA-N 1 0 320.436 4.281 20 30 DIEDRO Cc1cccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1F ZINC001137672757 1045927528 /nfs/dbraw/zinc/92/75/28/1045927528.db2.gz XRIVTNZOCYHOCS-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO Cc1cccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1F ZINC001137678313 1045929352 /nfs/dbraw/zinc/92/93/52/1045929352.db2.gz HVTREFOZGSNNOL-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cnc(SCC)nc1 ZINC001138655037 1045931428 /nfs/dbraw/zinc/93/14/28/1045931428.db2.gz QLOKCDRPOAJRCI-UHFFFAOYSA-N 1 0 313.470 4.167 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000755042567 1045947793 /nfs/dbraw/zinc/94/77/93/1045947793.db2.gz WYBFTGIZZWBAGE-AWEZNQCLSA-N 1 0 317.433 4.366 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000192943962 1045956787 /nfs/dbraw/zinc/95/67/87/1045956787.db2.gz ADNKWMOATRMUDQ-GOSISDBHSA-N 1 0 314.816 4.483 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000755224201 1045967088 /nfs/dbraw/zinc/96/70/88/1045967088.db2.gz YNHHEXHDYFSMEO-OLZOCXBDSA-N 1 0 314.351 4.188 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(NCCC)cc2)cc1 ZINC000193150234 1045972300 /nfs/dbraw/zinc/97/23/00/1045972300.db2.gz ACBLBWVICPZEQN-UHFFFAOYSA-N 1 0 322.452 4.200 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000453242981 1046000637 /nfs/dbraw/zinc/00/06/37/1046000637.db2.gz BZORIAUINHTSCD-GXTWGEPZSA-N 1 0 324.346 4.246 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)c3ccsc32)ccc1C#N ZINC000453247840 1046002715 /nfs/dbraw/zinc/00/27/15/1046002715.db2.gz IDCKVCCYJIXORL-MLGOLLRUSA-N 1 0 312.438 4.357 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2C3CCC2CC3)cc1 ZINC001137902892 1046003507 /nfs/dbraw/zinc/00/35/07/1046003507.db2.gz WTNCUTGXJZNXCK-UHFFFAOYSA-N 1 0 317.436 4.453 20 30 DIEDRO CC[N@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CC1 ZINC001137898228 1046005522 /nfs/dbraw/zinc/00/55/22/1046005522.db2.gz KVAIRYOINJDAAZ-UHFFFAOYSA-N 1 0 305.425 4.310 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788942 1046006465 /nfs/dbraw/zinc/00/64/65/1046006465.db2.gz KESPAKZQKKRCNH-IRXDYDNUSA-N 1 0 323.440 4.150 20 30 DIEDRO C#CC[C@@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000829768249 1046006981 /nfs/dbraw/zinc/00/69/81/1046006981.db2.gz AMAQXNJGFIKYCA-CYBMUJFWSA-N 1 0 302.468 4.107 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000829789579 1046007143 /nfs/dbraw/zinc/00/71/43/1046007143.db2.gz XYSMAORTHBOJFC-LBPRGKRZSA-N 1 0 322.330 4.082 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000453284668 1046014907 /nfs/dbraw/zinc/01/49/07/1046014907.db2.gz BHLLLRAAIFPSQQ-DETPVDSQSA-N 1 0 323.362 4.150 20 30 DIEDRO COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1Cl ZINC000453293508 1046017858 /nfs/dbraw/zinc/01/78/58/1046017858.db2.gz SVGHWQLWJRKAJN-AGIUHOORSA-N 1 0 322.836 4.090 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000453304992 1046027600 /nfs/dbraw/zinc/02/76/00/1046027600.db2.gz GMAYZTYYVLMXSO-GFCCVEGCSA-N 1 0 301.459 4.376 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000802657388 1046028297 /nfs/dbraw/zinc/02/82/97/1046028297.db2.gz ZFQNZXNTIPFUGG-OXQOHEQNSA-N 1 0 324.399 4.048 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000193549213 1046034012 /nfs/dbraw/zinc/03/40/12/1046034012.db2.gz PDERKOHGWWYLLR-LBPRGKRZSA-N 1 0 317.399 4.459 20 30 DIEDRO CNc1ccc(C)cc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000902619529 1046036830 /nfs/dbraw/zinc/03/68/30/1046036830.db2.gz RXUSBJLJSZBKAC-UHFFFAOYSA-N 1 0 305.425 4.077 20 30 DIEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000453346690 1046049771 /nfs/dbraw/zinc/04/97/71/1046049771.db2.gz FXAXHMBSONNMSK-OAHLLOKOSA-N 1 0 303.450 4.177 20 30 DIEDRO COc1ccc(F)c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001137997487 1046049598 /nfs/dbraw/zinc/04/95/98/1046049598.db2.gz LYRPEGBCTVPTBI-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)CCCC(F)(F)F)cc1 ZINC000756081825 1046050539 /nfs/dbraw/zinc/05/05/39/1046050539.db2.gz YICPDOVEHTXTSS-KGLIPLIRSA-N 1 0 313.363 4.470 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001256188904 1046050773 /nfs/dbraw/zinc/05/07/73/1046050773.db2.gz XCBJUZUWBFFIQS-KGLIPLIRSA-N 1 0 321.262 4.006 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cc(C#N)ccn2)C(C)C)cc1 ZINC000902729668 1046050912 /nfs/dbraw/zinc/05/09/12/1046050912.db2.gz KWHVFKHFMDYCDY-KUHUBIRLSA-N 1 0 309.413 4.010 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)CCc1ccc(OC)c(O)c1)c1ccccc1 ZINC000756100758 1046051246 /nfs/dbraw/zinc/05/12/46/1046051246.db2.gz WIJNDUUMYOGZPA-QFBILLFUSA-N 1 0 323.436 4.076 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453381469 1046056779 /nfs/dbraw/zinc/05/67/79/1046056779.db2.gz LEXPEEKOLFRQJY-CWTRNNRKSA-N 1 0 312.363 4.250 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(C#N)cc3F)C2)c1 ZINC000453381738 1046056926 /nfs/dbraw/zinc/05/69/26/1046056926.db2.gz SEBAKQKFOPGDPQ-JQFCIGGWSA-N 1 0 324.399 4.303 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](c3cccs3)C1)CC2 ZINC000453358532 1046058097 /nfs/dbraw/zinc/05/80/97/1046058097.db2.gz DVPKTPPYYOHGJP-KBAYOESNSA-N 1 0 324.449 4.117 20 30 DIEDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)c1 ZINC000902752500 1046058919 /nfs/dbraw/zinc/05/89/19/1046058919.db2.gz KCBXMQJCTWPHDE-IBGZPJMESA-N 1 0 321.424 4.148 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(C#N)c(F)c3)C2)c1 ZINC000453384245 1046060433 /nfs/dbraw/zinc/06/04/33/1046060433.db2.gz UMIDELCMEANAPN-FSPWUOQZSA-N 1 0 324.399 4.303 20 30 DIEDRO CC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000902759696 1046063052 /nfs/dbraw/zinc/06/30/52/1046063052.db2.gz CLWSQKLCSROPHI-NRFANRHFSA-N 1 0 319.452 4.268 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccco1 ZINC000453362526 1046065146 /nfs/dbraw/zinc/06/51/46/1046065146.db2.gz QSFIZQRGNBEMSO-ZIFCJYIRSA-N 1 0 312.413 4.192 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453362622 1046065299 /nfs/dbraw/zinc/06/52/99/1046065299.db2.gz BLZOPGHIXCZDME-HXUWFJFHSA-N 1 0 319.383 4.126 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000902766568 1046065868 /nfs/dbraw/zinc/06/58/68/1046065868.db2.gz NFMMYCXBKKNXBC-BEVDRBHNSA-N 1 0 312.457 4.194 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)c1cc(C#N)ccn1 ZINC000902765303 1046065881 /nfs/dbraw/zinc/06/58/81/1046065881.db2.gz OVPRHBDJEQUQGX-NWDGAFQWSA-N 1 0 319.330 4.384 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)c1cc(C#N)ccn1 ZINC000902791335 1046071458 /nfs/dbraw/zinc/07/14/58/1046071458.db2.gz UMUCDOIXIXDCLK-BFUOFWGJSA-N 1 0 309.388 4.284 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)s2)CC1 ZINC000902795160 1046072461 /nfs/dbraw/zinc/07/24/61/1046072461.db2.gz BBBHTYIJLSGZTQ-LLVKDONJSA-N 1 0 318.408 4.068 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccc(Cl)s1 ZINC000902803579 1046073268 /nfs/dbraw/zinc/07/32/68/1046073268.db2.gz ISNPDVUCKWYHBK-ZYHUDNBSSA-N 1 0 305.834 4.470 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccc(Cl)s1 ZINC000902803578 1046073411 /nfs/dbraw/zinc/07/34/11/1046073411.db2.gz ISNPDVUCKWYHBK-PWSUYJOCSA-N 1 0 305.834 4.470 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)c1ccncc1 ZINC000902805595 1046073858 /nfs/dbraw/zinc/07/38/58/1046073858.db2.gz CNTAGJABRXCCGD-AQNXPRMDSA-N 1 0 314.473 4.274 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)c1ccncc1 ZINC000902805530 1046074231 /nfs/dbraw/zinc/07/42/31/1046074231.db2.gz AXDCKZNSOJZYNZ-BLLLJJGKSA-N 1 0 321.346 4.463 20 30 DIEDRO CC[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cccc(C#N)c1 ZINC000902816616 1046076040 /nfs/dbraw/zinc/07/60/40/1046076040.db2.gz QKIHQLOWULJYKR-VQTJNVASSA-N 1 0 308.425 4.113 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC1CC(F)(F)C1 ZINC000453403847 1046078300 /nfs/dbraw/zinc/07/83/00/1046078300.db2.gz DEQLDPCZZFBKPA-KRWDZBQOSA-N 1 0 304.384 4.351 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)c1cccc(C#N)c1 ZINC000902826646 1046079767 /nfs/dbraw/zinc/07/97/67/1046079767.db2.gz HGPWPPXRUWTYIM-BEVDRBHNSA-N 1 0 312.457 4.194 20 30 DIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902829470 1046081120 /nfs/dbraw/zinc/08/11/20/1046081120.db2.gz ABDABRUAJOPALX-BEFAXECRSA-N 1 0 323.440 4.400 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)c1cccc(C#N)c1 ZINC000902826648 1046081152 /nfs/dbraw/zinc/08/11/52/1046081152.db2.gz HGPWPPXRUWTYIM-RYGJVYDSSA-N 1 0 312.457 4.194 20 30 DIEDRO C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902835934 1046082489 /nfs/dbraw/zinc/08/24/89/1046082489.db2.gz SHTDSLOSFIPFPD-JMERFSKESA-N 1 0 309.388 4.067 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)c1cccc(C#N)c1 ZINC000902842653 1046084720 /nfs/dbraw/zinc/08/47/20/1046084720.db2.gz ZMOCSLFJRJCFTK-NDXORKPFSA-N 1 0 322.452 4.154 20 30 DIEDRO CC1(C)C[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000453420408 1046087779 /nfs/dbraw/zinc/08/77/79/1046087779.db2.gz LNYHCROHHQHWEH-APWZRJJASA-N 1 0 312.457 4.121 20 30 DIEDRO C[C@@H]([NH2+]CC1(Cc2ccccc2)CCC1)c1cc(C#N)ccn1 ZINC000902879197 1046097381 /nfs/dbraw/zinc/09/73/81/1046097381.db2.gz SIHWJXCXJXWLAW-MRXNPFEDSA-N 1 0 305.425 4.017 20 30 DIEDRO C[C@H]([NH2+]CC1(Cc2ccccc2)CCC1)c1cc(C#N)ccn1 ZINC000902879196 1046098079 /nfs/dbraw/zinc/09/80/79/1046098079.db2.gz SIHWJXCXJXWLAW-INIZCTEOSA-N 1 0 305.425 4.017 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1cccc(C#N)c1 ZINC000902880204 1046099490 /nfs/dbraw/zinc/09/94/90/1046099490.db2.gz FXDWPKLJLKEMPH-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)c1c(C)noc1C)[C@@]1(C)CCCCO1 ZINC000902887194 1046101600 /nfs/dbraw/zinc/10/16/00/1046101600.db2.gz ZVFOROKYPWKEHZ-DKSSEZFCSA-N 1 0 320.477 4.279 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C)c1c(C)noc1C)[C@@]1(C)CCCCO1 ZINC000902887197 1046102050 /nfs/dbraw/zinc/10/20/50/1046102050.db2.gz ZVFOROKYPWKEHZ-UCLAIMLFSA-N 1 0 320.477 4.279 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000902894930 1046104335 /nfs/dbraw/zinc/10/43/35/1046104335.db2.gz QDYZIODYSAADGG-DYVFJYSZSA-N 1 0 309.369 4.268 20 30 DIEDRO CC[N@@H+](c1ccc(N[C@H](C)c2cc(C#N)ccn2)cc1)C(C)C ZINC000902899124 1046104495 /nfs/dbraw/zinc/10/44/95/1046104495.db2.gz DQBADYMEALNGHK-OAHLLOKOSA-N 1 0 308.429 4.361 20 30 DIEDRO Cc1cc(Br)cc(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000799344392 1046104951 /nfs/dbraw/zinc/10/49/51/1046104951.db2.gz WKUQHYIKLKSDKO-UHFFFAOYSA-N 1 0 321.262 4.177 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)c1cc(C#N)ccn1 ZINC000902907714 1046106484 /nfs/dbraw/zinc/10/64/84/1046106484.db2.gz ZVVDIKYDKGGZDP-CYBMUJFWSA-N 1 0 311.816 4.337 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756613143 1046110080 /nfs/dbraw/zinc/11/00/80/1046110080.db2.gz YAHUXOKAKKCXMX-LSDHHAIUSA-N 1 0 324.415 4.201 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756613141 1046110746 /nfs/dbraw/zinc/11/07/46/1046110746.db2.gz YAHUXOKAKKCXMX-GJZGRUSLSA-N 1 0 324.415 4.201 20 30 DIEDRO CCC[C@H]([NH2+]Cc1cccc(O[C@@H](C#N)CC)c1)c1cccnc1 ZINC000756709699 1046122157 /nfs/dbraw/zinc/12/21/57/1046122157.db2.gz NPYPGUBHQXGGBL-QUCCMNQESA-N 1 0 323.440 4.394 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2c(cc1O)CCCC2 ZINC000756731864 1046124583 /nfs/dbraw/zinc/12/45/83/1046124583.db2.gz JLTZDCKUIWJVES-CYBMUJFWSA-N 1 0 324.399 4.133 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)c1nccs1)[C@@]1(C)CCCCO1 ZINC000902951293 1046125196 /nfs/dbraw/zinc/12/51/96/1046125196.db2.gz MZOWNGBZCXCXMN-HLLBOEOZSA-N 1 0 308.491 4.130 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cc(C#N)ccn1 ZINC000902979064 1046135958 /nfs/dbraw/zinc/13/59/58/1046135958.db2.gz OGANTAJQWDQCMB-XCRHUMRWSA-N 1 0 309.388 4.079 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902981254 1046136119 /nfs/dbraw/zinc/13/61/19/1046136119.db2.gz KBDBZXVPSVXJFV-HIFPTAJRSA-N 1 0 311.351 4.081 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000903005324 1046139663 /nfs/dbraw/zinc/13/96/63/1046139663.db2.gz SFZGRQVOSDYINZ-KFKAGJAMSA-N 1 0 305.425 4.188 20 30 DIEDRO C[C@@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)c1cc(C#N)ccn1 ZINC000903012796 1046140924 /nfs/dbraw/zinc/14/09/24/1046140924.db2.gz UCWGBSSFQHJHMY-CYBMUJFWSA-N 1 0 311.816 4.033 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@@H](CCc1cccnc1)c1ccccc1 ZINC000903018086 1046143149 /nfs/dbraw/zinc/14/31/49/1046143149.db2.gz XBWBKUMFRSOPDY-IBGZPJMESA-N 1 0 307.441 4.285 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1cccc(C#N)c1 ZINC000903024119 1046145300 /nfs/dbraw/zinc/14/53/00/1046145300.db2.gz VCSPOIJGIOLJFI-SJORKVTESA-N 1 0 300.471 4.132 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CCCCC1 ZINC000903053977 1046148450 /nfs/dbraw/zinc/14/84/50/1046148450.db2.gz SYKTZBOORJPNBF-ZWKOTPCHSA-N 1 0 304.478 4.035 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000831556547 1046148956 /nfs/dbraw/zinc/14/89/56/1046148956.db2.gz WBYREGBOTXONDC-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000831556554 1046149478 /nfs/dbraw/zinc/14/94/78/1046149478.db2.gz WBYREGBOTXONDC-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO FC1(F)CC2(C[NH+](Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001138333806 1046153186 /nfs/dbraw/zinc/15/31/86/1046153186.db2.gz REXUEXZDGQZVPX-UHFFFAOYSA-N 1 0 323.386 4.318 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000903070600 1046154172 /nfs/dbraw/zinc/15/41/72/1046154172.db2.gz AMXIQVZUMHCREK-AQNXPRMDSA-N 1 0 306.409 4.129 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1cccc(C#N)c1 ZINC000903069829 1046155209 /nfs/dbraw/zinc/15/52/09/1046155209.db2.gz KGOWFFWNDQXASV-LIRRHRJNSA-N 1 0 324.424 4.377 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(C#N)c1 ZINC000903077527 1046156833 /nfs/dbraw/zinc/15/68/33/1046156833.db2.gz KYPJZMVSLNXFDR-LRDDRELGSA-N 1 0 321.380 4.207 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccccc1 ZINC000756997223 1046157423 /nfs/dbraw/zinc/15/74/23/1046157423.db2.gz WJWTYPRKDMHUQE-LJQANCHMSA-N 1 0 305.421 4.254 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(C#N)c1 ZINC000903077529 1046157773 /nfs/dbraw/zinc/15/77/73/1046157773.db2.gz KYPJZMVSLNXFDR-WBMJQRKESA-N 1 0 321.380 4.207 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)c1ccccc1 ZINC000756995384 1046157783 /nfs/dbraw/zinc/15/77/83/1046157783.db2.gz HLFSBRANZQTPIS-IBGZPJMESA-N 1 0 323.436 4.337 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OCC=C)c(OC)c1)c1ccccc1 ZINC000756997606 1046158303 /nfs/dbraw/zinc/15/83/03/1046158303.db2.gz ZBIUYVRUSPGXOM-LJQANCHMSA-N 1 0 321.420 4.114 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccccc1 ZINC000756998710 1046159399 /nfs/dbraw/zinc/15/93/99/1046159399.db2.gz ZXHAZYZDJXTGMQ-OAHLLOKOSA-N 1 0 320.255 4.365 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccccc1 ZINC000756998505 1046159611 /nfs/dbraw/zinc/15/96/11/1046159611.db2.gz XEXFQKYGLAQYAE-KRWDZBQOSA-N 1 0 314.226 4.303 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnn(CC)c1)c1cccc(Cl)c1 ZINC000903121987 1046167054 /nfs/dbraw/zinc/16/70/54/1046167054.db2.gz UXDBVKAIYOEPAD-QGZVFWFLSA-N 1 0 303.837 4.354 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnn(C)c1C)c1cccc(Cl)c1 ZINC000903129895 1046169399 /nfs/dbraw/zinc/16/93/99/1046169399.db2.gz JJYGTBTXZKYLQP-KRWDZBQOSA-N 1 0 303.837 4.179 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000903132026 1046171337 /nfs/dbraw/zinc/17/13/37/1046171337.db2.gz WBGGXHVEPLCSAT-LIRRHRJNSA-N 1 0 324.380 4.019 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(Cl)c1 ZINC000903216781 1046196504 /nfs/dbraw/zinc/19/65/04/1046196504.db2.gz ILNDUKTWNGIIDJ-WMLDXEAASA-N 1 0 321.848 4.280 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000757650123 1046197185 /nfs/dbraw/zinc/19/71/85/1046197185.db2.gz KXCNVYKAZZXIGY-MRXNPFEDSA-N 1 0 308.425 4.458 20 30 DIEDRO C=CCC[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc(Cl)c1 ZINC000903226314 1046197959 /nfs/dbraw/zinc/19/79/59/1046197959.db2.gz KRBSUKJOSRMMRV-KRWDZBQOSA-N 1 0 321.848 4.090 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCO2)c1cccc(C#N)c1 ZINC000903234330 1046201754 /nfs/dbraw/zinc/20/17/54/1046201754.db2.gz MURPFONKCJSYPL-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCC(S)CC3)cc2)cc1 ZINC001138516257 1046208222 /nfs/dbraw/zinc/20/82/22/1046208222.db2.gz JIACCCCBPGWKQW-UHFFFAOYSA-N 1 0 313.466 4.256 20 30 DIEDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C#N)CC3)cc2)cc1 ZINC001138516474 1046208705 /nfs/dbraw/zinc/20/87/05/1046208705.db2.gz MHOSKEOICXVGMT-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)sc2C)cc1C#N ZINC000087823636 1046211537 /nfs/dbraw/zinc/21/15/37/1046211537.db2.gz OGBFYRLOHFHAIT-LBPRGKRZSA-N 1 0 300.427 4.096 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cccc(Cl)c1 ZINC000903273737 1046218631 /nfs/dbraw/zinc/21/86/31/1046218631.db2.gz CSLCIZVCNIDSJJ-QGZVFWFLSA-N 1 0 321.827 4.303 20 30 DIEDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198181 1046222136 /nfs/dbraw/zinc/22/21/36/1046222136.db2.gz SNWFUEGRJUMSTA-UZLBHIALSA-N 1 0 320.436 4.225 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC001138559046 1046226415 /nfs/dbraw/zinc/22/64/15/1046226415.db2.gz NAMQOOBIEHAWIX-OAQYLSRUSA-N 1 0 321.420 4.044 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(CCC#N)cc2)C1 ZINC000903297737 1046229156 /nfs/dbraw/zinc/22/91/56/1046229156.db2.gz JMZVFBJVGNAMBC-LAUBAEHRSA-N 1 0 319.452 4.390 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000245506384 1046237921 /nfs/dbraw/zinc/23/79/21/1046237921.db2.gz NWSBZCNOUUVJEJ-JXFKEZNVSA-N 1 0 306.409 4.315 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000245506386 1046238284 /nfs/dbraw/zinc/23/82/84/1046238284.db2.gz NWSBZCNOUUVJEJ-UZLBHIALSA-N 1 0 306.409 4.315 20 30 DIEDRO C=CCc1cccc(C[N@H+](CC)Cc2cccc(OC)c2)c1O ZINC001138628488 1046246075 /nfs/dbraw/zinc/24/60/75/1046246075.db2.gz VMPGAMWZLPPLBP-UHFFFAOYSA-N 1 0 311.425 4.151 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CC=C(c3ccccc3)CC2)c1O ZINC001138628202 1046247643 /nfs/dbraw/zinc/24/76/43/1046247643.db2.gz QJXNZAJXJCKTJW-UHFFFAOYSA-N 1 0 305.421 4.410 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1O ZINC001138629220 1046247792 /nfs/dbraw/zinc/24/77/92/1046247792.db2.gz QXCDFSCGOKIRIK-INIZCTEOSA-N 1 0 311.400 4.249 20 30 DIEDRO C=CCc1cccc(C[N@@H+](C)[C@H](C)c2ccccc2OC)c1O ZINC001138628628 1046248174 /nfs/dbraw/zinc/24/81/74/1046248174.db2.gz ZBWRUUDAYMQHBY-OAHLLOKOSA-N 1 0 311.425 4.322 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903335945 1046249089 /nfs/dbraw/zinc/24/90/89/1046249089.db2.gz VGSJVPFLDHGPIL-ICSRJNTNSA-N 1 0 303.409 4.072 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903336539 1046249734 /nfs/dbraw/zinc/24/97/34/1046249734.db2.gz ZXTLDHZBZQOQSH-FPOVZHCZSA-N 1 0 317.436 4.462 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)cc1 ZINC000245660270 1046252548 /nfs/dbraw/zinc/25/25/48/1046252548.db2.gz FQKQLIFTLQNOAO-GCKMJXCFSA-N 1 0 320.436 4.391 20 30 DIEDRO N#C[C@H]1CCCN(Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001138659446 1046256268 /nfs/dbraw/zinc/25/62/68/1046256268.db2.gz CAYNTWPYRANQGP-GOSISDBHSA-N 1 0 324.399 4.140 20 30 DIEDRO N#C[C@@H]1CCCN(Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001138659447 1046257440 /nfs/dbraw/zinc/25/74/40/1046257440.db2.gz CAYNTWPYRANQGP-SFHVURJKSA-N 1 0 324.399 4.140 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000666238509 1046267465 /nfs/dbraw/zinc/26/74/65/1046267465.db2.gz CRXSWPDASCJEEZ-WMLDXEAASA-N 1 0 322.408 4.371 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1ccc(C#N)cc1 ZINC000903405731 1046267595 /nfs/dbraw/zinc/26/75/95/1046267595.db2.gz QTQPTSLECWNCLW-YWZLYKJASA-N 1 0 322.456 4.357 20 30 DIEDRO CC(C)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000758517938 1046275731 /nfs/dbraw/zinc/27/57/31/1046275731.db2.gz LTLRYMLDCBBSBZ-IEZWGBDMSA-N 1 0 300.446 4.139 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903429449 1046279122 /nfs/dbraw/zinc/27/91/22/1046279122.db2.gz UGNRDIIFFOZSFM-UXHICEINSA-N 1 0 303.409 4.072 20 30 DIEDRO COc1ccc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)cc1C#N ZINC000758639960 1046282846 /nfs/dbraw/zinc/28/28/46/1046282846.db2.gz MIIARKVBQVNOMQ-FQEVSTJZSA-N 1 0 324.399 4.255 20 30 DIEDRO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](C)CCC#N)CC2)c(C)c1 ZINC000637943518 1046287814 /nfs/dbraw/zinc/28/78/14/1046287814.db2.gz GDAOXXSXRYITHP-INIZCTEOSA-N 1 0 312.457 4.138 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138780659 1046291785 /nfs/dbraw/zinc/29/17/85/1046291785.db2.gz YMDBQMBQDIKMFX-SFHVURJKSA-N 1 0 307.482 4.375 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCC2(C)C)ccc1OC ZINC000089632511 1046294796 /nfs/dbraw/zinc/29/47/96/1046294796.db2.gz ZKXKSZJUAWVBNV-QAPCUYQASA-N 1 0 316.445 4.044 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000089632421 1046294832 /nfs/dbraw/zinc/29/48/32/1046294832.db2.gz JQFXHBLOPLRYKU-ZMSDIMECSA-N 1 0 316.445 4.066 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000610511682 1046300144 /nfs/dbraw/zinc/30/01/44/1046300144.db2.gz YMRFLDLEXCFYEL-AAEUAGOBSA-N 1 0 302.365 4.078 20 30 DIEDRO Cc1ccc2cc(CN3CCC(C)(C#N)CC3)c(Cl)nc2c1 ZINC001138862952 1046312384 /nfs/dbraw/zinc/31/23/84/1046312384.db2.gz WANYFABQVDOBMV-UHFFFAOYSA-N 1 0 313.832 4.322 20 30 DIEDRO CCCCOc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC001138954774 1046339379 /nfs/dbraw/zinc/33/93/79/1046339379.db2.gz ACIQEHVUOANDTK-UHFFFAOYSA-N 1 0 308.425 4.369 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC(=O)CC)cc1)C1CCCCC1 ZINC001138965752 1046343838 /nfs/dbraw/zinc/34/38/38/1046343838.db2.gz BADWHOBQDGLPFI-UHFFFAOYSA-N 1 0 301.430 4.323 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC001202883223 1046349388 /nfs/dbraw/zinc/34/93/88/1046349388.db2.gz CDOGPHLMJFQWDA-PXNSSMCTSA-N 1 0 309.409 4.160 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000748224164 1046356886 /nfs/dbraw/zinc/35/68/86/1046356886.db2.gz KIODCHMRSMEJPW-IBGZPJMESA-N 1 0 322.537 4.317 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000748270200 1046362559 /nfs/dbraw/zinc/36/25/59/1046362559.db2.gz UTRYADUVXSSIMZ-ORAYPTAESA-N 1 0 310.372 4.066 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000121845273 1046362863 /nfs/dbraw/zinc/36/28/63/1046362863.db2.gz OEBPOJSMNQKWEF-JLTOFOAXSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCOc1ccccc1C[N@H+](C)CC/C=C/c1cccnc1 ZINC001139030698 1046363424 /nfs/dbraw/zinc/36/34/24/1046363424.db2.gz SBTKDUKRWDSTSH-RMKNXTFCSA-N 1 0 308.425 4.182 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001139030332 1046363952 /nfs/dbraw/zinc/36/39/52/1046363952.db2.gz JOOLVAGTGZWXHY-IBGZPJMESA-N 1 0 308.425 4.292 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001139030742 1046364156 /nfs/dbraw/zinc/36/41/56/1046364156.db2.gz SQEFQTRWROVPKW-SFHVURJKSA-N 1 0 323.436 4.250 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+](C)Cc1cccc2cccnc21 ZINC001139029526 1046364826 /nfs/dbraw/zinc/36/48/26/1046364826.db2.gz CAKAFEXBTXOFTQ-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO CCCN(CCC#N)Cc1ccc(-c2ccccc2OC)cc1 ZINC001139036505 1046366976 /nfs/dbraw/zinc/36/69/76/1046366976.db2.gz QZHQKZTTYGZBAB-UHFFFAOYSA-N 1 0 308.425 4.488 20 30 DIEDRO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001139036451 1046367288 /nfs/dbraw/zinc/36/72/88/1046367288.db2.gz PSPHDDZCNDPGEC-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC001139034788 1046367573 /nfs/dbraw/zinc/36/75/73/1046367573.db2.gz ZUFIEMKGPOBBMZ-UHFFFAOYSA-N 1 0 305.421 4.207 20 30 DIEDRO C=CCC1([NH2+][C@@H](C)CCc2c[nH]c3ccccc23)CCOCC1 ZINC000639316249 1046378962 /nfs/dbraw/zinc/37/89/62/1046378962.db2.gz WQUUOOKQWGGZPY-INIZCTEOSA-N 1 0 312.457 4.204 20 30 DIEDRO C=CCC1([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CCOCC1 ZINC000639313914 1046379755 /nfs/dbraw/zinc/37/97/55/1046379755.db2.gz BDNKCIGKQCZYTL-ZDUSSCGKSA-N 1 0 311.828 4.125 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000796639514 1046379768 /nfs/dbraw/zinc/37/97/68/1046379768.db2.gz NZOJMQUSGLCRLJ-UHFFFAOYSA-N 1 0 302.421 4.123 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(CCOC)CC2)cc1 ZINC000090535591 1046381317 /nfs/dbraw/zinc/38/13/17/1046381317.db2.gz MCXUCQOSLPGXNY-HNNXBMFYSA-N 1 0 323.864 4.285 20 30 DIEDRO COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(S)CC1 ZINC001139070935 1046381287 /nfs/dbraw/zinc/38/12/87/1046381287.db2.gz ZSKJHFYZBNAOFY-UHFFFAOYSA-N 1 0 313.466 4.256 20 30 DIEDRO CCn1ccc2c1cccc2C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001139154882 1046393969 /nfs/dbraw/zinc/39/39/69/1046393969.db2.gz YYMQNXNQQPXWIE-UHFFFAOYSA-N 1 0 303.409 4.165 20 30 DIEDRO CCn1ccc2c1cccc2C[N@H+](C)Cc1cccc(C#N)c1 ZINC001139155167 1046398375 /nfs/dbraw/zinc/39/83/75/1046398375.db2.gz IDDATLXKLFRIHE-UHFFFAOYSA-N 1 0 303.409 4.165 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780727707 1046400024 /nfs/dbraw/zinc/40/00/24/1046400024.db2.gz FFXYRWXHRBUMEY-RRQGHBQHSA-N 1 0 316.445 4.251 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780727597 1046400147 /nfs/dbraw/zinc/40/01/47/1046400147.db2.gz DAMFXBFMDBISFN-CABCVRRESA-N 1 0 322.836 4.039 20 30 DIEDRO CCCCCCCCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000748765889 1046402857 /nfs/dbraw/zinc/40/28/57/1046402857.db2.gz KBNMGNZNYWYEDP-UHFFFAOYSA-N 1 0 308.510 4.260 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)cc1 ZINC000780746700 1046403791 /nfs/dbraw/zinc/40/37/91/1046403791.db2.gz QHPPQDMWUJTWJH-UXLLHSPISA-N 1 0 323.864 4.284 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[NH+](C1CCC1)C1CCC1 ZINC000795476118 1046417087 /nfs/dbraw/zinc/41/70/87/1046417087.db2.gz LPOPOZLMQOXPPQ-UHFFFAOYSA-N 1 0 304.821 4.149 20 30 DIEDRO CCCCCCCC[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC001168208408 1046422251 /nfs/dbraw/zinc/42/22/51/1046422251.db2.gz PBWMBAHEIYVLTI-UHFFFAOYSA-N 1 0 300.487 4.146 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)s1 ZINC001139294117 1046425691 /nfs/dbraw/zinc/42/56/91/1046425691.db2.gz OGTWJOUIDMCABJ-UHFFFAOYSA-N 1 0 324.534 4.111 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)C2CCCCC2)c1 ZINC000749129733 1046432562 /nfs/dbraw/zinc/43/25/62/1046432562.db2.gz SUHKBOSBOGCNAZ-CRAIPNDOSA-N 1 0 300.446 4.426 20 30 DIEDRO C=CCC1(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000826726892 1046443152 /nfs/dbraw/zinc/44/31/52/1046443152.db2.gz CUALDQJJJMBWMY-UHFFFAOYSA-N 1 0 318.505 4.036 20 30 DIEDRO CC(C)C1CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139405252 1046443314 /nfs/dbraw/zinc/44/33/14/1046443314.db2.gz LUUUQFAHIKSPNS-UHFFFAOYSA-N 1 0 319.452 4.488 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139402678 1046443841 /nfs/dbraw/zinc/44/38/41/1046443841.db2.gz WDRCCVXNOWNYHH-MRXNPFEDSA-N 1 0 305.425 4.242 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CC4(C3)CCCCC4)cc2)c1 ZINC001139405575 1046443927 /nfs/dbraw/zinc/44/39/27/1046443927.db2.gz UZYSGUHOZXNOPG-UHFFFAOYSA-N 1 0 317.436 4.386 20 30 DIEDRO C[C@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C#N)cc1F ZINC000781422951 1046444153 /nfs/dbraw/zinc/44/41/53/1046444153.db2.gz RQROMJHQCACUST-LBPRGKRZSA-N 1 0 315.367 4.071 20 30 DIEDRO C[N@H+](Cc1ccsc1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407071 1046445644 /nfs/dbraw/zinc/44/56/44/1046445644.db2.gz OQWMLSARXXLIGB-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC001254654870 1046447408 /nfs/dbraw/zinc/44/74/08/1046447408.db2.gz XUKXINGEJMVZGS-TUKIKUTGSA-N 1 0 307.235 4.182 20 30 DIEDRO CC(C)[NH+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C(C)C ZINC001139424919 1046448943 /nfs/dbraw/zinc/44/89/43/1046448943.db2.gz WGVRCPFYJMIXSG-UHFFFAOYSA-N 1 0 309.413 4.364 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424298 1046449283 /nfs/dbraw/zinc/44/92/83/1046449283.db2.gz OVLUMKPVFZZCJN-OAHLLOKOSA-N 1 0 307.397 4.120 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cn(Cc2ccccc2)nn1 ZINC001139488844 1046456707 /nfs/dbraw/zinc/45/67/07/1046456707.db2.gz QFBHVZUGAHSOJE-UHFFFAOYSA-N 1 0 314.477 4.119 20 30 DIEDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(C#N)c(F)c1 ZINC001139529877 1046463296 /nfs/dbraw/zinc/46/32/96/1046463296.db2.gz FWRXCDJABQZBPU-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001139531143 1046464837 /nfs/dbraw/zinc/46/48/37/1046464837.db2.gz NRUPQICAASSZEX-UHFFFAOYSA-N 1 0 308.400 4.251 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1)c1ccncc1 ZINC000781895544 1046484254 /nfs/dbraw/zinc/48/42/54/1046484254.db2.gz BTKZBELZZAETRA-KUHUBIRLSA-N 1 0 309.413 4.008 20 30 DIEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1nnc(-c2ccccc2)o1 ZINC000127490031 1046485192 /nfs/dbraw/zinc/48/51/92/1046485192.db2.gz UAAUIHSKXHSFLQ-UONOGXRCSA-N 1 0 318.380 4.020 20 30 DIEDRO N#CCC1CC[NH+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000782088924 1046494631 /nfs/dbraw/zinc/49/46/31/1046494631.db2.gz PHPPNCZJYROTDM-UHFFFAOYSA-N 1 0 314.376 4.424 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001139649688 1046494628 /nfs/dbraw/zinc/49/46/28/1046494628.db2.gz ZDZNXEKNWPHQCX-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001139649899 1046495379 /nfs/dbraw/zinc/49/53/79/1046495379.db2.gz IJCIEVHPKOZSAW-UHFFFAOYSA-N 1 0 308.400 4.251 20 30 DIEDRO COc1cccc([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001139650280 1046495667 /nfs/dbraw/zinc/49/56/67/1046495667.db2.gz YSIGBZGTJXGVGG-KRWDZBQOSA-N 1 0 324.399 4.086 20 30 DIEDRO CC(C)(C)c1ccc(CC=[NH+]n2cnnc2-c2ccccc2)cc1 ZINC000782184632 1046497904 /nfs/dbraw/zinc/49/79/04/1046497904.db2.gz KCBBBSANVFSAGH-UHFFFAOYSA-N 1 0 318.424 4.319 20 30 DIEDRO N#Cc1cccc2c(C[NH+]3CCC(c4ccccc4)CC3)c[nH]c21 ZINC001139702402 1046500618 /nfs/dbraw/zinc/50/06/18/1046500618.db2.gz DCICJACQPPLHMS-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CC[C@H](C4CCCCC4)C3)c[nH]c21 ZINC001139706503 1046501307 /nfs/dbraw/zinc/50/13/07/1046501307.db2.gz WTRHCDHKGUTPBA-KRWDZBQOSA-N 1 0 307.441 4.442 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1c[nH]c2c1cccc2C#N ZINC001139703870 1046501688 /nfs/dbraw/zinc/50/16/88/1046501688.db2.gz WGENZRLBAKKQJP-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO Cc1cccc(CC[N@@H+](C)Cc2c[nH]c3c2cccc3C#N)c1 ZINC001139702934 1046502493 /nfs/dbraw/zinc/50/24/93/1046502493.db2.gz DCUKHLIDBVVFQT-UHFFFAOYSA-N 1 0 303.409 4.023 20 30 DIEDRO Cc1cc(O)cc(C)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001139711412 1046504876 /nfs/dbraw/zinc/50/48/76/1046504876.db2.gz FEEIHTPFCFIMLV-UHFFFAOYSA-N 1 0 320.436 4.066 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1C#N ZINC001139726197 1046505612 /nfs/dbraw/zinc/50/56/12/1046505612.db2.gz ZAANHNOOWGEJSQ-UHFFFAOYSA-N 1 0 315.420 4.118 20 30 DIEDRO C=CCn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2SC)cn1 ZINC001139771156 1046515628 /nfs/dbraw/zinc/51/56/28/1046515628.db2.gz PXXDWWHZQDAPGY-QGZVFWFLSA-N 1 0 313.470 4.128 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001139823563 1046527330 /nfs/dbraw/zinc/52/73/30/1046527330.db2.gz QZQVMCFGEOHTHH-HNNXBMFYSA-N 1 0 311.454 4.244 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1C[NH+]1CCC(C)(C#N)CC1 ZINC001139823831 1046527699 /nfs/dbraw/zinc/52/76/99/1046527699.db2.gz TWEMWPFQXPBKSZ-UHFFFAOYSA-N 1 0 311.454 4.244 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000782543245 1046536193 /nfs/dbraw/zinc/53/61/93/1046536193.db2.gz GWFWTWNNCBHJLT-SWLSCSKDSA-N 1 0 314.351 4.044 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1 ZINC000782544830 1046536424 /nfs/dbraw/zinc/53/64/24/1046536424.db2.gz XBBPRHXPPNBOGR-INIZCTEOSA-N 1 0 313.363 4.155 20 30 DIEDRO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001139876253 1046539446 /nfs/dbraw/zinc/53/94/46/1046539446.db2.gz OKEHOHPCMZXDNM-LJQANCHMSA-N 1 0 308.400 4.467 20 30 DIEDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(F)cc(C#N)c1 ZINC001139878408 1046539968 /nfs/dbraw/zinc/53/99/68/1046539968.db2.gz KTNIZDXHQAFVLI-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(CCc4ccccc43)CC2)c1 ZINC001139877855 1046540991 /nfs/dbraw/zinc/54/09/91/1046540991.db2.gz VYWDIOLHTQLNIF-UHFFFAOYSA-N 1 0 320.411 4.177 20 30 DIEDRO C=CCc1cc(C[N@H+](C2CC2)C2CCCC2)cc(OC)c1O ZINC000536632110 1046569897 /nfs/dbraw/zinc/56/98/97/1046569897.db2.gz MFLIVGGHTXLQEZ-UHFFFAOYSA-N 1 0 301.430 4.036 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000783252643 1046570143 /nfs/dbraw/zinc/57/01/43/1046570143.db2.gz DECGBJVDIUXRFF-QUCCMNQESA-N 1 0 308.400 4.297 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000783299658 1046574558 /nfs/dbraw/zinc/57/45/58/1046574558.db2.gz SCKDPYPOZYCKJI-JKSUJKDBSA-N 1 0 310.482 4.110 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccn1 ZINC000729678892 1046575624 /nfs/dbraw/zinc/57/56/24/1046575624.db2.gz LSEMYJAZOCBBFN-QAPCUYQASA-N 1 0 309.413 4.003 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)nc1 ZINC000783299407 1046577213 /nfs/dbraw/zinc/57/72/13/1046577213.db2.gz BYMIQGNJLJPAQY-FUHWJXTLSA-N 1 0 311.816 4.033 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(C)(C)OCC)cc1 ZINC000783314000 1046580412 /nfs/dbraw/zinc/58/04/12/1046580412.db2.gz WXOUUNOIUWWBPJ-AWEZNQCLSA-N 1 0 311.853 4.284 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000678212576 1046586524 /nfs/dbraw/zinc/58/65/24/1046586524.db2.gz JKRJZJHLCAYIQW-HXUWFJFHSA-N 1 0 309.409 4.294 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC(c4ccccc4)CC3)c2c1 ZINC001140111676 1046590704 /nfs/dbraw/zinc/59/07/04/1046590704.db2.gz CAJSWCIKBFDUTN-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO CCC[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1 ZINC001140113828 1046592219 /nfs/dbraw/zinc/59/22/19/1046592219.db2.gz DYVBQRBBWBWAEA-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H](c4cccc(F)c4)C3)c2c1 ZINC001140115305 1046593781 /nfs/dbraw/zinc/59/37/81/1046593781.db2.gz UFGNOSDEAZPHEX-MRXNPFEDSA-N 1 0 319.383 4.168 20 30 DIEDRO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)[C@H]1CCc2ccccc21 ZINC001140118112 1046593868 /nfs/dbraw/zinc/59/38/68/1046593868.db2.gz DFOKHVOFOHWNTP-FQEVSTJZSA-N 1 0 301.393 4.159 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3ccc(C#N)cc23)cn1 ZINC001140115686 1046594101 /nfs/dbraw/zinc/59/41/01/1046594101.db2.gz JACPYQXBXRHOJG-FQEVSTJZSA-N 1 0 316.408 4.080 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000678260048 1046601120 /nfs/dbraw/zinc/60/11/20/1046601120.db2.gz QFALOFUPQHELGU-UHFFFAOYSA-N 1 0 311.372 4.085 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2ccncc2)cc1 ZINC001140173329 1046608049 /nfs/dbraw/zinc/60/80/49/1046608049.db2.gz VCSUUOKQUJNLTC-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO Cc1cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(C)cc1O ZINC001140201931 1046614339 /nfs/dbraw/zinc/61/43/39/1046614339.db2.gz GREOLDSLISOFTR-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1 ZINC000783636876 1046616707 /nfs/dbraw/zinc/61/67/07/1046616707.db2.gz DROBPXCNZUPXOP-OAHLLOKOSA-N 1 0 317.776 4.050 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834439166 1046616842 /nfs/dbraw/zinc/61/68/42/1046616842.db2.gz VRPYHNVIKCRFKA-UHFFFAOYSA-N 1 0 308.510 4.119 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000834435403 1046617210 /nfs/dbraw/zinc/61/72/10/1046617210.db2.gz CWJGMRMLEMHGLK-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CC[N@@H+](C)Cc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC001140229305 1046620983 /nfs/dbraw/zinc/62/09/83/1046620983.db2.gz FOLGMLMAGOUZNG-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO C=CCCC[N@@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000532980706 1046635986 /nfs/dbraw/zinc/63/59/86/1046635986.db2.gz PWTICKWFJNOWRX-UHFFFAOYSA-N 1 0 322.452 4.114 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248995532 1046655308 /nfs/dbraw/zinc/65/53/08/1046655308.db2.gz OVESALLMLMUCTI-RMHZUWNSSA-N 1 0 306.837 4.088 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248995529 1046655511 /nfs/dbraw/zinc/65/55/11/1046655511.db2.gz OVESALLMLMUCTI-PYTWLRIVSA-N 1 0 306.837 4.088 20 30 DIEDRO CC[C@H](CSc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000533104568 1046656573 /nfs/dbraw/zinc/65/65/73/1046656573.db2.gz YRCYGNGYGJJKOX-MRXNPFEDSA-N 1 0 314.429 4.358 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nccs2)c1 ZINC001140337617 1046664831 /nfs/dbraw/zinc/66/48/31/1046664831.db2.gz VPNNGNSGZUYDEJ-XGBSXSJOSA-N 1 0 309.438 4.077 20 30 DIEDRO N#CCc1ccc(C[NH+]2CCC(c3cccc(F)c3)CC2)cc1 ZINC000784161077 1046668590 /nfs/dbraw/zinc/66/85/90/1046668590.db2.gz LVIAMUAANUVQJT-UHFFFAOYSA-N 1 0 308.400 4.271 20 30 DIEDRO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000784159437 1046668727 /nfs/dbraw/zinc/66/87/27/1046668727.db2.gz PIQUZNMYVCCATO-LZJOCLMNSA-N 1 0 320.436 4.103 20 30 DIEDRO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000784159433 1046668881 /nfs/dbraw/zinc/66/88/81/1046668881.db2.gz PIQUZNMYVCCATO-CBGDNZLLSA-N 1 0 320.436 4.103 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000678596729 1046669362 /nfs/dbraw/zinc/66/93/62/1046669362.db2.gz MCXTWVAPYGBYHS-CQSZACIVSA-N 1 0 300.229 4.163 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000834814387 1046674247 /nfs/dbraw/zinc/67/42/47/1046674247.db2.gz JSFQGRWTHCWCJC-GJZGRUSLSA-N 1 0 324.380 4.019 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1ccc(OCC#N)cc1 ZINC000834814854 1046674628 /nfs/dbraw/zinc/67/46/28/1046674628.db2.gz PVJKCSRYIOARGL-JLTOFOAXSA-N 1 0 324.399 4.456 20 30 DIEDRO CN(C)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000795783861 1046677003 /nfs/dbraw/zinc/67/70/03/1046677003.db2.gz XPDPIGLYIPQNFR-NRFANRHFSA-N 1 0 319.452 4.182 20 30 DIEDRO Cc1noc(C)c1CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000795796527 1046680493 /nfs/dbraw/zinc/68/04/93/1046680493.db2.gz APEAXOJXZHMQPC-HXUWFJFHSA-N 1 0 323.440 4.153 20 30 DIEDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000795802095 1046680864 /nfs/dbraw/zinc/68/08/64/1046680864.db2.gz XTILYAKEYJYWDC-CCKFTAQKSA-N 1 0 324.424 4.021 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000784339331 1046682417 /nfs/dbraw/zinc/68/24/17/1046682417.db2.gz GXOHLTQQBXRVJG-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO N#CCC[N@H+](Cc1ccc2n[nH]cc2c1)C1CCCCCCC1 ZINC001140386820 1046684204 /nfs/dbraw/zinc/68/42/04/1046684204.db2.gz KNSFONPZDIVSQK-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000533299133 1046691378 /nfs/dbraw/zinc/69/13/78/1046691378.db2.gz CIFKNNLHTSFYII-HZPDHXFCSA-N 1 0 302.462 4.425 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678744293 1046693414 /nfs/dbraw/zinc/69/34/14/1046693414.db2.gz KKYKKKJJZUXIPY-DLBZAZTESA-N 1 0 308.425 4.113 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)cc1 ZINC000834877212 1046694779 /nfs/dbraw/zinc/69/47/79/1046694779.db2.gz IBLBTTAIYHFLLZ-JXXFODFXSA-N 1 0 321.420 4.262 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@H](C)c1cccc(OC)c1 ZINC000533324222 1046695109 /nfs/dbraw/zinc/69/51/09/1046695109.db2.gz RAGOTVMFNVRRDN-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2csc(Cl)c2)cc1 ZINC000834889903 1046702463 /nfs/dbraw/zinc/70/24/63/1046702463.db2.gz HAWIMTAWSUYSQD-GFCCVEGCSA-N 1 0 305.830 4.264 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc(C#N)c(F)c1 ZINC000834892270 1046703107 /nfs/dbraw/zinc/70/31/07/1046703107.db2.gz KWSBXDSYJOAMCR-YGRLFVJLSA-N 1 0 315.219 4.322 20 30 DIEDRO C[C@@]1(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1(Cl)Cl ZINC000834894453 1046704417 /nfs/dbraw/zinc/70/44/17/1046704417.db2.gz SJSTXPMEOJXAPP-LSDHHAIUSA-N 1 0 309.240 4.109 20 30 DIEDRO N#Cc1ccc(F)c(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000533353096 1046705289 /nfs/dbraw/zinc/70/52/89/1046705289.db2.gz MUJDXQSMTYVQRP-FQEVSTJZSA-N 1 0 306.384 4.349 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000834907602 1046715561 /nfs/dbraw/zinc/71/55/61/1046715561.db2.gz XMPKGZLBYSKYAA-UAGQMJEPSA-N 1 0 322.493 4.014 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+]C3CCCCCCC3)CC2)cc1 ZINC000796664567 1046716324 /nfs/dbraw/zinc/71/63/24/1046716324.db2.gz ZGOIEZFBEGPNGW-UHFFFAOYSA-N 1 0 311.473 4.230 20 30 DIEDRO N#Cc1ccc2c(c1)CCN(Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001140432532 1046719578 /nfs/dbraw/zinc/71/95/78/1046719578.db2.gz BDNPCDNUFYCZCN-UHFFFAOYSA-N 1 0 321.811 4.251 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cnc(C#N)c(Cl)c1 ZINC001211991641 1046722211 /nfs/dbraw/zinc/72/22/11/1046722211.db2.gz GTFOAZBNZWXJIP-UHFFFAOYSA-N 1 0 314.820 4.192 20 30 DIEDRO CC[C@H](C)CC=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000834934646 1046722674 /nfs/dbraw/zinc/72/26/74/1046722674.db2.gz IYAGQJONWPXBBM-LBPRGKRZSA-N 1 0 322.865 4.494 20 30 DIEDRO Cc1[nH]c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2c1C ZINC000533449172 1046723794 /nfs/dbraw/zinc/72/37/94/1046723794.db2.gz XFNARDIZZYFDLH-UHFFFAOYSA-N 1 0 307.372 4.085 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)C[NH+](C)C ZINC000455244410 1046725730 /nfs/dbraw/zinc/72/57/30/1046725730.db2.gz JXJKZJYVSAPWHT-UHFFFAOYSA-N 1 0 317.477 4.000 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000533443731 1046727383 /nfs/dbraw/zinc/72/73/83/1046727383.db2.gz MBZUUBVORFJEMK-LJQANCHMSA-N 1 0 306.409 4.076 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2csc3ccccc23)c(F)c1 ZINC000533446448 1046727758 /nfs/dbraw/zinc/72/77/58/1046727758.db2.gz BTEQPYNEVFDVCK-UHFFFAOYSA-N 1 0 310.397 4.244 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679025752 1046760038 /nfs/dbraw/zinc/76/00/38/1046760038.db2.gz UQJYOTNZFODPGM-TXPKVOOTSA-N 1 0 321.468 4.191 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccco1 ZINC000796941588 1046761165 /nfs/dbraw/zinc/76/11/65/1046761165.db2.gz ODJSZZTWEHCNDN-SJLPKXTDSA-N 1 0 319.832 4.438 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccco1 ZINC000796943494 1046761377 /nfs/dbraw/zinc/76/13/77/1046761377.db2.gz ZHLXEAOYEWIPGY-AEFFLSMTSA-N 1 0 319.832 4.438 20 30 DIEDRO C[C@H](C#N)CN(CCCOc1cccc2ccccc21)C1CC1 ZINC000533596461 1046762818 /nfs/dbraw/zinc/76/28/18/1046762818.db2.gz ISHMBZHWPICMPL-MRXNPFEDSA-N 1 0 308.425 4.233 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccco1 ZINC000796972790 1046764493 /nfs/dbraw/zinc/76/44/93/1046764493.db2.gz RIWDXGLLWNPSBZ-CVEARBPZSA-N 1 0 323.795 4.403 20 30 DIEDRO N#Cc1ccc(C[NH+](Cc2ccccc2)Cc2ccccc2)cn1 ZINC001140544561 1046773928 /nfs/dbraw/zinc/77/39/28/1046773928.db2.gz UEOVDSOICPVGPY-UHFFFAOYSA-N 1 0 313.404 4.156 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC001255155627 1046783317 /nfs/dbraw/zinc/78/33/17/1046783317.db2.gz RSFAGHORAZPSLS-HIFRSBDPSA-N 1 0 307.235 4.108 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000645477641 1046794126 /nfs/dbraw/zinc/79/41/26/1046794126.db2.gz AGCJIRZMKUYTAF-GJZGRUSLSA-N 1 0 305.462 4.388 20 30 DIEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001140602174 1046804386 /nfs/dbraw/zinc/80/43/86/1046804386.db2.gz FYBZSMOSIDCFJH-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001140602791 1046804549 /nfs/dbraw/zinc/80/45/49/1046804549.db2.gz PMBJVTNCPZAYLU-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001140602173 1046805504 /nfs/dbraw/zinc/80/55/04/1046805504.db2.gz FYBZSMOSIDCFJH-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1ccc(Cl)c(C[N@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001140603051 1046806504 /nfs/dbraw/zinc/80/65/04/1046806504.db2.gz XURGKRQQKRNKQO-UHFFFAOYSA-N 1 0 306.812 4.316 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(C(=O)NC(C)C)cc1 ZINC001140615855 1046812719 /nfs/dbraw/zinc/81/27/19/1046812719.db2.gz JBXONKNMWPKLCJ-UHFFFAOYSA-N 1 0 304.478 4.227 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(OC(F)F)c(O)c1 ZINC001140628742 1046819948 /nfs/dbraw/zinc/81/99/48/1046819948.db2.gz VIKFOJUXNKCXPX-UHFFFAOYSA-N 1 0 301.377 4.396 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679356335 1046823968 /nfs/dbraw/zinc/82/39/68/1046823968.db2.gz UEVRUJYSIPYMKH-VBNZEHGJSA-N 1 0 324.262 4.223 20 30 DIEDRO C#CC[N@@H+](Cc1cc(C)c(O)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001140658613 1046840726 /nfs/dbraw/zinc/84/07/26/1046840726.db2.gz JFEABWSSIRMVOR-HXUWFJFHSA-N 1 0 305.421 4.132 20 30 DIEDRO C=CC[C@@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccncc1 ZINC000796308319 1046875505 /nfs/dbraw/zinc/87/55/05/1046875505.db2.gz PSLMBNHOBAVWMI-LKIHTYOGSA-N 1 0 300.352 4.280 20 30 DIEDRO C=CC[C@@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccncc1 ZINC000796308324 1046876933 /nfs/dbraw/zinc/87/69/33/1046876933.db2.gz PSLMBNHOBAVWMI-YWPBOTNQSA-N 1 0 300.352 4.280 20 30 DIEDRO Cc1cccnc1N=NC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000797788667 1046883269 /nfs/dbraw/zinc/88/32/69/1046883269.db2.gz RCVFFYZQAMFLKD-UHFFFAOYSA-N 1 0 322.456 4.233 20 30 DIEDRO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1F ZINC001140754302 1046887718 /nfs/dbraw/zinc/88/77/18/1046887718.db2.gz UVNVWQCQNLOXSE-INIZCTEOSA-N 1 0 312.363 4.216 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Br)ccn1)C1CCCCC1 ZINC001140767301 1046891302 /nfs/dbraw/zinc/89/13/02/1046891302.db2.gz JLKUTGZVRXCTGC-UHFFFAOYSA-N 1 0 309.251 4.165 20 30 DIEDRO Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001140780905 1046896539 /nfs/dbraw/zinc/89/65/39/1046896539.db2.gz KKWIPUAVZMZKAR-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000797878269 1046900648 /nfs/dbraw/zinc/90/06/48/1046900648.db2.gz RLZVFPXZWLIKMD-ZFWWWQNUSA-N 1 0 313.413 4.072 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000797878225 1046901060 /nfs/dbraw/zinc/90/10/60/1046901060.db2.gz QANZVXXDXNYESQ-NQIIRXRSSA-N 1 0 323.436 4.130 20 30 DIEDRO C=C(C[NH2+][C@H](C)CCc1n[nH]c2ccccc21)c1ccccc1 ZINC000679899613 1046911508 /nfs/dbraw/zinc/91/15/08/1046911508.db2.gz BWFPZVCIKCTYAI-MRXNPFEDSA-N 1 0 305.425 4.187 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1ccc(Cl)cc1C#N)c1ccco1 ZINC000303536553 1046931980 /nfs/dbraw/zinc/93/19/80/1046931980.db2.gz XQZKYIQGYUQUMV-MRXNPFEDSA-N 1 0 317.820 4.300 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)c1 ZINC000237845939 1046942526 /nfs/dbraw/zinc/94/25/26/1046942526.db2.gz PSTPMFAZAGLVLV-NRFANRHFSA-N 1 0 320.436 4.132 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc(OC)cc2)cc1 ZINC000303719602 1046951517 /nfs/dbraw/zinc/95/15/17/1046951517.db2.gz VYOPJVVDSPTFNH-CQSZACIVSA-N 1 0 311.429 4.136 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000303742673 1046954097 /nfs/dbraw/zinc/95/40/97/1046954097.db2.gz IXCMLJJSSDLMQO-CRAIPNDOSA-N 1 0 308.400 4.384 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)CC(F)F)ccc1OC ZINC000647225465 1046957255 /nfs/dbraw/zinc/95/72/55/1046957255.db2.gz HLVBGLQZHZJOCZ-CYBMUJFWSA-N 1 0 313.388 4.031 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2sccc2C)cc1 ZINC000303782457 1046963649 /nfs/dbraw/zinc/96/36/49/1046963649.db2.gz NGTRPMDFYLSYDS-LBPRGKRZSA-N 1 0 301.459 4.497 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCc2ccc(C(F)(F)F)cc2)c1 ZINC000303791218 1046965343 /nfs/dbraw/zinc/96/53/43/1046965343.db2.gz XFKOTNKGQXYIIU-UHFFFAOYSA-N 1 0 321.346 4.195 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168274336 1046974844 /nfs/dbraw/zinc/97/48/44/1046974844.db2.gz CGTWTJLVLJZGIK-MNOVXSKESA-N 1 0 304.381 4.306 20 30 DIEDRO C[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1cccc(C#N)c1 ZINC000618725819 1046978704 /nfs/dbraw/zinc/97/87/04/1046978704.db2.gz NIXWXESBHXUBNI-GFCCVEGCSA-N 1 0 309.394 4.126 20 30 DIEDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000798925424 1046987580 /nfs/dbraw/zinc/98/75/80/1046987580.db2.gz AMIYDYWWWYUYFB-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)c(C)c1 ZINC000303878765 1046999349 /nfs/dbraw/zinc/99/93/49/1046999349.db2.gz GCRXGPJCEJMSLC-UHFFFAOYSA-N 1 0 311.429 4.017 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000303917360 1047002932 /nfs/dbraw/zinc/00/29/32/1047002932.db2.gz VJZDYRIOUGCBOC-DYVFJYSZSA-N 1 0 312.363 4.214 20 30 DIEDRO CCN(Cc1sc(N)c(C#N)c1Cl)Cc1ccc(C)cc1 ZINC001141113321 1047018060 /nfs/dbraw/zinc/01/80/60/1047018060.db2.gz DOJDVXUJZAZJSZ-UHFFFAOYSA-N 1 0 319.861 4.186 20 30 DIEDRO Cc1ccccc1C1(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000237486144 1047024167 /nfs/dbraw/zinc/02/41/67/1047024167.db2.gz SQMSEYXQYYSZRD-KRWDZBQOSA-N 1 0 320.436 4.107 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c(F)c1 ZINC001141196467 1047040031 /nfs/dbraw/zinc/04/00/31/1047040031.db2.gz QHKCABYBCNYZRW-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c(F)c1 ZINC001141196190 1047040721 /nfs/dbraw/zinc/04/07/21/1047040721.db2.gz LHOUHLSPIWYWMW-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2OC2CCC2)c1 ZINC000304753103 1047050340 /nfs/dbraw/zinc/05/03/40/1047050340.db2.gz KWXOJSARVFOQAT-UHFFFAOYSA-N 1 0 323.440 4.162 20 30 DIEDRO C[C@H](C#N)CN(Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000536663415 1047051942 /nfs/dbraw/zinc/05/19/42/1047051942.db2.gz JCVGKUKZADNRTE-SNVBAGLBSA-N 1 0 316.754 4.483 20 30 DIEDRO C[C@@H]1SCCN(Cc2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000536661814 1047053085 /nfs/dbraw/zinc/05/30/85/1047053085.db2.gz FUSOCWYXDIMAMD-SUMWQHHRSA-N 1 0 314.479 4.298 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)c2)s1 ZINC000799718556 1047055291 /nfs/dbraw/zinc/05/52/91/1047055291.db2.gz FQWITZCSVFHOAV-CJNGLKHVSA-N 1 0 307.422 4.069 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc(OCC#N)cc1 ZINC000799719719 1047055600 /nfs/dbraw/zinc/05/56/00/1047055600.db2.gz VSSBLBXUDZWMRU-GRTSSRMGSA-N 1 0 308.372 4.063 20 30 DIEDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2cc(C#N)cs2)o1 ZINC000536666943 1047056162 /nfs/dbraw/zinc/05/61/62/1047056162.db2.gz VAUUTPKCXCTXIA-MLGOLLRUSA-N 1 0 300.427 4.494 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc2c(cc1O)CCCC2 ZINC000799726991 1047057939 /nfs/dbraw/zinc/05/79/39/1047057939.db2.gz UNPNABHVBSMCAF-QQFBHYJXSA-N 1 0 312.457 4.252 20 30 DIEDRO CCC[N@H+](CCOC)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141287733 1047077386 /nfs/dbraw/zinc/07/73/86/1047077386.db2.gz MYNJUGTUSLSEIZ-UHFFFAOYSA-N 1 0 324.424 4.209 20 30 DIEDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141289656 1047078210 /nfs/dbraw/zinc/07/82/10/1047078210.db2.gz MDRBBHFPPDAJOF-PBHICJAKSA-N 1 0 310.372 4.283 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)cc1 ZINC001141295751 1047080113 /nfs/dbraw/zinc/08/01/13/1047080113.db2.gz JQDZCJCCIAWRHI-ZWKOTPCHSA-N 1 0 304.393 4.335 20 30 DIEDRO C=CCCCC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000649254669 1047120149 /nfs/dbraw/zinc/12/01/49/1047120149.db2.gz HVQVMKOJISJQQT-QWRGUYRKSA-N 1 0 303.290 4.405 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000827506099 1047093653 /nfs/dbraw/zinc/09/36/53/1047093653.db2.gz CTQMCUPRUZXXAA-QGZVFWFLSA-N 1 0 310.526 4.173 20 30 DIEDRO C=C(CC)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC001202806131 1047097471 /nfs/dbraw/zinc/09/74/71/1047097471.db2.gz YHTHHISFHRRZKL-UHFFFAOYSA-N 1 0 321.424 4.497 20 30 DIEDRO C[C@H](CCc1ccco1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000536869237 1047116887 /nfs/dbraw/zinc/11/68/87/1047116887.db2.gz KOYLZHSJGOCMDZ-CQSZACIVSA-N 1 0 321.342 4.261 20 30 DIEDRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000536871053 1047117053 /nfs/dbraw/zinc/11/70/53/1047117053.db2.gz PTWLCNLJBXGKBL-WWXIPJKBSA-N 1 0 300.446 4.272 20 30 DIEDRO C#CCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000760292096 1047117871 /nfs/dbraw/zinc/11/78/71/1047117871.db2.gz QJJWPJHAFQKJSN-QGZVFWFLSA-N 1 0 314.226 4.151 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(OC2CCOCC2)cc1 ZINC001141414706 1047123157 /nfs/dbraw/zinc/12/31/57/1047123157.db2.gz RSMJYRPIYDQPMB-UHFFFAOYSA-N 1 0 303.446 4.033 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]CCCC(C)(C)C#N)cc1OC ZINC000537052112 1047135336 /nfs/dbraw/zinc/13/53/36/1047135336.db2.gz SBPUSPSYPOCHLO-HNNXBMFYSA-N 1 0 318.461 4.465 20 30 DIEDRO CC[C@@H](CSC)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000537096694 1047136582 /nfs/dbraw/zinc/13/65/82/1047136582.db2.gz IKHJLPPEXOONDX-AOCRQIFASA-N 1 0 302.487 4.122 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cnc(C(F)(F)F)nc1 ZINC001141460123 1047139106 /nfs/dbraw/zinc/13/91/06/1047139106.db2.gz JYDXBPPUPONQEC-UHFFFAOYSA-N 1 0 303.372 4.288 20 30 DIEDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001116470345 1047145205 /nfs/dbraw/zinc/14/52/05/1047145205.db2.gz NFXQYYVYWJVXFW-FOIQADDNSA-N 1 0 306.409 4.002 20 30 DIEDRO C[C@@H]([NH2+]CCc1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC001116519240 1047151688 /nfs/dbraw/zinc/15/16/88/1047151688.db2.gz MYORKRREKYFBRT-LLVKDONJSA-N 1 0 320.770 4.383 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](CC)c2ccc(F)cc2)cc1 ZINC001116543519 1047155194 /nfs/dbraw/zinc/15/51/94/1047155194.db2.gz ZCORDRGFAPZHCV-FQEVSTJZSA-N 1 0 311.400 4.469 20 30 DIEDRO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC1(C#N)CC1 ZINC000537247294 1047156174 /nfs/dbraw/zinc/15/61/74/1047156174.db2.gz CCUXJLWVXGPISA-UWJYYQICSA-N 1 0 316.448 4.369 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2cccc(OCC#N)c2)cc1 ZINC001116639019 1047164685 /nfs/dbraw/zinc/16/46/85/1047164685.db2.gz FPSGHNSAVHFBFJ-NHCUHLMSSA-N 1 0 320.436 4.323 20 30 DIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCC1)c1ccc(C#N)cc1 ZINC000537288703 1047165083 /nfs/dbraw/zinc/16/50/83/1047165083.db2.gz POOYJPOMYMNVOE-HNNXBMFYSA-N 1 0 308.400 4.470 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]CCCCOc2ccccc2)C1 ZINC001116703917 1047170408 /nfs/dbraw/zinc/17/04/08/1047170408.db2.gz GYXRUSXJDSHBDV-UHFFFAOYSA-N 1 0 320.436 4.059 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1csc(Cl)c1 ZINC001116723939 1047172085 /nfs/dbraw/zinc/17/20/85/1047172085.db2.gz OLUYHAQORATUHC-NSHDSACASA-N 1 0 306.818 4.155 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000838915647 1047174076 /nfs/dbraw/zinc/17/40/76/1047174076.db2.gz NWOVOPYTIVHGSN-JKSUJKDBSA-N 1 0 313.363 4.073 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc3cccc(Cl)c3nc2Cl)C1 ZINC001141550243 1047179357 /nfs/dbraw/zinc/17/93/57/1047179357.db2.gz SAVFUPHIEZBVNP-GFCCVEGCSA-N 1 0 319.235 4.387 20 30 DIEDRO C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(C#N)c(F)c1 ZINC000537407491 1047181084 /nfs/dbraw/zinc/18/10/84/1047181084.db2.gz RIUFKZFJLWXAMM-AWEZNQCLSA-N 1 0 321.399 4.462 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000537408085 1047181835 /nfs/dbraw/zinc/18/18/35/1047181835.db2.gz VLBVZQGDMLYARE-XCRHUMRWSA-N 1 0 318.436 4.189 20 30 DIEDRO C#CCC[NH2+][C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000760297406 1047194914 /nfs/dbraw/zinc/19/49/14/1047194914.db2.gz VRFGQFNFLMKYEQ-SFHVURJKSA-N 1 0 317.404 4.389 20 30 DIEDRO C[N@@H+](Cc1cc(C#N)ccc1Br)CC1CCCCC1 ZINC001141662636 1047254264 /nfs/dbraw/zinc/25/42/64/1047254264.db2.gz VLPZQRIGWHMJOO-UHFFFAOYSA-N 1 0 321.262 4.333 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCOCC)cc1 ZINC001203112652 1047236864 /nfs/dbraw/zinc/23/68/64/1047236864.db2.gz BOUZMDHKTIRYJE-IEBWSBKVSA-N 1 0 303.446 4.284 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(C#N)ccc1Br ZINC001141654604 1047248398 /nfs/dbraw/zinc/24/83/98/1047248398.db2.gz FEUHAFGVYSEIEW-VXGBXAGGSA-N 1 0 307.235 4.084 20 30 DIEDRO CN(Cc1cnc(C(C)(C)C)s1)Cc1cc(C#N)cs1 ZINC000897626355 1047249180 /nfs/dbraw/zinc/24/91/80/1047249180.db2.gz YAXHYDONDRZSEB-UHFFFAOYSA-N 1 0 305.472 4.006 20 30 DIEDRO C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000897629897 1047249822 /nfs/dbraw/zinc/24/98/22/1047249822.db2.gz OAZYCMXEPDOWRR-DVVUODLYSA-N 1 0 323.874 4.011 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)n1 ZINC000897628896 1047250222 /nfs/dbraw/zinc/25/02/22/1047250222.db2.gz OQLJREUTMNBUNY-DZGCQCFKSA-N 1 0 317.845 4.094 20 30 DIEDRO C[C@@H]1CCCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001141659125 1047251141 /nfs/dbraw/zinc/25/11/41/1047251141.db2.gz AWBWEULNXGPELZ-GFCCVEGCSA-N 1 0 307.235 4.085 20 30 DIEDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001141660832 1047252388 /nfs/dbraw/zinc/25/23/88/1047252388.db2.gz MPJNGYSWDWNUJK-AWEZNQCLSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cccc3nsnc32)CCCC1 ZINC001203112940 1047255232 /nfs/dbraw/zinc/25/52/32/1047255232.db2.gz FSXWLPVPPOSTDQ-UHFFFAOYSA-N 1 0 301.459 4.308 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001203113763 1047288771 /nfs/dbraw/zinc/28/87/71/1047288771.db2.gz PYNUMESAQVXJJZ-GUYCJALGSA-N 1 0 314.404 4.304 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000897794762 1047290351 /nfs/dbraw/zinc/29/03/51/1047290351.db2.gz YIDSINXAHJHXJE-INIZCTEOSA-N 1 0 300.471 4.006 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1ccc(C#N)c(SC)n1 ZINC001141939454 1047312100 /nfs/dbraw/zinc/31/21/00/1047312100.db2.gz QPMDPIQCAIVXMP-UHFFFAOYSA-N 1 0 305.491 4.467 20 30 DIEDRO CCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(SC)n1 ZINC001141939819 1047312347 /nfs/dbraw/zinc/31/23/47/1047312347.db2.gz UTYJCTBKVSRZOB-UHFFFAOYSA-N 1 0 311.454 4.087 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1ccc(C#N)c(SC)n1 ZINC001141939317 1047313029 /nfs/dbraw/zinc/31/30/29/1047313029.db2.gz NWERQANRZQLEKX-UHFFFAOYSA-N 1 0 305.491 4.467 20 30 DIEDRO Cc1ccccc1[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000725806563 1047315734 /nfs/dbraw/zinc/31/57/34/1047315734.db2.gz ZFYIZXKADDSJAZ-LJQANCHMSA-N 1 0 320.436 4.125 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000898112239 1047318237 /nfs/dbraw/zinc/31/82/37/1047318237.db2.gz PUBBTAMJHFLBDZ-IOJLRTSASA-N 1 0 324.468 4.082 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccncc1 ZINC000840724233 1047320931 /nfs/dbraw/zinc/32/09/31/1047320931.db2.gz VEBRGAIHMJKSCI-GVDBMIGSSA-N 1 0 302.462 4.271 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000651685730 1047322990 /nfs/dbraw/zinc/32/29/90/1047322990.db2.gz CBIVVGSJWFKAIC-QFBILLFUSA-N 1 0 317.448 4.208 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)C1 ZINC000651740841 1047324612 /nfs/dbraw/zinc/32/46/12/1047324612.db2.gz PGYGDEPAKVMZQQ-BHIYHBOVSA-N 1 0 301.474 4.123 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)C1 ZINC000651767349 1047326906 /nfs/dbraw/zinc/32/69/06/1047326906.db2.gz QTRLALUZAUESRG-WOSRLPQWSA-N 1 0 315.392 4.271 20 30 DIEDRO N#CCC1CC[NH+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC001119446249 1047332872 /nfs/dbraw/zinc/33/28/72/1047332872.db2.gz VUEZMUCEQIORPO-UHFFFAOYSA-N 1 0 305.834 4.075 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652201910 1047346293 /nfs/dbraw/zinc/34/62/93/1047346293.db2.gz STYRHUFDYOYSTF-LJQANCHMSA-N 1 0 310.441 4.372 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652195978 1047346995 /nfs/dbraw/zinc/34/69/95/1047346995.db2.gz BREXQJVJBGSXND-AQNXPRMDSA-N 1 0 314.473 4.274 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000840870336 1047348736 /nfs/dbraw/zinc/34/87/36/1047348736.db2.gz XXKRGOLYYRAQHT-LBPRGKRZSA-N 1 0 301.356 4.110 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000840871392 1047349114 /nfs/dbraw/zinc/34/91/14/1047349114.db2.gz DXBVZWGAHZIDBM-MPTYRVRUSA-N 1 0 323.864 4.282 20 30 DIEDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000840893481 1047357101 /nfs/dbraw/zinc/35/71/01/1047357101.db2.gz JMKMLJCRNCZQGN-PPDQVPDSSA-N 1 0 313.489 4.054 20 30 DIEDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000840893482 1047357308 /nfs/dbraw/zinc/35/73/08/1047357308.db2.gz JMKMLJCRNCZQGN-VQSBYGRUSA-N 1 0 313.489 4.054 20 30 DIEDRO C#CC1CC[NH+](Cc2cc3cc(F)c(F)cc3nc2Cl)CC1 ZINC001142047775 1047357945 /nfs/dbraw/zinc/35/79/45/1047357945.db2.gz ZIXWVUALLDTSLC-UHFFFAOYSA-N 1 0 320.770 4.012 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)CC(F)(F)F ZINC000840960431 1047366466 /nfs/dbraw/zinc/36/64/66/1047366466.db2.gz LWVOKYCRUZIQMX-STQMWFEESA-N 1 0 314.351 4.046 20 30 DIEDRO C=CC[N@H+](CCc1noc2ccccc21)CCc1ccccc1 ZINC000653510382 1047395001 /nfs/dbraw/zinc/39/50/01/1047395001.db2.gz ZSZLWQLTWWGYDK-UHFFFAOYSA-N 1 0 306.409 4.101 20 30 DIEDRO CCCCCCCNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000749270069 1047404374 /nfs/dbraw/zinc/40/43/74/1047404374.db2.gz GIZHUAHGCJWIEF-UHFFFAOYSA-N 1 0 318.505 4.273 20 30 DIEDRO CC(C)COc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742013 1047406278 /nfs/dbraw/zinc/40/62/78/1047406278.db2.gz JKLHJROXIKNVSD-OAQYLSRUSA-N 1 0 320.436 4.370 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000116926664 1047415367 /nfs/dbraw/zinc/41/53/67/1047415367.db2.gz WJJPKAMPCUCQLZ-AWEZNQCLSA-N 1 0 317.454 4.390 20 30 DIEDRO CCCN(CCC#N)Cc1c[nH]c2cc(Br)ccc12 ZINC001142398596 1047441523 /nfs/dbraw/zinc/44/15/23/1047441523.db2.gz UJKJIOORWFSUIF-UHFFFAOYSA-N 1 0 320.234 4.056 20 30 DIEDRO C[C@@H](CC[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000749919238 1047447625 /nfs/dbraw/zinc/44/76/25/1047447625.db2.gz PEIVEBDMMVSNRX-SFHVURJKSA-N 1 0 321.468 4.320 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1O ZINC000841750761 1047450036 /nfs/dbraw/zinc/45/00/36/1047450036.db2.gz AUFVJYXYCMXHQA-PIGZYNQJSA-N 1 0 312.800 4.255 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCCc3ccccc32)cc1 ZINC000237490018 1047451267 /nfs/dbraw/zinc/45/12/67/1047451267.db2.gz ZQUYDBRHEXDRMB-LPHOPBHVSA-N 1 0 320.436 4.187 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1nc2ccccc2cc1C#N ZINC000750016394 1047453265 /nfs/dbraw/zinc/45/32/65/1047453265.db2.gz VHKATVUZKCMIPH-MRXNPFEDSA-N 1 0 322.456 4.173 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1nc2ccccc2cc1C#N ZINC000750016393 1047453530 /nfs/dbraw/zinc/45/35/30/1047453530.db2.gz VHKATVUZKCMIPH-INIZCTEOSA-N 1 0 322.456 4.173 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC=C(c3ccc(O)cc3)CC2)CCC1 ZINC000929176190 1047454350 /nfs/dbraw/zinc/45/43/50/1047454350.db2.gz YKJRSJYAATXBOW-UHFFFAOYSA-N 1 0 310.441 4.345 20 30 DIEDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000841759945 1047455167 /nfs/dbraw/zinc/45/51/67/1047455167.db2.gz CGTZPNAWSGMPTP-YJYMSZOUSA-N 1 0 322.408 4.001 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)C1CC1 ZINC000120015602 1047481120 /nfs/dbraw/zinc/48/11/20/1047481120.db2.gz LXHUZXADFBOIGW-CQSZACIVSA-N 1 0 311.372 4.131 20 30 DIEDRO C[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537628698 1047494196 /nfs/dbraw/zinc/49/41/96/1047494196.db2.gz YMHULEAWSZLVRX-MRXNPFEDSA-N 1 0 306.409 4.122 20 30 DIEDRO Cc1ccc(C2([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CCC2)cc1 ZINC000842774208 1047503289 /nfs/dbraw/zinc/50/32/89/1047503289.db2.gz QNLIGGOUHOLHBJ-QGZVFWFLSA-N 1 0 320.436 4.455 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2ccccn2)c1 ZINC001142844082 1047503558 /nfs/dbraw/zinc/50/35/58/1047503558.db2.gz HJJFGQXKBHDYKY-LUPIEILUSA-N 1 0 303.409 4.015 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1C ZINC000842885715 1047510946 /nfs/dbraw/zinc/51/09/46/1047510946.db2.gz QUCGGRQXQUOCPU-MRXNPFEDSA-N 1 0 308.425 4.229 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc2c(cc1O)CCCC2 ZINC000842884656 1047511173 /nfs/dbraw/zinc/51/11/73/1047511173.db2.gz LRSRDHHWEWRBFZ-HNNXBMFYSA-N 1 0 320.436 4.188 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000121125053 1047511990 /nfs/dbraw/zinc/51/19/90/1047511990.db2.gz DUXFBMXGMVZWIC-HNNXBMFYSA-N 1 0 302.462 4.036 20 30 DIEDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142912255 1047513764 /nfs/dbraw/zinc/51/37/64/1047513764.db2.gz ZMNDAIOENOYOIO-AWEZNQCLSA-N 1 0 301.393 4.159 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CCC[C@H]3c3cccs3)c[nH]c2c1 ZINC001142920817 1047514340 /nfs/dbraw/zinc/51/43/40/1047514340.db2.gz CXFQLVCKGDVRCN-KRWDZBQOSA-N 1 0 307.422 4.438 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccccc3)c[nH]c2c1 ZINC001142921485 1047514466 /nfs/dbraw/zinc/51/44/66/1047514466.db2.gz OTEAVGVEDWPWPF-FQEVSTJZSA-N 1 0 301.393 4.377 20 30 DIEDRO N#Cc1ccc2c(C[N@H+]3CC[C@H](c4cccc(F)c4)C3)c[nH]c2c1 ZINC001142922666 1047514821 /nfs/dbraw/zinc/51/48/21/1047514821.db2.gz PWUVBRFUMBUIKK-INIZCTEOSA-N 1 0 319.383 4.168 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccc(C)cc1 ZINC001142925801 1047516110 /nfs/dbraw/zinc/51/61/10/1047516110.db2.gz DTJHLUQROHQKPQ-UHFFFAOYSA-N 1 0 303.409 4.370 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000121376034 1047516845 /nfs/dbraw/zinc/51/68/45/1047516845.db2.gz ILROFOISDCEHCZ-CXAGYDPISA-N 1 0 319.495 4.084 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)C1CC1 ZINC000121459838 1047519793 /nfs/dbraw/zinc/51/97/93/1047519793.db2.gz BKLCQDIGCKWBRV-LLVKDONJSA-N 1 0 304.381 4.039 20 30 DIEDRO C#CC[N@@H+](Cc1cc(C)cc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001143156986 1047535729 /nfs/dbraw/zinc/53/57/29/1047535729.db2.gz UPYRAJWYHUWVAB-OAQYLSRUSA-N 1 0 305.421 4.126 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnc(CCOC)s1)c1ccccc1 ZINC000631097917 1047537492 /nfs/dbraw/zinc/53/74/92/1047537492.db2.gz HLEWEOLRFLZDFW-QGZVFWFLSA-N 1 0 316.470 4.129 20 30 DIEDRO CCCCCCCCCCC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001149672153 1047566654 /nfs/dbraw/zinc/56/66/54/1047566654.db2.gz RAZXEDWGAVPLHY-BGYRXZFFSA-N 1 0 322.537 4.317 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000477336678 1047614448 /nfs/dbraw/zinc/61/44/48/1047614448.db2.gz IMYLJYCXQGPXRI-RTWAWAEBSA-N 1 0 304.437 4.449 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192755110 1047619831 /nfs/dbraw/zinc/61/98/31/1047619831.db2.gz CECVCJATOXUSOA-UGSOOPFHSA-N 1 0 309.369 4.268 20 30 DIEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000537984202 1047650883 /nfs/dbraw/zinc/65/08/83/1047650883.db2.gz LRCRMSQTPDUMQI-VQTJNVASSA-N 1 0 324.399 4.002 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000538101264 1047657589 /nfs/dbraw/zinc/65/75/89/1047657589.db2.gz UFDUFNRUJCJLAC-GOSISDBHSA-N 1 0 306.881 4.277 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000538126613 1047660247 /nfs/dbraw/zinc/66/02/47/1047660247.db2.gz ZVIZIDHOYDOERY-MRXNPFEDSA-N 1 0 324.424 4.075 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000538258462 1047665136 /nfs/dbraw/zinc/66/51/36/1047665136.db2.gz YXDIPWGPMVPSRI-PXNSSMCTSA-N 1 0 313.416 4.026 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000538391092 1047672939 /nfs/dbraw/zinc/67/29/39/1047672939.db2.gz JAHCMADJKMKJIG-FQEVSTJZSA-N 1 0 306.409 4.068 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000538508655 1047683996 /nfs/dbraw/zinc/68/39/96/1047683996.db2.gz WTZPOEAGANAMLN-CQSZACIVSA-N 1 0 312.388 4.337 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000538513451 1047685007 /nfs/dbraw/zinc/68/50/07/1047685007.db2.gz KCVHNGWMPHIJMJ-ZDUSSCGKSA-N 1 0 304.409 4.205 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)CCC2CCOCC2)cc1Cl ZINC000538719837 1047700575 /nfs/dbraw/zinc/70/05/75/1047700575.db2.gz MCRSEYLKTCZDEX-UHFFFAOYSA-N 1 0 323.864 4.153 20 30 DIEDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(C#N)s2)o1 ZINC000538721770 1047701225 /nfs/dbraw/zinc/70/12/25/1047701225.db2.gz CRNVOMPAYCAVQM-LRDDRELGSA-N 1 0 300.427 4.494 20 30 DIEDRO C=CCCC[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000538737206 1047704636 /nfs/dbraw/zinc/70/46/36/1047704636.db2.gz MFDPHNBWCHPAQI-UHFFFAOYSA-N 1 0 322.246 4.123 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cncnc1)c1ccc(C(F)(F)F)cc1 ZINC000345017291 1047718172 /nfs/dbraw/zinc/71/81/72/1047718172.db2.gz KQEPQXUUEYFBEK-MRXNPFEDSA-N 1 0 321.346 4.293 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC001156837434 1047723336 /nfs/dbraw/zinc/72/33/36/1047723336.db2.gz UKPXUTHRFUDJHH-IAGOWNOFSA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC001156837433 1047723368 /nfs/dbraw/zinc/72/33/68/1047723368.db2.gz UKPXUTHRFUDJHH-DLBZAZTESA-N 1 0 310.526 4.220 20 30 DIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C(C)(C)C ZINC000539081763 1047734765 /nfs/dbraw/zinc/73/47/65/1047734765.db2.gz UDUDZXROFMUJDD-OOHWJJMZSA-N 1 0 300.446 4.272 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1cccc(C#N)c1 ZINC000927035901 1047767520 /nfs/dbraw/zinc/76/75/20/1047767520.db2.gz JJRXEHVLDMMDBO-IAGOWNOFSA-N 1 0 300.471 4.417 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1cccc(C#N)c1 ZINC000927035903 1047767846 /nfs/dbraw/zinc/76/78/46/1047767846.db2.gz JJRXEHVLDMMDBO-IRXDYDNUSA-N 1 0 300.471 4.417 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc(OCC#N)cc1 ZINC000927038475 1047768715 /nfs/dbraw/zinc/76/87/15/1047768715.db2.gz PRBISKGCFOJKOT-GOEBONIOSA-N 1 0 316.470 4.058 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000927041523 1047771355 /nfs/dbraw/zinc/77/13/55/1047771355.db2.gz ZKUQDCVIKABWMC-IAGOWNOFSA-N 1 0 300.471 4.417 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000552756380 1047791779 /nfs/dbraw/zinc/79/17/79/1047791779.db2.gz HJOYVYZWYYAWHL-JKSUJKDBSA-N 1 0 323.502 4.266 20 30 DIEDRO C#C[C@](C)(CC)Nc1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001158738924 1047796216 /nfs/dbraw/zinc/79/62/16/1047796216.db2.gz YBVNSHWEUDCZEJ-HXUWFJFHSA-N 1 0 303.409 4.298 20 30 DIEDRO C#C[C@@](C)(CC)Nc1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001158738923 1047796258 /nfs/dbraw/zinc/79/62/58/1047796258.db2.gz YBVNSHWEUDCZEJ-FQEVSTJZSA-N 1 0 303.409 4.298 20 30 DIEDRO CC(C)(C#N)c1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)cn1 ZINC001159197783 1047819339 /nfs/dbraw/zinc/81/93/39/1047819339.db2.gz IGWQKIGWKZVINV-UHFFFAOYSA-N 1 0 320.440 4.093 20 30 DIEDRO C[C@H]1C[C@@H](c2ccncc2Nc2cccc(C#N)c2F)C[C@@H]([NH3+])C1 ZINC001159384701 1047837754 /nfs/dbraw/zinc/83/77/54/1047837754.db2.gz AKTHUOHEBDUJSL-CFVMTHIKSA-N 1 0 324.403 4.067 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2cc(C#N)c3ccccc3n2)CC1(C)C ZINC001159395134 1047839667 /nfs/dbraw/zinc/83/96/67/1047839667.db2.gz FESQQMOTTJEHHL-UHFFFAOYSA-N 1 0 322.456 4.170 20 30 DIEDRO CC#CCCCCCCCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001182770604 1047843025 /nfs/dbraw/zinc/84/30/25/1047843025.db2.gz QKNJTDRUMXABPF-IBGZPJMESA-N 1 0 320.521 4.121 20 30 DIEDRO CC#CCCCCCCCC(=O)NC[C@H](C)CC(C)(C)CC[NH3+] ZINC001182772463 1047843721 /nfs/dbraw/zinc/84/37/21/1047843721.db2.gz XLBFMSJLZCIYTD-GOSISDBHSA-N 1 0 322.537 4.258 20 30 DIEDRO CC#CCCCCCCCC(=O)NC[C@@H](C)CC(C)(C)CC[NH3+] ZINC001182772465 1047843764 /nfs/dbraw/zinc/84/37/64/1047843764.db2.gz XLBFMSJLZCIYTD-SFHVURJKSA-N 1 0 322.537 4.258 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C)nc2scc(C)n12 ZINC001182844214 1047848574 /nfs/dbraw/zinc/84/85/74/1047848574.db2.gz LSDYNDJPPAQHBI-CABCVRRESA-N 1 0 303.475 4.237 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001182890614 1047856939 /nfs/dbraw/zinc/85/69/39/1047856939.db2.gz FVFVEOHWDNKYGY-HOTGVXAUSA-N 1 0 322.493 4.253 20 30 DIEDRO Cc1cc(O)c(C(C)C)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159511112 1047858260 /nfs/dbraw/zinc/85/82/60/1047858260.db2.gz YCUSSDRQPHLHTI-UHFFFAOYSA-N 1 0 321.424 4.126 20 30 DIEDRO Cc1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)ccc1C(C)C ZINC001159540090 1047864077 /nfs/dbraw/zinc/86/40/77/1047864077.db2.gz PMDSZYWHLWJKCF-UHFFFAOYSA-N 1 0 305.425 4.421 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001182942639 1047864037 /nfs/dbraw/zinc/86/40/37/1047864037.db2.gz XAKQJRIATMHDMA-IXDOHACOSA-N 1 0 324.509 4.499 20 30 DIEDRO CCc1c(C)nc2sc(C#N)c(Nc3cc[nH+]cc3C)c2c1C ZINC001174537829 1047866207 /nfs/dbraw/zinc/86/62/07/1047866207.db2.gz UDAWSXHADQWTKW-UHFFFAOYSA-N 1 0 322.437 4.216 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001197683173 1047869020 /nfs/dbraw/zinc/86/90/20/1047869020.db2.gz UDPFOVULPZTCAS-MRXNPFEDSA-N 1 0 318.420 4.437 20 30 DIEDRO N#Cc1ccc(C=CNc2ccc(C3CC[NH2+]CC3)cc2)cc1 ZINC001159598496 1047877593 /nfs/dbraw/zinc/87/75/93/1047877593.db2.gz PJXFBCIWOOLJQY-NTEUORMPSA-N 1 0 303.409 4.108 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001183036043 1047879798 /nfs/dbraw/zinc/87/97/98/1047879798.db2.gz MTVZCGNIQMCERJ-UHFFFAOYSA-N 1 0 303.446 4.476 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC001183065977 1047886394 /nfs/dbraw/zinc/88/63/94/1047886394.db2.gz UGRTYKDCVVQGFL-GFCCVEGCSA-N 1 0 318.214 4.041 20 30 DIEDRO C#CC[C@@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001183065888 1047887139 /nfs/dbraw/zinc/88/71/39/1047887139.db2.gz QYQVRONWLINLPB-JOCHJYFZSA-N 1 0 317.476 4.433 20 30 DIEDRO N#Cc1ccc(Cl)cc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159700975 1047902696 /nfs/dbraw/zinc/90/26/96/1047902696.db2.gz YHJPDKVVUJEHDS-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO C=CCCC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000553650234 1047904523 /nfs/dbraw/zinc/90/45/23/1047904523.db2.gz QBWJRYDWWOUPGW-QGZVFWFLSA-N 1 0 314.473 4.147 20 30 DIEDRO C#CC[N@H+](Cc1ccc(Cl)c(Br)c1)C(C)(C)C ZINC001197937031 1047905480 /nfs/dbraw/zinc/90/54/80/1047905480.db2.gz GHXCRTHAXXUHNM-UHFFFAOYSA-N 1 0 314.654 4.336 20 30 DIEDRO C=CCCCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000479511671 1047916789 /nfs/dbraw/zinc/91/67/89/1047916789.db2.gz JHXNEGLLLNFWTM-MRXNPFEDSA-N 1 0 300.446 4.356 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3cc(F)cc(C#N)c3)CC2)C1 ZINC001183323982 1047917990 /nfs/dbraw/zinc/91/79/90/1047917990.db2.gz IXZMHNKCPONGOY-KUHUBIRLSA-N 1 0 315.436 4.152 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[N@H+](CCc1ccccc1)C1CC1 ZINC001198059958 1047919461 /nfs/dbraw/zinc/91/94/61/1047919461.db2.gz JXUNDKNZSREFKN-UHFFFAOYSA-N 1 0 310.828 4.419 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC001198059168 1047920080 /nfs/dbraw/zinc/92/00/80/1047920080.db2.gz GJIXZRZADYLRHS-HNNXBMFYSA-N 1 0 301.352 4.075 20 30 DIEDRO C#CCN(Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)C(C)C ZINC001198027386 1047920118 /nfs/dbraw/zinc/92/01/18/1047920118.db2.gz ORHPNEPQZSZYEO-UHFFFAOYSA-N 1 0 304.503 4.237 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(F)ccc2OC(F)F)CCCCC1 ZINC001198084670 1047923168 /nfs/dbraw/zinc/92/31/68/1047923168.db2.gz JLVRXJDZDJZZRT-UHFFFAOYSA-N 1 0 311.347 4.243 20 30 DIEDRO C=CCCCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000479545610 1047924131 /nfs/dbraw/zinc/92/41/31/1047924131.db2.gz PGAMJZQDQNHNIW-MRXNPFEDSA-N 1 0 300.446 4.213 20 30 DIEDRO CCCCCCCC[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000775822933 1047928460 /nfs/dbraw/zinc/92/84/60/1047928460.db2.gz ATSTUSMDLRSAFO-UHFFFAOYSA-N 1 0 318.509 4.154 20 30 DIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1F ZINC000774627525 1047929570 /nfs/dbraw/zinc/92/95/70/1047929570.db2.gz RDTVMNONPVELPK-UHFFFAOYSA-N 1 0 324.399 4.348 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CCCCC(F)(F)F)CC2)cc1 ZINC001198211660 1047933553 /nfs/dbraw/zinc/93/35/53/1047933553.db2.gz ZPWSYQFAXOLAAF-UHFFFAOYSA-N 1 0 310.363 4.470 20 30 DIEDRO CC1(C)CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1c1ccccc1 ZINC001198201961 1047934390 /nfs/dbraw/zinc/93/43/90/1047934390.db2.gz HNGIFCDVFWFROO-MRXNPFEDSA-N 1 0 311.454 4.030 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC001198210706 1047934555 /nfs/dbraw/zinc/93/45/55/1047934555.db2.gz KQZMETGUUSBEBC-QGZVFWFLSA-N 1 0 307.482 4.383 20 30 DIEDRO Cc1cc(C#N)c(F)cc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159854264 1047935950 /nfs/dbraw/zinc/93/59/50/1047935950.db2.gz PNLKREFLTDXGQI-UHFFFAOYSA-N 1 0 309.388 4.216 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1C ZINC001198261146 1047938085 /nfs/dbraw/zinc/93/80/85/1047938085.db2.gz WSLKTEJKQAIWKO-OAHLLOKOSA-N 1 0 313.828 4.359 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1C ZINC001198261166 1047938140 /nfs/dbraw/zinc/93/81/40/1047938140.db2.gz XTHDQLODRQNGFJ-OAHLLOKOSA-N 1 0 313.828 4.359 20 30 DIEDRO C=C(C)CC[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001198241589 1047939202 /nfs/dbraw/zinc/93/92/02/1047939202.db2.gz OPFMFMVSFIFSOG-UHFFFAOYSA-N 1 0 324.509 4.216 20 30 DIEDRO Cc1cc(Nc2cc(C(F)(F)F)c(C#N)cc2Cl)cc[nH+]1 ZINC001174661355 1047939457 /nfs/dbraw/zinc/93/94/57/1047939457.db2.gz WNIFBGIDHHEMJF-UHFFFAOYSA-N 1 0 311.694 4.099 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001183510026 1047941069 /nfs/dbraw/zinc/94/10/69/1047941069.db2.gz BTVBHDJQCHRPIQ-MBOZVWFJSA-N 1 0 303.490 4.294 20 30 DIEDRO C=C(Cl)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001198269718 1047943690 /nfs/dbraw/zinc/94/36/90/1047943690.db2.gz DQRRYGVYCHOEQG-AWEZNQCLSA-N 1 0 314.654 4.209 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC001183606493 1047944592 /nfs/dbraw/zinc/94/45/92/1047944592.db2.gz KGBJWLDKHQTPQU-ZWKOTPCHSA-N 1 0 300.446 4.213 20 30 DIEDRO N#Cc1ccc(Oc2ccc(NC3=CCC[NH2+]CC3)cc2)cc1 ZINC001159920831 1047951322 /nfs/dbraw/zinc/95/13/22/1047951322.db2.gz RZZXKMNMMARDSE-UHFFFAOYSA-N 1 0 305.381 4.030 20 30 DIEDRO CC(C)Cc1ccccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159933179 1047954470 /nfs/dbraw/zinc/95/44/70/1047954470.db2.gz OZYRSUKSJZCNRJ-UHFFFAOYSA-N 1 0 305.425 4.187 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000924726466 1047962869 /nfs/dbraw/zinc/96/28/69/1047962869.db2.gz NDVFHDALVLZIGW-GFCCVEGCSA-N 1 0 314.351 4.046 20 30 DIEDRO C=CC[C@@H]1CCN1Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC001198490416 1047964531 /nfs/dbraw/zinc/96/45/31/1047964531.db2.gz JVNJRYOMFZIRDG-MRXNPFEDSA-N 1 0 315.848 4.044 20 30 DIEDRO CSC1CCC(C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC001183799541 1047966146 /nfs/dbraw/zinc/96/61/46/1047966146.db2.gz KOPSCDGLAIQQOU-UHFFFAOYSA-N 1 0 314.498 4.122 20 30 DIEDRO Cc1ccc(C#N)cc1Nc1ccc(CC2CC[NH2+]CC2)cc1 ZINC001160015064 1047970112 /nfs/dbraw/zinc/97/01/12/1047970112.db2.gz SZUAYYVQJZFTCC-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO C=C[NH+]=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1 ZINC001174788000 1047971533 /nfs/dbraw/zinc/97/15/33/1047971533.db2.gz UNSYQUZBCQOECB-UHFFFAOYSA-N 1 0 313.404 4.363 20 30 DIEDRO CCc1cc(Nc2ccccc2C2=CC[NH2+]CC2)ccc1C#N ZINC001160026908 1047973002 /nfs/dbraw/zinc/97/30/02/1047973002.db2.gz XMABZRCGCJWBLS-UHFFFAOYSA-N 1 0 303.409 4.241 20 30 DIEDRO CC(C)([NH3+])c1ccc(Nc2ccc(Cl)c(F)c2C#N)cc1 ZINC001160033155 1047976770 /nfs/dbraw/zinc/97/67/70/1047976770.db2.gz CLTQVZCUCVTPNN-UHFFFAOYSA-N 1 0 303.768 4.288 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1[nH+]ccc2c1ccn2C ZINC001160180448 1047988780 /nfs/dbraw/zinc/98/87/80/1047988780.db2.gz ATMMJIKZMFINDF-AWEZNQCLSA-N 1 0 307.397 4.311 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)n1 ZINC001184023869 1047989842 /nfs/dbraw/zinc/98/98/42/1047989842.db2.gz SCWQTMMZMMXVPB-ZWKOTPCHSA-N 1 0 305.425 4.159 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000554075099 1048003060 /nfs/dbraw/zinc/00/30/60/1048003060.db2.gz QELUQEQNJKYEDQ-INIZCTEOSA-N 1 0 315.417 4.237 20 30 DIEDRO Cc1cc(Nc2ccc(OC3CC[NH2+]CC3)c(C)c2)ccc1C#N ZINC001160228117 1048004792 /nfs/dbraw/zinc/00/47/92/1048004792.db2.gz YRYWAFPBWSJLET-UHFFFAOYSA-N 1 0 321.424 4.050 20 30 DIEDRO Cc1ccc(C#N)cc1Nc1ccc(OC2CC[NH2+]CC2)c(C)c1 ZINC001160226745 1048004918 /nfs/dbraw/zinc/00/49/18/1048004918.db2.gz BRJZTLAYZIKUAV-UHFFFAOYSA-N 1 0 321.424 4.050 20 30 DIEDRO CCCCCCCC[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001198767484 1048005758 /nfs/dbraw/zinc/00/57/58/1048005758.db2.gz CRDJZTNCUFEWDJ-FVQHAEBGSA-N 1 0 324.509 4.144 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccc(C#N)cc1 ZINC000927124929 1048005756 /nfs/dbraw/zinc/00/57/56/1048005756.db2.gz ONHSCOBPUQGDOT-GOSISDBHSA-N 1 0 324.424 4.125 20 30 DIEDRO N#Cc1c(F)c(F)cc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1F ZINC001160256218 1048012642 /nfs/dbraw/zinc/01/26/42/1048012642.db2.gz URJXWWQCRYNEHZ-CQSZACIVSA-N 1 0 317.314 4.144 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCCn2ccc3ccccc32)c1 ZINC001198917514 1048015579 /nfs/dbraw/zinc/01/55/79/1048015579.db2.gz BTSMXBXVIBFZEP-UHFFFAOYSA-N 1 0 320.436 4.386 20 30 DIEDRO CC1(C)C[NH2+]Cc2cc(Nc3ccc(C4(C#N)CC4)cc3)ccc21 ZINC001160284577 1048022422 /nfs/dbraw/zinc/02/24/22/1048022422.db2.gz DSWRRTVLVXFIHG-UHFFFAOYSA-N 1 0 317.436 4.366 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001199052108 1048029490 /nfs/dbraw/zinc/02/94/90/1048029490.db2.gz CESMJODYGFPVDS-YQVWRLOYSA-N 1 0 311.473 4.073 20 30 DIEDRO CC(C)(C[NH2+]CCSCc1ccccc1C#N)c1ccccc1 ZINC001199028270 1048031405 /nfs/dbraw/zinc/03/14/05/1048031405.db2.gz RMINAWCEBYVYCJ-UHFFFAOYSA-N 1 0 324.493 4.359 20 30 DIEDRO CC(C)[C@H](COCc1ccccc1)[NH2+]CC(C)(C)CCC#N ZINC000554366150 1048079796 /nfs/dbraw/zinc/07/97/96/1048079796.db2.gz HCMGWFAPGFBCTK-SFHVURJKSA-N 1 0 302.462 4.147 20 30 DIEDRO COC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC(c2ccccc2)CC1 ZINC000554374199 1048083959 /nfs/dbraw/zinc/08/39/59/1048083959.db2.gz QGMBYIRBBLQLOT-OXHPOLQJSA-N 1 0 312.457 4.011 20 30 DIEDRO COC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC(c2ccccc2)CC1 ZINC000554374197 1048084254 /nfs/dbraw/zinc/08/42/54/1048084254.db2.gz QGMBYIRBBLQLOT-IHJVYAAUSA-N 1 0 312.457 4.011 20 30 DIEDRO CN(C)c1ccc(C2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000776013930 1048085736 /nfs/dbraw/zinc/08/57/36/1048085736.db2.gz LETSECUVYPLMMS-UHFFFAOYSA-N 1 0 313.489 4.262 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1ncc(Cl)c(C)c1C#N)CC(C)C ZINC001184739942 1048088719 /nfs/dbraw/zinc/08/87/19/1048088719.db2.gz JCYDGOFYXBNAFW-CQSZACIVSA-N 1 0 322.884 4.084 20 30 DIEDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000774792418 1048098620 /nfs/dbraw/zinc/09/86/20/1048098620.db2.gz OTYNHEWWCLWZJG-CQSZACIVSA-N 1 0 314.816 4.402 20 30 DIEDRO CC(C)(C[NH2+]C[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000554552115 1048125574 /nfs/dbraw/zinc/12/55/74/1048125574.db2.gz ASBIXHBGNKIDBX-ZDUSSCGKSA-N 1 0 323.362 4.016 20 30 DIEDRO C=CCCC[NH2+]C(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000480329493 1048125594 /nfs/dbraw/zinc/12/55/94/1048125594.db2.gz DAXYMVHKFYKNNP-UHFFFAOYSA-N 1 0 311.425 4.349 20 30 DIEDRO N#Cc1ccc(F)cc1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001185262212 1048154184 /nfs/dbraw/zinc/15/41/84/1048154184.db2.gz AKDVBCOISVXSFB-GOSISDBHSA-N 1 0 315.436 4.154 20 30 DIEDRO CN(Cc1cccs1)Cc1ccc(C#N)cc1Br ZINC000480648455 1048206334 /nfs/dbraw/zinc/20/63/34/1048206334.db2.gz DRQQEPSGTZMNCM-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccc(C#N)cc1 ZINC000480655519 1048209552 /nfs/dbraw/zinc/20/95/52/1048209552.db2.gz XAVZNKRYBWFEBG-OAHLLOKOSA-N 1 0 306.409 4.198 20 30 DIEDRO [NH3+]CCN(c1ccccc1CS)c1cccc2ccccc21 ZINC001162007282 1048213545 /nfs/dbraw/zinc/21/35/45/1048213545.db2.gz KXUKIUBSUKMICU-UHFFFAOYSA-N 1 0 308.450 4.366 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNc1nc2cccc(F)c2o1)C(C)C ZINC001162095207 1048225689 /nfs/dbraw/zinc/22/56/89/1048225689.db2.gz LWJYSYIVCGLJOX-MRXNPFEDSA-N 1 0 317.408 4.077 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c(Br)c1 ZINC000480718510 1048228045 /nfs/dbraw/zinc/22/80/45/1048228045.db2.gz PXPVHBLIYVCRIA-MRXNPFEDSA-N 1 0 319.246 4.085 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2nc(CC)co2)cc1 ZINC001162144100 1048232010 /nfs/dbraw/zinc/23/20/10/1048232010.db2.gz ZBFHTGOBNUJSHI-GOSISDBHSA-N 1 0 311.429 4.172 20 30 DIEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000776155616 1048238686 /nfs/dbraw/zinc/23/86/86/1048238686.db2.gz GCAMYCACMDLCLV-CGTJXYLNSA-N 1 0 300.446 4.454 20 30 DIEDRO C=C(C)COCC[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001201373331 1048241766 /nfs/dbraw/zinc/24/17/66/1048241766.db2.gz VYTAKFUNPSLDRA-QGZVFWFLSA-N 1 0 303.490 4.345 20 30 DIEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccn1 ZINC000776158287 1048244872 /nfs/dbraw/zinc/24/48/72/1048244872.db2.gz VWPASGOGYZTGEQ-KXBFYZLASA-N 1 0 309.413 4.176 20 30 DIEDRO Cc1ccc(C#N)c(Nc2ccc(CC[NH+]3CCCCC3)cc2)n1 ZINC001162226401 1048245796 /nfs/dbraw/zinc/24/57/96/1048245796.db2.gz LDQQNDVADYJLPF-UHFFFAOYSA-N 1 0 320.440 4.034 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@@H](OCC)C12CCCC2)c1ccncc1 ZINC000776159585 1048246762 /nfs/dbraw/zinc/24/67/62/1048246762.db2.gz XWWXDSXKHCVAOP-RCCFBDPRSA-N 1 0 300.446 4.026 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000554981380 1048247112 /nfs/dbraw/zinc/24/71/12/1048247112.db2.gz CBVVTZYVUCXJKZ-SGTLLEGYSA-N 1 0 310.372 4.044 20 30 DIEDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000776162273 1048247628 /nfs/dbraw/zinc/24/76/28/1048247628.db2.gz DZNNFZBONYVLSZ-YLJYHZDGSA-N 1 0 319.452 4.186 20 30 DIEDRO Cc1cccc(OCCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776164826 1048252649 /nfs/dbraw/zinc/25/26/49/1048252649.db2.gz UYXOSQFTYDYFTO-QGZVFWFLSA-N 1 0 324.424 4.017 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000776164513 1048253011 /nfs/dbraw/zinc/25/30/11/1048253011.db2.gz IXHUJFLLAPKLEE-IRXDYDNUSA-N 1 0 320.436 4.045 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccc(F)c1 ZINC000776161476 1048257559 /nfs/dbraw/zinc/25/75/59/1048257559.db2.gz XKTLEDMKTIDIPL-GJZGRUSLSA-N 1 0 312.388 4.182 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccc(OCC#N)cc1 ZINC000776161477 1048258183 /nfs/dbraw/zinc/25/81/83/1048258183.db2.gz XKTLEDMKTIDIPL-HUUCEWRRSA-N 1 0 312.388 4.182 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1cccc(F)c1 ZINC000776161478 1048258287 /nfs/dbraw/zinc/25/82/87/1048258287.db2.gz XKTLEDMKTIDIPL-LSDHHAIUSA-N 1 0 312.388 4.182 20 30 DIEDRO CC[NH+](CC)CCCC1CCN(c2cc(F)ccc2C#N)CC1 ZINC001186079817 1048258608 /nfs/dbraw/zinc/25/86/08/1048258608.db2.gz PVMYTAHCINROOH-UHFFFAOYSA-N 1 0 317.452 4.036 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1cc(C)ccc1C ZINC001175361583 1048276674 /nfs/dbraw/zinc/27/66/74/1048276674.db2.gz IJTPBRULNLHMLE-HXUWFJFHSA-N 1 0 308.425 4.295 20 30 DIEDRO C=CCC1([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)CCCCC1 ZINC001175372132 1048282965 /nfs/dbraw/zinc/28/29/65/1048282965.db2.gz RKHHTONIKNQUEZ-KGLIPLIRSA-N 1 0 305.384 4.355 20 30 DIEDRO N#Cc1ccc(Nc2cc[nH+]cc2Oc2ccccc2)c(F)c1 ZINC001201556019 1048307022 /nfs/dbraw/zinc/30/70/22/1048307022.db2.gz SJOSMDYOTHWADS-UHFFFAOYSA-N 1 0 305.312 4.050 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(Cc3ccccc3Cl)CC2)C1 ZINC001175436080 1048307157 /nfs/dbraw/zinc/30/71/57/1048307157.db2.gz DRLMLIBFYJUYFN-WBVHZDCISA-N 1 0 302.849 4.287 20 30 DIEDRO N#Cc1ccc(F)cc1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001162585124 1048308338 /nfs/dbraw/zinc/30/83/38/1048308338.db2.gz ZJKMEVYGQOHZNN-HXUWFJFHSA-N 1 0 323.415 4.336 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H](CC)CCCC)C2 ZINC001201565852 1048318924 /nfs/dbraw/zinc/31/89/24/1048318924.db2.gz LAORQPMPYWYNFT-CEXWTWQISA-N 1 0 309.494 4.029 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H](CC)CCCC)C2 ZINC001201565855 1048319991 /nfs/dbraw/zinc/31/99/91/1048319991.db2.gz LAORQPMPYWYNFT-QYZOEREBSA-N 1 0 309.494 4.029 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H](CC)CCCC)CC2 ZINC001201564545 1048320419 /nfs/dbraw/zinc/32/04/19/1048320419.db2.gz BSOUXBBGMRFVCF-QUCCMNQESA-N 1 0 320.521 4.236 20 30 DIEDRO CCCCCCCCCCCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001201631086 1048326856 /nfs/dbraw/zinc/32/68/56/1048326856.db2.gz LTSDSUCPWOODOF-FQEVSTJZSA-N 1 0 324.553 4.314 20 30 DIEDRO CCCCCCCCCCCC[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001201634199 1048327843 /nfs/dbraw/zinc/32/78/43/1048327843.db2.gz OZCCKEKGFONFAX-UHFFFAOYSA-N 1 0 323.525 4.055 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001201631408 1048328495 /nfs/dbraw/zinc/32/84/95/1048328495.db2.gz RWXDVLFKXNPCKM-GOSISDBHSA-N 1 0 311.510 4.133 20 30 DIEDRO Cc1csc(N=C2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC001175504813 1048337883 /nfs/dbraw/zinc/33/78/83/1048337883.db2.gz FDJYOVAZURHZJO-UHFFFAOYSA-N 1 0 309.438 4.130 20 30 DIEDRO N#Cc1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)ccc1Cl ZINC001175506372 1048340182 /nfs/dbraw/zinc/34/01/82/1048340182.db2.gz WQWASMLHWVZVKO-UHFFFAOYSA-N 1 0 323.827 4.413 20 30 DIEDRO C=C(C)CN(C)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000481250370 1048341602 /nfs/dbraw/zinc/34/16/02/1048341602.db2.gz CTIHSEMAEUPEMM-UHFFFAOYSA-N 1 0 302.443 4.217 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001203276147 1048346434 /nfs/dbraw/zinc/34/64/34/1048346434.db2.gz ITPJWQQKCOHKKW-WBVHZDCISA-N 1 0 315.457 4.476 20 30 DIEDRO CCCC[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001201717213 1048355168 /nfs/dbraw/zinc/35/51/68/1048355168.db2.gz FXDTWMXUTAXFSC-UHFFFAOYSA-N 1 0 303.409 4.232 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000555462407 1048355747 /nfs/dbraw/zinc/35/57/47/1048355747.db2.gz QHOQUAPDQZMWJM-KRWDZBQOSA-N 1 0 311.425 4.119 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(-n2c3ccccc3nc2[C@H](C)[NH3+])cc1 ZINC001162777276 1048358150 /nfs/dbraw/zinc/35/81/50/1048358150.db2.gz OTQHULBJEPQLRA-YOEHRIQHSA-N 1 0 318.424 4.308 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1ccc(F)cc1Cl ZINC001175533435 1048359385 /nfs/dbraw/zinc/35/93/85/1048359385.db2.gz XKLZCHLYYXBEFG-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CC(C)C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000481307270 1048360221 /nfs/dbraw/zinc/36/02/21/1048360221.db2.gz KUMTYXSWNIVQQQ-HXUWFJFHSA-N 1 0 319.452 4.489 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000600121536 1048367767 /nfs/dbraw/zinc/36/77/67/1048367767.db2.gz WAIDSUUMCZYLGH-FPOVZHCZSA-N 1 0 315.420 4.440 20 30 DIEDRO CCCCCCC[NH+]1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001201762007 1048369477 /nfs/dbraw/zinc/36/94/77/1048369477.db2.gz ZEVSYWURKUGUGW-UHFFFAOYSA-N 1 0 324.509 4.290 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001201804783 1048374712 /nfs/dbraw/zinc/37/47/12/1048374712.db2.gz SFXCXLJIKANZQX-SJORKVTESA-N 1 0 300.446 4.015 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(C(=O)OCC)n1)c1ccccc1 ZINC000600142431 1048374605 /nfs/dbraw/zinc/37/46/05/1048374605.db2.gz MXPIDOWLPKEKFP-SFHVURJKSA-N 1 0 324.424 4.055 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001201798133 1048374856 /nfs/dbraw/zinc/37/48/56/1048374856.db2.gz PQUAEDYTHDZBCI-GOSISDBHSA-N 1 0 314.473 4.077 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@]2(CCC(=O)N2C)[C@@H]1CC ZINC001201813234 1048376638 /nfs/dbraw/zinc/37/66/38/1048376638.db2.gz COQAKTXMOZYIDF-HKUYNNGSSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CCOC[C@@H]2COCC)CC1 ZINC001201776746 1048377712 /nfs/dbraw/zinc/37/77/12/1048377712.db2.gz JUKUVQXIMWHTSA-SFHVURJKSA-N 1 0 311.510 4.112 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@]2(C[C@@H](CCOC)CO2)C1 ZINC001201813149 1048377826 /nfs/dbraw/zinc/37/78/26/1048377826.db2.gz BETKIHDJKBASRS-RTBURBONSA-N 1 0 311.510 4.255 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201776494 1048377966 /nfs/dbraw/zinc/37/79/66/1048377966.db2.gz DQGYZDKZFUNNRK-IRXDYDNUSA-N 1 0 321.534 4.010 20 30 DIEDRO CCCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201787217 1048379985 /nfs/dbraw/zinc/37/99/85/1048379985.db2.gz ADTUGTSAQRCNAP-INIZCTEOSA-N 1 0 312.498 4.146 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CCN(C(C)=O)C2)CC1 ZINC001201853054 1048382223 /nfs/dbraw/zinc/38/22/23/1048382223.db2.gz ZLPYPSLOZLBURV-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001201826482 1048383392 /nfs/dbraw/zinc/38/33/92/1048383392.db2.gz XRDCFZUXXSISRD-UHFFFAOYSA-N 1 0 321.509 4.011 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001201826342 1048383491 /nfs/dbraw/zinc/38/34/91/1048383491.db2.gz SMMDGZQPXRAMGW-OALUTQOASA-N 1 0 309.494 4.007 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CCCCN2C(C)=O)CC1 ZINC001201826379 1048383789 /nfs/dbraw/zinc/38/37/89/1048383789.db2.gz UHYFUCVTKSTHBV-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3c(C#N)c[nH]c3c2)c1 ZINC001162908859 1048385372 /nfs/dbraw/zinc/38/53/72/1048385372.db2.gz RXUCSINBJMQMIL-GFCCVEGCSA-N 1 0 300.365 4.003 20 30 DIEDRO C[C@H]1C[NH+](Cc2cccc(OCCCC#N)c2)C[C@H](C)C1(F)F ZINC000600184210 1048385991 /nfs/dbraw/zinc/38/59/91/1048385991.db2.gz OCXHOVSBEHJJSJ-GJZGRUSLSA-N 1 0 322.399 4.092 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc(Cl)ccc2CC#N)c1 ZINC001162914672 1048388384 /nfs/dbraw/zinc/38/83/84/1048388384.db2.gz WRQPJRGTMSQSPK-LBPRGKRZSA-N 1 0 309.800 4.370 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001201846900 1048388919 /nfs/dbraw/zinc/38/89/19/1048388919.db2.gz OTNABNTYPPTUNY-RTBURBONSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001201846891 1048388946 /nfs/dbraw/zinc/38/89/46/1048388946.db2.gz OTNABNTYPPTUNY-MOPGFXCFSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001201846895 1048390179 /nfs/dbraw/zinc/39/01/79/1048390179.db2.gz OTNABNTYPPTUNY-RBUKOAKNSA-N 1 0 322.537 4.316 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000481398347 1048392656 /nfs/dbraw/zinc/39/26/56/1048392656.db2.gz DOZBCNFYYKMSHC-IBGZPJMESA-N 1 0 305.425 4.243 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001201874668 1048393321 /nfs/dbraw/zinc/39/33/21/1048393321.db2.gz CDSNWGGBPVHULM-UHFFFAOYSA-N 1 0 323.525 4.257 20 30 DIEDRO C[N@H+](CCc1cccc(Nc2cc(F)ccc2C#N)c1)C1CC1 ZINC001162943732 1048393359 /nfs/dbraw/zinc/39/33/59/1048393359.db2.gz RLIKETBTVWIKEE-UHFFFAOYSA-N 1 0 309.388 4.078 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001201874873 1048394275 /nfs/dbraw/zinc/39/42/75/1048394275.db2.gz KFXAGFHBCAHUBS-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001201874657 1048394288 /nfs/dbraw/zinc/39/42/88/1048394288.db2.gz BRBRXKSPAHBREK-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810227566 1048395605 /nfs/dbraw/zinc/39/56/05/1048395605.db2.gz XXQRKEMYBNKKLP-CQSZACIVSA-N 1 0 317.351 4.044 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000555592112 1048396336 /nfs/dbraw/zinc/39/63/36/1048396336.db2.gz MGRMLBLLSGNWCB-IEBWSBKVSA-N 1 0 300.490 4.231 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000555591252 1048397103 /nfs/dbraw/zinc/39/71/03/1048397103.db2.gz UGEXLBWFPVJOGW-UHFFFAOYSA-N 1 0 310.441 4.449 20 30 DIEDRO C=C(C)CCc1ccccc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163061029 1048411988 /nfs/dbraw/zinc/41/19/88/1048411988.db2.gz QZDRMSVWXRLKDS-SFHVURJKSA-N 1 0 323.484 4.218 20 30 DIEDRO N#Cc1cc(F)cc(Nc2cc[nH+]cc2Oc2ccccc2)c1 ZINC001175679725 1048413493 /nfs/dbraw/zinc/41/34/93/1048413493.db2.gz QVPOQWYVVSEBMS-UHFFFAOYSA-N 1 0 305.312 4.050 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@@H]2CC(C)(C)CO2)cc1Cl ZINC001203666120 1048425449 /nfs/dbraw/zinc/42/54/49/1048425449.db2.gz YZSSSBZLDSXCPB-OAHLLOKOSA-N 1 0 323.864 4.200 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC001163216123 1048437964 /nfs/dbraw/zinc/43/79/64/1048437964.db2.gz ZBJZXIPNOPLVKT-NJYVYQBISA-N 1 0 319.452 4.465 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1 ZINC001202084002 1048444498 /nfs/dbraw/zinc/44/44/98/1048444498.db2.gz OZSIGIDFUNYEDT-OALUTQOASA-N 1 0 319.489 4.285 20 30 DIEDRO C=C[C@@H](COC)[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001202094060 1048449515 /nfs/dbraw/zinc/44/95/15/1048449515.db2.gz ZLTDJXUKGJLCDJ-SONCPKABSA-N 1 0 323.436 4.069 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481671462 1048453010 /nfs/dbraw/zinc/45/30/10/1048453010.db2.gz BPRMLPDEGSTZIZ-KKSFZXQISA-N 1 0 318.420 4.141 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC2C(C)(C)C2(C)C)ccc1OC ZINC001202118849 1048455265 /nfs/dbraw/zinc/45/52/65/1048455265.db2.gz KURYKEQSBZTUFJ-UHFFFAOYSA-N 1 0 317.473 4.422 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)C1 ZINC001202111103 1048464942 /nfs/dbraw/zinc/46/49/42/1048464942.db2.gz MDGKLGVDLUDXAG-TZMCWYRMSA-N 1 0 303.837 4.061 20 30 DIEDRO C=C(C)CNc1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001163381860 1048465075 /nfs/dbraw/zinc/46/50/75/1048465075.db2.gz ICDNXAWLSVFZCI-LJQANCHMSA-N 1 0 309.457 4.153 20 30 DIEDRO Cn1ccc2c1cccc2NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163684058 1048502869 /nfs/dbraw/zinc/50/28/69/1048502869.db2.gz OKJQPEALPXKWQV-UHFFFAOYSA-N 1 0 317.314 4.234 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC001202282086 1048511023 /nfs/dbraw/zinc/51/10/23/1048511023.db2.gz ZWOZGQOHOWDZMJ-UHFFFAOYSA-N 1 0 315.420 4.326 20 30 DIEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001175991479 1048520694 /nfs/dbraw/zinc/52/06/94/1048520694.db2.gz FDWZOPORRHKWKG-AWEZNQCLSA-N 1 0 301.792 4.490 20 30 DIEDRO COc1cccc(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481921707 1048528040 /nfs/dbraw/zinc/52/80/40/1048528040.db2.gz NWWWIIDYCBVLGU-NRFANRHFSA-N 1 0 320.436 4.167 20 30 DIEDRO C/C(=N\O)c1ccc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC001163848216 1048539055 /nfs/dbraw/zinc/53/90/55/1048539055.db2.gz MIJBSDKOOAXULT-WSDLNYQXSA-N 1 0 311.429 4.490 20 30 DIEDRO N#Cc1ccc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c2cc[nH]c21 ZINC001163902345 1048547038 /nfs/dbraw/zinc/54/70/38/1048547038.db2.gz NGHRAKFLXUAZJC-UHFFFAOYSA-N 1 0 320.783 4.096 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000775201194 1048558143 /nfs/dbraw/zinc/55/81/43/1048558143.db2.gz BPCHZJYHXLTSHR-OAHLLOKOSA-N 1 0 324.399 4.142 20 30 DIEDRO C=CCOCc1cccc(NCc2cccc(C[NH+](C)C)c2)c1 ZINC001163998289 1048566827 /nfs/dbraw/zinc/56/68/27/1048566827.db2.gz BSLKVJRMPDEENF-UHFFFAOYSA-N 1 0 310.441 4.063 20 30 DIEDRO CC(C)([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(F)cc1 ZINC001176176787 1048580449 /nfs/dbraw/zinc/58/04/49/1048580449.db2.gz SQRYTPPOYMXQJX-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO CC[C@](C)([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000107718090 1048591326 /nfs/dbraw/zinc/59/13/26/1048591326.db2.gz OJSPNOIAHQJJTB-NRFANRHFSA-N 1 0 321.468 4.451 20 30 DIEDRO CC[C@@](C)([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000107718093 1048591631 /nfs/dbraw/zinc/59/16/31/1048591631.db2.gz OJSPNOIAHQJJTB-OAQYLSRUSA-N 1 0 321.468 4.451 20 30 DIEDRO CC[C@@](C)([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 ZINC000107717467 1048591646 /nfs/dbraw/zinc/59/16/46/1048591646.db2.gz HBICEXIZCIFVOV-OXJNMPFZSA-N 1 0 308.425 4.392 20 30 DIEDRO CCC[N@H+](CCOCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000338923583 1048593164 /nfs/dbraw/zinc/59/31/64/1048593164.db2.gz CXMPHUHIHDYVAP-OAHLLOKOSA-N 1 0 300.402 4.136 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)CCC=C(C)C)cc(OC)c1O ZINC001202475237 1048598122 /nfs/dbraw/zinc/59/81/22/1048598122.db2.gz QSFXNAQKNQUKEB-HNNXBMFYSA-N 1 0 303.446 4.354 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccn1)c1cccc2ccccc21 ZINC001176219459 1048607440 /nfs/dbraw/zinc/60/74/40/1048607440.db2.gz YIPDTIBHIKUADD-FQEVSTJZSA-N 1 0 301.393 4.347 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(F)c1 ZINC000850080243 1048616741 /nfs/dbraw/zinc/61/67/41/1048616741.db2.gz HYNRGRIMZKDYTE-OAHLLOKOSA-N 1 0 308.400 4.274 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000850119983 1048618931 /nfs/dbraw/zinc/61/89/31/1048618931.db2.gz UMSYJTBZGLHNKK-UHFFFAOYSA-N 1 0 308.400 4.406 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2cc(C#N)ccc2C(F)(F)F)cc1 ZINC001176292230 1048621732 /nfs/dbraw/zinc/62/17/32/1048621732.db2.gz PAMAFHYRSMFIPO-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001176293608 1048622088 /nfs/dbraw/zinc/62/20/88/1048622088.db2.gz ONVBUBRABNKJCW-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO N#Cc1ccc2c(c1)CCN(c1cc(-c3ccccc3)ccn1)C2 ZINC001164478026 1048632272 /nfs/dbraw/zinc/63/22/72/1048632272.db2.gz ZIFAAKIHIYXXSB-UHFFFAOYSA-N 1 0 311.388 4.183 20 30 DIEDRO COc1c(C)cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1C ZINC000850355185 1048636306 /nfs/dbraw/zinc/63/63/06/1048636306.db2.gz HIPHETCMKJUSAM-UHFFFAOYSA-N 1 0 308.425 4.209 20 30 DIEDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000482568813 1048636551 /nfs/dbraw/zinc/63/65/51/1048636551.db2.gz RTJFTLNZUNYGGJ-IBGZPJMESA-N 1 0 312.363 4.000 20 30 DIEDRO C[C@H](NCc1ccccc1C#N)c1cccc(OC(F)F)c1 ZINC000160114011 1048638464 /nfs/dbraw/zinc/63/84/64/1048638464.db2.gz PYNKIEZFOSSJDL-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 ZINC000237512438 1048639595 /nfs/dbraw/zinc/63/95/95/1048639595.db2.gz OYMFYLFPPGPIOP-MSOLQXFVSA-N 1 0 322.452 4.315 20 30 DIEDRO Fc1ccc(C#CC[N@H+](Cc2cccc(F)c2)C2CCC2)cc1 ZINC001176304833 1048641188 /nfs/dbraw/zinc/64/11/88/1048641188.db2.gz QXFYGTHKZFNOFV-UHFFFAOYSA-N 1 0 311.375 4.371 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C1CCC(F)CC1 ZINC000850396344 1048646334 /nfs/dbraw/zinc/64/63/34/1048646334.db2.gz UOFORIFSGHMEOQ-FAEJEUNOSA-N 1 0 317.452 4.043 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775274548 1048647634 /nfs/dbraw/zinc/64/76/34/1048647634.db2.gz OTJLEZXKRPHARK-HOTGVXAUSA-N 1 0 300.446 4.209 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)CC1 ZINC000482635887 1048652761 /nfs/dbraw/zinc/65/27/61/1048652761.db2.gz UWJHTLNYUSHOTJ-GFCCVEGCSA-N 1 0 313.272 4.294 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1ccncc1 ZINC000850434964 1048656913 /nfs/dbraw/zinc/65/69/13/1048656913.db2.gz DZMBSAHRBAYDCO-WFASDCNBSA-N 1 0 303.356 4.382 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cc2cnccc2o1 ZINC000850444632 1048657596 /nfs/dbraw/zinc/65/75/96/1048657596.db2.gz YPVJHFOTJWWISB-UONOGXRCSA-N 1 0 321.380 4.142 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)c1 ZINC000850442088 1048658344 /nfs/dbraw/zinc/65/83/44/1048658344.db2.gz AMZCKVNEZXFHOH-JSGCOSHPSA-N 1 0 310.388 4.137 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000775319085 1048662233 /nfs/dbraw/zinc/66/22/33/1048662233.db2.gz MRJLMXUNLKZGCF-IBGZPJMESA-N 1 0 316.395 4.438 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000850485530 1048671351 /nfs/dbraw/zinc/67/13/51/1048671351.db2.gz KSBKNVLOVNXBBS-LBPRGKRZSA-N 1 0 301.356 4.110 20 30 DIEDRO CC(C)c1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000775329821 1048672454 /nfs/dbraw/zinc/67/24/54/1048672454.db2.gz SQWJXDSRPFSGJP-INIZCTEOSA-N 1 0 308.425 4.391 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000850504182 1048673353 /nfs/dbraw/zinc/67/33/53/1048673353.db2.gz WRCCGNPCPXTJIY-OAHLLOKOSA-N 1 0 315.486 4.141 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000850526504 1048679178 /nfs/dbraw/zinc/67/91/78/1048679178.db2.gz VQOQJIILQHPEMZ-HOCLYGCPSA-N 1 0 321.848 4.180 20 30 DIEDRO C#CC[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CCCc2ccccc21 ZINC001176453385 1048687960 /nfs/dbraw/zinc/68/79/60/1048687960.db2.gz SVOOQABZCIGARD-QAPCUYQASA-N 1 0 303.396 4.435 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1ccc(OCC#N)cc1 ZINC000850554738 1048688537 /nfs/dbraw/zinc/68/85/37/1048688537.db2.gz KWVYDIXWEUCDSE-FSOQPWQOSA-N 1 0 304.409 4.156 20 30 DIEDRO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850572795 1048699702 /nfs/dbraw/zinc/69/97/02/1048699702.db2.gz GTLJDWPFEOYNEN-HNONPPJISA-N 1 0 320.864 4.070 20 30 DIEDRO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H](O)c1ccc(Cl)cc1 ZINC000850572797 1048699830 /nfs/dbraw/zinc/69/98/30/1048699830.db2.gz GTLJDWPFEOYNEN-NKGKWGDASA-N 1 0 320.864 4.070 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000775379548 1048730708 /nfs/dbraw/zinc/73/07/08/1048730708.db2.gz DHUKQOPXRKJXJU-VLIAUNLRSA-N 1 0 318.420 4.221 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000775379549 1048731576 /nfs/dbraw/zinc/73/15/76/1048731576.db2.gz DHUKQOPXRKJXJU-XOBRGWDASA-N 1 0 318.420 4.221 20 30 DIEDRO N#Cc1ccc(OCCC[N@H+](CC2CCCCC2)C2CC2)cc1 ZINC001190426661 1048735742 /nfs/dbraw/zinc/73/57/42/1048735742.db2.gz JGFKGDVQDOSXPI-UHFFFAOYSA-N 1 0 312.457 4.372 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000775393059 1048748219 /nfs/dbraw/zinc/74/82/19/1048748219.db2.gz KOOTXTULXRVLCH-PMACEKPBSA-N 1 0 303.409 4.238 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000775393061 1048748857 /nfs/dbraw/zinc/74/88/57/1048748857.db2.gz KOOTXTULXRVLCH-VQTJNVASSA-N 1 0 303.409 4.238 20 30 DIEDRO C#CC[N@H+](CCC1(C#N)CCCCC1)[C@@H]1CCc2ccccc21 ZINC001190527134 1048749695 /nfs/dbraw/zinc/74/96/95/1048749695.db2.gz DPQRBQDQECVPMB-HXUWFJFHSA-N 1 0 306.453 4.473 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C(=O)O[C@H](C)CC(C)(C)C#N)cc1 ZINC000851205408 1048750917 /nfs/dbraw/zinc/75/09/17/1048750917.db2.gz ZJBMJECHKDYREI-OAHLLOKOSA-N 1 0 316.445 4.014 20 30 DIEDRO C#CCCC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000775394574 1048751583 /nfs/dbraw/zinc/75/15/83/1048751583.db2.gz RJFWXMYOTDCTTC-NHYWBVRUSA-N 1 0 324.287 4.235 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](CCc1ccccc1)CC(C)C ZINC001190550463 1048752972 /nfs/dbraw/zinc/75/29/72/1048752972.db2.gz JREIAZHSZWWOGJ-UHFFFAOYSA-N 1 0 322.452 4.268 20 30 DIEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000483187790 1048754299 /nfs/dbraw/zinc/75/42/99/1048754299.db2.gz VQVYMWNGZDEXRJ-FQEVSTJZSA-N 1 0 323.440 4.023 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](CCc1ccccc1)C(C)C ZINC001190582325 1048762582 /nfs/dbraw/zinc/76/25/82/1048762582.db2.gz WFWFUMDZSWOPNB-UHFFFAOYSA-N 1 0 308.425 4.020 20 30 DIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000775398855 1048763389 /nfs/dbraw/zinc/76/33/89/1048763389.db2.gz CPHDRBMEDNJOPX-HXUWFJFHSA-N 1 0 320.436 4.103 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(C)nc2ccccc12)c1ccccc1 ZINC000775400007 1048764447 /nfs/dbraw/zinc/76/44/47/1048764447.db2.gz LGQHDGYDSYPLRE-FQEVSTJZSA-N 1 0 300.405 4.397 20 30 DIEDRO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483259701 1048765245 /nfs/dbraw/zinc/76/52/45/1048765245.db2.gz XUIZHWPRRALITQ-SFHVURJKSA-N 1 0 315.848 4.379 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)c1cc2ccccc2o1 ZINC001190699237 1048771770 /nfs/dbraw/zinc/77/17/70/1048771770.db2.gz GKGCFCGEVOLCCR-LJQANCHMSA-N 1 0 321.420 4.197 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@](O)(c1ccccc1)C(C)C ZINC001190700121 1048773187 /nfs/dbraw/zinc/77/31/87/1048773187.db2.gz UPSWISBSWNCKRC-QFIPXVFZSA-N 1 0 323.480 4.261 20 30 DIEDRO COCC[N@H+](CC/C=C\c1ccccc1)Cc1ccc(C#N)cc1 ZINC001190810375 1048789206 /nfs/dbraw/zinc/78/92/06/1048789206.db2.gz PHJOWGOFHZICBJ-UITAMQMPSA-N 1 0 320.436 4.110 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001176771795 1048789605 /nfs/dbraw/zinc/78/96/05/1048789605.db2.gz VRSZYTYHBXKVMU-IRXDYDNUSA-N 1 0 318.848 4.264 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC001176797860 1048789630 /nfs/dbraw/zinc/78/96/30/1048789630.db2.gz GHMYMVHPDOYDEX-DLBZAZTESA-N 1 0 314.473 4.031 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1 ZINC000775413499 1048791240 /nfs/dbraw/zinc/79/12/40/1048791240.db2.gz FAWPGKNICKAYPG-HZMVEIRTSA-N 1 0 318.511 4.001 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001190854694 1048793121 /nfs/dbraw/zinc/79/31/21/1048793121.db2.gz JTFKYBJHSJVHNM-LJQANCHMSA-N 1 0 320.436 4.022 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001190854690 1048793847 /nfs/dbraw/zinc/79/38/47/1048793847.db2.gz JTFKYBJHSJVHNM-IBGZPJMESA-N 1 0 320.436 4.022 20 30 DIEDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000483427542 1048794530 /nfs/dbraw/zinc/79/45/30/1048794530.db2.gz SBPCLVSNBRNACQ-LJQANCHMSA-N 1 0 312.363 4.000 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190864222 1048795948 /nfs/dbraw/zinc/79/59/48/1048795948.db2.gz FJHFTFSRFZGTHV-OKILXGFUSA-N 1 0 311.347 4.200 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC001190873503 1048798143 /nfs/dbraw/zinc/79/81/43/1048798143.db2.gz WFPHMKKQBMMICD-UHFFFAOYSA-N 1 0 312.457 4.373 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC001190884493 1048799299 /nfs/dbraw/zinc/79/92/99/1048799299.db2.gz WFWIVIUKQXYYGH-NRFANRHFSA-N 1 0 320.436 4.139 20 30 DIEDRO N#CC1CCC(C[N@@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC001190894670 1048800092 /nfs/dbraw/zinc/80/00/92/1048800092.db2.gz GXCYLSCMTSPTDM-UHFFFAOYSA-N 1 0 312.457 4.467 20 30 DIEDRO C[N@H+](CCSc1cccc(C#N)c1Cl)Cc1ccccc1 ZINC001166872560 1048805819 /nfs/dbraw/zinc/80/58/19/1048805819.db2.gz LLHXSLGDMRXTKR-UHFFFAOYSA-N 1 0 316.857 4.436 20 30 DIEDRO N#CCc1cc(F)cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001166910542 1048812979 /nfs/dbraw/zinc/81/29/79/1048812979.db2.gz NWARYFIRDNPMQI-HXUWFJFHSA-N 1 0 323.415 4.141 20 30 DIEDRO SCc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC001166911069 1048813341 /nfs/dbraw/zinc/81/33/41/1048813341.db2.gz SMARCOHWFIMUNQ-IBGZPJMESA-N 1 0 312.482 4.365 20 30 DIEDRO COc1cc2ccc([C@@H](C)[NH2+]CC3(C#N)CCC3)cc2cc1OC ZINC000903035506 1048815748 /nfs/dbraw/zinc/81/57/48/1048815748.db2.gz QJMFIEHLWPKOTR-CQSZACIVSA-N 1 0 324.424 4.201 20 30 DIEDRO CCCCCCC[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC001177127546 1048827779 /nfs/dbraw/zinc/82/77/79/1048827779.db2.gz HSTIRHGOTCDBCU-UHFFFAOYSA-N 1 0 308.495 4.283 20 30 DIEDRO CCCc1cc(C#N)c(Nc2cccc(C[NH2+]C)c2)nc1Cl ZINC001167033632 1048832479 /nfs/dbraw/zinc/83/24/79/1048832479.db2.gz QNSLGYAONKDSRF-UHFFFAOYSA-N 1 0 314.820 4.022 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+]CC#Cc3ccccc3)c(C)c2c1 ZINC000483691943 1048840365 /nfs/dbraw/zinc/84/03/65/1048840365.db2.gz KSZMAEDVBTXXHZ-INIZCTEOSA-N 1 0 319.404 4.452 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)C1 ZINC001203187550 1048843477 /nfs/dbraw/zinc/84/34/77/1048843477.db2.gz MIWJHBFMIKOZGN-BPQIPLTHSA-N 1 0 307.441 4.194 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccccc1CC(C)C ZINC001203207576 1048846714 /nfs/dbraw/zinc/84/67/14/1048846714.db2.gz MDRAZRZGRZXWBT-UHFFFAOYSA-N 1 0 307.437 4.187 20 30 DIEDRO Cc1cc(C[NH2+]CC2CCc3ccccc3CC2)ccc1C#N ZINC001203243744 1048849357 /nfs/dbraw/zinc/84/93/57/1048849357.db2.gz RLGXAFRJTWFIPH-UHFFFAOYSA-N 1 0 304.437 4.152 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc(SC(=O)N(C)C)c2)CCCC1 ZINC000852588754 1048850627 /nfs/dbraw/zinc/85/06/27/1048850627.db2.gz YLJVZWGVOIOINZ-UHFFFAOYSA-N 1 0 318.486 4.439 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CCc2ccc(C(C)(C)C)cc2)cc1 ZINC001177251865 1048854442 /nfs/dbraw/zinc/85/44/42/1048854442.db2.gz ZIICXWGQTDLXQI-UHFFFAOYSA-N 1 0 321.464 4.328 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001203276145 1048854649 /nfs/dbraw/zinc/85/46/49/1048854649.db2.gz ITPJWQQKCOHKKW-NVXWUHKLSA-N 1 0 315.457 4.476 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CC23CCCCC3)c1 ZINC001203262603 1048854669 /nfs/dbraw/zinc/85/46/69/1048854669.db2.gz DGGUXEYSCLIAAG-OAHLLOKOSA-N 1 0 319.246 4.133 20 30 DIEDRO CC1(C)C[C@]1([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000852772922 1048859061 /nfs/dbraw/zinc/85/90/61/1048859061.db2.gz SJHJVTIHSIHFHI-FQEVSTJZSA-N 1 0 306.409 4.004 20 30 DIEDRO CCCCCCCNC(=O)N1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001191095690 1048864741 /nfs/dbraw/zinc/86/47/41/1048864741.db2.gz ITMSZWPWGLXCEG-ROUUACIJSA-N 1 0 323.525 4.005 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001191157383 1048870330 /nfs/dbraw/zinc/87/03/30/1048870330.db2.gz XSIUAQXGTZTHPH-YADHBBJMSA-N 1 0 316.448 4.447 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC001203339104 1048873125 /nfs/dbraw/zinc/87/31/25/1048873125.db2.gz LJNJZZOZOOSNJG-UHFFFAOYSA-N 1 0 313.445 4.167 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)cc1 ZINC000853091517 1048878742 /nfs/dbraw/zinc/87/87/42/1048878742.db2.gz LHWPDGCKUZUNPS-HRAATJIYSA-N 1 0 320.436 4.392 20 30 DIEDRO C=CCCC1(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)CC1 ZINC000483855591 1048879272 /nfs/dbraw/zinc/87/92/72/1048879272.db2.gz FFZMMHZQEPMLKO-UHFFFAOYSA-N 1 0 312.457 4.276 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)cc1 ZINC000853091616 1048879359 /nfs/dbraw/zinc/87/93/59/1048879359.db2.gz LHWPDGCKUZUNPS-KKSFZXQISA-N 1 0 320.436 4.392 20 30 DIEDRO Clc1ccccc1C#CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001191193627 1048880162 /nfs/dbraw/zinc/88/01/62/1048880162.db2.gz MXLYHKARMQMSBG-GOSISDBHSA-N 1 0 309.840 4.256 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)cc1 ZINC000853095906 1048881666 /nfs/dbraw/zinc/88/16/66/1048881666.db2.gz DZVHEDQMWZFWBI-LBPRGKRZSA-N 1 0 314.351 4.046 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000483957053 1048886363 /nfs/dbraw/zinc/88/63/63/1048886363.db2.gz HEWHPJLJPPBOJK-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483964111 1048890114 /nfs/dbraw/zinc/89/01/14/1048890114.db2.gz NPYMXHDMSHCKOR-SUMWQHHRSA-N 1 0 312.363 4.214 20 30 DIEDRO CCCCCCC[C@H](C)C[NH2+]Cc1nc(Br)c[nH]1 ZINC001177428820 1048891135 /nfs/dbraw/zinc/89/11/35/1048891135.db2.gz IXNOHGLRDZTZOY-LBPRGKRZSA-N 1 0 316.287 4.258 20 30 DIEDRO CCCCCCC[C@H](C)C[NH2+]C1CCN(C(=O)OCC)CC1 ZINC001177429148 1048891870 /nfs/dbraw/zinc/89/18/70/1048891870.db2.gz PQRCIHGVJNEZPG-INIZCTEOSA-N 1 0 312.498 4.194 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001191191411 1048892482 /nfs/dbraw/zinc/89/24/82/1048892482.db2.gz AXOOOTAYUDTLNT-QGZVFWFLSA-N 1 0 310.828 4.276 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)ccc1F ZINC000484083426 1048898015 /nfs/dbraw/zinc/89/80/15/1048898015.db2.gz JCTOIQKCIYJGOB-IBGZPJMESA-N 1 0 312.363 4.386 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000484099794 1048898872 /nfs/dbraw/zinc/89/88/72/1048898872.db2.gz ZYGAOZPJISGMJZ-BEFAXECRSA-N 1 0 313.828 4.057 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1c1ccccc1 ZINC001191224074 1048903255 /nfs/dbraw/zinc/90/32/55/1048903255.db2.gz SFWCELNVYCADCV-DNVCBOLYSA-N 1 0 308.400 4.323 20 30 DIEDRO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)c1 ZINC000484084557 1048903116 /nfs/dbraw/zinc/90/31/16/1048903116.db2.gz VZOVNUQTIGVSGT-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO COc1cccc2c1CCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C2 ZINC001177524766 1048907221 /nfs/dbraw/zinc/90/72/21/1048907221.db2.gz IBNRRTLPECUJRZ-HNAYVOBHSA-N 1 0 320.436 4.165 20 30 DIEDRO COc1ccc2c(Nc3c(C#N)ccc(F)c3F)cc[nH+]c2c1 ZINC001203528566 1048920448 /nfs/dbraw/zinc/92/04/48/1048920448.db2.gz SDPKIJNYNAEKMT-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO Oc1cccc2c1CCC[C@@H]2[NH2+]CC#Cc1cccc(Cl)c1 ZINC000484304061 1048920755 /nfs/dbraw/zinc/92/07/55/1048920755.db2.gz UDJDZEAZBLOYED-SFHVURJKSA-N 1 0 311.812 4.064 20 30 DIEDRO CC1(C)CN(Cc2cc(F)ccc2C#N)CC[C@@H]1C(F)(F)F ZINC000484348730 1048928769 /nfs/dbraw/zinc/92/87/69/1048928769.db2.gz GEATUPYEVHJWRU-AWEZNQCLSA-N 1 0 314.326 4.108 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(C)ccc(Br)c2F)CC1 ZINC001203559232 1048928956 /nfs/dbraw/zinc/92/89/56/1048928956.db2.gz FVSJIOMSYGIWSE-JOCQHMNTSA-N 1 0 324.237 4.178 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000338958280 1048939359 /nfs/dbraw/zinc/93/93/59/1048939359.db2.gz UJLFUUCCLBOKAD-MRXNPFEDSA-N 1 0 324.424 4.229 20 30 DIEDRO C=CCC[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854107013 1048941821 /nfs/dbraw/zinc/94/18/21/1048941821.db2.gz RZWQOYKWMPYYIT-UHFFFAOYSA-N 1 0 311.404 4.038 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001177875754 1048949638 /nfs/dbraw/zinc/94/96/38/1048949638.db2.gz PXSVHLNOOPZZDM-UHFFFAOYSA-N 1 0 306.409 4.030 20 30 DIEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001191477584 1048950443 /nfs/dbraw/zinc/95/04/43/1048950443.db2.gz ZBSRKFUWWCYWBR-FXAWDEMLSA-N 1 0 307.412 4.130 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC001177871508 1048950587 /nfs/dbraw/zinc/95/05/87/1048950587.db2.gz WZIPADRZOQLACY-INIZCTEOSA-N 1 0 311.473 4.283 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccncc1 ZINC001177885140 1048955767 /nfs/dbraw/zinc/95/57/67/1048955767.db2.gz OAINEIWHFOFVRJ-OAHLLOKOSA-N 1 0 301.459 4.243 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccccc1CC(=O)OC)c1ccccc1 ZINC000775462702 1048958307 /nfs/dbraw/zinc/95/83/07/1048958307.db2.gz CPWAUUFDDVGYSE-FQEVSTJZSA-N 1 0 323.436 4.199 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1C ZINC001203683494 1048960677 /nfs/dbraw/zinc/96/06/77/1048960677.db2.gz WYIDHNIRTASLGZ-UHFFFAOYSA-N 1 0 312.388 4.084 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(C)s2)cc1 ZINC000776726036 1048961985 /nfs/dbraw/zinc/96/19/85/1048961985.db2.gz RXCSPOCOLCZPFG-GOEBONIOSA-N 1 0 313.466 4.350 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc(C)s2)cc1 ZINC000776726040 1048962966 /nfs/dbraw/zinc/96/29/66/1048962966.db2.gz RXCSPOCOLCZPFG-ZBFHGGJFSA-N 1 0 313.466 4.350 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776728398 1048964958 /nfs/dbraw/zinc/96/49/58/1048964958.db2.gz FPGHYCFXBUIZKC-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)cc(OC)c1O ZINC001177951024 1048970315 /nfs/dbraw/zinc/97/03/15/1048970315.db2.gz YVUWNYJTWXQGSN-RHSMWYFYSA-N 1 0 317.473 4.434 20 30 DIEDRO Cc1ccccc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001203706993 1048970978 /nfs/dbraw/zinc/97/09/78/1048970978.db2.gz WAIFFWYMJRCSMX-UHFFFAOYSA-N 1 0 304.437 4.321 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1ccccc1C)CC1CCCCC1 ZINC000484566354 1048976813 /nfs/dbraw/zinc/97/68/13/1048976813.db2.gz DSWDRYXTKIDPAZ-UHFFFAOYSA-N 1 0 300.446 4.002 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000776746915 1048979269 /nfs/dbraw/zinc/97/92/69/1048979269.db2.gz JQONREODVXPLLZ-AWEZNQCLSA-N 1 0 306.450 4.275 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCCCC2(C)C)cc(OC)c1O ZINC001178060720 1048980605 /nfs/dbraw/zinc/98/06/05/1048980605.db2.gz XSEKKPOUQSGUTN-KRWDZBQOSA-N 1 0 303.446 4.188 20 30 DIEDRO N#Cc1c2c(sc1Nc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC001203773857 1048996289 /nfs/dbraw/zinc/99/62/89/1048996289.db2.gz SYYGJCHEAGKHCF-UHFFFAOYSA-N 1 0 323.465 4.448 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)CC(C)C)cc1OC ZINC001178272243 1049009453 /nfs/dbraw/zinc/00/94/53/1049009453.db2.gz LDFDVLKTKLJOGW-CYBMUJFWSA-N 1 0 311.853 4.438 20 30 DIEDRO C=CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)C1CCCCC1 ZINC001203850115 1049015428 /nfs/dbraw/zinc/01/54/28/1049015428.db2.gz MEOXARRAYIBNQY-UHFFFAOYSA-N 1 0 319.445 4.033 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000776800591 1049020312 /nfs/dbraw/zinc/02/03/12/1049020312.db2.gz RPMAQOAVIUNOTG-INIZCTEOSA-N 1 0 312.363 4.134 20 30 DIEDRO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC001203903395 1049028560 /nfs/dbraw/zinc/02/85/60/1049028560.db2.gz DYBGUQSBQUEBFW-HXUWFJFHSA-N 1 0 306.409 4.294 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000113314097 1049031821 /nfs/dbraw/zinc/03/18/21/1049031821.db2.gz LARHFRMOGZJBRW-IBGZPJMESA-N 1 0 323.461 4.415 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000113316729 1049032695 /nfs/dbraw/zinc/03/26/95/1049032695.db2.gz PFXSTFPXDYLJGA-OAQYLSRUSA-N 1 0 305.421 4.330 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000113331858 1049033333 /nfs/dbraw/zinc/03/33/33/1049033333.db2.gz SYZICNAZUHKCSX-FQEVSTJZSA-N 1 0 321.420 4.092 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCC1Cc2ccccc2C1 ZINC001178493298 1049039804 /nfs/dbraw/zinc/03/98/04/1049039804.db2.gz WIRIFIXCAOYHRQ-UHFFFAOYSA-N 1 0 304.437 4.070 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(Cl)ccc1O ZINC000775501694 1049040410 /nfs/dbraw/zinc/04/04/10/1049040410.db2.gz KFWUJXRZACPUAV-MRXNPFEDSA-N 1 0 318.779 4.297 20 30 DIEDRO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001203962173 1049046509 /nfs/dbraw/zinc/04/65/09/1049046509.db2.gz HOPDUWGVVCYXKZ-GOSISDBHSA-N 1 0 320.436 4.391 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC001178532043 1049051332 /nfs/dbraw/zinc/05/13/32/1049051332.db2.gz HSLIRXJNLFKAFR-UTKZUKDTSA-N 1 0 324.468 4.032 20 30 DIEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001178536981 1049053974 /nfs/dbraw/zinc/05/39/74/1049053974.db2.gz GKYGERMJAOFGIX-INIZCTEOSA-N 1 0 301.817 4.298 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)c(F)cc1Br ZINC001178584658 1049057181 /nfs/dbraw/zinc/05/71/81/1049057181.db2.gz NEZMLSXEIQXKDI-GFCCVEGCSA-N 1 0 300.215 4.341 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001178583951 1049057458 /nfs/dbraw/zinc/05/74/58/1049057458.db2.gz BRGFEHINCPYUGI-ZBFHGGJFSA-N 1 0 313.363 4.085 20 30 DIEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001178589252 1049057615 /nfs/dbraw/zinc/05/76/15/1049057615.db2.gz FXNGWIWJDSKUCF-INIZCTEOSA-N 1 0 301.817 4.034 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1cc(OC)c(Br)cc1F ZINC001178584907 1049057673 /nfs/dbraw/zinc/05/76/73/1049057673.db2.gz RBZRZDQGNHDXGH-NSHDSACASA-N 1 0 316.214 4.041 20 30 DIEDRO C=CC[C@H](C)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001192183612 1049057874 /nfs/dbraw/zinc/05/78/74/1049057874.db2.gz KQDCKYRPSPUOMI-IBGZPJMESA-N 1 0 312.501 4.472 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001178584641 1049057977 /nfs/dbraw/zinc/05/79/77/1049057977.db2.gz NBBUFFVBOMUABV-FPOVZHCZSA-N 1 0 307.437 4.424 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)cc1OC ZINC001178594612 1049059532 /nfs/dbraw/zinc/05/95/32/1049059532.db2.gz IBNQUOCWZGCRFF-BQFCYCMXSA-N 1 0 317.473 4.422 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](COCC)C(C)C)cc1Cl ZINC001178605353 1049065290 /nfs/dbraw/zinc/06/52/90/1049065290.db2.gz IKDMVDIKQZZWBO-MRXNPFEDSA-N 1 0 311.853 4.056 20 30 DIEDRO C#CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H]1CCc2ccccc21 ZINC001204042016 1049068872 /nfs/dbraw/zinc/06/88/72/1049068872.db2.gz HIVPHIYARPFCHD-OAQYLSRUSA-N 1 0 300.405 4.291 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000775518982 1049073759 /nfs/dbraw/zinc/07/37/59/1049073759.db2.gz KKTJVTVYYWTXSA-QWHCGFSZSA-N 1 0 314.351 4.361 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc(OCCOC)c2)CCCCC1 ZINC001178724114 1049075173 /nfs/dbraw/zinc/07/51/73/1049075173.db2.gz VZFDFEMAKOHBTA-UHFFFAOYSA-N 1 0 303.446 4.080 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cccnc2Br)CCCC1 ZINC001178709222 1049079063 /nfs/dbraw/zinc/07/90/63/1049079063.db2.gz DETYSOOTPGNQNZ-UHFFFAOYSA-N 1 0 309.251 4.070 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OC)c(O[C@@H](C)CC)c2)cc1 ZINC001178758891 1049083446 /nfs/dbraw/zinc/08/34/46/1049083446.db2.gz MILYHYNCAVVREO-INIZCTEOSA-N 1 0 323.436 4.144 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](OC)[C@@H](C)CC)cc1Cl ZINC001178766842 1049084798 /nfs/dbraw/zinc/08/47/98/1049084798.db2.gz XQGHYQBWFPYFAY-SUMWQHHRSA-N 1 0 311.853 4.056 20 30 DIEDRO COc1cccc(C#N)c1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204117959 1049086491 /nfs/dbraw/zinc/08/64/91/1049086491.db2.gz AHKYRIQMLJYLRY-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO C=C(C)CC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC001178769036 1049087580 /nfs/dbraw/zinc/08/75/80/1049087580.db2.gz ISOPNYOSKDNGRX-UHFFFAOYSA-N 1 0 303.837 4.198 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC001178795335 1049089421 /nfs/dbraw/zinc/08/94/21/1049089421.db2.gz KDMDBCJARKWFJN-UHFFFAOYSA-N 1 0 301.409 4.012 20 30 DIEDRO C=CCCCCCN(C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904583104 1049092129 /nfs/dbraw/zinc/09/21/29/1049092129.db2.gz ULZKILMVCWYJJD-UHFFFAOYSA-N 1 0 303.450 4.091 20 30 DIEDRO Cc1ccc(CC2CC[NH+](CCc3ccc(C#N)cc3)CC2)cc1 ZINC001192472924 1049102384 /nfs/dbraw/zinc/10/23/84/1049102384.db2.gz ZTRXDESDORMARM-UHFFFAOYSA-N 1 0 318.464 4.364 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C2CC2)C2CCC2)ccc1OC ZINC001178868914 1049103299 /nfs/dbraw/zinc/10/32/99/1049103299.db2.gz ZHQDEKCXMQEMJZ-HXUWFJFHSA-N 1 0 315.457 4.318 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779515 1049106086 /nfs/dbraw/zinc/10/60/86/1049106086.db2.gz ZNKWRLOMOSPUAY-LPEHRKFASA-N 1 0 317.742 4.097 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC001178939893 1049111466 /nfs/dbraw/zinc/11/14/66/1049111466.db2.gz XBAGACVFELCIKT-IBGZPJMESA-N 1 0 317.436 4.149 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)c1 ZINC001178949077 1049112482 /nfs/dbraw/zinc/11/24/82/1049112482.db2.gz CWWPAXFCJKDKDZ-UHFFFAOYSA-N 1 0 303.327 4.063 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1c(OC)cccc1OC ZINC001204249588 1049121573 /nfs/dbraw/zinc/12/15/73/1049121573.db2.gz HAMRTPHJJVMTJQ-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C2CCC2)C2CCCCC2)cc1C#N ZINC001179015945 1049122646 /nfs/dbraw/zinc/12/26/46/1049122646.db2.gz RORDXJJLIMVCJT-HXUWFJFHSA-N 1 0 312.457 4.405 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857081625 1049125754 /nfs/dbraw/zinc/12/57/54/1049125754.db2.gz HGBAZQDBWHARKH-DZGCQCFKSA-N 1 0 309.240 4.109 20 30 DIEDRO Cc1cccc(C(C)(C)[NH2+]CCCOc2ccc(C#N)cc2)c1 ZINC001192682130 1049128978 /nfs/dbraw/zinc/12/89/78/1049128978.db2.gz UZPHLQUZSGNUED-UHFFFAOYSA-N 1 0 308.425 4.161 20 30 DIEDRO CC(C)(C)[PH+](CCCNC(=O)c1ccc(C#N)o1)C(C)(C)C ZINC001192691392 1049131061 /nfs/dbraw/zinc/13/10/61/1049131061.db2.gz ODYCYIYNSSDZBK-UHFFFAOYSA-N 1 0 322.389 4.350 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccn(-c3ccccc3)n2)CCCC1 ZINC001179143574 1049131734 /nfs/dbraw/zinc/13/17/34/1049131734.db2.gz ZJPZERCBCPCOQK-UHFFFAOYSA-N 1 0 309.457 4.489 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC=C)cc1OC ZINC001179143095 1049131879 /nfs/dbraw/zinc/13/18/79/1049131879.db2.gz RMOHXLYUOIRSNS-MSOLQXFVSA-N 1 0 315.457 4.485 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)cc1 ZINC001204297100 1049133013 /nfs/dbraw/zinc/13/30/13/1049133013.db2.gz ASLJSUDRUWOYGY-UHFFFAOYSA-N 1 0 307.384 4.263 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3cccc(OC)c3)C2)cc1 ZINC001204302093 1049134992 /nfs/dbraw/zinc/13/49/92/1049134992.db2.gz BCYVEGZFUOLDGU-LJQANCHMSA-N 1 0 323.436 4.250 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC)Cc2cccc(OC)c2)cc1 ZINC001204303484 1049135012 /nfs/dbraw/zinc/13/50/12/1049135012.db2.gz KLPZQYXCBACGCW-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO CC(C)([NH2+]Cc1ccc2scnc2c1)c1cccc(C#N)c1 ZINC001179139422 1049135395 /nfs/dbraw/zinc/13/53/95/1049135395.db2.gz GSRQOHCPSHRIBR-UHFFFAOYSA-N 1 0 307.422 4.193 20 30 DIEDRO CCCCCCCCOc1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC001204311502 1049138236 /nfs/dbraw/zinc/13/82/36/1049138236.db2.gz GWMNELAYZLGRPZ-LJQANCHMSA-N 1 0 319.489 4.240 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001192870492 1049141370 /nfs/dbraw/zinc/14/13/70/1049141370.db2.gz VFHHYIGSLQHFQP-CVEARBPZSA-N 1 0 312.498 4.192 20 30 DIEDRO N#CCC[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1 ZINC000775554331 1049144338 /nfs/dbraw/zinc/14/43/38/1049144338.db2.gz WVFGGGOPIJVSSP-SFHVURJKSA-N 1 0 300.352 4.142 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)ccc1OC ZINC001179228761 1049144342 /nfs/dbraw/zinc/14/43/42/1049144342.db2.gz RFGPDYIYHZXYIG-BPQIPLTHSA-N 1 0 315.457 4.176 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1C ZINC001204352553 1049146398 /nfs/dbraw/zinc/14/63/98/1049146398.db2.gz CFFQJPMLBSULOV-UHFFFAOYSA-N 1 0 304.437 4.361 20 30 DIEDRO CCCCCCCOc1ccc(C[N@H+](C)CC2COC2)cc1 ZINC001204366873 1049151109 /nfs/dbraw/zinc/15/11/09/1049151109.db2.gz ZEHRWZLWKYERRT-UHFFFAOYSA-N 1 0 305.462 4.114 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)cc1 ZINC001204368468 1049153895 /nfs/dbraw/zinc/15/38/95/1049153895.db2.gz FUEGWWKXAOKHTP-HXUWFJFHSA-N 1 0 319.489 4.240 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1F ZINC000158463822 1049155561 /nfs/dbraw/zinc/15/55/61/1049155561.db2.gz NHZHZMZCSVABPB-JTOQLSFASA-N 1 0 324.399 4.109 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)C1 ZINC001179325238 1049158212 /nfs/dbraw/zinc/15/82/12/1049158212.db2.gz QBNMLZWCMDUSCP-GOEBONIOSA-N 1 0 300.421 4.492 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCSCCC(F)(F)F)c1 ZINC001179369904 1049161171 /nfs/dbraw/zinc/16/11/71/1049161171.db2.gz OKAOIOKJOHLHRJ-UHFFFAOYSA-N 1 0 319.392 4.027 20 30 DIEDRO C=CC[N@@H+](Cc1c2cc(C)ccc2[nH]c1C(=O)OCC)C(C)C ZINC001204440950 1049162213 /nfs/dbraw/zinc/16/22/13/1049162213.db2.gz AXNTVIJVVJXSRY-UHFFFAOYSA-N 1 0 314.429 4.049 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001192976984 1049164282 /nfs/dbraw/zinc/16/42/82/1049164282.db2.gz SSMWSPSBNJLXLW-OAHLLOKOSA-N 1 0 308.432 4.305 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)cc1C#N ZINC001179448226 1049165295 /nfs/dbraw/zinc/16/52/95/1049165295.db2.gz ZKAAQYXOWPDTLW-MAUKXSAKSA-N 1 0 300.446 4.261 20 30 DIEDRO COc1ccc(C[NH2+]C/C=C\c2c(C)cc(C)cc2C)cc1C#N ZINC001179447755 1049166249 /nfs/dbraw/zinc/16/62/49/1049166249.db2.gz QJUDVJDPDSXPRO-WAYWQWQTSA-N 1 0 320.436 4.295 20 30 DIEDRO C=C/C=C/CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001179472962 1049170387 /nfs/dbraw/zinc/17/03/87/1049170387.db2.gz GSYLNUKWYSSOCU-ONEGZZNKSA-N 1 0 318.420 4.359 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1C#N ZINC001179562593 1049177467 /nfs/dbraw/zinc/17/74/67/1049177467.db2.gz HEDRRZNNWFZTSZ-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2)C1 ZINC001179559793 1049177867 /nfs/dbraw/zinc/17/78/67/1049177867.db2.gz VXJPTVKLFFVKSI-IUODEOHRSA-N 1 0 324.262 4.292 20 30 DIEDRO C=C1CCC(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001179542291 1049179258 /nfs/dbraw/zinc/17/92/58/1049179258.db2.gz YRELNXLKCRLSRS-HXUWFJFHSA-N 1 0 312.501 4.376 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCC1 ZINC001179652260 1049187677 /nfs/dbraw/zinc/18/76/77/1049187677.db2.gz UYVSCOOVSVFIPB-UHFFFAOYSA-N 1 0 310.372 4.049 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]2C)c1 ZINC001179626690 1049190738 /nfs/dbraw/zinc/19/07/38/1049190738.db2.gz LJMRUINCCLXYGG-FXAWDEMLSA-N 1 0 318.505 4.218 20 30 DIEDRO C#CCC1([NH2+]Cc2cc3cc(Cl)cnc3o2)CCCCC1 ZINC001179662722 1049195862 /nfs/dbraw/zinc/19/58/62/1049195862.db2.gz UNPVXCPEYZHSQF-UHFFFAOYSA-N 1 0 302.805 4.297 20 30 DIEDRO Cc1cccc([C@H]2CC[N@H+](Cc3c(C)cc(C#N)cc3C)C2)c1 ZINC001193324537 1049197314 /nfs/dbraw/zinc/19/73/14/1049197314.db2.gz OWLFMDQMWWRINK-FQEVSTJZSA-N 1 0 304.437 4.473 20 30 DIEDRO Cc1cccc([C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001193325119 1049197614 /nfs/dbraw/zinc/19/76/14/1049197614.db2.gz ZWBHGTDKBMSUAI-IBGZPJMESA-N 1 0 309.840 4.489 20 30 DIEDRO CCCCCCC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001193447754 1049207135 /nfs/dbraw/zinc/20/71/35/1049207135.db2.gz GJBUSTSUAJWQRB-UHFFFAOYSA-N 1 0 312.498 4.336 20 30 DIEDRO Fc1ccc(C#CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001193495755 1049216025 /nfs/dbraw/zinc/21/60/25/1049216025.db2.gz CKUVBJPKJNBSSE-FPOVZHCZSA-N 1 0 307.412 4.178 20 30 DIEDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001193508797 1049219318 /nfs/dbraw/zinc/21/93/18/1049219318.db2.gz SBYIWKDFGJQJET-AWEZNQCLSA-N 1 0 310.363 4.445 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2cccc(C#N)n2)cc1 ZINC001179877941 1049225034 /nfs/dbraw/zinc/22/50/34/1049225034.db2.gz KPHYPETVOYBZTM-WOJBJXKFSA-N 1 0 305.425 4.030 20 30 DIEDRO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cnc1F ZINC001204697134 1049230328 /nfs/dbraw/zinc/23/03/28/1049230328.db2.gz LPKCMUNZVHLZGV-UHFFFAOYSA-N 1 0 311.404 4.059 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2cc(F)c(F)cc2C#N)cc1 ZINC001204706042 1049234312 /nfs/dbraw/zinc/23/43/12/1049234312.db2.gz RCWXAIUUKKGGMN-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(C#N)cc2C#N)cc1 ZINC001204706610 1049234409 /nfs/dbraw/zinc/23/44/09/1049234409.db2.gz YIJYBOWCWCCJGD-UHFFFAOYSA-N 1 0 304.397 4.062 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001179951500 1049236446 /nfs/dbraw/zinc/23/64/46/1049236446.db2.gz KENKUIJNSOQPIB-MISYRCLQSA-N 1 0 314.473 4.295 20 30 DIEDRO N#CC1(c2ccc(C[N@H+](Cc3ccccc3)C3CC3)cc2)CC1 ZINC001179904047 1049238272 /nfs/dbraw/zinc/23/82/72/1049238272.db2.gz BGMJDZLTIYLPHK-UHFFFAOYSA-N 1 0 302.421 4.406 20 30 DIEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001193649506 1049241261 /nfs/dbraw/zinc/24/12/61/1049241261.db2.gz RRTVWIJDPGETHG-HKUYNNGSSA-N 1 0 300.446 4.276 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)n1 ZINC001179973550 1049241657 /nfs/dbraw/zinc/24/16/57/1049241657.db2.gz CFLGQZAAWKWDES-ARKBFRDHSA-N 1 0 317.436 4.411 20 30 DIEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2cc(C#N)ccn2)C1 ZINC001193743457 1049251681 /nfs/dbraw/zinc/25/16/81/1049251681.db2.gz OOLXTROHVHSFDD-LJQANCHMSA-N 1 0 305.425 4.147 20 30 DIEDRO CC[N@H+](Cc1ccnn1CC1CCC1)[C@H](C)c1ccc(C#N)cc1 ZINC001204763029 1049257250 /nfs/dbraw/zinc/25/72/50/1049257250.db2.gz HWQBOAGAXWKJBD-MRXNPFEDSA-N 1 0 322.456 4.138 20 30 DIEDRO CCCOc1ccc(C(C)(C)[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC001193753613 1049260037 /nfs/dbraw/zinc/26/00/37/1049260037.db2.gz JGRDVGLORJNALA-UHFFFAOYSA-N 1 0 322.452 4.414 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000858484649 1049263547 /nfs/dbraw/zinc/26/35/47/1049263547.db2.gz XFENWBIZONEIRS-MGPUTAFESA-N 1 0 321.424 4.176 20 30 DIEDRO CC(C)(COCc1ccccc1)[NH2+]CCC1(C#N)CCCCC1 ZINC001193798082 1049264292 /nfs/dbraw/zinc/26/42/92/1049264292.db2.gz PWODOVLBRIXUSS-UHFFFAOYSA-N 1 0 314.473 4.436 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)C1 ZINC001203187662 1049268405 /nfs/dbraw/zinc/26/84/05/1049268405.db2.gz MIWJHBFMIKOZGN-NJAFHUGGSA-N 1 0 307.441 4.194 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cn(C(F)F)c3ccccc23)C1 ZINC000858538874 1049270235 /nfs/dbraw/zinc/27/02/35/1049270235.db2.gz PWZBECFXRBBSTB-GXTWGEPZSA-N 1 0 303.356 4.208 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)ccc1C#N ZINC001180067881 1049271126 /nfs/dbraw/zinc/27/11/26/1049271126.db2.gz GYUMXVNMKOYJOA-FQEVSTJZSA-N 1 0 320.436 4.082 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)cc2OC)cc1 ZINC001204827879 1049278015 /nfs/dbraw/zinc/27/80/15/1049278015.db2.gz KONSVYPXMVBWOE-FQEVSTJZSA-N 1 0 323.436 4.177 20 30 DIEDRO CC[N@H+](Cc1csc(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC001204826448 1049278239 /nfs/dbraw/zinc/27/82/39/1049278239.db2.gz KJYVWANDHLDXCB-ZDUSSCGKSA-N 1 0 300.427 4.211 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H]3CCc4ccccc43)CC2)cc1 ZINC001180132397 1049279451 /nfs/dbraw/zinc/27/94/51/1049279451.db2.gz DISJWSGYBXRXRX-NRFANRHFSA-N 1 0 314.432 4.377 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@H]2CCCC[C@H]2C(=O)OC)CCCC1(C)C ZINC001193919528 1049281348 /nfs/dbraw/zinc/28/13/48/1049281348.db2.gz ANUCYOPZECBFFM-ZACQAIPSSA-N 1 0 307.478 4.033 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ccc(Cl)cc31)CC2 ZINC000858582032 1049281399 /nfs/dbraw/zinc/28/13/99/1049281399.db2.gz LLMLEVXJESFWNS-MOPGFXCFSA-N 1 0 308.812 4.476 20 30 DIEDRO CCCCCCCOC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC001194013046 1049298439 /nfs/dbraw/zinc/29/84/39/1049298439.db2.gz MGHUSKOSOMYBPD-INIZCTEOSA-N 1 0 300.487 4.194 20 30 DIEDRO CCCCCCCOC(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC001194020155 1049301228 /nfs/dbraw/zinc/30/12/28/1049301228.db2.gz YOTKVMNXFLNIEJ-UHFFFAOYSA-N 1 0 312.498 4.051 20 30 DIEDRO CCCCCCCOC(=O)NC1CCC([NH+](CC)CC)CC1 ZINC001194019987 1049301256 /nfs/dbraw/zinc/30/12/56/1049301256.db2.gz WYROZPMICZSYDT-UHFFFAOYSA-N 1 0 312.498 4.336 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204893422 1049303582 /nfs/dbraw/zinc/30/35/82/1049303582.db2.gz FWWNYZDXRZWRGH-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c(F)c1 ZINC001204929011 1049311620 /nfs/dbraw/zinc/31/16/20/1049311620.db2.gz WFIINEPNNSTBEN-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC001204937779 1049317362 /nfs/dbraw/zinc/31/73/62/1049317362.db2.gz NUKKKMVGHYLZDU-INIZCTEOSA-N 1 0 318.461 4.482 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc2ncsc2c1 ZINC000485704242 1049317973 /nfs/dbraw/zinc/31/79/73/1049317973.db2.gz VYJAHEYDZZZUMM-NSHDSACASA-N 1 0 311.385 4.158 20 30 DIEDRO CCCCCCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC001194116370 1049321143 /nfs/dbraw/zinc/32/11/43/1049321143.db2.gz QBCYJPMPSKGCMH-DLBZAZTESA-N 1 0 307.503 4.458 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000485722554 1049326239 /nfs/dbraw/zinc/32/62/39/1049326239.db2.gz CYCFINQWWIRICV-OAHLLOKOSA-N 1 0 322.305 4.133 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)o1 ZINC000485731096 1049328916 /nfs/dbraw/zinc/32/89/16/1049328916.db2.gz TXSXUJSTIGGHDU-AQNXPRMDSA-N 1 0 306.409 4.309 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cccc(F)c1C#N ZINC001205007071 1049339640 /nfs/dbraw/zinc/33/96/40/1049339640.db2.gz FAKPOFLJYCDTGC-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(C)cc1OC)[C@@H]1CCc2ccccc21 ZINC001180297499 1049340740 /nfs/dbraw/zinc/34/07/40/1049340740.db2.gz YXMIHPDHYAXMIT-HXUWFJFHSA-N 1 0 305.421 4.126 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@@H]2CCc3ccccc32)C2CC2)cc1 ZINC001180321835 1049342071 /nfs/dbraw/zinc/34/20/71/1049342071.db2.gz AZVPRGWSEWHFBK-IBGZPJMESA-N 1 0 302.421 4.253 20 30 DIEDRO C=CCC1([NH2+][C@@H](C)CCc2ccc(Cl)s2)CCOCC1 ZINC000668551801 1049342691 /nfs/dbraw/zinc/34/26/91/1049342691.db2.gz XMWDHRUPBCTUBY-ZDUSSCGKSA-N 1 0 313.894 4.438 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485821676 1049348079 /nfs/dbraw/zinc/34/80/79/1049348079.db2.gz LAIOUGHQTWVVOA-GFCCVEGCSA-N 1 0 323.421 4.027 20 30 DIEDRO C=C(C)C[N@@H+](CCOCC1CCCC1)Cc1cnn(C(C)C)c1 ZINC001194269967 1049353763 /nfs/dbraw/zinc/35/37/63/1049353763.db2.gz UEBQMKBKWTUTCD-UHFFFAOYSA-N 1 0 319.493 4.049 20 30 DIEDRO N#CCSCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485885989 1049360598 /nfs/dbraw/zinc/36/05/98/1049360598.db2.gz XYAJRHVZZJUIRW-QRVBRYPASA-N 1 0 314.498 4.291 20 30 DIEDRO C#CCCCCCC[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC001194394369 1049367727 /nfs/dbraw/zinc/36/77/27/1049367727.db2.gz UCJCPSKTIZMXHK-HXUWFJFHSA-N 1 0 312.501 4.024 20 30 DIEDRO Cc1cc(C[N@H+](C)CCOc2ccccc2Cl)ccc1C#N ZINC001205109184 1049380166 /nfs/dbraw/zinc/38/01/66/1049380166.db2.gz YCBJKTODAYMQDR-UHFFFAOYSA-N 1 0 314.816 4.031 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)ccc1C#N ZINC001205193769 1049409394 /nfs/dbraw/zinc/40/93/94/1049409394.db2.gz YDNFLXRQNOESMQ-LJQANCHMSA-N 1 0 306.409 4.212 20 30 DIEDRO CC[C@@H](C#N)c1ccc(-c2ccc(OCCC[NH+](C)C)nc2)cc1 ZINC001205239161 1049414368 /nfs/dbraw/zinc/41/43/68/1049414368.db2.gz DGEFCRNWHXYURM-INIZCTEOSA-N 1 0 323.440 4.096 20 30 DIEDRO CCCCCCCCOC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001194751998 1049417348 /nfs/dbraw/zinc/41/73/48/1049417348.db2.gz ANLNXCSLJKGCMI-UHFFFAOYSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCCOC(=O)NCCCC[NH+](CC)CC ZINC001194747253 1049417879 /nfs/dbraw/zinc/41/78/79/1049417879.db2.gz BCZZLKXYDWXFCC-UHFFFAOYSA-N 1 0 300.487 4.195 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC001180928220 1049419911 /nfs/dbraw/zinc/41/99/11/1049419911.db2.gz WURFNDKFULTWQU-NEPJUHHUSA-N 1 0 312.251 4.463 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC001180928223 1049420038 /nfs/dbraw/zinc/42/00/38/1049420038.db2.gz WURFNDKFULTWQU-RYUDHWBXSA-N 1 0 312.251 4.463 20 30 DIEDRO CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC001194715562 1049420739 /nfs/dbraw/zinc/42/07/39/1049420739.db2.gz RNALCGHZBJMFOK-AHRSYUTCSA-N 1 0 314.473 4.272 20 30 DIEDRO N#CC1CCC([NH2+]CC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC001181042872 1049429792 /nfs/dbraw/zinc/42/97/92/1049429792.db2.gz IMEHCFARYFTHOQ-UHFFFAOYSA-N 1 0 318.411 4.449 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000775613860 1049430196 /nfs/dbraw/zinc/43/01/96/1049430196.db2.gz VNURBQKXKUUWPX-QGZVFWFLSA-N 1 0 301.455 4.250 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H]2C ZINC001205353910 1049447208 /nfs/dbraw/zinc/44/72/08/1049447208.db2.gz PFZCBUCGFYPYJP-JKSUJKDBSA-N 1 0 320.436 4.383 20 30 DIEDRO CC[N@@H+](Cc1ccccc1Br)C[C@@H](C)CCC#N ZINC001181162253 1049448211 /nfs/dbraw/zinc/44/82/11/1049448211.db2.gz FTDCEWBSFSMRFX-ZDUSSCGKSA-N 1 0 309.251 4.211 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC001194922615 1049448854 /nfs/dbraw/zinc/44/88/54/1049448854.db2.gz ZFEYTDLVMXHWJZ-HNNXBMFYSA-N 1 0 309.251 4.337 20 30 DIEDRO CCCCCCCCCCOC(=O)NCC12CC[NH+](CC1)CC2 ZINC001194929084 1049450298 /nfs/dbraw/zinc/45/02/98/1049450298.db2.gz OPNOPCLLODXRIH-UHFFFAOYSA-N 1 0 324.509 4.339 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C1CC1 ZINC001205390557 1049457392 /nfs/dbraw/zinc/45/73/92/1049457392.db2.gz AESLCXNPQAIXOD-YCRPNKLZSA-N 1 0 320.436 4.301 20 30 DIEDRO C=CC[C@H](CC)[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001181267923 1049458530 /nfs/dbraw/zinc/45/85/30/1049458530.db2.gz WOKZNDRPWIHHCX-HNNXBMFYSA-N 1 0 322.493 4.110 20 30 DIEDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000486708664 1049459055 /nfs/dbraw/zinc/45/90/55/1049459055.db2.gz JWAUJFQAEYHEIB-UHFFFAOYSA-N 1 0 322.452 4.296 20 30 DIEDRO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000777218677 1049461099 /nfs/dbraw/zinc/46/10/99/1049461099.db2.gz FMDBBVKQGGEAOI-QGZVFWFLSA-N 1 0 320.436 4.153 20 30 DIEDRO C=CCCCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC001205471584 1049479612 /nfs/dbraw/zinc/47/96/12/1049479612.db2.gz OCTNRMKDOJIOCK-AWEZNQCLSA-N 1 0 308.263 4.252 20 30 DIEDRO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC001205479216 1049480912 /nfs/dbraw/zinc/48/09/12/1049480912.db2.gz WEBCESUYRFNPCG-FQEVSTJZSA-N 1 0 324.399 4.433 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001205493892 1049486170 /nfs/dbraw/zinc/48/61/70/1049486170.db2.gz YPDZJBWJGFNBPL-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(F)c(C#N)c1 ZINC001205493665 1049486314 /nfs/dbraw/zinc/48/63/14/1049486314.db2.gz IHCOWMALNUNSNQ-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(N(C)C)cc1 ZINC000777249195 1049488272 /nfs/dbraw/zinc/48/82/72/1049488272.db2.gz JNYCBAUEJMFSPC-HXUWFJFHSA-N 1 0 319.452 4.354 20 30 DIEDRO C#C[C@H]([NH2+][C@H](CC)CCc1ccc(Br)cc1)C(C)C ZINC001181578173 1049492092 /nfs/dbraw/zinc/49/20/92/1049492092.db2.gz XXIVBAYOBUYOQY-SJORKVTESA-N 1 0 322.290 4.408 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC001181598729 1049493455 /nfs/dbraw/zinc/49/34/55/1049493455.db2.gz GKIKKNYHABVGGF-CYBMUJFWSA-N 1 0 303.837 4.213 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2cc(C)cc(OC)c2O)CCCC1(C)C ZINC001205568203 1049499198 /nfs/dbraw/zinc/49/91/98/1049499198.db2.gz GOODBIOPJBLGAH-KRWDZBQOSA-N 1 0 303.446 4.276 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001205575217 1049501292 /nfs/dbraw/zinc/50/12/92/1049501292.db2.gz SLHQDNOLVPOGNY-NRFANRHFSA-N 1 0 319.452 4.026 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC001181674235 1049502658 /nfs/dbraw/zinc/50/26/58/1049502658.db2.gz OTVACIGGTBRSJJ-LBPRGKRZSA-N 1 0 310.388 4.040 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC001205575519 1049502782 /nfs/dbraw/zinc/50/27/82/1049502782.db2.gz PSKSVDTURCMYIW-XJKSGUPXSA-N 1 0 314.256 4.107 20 30 DIEDRO C[C@@H]([C@H](OCc1ccccc1C#N)c1ccccc1)[NH+]1CCCC1 ZINC001205580031 1049503099 /nfs/dbraw/zinc/50/30/99/1049503099.db2.gz UCIXILUMTLVFJM-UWJYYQICSA-N 1 0 320.436 4.300 20 30 DIEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC001195248593 1049503185 /nfs/dbraw/zinc/50/31/85/1049503185.db2.gz BDEGVDLMLBMYDC-SFHVURJKSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H]([C@H](OCc1cccc(C#N)c1)c1ccccc1)[NH+]1CCCC1 ZINC001205590168 1049504187 /nfs/dbraw/zinc/50/41/87/1049504187.db2.gz XIIZNBNXMAFQBX-UWJYYQICSA-N 1 0 320.436 4.300 20 30 DIEDRO C#CC[N@H+](Cc1ccc2[nH]ccc2c1)[C@@H]1CCc2ccccc21 ZINC001205593733 1049506257 /nfs/dbraw/zinc/50/62/57/1049506257.db2.gz JEAFOCNQPYXFGF-OAQYLSRUSA-N 1 0 300.405 4.291 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC001205594817 1049506853 /nfs/dbraw/zinc/50/68/53/1049506853.db2.gz ZNCKAEIAQWIAFU-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001195278924 1049508140 /nfs/dbraw/zinc/50/81/40/1049508140.db2.gz LMAORHSCWOBJCT-RTBURBONSA-N 1 0 314.473 4.474 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCCC[C@H]1CC ZINC001181697605 1049508778 /nfs/dbraw/zinc/50/87/78/1049508778.db2.gz LKGWXSBUXMLCNB-SJORKVTESA-N 1 0 305.462 4.366 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(OC(F)F)c1 ZINC000093492361 1049509049 /nfs/dbraw/zinc/50/90/49/1049509049.db2.gz STJVTTNNJQCZDF-SNVBAGLBSA-N 1 0 308.353 4.072 20 30 DIEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC001195368578 1049521174 /nfs/dbraw/zinc/52/11/74/1049521174.db2.gz YEKRGBCDJILRLP-ZBFHGGJFSA-N 1 0 310.363 4.262 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC001195463195 1049529281 /nfs/dbraw/zinc/52/92/81/1049529281.db2.gz JABGUZNQKISRBZ-KGLIPLIRSA-N 1 0 306.247 4.245 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC001195463196 1049529691 /nfs/dbraw/zinc/52/96/91/1049529691.db2.gz JABGUZNQKISRBZ-UONOGXRCSA-N 1 0 306.247 4.245 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1)C(C)C ZINC001205714149 1049541961 /nfs/dbraw/zinc/54/19/61/1049541961.db2.gz TWKKCVSNRZFRDR-XOKHGSTOSA-N 1 0 309.375 4.378 20 30 DIEDRO C#C[C@H](CC)[NH2+][C@@H](CC)CCc1ccc(Br)cc1 ZINC001205713592 1049541643 /nfs/dbraw/zinc/54/16/43/1049541643.db2.gz DLJZOUJCQXNXPM-CVEARBPZSA-N 1 0 308.263 4.162 20 30 DIEDRO C#C[C@@H](CC)[NH2+][C@@H](CC)CCc1ccc(Br)cc1 ZINC001205713593 1049542124 /nfs/dbraw/zinc/54/21/24/1049542124.db2.gz DLJZOUJCQXNXPM-HOTGVXAUSA-N 1 0 308.263 4.162 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CCCC(C)(C)C1 ZINC001205751811 1049552643 /nfs/dbraw/zinc/55/26/43/1049552643.db2.gz DEXMSJFGTZNDCH-INIZCTEOSA-N 1 0 305.462 4.366 20 30 DIEDRO C=CCC1(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)CCCC1 ZINC001205788195 1049564296 /nfs/dbraw/zinc/56/42/96/1049564296.db2.gz BBXLVBJCCHZBLL-MRXNPFEDSA-N 1 0 317.473 4.361 20 30 DIEDRO C#C[C@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)c1ccc(F)cc1 ZINC001182020952 1049564624 /nfs/dbraw/zinc/56/46/24/1049564624.db2.gz RFVRULFNGJWUSD-FPCQFERPSA-N 1 0 315.338 4.314 20 30 DIEDRO C=CCCn1cc(C[N@@H+](CCCC)[C@@H]2CCC[C@@H](C)C2)nn1 ZINC001182072525 1049569582 /nfs/dbraw/zinc/56/95/82/1049569582.db2.gz PYXHIDKDIVHFBE-SJLPKXTDSA-N 1 0 304.482 4.035 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccc(Cl)cc1 ZINC001182152818 1049579774 /nfs/dbraw/zinc/57/97/74/1049579774.db2.gz TVORBEQYHAEJQC-MRXNPFEDSA-N 1 0 320.219 4.472 20 30 DIEDRO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCC[C@H]1C ZINC000487988827 1049590327 /nfs/dbraw/zinc/59/03/27/1049590327.db2.gz OBZOIBFZVXBJQN-APWZRJJASA-N 1 0 314.473 4.125 20 30 DIEDRO C#CCCCCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000119618606 1049591436 /nfs/dbraw/zinc/59/14/36/1049591436.db2.gz VYRYZSLOIYWSLO-KRWDZBQOSA-N 1 0 312.457 4.193 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC001195947775 1049598252 /nfs/dbraw/zinc/59/82/52/1049598252.db2.gz XQTXCFQCKLACLJ-HNNXBMFYSA-N 1 0 313.363 4.416 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001195947028 1049598505 /nfs/dbraw/zinc/59/85/05/1049598505.db2.gz PSRZAEVNUDZSAF-BBRMVZONSA-N 1 0 313.363 4.027 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)cc1 ZINC001205917408 1049601958 /nfs/dbraw/zinc/60/19/58/1049601958.db2.gz KTUDCGPTBPDKCV-HNNXBMFYSA-N 1 0 313.828 4.073 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC#N)[C@@H](C)C1 ZINC000775682840 1049602547 /nfs/dbraw/zinc/60/25/47/1049602547.db2.gz MPYZFDWWQXWGRJ-DVOMOZLQSA-N 1 0 306.837 4.157 20 30 DIEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001196023090 1049603954 /nfs/dbraw/zinc/60/39/54/1049603954.db2.gz QQCFLDLZXYKTID-WMZOPIPTSA-N 1 0 307.865 4.064 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC001196056152 1049605941 /nfs/dbraw/zinc/60/59/41/1049605941.db2.gz JFYHLWCKOXTUOB-UKRRQHHQSA-N 1 0 323.383 4.275 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC001196055747 1049606438 /nfs/dbraw/zinc/60/64/38/1049606438.db2.gz GZTWDAIPYXBGJZ-ZWKOTPCHSA-N 1 0 307.441 4.368 20 30 DIEDRO CCCCCCCC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)OC)C1 ZINC001196065160 1049607991 /nfs/dbraw/zinc/60/79/91/1049607991.db2.gz RYGVJAXQCCGBBF-UONOGXRCSA-N 1 0 323.399 4.020 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccc(F)cc1 ZINC001205974870 1049616821 /nfs/dbraw/zinc/61/68/21/1049616821.db2.gz VVHAOUYQDDSHRO-BBWFWOEESA-N 1 0 303.421 4.072 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000488259657 1049620287 /nfs/dbraw/zinc/62/02/87/1049620287.db2.gz FPQGAYZXSQFVAZ-CQSZACIVSA-N 1 0 315.383 4.285 20 30 DIEDRO C[N@H+](CCSCc1cccc(F)c1C#N)Cc1ccccc1 ZINC000488265160 1049621681 /nfs/dbraw/zinc/62/16/81/1049621681.db2.gz LHHFBQPRGMVWMP-UHFFFAOYSA-N 1 0 314.429 4.063 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CC=C(C)CC1)c1ccc(Br)cc1 ZINC001205988665 1049621912 /nfs/dbraw/zinc/62/19/12/1049621912.db2.gz HUUGGKGOZZVHPN-HOTGVXAUSA-N 1 0 304.231 4.212 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC001182325693 1049626371 /nfs/dbraw/zinc/62/63/71/1049626371.db2.gz CGYIWWQOODRLLV-PXNSSMCTSA-N 1 0 309.453 4.490 20 30 DIEDRO C=CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC001196199370 1049628209 /nfs/dbraw/zinc/62/82/09/1049628209.db2.gz ZYDOPRUOYHTCQE-UHFFFAOYSA-N 1 0 311.347 4.223 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(C)oc2C)c1 ZINC000774243520 1049636533 /nfs/dbraw/zinc/63/65/33/1049636533.db2.gz LIPSQXXLTQXTRI-RHSMWYFYSA-N 1 0 312.413 4.428 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000774265852 1049639962 /nfs/dbraw/zinc/63/99/62/1049639962.db2.gz JLMRMMVRWHVBDO-WOJBJXKFSA-N 1 0 320.392 4.326 20 30 DIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CCCC(C)(C)C1 ZINC001206069307 1049647301 /nfs/dbraw/zinc/64/73/01/1049647301.db2.gz DZEVWICJZHOPJN-LJQANCHMSA-N 1 0 314.473 4.223 20 30 DIEDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000794604600 1049647552 /nfs/dbraw/zinc/64/75/52/1049647552.db2.gz PAIPXZSJPRUACW-HOCLYGCPSA-N 1 0 324.877 4.006 20 30 DIEDRO CC[C@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C#N)cc1 ZINC000774341474 1049651060 /nfs/dbraw/zinc/65/10/60/1049651060.db2.gz AVXWQFBQMCJGCZ-IBGZPJMESA-N 1 0 311.404 4.322 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(C)c3ccccc23)no1 ZINC001206094935 1049651388 /nfs/dbraw/zinc/65/13/88/1049651388.db2.gz ZXIFHFQUIWXSSQ-UHFFFAOYSA-N 1 0 319.408 4.307 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001196442230 1049652598 /nfs/dbraw/zinc/65/25/98/1049652598.db2.gz POSOZDLOYNTIKU-HNNXBMFYSA-N 1 0 301.430 4.040 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC001196442634 1049652967 /nfs/dbraw/zinc/65/29/67/1049652967.db2.gz SEWMRGNDVKSGSS-GOSISDBHSA-N 1 0 311.473 4.413 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2cn(C(C)C)nc21)c1ccc(C#N)cc1 ZINC000774352181 1049657123 /nfs/dbraw/zinc/65/71/23/1049657123.db2.gz ZWFHPIVSAICETC-OALUTQOASA-N 1 0 322.456 4.454 20 30 DIEDRO CC(C)CC1(C)CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC001206136963 1049665289 /nfs/dbraw/zinc/66/52/89/1049665289.db2.gz WAJLNFLLRTXRCS-UHFFFAOYSA-N 1 0 313.489 4.272 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)c1ccc(F)c(F)c1 ZINC000775725957 1049670091 /nfs/dbraw/zinc/67/00/91/1049670091.db2.gz XVOYDCDJTLRGPM-RTBURBONSA-N 1 0 317.379 4.214 20 30 DIEDRO CC(C)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000794693891 1049671404 /nfs/dbraw/zinc/67/14/04/1049671404.db2.gz WXSRAEJAJGHLPB-OXJNMPFZSA-N 1 0 308.425 4.063 20 30 DIEDRO CC(C)c1ccccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001196623189 1049676397 /nfs/dbraw/zinc/67/63/97/1049676397.db2.gz OGADPNQTJYOZMZ-UHFFFAOYSA-N 1 0 304.437 4.434 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(-c2ccco2)s1 ZINC001182498659 1049679196 /nfs/dbraw/zinc/67/91/96/1049679196.db2.gz KEGKDOJZAHWVGW-CYBMUJFWSA-N 1 0 323.421 4.468 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001182491219 1049683066 /nfs/dbraw/zinc/68/30/66/1049683066.db2.gz VOGHAKDEYJHGEE-KKUMJFAQSA-N 1 0 310.482 4.013 20 30 DIEDRO CC[C@H](c1ccc(Br)cc1)[N@H+](CC)C[C@@H](C)C#N ZINC000488646843 1049684755 /nfs/dbraw/zinc/68/47/55/1049684755.db2.gz YMYZFCDMNNRIIG-SWLSCSKDSA-N 1 0 309.251 4.382 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC001182574281 1049687457 /nfs/dbraw/zinc/68/74/57/1049687457.db2.gz MJJVAZCQMHWHHI-LEWJYISDSA-N 1 0 304.437 4.353 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)o1 ZINC001206262939 1049692793 /nfs/dbraw/zinc/69/27/93/1049692793.db2.gz FVKGXIUTVRYVJJ-AWEZNQCLSA-N 1 0 320.230 4.319 20 30 DIEDRO C=C[C@H]1CCCCN1C(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC000488858882 1049706805 /nfs/dbraw/zinc/70/68/05/1049706805.db2.gz CWBMPUAMYWURSM-IBGZPJMESA-N 1 0 314.473 4.099 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000774541370 1049710762 /nfs/dbraw/zinc/71/07/62/1049710762.db2.gz NKOZVOXOJSOTIR-OAHLLOKOSA-N 1 0 310.482 4.063 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(Cl)cc1O ZINC001206320893 1049712548 /nfs/dbraw/zinc/71/25/48/1049712548.db2.gz OOMAWNOSHPQJRU-QGZVFWFLSA-N 1 0 312.800 4.084 20 30 DIEDRO Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)ccc1C#N ZINC000488974929 1049715586 /nfs/dbraw/zinc/71/55/86/1049715586.db2.gz WFPVYBMCUBDUKY-OAHLLOKOSA-N 1 0 310.363 4.277 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC001206358961 1049719813 /nfs/dbraw/zinc/71/98/13/1049719813.db2.gz YRIMZTFPKJYCKF-DKKFBQAASA-N 1 0 319.876 4.232 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)cc1C#N ZINC001197078253 1049720238 /nfs/dbraw/zinc/72/02/38/1049720238.db2.gz TXTMOJNKQOKSKF-HXUWFJFHSA-N 1 0 308.400 4.328 20 30 DIEDRO CCCCCCCC[NH+]1CCN(Cc2cccc(OC)c2)CC1 ZINC001197078579 1049720430 /nfs/dbraw/zinc/72/04/30/1049720430.db2.gz YAHQCSHREDFKGW-UHFFFAOYSA-N 1 0 318.505 4.173 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)[C@@H]1CCc2cc(Cl)ccc21 ZINC001197117225 1049723564 /nfs/dbraw/zinc/72/35/64/1049723564.db2.gz ZHVMFHQAJKIEOQ-LJQANCHMSA-N 1 0 310.828 4.373 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)[C@H]1CCc2cc(Cl)ccc21 ZINC001197117221 1049724054 /nfs/dbraw/zinc/72/40/54/1049724054.db2.gz ZHVMFHQAJKIEOQ-IBGZPJMESA-N 1 0 310.828 4.373 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197219881 1049728957 /nfs/dbraw/zinc/72/89/57/1049728957.db2.gz CPARJUQOFKJFDA-BEFAXECRSA-N 1 0 324.509 4.214 20 30 DIEDRO C#CC[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC001206408687 1049729345 /nfs/dbraw/zinc/72/93/45/1049729345.db2.gz GAIJTUQEBUKNKE-QGZVFWFLSA-N 1 0 306.409 4.109 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC001206411602 1049730600 /nfs/dbraw/zinc/73/06/00/1049730600.db2.gz YEAMCCBWXZPFGH-CQSZACIVSA-N 1 0 315.363 4.460 20 30 DIEDRO CC(C)(C)[C@H]1CSCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001197295795 1049734775 /nfs/dbraw/zinc/73/47/75/1049734775.db2.gz HYSFAPSRIJYEEK-MRXNPFEDSA-N 1 0 307.890 4.155 20 30 DIEDRO CC(C)C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000028963583 1049759204 /nfs/dbraw/zinc/75/92/04/1049759204.db2.gz RPYLQJFMOZRCOW-UHFFFAOYSA-N 1 0 303.409 4.088 20 30 DIEDRO N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)C2CCCC2)cc1 ZINC000028974268 1049761816 /nfs/dbraw/zinc/76/18/16/1049761816.db2.gz VFNUPZZJJBEETF-UHFFFAOYSA-N 1 0 315.420 4.375 20 30 DIEDRO CCN(Cc1ccc(Cl)cc1)Cc1ccc(F)cc1C#N ZINC000489658475 1049774095 /nfs/dbraw/zinc/77/40/95/1049774095.db2.gz JMAPXJIJNSGEAV-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO C=CCC1([NH2+]Cc2c(C(C)C)nc3sc(C)nn23)CCCC1 ZINC001206680912 1049778436 /nfs/dbraw/zinc/77/84/36/1049778436.db2.gz XIGBAZSSSLIGRJ-UHFFFAOYSA-N 1 0 318.490 4.201 20 30 DIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000490062086 1049796627 /nfs/dbraw/zinc/79/66/27/1049796627.db2.gz ZBRAUBSYPWYFBW-GOSISDBHSA-N 1 0 314.816 4.031 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001206777927 1049797639 /nfs/dbraw/zinc/79/76/39/1049797639.db2.gz XEBRNLUXNFFOEX-WBVHZDCISA-N 1 0 316.445 4.498 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001206777925 1049798249 /nfs/dbraw/zinc/79/82/49/1049798249.db2.gz XEBRNLUXNFFOEX-NVXWUHKLSA-N 1 0 316.445 4.498 20 30 DIEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001207036325 1049823509 /nfs/dbraw/zinc/82/35/09/1049823509.db2.gz XIEHNUJXSAHMPI-UXHICEINSA-N 1 0 311.473 4.085 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccccc2OCc2ccccc2)C1 ZINC001207049680 1049825956 /nfs/dbraw/zinc/82/59/56/1049825956.db2.gz MKZREKRGKCAFSN-ICSRJNTNSA-N 1 0 320.436 4.090 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC001207195782 1049859309 /nfs/dbraw/zinc/85/93/09/1049859309.db2.gz DCXIIXIXNKOEJQ-ZDUSSCGKSA-N 1 0 311.267 4.459 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207194670 1049860872 /nfs/dbraw/zinc/86/08/72/1049860872.db2.gz YNXSKHXHSDRVIG-SAZZBMJHSA-N 1 0 300.833 4.210 20 30 DIEDRO C=CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001207213492 1049862516 /nfs/dbraw/zinc/86/25/16/1049862516.db2.gz FLWZRGZNCMNAGB-INIZCTEOSA-N 1 0 322.493 4.064 20 30 DIEDRO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001207244150 1049868649 /nfs/dbraw/zinc/86/86/49/1049868649.db2.gz YKILISZLQNHPFU-RTWAWAEBSA-N 1 0 304.437 4.026 20 30 DIEDRO CC(C)(C[N@@H+]1CC[C@@](C)(C#N)C1)Sc1ccc(Cl)cc1 ZINC001207298671 1049877564 /nfs/dbraw/zinc/87/75/64/1049877564.db2.gz ARYAJGFDUQAUSR-INIZCTEOSA-N 1 0 308.878 4.446 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000491041929 1049881557 /nfs/dbraw/zinc/88/15/57/1049881557.db2.gz VFLLUUGXKSXMHO-QFIPXVFZSA-N 1 0 320.480 4.324 20 30 DIEDRO C=CCCC[C@H]([NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1)c1ccccc1 ZINC001207342052 1049882719 /nfs/dbraw/zinc/88/27/19/1049882719.db2.gz WMFJKRDABKGUAZ-SXLOBPIMSA-N 1 0 309.457 4.211 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CC(c2ccc(C)c(C)c2)=NO1 ZINC001207391111 1049886552 /nfs/dbraw/zinc/88/65/52/1049886552.db2.gz FMSGZOXMBHRVAR-ROUUACIJSA-N 1 0 300.446 4.131 20 30 DIEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586779761 1049899184 /nfs/dbraw/zinc/89/91/84/1049899184.db2.gz ZAKLCGQILRPVJP-QFBILLFUSA-N 1 0 314.473 4.003 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC001207501481 1049899530 /nfs/dbraw/zinc/89/95/30/1049899530.db2.gz FSQWCTSMVZCLCH-OAHLLOKOSA-N 1 0 310.466 4.309 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)cc1C#N ZINC001207502758 1049900697 /nfs/dbraw/zinc/90/06/97/1049900697.db2.gz ZVSXFFIOFKLMKK-NHCUHLMSSA-N 1 0 304.437 4.467 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(c2ccccn2)CCC1 ZINC000586795502 1049900986 /nfs/dbraw/zinc/90/09/86/1049900986.db2.gz BXLZTADVSBGZEH-LJQANCHMSA-N 1 0 317.436 4.042 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](CCc3ccccc3F)CC2)c1 ZINC001207502300 1049901094 /nfs/dbraw/zinc/90/10/94/1049901094.db2.gz UNDNBNHNNCGRSQ-UHFFFAOYSA-N 1 0 308.400 4.119 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC001207520080 1049903319 /nfs/dbraw/zinc/90/33/19/1049903319.db2.gz WDVMUITUQQZECL-OAHLLOKOSA-N 1 0 310.363 4.264 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC001207515744 1049903377 /nfs/dbraw/zinc/90/33/77/1049903377.db2.gz XJOPPTHEOGHUDS-UHFFFAOYSA-N 1 0 308.400 4.119 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1C#N ZINC001207535714 1049905443 /nfs/dbraw/zinc/90/54/43/1049905443.db2.gz LMVXMXLNJIJNRZ-WBVHZDCISA-N 1 0 300.471 4.339 20 30 DIEDRO CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC001207549713 1049908007 /nfs/dbraw/zinc/90/80/07/1049908007.db2.gz WUQOFWQJSVUTRP-OAHLLOKOSA-N 1 0 316.495 4.453 20 30 DIEDRO CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC001207549712 1049908093 /nfs/dbraw/zinc/90/80/93/1049908093.db2.gz WUQOFWQJSVUTRP-HNNXBMFYSA-N 1 0 316.495 4.453 20 30 DIEDRO Cc1cccc(CC[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001207554836 1049908682 /nfs/dbraw/zinc/90/86/82/1049908682.db2.gz OWRLPVPODJBXCM-UHFFFAOYSA-N 1 0 322.427 4.234 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]C2CC(Sc3ccccc3)C2)c1 ZINC001207557147 1049909091 /nfs/dbraw/zinc/90/90/91/1049909091.db2.gz AQWIYAMYSQEIIU-UHFFFAOYSA-N 1 0 312.413 4.110 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001207599728 1049915773 /nfs/dbraw/zinc/91/57/73/1049915773.db2.gz TYKQDQLEKNNELQ-UHFFFAOYSA-N 1 0 322.427 4.316 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)c1C ZINC000156505891 1049931395 /nfs/dbraw/zinc/93/13/95/1049931395.db2.gz ROSHNAIGPSNKAY-RTWAWAEBSA-N 1 0 320.436 4.046 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001207735395 1049931821 /nfs/dbraw/zinc/93/18/21/1049931821.db2.gz DPCWHMUPRPVMNU-UHFFFAOYSA-N 1 0 315.383 4.026 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[C@H]1C(F)(F)F)CC2 ZINC000571445223 1049931929 /nfs/dbraw/zinc/93/19/29/1049931929.db2.gz RHGPJDPVHSSKCD-PMPSAXMXSA-N 1 0 308.347 4.256 20 30 DIEDRO CC[NH+](CC)CC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC001207806840 1049941678 /nfs/dbraw/zinc/94/16/78/1049941678.db2.gz YVKAFTDVPKYVIC-PKOBYXMFSA-N 1 0 315.505 4.378 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC001207894761 1049950099 /nfs/dbraw/zinc/95/00/99/1049950099.db2.gz WKMPWVSYMXFFTM-LAUBAEHRSA-N 1 0 320.436 4.300 20 30 DIEDRO C=CCCCCCCCCCN1CC[NH+](C2CCOCC2)CC1 ZINC001207899089 1049951346 /nfs/dbraw/zinc/95/13/46/1049951346.db2.gz MEHXALWNEHWCDN-UHFFFAOYSA-N 1 0 322.537 4.090 20 30 DIEDRO C[C@H](C[NH+]1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC001207900126 1049951832 /nfs/dbraw/zinc/95/18/32/1049951832.db2.gz UZGPXDGRFHQNER-GOSISDBHSA-N 1 0 304.437 4.347 20 30 DIEDRO C=CCCCCCCCCC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001207900105 1049952110 /nfs/dbraw/zinc/95/21/10/1049952110.db2.gz TZIVHFRJCSCVOC-GOSISDBHSA-N 1 0 304.482 4.222 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001207900142 1049953194 /nfs/dbraw/zinc/95/31/94/1049953194.db2.gz VVFFLXBYVIYXTK-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO C=CCN1CC[NH+](C[C@H]2CC=C(CCC=C(C)C)CC2)CC1 ZINC001207942149 1049963491 /nfs/dbraw/zinc/96/34/91/1049963491.db2.gz VOUWFCPJNWTALX-FQEVSTJZSA-N 1 0 302.506 4.263 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC2(C[C@@H]2C(=O)N(C)C)CC1 ZINC001208118017 1049974161 /nfs/dbraw/zinc/97/41/61/1049974161.db2.gz AXPOYIDDQHGVTL-DOJUMQAQSA-N 1 0 320.521 4.093 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(c2nnc(C)o2)CC1 ZINC001208124094 1049975206 /nfs/dbraw/zinc/97/52/06/1049975206.db2.gz JGYOQGRGPDLPRA-MDZDMXLPSA-N 1 0 305.466 4.474 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000588203922 1049975453 /nfs/dbraw/zinc/97/54/53/1049975453.db2.gz YOWIYBMGUTZESS-IBGZPJMESA-N 1 0 305.425 4.220 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001208118495 1049975885 /nfs/dbraw/zinc/97/58/85/1049975885.db2.gz JNSSDSJWQPQBET-WAEYIKQSSA-N 1 0 320.521 4.380 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC001208171046 1049981296 /nfs/dbraw/zinc/98/12/96/1049981296.db2.gz OOZVVCOGZCWSRN-HZPDHXFCSA-N 1 0 317.395 4.068 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC001208171042 1049981387 /nfs/dbraw/zinc/98/13/87/1049981387.db2.gz OOZVVCOGZCWSRN-CVEARBPZSA-N 1 0 317.395 4.068 20 30 DIEDRO COC(C)(C)CCC[C@@H](C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001208217569 1049986909 /nfs/dbraw/zinc/98/69/09/1049986909.db2.gz JDADXATZTLCBPO-TVFCKZIOSA-N 1 0 306.494 4.374 20 30 DIEDRO CCCCCCCCCC[N@H+](C)CC1CCN(C(C)=O)CC1 ZINC001208677753 1050000592 /nfs/dbraw/zinc/00/05/92/1050000592.db2.gz HCHXWTTWBIVXRC-UHFFFAOYSA-N 1 0 310.526 4.317 20 30 DIEDRO C[N@H+]1CC=C(Nc2cc(-c3ccc(F)cc3)sc2C#N)CC1 ZINC001208717335 1050005980 /nfs/dbraw/zinc/00/59/80/1050005980.db2.gz CEDIWBPHGVZJTC-UHFFFAOYSA-N 1 0 313.401 4.057 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2c(C)[nH]c3ccccc32)c1 ZINC000588910581 1050011614 /nfs/dbraw/zinc/01/16/14/1050011614.db2.gz BHPXTPDPCQDPFS-UHFFFAOYSA-N 1 0 320.436 4.373 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001208831703 1050013713 /nfs/dbraw/zinc/01/37/13/1050013713.db2.gz QKEQBJAYSRNRAH-CQSZACIVSA-N 1 0 310.363 4.264 20 30 DIEDRO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000588976795 1050015663 /nfs/dbraw/zinc/01/56/63/1050015663.db2.gz YHSWBZJHZZQJJF-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001208850610 1050016049 /nfs/dbraw/zinc/01/60/49/1050016049.db2.gz FRRGPTOXYROHOR-NRFANRHFSA-N 1 0 304.437 4.370 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(Cc3ccccc3)CCC2)cc1 ZINC000760718236 1050016337 /nfs/dbraw/zinc/01/63/37/1050016337.db2.gz OHSSABPEPPKRFG-QGZVFWFLSA-N 1 0 320.436 4.232 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)CCCc1cccc(C#N)c1 ZINC001208851591 1050017407 /nfs/dbraw/zinc/01/74/07/1050017407.db2.gz ZSUPZUDEEQNPTA-KRWDZBQOSA-N 1 0 322.452 4.062 20 30 DIEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC001208852381 1050017474 /nfs/dbraw/zinc/01/74/74/1050017474.db2.gz IKAOHPWJWSPTCE-OAQYLSRUSA-N 1 0 320.436 4.034 20 30 DIEDRO CC[N@H+](CCCc1cccc(C#N)c1)Cc1ccc(N(C)C)cc1 ZINC001208854024 1050017663 /nfs/dbraw/zinc/01/76/63/1050017663.db2.gz GVBBDJOPGNLMHV-UHFFFAOYSA-N 1 0 321.468 4.079 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)CCCc2ccc(C#N)cc2)cc1 ZINC001208862711 1050018265 /nfs/dbraw/zinc/01/82/65/1050018265.db2.gz OMQPDAPSYZTQLV-MRXNPFEDSA-N 1 0 308.425 4.192 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC001208863749 1050018691 /nfs/dbraw/zinc/01/86/91/1050018691.db2.gz KRPQQYLKKBJGTH-NRFANRHFSA-N 1 0 322.427 4.337 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC001208863079 1050019015 /nfs/dbraw/zinc/01/90/15/1050019015.db2.gz VSUIKNRKTBGIGP-LJQANCHMSA-N 1 0 308.400 4.119 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CC1(C)CCCCC1)C2 ZINC001208896839 1050020791 /nfs/dbraw/zinc/02/07/91/1050020791.db2.gz QPLDEKBTXJTWGH-AZUAARDMSA-N 1 0 321.505 4.031 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000589176653 1050022612 /nfs/dbraw/zinc/02/26/12/1050022612.db2.gz UORQHXQPWQZWSI-PKUWUEBNSA-N 1 0 324.374 4.360 20 30 DIEDRO N#Cc1ccc(CC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC001208920558 1050023335 /nfs/dbraw/zinc/02/33/35/1050023335.db2.gz LAJLVQKQBOPVLG-UHFFFAOYSA-N 1 0 304.437 4.055 20 30 DIEDRO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000589274507 1050027039 /nfs/dbraw/zinc/02/70/39/1050027039.db2.gz QQSHJBJLMPIDRM-GOSISDBHSA-N 1 0 314.473 4.267 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(Cc3ccccc3)CC1)CC2 ZINC000589341407 1050028635 /nfs/dbraw/zinc/02/86/35/1050028635.db2.gz CNISGFVMRXIBIA-HXUWFJFHSA-N 1 0 302.421 4.158 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1nccc2ccccc21 ZINC000589343252 1050028675 /nfs/dbraw/zinc/02/86/75/1050028675.db2.gz CSXOPJUYBJVKTD-JLTOFOAXSA-N 1 0 313.404 4.445 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(Cc3ccccc3)CC1)CC2 ZINC000589341404 1050028837 /nfs/dbraw/zinc/02/88/37/1050028837.db2.gz CNISGFVMRXIBIA-FQEVSTJZSA-N 1 0 302.421 4.158 20 30 DIEDRO COCCC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001209053483 1050032397 /nfs/dbraw/zinc/03/23/97/1050032397.db2.gz JFJQIFFWTQSITF-QGZVFWFLSA-N 1 0 308.425 4.158 20 30 DIEDRO C[N@H+](CCc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC001209119050 1050037642 /nfs/dbraw/zinc/03/76/42/1050037642.db2.gz MQKIWAYVNCVRLI-UHFFFAOYSA-N 1 0 318.342 4.252 20 30 DIEDRO C=CCCC[N@H+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209166251 1050040697 /nfs/dbraw/zinc/04/06/97/1050040697.db2.gz XYVZHXGEELTEJJ-UHFFFAOYSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCCC[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001209163681 1050041106 /nfs/dbraw/zinc/04/11/06/1050041106.db2.gz HDTAFUPVSXIRKT-MRXNPFEDSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCC[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001209163107 1050041139 /nfs/dbraw/zinc/04/11/39/1050041139.db2.gz UBDPGGLIENCQOL-UHFFFAOYSA-N 1 0 304.821 4.021 20 30 DIEDRO C=CCCCC[N@@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001209207159 1050044563 /nfs/dbraw/zinc/04/45/63/1050044563.db2.gz NCWACNJHKFVSGC-UHFFFAOYSA-N 1 0 324.509 4.453 20 30 DIEDRO C=CCCCC[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC001209206810 1050044913 /nfs/dbraw/zinc/04/49/13/1050044913.db2.gz BHNUZHVCRKICRF-KRWDZBQOSA-N 1 0 302.462 4.390 20 30 DIEDRO C=CCCCC[NH+]1CCC2(CC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001209208415 1050045110 /nfs/dbraw/zinc/04/51/10/1050045110.db2.gz UGGPKGCUHJMCOT-INIZCTEOSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(C)o2)cc1Cl ZINC000589640870 1050052370 /nfs/dbraw/zinc/05/23/70/1050052370.db2.gz DEFVHOBIKLZQQL-UHFFFAOYSA-N 1 0 305.805 4.139 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001209424154 1050057226 /nfs/dbraw/zinc/05/72/26/1050057226.db2.gz MFLUPEKHMDHNON-RTBURBONSA-N 1 0 312.457 4.003 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001209423434 1050057477 /nfs/dbraw/zinc/05/74/77/1050057477.db2.gz QNJSDXSZAXZRNN-LJQANCHMSA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001209427583 1050057611 /nfs/dbraw/zinc/05/76/11/1050057611.db2.gz UKQWUSLABNVJLY-LBPRGKRZSA-N 1 0 317.355 4.014 20 30 DIEDRO C=CCCCCCC[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001209435477 1050058208 /nfs/dbraw/zinc/05/82/08/1050058208.db2.gz KEQHDJDNEFOYEW-VAMGGRTRSA-N 1 0 321.505 4.171 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001209431692 1050058488 /nfs/dbraw/zinc/05/84/88/1050058488.db2.gz RLZRIFQSGQHRGZ-LJQANCHMSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCC[N@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001209432203 1050058776 /nfs/dbraw/zinc/05/87/76/1050058776.db2.gz AWCMUBFNSHMHFR-UHFFFAOYSA-N 1 0 318.480 4.468 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCC[C@]2(CCCCN2C(C)=O)C1 ZINC001209439223 1050059308 /nfs/dbraw/zinc/05/93/08/1050059308.db2.gz KUCXIGPVILRKHT-HXUWFJFHSA-N 1 0 320.521 4.380 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(CC1)OC(=O)c1ccccc12 ZINC001209435588 1050059666 /nfs/dbraw/zinc/05/96/66/1050059666.db2.gz FZCMVRHQVCBJDO-UHFFFAOYSA-N 1 0 313.441 4.285 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001209440598 1050059787 /nfs/dbraw/zinc/05/97/87/1050059787.db2.gz FXRJESCTGBJBFW-OALUTQOASA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCC[C@]2(CCCC(=O)N2CC=C)C1 ZINC001209436079 1050059836 /nfs/dbraw/zinc/05/98/36/1050059836.db2.gz QAXFAXPVVIAHSU-HXUWFJFHSA-N 1 0 318.505 4.156 20 30 DIEDRO C=CCCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001209445514 1050060012 /nfs/dbraw/zinc/06/00/12/1050060012.db2.gz KKLNOMXUFXIXJD-IYBDPMFKSA-N 1 0 301.421 4.117 20 30 DIEDRO C=CCCCCCCCC[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001209442629 1050060379 /nfs/dbraw/zinc/06/03/79/1050060379.db2.gz ADIZYLVEKVHBIS-IBGZPJMESA-N 1 0 306.494 4.038 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(c2noc(C)n2)CC1 ZINC001209444686 1050060521 /nfs/dbraw/zinc/06/05/21/1050060521.db2.gz XZRMKJOIZXWVEX-UHFFFAOYSA-N 1 0 305.466 4.474 20 30 DIEDRO C#CC[N@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CCc2ccccc21 ZINC001209512299 1050064589 /nfs/dbraw/zinc/06/45/89/1050064589.db2.gz GRANNWBXLCUASX-OAQYLSRUSA-N 1 0 300.405 4.291 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209506979 1050064863 /nfs/dbraw/zinc/06/48/63/1050064863.db2.gz AOIMVNZTXJRWCP-UHFFFAOYSA-N 1 0 315.420 4.225 20 30 DIEDRO C(#CC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1)c1ccccc1 ZINC001209513671 1050064991 /nfs/dbraw/zinc/06/49/91/1050064991.db2.gz AADNPPRLEZXXQM-UHFFFAOYSA-N 1 0 314.432 4.432 20 30 DIEDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001209520125 1050066377 /nfs/dbraw/zinc/06/63/77/1050066377.db2.gz NQGZSWRIFWRWQP-ZKTXZKFHSA-N 1 0 319.452 4.361 20 30 DIEDRO CC(C)O[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000589990765 1050070696 /nfs/dbraw/zinc/07/06/96/1050070696.db2.gz BWYJWRZVFZFHRJ-JXFKEZNVSA-N 1 0 308.425 4.375 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccccc1 ZINC000590069697 1050076437 /nfs/dbraw/zinc/07/64/37/1050076437.db2.gz HQFLYRZDKRHHHZ-QGZVFWFLSA-N 1 0 304.397 4.088 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000590067202 1050076698 /nfs/dbraw/zinc/07/66/98/1050076698.db2.gz BMBBYDIHAHHMQW-NIFLVVHWSA-N 1 0 320.436 4.459 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000590258016 1050084531 /nfs/dbraw/zinc/08/45/31/1050084531.db2.gz ZOPLOEHEMHZWAP-PZJWPPBQSA-N 1 0 319.452 4.290 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2c(F)cc(F)cc2C#N)cc1 ZINC001209824465 1050090133 /nfs/dbraw/zinc/09/01/33/1050090133.db2.gz LFVQHPVFHULVQF-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ccc(C#N)cc2C#N)cc1 ZINC001209826217 1050090561 /nfs/dbraw/zinc/09/05/61/1050090561.db2.gz DKTVENITCZKNNJ-UHFFFAOYSA-N 1 0 304.397 4.015 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602865 1050097667 /nfs/dbraw/zinc/09/76/67/1050097667.db2.gz ZNENOLPRAQJXAR-SFHVURJKSA-N 1 0 319.452 4.262 20 30 DIEDRO CSCC1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653784 1050101822 /nfs/dbraw/zinc/10/18/22/1050101822.db2.gz SOCPZPWXQWPGLA-PVCYVWKFSA-N 1 0 300.471 4.057 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000590778639 1050106863 /nfs/dbraw/zinc/10/68/63/1050106863.db2.gz VGMOVNVYLJXJOS-CQSZACIVSA-N 1 0 313.832 4.108 20 30 DIEDRO C[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000591051053 1050120769 /nfs/dbraw/zinc/12/07/69/1050120769.db2.gz RICUNFMOMYPBHD-VQTJNVASSA-N 1 0 305.425 4.111 20 30 DIEDRO C[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000591051051 1050120980 /nfs/dbraw/zinc/12/09/80/1050120980.db2.gz RICUNFMOMYPBHD-PMACEKPBSA-N 1 0 305.425 4.111 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000591021372 1050121522 /nfs/dbraw/zinc/12/15/22/1050121522.db2.gz BYWFVJVTGLLFTP-QGZVFWFLSA-N 1 0 312.363 4.312 20 30 DIEDRO CC(C)([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1 ZINC000057846711 1050123156 /nfs/dbraw/zinc/12/31/56/1050123156.db2.gz NEXCIWAVEQZVLG-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000591241470 1050131748 /nfs/dbraw/zinc/13/17/48/1050131748.db2.gz XGGBOUVOUCJALM-ZBCRRDGASA-N 1 0 302.849 4.117 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(F)c2)ccc1OC ZINC000057960739 1050135205 /nfs/dbraw/zinc/13/52/05/1050135205.db2.gz NYYAWPSUEZEDNQ-UHFFFAOYSA-N 1 0 315.388 4.079 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000573169311 1050141210 /nfs/dbraw/zinc/14/12/10/1050141210.db2.gz ABYYVFDMOCVTMU-FQEVSTJZSA-N 1 0 312.457 4.176 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc2c(s1)CCCC2 ZINC000591357474 1050141841 /nfs/dbraw/zinc/14/18/41/1050141841.db2.gz CETNMNRWMVOPNK-INIZCTEOSA-N 1 0 323.465 4.061 20 30 DIEDRO COc1cc(C[NH2+]C2CCC(C)(C#N)CC2)ccc1OC(C)C ZINC000823646109 1050145913 /nfs/dbraw/zinc/14/59/13/1050145913.db2.gz VKPNUYQTTNATBM-UHFFFAOYSA-N 1 0 316.445 4.044 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(C)(C)C)ccc1OC ZINC000823848554 1050159489 /nfs/dbraw/zinc/15/94/89/1050159489.db2.gz XUMFYDBQKLIBIO-GOEBONIOSA-N 1 0 318.461 4.290 20 30 DIEDRO CCCCC[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)C(C)(C)C ZINC001307617512 1050169651 /nfs/dbraw/zinc/16/96/51/1050169651.db2.gz RTZZHEXSKIJFRC-ROUUACIJSA-N 1 0 302.462 4.176 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171046257 1050184338 /nfs/dbraw/zinc/18/43/38/1050184338.db2.gz YBBRHEFCOQNRJS-KRWDZBQOSA-N 1 0 310.828 4.201 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001136839693 1050190895 /nfs/dbraw/zinc/19/08/95/1050190895.db2.gz RIQFBHFRAPBWBZ-QZTJIDSGSA-N 1 0 310.526 4.173 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)nc1 ZINC000824231354 1050191615 /nfs/dbraw/zinc/19/16/15/1050191615.db2.gz MXEJSMRYVCSAQB-RDJZCZTQSA-N 1 0 311.816 4.033 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000591761336 1050200515 /nfs/dbraw/zinc/20/05/15/1050200515.db2.gz CGDXCCLTOPVWPR-HRAATJIYSA-N 1 0 315.420 4.374 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCc3c(F)cccc32)cc1 ZINC000824469076 1050218734 /nfs/dbraw/zinc/21/87/34/1050218734.db2.gz WBZIPBIDOUBKLU-XOBRGWDASA-N 1 0 324.399 4.284 20 30 DIEDRO Cc1cc(C#N)ccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001210375934 1050220950 /nfs/dbraw/zinc/22/09/50/1050220950.db2.gz FSDVZQHBOIZIHM-UHFFFAOYSA-N 1 0 305.425 4.249 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@H]2CCc3ccccc32)cc1 ZINC000824548495 1050224673 /nfs/dbraw/zinc/22/46/73/1050224673.db2.gz IHFYNYHOSBDJKG-QFBILLFUSA-N 1 0 320.436 4.187 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@H]2CCc3ccccc32)cc1 ZINC000824548493 1050224951 /nfs/dbraw/zinc/22/49/51/1050224951.db2.gz IHFYNYHOSBDJKG-APWZRJJASA-N 1 0 320.436 4.187 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001171062439 1050231724 /nfs/dbraw/zinc/23/17/24/1050231724.db2.gz AYHWBYLKYWUJMP-VQTJNVASSA-N 1 0 303.409 4.082 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)cc1 ZINC000771390942 1050247285 /nfs/dbraw/zinc/24/72/85/1050247285.db2.gz ZMLGYOQLHJCJAU-JYJNAYRXSA-N 1 0 323.864 4.284 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2Nc1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001171068657 1050248564 /nfs/dbraw/zinc/24/85/64/1050248564.db2.gz PUGOTHHRFPOUPL-DYESRHJHSA-N 1 0 317.436 4.125 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=NOCc1ccccc1 ZINC000734365313 1050257173 /nfs/dbraw/zinc/25/71/73/1050257173.db2.gz FVQYBMYCTDXSKO-QGZVFWFLSA-N 1 0 308.425 4.101 20 30 DIEDRO N#Cc1cnccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000592107617 1050267607 /nfs/dbraw/zinc/26/76/07/1050267607.db2.gz MHVMQTYJGJMAJR-NJDAHSKKSA-N 1 0 317.436 4.111 20 30 DIEDRO N#Cc1cnccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000592107619 1050268878 /nfs/dbraw/zinc/26/88/78/1050268878.db2.gz MHVMQTYJGJMAJR-PWRODBHTSA-N 1 0 317.436 4.111 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC2(CCCC2)O1 ZINC000592193760 1050275907 /nfs/dbraw/zinc/27/59/07/1050275907.db2.gz MXJFTNNKRJNCDP-MRXNPFEDSA-N 1 0 312.457 4.021 20 30 DIEDRO CCCCC[C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C ZINC000734508664 1050279584 /nfs/dbraw/zinc/27/95/84/1050279584.db2.gz KFNQJOIRMOEZFO-JTDSTZFVSA-N 1 0 323.525 4.014 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(COc3cccc(F)c3)cc2)C1 ZINC000592394528 1050292945 /nfs/dbraw/zinc/29/29/45/1050292945.db2.gz PFDJQYWAXARRBA-IEBWSBKVSA-N 1 0 324.399 4.187 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(c3cccc(F)c3)CCC1)CC2 ZINC000592395267 1050295204 /nfs/dbraw/zinc/29/52/04/1050295204.db2.gz VJIRAEMHJUPDJL-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171084452 1050299143 /nfs/dbraw/zinc/29/91/43/1050299143.db2.gz ZAEMRAKLDLGZQD-DOMZBBRYSA-N 1 0 323.267 4.476 20 30 DIEDRO CC1(C#N)CC[NH+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171088506 1050307468 /nfs/dbraw/zinc/30/74/68/1050307468.db2.gz VZVIGKLBYQTVGQ-CQSZACIVSA-N 1 0 323.267 4.476 20 30 DIEDRO C[N@H+](CCC(C)(C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000592524239 1050313653 /nfs/dbraw/zinc/31/36/53/1050313653.db2.gz WPBSLGFSROZQME-UHFFFAOYSA-N 1 0 324.472 4.332 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@]2(C)CCCc3ccccc32)cc1 ZINC000734844486 1050325434 /nfs/dbraw/zinc/32/54/34/1050325434.db2.gz ZCJULOXYHZGCBR-IIBYNOLFSA-N 1 0 320.436 4.319 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000093492062 1050328557 /nfs/dbraw/zinc/32/85/57/1050328557.db2.gz AXBGBXJXOHEBAZ-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO Cc1ccc(C)c(OCCC[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000058563129 1050340175 /nfs/dbraw/zinc/34/01/75/1050340175.db2.gz WOYFTZPFQNDIOR-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO N#Cc1ccc(Cl)cc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210710880 1050343304 /nfs/dbraw/zinc/34/33/04/1050343304.db2.gz DVORMKPACFPXLK-INIZCTEOSA-N 1 0 301.821 4.156 20 30 DIEDRO N#Cc1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC001210712813 1050344432 /nfs/dbraw/zinc/34/44/32/1050344432.db2.gz CAVQXRAEIKMNNK-INIZCTEOSA-N 1 0 301.821 4.156 20 30 DIEDRO N#Cc1nc2ccc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)cc2s1 ZINC001210713198 1050344826 /nfs/dbraw/zinc/34/48/26/1050344826.db2.gz COYJNUMVGTWOCX-OAHLLOKOSA-N 1 0 324.453 4.112 20 30 DIEDRO N#CC1(CC[NH+]2CCC3(CC2)C(F)(F)C3(F)F)CCCCC1 ZINC000593059106 1050361252 /nfs/dbraw/zinc/36/12/52/1050361252.db2.gz RJRRKBCXRFOZJU-UHFFFAOYSA-N 1 0 318.358 4.217 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2ccccc2C)CCC1 ZINC000593041295 1050364479 /nfs/dbraw/zinc/36/44/79/1050364479.db2.gz ZNYHABUENVJESE-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735308922 1050369017 /nfs/dbraw/zinc/36/90/17/1050369017.db2.gz YKVVLBQYMCHSRE-LBPRGKRZSA-N 1 0 304.821 4.005 20 30 DIEDRO CSC1(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC1 ZINC000574089444 1050372096 /nfs/dbraw/zinc/37/20/96/1050372096.db2.gz GCJJZZVPYHZSJE-IAGOWNOFSA-N 1 0 300.471 4.044 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000735309974 1050372599 /nfs/dbraw/zinc/37/25/99/1050372599.db2.gz XPNOBQKTKCEUCO-INIZCTEOSA-N 1 0 304.821 4.007 20 30 DIEDRO CO[C@H](C#N)c1ccc(-c2cc(C[NH+]3CCCC3)ccc2F)cc1 ZINC000844229934 1050381059 /nfs/dbraw/zinc/38/10/59/1050381059.db2.gz DNADFDIJHVHCCY-HXUWFJFHSA-N 1 0 324.399 4.300 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000735490051 1050396708 /nfs/dbraw/zinc/39/67/08/1050396708.db2.gz ATEOASBGEYKUSV-SJORKVTESA-N 1 0 322.493 4.207 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CSc3ccccc32)cc1 ZINC000735508642 1050402149 /nfs/dbraw/zinc/40/21/49/1050402149.db2.gz JALVLHHPTVQPNY-GOSISDBHSA-N 1 0 309.434 4.025 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000785751715 1050411732 /nfs/dbraw/zinc/41/17/32/1050411732.db2.gz GCSIPAGIQVKJCP-CVEARBPZSA-N 1 0 310.482 4.110 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCc3c2cccc3Br)CCCC1 ZINC000593654495 1050432185 /nfs/dbraw/zinc/43/21/85/1050432185.db2.gz DRISOIZELCHYSJ-HNNXBMFYSA-N 1 0 319.246 4.110 20 30 DIEDRO N#CC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCC1 ZINC000593653042 1050432240 /nfs/dbraw/zinc/43/22/40/1050432240.db2.gz YLQQXJCNYSZHLK-UHFFFAOYSA-N 1 0 307.441 4.064 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1(C#N)CCCC1)CC3 ZINC000593653248 1050433116 /nfs/dbraw/zinc/43/31/16/1050433116.db2.gz GWLCMBSVQSDYCI-HNNXBMFYSA-N 1 0 307.441 4.007 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)c2cc(F)ccc2O1 ZINC000593674449 1050433842 /nfs/dbraw/zinc/43/38/42/1050433842.db2.gz UMXPSZDMPGHLMY-NLGTXKQRSA-N 1 0 316.420 4.490 20 30 DIEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593673732 1050434503 /nfs/dbraw/zinc/43/45/03/1050434503.db2.gz IMHVKGODMRYFQG-BJJXKVORSA-N 1 0 302.393 4.100 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000593717210 1050436946 /nfs/dbraw/zinc/43/69/46/1050436946.db2.gz ZNFJJDZHKRECHW-STQMWFEESA-N 1 0 319.246 4.110 20 30 DIEDRO N#Cc1cncc(C[NH+]2CCC(CCCc3ccccc3)CC2)c1 ZINC001144074001 1050452518 /nfs/dbraw/zinc/45/25/18/1050452518.db2.gz SXBGMIGULSFJJB-UHFFFAOYSA-N 1 0 319.452 4.188 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000574420602 1050455080 /nfs/dbraw/zinc/45/50/80/1050455080.db2.gz JGZJDJHJVLDBAV-ICSRJNTNSA-N 1 0 303.409 4.004 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000786442194 1050480435 /nfs/dbraw/zinc/48/04/35/1050480435.db2.gz DEELGZVZQLPATE-UHFFFAOYSA-N 1 0 305.365 4.315 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C)cc1 ZINC000783328446 1050485154 /nfs/dbraw/zinc/48/51/54/1050485154.db2.gz BEVCTGQXIOHOOL-CZUORRHYSA-N 1 0 313.363 4.326 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000736623717 1050485702 /nfs/dbraw/zinc/48/57/02/1050485702.db2.gz PLDPPXAQKTXGAR-SFHVURJKSA-N 1 0 310.397 4.299 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cnc3ccccc3c2)cc1 ZINC000736642376 1050485977 /nfs/dbraw/zinc/48/59/77/1050485977.db2.gz VHKCLHSTVHJYKD-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO N#Cc1coc(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)c1 ZINC001171148319 1050488551 /nfs/dbraw/zinc/48/85/51/1050488551.db2.gz DBZHYTUSRHCZGR-CYBMUJFWSA-N 1 0 321.207 4.105 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cc(C#N)cc(C(F)(F)F)c2)c1 ZINC001211138267 1050491609 /nfs/dbraw/zinc/49/16/09/1050491609.db2.gz BAEODGDJWQYIDE-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2ccc(Cl)c(C#N)c2Cl)cc1 ZINC001211134144 1050492082 /nfs/dbraw/zinc/49/20/82/1050492082.db2.gz BFUDSRAPPOEWKV-UHFFFAOYSA-N 1 0 306.196 4.328 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cccc(C(F)(F)F)c2C#N)c1 ZINC001211139493 1050493372 /nfs/dbraw/zinc/49/33/72/1050493372.db2.gz IGXSQKNEWKUTCJ-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000594493005 1050515845 /nfs/dbraw/zinc/51/58/45/1050515845.db2.gz BXSKAGYFGWPFNC-UHFFFAOYSA-N 1 0 317.436 4.301 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000594493893 1050516496 /nfs/dbraw/zinc/51/64/96/1050516496.db2.gz AAZHIOHFGLWMAF-UHFFFAOYSA-N 1 0 304.846 4.492 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](COC)c1ccc(Cl)cc1)c1ccncc1 ZINC000786826655 1050518972 /nfs/dbraw/zinc/51/89/72/1050518972.db2.gz BSTCSPYNHDKCJM-MSOLQXFVSA-N 1 0 316.832 4.330 20 30 DIEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000594494803 1050519015 /nfs/dbraw/zinc/51/90/15/1050519015.db2.gz HKVNUZKLPMNSAE-KBXCAEBGSA-N 1 0 308.425 4.494 20 30 DIEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594497804 1050519230 /nfs/dbraw/zinc/51/92/30/1050519230.db2.gz GQFAWWXYVSZVPZ-INIZCTEOSA-N 1 0 322.452 4.304 20 30 DIEDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499685 1050519436 /nfs/dbraw/zinc/51/94/36/1050519436.db2.gz PXBSASIWJAHOMV-LJQANCHMSA-N 1 0 320.436 4.328 20 30 DIEDRO Cc1csc([C@@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594501359 1050520623 /nfs/dbraw/zinc/52/06/23/1050520623.db2.gz UOTLWPWXSCMMHY-ZDUSSCGKSA-N 1 0 313.470 4.146 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC2(c3ccccn3)CCC2)cc1 ZINC000594506424 1050520637 /nfs/dbraw/zinc/52/06/37/1050520637.db2.gz QQYYPJLAOIPJKD-UHFFFAOYSA-N 1 0 319.452 4.094 20 30 DIEDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594506564 1050520882 /nfs/dbraw/zinc/52/08/82/1050520882.db2.gz BQEZOHRZEUETLT-IEBWSBKVSA-N 1 0 314.473 4.029 20 30 DIEDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594500357 1050521062 /nfs/dbraw/zinc/52/10/62/1050521062.db2.gz PLESXIHJYIXNJR-RBUKOAKNSA-N 1 0 314.473 4.171 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000594503560 1050521357 /nfs/dbraw/zinc/52/13/57/1050521357.db2.gz ZKOAGTMDAOULTM-IBGZPJMESA-N 1 0 320.436 4.491 20 30 DIEDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594510297 1050524664 /nfs/dbraw/zinc/52/46/64/1050524664.db2.gz BMCZFFYDVPMQKL-IRXDYDNUSA-N 1 0 302.487 4.252 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](COC)c1ccc(Cl)cc1)c1ccccc1 ZINC000786873951 1050525027 /nfs/dbraw/zinc/52/50/27/1050525027.db2.gz YFIFMNVYFHSEOA-RTBURBONSA-N 1 0 313.828 4.382 20 30 DIEDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594516885 1050526378 /nfs/dbraw/zinc/52/63/78/1050526378.db2.gz HDWIRZAWHORKIQ-IFXJQAMLSA-N 1 0 306.409 4.100 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000594518272 1050527572 /nfs/dbraw/zinc/52/75/72/1050527572.db2.gz FWMBZLWMKLNEKN-UHFFFAOYSA-N 1 0 323.827 4.303 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CCC2)cc1 ZINC000594519099 1050527747 /nfs/dbraw/zinc/52/77/47/1050527747.db2.gz TYYSZKDOXSOGHC-WSTZPKSXSA-N 1 0 324.468 4.122 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc4[nH]ccc43)CCC2)cc1 ZINC000594518595 1050528072 /nfs/dbraw/zinc/52/80/72/1050528072.db2.gz IFRURLDLAXTWTF-UHFFFAOYSA-N 1 0 301.393 4.209 20 30 DIEDRO COc1cc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)ccc1F ZINC000594519085 1050528332 /nfs/dbraw/zinc/52/83/32/1050528332.db2.gz SUTYQKABNSRGIK-AWEZNQCLSA-N 1 0 324.399 4.436 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CCC2)cc1 ZINC000594519098 1050528852 /nfs/dbraw/zinc/52/88/52/1050528852.db2.gz TYYSZKDOXSOGHC-QWFCFKBJSA-N 1 0 324.468 4.122 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594520120 1050528945 /nfs/dbraw/zinc/52/89/45/1050528945.db2.gz ZNGWPASFQXUCMA-KRWDZBQOSA-N 1 0 319.452 4.333 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)C1CCSCC1 ZINC000594518239 1050529112 /nfs/dbraw/zinc/52/91/12/1050529112.db2.gz NLZGGPRGOYWHRC-AWEZNQCLSA-N 1 0 300.471 4.059 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC2CCC(F)(F)CC2)cc1 ZINC000594518415 1050529252 /nfs/dbraw/zinc/52/92/52/1050529252.db2.gz ICUCJTPINLMGMT-UHFFFAOYSA-N 1 0 306.400 4.403 20 30 DIEDRO C[C@H]1c2c(F)cccc2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000738339832 1050530919 /nfs/dbraw/zinc/53/09/19/1050530919.db2.gz KFUXFGSEGPLYSM-HNNXBMFYSA-N 1 0 324.399 4.086 20 30 DIEDRO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H](C)c1cccnc1 ZINC000594606885 1050540358 /nfs/dbraw/zinc/54/03/58/1050540358.db2.gz MQMFQYHMGYDZPQ-MRXNPFEDSA-N 1 0 307.441 4.466 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(N(C)C)cc1 ZINC000787025456 1050540421 /nfs/dbraw/zinc/54/04/21/1050540421.db2.gz GTRMOWWZPZQYGF-SFTDATJTSA-N 1 0 319.452 4.352 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)c2c1c(F)ccc2O ZINC000787025389 1050540669 /nfs/dbraw/zinc/54/06/69/1050540669.db2.gz GHEQWRJHKSJDAK-ZTFRIQLXSA-N 1 0 322.383 4.228 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000787027490 1050540997 /nfs/dbraw/zinc/54/09/97/1050540997.db2.gz QTFKRFQOBDVNKR-ZBCRRDGASA-N 1 0 308.347 4.256 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(Cl)ccc1O ZINC000787029470 1050541272 /nfs/dbraw/zinc/54/12/72/1050541272.db2.gz XLGLXIAWZLXSTP-APPDUMDISA-N 1 0 312.800 4.255 20 30 DIEDRO CCc1csc(CC2CC[NH+](CC(C)(C)CCC#N)CC2)n1 ZINC000594611446 1050541408 /nfs/dbraw/zinc/54/14/08/1050541408.db2.gz FINKQSZRMOFVDO-UHFFFAOYSA-N 1 0 319.518 4.290 20 30 DIEDRO SC1CC[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171160517 1050541689 /nfs/dbraw/zinc/54/16/89/1050541689.db2.gz BUEFBCCQIHTOKH-LBPRGKRZSA-N 1 0 316.297 4.245 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171160946 1050544956 /nfs/dbraw/zinc/54/49/56/1050544956.db2.gz CRRBAPZEYHGJKO-IUODEOHRSA-N 1 0 323.267 4.476 20 30 DIEDRO C=C(C)c1ccc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)nc1 ZINC001171165528 1050546352 /nfs/dbraw/zinc/54/63/52/1050546352.db2.gz JMDPSMFNMYQGJB-HNNXBMFYSA-N 1 0 305.425 4.257 20 30 DIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(CC#N)c(C)c3)c2c1 ZINC001171167037 1050549010 /nfs/dbraw/zinc/54/90/10/1050549010.db2.gz GBEVTYTUACTEKX-MRXNPFEDSA-N 1 0 317.436 4.203 20 30 DIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc(F)c3CC#N)c2c1 ZINC001171166927 1050549450 /nfs/dbraw/zinc/54/94/50/1050549450.db2.gz GVIDWIUZBUGICZ-CQSZACIVSA-N 1 0 321.399 4.034 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1 ZINC000065276183 1050558800 /nfs/dbraw/zinc/55/88/00/1050558800.db2.gz PVSVJBQJNITJMY-UHFFFAOYSA-N 1 0 324.399 4.204 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC3(c4ccccc4)CC3)cc2)CC1 ZINC000594915171 1050561686 /nfs/dbraw/zinc/56/16/86/1050561686.db2.gz PPVPTDGFOFOFDC-UHFFFAOYSA-N 1 0 302.421 4.063 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000594919985 1050562227 /nfs/dbraw/zinc/56/22/27/1050562227.db2.gz QYONAPGIWHPOAL-HXUWFJFHSA-N 1 0 302.421 4.483 20 30 DIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594923564 1050562644 /nfs/dbraw/zinc/56/26/44/1050562644.db2.gz ZIFXHUVXDBINMF-MRXNPFEDSA-N 1 0 320.436 4.058 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594918787 1050563359 /nfs/dbraw/zinc/56/33/59/1050563359.db2.gz SJWFKQVNHYGWLW-UHFFFAOYSA-N 1 0 308.450 4.253 20 30 DIEDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594923157 1050564080 /nfs/dbraw/zinc/56/40/80/1050564080.db2.gz XDMNLBFXBJTAQI-IBGZPJMESA-N 1 0 318.420 4.082 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594928174 1050565255 /nfs/dbraw/zinc/56/52/55/1050565255.db2.gz FMNHVVKZSKXBDU-HNNXBMFYSA-N 1 0 308.425 4.254 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)Cc1cccs1 ZINC000594929831 1050565278 /nfs/dbraw/zinc/56/52/78/1050565278.db2.gz OEJWEWOWFBSBSL-HNNXBMFYSA-N 1 0 310.466 4.272 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3COc4ccc(Cl)cc43)cc2)CC1 ZINC000594930079 1050565890 /nfs/dbraw/zinc/56/58/90/1050565890.db2.gz BEBSDKKBPKZBDY-QGZVFWFLSA-N 1 0 324.811 4.118 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc3ccccc3c2)no1 ZINC001211436456 1050566024 /nfs/dbraw/zinc/56/60/24/1050566024.db2.gz LVVWVAQCQPRUCQ-UHFFFAOYSA-N 1 0 319.408 4.389 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3coc4ccccc34)cc2)CC1 ZINC000594924892 1050566228 /nfs/dbraw/zinc/56/62/28/1050566228.db2.gz OJJQAAUUGIMYMZ-UHFFFAOYSA-N 1 0 302.377 4.278 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000594926989 1050566990 /nfs/dbraw/zinc/56/69/90/1050566990.db2.gz QAUKGPOHVULSLV-UHFFFAOYSA-N 1 0 314.791 4.324 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(Cl)cc2C)no1 ZINC001211436114 1050567040 /nfs/dbraw/zinc/56/70/40/1050567040.db2.gz BEBOMSQGTGNECN-UHFFFAOYSA-N 1 0 317.820 4.198 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001171178397 1050568263 /nfs/dbraw/zinc/56/82/63/1050568263.db2.gz FYBUKYFQAJDRMH-XFWPWHQGSA-N 1 0 321.468 4.273 20 30 DIEDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H](C)Cc1cccc(C#N)c1 ZINC001171178252 1050568690 /nfs/dbraw/zinc/56/86/90/1050568690.db2.gz DTKQGUIOIVGRMB-MRXNPFEDSA-N 1 0 317.436 4.126 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccccc1 ZINC001144416088 1050569625 /nfs/dbraw/zinc/56/96/25/1050569625.db2.gz WKNAFKZDOZEVIM-UHFFFAOYSA-N 1 0 311.816 4.405 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1c(F)cccc1Cl ZINC001171176127 1050570013 /nfs/dbraw/zinc/57/00/13/1050570013.db2.gz PQSICXYJPBYAQQ-CYBMUJFWSA-N 1 0 316.807 4.114 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1C(F)F ZINC001171178688 1050572515 /nfs/dbraw/zinc/57/25/15/1050572515.db2.gz JNQSAFWMQIMNLI-ZDUSSCGKSA-N 1 0 300.352 4.217 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(OCC2CC2)cc1)c1cccc(C#N)c1 ZINC000594970109 1050573199 /nfs/dbraw/zinc/57/31/99/1050573199.db2.gz TYJAWOPWCXWNLY-UHFFFAOYSA-N 1 0 320.436 4.372 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000594932100 1050573610 /nfs/dbraw/zinc/57/36/10/1050573610.db2.gz WCRYTURYJDEVBY-IBGZPJMESA-N 1 0 324.468 4.213 20 30 DIEDRO Cc1ccc(NCc2ccc(C3(C#N)CC3)cc2)c(C[NH+](C)C)c1 ZINC000594933442 1050573683 /nfs/dbraw/zinc/57/36/83/1050573683.db2.gz FUVYIDOCVJDTMH-UHFFFAOYSA-N 1 0 319.452 4.224 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc2ccccc2c1 ZINC001171181696 1050574777 /nfs/dbraw/zinc/57/47/77/1050574777.db2.gz NYFQLOUMIGEJPI-INIZCTEOSA-N 1 0 300.405 4.432 20 30 DIEDRO Cc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c2[nH]ccc21 ZINC001171181830 1050574857 /nfs/dbraw/zinc/57/48/57/1050574857.db2.gz CWZWBVPUSULERJ-UHFFFAOYSA-N 1 0 315.376 4.372 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CCCCC3(F)F)cc2)CC1 ZINC000594943904 1050578574 /nfs/dbraw/zinc/57/85/74/1050578574.db2.gz LVVOHEWSSLJLNK-INIZCTEOSA-N 1 0 304.384 4.157 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594948726 1050578600 /nfs/dbraw/zinc/57/86/00/1050578600.db2.gz BVCOJFAVYDYQTJ-HXUWFJFHSA-N 1 0 315.420 4.376 20 30 DIEDRO C[NH+](C)Cc1ccc(NCc2ccc(C3(C#N)CC3)cc2)c(F)c1 ZINC000594946774 1050579143 /nfs/dbraw/zinc/57/91/43/1050579143.db2.gz RQYGMNVFYDMSGK-UHFFFAOYSA-N 1 0 323.415 4.055 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000594960861 1050580053 /nfs/dbraw/zinc/58/00/53/1050580053.db2.gz YDBZIWIGOXYQOJ-UHFFFAOYSA-N 1 0 304.484 4.209 20 30 DIEDRO Cc1cc2cc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)ccc2[nH]1 ZINC000594959742 1050580967 /nfs/dbraw/zinc/58/09/67/1050580967.db2.gz XKYLVJYLJQEQER-UHFFFAOYSA-N 1 0 315.420 4.321 20 30 DIEDRO Cc1cccc2[nH]c(C[NH2+]C3(c4cccc(C#N)c4)CC3)cc21 ZINC000594954856 1050581771 /nfs/dbraw/zinc/58/17/71/1050581771.db2.gz LMNOGKQIFMIQQE-UHFFFAOYSA-N 1 0 301.393 4.127 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc2ccccc2s1 ZINC001171182321 1050581925 /nfs/dbraw/zinc/58/19/25/1050581925.db2.gz UQEDPACUPFRKGA-CQSZACIVSA-N 1 0 306.434 4.494 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(F)c1Cl ZINC001171185297 1050582243 /nfs/dbraw/zinc/58/22/43/1050582243.db2.gz QHGQGJPZWBLCDV-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccccc2Cl)CC1 ZINC001171183443 1050582638 /nfs/dbraw/zinc/58/26/38/1050582638.db2.gz DZSZZUUMUYDFJL-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO COc1ccccc1/C=C\C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594967694 1050583102 /nfs/dbraw/zinc/58/31/02/1050583102.db2.gz GVKMYDRPCUYZMU-YFHOEESVSA-N 1 0 306.409 4.105 20 30 DIEDRO Cc1cccc2[nH]c(C[NH2+]C(C)(C)c3cccc(C#N)c3)cc21 ZINC000594966741 1050583224 /nfs/dbraw/zinc/58/32/24/1050583224.db2.gz ADGQXUZISWINBF-UHFFFAOYSA-N 1 0 303.409 4.373 20 30 DIEDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c(Cl)c1 ZINC000594965068 1050583250 /nfs/dbraw/zinc/58/32/50/1050583250.db2.gz IAXZQVXHKJTKCJ-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO [NH2+]=C(Nc1ccc2ccncc2c1)c1ccc2cc(O)ccc2c1 ZINC001171183906 1050584579 /nfs/dbraw/zinc/58/45/79/1050584579.db2.gz BMZWYNHMRIPKAY-UHFFFAOYSA-N 1 0 313.360 4.131 20 30 DIEDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCC#N ZINC000595015127 1050585679 /nfs/dbraw/zinc/58/56/79/1050585679.db2.gz YOPXGRBMTGKPDX-HNNXBMFYSA-N 1 0 309.251 4.054 20 30 DIEDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595045328 1050601548 /nfs/dbraw/zinc/60/15/48/1050601548.db2.gz UFHRKTPHXNPKAO-CWRNSKLLSA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001171190726 1050592000 /nfs/dbraw/zinc/59/20/00/1050592000.db2.gz XQPGLKOFHJGMHZ-UPRAQXHNSA-N 1 0 310.828 4.288 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000595057172 1050594202 /nfs/dbraw/zinc/59/42/02/1050594202.db2.gz BHJVSXWAGFBHGN-SFHVURJKSA-N 1 0 316.445 4.209 20 30 DIEDRO C=CCC[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000595061242 1050594334 /nfs/dbraw/zinc/59/43/34/1050594334.db2.gz ZCOFCUBXIPTYDL-QGZVFWFLSA-N 1 0 300.358 4.005 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171191746 1050594635 /nfs/dbraw/zinc/59/46/35/1050594635.db2.gz DYGNILHNWHAHLX-JKSUJKDBSA-N 1 0 308.425 4.239 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000595057151 1050594803 /nfs/dbraw/zinc/59/48/03/1050594803.db2.gz AUYVHEOIJJCHDI-MAUKXSAKSA-N 1 0 323.477 4.192 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000595057153 1050595108 /nfs/dbraw/zinc/59/51/08/1050595108.db2.gz AUYVHEOIJJCHDI-YJBOKZPZSA-N 1 0 323.477 4.192 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(C#N)cc1 ZINC000595070814 1050596243 /nfs/dbraw/zinc/59/62/43/1050596243.db2.gz YWJSWFQZRZECSY-GOSISDBHSA-N 1 0 324.399 4.479 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)n1cc(C[NH3+])c2cc(Cl)ccc21 ZINC001171190326 1050596565 /nfs/dbraw/zinc/59/65/65/1050596565.db2.gz SAHAMRZYYIBYQK-CYBMUJFWSA-N 1 0 323.827 4.429 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171192086 1050598255 /nfs/dbraw/zinc/59/82/55/1050598255.db2.gz KDNDNLORZUHHQG-IRXDYDNUSA-N 1 0 320.436 4.405 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(C#N)cc1 ZINC000595070815 1050598952 /nfs/dbraw/zinc/59/89/52/1050598952.db2.gz YWJSWFQZRZECSY-SFHVURJKSA-N 1 0 324.399 4.479 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C(F)F)nc1 ZINC000595039561 1050600783 /nfs/dbraw/zinc/60/07/83/1050600783.db2.gz QDMORQDKCAQJJQ-SNVBAGLBSA-N 1 0 321.758 4.395 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000595035204 1050600883 /nfs/dbraw/zinc/60/08/83/1050600883.db2.gz HUANKRIRUUIJGU-DJXDEVDJSA-N 1 0 305.487 4.210 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595045556 1050600940 /nfs/dbraw/zinc/60/09/40/1050600940.db2.gz NTGVLBGOICBSBS-PXAZEXFGSA-N 1 0 303.365 4.038 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)Cc1ccccc1F ZINC001171192099 1050601239 /nfs/dbraw/zinc/60/12/39/1050601239.db2.gz KLDCCIMQZXPAAC-OAHLLOKOSA-N 1 0 310.416 4.239 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 ZINC000595049044 1050601334 /nfs/dbraw/zinc/60/13/34/1050601334.db2.gz TZYVUUJJASAFCH-ZBEGNZNMSA-N 1 0 313.351 4.229 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc2cnccc2o1 ZINC000595048053 1050602553 /nfs/dbraw/zinc/60/25/53/1050602553.db2.gz UYVMYAAFFWFFJO-CQSZACIVSA-N 1 0 317.392 4.429 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC001171195344 1050602709 /nfs/dbraw/zinc/60/27/09/1050602709.db2.gz RTJDRNCRTYUQLB-VLIAUNLRSA-N 1 0 308.400 4.296 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171193881 1050604161 /nfs/dbraw/zinc/60/41/61/1050604161.db2.gz DSSIFMKXYURMSR-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO C[C@H](O)[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595103951 1050608271 /nfs/dbraw/zinc/60/82/71/1050608271.db2.gz PKUKXRHPJNWSFD-IWMITWMQSA-N 1 0 320.436 4.037 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)c(C)c1OC ZINC000595091626 1050609504 /nfs/dbraw/zinc/60/95/04/1050609504.db2.gz SDOPAUPUCKOFES-OAHLLOKOSA-N 1 0 316.445 4.137 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc(C#N)cc1 ZINC000595076003 1050609853 /nfs/dbraw/zinc/60/98/53/1050609853.db2.gz CNLBVNWBHJARFM-PCCBWWKXSA-N 1 0 320.436 4.172 20 30 DIEDRO C[C@@]1(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1(F)F ZINC000595079621 1050609983 /nfs/dbraw/zinc/60/99/83/1050609983.db2.gz GAERPUSLOCUJPM-DLBZAZTESA-N 1 0 304.384 4.351 20 30 DIEDRO C[C@@H]([NH2+]CCc1cn(C)c2ccccc12)c1ccc(C#N)c(F)c1 ZINC000595077885 1050610421 /nfs/dbraw/zinc/61/04/21/1050610421.db2.gz QWYUEAGSQAOKFH-CQSZACIVSA-N 1 0 321.399 4.082 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(Cc2cccc(F)c2)CC1 ZINC001171197767 1050611150 /nfs/dbraw/zinc/61/11/50/1050611150.db2.gz CGWZIEUQUKCNDS-INIZCTEOSA-N 1 0 322.427 4.241 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)Cc1cccc(F)c1 ZINC001171197795 1050611480 /nfs/dbraw/zinc/61/14/80/1050611480.db2.gz CIJXLFMULPQCOV-HNNXBMFYSA-N 1 0 310.416 4.239 20 30 DIEDRO N#CC1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCCCC1 ZINC000595091371 1050612052 /nfs/dbraw/zinc/61/20/52/1050612052.db2.gz PWNPEIMOAWOLKP-IEBWSBKVSA-N 1 0 312.457 4.218 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000595092248 1050612089 /nfs/dbraw/zinc/61/20/89/1050612089.db2.gz WJRSWNSVRBSMCK-MWLCHTKSSA-N 1 0 316.289 4.322 20 30 DIEDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(C#N)cc1 ZINC000595097203 1050614339 /nfs/dbraw/zinc/61/43/39/1050614339.db2.gz SNYUJCZYWWUQLP-PCCBWWKXSA-N 1 0 322.452 4.357 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc1 ZINC001144578439 1050619607 /nfs/dbraw/zinc/61/96/07/1050619607.db2.gz CIOQFJGYWKQUHG-IBGZPJMESA-N 1 0 311.425 4.174 20 30 DIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCc2ccc(C#N)cc2)s1 ZINC000595335403 1050621002 /nfs/dbraw/zinc/62/10/02/1050621002.db2.gz WXEWNFSDCVYFKS-AWEZNQCLSA-N 1 0 313.470 4.121 20 30 DIEDRO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000595332375 1050621853 /nfs/dbraw/zinc/62/18/53/1050621853.db2.gz CVSKEWYIZRVPJG-DJIMGWMZSA-N 1 0 306.400 4.440 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H](C)CCCC(C)C)C2 ZINC001170078125 1050621914 /nfs/dbraw/zinc/62/19/14/1050621914.db2.gz QAIVSZKEIMGYAG-AZUAARDMSA-N 1 0 320.521 4.234 20 30 DIEDRO COc1ccccc1[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C1CC1 ZINC001171200689 1050626229 /nfs/dbraw/zinc/62/62/29/1050626229.db2.gz AJRLIUGZUUYGRP-BTYIYWSLSA-N 1 0 320.436 4.239 20 30 DIEDRO CCCCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000740840780 1050632894 /nfs/dbraw/zinc/63/28/94/1050632894.db2.gz FBSJCJBMOZTGKH-ZWKOTPCHSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000740875204 1050634894 /nfs/dbraw/zinc/63/48/94/1050634894.db2.gz LARGIYKETKRGGO-UHFFFAOYSA-N 1 0 317.477 4.243 20 30 DIEDRO CC[C@@H](OCC[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000593017885 1050635025 /nfs/dbraw/zinc/63/50/25/1050635025.db2.gz CTHKEPMYCAEVQY-OXQOHEQNSA-N 1 0 308.425 4.377 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000595474061 1050635194 /nfs/dbraw/zinc/63/51/94/1050635194.db2.gz CONGLZIYJSSVFS-INIZCTEOSA-N 1 0 322.374 4.155 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001171204439 1050646391 /nfs/dbraw/zinc/64/63/91/1050646391.db2.gz XWJOYYKOLNMKOS-QRWLVFNGSA-N 1 0 308.400 4.465 20 30 DIEDRO C#CCC1(c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CCCCC1 ZINC000788103398 1050647272 /nfs/dbraw/zinc/64/72/72/1050647272.db2.gz UWPDXSASCVNUFY-UHFFFAOYSA-N 1 0 323.440 4.023 20 30 DIEDRO C=C(Cl)CN(CCCO)C(c1ccccc1)c1ccccc1 ZINC000749203675 1050649090 /nfs/dbraw/zinc/64/90/90/1050649090.db2.gz MUHGEQBLSBUCGT-UHFFFAOYSA-N 1 0 315.844 4.213 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000595616602 1050653447 /nfs/dbraw/zinc/65/34/47/1050653447.db2.gz UZFMEHAMUKRXRQ-QGZVFWFLSA-N 1 0 308.425 4.234 20 30 DIEDRO C[C@H](c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1)C(F)(F)F ZINC000595623974 1050653489 /nfs/dbraw/zinc/65/34/89/1050653489.db2.gz ZUTGHANFRBJMLZ-KGLIPLIRSA-N 1 0 310.363 4.478 20 30 DIEDRO CC(C)Oc1ccccc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595634384 1050655540 /nfs/dbraw/zinc/65/55/40/1050655540.db2.gz AYOGLBSUPJSRQL-UHFFFAOYSA-N 1 0 308.425 4.370 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000595614716 1050657865 /nfs/dbraw/zinc/65/78/65/1050657865.db2.gz MTVNNORDPGENHA-CQSZACIVSA-N 1 0 308.878 4.448 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000846053401 1050659587 /nfs/dbraw/zinc/65/95/87/1050659587.db2.gz QZKVXSINEWLMRY-HZPDHXFCSA-N 1 0 322.493 4.016 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccccc3[C@H](C)C2)cc1 ZINC000846066841 1050661903 /nfs/dbraw/zinc/66/19/03/1050661903.db2.gz HKGYJZHUEWQSMN-SJORKVTESA-N 1 0 320.436 4.139 20 30 DIEDRO C[C@@]1(C#N)CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000595839639 1050671185 /nfs/dbraw/zinc/67/11/85/1050671185.db2.gz KOYBFBHIPKGIJN-OUMXJLHTSA-N 1 0 319.246 4.088 20 30 DIEDRO C[C@@]1(C#N)CCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000595841452 1050671228 /nfs/dbraw/zinc/67/12/28/1050671228.db2.gz WVWQQGCWPVHICN-FQEVSTJZSA-N 1 0 306.409 4.001 20 30 DIEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]CCCCC(C)(C)C#N)C12CCC2 ZINC000595777946 1050671471 /nfs/dbraw/zinc/67/14/71/1050671471.db2.gz MMQFUBZWZSUWDW-HOTGVXAUSA-N 1 0 306.494 4.422 20 30 DIEDRO N#CC1(CC[NH+]2CCC([C@@H]3CCCCO3)CC2)CCCCC1 ZINC000595784616 1050671522 /nfs/dbraw/zinc/67/15/22/1050671522.db2.gz SYDYXIPBFNOQHN-SFHVURJKSA-N 1 0 304.478 4.132 20 30 DIEDRO COc1cccc(C2([NH2+]Cc3ccc(C#N)cc3C)CCC2)c1 ZINC000595847904 1050672722 /nfs/dbraw/zinc/67/27/22/1050672722.db2.gz IRZHJHWIDORILN-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc(C#N)cc1F ZINC000596099906 1050683646 /nfs/dbraw/zinc/68/36/46/1050683646.db2.gz ZBGIKSRIRUBMMT-SNVBAGLBSA-N 1 0 302.315 4.327 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000227582231 1050688058 /nfs/dbraw/zinc/68/80/58/1050688058.db2.gz LMAWOCXAJIJZKR-CVEARBPZSA-N 1 0 322.493 4.253 20 30 DIEDRO Cc1nc2cc(OCc3ccccc3C(C)(C)C#N)ccc2n1C ZINC000596285028 1050696391 /nfs/dbraw/zinc/69/63/91/1050696391.db2.gz GQDIQRUIFJSAKR-UHFFFAOYSA-N 1 0 319.408 4.262 20 30 DIEDRO CC(C)Oc1ccc2[nH+]ccc(N3CCC[C@H](CC#N)C3)c2c1 ZINC000596326389 1050706642 /nfs/dbraw/zinc/70/66/42/1050706642.db2.gz SVYUBTPVGPEDKW-OAHLLOKOSA-N 1 0 309.413 4.152 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741590106 1050711216 /nfs/dbraw/zinc/71/12/16/1050711216.db2.gz AWLQOADPQXXMOH-QZTJIDSGSA-N 1 0 310.526 4.458 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001171221215 1050712086 /nfs/dbraw/zinc/71/20/86/1050712086.db2.gz JCXQJOBDGYVKSP-UTKZUKDTSA-N 1 0 304.437 4.054 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001171221213 1050712453 /nfs/dbraw/zinc/71/24/53/1050712453.db2.gz JCXQJOBDGYVKSP-DYESRHJHSA-N 1 0 304.437 4.054 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741590107 1050712969 /nfs/dbraw/zinc/71/29/69/1050712969.db2.gz AWLQOADPQXXMOH-ROUUACIJSA-N 1 0 310.526 4.458 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(SC)CC2)cc1 ZINC000788605965 1050714458 /nfs/dbraw/zinc/71/44/58/1050714458.db2.gz OMZGLFWJHRNRET-CYBMUJFWSA-N 1 0 311.878 4.364 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001171222373 1050714819 /nfs/dbraw/zinc/71/48/19/1050714819.db2.gz GPSFWAMEJOCHMU-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171224754 1050717435 /nfs/dbraw/zinc/71/74/35/1050717435.db2.gz UZSJAQJLCSYTQY-HZPDHXFCSA-N 1 0 308.425 4.191 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171224750 1050718453 /nfs/dbraw/zinc/71/84/53/1050718453.db2.gz UZSJAQJLCSYTQY-HOTGVXAUSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001171228060 1050721690 /nfs/dbraw/zinc/72/16/90/1050721690.db2.gz DPFNFWMMCGBUPI-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001171228179 1050721989 /nfs/dbraw/zinc/72/19/89/1050721989.db2.gz FCQLNZKHXITQBA-QAPCUYQASA-N 1 0 300.421 4.093 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229060 1050724153 /nfs/dbraw/zinc/72/41/53/1050724153.db2.gz KGZGDKUGHOSFIE-KKSFZXQISA-N 1 0 304.437 4.499 20 30 DIEDRO CC[C@@H](/[NH+]=C\c1ccc(N(CC)CC)cc1O)c1nccs1 ZINC000737444407 1050731145 /nfs/dbraw/zinc/73/11/45/1050731145.db2.gz QSUQVUISOLQDSG-VUFYJBQKSA-N 1 0 317.458 4.265 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1cccc(C#N)c1 ZINC000593183319 1050740349 /nfs/dbraw/zinc/74/03/49/1050740349.db2.gz UBYAYAIZRPAEIJ-YSSFQJQWSA-N 1 0 306.409 4.129 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000741802159 1050747812 /nfs/dbraw/zinc/74/78/12/1050747812.db2.gz SGYCHSMTXPAIDR-IBGZPJMESA-N 1 0 308.425 4.042 20 30 DIEDRO CC(C)(C#N)c1ccccc1CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000596593850 1050750886 /nfs/dbraw/zinc/75/08/86/1050750886.db2.gz SGRHEHJZQQNNGH-LJQANCHMSA-N 1 0 319.452 4.466 20 30 DIEDRO C=C(C)[C@H]([NH2+]CC1(Br)CC1)c1ccc(F)c(F)c1 ZINC000846860468 1050774179 /nfs/dbraw/zinc/77/41/79/1050774179.db2.gz JOEJNTYWXRNOTI-ZDUSSCGKSA-N 1 0 316.189 4.099 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC000788985608 1050772436 /nfs/dbraw/zinc/77/24/36/1050772436.db2.gz UMJYCJXPXMEOBY-LJQANCHMSA-N 1 0 324.399 4.218 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)c1ccc(OCC#N)cc1 ZINC000788990043 1050774589 /nfs/dbraw/zinc/77/45/89/1050774589.db2.gz ZPSJJXBQESMWQT-KGLIPLIRSA-N 1 0 322.399 4.454 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1cc(Cl)cc(OC)c1O ZINC000761194272 1050775344 /nfs/dbraw/zinc/77/53/44/1050775344.db2.gz UXRWJNSYUJOXSC-UHFFFAOYSA-N 1 0 324.852 4.206 20 30 DIEDRO N#Cc1ccc(CNc2ccc3c(c2)[nH]c2cc[nH+]cc23)cc1F ZINC001170096215 1050782932 /nfs/dbraw/zinc/78/29/32/1050782932.db2.gz XNAVVCQIGXGRHG-UHFFFAOYSA-N 1 0 316.339 4.339 20 30 DIEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000596977752 1050792477 /nfs/dbraw/zinc/79/24/77/1050792477.db2.gz ONYQWSDMJTYOPE-HNNXBMFYSA-N 1 0 308.347 4.016 20 30 DIEDRO Cc1ccc(C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C2CC2)o1 ZINC000596979350 1050792918 /nfs/dbraw/zinc/79/29/18/1050792918.db2.gz KJYFVLOVIKGLQC-UHFFFAOYSA-N 1 0 306.409 4.308 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CSCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958314 1050792591 /nfs/dbraw/zinc/79/25/91/1050792591.db2.gz FCBSMGUVBJSZTL-IFXJQAMLSA-N 1 0 324.449 4.228 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCCCO1 ZINC000597002973 1050794205 /nfs/dbraw/zinc/79/42/05/1050794205.db2.gz JZZNFSHYJBMNNV-IBGZPJMESA-N 1 0 312.457 4.023 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCCCO1 ZINC000597002974 1050795287 /nfs/dbraw/zinc/79/52/87/1050795287.db2.gz JZZNFSHYJBMNNV-LJQANCHMSA-N 1 0 312.457 4.023 20 30 DIEDRO CC[N@H+](Cc1c(C2CCC2)cnn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984254 1050795389 /nfs/dbraw/zinc/79/53/89/1050795389.db2.gz RYBKLUXMPCDGAK-HNNXBMFYSA-N 1 0 322.456 4.142 20 30 DIEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000596999621 1050796209 /nfs/dbraw/zinc/79/62/09/1050796209.db2.gz FDVQCVRSTTWROB-HXUWFJFHSA-N 1 0 318.420 4.284 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)cc2)CC1 ZINC000597014142 1050796862 /nfs/dbraw/zinc/79/68/62/1050796862.db2.gz OQXJQBJXSZLHJB-MSOLQXFVSA-N 1 0 312.482 4.102 20 30 DIEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000772957826 1050797199 /nfs/dbraw/zinc/79/71/99/1050797199.db2.gz BSSRXRTYPVKWAV-FOIQADDNSA-N 1 0 306.409 4.236 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3C)cc1 ZINC000772961075 1050808352 /nfs/dbraw/zinc/80/83/52/1050808352.db2.gz YYHAPAPZZVSYRK-IERDGZPVSA-N 1 0 305.421 4.345 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000772958782 1050808991 /nfs/dbraw/zinc/80/89/91/1050808991.db2.gz HUZKRIAKCORENI-VKJFTORMSA-N 1 0 300.446 4.454 20 30 DIEDRO CC[N@H+](CCOc1ccccc1C#N)Cc1ccc(Cl)s1 ZINC000060464883 1050810401 /nfs/dbraw/zinc/81/04/01/1050810401.db2.gz DEBHZIUGRPEQMU-UHFFFAOYSA-N 1 0 320.845 4.174 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000772965630 1050811864 /nfs/dbraw/zinc/81/18/64/1050811864.db2.gz QJNZSKCRJXRARS-JKSUJKDBSA-N 1 0 315.379 4.463 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CC(Cc4ccc(F)cc4)C3)cc2)CC1 ZINC000597147216 1050811961 /nfs/dbraw/zinc/81/19/61/1050811961.db2.gz SCJQEMDISSPUMW-UHFFFAOYSA-N 1 0 320.411 4.055 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccncc1 ZINC000597136766 1050812751 /nfs/dbraw/zinc/81/27/51/1050812751.db2.gz VESDKAPOKVBOBU-IBGZPJMESA-N 1 0 317.436 4.220 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597162296 1050814389 /nfs/dbraw/zinc/81/43/89/1050814389.db2.gz VTYFOFYZFXUAPV-MRXNPFEDSA-N 1 0 315.420 4.306 20 30 DIEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC(OC(C)(C)C)C1 ZINC000597154360 1050815157 /nfs/dbraw/zinc/81/51/57/1050815157.db2.gz OZOUSTMJMMQWOT-UHFFFAOYSA-N 1 0 312.457 4.020 20 30 DIEDRO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2c(C)cc(C)cc2C)n1 ZINC000789326093 1050815806 /nfs/dbraw/zinc/81/58/06/1050815806.db2.gz NFZUPUVVOADKBJ-GOSISDBHSA-N 1 0 309.457 4.025 20 30 DIEDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(C#N)CCC1 ZINC000597154444 1050816247 /nfs/dbraw/zinc/81/62/47/1050816247.db2.gz QOQBZQTXJMVOLM-HNNXBMFYSA-N 1 0 321.262 4.054 20 30 DIEDRO COc1ccc(C[NH2+]CCc2ccc(C(C)C)cc2)cc1C#N ZINC000742366317 1050820113 /nfs/dbraw/zinc/82/01/13/1050820113.db2.gz UXIOHCZCNDPCND-UHFFFAOYSA-N 1 0 308.425 4.023 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000597178129 1050821060 /nfs/dbraw/zinc/82/10/60/1050821060.db2.gz VVEXDMZWIWXDCM-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597177983 1050821580 /nfs/dbraw/zinc/82/15/80/1050821580.db2.gz SYXPVJHUELYMER-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597177982 1050821682 /nfs/dbraw/zinc/82/16/82/1050821682.db2.gz SYXPVJHUELYMER-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C(C)(C)O ZINC001170105891 1050825106 /nfs/dbraw/zinc/82/51/06/1050825106.db2.gz SEYKMVBPIHOFMW-FQEVSTJZSA-N 1 0 322.452 4.110 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](C)Cc2cccs2)cc1 ZINC000742375140 1050834046 /nfs/dbraw/zinc/83/40/46/1050834046.db2.gz IWOHCSYCCKACAO-INIZCTEOSA-N 1 0 313.466 4.119 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000742375470 1050836702 /nfs/dbraw/zinc/83/67/02/1050836702.db2.gz ORNFTMUSDVLGMS-WOJBJXKFSA-N 1 0 311.473 4.095 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)C1CC[NH+](CC)CC1 ZINC001146781203 1050842550 /nfs/dbraw/zinc/84/25/50/1050842550.db2.gz APKGRGPUVNOPND-UHFFFAOYSA-N 1 0 310.526 4.317 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CC2CCC2)ccc1OC ZINC000772979754 1050856402 /nfs/dbraw/zinc/85/64/02/1050856402.db2.gz MBXZUZRWWOVNQP-RHSMWYFYSA-N 1 0 316.445 4.044 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000772982601 1050891671 /nfs/dbraw/zinc/89/16/71/1050891671.db2.gz XQZCAMGXPXPCKC-CKJXQJPGSA-N 1 0 305.421 4.283 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000772982602 1050894486 /nfs/dbraw/zinc/89/44/86/1050894486.db2.gz XQZCAMGXPXPCKC-QYWGDWMGSA-N 1 0 305.421 4.283 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3cc(C)ccc32)c1 ZINC000772986042 1050918288 /nfs/dbraw/zinc/91/82/88/1050918288.db2.gz ZDHVWHWGSHVUHR-WIYYLYMNSA-N 1 0 320.436 4.453 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2CC)ccc1OC ZINC000772986566 1050919737 /nfs/dbraw/zinc/91/97/37/1050919737.db2.gz ORPQETBPPBLZAP-GVDBMIGSSA-N 1 0 316.445 4.044 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3cc(C)ccc32)c1 ZINC000772986037 1050919896 /nfs/dbraw/zinc/91/98/96/1050919896.db2.gz ZDHVWHWGSHVUHR-GHTZIAJQSA-N 1 0 320.436 4.453 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000772987567 1050920654 /nfs/dbraw/zinc/92/06/54/1050920654.db2.gz KOYVNJCAYNQQOL-QGZVFWFLSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000772988920 1050934633 /nfs/dbraw/zinc/93/46/33/1050934633.db2.gz UAVFPHUGAVLIGN-QGZVFWFLSA-N 1 0 322.452 4.006 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000772988966 1050934913 /nfs/dbraw/zinc/93/49/13/1050934913.db2.gz VBNQLOMDKXXJCG-HXUWFJFHSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000772990012 1050935815 /nfs/dbraw/zinc/93/58/15/1050935815.db2.gz ZSOPQUZOPMKKSF-KRWDZBQOSA-N 1 0 309.409 4.095 20 30 DIEDRO C=CCOc1ccc(C(=O)NCC[PH+](C(C)C)C(C)C)cc1 ZINC001148469927 1050944004 /nfs/dbraw/zinc/94/40/04/1050944004.db2.gz BBHFCRLDJPWWGD-UHFFFAOYSA-N 1 0 321.401 4.280 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001148602121 1050955113 /nfs/dbraw/zinc/95/51/13/1050955113.db2.gz AHDAYGAYVLWDNL-KSZLIROESA-N 1 0 308.510 4.068 20 30 DIEDRO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000790498078 1050965371 /nfs/dbraw/zinc/96/53/71/1050965371.db2.gz XCTZDEQRDUQJFO-IRXDYDNUSA-N 1 0 316.445 4.253 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000790711916 1050989161 /nfs/dbraw/zinc/98/91/61/1050989161.db2.gz XGGLEPDZAJAXBI-INIZCTEOSA-N 1 0 305.421 4.427 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743257951 1051002607 /nfs/dbraw/zinc/00/26/07/1051002607.db2.gz JTAHBFGFTZMHKF-SFHVURJKSA-N 1 0 301.455 4.087 20 30 DIEDRO CCC[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000348210475 1051004252 /nfs/dbraw/zinc/00/42/52/1051004252.db2.gz COQPQJJJOUQOJV-INIZCTEOSA-N 1 0 303.406 4.356 20 30 DIEDRO Cc1cc2c(cc1C)[C@@H]([NH2+]CC(C)(C)CCC#N)CCCO2 ZINC000348208732 1051004846 /nfs/dbraw/zinc/00/48/46/1051004846.db2.gz AAJGPFZKKFGHIA-KRWDZBQOSA-N 1 0 300.446 4.437 20 30 DIEDRO C=CCCCCC[N@@H+](C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743371593 1051016671 /nfs/dbraw/zinc/01/66/71/1051016671.db2.gz WQLBFZAPXNKOFS-KRWDZBQOSA-N 1 0 320.864 4.249 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[C@@H](O)CC)cc1 ZINC000773014666 1051023471 /nfs/dbraw/zinc/02/34/71/1051023471.db2.gz JSICJQCQHVCWEK-HOCLYGCPSA-N 1 0 311.853 4.020 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000773019636 1051024987 /nfs/dbraw/zinc/02/49/87/1051024987.db2.gz ZIWCFJPJSRKPGL-COPLHBTASA-N 1 0 302.245 4.217 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2c(s1)CCC2 ZINC000773030149 1051030894 /nfs/dbraw/zinc/03/08/94/1051030894.db2.gz LHQAIKPFVGEZAN-NSHDSACASA-N 1 0 300.402 4.098 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1ccc(C2([NH3+])CC2)cc1 ZINC001171374086 1051038537 /nfs/dbraw/zinc/03/85/37/1051038537.db2.gz MVNSSGQFTNBABP-OAHLLOKOSA-N 1 0 308.425 4.372 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1Cl ZINC000743484360 1051038618 /nfs/dbraw/zinc/03/86/18/1051038618.db2.gz NZVAPNSTZKOPQD-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1c(F)cccc1F ZINC000791569067 1051058862 /nfs/dbraw/zinc/05/88/62/1051058862.db2.gz RMRKQHMZFVEBQK-SFHVURJKSA-N 1 0 317.379 4.077 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000773108482 1051065181 /nfs/dbraw/zinc/06/51/81/1051065181.db2.gz YYBIMRPZWFPTFW-YLJYHZDGSA-N 1 0 320.436 4.066 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000773117788 1051067057 /nfs/dbraw/zinc/06/70/57/1051067057.db2.gz WZJHEFMDMXDXDQ-DYESRHJHSA-N 1 0 315.420 4.288 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000743849916 1051074911 /nfs/dbraw/zinc/07/49/11/1051074911.db2.gz AZRDWUSUKGUVHK-XJKSGUPXSA-N 1 0 304.821 4.007 20 30 DIEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000743854156 1051076553 /nfs/dbraw/zinc/07/65/53/1051076553.db2.gz NCJGSGAXPSILFZ-KEYYUXOJSA-N 1 0 318.848 4.395 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743857955 1051080744 /nfs/dbraw/zinc/08/07/44/1051080744.db2.gz YQSWNFNTUUTSCQ-MGPUTAFESA-N 1 0 324.399 4.311 20 30 DIEDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC000743872202 1051086548 /nfs/dbraw/zinc/08/65/48/1051086548.db2.gz QRSIZXCIHXJROS-DNVCBOLYSA-N 1 0 324.424 4.464 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@H](c2ccco2)C1 ZINC000743876395 1051088914 /nfs/dbraw/zinc/08/89/14/1051088914.db2.gz ZNCPVVFKAYXWFD-QAPCUYQASA-N 1 0 310.397 4.155 20 30 DIEDRO CC(C)C1=[NH+]CCc2ccc(NCc3ccc(C#N)s3)cc21 ZINC001170202065 1051155235 /nfs/dbraw/zinc/15/52/35/1051155235.db2.gz QKURUGDDLBAVQY-UHFFFAOYSA-N 1 0 309.438 4.233 20 30 DIEDRO N#CCOc1ccccc1Nc1ccccc1C[NH+]1CCCCC1 ZINC001212600886 1051159426 /nfs/dbraw/zinc/15/94/26/1051159426.db2.gz RDQCWKINPBEBOM-UHFFFAOYSA-N 1 0 321.424 4.318 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001170257197 1051164534 /nfs/dbraw/zinc/16/45/34/1051164534.db2.gz VOWHEWORZOPQGC-ZDUSSCGKSA-N 1 0 323.827 4.225 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001171571762 1051169807 /nfs/dbraw/zinc/16/98/07/1051169807.db2.gz BBWMULDSMGZVEJ-QGZVFWFLSA-N 1 0 323.411 4.250 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001170255245 1051176049 /nfs/dbraw/zinc/17/60/49/1051176049.db2.gz CWJGEEFAVCFWMV-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170306273 1051178254 /nfs/dbraw/zinc/17/82/54/1051178254.db2.gz UCVZMSBSPAJNCT-CQSZACIVSA-N 1 0 308.422 4.094 20 30 DIEDRO C=CCCCNc1nccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001170298864 1051179804 /nfs/dbraw/zinc/17/98/04/1051179804.db2.gz SUAZPQUYPXVABV-UHFFFAOYSA-N 1 0 307.441 4.018 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170388759 1051195180 /nfs/dbraw/zinc/19/51/80/1051195180.db2.gz CRFSPJZVDQLLLQ-QHGAOEGBSA-N 1 0 307.441 4.016 20 30 DIEDRO CSC1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170388802 1051195891 /nfs/dbraw/zinc/19/58/91/1051195891.db2.gz GBLVMOIXLWNHCW-UHFFFAOYSA-N 1 0 314.498 4.218 20 30 DIEDRO N#CC1(c2ccccc2)CCC(Nc2ccc(C[NH3+])c(F)c2)CC1 ZINC001170375709 1051199432 /nfs/dbraw/zinc/19/94/32/1051199432.db2.gz DLWHJMHFGFATSI-UHFFFAOYSA-N 1 0 323.415 4.100 20 30 DIEDRO COCC#CC[NH2+][C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001171799387 1051222622 /nfs/dbraw/zinc/22/26/22/1051222622.db2.gz OPWBBHGQJNOSDD-MSOLQXFVSA-N 1 0 323.436 4.127 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792910065 1051223801 /nfs/dbraw/zinc/22/38/01/1051223801.db2.gz VIHVYYKGAMEUHR-GXTWGEPZSA-N 1 0 303.277 4.222 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC001171846740 1051230898 /nfs/dbraw/zinc/23/08/98/1051230898.db2.gz DJVHSUSFVRTXES-HNNXBMFYSA-N 1 0 318.486 4.025 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001171847045 1051231315 /nfs/dbraw/zinc/23/13/15/1051231315.db2.gz HKUYURVOHVKFCI-LAUBAEHRSA-N 1 0 309.453 4.031 20 30 DIEDRO CC(C)C[N@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC000792927705 1051232017 /nfs/dbraw/zinc/23/20/17/1051232017.db2.gz RXIOIKVHHWKXIG-GJZGRUSLSA-N 1 0 308.853 4.288 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001171847445 1051233814 /nfs/dbraw/zinc/23/38/14/1051233814.db2.gz LDTYBWVJJSQNSO-OAHLLOKOSA-N 1 0 313.363 4.416 20 30 DIEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000792976053 1051234000 /nfs/dbraw/zinc/23/40/00/1051234000.db2.gz LOJCGIKATJDFQY-ROUUACIJSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)nn1 ZINC001171921042 1051235090 /nfs/dbraw/zinc/23/50/90/1051235090.db2.gz QSUOHZSJMKJPAJ-LPHOPBHVSA-N 1 0 323.440 4.493 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccn(CCc2ccccc2)n1 ZINC001171920581 1051240341 /nfs/dbraw/zinc/24/03/41/1051240341.db2.gz JECPENQPVTYKHS-FPOVZHCZSA-N 1 0 323.484 4.350 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001171960245 1051246912 /nfs/dbraw/zinc/24/69/12/1051246912.db2.gz TVEDCOCUCCJAKK-XPKDYRNWSA-N 1 0 310.363 4.308 20 30 DIEDRO CC1(C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1c1ccccc1 ZINC000766330575 1051250437 /nfs/dbraw/zinc/25/04/37/1051250437.db2.gz VABPRXLAAMZZLJ-PKOBYXMFSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001171973631 1051265990 /nfs/dbraw/zinc/26/59/90/1051265990.db2.gz LVGBQFAORDBXIO-HIFRSBDPSA-N 1 0 310.363 4.262 20 30 DIEDRO CCCN(CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171985141 1051269703 /nfs/dbraw/zinc/26/97/03/1051269703.db2.gz RXZFZKITBDCTHM-IBGZPJMESA-N 1 0 313.489 4.055 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000793305666 1051278152 /nfs/dbraw/zinc/27/81/52/1051278152.db2.gz UHLVGLZYWUAELL-OAQYLSRUSA-N 1 0 323.411 4.395 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793333647 1051284206 /nfs/dbraw/zinc/28/42/06/1051284206.db2.gz XTABCNMIYHCLLQ-KRWDZBQOSA-N 1 0 322.493 4.278 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC001215648512 1051286898 /nfs/dbraw/zinc/28/68/98/1051286898.db2.gz VKRMMNBQKIZIIU-SFHVURJKSA-N 1 0 321.424 4.304 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)cc1 ZINC000793369106 1051289870 /nfs/dbraw/zinc/28/98/70/1051289870.db2.gz CIQKGVQMGKTURL-DOTOQJQBSA-N 1 0 300.446 4.236 20 30 DIEDRO CC[N@H+](CCCSCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000745942335 1051295162 /nfs/dbraw/zinc/29/51/62/1051295162.db2.gz HVESPRQOSGAMDF-UHFFFAOYSA-N 1 0 316.392 4.174 20 30 DIEDRO CC(C)C[N@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CCCC1 ZINC000746053511 1051313271 /nfs/dbraw/zinc/31/32/71/1051313271.db2.gz IZNQHBYZGPYRNZ-UHFFFAOYSA-N 1 0 322.456 4.280 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000793543859 1051315104 /nfs/dbraw/zinc/31/51/04/1051315104.db2.gz WPYBFSXRBTUQMX-LSDHHAIUSA-N 1 0 303.450 4.353 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000793558991 1051319097 /nfs/dbraw/zinc/31/90/97/1051319097.db2.gz XNICCGGRAQHNNZ-MRXNPFEDSA-N 1 0 300.446 4.272 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000793556350 1051319204 /nfs/dbraw/zinc/31/92/04/1051319204.db2.gz XBVXPDUVTLEYNM-QHGAOEGBSA-N 1 0 316.489 4.326 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000793559105 1051319889 /nfs/dbraw/zinc/31/98/89/1051319889.db2.gz BLPJPUQRTYHISB-OTWHNJEPSA-N 1 0 320.521 4.282 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2cccc(CC#N)c2)c1 ZINC001215726522 1051326266 /nfs/dbraw/zinc/32/62/66/1051326266.db2.gz IDONPNSWEIMDAB-UHFFFAOYSA-N 1 0 311.404 4.477 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000746139188 1051328293 /nfs/dbraw/zinc/32/82/93/1051328293.db2.gz XVORCBTZXPMIPH-UHFFFAOYSA-N 1 0 307.441 4.036 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)cc1 ZINC001203339599 1051328338 /nfs/dbraw/zinc/32/83/38/1051328338.db2.gz PJNUZGUOSPZLQD-OAQYLSRUSA-N 1 0 307.437 4.494 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301156 1051331421 /nfs/dbraw/zinc/33/14/21/1051331421.db2.gz LFFZLVRVSZEQIU-GJZGRUSLSA-N 1 0 312.844 4.363 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001172300495 1051331481 /nfs/dbraw/zinc/33/14/81/1051331481.db2.gz WKTCYDYNGMIBQZ-MRXNPFEDSA-N 1 0 322.452 4.456 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC001172301870 1051331648 /nfs/dbraw/zinc/33/16/48/1051331648.db2.gz YMIDPBMOQLBKAI-VFNWGFHPSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC(C)(C)Cc1ccccc1F ZINC001172300463 1051331916 /nfs/dbraw/zinc/33/19/16/1051331916.db2.gz WQACICWIYXYRCI-INIZCTEOSA-N 1 0 324.443 4.487 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(C)(C)Cc1ccccc1F ZINC001172300466 1051332248 /nfs/dbraw/zinc/33/22/48/1051332248.db2.gz WQACICWIYXYRCI-MRXNPFEDSA-N 1 0 324.443 4.487 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001172301295 1051332531 /nfs/dbraw/zinc/33/25/31/1051332531.db2.gz MCZBSQYVGKXNKS-DJJJIMSYSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001172305989 1051333132 /nfs/dbraw/zinc/33/31/32/1051333132.db2.gz HNYJYUIKRPQRHJ-DYESRHJHSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2cccs2)CC1 ZINC001172305839 1051333270 /nfs/dbraw/zinc/33/32/70/1051333270.db2.gz GLZWNRCTJBKMSG-HNNXBMFYSA-N 1 0 310.466 4.430 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001172303286 1051333673 /nfs/dbraw/zinc/33/36/73/1051333673.db2.gz WPOYWCGSEDGUBY-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001172305527 1051334025 /nfs/dbraw/zinc/33/40/25/1051334025.db2.gz SSNDFEYYQOYNCN-KPZWWZAWSA-N 1 0 312.363 4.045 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001172307268 1051334431 /nfs/dbraw/zinc/33/44/31/1051334431.db2.gz NMKVMXLXTVDWOG-QRWLVFNGSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(Cl)s1 ZINC001172304103 1051334456 /nfs/dbraw/zinc/33/44/56/1051334456.db2.gz HAHNDJCLQZJYSX-GFCCVEGCSA-N 1 0 304.846 4.036 20 30 DIEDRO C[NH2+]Cc1cn([C@H](C)Cc2ccc(C#N)cc2)c2ccc(C)cc12 ZINC001172310672 1051334998 /nfs/dbraw/zinc/33/49/98/1051334998.db2.gz HHNDJWNYHXFLHI-MRXNPFEDSA-N 1 0 317.436 4.345 20 30 DIEDRO Cc1ccc2cccc(C[NH2+][C@@H](C)Cc3ccc(C#N)cc3)c2n1 ZINC001172310015 1051335215 /nfs/dbraw/zinc/33/52/15/1051335215.db2.gz ZKJACGKSUFLMJF-INIZCTEOSA-N 1 0 315.420 4.136 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001172310883 1051335509 /nfs/dbraw/zinc/33/55/09/1051335509.db2.gz KZRUUHYLKGIAHE-MGPUTAFESA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001172311146 1051335910 /nfs/dbraw/zinc/33/59/10/1051335910.db2.gz QAFISAGNQCCRPM-MAUKXSAKSA-N 1 0 300.421 4.093 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172309643 1051336104 /nfs/dbraw/zinc/33/61/04/1051336104.db2.gz AZBYEJRWJZWBBH-IIBYNOLFSA-N 1 0 304.437 4.499 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001172308293 1051336440 /nfs/dbraw/zinc/33/64/40/1051336440.db2.gz JMIREXSPKJVEQH-ZDUSSCGKSA-N 1 0 313.832 4.063 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2ccccc2)CC1 ZINC001172314591 1051338116 /nfs/dbraw/zinc/33/81/16/1051338116.db2.gz KLFLDOOTAJUFEW-QGZVFWFLSA-N 1 0 304.437 4.369 20 30 DIEDRO COc1cc(C#N)ccc1Nc1ccc(C[NH2+]CC(C)C)cc1 ZINC001215745086 1051338842 /nfs/dbraw/zinc/33/88/42/1051338842.db2.gz HIDSMOKNSPYLPX-UHFFFAOYSA-N 1 0 309.413 4.056 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2ccc(C(C)(C)C#N)nc2)cc1 ZINC001215744178 1051339028 /nfs/dbraw/zinc/33/90/28/1051339028.db2.gz PFCXNHPCAXHIDN-UHFFFAOYSA-N 1 0 322.456 4.372 20 30 DIEDRO Cc1cc(C#N)cc(C#N)c1Nc1ccc(C[NH2+]CC(C)C)cc1 ZINC001215745023 1051339278 /nfs/dbraw/zinc/33/92/78/1051339278.db2.gz FOVITTRJIMJJSY-UHFFFAOYSA-N 1 0 318.424 4.228 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001172318809 1051339333 /nfs/dbraw/zinc/33/93/33/1051339333.db2.gz JFDGDKBWJDCDEH-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172320009 1051342106 /nfs/dbraw/zinc/34/21/06/1051342106.db2.gz SOGXHIAWOJKHFJ-HOTGVXAUSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1c(F)cccc1Cl ZINC001172290942 1051347836 /nfs/dbraw/zinc/34/78/36/1051347836.db2.gz GRNDYKZICZVSGB-ZDUSSCGKSA-N 1 0 316.807 4.114 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1c(F)cccc1Cl ZINC001172290941 1051347875 /nfs/dbraw/zinc/34/78/75/1051347875.db2.gz GRNDYKZICZVSGB-CYBMUJFWSA-N 1 0 316.807 4.114 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2sccc21 ZINC001172296947 1051348950 /nfs/dbraw/zinc/34/89/50/1051348950.db2.gz LLADWOUFYWMVNW-AWEZNQCLSA-N 1 0 306.434 4.494 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC001172296244 1051349700 /nfs/dbraw/zinc/34/97/00/1051349700.db2.gz GVZZGJFLCMOPSA-OLZOCXBDSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)c(Cl)c1F ZINC001172296544 1051349925 /nfs/dbraw/zinc/34/99/25/1051349925.db2.gz AQPAGAUYKRDKJQ-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001172295699 1051350135 /nfs/dbraw/zinc/35/01/35/1051350135.db2.gz DFSATYBTYRAODC-NVPAJSRCSA-N 1 0 324.390 4.448 20 30 DIEDRO COc1cccc(CC(C)(C)[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172299660 1051351169 /nfs/dbraw/zinc/35/11/69/1051351169.db2.gz MKHHIUBMLVCKOD-INIZCTEOSA-N 1 0 322.452 4.109 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001172298164 1051351228 /nfs/dbraw/zinc/35/12/28/1051351228.db2.gz FAGAKJXDYILTFL-CJNGLKHVSA-N 1 0 304.384 4.047 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1cccc(F)c1)C1CC1 ZINC001172299313 1051351262 /nfs/dbraw/zinc/35/12/62/1051351262.db2.gz JNYACEZYKDZJRL-VBKZILBWSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(C)(C)Cc1cccc(F)c1 ZINC001172299295 1051351655 /nfs/dbraw/zinc/35/16/55/1051351655.db2.gz JKCGFUXPCSCDPH-MRXNPFEDSA-N 1 0 324.443 4.487 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172299277 1051351722 /nfs/dbraw/zinc/35/17/22/1051351722.db2.gz JBSBXROHSWIZAL-JKSUJKDBSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2ccc(Cl)cc2C1 ZINC001172297086 1051351743 /nfs/dbraw/zinc/35/17/43/1051351743.db2.gz NISPTEQQNWEWQB-XOBRGWDASA-N 1 0 324.855 4.290 20 30 DIEDRO COc1cccc(C2([NH2+][C@H](C)Cc3ccc(C#N)cc3)CCC2)c1 ZINC001172297144 1051351797 /nfs/dbraw/zinc/35/17/97/1051351797.db2.gz BFUXNFTUTLAOOO-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC001172299796 1051352211 /nfs/dbraw/zinc/35/22/11/1051352211.db2.gz NXZPNJPPPZHFHP-VLIAUNLRSA-N 1 0 308.400 4.296 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172349548 1051365999 /nfs/dbraw/zinc/36/59/99/1051365999.db2.gz FFXSRFZELIFPHL-HNNXBMFYSA-N 1 0 307.434 4.009 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC001172347156 1051366309 /nfs/dbraw/zinc/36/63/09/1051366309.db2.gz SGLZEPRNSUEXFJ-KRWDZBQOSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(c2cc(C)ncn2)C1 ZINC001172352069 1051367591 /nfs/dbraw/zinc/36/75/91/1051367591.db2.gz YJFPELGSQCZGRK-QZTJIDSGSA-N 1 0 318.509 4.092 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1cncc(C(=O)OC)c1 ZINC001172350975 1051367881 /nfs/dbraw/zinc/36/78/81/1051367881.db2.gz QLTGSXASQPMPCI-QGZVFWFLSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@@H](CC)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001172355569 1051369728 /nfs/dbraw/zinc/36/97/28/1051369728.db2.gz OZLDFGRPYAAUJW-CVEARBPZSA-N 1 0 304.482 4.099 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCN(CC(F)(F)F)CC1 ZINC001172355403 1051369940 /nfs/dbraw/zinc/36/99/40/1051369940.db2.gz ODGFQSUJRCFISI-HNNXBMFYSA-N 1 0 308.432 4.305 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001172353951 1051370135 /nfs/dbraw/zinc/37/01/35/1051370135.db2.gz CKTPVHGRJUQGBA-KRWDZBQOSA-N 1 0 323.525 4.256 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(N2CCOC2=O)CC1 ZINC001172354339 1051370151 /nfs/dbraw/zinc/37/01/51/1051370151.db2.gz GRQCSXNTXFEXSL-MRXNPFEDSA-N 1 0 310.482 4.042 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(c2ccncn2)CC1 ZINC001172355610 1051370198 /nfs/dbraw/zinc/37/01/98/1051370198.db2.gz DKYMUQLOIQQJKA-KRWDZBQOSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172357213 1051371674 /nfs/dbraw/zinc/37/16/74/1051371674.db2.gz JHNXUOVAUGATFF-ROUUACIJSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C[C@H]1c2ccccc2NC1=O ZINC001172357219 1051371883 /nfs/dbraw/zinc/37/18/83/1051371883.db2.gz JLVIOTJSLUGUKF-RDJZCZTQSA-N 1 0 302.462 4.451 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CCN(C(C)=O)C2)CC1 ZINC001172359294 1051373035 /nfs/dbraw/zinc/37/30/35/1051373035.db2.gz VFKIYNHAPYMYRW-IBGZPJMESA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CC(=O)N(CC)C2)CC1 ZINC001172357122 1051373104 /nfs/dbraw/zinc/37/31/04/1051373104.db2.gz BRXBICXTBMNENN-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(N(C)C(=O)CC)CC1 ZINC001172362509 1051374794 /nfs/dbraw/zinc/37/47/94/1051374794.db2.gz ZLPRFYZBAFDRKN-KRWDZBQOSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCC[C@@H](CCC)[NH+]1CCC(C#N)(C(=O)OCC)CC1 ZINC001172383651 1051388347 /nfs/dbraw/zinc/38/83/47/1051388347.db2.gz OMUGDXYDRJMOCU-QGZVFWFLSA-N 1 0 322.493 4.294 20 30 DIEDRO CCO[C@@H](CC/[NH+]=C/c1ccc(N(CC)CC)cc1O)C(C)C ZINC000746393359 1051395202 /nfs/dbraw/zinc/39/52/02/1051395202.db2.gz KCMDZIHILPAUNK-XPFMCRKWSA-N 1 0 320.477 4.109 20 30 DIEDRO CCO[C@@H](CC/[NH+]=C\c1ccc(N(CC)CC)cc1O)C(C)C ZINC000746393358 1051395620 /nfs/dbraw/zinc/39/56/20/1051395620.db2.gz KCMDZIHILPAUNK-QIYXJHPLSA-N 1 0 320.477 4.109 20 30 DIEDRO CCO[C@H](CC/[NH+]=C\c1ccc(N(CC)CC)cc1O)C(C)C ZINC000746393355 1051396606 /nfs/dbraw/zinc/39/66/06/1051396606.db2.gz KCMDZIHILPAUNK-HZQOKBKYSA-N 1 0 320.477 4.109 20 30 DIEDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000766350676 1051398492 /nfs/dbraw/zinc/39/84/92/1051398492.db2.gz NXEIXCROLZISEY-CVEARBPZSA-N 1 0 307.441 4.426 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000766350473 1051399866 /nfs/dbraw/zinc/39/98/66/1051399866.db2.gz LUZJHXQERSKPFO-MGPUTAFESA-N 1 0 307.441 4.426 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC001172478586 1051401769 /nfs/dbraw/zinc/40/17/69/1051401769.db2.gz GKMJMZHGSAQSRU-KRWDZBQOSA-N 1 0 308.425 4.438 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001172479693 1051401880 /nfs/dbraw/zinc/40/18/80/1051401880.db2.gz JXXCVSABFUECEC-CQSZACIVSA-N 1 0 317.433 4.206 20 30 DIEDRO CCCCCCOC(=O)CCCCC[NH2+][C@H](C)CCCC#N ZINC001172487377 1051402382 /nfs/dbraw/zinc/40/23/82/1051402382.db2.gz HEKVIOLRVXWATK-QGZVFWFLSA-N 1 0 310.482 4.342 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2ccc3c(C#N)c[nH]c3c2)CC1(C)C ZINC001170450601 1051402483 /nfs/dbraw/zinc/40/24/83/1051402483.db2.gz BZZMZAIREBXDOK-UHFFFAOYSA-N 1 0 310.445 4.103 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC001172480739 1051403645 /nfs/dbraw/zinc/40/36/45/1051403645.db2.gz XIACIAUMUQJXNM-LLVKDONJSA-N 1 0 302.365 4.470 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](CC1CCOCC1)c1cccc(F)c1 ZINC001172486389 1051403928 /nfs/dbraw/zinc/40/39/28/1051403928.db2.gz DQDWJUGXRHPGJI-KXBFYZLASA-N 1 0 318.436 4.355 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC001172486270 1051404161 /nfs/dbraw/zinc/40/41/61/1051404161.db2.gz CQDLMZKWBGBXIZ-HNNXBMFYSA-N 1 0 320.864 4.060 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@]1(c2ccccc2Cl)CCCCC1=O ZINC001172484565 1051404261 /nfs/dbraw/zinc/40/42/61/1051404261.db2.gz GOGZQMJZBUZUCK-KDOFPFPSSA-N 1 0 318.848 4.350 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC001172486677 1051404444 /nfs/dbraw/zinc/40/44/44/1051404444.db2.gz CQHOQOVVIAALLQ-LRDDRELGSA-N 1 0 321.262 4.498 20 30 DIEDRO C[C@@H](CCCC#N)NC(=[NH2+])c1cc(C(F)(F)F)ccc1Cl ZINC001172486796 1051406380 /nfs/dbraw/zinc/40/63/80/1051406380.db2.gz HIWRBOWUJABNBF-VIFPVBQESA-N 1 0 317.742 4.356 20 30 DIEDRO CC(C)OCC[C@H](C)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001172447459 1051408061 /nfs/dbraw/zinc/40/80/61/1051408061.db2.gz CYABILVQNTWENL-KRWDZBQOSA-N 1 0 314.473 4.016 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CCc2c1cccc2OC(F)(F)F ZINC001172487507 1051415312 /nfs/dbraw/zinc/41/53/12/1051415312.db2.gz HWXQKYDUDLFTEP-SMDDNHRTSA-N 1 0 312.335 4.244 20 30 DIEDRO COc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CCCC#N)c1OC ZINC001172489436 1051416395 /nfs/dbraw/zinc/41/63/95/1051416395.db2.gz RRKLGLNYGBIOJS-NWDGAFQWSA-N 1 0 310.825 4.090 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(Cc2cccnc2)CCC(F)(F)CC1 ZINC001172488193 1051416999 /nfs/dbraw/zinc/41/69/99/1051416999.db2.gz QUXVTSDZKQDNOC-OAHLLOKOSA-N 1 0 321.415 4.244 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](C)Cc1cccc(Br)c1 ZINC001172487726 1051417175 /nfs/dbraw/zinc/41/71/75/1051417175.db2.gz IZFRDENRMJHVNQ-CHWSQXEVSA-N 1 0 309.251 4.052 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](c1cccnc1C(F)(F)F)C1CC1 ZINC001172492541 1051417882 /nfs/dbraw/zinc/41/78/82/1051417882.db2.gz SMGUTKRHCWLMDC-FZMZJTMJSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]CCc1ccc(Oc2ccccc2)nc1 ZINC001172494353 1051418074 /nfs/dbraw/zinc/41/80/74/1051418074.db2.gz ZHBHDQXBDBZZJU-MRXNPFEDSA-N 1 0 309.413 4.088 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CC[C@@H](OCc2ccccc2)CC1 ZINC001172492714 1051418227 /nfs/dbraw/zinc/41/82/27/1051418227.db2.gz NVWKMFFYUZLGPI-QRQLOZEOSA-N 1 0 300.446 4.186 20 30 DIEDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H](C)CCCC#N ZINC001172492556 1051418346 /nfs/dbraw/zinc/41/83/46/1051418346.db2.gz SMTQNEGNKTZMHC-KDOFPFPSSA-N 1 0 300.446 4.304 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCN(c2cccc3sccc32)CC1 ZINC001172498349 1051418520 /nfs/dbraw/zinc/41/85/20/1051418520.db2.gz LWJSQECTCSKFJV-OAHLLOKOSA-N 1 0 313.470 4.106 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](C)CCCC#N)cc1C(F)(F)F ZINC001172493849 1051418555 /nfs/dbraw/zinc/41/85/55/1051418555.db2.gz WCNWGKRYTAAPOP-GFCCVEGCSA-N 1 0 314.351 4.276 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](CC1CCOCC1)c1ccccc1F ZINC001172491850 1051418612 /nfs/dbraw/zinc/41/86/12/1051418612.db2.gz KBVVTZQQCBSMPL-HNAYVOBHSA-N 1 0 318.436 4.355 20 30 DIEDRO C[C@H](CCCC#N)[N@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001172497219 1051418727 /nfs/dbraw/zinc/41/87/27/1051418727.db2.gz ACOSBFOSTYSDIT-PSOYPTMXSA-N 1 0 324.468 4.266 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC2(C[C@@H](c3ccccc3)CO2)CC1 ZINC001172495323 1051418753 /nfs/dbraw/zinc/41/87/53/1051418753.db2.gz PCFRXHNPXTUJIE-PKOBYXMFSA-N 1 0 312.457 4.107 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC001172492739 1051419066 /nfs/dbraw/zinc/41/90/66/1051419066.db2.gz OFXASPHFBDBPKY-BLLLJJGKSA-N 1 0 321.262 4.498 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001172501523 1051420027 /nfs/dbraw/zinc/42/00/27/1051420027.db2.gz IDXJPNUSGTWOPS-ZWKOTPCHSA-N 1 0 321.509 4.153 20 30 DIEDRO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2[C@@H](C)CCCC#N)cc1 ZINC001172501593 1051420330 /nfs/dbraw/zinc/42/03/30/1051420330.db2.gz DSPRKTRHHRQUSG-MAUKXSAKSA-N 1 0 314.429 4.083 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001172498919 1051420520 /nfs/dbraw/zinc/42/05/20/1051420520.db2.gz SZYSSPITWYZORH-QGZVFWFLSA-N 1 0 313.489 4.188 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC2(CC1)OC(C)(C)c1ccccc12 ZINC001172500675 1051420606 /nfs/dbraw/zinc/42/06/06/1051420606.db2.gz OBQJCZRBAQKNTD-MRXNPFEDSA-N 1 0 312.457 4.325 20 30 DIEDRO CCCCCCCC[C@H](CC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001172501564 1051420898 /nfs/dbraw/zinc/42/08/98/1051420898.db2.gz DDRBCVLLGNOPRI-KRWDZBQOSA-N 1 0 317.477 4.020 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001172501522 1051421106 /nfs/dbraw/zinc/42/11/06/1051421106.db2.gz IDXJPNUSGTWOPS-ROUUACIJSA-N 1 0 321.509 4.153 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]CC(=O)NCc1ccco1 ZINC001172503887 1051421970 /nfs/dbraw/zinc/42/19/70/1051421970.db2.gz UAYIDMNGIPEBGB-MRXNPFEDSA-N 1 0 308.466 4.015 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001172503668 1051422186 /nfs/dbraw/zinc/42/21/86/1051422186.db2.gz ZNGGJKMIGJQJEM-IRXDYDNUSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1cn2cccnc2n1 ZINC001172502200 1051422226 /nfs/dbraw/zinc/42/22/26/1051422226.db2.gz OTLDNKUUMULILR-MRXNPFEDSA-N 1 0 302.466 4.348 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001172503260 1051422387 /nfs/dbraw/zinc/42/23/87/1051422387.db2.gz XBTCESFKUJYYJR-MRXNPFEDSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]CC1CCN(C(C)=O)CC1 ZINC001172502912 1051422584 /nfs/dbraw/zinc/42/25/84/1051422584.db2.gz UMECSUJLOWENMY-LJQANCHMSA-N 1 0 310.526 4.364 20 30 DIEDRO C[C@H](CCCC#N)[N@H+](C)Cc1cccc(Br)c1F ZINC001172503046 1051422661 /nfs/dbraw/zinc/42/26/61/1051422661.db2.gz XXXWRUXUBQIPRJ-LLVKDONJSA-N 1 0 313.214 4.102 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001172503669 1051422771 /nfs/dbraw/zinc/42/27/71/1051422771.db2.gz ZNGGJKMIGJQJEM-SJORKVTESA-N 1 0 317.539 4.025 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001172507107 1051423990 /nfs/dbraw/zinc/42/39/90/1051423990.db2.gz PEHMPSWKUQOWAG-ZDUSSCGKSA-N 1 0 324.827 4.405 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001172505743 1051424051 /nfs/dbraw/zinc/42/40/51/1051424051.db2.gz UDKVXILSTGXDLE-QGZVFWFLSA-N 1 0 309.494 4.340 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001172506718 1051425126 /nfs/dbraw/zinc/42/51/26/1051425126.db2.gz ZVVRJJNJFIQLIY-HNAYVOBHSA-N 1 0 300.421 4.188 20 30 DIEDRO CCCCOc1ccccc1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000766440497 1051425275 /nfs/dbraw/zinc/42/52/75/1051425275.db2.gz WWXTZSIOALYDSP-UHFFFAOYSA-N 1 0 324.424 4.036 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001172507780 1051425413 /nfs/dbraw/zinc/42/54/13/1051425413.db2.gz BLSIYEAUIYMANP-HZPDHXFCSA-N 1 0 305.453 4.465 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001172506717 1051425427 /nfs/dbraw/zinc/42/54/27/1051425427.db2.gz ZVVRJJNJFIQLIY-DNVCBOLYSA-N 1 0 300.421 4.188 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC001172508371 1051425441 /nfs/dbraw/zinc/42/54/41/1051425441.db2.gz CJRDRGOJICFZEA-VQHPVUNQSA-N 1 0 320.477 4.044 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCN(c2ncccn2)C1 ZINC001172506144 1051425472 /nfs/dbraw/zinc/42/54/72/1051425472.db2.gz ONIQLSONDIYMAM-MSOLQXFVSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001172510346 1051426519 /nfs/dbraw/zinc/42/65/19/1051426519.db2.gz ACJDEQATMIRLHT-SJLPKXTDSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1cc2n(n1)CCCO2 ZINC001172508935 1051426615 /nfs/dbraw/zinc/42/66/15/1051426615.db2.gz RDLRMOMMZSGJFV-MRXNPFEDSA-N 1 0 307.482 4.284 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001172509455 1051426772 /nfs/dbraw/zinc/42/67/72/1051426772.db2.gz WZKWEBDQLAYBLQ-JYJNAYRXSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001172509476 1051426787 /nfs/dbraw/zinc/42/67/87/1051426787.db2.gz XESSDKNUSBIVGX-KRWDZBQOSA-N 1 0 309.494 4.340 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172509498 1051426818 /nfs/dbraw/zinc/42/68/18/1051426818.db2.gz XZLVVFVOFMSDRO-MRXNPFEDSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCOC2(CCOCC2)C1 ZINC001172511758 1051428056 /nfs/dbraw/zinc/42/80/56/1051428056.db2.gz WINLCPRAHOIPKG-GOSISDBHSA-N 1 0 311.510 4.397 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172512081 1051428154 /nfs/dbraw/zinc/42/81/54/1051428154.db2.gz YNSVRPJRRIMIGS-FHWLQOOXSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001172512004 1051428539 /nfs/dbraw/zinc/42/85/39/1051428539.db2.gz XTVUUEMDZBDJBN-ROUUACIJSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001172511199 1051429157 /nfs/dbraw/zinc/42/91/57/1051429157.db2.gz NTELZBLKSNPORX-SFHVURJKSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001172511229 1051429078 /nfs/dbraw/zinc/42/90/78/1051429078.db2.gz OSQIQOCINRHCBG-QGZVFWFLSA-N 1 0 324.509 4.480 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001172512125 1051429207 /nfs/dbraw/zinc/42/92/07/1051429207.db2.gz ZKMTYUNGEMEFHC-RCCFBDPRSA-N 1 0 308.510 4.211 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000766492919 1051432757 /nfs/dbraw/zinc/43/27/57/1051432757.db2.gz ZEMSAKOLDWITDG-IBGZPJMESA-N 1 0 309.384 4.005 20 30 DIEDRO [NH2+]=C(N[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc2ccccc2n1 ZINC001172560120 1051440827 /nfs/dbraw/zinc/44/08/27/1051440827.db2.gz MXRZQLVWNCHEEC-QZTJIDSGSA-N 1 0 315.420 4.276 20 30 DIEDRO CCCCCCCCCCCC[C@H](C)[NH2+]C[C@H]1CNC(=O)C1 ZINC001172565517 1051445240 /nfs/dbraw/zinc/44/52/40/1051445240.db2.gz JNNHJZZCPHNKGH-ROUUACIJSA-N 1 0 310.526 4.412 20 30 DIEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001172537388 1051451985 /nfs/dbraw/zinc/45/19/85/1051451985.db2.gz PJTXUJQACBIAOZ-UXHICEINSA-N 1 0 320.436 4.253 20 30 DIEDRO COC(=O)[C@H]1CCC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001172616048 1051461017 /nfs/dbraw/zinc/46/10/17/1051461017.db2.gz KETXKXSDENQDRB-FUHWJXTLSA-N 1 0 320.477 4.047 20 30 DIEDRO C=CCOCCC[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC001203149288 1051476573 /nfs/dbraw/zinc/47/65/73/1051476573.db2.gz IALYHXDXSRXJCJ-UHFFFAOYSA-N 1 0 311.425 4.045 20 30 DIEDRO CCCCCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670007 1051478136 /nfs/dbraw/zinc/47/81/36/1051478136.db2.gz DWYMNGVSBGPZPB-LJQANCHMSA-N 1 0 316.489 4.128 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc1 ZINC000766568287 1051491025 /nfs/dbraw/zinc/49/10/25/1051491025.db2.gz OOOHDRUWGLITJW-CJNGLKHVSA-N 1 0 311.878 4.364 20 30 DIEDRO CCC1(CC)C[N@H+](Cc2ccc(C#N)cc2Cl)CCS1 ZINC001169025399 1051495297 /nfs/dbraw/zinc/49/52/97/1051495297.db2.gz UKZXQCUMQRFDNF-UHFFFAOYSA-N 1 0 308.878 4.319 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1cccc(C#N)c1 ZINC001172714305 1051496701 /nfs/dbraw/zinc/49/67/01/1051496701.db2.gz WQSXPAUIAYLRAQ-RBUKOAKNSA-N 1 0 310.828 4.420 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCOC2)cc1 ZINC000766583933 1051516769 /nfs/dbraw/zinc/51/67/69/1051516769.db2.gz XYBKCADSCANJPD-HRCADAONSA-N 1 0 323.864 4.284 20 30 DIEDRO CC1(C)C[C@@H](Nc2cc(Cl)ccc2CC#N)C[C@@](C)(C[NH3+])C1 ZINC001169144831 1051535658 /nfs/dbraw/zinc/53/56/58/1051535658.db2.gz AKTALSORGRBOES-CRAIPNDOSA-N 1 0 319.880 4.362 20 30 DIEDRO CC1(C)C[C@H](Nc2ccc3c(ccnc3C#N)c2)C[C@@](C)(C[NH3+])C1 ZINC001169153987 1051536456 /nfs/dbraw/zinc/53/64/56/1051536456.db2.gz VJKSLIOORXDUBT-OXJNMPFZSA-N 1 0 322.456 4.062 20 30 DIEDRO C=CCOCc1cccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169151211 1051536563 /nfs/dbraw/zinc/53/65/63/1051536563.db2.gz HAIUNHPUOMNGDS-AZUAARDMSA-N 1 0 316.489 4.345 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cc(C#N)cs1 ZINC001172850236 1051537745 /nfs/dbraw/zinc/53/77/45/1051537745.db2.gz VUTPYMGNOMRNBK-SNVBAGLBSA-N 1 0 308.809 4.133 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@@H](C)Cc2c(F)cccc2Cl)cc1C ZINC001172850035 1051537851 /nfs/dbraw/zinc/53/78/51/1051537851.db2.gz SGLMTNKWVWNUNY-ZDUSSCGKSA-N 1 0 318.823 4.432 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H]2C ZINC001169162017 1051540029 /nfs/dbraw/zinc/54/00/29/1051540029.db2.gz AOUBTOCGQPFVQL-CVEARBPZSA-N 1 0 320.436 4.383 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001172858264 1051543580 /nfs/dbraw/zinc/54/35/80/1051543580.db2.gz FJJIVOZHKRYRDU-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001172858266 1051544249 /nfs/dbraw/zinc/54/42/49/1051544249.db2.gz FJJIVOZHKRYRDU-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001172875370 1051558281 /nfs/dbraw/zinc/55/82/81/1051558281.db2.gz NOJDUVMVJCZTKQ-UMVBOHGHSA-N 1 0 308.878 4.493 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ccccc1C#N ZINC001172874819 1051559008 /nfs/dbraw/zinc/55/90/08/1051559008.db2.gz IVSDMNJXWZEHFU-CYBMUJFWSA-N 1 0 316.857 4.482 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC001172879246 1051562107 /nfs/dbraw/zinc/56/21/07/1051562107.db2.gz MSXZBRRKJLCPEZ-NSHDSACASA-N 1 0 306.818 4.075 20 30 DIEDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178510140 1051577175 /nfs/dbraw/zinc/57/71/75/1051577175.db2.gz HNVJUSOPDZXAIT-IBGZPJMESA-N 1 0 307.441 4.163 20 30 DIEDRO N#Cc1cc(C[NH2+]C2CCC3(CCOCC3)CC2)ccc1Cl ZINC001173046633 1051593026 /nfs/dbraw/zinc/59/30/26/1051593026.db2.gz SKYPYXVTWXPPDU-UHFFFAOYSA-N 1 0 318.848 4.041 20 30 DIEDRO Cc1[nH]c2ccc(N[C@@](C)(C#N)c3ccccc3Cl)cc2[nH+]1 ZINC001169380360 1051598491 /nfs/dbraw/zinc/59/84/91/1051598491.db2.gz AHKPRLAWVMISJE-KRWDZBQOSA-N 1 0 310.788 4.376 20 30 DIEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCC(OCCC)CC1 ZINC001173100626 1051606640 /nfs/dbraw/zinc/60/66/40/1051606640.db2.gz PSRBZEXGSUZUHX-GZNCHQMQSA-N 1 0 311.469 4.347 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1 ZINC001169475035 1051627511 /nfs/dbraw/zinc/62/75/11/1051627511.db2.gz XIWZVZUPAKWHKL-RTBURBONSA-N 1 0 317.379 4.295 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2c(C#N)ccc3ccccc32)c1F ZINC001216222883 1051631848 /nfs/dbraw/zinc/63/18/48/1051631848.db2.gz ZECLXHUNVUBSRY-UHFFFAOYSA-N 1 0 305.356 4.314 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2c(C)cc(C#N)cc2Cl)c1F ZINC001216222716 1051631899 /nfs/dbraw/zinc/63/18/99/1051631899.db2.gz SJSAJOWAVFGDLB-UHFFFAOYSA-N 1 0 303.768 4.122 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)ccc1F ZINC000493573434 1051637385 /nfs/dbraw/zinc/63/73/85/1051637385.db2.gz PBGKLHDZQYJNSI-XLIONFOSSA-N 1 0 308.400 4.198 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2cc(Cl)cc(C#N)c2)c1F ZINC001216231679 1051639087 /nfs/dbraw/zinc/63/90/87/1051639087.db2.gz OLNIYYBSHCEJNB-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(Cl)cc2C#N)c1F ZINC001216231616 1051639190 /nfs/dbraw/zinc/63/91/90/1051639190.db2.gz MLHUXFAKPVRWCN-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001169539475 1051639130 /nfs/dbraw/zinc/63/91/30/1051639130.db2.gz NRILNYAQMTXOOB-MRXNPFEDSA-N 1 0 312.457 4.359 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173230144 1051639406 /nfs/dbraw/zinc/63/94/06/1051639406.db2.gz QXRSCTQGAKGSKJ-DNVCBOLYSA-N 1 0 310.397 4.433 20 30 DIEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001169570446 1051647139 /nfs/dbraw/zinc/64/71/39/1051647139.db2.gz WVIFTHUGZQCRPG-IUODEOHRSA-N 1 0 322.399 4.464 20 30 DIEDRO C=C(C)c1ccccc1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212714849 1051647498 /nfs/dbraw/zinc/64/74/98/1051647498.db2.gz WLOJKJUQHZARQP-UHFFFAOYSA-N 1 0 307.441 4.215 20 30 DIEDRO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H](C#N)C1 ZINC001173208491 1051647550 /nfs/dbraw/zinc/64/75/50/1051647550.db2.gz AROCVYXENQQXQM-QZTJIDSGSA-N 1 0 304.437 4.443 20 30 DIEDRO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]CC1(C#N)CC1 ZINC001173212331 1051649535 /nfs/dbraw/zinc/64/95/35/1051649535.db2.gz WPEJQHJXLKZZDI-QGZVFWFLSA-N 1 0 304.437 4.490 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@H](CCCC)CC(C)C)C2)C1=O ZINC001173263277 1051663554 /nfs/dbraw/zinc/66/35/54/1051663554.db2.gz VNKSBDFINDCAMQ-UYAOXDASSA-N 1 0 320.521 4.092 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(CC#N)c(C)c1 ZINC001169691671 1051672888 /nfs/dbraw/zinc/67/28/88/1051672888.db2.gz PRRLNXHPRDLAJE-IBGZPJMESA-N 1 0 305.425 4.301 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc2[nH]c(C#N)cc21 ZINC001169699061 1051678129 /nfs/dbraw/zinc/67/81/29/1051678129.db2.gz UEMURLNPPUTDCL-KRWDZBQOSA-N 1 0 316.408 4.280 20 30 DIEDRO Cc1cc(F)cc2c1C[N@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC001169704071 1051679395 /nfs/dbraw/zinc/67/93/95/1051679395.db2.gz HBZJXPOWYBKUKW-UHFFFAOYSA-N 1 0 322.427 4.494 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001173310848 1051683812 /nfs/dbraw/zinc/68/38/12/1051683812.db2.gz ZDMLCODXEOFYHZ-WOJBJXKFSA-N 1 0 324.553 4.312 20 30 DIEDRO C=CCOC1CCC([NH2+]CCSCc2ccc(F)cc2)CC1 ZINC001173313004 1051684032 /nfs/dbraw/zinc/68/40/32/1051684032.db2.gz PQSAUIHGMKZKEQ-UHFFFAOYSA-N 1 0 323.477 4.162 20 30 DIEDRO CCCCCCCC[C@H](CCC)[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001173310863 1051684115 /nfs/dbraw/zinc/68/41/15/1051684115.db2.gz ZISUDVFOCMMBEY-HKUYNNGSSA-N 1 0 308.510 4.118 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC001173313785 1051685587 /nfs/dbraw/zinc/68/55/87/1051685587.db2.gz DZOGRWMPSXWXMB-UUKMXZOPSA-N 1 0 315.457 4.250 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001173314113 1051685913 /nfs/dbraw/zinc/68/59/13/1051685913.db2.gz IZBVBMRAKUYLEQ-HTWSVDAQSA-N 1 0 305.849 4.431 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(NC23CCC(C#N)(CC2)CC3)nc1 ZINC001169747821 1051686015 /nfs/dbraw/zinc/68/60/15/1051686015.db2.gz GCUMQUAGVNYJJA-QHGAOEGBSA-N 1 0 324.472 4.267 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C1CC(CO)(CO)C1 ZINC001173285196 1051687805 /nfs/dbraw/zinc/68/78/05/1051687805.db2.gz QDYLGXWUETXIQZ-QGZVFWFLSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+][C@@H](CO)[C@@H]1CCOC1 ZINC001173285679 1051690369 /nfs/dbraw/zinc/69/03/69/1051690369.db2.gz ZWKSBODZEPKPAN-QYZOEREBSA-N 1 0 313.526 4.283 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC001173326415 1051692650 /nfs/dbraw/zinc/69/26/50/1051692650.db2.gz YZVAFPQZQBIOCS-GQOXECLESA-N 1 0 305.425 4.233 20 30 DIEDRO N#CCC1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC001173325221 1051692926 /nfs/dbraw/zinc/69/29/26/1051692926.db2.gz DYUFLMPEEHOFIO-UHFFFAOYSA-N 1 0 321.262 4.054 20 30 DIEDRO C=CCOC1CCC([N@H+](C)Cc2nc3ccccc3s2)CC1 ZINC001173321774 1051693331 /nfs/dbraw/zinc/69/33/31/1051693331.db2.gz OWIYBBRWKLNZES-UHFFFAOYSA-N 1 0 316.470 4.242 20 30 DIEDRO C=CCOC1CCC([N@@H+](C)[C@H](C)c2ccccc2OC)CC1 ZINC001173323574 1051693398 /nfs/dbraw/zinc/69/33/98/1051693398.db2.gz DQRWCXFTGJHATQ-KLAILNCOSA-N 1 0 303.446 4.202 20 30 DIEDRO C=CCOC1CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001173322739 1051693415 /nfs/dbraw/zinc/69/34/15/1051693415.db2.gz KOXVHUDTDAYSRV-UHFFFAOYSA-N 1 0 323.480 4.264 20 30 DIEDRO Cc1cc(C[NH2+]C2CCC(CC#N)CC2)ccc1Br ZINC001173328981 1051694738 /nfs/dbraw/zinc/69/47/38/1051694738.db2.gz WOOUOHOTFKYQJG-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO Cc1ccccc1OC1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173330524 1051694797 /nfs/dbraw/zinc/69/47/97/1051694797.db2.gz BUGPZZHJLIWNKS-UHFFFAOYSA-N 1 0 312.457 4.311 20 30 DIEDRO Cc1cc(C)n(-c2ccc(C[NH2+]C3CCC(CC#N)CC3)cc2)n1 ZINC001173327688 1051695402 /nfs/dbraw/zinc/69/54/02/1051695402.db2.gz FYMWZKUEAHAKID-UHFFFAOYSA-N 1 0 322.456 4.051 20 30 DIEDRO C=CCOC1CCC([N@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC001173327176 1051695613 /nfs/dbraw/zinc/69/56/13/1051695613.db2.gz IGJGHJMMFCVORU-UHFFFAOYSA-N 1 0 307.865 4.328 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC001173335802 1051696537 /nfs/dbraw/zinc/69/65/37/1051696537.db2.gz YZURHLLUGIELMB-UHFFFAOYSA-N 1 0 300.421 4.478 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001173331892 1051696643 /nfs/dbraw/zinc/69/66/43/1051696643.db2.gz UXHHNNRNANBEPL-UHFFFAOYSA-N 1 0 307.441 4.016 20 30 DIEDRO N#CCC1CCC([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001173331001 1051696975 /nfs/dbraw/zinc/69/69/75/1051696975.db2.gz JIEZIYAOASVEAN-CNBHCMJISA-N 1 0 319.452 4.366 20 30 DIEDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)C1CCC(CC#N)CC1 ZINC001173330928 1051697136 /nfs/dbraw/zinc/69/71/36/1051697136.db2.gz HWSDVDUDUCIAPC-LRYGQEGESA-N 1 0 314.473 4.421 20 30 DIEDRO CC(C)(C[NH2+]C1CCC(CC#N)CC1)Cc1cccc(F)c1 ZINC001173334778 1051697235 /nfs/dbraw/zinc/69/72/35/1051697235.db2.gz XHSWLGPRGZTIED-UHFFFAOYSA-N 1 0 302.437 4.456 20 30 DIEDRO Cc1ccc(Cl)c(CC[NH2+]C2CCC(CC#N)CC2)c1F ZINC001173333240 1051697753 /nfs/dbraw/zinc/69/77/53/1051697753.db2.gz FNWXACJWWGOVJG-UHFFFAOYSA-N 1 0 308.828 4.392 20 30 DIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc1 ZINC000805914978 1051698935 /nfs/dbraw/zinc/69/89/35/1051698935.db2.gz UNKTVTTVSMJLPV-QGZVFWFLSA-N 1 0 316.445 4.014 20 30 DIEDRO COc1ccc(C2=CC[N@@H+](C3CCC(CC#N)CC3)CC2)cc1 ZINC001173339369 1051699461 /nfs/dbraw/zinc/69/94/61/1051699461.db2.gz GBEKWCVFWSSUKN-UHFFFAOYSA-N 1 0 310.441 4.257 20 30 DIEDRO N#CCC1CCC([N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001173338834 1051699551 /nfs/dbraw/zinc/69/95/51/1051699551.db2.gz JDCFJQHHIWFWNS-UYJHFMRCSA-N 1 0 318.461 4.388 20 30 DIEDRO C=CC[N@@H+](C)C1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170492025 1051700658 /nfs/dbraw/zinc/70/06/58/1051700658.db2.gz LQYAUGZPFYGBCE-GJZGRUSLSA-N 1 0 310.482 4.061 20 30 DIEDRO O=C1C=C2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)CCC2S1 ZINC001173346803 1051706389 /nfs/dbraw/zinc/70/63/89/1051706389.db2.gz RNYKUJDPHBSNKW-JKSUJKDBSA-N 1 0 305.487 4.154 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2cc(Cl)c(F)cc2F)CC1 ZINC001173314413 1051708028 /nfs/dbraw/zinc/70/80/28/1051708028.db2.gz QEISPNGPCIEPHM-UHFFFAOYSA-N 1 0 315.791 4.222 20 30 DIEDRO C=CCOC1CCC(n2c3ccccc3c3c2CC[C@H]([NH3+])C3)CC1 ZINC001173315007 1051708218 /nfs/dbraw/zinc/70/82/18/1051708218.db2.gz ZHUZEAHHKUUTIN-GTPINHCMSA-N 1 0 324.468 4.144 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC001173314154 1051708246 /nfs/dbraw/zinc/70/82/46/1051708246.db2.gz KJVPCPMXOGFWCD-JRSKDTKFSA-N 1 0 305.849 4.431 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(c3ccccc3OC)CCC2)CC1 ZINC001173317012 1051710404 /nfs/dbraw/zinc/71/04/04/1051710404.db2.gz RCOLSOUYZIYNHU-UHFFFAOYSA-N 1 0 315.457 4.178 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC001173316712 1051710726 /nfs/dbraw/zinc/71/07/26/1051710726.db2.gz BZWLQOHFHTUURP-FAFZWHIHSA-N 1 0 302.462 4.272 20 30 DIEDRO C=CCOC1CCC([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC001173316257 1051710744 /nfs/dbraw/zinc/71/07/44/1051710744.db2.gz ZFNGOARJWADOJQ-UHFFFAOYSA-N 1 0 309.453 4.486 20 30 DIEDRO C=CCOC1CCC([NH2+]CC2(CC3CCC3)CCOCC2)CC1 ZINC001173317419 1051710843 /nfs/dbraw/zinc/71/08/43/1051710843.db2.gz IKFRAMXUZHIKFH-UHFFFAOYSA-N 1 0 321.505 4.077 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)c2ccccc2OC)CC1 ZINC001173315886 1051711055 /nfs/dbraw/zinc/71/10/55/1051711055.db2.gz AZNPREOSNVJAIV-UHFFFAOYSA-N 1 0 303.446 4.034 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCCC1(C)C ZINC001169843240 1051711588 /nfs/dbraw/zinc/71/15/88/1051711588.db2.gz AMKVZUILQFWSQY-KRWDZBQOSA-N 1 0 318.417 4.040 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)CC1 ZINC001173317851 1051711720 /nfs/dbraw/zinc/71/17/20/1051711720.db2.gz KQUOPTWTQMIHRI-SOAGJPPSSA-N 1 0 312.457 4.359 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001173316673 1051711736 /nfs/dbraw/zinc/71/17/36/1051711736.db2.gz BCHNZGQNJHVIRC-JLAWEPINSA-N 1 0 319.876 4.301 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001173319483 1051712480 /nfs/dbraw/zinc/71/24/80/1051712480.db2.gz JNUMJCQENWPPOS-JFIBYHEFSA-N 1 0 321.411 4.446 20 30 DIEDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC001169853657 1051715183 /nfs/dbraw/zinc/71/51/83/1051715183.db2.gz GOUMYNMABSSAAJ-KXBFYZLASA-N 1 0 308.400 4.384 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001169865066 1051721749 /nfs/dbraw/zinc/72/17/49/1051721749.db2.gz XKBYAMDSHFSCFT-IUODEOHRSA-N 1 0 300.229 4.067 20 30 DIEDRO C[C@@H]1CCC[C@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC001169953450 1051736399 /nfs/dbraw/zinc/73/63/99/1051736399.db2.gz QUJOQQYQAHNKQH-AEFFLSMTSA-N 1 0 312.457 4.228 20 30 DIEDRO C#CCCC[N@@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000766907108 1051738512 /nfs/dbraw/zinc/73/85/12/1051738512.db2.gz UJQWDQLYXAWLGQ-NRFANRHFSA-N 1 0 305.421 4.208 20 30 DIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000766905412 1051741500 /nfs/dbraw/zinc/74/15/00/1051741500.db2.gz LUDMINCZHSYUID-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806174441 1051746336 /nfs/dbraw/zinc/74/63/36/1051746336.db2.gz JANHPCALJINADQ-HZPDHXFCSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806174439 1051746410 /nfs/dbraw/zinc/74/64/10/1051746410.db2.gz JANHPCALJINADQ-HOTGVXAUSA-N 1 0 315.379 4.463 20 30 DIEDRO CC1(C#N)CCC(n2c(C[NH3+])cc3cc(Cl)ccc32)CC1 ZINC001173584782 1051753712 /nfs/dbraw/zinc/75/37/12/1051753712.db2.gz LUUFFDFNUJKEQS-UHFFFAOYSA-N 1 0 301.821 4.398 20 30 DIEDRO COc1ccc(CC2([NH2+]C3CCC(C)(C#N)CC3)CCC2)cc1 ZINC001173591317 1051756074 /nfs/dbraw/zinc/75/60/74/1051756074.db2.gz OOKGMKDPROGBTQ-UHFFFAOYSA-N 1 0 312.457 4.222 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC001173588147 1051756345 /nfs/dbraw/zinc/75/63/45/1051756345.db2.gz AFYSOWZDLJJYKW-UHFFFAOYSA-N 1 0 311.454 4.372 20 30 DIEDRO Cc1ccc([C@]2(C)C[N@@H+](C3CCC(C)(C#N)CC3)CCO2)cc1 ZINC001173597681 1051757000 /nfs/dbraw/zinc/75/70/00/1051757000.db2.gz DKZXEDNCJKBPFA-MHJFOBGBSA-N 1 0 312.457 4.015 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001173596679 1051757403 /nfs/dbraw/zinc/75/74/03/1051757403.db2.gz BGKTVLOKMSBAME-XBMUEBEBSA-N 1 0 300.421 4.305 20 30 DIEDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCC(C)(C#N)CC1 ZINC001173596280 1051757450 /nfs/dbraw/zinc/75/74/50/1051757450.db2.gz QJTDOEOQCYHXDF-UHFFFAOYSA-N 1 0 311.473 4.191 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001173599923 1051757665 /nfs/dbraw/zinc/75/76/65/1051757665.db2.gz SZFYQXYLKZZHEN-UHFFFAOYSA-N 1 0 319.246 4.237 20 30 DIEDRO CC1(C#N)CCC([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001173599138 1051758132 /nfs/dbraw/zinc/75/81/32/1051758132.db2.gz GDBAEFIORYTKLB-UHFFFAOYSA-N 1 0 312.457 4.140 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(n3cnc4ccccc43)CC2)CC1 ZINC001173596713 1051758251 /nfs/dbraw/zinc/75/82/51/1051758251.db2.gz BPOLKXYBLJWKPP-UHFFFAOYSA-N 1 0 322.456 4.146 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173597745 1051758466 /nfs/dbraw/zinc/75/84/66/1051758466.db2.gz HSHYESZTIRCDDM-DMKPSLHHSA-N 1 0 300.446 4.030 20 30 DIEDRO CC1(C#N)CCC(n2c3ccc(F)cc3c3c2C[NH2+]CC3)CC1 ZINC001173601635 1051760308 /nfs/dbraw/zinc/76/03/08/1051760308.db2.gz XFPPNQWINPNONJ-UHFFFAOYSA-N 1 0 311.404 4.071 20 30 DIEDRO Cc1cc(Cl)ccc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001216430250 1051762345 /nfs/dbraw/zinc/76/23/45/1051762345.db2.gz DNFQOMFPUZLPAU-UHFFFAOYSA-N 1 0 317.845 4.313 20 30 DIEDRO C=CC[N@H+](C1CCCCC1)C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173628839 1051762436 /nfs/dbraw/zinc/76/24/36/1051762436.db2.gz VPTZZFCEKBXYJF-FDYSRKEFSA-N 1 0 319.489 4.319 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806166848 1051766708 /nfs/dbraw/zinc/76/67/08/1051766708.db2.gz YIAUMUNKUBHZJA-MRXNPFEDSA-N 1 0 314.816 4.077 20 30 DIEDRO C=CCCCCCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000806167591 1051768777 /nfs/dbraw/zinc/76/87/77/1051768777.db2.gz AVVOENGXOCDTSQ-ICSRJNTNSA-N 1 0 315.505 4.018 20 30 DIEDRO CCCCCCCC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC001173669617 1051770284 /nfs/dbraw/zinc/77/02/84/1051770284.db2.gz QJFIUAXFHRLTHJ-UHFFFAOYSA-N 1 0 308.432 4.305 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000219184125 1051774160 /nfs/dbraw/zinc/77/41/60/1051774160.db2.gz KCSXTPCAJWXUQB-JTQLQIEISA-N 1 0 318.255 4.158 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173653952 1051776258 /nfs/dbraw/zinc/77/62/58/1051776258.db2.gz PXLYZKZRPRUORE-OALUTQOASA-N 1 0 315.457 4.187 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cc(F)ccc3Cl)sc2C1 ZINC001216476732 1051780155 /nfs/dbraw/zinc/78/01/55/1051780155.db2.gz CPNWJQJHRFOQAY-UHFFFAOYSA-N 1 0 321.808 4.144 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000185725010 1051780537 /nfs/dbraw/zinc/78/05/37/1051780537.db2.gz FAHVPMNUMSMDHH-IMFGXOCKSA-N 1 0 311.473 4.413 20 30 DIEDRO C=C(C)C[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173700933 1051783638 /nfs/dbraw/zinc/78/36/38/1051783638.db2.gz RGAZICBSHOEENG-FQEVSTJZSA-N 1 0 307.437 4.289 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1OCC ZINC000185770737 1051783964 /nfs/dbraw/zinc/78/39/64/1051783964.db2.gz VQLOMSCIZJLAFS-ZOBUZTSGSA-N 1 0 316.445 4.217 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000185859919 1051788745 /nfs/dbraw/zinc/78/87/45/1051788745.db2.gz PQXWGQJSJVDDTE-QRTARXTBSA-N 1 0 316.420 4.347 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187370665 1051843621 /nfs/dbraw/zinc/84/36/21/1051843621.db2.gz USFISXBQALEDJM-GOSISDBHSA-N 1 0 303.352 4.380 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000187375191 1051844244 /nfs/dbraw/zinc/84/42/44/1051844244.db2.gz MFPLPCZHHRZIOC-GOSISDBHSA-N 1 0 303.352 4.380 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC(C)(C)C2)c1 ZINC000767919782 1051862727 /nfs/dbraw/zinc/86/27/27/1051862727.db2.gz BXGKHEXHHFOQEM-SJORKVTESA-N 1 0 300.446 4.426 20 30 DIEDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000800990853 1051862954 /nfs/dbraw/zinc/86/29/54/1051862954.db2.gz SYNPALGGMMRNJV-LBPRGKRZSA-N 1 0 300.789 4.077 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000767989491 1051870070 /nfs/dbraw/zinc/87/00/70/1051870070.db2.gz MLMQMNYAXQIHJV-MJGOQNOKSA-N 1 0 315.457 4.044 20 30 DIEDRO Cc1cc(C)c(O)c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000767988201 1051870440 /nfs/dbraw/zinc/87/04/40/1051870440.db2.gz WIEKRYRBNPBPRV-UHFFFAOYSA-N 1 0 318.420 4.170 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)O[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768010168 1051871866 /nfs/dbraw/zinc/87/18/66/1051871866.db2.gz KZNYLDPFUYABQE-LNLFQRSKSA-N 1 0 315.457 4.043 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000768094081 1051880458 /nfs/dbraw/zinc/88/04/58/1051880458.db2.gz TUALKWWGBDGHSH-IBGZPJMESA-N 1 0 306.409 4.124 20 30 DIEDRO CCCC[C@H](C)[N@H+](CCCC)CC(=O)Nc1cccc(C#N)c1 ZINC001170520760 1051888087 /nfs/dbraw/zinc/88/80/87/1051888087.db2.gz ZVHYEGRZKINIKX-INIZCTEOSA-N 1 0 315.461 4.178 20 30 DIEDRO C#CC[N@H+](Cc1cncc2ccccc21)[C@H]1CCc2ccccc21 ZINC000768129984 1051888189 /nfs/dbraw/zinc/88/81/89/1051888189.db2.gz MBQFKABBXOSCIS-QFIPXVFZSA-N 1 0 312.416 4.358 20 30 DIEDRO CCCC[C@@H](C)[N@H+](CCCC)CC(=O)Nc1cccc(C#N)c1 ZINC001170520761 1051888355 /nfs/dbraw/zinc/88/83/55/1051888355.db2.gz ZVHYEGRZKINIKX-MRXNPFEDSA-N 1 0 315.461 4.178 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(OC)c1O ZINC000768192779 1051901905 /nfs/dbraw/zinc/90/19/05/1051901905.db2.gz DIIJSBFHRROQJP-UHFFFAOYSA-N 1 0 323.845 4.304 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1cc(C#N)ccc1C(F)(F)F ZINC001173932124 1051904254 /nfs/dbraw/zinc/90/42/54/1051904254.db2.gz OGYPCGXVQYBNHS-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000768225266 1051904992 /nfs/dbraw/zinc/90/49/92/1051904992.db2.gz GDIUOKPNIUAUHA-YWZLYKJASA-N 1 0 324.399 4.454 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C2CC2)o1 ZINC000768258166 1051910718 /nfs/dbraw/zinc/91/07/18/1051910718.db2.gz RTGFJNUPGGLZLK-HNNXBMFYSA-N 1 0 310.397 4.044 20 30 DIEDRO CCC1CCC([N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000768262076 1051912093 /nfs/dbraw/zinc/91/20/93/1051912093.db2.gz GEOGFOCPJYNBDI-HJOIGYKYSA-N 1 0 300.446 4.378 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CC(C)(C)CCC#N ZINC000768357435 1051922968 /nfs/dbraw/zinc/92/29/68/1051922968.db2.gz KECYSZQREDAARI-UHFFFAOYSA-N 1 0 301.478 4.293 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCNc2ccccc2)CC1 ZINC000768407000 1051925879 /nfs/dbraw/zinc/92/58/79/1051925879.db2.gz LOYQYXWRYSGDJC-UHFFFAOYSA-N 1 0 319.452 4.092 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000768402878 1051926060 /nfs/dbraw/zinc/92/60/60/1051926060.db2.gz RMQFMBWZBACBRI-UHFFFAOYSA-N 1 0 315.420 4.052 20 30 DIEDRO CSCC[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768403090 1051926166 /nfs/dbraw/zinc/92/61/66/1051926166.db2.gz NOKBWZXDUZCGCG-FAEJEUNOSA-N 1 0 302.487 4.122 20 30 DIEDRO CCCCCCCCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439050 1051931310 /nfs/dbraw/zinc/93/13/10/1051931310.db2.gz DLFTWURZRNRFMF-SFHVURJKSA-N 1 0 321.461 4.000 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000768507910 1051935757 /nfs/dbraw/zinc/93/57/57/1051935757.db2.gz XFOWBVUQDMELQS-UHFFFAOYSA-N 1 0 308.303 4.192 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000768549749 1051942011 /nfs/dbraw/zinc/94/20/11/1051942011.db2.gz CYYOQEVYOKLOSS-UHFFFAOYSA-N 1 0 319.452 4.225 20 30 DIEDRO C#Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000768662939 1051953152 /nfs/dbraw/zinc/95/31/52/1051953152.db2.gz DWSDMZLVIQMFGS-DYESRHJHSA-N 1 0 304.437 4.133 20 30 DIEDRO Clc1cccc(N2CCCC2)c1C=[NH+]NCC1CCCC1 ZINC000808006699 1051964838 /nfs/dbraw/zinc/96/48/38/1051964838.db2.gz YEEIDCAEZBHERJ-UHFFFAOYSA-N 1 0 305.853 4.054 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCCCc2ccccc2)cc1 ZINC000768871978 1051974438 /nfs/dbraw/zinc/97/44/38/1051974438.db2.gz PBFWUZXTTDIQTE-SFHVURJKSA-N 1 0 322.452 4.432 20 30 DIEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000743854153 1051976108 /nfs/dbraw/zinc/97/61/08/1051976108.db2.gz NCJGSGAXPSILFZ-CKEIUWERSA-N 1 0 318.848 4.395 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000768957268 1051989074 /nfs/dbraw/zinc/98/90/74/1051989074.db2.gz QVHSXVTZCNVKAA-ROUUACIJSA-N 1 0 308.510 4.070 20 30 DIEDRO C#CC[N@H+](Cc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000769145671 1052000766 /nfs/dbraw/zinc/00/07/66/1052000766.db2.gz MRSBBHASGKIYGT-UHFFFAOYSA-N 1 0 310.441 4.137 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000192153193 1052001339 /nfs/dbraw/zinc/00/13/39/1052001339.db2.gz AELKOGRWJSSORV-JTQLQIEISA-N 1 0 306.743 4.341 20 30 DIEDRO C#CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)C1CCCCC1 ZINC000769146390 1052002160 /nfs/dbraw/zinc/00/21/60/1052002160.db2.gz UXSQMHZTTXANMB-UHFFFAOYSA-N 1 0 321.424 4.037 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000808429359 1052019155 /nfs/dbraw/zinc/01/91/55/1052019155.db2.gz JOPWIFZHANKIFU-UHFFFAOYSA-N 1 0 300.446 4.210 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000808419859 1052020635 /nfs/dbraw/zinc/02/06/35/1052020635.db2.gz YZHWIKVXHBTXHO-UHFFFAOYSA-N 1 0 322.456 4.185 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000808419437 1052020694 /nfs/dbraw/zinc/02/06/94/1052020694.db2.gz RXJCKGOKSPOIIH-UHFFFAOYSA-N 1 0 312.461 4.110 20 30 DIEDRO C=CC1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000769402084 1052038815 /nfs/dbraw/zinc/03/88/15/1052038815.db2.gz USMFYOYRLCEMRD-UHFFFAOYSA-N 1 0 301.459 4.015 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)cc1 ZINC000769427763 1052046942 /nfs/dbraw/zinc/04/69/42/1052046942.db2.gz WYKQYUXVQDMHDX-INIZCTEOSA-N 1 0 320.436 4.271 20 30 DIEDRO CCC[C@]1(C)CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769452545 1052057976 /nfs/dbraw/zinc/05/79/76/1052057976.db2.gz XLOGFXIPPSLNIC-QFBILLFUSA-N 1 0 300.446 4.380 20 30 DIEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769466164 1052060928 /nfs/dbraw/zinc/06/09/28/1052060928.db2.gz IIPNYDAJJALVCO-FRQCXROJSA-N 1 0 300.446 4.378 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C3CCCC3)CC2)cc1 ZINC000769503290 1052069253 /nfs/dbraw/zinc/06/92/53/1052069253.db2.gz WPSNOVLRRRHPPX-MRXNPFEDSA-N 1 0 312.457 4.380 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@@H]1c1ccccc1 ZINC000769539770 1052077782 /nfs/dbraw/zinc/07/77/82/1052077782.db2.gz MQDOJRILNLXHTF-UWJYYQICSA-N 1 0 319.452 4.229 20 30 DIEDRO C#CCCOc1ccc(C[N@H+]2CCCC[C@H]2c2cccn2C)cc1 ZINC000769537660 1052077810 /nfs/dbraw/zinc/07/78/10/1052077810.db2.gz ODAHEFPPBKNZQA-NRFANRHFSA-N 1 0 322.452 4.154 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)[C@H](O)c1ccccc1 ZINC000808721995 1052080452 /nfs/dbraw/zinc/08/04/52/1052080452.db2.gz XDKIMXZEMVWPML-JHVJFLLYSA-N 1 0 320.436 4.037 20 30 DIEDRO CCC[C@H](C=[NH+]n1cnnc1-c1ccccc1)c1ccccc1 ZINC000769568625 1052083840 /nfs/dbraw/zinc/08/38/40/1052083840.db2.gz BDPOQLXXDZIWGD-GOSISDBHSA-N 1 0 304.397 4.363 20 30 DIEDRO CC[N@H+](CCCCC(C)(C)C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000769729378 1052099949 /nfs/dbraw/zinc/09/99/49/1052099949.db2.gz OSOJCADGDGWEDT-GOSISDBHSA-N 1 0 302.462 4.070 20 30 DIEDRO CCSc1cccc(C[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000769915715 1052120989 /nfs/dbraw/zinc/12/09/89/1052120989.db2.gz AUDFNGIIXDYULD-UHFFFAOYSA-N 1 0 300.402 4.099 20 30 DIEDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000769952210 1052128087 /nfs/dbraw/zinc/12/80/87/1052128087.db2.gz DLDLHWGABLDLKF-GJZGRUSLSA-N 1 0 324.399 4.236 20 30 DIEDRO C=CCCCC[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000769936138 1052134152 /nfs/dbraw/zinc/13/41/52/1052134152.db2.gz JPGJLDVOTJHGAS-UHFFFAOYSA-N 1 0 306.841 4.112 20 30 DIEDRO C[Si](C)(C)C#C[C@H](OCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217833532 1052151234 /nfs/dbraw/zinc/15/12/34/1052151234.db2.gz OUJNITFSQUFXAE-MJGOQNOKSA-N 1 0 315.533 4.015 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](OCCC1CC[NH2+]CC1)c1ccccc1 ZINC001217834692 1052151686 /nfs/dbraw/zinc/15/16/86/1052151686.db2.gz USMDRJXGBANWIF-LJQANCHMSA-N 1 0 315.533 4.015 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](OCc1ccccc1C[NH3+])c1ccccc1 ZINC001217830904 1052151820 /nfs/dbraw/zinc/15/18/20/1052151820.db2.gz FFZQDLVLPQNCNO-HXUWFJFHSA-N 1 0 323.512 4.284 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1OCc1ccc(Sc2ccccc2)cc1 ZINC001217831541 1052152076 /nfs/dbraw/zinc/15/20/76/1052152076.db2.gz HTQKXMYWALEWIZ-LJQANCHMSA-N 1 0 311.450 4.273 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757031 1052152923 /nfs/dbraw/zinc/15/29/23/1052152923.db2.gz GWXRHGXRSQXNAO-VQTJNVASSA-N 1 0 306.409 4.083 20 30 DIEDRO F[C@H]1[C@H]2CC[C@@H](C[C@@H]1O/C(=N/c1ccccc1)c1ccccc1)[NH2+]2 ZINC001217858807 1052156959 /nfs/dbraw/zinc/15/69/59/1052156959.db2.gz WBQKKFRWABFGMT-CNYWKSTFSA-N 1 0 324.399 4.013 20 30 DIEDRO C=C[C@H](CCCCCCC)OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217885180 1052162647 /nfs/dbraw/zinc/16/26/47/1052162647.db2.gz ZVABRXVOWGXWEX-MOPGFXCFSA-N 1 0 323.521 4.467 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)OCCC[C@@H]1CCC[NH2+]C1 ZINC001217889572 1052164528 /nfs/dbraw/zinc/16/45/28/1052164528.db2.gz PBPSIKCNFAMTGD-SJORKVTESA-N 1 0 303.446 4.109 20 30 DIEDRO CCCCCCCCC[C@@H](C)OC[C@@H]1C[C@@H]2C[NH2+]CC[C@@H]2O1 ZINC001217895959 1052165621 /nfs/dbraw/zinc/16/56/21/1052165621.db2.gz NNWGPIUOSDQNBP-YRXWBPOGSA-N 1 0 311.510 4.299 20 30 DIEDRO C=C[C@]1(C)CC[C@H](OCCCCC2CC[NH2+]CC2)C(C)(C)O1 ZINC001217897357 1052167821 /nfs/dbraw/zinc/16/78/21/1052167821.db2.gz XAOJGWZMTUINEU-PKOBYXMFSA-N 1 0 309.494 4.075 20 30 DIEDRO CCCCCCCCC[C@@H](C)OC[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001217897162 1052167876 /nfs/dbraw/zinc/16/78/76/1052167876.db2.gz NNWGPIUOSDQNBP-HCXYKTFWSA-N 1 0 311.510 4.299 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCc1csc(-c2ccccc2)n1 ZINC001217926937 1052172153 /nfs/dbraw/zinc/17/21/53/1052172153.db2.gz MUIBJDRYRNNMKC-IAGOWNOFSA-N 1 0 314.454 4.023 20 30 DIEDRO C(#C[C@H](OCCC1CC[NH2+]CC1)c1ccccc1)c1ccccc1 ZINC001217927685 1052172286 /nfs/dbraw/zinc/17/22/86/1052172286.db2.gz JRXSQEGDMDXQAE-QFIPXVFZSA-N 1 0 319.448 4.186 20 30 DIEDRO CC1(C)C[C@H](O/C(=N/c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC001217939202 1052174975 /nfs/dbraw/zinc/17/49/75/1052174975.db2.gz UXIPSIYHXLGZST-QTTZHIOCSA-N 1 0 308.425 4.312 20 30 DIEDRO O=C(/C=C/c1ccc(O[C@H]2CCCC[NH2+]C2)cc1)c1ccccc1 ZINC001217970422 1052177444 /nfs/dbraw/zinc/17/74/44/1052177444.db2.gz MYRXSUBYFQAYIM-IXDOJHRFSA-N 1 0 321.420 4.104 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@H]3CCCC[NH2+]C3)cc2)cc1 ZINC001217970415 1052178473 /nfs/dbraw/zinc/17/84/73/1052178473.db2.gz MXFCDEZDSSXOIS-MEGCXXLRSA-N 1 0 312.388 4.097 20 30 DIEDRO O=C(/C=C/c1ccccc1)c1ccc(O[C@@H]2CCC[NH2+]CC2)cc1 ZINC001217994848 1052182531 /nfs/dbraw/zinc/18/25/31/1052182531.db2.gz CGJKKXJYWJQPFU-BNOPAZPUSA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@H]1C[C@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)CC[NH2+]1 ZINC001218054731 1052189963 /nfs/dbraw/zinc/18/99/63/1052189963.db2.gz FWOLFXRJFIBXIH-XBOKISCZSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]1C[C@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001218055733 1052191250 /nfs/dbraw/zinc/19/12/50/1052191250.db2.gz JGCOMYQBTQBBGL-KVEUKBCBSA-N 1 0 321.420 4.102 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@@H]2CC[NH2+]C[C@@H]2F)cc1 ZINC001218066525 1052192697 /nfs/dbraw/zinc/19/26/97/1052192697.db2.gz LTFUDMVEXUTMGI-PKOBYXMFSA-N 1 0 321.436 4.309 20 30 DIEDRO N#Cc1ccc(-c2cccc(O[C@@H]3CCC34CC[NH2+]CC4)c2)cc1 ZINC001218080553 1052193617 /nfs/dbraw/zinc/19/36/17/1052193617.db2.gz MRHKYPHNDOYNDM-HXUWFJFHSA-N 1 0 318.420 4.136 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)CC2 ZINC000495001589 1052194576 /nfs/dbraw/zinc/19/45/76/1052194576.db2.gz XYBOPDLDYBFYNS-WMLDXEAASA-N 1 0 304.384 4.351 20 30 DIEDRO N#Cc1cccc(-c2ccc(O[C@H]3CCC[C@@]34CC[NH2+]C4)cc2)c1 ZINC001218093924 1052196051 /nfs/dbraw/zinc/19/60/51/1052196051.db2.gz LXONTYYGWNYONW-SFTDATJTSA-N 1 0 318.420 4.136 20 30 DIEDRO C(=N/c1ccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)cc1)\c1ccccc1 ZINC001218096770 1052196450 /nfs/dbraw/zinc/19/64/50/1052196450.db2.gz SOOZPEXHZDRNDD-ASIXBHFTSA-N 1 0 320.436 4.348 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@H]2CC[C@]23CC[NH2+]C3)cc1 ZINC001218116512 1052198681 /nfs/dbraw/zinc/19/86/81/1052198681.db2.gz KJVJXPYRMVXEBS-VQTJNVASSA-N 1 0 324.399 4.097 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000495066902 1052206548 /nfs/dbraw/zinc/20/65/48/1052206548.db2.gz NMPDRZGRYLFTMI-BEFAXECRSA-N 1 0 315.844 4.204 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@H](C)C2C[NH2+]C2)cc1 ZINC001218197167 1052206790 /nfs/dbraw/zinc/20/67/90/1052206790.db2.gz ZQYLJHWTCSCWEM-OAHLLOKOSA-N 1 0 303.446 4.217 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(-c2nc3ccccc3s2)cc1 ZINC001218205617 1052207697 /nfs/dbraw/zinc/20/76/97/1052207697.db2.gz GEFPRVCQZDWVHJ-KRWDZBQOSA-N 1 0 322.433 4.260 20 30 DIEDRO C[Si](C)(C)C#C[C@H](Oc1cccc(C[NH3+])c1)c1ccccc1 ZINC001218214887 1052209099 /nfs/dbraw/zinc/20/90/99/1052209099.db2.gz QHYRLNFAGVZWNY-IBGZPJMESA-N 1 0 309.485 4.146 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)cc2)cc1 ZINC001218251188 1052212853 /nfs/dbraw/zinc/21/28/53/1052212853.db2.gz RANGJUZFPMXDMQ-IKOFVNELSA-N 1 0 324.399 4.096 20 30 DIEDRO N#Cc1ccc(-c2ccc(OC3CC4(C3)CCC[NH2+]C4)cc2)cc1 ZINC001218252118 1052213422 /nfs/dbraw/zinc/21/34/22/1052213422.db2.gz OHKDFACWFLZADI-UHFFFAOYSA-N 1 0 318.420 4.136 20 30 DIEDRO N#Cc1ccc(-c2cccc(O[C@@H]3CC[NH2+]C4(CCC4)C3)c2)cc1 ZINC001218308117 1052221499 /nfs/dbraw/zinc/22/14/99/1052221499.db2.gz AJZUFNIMAVHIAE-HXUWFJFHSA-N 1 0 318.420 4.279 20 30 DIEDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001218317964 1052224183 /nfs/dbraw/zinc/22/41/83/1052224183.db2.gz WEODKULNUBAOLZ-VZMFNRANSA-N 1 0 308.425 4.204 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Oc1ccc2c(c1C)CC[NH2+]C2 ZINC001218349192 1052229508 /nfs/dbraw/zinc/22/95/08/1052229508.db2.gz ZIYOSTFAAYWVGR-MRXNPFEDSA-N 1 0 323.436 4.346 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218348925 1052229694 /nfs/dbraw/zinc/22/96/94/1052229694.db2.gz WSGABCVBFWIKLK-MDASCCDHSA-N 1 0 309.409 4.206 20 30 DIEDRO C[C@@H]1CC[C@@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C[NH2+]1 ZINC001218409139 1052236052 /nfs/dbraw/zinc/23/60/52/1052236052.db2.gz WZAMEKXPEJYTRI-RSUDIUTQSA-N 1 0 321.420 4.102 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2c(c1)[nH]c1ccccc12 ZINC001218455669 1052241140 /nfs/dbraw/zinc/24/11/40/1052241140.db2.gz ORZFOGGSPBCLSY-UYAOXDASSA-N 1 0 306.409 4.397 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2c(c1)[nH]c1c2ccnc1C ZINC001218456787 1052241725 /nfs/dbraw/zinc/24/17/25/1052241725.db2.gz XQHCECNEKNSVDK-IEBWSBKVSA-N 1 0 321.424 4.100 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc2cccc(Cl)c2s1 ZINC001218457165 1052242045 /nfs/dbraw/zinc/24/20/45/1052242045.db2.gz HFLDLMVIDLPFIO-DGCLKSJQSA-N 1 0 308.834 4.025 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cnc(CC(C)C)s1 ZINC000495167535 1052242320 /nfs/dbraw/zinc/24/23/20/1052242320.db2.gz QSLRUWKTZJUCQI-UHFFFAOYSA-N 1 0 304.459 4.165 20 30 DIEDRO CC1(C)C[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)CC[NH2+]1 ZINC001218478862 1052244626 /nfs/dbraw/zinc/24/46/26/1052244626.db2.gz PRFBLCRSKHNIPN-LJQANCHMSA-N 1 0 306.409 4.135 20 30 DIEDRO N#Cc1cc(Cl)c(O[C@H]2C[NH2+]Cc3ccccc32)c(Cl)c1 ZINC001218485293 1052246352 /nfs/dbraw/zinc/24/63/52/1052246352.db2.gz GYRLHWAYNULUKY-HNNXBMFYSA-N 1 0 319.191 4.088 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccnc(SCC)c2)cc1 ZINC000495178911 1052248119 /nfs/dbraw/zinc/24/81/19/1052248119.db2.gz WJRIKRWRKRVPAG-UHFFFAOYSA-N 1 0 314.454 4.048 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218710649 1052254301 /nfs/dbraw/zinc/25/43/01/1052254301.db2.gz GTWIRKYRPIOETC-UONOGXRCSA-N 1 0 307.438 4.034 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cc(C)nc2sccc21 ZINC001218759656 1052256038 /nfs/dbraw/zinc/25/60/38/1052256038.db2.gz NNPAQIFWIWRFLM-AWEZNQCLSA-N 1 0 317.458 4.007 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cc(OC(C)C)ccc1C ZINC001218970167 1052265501 /nfs/dbraw/zinc/26/55/01/1052265501.db2.gz NIORIZOJQKIIKX-KRWDZBQOSA-N 1 0 318.461 4.185 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@@H](C)Cc1ccsc1 ZINC000495262269 1052278655 /nfs/dbraw/zinc/27/86/55/1052278655.db2.gz OPOPSORLZPMXTL-ZDUSSCGKSA-N 1 0 302.418 4.212 20 30 DIEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(Br)cc2C#N)C1 ZINC000311814054 1052284408 /nfs/dbraw/zinc/28/44/08/1052284408.db2.gz HALRFQWGZVNJNR-MLGOLLRUSA-N 1 0 321.262 4.331 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000315386292 1052336760 /nfs/dbraw/zinc/33/67/60/1052336760.db2.gz KOLDVOQSRKJNMF-ZACQAIPSSA-N 1 0 300.446 4.456 20 30 DIEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000315548636 1052343985 /nfs/dbraw/zinc/34/39/85/1052343985.db2.gz WXDQLUMBDKDYDV-QZTJIDSGSA-N 1 0 300.446 4.283 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2ccc(C#N)cc2)c(O)c1 ZINC000915113165 1052351365 /nfs/dbraw/zinc/35/13/65/1052351365.db2.gz PLRSQNARSQSJAT-WXUSHSQQSA-N 1 0 321.424 4.290 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000315889944 1052355826 /nfs/dbraw/zinc/35/58/26/1052355826.db2.gz PMRFMMPWNGECOY-JKSUJKDBSA-N 1 0 306.498 4.404 20 30 DIEDRO Cc1ccc(CC[NH2+]Cc2cccc(OCCCC#N)c2)c(C)c1 ZINC000237714491 1052444052 /nfs/dbraw/zinc/44/40/52/1052444052.db2.gz AYWNVPLBKYLQEA-UHFFFAOYSA-N 1 0 322.452 4.318 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000387193288 1052493449 /nfs/dbraw/zinc/49/34/49/1052493449.db2.gz HGVIQULCAPGRJM-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO CCC(C)(C)C1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763226499 1052548630 /nfs/dbraw/zinc/54/86/30/1052548630.db2.gz ZAFSMHGYYZUNBT-ACBHZAAOSA-N 1 0 314.473 4.176 20 30 DIEDRO C[C@H]([NH2+]C(C)(C)CNc1cccc(F)c1C#N)c1ccccc1 ZINC000488064859 1052571069 /nfs/dbraw/zinc/57/10/69/1052571069.db2.gz IEVFQVPUYCIXKK-AWEZNQCLSA-N 1 0 311.404 4.239 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc3ncsc3c2)ccc1C#N ZINC000488067143 1052572617 /nfs/dbraw/zinc/57/26/17/1052572617.db2.gz PORWUUWFQHGJIY-CYBMUJFWSA-N 1 0 307.422 4.327 20 30 DIEDRO C[C@H](C/N=C/c1c(O)ccc2ccccc21)[NH+]1CCCCCC1 ZINC000915979693 1052573428 /nfs/dbraw/zinc/57/34/28/1052573428.db2.gz JBHNOTNNOKMDSD-GXPOEHQZSA-N 1 0 310.441 4.229 20 30 DIEDRO N#Cc1ccc([N-][NH+]=Cc2c(Cl)cccc2N2CCCC2)cc1 ZINC000763354522 1052589651 /nfs/dbraw/zinc/58/96/51/1052589651.db2.gz QDHWRGFFORADCQ-UHFFFAOYSA-N 1 0 324.815 4.258 20 30 DIEDRO Cc1cccc([C@H](C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000153981257 1052607135 /nfs/dbraw/zinc/60/71/35/1052607135.db2.gz AQZZZDXWPXUFDF-IAGOWNOFSA-N 1 0 308.425 4.179 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)ccc1C#N ZINC000488148099 1052629110 /nfs/dbraw/zinc/62/91/10/1052629110.db2.gz XFBKPMPOKFUIIW-KRWDZBQOSA-N 1 0 324.449 4.166 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)ccc1C#N ZINC000488159820 1052629886 /nfs/dbraw/zinc/62/98/86/1052629886.db2.gz QYCBGNGWWPSOEQ-HXUWFJFHSA-N 1 0 318.420 4.104 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000123772285 1052634448 /nfs/dbraw/zinc/63/44/48/1052634448.db2.gz SDDQTPGBQXCMBU-UHFFFAOYSA-N 1 0 300.789 4.336 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)CCCOc2ccc(C#N)cc2)cc1 ZINC000916977394 1052676261 /nfs/dbraw/zinc/67/62/61/1052676261.db2.gz GLPWNXLZZOAELU-INIZCTEOSA-N 1 0 324.424 4.029 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000916989104 1052677584 /nfs/dbraw/zinc/67/75/84/1052677584.db2.gz YXAKNTCFPWWIFR-UHFFFAOYSA-N 1 0 324.399 4.131 20 30 DIEDRO C=C(C)CCCO[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001224280898 1052685410 /nfs/dbraw/zinc/68/54/10/1052685410.db2.gz GCFDFCPHYJSBCB-CYBMUJFWSA-N 1 0 314.882 4.134 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000066236827 1052686710 /nfs/dbraw/zinc/68/67/10/1052686710.db2.gz AXUVZNQTXRWQDA-AWEZNQCLSA-N 1 0 315.388 4.250 20 30 DIEDRO N#CCCCCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001224369572 1052691201 /nfs/dbraw/zinc/69/12/01/1052691201.db2.gz LFGQDRVTBAHKRC-UHFFFAOYSA-N 1 0 300.446 4.142 20 30 DIEDRO C=CCCCCCCO[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001224360131 1052691456 /nfs/dbraw/zinc/69/14/56/1052691456.db2.gz NLLOPFIBTJIGJI-QZTJIDSGSA-N 1 0 302.462 4.370 20 30 DIEDRO C=CCCCCCO[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001224428305 1052696027 /nfs/dbraw/zinc/69/60/27/1052696027.db2.gz UTKBKJFWJDNIDM-ROUUACIJSA-N 1 0 302.462 4.370 20 30 DIEDRO C=CCCCCCO[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001224428306 1052696324 /nfs/dbraw/zinc/69/63/24/1052696324.db2.gz UTKBKJFWJDNIDM-ZWKOTPCHSA-N 1 0 302.462 4.370 20 30 DIEDRO N#CCCCCCO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224689802 1052716550 /nfs/dbraw/zinc/71/65/50/1052716550.db2.gz ITSFNULJLNLUKP-MRXNPFEDSA-N 1 0 306.837 4.015 20 30 DIEDRO C=CCN(Cn1c2ccccc2n(C(F)F)c1=S)C(C)C ZINC000917481514 1052729423 /nfs/dbraw/zinc/72/94/23/1052729423.db2.gz MNUUMNSLHVMKIH-UHFFFAOYSA-N 1 0 311.401 4.421 20 30 DIEDRO c1ccc2nc(N=NC3CC[NH+](C4CCCC4)CC3)ccc2c1 ZINC000917532893 1052736203 /nfs/dbraw/zinc/73/62/03/1052736203.db2.gz ZTDULMSVOKPPSW-UHFFFAOYSA-N 1 0 308.429 4.041 20 30 DIEDRO C=C[C@@H](CC)OC[C@@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001225152597 1052750398 /nfs/dbraw/zinc/75/03/98/1052750398.db2.gz WXCLQBUCYNFNHF-AZUAARDMSA-N 1 0 317.473 4.037 20 30 DIEDRO N#Cc1ccccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001225199711 1052753763 /nfs/dbraw/zinc/75/37/63/1052753763.db2.gz SUBAGJASCOTMKK-ACDBMABISA-N 1 0 318.420 4.133 20 30 DIEDRO N#Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001225247800 1052762783 /nfs/dbraw/zinc/76/27/83/1052762783.db2.gz WZKXTAKYNLPSEV-KXTWHKPSSA-N 1 0 318.420 4.133 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc(CC#N)cc1 ZINC001225263568 1052766156 /nfs/dbraw/zinc/76/61/56/1052766156.db2.gz GQKKAZIPMCAZIE-DYESRHJHSA-N 1 0 320.436 4.042 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(CC#N)cc1 ZINC001225266550 1052766368 /nfs/dbraw/zinc/76/63/68/1052766368.db2.gz LKLPSJQPDXXACY-DYESRHJHSA-N 1 0 320.436 4.042 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC001225334242 1052775433 /nfs/dbraw/zinc/77/54/33/1052775433.db2.gz MZCUFSAJUSMSMR-LJQANCHMSA-N 1 0 306.409 4.088 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(C[NH+](C)C)cc2)O1 ZINC001225335276 1052776166 /nfs/dbraw/zinc/77/61/66/1052776166.db2.gz YUTTYGQTSABREN-HKUYNNGSSA-N 1 0 303.446 4.029 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1F)Cc1cc2c(cc1O)CCC2 ZINC000918182463 1052786732 /nfs/dbraw/zinc/78/67/32/1052786732.db2.gz RQJVEAWNUYKSRE-UHFFFAOYSA-N 1 0 311.400 4.208 20 30 DIEDRO CCCCCCOc1ccc(C[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000780556157 1052794395 /nfs/dbraw/zinc/79/43/95/1052794395.db2.gz ULJJBEKRLISJMQ-UHFFFAOYSA-N 1 0 323.440 4.202 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000069681718 1052798334 /nfs/dbraw/zinc/79/83/34/1052798334.db2.gz QJOXNSFKNCSFCX-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO CC[N@H+](Cc1cc2cccnc2o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000556140086 1052808450 /nfs/dbraw/zinc/80/84/50/1052808450.db2.gz ZOOBSWSKMKDIED-AWEZNQCLSA-N 1 0 305.381 4.283 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000129906719 1052814282 /nfs/dbraw/zinc/81/42/82/1052814282.db2.gz QCMDRGJQWIXNIN-NRFANRHFSA-N 1 0 322.452 4.040 20 30 DIEDRO CCCCCCCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000918698252 1052824037 /nfs/dbraw/zinc/82/40/37/1052824037.db2.gz ZHUDAQXVKJUFCZ-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO C[C@@H]([C@H](Oc1ccc(C#N)cc1F)c1ccccc1)[NH+]1CCCC1 ZINC001226049974 1052863953 /nfs/dbraw/zinc/86/39/53/1052863953.db2.gz NDQSMSJDHSLIHR-YWZLYKJASA-N 1 0 324.399 4.302 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000556611769 1052871533 /nfs/dbraw/zinc/87/15/33/1052871533.db2.gz WLEDZNOTJMHNCQ-MQIPJXDCSA-N 1 0 323.278 4.486 20 30 DIEDRO C=C(C)n1c2ccccc2nc1OC1CC[NH+](C(C)(C)C)CC1 ZINC001226218155 1052877960 /nfs/dbraw/zinc/87/79/60/1052877960.db2.gz DFVPXYIJVBUQKL-UHFFFAOYSA-N 1 0 313.445 4.169 20 30 DIEDRO CCCCCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000919654825 1052880316 /nfs/dbraw/zinc/88/03/16/1052880316.db2.gz OCECDKXIAKHOCZ-QZTJIDSGSA-N 1 0 323.525 4.005 20 30 DIEDRO CCCCCCCCC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000919698946 1052882806 /nfs/dbraw/zinc/88/28/06/1052882806.db2.gz FQBVJRNBCBYIEJ-UHFFFAOYSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000919762323 1052887749 /nfs/dbraw/zinc/88/77/49/1052887749.db2.gz IKJDBOPPCUOYTE-IEBWSBKVSA-N 1 0 316.489 4.299 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000556845609 1052888435 /nfs/dbraw/zinc/88/84/35/1052888435.db2.gz LAQFGMYVHDESMZ-UHFFFAOYSA-N 1 0 318.486 4.181 20 30 DIEDRO Cc1cc(C#N)cc(C)c1O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001226528007 1052907077 /nfs/dbraw/zinc/90/70/77/1052907077.db2.gz VBQBLRTYNCBWEV-IBGZPJMESA-N 1 0 308.425 4.247 20 30 DIEDRO Cc1ccc(C#N)c(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001226755957 1052928043 /nfs/dbraw/zinc/92/80/43/1052928043.db2.gz HODMQRAYBRNRHL-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO c1cnc2cccc(N=NC3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000920373949 1052936349 /nfs/dbraw/zinc/93/63/49/1052936349.db2.gz OEVOROMIPNEXSF-UHFFFAOYSA-N 1 0 322.456 4.431 20 30 DIEDRO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC001226920702 1052945498 /nfs/dbraw/zinc/94/54/98/1052945498.db2.gz WISVIOGQIABLKJ-YLJYHZDGSA-N 1 0 320.436 4.156 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2cccs2)c(O)c1 ZINC000920943986 1052956135 /nfs/dbraw/zinc/95/61/35/1052956135.db2.gz GHTZNXIEFVSPOH-RNEAKCBISA-N 1 0 302.443 4.480 20 30 DIEDRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000920955038 1052956856 /nfs/dbraw/zinc/95/68/56/1052956856.db2.gz QCCPIYIOBGUCOR-QGZVFWFLSA-N 1 0 301.478 4.341 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1ccc(Cl)cc1C#N)c1ccccc1 ZINC001227205475 1052972489 /nfs/dbraw/zinc/97/24/89/1052972489.db2.gz KOXVOSSFGPHFNA-SFHVURJKSA-N 1 0 314.816 4.283 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000609433159 1052977043 /nfs/dbraw/zinc/97/70/43/1052977043.db2.gz AEZSKPPMUWLYDJ-INIZCTEOSA-N 1 0 320.436 4.273 20 30 DIEDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000609483531 1052980723 /nfs/dbraw/zinc/98/07/23/1052980723.db2.gz VMDDCZHHISKTAT-UHFFFAOYSA-N 1 0 322.452 4.066 20 30 DIEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)c1ccccc1 ZINC000609739077 1052990527 /nfs/dbraw/zinc/99/05/27/1052990527.db2.gz WHNAHVFZHLSBPC-INIZCTEOSA-N 1 0 310.397 4.387 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000378862085 1052995611 /nfs/dbraw/zinc/99/56/11/1052995611.db2.gz SFKJFYGOIBKYAJ-GXSJLCMTSA-N 1 0 300.265 4.442 20 30 DIEDRO N#Cc1cccc(OCCC[N@H+](Cc2cccs2)C2CC2)c1 ZINC000195646094 1052999973 /nfs/dbraw/zinc/99/99/73/1052999973.db2.gz ZFTYWZIWVSGGTD-UHFFFAOYSA-N 1 0 312.438 4.053 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000237580631 1053013072 /nfs/dbraw/zinc/01/30/72/1053013072.db2.gz DOJWBEQEMUBKGG-OLZOCXBDSA-N 1 0 316.351 4.106 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2F)cc1 ZINC000237582726 1053013267 /nfs/dbraw/zinc/01/32/67/1053013267.db2.gz DOJWBEQEMUBKGG-CHWSQXEVSA-N 1 0 316.351 4.106 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)c1ccccc1 ZINC000237607386 1053015392 /nfs/dbraw/zinc/01/53/92/1053015392.db2.gz QHZFXMBMPURTRK-MSOLQXFVSA-N 1 0 321.468 4.318 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000615440001 1053017188 /nfs/dbraw/zinc/01/71/88/1053017188.db2.gz AQZQGQAQMNRYJK-OXQOHEQNSA-N 1 0 306.409 4.083 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(F)cc1F ZINC000237705480 1053020986 /nfs/dbraw/zinc/02/09/86/1053020986.db2.gz DOJWBEQEMUBKGG-QWHCGFSZSA-N 1 0 316.351 4.106 20 30 DIEDRO Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000179770163 1053026153 /nfs/dbraw/zinc/02/61/53/1053026153.db2.gz DVWNBFQKJJLAPG-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO Cc1c(C#N)cccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001228027939 1053037411 /nfs/dbraw/zinc/03/74/11/1053037411.db2.gz TVCXCNLWPZKGDN-JXFKEZNVSA-N 1 0 320.436 4.156 20 30 DIEDRO N#Cc1cc(CNC2(c3ccc(F)cc3F)CCC2)ccc1F ZINC000179984507 1053038758 /nfs/dbraw/zinc/03/87/58/1053038758.db2.gz HCMVVHBUKPDKET-UHFFFAOYSA-N 1 0 316.326 4.145 20 30 DIEDRO Cc1cccc(CC[C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000180554823 1053070492 /nfs/dbraw/zinc/07/04/92/1053070492.db2.gz WNYWMFLYASALJR-QGZVFWFLSA-N 1 0 308.425 4.008 20 30 DIEDRO CCCc1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000180548800 1053070611 /nfs/dbraw/zinc/07/06/11/1053070611.db2.gz XEPDIPQPOWEXTR-INIZCTEOSA-N 1 0 308.425 4.392 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)c(F)c1 ZINC000180861002 1053100328 /nfs/dbraw/zinc/10/03/28/1053100328.db2.gz LXGZDRMBDWPTAQ-UHFFFAOYSA-N 1 0 304.315 4.000 20 30 DIEDRO CC(=O)/C=C/c1ccc(O[C@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001228496393 1053117503 /nfs/dbraw/zinc/11/75/03/1053117503.db2.gz LBCRAKXTLWLXFB-LCCNJJIFSA-N 1 0 323.436 4.361 20 30 DIEDRO Cc1nc2ccc(C[NH2+][C@@H](C)c3cccc(C#N)c3)cc2s1 ZINC000617263861 1053118864 /nfs/dbraw/zinc/11/88/64/1053118864.db2.gz HCTNRQBWJJAOFH-LBPRGKRZSA-N 1 0 307.422 4.327 20 30 DIEDRO CC(=O)/C=C/c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC001228498022 1053119045 /nfs/dbraw/zinc/11/90/45/1053119045.db2.gz YREMNEQXBRJQMU-ZUZKIZCBSA-N 1 0 313.441 4.071 20 30 DIEDRO CC(=O)/C=C\c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC001228498020 1053119566 /nfs/dbraw/zinc/11/95/66/1053119566.db2.gz YREMNEQXBRJQMU-VZSSIPLRSA-N 1 0 313.441 4.071 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000180969904 1053121375 /nfs/dbraw/zinc/12/13/75/1053121375.db2.gz VRCPLPZWEAZICO-OAHLLOKOSA-N 1 0 318.829 4.277 20 30 DIEDRO CC[N@@H+]1CC[C@@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C1 ZINC001228542046 1053129316 /nfs/dbraw/zinc/12/93/16/1053129316.db2.gz BZISNCAIFBCSKV-JXOMPUQVSA-N 1 0 321.420 4.056 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C1 ZINC001228544042 1053131027 /nfs/dbraw/zinc/13/10/27/1053131027.db2.gz IUZJDKNJIHRGFL-JKIKYLSZSA-N 1 0 321.420 4.056 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccc1C=Nc1ccccc1)C2 ZINC001228565549 1053135713 /nfs/dbraw/zinc/13/57/13/1053135713.db2.gz SKPVPNBUQQCOHK-PMOLBWCYSA-N 1 0 320.436 4.441 20 30 DIEDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228563802 1053135928 /nfs/dbraw/zinc/13/59/28/1053135928.db2.gz CUGIJCMRMIOYDD-LJQANCHMSA-N 1 0 308.425 4.299 20 30 DIEDRO C=CCCC[N@@H+](CC)CCOc1ccc(C(F)(F)F)cc1 ZINC001560204332 1053141799 /nfs/dbraw/zinc/14/17/99/1053141799.db2.gz HJVXIRRRCGMYPG-UHFFFAOYSA-N 1 0 301.352 4.372 20 30 DIEDRO N#Cc1cncc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)c1 ZINC001351177971 1053145408 /nfs/dbraw/zinc/14/54/08/1053145408.db2.gz XAAWPAIMKLIANE-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1cccc(C#N)c1 ZINC000617506104 1053150685 /nfs/dbraw/zinc/15/06/85/1053150685.db2.gz VEILRXCETNBLOF-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO C=CCc1ccccc1O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001228846101 1053192401 /nfs/dbraw/zinc/19/24/01/1053192401.db2.gz IDYPFMWXTAJADV-FUHWJXTLSA-N 1 0 308.425 4.024 20 30 DIEDRO CC(C)=CCC[C@@H](C)CC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC001474728539 1053192810 /nfs/dbraw/zinc/19/28/10/1053192810.db2.gz LEWFWRCWWGUCBR-QGZVFWFLSA-N 1 0 305.462 4.097 20 30 DIEDRO CC(C)=CCC[C@H](C)CC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC001474728538 1053193105 /nfs/dbraw/zinc/19/31/05/1053193105.db2.gz LEWFWRCWWGUCBR-KRWDZBQOSA-N 1 0 305.462 4.097 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cccc(C#N)c1 ZINC000181398829 1053202009 /nfs/dbraw/zinc/20/20/09/1053202009.db2.gz BPSYAHKWNOOHHK-LPHOPBHVSA-N 1 0 323.440 4.029 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555990 1053205093 /nfs/dbraw/zinc/20/50/93/1053205093.db2.gz ZNMIKTKMRDCMNU-CHWSQXEVSA-N 1 0 319.836 4.123 20 30 DIEDRO C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000181420578 1053206201 /nfs/dbraw/zinc/20/62/01/1053206201.db2.gz HXHBWYPNOAVLNE-IRXDYDNUSA-N 1 0 308.425 4.377 20 30 DIEDRO Cc1cnc(C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)s1 ZINC000617908105 1053207603 /nfs/dbraw/zinc/20/76/03/1053207603.db2.gz BCVPNEQKIZLJDP-UHFFFAOYSA-N 1 0 311.454 4.011 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728352 1053212949 /nfs/dbraw/zinc/21/29/49/1053212949.db2.gz ASSRTRHTWQISQP-CHWSQXEVSA-N 1 0 319.836 4.123 20 30 DIEDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(C#N)cc2C(C)(C)C)CC1 ZINC001228995946 1053219958 /nfs/dbraw/zinc/21/99/58/1053219958.db2.gz JEXMSVOITXASCS-WKILWMFISA-N 1 0 300.446 4.107 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001319376865 1053240115 /nfs/dbraw/zinc/24/01/15/1053240115.db2.gz DQBBJCZXWWGOJK-OAQYLSRUSA-N 1 0 319.452 4.421 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC001319401926 1053241121 /nfs/dbraw/zinc/24/11/21/1053241121.db2.gz ZXHBBTKIRJCRIC-ZDUSSCGKSA-N 1 0 317.791 4.342 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)COCc1ccccc1 ZINC000181606985 1053259438 /nfs/dbraw/zinc/25/94/38/1053259438.db2.gz SSJVHUXSIFKLBL-IRXDYDNUSA-N 1 0 308.425 4.062 20 30 DIEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001319784185 1053273745 /nfs/dbraw/zinc/27/37/45/1053273745.db2.gz MJRQJQHYPBESQA-MJGOQNOKSA-N 1 0 300.446 4.283 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001319838861 1053279345 /nfs/dbraw/zinc/27/93/45/1053279345.db2.gz SITRTNDMXQVJJN-SNVBAGLBSA-N 1 0 306.749 4.172 20 30 DIEDRO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1 ZINC000181709524 1053282194 /nfs/dbraw/zinc/28/21/94/1053282194.db2.gz OFKDPDRVFDPPTL-CYBMUJFWSA-N 1 0 313.470 4.206 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1cc(C#N)ccc1Cl)c1cccs1 ZINC001229248962 1053283362 /nfs/dbraw/zinc/28/33/62/1053283362.db2.gz QLZQSGJKUCKMCC-AWEZNQCLSA-N 1 0 320.845 4.345 20 30 DIEDRO COc1cc(Cl)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181725941 1053285603 /nfs/dbraw/zinc/28/56/03/1053285603.db2.gz SBXQKCRDUNAJKL-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc2cc(OC)ccc2o1)c1ccccc1 ZINC000763499772 1053291336 /nfs/dbraw/zinc/29/13/36/1053291336.db2.gz VLVDCRCHGWNJSL-IBGZPJMESA-N 1 0 305.377 4.296 20 30 DIEDRO C=CCO[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001320038922 1053298611 /nfs/dbraw/zinc/29/86/11/1053298611.db2.gz GAYXDUNGWKZNQM-NRFANRHFSA-N 1 0 323.436 4.043 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC001320087278 1053301859 /nfs/dbraw/zinc/30/18/59/1053301859.db2.gz XDKKRPIZAVHSFT-ZDUSSCGKSA-N 1 0 317.376 4.075 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC001320087227 1053302788 /nfs/dbraw/zinc/30/27/88/1053302788.db2.gz WGGKOQGUOGLBFJ-IBGZPJMESA-N 1 0 323.436 4.139 20 30 DIEDRO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC001320091973 1053304654 /nfs/dbraw/zinc/30/46/54/1053304654.db2.gz QGSSZFDOPPJRFO-HXUWFJFHSA-N 1 0 323.436 4.043 20 30 DIEDRO CC[N@@H+]1CC[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C1 ZINC001229428153 1053317574 /nfs/dbraw/zinc/31/75/74/1053317574.db2.gz IDPPLRVHZXLUFB-VPLQDYMCSA-N 1 0 321.420 4.056 20 30 DIEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C1 ZINC001229428152 1053318503 /nfs/dbraw/zinc/31/85/03/1053318503.db2.gz IDPPLRVHZXLUFB-LOJRPPCJSA-N 1 0 321.420 4.056 20 30 DIEDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000181980529 1053318818 /nfs/dbraw/zinc/31/88/18/1053318818.db2.gz PGLBYLRKKHYOQZ-HRAATJIYSA-N 1 0 320.436 4.261 20 30 DIEDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)/C=C\c2ccccc2)cc1 ZINC001229435127 1053319364 /nfs/dbraw/zinc/31/93/64/1053319364.db2.gz ZGLLZDQWRTXIRM-MJSCBBHESA-N 1 0 324.444 4.056 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000182000494 1053323092 /nfs/dbraw/zinc/32/30/92/1053323092.db2.gz CJKOYNKJZJJAFW-QFBILLFUSA-N 1 0 320.436 4.360 20 30 DIEDRO N#C[C@H](Oc1cccc(C[NH+]2CCCCC2)c1)c1cccc(F)c1 ZINC001229448822 1053323385 /nfs/dbraw/zinc/32/33/85/1053323385.db2.gz POBAPIWEUAKNBI-FQEVSTJZSA-N 1 0 324.399 4.455 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)cs1 ZINC000618566830 1053324675 /nfs/dbraw/zinc/32/46/75/1053324675.db2.gz HCRYACWSRPNUFY-WBVHZDCISA-N 1 0 311.454 4.291 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000618571990 1053327665 /nfs/dbraw/zinc/32/76/65/1053327665.db2.gz BZGTUBGWNVLOCR-ROUUACIJSA-N 1 0 300.446 4.194 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000618575528 1053327902 /nfs/dbraw/zinc/32/79/02/1053327902.db2.gz OREHLOKXSIOCBX-CFAJVAMVSA-N 1 0 306.837 4.088 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC#N)c1)CCC2 ZINC001320576171 1053345811 /nfs/dbraw/zinc/34/58/11/1053345811.db2.gz BCPSJCDVHODYRA-FQEVSTJZSA-N 1 0 306.409 4.065 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC001320617980 1053347835 /nfs/dbraw/zinc/34/78/35/1053347835.db2.gz LSFPADBGGNVYAO-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC001320689548 1053355791 /nfs/dbraw/zinc/35/57/91/1053355791.db2.gz DMQMBHRZXZCPIW-BIXGBWIQSA-N 1 0 318.420 4.114 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742693 1053357110 /nfs/dbraw/zinc/35/71/10/1053357110.db2.gz PNBZFHWFNWUJSC-HXUWFJFHSA-N 1 0 306.409 4.124 20 30 DIEDRO CCCCCc1ccc(C)cc1O[C@H](CC#N)C[N+](C)(C)C ZINC001229593811 1053360423 /nfs/dbraw/zinc/36/04/23/1053360423.db2.gz FKWGQRGASNFWJE-GOSISDBHSA-N 1 0 303.470 4.095 20 30 DIEDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 ZINC000618804635 1053369823 /nfs/dbraw/zinc/36/98/23/1053369823.db2.gz LLFJBGGINWGVKO-CCARFGRDSA-N 1 0 302.421 4.327 20 30 DIEDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804754 1053370690 /nfs/dbraw/zinc/37/06/90/1053370690.db2.gz LTVRXZHLOIPYSU-IFXJQAMLSA-N 1 0 306.409 4.213 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc2c(s1)CCC2 ZINC000618808217 1053372731 /nfs/dbraw/zinc/37/27/31/1053372731.db2.gz ZQXCARHNSXMRMN-SJKOYZFVSA-N 1 0 308.450 4.447 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc(CC[NH+](C)C)cc2)O1 ZINC001229657050 1053375999 /nfs/dbraw/zinc/37/59/99/1053375999.db2.gz FZKWAABUGGXBPM-AZUAARDMSA-N 1 0 317.473 4.072 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](Oc2ccc(CC[NH+](C)C)cc2)C(C)(C)O1 ZINC001229659836 1053376966 /nfs/dbraw/zinc/37/69/66/1053376966.db2.gz LTSVENSDFAXYOP-UYAOXDASSA-N 1 0 317.473 4.072 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC001320967434 1053377867 /nfs/dbraw/zinc/37/78/67/1053377867.db2.gz HAUKDBCWOQBFOX-CYBMUJFWSA-N 1 0 319.351 4.002 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC001321016568 1053380119 /nfs/dbraw/zinc/38/01/19/1053380119.db2.gz XJCDIVIFRJWSGD-DLBZAZTESA-N 1 0 300.446 4.078 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)COc1ccccc1F)c1ccc(C#N)cc1 ZINC001321014034 1053380526 /nfs/dbraw/zinc/38/05/26/1053380526.db2.gz BXAFPAHZVWEDBF-KBXCAEBGSA-N 1 0 312.388 4.206 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccccc2C[NH+](C)C)O1 ZINC001229700269 1053387528 /nfs/dbraw/zinc/38/75/28/1053387528.db2.gz WXNBTCMWNJHCGZ-PKOBYXMFSA-N 1 0 303.446 4.029 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC001229944905 1053436915 /nfs/dbraw/zinc/43/69/15/1053436915.db2.gz QUPWSFWEWOYZPM-HXUWFJFHSA-N 1 0 320.436 4.314 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1nc2ccccc2n1C(F)F ZINC001474763406 1053440309 /nfs/dbraw/zinc/44/03/09/1053440309.db2.gz XPDQCJXZIPQEAN-NWDGAFQWSA-N 1 0 320.387 4.410 20 30 DIEDRO C=CCC(CC=C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000094121953 1053473872 /nfs/dbraw/zinc/47/38/72/1053473872.db2.gz JJRBMMILBOSPFZ-UHFFFAOYSA-N 1 0 312.457 4.032 20 30 DIEDRO C=C[C@@H](C)Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@H+](C)CC3 ZINC001230126647 1053479754 /nfs/dbraw/zinc/47/97/54/1053479754.db2.gz VNHNITANQCKBGV-CXAGYDPISA-N 1 0 321.420 4.098 20 30 DIEDRO N#CCSCCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182601611 1053481570 /nfs/dbraw/zinc/48/15/70/1053481570.db2.gz YONSUDKVWWLOFK-MRXNPFEDSA-N 1 0 308.878 4.418 20 30 DIEDRO CCCCCCCc1nnc([C@@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001322364610 1053493124 /nfs/dbraw/zinc/49/31/24/1053493124.db2.gz PTLYDCXMOQDDMT-INIZCTEOSA-N 1 0 307.482 4.418 20 30 DIEDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508329 1053497409 /nfs/dbraw/zinc/49/74/09/1053497409.db2.gz XKXVRWSJFMZMMB-SGTLLEGYSA-N 1 0 309.413 4.281 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000619554193 1053507133 /nfs/dbraw/zinc/50/71/33/1053507133.db2.gz RJHUPICECMRUKG-SFHLNBCPSA-N 1 0 302.421 4.471 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1cccc(C#N)c1 ZINC000619723818 1053540543 /nfs/dbraw/zinc/54/05/43/1053540543.db2.gz DPYDVXXJIIWNLP-QKYXUNIQSA-N 1 0 305.425 4.330 20 30 DIEDRO C[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000619720353 1053540783 /nfs/dbraw/zinc/54/07/83/1053540783.db2.gz DGTZMHWBLSZTST-CZUORRHYSA-N 1 0 310.363 4.435 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cccc2[nH]ccc21 ZINC000619724631 1053540843 /nfs/dbraw/zinc/54/08/43/1053540843.db2.gz OTNNKSGIUWTRPK-HXUWFJFHSA-N 1 0 315.420 4.249 20 30 DIEDRO C/C(=C/c1ccccc1)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000619726146 1053544242 /nfs/dbraw/zinc/54/42/42/1053544242.db2.gz BCVQZEBMUQWQSD-SDXDJHTJSA-N 1 0 317.436 4.042 20 30 DIEDRO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754652 1053545449 /nfs/dbraw/zinc/54/54/49/1053545449.db2.gz GSIDKLGWOQLEAQ-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1Cl ZINC000619755889 1053547610 /nfs/dbraw/zinc/54/76/10/1053547610.db2.gz XNDPVGRNWCXBKI-QGZVFWFLSA-N 1 0 312.800 4.215 20 30 DIEDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754456 1053548535 /nfs/dbraw/zinc/54/85/35/1053548535.db2.gz AAUXEMRQGYWUPA-SCLBCKFNSA-N 1 0 314.816 4.077 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1Cl ZINC000619755888 1053548853 /nfs/dbraw/zinc/54/88/53/1053548853.db2.gz XNDPVGRNWCXBKI-KRWDZBQOSA-N 1 0 312.800 4.215 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619748646 1053553999 /nfs/dbraw/zinc/55/39/99/1053553999.db2.gz PTKLZHGECAEGPJ-UHFFFAOYSA-N 1 0 314.816 4.289 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748627 1053554215 /nfs/dbraw/zinc/55/42/15/1053554215.db2.gz KGHWEGPOKHXIGO-UHFFFAOYSA-N 1 0 314.816 4.289 20 30 DIEDRO Cc1ccc2[nH+]ccc(NCc3ccc(C#N)c(Cl)c3)c2c1 ZINC000619747339 1053555020 /nfs/dbraw/zinc/55/50/20/1053555020.db2.gz VPRNPYIKRZJJDZ-UHFFFAOYSA-N 1 0 307.784 4.102 20 30 DIEDRO CC(C)(C#N)C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000619845209 1053565671 /nfs/dbraw/zinc/56/56/71/1053565671.db2.gz AMNCDVXKXCQQIT-UHFFFAOYSA-N 1 0 314.379 4.236 20 30 DIEDRO Cc1cc(OCCC[C@H](C)[NH2+]CC(C)(C)C#N)ccc1Cl ZINC000619845275 1053565911 /nfs/dbraw/zinc/56/59/11/1053565911.db2.gz KMSDWSGRTGULMQ-AWEZNQCLSA-N 1 0 308.853 4.335 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@@H]1C[C@H]1c1ccccc1 ZINC000619822961 1053566741 /nfs/dbraw/zinc/56/67/41/1053566741.db2.gz JOQPYMOQTFUUFH-CXTHYWKRSA-N 1 0 302.421 4.327 20 30 DIEDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(C#N)cccc2C(C)(C)C)CC1 ZINC001230636332 1053573757 /nfs/dbraw/zinc/57/37/57/1053573757.db2.gz JBASVRLGVUWJAM-WKILWMFISA-N 1 0 300.446 4.107 20 30 DIEDRO Cc1cc(C#N)ccc1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001230683466 1053581435 /nfs/dbraw/zinc/58/14/35/1053581435.db2.gz BMEBIDOPKCBEPV-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(F)cc1OC(F)F ZINC001323445720 1053583138 /nfs/dbraw/zinc/58/31/38/1053583138.db2.gz OOOBMOSGKSLBSU-NSHDSACASA-N 1 0 314.351 4.408 20 30 DIEDRO C=CC1CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000153415230 1053613144 /nfs/dbraw/zinc/61/31/44/1053613144.db2.gz AMRGKNRKOLKSQD-UHFFFAOYSA-N 1 0 304.340 4.018 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001324021192 1053617922 /nfs/dbraw/zinc/61/79/22/1053617922.db2.gz HEDJYHKYPBVTAC-BBRMVZONSA-N 1 0 316.470 4.279 20 30 DIEDRO C=CCc1cccc(OC2CCN(c3cc(C)ccn3)CC2)c1 ZINC001231009973 1053649002 /nfs/dbraw/zinc/64/90/02/1053649002.db2.gz MOAWSUYKGBWMMI-UHFFFAOYSA-N 1 0 308.425 4.166 20 30 DIEDRO C=CCc1cccc(O[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c1 ZINC001231010029 1053649483 /nfs/dbraw/zinc/64/94/83/1053649483.db2.gz NEGAFUOZMAWNCQ-FXAWDEMLSA-N 1 0 322.452 4.415 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000183538915 1053672120 /nfs/dbraw/zinc/67/21/20/1053672120.db2.gz GZGLLCTURWXFEM-UHFFFAOYSA-N 1 0 306.409 4.126 20 30 DIEDRO CC[N@@H+]1CCC[C@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231202582 1053701980 /nfs/dbraw/zinc/70/19/80/1053701980.db2.gz LOFJQNFOWIBGIR-GDUPUGJQSA-N 1 0 308.425 4.300 20 30 DIEDRO CCCCCCc1ccc(O[C@H](CC#N)C[N+](C)(C)C)cc1 ZINC001231251976 1053709431 /nfs/dbraw/zinc/70/94/31/1053709431.db2.gz CDYDOIATJLLJEL-LJQANCHMSA-N 1 0 303.470 4.177 20 30 DIEDRO C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(OCC#N)cc1 ZINC000264895065 1053717483 /nfs/dbraw/zinc/71/74/83/1053717483.db2.gz UPLNBSGPBOLXPO-OLZOCXBDSA-N 1 0 316.351 4.279 20 30 DIEDRO C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccc(OCC#N)cc1 ZINC000264895064 1053718196 /nfs/dbraw/zinc/71/81/96/1053718196.db2.gz UPLNBSGPBOLXPO-CHWSQXEVSA-N 1 0 316.351 4.279 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC001325620044 1053723840 /nfs/dbraw/zinc/72/38/40/1053723840.db2.gz OBWBPCVUCKVOPJ-IUODEOHRSA-N 1 0 305.418 4.406 20 30 DIEDRO COc1ccccc1C1([NH2+][C@@H]2CCc3ccc(C#N)cc32)CCC1 ZINC001325880559 1053739766 /nfs/dbraw/zinc/73/97/66/1053739766.db2.gz SIORJNGJERKIJM-LJQANCHMSA-N 1 0 318.420 4.223 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc2ccncc2s1 ZINC001200545421 1053749758 /nfs/dbraw/zinc/74/97/58/1053749758.db2.gz XLFUVNPEUJFDOU-UHFFFAOYSA-N 1 0 310.422 4.151 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cnc2ccccc2c1 ZINC001200545434 1053749837 /nfs/dbraw/zinc/74/98/37/1053749837.db2.gz XZDSZHOVCAGCQF-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)cc1 ZINC001200551065 1053752230 /nfs/dbraw/zinc/75/22/30/1053752230.db2.gz BAHBZHABHUZWAG-JOCHJYFZSA-N 1 0 319.448 4.242 20 30 DIEDRO CN(C)c1ccc2cc(C[NH+]3CCC(C)(C#N)CC3)ccc2c1 ZINC001231441992 1053755513 /nfs/dbraw/zinc/75/55/13/1053755513.db2.gz HSYOMJLTDUTWHD-UHFFFAOYSA-N 1 0 307.441 4.031 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccncc1 ZINC001200562883 1053764347 /nfs/dbraw/zinc/76/43/47/1053764347.db2.gz QZIRGAVHEBQQEW-INIZCTEOSA-N 1 0 322.330 4.229 20 30 DIEDRO CO[C@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)[C@H](C)C1 ZINC001231578676 1053788337 /nfs/dbraw/zinc/78/83/37/1053788337.db2.gz QOPAVFFBVAXXFH-GCJKJVERSA-N 1 0 319.448 4.086 20 30 DIEDRO FC1(F)C[C@@]12CC[N@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001231578935 1053788471 /nfs/dbraw/zinc/78/84/71/1053788471.db2.gz UVWKZQLPPBZKMM-HXUWFJFHSA-N 1 0 323.386 4.318 20 30 DIEDRO N#C[C@H]1CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231578835 1053788813 /nfs/dbraw/zinc/78/88/13/1053788813.db2.gz SWQBEHUZJUEAOP-FQEVSTJZSA-N 1 0 314.432 4.212 20 30 DIEDRO C(#Cc1ccccc1C[NH+]1CC(c2cccnc2)C1)c1ccccc1 ZINC001231578039 1053790524 /nfs/dbraw/zinc/79/05/24/1053790524.db2.gz GXFKUQJSCWUVRC-UHFFFAOYSA-N 1 0 324.427 4.081 20 30 DIEDRO C=CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000155875946 1053790706 /nfs/dbraw/zinc/79/07/06/1053790706.db2.gz BQTRWFBEVRONKN-UHFFFAOYSA-N 1 0 300.229 4.160 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](CC)Cc2cccc(OC)c2)c1 ZINC001231625220 1053804881 /nfs/dbraw/zinc/80/48/81/1053804881.db2.gz PZZVQFNFTNLUHF-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001231618498 1053804990 /nfs/dbraw/zinc/80/49/90/1053804990.db2.gz MMQOFNMFRABPNM-LJQANCHMSA-N 1 0 320.436 4.022 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](C)Cc2cccc3cccnc32)c1 ZINC001231623670 1053806998 /nfs/dbraw/zinc/80/69/98/1053806998.db2.gz PGGLMBWDHMUDIY-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1C(C)C ZINC001231626598 1053811139 /nfs/dbraw/zinc/81/11/39/1053811139.db2.gz NBPOSCZZKLNZKG-INIZCTEOSA-N 1 0 300.446 4.253 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271505860 1053817626 /nfs/dbraw/zinc/81/76/26/1053817626.db2.gz RLMIGIFZRWUWRD-HZPDHXFCSA-N 1 0 324.424 4.318 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000271764026 1053819144 /nfs/dbraw/zinc/81/91/44/1053819144.db2.gz MWLFHGSMFCPEBN-MRXNPFEDSA-N 1 0 324.424 4.227 20 30 DIEDRO C#Cc1cccc(C[N@H+](C)Cc2ccc(Br)cc2)c1 ZINC001231659345 1053820560 /nfs/dbraw/zinc/82/05/60/1053820560.db2.gz JMLAJASPMFQARD-UHFFFAOYSA-N 1 0 314.226 4.062 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)c1 ZINC001231660347 1053824992 /nfs/dbraw/zinc/82/49/92/1053824992.db2.gz CVHVHFXSGWNVLE-UHFFFAOYSA-N 1 0 317.432 4.028 20 30 DIEDRO C#Cc1cccc(C[N@H+](Cc2ccccn2)C2CCCCC2)c1 ZINC001231664084 1053827366 /nfs/dbraw/zinc/82/73/66/1053827366.db2.gz VNRNEDMUVUIYOQ-UHFFFAOYSA-N 1 0 304.437 4.398 20 30 DIEDRO CCc1cccc2cc(C[NH2+]Cc3cccc(OCC#N)c3)oc21 ZINC001327242096 1053843421 /nfs/dbraw/zinc/84/34/21/1053843421.db2.gz ZNTMFSUKOYTAQK-UHFFFAOYSA-N 1 0 320.392 4.187 20 30 DIEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000157464654 1053853401 /nfs/dbraw/zinc/85/34/01/1053853401.db2.gz CJJRRETZBJAEQA-QGZVFWFLSA-N 1 0 316.445 4.142 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC001327348339 1053853911 /nfs/dbraw/zinc/85/39/11/1053853911.db2.gz MHLYZUFEQCHAMI-CJNGLKHVSA-N 1 0 313.363 4.086 20 30 DIEDRO Cc1oc2ccccc2c1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000183911487 1053856835 /nfs/dbraw/zinc/85/68/35/1053856835.db2.gz WMAOPWOBBLHMML-CQSZACIVSA-N 1 0 320.392 4.322 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC001436461536 1053869846 /nfs/dbraw/zinc/86/98/46/1053869846.db2.gz GQPBIKZVQFYOGQ-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CCCCC1 ZINC001231821343 1053875763 /nfs/dbraw/zinc/87/57/63/1053875763.db2.gz AWRAHWWOQKMDQG-UHFFFAOYSA-N 1 0 311.473 4.357 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001231822223 1053876105 /nfs/dbraw/zinc/87/61/05/1053876105.db2.gz YBLFGYZNHRUVST-RTBURBONSA-N 1 0 311.473 4.049 20 30 DIEDRO Cc1cccc(CC[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1 ZINC001231820568 1053877418 /nfs/dbraw/zinc/87/74/18/1053877418.db2.gz OUGXWPKQPXSLEB-UHFFFAOYSA-N 1 0 321.468 4.019 20 30 DIEDRO C#CC[N@@H+](Cc1c(C)cc(C)cc1O)[C@@H]1CCc2ccccc21 ZINC001231845625 1053890180 /nfs/dbraw/zinc/89/01/80/1053890180.db2.gz DMDREPCTWHKNGL-HXUWFJFHSA-N 1 0 305.421 4.132 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(N(C)C)cc1OC)C1CCCCC1 ZINC001231857641 1053894338 /nfs/dbraw/zinc/89/43/38/1053894338.db2.gz LWZQJGZQVQUJRY-UHFFFAOYSA-N 1 0 302.462 4.082 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000277723658 1053928230 /nfs/dbraw/zinc/92/82/30/1053928230.db2.gz NOLWVFXEDQTUDW-IBGZPJMESA-N 1 0 314.473 4.245 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)cc1Cl ZINC001232116090 1053964379 /nfs/dbraw/zinc/96/43/79/1053964379.db2.gz GNGORFSACSBBPQ-HNNXBMFYSA-N 1 0 306.812 4.316 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)cc1Cl ZINC001232116093 1053964885 /nfs/dbraw/zinc/96/48/85/1053964885.db2.gz GNGORFSACSBBPQ-OAHLLOKOSA-N 1 0 306.812 4.316 20 30 DIEDRO CCCCN(CCC#N)Cc1ccc2ccc3cccnc3c2n1 ZINC001232222783 1053995073 /nfs/dbraw/zinc/99/50/73/1053995073.db2.gz ZCBOFFQKODXCOB-UHFFFAOYSA-N 1 0 318.424 4.299 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC001330173526 1054027330 /nfs/dbraw/zinc/02/73/30/1054027330.db2.gz DYEWRLDDGQURRC-FAEJEUNOSA-N 1 0 318.411 4.416 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC001330173527 1054027953 /nfs/dbraw/zinc/02/79/53/1054027953.db2.gz DYEWRLDDGQURRC-ZLPCBKJTSA-N 1 0 318.411 4.416 20 30 DIEDRO Cc1cccc(C[NH+]2CCC(C#N)CC2)c1OCc1ccccc1 ZINC001232399723 1054041144 /nfs/dbraw/zinc/04/11/44/1054041144.db2.gz ZWZVVEWZOIKOTA-UHFFFAOYSA-N 1 0 320.436 4.310 20 30 DIEDRO Cc1cccc(F)c1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001232484262 1054057539 /nfs/dbraw/zinc/05/75/39/1054057539.db2.gz ZRVOEPFPKDIMIJ-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO C=CC[N@H+](Cc1ccc(-n2cccn2)cc1Cl)C(C)(C)C ZINC001232596766 1054080255 /nfs/dbraw/zinc/08/02/55/1054080255.db2.gz TYXJTHSDEJZLOA-UHFFFAOYSA-N 1 0 303.837 4.312 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc3ccsc3c1)CC2 ZINC001232609935 1054082634 /nfs/dbraw/zinc/08/26/34/1054082634.db2.gz AHFMICLVCUCVNT-UHFFFAOYSA-N 1 0 304.418 4.331 20 30 DIEDRO C[N@H+](Cc1cc2ccc(Cl)cc2[nH]1)Cc1ccc(C#N)cc1 ZINC001232730576 1054108054 /nfs/dbraw/zinc/10/80/54/1054108054.db2.gz VSSOPFSEIYGSBO-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(N2CCCC2)c1 ZINC001332711496 1054125198 /nfs/dbraw/zinc/12/51/98/1054125198.db2.gz FYEOMKTWKVLPEM-WWDZGPRUSA-N 1 0 311.473 4.267 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1nc(C(C)(C)C)cs1 ZINC001332887515 1054131307 /nfs/dbraw/zinc/13/13/07/1054131307.db2.gz YPYCKJFNSCLQCS-HSBZDZAISA-N 1 0 305.491 4.421 20 30 DIEDRO C=CCC[N@@H+](Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1 ZINC001232865596 1054133742 /nfs/dbraw/zinc/13/37/42/1054133742.db2.gz GMVYZZNFCAOTJO-UHFFFAOYSA-N 1 0 306.409 4.452 20 30 DIEDRO C[N@@H+](Cc1ccc(Br)c(C#N)c1)CC1CCCCC1 ZINC001232899017 1054144705 /nfs/dbraw/zinc/14/47/05/1054144705.db2.gz JMGCNEAJDDKDOH-UHFFFAOYSA-N 1 0 321.262 4.333 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc(F)ccc1O ZINC000848566622 1054152683 /nfs/dbraw/zinc/15/26/83/1054152683.db2.gz CLZQWXDPKGYJOZ-CYBMUJFWSA-N 1 0 310.372 4.133 20 30 DIEDRO Cc1ccc(O)c([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000848567348 1054153559 /nfs/dbraw/zinc/15/35/59/1054153559.db2.gz SXKPYNVSBJAJSU-HNNXBMFYSA-N 1 0 306.409 4.302 20 30 DIEDRO Cc1ccc(C[N@H+](Cc2ccccc2)C2CCOCC2)c(C#N)c1 ZINC001232966700 1054160279 /nfs/dbraw/zinc/16/02/79/1054160279.db2.gz RVKUVWXAHWPWRP-UHFFFAOYSA-N 1 0 320.436 4.048 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Sc3ccncc3)CC2)c(C#N)c1 ZINC001232967573 1054163597 /nfs/dbraw/zinc/16/35/97/1054163597.db2.gz QMOVXSMCGJNOLT-UHFFFAOYSA-N 1 0 323.465 4.018 20 30 DIEDRO C#CCCCCCC[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC001333745779 1054170654 /nfs/dbraw/zinc/17/06/54/1054170654.db2.gz NJVSWAODIPVQRW-HXUWFJFHSA-N 1 0 324.468 4.018 20 30 DIEDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)cc1 ZINC001233049683 1054176568 /nfs/dbraw/zinc/17/65/68/1054176568.db2.gz SNIPQRPDYCTPRP-QGZVFWFLSA-N 1 0 323.440 4.053 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001334049762 1054179425 /nfs/dbraw/zinc/17/94/25/1054179425.db2.gz SQDGEJFHMKMSKI-QZTJIDSGSA-N 1 0 317.521 4.093 20 30 DIEDRO Cc1cccc(OC2CC[NH+](Cc3ccc(C#N)cc3C)CC2)c1 ZINC001233082202 1054183823 /nfs/dbraw/zinc/18/38/23/1054183823.db2.gz FFNLNYBCBVACQQ-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]CCCCC2(C#N)CCC2)cc1[N+](=O)[O-] ZINC001335613929 1054221153 /nfs/dbraw/zinc/22/11/53/1054221153.db2.gz RJZVUKNYZZWOQB-OAHLLOKOSA-N 1 0 315.417 4.418 20 30 DIEDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001233284015 1054222287 /nfs/dbraw/zinc/22/22/87/1054222287.db2.gz DTYHHGNSHPJLHC-UHFFFAOYSA-N 1 0 320.436 4.120 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc(C(F)F)c1 ZINC001336658303 1054242209 /nfs/dbraw/zinc/24/22/09/1054242209.db2.gz MHBVDWFTIQZPIO-UHFFFAOYSA-N 1 0 300.352 4.403 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc(Cl)ccc2c1 ZINC001233444601 1054273153 /nfs/dbraw/zinc/27/31/53/1054273153.db2.gz WRGRUOSECLCWDW-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3cccc(C#N)c3c1)C2 ZINC001233566078 1054295901 /nfs/dbraw/zinc/29/59/01/1054295901.db2.gz DTCVYMKLUYHOHJ-RUYXUALKSA-N 1 0 320.436 4.494 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001338624179 1054310764 /nfs/dbraw/zinc/31/07/64/1054310764.db2.gz VXFOXYKYWYNIFY-ICSRJNTNSA-N 1 0 320.436 4.090 20 30 DIEDRO C[N@H+](CCSCC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC001473023904 1054314117 /nfs/dbraw/zinc/31/41/17/1054314117.db2.gz WOSVKAJCCHBCOI-UHFFFAOYSA-N 1 0 313.441 4.042 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC001339118820 1054323400 /nfs/dbraw/zinc/32/34/00/1054323400.db2.gz SRBHLXKKCAKRMF-MLGOLLRUSA-N 1 0 310.372 4.050 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2cccc(C#N)c2)cc1 ZINC000848986037 1054323389 /nfs/dbraw/zinc/32/33/89/1054323389.db2.gz RHNFYCJHKOGINY-CQSZACIVSA-N 1 0 306.413 4.208 20 30 DIEDRO Cc1ccc([C@@H]([NH2+]CCCSCC#N)c2ccccc2)cc1 ZINC000072513386 1054335969 /nfs/dbraw/zinc/33/59/69/1054335969.db2.gz FICKYVIRXXMCSO-IBGZPJMESA-N 1 0 310.466 4.321 20 30 DIEDRO CCc1cccc(CC)c1NC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028700 1054346909 /nfs/dbraw/zinc/34/69/09/1054346909.db2.gz AHZQQHXMABFNQM-UHFFFAOYSA-N 1 0 300.450 4.078 20 30 DIEDRO CCCCCCCCC[C@@H](C)CC(=O)N1CCC[N@H+](C)CC1 ZINC001440405809 1054349486 /nfs/dbraw/zinc/34/94/86/1054349486.db2.gz LYUBXWMCQNRDHR-GOSISDBHSA-N 1 0 310.526 4.317 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001339892439 1054349884 /nfs/dbraw/zinc/34/98/84/1054349884.db2.gz GXDGNFDJSZHWOV-BMFZPTHFSA-N 1 0 313.363 4.132 20 30 DIEDRO CC[NH+]1CCC(Oc2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC001233867499 1054377004 /nfs/dbraw/zinc/37/70/04/1054377004.db2.gz VFWCUADOKCOBJV-UHFFFAOYSA-N 1 0 306.409 4.088 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1cc(C)cc(C)c1)c1ccc(Cl)cc1 ZINC000849084455 1054378872 /nfs/dbraw/zinc/37/88/72/1054378872.db2.gz RMJNXFQQHKYGGK-QGZVFWFLSA-N 1 0 311.816 4.268 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001341524702 1054393890 /nfs/dbraw/zinc/39/38/90/1054393890.db2.gz YBLFGYZNHRUVST-OALUTQOASA-N 1 0 311.473 4.049 20 30 DIEDRO C=CCC(CC=C)c1nnc([C@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001341578434 1054398523 /nfs/dbraw/zinc/39/85/23/1054398523.db2.gz FGYJGAQCCFKXOK-OAHLLOKOSA-N 1 0 303.450 4.141 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001442105507 1054409513 /nfs/dbraw/zinc/40/95/13/1054409513.db2.gz LZYCQZYBCKFLIM-OTWHNJEPSA-N 1 0 322.537 4.316 20 30 DIEDRO FC(F)(F)CC[NH+]1CCC(N=Nc2ccccc2Cl)CC1 ZINC001341997463 1054414913 /nfs/dbraw/zinc/41/49/13/1054414913.db2.gz TZXNYXDYNRPORT-UHFFFAOYSA-N 1 0 319.758 4.156 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001442558896 1054426246 /nfs/dbraw/zinc/42/62/46/1054426246.db2.gz LXCNABLQBDXIPQ-LMICACPXSA-N 1 0 320.521 4.380 20 30 DIEDRO C=CC1(CC(=O)N(CC[NH+](CC)CC)CC(C)C)CCCCC1 ZINC001124972998 1054462263 /nfs/dbraw/zinc/46/22/63/1054462263.db2.gz ZZBWOGDKQNYMMG-UHFFFAOYSA-N 1 0 322.537 4.339 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2ncccc2Cl)CC1 ZINC000733901673 1054484641 /nfs/dbraw/zinc/48/46/41/1054484641.db2.gz SPVSQWKFZAGCFJ-CJNGLKHVSA-N 1 0 320.868 4.177 20 30 DIEDRO C=CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001446502041 1054538114 /nfs/dbraw/zinc/53/81/14/1054538114.db2.gz FZFKCMRHKVLTIM-MJGOQNOKSA-N 1 0 314.473 4.075 20 30 DIEDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001346504734 1054538654 /nfs/dbraw/zinc/53/86/54/1054538654.db2.gz YLAYSMRQTJTVQJ-IAGOWNOFSA-N 1 0 302.487 4.204 20 30 DIEDRO CN(Cc1ccc(Cl)c(C#N)c1)Cc1ccccc1Cl ZINC001238194944 1054541042 /nfs/dbraw/zinc/54/10/42/1054541042.db2.gz XSYVFJGDGVQFSQ-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO C=C1CCC(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)CC1 ZINC001446640367 1054541999 /nfs/dbraw/zinc/54/19/99/1054541999.db2.gz UDQCWGIUIBHQSB-UHFFFAOYSA-N 1 0 312.457 4.343 20 30 DIEDRO CCCC[N@H+](CCC#N)Cc1c(O)ccc2ccc(OC)cc21 ZINC001234553100 1054547098 /nfs/dbraw/zinc/54/70/98/1054547098.db2.gz UVMPORYOJYXYKX-UHFFFAOYSA-N 1 0 312.413 4.070 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccsc2)cc1OC ZINC000623357608 1054572421 /nfs/dbraw/zinc/57/24/21/1054572421.db2.gz XVCUZZKJMGBIKD-UHFFFAOYSA-N 1 0 323.845 4.265 20 30 DIEDRO C=CCCc1ccccc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001448237849 1054592277 /nfs/dbraw/zinc/59/22/77/1054592277.db2.gz QXEUZXVHOSPRJO-UHFFFAOYSA-N 1 0 312.457 4.008 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000073012614 1054614272 /nfs/dbraw/zinc/61/42/72/1054614272.db2.gz DBAYLXQBMXLWKH-KRWDZBQOSA-N 1 0 312.388 4.105 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000073012197 1054614753 /nfs/dbraw/zinc/61/47/53/1054614753.db2.gz JYEBMRWQOBVVBR-KRWDZBQOSA-N 1 0 319.408 4.139 20 30 DIEDRO CCc1ccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)cc1 ZINC000073012417 1054615419 /nfs/dbraw/zinc/61/54/19/1054615419.db2.gz CGSWOQFVBFGKNB-LJQANCHMSA-N 1 0 308.425 4.220 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000073012618 1054615541 /nfs/dbraw/zinc/61/55/41/1054615541.db2.gz DBAYLXQBMXLWKH-QGZVFWFLSA-N 1 0 312.388 4.105 20 30 DIEDRO C[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)Cc1ccc(C#N)cc1 ZINC001235039175 1054642778 /nfs/dbraw/zinc/64/27/78/1054642778.db2.gz OCDKDHCHIZBNHA-UHFFFAOYSA-N 1 0 319.383 4.324 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001450407131 1054647520 /nfs/dbraw/zinc/64/75/20/1054647520.db2.gz HQEAPHYLMCUZMM-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000178176728 1054648240 /nfs/dbraw/zinc/64/82/40/1054648240.db2.gz BAICJVWNHMUQMN-CVEARBPZSA-N 1 0 308.425 4.239 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cccc(N2CCCC2)c1 ZINC001235097770 1054657118 /nfs/dbraw/zinc/65/71/18/1054657118.db2.gz ZWZZYUBKMPPOQP-UHFFFAOYSA-N 1 0 306.453 4.475 20 30 DIEDRO C=CCCCCC[N@@H+]1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC001473366718 1054664967 /nfs/dbraw/zinc/66/49/67/1054664967.db2.gz XLWZPAZESGXRMQ-HXUWFJFHSA-N 1 0 300.490 4.329 20 30 DIEDRO CCOCc1ccccc1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921501183 1054670911 /nfs/dbraw/zinc/67/09/11/1054670911.db2.gz JJDVVYZESIBNEO-UHFFFAOYSA-N 1 0 308.425 4.001 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cc2c(cccc2Br)[nH]1 ZINC001235216733 1054684383 /nfs/dbraw/zinc/68/43/83/1054684383.db2.gz DKLHMHYIYCFCNI-UHFFFAOYSA-N 1 0 305.219 4.104 20 30 DIEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2cccc(Cl)c2)CCCC1(C)C ZINC001473433701 1054714986 /nfs/dbraw/zinc/71/49/86/1054714986.db2.gz XQKIAFXVGXIYAT-MRXNPFEDSA-N 1 0 320.864 4.345 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C)c(C(=O)OC)o1)c1ccccc1 ZINC000180045789 1054729334 /nfs/dbraw/zinc/72/93/34/1054729334.db2.gz WJVHRRNGMWFTGU-QGZVFWFLSA-N 1 0 313.397 4.172 20 30 DIEDRO Cc1ccccc1OC1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235512745 1054732628 /nfs/dbraw/zinc/73/26/28/1054732628.db2.gz UXXCNZUMSKROJS-UHFFFAOYSA-N 1 0 320.436 4.105 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001235523118 1054736126 /nfs/dbraw/zinc/73/61/26/1054736126.db2.gz KVEHCGVVLRSFBX-UHFFFAOYSA-N 1 0 308.400 4.271 20 30 DIEDRO C[N@H+](Cc1ccccc1CC#N)Cc1ccccc1C(F)(F)F ZINC001235523206 1054736927 /nfs/dbraw/zinc/73/69/27/1054736927.db2.gz NHZDAOKODFAFQB-UHFFFAOYSA-N 1 0 318.342 4.403 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235522816 1054738253 /nfs/dbraw/zinc/73/82/53/1054738253.db2.gz JSPXOBKDSWTYIC-HXUWFJFHSA-N 1 0 320.436 4.105 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001235524855 1054739030 /nfs/dbraw/zinc/73/90/30/1054739030.db2.gz HIBXZNSGAPPLFI-UHFFFAOYSA-N 1 0 315.420 4.004 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180261809 1054745835 /nfs/dbraw/zinc/74/58/35/1054745835.db2.gz HGKFAXISVRRFSW-LSDHHAIUSA-N 1 0 315.461 4.366 20 30 DIEDRO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)CC1(CC#N)CC1 ZINC001473606730 1054752228 /nfs/dbraw/zinc/75/22/28/1054752228.db2.gz RSTDWEGMQONEIF-OAHLLOKOSA-N 1 0 318.848 4.352 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1ccncc1 ZINC001235622535 1054758092 /nfs/dbraw/zinc/75/80/92/1054758092.db2.gz MQBZINAWRVGERP-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO N#CCC[N@@H+](Cc1ccc(N)c(F)c1)C1CCCCCCC1 ZINC001235663890 1054762941 /nfs/dbraw/zinc/76/29/41/1054762941.db2.gz MWKXYNBQPXAHOD-UHFFFAOYSA-N 1 0 303.425 4.236 20 30 DIEDRO CC(C)(C)c1ccc(C[N@H+](CCC#N)C2CCCC2)c(O)c1 ZINC001235685611 1054776341 /nfs/dbraw/zinc/77/63/41/1054776341.db2.gz SKZQUAMYMIJNRL-UHFFFAOYSA-N 1 0 300.446 4.348 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623915573 1054817951 /nfs/dbraw/zinc/81/79/51/1054817951.db2.gz JRCZNIPNPAUKFD-NXEZZACHSA-N 1 0 306.759 4.239 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1ccc(C(=O)OCC)cn1 ZINC001235871356 1054828952 /nfs/dbraw/zinc/82/89/52/1054828952.db2.gz XYZUJHSFBRMQQH-UHFFFAOYSA-N 1 0 306.450 4.051 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1cc(C)ccc1Br ZINC001474584028 1054831343 /nfs/dbraw/zinc/83/13/43/1054831343.db2.gz ARTSFPFUHHDFCQ-UHFFFAOYSA-N 1 0 308.263 4.431 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(F)c(C#N)c2)nc1 ZINC001235894567 1054833112 /nfs/dbraw/zinc/83/31/12/1054833112.db2.gz YQAJKJRNKLEMKV-LJQANCHMSA-N 1 0 309.388 4.306 20 30 DIEDRO FC(F)(F)CCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849099645 1054837794 /nfs/dbraw/zinc/83/77/94/1054837794.db2.gz AFKLWNFIUXNWLT-UHFFFAOYSA-N 1 0 313.367 4.283 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1-c1ccc(F)c(C#N)c1 ZINC001235897745 1054838000 /nfs/dbraw/zinc/83/80/00/1054838000.db2.gz LZAKTUOFEUDGFR-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO C=CCCC[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623974727 1054844208 /nfs/dbraw/zinc/84/42/08/1054844208.db2.gz NVVWSNYDRZRLCL-JTQLQIEISA-N 1 0 306.759 4.241 20 30 DIEDRO C=CCCC[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623974728 1054844314 /nfs/dbraw/zinc/84/43/14/1054844314.db2.gz NVVWSNYDRZRLCL-SNVBAGLBSA-N 1 0 306.759 4.241 20 30 DIEDRO C=C(CC)C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623996698 1054850731 /nfs/dbraw/zinc/85/07/31/1054850731.db2.gz OVYUPJLHCXKBNW-SNVBAGLBSA-N 1 0 306.759 4.241 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624037646 1054861152 /nfs/dbraw/zinc/86/11/52/1054861152.db2.gz AYYXAZGSYFIAQY-AWEZNQCLSA-N 1 0 315.461 4.223 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000624037330 1054862098 /nfs/dbraw/zinc/86/20/98/1054862098.db2.gz WFIVLFKPSOJXNE-JTQLQIEISA-N 1 0 315.230 4.236 20 30 DIEDRO C=C(C)CCc1ccccc1-c1ccc(N2CC[NH+](C)CC2)nc1 ZINC001235974007 1054876589 /nfs/dbraw/zinc/87/65/89/1054876589.db2.gz XKCRWVOPVTXILM-UHFFFAOYSA-N 1 0 321.468 4.009 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC001350154793 1054882023 /nfs/dbraw/zinc/88/20/23/1054882023.db2.gz NSPKMUDPWVWTEU-UHQQODTQSA-N 1 0 316.395 4.024 20 30 DIEDRO Cc1cnc(-c2cccc(C[NH+]3CCCCC3)c2F)c(C#N)c1 ZINC001236003138 1054888348 /nfs/dbraw/zinc/88/83/48/1054888348.db2.gz SEXCKUXLNHJQHO-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO Cc1cc(C#N)c(-c2cccc(C[NH+]3CCCCC3)c2F)nc1C ZINC001236003524 1054891415 /nfs/dbraw/zinc/89/14/15/1054891415.db2.gz ASOQAUXOZKAEET-UHFFFAOYSA-N 1 0 323.415 4.362 20 30 DIEDRO O/N=C/c1cccc(-c2cccc(C[NH+]3CCCCC3)c2F)c1 ZINC001236015208 1054896695 /nfs/dbraw/zinc/89/66/95/1054896695.db2.gz MCHXNLHUDXLURI-FYJGNVAPSA-N 1 0 312.388 4.287 20 30 DIEDRO COc1cccc(-c2cccc(C[NH+]3CCCCC3)c2F)c1C#N ZINC001236017049 1054899649 /nfs/dbraw/zinc/89/96/49/1054899649.db2.gz XFMUZHUUXGSPKO-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#Cc1cc(-c2ccc(Cl)cc2)ccc1OC1CC[NH2+]CC1 ZINC001236092515 1054939574 /nfs/dbraw/zinc/93/95/74/1054939574.db2.gz YPUVMYXYRMBWRE-UHFFFAOYSA-N 1 0 312.800 4.009 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)c1 ZINC001236191358 1054990712 /nfs/dbraw/zinc/99/07/12/1054990712.db2.gz LFJXTVGHNPOGIE-FQEVSTJZSA-N 1 0 301.393 4.377 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC001236192217 1054991308 /nfs/dbraw/zinc/99/13/08/1054991308.db2.gz OHCFCRMQXVAVOP-OAQYLSRUSA-N 1 0 300.405 4.486 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)c1 ZINC001236191371 1054991863 /nfs/dbraw/zinc/99/18/63/1054991863.db2.gz LFJXTVGHNPOGIE-HXUWFJFHSA-N 1 0 301.393 4.377 20 30 DIEDRO C#Cc1cccc(C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)c1 ZINC001236195144 1054993006 /nfs/dbraw/zinc/99/30/06/1054993006.db2.gz YGBYVHCEXVEKQK-NRFANRHFSA-N 1 0 300.405 4.486 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(C3(C#N)CC3)cn2)c1 ZINC001236316441 1055054060 /nfs/dbraw/zinc/05/40/60/1055054060.db2.gz DURNRRYNRQBTNA-UHFFFAOYSA-N 1 0 323.415 4.285 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cc3cc[nH]c3nc2C#N)c1 ZINC001236326078 1055058383 /nfs/dbraw/zinc/05/83/83/1055058383.db2.gz RYLIICASBPTNRA-UHFFFAOYSA-N 1 0 322.387 4.034 20 30 DIEDRO C=CCCCCCCCCN1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363663 1055075655 /nfs/dbraw/zinc/07/56/55/1055075655.db2.gz VPQRRKPGPVRTPS-LSDHHAIUSA-N 1 0 306.416 4.115 20 30 DIEDRO N#CCSCCC[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000184968704 1055084619 /nfs/dbraw/zinc/08/46/19/1055084619.db2.gz MQLIDTLJSIGOEF-INIZCTEOSA-N 1 0 316.495 4.268 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cncc(OC)c2C)cc1 ZINC001236390405 1055090835 /nfs/dbraw/zinc/09/08/35/1055090835.db2.gz DHMBOXYXGWYLOM-LJQANCHMSA-N 1 0 308.425 4.389 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2cc(F)c(C#N)c(F)c2)cc1 ZINC001236436196 1055112155 /nfs/dbraw/zinc/11/21/55/1055112155.db2.gz IAXZVKKALONJON-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+]CC(C)C)cc2)cc1CC#N ZINC001236436971 1055113401 /nfs/dbraw/zinc/11/34/01/1055113401.db2.gz NOABYZIVVJHTIM-UHFFFAOYSA-N 1 0 308.425 4.174 20 30 DIEDRO C=CCCCCCCCN(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236438382 1055113496 /nfs/dbraw/zinc/11/34/96/1055113496.db2.gz WORHTRBQGHCZKF-HXUWFJFHSA-N 1 0 315.505 4.162 20 30 DIEDRO Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C#N ZINC001236469806 1055129624 /nfs/dbraw/zinc/12/96/24/1055129624.db2.gz MYXKBQRTYFIZJM-MOPGFXCFSA-N 1 0 315.420 4.082 20 30 DIEDRO COc1ccc(C#N)cc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236545158 1055172298 /nfs/dbraw/zinc/17/22/98/1055172298.db2.gz OIWVNSODDAHNAP-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2cc(C#N)ccc2OC)c1F ZINC001236544840 1055172777 /nfs/dbraw/zinc/17/27/77/1055172777.db2.gz CRYDFPLOEBVGDS-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO C#CCN(Cc1cc(Cl)cc(C)n1)[C@@H]1CCc2ccccc21 ZINC001236644002 1055212765 /nfs/dbraw/zinc/21/27/65/1055212765.db2.gz RXJBRYIBZATGQD-LJQANCHMSA-N 1 0 310.828 4.166 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2ccco2)cc1 ZINC000764592316 1055218314 /nfs/dbraw/zinc/21/83/14/1055218314.db2.gz YEBKLSBIVTZZTL-AWEZNQCLSA-N 1 0 305.805 4.304 20 30 DIEDRO C=CCN(C)Cc1cccc(C(F)(F)F)c1Br ZINC001236736604 1055243172 /nfs/dbraw/zinc/24/31/72/1055243172.db2.gz VVYBBSOEEOVGGV-UHFFFAOYSA-N 1 0 308.141 4.086 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(CC)cc1O)[C@@H]1CCc2ccccc21 ZINC001236793892 1055260529 /nfs/dbraw/zinc/26/05/29/1055260529.db2.gz GXCNOTUZZSLPRG-HXUWFJFHSA-N 1 0 305.421 4.077 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1cccnc1Cl)C(C)C ZINC000764874969 1055278867 /nfs/dbraw/zinc/27/88/67/1055278867.db2.gz ILZKTUICQWWCIK-WBVHZDCISA-N 1 0 321.896 4.084 20 30 DIEDRO C[N@H+](Cc1cccs1)Cc1ccc(C#N)c(Br)c1 ZINC001236863434 1055294914 /nfs/dbraw/zinc/29/49/14/1055294914.db2.gz KOAATXWZJOAUNI-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO CC#CCC[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000764976617 1055304819 /nfs/dbraw/zinc/30/48/19/1055304819.db2.gz YURRMNRXZANEAB-HNNXBMFYSA-N 1 0 307.869 4.051 20 30 DIEDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000765013895 1055312168 /nfs/dbraw/zinc/31/21/68/1055312168.db2.gz UIQIUNSTBKOVJG-ZDUSSCGKSA-N 1 0 316.351 4.319 20 30 DIEDRO CCCCN(CCC#N)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236907054 1055312543 /nfs/dbraw/zinc/31/25/43/1055312543.db2.gz ZHAZDIFWCWKPDG-UHFFFAOYSA-N 1 0 316.836 4.041 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OCCC)cc2)cc1 ZINC000765038705 1055316131 /nfs/dbraw/zinc/31/61/31/1055316131.db2.gz OILBXEJCIYFNJX-KRWDZBQOSA-N 1 0 323.436 4.338 20 30 DIEDRO C=CC[NH2+]CCN1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001236977661 1055320603 /nfs/dbraw/zinc/32/06/03/1055320603.db2.gz YZXJFMFPYUIUCX-INIZCTEOSA-N 1 0 312.379 4.008 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1 ZINC001236983173 1055321341 /nfs/dbraw/zinc/32/13/41/1055321341.db2.gz YUWVEWHXDNNTCE-UHFFFAOYSA-N 1 0 322.330 4.265 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236967471 1055322575 /nfs/dbraw/zinc/32/25/75/1055322575.db2.gz NLXWDHFGINUPDV-UHFFFAOYSA-N 1 0 322.468 4.065 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001587551613 1055327395 /nfs/dbraw/zinc/32/73/95/1055327395.db2.gz ZGHZVUYNLFHVKG-ZWKOTPCHSA-N 1 0 310.526 4.172 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001237005504 1055335611 /nfs/dbraw/zinc/33/56/11/1055335611.db2.gz XSMBRTXVESFVSC-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(O)cc2ccccc21 ZINC001237075446 1055359608 /nfs/dbraw/zinc/35/96/08/1055359608.db2.gz CXBNNYOUOPJMIA-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000765370811 1055370164 /nfs/dbraw/zinc/37/01/64/1055370164.db2.gz MNFALYDFPMXSGV-LJQANCHMSA-N 1 0 314.473 4.147 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000765418060 1055384390 /nfs/dbraw/zinc/38/43/90/1055384390.db2.gz XVOPVOGBFDUWSN-KRWDZBQOSA-N 1 0 303.409 4.236 20 30 DIEDRO C=CCC[N@@H+](Cc1sc(=O)[nH]c1Cl)Cc1ccccc1 ZINC001237152512 1055386093 /nfs/dbraw/zinc/38/60/93/1055386093.db2.gz ZETVNJKHNVSBDW-UHFFFAOYSA-N 1 0 308.834 4.080 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2csc(C#N)c2)C(C)C)cc1 ZINC000921513732 1055401072 /nfs/dbraw/zinc/40/10/72/1055401072.db2.gz UOEKRBLGHGHUGU-KRWDZBQOSA-N 1 0 300.427 4.115 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2csc(C#N)c2)C(C)C)cc1 ZINC000921513734 1055401897 /nfs/dbraw/zinc/40/18/97/1055401897.db2.gz UOEKRBLGHGHUGU-QGZVFWFLSA-N 1 0 300.427 4.115 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)cc1 ZINC001237245865 1055407193 /nfs/dbraw/zinc/40/71/93/1055407193.db2.gz JTHLJDZLXUZOQK-QUCCMNQESA-N 1 0 322.839 4.105 20 30 DIEDRO CC[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1OC(F)F ZINC000921524599 1055407458 /nfs/dbraw/zinc/40/74/58/1055407458.db2.gz GTCWHRATBDFKED-CQSZACIVSA-N 1 0 322.380 4.462 20 30 DIEDRO CCCCCCCCN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300927 1055420329 /nfs/dbraw/zinc/42/03/29/1055420329.db2.gz RFIUGTSMZKTQDL-UHFFFAOYSA-N 1 0 300.490 4.441 20 30 DIEDRO COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001237305675 1055424321 /nfs/dbraw/zinc/42/43/21/1055424321.db2.gz CWFUEYNDDAXQNC-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001621458201 1055427725 /nfs/dbraw/zinc/42/77/25/1055427725.db2.gz ZUFUTEWEHPIWPU-LLVKDONJSA-N 1 0 301.739 4.204 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1NC(=O)C(C)(C)C)C(C)(C)C ZINC001237407097 1055447763 /nfs/dbraw/zinc/44/77/63/1055447763.db2.gz AETGVEIVDAICJD-UHFFFAOYSA-N 1 0 302.462 4.458 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ccccc21 ZINC001237466998 1055455144 /nfs/dbraw/zinc/45/51/44/1055455144.db2.gz QIQCVLLLQNVFLI-HNNXBMFYSA-N 1 0 315.420 4.169 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)c2cc(C#N)ccc21 ZINC001237471128 1055458837 /nfs/dbraw/zinc/45/88/37/1055458837.db2.gz PCGAAPKECNLXSC-GOSISDBHSA-N 1 0 321.449 4.449 20 30 DIEDRO COc1c(C)cccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001237510854 1055464704 /nfs/dbraw/zinc/46/47/04/1055464704.db2.gz KYVPLGCONJCSQG-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c(F)cc1F ZINC001237530393 1055469874 /nfs/dbraw/zinc/46/98/74/1055469874.db2.gz OGNFWWJOAJEQSN-SFHVURJKSA-N 1 0 304.384 4.381 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccnc(OC(F)F)c1 ZINC001237615046 1055485051 /nfs/dbraw/zinc/48/50/51/1055485051.db2.gz LCSRSIURXYUYMS-UHFFFAOYSA-N 1 0 318.367 4.261 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001237664005 1055496089 /nfs/dbraw/zinc/49/60/89/1055496089.db2.gz BYEVWHZNYNZSPV-MRXNPFEDSA-N 1 0 306.409 4.185 20 30 DIEDRO N#CC1CC[NH+](Cc2cccc(-c3ccc(F)cc3F)c2)CC1 ZINC001237664630 1055499703 /nfs/dbraw/zinc/49/97/03/1055499703.db2.gz VOGNPDLXRYXMJN-UHFFFAOYSA-N 1 0 312.363 4.367 20 30 DIEDRO CCC[N@H+](CCc1ccccn1)Cc1cc(Cl)cc(C#N)c1 ZINC001237752227 1055520971 /nfs/dbraw/zinc/52/09/71/1055520971.db2.gz DATTZJSGMPEAJW-UHFFFAOYSA-N 1 0 313.832 4.061 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237752820 1055521461 /nfs/dbraw/zinc/52/14/61/1055521461.db2.gz ZYXOKZQFEODNTC-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)C1 ZINC001237774707 1055530032 /nfs/dbraw/zinc/53/00/32/1055530032.db2.gz QTXJIVPOCJDQHY-ZDUSSCGKSA-N 1 0 315.804 4.121 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001237775234 1055530340 /nfs/dbraw/zinc/53/03/40/1055530340.db2.gz VLPQDTUNYWZVQG-ZDUSSCGKSA-N 1 0 315.804 4.121 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC001620916778 1055539398 /nfs/dbraw/zinc/53/93/98/1055539398.db2.gz DWTUVWOYBMEKSH-QFBILLFUSA-N 1 0 313.466 4.486 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC001620916552 1055540270 /nfs/dbraw/zinc/54/02/70/1055540270.db2.gz WBVFRTKMJKVSLE-ZDUSSCGKSA-N 1 0 319.246 4.442 20 30 DIEDRO CC(C)C1=[NH+]CCc2ccc(CN(CCC#N)C3CCCC3)cc21 ZINC001237880121 1055546939 /nfs/dbraw/zinc/54/69/39/1055546939.db2.gz FLIWJTRLUKPOIZ-UHFFFAOYSA-N 1 0 323.484 4.346 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)CCCC1 ZINC001620935254 1055549112 /nfs/dbraw/zinc/54/91/12/1055549112.db2.gz IIKVRVQYBOWOMO-UHFFFAOYSA-N 1 0 314.404 4.306 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C1 ZINC001620933550 1055550211 /nfs/dbraw/zinc/55/02/11/1055550211.db2.gz YBIHSZPRBYUHAK-XJKSGUPXSA-N 1 0 309.400 4.457 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(COCCOC)cc2)CCCCC1 ZINC001620937302 1055551379 /nfs/dbraw/zinc/55/13/79/1055551379.db2.gz LYMOPVOFHGERNW-UHFFFAOYSA-N 1 0 317.473 4.218 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc3nc(Cl)ccc3s2)cc1 ZINC001620942744 1055555870 /nfs/dbraw/zinc/55/58/70/1055555870.db2.gz UNQRJUKXDNUTQN-UHFFFAOYSA-N 1 0 312.825 4.221 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)cc1 ZINC001620942490 1055556116 /nfs/dbraw/zinc/55/61/16/1055556116.db2.gz JAOWESLZJRVLQZ-UHFFFAOYSA-N 1 0 303.327 4.063 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC001620951107 1055566794 /nfs/dbraw/zinc/56/67/94/1055566794.db2.gz ZDAAMLOYTJDFPO-OAQYLSRUSA-N 1 0 304.437 4.459 20 30 DIEDRO C=C[C@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)c1ccccc1 ZINC001594796974 1055572261 /nfs/dbraw/zinc/57/22/61/1055572261.db2.gz BCQTVPXAEMTMPA-FQEVSTJZSA-N 1 0 322.452 4.437 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)cc1 ZINC000765734638 1055572450 /nfs/dbraw/zinc/57/24/50/1055572450.db2.gz BFSPYPLHFUZQNW-IAGOWNOFSA-N 1 0 323.436 4.076 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001620957619 1055582023 /nfs/dbraw/zinc/58/20/23/1055582023.db2.gz LUUFAFKODROLKC-UHOFOFEASA-N 1 0 313.363 4.073 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(C3CCC3)CCC2)cc1OC ZINC001620960105 1055600932 /nfs/dbraw/zinc/60/09/32/1055600932.db2.gz VGDPEBJTQGHDEO-UHFFFAOYSA-N 1 0 315.457 4.320 20 30 DIEDRO CCN(Cc1ccccc1F)Cc1ccc(C#N)cc1Cl ZINC001238086927 1055602840 /nfs/dbraw/zinc/60/28/40/1055602840.db2.gz QQMITMGUSHEYHT-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c(Cl)c1 ZINC001238087281 1055603954 /nfs/dbraw/zinc/60/39/54/1055603954.db2.gz YFURYPMQCASEKG-HNNXBMFYSA-N 1 0 306.812 4.316 20 30 DIEDRO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)ccc1Cl ZINC001238191700 1055617183 /nfs/dbraw/zinc/61/71/83/1055617183.db2.gz PGCCIVDPYLBPAR-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)ccc1Cl ZINC001238195062 1055617870 /nfs/dbraw/zinc/61/78/70/1055617870.db2.gz ZMGYVUFRJHENAO-QGZVFWFLSA-N 1 0 310.828 4.276 20 30 DIEDRO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)ccc1Cl ZINC001238194587 1055618254 /nfs/dbraw/zinc/61/82/54/1055618254.db2.gz QBXYDCGLZKWJQU-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO COc1cc(C[N@@H+]2CCCC[C@H]2c2ccccc2)ccc1C#N ZINC001238409592 1055652840 /nfs/dbraw/zinc/65/28/40/1055652840.db2.gz IUWIBPQUUDCVAG-IBGZPJMESA-N 1 0 306.409 4.294 20 30 DIEDRO COc1cc(C[NH+]2CCC(c3cccs3)CC2)ccc1C#N ZINC001238406586 1055653564 /nfs/dbraw/zinc/65/35/64/1055653564.db2.gz HGMSBWSEHWZJEC-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO COc1cc(C[N@H+](C)C(C)(C)Cc2ccccc2)ccc1C#N ZINC001238415021 1055653648 /nfs/dbraw/zinc/65/36/48/1055653648.db2.gz ZAMWTKYVLQLXKH-UHFFFAOYSA-N 1 0 308.425 4.020 20 30 DIEDRO COc1cc(F)ccc1-c1cccc(C[NH+]2CCC(C#N)CC2)c1 ZINC001238629901 1055704049 /nfs/dbraw/zinc/70/40/49/1055704049.db2.gz GIUWJXDXRXQLFO-UHFFFAOYSA-N 1 0 324.399 4.237 20 30 DIEDRO Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001238664500 1055711102 /nfs/dbraw/zinc/71/11/02/1055711102.db2.gz LYVPWKFBQPOKPH-QGZVFWFLSA-N 1 0 300.446 4.216 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238684556 1055720388 /nfs/dbraw/zinc/72/03/88/1055720388.db2.gz HEUUJFQGJUPYLU-HNNXBMFYSA-N 1 0 310.828 4.247 20 30 DIEDRO CCc1cc(C[N@H+](C)CC/C=C/c2cccnc2)ccc1C#N ZINC001238767823 1055744835 /nfs/dbraw/zinc/74/48/35/1055744835.db2.gz CPVVKAXWDNHLIP-QPJJXVBHSA-N 1 0 305.425 4.051 20 30 DIEDRO CCc1cc(C[NH+]2CCC(Oc3ccccc3)CC2)ccc1C#N ZINC001238767672 1055745056 /nfs/dbraw/zinc/74/50/56/1055745056.db2.gz XUMOIFSPNNJGNN-UHFFFAOYSA-N 1 0 320.436 4.164 20 30 DIEDRO CCc1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)ccc1C#N ZINC001238776034 1055748377 /nfs/dbraw/zinc/74/83/77/1055748377.db2.gz SIGYWZMRCFGPOP-FQEVSTJZSA-N 1 0 305.425 4.243 20 30 DIEDRO Cc1cc(F)cc(Cl)c1CN1CCc2ccc(C#N)cc2C1 ZINC001238779452 1055750157 /nfs/dbraw/zinc/75/01/57/1055750157.db2.gz ALYMERUTJHOYJD-UHFFFAOYSA-N 1 0 314.791 4.218 20 30 DIEDRO CC(C)[C@H]1CCCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001168579458 1055756476 /nfs/dbraw/zinc/75/64/76/1055756476.db2.gz JIQRVUCVDVMOKC-QGZVFWFLSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)([NH3+])c1cccc(-c2ccc(C(F)(F)F)cc2C#N)c1 ZINC001238844940 1055765762 /nfs/dbraw/zinc/76/57/62/1055765762.db2.gz UQYFEPIRZGPGFK-UHFFFAOYSA-N 1 0 304.315 4.438 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001597033625 1055778368 /nfs/dbraw/zinc/77/83/68/1055778368.db2.gz XBBLLPRKEFMVII-INDMIFKZSA-N 1 0 322.537 4.220 20 30 DIEDRO CCCCCCCCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001597189247 1055798804 /nfs/dbraw/zinc/79/88/04/1055798804.db2.gz CIADERSVIMMMPU-MJGOQNOKSA-N 1 0 310.526 4.364 20 30 DIEDRO COc1ccccc1/C=C\C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC001620974561 1055814840 /nfs/dbraw/zinc/81/48/40/1055814840.db2.gz QEBOBBYEIKJUDU-VORVDVFJSA-N 1 0 318.420 4.247 20 30 DIEDRO CC[NH+](CC)CCn1cc(-c2ccc([C@@H](C#N)C(C)C)cc2)cn1 ZINC001239208212 1055851056 /nfs/dbraw/zinc/85/10/56/1055851056.db2.gz ISZFNESHUOKUKC-FQEVSTJZSA-N 1 0 324.472 4.155 20 30 DIEDRO CCCCCCCNC(=O)N(C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239303622 1055862757 /nfs/dbraw/zinc/86/27/57/1055862757.db2.gz DNZKGSRVGDSIBP-SAABIXHNSA-N 1 0 323.525 4.181 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](C)C[C@H]1CC ZINC001569545726 1055864471 /nfs/dbraw/zinc/86/44/71/1055864471.db2.gz SIOBVHYSKVHSQS-SWNWVQGVSA-N 1 0 308.510 4.236 20 30 DIEDRO CCCCCCCCOC(=O)Nc1ccc2c(c1)CC[NH2+]C2 ZINC001239312831 1055866269 /nfs/dbraw/zinc/86/62/69/1055866269.db2.gz CIFKJLVSOLRSMX-UHFFFAOYSA-N 1 0 304.434 4.241 20 30 DIEDRO CCCCCCCCOC(=O)Nc1ccc2c(c1)C[C@H]([NH3+])C2 ZINC001239313746 1055866902 /nfs/dbraw/zinc/86/69/02/1055866902.db2.gz WLDDNJNCTPGEQP-MRXNPFEDSA-N 1 0 304.434 4.022 20 30 DIEDRO CCCCCCCCCCOC(=O)N1CCC12CC[NH2+]CC2 ZINC001239331695 1055873122 /nfs/dbraw/zinc/87/31/22/1055873122.db2.gz KVZZNQOGELHAFQ-UHFFFAOYSA-N 1 0 310.482 4.092 20 30 DIEDRO CCCCCCCCCOC(=O)N1CCC2(CC[C@H]2[NH3+])CC1 ZINC001239341711 1055875831 /nfs/dbraw/zinc/87/58/31/1055875831.db2.gz SEVYZLUIAUCNIA-MRXNPFEDSA-N 1 0 310.482 4.077 20 30 DIEDRO CCCCCCCCCNC(=S)Nc1cccc2c1C[NH2+]C2 ZINC001239344410 1055877510 /nfs/dbraw/zinc/87/75/10/1055877510.db2.gz MYYSWLWAUKTBCX-UHFFFAOYSA-N 1 0 319.518 4.327 20 30 DIEDRO CCCCCCCCCCCCNC(=S)N(CC)CC[NH3+] ZINC001239445275 1055889323 /nfs/dbraw/zinc/88/93/23/1055889323.db2.gz KNIDXAREYIVFDH-UHFFFAOYSA-N 1 0 315.571 4.062 20 30 DIEDRO C[C@@H]1CC[C@H](C)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001615645451 1055928139 /nfs/dbraw/zinc/92/81/39/1055928139.db2.gz YZOQHVPBYCJISK-UONOGXRCSA-N 1 0 311.347 4.057 20 30 DIEDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)ccc1C#N ZINC001620758816 1055930305 /nfs/dbraw/zinc/93/03/05/1055930305.db2.gz YHJBRHGJFPKADR-SNRMKQJTSA-N 1 0 314.473 4.365 20 30 DIEDRO C=CCc1cc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC001620781006 1055948542 /nfs/dbraw/zinc/94/85/42/1055948542.db2.gz LEJKRUQVGZJQEB-HUUCEWRRSA-N 1 0 317.473 4.347 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC001620782810 1055950841 /nfs/dbraw/zinc/95/08/41/1055950841.db2.gz IFFHGJAXWKBVDC-PWSUYJOCSA-N 1 0 300.265 4.345 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC001620984685 1055956119 /nfs/dbraw/zinc/95/61/19/1055956119.db2.gz BATAUKZNUJOCMK-UYAOXDASSA-N 1 0 304.437 4.381 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC001620984954 1055956240 /nfs/dbraw/zinc/95/62/40/1055956240.db2.gz MWISERVLSKAYEP-UHFFFAOYSA-N 1 0 302.377 4.302 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)[C@H]2CCCCO2)cc1Cl ZINC001620987352 1055960724 /nfs/dbraw/zinc/96/07/24/1055960724.db2.gz RUPLTIZGELMFSZ-SJLPKXTDSA-N 1 0 323.864 4.342 20 30 DIEDRO C#CCCCCCC[N@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C ZINC001620598126 1055974202 /nfs/dbraw/zinc/97/42/02/1055974202.db2.gz RCDSGOSXEIBVEL-UHFFFAOYSA-N 1 0 324.509 4.147 20 30 DIEDRO C=CCOCCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC001621007728 1055974719 /nfs/dbraw/zinc/97/47/19/1055974719.db2.gz KXYVFYYLQBSRKI-UHFFFAOYSA-N 1 0 307.743 4.041 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)C1 ZINC001621010243 1055976075 /nfs/dbraw/zinc/97/60/75/1055976075.db2.gz FFIDZHGINFSRDN-LUKYLMHMSA-N 1 0 322.493 4.109 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccccc1 ZINC001168594188 1055977238 /nfs/dbraw/zinc/97/72/38/1055977238.db2.gz OZPSIUCUAPUTPX-MSOLQXFVSA-N 1 0 314.473 4.198 20 30 DIEDRO Cc1cccnc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001620664875 1055977862 /nfs/dbraw/zinc/97/78/62/1055977862.db2.gz PFODVFLIRRNDES-LBPRGKRZSA-N 1 0 319.330 4.131 20 30 DIEDRO C=C(C)CC[N@@H+]1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 ZINC001620687283 1055978695 /nfs/dbraw/zinc/97/86/95/1055978695.db2.gz MOKSSEQVZIDKHM-UHFFFAOYSA-N 1 0 316.445 4.358 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC001621016581 1055981843 /nfs/dbraw/zinc/98/18/43/1055981843.db2.gz NZTDWZWSPGJRSI-UHFFFAOYSA-N 1 0 309.475 4.395 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC2(SCC)CC2)ccc1OC ZINC001621014957 1055982001 /nfs/dbraw/zinc/98/20/01/1055982001.db2.gz HXHJHOFOOUTYLE-UHFFFAOYSA-N 1 0 321.486 4.025 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001621028506 1055993457 /nfs/dbraw/zinc/99/34/57/1055993457.db2.gz FXRZPDUZSHMCDE-IEBWSBKVSA-N 1 0 300.490 4.089 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccncc1 ZINC001620800073 1055994709 /nfs/dbraw/zinc/99/47/09/1055994709.db2.gz WVJHVPBJNNOREK-MRXNPFEDSA-N 1 0 317.230 4.251 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1ccco1 ZINC000671761901 1055998024 /nfs/dbraw/zinc/99/80/24/1055998024.db2.gz DLZBQSKPWAJPAU-HZPDHXFCSA-N 1 0 301.434 4.050 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001621045590 1056004350 /nfs/dbraw/zinc/00/43/50/1056004350.db2.gz AAASAOIIUIJHSQ-OAHLLOKOSA-N 1 0 321.873 4.485 20 30 DIEDRO C#CC1([NH2+]Cc2cc(Cl)ccc2Br)CCCC1 ZINC001621045319 1056004718 /nfs/dbraw/zinc/00/47/18/1056004718.db2.gz QMHQRNWNRGDKMK-UHFFFAOYSA-N 1 0 312.638 4.138 20 30 DIEDRO CCC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC001620811672 1056005584 /nfs/dbraw/zinc/00/55/84/1056005584.db2.gz DUWWREGQHCTIDI-FQEVSTJZSA-N 1 0 322.452 4.458 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1ncccc1C#C[Si](C)(C)C ZINC001239680764 1056023209 /nfs/dbraw/zinc/02/32/09/1056023209.db2.gz HLOBRFBBPOHKEZ-UHFFFAOYSA-N 1 0 308.501 4.039 20 30 DIEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC001621339225 1056045671 /nfs/dbraw/zinc/04/56/71/1056045671.db2.gz FKEXTOWWUXHMBJ-XLIONFOSSA-N 1 0 305.425 4.017 20 30 DIEDRO C=CC(C)(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001540579580 1056046489 /nfs/dbraw/zinc/04/64/89/1056046489.db2.gz AWYQBIJTJCUJRQ-INIZCTEOSA-N 1 0 322.880 4.051 20 30 DIEDRO C=C[C@H](CC)CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001540757545 1056072142 /nfs/dbraw/zinc/07/21/42/1056072142.db2.gz IVKQSRPKEVBRHZ-MRXNPFEDSA-N 1 0 300.446 4.213 20 30 DIEDRO C[C@@H](C#N)C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000617849023 1056088312 /nfs/dbraw/zinc/08/83/12/1056088312.db2.gz NRFLGEAXDQEDAK-FUJMWEONSA-N 1 0 310.363 4.481 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C)c1cc(F)ccc1F ZINC000186322542 1056101911 /nfs/dbraw/zinc/10/19/11/1056101911.db2.gz QXJRACCYAKOKPH-GOSISDBHSA-N 1 0 300.352 4.386 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000186319460 1056102077 /nfs/dbraw/zinc/10/20/77/1056102077.db2.gz WLWMTAVGOGVRKF-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001611178519 1056121294 /nfs/dbraw/zinc/12/12/94/1056121294.db2.gz UHMXSJINFFMWMI-QZTJIDSGSA-N 1 0 310.526 4.362 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CCC2CC2)ccc1OC ZINC000186404768 1056154907 /nfs/dbraw/zinc/15/49/07/1056154907.db2.gz WBKBAJWGMJCUDG-RHSMWYFYSA-N 1 0 316.445 4.044 20 30 DIEDRO N#Cc1c(F)cc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)cc1F ZINC001239921227 1056161255 /nfs/dbraw/zinc/16/12/55/1056161255.db2.gz VWXOHRSTGKOGHW-UHFFFAOYSA-N 1 0 324.374 4.071 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2cc(F)c(C#N)c(F)c2)cc1F ZINC001239931561 1056167749 /nfs/dbraw/zinc/16/77/49/1056167749.db2.gz NFWSJLSQEPWYHH-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001543592862 1056259597 /nfs/dbraw/zinc/25/95/97/1056259597.db2.gz NKRGAPGTDLADQB-QZTJIDSGSA-N 1 0 308.510 4.212 20 30 DIEDRO Cc1cc(C#N)nc(Nc2ccc(N3CCCCCC3)cc2C)n1 ZINC001612362197 1056276699 /nfs/dbraw/zinc/27/66/99/1056276699.db2.gz FXFAFBYJUHZWBP-UHFFFAOYSA-N 1 0 321.428 4.089 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1CC#N ZINC001240058654 1056293220 /nfs/dbraw/zinc/29/32/20/1056293220.db2.gz FMKWRBUDGHHTRL-UHFFFAOYSA-N 1 0 306.409 4.024 20 30 DIEDRO COc1ccc(CC#N)cc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240060484 1056296182 /nfs/dbraw/zinc/29/61/82/1056296182.db2.gz YQJGDQUWZYTWFZ-UHFFFAOYSA-N 1 0 306.409 4.024 20 30 DIEDRO N#CCc1c[nH]c2cccc(-c3ccc(C[NH+]4CCCC4)cc3)c12 ZINC001240060591 1056297294 /nfs/dbraw/zinc/29/72/94/1056297294.db2.gz OMWNXALWPQQODV-UHFFFAOYSA-N 1 0 315.420 4.497 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000301535520 1056334132 /nfs/dbraw/zinc/33/41/32/1056334132.db2.gz LMFWPSUMTSNHCS-UZLBHIALSA-N 1 0 305.425 4.023 20 30 DIEDRO C[C@@H]1C[C@H](Nc2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000301565524 1056334156 /nfs/dbraw/zinc/33/41/56/1056334156.db2.gz WBYYEAYTGPBWHC-NVXWUHKLSA-N 1 0 323.415 4.162 20 30 DIEDRO N#CCN1CCC([NH2+]C2CCCCCCCCCCC2)CC1 ZINC000765855284 1056339887 /nfs/dbraw/zinc/33/98/87/1056339887.db2.gz CWEUMUYOWJAESI-UHFFFAOYSA-N 1 0 305.510 4.237 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(C#N)c(F)c2)c1 ZINC001240162480 1056359393 /nfs/dbraw/zinc/35/93/93/1056359393.db2.gz MURHLXCQUPVRRF-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO N#Cc1ccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)cc1F ZINC001240162463 1056359426 /nfs/dbraw/zinc/35/94/26/1056359426.db2.gz MKTKXDBYEUKUBH-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO COc1ccc(-c2ccc(C#N)c(F)c2)cc1C[NH+]1CCCCC1 ZINC001240162481 1056360901 /nfs/dbraw/zinc/36/09/01/1056360901.db2.gz MUSVXULFVVMRPR-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#Cc1c[nH]c2cc(-c3cccc(C[NH+]4CCCCC4)c3)cnc12 ZINC001240174844 1056363503 /nfs/dbraw/zinc/36/35/03/1056363503.db2.gz QVNQGUOVGMJNJX-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO C=CCC1(C(=O)NCCCC[NH+]2CCC(C)CC2)CCCCC1 ZINC001544193342 1056378969 /nfs/dbraw/zinc/37/89/69/1056378969.db2.gz CAVPXWGLXLIZBC-UHFFFAOYSA-N 1 0 320.521 4.141 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000765908519 1056381214 /nfs/dbraw/zinc/38/12/14/1056381214.db2.gz OQGLRHOPECXNFX-IBGZPJMESA-N 1 0 323.436 4.427 20 30 DIEDRO N#Cc1cc(-c2cc(F)cc(C(F)(F)F)c2)cc(C2C[NH2+]C2)c1 ZINC001240345820 1056438721 /nfs/dbraw/zinc/43/87/21/1056438721.db2.gz QCQRRJMGFJFROY-UHFFFAOYSA-N 1 0 320.289 4.070 20 30 DIEDRO N#Cc1cc(-c2c(F)cccc2C(F)(F)F)cc(C2C[NH2+]C2)c1 ZINC001240345631 1056439099 /nfs/dbraw/zinc/43/90/99/1056439099.db2.gz MVFHIEDXKPSXBX-UHFFFAOYSA-N 1 0 320.289 4.070 20 30 DIEDRO COc1cccc2c(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cccc12 ZINC001240345468 1056439191 /nfs/dbraw/zinc/43/91/91/1056439191.db2.gz IFKROFXNBSNPFG-UHFFFAOYSA-N 1 0 314.388 4.074 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001584897673 1056439619 /nfs/dbraw/zinc/43/96/19/1056439619.db2.gz SVCKOXYYXKQBMS-NZHZHZHDSA-N 1 0 308.510 4.236 20 30 DIEDRO Cc1cc(S[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC001614553066 1056440061 /nfs/dbraw/zinc/44/00/61/1056440061.db2.gz PDUGTZBXAXFGBG-IBGZPJMESA-N 1 0 308.450 4.233 20 30 DIEDRO Cc1csc2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc12 ZINC001240351363 1056442439 /nfs/dbraw/zinc/44/24/39/1056442439.db2.gz PHLZEAVJKWQORU-UHFFFAOYSA-N 1 0 304.418 4.435 20 30 DIEDRO N#CCc1cc2ccccc2c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240360858 1056445839 /nfs/dbraw/zinc/44/58/39/1056445839.db2.gz IYJCNIMUOHHRAT-UHFFFAOYSA-N 1 0 323.399 4.131 20 30 DIEDRO C=CCn1ccc2c1ncnc2-c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001240362207 1056447476 /nfs/dbraw/zinc/44/74/76/1056447476.db2.gz ZWLAKOSUJJJFEZ-UHFFFAOYSA-N 1 0 320.440 4.172 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2cc(C3(C#N)CC3)ccn2)cc1 ZINC001240368064 1056454098 /nfs/dbraw/zinc/45/40/98/1056454098.db2.gz OQZHREVVJVMTBD-UHFFFAOYSA-N 1 0 305.425 4.192 20 30 DIEDRO CC[N@H+](Cc1cn2c(cccc2C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477266 1056464467 /nfs/dbraw/zinc/46/44/67/1056464467.db2.gz UHGIDNXLOQICKU-INIZCTEOSA-N 1 0 318.424 4.098 20 30 DIEDRO CCC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC001615170056 1056469766 /nfs/dbraw/zinc/46/97/66/1056469766.db2.gz WBPROCVUSYZYQM-FXAWDEMLSA-N 1 0 314.473 4.366 20 30 DIEDRO N#Cc1c(F)ccc(C2=CCC[N@H+](Cc3ccccc3)C2)c1F ZINC001240388590 1056471044 /nfs/dbraw/zinc/47/10/44/1056471044.db2.gz GXNBMMVWLBTGSG-UHFFFAOYSA-N 1 0 310.347 4.126 20 30 DIEDRO Cc1cccc(OCC[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)c1 ZINC001615194213 1056473544 /nfs/dbraw/zinc/47/35/44/1056473544.db2.gz ACFKHDLXIOWGLA-UHFFFAOYSA-N 1 0 314.816 4.031 20 30 DIEDRO CCOC(=O)CCCCC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC001615229107 1056480261 /nfs/dbraw/zinc/48/02/61/1056480261.db2.gz DZRIBDCFVFDUHY-INIZCTEOSA-N 1 0 316.445 4.065 20 30 DIEDRO N#Cc1cc(-c2cncc(C[NH+]3CCCCC3)c2)ccc1Cl ZINC001240403542 1056483942 /nfs/dbraw/zinc/48/39/42/1056483942.db2.gz OQOCRPIQRUPNQN-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC001615251525 1056485434 /nfs/dbraw/zinc/48/54/34/1056485434.db2.gz BBQNPXNAAGHZTD-NRFANRHFSA-N 1 0 313.404 4.444 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cccc2ncccc12 ZINC001615367354 1056498870 /nfs/dbraw/zinc/49/88/70/1056498870.db2.gz WAVLVRBMXAFVBN-UHFFFAOYSA-N 1 0 302.421 4.466 20 30 DIEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001615401654 1056505895 /nfs/dbraw/zinc/50/58/95/1056505895.db2.gz JBZCQRDDPFNAQZ-HNNXBMFYSA-N 1 0 321.262 4.331 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)cc1F ZINC000921808487 1056510498 /nfs/dbraw/zinc/51/04/98/1056510498.db2.gz AHLMYPWLIVNBKY-CQSZACIVSA-N 1 0 312.388 4.174 20 30 DIEDRO C=C1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC001615441283 1056510647 /nfs/dbraw/zinc/51/06/47/1056510647.db2.gz RGYCYORZFXEWQN-MRXNPFEDSA-N 1 0 306.247 4.479 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC001585225165 1056511795 /nfs/dbraw/zinc/51/17/95/1056511795.db2.gz SCCKMHHSVNNOHJ-ROUUACIJSA-N 1 0 308.510 4.070 20 30 DIEDRO COc1ccc([C@@H](C)N(C)Cc2cn3ccccc3c2C#N)cc1 ZINC000073986800 1056515053 /nfs/dbraw/zinc/51/50/53/1056515053.db2.gz SAOXGJYYHBWJNQ-OAHLLOKOSA-N 1 0 319.408 4.013 20 30 DIEDRO CCC[N@H+](CCc1ccc(C#N)cc1)CCc1cccc(F)c1 ZINC001615481631 1056518249 /nfs/dbraw/zinc/51/82/49/1056518249.db2.gz SXTNGSJXDOGXAD-UHFFFAOYSA-N 1 0 310.416 4.195 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC001615496828 1056520122 /nfs/dbraw/zinc/52/01/22/1056520122.db2.gz MNUYVDOYZADUDR-GOSISDBHSA-N 1 0 303.446 4.165 20 30 DIEDRO N#CC1(c2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc2)CCCC1 ZINC001240455717 1056520267 /nfs/dbraw/zinc/52/02/67/1056520267.db2.gz FFXGERUEHVCWHQ-UHFFFAOYSA-N 1 0 302.421 4.335 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC001615500360 1056523532 /nfs/dbraw/zinc/52/35/32/1056523532.db2.gz JCEJSRKYIOIYLN-FQEVSTJZSA-N 1 0 320.436 4.082 20 30 DIEDRO C=CC[N@H+](CC1CCCCC1)[C@@H]1CCc2ccccc2NC1=O ZINC001615506369 1056524371 /nfs/dbraw/zinc/52/43/71/1056524371.db2.gz ZISISYLCCVGZBT-LJQANCHMSA-N 1 0 312.457 4.008 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC001615497300 1056524601 /nfs/dbraw/zinc/52/46/01/1056524601.db2.gz ZBILAJFGHTWVDY-HXUWFJFHSA-N 1 0 310.441 4.149 20 30 DIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000921833309 1056529712 /nfs/dbraw/zinc/52/97/12/1056529712.db2.gz VLPSWIXKJVECNH-AWEZNQCLSA-N 1 0 311.454 4.071 20 30 DIEDRO CC(C)C[N@H+](CCC#N)CCn1ccc2cc(Cl)ccc21 ZINC001615595405 1056543694 /nfs/dbraw/zinc/54/36/94/1056543694.db2.gz APWBQIOCMIBMGJ-UHFFFAOYSA-N 1 0 303.837 4.166 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001615601351 1056544666 /nfs/dbraw/zinc/54/46/66/1056544666.db2.gz SKTSKRANYYXADV-HNNXBMFYSA-N 1 0 322.880 4.023 20 30 DIEDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001615660310 1056555150 /nfs/dbraw/zinc/55/51/50/1056555150.db2.gz IUGLGGIDYQSMFH-ZFWWWQNUSA-N 1 0 311.347 4.057 20 30 DIEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001615660307 1056556262 /nfs/dbraw/zinc/55/62/62/1056556262.db2.gz IUGLGGIDYQSMFH-DZGCQCFKSA-N 1 0 311.347 4.057 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)C1(CC)CC ZINC001615998030 1056605657 /nfs/dbraw/zinc/60/56/57/1056605657.db2.gz AIEYJBSTAURWKD-RTBURBONSA-N 1 0 314.473 4.168 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C)C1(CC)CC ZINC001615998960 1056606077 /nfs/dbraw/zinc/60/60/77/1056606077.db2.gz MDDFXBIKFMKABB-RTBURBONSA-N 1 0 314.473 4.282 20 30 DIEDRO C=C(CC)C[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001616012562 1056606086 /nfs/dbraw/zinc/60/60/86/1056606086.db2.gz AZNNAYMHUZOODJ-QAPCUYQASA-N 1 0 310.482 4.016 20 30 DIEDRO CC(C)CC[C@H]1CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001616309437 1056631996 /nfs/dbraw/zinc/63/19/96/1056631996.db2.gz QGCBYUZHUZXLGW-GOSISDBHSA-N 1 0 300.446 4.228 20 30 DIEDRO C[C@H](Nc1ccc(F)cc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310141680 1056634474 /nfs/dbraw/zinc/63/44/74/1056634474.db2.gz NDJLTBBFULWIJW-DOTOQJQBSA-N 1 0 323.415 4.020 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(-c2ccccc2OC)no1)C1CC1 ZINC000658358096 1056648652 /nfs/dbraw/zinc/64/86/52/1056648652.db2.gz SRABIWAFZKASTL-QGZVFWFLSA-N 1 0 312.413 4.185 20 30 DIEDRO CCCOc1ccc2c(c1)CC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC001616455150 1056659951 /nfs/dbraw/zinc/65/99/51/1056659951.db2.gz CEQSAIYRSJAIQU-MRXNPFEDSA-N 1 0 320.436 4.466 20 30 DIEDRO COCC#CC[NH2+][C@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC001616601592 1056684476 /nfs/dbraw/zinc/68/44/76/1056684476.db2.gz VXZDQDATMYLXMM-MRXNPFEDSA-N 1 0 313.363 4.032 20 30 DIEDRO Cc1cccc([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)c1C ZINC001616816419 1056722127 /nfs/dbraw/zinc/72/21/27/1056722127.db2.gz KAQMGTZURHUJOS-KRWDZBQOSA-N 1 0 308.425 4.295 20 30 DIEDRO C=C(Cl)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC001616856982 1056728924 /nfs/dbraw/zinc/72/89/24/1056728924.db2.gz OTFFNVNXFONZCA-GOSISDBHSA-N 1 0 319.807 4.460 20 30 DIEDRO CO[C@@H](C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC001616899031 1056735968 /nfs/dbraw/zinc/73/59/68/1056735968.db2.gz NSPUQEAQJRRFBJ-NRFANRHFSA-N 1 0 324.468 4.243 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CC[C@H]3CCCC3(F)F)CC2)cc1 ZINC001616899982 1056737195 /nfs/dbraw/zinc/73/71/95/1056737195.db2.gz XRCUPSGKAWMULW-GOSISDBHSA-N 1 0 316.395 4.473 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC1CCC(C#N)CC1)[C@@H]2C ZINC001617124012 1056779715 /nfs/dbraw/zinc/77/97/15/1056779715.db2.gz ZYLGCMRNVBZGIJ-NJINODPHSA-N 1 0 312.457 4.333 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC1CCC(C#N)CC1)[C@H]2C ZINC001617124011 1056779930 /nfs/dbraw/zinc/77/99/30/1056779930.db2.gz ZYLGCMRNVBZGIJ-JUVOFCAFSA-N 1 0 312.457 4.333 20 30 DIEDRO CSCc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000922073209 1056781091 /nfs/dbraw/zinc/78/10/91/1056781091.db2.gz PIQJPKJNFDFUDV-LJQANCHMSA-N 1 0 308.450 4.198 20 30 DIEDRO C#CC(C)(C)[N@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC001617183211 1056789404 /nfs/dbraw/zinc/78/94/04/1056789404.db2.gz UDJUHLYLXFOJSZ-UHFFFAOYSA-N 1 0 313.363 4.208 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(OC)ccc1Br ZINC001617190912 1056791906 /nfs/dbraw/zinc/79/19/06/1056791906.db2.gz KHPFCNMRTMEUDA-UHFFFAOYSA-N 1 0 312.251 4.246 20 30 DIEDRO CCCC[N@@H+](Cc1ccccc1O)CC1CCC(C#N)CC1 ZINC001617539649 1056847193 /nfs/dbraw/zinc/84/71/93/1056847193.db2.gz VSQWRBCHGWKJIV-UHFFFAOYSA-N 1 0 300.446 4.324 20 30 DIEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc2c(Br)cccc12 ZINC001617603971 1056856178 /nfs/dbraw/zinc/85/61/78/1056856178.db2.gz LRYLGJDLUJFGIJ-GFCCVEGCSA-N 1 0 302.215 4.056 20 30 DIEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2cc(C)cc(C)c2)CCCC1(C)C ZINC001617604300 1056856288 /nfs/dbraw/zinc/85/62/88/1056856288.db2.gz RQMRFJPTYNLCOC-SFHVURJKSA-N 1 0 314.473 4.309 20 30 DIEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccc(C)c(C)c2)CCCC1(C)C ZINC001617604516 1056856981 /nfs/dbraw/zinc/85/69/81/1056856981.db2.gz UJENNHJTKQAXRF-SFHVURJKSA-N 1 0 314.473 4.309 20 30 DIEDRO C#CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC001617627617 1056860825 /nfs/dbraw/zinc/86/08/25/1056860825.db2.gz IEDFLKWVFHYCSA-WCIQWLHISA-N 1 0 305.506 4.222 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000078613015 1056861067 /nfs/dbraw/zinc/86/10/67/1056861067.db2.gz FTBJHLYHLARBRH-MRXNPFEDSA-N 1 0 317.820 4.300 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cs1 ZINC000922155718 1056862635 /nfs/dbraw/zinc/86/26/35/1056862635.db2.gz BNMJCEKHCLAPTB-AAEUAGOBSA-N 1 0 302.365 4.221 20 30 DIEDRO CCOc1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)ccc1F ZINC001241071467 1056863348 /nfs/dbraw/zinc/86/33/48/1056863348.db2.gz WAWCYJACHOGVRO-UHFFFAOYSA-N 1 0 324.399 4.036 20 30 DIEDRO C=CC[N@@H+](CCOC)[C@@H](CC)c1ccc(Br)cc1 ZINC001617655066 1056864935 /nfs/dbraw/zinc/86/49/35/1056864935.db2.gz YOWMFQJWPLDRQW-HNNXBMFYSA-N 1 0 312.251 4.035 20 30 DIEDRO C[N@H+](Cc1ccc(Br)cc1C#N)[C@@H]1CCC(C)(C)C1 ZINC001617687941 1056869484 /nfs/dbraw/zinc/86/94/84/1056869484.db2.gz WIHQQRPZMIBMTJ-OAHLLOKOSA-N 1 0 321.262 4.331 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](OC)c1ccccc1 ZINC000555012500 1056890986 /nfs/dbraw/zinc/89/09/86/1056890986.db2.gz DRBVZJFWOLDIJU-HXUWFJFHSA-N 1 0 308.425 4.158 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)c1 ZINC000066971891 1056908107 /nfs/dbraw/zinc/90/81/07/1056908107.db2.gz WGGXQFSALCVNDI-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001617998037 1056912046 /nfs/dbraw/zinc/91/20/46/1056912046.db2.gz IDROGRIADZONBD-NSHGMRRFSA-N 1 0 322.537 4.173 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)ccc1F ZINC001618114446 1056924758 /nfs/dbraw/zinc/92/47/58/1056924758.db2.gz RAOIESFYOGLIFS-CQSZACIVSA-N 1 0 301.792 4.490 20 30 DIEDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(CC#N)cc1)C(C)(C)C2 ZINC001618138702 1056927383 /nfs/dbraw/zinc/92/73/83/1056927383.db2.gz FATHPGBJNCCIMG-UHFFFAOYSA-N 1 0 304.437 4.398 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccncc1 ZINC000785468351 1057006375 /nfs/dbraw/zinc/00/63/75/1057006375.db2.gz HTTQCISZQBJYJK-HNNXBMFYSA-N 1 0 311.410 4.205 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)c(CC#N)c1 ZINC001241388563 1057034835 /nfs/dbraw/zinc/03/48/35/1057034835.db2.gz FEPOXZKYUHXOQU-UHFFFAOYSA-N 1 0 320.436 4.414 20 30 DIEDRO N#Cc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001241389703 1057035629 /nfs/dbraw/zinc/03/56/29/1057035629.db2.gz XCGXNSYQSCACIU-UHFFFAOYSA-N 1 0 301.393 4.083 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)cc2OC)nc1 ZINC001241396603 1057037860 /nfs/dbraw/zinc/03/78/60/1057037860.db2.gz DTGVMTZKZCJMLS-LJQANCHMSA-N 1 0 321.424 4.176 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(F)ccc1OC ZINC000922622117 1057040166 /nfs/dbraw/zinc/04/01/66/1057040166.db2.gz PKFYPTNFBJMLPX-QGZVFWFLSA-N 1 0 316.351 4.086 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cc(F)ccc1OC ZINC000922621702 1057040620 /nfs/dbraw/zinc/04/06/20/1057040620.db2.gz NARJACQXJUBXLE-OAHLLOKOSA-N 1 0 304.390 4.008 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1C#N ZINC000922760696 1057056404 /nfs/dbraw/zinc/05/64/04/1057056404.db2.gz ZEYOKNBURSXIRQ-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO N#CCc1ccc(F)cc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241503971 1057073733 /nfs/dbraw/zinc/07/37/33/1057073733.db2.gz KMZRLJAOFVEULE-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO N#Cc1cc2[nH]ccc2c(C2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001241506379 1057076597 /nfs/dbraw/zinc/07/65/97/1057076597.db2.gz DHZDLJYXNKNCAE-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO N#Cc1c(F)ccc(C2=CC[N@H+](Cc3ccccc3)CC2)c1F ZINC001241506349 1057077620 /nfs/dbraw/zinc/07/76/20/1057077620.db2.gz CVINBNYADSRZQE-UHFFFAOYSA-N 1 0 310.347 4.126 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000922885492 1057083351 /nfs/dbraw/zinc/08/33/51/1057083351.db2.gz QIKIFPOQJISEIF-SFHVURJKSA-N 1 0 305.425 4.050 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2nc(C)c(C)c(C)c2C#N)cc1 ZINC001241578677 1057095141 /nfs/dbraw/zinc/09/51/41/1057095141.db2.gz NFRRDLZGWGJXAU-UHFFFAOYSA-N 1 0 307.441 4.387 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2c(C)nc(OC)c(C#N)c2C)cc1 ZINC001241580938 1057096848 /nfs/dbraw/zinc/09/68/48/1057096848.db2.gz OROZMYHSNUWNNN-UHFFFAOYSA-N 1 0 323.440 4.088 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(OCCC#N)cc2)cc1 ZINC001241582934 1057097615 /nfs/dbraw/zinc/09/76/15/1057097615.db2.gz KZTQWGVCYLPBNV-UHFFFAOYSA-N 1 0 308.425 4.488 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](CC)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766018439 1057108749 /nfs/dbraw/zinc/10/87/49/1057108749.db2.gz HYAOBENPQPFSLR-ZWKOTPCHSA-N 1 0 324.424 4.211 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCCc2nc(CC)sc21)c1ccncc1 ZINC000766018250 1057109089 /nfs/dbraw/zinc/10/90/89/1057109089.db2.gz GUWCEDNLYLHDAC-LSDHHAIUSA-N 1 0 313.470 4.385 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(F)c1)c1ccncc1 ZINC000766020587 1057117487 /nfs/dbraw/zinc/11/74/87/1057117487.db2.gz QNOVFEWKQKREJJ-DYVFJYSZSA-N 1 0 300.377 4.197 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 ZINC000766020511 1057118477 /nfs/dbraw/zinc/11/84/77/1057118477.db2.gz PYXUHOLQCSWCNE-JXFKEZNVSA-N 1 0 318.424 4.235 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 ZINC000766020516 1057118805 /nfs/dbraw/zinc/11/88/05/1057118805.db2.gz PYXUHOLQCSWCNE-UZLBHIALSA-N 1 0 318.424 4.235 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)CCc1ccc(OC)cc1)c1ccncc1 ZINC000766021890 1057122589 /nfs/dbraw/zinc/12/25/89/1057122589.db2.gz VHDQUQKNUXLEHM-OXQOHEQNSA-N 1 0 310.441 4.318 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1 ZINC001241735637 1057151199 /nfs/dbraw/zinc/15/11/99/1057151199.db2.gz VSLRPVQIMDLSTH-IBGZPJMESA-N 1 0 318.424 4.135 20 30 DIEDRO O/N=C/c1cccc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001241759582 1057159296 /nfs/dbraw/zinc/15/92/96/1057159296.db2.gz HTZMQPBAXLUNCU-LTGZKZEYSA-N 1 0 324.424 4.026 20 30 DIEDRO C#Cc1cccc(-c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)c1 ZINC001241921444 1057211882 /nfs/dbraw/zinc/21/18/82/1057211882.db2.gz CDBKNLHGWXEDTA-QKLQHJQFSA-N 1 0 313.404 4.024 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000674251594 1057222000 /nfs/dbraw/zinc/22/20/00/1057222000.db2.gz TWVQCBRSUGFOFE-HNNXBMFYSA-N 1 0 319.326 4.139 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]C[C@@H]3CCSC3)c2)s1 ZINC000785473342 1057266441 /nfs/dbraw/zinc/26/64/41/1057266441.db2.gz DRCYNBYPLUJAKU-AWEZNQCLSA-N 1 0 314.479 4.129 20 30 DIEDRO N#Cc1c2ccccc2cnc1-c1cccc(C[NH+]2CCCC2)c1 ZINC001242117995 1057268167 /nfs/dbraw/zinc/26/81/67/1057268167.db2.gz QJBKNEQNLZCSTK-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](SC)C2)cc1 ZINC000766062036 1057268549 /nfs/dbraw/zinc/26/85/49/1057268549.db2.gz UCGQIJIGUBMQDI-YXJHDRRASA-N 1 0 303.471 4.023 20 30 DIEDRO N#CC1(c2ccccc2/C=C/Cc2ccccc2)CC[NH2+]CC1 ZINC001242142723 1057277881 /nfs/dbraw/zinc/27/78/81/1057277881.db2.gz VAMIPQDLRBAZJE-IZZDOVSWSA-N 1 0 302.421 4.087 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166713 1057300615 /nfs/dbraw/zinc/30/06/15/1057300615.db2.gz OFEPOMHQNRYPRR-HXUWFJFHSA-N 1 0 315.505 4.018 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc3cccnc3c2)CC[NH2+]CC1 ZINC001242252767 1057312777 /nfs/dbraw/zinc/31/27/77/1057312777.db2.gz ISITZTDOCZVJIB-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO C#Cc1ccc(-c2ccc(CO[C@H]3CCCC[C@@H]3[NH3+])c(F)c2)cc1 ZINC001242295297 1057325135 /nfs/dbraw/zinc/32/51/35/1057325135.db2.gz VIYUJZNODUQEGX-SFTDATJTSA-N 1 0 323.411 4.261 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cccc(OC)c2C#N)c1 ZINC001242299760 1057326258 /nfs/dbraw/zinc/32/62/58/1057326258.db2.gz XEJQMAXJPRTKIA-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1C1=CC(=O)CC(C)(C)C1 ZINC001242317961 1057332454 /nfs/dbraw/zinc/33/24/54/1057332454.db2.gz IWGMBGGRPNGCGF-UHFFFAOYSA-N 1 0 315.457 4.310 20 30 DIEDRO CC[NH+](CC)Cc1cccc(C2=CC(=O)CC(C)(C)C2)c1F ZINC001242317814 1057332713 /nfs/dbraw/zinc/33/27/13/1057332713.db2.gz BYVSJZWFTPJODG-UHFFFAOYSA-N 1 0 303.421 4.440 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000785477949 1057348386 /nfs/dbraw/zinc/34/83/86/1057348386.db2.gz CCBHOWVKTARLNB-AWEZNQCLSA-N 1 0 323.827 4.457 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000174110698 1057350476 /nfs/dbraw/zinc/35/04/76/1057350476.db2.gz UGBLFOLNWGQJJX-WBAXXEDZSA-N 1 0 300.446 4.050 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(C#N)cc1 ZINC000174110537 1057350713 /nfs/dbraw/zinc/35/07/13/1057350713.db2.gz AQAFGQCLLLDDSE-OAHLLOKOSA-N 1 0 306.409 4.340 20 30 DIEDRO N#CC1(c2ccccc2-c2cccc3ccncc32)CC[NH2+]CC1 ZINC001242370560 1057350804 /nfs/dbraw/zinc/35/08/04/1057350804.db2.gz NDBBSZBCHIWJHV-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(COc3ccccc3)cc2)o1 ZINC000174269013 1057355530 /nfs/dbraw/zinc/35/55/30/1057355530.db2.gz VCDOFMPQXMTYTL-UHFFFAOYSA-N 1 0 318.376 4.020 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000174320478 1057357734 /nfs/dbraw/zinc/35/77/34/1057357734.db2.gz LTLJTHRBJXXWFP-GFCCVEGCSA-N 1 0 323.421 4.434 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1ccc(C#N)o1 ZINC000174329496 1057358093 /nfs/dbraw/zinc/35/80/93/1057358093.db2.gz UNRWYKAOBPUZMM-JTQLQIEISA-N 1 0 309.196 4.179 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000174338046 1057359001 /nfs/dbraw/zinc/35/90/01/1057359001.db2.gz XFPSEJDWWCAAQJ-UHFFFAOYSA-N 1 0 322.330 4.237 20 30 DIEDRO Cc1cc(C#N)ccc1-c1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001242472390 1057376568 /nfs/dbraw/zinc/37/65/68/1057376568.db2.gz YENMTTYBUUXIBO-INIZCTEOSA-N 1 0 305.425 4.303 20 30 DIEDRO Cc1cc(C#N)ccc1-c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001242474120 1057377184 /nfs/dbraw/zinc/37/71/84/1057377184.db2.gz IRTJSLMGXVEFBB-NHCUHLMSSA-N 1 0 320.436 4.320 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(C#N)cc2C)ccc1OC ZINC001242475024 1057377433 /nfs/dbraw/zinc/37/74/33/1057377433.db2.gz CTQYYTKOYKRQIG-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO Cc1ccc(C#N)cc1-c1ccccc1CO[C@H]1CCCC[C@@H]1[NH3+] ZINC001242543628 1057399219 /nfs/dbraw/zinc/39/92/19/1057399219.db2.gz HYEQTRDNVSTXCC-SFTDATJTSA-N 1 0 320.436 4.320 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cc(C#N)ccc2C)ccc1OC ZINC001242544206 1057399884 /nfs/dbraw/zinc/39/98/84/1057399884.db2.gz IWXDSJQGOTXQOQ-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(O)c(C#N)c2)cc1 ZINC001242565722 1057407089 /nfs/dbraw/zinc/40/70/89/1057407089.db2.gz AXSKZDQBBLDFAO-IBGZPJMESA-N 1 0 304.393 4.254 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2ccc(OC3CC[NH2+]CC3)cc2)c1 ZINC001242569974 1057408577 /nfs/dbraw/zinc/40/85/77/1057408577.db2.gz YJHMRQJYFCAGQB-UHFFFAOYSA-N 1 0 312.800 4.009 20 30 DIEDRO N#CC1(c2ccccc2-c2cccc(F)c2Cl)CC[NH2+]CC1 ZINC001242574825 1057411027 /nfs/dbraw/zinc/41/10/27/1057411027.db2.gz IRUBHAPCVYZTPQ-UHFFFAOYSA-N 1 0 314.791 4.291 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2C#N)nc1 ZINC001242580570 1057413214 /nfs/dbraw/zinc/41/32/14/1057413214.db2.gz IKKZCVZMEDNHEM-CQSZACIVSA-N 1 0 309.388 4.134 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(C)cc2C#N)ccc1OC ZINC001242594578 1057418102 /nfs/dbraw/zinc/41/81/02/1057418102.db2.gz QAUDBCVPHJYORI-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000675933341 1057434966 /nfs/dbraw/zinc/43/49/66/1057434966.db2.gz BUPIESGWLJFKMF-HOTGVXAUSA-N 1 0 321.424 4.138 20 30 DIEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000675933989 1057435662 /nfs/dbraw/zinc/43/56/62/1057435662.db2.gz ZRBMPLUIVOSNGV-SMDDNHRTSA-N 1 0 302.418 4.491 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000675933986 1057435869 /nfs/dbraw/zinc/43/58/69/1057435869.db2.gz ZRBMPLUIVOSNGV-BXUZGUMPSA-N 1 0 302.418 4.491 20 30 DIEDRO C[C@H]1CC(=O)C=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)C1 ZINC001242741629 1057464439 /nfs/dbraw/zinc/46/44/39/1057464439.db2.gz WMMFOGSUASHIAL-OAHLLOKOSA-N 1 0 322.452 4.189 20 30 DIEDRO C[C@H]1CC(=O)C=C(c2ccc3[nH]cc(C[C@H]4CCC[N@@H+]4C)c3c2)C1 ZINC001242744913 1057465647 /nfs/dbraw/zinc/46/56/47/1057465647.db2.gz IRNBVKJZCZELPW-RDTXWAMCSA-N 1 0 322.452 4.187 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3ccc(C#N)c(C)c3)c(C)c2)CC1 ZINC001242766403 1057467810 /nfs/dbraw/zinc/46/78/10/1057467810.db2.gz BZXUQZZSKKORQC-UHFFFAOYSA-N 1 0 317.436 4.346 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(C#N)c(C)c2)ccc1OC ZINC001242769271 1057469277 /nfs/dbraw/zinc/46/92/77/1057469277.db2.gz LHIBEIXSGIUYDV-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc3ccccc3n2)CC[NH2+]CC1 ZINC001242776675 1057470946 /nfs/dbraw/zinc/47/09/46/1057470946.db2.gz MMXJFNXUNSIEDD-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO Oc1ccc([C@@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)cc1 ZINC000676632368 1057490041 /nfs/dbraw/zinc/49/00/41/1057490041.db2.gz QKOWCRMZEBMBHW-IBGZPJMESA-N 1 0 311.812 4.234 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000676638755 1057491593 /nfs/dbraw/zinc/49/15/93/1057491593.db2.gz AHSWSBPTELQOSY-AUUYWEPGSA-N 1 0 320.427 4.126 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000676724334 1057497756 /nfs/dbraw/zinc/49/77/56/1057497756.db2.gz AJMQLOHVPDMXIM-OAHLLOKOSA-N 1 0 309.335 4.226 20 30 DIEDRO Cc1ccc2ccccc2c1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001242983015 1057536074 /nfs/dbraw/zinc/53/60/74/1057536074.db2.gz HYAJQFJAWZGBJW-UHFFFAOYSA-N 1 0 313.404 4.118 20 30 DIEDRO C=CCC1([NH2+]Cc2cncn2Cc2ccccc2)CCCCC1 ZINC000625934720 1057538847 /nfs/dbraw/zinc/53/88/47/1057538847.db2.gz YESZZXBZAMWIFN-UHFFFAOYSA-N 1 0 309.457 4.300 20 30 DIEDRO C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2CC#N)cc1 ZINC001242992815 1057539267 /nfs/dbraw/zinc/53/92/67/1057539267.db2.gz WQOVTLZWZMWFRD-UHFFFAOYSA-N 1 0 304.315 4.158 20 30 DIEDRO C=CCC1([NH2+]CCc2nc(-c3ccccc3)no2)CCCCC1 ZINC000625936527 1057539707 /nfs/dbraw/zinc/53/97/07/1057539707.db2.gz PABJBXPFGBOKOR-UHFFFAOYSA-N 1 0 311.429 4.148 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)c1ccco1 ZINC000671762128 1057558575 /nfs/dbraw/zinc/55/85/75/1057558575.db2.gz DADDXTOUIATQME-UYAOXDASSA-N 1 0 313.441 4.118 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CCC1 ZINC000611120179 1057583358 /nfs/dbraw/zinc/58/33/58/1057583358.db2.gz BSUFARSDFQNIQD-MRXNPFEDSA-N 1 0 320.436 4.415 20 30 DIEDRO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)CC(C)(C)CCC#N ZINC000611266733 1057587024 /nfs/dbraw/zinc/58/70/24/1057587024.db2.gz FSLWAPWPZUIJLJ-RBUKOAKNSA-N 1 0 314.473 4.416 20 30 DIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C1CC1 ZINC000611257759 1057587220 /nfs/dbraw/zinc/58/72/20/1057587220.db2.gz IKDUNQNJARIFKB-UHFFFAOYSA-N 1 0 320.436 4.084 20 30 DIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccncc1 ZINC000611255207 1057587656 /nfs/dbraw/zinc/58/76/56/1057587656.db2.gz ARJJKSUVBJNUMO-MDMXATFFSA-N 1 0 319.452 4.179 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000611255165 1057587724 /nfs/dbraw/zinc/58/77/24/1057587724.db2.gz RGOAHKDDQCQUJA-NLMOZGTASA-N 1 0 316.448 4.320 20 30 DIEDRO C[C@H]([NH2+]CCSc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000611389102 1057594762 /nfs/dbraw/zinc/59/47/62/1057594762.db2.gz XBUZQRMSLFYCBR-ZDUSSCGKSA-N 1 0 300.402 4.140 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Oc1ccccc1F ZINC000611393473 1057594986 /nfs/dbraw/zinc/59/49/86/1057594986.db2.gz UPNCGYIAIGVQQA-LIRRHRJNSA-N 1 0 324.399 4.132 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000611393066 1057595183 /nfs/dbraw/zinc/59/51/83/1057595183.db2.gz GVYYIQYHDJRBKD-VLIAUNLRSA-N 1 0 308.425 4.448 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(C)c1 ZINC000611394279 1057595971 /nfs/dbraw/zinc/59/59/71/1057595971.db2.gz ARZUUFGWGZPZFF-FQEVSTJZSA-N 1 0 306.409 4.043 20 30 DIEDRO COc1cccc(C[C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394242 1057596042 /nfs/dbraw/zinc/59/60/42/1057596042.db2.gz YEBRDOYENMNXAA-YCRPNKLZSA-N 1 0 320.436 4.165 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1COc2c1cccc2Cl ZINC000611394304 1057596280 /nfs/dbraw/zinc/59/62/80/1057596280.db2.gz BSVCKXIOQPHJSV-QZTJIDSGSA-N 1 0 324.811 4.312 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000611394599 1057596431 /nfs/dbraw/zinc/59/64/31/1057596431.db2.gz SABIGALECGGGMP-QUCCMNQESA-N 1 0 324.468 4.407 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cccc(F)c1F ZINC000611394212 1057596695 /nfs/dbraw/zinc/59/66/95/1057596695.db2.gz VLKVUFVDFLPKKF-SFHVURJKSA-N 1 0 312.363 4.046 20 30 DIEDRO COCCC1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCCC1 ZINC000611393980 1057596718 /nfs/dbraw/zinc/59/67/18/1057596718.db2.gz VWYNCHXSPLJKQA-IBGZPJMESA-N 1 0 312.457 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCOC1CCCCC1 ZINC000611390095 1057597342 /nfs/dbraw/zinc/59/73/42/1057597342.db2.gz BQFTYPZFXHIVCR-HXUWFJFHSA-N 1 0 312.457 4.265 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)ccn1 ZINC000611402908 1057597373 /nfs/dbraw/zinc/59/73/73/1057597373.db2.gz ACSWCDQTDFMXRF-IBGZPJMESA-N 1 0 309.388 4.113 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611396340 1057597487 /nfs/dbraw/zinc/59/74/87/1057597487.db2.gz MOWLZMMDPPYHNO-SFHVURJKSA-N 1 0 313.832 4.484 20 30 DIEDRO CCOCc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611390466 1057597598 /nfs/dbraw/zinc/59/75/98/1057597598.db2.gz CTYSTZNNWXFXQC-NRFANRHFSA-N 1 0 320.436 4.262 20 30 DIEDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]Cc2ccnc(C#N)c2)cc1 ZINC000611391184 1057598228 /nfs/dbraw/zinc/59/82/28/1057598228.db2.gz YXIHOQSWJWUAHI-UHFFFAOYSA-N 1 0 307.441 4.276 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)c(C)c2)cc1 ZINC001243193198 1057599396 /nfs/dbraw/zinc/59/93/96/1057599396.db2.gz OASZFTUSHZKIIV-NRFANRHFSA-N 1 0 307.437 4.477 20 30 DIEDRO Cc1csc(C2([NH2+][C@@H]3CCCc4cc(C#N)ccc43)CCC2)n1 ZINC000611471338 1057602418 /nfs/dbraw/zinc/60/24/18/1057602418.db2.gz UZYYVNLCHPVAQV-QGZVFWFLSA-N 1 0 323.465 4.370 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc([S@@](C)=O)cc2)CCCC1 ZINC001118420368 1057613147 /nfs/dbraw/zinc/61/31/47/1057613147.db2.gz OLBUWSJTNYWBKN-OAQYLSRUSA-N 1 0 305.487 4.040 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000727109557 1057634469 /nfs/dbraw/zinc/63/44/69/1057634469.db2.gz QRLQRSAKSCSEND-SFHVURJKSA-N 1 0 308.510 4.214 20 30 DIEDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(N=Cc3cccc(O)c3O)c2C1 ZINC000727685478 1057663737 /nfs/dbraw/zinc/66/37/37/1057663737.db2.gz ORWMPZUKZGBERL-AWEZNQCLSA-N 1 0 324.424 4.209 20 30 DIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000727839068 1057676332 /nfs/dbraw/zinc/67/63/32/1057676332.db2.gz VMHQEFLWNXNOOG-UYAOXDASSA-N 1 0 313.489 4.485 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C3(C#N)CC3)cc2)nc1 ZINC001243420481 1057678595 /nfs/dbraw/zinc/67/85/95/1057678595.db2.gz LNARPLKDZUYPPQ-FQEVSTJZSA-N 1 0 317.436 4.461 20 30 DIEDRO N#CC1(c2ccc(-c3cnccc3C[NH+]3CCCCC3)cc2)CC1 ZINC001243423788 1057679806 /nfs/dbraw/zinc/67/98/06/1057679806.db2.gz JFQIQKPWRBEKRW-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000730109629 1057702992 /nfs/dbraw/zinc/70/29/92/1057702992.db2.gz UQRFGPAWKCSELN-QRWLVFNGSA-N 1 0 306.409 4.063 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2ccccc2OCC#N)c1F ZINC001243586833 1057725399 /nfs/dbraw/zinc/72/53/99/1057725399.db2.gz PNJLQWKMJBDBRO-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO N#CCOc1ccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)cc1 ZINC001243591849 1057726854 /nfs/dbraw/zinc/72/68/54/1057726854.db2.gz ZEUGGKZONQBKRF-UHFFFAOYSA-N 1 0 324.399 4.381 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)cc1C#N ZINC001168765347 1057734883 /nfs/dbraw/zinc/73/48/83/1057734883.db2.gz IMPAYSYKSWHFEZ-HXUWFJFHSA-N 1 0 310.416 4.363 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731210442 1057737026 /nfs/dbraw/zinc/73/70/26/1057737026.db2.gz NKSOWZRPJYLBAI-AWEZNQCLSA-N 1 0 314.816 4.435 20 30 DIEDRO CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731210607 1057737443 /nfs/dbraw/zinc/73/74/43/1057737443.db2.gz VKNFTWFBPQHVPW-QGZVFWFLSA-N 1 0 308.425 4.390 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000731211652 1057738105 /nfs/dbraw/zinc/73/81/05/1057738105.db2.gz SPAMCGBAQRZOHD-FQEVSTJZSA-N 1 0 306.409 4.235 20 30 DIEDRO CCC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCc2ccccc21 ZINC000731212194 1057738115 /nfs/dbraw/zinc/73/81/15/1057738115.db2.gz YINIXFUUDDXXMD-OAQYLSRUSA-N 1 0 320.436 4.488 20 30 DIEDRO N#CCOc1ccc(C[NH+]2CCC(C3CCCCC3)CC2)cc1 ZINC000731211357 1057738132 /nfs/dbraw/zinc/73/81/32/1057738132.db2.gz HZNVGOROKAXFTK-UHFFFAOYSA-N 1 0 312.457 4.381 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(F)c(C#N)c3F)cc2)CC1 ZINC001243658854 1057746095 /nfs/dbraw/zinc/74/60/95/1057746095.db2.gz VZSDYUYXPPBRIW-UHFFFAOYSA-N 1 0 312.363 4.313 20 30 DIEDRO CC[NH+]1CCC(c2ccc(-c3ccc(OC)cc3C#N)cc2)CC1 ZINC001243731763 1057765379 /nfs/dbraw/zinc/76/53/79/1057765379.db2.gz CAVMASKIXRZZQK-UHFFFAOYSA-N 1 0 320.436 4.433 20 30 DIEDRO COc1ccc(-c2ccc3c(c2)C(C(C)C)=[NH+]CC3)c(C#N)c1 ZINC001243730772 1057765464 /nfs/dbraw/zinc/76/54/64/1057765464.db2.gz MDOUFQKXVJKGRB-UHFFFAOYSA-N 1 0 304.393 4.235 20 30 DIEDRO C=CC1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000732206291 1057769400 /nfs/dbraw/zinc/76/94/00/1057769400.db2.gz XXGRPAYXARVBFD-UHFFFAOYSA-N 1 0 323.465 4.461 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)cc1 ZINC000732232636 1057771652 /nfs/dbraw/zinc/77/16/52/1057771652.db2.gz NPXYIFCMMAWDFS-SXGZJXTBSA-N 1 0 306.409 4.001 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000733313563 1057811515 /nfs/dbraw/zinc/81/15/15/1057811515.db2.gz WVSRISRNAGBEJU-OAQYLSRUSA-N 1 0 320.436 4.143 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000733323229 1057811997 /nfs/dbraw/zinc/81/19/97/1057811997.db2.gz RLFGYWRLIVDTLZ-UHFFFAOYSA-N 1 0 313.828 4.074 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000733324976 1057812701 /nfs/dbraw/zinc/81/27/01/1057812701.db2.gz PFSAAWIXPTWATN-UHFFFAOYSA-N 1 0 317.388 4.248 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1 ZINC000733327085 1057813080 /nfs/dbraw/zinc/81/30/80/1057813080.db2.gz JWXCEASGPQGVAO-NRFANRHFSA-N 1 0 305.421 4.256 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCc3ccc(C)cc32)cc1 ZINC000733328203 1057813821 /nfs/dbraw/zinc/81/38/21/1057813821.db2.gz KTFWNWPIFALFKQ-NRFANRHFSA-N 1 0 305.421 4.174 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CC(C)(c3ccccc3)C2)cc1 ZINC000733326638 1057814159 /nfs/dbraw/zinc/81/41/59/1057814159.db2.gz QHWMARKOBNDRJY-YLZJTPGZSA-N 1 0 320.436 4.187 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc3nccnc3c2)cc1 ZINC001244043081 1057846853 /nfs/dbraw/zinc/84/68/53/1057846853.db2.gz LJMJUKBVBMLOSC-IBGZPJMESA-N 1 0 316.408 4.015 20 30 DIEDRO C[N@@H+]1CC[C@H](c2ccc(-c3cccc(C4(C#N)CC4)c3)cc2)C1 ZINC001244076327 1057859852 /nfs/dbraw/zinc/85/98/52/1057859852.db2.gz OYQRTBKISXJBLQ-IBGZPJMESA-N 1 0 302.421 4.328 20 30 DIEDRO Cc1ccc(-c2ccc(C#N)cc2N)c(C[NH+]2CCCCC2)c1 ZINC001244092926 1057866669 /nfs/dbraw/zinc/86/66/69/1057866669.db2.gz DACHTCZGNDAOPG-UHFFFAOYSA-N 1 0 305.425 4.102 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(N)c(C#N)c2)cc1 ZINC001244116878 1057873803 /nfs/dbraw/zinc/87/38/03/1057873803.db2.gz UPWQLNRDYGDISJ-HXUWFJFHSA-N 1 0 303.409 4.130 20 30 DIEDRO N#Cc1ccc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)c(Cl)c1 ZINC001244326650 1057934339 /nfs/dbraw/zinc/93/43/39/1057934339.db2.gz BWUWWCISFROHHN-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO N#Cc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)c(F)c2)c(Cl)c1 ZINC001244329253 1057934753 /nfs/dbraw/zinc/93/47/53/1057934753.db2.gz PKXQDWCYDSPQMK-KRWDZBQOSA-N 1 0 300.764 4.442 20 30 DIEDRO N#Cc1ccc(-c2cc(C[NH+]3CCCCC3)ccn2)c(Cl)c1 ZINC001244329166 1057934767 /nfs/dbraw/zinc/93/47/67/1057934767.db2.gz QWJYBWGWFXTKCI-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO COc1ccc(-c2cc(C[NH+]3CCCC3)ccc2C)cc1C#N ZINC001244711227 1058033486 /nfs/dbraw/zinc/03/34/86/1058033486.db2.gz YWNYNXSSMKOBOT-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO C[NH+](C)CCc1c[nH]c2ccc(-c3cccc(Cl)c3C#N)cc12 ZINC001244735333 1058036847 /nfs/dbraw/zinc/03/68/47/1058036847.db2.gz KXOVARPMWCOXHJ-UHFFFAOYSA-N 1 0 323.827 4.464 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1cccc(C#N)c1C ZINC001244819842 1058052231 /nfs/dbraw/zinc/05/22/31/1058052231.db2.gz FSXIKAOUXXQNEF-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(CO)cc(OC)c2)cc1 ZINC001244841704 1058057060 /nfs/dbraw/zinc/05/70/60/1058057060.db2.gz IAMUAZWSTAFREF-NRFANRHFSA-N 1 0 323.436 4.177 20 30 DIEDRO C[NH2+]Cc1cccc(-c2ccc(-c3ccc(C#N)o3)cc2)c1F ZINC001244863523 1058059978 /nfs/dbraw/zinc/05/99/78/1058059978.db2.gz WSWQJFKDMPXYAS-UHFFFAOYSA-N 1 0 306.340 4.344 20 30 DIEDRO CCc1cc(-c2ccc(C[NH+]3CCCCC3)cn2)ccc1C#N ZINC001244954817 1058080422 /nfs/dbraw/zinc/08/04/22/1058080422.db2.gz VDDUBXGFWDPAFR-UHFFFAOYSA-N 1 0 305.425 4.169 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(F)c(OC)c2)cc1 ZINC001245079424 1058107724 /nfs/dbraw/zinc/10/77/24/1058107724.db2.gz DZIVINBKJUSANR-QGZVFWFLSA-N 1 0 312.388 4.219 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2ccc3[nH]cc(C#N)c3c2)cc1 ZINC001245338539 1058146349 /nfs/dbraw/zinc/14/63/49/1058146349.db2.gz KXZWHYWYCXZVEH-UHFFFAOYSA-N 1 0 319.408 4.037 20 30 DIEDRO N#Cc1ccc(C(F)(F)F)nc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245345661 1058148634 /nfs/dbraw/zinc/14/86/34/1058148634.db2.gz DKIGSNHVMOIUKT-AWEZNQCLSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1cnc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c2sccc21 ZINC001245349402 1058149607 /nfs/dbraw/zinc/14/96/07/1058149607.db2.gz MMJNBAFASLSJSZ-MRXNPFEDSA-N 1 0 305.406 4.259 20 30 DIEDRO C[Si](C)(C)C#Cc1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cn1 ZINC001245355044 1058151104 /nfs/dbraw/zinc/15/11/04/1058151104.db2.gz IMXOBRZUNOTITF-HXUWFJFHSA-N 1 0 320.512 4.402 20 30 DIEDRO N#CCc1c[nH]c2cccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)c12 ZINC001245358682 1058151716 /nfs/dbraw/zinc/15/17/16/1058151716.db2.gz YINTYEOZKAJEBD-SFHVURJKSA-N 1 0 301.393 4.325 20 30 DIEDRO N#Cc1cc(-c2ccc(C3CC[NH2+]CC3)cc2)nc2ccccc12 ZINC001245524765 1058199240 /nfs/dbraw/zinc/19/92/40/1058199240.db2.gz SYAHZNLMJLAGEP-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO N#CCc1cc(C(F)(F)F)ccc1-c1ccc2c[nH+]cn2c1 ZINC001245896641 1058608021 /nfs/dbraw/zinc/60/80/21/1058608021.db2.gz RHYYLICDGTYPHL-UHFFFAOYSA-N 1 0 301.271 4.086 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2nc3c(cc2C#N)CCCC3(C)C)cc1 ZINC001245908129 1058610427 /nfs/dbraw/zinc/61/04/27/1058610427.db2.gz ZGQACQMGFDJZOQ-UHFFFAOYSA-N 1 0 319.452 4.428 20 30 DIEDRO Cc1c(C#N)c(-c2ccc(C(C)(C)[NH3+])cc2)nc2ccccc12 ZINC001245907738 1058610512 /nfs/dbraw/zinc/61/05/12/1058610512.db2.gz WTTCWUUQFWLSKV-UHFFFAOYSA-N 1 0 301.393 4.276 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC001556564367 1058612135 /nfs/dbraw/zinc/61/21/35/1058612135.db2.gz MDERIRZTXWGXQF-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2cc(OC(F)F)ccc2C#N)cc1 ZINC001245909256 1058612370 /nfs/dbraw/zinc/61/23/70/1058612370.db2.gz KOWZIYDVCDJVDU-UHFFFAOYSA-N 1 0 302.324 4.020 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC001246011294 1058655408 /nfs/dbraw/zinc/65/54/08/1058655408.db2.gz QUTWDCZGLZFXRE-YLJYHZDGSA-N 1 0 316.489 4.411 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CCc1ccc(N)cc1 ZINC001246021966 1058656075 /nfs/dbraw/zinc/65/60/75/1058656075.db2.gz XWSIKPIIYSLCRM-HXUWFJFHSA-N 1 0 320.521 4.293 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246134929 1058692139 /nfs/dbraw/zinc/69/21/39/1058692139.db2.gz PYRONJNJZRHSMH-UMQXSMKFSA-N 1 0 324.553 4.405 20 30 DIEDRO C#Cc1ccc(CN2CC3(C2)C[NH+](C[C@@H](CC)CCCC)C3)cc1 ZINC001278436803 1058750128 /nfs/dbraw/zinc/75/01/28/1058750128.db2.gz WGOPAZAVUKUKSM-FQEVSTJZSA-N 1 0 324.512 4.002 20 30 DIEDRO CCCCCCCCCCC[C@@H](CC)[NH2+]C[C@H](N)COC ZINC001246241459 1058764817 /nfs/dbraw/zinc/76/48/17/1058764817.db2.gz RWBMYALXMNYFFP-ZWKOTPCHSA-N 1 0 300.531 4.249 20 30 DIEDRO CCCCCCC[C@@H](CC)NC1(C(F)(F)F)CC[NH2+]CC1 ZINC001246258465 1058778107 /nfs/dbraw/zinc/77/81/07/1058778107.db2.gz CUGSYTIJXUYZIJ-CQSZACIVSA-N 1 0 308.432 4.400 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001557975390 1058825385 /nfs/dbraw/zinc/82/53/85/1058825385.db2.gz CGHMPHATPLZFBL-FUTHQCHMSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)N[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316674 1058826820 /nfs/dbraw/zinc/82/68/20/1058826820.db2.gz JFYGCZGAEJXLDM-BDXSIMOUSA-N 1 0 316.489 4.211 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001246338235 1058850041 /nfs/dbraw/zinc/85/00/41/1058850041.db2.gz DKISRMKAMLFSBB-SLFFLAALSA-N 1 0 317.521 4.461 20 30 DIEDRO C=CCC[C@H](C(=O)Nc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC001558590754 1058886661 /nfs/dbraw/zinc/88/66/61/1058886661.db2.gz ZSDGTYXHJOKKKW-SFHVURJKSA-N 1 0 305.381 4.023 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001246488101 1058965386 /nfs/dbraw/zinc/96/53/86/1058965386.db2.gz HPHWBDCIZFBFFJ-NJDAHSKKSA-N 1 0 306.453 4.387 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4CNc5ccccc5[C@H]4C3)C[C@H](C1)C2 ZINC001246634172 1059036642 /nfs/dbraw/zinc/03/66/42/1059036642.db2.gz PJAKITRUJFVBHF-KWADOOBBSA-N 1 0 308.469 4.262 20 30 DIEDRO C[C@]1(CNc2cc(F)ccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001559180072 1059063087 /nfs/dbraw/zinc/06/30/87/1059063087.db2.gz SQUZGFKWNRYIBG-HXUWFJFHSA-N 1 0 323.415 4.021 20 30 DIEDRO C#C[C@@H](Nc1cc(CC)nc(CC)n1)c1ccc(Cl)cc1F ZINC001559187621 1059073150 /nfs/dbraw/zinc/07/31/50/1059073150.db2.gz BKCSZNBPEYLXAA-OAHLLOKOSA-N 1 0 317.795 4.180 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@H](N(CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771234 1059075722 /nfs/dbraw/zinc/07/57/22/1059075722.db2.gz XAXZNCNMGFEEGW-MOPGFXCFSA-N 1 0 319.537 4.482 20 30 DIEDRO C=CCC[C@H](C)N(CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC001246826129 1059110454 /nfs/dbraw/zinc/11/04/54/1059110454.db2.gz WTQFZJMWVXRYOI-LBPRGKRZSA-N 1 0 301.261 4.109 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246838027 1059120230 /nfs/dbraw/zinc/12/02/30/1059120230.db2.gz ACJBVCNSQCKJSL-NHCUHLMSSA-N 1 0 306.453 4.168 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246838030 1059120476 /nfs/dbraw/zinc/12/04/76/1059120476.db2.gz ACJBVCNSQCKJSL-SFTDATJTSA-N 1 0 306.453 4.168 20 30 DIEDRO C=C(C)CCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001531178116 1059247697 /nfs/dbraw/zinc/24/76/97/1059247697.db2.gz RZUNMMSEVUALOO-UHFFFAOYSA-N 1 0 318.486 4.169 20 30 DIEDRO C=CCCCCc1nc2cccc(F)c2n1CC1CC[NH2+]CC1 ZINC001247037516 1059256126 /nfs/dbraw/zinc/25/61/26/1059256126.db2.gz VNGNVZWPIQMHEK-UHFFFAOYSA-N 1 0 315.436 4.074 20 30 DIEDRO CCC[N@H+](CCCOCc1ccccc1)Cc1ccc(C#N)cc1 ZINC001559484286 1059257938 /nfs/dbraw/zinc/25/79/38/1059257938.db2.gz NXVHJQJXUQDAIP-UHFFFAOYSA-N 1 0 322.452 4.377 20 30 DIEDRO C=C(C)[C@@H]1CC=C(c2nc3ccccc3n2[C@H]2CC[NH2+]C2)CC1 ZINC001247047864 1059272579 /nfs/dbraw/zinc/27/25/79/1059272579.db2.gz DWGFCDLPDRVZHZ-WBVHZDCISA-N 1 0 307.441 4.330 20 30 DIEDRO C[C@@H](C#N)OCC[NH+](CC1CCCCC1)CC1CCCCC1 ZINC001559497235 1059278635 /nfs/dbraw/zinc/27/86/35/1059278635.db2.gz OQQPSPNHFOBKRI-KRWDZBQOSA-N 1 0 306.494 4.378 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCc2ccccc21 ZINC001559498898 1059281836 /nfs/dbraw/zinc/28/18/36/1059281836.db2.gz BZFDRZDNJRLLCC-QFIPXVFZSA-N 1 0 318.464 4.184 20 30 DIEDRO CCC[N@H+](CCOc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC001559503173 1059287380 /nfs/dbraw/zinc/28/73/80/1059287380.db2.gz XEQFFKXECNOLSZ-FQEVSTJZSA-N 1 0 320.436 4.337 20 30 DIEDRO CC#CC[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccccc1OC ZINC001559516922 1059311944 /nfs/dbraw/zinc/31/19/44/1059311944.db2.gz GFJFCONYEXREMR-SFHVURJKSA-N 1 0 307.437 4.152 20 30 DIEDRO C=CC[N@@H+](CCC1CC1)Cc1cc(Br)ccc1F ZINC001559517963 1059315222 /nfs/dbraw/zinc/31/52/22/1059315222.db2.gz FVSIXSUVRDPRCL-UHFFFAOYSA-N 1 0 312.226 4.376 20 30 DIEDRO C=C(Cl)C[N@@H+](CCc1ccc(OC)cc1)Cc1ccccc1 ZINC001559522489 1059321221 /nfs/dbraw/zinc/32/12/21/1059321221.db2.gz KFFWKGGSICNMEP-UHFFFAOYSA-N 1 0 315.844 4.492 20 30 DIEDRO C=CC[N@@H+](Cc1cccc2nsnc21)CC1CCCCC1 ZINC001559538245 1059338559 /nfs/dbraw/zinc/33/85/59/1059338559.db2.gz SXAHZEFSFOVSCK-UHFFFAOYSA-N 1 0 301.459 4.260 20 30 DIEDRO C=CC1CC[NH+](CCCc2ccccc2Br)CC1 ZINC001559542333 1059346321 /nfs/dbraw/zinc/34/63/21/1059346321.db2.gz RZJONMULUVFYBY-UHFFFAOYSA-N 1 0 308.263 4.280 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC001559570705 1059402725 /nfs/dbraw/zinc/40/27/25/1059402725.db2.gz ZVDAUXJTEHAFBJ-KBXCAEBGSA-N 1 0 324.424 4.442 20 30 DIEDRO CC(C)CCC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC001559602035 1059435384 /nfs/dbraw/zinc/43/53/84/1059435384.db2.gz YEBYACVVDWTQKF-UHFFFAOYSA-N 1 0 314.473 4.475 20 30 DIEDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)c1 ZINC001559648821 1059476092 /nfs/dbraw/zinc/47/60/92/1059476092.db2.gz QTUFKAQBLHMRQP-HXUWFJFHSA-N 1 0 320.436 4.391 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CC(C)(C)C1 ZINC001559675657 1059501532 /nfs/dbraw/zinc/50/15/32/1059501532.db2.gz ODJWHSZUYLSVCQ-GFCCVEGCSA-N 1 0 321.262 4.189 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC001559682465 1059509853 /nfs/dbraw/zinc/50/98/53/1059509853.db2.gz IJIGIRBTHRWTAH-IBGZPJMESA-N 1 0 300.446 4.276 20 30 DIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]CC1(CC#N)CC1 ZINC001559680523 1059511374 /nfs/dbraw/zinc/51/13/74/1059511374.db2.gz CHLALJQTFKIYDF-KRWDZBQOSA-N 1 0 300.446 4.456 20 30 DIEDRO CC#CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@H]1C ZINC001559687965 1059518041 /nfs/dbraw/zinc/51/80/41/1059518041.db2.gz CHQLQWMUKVCLDG-SJLPKXTDSA-N 1 0 315.457 4.108 20 30 DIEDRO C=CCCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001559700128 1059528773 /nfs/dbraw/zinc/52/87/73/1059528773.db2.gz MGNLZBOTXWFJRU-KRWDZBQOSA-N 1 0 310.445 4.007 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCCc3cccc(F)c3)CC2)cc1 ZINC001559714770 1059541771 /nfs/dbraw/zinc/54/17/71/1059541771.db2.gz HGZPNDQUPCIQBW-UHFFFAOYSA-N 1 0 320.411 4.419 20 30 DIEDRO C[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC001559717723 1059548128 /nfs/dbraw/zinc/54/81/28/1059548128.db2.gz WJFHPEUITKMJSE-OXJNMPFZSA-N 1 0 312.457 4.148 20 30 DIEDRO C[C@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC001559717725 1059548187 /nfs/dbraw/zinc/54/81/87/1059548187.db2.gz WJFHPEUITKMJSE-UZLBHIALSA-N 1 0 312.457 4.148 20 30 DIEDRO Cc1cccc([C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC001559743995 1059578995 /nfs/dbraw/zinc/57/89/95/1059578995.db2.gz YTRLKJFRACVRQU-IBGZPJMESA-N 1 0 309.840 4.489 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001532310993 1059585623 /nfs/dbraw/zinc/58/56/23/1059585623.db2.gz GTVYGLOEHCYLQW-IRXDYDNUSA-N 1 0 310.526 4.362 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCCOC(F)(F)F)c1ccc(F)c(F)c1 ZINC001559767044 1059603841 /nfs/dbraw/zinc/60/38/41/1059603841.db2.gz SEYZLFVMQPYIHS-CYBMUJFWSA-N 1 0 309.278 4.098 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCO1 ZINC001559769702 1059606822 /nfs/dbraw/zinc/60/68/22/1059606822.db2.gz RQPBREGIDYVGRI-NDXORKPFSA-N 1 0 321.420 4.310 20 30 DIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001559773182 1059609641 /nfs/dbraw/zinc/60/96/41/1059609641.db2.gz LDWLIUOQUWYXNU-IEBWSBKVSA-N 1 0 300.446 4.276 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1(CC)CC ZINC001559774599 1059611391 /nfs/dbraw/zinc/61/13/91/1059611391.db2.gz CUIRYBINDWBKIW-JCGIZDLHSA-N 1 0 300.446 4.193 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1(CC)CC ZINC001559774800 1059612783 /nfs/dbraw/zinc/61/27/83/1059612783.db2.gz FTKCVHUZCDPTQP-ROUUACIJSA-N 1 0 319.876 4.265 20 30 DIEDRO Cc1ccccc1[C@]1(F)CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC001559787669 1059622641 /nfs/dbraw/zinc/62/26/41/1059622641.db2.gz XQICIPUGFYHDIS-JXFKEZNVSA-N 1 0 308.400 4.498 20 30 DIEDRO C=CCCCC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001559795733 1059629453 /nfs/dbraw/zinc/62/94/53/1059629453.db2.gz MZPVMCPNTJXMLX-MRXNPFEDSA-N 1 0 310.482 4.016 20 30 DIEDRO C=CCCCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001559795732 1059629895 /nfs/dbraw/zinc/62/98/95/1059629895.db2.gz MZPVMCPNTJXMLX-INIZCTEOSA-N 1 0 310.482 4.016 20 30 DIEDRO C=CC[C@H]1[N@@H+](CCC(=O)Nc2ccccc2)CCCC1(C)C ZINC001559797219 1059631418 /nfs/dbraw/zinc/63/14/18/1059631418.db2.gz KMPAIZVFHMKLPO-QGZVFWFLSA-N 1 0 300.446 4.082 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC001559796128 1059631708 /nfs/dbraw/zinc/63/17/08/1059631708.db2.gz ZJHHQSPUIPUJFM-KRWDZBQOSA-N 1 0 317.539 4.026 20 30 DIEDRO C#C[C@H](C)[N@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001559797336 1059631836 /nfs/dbraw/zinc/63/18/36/1059631836.db2.gz NKNCYYQPRBEKNF-LBPRGKRZSA-N 1 0 302.215 4.056 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC001559796983 1059633782 /nfs/dbraw/zinc/63/37/82/1059633782.db2.gz CODPXQCKAPAPAH-KRWDZBQOSA-N 1 0 318.417 4.170 20 30 DIEDRO C[C@H](C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC001559806575 1059643583 /nfs/dbraw/zinc/64/35/83/1059643583.db2.gz ABFDBUREZOPRPM-INIZCTEOSA-N 1 0 314.473 4.474 20 30 DIEDRO C[C@@H](C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC001559806576 1059644411 /nfs/dbraw/zinc/64/44/11/1059644411.db2.gz ABFDBUREZOPRPM-MRXNPFEDSA-N 1 0 314.473 4.474 20 30 DIEDRO C=C(C)C[N@@H+](CCc1cccc(F)c1)Cc1cnn(C(C)C)c1 ZINC001559829074 1059660803 /nfs/dbraw/zinc/66/08/03/1059660803.db2.gz KMVOMOVZVPPVCS-UHFFFAOYSA-N 1 0 315.436 4.224 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]CCOc1ccc(Oc2ccccc2)cc1 ZINC001559851153 1059677757 /nfs/dbraw/zinc/67/77/57/1059677757.db2.gz BLSCTMIOWYQZPL-FQEVSTJZSA-N 1 0 309.409 4.249 20 30 DIEDRO C=C(C)CC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001559860370 1059679828 /nfs/dbraw/zinc/67/98/28/1059679828.db2.gz ZOGPSIQTKOZZSG-XJKSGUPXSA-N 1 0 313.363 4.433 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](Cc3ccc(C)c(C#N)c3)C2)cc1 ZINC001559870923 1059689325 /nfs/dbraw/zinc/68/93/25/1059689325.db2.gz KUCRUYBKIBXRNB-FQEVSTJZSA-N 1 0 304.437 4.419 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC001559879779 1059699250 /nfs/dbraw/zinc/69/92/50/1059699250.db2.gz QOPWOMYVFPOKCY-RHSMWYFYSA-N 1 0 300.446 4.213 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccn1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911569 1059729211 /nfs/dbraw/zinc/72/92/11/1059729211.db2.gz MOOSGWYLLNUEMA-UXHICEINSA-N 1 0 305.425 4.111 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)[C@H]1CC1(C)C ZINC001559921934 1059735109 /nfs/dbraw/zinc/73/51/09/1059735109.db2.gz VKNBXNTYWKJGNW-ZIAGYGMSSA-N 1 0 308.372 4.074 20 30 DIEDRO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001559934532 1059747974 /nfs/dbraw/zinc/74/79/74/1059747974.db2.gz NIDSKDCFWQRXHN-HXUWFJFHSA-N 1 0 308.400 4.295 20 30 DIEDRO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001559934531 1059749574 /nfs/dbraw/zinc/74/95/74/1059749574.db2.gz NIDSKDCFWQRXHN-FQEVSTJZSA-N 1 0 308.400 4.295 20 30 DIEDRO C=CCCCC[N@H+]1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001559962496 1059770029 /nfs/dbraw/zinc/77/00/29/1059770029.db2.gz QLEYVEVWEYBSIF-OTWHNJEPSA-N 1 0 300.490 4.326 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)cc1 ZINC001559965802 1059771343 /nfs/dbraw/zinc/77/13/43/1059771343.db2.gz LGGSQESDAFZYRS-OAQYLSRUSA-N 1 0 314.432 4.494 20 30 DIEDRO CCCCCCCc1ccc(-c2noc([C@H]3CC[C@H]3[NH3+])n2)cc1 ZINC001248324861 1059783336 /nfs/dbraw/zinc/78/33/36/1059783336.db2.gz XRXIIBQAULGULB-DLBZAZTESA-N 1 0 313.445 4.454 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cscc2Br)C1 ZINC001559982978 1059787903 /nfs/dbraw/zinc/78/79/03/1059787903.db2.gz CDDIIMOUFBSJGZ-NSHDSACASA-N 1 0 300.265 4.299 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001559983059 1059789312 /nfs/dbraw/zinc/78/93/12/1059789312.db2.gz FPXCQRXIJFNHTN-IAGOWNOFSA-N 1 0 322.452 4.455 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC/C=C\c1cncc(OC)c1 ZINC001559994294 1059801577 /nfs/dbraw/zinc/80/15/77/1059801577.db2.gz ZIEGEWSGDCBMPA-NQPDJEJGSA-N 1 0 300.446 4.218 20 30 DIEDRO COc1cccc([C@]2(C)CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC001560000984 1059805067 /nfs/dbraw/zinc/80/50/67/1059805067.db2.gz SAYUMJHWUJCUGS-HRAATJIYSA-N 1 0 320.436 4.291 20 30 DIEDRO C=CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001560006058 1059813083 /nfs/dbraw/zinc/81/30/83/1059813083.db2.gz SSLKKQXWXDOCDL-UHFFFAOYSA-N 1 0 315.244 4.218 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@H+](CCC1CC1)CC1CC1 ZINC001560021930 1059833398 /nfs/dbraw/zinc/83/33/98/1059833398.db2.gz ZHBHJTGNVOWGAT-UHFFFAOYSA-N 1 0 318.848 4.254 20 30 DIEDRO CC[N@H+](CCOc1ccccc1OC)[C@H](C)c1cccc(C#N)c1 ZINC001560031298 1059847388 /nfs/dbraw/zinc/84/73/88/1059847388.db2.gz UVVJCSAJWXAUSR-MRXNPFEDSA-N 1 0 324.424 4.029 20 30 DIEDRO C#CCCCCCC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC001560042511 1059857072 /nfs/dbraw/zinc/85/70/72/1059857072.db2.gz QIFYOUHMCSWJEP-QGZVFWFLSA-N 1 0 303.421 4.207 20 30 DIEDRO CCCCCCCC[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001560041161 1059859076 /nfs/dbraw/zinc/85/90/76/1059859076.db2.gz IUFRAAFWPZGMSS-OAHLLOKOSA-N 1 0 300.487 4.192 20 30 DIEDRO N#CC1(CC[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CCCCC1 ZINC001560054595 1059867280 /nfs/dbraw/zinc/86/72/80/1059867280.db2.gz DPXIJEBBYNWMER-RTBURBONSA-N 1 0 312.457 4.049 20 30 DIEDRO N#CC1(CC[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CCCCC1 ZINC001560054593 1059867582 /nfs/dbraw/zinc/86/75/82/1059867582.db2.gz DPXIJEBBYNWMER-OALUTQOASA-N 1 0 312.457 4.049 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001560053073 1059868209 /nfs/dbraw/zinc/86/82/09/1059868209.db2.gz AWUYWMHLANOYGU-HZPDHXFCSA-N 1 0 312.498 4.334 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001560053070 1059868866 /nfs/dbraw/zinc/86/88/66/1059868866.db2.gz AWUYWMHLANOYGU-CVEARBPZSA-N 1 0 312.498 4.334 20 30 DIEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC001560079913 1059892747 /nfs/dbraw/zinc/89/27/47/1059892747.db2.gz LXQDGWDNSNRFSW-IBGZPJMESA-N 1 0 317.860 4.115 20 30 DIEDRO CC(C)Oc1cccc(C[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC001560084731 1059900820 /nfs/dbraw/zinc/90/08/20/1059900820.db2.gz ZGQCMDHINIVGME-UHFFFAOYSA-N 1 0 308.425 4.020 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001560138740 1059938577 /nfs/dbraw/zinc/93/85/77/1059938577.db2.gz PTCYLVUJVXNWSG-OAHLLOKOSA-N 1 0 312.498 4.192 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001560143344 1059946258 /nfs/dbraw/zinc/94/62/58/1059946258.db2.gz YFWJZKBHNQIKMZ-MRXNPFEDSA-N 1 0 312.498 4.336 20 30 DIEDRO C#CC[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)C(C)C ZINC001560164397 1059955374 /nfs/dbraw/zinc/95/53/74/1059955374.db2.gz VLLJFDXYEZTYOX-UHFFFAOYSA-N 1 0 313.363 4.208 20 30 DIEDRO C#CC[N@@H+](CC/C=C/c1ccc(Br)cc1)C(C)C ZINC001560164602 1059955518 /nfs/dbraw/zinc/95/55/18/1059955518.db2.gz FAIFOVFGHPZOKL-FNORWQNLSA-N 1 0 306.247 4.196 20 30 DIEDRO C#CCC1([NH2+][C@@H]2CCCc3ccc(Br)cc32)CCC1 ZINC001560165716 1059961126 /nfs/dbraw/zinc/96/11/26/1059961126.db2.gz TYJOBJJJTZTMGB-MRXNPFEDSA-N 1 0 318.258 4.362 20 30 DIEDRO C#CCC1([NH2+]CCOc2ccc(F)c(Cl)c2)CCCCC1 ZINC001560171439 1059961704 /nfs/dbraw/zinc/96/17/04/1059961704.db2.gz VFJHBXQBQYDEIB-UHFFFAOYSA-N 1 0 309.812 4.174 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001248750992 1059964468 /nfs/dbraw/zinc/96/44/68/1059964468.db2.gz FNTGQXYDNVPLID-NRFANRHFSA-N 1 0 320.436 4.164 20 30 DIEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001248748743 1059964797 /nfs/dbraw/zinc/96/47/97/1059964797.db2.gz VJCHQFMDSZONCP-UHFFFAOYSA-N 1 0 320.436 4.164 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001248751309 1059965195 /nfs/dbraw/zinc/96/51/95/1059965195.db2.gz RWMXYNAJFRESNU-FQEVSTJZSA-N 1 0 305.425 4.243 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001248752295 1059966600 /nfs/dbraw/zinc/96/66/00/1059966600.db2.gz GJDPUOGQYVOQRB-UHFFFAOYSA-N 1 0 321.468 4.209 20 30 DIEDRO C[N@H+](CCOc1cccc2ccccc21)Cc1cc(C#N)cs1 ZINC001560180529 1059967325 /nfs/dbraw/zinc/96/73/25/1059967325.db2.gz CGBHICHQJLSXJH-UHFFFAOYSA-N 1 0 322.433 4.284 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001248752642 1059968048 /nfs/dbraw/zinc/96/80/48/1059968048.db2.gz UVKSRFSANFUUKF-FQEVSTJZSA-N 1 0 320.436 4.119 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001560186114 1059972394 /nfs/dbraw/zinc/97/23/94/1059972394.db2.gz ITXFIILRCILUOW-CYBMUJFWSA-N 1 0 315.383 4.255 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC001560205883 1059984979 /nfs/dbraw/zinc/98/49/79/1059984979.db2.gz JQMULZREGSTFCG-SOLBZPMBSA-N 1 0 322.452 4.056 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccccc2)N(CC)CC)C1 ZINC001560248732 1060012529 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CC[C@@H](C[NH2+]Cc1c(C)cc(C#N)cc1C)Oc1cccc(C)c1 ZINC001560272240 1060046022 /nfs/dbraw/zinc/04/60/22/1060046022.db2.gz ABHJIIDFQAMHNK-IBGZPJMESA-N 1 0 322.452 4.431 20 30 DIEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001560301177 1060085259 /nfs/dbraw/zinc/08/52/59/1060085259.db2.gz LFYXRMMNMHORNK-OLMNPRSZSA-N 1 0 302.437 4.495 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](CC)c2ccccc2)cc1 ZINC001560302781 1060089864 /nfs/dbraw/zinc/08/98/64/1060089864.db2.gz LGJHOOPCEILXKA-IBGZPJMESA-N 1 0 307.437 4.372 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)C1 ZINC001560304698 1060091414 /nfs/dbraw/zinc/09/14/14/1060091414.db2.gz XMBNWVRRTSQGET-HUUCEWRRSA-N 1 0 320.864 4.311 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC001560313526 1060099673 /nfs/dbraw/zinc/09/96/73/1060099673.db2.gz DUJAUXIVBUCMME-UHFFFAOYSA-N 1 0 312.432 4.109 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccccc1Br)c1ccncc1 ZINC001560339086 1060125804 /nfs/dbraw/zinc/12/58/04/1060125804.db2.gz ZHQKRGABNVXYRL-MRXNPFEDSA-N 1 0 317.230 4.251 20 30 DIEDRO CCCCCC(C)(C)C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC001560372828 1060158454 /nfs/dbraw/zinc/15/84/54/1060158454.db2.gz ADPWIROWYCUPKE-UHFFFAOYSA-N 1 0 301.478 4.320 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001560394856 1060180212 /nfs/dbraw/zinc/18/02/12/1060180212.db2.gz RCZHPGGOUWLHMQ-ZDUSSCGKSA-N 1 0 303.352 4.208 20 30 DIEDRO COc1cc(C[NH2+]CC(C)(C)C2CCCCC2)ccc1C#N ZINC001560401620 1060187812 /nfs/dbraw/zinc/18/78/12/1060187812.db2.gz FCKJNHVKXVZTCQ-UHFFFAOYSA-N 1 0 300.446 4.263 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC2(Cc3ccccc3)CC2)c1 ZINC001560404841 1060190083 /nfs/dbraw/zinc/19/00/83/1060190083.db2.gz LHZBTVOGLRFTBK-UHFFFAOYSA-N 1 0 307.437 4.364 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@]2(C)CCCc3ccccc32)ccc1C#N ZINC001560427042 1060212116 /nfs/dbraw/zinc/21/21/16/1060212116.db2.gz LUXQKNKNDRZBIV-OAQYLSRUSA-N 1 0 304.437 4.251 20 30 DIEDRO C=CCSCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC001560435351 1060223012 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N#Cc1ccc2cc(C[N@@H+]3CCC[C@H]3c3ccccc3)[nH]c2c1 ZINC001249429039 1060247260 /nfs/dbraw/zinc/24/72/60/1060247260.db2.gz KTXFHHSXFPLQTP-FQEVSTJZSA-N 1 0 301.393 4.377 20 30 DIEDRO C[N@H+](C/C=C/c1ccccc1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429617 1060247818 /nfs/dbraw/zinc/24/78/18/1060247818.db2.gz JLCIJRVTZXHJFJ-VMPITWQZSA-N 1 0 301.393 4.185 20 30 DIEDRO N#Cc1ccc2cc(C[NH+]3CCC(c4cccs4)CC3)[nH]c2c1 ZINC001249429160 1060249832 /nfs/dbraw/zinc/24/98/32/1060249832.db2.gz QBLSQASFTBELQI-UHFFFAOYSA-N 1 0 321.449 4.481 20 30 DIEDRO CCCC1CCC(C[NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC001560464347 1060254939 /nfs/dbraw/zinc/25/49/39/1060254939.db2.gz ZZAYMYSMDUQMFL-UHFFFAOYSA-N 1 0 300.446 4.263 20 30 DIEDRO CSc1cccc(F)c1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001560469402 1060259471 /nfs/dbraw/zinc/25/94/71/1060259471.db2.gz CYEOFKVIJKVTSH-UHFFFAOYSA-N 1 0 314.429 4.326 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc3c(c2)OCCCCO3)CCCC1 ZINC001560471177 1060260496 /nfs/dbraw/zinc/26/04/96/1060260496.db2.gz JNBSWEGMLVOUMY-UHFFFAOYSA-N 1 0 315.457 4.464 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001249503825 1060265836 /nfs/dbraw/zinc/26/58/36/1060265836.db2.gz JGBUWSBQMRKQFZ-MRXNPFEDSA-N 1 0 307.393 4.030 20 30 DIEDRO C=C(C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001560480308 1060273569 /nfs/dbraw/zinc/27/35/69/1060273569.db2.gz WDVMKSMRCXNRBC-UHFFFAOYSA-N 1 0 302.399 4.379 20 30 DIEDRO C=CC[N@H+](Cc1nc2ccc(Br)cc2o1)C(C)(C)C ZINC001249541251 1060279262 /nfs/dbraw/zinc/27/92/62/1060279262.db2.gz SZOSLNOVKVBJHZ-UHFFFAOYSA-N 1 0 323.234 4.377 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)cc1 ZINC001560487125 1060280732 /nfs/dbraw/zinc/28/07/32/1060280732.db2.gz FCCQFXJDWGRIBW-QGZVFWFLSA-N 1 0 321.411 4.394 20 30 DIEDRO C=CC[N@H+](Cc1nc2cc(Br)ccc2o1)C(C)(C)C ZINC001249537259 1060281067 /nfs/dbraw/zinc/28/10/67/1060281067.db2.gz GDLKPIXBISEUSS-UHFFFAOYSA-N 1 0 323.234 4.377 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC001560489619 1060283409 /nfs/dbraw/zinc/28/34/09/1060283409.db2.gz UWRUKJUQZZADME-RISCZKNCSA-N 1 0 312.226 4.423 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC001560503346 1060299473 /nfs/dbraw/zinc/29/94/73/1060299473.db2.gz KEFMWRGGSIMXIJ-UHFFFAOYSA-N 1 0 307.290 4.116 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC001560503330 1060299712 /nfs/dbraw/zinc/29/97/12/1060299712.db2.gz JTAFWSYLBLIXHW-UHFFFAOYSA-N 1 0 321.754 4.213 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(C)c(C3OCCO3)cc2C)CCCC1 ZINC001560533238 1060333832 /nfs/dbraw/zinc/33/38/32/1060333832.db2.gz KQJKFFLLOZEPDF-UHFFFAOYSA-N 1 0 315.457 4.327 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(N3CCCC3)nc2)CCCC1 ZINC001560532179 1060333883 /nfs/dbraw/zinc/33/38/83/1060333883.db2.gz VLKHINVKXZNIOD-UHFFFAOYSA-N 1 0 313.489 4.298 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC001560532156 1060335489 /nfs/dbraw/zinc/33/54/89/1060335489.db2.gz VAGHMFHWDQYLAB-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC(C)C)c(OC)c2)CCCC1 ZINC001560533286 1060338950 /nfs/dbraw/zinc/33/89/50/1060338950.db2.gz MKDQUWVRNOXDSL-UHFFFAOYSA-N 1 0 303.446 4.461 20 30 DIEDRO C=CCOCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001560543374 1060352170 /nfs/dbraw/zinc/35/21/70/1060352170.db2.gz RCIMZCQEHUKTLO-UHFFFAOYSA-N 1 0 307.846 4.361 20 30 DIEDRO Cc1cccc(C[N@H+](Cc2cccc(C#N)c2F)C2CC2)c1C ZINC001249693942 1060353452 /nfs/dbraw/zinc/35/34/52/1060353452.db2.gz RMRPPBPYYBYSBE-UHFFFAOYSA-N 1 0 308.400 4.479 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC001560549537 1060357766 /nfs/dbraw/zinc/35/77/66/1060357766.db2.gz IMOYFPDDFBMRSH-MRXNPFEDSA-N 1 0 307.393 4.104 20 30 DIEDRO CC(C)C(C[NH2+]C1CCN(c2ccccc2C#N)CC1)C(C)C ZINC001560551556 1060359613 /nfs/dbraw/zinc/35/96/13/1060359613.db2.gz UDMZBDXXVZMDNK-UHFFFAOYSA-N 1 0 313.489 4.045 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc2cccnc2c1 ZINC001560556841 1060366393 /nfs/dbraw/zinc/36/63/93/1060366393.db2.gz SPIYUYGMPIKTQJ-UHFFFAOYSA-N 1 0 301.393 4.013 20 30 DIEDRO CC(C)[C@@](C)(Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC001560558671 1060369408 /nfs/dbraw/zinc/36/94/08/1060369408.db2.gz GJSDKQVRRZXZGX-HXUWFJFHSA-N 1 0 310.416 4.444 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC001560566249 1060375916 /nfs/dbraw/zinc/37/59/16/1060375916.db2.gz JHHALDLWBCWIOW-FNEOHHHZSA-N 1 0 316.448 4.254 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC001560566252 1060375978 /nfs/dbraw/zinc/37/59/78/1060375978.db2.gz JHHALDLWBCWIOW-OLEQZPESSA-N 1 0 316.448 4.254 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001560578667 1060392129 /nfs/dbraw/zinc/39/21/29/1060392129.db2.gz BWKWMVRIYZEUHL-UHFFFAOYSA-N 1 0 324.509 4.216 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ncc(Br)cc1F ZINC001560579121 1060393333 /nfs/dbraw/zinc/39/33/33/1060393333.db2.gz YNLSOICOTBRFIW-UHFFFAOYSA-N 1 0 315.230 4.065 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc(C)cc2F)cc1C#N ZINC001560589680 1060402970 /nfs/dbraw/zinc/40/29/70/1060402970.db2.gz XIHNFXKFWKLJLT-UHFFFAOYSA-N 1 0 300.402 4.018 20 30 DIEDRO CC[NH+](CC)CC[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC001560620611 1060432923 /nfs/dbraw/zinc/43/29/23/1060432923.db2.gz DOUXAYVXGJYFDM-OAQYLSRUSA-N 1 0 321.468 4.121 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)ccc1C#N ZINC001560631894 1060445663 /nfs/dbraw/zinc/44/56/63/1060445663.db2.gz LGBWUSYPAWAXDE-OXQOHEQNSA-N 1 0 320.436 4.192 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)c1ccccc1Br ZINC001560671478 1060502388 /nfs/dbraw/zinc/50/23/88/1060502388.db2.gz GFRHPIKWEUTYQW-CHWSQXEVSA-N 1 0 309.251 4.382 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(OC(F)(F)F)c(OC)c1 ZINC001249992512 1060525297 /nfs/dbraw/zinc/52/52/97/1060525297.db2.gz AMTHDDAXOFJEOZ-UHFFFAOYSA-N 1 0 317.351 4.382 20 30 DIEDRO C#CC[N@@H+](Cc1cc(F)cc(OCC)c1)[C@@H]1CCc2ccccc21 ZINC001560701430 1060559144 /nfs/dbraw/zinc/55/91/44/1060559144.db2.gz MUNGHJYEYGPEIW-OAQYLSRUSA-N 1 0 323.411 4.347 20 30 DIEDRO CN(Cc1ccccc1)c1ccc(Cc2cccc(C#N)c2)cn1 ZINC001250048604 1060566165 /nfs/dbraw/zinc/56/61/65/1060566165.db2.gz FBIYTDDZDUENFA-UHFFFAOYSA-N 1 0 313.404 4.180 20 30 DIEDRO N#Cc1ccc(CC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001250054581 1060570673 /nfs/dbraw/zinc/57/06/73/1060570673.db2.gz OLZLBIBXZTYGMB-YADHBBJMSA-N 1 0 314.432 4.464 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)n1 ZINC001560768909 1060634673 /nfs/dbraw/zinc/63/46/73/1060634673.db2.gz MOFZIQGGXLETLB-NJYVYQBISA-N 1 0 317.436 4.111 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC001560791292 1060652485 /nfs/dbraw/zinc/65/24/85/1060652485.db2.gz FWRQUPHGGDUSBW-BXUZGUMPSA-N 1 0 314.242 4.464 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)ccc1C#N ZINC001560812856 1060670536 /nfs/dbraw/zinc/67/05/36/1060670536.db2.gz GPQDDNKWFTYEJG-CTNGQTDRSA-N 1 0 320.436 4.167 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC001560814241 1060670815 /nfs/dbraw/zinc/67/08/15/1060670815.db2.gz SGFCEJKYCDHGQT-ZWKOTPCHSA-N 1 0 303.446 4.404 20 30 DIEDRO C#CCCCCCC[N@H+](Cc1ccccc1)C1CCN(C)CC1 ZINC001560814431 1060673503 /nfs/dbraw/zinc/67/35/03/1060673503.db2.gz YCEMAQWEBKJMCV-UHFFFAOYSA-N 1 0 312.501 4.167 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OCC2CC2)cc1 ZINC001560822791 1060682341 /nfs/dbraw/zinc/68/23/41/1060682341.db2.gz ZJYJRBSNAVFOOP-UHFFFAOYSA-N 1 0 305.421 4.111 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CC(c3cccc(OC)c3)C2)cc1 ZINC001560826843 1060687178 /nfs/dbraw/zinc/68/71/78/1060687178.db2.gz YPHVUYUZQRECMO-UHFFFAOYSA-N 1 0 323.436 4.296 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001560827336 1060687546 /nfs/dbraw/zinc/68/75/46/1060687546.db2.gz MCFHOBIBZAVNRF-ZWKOTPCHSA-N 1 0 323.525 4.005 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001560837625 1060695028 /nfs/dbraw/zinc/69/50/28/1060695028.db2.gz XGYJQDCCGYOCMK-ZBFHGGJFSA-N 1 0 302.418 4.108 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001560837624 1060695660 /nfs/dbraw/zinc/69/56/60/1060695660.db2.gz XGYJQDCCGYOCMK-HOCLYGCPSA-N 1 0 302.418 4.108 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC001560852524 1060711109 /nfs/dbraw/zinc/71/11/09/1060711109.db2.gz IOVBCADOECERQE-INIZCTEOSA-N 1 0 305.462 4.217 20 30 DIEDRO C=CCCCC[C@@H](C)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC001560851584 1060711554 /nfs/dbraw/zinc/71/15/54/1060711554.db2.gz YCCSLLICGOMPSK-QGZVFWFLSA-N 1 0 316.493 4.473 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC001560856257 1060713906 /nfs/dbraw/zinc/71/39/06/1060713906.db2.gz LNSTZJPZGCCIQF-LLVKDONJSA-N 1 0 315.244 4.290 20 30 DIEDRO C#Cc1ccc(C[N@@H+](Cc2ccc(OC)cc2)C(C)(C)C)cc1 ZINC001560869007 1060730664 /nfs/dbraw/zinc/73/06/64/1060730664.db2.gz VCMQDTNDDWAYER-UHFFFAOYSA-N 1 0 307.437 4.477 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC001560883367 1060747011 /nfs/dbraw/zinc/74/70/11/1060747011.db2.gz SBXUNZNDTSVAFV-RTBURBONSA-N 1 0 307.437 4.330 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001560888572 1060750572 /nfs/dbraw/zinc/75/05/72/1060750572.db2.gz BBGJYCCFIUARAY-YESZJQIVSA-N 1 0 324.509 4.404 20 30 DIEDRO N#Cc1ccccc1-c1ccc(Cc2ccc3c[nH+]cn3c2)cc1 ZINC001250279572 1060750985 /nfs/dbraw/zinc/75/09/85/1060750985.db2.gz PIFPSMQSBPNBCI-UHFFFAOYSA-N 1 0 309.372 4.464 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001560888568 1060751456 /nfs/dbraw/zinc/75/14/56/1060751456.db2.gz BBGJYCCFIUARAY-BBWFWOEESA-N 1 0 324.509 4.404 20 30 DIEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC001560893404 1060756878 /nfs/dbraw/zinc/75/68/78/1060756878.db2.gz NBEXAFXEEBPJBA-OAQYLSRUSA-N 1 0 307.412 4.274 20 30 DIEDRO C#CC1CC[NH+](C/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC001560901595 1060764313 /nfs/dbraw/zinc/76/43/13/1060764313.db2.gz XHUVAKHFCDEXQA-OWBHPGMISA-N 1 0 307.359 4.454 20 30 DIEDRO N#CCc1ccc(C[NH2+]C2CC(c3ccc(F)cc3F)C2)cc1 ZINC001560905272 1060768274 /nfs/dbraw/zinc/76/82/74/1060768274.db2.gz WXADRHFTKWOIIP-UHFFFAOYSA-N 1 0 312.363 4.067 20 30 DIEDRO N#Cc1cc(Cl)c(Cl)cc1Nc1ccc2c[nH+]cn2c1 ZINC001250335686 1060787714 /nfs/dbraw/zinc/78/77/14/1060787714.db2.gz NUQRRTCQJAJHAK-UHFFFAOYSA-N 1 0 303.152 4.256 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001560927084 1060791403 /nfs/dbraw/zinc/79/14/03/1060791403.db2.gz GTACHJXNKHLMPW-KBAYOESNSA-N 1 0 315.457 4.461 20 30 DIEDRO C=CCCC1(C[NH2+]C[C@@H]2C[C@]2(C)Br)CCCC1 ZINC001560928767 1060792052 /nfs/dbraw/zinc/79/20/52/1060792052.db2.gz BPTGZJMPKOTKOA-KBPBESRZSA-N 1 0 300.284 4.276 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC001560936353 1060798981 /nfs/dbraw/zinc/79/89/81/1060798981.db2.gz XFWZFFGCPDBJIC-YTQUADARSA-N 1 0 303.494 4.246 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1 ZINC001560945268 1060811773 /nfs/dbraw/zinc/81/17/73/1060811773.db2.gz VJSHYXSZDNBYGI-MRXNPFEDSA-N 1 0 305.462 4.217 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001560957605 1060821339 /nfs/dbraw/zinc/82/13/39/1060821339.db2.gz BHXDRKSVVGOBDR-QGZVFWFLSA-N 1 0 311.473 4.252 20 30 DIEDRO CC1(C)CCCC[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001560958131 1060825370 /nfs/dbraw/zinc/82/53/70/1060825370.db2.gz NFZMHXCQXJVQOG-IBGZPJMESA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC001560962816 1060826736 /nfs/dbraw/zinc/82/67/36/1060826736.db2.gz GMHOEHCATVTHHY-HNNXBMFYSA-N 1 0 305.462 4.217 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC001560962817 1060826747 /nfs/dbraw/zinc/82/67/47/1060826747.db2.gz GMHOEHCATVTHHY-OAHLLOKOSA-N 1 0 305.462 4.217 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001560970590 1060835195 /nfs/dbraw/zinc/83/51/95/1060835195.db2.gz BGIPUJBSPCCIOC-YESZJQIVSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)c2cccc(OC)c2OC)C1 ZINC001560975675 1060841127 /nfs/dbraw/zinc/84/11/27/1060841127.db2.gz HYDYYUGNDWGHOE-VYDXJSESSA-N 1 0 303.446 4.489 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1ccccc1 ZINC001560986928 1060852372 /nfs/dbraw/zinc/85/23/72/1060852372.db2.gz NEPLZGVAJURBGY-KSZLIROESA-N 1 0 301.430 4.015 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001560990790 1060854322 /nfs/dbraw/zinc/85/43/22/1060854322.db2.gz TWHUSRRPEZSWDF-RDJZCZTQSA-N 1 0 320.864 4.170 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001560990789 1060854576 /nfs/dbraw/zinc/85/45/76/1060854576.db2.gz TWHUSRRPEZSWDF-NVXWUHKLSA-N 1 0 320.864 4.170 20 30 DIEDRO C[C@H]([NH2+]C1CC(c2ccc(F)cc2F)C1)c1cccc(C#N)c1 ZINC001561006447 1060866522 /nfs/dbraw/zinc/86/65/22/1060866522.db2.gz RSFKLGZHAYZOHC-VWDMACCTSA-N 1 0 312.363 4.433 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1cc(-c2cccc(OC)c2)no1 ZINC001561022173 1060879570 /nfs/dbraw/zinc/87/95/70/1060879570.db2.gz IFFVHFBCUJZYSW-UHFFFAOYSA-N 1 0 312.413 4.024 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc2ccccc2c1O ZINC001561026158 1060883203 /nfs/dbraw/zinc/88/32/03/1060883203.db2.gz VJYYZLSNISABRB-UHFFFAOYSA-N 1 0 308.406 4.111 20 30 DIEDRO N#CC1(c2ccc(C[N@H+]3CC[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC001561034766 1060889409 /nfs/dbraw/zinc/88/94/09/1060889409.db2.gz BQGWRVMLPUULBE-LJQANCHMSA-N 1 0 306.384 4.328 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccn2)C1 ZINC001561035859 1060889590 /nfs/dbraw/zinc/88/95/90/1060889590.db2.gz LCIHGSMMPXNQOE-GGPKGHCWSA-N 1 0 305.425 4.037 20 30 DIEDRO C=CCCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC001462177124 1060996981 /nfs/dbraw/zinc/99/69/81/1060996981.db2.gz IGPZGWLSDPRPTH-LLVKDONJSA-N 1 0 300.215 4.075 20 30 DIEDRO Cc1ccc(C(C)(C)C[N@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC001473190040 1060945298 /nfs/dbraw/zinc/94/52/98/1060945298.db2.gz JQDUETKMHGROEQ-UHFFFAOYSA-N 1 0 310.416 4.415 20 30 DIEDRO N#Cc1ccc(F)c(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001250633050 1060965677 /nfs/dbraw/zinc/96/56/77/1060965677.db2.gz WPXBQQNPBHJKNL-UHFFFAOYSA-N 1 0 324.399 4.229 20 30 DIEDRO CCc1ccc(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC001473202429 1060966183 /nfs/dbraw/zinc/96/61/83/1060966183.db2.gz MKLSAWQRJAJPIR-KRWDZBQOSA-N 1 0 319.452 4.004 20 30 DIEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001473216314 1060991894 /nfs/dbraw/zinc/99/18/94/1060991894.db2.gz RTWZOEWDBZAMKS-UTKZUKDTSA-N 1 0 304.437 4.054 20 30 DIEDRO CCCC1CCC([N@H+](C)Cc2ccc(C#N)c(OC)c2)CC1 ZINC001462174852 1060994636 /nfs/dbraw/zinc/99/46/36/1060994636.db2.gz BVMMIAXLTFRNTG-UHFFFAOYSA-N 1 0 300.446 4.358 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)ccc1C#N ZINC001462181039 1061003415 /nfs/dbraw/zinc/00/34/15/1061003415.db2.gz DTDSBBQBIKDTBP-OXJNMPFZSA-N 1 0 320.436 4.253 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC001473230430 1061009082 /nfs/dbraw/zinc/00/90/82/1061009082.db2.gz GXWLZDCSXLRBKP-ZDUSSCGKSA-N 1 0 300.215 4.411 20 30 DIEDRO CCc1ccc([C@@H]([NH2+]C[C@@H](O)c2cccc(C#N)c2)C(C)C)cc1 ZINC001473256607 1061031338 /nfs/dbraw/zinc/03/13/38/1061031338.db2.gz PSJGRPYJXGEQKR-RTWAWAEBSA-N 1 0 322.452 4.141 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)cc1O ZINC001462243131 1061050613 /nfs/dbraw/zinc/05/06/13/1061050613.db2.gz ZORRRVUDJWECGM-UHFFFAOYSA-N 1 0 313.445 4.056 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001462253079 1061054974 /nfs/dbraw/zinc/05/49/74/1061054974.db2.gz JYXUCKOZXBHPPI-DDBAPUKQSA-N 1 0 305.849 4.299 20 30 DIEDRO C#C[C@@H]([NH2+][C@H]1CCCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC001462275229 1061069376 /nfs/dbraw/zinc/06/93/76/1061069376.db2.gz HBLKGJQMWPYNIO-AZUAARDMSA-N 1 0 323.411 4.046 20 30 DIEDRO C=CCCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001473306778 1061070637 /nfs/dbraw/zinc/07/06/37/1061070637.db2.gz XSACSVFITFLSKR-GOSISDBHSA-N 1 0 322.443 4.436 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](OCC)C12CCCCC2)c1ccc(F)cc1 ZINC001462282411 1061076762 /nfs/dbraw/zinc/07/67/62/1061076762.db2.gz XHACNZWHBLCVRA-OTWHNJEPSA-N 1 0 315.432 4.218 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](Cc3ccc(C#N)c(C)c3)C2)cc1 ZINC001462282037 1061077373 /nfs/dbraw/zinc/07/73/73/1061077373.db2.gz ITSQMMMAXWXFJY-NRFANRHFSA-N 1 0 304.437 4.419 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1cccs1 ZINC001473320829 1061084963 /nfs/dbraw/zinc/08/49/63/1061084963.db2.gz DUDJFHFQGDNAIV-NVXWUHKLSA-N 1 0 320.502 4.260 20 30 DIEDRO CC(C)([NH2+]CCOc1ccccc1C#N)c1cccc(Cl)c1 ZINC001473321626 1061085820 /nfs/dbraw/zinc/08/58/20/1061085820.db2.gz LWWFROBFRFPIFG-UHFFFAOYSA-N 1 0 314.816 4.115 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cc(Cl)c(OC)cc1Cl)C(C)(C)C ZINC001462297967 1061088454 /nfs/dbraw/zinc/08/84/54/1061088454.db2.gz PQOJVICWQVOUAR-AWEZNQCLSA-N 1 0 300.229 4.140 20 30 DIEDRO C=CCC[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccccc1 ZINC001473328449 1061090365 /nfs/dbraw/zinc/09/03/65/1061090365.db2.gz YAHLVGJWWVSKQZ-NRFANRHFSA-N 1 0 308.469 4.416 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1C[C@H](OC)C1(CC)CC)c1ccc(Cl)cc1 ZINC001462303789 1061091002 /nfs/dbraw/zinc/09/10/02/1061091002.db2.gz INANBQFDKCBLGU-ULQDDVLXSA-N 1 0 305.849 4.198 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1C[C@@H](OC)C1(CC)CC)c1ccc(Cl)cc1 ZINC001462303793 1061091772 /nfs/dbraw/zinc/09/17/72/1061091772.db2.gz INANBQFDKCBLGU-YESZJQIVSA-N 1 0 305.849 4.198 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](OC)C1(CC)CC)c1ccc(Cl)cc1 ZINC001462303781 1061092043 /nfs/dbraw/zinc/09/20/43/1061092043.db2.gz INANBQFDKCBLGU-BBWFWOEESA-N 1 0 305.849 4.198 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cnc2ccc(C)cc2c1)c1ccccc1 ZINC001473332190 1061092287 /nfs/dbraw/zinc/09/22/87/1061092287.db2.gz USAJAHKRZSHKQV-FQEVSTJZSA-N 1 0 300.405 4.397 20 30 DIEDRO CC(C)Cc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC001462307789 1061095738 /nfs/dbraw/zinc/09/57/38/1061095738.db2.gz UGNMYIXJNDTXDF-IRXDYDNUSA-N 1 0 321.468 4.434 20 30 DIEDRO C=CCOCC[N@H+](Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C ZINC001473336772 1061098096 /nfs/dbraw/zinc/09/80/96/1061098096.db2.gz YWHZDCCVUHHJDO-GOSISDBHSA-N 1 0 317.473 4.037 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC001473340296 1061099896 /nfs/dbraw/zinc/09/98/96/1061099896.db2.gz UAHSVEDQAUKYML-QGZVFWFLSA-N 1 0 312.457 4.048 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC001462346034 1061120307 /nfs/dbraw/zinc/12/03/07/1061120307.db2.gz BLHUGHYKCSJORN-CQSZACIVSA-N 1 0 317.354 4.408 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC001462357101 1061125656 /nfs/dbraw/zinc/12/56/56/1061125656.db2.gz REYHNYCNCXWKAV-VLIAUNLRSA-N 1 0 308.400 4.468 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@H]1OC ZINC001462355575 1061126170 /nfs/dbraw/zinc/12/61/70/1061126170.db2.gz LDCVJBROTQYMNK-GUDVDZBRSA-N 1 0 312.457 4.119 20 30 DIEDRO C=CCC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001473390456 1061129702 /nfs/dbraw/zinc/12/97/02/1061129702.db2.gz GOJVGGCVMOBDQG-ALOPSCKCSA-N 1 0 322.493 4.063 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC001462368221 1061131855 /nfs/dbraw/zinc/13/18/55/1061131855.db2.gz QLSRPTSTMWXCSQ-LBPRGKRZSA-N 1 0 304.846 4.185 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc(F)c(F)c1 ZINC001473400256 1061136093 /nfs/dbraw/zinc/13/60/93/1061136093.db2.gz NNYSOYNBDNZDJJ-YOEHRIQHSA-N 1 0 307.384 4.131 20 30 DIEDRO C=CCCCCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001473409497 1061143336 /nfs/dbraw/zinc/14/33/36/1061143336.db2.gz QTBHFZGYGHTQJB-IAGOWNOFSA-N 1 0 324.509 4.406 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001473408892 1061143362 /nfs/dbraw/zinc/14/33/62/1061143362.db2.gz NFTQIJIKTZQVRV-PZJWPPBQSA-N 1 0 312.501 4.070 20 30 DIEDRO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H](C)CCC#N)cc1 ZINC001462409278 1061156772 /nfs/dbraw/zinc/15/67/72/1061156772.db2.gz FKTYVVISZGOCSO-FUHWJXTLSA-N 1 0 300.446 4.032 20 30 DIEDRO C=CCC1([NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)CCOCC1 ZINC001462413796 1061158251 /nfs/dbraw/zinc/15/82/51/1061158251.db2.gz LBWSYNLKWANWPI-QGZVFWFLSA-N 1 0 313.485 4.211 20 30 DIEDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC001462418603 1061162414 /nfs/dbraw/zinc/16/24/14/1061162414.db2.gz UGJDBARIDWJGPE-UHFFFAOYSA-N 1 0 304.437 4.355 20 30 DIEDRO COc1cc(C[N@@H+]2CCC(C)(C)CC(C)(C)C2)ccc1C#N ZINC001462420373 1061162438 /nfs/dbraw/zinc/16/24/38/1061162438.db2.gz ZRLGVZAUIWLNAW-UHFFFAOYSA-N 1 0 300.446 4.215 20 30 DIEDRO C=C(Cl)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001473467415 1061177104 /nfs/dbraw/zinc/17/71/04/1061177104.db2.gz CSGMRRVGYUJILK-ZDUSSCGKSA-N 1 0 305.727 4.378 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC001473487833 1061187897 /nfs/dbraw/zinc/18/78/97/1061187897.db2.gz CYQOKBZIJORLDY-RTWAWAEBSA-N 1 0 323.436 4.089 20 30 DIEDRO C=C(C)CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC001473498255 1061193904 /nfs/dbraw/zinc/19/39/04/1061193904.db2.gz MZWNJHLRUZDPMN-CZUORRHYSA-N 1 0 313.363 4.433 20 30 DIEDRO Cc1cc2c(CC[NH2+][C@@H](C)CC(C)(C)C#N)c[nH]c2cc1F ZINC001462475690 1061195296 /nfs/dbraw/zinc/19/52/96/1061195296.db2.gz AMVBWHPUBXYTNX-ZDUSSCGKSA-N 1 0 301.409 4.076 20 30 DIEDRO C[C@]1(C[N@@H+]2CCc3c(CC#N)cccc3C2)C[C@@H]1c1ccccc1 ZINC001462484040 1061202984 /nfs/dbraw/zinc/20/29/84/1061202984.db2.gz WTWPLTGJOZPMEA-FGZHOGPDSA-N 1 0 316.448 4.305 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC001462504785 1061216526 /nfs/dbraw/zinc/21/65/26/1061216526.db2.gz LISJMHYEMOAKCK-CRAIPNDOSA-N 1 0 302.462 4.152 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC001462504786 1061216757 /nfs/dbraw/zinc/21/67/57/1061216757.db2.gz LISJMHYEMOAKCK-MAUKXSAKSA-N 1 0 302.462 4.152 20 30 DIEDRO CCCCCCC[NH+]1CCN(c2nccc3sccc32)CC1 ZINC001473527158 1061223809 /nfs/dbraw/zinc/22/38/09/1061223809.db2.gz VMTWVYYQNRXYQR-UHFFFAOYSA-N 1 0 317.502 4.389 20 30 DIEDRO Cc1oc2ccccc2c1C[N@H+](C)CCc1cccc(C#N)c1 ZINC001462521740 1061232738 /nfs/dbraw/zinc/23/27/38/1061232738.db2.gz YVSZNEOCGBWPQR-UHFFFAOYSA-N 1 0 304.393 4.287 20 30 DIEDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1(C)C ZINC001473542523 1061237428 /nfs/dbraw/zinc/23/74/28/1061237428.db2.gz VECNYJKCQQUDBA-QZTJIDSGSA-N 1 0 314.473 4.128 20 30 DIEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001473561590 1061248719 /nfs/dbraw/zinc/24/87/19/1061248719.db2.gz PSJCQIVZSKCXCS-IBGZPJMESA-N 1 0 308.400 4.465 20 30 DIEDRO C#CCCCCCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001473566709 1061253172 /nfs/dbraw/zinc/25/31/72/1061253172.db2.gz VRSFZNNJYDUODS-IAGOWNOFSA-N 1 0 307.478 4.012 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c(OC(F)F)c1 ZINC001473567778 1061259131 /nfs/dbraw/zinc/25/91/31/1061259131.db2.gz YBSOUMJLSRMUKV-OAHLLOKOSA-N 1 0 320.383 4.172 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCCC12CCOCC2 ZINC001473573350 1061261665 /nfs/dbraw/zinc/26/16/65/1061261665.db2.gz NDRBACZKYVNULT-LPHOPBHVSA-N 1 0 312.457 4.148 20 30 DIEDRO C=C(C)CC[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC001473577802 1061266634 /nfs/dbraw/zinc/26/66/34/1061266634.db2.gz KZKSZBVAUVFVNG-UHFFFAOYSA-N 1 0 310.235 4.003 20 30 DIEDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC001473582362 1061270432 /nfs/dbraw/zinc/27/04/32/1061270432.db2.gz UZZHDQWIEVEZDA-NRFANRHFSA-N 1 0 322.427 4.489 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1F ZINC001473593807 1061274560 /nfs/dbraw/zinc/27/45/60/1061274560.db2.gz GLNWYWVNXATSFP-LJQANCHMSA-N 1 0 312.388 4.207 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)C(C)(C)C ZINC001462580042 1061277278 /nfs/dbraw/zinc/27/72/78/1061277278.db2.gz WQFUDKBKEHGONP-HNNXBMFYSA-N 1 0 324.472 4.073 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC001473637748 1061306960 /nfs/dbraw/zinc/30/69/60/1061306960.db2.gz LGICYNKTMWHACF-GOEBONIOSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC001473637467 1061307751 /nfs/dbraw/zinc/30/77/51/1061307751.db2.gz ICUFLVSQVGGSPV-PMACEKPBSA-N 1 0 301.474 4.360 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCCC1CCCCC1 ZINC001473637972 1061308770 /nfs/dbraw/zinc/30/87/70/1061308770.db2.gz OHAUGZTYJOMMEM-OALUTQOASA-N 1 0 320.521 4.188 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001462644336 1061316034 /nfs/dbraw/zinc/31/60/34/1061316034.db2.gz IZHOFKAMUPCJAN-BRWVUGGUSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC001473673548 1061335689 /nfs/dbraw/zinc/33/56/89/1061335689.db2.gz OIVRXLWMBUMEFF-OAHLLOKOSA-N 1 0 316.445 4.432 20 30 DIEDRO CC[NH+](CC)CC[C@@H](NCC#Cc1ccccc1)c1ccccc1 ZINC001462681808 1061337728 /nfs/dbraw/zinc/33/77/28/1061337728.db2.gz ZFMLQSCLFROVGK-JOCHJYFZSA-N 1 0 320.480 4.101 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001473675712 1061338970 /nfs/dbraw/zinc/33/89/70/1061338970.db2.gz WMKYLAKRLCHRHJ-VQIMIIECSA-N 1 0 324.509 4.336 20 30 DIEDRO CCC(CC)CCC[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC001473679074 1061339284 /nfs/dbraw/zinc/33/92/84/1061339284.db2.gz LMEHQQHMYBAHIE-UHFFFAOYSA-N 1 0 315.461 4.035 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC001473684142 1061340455 /nfs/dbraw/zinc/34/04/55/1061340455.db2.gz ZKZNXHUGDFEYKV-LJQANCHMSA-N 1 0 305.425 4.153 20 30 DIEDRO C[C@@H]1CCC[C@@H](C[NH+]2CCC(Nc3ccccc3C#N)CC2)C1 ZINC001473682708 1061343643 /nfs/dbraw/zinc/34/36/43/1061343643.db2.gz BLGAFEZDXXGHAV-IAGOWNOFSA-N 1 0 311.473 4.261 20 30 DIEDRO CC[C@@](C)([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC001473705575 1061358852 /nfs/dbraw/zinc/35/88/52/1061358852.db2.gz CGOVLKDKXYYZTG-GOSISDBHSA-N 1 0 300.352 4.251 20 30 DIEDRO C=CCCCC[N@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001473709031 1061360932 /nfs/dbraw/zinc/36/09/32/1061360932.db2.gz JWBRFCDZIPZCDE-INIZCTEOSA-N 1 0 310.482 4.112 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)[C@@]12C[C@@H]1CCCC2 ZINC001473710568 1061361781 /nfs/dbraw/zinc/36/17/81/1061361781.db2.gz AGMDTDQFDZXAKE-DHSIGJKJSA-N 1 0 318.848 4.301 20 30 DIEDRO C=CCCCC[NH+]1C[C@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001473718901 1061366189 /nfs/dbraw/zinc/36/61/89/1061366189.db2.gz RABIRHUAHOOOJR-NHCUHLMSSA-N 1 0 312.501 4.187 20 30 DIEDRO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC1(CC#N)CC1 ZINC001473730053 1061377278 /nfs/dbraw/zinc/37/72/78/1061377278.db2.gz KQSRLDAQFBKUCF-KRWDZBQOSA-N 1 0 304.384 4.056 20 30 DIEDRO CC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1OC ZINC001473735666 1061379324 /nfs/dbraw/zinc/37/93/24/1061379324.db2.gz HJBVGLANPMFANO-GOSISDBHSA-N 1 0 313.828 4.441 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1C ZINC001473781387 1061405913 /nfs/dbraw/zinc/40/59/13/1061405913.db2.gz WSLKTEJKQAIWKO-HNNXBMFYSA-N 1 0 313.828 4.359 20 30 DIEDRO CCCCCCCCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001457090158 1061407530 /nfs/dbraw/zinc/40/75/30/1061407530.db2.gz WPHQAXRVDIFXGK-OALUTQOASA-N 1 0 322.537 4.458 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC001473788859 1061408555 /nfs/dbraw/zinc/40/85/55/1061408555.db2.gz WGJKTZLZPHQUIK-GFCCVEGCSA-N 1 0 318.214 4.041 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473796075 1061411863 /nfs/dbraw/zinc/41/18/63/1061411863.db2.gz BPBQKJLLVDITDA-LJQANCHMSA-N 1 0 322.493 4.066 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)CCCCC1 ZINC001473825116 1061425814 /nfs/dbraw/zinc/42/58/14/1061425814.db2.gz CMJIQRRGWBKXRR-UHFFFAOYSA-N 1 0 324.424 4.166 20 30 DIEDRO CC1(C)CCCC[C@H]1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001473838649 1061428408 /nfs/dbraw/zinc/42/84/08/1061428408.db2.gz JMLWVWLWKWSJCI-OALUTQOASA-N 1 0 312.457 4.148 20 30 DIEDRO CC1(C)CCCC[C@@H]1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001473838653 1061428456 /nfs/dbraw/zinc/42/84/56/1061428456.db2.gz JMLWVWLWKWSJCI-RTBURBONSA-N 1 0 312.457 4.148 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(CF)cc3)CC2)cc1 ZINC001473838985 1061429761 /nfs/dbraw/zinc/42/97/61/1061429761.db2.gz PCNIYDJAHKUBTE-UHFFFAOYSA-N 1 0 308.400 4.407 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473854718 1061435280 /nfs/dbraw/zinc/43/52/80/1061435280.db2.gz MPAMMTDBJZVDEO-INIZCTEOSA-N 1 0 318.417 4.313 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001473857432 1061437181 /nfs/dbraw/zinc/43/71/81/1061437181.db2.gz RSAYJGXRUZBZNK-KRWDZBQOSA-N 1 0 307.359 4.488 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC001473862901 1061438901 /nfs/dbraw/zinc/43/89/01/1061438901.db2.gz OMPBWOHBWSRSST-IBGZPJMESA-N 1 0 311.510 4.255 20 30 DIEDRO CCCCCCCC[C@@H](CO)[NH2+]CC#Cc1ccccc1Cl ZINC001473874095 1061445897 /nfs/dbraw/zinc/44/58/97/1061445897.db2.gz SIDLPDOELOCWAD-SFHVURJKSA-N 1 0 321.892 4.393 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@@H]1CCN(C)C(=O)OC(C)(C)C ZINC001473904099 1061456540 /nfs/dbraw/zinc/45/65/40/1061456540.db2.gz MODMKACMBFRKKT-MRXNPFEDSA-N 1 0 310.482 4.064 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC001473958013 1061499321 /nfs/dbraw/zinc/49/93/21/1061499321.db2.gz OVBGVHLGJYEDLR-FUHWJXTLSA-N 1 0 312.457 4.038 20 30 DIEDRO CCOc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001473963124 1061505117 /nfs/dbraw/zinc/50/51/17/1061505117.db2.gz JYOKJRYYBIFGKF-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+]Cc2ccc(OCC#N)cc2)cc1C ZINC001473992315 1061535651 /nfs/dbraw/zinc/53/56/51/1061535651.db2.gz UYRHZWPBFDJVOX-SNAWJCMRSA-N 1 0 320.436 4.317 20 30 DIEDRO N#CCC[N@@H+](C[C@@H](O)c1ccccc1)C1CCCCCCC1 ZINC001251988978 1061547891 /nfs/dbraw/zinc/54/78/91/1061547891.db2.gz RRKMDUFNPYIHEZ-LJQANCHMSA-N 1 0 300.446 4.049 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNc1nc2c(cccc2F)o1)C(C)C ZINC001458091437 1061565338 /nfs/dbraw/zinc/56/53/38/1061565338.db2.gz JNPRTMVANVFBPB-HNNXBMFYSA-N 1 0 317.408 4.077 20 30 DIEDRO CCc1ccc(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC001474033324 1061576268 /nfs/dbraw/zinc/57/62/68/1061576268.db2.gz HKXWEMHDXKNBBH-UHFFFAOYSA-N 1 0 310.416 4.327 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CCCc1ncccc1C ZINC001252120239 1061579153 /nfs/dbraw/zinc/57/91/53/1061579153.db2.gz QUGDTGBXMITRDT-SFHVURJKSA-N 1 0 306.494 4.024 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001252121086 1061582153 /nfs/dbraw/zinc/58/21/53/1061582153.db2.gz CCRBJZVKIQCHBT-RBUKOAKNSA-N 1 0 304.478 4.330 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1Cc2ccc(OC)cc2C1 ZINC001252130443 1061584733 /nfs/dbraw/zinc/58/47/33/1061584733.db2.gz QLILSQHOIALBQS-SFHVURJKSA-N 1 0 305.462 4.122 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001252130692 1061585295 /nfs/dbraw/zinc/58/52/95/1061585295.db2.gz WRZYNPKESFZCLP-UXHICEINSA-N 1 0 318.505 4.200 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001252130691 1061587458 /nfs/dbraw/zinc/58/74/58/1061587458.db2.gz WRZYNPKESFZCLP-PMACEKPBSA-N 1 0 318.505 4.200 20 30 DIEDRO C=CC1(CC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCCCC1 ZINC001464399668 1061588411 /nfs/dbraw/zinc/58/84/11/1061588411.db2.gz JLUCALSJZFGXOV-XLIONFOSSA-N 1 0 320.521 4.140 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](C)c1nc2ccccc2[nH]1 ZINC001252131433 1061590036 /nfs/dbraw/zinc/59/00/36/1061590036.db2.gz NPDCYLHECWXMDJ-HZPDHXFCSA-N 1 0 317.477 4.325 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC001252132814 1061591872 /nfs/dbraw/zinc/59/18/72/1061591872.db2.gz CLHISAOBPBNLAZ-RTBURBONSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCCC[C@@H](O)CNc1cccc(C[NH+](C)C)c1 ZINC001252133530 1061593085 /nfs/dbraw/zinc/59/30/85/1061593085.db2.gz QCTPISAWVJKNJO-LJQANCHMSA-N 1 0 306.494 4.272 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CCCCc1ccccn1 ZINC001252133297 1061593166 /nfs/dbraw/zinc/59/31/66/1061593166.db2.gz HWHNCUYUDREVSQ-IBGZPJMESA-N 1 0 306.494 4.105 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2nc[nH]c2[C@H]1C(C)C ZINC001252132177 1061593250 /nfs/dbraw/zinc/59/32/50/1061593250.db2.gz BCHJZVFNQGVASA-VQIMIIECSA-N 1 0 321.509 4.076 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc2cnccc21 ZINC001252138732 1061594005 /nfs/dbraw/zinc/59/40/05/1061594005.db2.gz FSRKHBCLCFMGLV-LJQANCHMSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001252138474 1061594134 /nfs/dbraw/zinc/59/41/34/1061594134.db2.gz CROYAZDDVCNVKB-KRWDZBQOSA-N 1 0 322.880 4.413 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)Cc1ccccn1 ZINC001252138594 1061594537 /nfs/dbraw/zinc/59/45/37/1061594537.db2.gz DUSYVOBYZQEUHD-LJQANCHMSA-N 1 0 320.521 4.351 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc2ncccc2c1 ZINC001252137405 1061595133 /nfs/dbraw/zinc/59/51/33/1061595133.db2.gz XYYLDYMCTLBEMN-IBGZPJMESA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC001252137607 1061595827 /nfs/dbraw/zinc/59/58/27/1061595827.db2.gz ZJPWXXPANIQKTR-KRWDZBQOSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC001252140075 1061596591 /nfs/dbraw/zinc/59/65/91/1061596591.db2.gz YBSUJPXWBYEXMI-MOPGFXCFSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)c1ncccc1C ZINC001252138840 1061596727 /nfs/dbraw/zinc/59/67/27/1061596727.db2.gz GLVKAMVPWMPALD-SFHVURJKSA-N 1 0 320.521 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)O ZINC001252139085 1061596774 /nfs/dbraw/zinc/59/67/74/1061596774.db2.gz JBVMIRNYYUSJRK-MOPGFXCFSA-N 1 0 321.505 4.200 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001252138940 1061597324 /nfs/dbraw/zinc/59/73/24/1061597324.db2.gz GGLKIOZXZVEZKH-RTBURBONSA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)Cc1cccnc1 ZINC001252139792 1061597514 /nfs/dbraw/zinc/59/75/14/1061597514.db2.gz SIMJPENWLJDBKT-LJQANCHMSA-N 1 0 320.521 4.351 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc(COC)cc1 ZINC001252139141 1061597557 /nfs/dbraw/zinc/59/75/57/1061597557.db2.gz JVIDQNUOXOPXFZ-IBGZPJMESA-N 1 0 307.478 4.034 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc(F)c(OC)c1 ZINC001252138703 1061597642 /nfs/dbraw/zinc/59/76/42/1061597642.db2.gz CTIRCJKHWHVVFX-INIZCTEOSA-N 1 0 311.441 4.035 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC1(c2ncccc2C)CC1 ZINC001252139337 1061598170 /nfs/dbraw/zinc/59/81/70/1061598170.db2.gz MCFDOFUOLZWIRJ-SFHVURJKSA-N 1 0 318.505 4.123 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC001252139534 1061598444 /nfs/dbraw/zinc/59/84/44/1061598444.db2.gz OWTFWMKADKMRMV-GOSISDBHSA-N 1 0 320.521 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cc(OC(C)C)ccn1 ZINC001252138807 1061598735 /nfs/dbraw/zinc/59/87/35/1061598735.db2.gz GGGLVPRDPJVZQA-GOSISDBHSA-N 1 0 322.493 4.070 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)c1ncccc1F ZINC001252139372 1061598914 /nfs/dbraw/zinc/59/89/14/1061598914.db2.gz MOTFKFIUHJVQIX-MRXNPFEDSA-N 1 0 324.484 4.199 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)cc(OC)c1O ZINC001474106605 1061656961 /nfs/dbraw/zinc/65/69/61/1061656961.db2.gz LQCFEQCGUNXRIU-JKIFEVAISA-N 1 0 303.446 4.044 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC001474106879 1061657286 /nfs/dbraw/zinc/65/72/86/1061657286.db2.gz ODWMAKHBEZNVFL-LJQANCHMSA-N 1 0 320.436 4.085 20 30 DIEDRO C=C[C@](C)(O)C[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC001252551127 1061661496 /nfs/dbraw/zinc/66/14/96/1061661496.db2.gz QPARKCVWPZYCDT-NRFANRHFSA-N 1 0 321.464 4.006 20 30 DIEDRO C=C[C@@](C)(O)C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001252557236 1061663041 /nfs/dbraw/zinc/66/30/41/1061663041.db2.gz IJVSIYJKJLJTTP-LAUBAEHRSA-N 1 0 320.436 4.058 20 30 DIEDRO C=C[C@](C)(O)C[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001252556258 1061664058 /nfs/dbraw/zinc/66/40/58/1061664058.db2.gz FOPSANGUGFLLIA-HOTGVXAUSA-N 1 0 313.363 4.169 20 30 DIEDRO C=C[C@@](C)(O)C[N@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001252558979 1061664277 /nfs/dbraw/zinc/66/42/77/1061664277.db2.gz PYBSMQSQLKZOFT-OAQYLSRUSA-N 1 0 309.453 4.077 20 30 DIEDRO C=C[C@](C)(O)C[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001252559449 1061664499 /nfs/dbraw/zinc/66/44/99/1061664499.db2.gz XHQLCBLDTASUHR-UTKZUKDTSA-N 1 0 320.436 4.058 20 30 DIEDRO Cc1cc(F)c(C#N)c(Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC001458266179 1061667445 /nfs/dbraw/zinc/66/74/45/1061667445.db2.gz MQBGGWNLUCTNLT-UHFFFAOYSA-N 1 0 323.415 4.388 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC001252603362 1061672465 /nfs/dbraw/zinc/67/24/65/1061672465.db2.gz UKRODVRVJXTILD-NRFANRHFSA-N 1 0 309.453 4.058 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC001252602689 1061672966 /nfs/dbraw/zinc/67/29/66/1061672966.db2.gz FADMAULIQAPHFC-SFHVURJKSA-N 1 0 311.425 4.238 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001252599944 1061673043 /nfs/dbraw/zinc/67/30/43/1061673043.db2.gz QIMDJALBRQWCTG-STQMWFEESA-N 1 0 314.256 4.110 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001252602384 1061673562 /nfs/dbraw/zinc/67/35/62/1061673562.db2.gz RRWSFFOASDPYMZ-HOTGVXAUSA-N 1 0 313.363 4.169 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001252601690 1061673654 /nfs/dbraw/zinc/67/36/54/1061673654.db2.gz CPIYLUAVUZGWBO-YHYVQYDKSA-N 1 0 319.448 4.190 20 30 DIEDRO C=CCC[C@H](O)C[NH+]1CCC(c2csc3ccccc32)CC1 ZINC001252603703 1061673953 /nfs/dbraw/zinc/67/39/53/1061673953.db2.gz FINDRBBQWPAECE-INIZCTEOSA-N 1 0 315.482 4.408 20 30 DIEDRO CSc1ccc(CC[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC001474131346 1061677042 /nfs/dbraw/zinc/67/70/42/1061677042.db2.gz NKWJAAPRUDSXKV-UHFFFAOYSA-N 1 0 310.466 4.229 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)c1ccc(Cl)cc1Cl ZINC001252617828 1061679646 /nfs/dbraw/zinc/67/96/46/1061679646.db2.gz LJFFXKYMQSBUGG-GFCCVEGCSA-N 1 0 302.245 4.145 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C1(c2ccccc2C(F)(F)F)CCC1 ZINC001252622711 1061682976 /nfs/dbraw/zinc/68/29/76/1061682976.db2.gz YYKZELUQJJLSIP-ZDUSSCGKSA-N 1 0 313.363 4.001 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cccc3c2OCCCO3)CCCC1 ZINC001474145030 1061690561 /nfs/dbraw/zinc/69/05/61/1061690561.db2.gz FPYSXIFRFQNWKI-UHFFFAOYSA-N 1 0 301.430 4.074 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(O)ccc2Br)CCCC1 ZINC001474145678 1061690645 /nfs/dbraw/zinc/69/06/45/1061690645.db2.gz URZXDSZTNLCTBD-UHFFFAOYSA-N 1 0 324.262 4.381 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](CC)C2CCCC2)cc(OC)c1O ZINC001474145222 1061691287 /nfs/dbraw/zinc/69/12/87/1061691287.db2.gz KCWCAERXVMCRKC-QGZVFWFLSA-N 1 0 303.446 4.188 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)CCCC1 ZINC001474145452 1061691434 /nfs/dbraw/zinc/69/14/34/1061691434.db2.gz QDIFZPOQBRBWLD-INIZCTEOSA-N 1 0 300.446 4.130 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC001474170300 1061719071 /nfs/dbraw/zinc/71/90/71/1061719071.db2.gz QHRXCVYPCAUJGX-RTBURBONSA-N 1 0 305.462 4.039 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C/C=C/c1ccc(F)cc1 ZINC001474185683 1061736795 /nfs/dbraw/zinc/73/67/95/1061736795.db2.gz WZYUHKCPKRYKSH-NUALSEBGSA-N 1 0 306.384 4.378 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)cc1 ZINC001474193524 1061741535 /nfs/dbraw/zinc/74/15/35/1061741535.db2.gz OCJMXTPEHALIQP-HNNXBMFYSA-N 1 0 321.411 4.392 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC001474202705 1061755444 /nfs/dbraw/zinc/75/54/44/1061755444.db2.gz RMRUFXOPKARTIM-UHFFFAOYSA-N 1 0 315.429 4.304 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC[C@@H](C)CC)cc1OC ZINC001474203853 1061757365 /nfs/dbraw/zinc/75/73/65/1061757365.db2.gz WAEFDZSTTNLKQF-ZDUSSCGKSA-N 1 0 311.853 4.439 20 30 DIEDRO C=CCCSCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC001474202799 1061757440 /nfs/dbraw/zinc/75/74/40/1061757440.db2.gz VOTLQXGMTGVCRQ-UHFFFAOYSA-N 1 0 323.355 4.123 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1F ZINC001474207767 1061762051 /nfs/dbraw/zinc/76/20/51/1061762051.db2.gz FJHWMPWHCVYGNY-ZFWWWQNUSA-N 1 0 307.409 4.067 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(Br)c1C ZINC001474207711 1061763432 /nfs/dbraw/zinc/76/34/32/1061763432.db2.gz BSKGOVRRCYCZHC-CJNGLKHVSA-N 1 0 323.278 4.377 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC001474208080 1061764569 /nfs/dbraw/zinc/76/45/69/1061764569.db2.gz RIQIPAQAEJYORR-KFWWJZLASA-N 1 0 304.503 4.492 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]CCC1CCOCC1 ZINC001252978410 1061769062 /nfs/dbraw/zinc/76/90/62/1061769062.db2.gz BDFQDHBMBCWJOG-IBGZPJMESA-N 1 0 313.526 4.284 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1OC ZINC001474211824 1061769075 /nfs/dbraw/zinc/76/90/75/1061769075.db2.gz YVDMPABALJZCDZ-SQNIBIBYSA-N 1 0 315.457 4.176 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@H+](C)Cc1cncs1 ZINC001252983271 1061771349 /nfs/dbraw/zinc/77/13/49/1061771349.db2.gz TXQAXQRTWAUAEE-INIZCTEOSA-N 1 0 312.523 4.467 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC001252980336 1061772031 /nfs/dbraw/zinc/77/20/31/1061772031.db2.gz RQZJRYSSTZXMKA-RBUKOAKNSA-N 1 0 313.526 4.115 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cccnc1C ZINC001252983212 1061773511 /nfs/dbraw/zinc/77/35/11/1061773511.db2.gz SOUUYVHFLKMZBY-IBGZPJMESA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H](C)Cc1cc(C)no1 ZINC001252981031 1061773529 /nfs/dbraw/zinc/77/35/29/1061773529.db2.gz XWYZGYQQFURDSP-SJLPKXTDSA-N 1 0 324.509 4.395 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1c(C)nn(C)c1C ZINC001252982629 1061773645 /nfs/dbraw/zinc/77/36/45/1061773645.db2.gz JEZJSUCKWDCRNE-SFHVURJKSA-N 1 0 323.525 4.018 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]C1CCN(C2CC2)CC1 ZINC001252985287 1061774939 /nfs/dbraw/zinc/77/49/39/1061774939.db2.gz CZHBAAIPIMTGMO-HXUWFJFHSA-N 1 0 324.553 4.095 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001252986944 1061776665 /nfs/dbraw/zinc/77/66/65/1061776665.db2.gz YNOQXEOVIQRMGK-OALUTQOASA-N 1 0 311.510 4.133 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC001252984986 1061776928 /nfs/dbraw/zinc/77/69/28/1061776928.db2.gz CDCSDNACQNDIDF-FHWLQOOXSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccncc1F ZINC001252985785 1061777193 /nfs/dbraw/zinc/77/71/93/1061777193.db2.gz HCNBDNJPTAJLDJ-KRWDZBQOSA-N 1 0 310.457 4.202 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC001252984930 1061777888 /nfs/dbraw/zinc/77/78/88/1061777888.db2.gz KZLCNXAQUVNGFT-GOSISDBHSA-N 1 0 311.510 4.133 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001252987693 1061779456 /nfs/dbraw/zinc/77/94/56/1061779456.db2.gz VRQQZUMACAIAQT-GOSISDBHSA-N 1 0 323.477 4.079 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@@]1(C)CC[C@H](O)CC1 ZINC001252989176 1061779785 /nfs/dbraw/zinc/77/97/85/1061779785.db2.gz NAXPLNHLEASIKH-GUDVDZBRSA-N 1 0 313.526 4.161 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](O)CC1 ZINC001252989247 1061780234 /nfs/dbraw/zinc/78/02/34/1061780234.db2.gz NPPOOVSTKFHEAX-FHWLQOOXSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001252987106 1061780763 /nfs/dbraw/zinc/78/07/63/1061780763.db2.gz QSAHETSTMFJJGB-MSOLQXFVSA-N 1 0 313.526 4.425 20 30 DIEDRO C=C[C@@H]([NH2+]C[C@@H](O)COC[C@H](CC)CCCC)c1ccccc1 ZINC001253033974 1061787630 /nfs/dbraw/zinc/78/76/30/1061787630.db2.gz NLUSSWMKXYYQPY-MISYRCLQSA-N 1 0 319.489 4.097 20 30 DIEDRO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC001474231675 1061794230 /nfs/dbraw/zinc/79/42/30/1061794230.db2.gz ZFIUCXROIJDXAY-UHFFFAOYSA-N 1 0 321.399 4.128 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@]2(Cc3ccccc3)C=CCCC2)n1 ZINC001474233983 1061795722 /nfs/dbraw/zinc/79/57/22/1061795722.db2.gz GZZNNRKHHPPIQJ-LJQANCHMSA-N 1 0 323.465 4.074 20 30 DIEDRO C=C(CC(C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001465803727 1061813215 /nfs/dbraw/zinc/81/32/15/1061813215.db2.gz WUXUPDVBHYYNPG-GOSISDBHSA-N 1 0 320.521 4.092 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC001474264263 1061829254 /nfs/dbraw/zinc/82/92/54/1061829254.db2.gz XOVDNLMYOCUUCB-MHWRWJLKSA-N 1 0 320.436 4.206 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)cc1C#N ZINC001474263234 1061829698 /nfs/dbraw/zinc/82/96/98/1061829698.db2.gz RQNUOTFVBMKQHI-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO CSc1ccc(C[NH2+]C/C(C)=C\c2ccccc2)cc1C#N ZINC001474267110 1061834155 /nfs/dbraw/zinc/83/41/55/1061834155.db2.gz JXXXELNTYDTPMS-GDNBJRDFSA-N 1 0 308.450 4.473 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC001253228166 1061835303 /nfs/dbraw/zinc/83/53/03/1061835303.db2.gz PXWYXAQXFQRULO-AEFFLSMTSA-N 1 0 306.450 4.007 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001253234419 1061837230 /nfs/dbraw/zinc/83/72/30/1061837230.db2.gz AXUDUDNYYZTWKF-OAHLLOKOSA-N 1 0 303.437 4.241 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC001253241278 1061840384 /nfs/dbraw/zinc/84/03/84/1061840384.db2.gz SPPSUAGCUJKKEA-WOJBJXKFSA-N 1 0 316.489 4.414 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C(C)(C)/C=C/Cl)ccc1OC ZINC001474273961 1061840397 /nfs/dbraw/zinc/84/03/97/1061840397.db2.gz NUBZTPRFCVETQX-CMDGGOBGSA-N 1 0 309.837 4.271 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001253241276 1061842572 /nfs/dbraw/zinc/84/25/72/1061842572.db2.gz SPPSUAGCUJKKEA-UXHICEINSA-N 1 0 316.489 4.414 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCOC2(C)C)CC1 ZINC001253242539 1061842646 /nfs/dbraw/zinc/84/26/46/1061842646.db2.gz MQUZYAAVPQXNAW-GOSISDBHSA-N 1 0 323.521 4.155 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+](C)CCC(=O)c1ccccc1 ZINC001253241384 1061842673 /nfs/dbraw/zinc/84/26/73/1061842673.db2.gz VTARJHOWJFUOGK-IBGZPJMESA-N 1 0 317.473 4.079 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001474278634 1061846906 /nfs/dbraw/zinc/84/69/06/1061846906.db2.gz ZEHPKXWYSAATRR-LTIDMASMSA-N 1 0 322.493 4.014 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCOc2cccc(C)c21 ZINC001253246285 1061847648 /nfs/dbraw/zinc/84/76/48/1061847648.db2.gz MCCFGEVCSAHGHU-QZTJIDSGSA-N 1 0 317.473 4.296 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc(F)c(F)c1F ZINC001253247993 1061849517 /nfs/dbraw/zinc/84/95/17/1061849517.db2.gz NWQVURRZJZWAQZ-CQSZACIVSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1F ZINC001253248036 1061850159 /nfs/dbraw/zinc/85/01/59/1061850159.db2.gz OXDRASAJRGNGGT-OAHLLOKOSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1c[nH]c2ccccc12 ZINC001253248593 1061850195 /nfs/dbraw/zinc/85/01/95/1061850195.db2.gz YAGUTPNTERINIW-QGZVFWFLSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cc2ccccc2n1C ZINC001253248341 1061851717 /nfs/dbraw/zinc/85/17/17/1061851717.db2.gz UYLWMQQJGJCWDZ-IBGZPJMESA-N 1 0 314.473 4.155 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001253251791 1061853449 /nfs/dbraw/zinc/85/34/49/1061853449.db2.gz OSTNFUYCYVQRQF-LMDPOFIKSA-N 1 0 304.478 4.080 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC001253253136 1061853523 /nfs/dbraw/zinc/85/35/23/1061853523.db2.gz BYHOODXHHDAHRK-GOSISDBHSA-N 1 0 318.505 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001253250665 1061854002 /nfs/dbraw/zinc/85/40/02/1061854002.db2.gz CTNLFAXVKZFOCZ-RBUKOAKNSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(C)(C)Cc1ccncc1 ZINC001253253138 1061854694 /nfs/dbraw/zinc/85/46/94/1061854694.db2.gz BYVDEHKXWLBPSX-IBGZPJMESA-N 1 0 318.505 4.127 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001253255695 1061856031 /nfs/dbraw/zinc/85/60/31/1061856031.db2.gz ZWCXSDKZKYXNJU-CVEARBPZSA-N 1 0 315.448 4.432 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1cccnc1F)C1CC1 ZINC001253255403 1061856223 /nfs/dbraw/zinc/85/62/23/1061856223.db2.gz YGQLBEPISADLPM-WMZOPIPTSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1ccc(F)cn1)C1CC1 ZINC001253255192 1061856875 /nfs/dbraw/zinc/85/68/75/1061856875.db2.gz XQUGCZXLTRYQEY-HKUYNNGSSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1ccncc1C)C1CC1 ZINC001253253828 1061857524 /nfs/dbraw/zinc/85/75/24/1061857524.db2.gz KXDPVJDJMZPCDY-QUCCMNQESA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cccc2cc[nH]c21 ZINC001253255319 1061857736 /nfs/dbraw/zinc/85/77/36/1061857736.db2.gz INGNNPKZSVDBHE-SFHVURJKSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCOc2ccc(C)cc21 ZINC001253255233 1061857927 /nfs/dbraw/zinc/85/79/27/1061857927.db2.gz HEHKPOHMHGNPEW-HKUYNNGSSA-N 1 0 317.473 4.296 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(C)(C)Cc1cccnc1 ZINC001253254617 1061858003 /nfs/dbraw/zinc/85/80/03/1061858003.db2.gz QYCRSWYCSXPHJZ-IBGZPJMESA-N 1 0 318.505 4.127 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1ccc(C)cn1)C1CC1 ZINC001253255692 1061858268 /nfs/dbraw/zinc/85/82/68/1061858268.db2.gz ZUMBUZUHRMGKJZ-ICSRJNTNSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001253255918 1061859574 /nfs/dbraw/zinc/85/95/74/1061859574.db2.gz NZPJTLAPSSVGOU-OAHLLOKOSA-N 1 0 301.421 4.041 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(c2cccc(OC)c2)CC1 ZINC001253255722 1061859898 /nfs/dbraw/zinc/85/98/98/1061859898.db2.gz LINLJCZNRGEEJW-GOSISDBHSA-N 1 0 317.473 4.161 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H](C)c1cccc(OC)c1 ZINC001253257020 1061859920 /nfs/dbraw/zinc/85/99/20/1061859920.db2.gz JYLQQDDXVFKLBT-IEBWSBKVSA-N 1 0 319.489 4.276 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1([C@@H]2CCOC(C)(C)C2)CC1 ZINC001253257625 1061860450 /nfs/dbraw/zinc/86/04/50/1061860450.db2.gz ZTAGWPHGUNTECD-MSOLQXFVSA-N 1 0 323.521 4.201 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@H]2CCC(F)(F)C2)cc1 ZINC001474292659 1061862665 /nfs/dbraw/zinc/86/26/65/1061862665.db2.gz OCJLCCUEHBRYGB-CQSZACIVSA-N 1 0 306.400 4.403 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCC1CCC(F)(F)CC1 ZINC001474295218 1061863542 /nfs/dbraw/zinc/86/35/42/1061863542.db2.gz ZFJFTPWFZBAQJH-UHFFFAOYSA-N 1 0 306.400 4.480 20 30 DIEDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)n2)cc1 ZINC001474322629 1061903725 /nfs/dbraw/zinc/90/37/25/1061903725.db2.gz LMBKSOGYLXTLPQ-HXUWFJFHSA-N 1 0 305.425 4.414 20 30 DIEDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)n2)cc1 ZINC001474322628 1061904937 /nfs/dbraw/zinc/90/49/37/1061904937.db2.gz LMBKSOGYLXTLPQ-FQEVSTJZSA-N 1 0 305.425 4.414 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)ccc1C#N ZINC001474327107 1061912729 /nfs/dbraw/zinc/91/27/29/1061912729.db2.gz PFIZZHIZTZCTHZ-RDTXWAMCSA-N 1 0 324.424 4.442 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)cc1OC ZINC001474333186 1061924717 /nfs/dbraw/zinc/92/47/17/1061924717.db2.gz WBDFUGAXXGCCRD-OLZOCXBDSA-N 1 0 309.837 4.144 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1cnc[nH]1 ZINC001253563271 1061926574 /nfs/dbraw/zinc/92/65/74/1061926574.db2.gz JWRYTIPTHCDKRD-SFHVURJKSA-N 1 0 309.498 4.171 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1cncn1C ZINC001253562977 1061927245 /nfs/dbraw/zinc/92/72/45/1061927245.db2.gz HQAJTTCLUZSSIO-LJQANCHMSA-N 1 0 323.525 4.182 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001253563424 1061929125 /nfs/dbraw/zinc/92/91/25/1061929125.db2.gz FRSHNKXCDGWMAV-SLFFLAALSA-N 1 0 324.553 4.047 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1ccncn1 ZINC001253565412 1061931416 /nfs/dbraw/zinc/93/14/16/1061931416.db2.gz MWAKFFKTVKUMCO-IBGZPJMESA-N 1 0 321.509 4.238 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H](CO)C1 ZINC001253565255 1061931493 /nfs/dbraw/zinc/93/14/93/1061931493.db2.gz KSLLYJUDJUQDOJ-GUDVDZBRSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[C@H](O)C1 ZINC001253566320 1061932549 /nfs/dbraw/zinc/93/25/49/1061932549.db2.gz ZVVBYMIVIFGLQY-FHWLQOOXSA-N 1 0 313.526 4.019 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Cl)c(O)c(OCC)c1)C1CCCCC1 ZINC001474339074 1061937385 /nfs/dbraw/zinc/93/73/85/1061937385.db2.gz MABKGSXKHVPGQR-UHFFFAOYSA-N 1 0 321.848 4.212 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC001474369016 1062003884 /nfs/dbraw/zinc/00/38/84/1062003884.db2.gz AYKDZVGQSXNOKN-UHFFFAOYSA-N 1 0 303.475 4.327 20 30 DIEDRO CCCCCCCCCCCc1cn(C2CC[NH2+]CC2)nn1 ZINC001254080745 1062021147 /nfs/dbraw/zinc/02/11/47/1062021147.db2.gz RNBJHMTVEYFSJO-UHFFFAOYSA-N 1 0 306.498 4.276 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001474383718 1062030895 /nfs/dbraw/zinc/03/08/95/1062030895.db2.gz FEGJGHNIZGPXEB-QGZVFWFLSA-N 1 0 307.437 4.241 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC001474393132 1062045394 /nfs/dbraw/zinc/04/53/94/1062045394.db2.gz JHKZAZSSBITQGI-ZIAGYGMSSA-N 1 0 301.409 4.325 20 30 DIEDRO COc1c(C)cnc(CSCc2cc(F)ccc2C#N)c1C ZINC001254223330 1062056868 /nfs/dbraw/zinc/05/68/68/1062056868.db2.gz RYXZLBAJYOYCSS-UHFFFAOYSA-N 1 0 316.401 4.151 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC001254311662 1062076484 /nfs/dbraw/zinc/07/64/84/1062076484.db2.gz IKXFXTMVYLWTCZ-OAHLLOKOSA-N 1 0 310.482 4.063 20 30 DIEDRO Cc1cccc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)n1 ZINC001254342482 1062080432 /nfs/dbraw/zinc/08/04/32/1062080432.db2.gz PSSMSBBRZOZJKJ-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO CC1(C)CC([NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254348222 1062080569 /nfs/dbraw/zinc/08/05/69/1062080569.db2.gz DAUHZGFFBLYFAP-UHFFFAOYSA-N 1 0 300.421 4.308 20 30 DIEDRO Cc1cncc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)c1 ZINC001254341534 1062081270 /nfs/dbraw/zinc/08/12/70/1062081270.db2.gz GQMNIMCSBYKMON-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2cccs2)CC1 ZINC001254341274 1062082176 /nfs/dbraw/zinc/08/21/76/1062082176.db2.gz FHXBPKBJUNELIL-UHFFFAOYSA-N 1 0 314.429 4.381 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CCCC2(F)F)CC1 ZINC001254348128 1062082220 /nfs/dbraw/zinc/08/22/20/1062082220.db2.gz CAMGMCUCNWZODL-CGZBRXJRSA-N 1 0 322.374 4.307 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1ccncc1 ZINC001254341634 1062082744 /nfs/dbraw/zinc/08/27/44/1062082744.db2.gz HUOITBBVHVWJBQ-VMEOHVCESA-N 1 0 323.415 4.275 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC3(CCC3)C2)CC1 ZINC001254358492 1062083517 /nfs/dbraw/zinc/08/35/17/1062083517.db2.gz DRNBVASWBRJVJE-UHFFFAOYSA-N 1 0 312.432 4.406 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254353162 1062083961 /nfs/dbraw/zinc/08/39/61/1062083961.db2.gz SOEPARICCHWELY-VNCLNFNDSA-N 1 0 300.421 4.404 20 30 DIEDRO C[N@H+](CC1CCC1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254355670 1062084672 /nfs/dbraw/zinc/08/46/72/1062084672.db2.gz JLFZSKZNYHYEPX-UHFFFAOYSA-N 1 0 300.421 4.262 20 30 DIEDRO CCC1([NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)CCC1 ZINC001254351118 1062085599 /nfs/dbraw/zinc/08/55/99/1062085599.db2.gz SJGUBFUXBXZOBS-UHFFFAOYSA-N 1 0 300.421 4.452 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1CCC(C#N)CC1 ZINC001459334742 1062095842 /nfs/dbraw/zinc/09/58/42/1062095842.db2.gz OAUBNQUIZRMCPK-UHFFFAOYSA-N 1 0 313.489 4.293 20 30 DIEDRO C#CC[N@@H+](CCc1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 ZINC001459342736 1062096786 /nfs/dbraw/zinc/09/67/86/1062096786.db2.gz FPKIDJZDJKRPJH-HXUWFJFHSA-N 1 0 311.375 4.130 20 30 DIEDRO C=CC[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccccc1F ZINC001459346212 1062101600 /nfs/dbraw/zinc/10/16/00/1062101600.db2.gz KVHKWNCMMMOWSH-ZDUSSCGKSA-N 1 0 302.220 4.398 20 30 DIEDRO C#CC[N@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@@H]1CCc2ccccc21 ZINC001459345360 1062102121 /nfs/dbraw/zinc/10/21/21/1062102121.db2.gz OGYCMZVZIFXYKX-PZJWPPBQSA-N 1 0 323.480 4.349 20 30 DIEDRO CC[N@H+](C[C@H](Cc1ccccc1)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC001459350031 1062103171 /nfs/dbraw/zinc/10/31/71/1062103171.db2.gz LIOCAIMDKODTQU-UWJYYQICSA-N 1 0 322.452 4.199 20 30 DIEDRO CC[N@H+](C[C@@H](Cc1ccccc1)OC)[C@H](C)c1ccc(C#N)cc1 ZINC001459350016 1062104086 /nfs/dbraw/zinc/10/40/86/1062104086.db2.gz LIOCAIMDKODTQU-DYESRHJHSA-N 1 0 322.452 4.199 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC001474431021 1062106270 /nfs/dbraw/zinc/10/62/70/1062106270.db2.gz ZCRCKKMUIHHTSL-HNNXBMFYSA-N 1 0 300.471 4.065 20 30 DIEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H](CC)c1ccccc1 ZINC001459365066 1062113928 /nfs/dbraw/zinc/11/39/28/1062113928.db2.gz BITYQJPOBOFHKN-MOPGFXCFSA-N 1 0 314.473 4.295 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C3CCc4ccccc4CC3)CC2)cc1 ZINC001254453110 1062114358 /nfs/dbraw/zinc/11/43/58/1062114358.db2.gz TYGDYGPOFLRVPT-UHFFFAOYSA-N 1 0 302.421 4.085 20 30 DIEDRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001474437516 1062114771 /nfs/dbraw/zinc/11/47/71/1062114771.db2.gz ZGISPPISHFIOBK-CVEARBPZSA-N 1 0 324.472 4.263 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Br ZINC001474446605 1062123155 /nfs/dbraw/zinc/12/31/55/1062123155.db2.gz ULHIEBZPEFUVCO-UHFFFAOYSA-N 1 0 322.168 4.476 20 30 DIEDRO CC(C)C[N@H+](CCc1ccc(F)cc1)CCc1ccc(C#N)cc1 ZINC001459394497 1062123319 /nfs/dbraw/zinc/12/33/19/1062123319.db2.gz YJVRPRVDPSPHGI-UHFFFAOYSA-N 1 0 324.443 4.441 20 30 DIEDRO C=CC[N@@H+](CCCc1ccccc1C)Cc1cccc(C#N)c1 ZINC001459401068 1062127052 /nfs/dbraw/zinc/12/70/52/1062127052.db2.gz SRACKKYKDQIELC-UHFFFAOYSA-N 1 0 304.437 4.488 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C1CCCCC1 ZINC001459394148 1062127647 /nfs/dbraw/zinc/12/76/47/1062127647.db2.gz UTYLZSVMPYNJDR-UHFFFAOYSA-N 1 0 319.832 4.016 20 30 DIEDRO CCC[C@H](CCc1ccccc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001254493024 1062133719 /nfs/dbraw/zinc/13/37/19/1062133719.db2.gz IVOAYPWGVXPQBQ-MSOLQXFVSA-N 1 0 315.482 4.062 20 30 DIEDRO C=C(C)c1cccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC001467478708 1062134992 /nfs/dbraw/zinc/13/49/92/1062134992.db2.gz XKCYMFXUCNYAHJ-UHFFFAOYSA-N 1 0 315.461 4.106 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC001474459052 1062137235 /nfs/dbraw/zinc/13/72/35/1062137235.db2.gz RZAXZROWNPUXTE-SJLPKXTDSA-N 1 0 308.400 4.198 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 ZINC001474459844 1062137369 /nfs/dbraw/zinc/13/73/69/1062137369.db2.gz MHPVEORGOUGSLG-HSQYWUDLSA-N 1 0 319.448 4.055 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001474467338 1062146491 /nfs/dbraw/zinc/14/64/91/1062146491.db2.gz VPYZQTKSHGJBCE-MRXNPFEDSA-N 1 0 322.493 4.278 20 30 DIEDRO C#Cc1ccc(C[N@H+](C)CCOc2ccccc2C(C)(C)C)cc1 ZINC001474481659 1062161657 /nfs/dbraw/zinc/16/16/57/1062161657.db2.gz CHUTVCUHBMXHEO-UHFFFAOYSA-N 1 0 321.464 4.476 20 30 DIEDRO C=CC[N@H+](CC1CCCCC1)C[C@@](C)(O)c1ccc(F)cc1 ZINC001459492332 1062168373 /nfs/dbraw/zinc/16/83/73/1062168373.db2.gz VRXLHHJOIXQCHC-LJQANCHMSA-N 1 0 305.437 4.102 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+](CCC3CCCCC3)CC2)cc1 ZINC001474492164 1062170967 /nfs/dbraw/zinc/17/09/67/1062170967.db2.gz REQQZGIPJDITQI-UHFFFAOYSA-N 1 0 312.457 4.372 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)c(C)c1 ZINC001474493706 1062173659 /nfs/dbraw/zinc/17/36/59/1062173659.db2.gz XCIPBKMESXSGLU-UHFFFAOYSA-N 1 0 323.436 4.360 20 30 DIEDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC001459523800 1062182741 /nfs/dbraw/zinc/18/27/41/1062182741.db2.gz FDXMTQBUBQMMAH-GJZGRUSLSA-N 1 0 320.864 4.295 20 30 DIEDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)o1 ZINC001459538145 1062191870 /nfs/dbraw/zinc/19/18/70/1062191870.db2.gz FHMGVJXNZVYRMW-OALUTQOASA-N 1 0 324.424 4.110 20 30 DIEDRO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)o1 ZINC001459538139 1062192187 /nfs/dbraw/zinc/19/21/87/1062192187.db2.gz FHMGVJXNZVYRMW-MOPGFXCFSA-N 1 0 324.424 4.110 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001474509067 1062192455 /nfs/dbraw/zinc/19/24/55/1062192455.db2.gz KHEKLWXORJEJOX-FBBABVLZSA-N 1 0 320.411 4.465 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001467727607 1062193648 /nfs/dbraw/zinc/19/36/48/1062193648.db2.gz MWYHILBHMOORLC-UHFFFAOYSA-N 1 0 322.880 4.043 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600938 1062194932 /nfs/dbraw/zinc/19/49/32/1062194932.db2.gz SMDPLOPKURCMQF-FQEVSTJZSA-N 1 0 322.408 4.140 20 30 DIEDRO C=C(C)C[N@@H+](CCC(C)(C)SC)Cc1cnn(C(C)C)c1 ZINC001474519053 1062201954 /nfs/dbraw/zinc/20/19/54/1062201954.db2.gz YCEBCMDLVYLQBB-UHFFFAOYSA-N 1 0 309.523 4.374 20 30 DIEDRO CC(C)(c1ccccc1)C1([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC001474521985 1062205803 /nfs/dbraw/zinc/20/58/03/1062205803.db2.gz XHRMXTZIXLTXOY-UHFFFAOYSA-N 1 0 308.400 4.297 20 30 DIEDRO C#CCN(C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC001474533274 1062218609 /nfs/dbraw/zinc/21/86/09/1062218609.db2.gz XZYUZWREAGVEQD-QFIPXVFZSA-N 1 0 324.512 4.022 20 30 DIEDRO CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254664987 1062222422 /nfs/dbraw/zinc/22/24/22/1062222422.db2.gz KPSPHKVAAUDYEU-NZGUISNBSA-N 1 0 323.484 4.013 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C1 ZINC001254660983 1062224606 /nfs/dbraw/zinc/22/46/06/1062224606.db2.gz NXIUSRWDMQSMFC-FUHWJXTLSA-N 1 0 302.849 4.287 20 30 DIEDRO C=CCCCCCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001467874462 1062224689 /nfs/dbraw/zinc/22/46/89/1062224689.db2.gz LFUXRCWVJRIUIY-UHFFFAOYSA-N 1 0 314.473 4.149 20 30 DIEDRO CCC[N@H+](Cc1cccc(Br)c1)[C@H]1CC[C@H](C#N)C1 ZINC001254671325 1062227198 /nfs/dbraw/zinc/22/71/98/1062227198.db2.gz QPGJMJNAMNTQNU-BBRMVZONSA-N 1 0 321.262 4.353 20 30 DIEDRO C#C[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC001474544897 1062240175 /nfs/dbraw/zinc/24/01/75/1062240175.db2.gz WOXZQDAZLANWIO-KRWDZBQOSA-N 1 0 305.755 4.125 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC001474553556 1062252931 /nfs/dbraw/zinc/25/29/31/1062252931.db2.gz PXYSVWHEEZPHPE-IMFGXOCKSA-N 1 0 311.469 4.415 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001474558216 1062262390 /nfs/dbraw/zinc/26/23/90/1062262390.db2.gz XYEJNFJPUBTMOT-FZKQIMNGSA-N 1 0 301.792 4.374 20 30 DIEDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCc2ccc(C#N)cc2)o1 ZINC001459643043 1062270083 /nfs/dbraw/zinc/27/00/83/1062270083.db2.gz IMCXWLZUZIGPKN-DNVCBOLYSA-N 1 0 308.425 4.475 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001459633795 1062270577 /nfs/dbraw/zinc/27/05/77/1062270577.db2.gz CCITVVXSMMTSJZ-LJQANCHMSA-N 1 0 310.416 4.459 20 30 DIEDRO C=CCCC[NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254873641 1062271911 /nfs/dbraw/zinc/27/19/11/1062271911.db2.gz MDMUKSSCKZHQBG-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(O)cc(Cl)c1 ZINC001474591746 1062303401 /nfs/dbraw/zinc/30/34/01/1062303401.db2.gz QXNCJPJOFIICMN-GFCCVEGCSA-N 1 0 300.789 4.110 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001474591290 1062305106 /nfs/dbraw/zinc/30/51/06/1062305106.db2.gz DYAWGGUKQDXQKS-VYHVBIQSSA-N 1 0 322.374 4.412 20 30 DIEDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001459692400 1062310430 /nfs/dbraw/zinc/31/04/30/1062310430.db2.gz CSPSPCZLNWCCPX-ROUUACIJSA-N 1 0 319.876 4.217 20 30 DIEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001459710965 1062325973 /nfs/dbraw/zinc/32/59/73/1062325973.db2.gz SLTCOAIWMUYVND-VQIMIIECSA-N 1 0 300.446 4.228 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC001474618074 1062337618 /nfs/dbraw/zinc/33/76/18/1062337618.db2.gz LXUNOOAOTZNCON-ZTFGCOKTSA-N 1 0 305.487 4.086 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001474618092 1062339004 /nfs/dbraw/zinc/33/90/04/1062339004.db2.gz MTROXGQQIMRXNU-UHFFFAOYSA-N 1 0 321.486 4.041 20 30 DIEDRO CC[C@H](CC#N)[NH2+]C1(Cc2cccc(C(F)(F)F)c2)CCC1 ZINC001255160452 1062344287 /nfs/dbraw/zinc/34/42/87/1062344287.db2.gz KGMQRMZALPNZTI-OAHLLOKOSA-N 1 0 310.363 4.452 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2c(C)cc(OC)cc2O)CCCC1 ZINC001474624624 1062348067 /nfs/dbraw/zinc/34/80/67/1062348067.db2.gz BXMTXNPRHIACED-UHFFFAOYSA-N 1 0 303.446 4.325 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001255162762 1062348047 /nfs/dbraw/zinc/34/80/47/1062348047.db2.gz YJDLNFCRKKLPIL-OAHLLOKOSA-N 1 0 321.415 4.102 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]C1(c2cccc(OC)c2)CCC(F)(F)CC1 ZINC001255162475 1062349147 /nfs/dbraw/zinc/34/91/47/1062349147.db2.gz QRKKKSQHUNUHFB-HNNXBMFYSA-N 1 0 322.399 4.382 20 30 DIEDRO CC[C@@H](CC#N)[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001255177442 1062354255 /nfs/dbraw/zinc/35/42/55/1062354255.db2.gz RYYDSNGFLYMWDM-HOTGVXAUSA-N 1 0 321.262 4.148 20 30 DIEDRO CCCCCCC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255207101 1062356753 /nfs/dbraw/zinc/35/67/53/1062356753.db2.gz IHGGFOHGMAROFF-BJWYYQGGSA-N 1 0 310.482 4.041 20 30 DIEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001459749165 1062357534 /nfs/dbraw/zinc/35/75/34/1062357534.db2.gz WFFVTKMYEGARQS-LSDHHAIUSA-N 1 0 302.487 4.003 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCOC2CCC2)C(C)(C)C)cc1 ZINC001459749950 1062362515 /nfs/dbraw/zinc/36/25/15/1062362515.db2.gz XHAPNBIGSGXCNF-UHFFFAOYSA-N 1 0 317.473 4.421 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001459798498 1062407621 /nfs/dbraw/zinc/40/76/21/1062407621.db2.gz SRPPWTMASDUPCV-UXHICEINSA-N 1 0 301.474 4.191 20 30 DIEDRO CC(C)(C)[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001459803741 1062411006 /nfs/dbraw/zinc/41/10/06/1062411006.db2.gz BBBNRFWJPONZCS-INIZCTEOSA-N 1 0 309.375 4.425 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC2CCC(C#N)CC2)c1 ZINC001459812258 1062415679 /nfs/dbraw/zinc/41/56/79/1062415679.db2.gz DEJYHERWKHNQGL-ILCXRZRJSA-N 1 0 312.457 4.408 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC001474689296 1062419842 /nfs/dbraw/zinc/41/98/42/1062419842.db2.gz OSTKENHDWCKDRH-ZDUSSCGKSA-N 1 0 310.388 4.018 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)cc2C)c1 ZINC001459814378 1062420098 /nfs/dbraw/zinc/42/00/98/1062420098.db2.gz NJGGSNZAQJIKNN-QVKFZJNVSA-N 1 0 320.436 4.458 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC001474693377 1062421000 /nfs/dbraw/zinc/42/10/00/1062421000.db2.gz QZMYEDNNIMCZGI-SJLPKXTDSA-N 1 0 300.446 4.213 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC001474693378 1062421745 /nfs/dbraw/zinc/42/17/45/1062421745.db2.gz QZMYEDNNIMCZGI-WMZOPIPTSA-N 1 0 300.446 4.213 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001474694667 1062424028 /nfs/dbraw/zinc/42/40/28/1062424028.db2.gz LBCAIXZXYSDQGB-ZQIUZPCESA-N 1 0 309.375 4.418 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001474697027 1062424045 /nfs/dbraw/zinc/42/40/45/1062424045.db2.gz QMXSHGFNZLHSQK-GJZGRUSLSA-N 1 0 324.509 4.260 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(C)c(F)c1 ZINC001459819124 1062425926 /nfs/dbraw/zinc/42/59/26/1062425926.db2.gz XJBCQHGWSVMRIE-LJQANCHMSA-N 1 0 312.388 4.126 20 30 DIEDRO C=CCCCCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC001459827629 1062430930 /nfs/dbraw/zinc/43/09/30/1062430930.db2.gz XCNIDOXZSVKRSK-IBGZPJMESA-N 1 0 301.430 4.245 20 30 DIEDRO CCCCN(CCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255405896 1062440709 /nfs/dbraw/zinc/44/07/09/1062440709.db2.gz ZTRMFNJXAFSNHL-HXUWFJFHSA-N 1 0 313.489 4.057 20 30 DIEDRO CCCCN(CCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255405894 1062440797 /nfs/dbraw/zinc/44/07/97/1062440797.db2.gz ZTRMFNJXAFSNHL-FQEVSTJZSA-N 1 0 313.489 4.057 20 30 DIEDRO C=CC[N@H+]([C@H]1CCCN(Cc2ccccc2)CC1)C(C)(C)C ZINC001255410104 1062445587 /nfs/dbraw/zinc/44/55/87/1062445587.db2.gz QWIQEDGSZIABNJ-IBGZPJMESA-N 1 0 300.490 4.328 20 30 DIEDRO C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1cccc(F)c1F ZINC001255453500 1062452461 /nfs/dbraw/zinc/45/24/61/1062452461.db2.gz FTJRJGZRTCLTNF-VZDIAYEVSA-N 1 0 312.363 4.239 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC#Cc2ccccc2)C2CCC2)cc1 ZINC001474736435 1062454949 /nfs/dbraw/zinc/45/49/49/1062454949.db2.gz HLFUSERHUGLCTP-NRFANRHFSA-N 1 0 305.421 4.178 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]CC[C@@H]2CCC(F)(F)C2)C1 ZINC001474743384 1062460018 /nfs/dbraw/zinc/46/00/18/1062460018.db2.gz KINPGPCJJHOLII-OOHWJJMZSA-N 1 0 304.384 4.025 20 30 DIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC001459872849 1062462657 /nfs/dbraw/zinc/46/26/57/1062462657.db2.gz HZBHFCPFMBBEPY-IAGOWNOFSA-N 1 0 322.452 4.438 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001459892930 1062478472 /nfs/dbraw/zinc/47/84/72/1062478472.db2.gz RTVYZHPVBCQJHE-IRXDYDNUSA-N 1 0 324.509 4.358 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC001459907838 1062490202 /nfs/dbraw/zinc/49/02/02/1062490202.db2.gz RNMNXFMXAIYQSP-NRFANRHFSA-N 1 0 320.436 4.164 20 30 DIEDRO C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC001459925253 1062501653 /nfs/dbraw/zinc/50/16/53/1062501653.db2.gz UOYCGMSLVQAXGU-CQSZACIVSA-N 1 0 309.375 4.425 20 30 DIEDRO C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC001459925249 1062501787 /nfs/dbraw/zinc/50/17/87/1062501787.db2.gz UOYCGMSLVQAXGU-AWEZNQCLSA-N 1 0 309.375 4.425 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001469238509 1062507621 /nfs/dbraw/zinc/50/76/21/1062507621.db2.gz KNMQXTFETDKBCT-RBUKOAKNSA-N 1 0 322.537 4.460 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255692845 1062520220 /nfs/dbraw/zinc/52/02/20/1062520220.db2.gz FQRFDEMPFXGUJT-WOSRLPQWSA-N 1 0 308.347 4.256 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)(CC1)CC2 ZINC001255692185 1062520843 /nfs/dbraw/zinc/52/08/43/1062520843.db2.gz MZSTVBYDPBXKEB-HESLUPGFSA-N 1 0 300.368 4.314 20 30 DIEDRO C#CCC[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001459958936 1062527348 /nfs/dbraw/zinc/52/73/48/1062527348.db2.gz NHRAMGBVTQWYIL-GFCCVEGCSA-N 1 0 309.253 4.312 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459971099 1062538609 /nfs/dbraw/zinc/53/86/09/1062538609.db2.gz OKQDFTUBFSLBQE-CALCHBBNSA-N 1 0 322.493 4.207 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001255729273 1062549850 /nfs/dbraw/zinc/54/98/50/1062549850.db2.gz GTBVEJZTDHIPSB-GFCCVEGCSA-N 1 0 318.392 4.107 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001255730611 1062553718 /nfs/dbraw/zinc/55/37/18/1062553718.db2.gz XBIOWAYDMOXQEH-LBPRGKRZSA-N 1 0 318.392 4.107 20 30 DIEDRO Cc1ccc(SC[C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC001255759126 1062581340 /nfs/dbraw/zinc/58/13/40/1062581340.db2.gz NVMZIYLXDFMUSH-CQSZACIVSA-N 1 0 314.429 4.276 20 30 DIEDRO CCCCCCC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC001460026404 1062583088 /nfs/dbraw/zinc/58/30/88/1062583088.db2.gz AKZRCSMAMUXXBO-UHFFFAOYSA-N 1 0 303.490 4.274 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@@H](O)c2cccc(Cl)c2)CCCC1(C)C ZINC001460031264 1062586836 /nfs/dbraw/zinc/58/68/36/1062586836.db2.gz RTDUXZMPUWOQAR-IAGOWNOFSA-N 1 0 307.865 4.440 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](C)c1cc(Cl)ccc1Cl ZINC001460032988 1062587134 /nfs/dbraw/zinc/58/71/34/1062587134.db2.gz OMBMYJFTNPOOSH-ZDUSSCGKSA-N 1 0 315.288 4.494 20 30 DIEDRO CC(C)C[C@H](C)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001460046419 1062597388 /nfs/dbraw/zinc/59/73/88/1062597388.db2.gz FOXCFYBFXNPZKA-INIZCTEOSA-N 1 0 300.446 4.084 20 30 DIEDRO CCC(CC)[C@H](c1ccc(Cl)cc1)[N@H+](C)CC#CCOC ZINC001460047431 1062600156 /nfs/dbraw/zinc/60/01/56/1062600156.db2.gz ROQBSCGIBQRKNP-GOSISDBHSA-N 1 0 307.865 4.399 20 30 DIEDRO C[C@H](Cc1ccccc1F)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001255833829 1062618780 /nfs/dbraw/zinc/61/87/80/1062618780.db2.gz BYNHPRCHXVDWBY-CYBMUJFWSA-N 1 0 322.383 4.021 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1(C)C ZINC001460081401 1062620329 /nfs/dbraw/zinc/62/03/29/1062620329.db2.gz YFSZRIWDNSOCDG-QZTJIDSGSA-N 1 0 319.876 4.265 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC001460081436 1062620648 /nfs/dbraw/zinc/62/06/48/1062620648.db2.gz ZDWDAMLXLFLRKJ-QGZVFWFLSA-N 1 0 303.446 4.285 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCc2ccccc2CC1 ZINC001460108304 1062642571 /nfs/dbraw/zinc/64/25/71/1062642571.db2.gz HAIIAZHBHSSQMI-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO CCCCCCC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC001460143667 1062660213 /nfs/dbraw/zinc/66/02/13/1062660213.db2.gz DXQNFCKEGVWWFS-UHFFFAOYSA-N 1 0 307.453 4.477 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)N[C@H](C)CC[NH+](CC)CC ZINC001255950277 1062670871 /nfs/dbraw/zinc/67/08/71/1062670871.db2.gz GSCFOTCUQNRTCF-IAGOWNOFSA-N 1 0 304.478 4.022 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC001460226786 1062711323 /nfs/dbraw/zinc/71/13/23/1062711323.db2.gz AKUUNKWPIAJERA-LJQANCHMSA-N 1 0 301.430 4.067 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1cccc(OC)c1)c1cccc(C#N)c1 ZINC001256151331 1062729262 /nfs/dbraw/zinc/72/92/62/1062729262.db2.gz NYATUQUZSRKLRO-FOIQADDNSA-N 1 0 308.425 4.239 20 30 DIEDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](c2cccc(C#N)c2)C(C)C)c1 ZINC001256151032 1062730410 /nfs/dbraw/zinc/73/04/10/1062730410.db2.gz LQFLDBSEFCDSDC-IIBYNOLFSA-N 1 0 322.452 4.485 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001256173836 1062742053 /nfs/dbraw/zinc/74/20/53/1062742053.db2.gz UGZGWIOOEQILRB-XEZPLFJOSA-N 1 0 321.262 4.052 20 30 DIEDRO CCCC[N@H+](CCC#N)[C@H](C)Cc1cccc(Br)c1 ZINC001256188258 1062745781 /nfs/dbraw/zinc/74/57/81/1062745781.db2.gz PPXOISOLBMKDLX-CQSZACIVSA-N 1 0 323.278 4.396 20 30 DIEDRO CCC[N@H+](CCC#N)[C@@H](C)Cc1cccc(Br)c1 ZINC001256189076 1062747411 /nfs/dbraw/zinc/74/74/11/1062747411.db2.gz YBOHWCKZJYNHRU-ZDUSSCGKSA-N 1 0 309.251 4.006 20 30 DIEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001460272362 1062749284 /nfs/dbraw/zinc/74/92/84/1062749284.db2.gz WCZXFHWKUCNABG-FQEVSTJZSA-N 1 0 308.400 4.295 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001256229086 1062753801 /nfs/dbraw/zinc/75/38/01/1062753801.db2.gz LNAIZTPBTILANV-CZUORRHYSA-N 1 0 321.262 4.006 20 30 DIEDRO C#CC1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC001460290994 1062761901 /nfs/dbraw/zinc/76/19/01/1062761901.db2.gz UIFYOWUJMKVJBQ-UHFFFAOYSA-N 1 0 318.214 4.041 20 30 DIEDRO CN(CCC[NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccccc1 ZINC001460309401 1062771188 /nfs/dbraw/zinc/77/11/88/1062771188.db2.gz KPAAXXMGGWJKLQ-UHFFFAOYSA-N 1 0 319.452 4.054 20 30 DIEDRO C#CCCCCCC[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001460309207 1062773333 /nfs/dbraw/zinc/77/33/33/1062773333.db2.gz CJMWUZMDUVIDFT-UHFFFAOYSA-N 1 0 309.356 4.024 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)cc1C#N ZINC001460330121 1062786429 /nfs/dbraw/zinc/78/64/29/1062786429.db2.gz AYZXUSYIQVPKGJ-OAHLLOKOSA-N 1 0 308.400 4.168 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001460334165 1062786851 /nfs/dbraw/zinc/78/68/51/1062786851.db2.gz OANZQWMVQIOYBK-LSDHHAIUSA-N 1 0 308.400 4.420 20 30 DIEDRO C#CCOCC[NH2+][C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001460355685 1062803929 /nfs/dbraw/zinc/80/39/29/1062803929.db2.gz JICXHEOEXNALIH-ZWKOTPCHSA-N 1 0 323.436 4.127 20 30 DIEDRO C#CCOCC[NH2+][C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001460355626 1062804114 /nfs/dbraw/zinc/80/41/14/1062804114.db2.gz JICXHEOEXNALIH-MSOLQXFVSA-N 1 0 323.436 4.127 20 30 DIEDRO C=CC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC001460360910 1062806130 /nfs/dbraw/zinc/80/61/30/1062806130.db2.gz JZIRPZAJTVPGPW-SFHVURJKSA-N 1 0 322.452 4.449 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC001460367436 1062814182 /nfs/dbraw/zinc/81/41/82/1062814182.db2.gz OTMATVLMYGNHAV-LJQANCHMSA-N 1 0 312.457 4.229 20 30 DIEDRO N#CCc1cccc2c1CC[N@H+](Cc1ccccc1C1CC1)C2 ZINC001460565751 1062913188 /nfs/dbraw/zinc/91/31/88/1062913188.db2.gz GYBDEPORQYEAEM-UHFFFAOYSA-N 1 0 302.421 4.188 20 30 DIEDRO CC(C)(C#N)CC[N@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC001460630429 1062951390 /nfs/dbraw/zinc/95/13/90/1062951390.db2.gz DXIGVZRAARUNAN-FQEVSTJZSA-N 1 0 322.452 4.162 20 30 DIEDRO C[N@@H+](C/C=C/c1ccc(Cl)cc1)CCc1cccc(C#N)c1 ZINC001460667004 1062971665 /nfs/dbraw/zinc/97/16/65/1062971665.db2.gz WAAFWHKFJCTROI-ZZXKWVIFSA-N 1 0 310.828 4.399 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC001256793678 1062983677 /nfs/dbraw/zinc/98/36/77/1062983677.db2.gz RFSVORQNDRUYPQ-PMACEKPBSA-N 1 0 318.420 4.057 20 30 DIEDRO CC[C@]1(CCc2ccccc2)CCC[N@@H+]1Cc1ccncc1C#N ZINC001460711240 1063006972 /nfs/dbraw/zinc/00/69/72/1063006972.db2.gz TVPPYJMPFLURFR-OAQYLSRUSA-N 1 0 319.452 4.331 20 30 DIEDRO CCCC[N@H+](CCC#N)[C@@H](C)Cc1ccccc1Br ZINC001256844685 1063012629 /nfs/dbraw/zinc/01/26/29/1063012629.db2.gz OZABQPIDQDNXGJ-AWEZNQCLSA-N 1 0 323.278 4.396 20 30 DIEDRO C=CCCCC[NH+]1CCN([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001460730418 1063025067 /nfs/dbraw/zinc/02/50/67/1063025067.db2.gz LWQODHSXHWJZGI-IBGZPJMESA-N 1 0 304.453 4.251 20 30 DIEDRO C=C(Br)C[N@@H+](C)C1(Cc2ccccc2)CCCC1 ZINC001460736653 1063026781 /nfs/dbraw/zinc/02/67/81/1063026781.db2.gz JWNJSGOITYKRDQ-UHFFFAOYSA-N 1 0 308.263 4.382 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)CC1 ZINC001460760332 1063045435 /nfs/dbraw/zinc/04/54/35/1063045435.db2.gz LFIYBTATRCVHIO-ACBHZAAOSA-N 1 0 318.505 4.256 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC001460758039 1063045575 /nfs/dbraw/zinc/04/55/75/1063045575.db2.gz RTUYLHNYLKLSHC-UZLBHIALSA-N 1 0 306.409 4.020 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]C1CCC(C#N)CC1)c1ccncc1 ZINC001256955741 1063057353 /nfs/dbraw/zinc/05/73/53/1063057353.db2.gz XRLXLQHDITYOPG-OUNSHVDWSA-N 1 0 305.425 4.151 20 30 DIEDRO C=CCCCC[N@H+]1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001460793415 1063059925 /nfs/dbraw/zinc/05/99/25/1063059925.db2.gz HVKWJTZEYKEGKF-INIZCTEOSA-N 1 0 310.482 4.064 20 30 DIEDRO CC1(C)OC2(CC[NH+](C3CCC(C#N)CC3)CC2)c2ccccc21 ZINC001256969433 1063060389 /nfs/dbraw/zinc/06/03/89/1063060389.db2.gz IKNQUEHAJTZUSQ-UHFFFAOYSA-N 1 0 324.468 4.325 20 30 DIEDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C1CCC(C#N)CC1 ZINC001256965496 1063060758 /nfs/dbraw/zinc/06/07/58/1063060758.db2.gz UVHLIHRJGHXABA-ZOJXTTQQSA-N 1 0 312.457 4.304 20 30 DIEDRO N#CC1CCC([NH2+][C@H](c2cncc(C(F)(F)F)c2)C2CC2)CC1 ZINC001256962500 1063061549 /nfs/dbraw/zinc/06/15/49/1063061549.db2.gz NEJMKYSLGRSPQL-LNTUIOFPSA-N 1 0 323.362 4.223 20 30 DIEDRO N#CC1CCC([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001256964086 1063061970 /nfs/dbraw/zinc/06/19/70/1063061970.db2.gz UUOAPANPJRMTBS-UHFFFAOYSA-N 1 0 315.417 4.121 20 30 DIEDRO N#CC1CCC([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001256960274 1063062176 /nfs/dbraw/zinc/06/21/76/1063062176.db2.gz PQANOCYOLKLZSY-UHFFFAOYSA-N 1 0 318.848 4.018 20 30 DIEDRO COc1ccc(C[C@@H]2CCC[N@@H+](C3CCC(C#N)CC3)C2)cc1 ZINC001256973736 1063066044 /nfs/dbraw/zinc/06/60/44/1063066044.db2.gz WQXGAPYLQVTJRI-XBMUEBEBSA-N 1 0 312.457 4.032 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3CC[C@@H](F)CC3)CC2)cc1 ZINC001257007428 1063074019 /nfs/dbraw/zinc/07/40/19/1063074019.db2.gz ACCVCVUQGOIFIJ-GLJAMUPPSA-N 1 0 300.421 4.455 20 30 DIEDRO CCCCCCCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001472326815 1063074310 /nfs/dbraw/zinc/07/43/10/1063074310.db2.gz AUIIKCGTRJMNPP-ZWKOTPCHSA-N 1 0 308.510 4.068 20 30 DIEDRO Cc1cccnc1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257007449 1063074712 /nfs/dbraw/zinc/07/47/12/1063074712.db2.gz CLCFKZGUJNBHNS-UHFFFAOYSA-N 1 0 305.425 4.078 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]C[C@@H]3CC[C@@H](F)C3)CC2)cc1 ZINC001257010154 1063076819 /nfs/dbraw/zinc/07/68/19/1063076819.db2.gz TYPLBQVOXNTIEG-ZTRSQXPZSA-N 1 0 300.421 4.312 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3CCC(F)(F)C3)CC2)cc1 ZINC001257010145 1063076889 /nfs/dbraw/zinc/07/68/89/1063076889.db2.gz TUWCFIINCPLWIE-JCYILVPMSA-N 1 0 304.384 4.362 20 30 DIEDRO C[C@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1cscn1 ZINC001257010637 1063077151 /nfs/dbraw/zinc/07/71/51/1063077151.db2.gz DUMFKUYPGBRRIV-IGEOTXOUSA-N 1 0 311.454 4.392 20 30 DIEDRO C[N@H+](Cc1cccnc1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015252 1063079716 /nfs/dbraw/zinc/07/97/16/1063079716.db2.gz HESJJENPSZMNJO-UHFFFAOYSA-N 1 0 305.425 4.111 20 30 DIEDRO N#Cc1ccc(C2CCC([NH+]3CCC4(CCOC4)CC3)CC2)cc1 ZINC001257017239 1063080672 /nfs/dbraw/zinc/08/06/72/1063080672.db2.gz SFCITXCJVFDJDW-UHFFFAOYSA-N 1 0 324.468 4.087 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001257012504 1063081645 /nfs/dbraw/zinc/08/16/45/1063081645.db2.gz ILDTWEYRDSIRES-UHFFFAOYSA-N 1 0 314.432 4.356 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]Cc3ccc(O)cc3F)CC2)cc1 ZINC001257013475 1063081901 /nfs/dbraw/zinc/08/19/01/1063081901.db2.gz ICQQNWMWCMGPIQ-UHFFFAOYSA-N 1 0 324.399 4.219 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@]4(C3)CCCOC4)CC2)cc1 ZINC001257019170 1063083029 /nfs/dbraw/zinc/08/30/29/1063083029.db2.gz JTFHABIFHAQSKE-CBNMVNINSA-N 1 0 324.468 4.087 20 30 DIEDRO N#Cc1ccc(C2CCC(N3Cc4ncsc4C3)CC2)cc1 ZINC001257022156 1063083349 /nfs/dbraw/zinc/08/33/49/1063083349.db2.gz HKTNYUFRWMHXFQ-UHFFFAOYSA-N 1 0 309.438 4.057 20 30 DIEDRO C[N@H+](Cc1ccccc1O)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019166 1063083780 /nfs/dbraw/zinc/08/37/80/1063083780.db2.gz JRZRVUXWIYDUKV-UHFFFAOYSA-N 1 0 320.436 4.422 20 30 DIEDRO CC1(C#N)CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257019620 1063083875 /nfs/dbraw/zinc/08/38/75/1063083875.db2.gz ROVPQRUMJUZGOU-UHFFFAOYSA-N 1 0 307.441 4.210 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCc4ncccc4C3)CC2)cc1 ZINC001257020809 1063084116 /nfs/dbraw/zinc/08/41/16/1063084116.db2.gz JLANZRSTLGPIJG-UHFFFAOYSA-N 1 0 317.436 4.038 20 30 DIEDRO N#Cc1ccc(C2CCC([NH+]3CC(c4cccnc4)C3)CC2)cc1 ZINC001257019721 1063085201 /nfs/dbraw/zinc/08/52/01/1063085201.db2.gz VIWYEBXLCRWHTF-UHFFFAOYSA-N 1 0 317.436 4.079 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC4(C3)CCOCC4)CC2)cc1 ZINC001257020343 1063086537 /nfs/dbraw/zinc/08/65/37/1063086537.db2.gz CXZNDOAOXLSARJ-UHFFFAOYSA-N 1 0 324.468 4.087 20 30 DIEDRO C#CCC1([NH2+]CCc2ccccc2Br)CCCCC1 ZINC001460831262 1063088426 /nfs/dbraw/zinc/08/84/26/1063088426.db2.gz SBVKZNXEHPJCHM-UHFFFAOYSA-N 1 0 320.274 4.307 20 30 DIEDRO CCCCCCC[NH+]1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC001460862317 1063106393 /nfs/dbraw/zinc/10/63/93/1063106393.db2.gz UBXBUQYGCCTDEN-UHFFFAOYSA-N 1 0 323.399 4.164 20 30 DIEDRO C=C(Br)C[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC001460874328 1063111754 /nfs/dbraw/zinc/11/17/54/1063111754.db2.gz SXGCEWDGUZMVDT-CYBMUJFWSA-N 1 0 300.265 4.054 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001460878169 1063112101 /nfs/dbraw/zinc/11/21/01/1063112101.db2.gz FTPOVAYVRKXBPA-IRXDYDNUSA-N 1 0 324.509 4.216 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460878171 1063113416 /nfs/dbraw/zinc/11/34/16/1063113416.db2.gz FTPOVAYVRKXBPA-SJORKVTESA-N 1 0 324.509 4.216 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CCOc1ccccc1Br ZINC001460887438 1063117622 /nfs/dbraw/zinc/11/76/22/1063117622.db2.gz SPVXVEXJFGZKEB-CQSZACIVSA-N 1 0 324.262 4.259 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001257140704 1063123040 /nfs/dbraw/zinc/12/30/40/1063123040.db2.gz VTZCONAXUPCGOZ-CVEARBPZSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCCC[C@H](C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001478296774 1063133234 /nfs/dbraw/zinc/13/32/34/1063133234.db2.gz UZCNTQQZVGAURN-KRWDZBQOSA-N 1 0 323.525 4.075 20 30 DIEDRO C=CC[NH+](CC=C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001257195123 1063134462 /nfs/dbraw/zinc/13/44/62/1063134462.db2.gz GWUTXIJZWKVNJQ-DLBZAZTESA-N 1 0 322.493 4.085 20 30 DIEDRO C=CCCC[N@@H+](CCC)C1CCN(Cc2ccccc2)CC1 ZINC001460940375 1063147939 /nfs/dbraw/zinc/14/79/39/1063147939.db2.gz UZTQJXQKRBJZDV-UHFFFAOYSA-N 1 0 300.490 4.329 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460946176 1063150104 /nfs/dbraw/zinc/15/01/04/1063150104.db2.gz HVJCIQLBQHMZQG-UZLBHIALSA-N 1 0 306.409 4.083 20 30 DIEDRO CC(C)C[C@H](CNc1cccc(C#N)n1)[NH2+][C@@H](C)c1ccccc1 ZINC001472693302 1063155246 /nfs/dbraw/zinc/15/52/46/1063155246.db2.gz ZKUKTPUTRFCHOZ-QFBILLFUSA-N 1 0 322.456 4.131 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(c2ccccc2)CCC1 ZINC001461024886 1063197416 /nfs/dbraw/zinc/19/74/16/1063197416.db2.gz BYGNMVPIPBQGNJ-UHFFFAOYSA-N 1 0 304.437 4.387 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C(CCC)CCC)C2 ZINC001257336543 1063218713 /nfs/dbraw/zinc/21/87/13/1063218713.db2.gz BKZGLZQOICJVCI-RTBURBONSA-N 1 0 309.494 4.029 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001461121545 1063271905 /nfs/dbraw/zinc/27/19/05/1063271905.db2.gz OZEDHSXBSFLTHZ-IOASZLSFSA-N 1 0 313.363 4.073 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H](C)CC[C@@H](C)CCC)CC2 ZINC001257477710 1063295952 /nfs/dbraw/zinc/29/59/52/1063295952.db2.gz KXIZIQDXAZVHPP-ROUUACIJSA-N 1 0 320.521 4.234 20 30 DIEDRO CCCCC[C@H](C)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001257503011 1063315392 /nfs/dbraw/zinc/31/53/92/1063315392.db2.gz IUQZQSGZBMUZPY-SFHVURJKSA-N 1 0 313.489 4.103 20 30 DIEDRO CC(C)CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001461177880 1063315654 /nfs/dbraw/zinc/31/56/54/1063315654.db2.gz QRGYEJJHNGDWIE-FUHWJXTLSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H](C)CCCCC)CCO2 ZINC001257515175 1063322233 /nfs/dbraw/zinc/32/22/33/1063322233.db2.gz OIJWYYUOYFUEBC-CEXWTWQISA-N 1 0 309.494 4.029 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001257550118 1063332531 /nfs/dbraw/zinc/33/25/31/1063332531.db2.gz IZMZHAAFLGGCMA-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCCC[C@H](C)n1cc(C[NH3+])c(C)nc1=N ZINC001257550798 1063333013 /nfs/dbraw/zinc/33/30/13/1063333013.db2.gz VAZIHTNGGLNPCD-HNNXBMFYSA-N 1 0 306.498 4.221 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001257563504 1063336247 /nfs/dbraw/zinc/33/62/47/1063336247.db2.gz FYBDTMGPVPBZSZ-HIFRSBDPSA-N 1 0 321.262 4.006 20 30 DIEDRO CCc1ccccc1C[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC001461221482 1063344739 /nfs/dbraw/zinc/34/47/39/1063344739.db2.gz XYFZWNNBMKJXAS-IBGZPJMESA-N 1 0 308.425 4.220 20 30 DIEDRO CCc1ccc(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001461226756 1063350286 /nfs/dbraw/zinc/35/02/86/1063350286.db2.gz LRCHFZTVNURHLK-UHFFFAOYSA-N 1 0 304.437 4.136 20 30 DIEDRO N#CCC1([NH2+]C2CCC(OCc3ccccc3)CC2)CCCC1 ZINC001257828373 1063395872 /nfs/dbraw/zinc/39/58/72/1063395872.db2.gz AMCUGOMMOKEFES-UHFFFAOYSA-N 1 0 312.457 4.330 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](C2CCC(OCc3ccccc3)CC2)CC1 ZINC001257834805 1063402640 /nfs/dbraw/zinc/40/26/40/1063402640.db2.gz WDPXLKQILPNDSV-QHGAOEGBSA-N 1 0 312.457 4.140 20 30 DIEDRO Cc1ccc(CN(C)[C@H](C)c2cc(F)ccc2F)cc1C#N ZINC001473107667 1063406047 /nfs/dbraw/zinc/40/60/47/1063406047.db2.gz CFYLIFUAAIDYCY-CYBMUJFWSA-N 1 0 300.352 4.338 20 30 DIEDRO CC[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001473117589 1063418806 /nfs/dbraw/zinc/41/88/06/1063418806.db2.gz LZGNEZISNADGMD-FIKGOQFSSA-N 1 0 322.452 4.106 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CC(C)(C)OC1(C)C ZINC001473118589 1063423949 /nfs/dbraw/zinc/42/39/49/1063423949.db2.gz MWUUEZLISWUHKE-MRXNPFEDSA-N 1 0 305.437 4.407 20 30 DIEDRO C=C1C[C@@H]2CC(n3nc(-c4ccccc4)cc3C[NH3+])C[C@H](C1)C2 ZINC001257887259 1063424597 /nfs/dbraw/zinc/42/45/97/1063424597.db2.gz ZECQQIKHWWSZKN-BYICEURKSA-N 1 0 307.441 4.316 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccc(Br)cn3)C[C@H](C1)C2 ZINC001257887337 1063425739 /nfs/dbraw/zinc/42/57/39/1063425739.db2.gz QGUKTUBHPVYNLT-OCZCAGDBSA-N 1 0 321.262 4.069 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](CO)c3ccc(Cl)cc3)C[C@H](C1)C2 ZINC001257888555 1063428573 /nfs/dbraw/zinc/42/85/73/1063428573.db2.gz SQVDBSFNOONDNT-YWGCOLQPSA-N 1 0 305.849 4.098 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](C)c3ccc(NC(C)=O)cc3)C[C@H](C1)C2 ZINC001257889479 1063428952 /nfs/dbraw/zinc/42/89/52/1063428952.db2.gz BCRZQTWMTSAVJT-BCVNXQCYSA-N 1 0 312.457 4.431 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(C)Cc2ccccc2C1 ZINC001461350003 1063434349 /nfs/dbraw/zinc/43/43/49/1063434349.db2.gz IPNXWYFOZFQVJY-UHFFFAOYSA-N 1 0 304.437 4.070 20 30 DIEDRO N#CCC[N@H+](C1CCC2(COC2)CC1)C1CCCCCCC1 ZINC001257908885 1063436839 /nfs/dbraw/zinc/43/68/39/1063436839.db2.gz BUBOIDFLERNVBT-UHFFFAOYSA-N 1 0 304.478 4.274 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](OC)C1CCCCC1 ZINC001473136224 1063443172 /nfs/dbraw/zinc/44/31/72/1063443172.db2.gz BSLDPKQINRKEOS-HXUWFJFHSA-N 1 0 301.474 4.312 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC001257994763 1063455503 /nfs/dbraw/zinc/45/55/03/1063455503.db2.gz UNZDAOGVHHDMEJ-UHFFFAOYSA-N 1 0 320.436 4.253 20 30 DIEDRO C=C(Br)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC001473151726 1063457158 /nfs/dbraw/zinc/45/71/58/1063457158.db2.gz SFYRPVDSKGOOTK-UHFFFAOYSA-N 1 0 308.263 4.382 20 30 DIEDRO C=CC[N@@H+](Cc1cnc(OC)c(Cl)c1)CC1CCCCC1 ZINC001473162032 1063465674 /nfs/dbraw/zinc/46/56/74/1063465674.db2.gz BFAIAJVPKVFEFG-UHFFFAOYSA-N 1 0 308.853 4.312 20 30 DIEDRO C#CCCCCCC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC001473162017 1063466571 /nfs/dbraw/zinc/46/65/71/1063466571.db2.gz GKIYGDYDYXFGKA-UHFFFAOYSA-N 1 0 313.485 4.499 20 30 DIEDRO C=CC[N@@H+](C[C@H](O)[C@@H](C)c1ccccc1)CC1CCCCC1 ZINC001473164593 1063468713 /nfs/dbraw/zinc/46/87/13/1063468713.db2.gz XXYAGKZOTONVPG-PXNSSMCTSA-N 1 0 301.474 4.219 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1(c2cccnc2)CCOCC1 ZINC001258043109 1063474364 /nfs/dbraw/zinc/47/43/64/1063474364.db2.gz IWUOVEFOXFQPPA-GOSISDBHSA-N 1 0 318.505 4.468 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1(c2ccncc2)CCOCC1 ZINC001258043411 1063475023 /nfs/dbraw/zinc/47/50/23/1063475023.db2.gz OVXNZXZROZNXMT-GOSISDBHSA-N 1 0 318.505 4.468 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](CC(=O)OC)c1ccc(O)cc1 ZINC001258041482 1063475130 /nfs/dbraw/zinc/47/51/30/1063475130.db2.gz UMHQYGMQEWKYLC-MAUKXSAKSA-N 1 0 321.461 4.335 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1(c2ccc(OC)cn2)CC1 ZINC001258042468 1063475894 /nfs/dbraw/zinc/47/58/94/1063475894.db2.gz AWIKCHMUERJSOW-MRXNPFEDSA-N 1 0 304.478 4.460 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(N)(c2cccnc2)CC1 ZINC001258041359 1063476018 /nfs/dbraw/zinc/47/60/18/1063476018.db2.gz RZAFGPSDJPOJCL-KRWDZBQOSA-N 1 0 303.494 4.080 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001258043455 1063477644 /nfs/dbraw/zinc/47/76/44/1063477644.db2.gz CIKMWLRBDNAZBJ-WMZOPIPTSA-N 1 0 321.509 4.198 20 30 DIEDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1(C)C ZINC001461405296 1063477667 /nfs/dbraw/zinc/47/76/67/1063477667.db2.gz BPZLOMLVVJIWMP-MSOLQXFVSA-N 1 0 314.473 4.169 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC001258047905 1063480771 /nfs/dbraw/zinc/48/07/71/1063480771.db2.gz ONASEOMNMPFECG-QGZVFWFLSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CCN(CC)C2=O)CC1 ZINC001258049306 1063481097 /nfs/dbraw/zinc/48/10/97/1063481097.db2.gz DPLBWCKDJFBECO-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001258050927 1063481454 /nfs/dbraw/zinc/48/14/54/1063481454.db2.gz ZPWPBDSOSWBAHJ-HNNXBMFYSA-N 1 0 301.478 4.461 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001258049294 1063482483 /nfs/dbraw/zinc/48/24/83/1063482483.db2.gz DKKIMBCGMDQWNF-QGZVFWFLSA-N 1 0 310.526 4.314 20 30 DIEDRO CCCCCCC[C@@H](C)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001258049310 1063482619 /nfs/dbraw/zinc/48/26/19/1063482619.db2.gz DTGRMHGYKJTJJR-QGZVFWFLSA-N 1 0 303.494 4.389 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC001258049971 1063482676 /nfs/dbraw/zinc/48/26/76/1063482676.db2.gz QQQDBALPBAPEEF-QGZVFWFLSA-N 1 0 320.477 4.177 20 30 DIEDRO CCCCCCC[C@@H](C)N(c1ccnc(C)n1)C1CC[NH2+]CC1 ZINC001258051608 1063485047 /nfs/dbraw/zinc/48/50/47/1063485047.db2.gz GNSVUZQZQMHZKA-MRXNPFEDSA-N 1 0 318.509 4.092 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(Oc2ccncn2)CC1 ZINC001258051336 1063485146 /nfs/dbraw/zinc/48/51/46/1063485146.db2.gz FWSDZGQGKIFYQJ-MRXNPFEDSA-N 1 0 305.466 4.069 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]C[C@H]1CCC(=O)NC1 ZINC001258052268 1063485320 /nfs/dbraw/zinc/48/53/20/1063485320.db2.gz NNMFQONOFLNJCP-ZWKOTPCHSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC001258052799 1063485773 /nfs/dbraw/zinc/48/57/73/1063485773.db2.gz SIMNZAQRYVLLKS-ROUUACIJSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001258051846 1063485983 /nfs/dbraw/zinc/48/59/83/1063485983.db2.gz KGHUWXIUMATKCY-OAHLLOKOSA-N 1 0 301.478 4.461 20 30 DIEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258062404 1063491015 /nfs/dbraw/zinc/49/10/15/1063491015.db2.gz PSKONMOIAMWBRY-SJORKVTESA-N 1 0 324.509 4.071 20 30 DIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)ccn2)c1C ZINC001473187445 1063495598 /nfs/dbraw/zinc/49/55/98/1063495598.db2.gz PXAXCTOKINESHQ-FQEVSTJZSA-N 1 0 305.425 4.297 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC001461439731 1063505636 /nfs/dbraw/zinc/50/56/36/1063505636.db2.gz QLMKTPNDJRTDAN-IUODEOHRSA-N 1 0 321.262 4.379 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001461437716 1063505520 /nfs/dbraw/zinc/50/55/20/1063505520.db2.gz TWJHTWVKHZSPKD-SFTDATJTSA-N 1 0 319.448 4.200 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001461437715 1063506344 /nfs/dbraw/zinc/50/63/44/1063506344.db2.gz TWJHTWVKHZSPKD-RTWAWAEBSA-N 1 0 319.448 4.200 20 30 DIEDRO C=C[C@@H](COC)[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001461448654 1063513009 /nfs/dbraw/zinc/51/30/09/1063513009.db2.gz RYYOPRKVTNCHOY-SFHVURJKSA-N 1 0 301.817 4.298 20 30 DIEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001461454084 1063516289 /nfs/dbraw/zinc/51/62/89/1063516289.db2.gz WERDLMJMTVAZFV-INIZCTEOSA-N 1 0 319.351 4.048 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)cs1 ZINC001461486226 1063532176 /nfs/dbraw/zinc/53/21/76/1063532176.db2.gz QNLDDVSQHNBBHL-ZBFHGGJFSA-N 1 0 300.402 4.185 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC001258160660 1063539487 /nfs/dbraw/zinc/53/94/87/1063539487.db2.gz NXHGHIGGIZECAM-JYAVWHMHSA-N 1 0 310.363 4.491 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCC2(C)C)cc(OC)c1O ZINC001461531782 1063561396 /nfs/dbraw/zinc/56/13/96/1063561396.db2.gz MBQVJQVVRKYOGE-INIZCTEOSA-N 1 0 303.446 4.045 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]C1CCN(C(=O)OC)CC1 ZINC001258230665 1063567446 /nfs/dbraw/zinc/56/74/46/1063567446.db2.gz ADXGXRBOURYMCM-MRXNPFEDSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001258227872 1063568975 /nfs/dbraw/zinc/56/89/75/1063568975.db2.gz BLBIYVFOKQSERX-JKSUJKDBSA-N 1 0 305.453 4.465 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC(N2CCOC2=O)CC1 ZINC001258232261 1063570984 /nfs/dbraw/zinc/57/09/84/1063570984.db2.gz HIBUFJHOOOYVIC-KRWDZBQOSA-N 1 0 324.509 4.432 20 30 DIEDRO CCCCCCCCC[C@@H](C)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001258230868 1063571119 /nfs/dbraw/zinc/57/11/19/1063571119.db2.gz CYSYFRSIBLPTFQ-OAHLLOKOSA-N 1 0 317.477 4.020 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC(n2cnnc2)CC1 ZINC001258232469 1063571433 /nfs/dbraw/zinc/57/14/33/1063571433.db2.gz REQMBTDLIFSNOR-QGZVFWFLSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC001258232240 1063572002 /nfs/dbraw/zinc/57/20/02/1063572002.db2.gz GAUQGAFMGSQWLA-GOSISDBHSA-N 1 0 311.510 4.397 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCCCCCC1)C2 ZINC001258237812 1063575949 /nfs/dbraw/zinc/57/59/49/1063575949.db2.gz QBJDEICHMRAYCK-HXUWFJFHSA-N 1 0 318.505 4.132 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCCCCCC1)C2 ZINC001258240877 1063579336 /nfs/dbraw/zinc/57/93/36/1063579336.db2.gz UPBVPVRJKLFQGM-UXHICEINSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001461580122 1063590500 /nfs/dbraw/zinc/59/05/00/1063590500.db2.gz JYKRCJCNIJTQCN-SFHVURJKSA-N 1 0 310.397 4.180 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCCC(C)(C)C2)cc1 ZINC001461586120 1063595342 /nfs/dbraw/zinc/59/53/42/1063595342.db2.gz ZVKHKONZUGKEHW-GOSISDBHSA-N 1 0 313.489 4.342 20 30 DIEDRO C[C@@H](CC(C)(C)SCc1ccco1)[NH+]1CCC(S)CC1 ZINC001258314424 1063605249 /nfs/dbraw/zinc/60/52/49/1063605249.db2.gz TZIMIYDFDMCERO-ZDUSSCGKSA-N 1 0 313.532 4.464 20 30 DIEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258314301 1063605464 /nfs/dbraw/zinc/60/54/64/1063605464.db2.gz RXRADNDYQZNPMO-HOTGVXAUSA-N 1 0 305.487 4.415 20 30 DIEDRO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001258315086 1063606792 /nfs/dbraw/zinc/60/67/92/1063606792.db2.gz ATHOHZGCBDRKFC-YOEHRIQHSA-N 1 0 306.475 4.306 20 30 DIEDRO CSC(C)(C)C[C@@H](C)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001258328942 1063613395 /nfs/dbraw/zinc/61/33/95/1063613395.db2.gz DHIVTPKVHWYHIE-GFCCVEGCSA-N 1 0 316.470 4.171 20 30 DIEDRO CSC(C)(C)C[C@@H](C)n1cc(CC[NH3+])c2cc(C#N)ccc21 ZINC001258334594 1063617274 /nfs/dbraw/zinc/61/72/74/1063617274.db2.gz VDWNKKRZPNAMCR-CYBMUJFWSA-N 1 0 315.486 4.107 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(COCCOC)cc1 ZINC001461635135 1063626310 /nfs/dbraw/zinc/62/63/10/1063626310.db2.gz WACFOAQKZYRIFZ-WOJBJXKFSA-N 1 0 317.473 4.074 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC001461635227 1063627794 /nfs/dbraw/zinc/62/77/94/1063627794.db2.gz WZYADAZCEMSGKZ-NVXWUHKLSA-N 1 0 301.430 4.072 20 30 DIEDRO COc1ccc(CC[C@@H](C)[N@H+](CCC#N)C2CCCC2)cc1 ZINC001258403184 1063639679 /nfs/dbraw/zinc/63/96/79/1063639679.db2.gz IALZLBAXGYRLRG-MRXNPFEDSA-N 1 0 300.446 4.175 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC001461657430 1063640904 /nfs/dbraw/zinc/64/09/04/1063640904.db2.gz PRQMRBKZEHKMQM-UHFFFAOYSA-N 1 0 311.473 4.240 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC001461655327 1063640940 /nfs/dbraw/zinc/64/09/40/1063640940.db2.gz KIMSCWMIIMZVMU-UHFFFAOYSA-N 1 0 301.352 4.320 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cc(C)ccc1C ZINC001461696969 1063664066 /nfs/dbraw/zinc/66/40/66/1063664066.db2.gz WNLKCHWDYMKIJG-LJQANCHMSA-N 1 0 308.425 4.425 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258564395 1063694100 /nfs/dbraw/zinc/69/41/00/1063694100.db2.gz IQTYDRUKSXNJEC-INIZCTEOSA-N 1 0 324.509 4.453 20 30 DIEDRO CSc1ccc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC001461772986 1063708226 /nfs/dbraw/zinc/70/82/26/1063708226.db2.gz AFLSGSGTJREAHP-UHFFFAOYSA-N 1 0 310.466 4.391 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H](CCC)CCCCC)C2)C1=O ZINC001258670137 1063738537 /nfs/dbraw/zinc/73/85/37/1063738537.db2.gz YEHAROAMFLFIBW-QUCCMNQESA-N 1 0 320.521 4.236 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@]3(CCOC3)Oc3ccccc32)C1 ZINC001461835429 1063742502 /nfs/dbraw/zinc/74/25/02/1063742502.db2.gz HYLUEGZBOSWEAT-JMVFIXPQSA-N 1 0 313.441 4.004 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCc2ccccc21 ZINC001461870411 1063760882 /nfs/dbraw/zinc/76/08/82/1063760882.db2.gz HHLAECGFUVYAGD-LJQANCHMSA-N 1 0 307.437 4.413 20 30 DIEDRO CCCC[C@H](Cc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001258705799 1063764632 /nfs/dbraw/zinc/76/46/32/1063764632.db2.gz LFZRHTAALZVTSL-OAQYLSRUSA-N 1 0 306.453 4.492 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001461875141 1063767704 /nfs/dbraw/zinc/76/77/04/1063767704.db2.gz PAFRACXTCQHFKL-FQEVSTJZSA-N 1 0 323.415 4.100 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+][C@@H](CO)c1ccccn1 ZINC001258713556 1063770139 /nfs/dbraw/zinc/77/01/39/1063770139.db2.gz APLGQARSFMSNNT-MJGOQNOKSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC001461878975 1063770598 /nfs/dbraw/zinc/77/05/98/1063770598.db2.gz BWBGDMGUCDOVKB-QZTJIDSGSA-N 1 0 318.436 4.113 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H](CO)c1ccncc1 ZINC001258713626 1063770972 /nfs/dbraw/zinc/77/09/72/1063770972.db2.gz BVNZQUNRGCTXFR-OALUTQOASA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H](CO)c1ccccn1 ZINC001258713554 1063770989 /nfs/dbraw/zinc/77/09/89/1063770989.db2.gz APLGQARSFMSNNT-HKUYNNGSSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCN(C(C)=O)C1 ZINC001258714650 1063771690 /nfs/dbraw/zinc/77/16/90/1063771690.db2.gz SJBLVBGWDBEWDS-OALUTQOASA-N 1 0 310.526 4.220 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001258716666 1063773169 /nfs/dbraw/zinc/77/31/69/1063773169.db2.gz CZFRHMDUKKPNAY-LPHOPBHVSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCC[C@H](C)n1cc(CC[NH3+])c2ccc(Br)cc21 ZINC001258718011 1063774209 /nfs/dbraw/zinc/77/42/09/1063774209.db2.gz CAPYYWPEKBYIDC-LBPRGKRZSA-N 1 0 321.262 4.432 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC001258719315 1063774376 /nfs/dbraw/zinc/77/43/76/1063774376.db2.gz AIGJCDWRAULWGQ-QZTJIDSGSA-N 1 0 309.453 4.255 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC001258719310 1063775186 /nfs/dbraw/zinc/77/51/86/1063775186.db2.gz ADWNGRFEHQFFRG-NSHDSACASA-N 1 0 311.351 4.036 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001258720800 1063775359 /nfs/dbraw/zinc/77/53/59/1063775359.db2.gz GEKZRIPIAKVQRA-GOEBONIOSA-N 1 0 316.445 4.427 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C[C@@H](C)COC)C(C)(C)C)cc1 ZINC001461886093 1063775393 /nfs/dbraw/zinc/77/53/93/1063775393.db2.gz ANMKKAJJIVYOKK-MRXNPFEDSA-N 1 0 305.462 4.134 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2cccc(Cl)c2)CC1 ZINC001258723026 1063776465 /nfs/dbraw/zinc/77/64/65/1063776465.db2.gz QHEFGGABLWRKLS-HNNXBMFYSA-N 1 0 306.881 4.249 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC001258722044 1063776588 /nfs/dbraw/zinc/77/65/88/1063776588.db2.gz BEYRFIBDCWAJNI-AWEZNQCLSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cncn1Cc1ccccc1Cl ZINC001258723788 1063776964 /nfs/dbraw/zinc/77/69/64/1063776964.db2.gz DWONYSKSANVQDG-CQSZACIVSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CC[N@@H+](CC(CC)(CC)CNC(=O)OC(C)(C)C)C(C)C ZINC001461888503 1063777118 /nfs/dbraw/zinc/77/71/18/1063777118.db2.gz MRAQEYUSSFFUGT-UHFFFAOYSA-N 1 0 312.498 4.214 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(OCC(F)(F)F)cc1 ZINC001258721016 1063777106 /nfs/dbraw/zinc/77/71/06/1063777106.db2.gz KWTJJEBDBQLCEL-CYBMUJFWSA-N 1 0 301.352 4.115 20 30 DIEDRO C=CCC[C@H](C)n1cc(C[NH3+])c2cc(Br)ccc21 ZINC001258721460 1063777170 /nfs/dbraw/zinc/77/71/70/1063777170.db2.gz WCAKBHMRGRNTNZ-NSHDSACASA-N 1 0 307.235 4.390 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCc1c(-c2ccccc2)nc2ccccn21 ZINC001258726641 1063778365 /nfs/dbraw/zinc/77/83/65/1063778365.db2.gz XHHJCIALLWWTDX-KRWDZBQOSA-N 1 0 319.452 4.488 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726883 1063778820 /nfs/dbraw/zinc/77/88/20/1063778820.db2.gz YDCLXBHGTAFZPV-QFBILLFUSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726881 1063779626 /nfs/dbraw/zinc/77/96/26/1063779626.db2.gz YDCLXBHGTAFZPV-APWZRJJASA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258725665 1063779849 /nfs/dbraw/zinc/77/98/49/1063779849.db2.gz ATEXOJUFQBFWFT-INIZCTEOSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1(CC)CCN(C(=O)OC(C)(C)C)CC1 ZINC001258723809 1063779869 /nfs/dbraw/zinc/77/98/69/1063779869.db2.gz FOBKUDRMTYPEDT-HNNXBMFYSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001258732100 1063780865 /nfs/dbraw/zinc/78/08/65/1063780865.db2.gz JBPBQQBIVKPHSN-AWEZNQCLSA-N 1 0 318.848 4.410 20 30 DIEDRO C=CCC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734191 1063783175 /nfs/dbraw/zinc/78/31/75/1063783175.db2.gz UVINRVLGFYPBKC-JKSUJKDBSA-N 1 0 310.482 4.061 20 30 DIEDRO C=CCC[C@H](C)[N@H+](C)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001258734435 1063783949 /nfs/dbraw/zinc/78/39/49/1063783949.db2.gz XUBZZPBCSUREGM-XHSDSOJGSA-N 1 0 310.482 4.109 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC2(CC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001258735783 1063783994 /nfs/dbraw/zinc/78/39/94/1063783994.db2.gz BSZMFPVJTRQJLT-JKSUJKDBSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@H](C)[N@H+](CCC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258735731 1063784408 /nfs/dbraw/zinc/78/44/08/1063784408.db2.gz AGFNDMPKAGWLPK-IRXDYDNUSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(C(=O)c2cnc3ccccc3c2)CC1 ZINC001258735901 1063784681 /nfs/dbraw/zinc/78/46/81/1063784681.db2.gz FNPZICZQMCEBQQ-INIZCTEOSA-N 1 0 322.452 4.484 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(N(C)Cc2cccc(F)c2)CC1 ZINC001258734297 1063784940 /nfs/dbraw/zinc/78/49/40/1063784940.db2.gz WFOOJAFTBXBLRM-MRXNPFEDSA-N 1 0 304.453 4.077 20 30 DIEDRO C=C1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC001461899650 1063786920 /nfs/dbraw/zinc/78/69/20/1063786920.db2.gz IKSIRAMOSCNKTE-UHFFFAOYSA-N 1 0 318.464 4.401 20 30 DIEDRO C[C@H](Cc1cccc(Cl)c1)[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001258739677 1063789520 /nfs/dbraw/zinc/78/95/20/1063789520.db2.gz HECORMGWYCLXEQ-RWBZWWBESA-N 1 0 302.849 4.477 20 30 DIEDRO C[C@H](Cc1cccc(Cl)c1)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001258742806 1063792316 /nfs/dbraw/zinc/79/23/16/1063792316.db2.gz ULHIFCDQBBRVJH-CYBMUJFWSA-N 1 0 323.827 4.225 20 30 DIEDRO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001258743295 1063792574 /nfs/dbraw/zinc/79/25/74/1063792574.db2.gz ZWTHZIBBODZKRG-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001258745291 1063794197 /nfs/dbraw/zinc/79/41/97/1063794197.db2.gz LGRKWDAFZRETLO-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO C#CC[N@@H+](C/C(C)=C/c1ccccc1OC(F)F)CC1CC1 ZINC001461926023 1063809275 /nfs/dbraw/zinc/80/92/75/1063809275.db2.gz KEWXXKNGLVKJHV-SDNWHVSQSA-N 1 0 305.368 4.037 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)ccc1C#N ZINC001461933407 1063819477 /nfs/dbraw/zinc/81/94/77/1063819477.db2.gz AJPZFWKDAMXQBL-NRFANRHFSA-N 1 0 320.436 4.121 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H](CC)C[C@@H](C)CC)CCC2 ZINC001258791001 1063829928 /nfs/dbraw/zinc/82/99/28/1063829928.db2.gz OZZALJIUGHOWNO-IRXDYDNUSA-N 1 0 319.493 4.006 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](CC)C[C@H](C)CC)CC2 ZINC001258793244 1063831305 /nfs/dbraw/zinc/83/13/05/1063831305.db2.gz MFAGJSOLYQUFCJ-HBFSDRIKSA-N 1 0 320.521 4.234 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC001461961909 1063840830 /nfs/dbraw/zinc/84/08/30/1063840830.db2.gz FZONPFPKLJUDDQ-HXUWFJFHSA-N 1 0 320.436 4.466 20 30 DIEDRO C=CCOC(=O)N1CCC(C[NH2+]C(CC(C)C)CC(C)C)CC1 ZINC001258833184 1063856586 /nfs/dbraw/zinc/85/65/86/1063856586.db2.gz YLYXILPFBPNUBV-UHFFFAOYSA-N 1 0 324.509 4.071 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(N(C)CC)nc1)CC1CCCCC1 ZINC001461988617 1063861195 /nfs/dbraw/zinc/86/11/95/1063861195.db2.gz MUQMZFQLNWSXDE-UHFFFAOYSA-N 1 0 301.478 4.106 20 30 DIEDRO CCCCCCCCCCC[C@@H](CC)[NH2+]C[C@H]1CNC(=O)C1 ZINC001258875427 1063866172 /nfs/dbraw/zinc/86/61/72/1063866172.db2.gz CIAWDDAOEXVGFP-ZWKOTPCHSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCCCCCC[C@H](CC)[NH2+]C[C@H]1CNC(=O)C1 ZINC001258875425 1063866363 /nfs/dbraw/zinc/86/63/63/1063866363.db2.gz CIAWDDAOEXVGFP-ROUUACIJSA-N 1 0 310.526 4.412 20 30 DIEDRO COCCCC1(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC001461998815 1063869534 /nfs/dbraw/zinc/86/95/34/1063869534.db2.gz JBHNOWXOUNIRCC-UHFFFAOYSA-N 1 0 312.457 4.120 20 30 DIEDRO N#Cc1cccc(N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC001462027328 1063888185 /nfs/dbraw/zinc/88/81/85/1063888185.db2.gz IIVJCVUSMQYYIX-CTNGQTDRSA-N 1 0 317.436 4.338 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000487861658 1063906793 /nfs/dbraw/zinc/90/67/93/1063906793.db2.gz QICVKGXJFPBDLP-LJQANCHMSA-N 1 0 312.457 4.181 20 30 DIEDRO C=CCSCC[NH2+]CCCc1c(Cl)cccc1Cl ZINC001462071389 1063914357 /nfs/dbraw/zinc/91/43/57/1063914357.db2.gz PAYTZPMCRYKHNG-UHFFFAOYSA-N 1 0 304.286 4.435 20 30 DIEDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001462080179 1063918764 /nfs/dbraw/zinc/91/87/64/1063918764.db2.gz GOHSFBYCNPTWOQ-FOIQADDNSA-N 1 0 320.436 4.443 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1cc(C)ccc1C ZINC001261790248 1063946198 /nfs/dbraw/zinc/94/61/98/1063946198.db2.gz FNRXLLJHSCBPHK-HXUWFJFHSA-N 1 0 308.425 4.447 20 30 DIEDRO C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001279271967 1064340215 /nfs/dbraw/zinc/34/02/15/1064340215.db2.gz KGAMBKCLBDRXFF-HXUWFJFHSA-N 1 0 315.505 4.049 20 30 DIEDRO CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1ccccc1C#N ZINC001279745443 1064366478 /nfs/dbraw/zinc/36/64/78/1064366478.db2.gz GRJWEQQWJQGCKM-YTQUADARSA-N 1 0 311.473 4.038 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC(C)(C)C ZINC001279832912 1064368170 /nfs/dbraw/zinc/36/81/70/1064368170.db2.gz YNVXPEBGKZNMHP-VSZNYVQBSA-N 1 0 320.521 4.042 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(CC[C@H](C(=O)N(C)C)C2)CC1 ZINC001279831728 1064368436 /nfs/dbraw/zinc/36/84/36/1064368436.db2.gz NFXSJIUKAWATSZ-SFHVURJKSA-N 1 0 320.521 4.093 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)N(C)C)C1 ZINC001279834047 1064369013 /nfs/dbraw/zinc/36/90/13/1064369013.db2.gz DLBAMUNNOKCCMU-ICSRJNTNSA-N 1 0 320.521 4.093 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N(C)C)C1 ZINC001279834049 1064369202 /nfs/dbraw/zinc/36/92/02/1064369202.db2.gz DLBAMUNNOKCCMU-QUCCMNQESA-N 1 0 320.521 4.093 20 30 DIEDRO CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC#N ZINC001280185592 1064383686 /nfs/dbraw/zinc/38/36/86/1064383686.db2.gz NCKNRVLTWBGQIW-QRVBRYPASA-N 1 0 305.510 4.045 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001293854734 1064834859 /nfs/dbraw/zinc/83/48/59/1064834859.db2.gz HTPUXODKAGZXLG-CZHSIMOFSA-N 1 0 322.537 4.482 20 30 DIEDRO CCCCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001295095468 1064900897 /nfs/dbraw/zinc/90/08/97/1064900897.db2.gz RSKLGDSSKSLPCP-MJGOQNOKSA-N 1 0 320.452 4.048 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC001295758845 1064926278 /nfs/dbraw/zinc/92/62/78/1064926278.db2.gz YENFTYAWUTVOOO-ROUUACIJSA-N 1 0 310.526 4.458 20 30 DIEDRO C=CCCCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001298803324 1065022541 /nfs/dbraw/zinc/02/25/41/1065022541.db2.gz NOACTQZTFOCMDP-OTWHNJEPSA-N 1 0 320.521 4.140 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001303988336 1065126498 /nfs/dbraw/zinc/12/64/98/1065126498.db2.gz HQGIXGRHDSTILZ-NJWFCXLTSA-N 1 0 308.510 4.140 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)cc1 ZINC000751504420 1065195262 /nfs/dbraw/zinc/19/52/62/1065195262.db2.gz IWXJBCQQEDYFIU-MRXNPFEDSA-N 1 0 311.400 4.387 20 30 DIEDRO CC[N@H+](CCCNc1cccc(F)c1C#N)C1CCCCC1 ZINC001307158813 1065288985 /nfs/dbraw/zinc/28/89/85/1065288985.db2.gz INNQVZABIMIXBI-UHFFFAOYSA-N 1 0 303.425 4.154 20 30 DIEDRO N#Cc1cccc(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001307360156 1065354797 /nfs/dbraw/zinc/35/47/97/1065354797.db2.gz FJWTUSPHPLJGSD-FQEVSTJZSA-N 1 0 322.477 4.456 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](OC)C1CCCCC1 ZINC001307414985 1065378377 /nfs/dbraw/zinc/37/83/77/1065378377.db2.gz RSFDMPFHXHYJRH-HXUWFJFHSA-N 1 0 314.473 4.366 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](OC)c1ccccc1 ZINC001307424235 1065383051 /nfs/dbraw/zinc/38/30/51/1065383051.db2.gz SPSFOOAUHXVJPX-HXUWFJFHSA-N 1 0 311.425 4.071 20 30 DIEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC001307421673 1065383705 /nfs/dbraw/zinc/38/37/05/1065383705.db2.gz IYLIYWWPMXSCGY-QGZVFWFLSA-N 1 0 313.401 4.011 20 30 DIEDRO CC[N@H+](CCSC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC001307425514 1065386572 /nfs/dbraw/zinc/38/65/72/1065386572.db2.gz HQWWZUDEOLPWTP-NSHDSACASA-N 1 0 302.365 4.194 20 30 DIEDRO CC(C)[N@H+](Cc1cccc(Br)c1)CC1(CC#N)CC1 ZINC001307431188 1065390749 /nfs/dbraw/zinc/39/07/49/1065390749.db2.gz FVKAVJYQJGQQGC-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO CC(C)[N@H+](CCSC(F)(F)F)Cc1ccc(C#N)cc1 ZINC001307438962 1065399361 /nfs/dbraw/zinc/39/93/61/1065399361.db2.gz QQMANMBOEOTGNZ-UHFFFAOYSA-N 1 0 302.365 4.022 20 30 DIEDRO CCC[N@H+](Cc1ccccc1Br)[C@@H]1CC[C@H](C#N)C1 ZINC001307438520 1065400242 /nfs/dbraw/zinc/40/02/42/1065400242.db2.gz UTECRWNQRYMJBX-DZGCQCFKSA-N 1 0 321.262 4.353 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](CC)CCOc1ccccc1C#N ZINC001307440313 1065401678 /nfs/dbraw/zinc/40/16/78/1065401678.db2.gz MFRRQUBIJNPDAB-LJQANCHMSA-N 1 0 308.425 4.410 20 30 DIEDRO CC(C)(C)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001307444023 1065403809 /nfs/dbraw/zinc/40/38/09/1065403809.db2.gz KJTUGVCECDEOEW-UHFFFAOYSA-N 1 0 304.437 4.414 20 30 DIEDRO C=CCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC001307452077 1065409294 /nfs/dbraw/zinc/40/92/94/1065409294.db2.gz HRYWMQMKHWHGRQ-UHFFFAOYSA-N 1 0 301.430 4.372 20 30 DIEDRO COc1ccc(C[N@H+](C)CC#Cc2cccc(Cl)c2)cc1C ZINC001307455806 1065410170 /nfs/dbraw/zinc/41/01/70/1065410170.db2.gz MWVGJFIRACKMML-UHFFFAOYSA-N 1 0 313.828 4.141 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC001307463195 1065415584 /nfs/dbraw/zinc/41/55/84/1065415584.db2.gz KMFKYAARSBIEFI-OAHLLOKOSA-N 1 0 309.400 4.037 20 30 DIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC001307467157 1065417341 /nfs/dbraw/zinc/41/73/41/1065417341.db2.gz LYHGDAKSTDOBBC-FQEVSTJZSA-N 1 0 308.425 4.266 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC1CCCCC1 ZINC001307469366 1065419901 /nfs/dbraw/zinc/41/99/01/1065419901.db2.gz BBABTCSQADBIKL-UHFFFAOYSA-N 1 0 302.418 4.472 20 30 DIEDRO N#CC1CCC(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC001307477328 1065422928 /nfs/dbraw/zinc/42/29/28/1065422928.db2.gz DARBUBAVGQWZQP-DAWZGUTISA-N 1 0 300.421 4.020 20 30 DIEDRO CCC[N@H+](CCCCC1(C#N)CCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001307486280 1065429657 /nfs/dbraw/zinc/42/96/57/1065429657.db2.gz DTZIZRFHUCRBFL-KSZLIROESA-N 1 0 318.505 4.376 20 30 DIEDRO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2Cc2cc(C#N)ccn2)cc1 ZINC001307487415 1065431989 /nfs/dbraw/zinc/43/19/89/1065431989.db2.gz BNTOGUALFYLBGR-OXJNMPFZSA-N 1 0 305.425 4.235 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001307490684 1065435334 /nfs/dbraw/zinc/43/53/34/1065435334.db2.gz PRUVGRAPLGROJV-YJBOKZPZSA-N 1 0 308.400 4.384 20 30 DIEDRO CC[C@@]1(C)CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001307494302 1065437739 /nfs/dbraw/zinc/43/77/39/1065437739.db2.gz SFDCHSCBJCRSHG-INIZCTEOSA-N 1 0 321.262 4.333 20 30 DIEDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCOc2cccc(C#N)c2)o1 ZINC001307497190 1065441984 /nfs/dbraw/zinc/44/19/84/1065441984.db2.gz RANXCDQNLZIVNZ-KXBFYZLASA-N 1 0 324.424 4.312 20 30 DIEDRO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC001307515092 1065455656 /nfs/dbraw/zinc/45/56/56/1065455656.db2.gz XBKBGIHUXBSLOT-OXQOHEQNSA-N 1 0 306.409 4.020 20 30 DIEDRO N#CCC1(CN2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC001307515064 1065455763 /nfs/dbraw/zinc/45/57/63/1065455763.db2.gz ZMZAMIUOEPCNGO-OAHLLOKOSA-N 1 0 319.246 4.280 20 30 DIEDRO C[C@]1(CCc2ccccc2)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001307517703 1065457102 /nfs/dbraw/zinc/45/71/02/1065457102.db2.gz DEAMBIWUDBEFTD-NRFANRHFSA-N 1 0 304.437 4.403 20 30 DIEDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001307526082 1065464989 /nfs/dbraw/zinc/46/49/89/1065464989.db2.gz GDRUYNQVQXFJPH-HXUWFJFHSA-N 1 0 308.400 4.453 20 30 DIEDRO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2c(C)cc(C#N)cc2C)cc1 ZINC001307525240 1065465348 /nfs/dbraw/zinc/46/53/48/1065465348.db2.gz CLYUPHCUCMBOQH-IBGZPJMESA-N 1 0 320.436 4.001 20 30 DIEDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001307526081 1065465387 /nfs/dbraw/zinc/46/53/87/1065465387.db2.gz GDRUYNQVQXFJPH-FQEVSTJZSA-N 1 0 308.400 4.453 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 ZINC001307534122 1065469022 /nfs/dbraw/zinc/46/90/22/1065469022.db2.gz DPMYSYHEZPVCBQ-LEWJYISDSA-N 1 0 302.421 4.460 20 30 DIEDRO CCC(CC)(CC)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001307533650 1065469499 /nfs/dbraw/zinc/46/94/99/1065469499.db2.gz KSMACUOZPSGLPK-UHFFFAOYSA-N 1 0 313.363 4.495 20 30 DIEDRO C=CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001307542450 1065474134 /nfs/dbraw/zinc/47/41/34/1065474134.db2.gz XYNSLIQKAGAZAB-SFHVURJKSA-N 1 0 315.461 4.019 20 30 DIEDRO C=CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001307542449 1065474300 /nfs/dbraw/zinc/47/43/00/1065474300.db2.gz XYNSLIQKAGAZAB-GOSISDBHSA-N 1 0 315.461 4.019 20 30 DIEDRO C=CCCC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001307615595 1065519567 /nfs/dbraw/zinc/51/95/67/1065519567.db2.gz KJFUTABLNNKBQT-MRXNPFEDSA-N 1 0 310.482 4.016 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC001307626743 1065526952 /nfs/dbraw/zinc/52/69/52/1065526952.db2.gz MRXMDCZTBLJYKM-AEFFLSMTSA-N 1 0 314.473 4.117 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC001307632959 1065530442 /nfs/dbraw/zinc/53/04/42/1065530442.db2.gz TWWCATRQYFIMQL-AWEZNQCLSA-N 1 0 302.805 4.064 20 30 DIEDRO C#CC[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)c1ccccc1 ZINC001307633726 1065530722 /nfs/dbraw/zinc/53/07/22/1065530722.db2.gz VHMUIPDKLPKOKC-QGZVFWFLSA-N 1 0 317.791 4.212 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)CC1 ZINC001307634066 1065531171 /nfs/dbraw/zinc/53/11/71/1065531171.db2.gz ZGIQZDKGNVRCKF-IBGZPJMESA-N 1 0 306.409 4.090 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1cccc(F)c1F ZINC001307635360 1065531910 /nfs/dbraw/zinc/53/19/10/1065531910.db2.gz SHCMYAOYGNHVSM-ZDUSSCGKSA-N 1 0 300.352 4.304 20 30 DIEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)c1cccc(C#N)c1 ZINC001307635383 1065531943 /nfs/dbraw/zinc/53/19/43/1065531943.db2.gz SMKDYWHQKRHDQO-SFTDATJTSA-N 1 0 322.452 4.277 20 30 DIEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)c1cccc(C#N)c1 ZINC001307635382 1065533391 /nfs/dbraw/zinc/53/33/91/1065533391.db2.gz SMKDYWHQKRHDQO-RTWAWAEBSA-N 1 0 322.452 4.277 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(C)c(F)c1 ZINC001307644696 1065535825 /nfs/dbraw/zinc/53/58/25/1065535825.db2.gz QZYKQUJGUOFAHT-SFHVURJKSA-N 1 0 300.352 4.386 20 30 DIEDRO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1 ZINC001307647782 1065538565 /nfs/dbraw/zinc/53/85/65/1065538565.db2.gz VFUKABQYLJPHHK-UTKZUKDTSA-N 1 0 321.468 4.067 20 30 DIEDRO COc1ccc(C#N)cc1C[NH+](CC(C)(C)C)CC(C)(C)C ZINC001307648608 1065540854 /nfs/dbraw/zinc/54/08/54/1065540854.db2.gz ACBDGGJWGLIION-UHFFFAOYSA-N 1 0 302.462 4.461 20 30 DIEDRO Cc1ccccc1C1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001307670095 1065553658 /nfs/dbraw/zinc/55/36/58/1065553658.db2.gz NQUNBRAEVRYRKR-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C=C(CC)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC001307672957 1065557103 /nfs/dbraw/zinc/55/71/03/1065557103.db2.gz IUNOUWWSVJBWTI-UHFFFAOYSA-N 1 0 324.262 4.259 20 30 DIEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001307705978 1065574413 /nfs/dbraw/zinc/57/44/13/1065574413.db2.gz KIPMEVUEIOZMCE-YJBOKZPZSA-N 1 0 300.446 4.132 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001307733678 1065593682 /nfs/dbraw/zinc/59/36/82/1065593682.db2.gz XKBYAMDSHFSCFT-WFASDCNBSA-N 1 0 300.229 4.067 20 30 DIEDRO CCCC1CCC([N@H+](C)Cc2ccc(C#N)cc2OC)CC1 ZINC001307742350 1065598659 /nfs/dbraw/zinc/59/86/59/1065598659.db2.gz PVJJWEFIQGBIPG-UHFFFAOYSA-N 1 0 300.446 4.358 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001307742365 1065599467 /nfs/dbraw/zinc/59/94/67/1065599467.db2.gz QBCNRYZUSDVAMU-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC001307751017 1065604391 /nfs/dbraw/zinc/60/43/91/1065604391.db2.gz AZDYCLVOSZYCQW-ATCWAGBWSA-N 1 0 321.262 4.235 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001307751178 1065604494 /nfs/dbraw/zinc/60/44/94/1065604494.db2.gz CJPINBYISIWBFB-HALDLXJZSA-N 1 0 309.375 4.471 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH+]2CCCCCCCC2)c1 ZINC001307772328 1065612977 /nfs/dbraw/zinc/61/29/77/1065612977.db2.gz ADWYNEDADAGBNC-UHFFFAOYSA-N 1 0 321.262 4.477 20 30 DIEDRO CCCC[N@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCCC[C@H]1OC ZINC001307769928 1065613783 /nfs/dbraw/zinc/61/37/83/1065613783.db2.gz LXBCOBPDTWBDFR-WOJBJXKFSA-N 1 0 314.473 4.312 20 30 DIEDRO C#CCCCCCC[N@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001307787172 1065618921 /nfs/dbraw/zinc/61/89/21/1065618921.db2.gz BPGXSOILIDBGDP-QGZVFWFLSA-N 1 0 318.892 4.434 20 30 DIEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC001307781738 1065619250 /nfs/dbraw/zinc/61/92/50/1065619250.db2.gz NSQZDNOYXMFXMU-HZPDHXFCSA-N 1 0 306.247 4.218 20 30 DIEDRO Cc1cccc2c1CC(C)(C)[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001307788691 1065621936 /nfs/dbraw/zinc/62/19/36/1065621936.db2.gz AJOYHKOFLCFDKZ-UHFFFAOYSA-N 1 0 308.400 4.343 20 30 DIEDRO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001307832145 1065643802 /nfs/dbraw/zinc/64/38/02/1065643802.db2.gz ITNGLMJAPNTKHF-UXHICEINSA-N 1 0 308.400 4.465 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC001307926749 1065683982 /nfs/dbraw/zinc/68/39/82/1065683982.db2.gz YCWSJIBBVAMCGP-CRAIPNDOSA-N 1 0 318.436 4.187 20 30 DIEDRO C=CCC1([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)CCCC1 ZINC001307933733 1065688546 /nfs/dbraw/zinc/68/85/46/1065688546.db2.gz BWOYXSJQYVNYTI-UHFFFAOYSA-N 1 0 322.493 4.255 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC001307960986 1065701769 /nfs/dbraw/zinc/70/17/69/1065701769.db2.gz FFNZGWOVRJMTTR-OAHLLOKOSA-N 1 0 312.413 4.138 20 30 DIEDRO CCCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001307986204 1065712605 /nfs/dbraw/zinc/71/26/05/1065712605.db2.gz BEBFGDBTDKLXNA-CALCHBBNSA-N 1 0 324.509 4.431 20 30 DIEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H](CO)c1ccccc1 ZINC001308029524 1065731687 /nfs/dbraw/zinc/73/16/87/1065731687.db2.gz NLYMUMYMJQIRLX-HXUWFJFHSA-N 1 0 322.452 4.043 20 30 DIEDRO C=CCC1(O)CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC001308091057 1065757086 /nfs/dbraw/zinc/75/70/86/1065757086.db2.gz WYQOARFYCJQVJS-UHFFFAOYSA-N 1 0 313.466 4.318 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(Cl)cc2Br)CCC1 ZINC001308101815 1065762515 /nfs/dbraw/zinc/76/25/15/1065762515.db2.gz SZCBSMFPFLZVOM-UHFFFAOYSA-N 1 0 312.638 4.138 20 30 DIEDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001308098990 1065762958 /nfs/dbraw/zinc/76/29/58/1065762958.db2.gz NIPTVEYWJHJRKT-DYESRHJHSA-N 1 0 320.436 4.357 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Cl)nc1)[C@H]1CCCc2ccccc21 ZINC001308103450 1065763905 /nfs/dbraw/zinc/76/39/05/1065763905.db2.gz HMOCSRJZCHPQBB-SFHVURJKSA-N 1 0 310.828 4.248 20 30 DIEDRO C#CC[N@@H+](Cc1sc(C)nc1C)[C@@H]1CCCc2ccccc21 ZINC001308104009 1065765062 /nfs/dbraw/zinc/76/50/62/1065765062.db2.gz LZEGWRVQOIUTMZ-GOSISDBHSA-N 1 0 310.466 4.273 20 30 DIEDRO C[C@H](C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001308114353 1065768279 /nfs/dbraw/zinc/76/82/79/1065768279.db2.gz MQSFOZJTBIYQDI-YJBOKZPZSA-N 1 0 300.446 4.004 20 30 DIEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC001308125451 1065771990 /nfs/dbraw/zinc/77/19/90/1065771990.db2.gz QEAOTBOJOAPWRX-LEOMRAHMSA-N 1 0 302.487 4.475 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC001308138123 1065774434 /nfs/dbraw/zinc/77/44/34/1065774434.db2.gz WFBSHALJIYDRLT-HNNXBMFYSA-N 1 0 315.392 4.115 20 30 DIEDRO CCOc1ccc(CC[N@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC001308140760 1065777064 /nfs/dbraw/zinc/77/70/64/1065777064.db2.gz ALUVPLOSABQKCM-MRXNPFEDSA-N 1 0 308.425 4.192 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1csc(C#N)c1 ZINC001308189697 1065798618 /nfs/dbraw/zinc/79/86/18/1065798618.db2.gz DIRQQSXAVOENDJ-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CCOCC2)C1 ZINC001308221261 1065828060 /nfs/dbraw/zinc/82/80/60/1065828060.db2.gz JSJYNBXMROKMSF-RTBURBONSA-N 1 0 313.485 4.378 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001308269638 1065868707 /nfs/dbraw/zinc/86/87/07/1065868707.db2.gz VGJHOZDRMJIUHW-KBPBESRZSA-N 1 0 323.889 4.116 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(c2cccc(F)c2)CC1 ZINC001308279783 1065879069 /nfs/dbraw/zinc/87/90/69/1065879069.db2.gz USEAJXOTVCTGAK-UHFFFAOYSA-N 1 0 308.400 4.136 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC001308346182 1065929945 /nfs/dbraw/zinc/92/99/45/1065929945.db2.gz RLVXYDTWUNRHGU-AWEZNQCLSA-N 1 0 303.837 4.360 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCOc3ccc(CC)cc32)c1 ZINC001308366512 1065944190 /nfs/dbraw/zinc/94/41/90/1065944190.db2.gz OWMMUUTXJDLOOT-HXUWFJFHSA-N 1 0 323.436 4.427 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)C1 ZINC001308368437 1065944774 /nfs/dbraw/zinc/94/47/74/1065944774.db2.gz WMIAPKMWVFEKGR-HKUYNNGSSA-N 1 0 315.457 4.235 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001308374572 1065947964 /nfs/dbraw/zinc/94/79/64/1065947964.db2.gz OCNYDCNLTIGLNO-IKGGRYGDSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(Br)cn2)CCCC1 ZINC001308402659 1065964946 /nfs/dbraw/zinc/96/49/46/1065964946.db2.gz AKICQEGWNXIKQB-UHFFFAOYSA-N 1 0 309.251 4.070 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CCCC1 ZINC001308402859 1065965584 /nfs/dbraw/zinc/96/55/84/1065965584.db2.gz FAFSGXJPLVQGLZ-UHFFFAOYSA-N 1 0 303.837 4.214 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](COC)c2ccc(Cl)cc2)C1 ZINC001308409596 1065969899 /nfs/dbraw/zinc/96/98/99/1065969899.db2.gz TXTUNYBKWNHXKT-UWWQBHOKSA-N 1 0 307.865 4.404 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC(C)(C)c1ccc(C)cc1C ZINC001308415781 1065972686 /nfs/dbraw/zinc/97/26/86/1065972686.db2.gz DKBZODKELQYNQI-UHFFFAOYSA-N 1 0 321.464 4.383 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)cc1 ZINC001308419694 1065976744 /nfs/dbraw/zinc/97/67/44/1065976744.db2.gz CJAAPCXUZWFCRH-MRXNPFEDSA-N 1 0 307.384 4.004 20 30 DIEDRO CCOc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC001308428151 1065981228 /nfs/dbraw/zinc/98/12/28/1065981228.db2.gz VSYNDEUTENRLCC-MRXNPFEDSA-N 1 0 322.452 4.234 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC001308434373 1065985290 /nfs/dbraw/zinc/98/52/90/1065985290.db2.gz LCXWTHNBEKWMMH-HXUWFJFHSA-N 1 0 309.453 4.191 20 30 DIEDRO C=C(CC)C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC001308435007 1065986020 /nfs/dbraw/zinc/98/60/20/1065986020.db2.gz CTRSKLVNFHGOEH-UHFFFAOYSA-N 1 0 311.473 4.285 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)cc1Cl ZINC001308438912 1065987282 /nfs/dbraw/zinc/98/72/82/1065987282.db2.gz XSWWWAYDLWEBNP-SCLBCKFNSA-N 1 0 323.864 4.198 20 30 DIEDRO C#Cc1cccc(C[NH2+]C/C(C)=C/c2ccccc2COC)c1 ZINC001308436994 1065987736 /nfs/dbraw/zinc/98/77/36/1065987736.db2.gz YLTYODHLEWIOTQ-SFQUDFHCSA-N 1 0 305.421 4.007 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CC2(C)C)cc1OC ZINC001308440917 1065989599 /nfs/dbraw/zinc/98/95/99/1065989599.db2.gz HMODXTFMZGWKGB-HOTGVXAUSA-N 1 0 303.446 4.174 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CC2(C)C)cc1OC ZINC001308440919 1065990011 /nfs/dbraw/zinc/99/00/11/1065990011.db2.gz HMODXTFMZGWKGB-JKSUJKDBSA-N 1 0 303.446 4.174 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001308446635 1065993604 /nfs/dbraw/zinc/99/36/04/1065993604.db2.gz AMFBFPJIDAAIQT-UHFFFAOYSA-N 1 0 322.305 4.200 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1C ZINC001308462155 1066004463 /nfs/dbraw/zinc/00/44/63/1066004463.db2.gz MIBOCDKUDDATTC-NVXWUHKLSA-N 1 0 303.446 4.237 20 30 DIEDRO CCCOc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1C ZINC001308467135 1066008097 /nfs/dbraw/zinc/00/80/97/1066008097.db2.gz VNTNVPQWJAOSCH-UHFFFAOYSA-N 1 0 300.446 4.348 20 30 DIEDRO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001308498490 1066028639 /nfs/dbraw/zinc/02/86/39/1066028639.db2.gz YMALYHKQAHSCSC-GOSISDBHSA-N 1 0 310.828 4.086 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001308504069 1066032620 /nfs/dbraw/zinc/03/26/20/1066032620.db2.gz YVLTYMRSZWTSJX-DAXOMENPSA-N 1 0 313.363 4.073 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001308510373 1066037098 /nfs/dbraw/zinc/03/70/98/1066037098.db2.gz SEGGZGWUDQCAPK-UHFFFAOYSA-N 1 0 309.494 4.469 20 30 DIEDRO N#CC1(c2ccc(CNc3ccc4c([nH+]3)CCCC4)cc2)CC1 ZINC001308510293 1066037383 /nfs/dbraw/zinc/03/73/83/1066037383.db2.gz QKXOHLMSIXZXKX-UHFFFAOYSA-N 1 0 303.409 4.128 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2C)cc1 ZINC001308513368 1066039225 /nfs/dbraw/zinc/03/92/25/1066039225.db2.gz NBPXQEMWLBDUOS-MRXNPFEDSA-N 1 0 311.400 4.387 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc3occc3c2)cc1C#N ZINC001308519199 1066042841 /nfs/dbraw/zinc/04/28/41/1066042841.db2.gz FCXCSJAHXAWWEP-UHFFFAOYSA-N 1 0 308.406 4.316 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2c1CCC2 ZINC001308530297 1066049062 /nfs/dbraw/zinc/04/90/62/1066049062.db2.gz VIZVSRFHMOFGON-UHFFFAOYSA-N 1 0 304.437 4.158 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)COCC2CCCCC2)c1 ZINC001308530621 1066049436 /nfs/dbraw/zinc/04/94/36/1066049436.db2.gz XLXAYKSOEXVWJX-KRWDZBQOSA-N 1 0 317.473 4.326 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2CC23CC(O)C3)c1 ZINC001308533946 1066053161 /nfs/dbraw/zinc/05/31/61/1066053161.db2.gz UYJFQNMZTJCHCC-SKINQDTJSA-N 1 0 317.473 4.039 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(-c3cnco3)cc2)c1 ZINC001308542275 1066058220 /nfs/dbraw/zinc/05/82/20/1066058220.db2.gz FAINDIAZJMCZTM-UHFFFAOYSA-N 1 0 320.392 4.196 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)cc1OC ZINC001308569759 1066078283 /nfs/dbraw/zinc/07/82/83/1066078283.db2.gz JTJMHDDXZSYFBE-QWHCGFSZSA-N 1 0 309.837 4.144 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)cc1OC ZINC001308569757 1066079829 /nfs/dbraw/zinc/07/98/29/1066079829.db2.gz JTJMHDDXZSYFBE-OLZOCXBDSA-N 1 0 309.837 4.144 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2c1NCCC2 ZINC001308576730 1066090315 /nfs/dbraw/zinc/09/03/15/1066090315.db2.gz BCRLZLPZLUCEHS-UHFFFAOYSA-N 1 0 322.452 4.242 20 30 DIEDRO CCNc1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001308579319 1066094840 /nfs/dbraw/zinc/09/48/40/1066094840.db2.gz WVACQONLPJEPKZ-PZJWPPBQSA-N 1 0 319.452 4.390 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC001308596223 1066107644 /nfs/dbraw/zinc/10/76/44/1066107644.db2.gz KDDWPIKGPZRYCZ-KGLIPLIRSA-N 1 0 323.889 4.068 20 30 DIEDRO CSC1(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)CCC1 ZINC001308611932 1066117295 /nfs/dbraw/zinc/11/72/95/1066117295.db2.gz SLINAQFUJRRCDJ-UHFFFAOYSA-N 1 0 302.487 4.302 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)CC1CCCCC1 ZINC001308615152 1066119250 /nfs/dbraw/zinc/11/92/50/1066119250.db2.gz HIOKUIJJSDEVIA-UHFFFAOYSA-N 1 0 300.446 4.359 20 30 DIEDRO CC[C@@H]1CCC[C@H](C[N@H+](CCOC)Cc2ccc(C#N)cc2)C1 ZINC001308615759 1066120756 /nfs/dbraw/zinc/12/07/56/1066120756.db2.gz QZMYANCEYYMJHV-XLIONFOSSA-N 1 0 314.473 4.223 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc2c1CCC2 ZINC001308630556 1066125909 /nfs/dbraw/zinc/12/59/09/1066125909.db2.gz BEXRQRWDJRWSDK-UHFFFAOYSA-N 1 0 302.421 4.235 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001308632331 1066128165 /nfs/dbraw/zinc/12/81/65/1066128165.db2.gz MPVKOKLXNONZQQ-UHFFFAOYSA-N 1 0 316.448 4.472 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cccc2c1NCCC2 ZINC001308633378 1066128587 /nfs/dbraw/zinc/12/85/87/1066128587.db2.gz ZPHBARGZBIWVMZ-UHFFFAOYSA-N 1 0 306.453 4.275 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(/C=C\C(=O)OC)o1)CC1CCCCC1 ZINC001308633902 1066129266 /nfs/dbraw/zinc/12/92/66/1066129266.db2.gz GGHWAYQDZKTLLN-QXMHVHEDSA-N 1 0 317.429 4.034 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(OCC)c(F)c1 ZINC001308632772 1066129298 /nfs/dbraw/zinc/12/92/98/1066129298.db2.gz SAJQINOLCHNWHU-UHFFFAOYSA-N 1 0 313.416 4.455 20 30 DIEDRO C#CC[N@@H+](Cc1cc(COC)cs1)[C@@H]1CCc2ccccc21 ZINC001308635269 1066129882 /nfs/dbraw/zinc/12/98/82/1066129882.db2.gz QWCOMARIEVAXCB-LJQANCHMSA-N 1 0 311.450 4.017 20 30 DIEDRO C=CC[N@@H+](Cc1cnn(CC2CCC2)c1)CC1CCCCC1 ZINC001308635699 1066130284 /nfs/dbraw/zinc/13/02/84/1066130284.db2.gz UYRIOLRTHGDFCR-UHFFFAOYSA-N 1 0 301.478 4.252 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC001308643386 1066134308 /nfs/dbraw/zinc/13/43/08/1066134308.db2.gz QNCGFUANTZZJNP-BZNIZROVSA-N 1 0 320.845 4.139 20 30 DIEDRO C[N@H+](CC#Cc1ccccc1)Cc1ccc(OC(F)(F)F)cc1 ZINC001308648945 1066136404 /nfs/dbraw/zinc/13/64/04/1066136404.db2.gz FOQMXCYOZPNIIK-UHFFFAOYSA-N 1 0 319.326 4.069 20 30 DIEDRO C#Cc1cccc(N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001308668323 1066145816 /nfs/dbraw/zinc/14/58/16/1066145816.db2.gz DJPBWPXJVWUEMT-DYESRHJHSA-N 1 0 304.437 4.133 20 30 DIEDRO Cc1cc(C)cc(C2=CC[N@H+](CC#Cc3ccccc3)CC2)c1 ZINC001308678927 1066151985 /nfs/dbraw/zinc/15/19/85/1066151985.db2.gz MGAKMNVLISPEDS-UHFFFAOYSA-N 1 0 301.433 4.444 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 ZINC001308738197 1066213975 /nfs/dbraw/zinc/21/39/75/1066213975.db2.gz QDWGMDSEMFEVFN-HXPMCKFVSA-N 1 0 312.363 4.217 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cc(Br)cnc1F ZINC001308752814 1066224718 /nfs/dbraw/zinc/22/47/18/1066224718.db2.gz FFDXBAZGUCGDKO-UHFFFAOYSA-N 1 0 315.230 4.209 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCCCC)C2(C)C)cc1 ZINC001308756978 1066232393 /nfs/dbraw/zinc/23/23/93/1066232393.db2.gz FXTADPMNHVSWIM-MOPGFXCFSA-N 1 0 317.473 4.325 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+](C)[C@@H](C)C2CC2)cc1OC ZINC001308770203 1066242698 /nfs/dbraw/zinc/24/26/98/1066242698.db2.gz RSZUNWXKJAWOEM-LBPRGKRZSA-N 1 0 309.837 4.144 20 30 DIEDRO C#C[C@H]([NH2+]C[C@@H](C)CC(C)C)c1ccc(Br)cc1 ZINC001308784840 1066260061 /nfs/dbraw/zinc/26/00/61/1066260061.db2.gz ONHWLRDNJIVBLM-BBRMVZONSA-N 1 0 308.263 4.395 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccccc1SC)c1ccc(F)cc1 ZINC001308786109 1066262564 /nfs/dbraw/zinc/26/25/64/1066262564.db2.gz JAWHSOGBJMEREH-KBXCAEBGSA-N 1 0 313.441 4.443 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001308794137 1066271385 /nfs/dbraw/zinc/27/13/85/1066271385.db2.gz ISVVIUNZRUIXSW-MRXNPFEDSA-N 1 0 316.445 4.171 20 30 DIEDRO CC1(C)[C@@H](C[NH2+]Cc2cccc(F)c2C#N)[C@@H]1c1ccccc1 ZINC001308810661 1066286244 /nfs/dbraw/zinc/28/62/44/1066286244.db2.gz RFNQHIPYGZCWNH-HKUYNNGSSA-N 1 0 308.400 4.227 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1F ZINC001308809901 1066286903 /nfs/dbraw/zinc/28/69/03/1066286903.db2.gz SFGBXBPFDPCSKP-MLGOLLRUSA-N 1 0 318.754 4.136 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](C)CCc2cncc3ccccc32)c1 ZINC001308819836 1066294165 /nfs/dbraw/zinc/29/41/65/1066294165.db2.gz IQYGWDIBXQSSFP-KRWDZBQOSA-N 1 0 314.432 4.327 20 30 DIEDRO N#CC1(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CCC1 ZINC001308823915 1066298963 /nfs/dbraw/zinc/29/89/63/1066298963.db2.gz ALOQUHFIQNKCTO-UHFFFAOYSA-N 1 0 310.363 4.312 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001308826290 1066301997 /nfs/dbraw/zinc/30/19/97/1066301997.db2.gz UDGRSTDCYPWUDS-VGSWGCGISA-N 1 0 316.448 4.330 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Cc3nc(CC)cs3)CC2)cc1 ZINC001308840265 1066315465 /nfs/dbraw/zinc/31/54/65/1066315465.db2.gz KDTDZLJFGIXWMG-UHFFFAOYSA-N 1 0 324.493 4.142 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC001308842398 1066318013 /nfs/dbraw/zinc/31/80/13/1066318013.db2.gz ZLWGNBZLXWCGNL-QGZVFWFLSA-N 1 0 324.493 4.230 20 30 DIEDRO C[C@@H](CC1CCCCC1)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001308851414 1066331039 /nfs/dbraw/zinc/33/10/39/1066331039.db2.gz KTXFZEVTUNMEKA-JXFKEZNVSA-N 1 0 314.473 4.130 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC001308884773 1066365331 /nfs/dbraw/zinc/36/53/31/1066365331.db2.gz XYSOYILJLKORPK-UHFFFAOYSA-N 1 0 315.416 4.108 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001308891061 1066370995 /nfs/dbraw/zinc/37/09/95/1066370995.db2.gz HSHIGPBTJOVKSY-CZUORRHYSA-N 1 0 314.395 4.252 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001308891060 1066371721 /nfs/dbraw/zinc/37/17/21/1066371721.db2.gz HSHIGPBTJOVKSY-CJNGLKHVSA-N 1 0 314.395 4.252 20 30 DIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2cc(F)cc(C#N)c2)CC1 ZINC001308902831 1066379379 /nfs/dbraw/zinc/37/93/79/1066379379.db2.gz TWRVNLGNGMFVIQ-IFXJQAMLSA-N 1 0 315.436 4.152 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1COc2cccc(Br)c2C1 ZINC001308913091 1066392717 /nfs/dbraw/zinc/39/27/17/1066392717.db2.gz KGLBWHJUSUIHQV-STQMWFEESA-N 1 0 324.262 4.087 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC001308915266 1066394124 /nfs/dbraw/zinc/39/41/24/1066394124.db2.gz SZQYKCGRAQVRAW-AWEZNQCLSA-N 1 0 316.272 4.233 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC(c3ccc(C)c(C)c3)=NO2)C1 ZINC001308924005 1066401084 /nfs/dbraw/zinc/40/10/84/1066401084.db2.gz DIOZDOGUCWGOMB-NZSAHSFTSA-N 1 0 312.457 4.131 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C)CC(C)(C)C#N)cc1Br ZINC001308928066 1066403613 /nfs/dbraw/zinc/40/36/13/1066403613.db2.gz NDDRZSUCFUDQRD-LBPRGKRZSA-N 1 0 309.251 4.176 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC001308931298 1066404472 /nfs/dbraw/zinc/40/44/72/1066404472.db2.gz OOZUTYXOLZGPBW-GFCCVEGCSA-N 1 0 305.388 4.278 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC001308940640 1066410281 /nfs/dbraw/zinc/41/02/81/1066410281.db2.gz DJFPPPHGZRQXDT-PPXMBRMGSA-N 1 0 308.469 4.416 20 30 DIEDRO Cc1cc2c(cc1Br)C[N@H+](C[C@H](C)CCC#N)CC2 ZINC001308949376 1066415426 /nfs/dbraw/zinc/41/54/26/1066415426.db2.gz DWOOGBZULVKNBP-GFCCVEGCSA-N 1 0 321.262 4.056 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](c2nc(CC)no2)C1 ZINC001308958550 1066420121 /nfs/dbraw/zinc/42/01/21/1066420121.db2.gz HTPOVFPPWJOURD-HRCADAONSA-N 1 0 305.466 4.383 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+](C)CC2CCC2)cc1OC ZINC001308964977 1066423917 /nfs/dbraw/zinc/42/39/17/1066423917.db2.gz ACRGRLZTZPPZNA-UHFFFAOYSA-N 1 0 309.837 4.145 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccs2)ccc1OC ZINC000057959229 334953030 /nfs/dbraw/zinc/95/30/30/334953030.db2.gz FCPCMRCAYUCVQZ-UHFFFAOYSA-N 1 0 303.427 4.001 20 30 DIEDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)CC1 ZINC000108423683 185512728 /nfs/dbraw/zinc/51/27/28/185512728.db2.gz BCCFEPYLZNIBQY-UHFFFAOYSA-N 1 0 319.452 4.084 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3c1cccc3Cl)CC2 ZINC000563783396 335007119 /nfs/dbraw/zinc/00/71/19/335007119.db2.gz WVAWRQOSKLJQNK-OALUTQOASA-N 1 0 308.812 4.476 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cnc(OC)c(Cl)c1)c1ccccc1 ZINC000284467670 335012805 /nfs/dbraw/zinc/01/28/05/335012805.db2.gz UFDJBQONLUDPEV-DYVFJYSZSA-N 1 0 314.816 4.159 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cnc(OC)c(Cl)c1)c1ccccc1 ZINC000284467673 335012812 /nfs/dbraw/zinc/01/28/12/335012812.db2.gz UFDJBQONLUDPEV-GUYCJALGSA-N 1 0 314.816 4.159 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000284600094 335013977 /nfs/dbraw/zinc/01/39/77/335013977.db2.gz KTYUSNPQTZAKTE-BQFCYCMXSA-N 1 0 305.466 4.019 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCCOCC2)cc1 ZINC000183349324 335025582 /nfs/dbraw/zinc/02/55/82/335025582.db2.gz NEQZUQHDKSVVMP-HOCLYGCPSA-N 1 0 309.837 4.038 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccco1 ZINC000285547530 335027004 /nfs/dbraw/zinc/02/70/04/335027004.db2.gz GIQMHNCWUOWNKN-OAHLLOKOSA-N 1 0 301.386 4.094 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccco1 ZINC000285915762 335027664 /nfs/dbraw/zinc/02/76/64/335027664.db2.gz CDZVASXRKXXAEF-SFHVURJKSA-N 1 0 321.424 4.477 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccco1 ZINC000286318996 335034623 /nfs/dbraw/zinc/03/46/23/335034623.db2.gz XMFLJCOSIIJIHL-MRXNPFEDSA-N 1 0 313.397 4.238 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](CCCc2ccccc2)CC1 ZINC000039199435 183015020 /nfs/dbraw/zinc/01/50/20/183015020.db2.gz XYOLVZKHEFSPGO-UHFFFAOYSA-N 1 0 304.437 4.177 20 30 DIEDRO C[C@H](SCCc1nc2ccccc2n1C)c1cccc(C#N)c1 ZINC000563838278 335043237 /nfs/dbraw/zinc/04/32/37/335043237.db2.gz YKCQJUUGEHWGSI-AWEZNQCLSA-N 1 0 321.449 4.482 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442713982 335044809 /nfs/dbraw/zinc/04/48/09/335044809.db2.gz JMWLZQRGAAHANS-XPKDYRNWSA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1N(C)C ZINC000272192905 130006183 /nfs/dbraw/zinc/00/61/83/130006183.db2.gz HOZDOOXFVFJQKR-AWEZNQCLSA-N 1 0 323.415 4.103 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272317819 130021319 /nfs/dbraw/zinc/02/13/19/130021319.db2.gz VIRAKMGPMMHHQH-OAHLLOKOSA-N 1 0 306.409 4.215 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000275721959 130371515 /nfs/dbraw/zinc/37/15/15/130371515.db2.gz SPSXMABGSRONDF-MRXNPFEDSA-N 1 0 312.457 4.433 20 30 DIEDRO COc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000284431132 131079610 /nfs/dbraw/zinc/07/96/10/131079610.db2.gz RKTRZAPUIHCTEM-VXGBXAGGSA-N 1 0 315.804 4.027 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000285924862 131210166 /nfs/dbraw/zinc/21/01/66/131210166.db2.gz DXIFZVWFKGHYHS-LSDHHAIUSA-N 1 0 324.424 4.296 20 30 DIEDRO COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000289367395 131378723 /nfs/dbraw/zinc/37/87/23/131378723.db2.gz ZWXOPDLHQHUKFM-YVEFUNNKSA-N 1 0 310.372 4.044 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000570502713 332764859 /nfs/dbraw/zinc/76/48/59/332764859.db2.gz MNJZLAJTOYGRPR-YPMHNXCESA-N 1 0 312.255 4.025 20 30 DIEDRO CCCC[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537980032 332833133 /nfs/dbraw/zinc/83/31/33/332833133.db2.gz GNWDDTIQPVBWNV-FAEJEUNOSA-N 1 0 300.446 4.417 20 30 DIEDRO CCCOc1cccc(CC[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000538406301 331521527 /nfs/dbraw/zinc/52/15/27/331521527.db2.gz YABCILQCHVFZSS-MRXNPFEDSA-N 1 0 308.425 4.240 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](CSc2ccccc2)C(C)C)CC1 ZINC000180489278 331570402 /nfs/dbraw/zinc/57/04/02/331570402.db2.gz XEZQZUCIMDDTEF-IBGZPJMESA-N 1 0 318.530 4.043 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(SCC)cc2)CC1 ZINC000533787261 331689610 /nfs/dbraw/zinc/68/96/10/331689610.db2.gz SGHGMVZLUWKTLG-MRXNPFEDSA-N 1 0 318.530 4.490 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCSc3ccc(F)cc3)CC2)c1 ZINC000556510465 331711605 /nfs/dbraw/zinc/71/16/05/331711605.db2.gz KDXSRDOZHPCPLJ-UHFFFAOYSA-N 1 0 312.413 4.068 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccco1 ZINC000556873419 331746086 /nfs/dbraw/zinc/74/60/86/331746086.db2.gz XJZJALZTDCYFEE-LJQANCHMSA-N 1 0 321.424 4.305 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3ccc(OC)cc32)cc1 ZINC000556912085 331752751 /nfs/dbraw/zinc/75/27/51/331752751.db2.gz KBIDHPXZPJWHSF-FQEVSTJZSA-N 1 0 309.409 4.037 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1Cl ZINC000558157115 331880580 /nfs/dbraw/zinc/88/05/80/331880580.db2.gz MTFZZZXPLBJLTD-LBPRGKRZSA-N 1 0 302.780 4.396 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC(C)(C)CCC#N ZINC000558238995 331886894 /nfs/dbraw/zinc/88/68/94/331886894.db2.gz XCGRSSNKESUATF-QGZVFWFLSA-N 1 0 300.446 4.337 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCc1c[nH]c3ccccc13)CC2 ZINC000558504725 331914216 /nfs/dbraw/zinc/91/42/16/331914216.db2.gz XKFGOSRZSVSQTC-NRFANRHFSA-N 1 0 315.420 4.249 20 30 DIEDRO C[C@H]([NH2+]CCCOc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000558741678 331940510 /nfs/dbraw/zinc/94/05/10/331940510.db2.gz JVJCYURQVJRPKU-AWEZNQCLSA-N 1 0 314.816 4.331 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)cc1 ZINC000559070323 331970534 /nfs/dbraw/zinc/97/05/34/331970534.db2.gz YGZXIHGPAYIGQE-GOSISDBHSA-N 1 0 310.441 4.290 20 30 DIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000559149180 331982249 /nfs/dbraw/zinc/98/22/49/331982249.db2.gz GEQKBNHEFXAYAQ-XDQVBPFNSA-N 1 0 310.363 4.479 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1OC ZINC000518248387 332000258 /nfs/dbraw/zinc/00/02/58/332000258.db2.gz GLCDHWHJHOCBFH-DOTOQJQBSA-N 1 0 303.446 4.318 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c(F)c1 ZINC000520042778 332030347 /nfs/dbraw/zinc/03/03/47/332030347.db2.gz DQOYDCJQVQBIDT-GOSISDBHSA-N 1 0 312.363 4.044 20 30 DIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000409868492 332061771 /nfs/dbraw/zinc/06/17/71/332061771.db2.gz VYXKKDJTTDWXRM-KKXDTOCCSA-N 1 0 324.399 4.303 20 30 DIEDRO C=CCC[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccco1 ZINC000569367218 332064762 /nfs/dbraw/zinc/06/47/62/332064762.db2.gz NMQRWDZSTVEIJS-GOSISDBHSA-N 1 0 314.429 4.339 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000518554858 332080795 /nfs/dbraw/zinc/08/07/95/332080795.db2.gz CHLNZBVFLRDDFR-UHFFFAOYSA-N 1 0 320.436 4.109 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+][C@H](CCC#N)c1ccccc1)CCC2 ZINC000090665133 332092013 /nfs/dbraw/zinc/09/20/13/332092013.db2.gz QBGWTYAIUUPGOC-NVXWUHKLSA-N 1 0 311.454 4.464 20 30 DIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000090665193 332092162 /nfs/dbraw/zinc/09/21/62/332092162.db2.gz LFTXHJZGEPWUFP-YWZLYKJASA-N 1 0 321.424 4.341 20 30 DIEDRO Cc1cc(C[C@H](C)[NH2+]CC(C)(C)CCC#N)n(-c2ccccc2)n1 ZINC000091064224 332099406 /nfs/dbraw/zinc/09/94/06/332099406.db2.gz FANCZYAPFPSHRQ-INIZCTEOSA-N 1 0 324.472 4.031 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCOCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000569492599 332102143 /nfs/dbraw/zinc/10/21/43/332102143.db2.gz GIMPASCPGGRWFL-GOSISDBHSA-N 1 0 302.462 4.201 20 30 DIEDRO CCC[N@H+](CCCCC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000410318578 332111555 /nfs/dbraw/zinc/11/15/55/332111555.db2.gz JLQYBKNRIKGTFM-UHFFFAOYSA-N 1 0 314.473 4.367 20 30 DIEDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000410335288 332113778 /nfs/dbraw/zinc/11/37/78/332113778.db2.gz OJSPZXJNHSOTNM-GOSISDBHSA-N 1 0 314.473 4.397 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000091966881 332116094 /nfs/dbraw/zinc/11/60/94/332116094.db2.gz RVUVOXOICUMHSP-MSOLQXFVSA-N 1 0 318.436 4.044 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(C(F)(F)F)c1 ZINC000092125162 332119835 /nfs/dbraw/zinc/11/98/35/332119835.db2.gz ZGRBWLOITLQUIX-UHFFFAOYSA-N 1 0 310.344 4.271 20 30 DIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000410381753 332121188 /nfs/dbraw/zinc/12/11/88/332121188.db2.gz KIDTWOKQEOGNJS-SFHVURJKSA-N 1 0 306.494 4.378 20 30 DIEDRO CC(C)(C#N)CCS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000573563815 332138032 /nfs/dbraw/zinc/13/80/32/332138032.db2.gz JEVMVSFTFXCMEO-KRWDZBQOSA-N 1 0 302.487 4.324 20 30 DIEDRO C=C(C)C[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000181286454 332190070 /nfs/dbraw/zinc/19/00/70/332190070.db2.gz IFODEHULCXZZHI-UHFFFAOYSA-N 1 0 308.425 4.190 20 30 DIEDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363720840 332232328 /nfs/dbraw/zinc/23/23/28/332232328.db2.gz SKQGBRNKUCPHBR-CQSZACIVSA-N 1 0 316.408 4.108 20 30 DIEDRO CCOc1cccc(C[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000236951256 332252927 /nfs/dbraw/zinc/25/29/27/332252927.db2.gz BQMPGEDWGWTCPZ-UHFFFAOYSA-N 1 0 324.424 4.058 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CCC)c2ccc(OC)cc2)CC1 ZINC000152952287 332275881 /nfs/dbraw/zinc/27/58/81/332275881.db2.gz PNKYRHMRJFFOTM-HXUWFJFHSA-N 1 0 316.489 4.167 20 30 DIEDRO CC(C)c1ccc(C[NH2+]Cc2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000564960165 332300866 /nfs/dbraw/zinc/30/08/66/332300866.db2.gz BFBIYVIXAYOMAQ-UHFFFAOYSA-N 1 0 323.396 4.074 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccco1 ZINC000560520607 332349716 /nfs/dbraw/zinc/34/97/16/332349716.db2.gz RCFNZUIGPGBRPL-OALUTQOASA-N 1 0 312.457 4.049 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccco1 ZINC000560521422 332349934 /nfs/dbraw/zinc/34/99/34/332349934.db2.gz OTSIXSOPNYPRPP-LSDHHAIUSA-N 1 0 304.459 4.241 20 30 DIEDRO C[C@H](C[N@H+](C)CC(C)(C)C#N)c1cccc(Br)c1 ZINC000560569153 332360907 /nfs/dbraw/zinc/36/09/07/332360907.db2.gz CQTCRESICPDBJV-GFCCVEGCSA-N 1 0 309.251 4.034 20 30 DIEDRO C=C(C)C[N@H+](C/C=C\c1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000564498020 332379668 /nfs/dbraw/zinc/37/96/68/332379668.db2.gz QKPAEPIAHWQVHW-ARJAWSKDSA-N 1 0 315.388 4.003 20 30 DIEDRO Cc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000237731682 332386989 /nfs/dbraw/zinc/38/69/89/332386989.db2.gz SVBQNJUXUSHMIG-UHFFFAOYSA-N 1 0 309.356 4.217 20 30 DIEDRO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCC(C)(C)C#N)c1 ZINC000583399640 332387348 /nfs/dbraw/zinc/38/73/48/332387348.db2.gz ZRBXMYNTNZXWCN-MSOLQXFVSA-N 1 0 300.446 4.215 20 30 DIEDRO CC(C)[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CC1 ZINC000560898718 332392640 /nfs/dbraw/zinc/39/26/40/332392640.db2.gz MOSMGBSYPAWLNY-AFMYVXGZSA-N 1 0 312.457 4.272 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000155503150 332448984 /nfs/dbraw/zinc/44/89/84/332448984.db2.gz MQALTDABEYHUQI-SFHVURJKSA-N 1 0 309.409 4.255 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1F ZINC000150879412 332449526 /nfs/dbraw/zinc/44/95/26/332449526.db2.gz KYMNHKQNGQSIBF-MRXNPFEDSA-N 1 0 306.381 4.385 20 30 DIEDRO C[NH+](C)Cc1cccc(NCc2cccc(OCCCC#N)c2)c1 ZINC000156535717 332474514 /nfs/dbraw/zinc/47/45/14/332474514.db2.gz VNNOOUVSPXMSFG-UHFFFAOYSA-N 1 0 323.440 4.043 20 30 DIEDRO C=CC[C@H](C(=O)Nc1cc(C)cc(C[NH+](C)C)c1)c1ccccc1 ZINC000427646517 332476101 /nfs/dbraw/zinc/47/61/01/332476101.db2.gz RQDFWXQWALGPSZ-FQEVSTJZSA-N 1 0 322.452 4.355 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000157390001 332514254 /nfs/dbraw/zinc/51/42/54/332514254.db2.gz YXAUAVGBJJKODR-UHFFFAOYSA-N 1 0 313.470 4.416 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)nc1 ZINC000562042578 332537193 /nfs/dbraw/zinc/53/71/93/332537193.db2.gz DWOVAHCDJGLRKO-IBGZPJMESA-N 1 0 309.388 4.113 20 30 DIEDRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000562198671 332558760 /nfs/dbraw/zinc/55/87/60/332558760.db2.gz JGLONINJIDGQKS-LLVKDONJSA-N 1 0 324.371 4.359 20 30 DIEDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151382932 332574765 /nfs/dbraw/zinc/57/47/65/332574765.db2.gz FUMVLCKDCYQVSC-KGLIPLIRSA-N 1 0 321.449 4.450 20 30 DIEDRO Fc1cc(C[NH2+]C2CC(C(F)(F)F)C2)cc(C(F)(F)F)c1 ZINC000562893877 332637699 /nfs/dbraw/zinc/63/76/99/332637699.db2.gz JTNSXLFALLFRIL-UHFFFAOYSA-N 1 0 315.232 4.275 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(OCC#N)cc1 ZINC000171405042 332644843 /nfs/dbraw/zinc/64/48/43/332644843.db2.gz BZCPSYYNDQJBTQ-DYVFJYSZSA-N 1 0 312.438 4.379 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000569751711 332675483 /nfs/dbraw/zinc/67/54/83/332675483.db2.gz PIBBFTDOWUNLLB-AWEZNQCLSA-N 1 0 315.461 4.223 20 30 DIEDRO COc1ccc([C@H](C)CC[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000569861217 332687405 /nfs/dbraw/zinc/68/74/05/332687405.db2.gz UYILDTOMKKABOY-VFNWGFHPSA-N 1 0 320.436 4.338 20 30 DIEDRO C[C@@H]([NH2+]CCCCOCc1ccccc1)c1cccc(C#N)c1 ZINC000181632383 333031295 /nfs/dbraw/zinc/03/12/95/333031295.db2.gz RHEZIKBSICPNRK-QGZVFWFLSA-N 1 0 308.425 4.206 20 30 DIEDRO CC[N@H+](Cc1cccc(NC(C)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170643439 333037823 /nfs/dbraw/zinc/03/78/23/333037823.db2.gz GMEBRRSGDJIWRZ-HNNXBMFYSA-N 1 0 321.424 4.100 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)s2)C(C)(C)C)cc1 ZINC000580259266 333043215 /nfs/dbraw/zinc/04/32/15/333043215.db2.gz AVLDRRKBGNMGLD-UHFFFAOYSA-N 1 0 314.454 4.429 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2OC)cc1 ZINC000378913855 333063367 /nfs/dbraw/zinc/06/33/67/333063367.db2.gz VAYLQFJHIPZVJZ-MRXNPFEDSA-N 1 0 311.425 4.419 20 30 DIEDRO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCCSCC#N)o1 ZINC000466742849 333082084 /nfs/dbraw/zinc/08/20/84/333082084.db2.gz HNYPNZUIOKFXND-GDBMZVCRSA-N 1 0 306.475 4.262 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000022771694 335119942 /nfs/dbraw/zinc/11/99/42/335119942.db2.gz ZVDKGQOAZBHGHB-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO COc1ccc(C[NH2+]CC(C)(C)CCC#N)c(C(F)(F)F)c1 ZINC000174336253 333085268 /nfs/dbraw/zinc/08/52/68/333085268.db2.gz ZVZAOSJMEQKNFH-UHFFFAOYSA-N 1 0 314.351 4.134 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000174811335 333090933 /nfs/dbraw/zinc/09/09/33/333090933.db2.gz DQCMDRDIVOWNDE-HNNXBMFYSA-N 1 0 306.475 4.059 20 30 DIEDRO COc1cccc(C2CC[NH+](CCCC(C)(C)C#N)CC2)c1 ZINC000174837278 333091620 /nfs/dbraw/zinc/09/16/20/333091620.db2.gz GVNALAFEYRDPCP-UHFFFAOYSA-N 1 0 300.446 4.205 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1OC ZINC000462737057 333102359 /nfs/dbraw/zinc/10/23/59/333102359.db2.gz OTBNRSDRLJILOH-RCCFBDPRSA-N 1 0 315.457 4.318 20 30 DIEDRO N#CCCCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175855558 333105620 /nfs/dbraw/zinc/10/56/20/333105620.db2.gz YKMKKZFSSGVAEM-HOTGVXAUSA-N 1 0 306.475 4.110 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C2(C)CCCCC2)ccc1OC ZINC000518774660 333112042 /nfs/dbraw/zinc/11/20/42/333112042.db2.gz ZGQGFFGIZPALNR-UHFFFAOYSA-N 1 0 303.446 4.463 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000178509281 333140055 /nfs/dbraw/zinc/14/00/55/333140055.db2.gz JQBNQLGICZCJHT-AWEZNQCLSA-N 1 0 310.363 4.262 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)c1cc(Cl)ccc1OC(F)F ZINC000178647826 333141896 /nfs/dbraw/zinc/14/18/96/333141896.db2.gz YUDPGNZIHUSTMU-SNVBAGLBSA-N 1 0 302.752 4.286 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(Br)o1 ZINC000188074834 333158958 /nfs/dbraw/zinc/15/89/58/333158958.db2.gz KGBKGFCXXJXWQW-LLVKDONJSA-N 1 0 319.202 4.107 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000180165616 333159146 /nfs/dbraw/zinc/15/91/46/333159146.db2.gz SZDHYRXYHCCDQT-FQEVSTJZSA-N 1 0 306.409 4.138 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180550110 333162985 /nfs/dbraw/zinc/16/29/85/333162985.db2.gz OPPWJWIAIFUXAK-VBKZILBWSA-N 1 0 324.399 4.141 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181191012 333167998 /nfs/dbraw/zinc/16/79/98/333167998.db2.gz QYUUCRWRPUWLSF-FUHWJXTLSA-N 1 0 300.446 4.074 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]CCCC(C)(C)C#N)cc1OCC ZINC000181386262 333169184 /nfs/dbraw/zinc/16/91/84/333169184.db2.gz QICUCNAOCRMLCB-HNNXBMFYSA-N 1 0 318.461 4.465 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000181521954 333169901 /nfs/dbraw/zinc/16/99/01/333169901.db2.gz RIFKBPZVCFUZKI-OAHLLOKOSA-N 1 0 324.399 4.110 20 30 DIEDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181855222 333172893 /nfs/dbraw/zinc/17/28/93/333172893.db2.gz FWTABFZXSBWDJF-YXJHDRRASA-N 1 0 318.486 4.304 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1cccnc1 ZINC000181868260 333173140 /nfs/dbraw/zinc/17/31/40/333173140.db2.gz ADVOHOHAXVARGE-UZLBHIALSA-N 1 0 323.440 4.074 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000182052193 333175035 /nfs/dbraw/zinc/17/50/35/333175035.db2.gz VXMSKRAUMIXCBR-JXFKEZNVSA-N 1 0 319.408 4.285 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccc(OCC#N)cc1 ZINC000182099512 333175706 /nfs/dbraw/zinc/17/57/06/333175706.db2.gz PGOQFJUDWVMVOU-STQMWFEESA-N 1 0 316.351 4.279 20 30 DIEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000182161731 333176531 /nfs/dbraw/zinc/17/65/31/333176531.db2.gz ZICUBORQOMLTQR-FOIQADDNSA-N 1 0 321.424 4.341 20 30 DIEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C#N)CCC#N ZINC000184948991 333202919 /nfs/dbraw/zinc/20/29/19/333202919.db2.gz GKNFIHHWYSXVAJ-QZTJIDSGSA-N 1 0 323.465 4.373 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000185779553 333213684 /nfs/dbraw/zinc/21/36/84/333213684.db2.gz BQYVOBKJIPYHLD-ZWNOBZJWSA-N 1 0 300.299 4.016 20 30 DIEDRO CC(C)(C)OCc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185807799 333214405 /nfs/dbraw/zinc/21/44/05/333214405.db2.gz GDPBJJKDQOHJFW-YJBOKZPZSA-N 1 0 300.446 4.174 20 30 DIEDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000186150738 333217399 /nfs/dbraw/zinc/21/73/99/333217399.db2.gz BNFJCYSFCVUUCF-KSSFIOAISA-N 1 0 310.397 4.096 20 30 DIEDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000186150773 333217424 /nfs/dbraw/zinc/21/74/24/333217424.db2.gz BNFJCYSFCVUUCF-KBXCAEBGSA-N 1 0 310.397 4.096 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000497263092 333228748 /nfs/dbraw/zinc/22/87/48/333228748.db2.gz RUCPKRJTEZDBPJ-CZUORRHYSA-N 1 0 308.853 4.336 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000514085755 333250564 /nfs/dbraw/zinc/25/05/64/333250564.db2.gz XHRLXGHHKZUROS-SFHVURJKSA-N 1 0 300.446 4.380 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000540397917 333272637 /nfs/dbraw/zinc/27/26/37/333272637.db2.gz NODAHXJNLPVTLI-BZNIZROVSA-N 1 0 314.256 4.219 20 30 DIEDRO CC(C)(C#N)CCC[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191350113 333279687 /nfs/dbraw/zinc/27/96/87/333279687.db2.gz NZCUVYKGOWNQED-UHFFFAOYSA-N 1 0 321.468 4.456 20 30 DIEDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)cc1 ZINC000364328573 333288236 /nfs/dbraw/zinc/28/82/36/333288236.db2.gz DBNITWHXTGHGRD-RBUKOAKNSA-N 1 0 309.457 4.118 20 30 DIEDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000364328572 333288311 /nfs/dbraw/zinc/28/83/11/333288311.db2.gz DBNITWHXTGHGRD-OALUTQOASA-N 1 0 309.457 4.118 20 30 DIEDRO Cc1cccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccn2)c1 ZINC000193062243 333298231 /nfs/dbraw/zinc/29/82/31/333298231.db2.gz WJPWYYLSYYZRMX-HQRMLTQVSA-N 1 0 305.425 4.151 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185384643 335132358 /nfs/dbraw/zinc/13/23/58/335132358.db2.gz HXLMAPQPSVWGIC-INIZCTEOSA-N 1 0 324.468 4.237 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000193294577 333301277 /nfs/dbraw/zinc/30/12/77/333301277.db2.gz CMOFRARCYKZFNR-ORYQWCPZSA-N 1 0 320.436 4.059 20 30 DIEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492609380 333305382 /nfs/dbraw/zinc/30/53/82/333305382.db2.gz SZJKAAVYJQTVDH-SMDDNHRTSA-N 1 0 307.235 4.084 20 30 DIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463233944 333350033 /nfs/dbraw/zinc/35/00/33/333350033.db2.gz FXEWFBZXVUKPBF-XYJFISCASA-N 1 0 300.446 4.344 20 30 DIEDRO CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463295911 333371184 /nfs/dbraw/zinc/37/11/84/333371184.db2.gz QJSQYGOJIDASJM-NVXWUHKLSA-N 1 0 300.446 4.035 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000221938344 333382890 /nfs/dbraw/zinc/38/28/90/333382890.db2.gz FRLVQOOIZWDSHF-LLVKDONJSA-N 1 0 305.365 4.155 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000221945801 333384269 /nfs/dbraw/zinc/38/42/69/333384269.db2.gz PEMWLGYRIDPTQP-CQSZACIVSA-N 1 0 301.455 4.418 20 30 DIEDRO CSc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C#N)c1)CCC2 ZINC000563136628 333395926 /nfs/dbraw/zinc/39/59/26/333395926.db2.gz YYODHTXBAAKTPH-LJQANCHMSA-N 1 0 308.450 4.447 20 30 DIEDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000365551905 333409928 /nfs/dbraw/zinc/40/99/28/333409928.db2.gz FBPHGYRGSBWOBE-QRVBRYPASA-N 1 0 322.456 4.081 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000365616400 333413689 /nfs/dbraw/zinc/41/36/89/333413689.db2.gz ACDATCHKXQJKIX-ZWKOTPCHSA-N 1 0 300.446 4.074 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000337372317 333447567 /nfs/dbraw/zinc/44/75/67/333447567.db2.gz PDVKAXIAVDOSBC-FZMZJTMJSA-N 1 0 310.235 4.217 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000124613832 333497253 /nfs/dbraw/zinc/49/72/53/333497253.db2.gz PWDDWWSLNXQIEO-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCCCC[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000338793811 333498620 /nfs/dbraw/zinc/49/86/20/333498620.db2.gz OJKTXHZWAPIUJB-ROUUACIJSA-N 1 0 301.430 4.114 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000366242788 333507239 /nfs/dbraw/zinc/50/72/39/333507239.db2.gz CGFOGKKPYQDQAE-OAHLLOKOSA-N 1 0 304.409 4.347 20 30 DIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)cs1 ZINC000339066534 333507930 /nfs/dbraw/zinc/50/79/30/333507930.db2.gz FSQZZYZAAVSWBV-RVSPLBMKSA-N 1 0 311.454 4.461 20 30 DIEDRO CC(C)CC[C@H]([NH2+]CCOCCC#N)c1ccc(Cl)cc1 ZINC000339069263 333507976 /nfs/dbraw/zinc/50/79/76/333507976.db2.gz SLFRDDDUILVYGD-KRWDZBQOSA-N 1 0 308.853 4.337 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000563367890 333597362 /nfs/dbraw/zinc/59/73/62/333597362.db2.gz QNVAJOJADVBIGW-DZGCQCFKSA-N 1 0 307.235 4.108 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000467418609 333609333 /nfs/dbraw/zinc/60/93/33/333609333.db2.gz NYFJFRBZYPMHRJ-WFASDCNBSA-N 1 0 318.852 4.234 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000563671393 333653730 /nfs/dbraw/zinc/65/37/30/333653730.db2.gz YRVZIMDTBUCETI-INIZCTEOSA-N 1 0 319.518 4.388 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccnn1C1CCCC1 ZINC000571149331 333669439 /nfs/dbraw/zinc/66/94/39/333669439.db2.gz VLXGNJFVAQRMIY-HXUWFJFHSA-N 1 0 320.440 4.037 20 30 DIEDRO C[C@H](CCC#N)[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000411799634 333706952 /nfs/dbraw/zinc/70/69/52/333706952.db2.gz MNGJAOSEMRSNQC-CQSZACIVSA-N 1 0 308.828 4.379 20 30 DIEDRO N#Cc1c(CN(Cc2ccccc2F)C2CC2)cn2ccccc12 ZINC000343374108 335160163 /nfs/dbraw/zinc/16/01/63/335160163.db2.gz GMSPOOQSBLZTDW-UHFFFAOYSA-N 1 0 319.383 4.115 20 30 DIEDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)CC#N)cnn1-c1cc(C)ccc1C ZINC000414170260 333907362 /nfs/dbraw/zinc/90/73/62/333907362.db2.gz SLYFRUXRKLQWAB-MRXNPFEDSA-N 1 0 324.472 4.388 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(Br)c(F)c1 ZINC000414164498 333915841 /nfs/dbraw/zinc/91/58/41/333915841.db2.gz KFWPPARWXAPMRV-JTQLQIEISA-N 1 0 313.214 4.179 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cc(Br)cs1 ZINC000414165117 333916040 /nfs/dbraw/zinc/91/60/40/333916040.db2.gz LIXILROJDZJOTI-VIFPVBQESA-N 1 0 301.253 4.101 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000414310661 333937260 /nfs/dbraw/zinc/93/72/60/333937260.db2.gz WXKYBXVRRXNDEV-QAPCUYQASA-N 1 0 311.425 4.239 20 30 DIEDRO COCC1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000414316584 333938599 /nfs/dbraw/zinc/93/85/99/333938599.db2.gz URMPAZOLKPICFH-PKUWUEBNSA-N 1 0 312.457 4.121 20 30 DIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000414344348 333942940 /nfs/dbraw/zinc/94/29/40/333942940.db2.gz RJHABZBYOGOQCI-AZOIQLNYSA-N 1 0 324.399 4.160 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000414500597 333999062 /nfs/dbraw/zinc/99/90/62/333999062.db2.gz CDKSKMGKHZMCMQ-UHFFFAOYSA-N 1 0 306.400 4.306 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)C[C@@H](c2ccccc2)C1 ZINC000414508995 334001806 /nfs/dbraw/zinc/00/18/06/334001806.db2.gz DPZNVGHWSYWBRB-CWRNSKLLSA-N 1 0 311.454 4.077 20 30 DIEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)CC(F)(F)F ZINC000414523859 334006873 /nfs/dbraw/zinc/00/68/73/334006873.db2.gz FQWSLUQUEPZWTG-ZDUSSCGKSA-N 1 0 314.351 4.047 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000270662410 334015332 /nfs/dbraw/zinc/01/53/32/334015332.db2.gz PENOPWOQPHHXQO-QGZVFWFLSA-N 1 0 320.864 4.025 20 30 DIEDRO CC(C)[N@H+](Cc1ccco1)Cc1ccc(N(C)CCC#N)cc1 ZINC000271037284 334017661 /nfs/dbraw/zinc/01/76/61/334017661.db2.gz GPHYFXLFOAIHIQ-UHFFFAOYSA-N 1 0 311.429 4.040 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(O)c1 ZINC000271079188 334018268 /nfs/dbraw/zinc/01/82/68/334018268.db2.gz QCWBWKZAWXOKDO-YLZJTPGZSA-N 1 0 320.436 4.447 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CC2)ccc1F ZINC000271800795 334027368 /nfs/dbraw/zinc/02/73/68/334027368.db2.gz XSWHYLBGOLTEHL-FQEVSTJZSA-N 1 0 324.399 4.277 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000271863445 334027694 /nfs/dbraw/zinc/02/76/94/334027694.db2.gz KWOROVQCPUXGQN-GJZGRUSLSA-N 1 0 312.388 4.182 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1cccc(OCc2ccccn2)c1 ZINC000271986655 334029545 /nfs/dbraw/zinc/02/95/45/334029545.db2.gz CPSVIOAZFINDIA-INIZCTEOSA-N 1 0 323.440 4.251 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1C ZINC000273332550 334045344 /nfs/dbraw/zinc/04/53/44/334045344.db2.gz JHPOBRHBKQJLKR-INIZCTEOSA-N 1 0 324.424 4.065 20 30 DIEDRO C[C@H]1C[C@@H](Nc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000273769957 334050905 /nfs/dbraw/zinc/05/09/05/334050905.db2.gz QNNREZFMGUVOCB-UWJYYQICSA-N 1 0 319.452 4.218 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(CC#N)cc2)s1 ZINC000343525914 335174633 /nfs/dbraw/zinc/17/46/33/335174633.db2.gz KOUZBWOAGQPWHP-CQSZACIVSA-N 1 0 313.470 4.273 20 30 DIEDRO N#CCCCC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000273907358 334052998 /nfs/dbraw/zinc/05/29/98/334052998.db2.gz YREUFTNBSMSELI-UHFFFAOYSA-N 1 0 319.246 4.232 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C1 ZINC000274226622 334057438 /nfs/dbraw/zinc/05/74/38/334057438.db2.gz RGLBPCTZXJVYMY-ZYHUDNBSSA-N 1 0 305.834 4.122 20 30 DIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000274574458 334063405 /nfs/dbraw/zinc/06/34/05/334063405.db2.gz BKYYMUHSFQLQCP-YQQAZPJKSA-N 1 0 316.445 4.217 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000274584804 334063574 /nfs/dbraw/zinc/06/35/74/334063574.db2.gz DDKZYGZECQXLLK-HFBAOOFYSA-N 1 0 308.347 4.438 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000275595612 334072133 /nfs/dbraw/zinc/07/21/33/334072133.db2.gz PANQEHWIAKMLDT-MOPGFXCFSA-N 1 0 306.409 4.015 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000275595622 334072134 /nfs/dbraw/zinc/07/21/34/334072134.db2.gz PANQEHWIAKMLDT-RTBURBONSA-N 1 0 306.409 4.015 20 30 DIEDRO C[C@@H](CCC#N)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000276334534 334075737 /nfs/dbraw/zinc/07/57/37/334075737.db2.gz RQSWSEYHDPPYKB-LBPRGKRZSA-N 1 0 317.820 4.353 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000343553918 335171863 /nfs/dbraw/zinc/17/18/63/335171863.db2.gz QNBKLRYCBBKRAY-QGZVFWFLSA-N 1 0 312.413 4.067 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000277787528 334090880 /nfs/dbraw/zinc/09/08/80/334090880.db2.gz SJRVZZSPURTYMP-UHFFFAOYSA-N 1 0 324.472 4.462 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000278599010 334098608 /nfs/dbraw/zinc/09/86/08/334098608.db2.gz DVWCFCYXADROLP-DLBZAZTESA-N 1 0 320.864 4.480 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278609661 334098675 /nfs/dbraw/zinc/09/86/75/334098675.db2.gz MMXNOWDSLWTIKA-NVXWUHKLSA-N 1 0 307.441 4.348 20 30 DIEDRO C[C@H](c1ccsc1)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000278631690 334098916 /nfs/dbraw/zinc/09/89/16/334098916.db2.gz GKCCENCRDCYCQC-MRXNPFEDSA-N 1 0 319.518 4.147 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000278720302 334100451 /nfs/dbraw/zinc/10/04/51/334100451.db2.gz KOXZNBQCVCDLKL-IRXDYDNUSA-N 1 0 322.399 4.104 20 30 DIEDRO COC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000278839931 334101924 /nfs/dbraw/zinc/10/19/24/334101924.db2.gz KROISGARJIUJMJ-MRXNPFEDSA-N 1 0 308.853 4.337 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]CCCCC(C)(C)C#N)cc1OC ZINC000278934408 334103932 /nfs/dbraw/zinc/10/39/32/334103932.db2.gz XOONUTSZAGKYHX-OAHLLOKOSA-N 1 0 318.461 4.383 20 30 DIEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000279651597 334110923 /nfs/dbraw/zinc/11/09/23/334110923.db2.gz BYFZWZTZYSIPSC-VDGAXYAQSA-N 1 0 308.425 4.397 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000280886448 334120888 /nfs/dbraw/zinc/12/08/88/334120888.db2.gz DBOXCNKASIDKIU-ZLPCBKJTSA-N 1 0 318.411 4.416 20 30 DIEDRO N#CC1(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CCOCC1 ZINC000281473926 334126363 /nfs/dbraw/zinc/12/63/63/334126363.db2.gz WCKQECKIHMNYSN-RTBURBONSA-N 1 0 312.457 4.013 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000281569756 334126982 /nfs/dbraw/zinc/12/69/82/334126982.db2.gz CNJSCLHKXGEDDD-UHFFFAOYSA-N 1 0 305.425 4.168 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000281767974 334128283 /nfs/dbraw/zinc/12/82/83/334128283.db2.gz SDSSOXQLSCFLAT-UHFFFAOYSA-N 1 0 311.454 4.230 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281893622 334129321 /nfs/dbraw/zinc/12/93/21/334129321.db2.gz FAIQTLMXYUONEB-LJQANCHMSA-N 1 0 312.457 4.384 20 30 DIEDRO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@@H](c2ccco2)C1 ZINC000281901003 334129543 /nfs/dbraw/zinc/12/95/43/334129543.db2.gz FPMTYISMJPACRY-DLBZAZTESA-N 1 0 316.445 4.153 20 30 DIEDRO N#CC1(CCC[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000281942664 334129754 /nfs/dbraw/zinc/12/97/54/334129754.db2.gz IXGZCMXOFPGUPX-KRWDZBQOSA-N 1 0 318.848 4.187 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)c1 ZINC000281925595 334129830 /nfs/dbraw/zinc/12/98/30/334129830.db2.gz HNXYZQKKIYXUDS-LJQANCHMSA-N 1 0 312.457 4.233 20 30 DIEDRO CC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000281976834 334130126 /nfs/dbraw/zinc/13/01/26/334130126.db2.gz LPNCPOSVJKBSEK-KRWDZBQOSA-N 1 0 322.399 4.106 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1c(F)cccc1Cl ZINC000281999368 334130297 /nfs/dbraw/zinc/13/02/97/334130297.db2.gz NLTAEJKGWJYUMQ-CYBMUJFWSA-N 1 0 324.827 4.230 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)C(C)(C)c1ccccc1 ZINC000282060619 334130968 /nfs/dbraw/zinc/13/09/68/334130968.db2.gz SBXFEXOICPBXRN-QGZVFWFLSA-N 1 0 314.473 4.043 20 30 DIEDRO CC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc(F)ccc1F ZINC000282101349 334131447 /nfs/dbraw/zinc/13/14/47/334131447.db2.gz WBYDOGOSXQPWMG-KRWDZBQOSA-N 1 0 322.399 4.106 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1CCC(C#N)CC1)CC3 ZINC000282211060 334132524 /nfs/dbraw/zinc/13/25/24/334132524.db2.gz HKHHDAUYMVLTIS-OFLPRAFFSA-N 1 0 321.468 4.253 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C1 ZINC000467434872 334154013 /nfs/dbraw/zinc/15/40/13/334154013.db2.gz FZMBWHRDPPKQEE-HRNJWANLSA-N 1 0 306.812 4.397 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000287043159 334156102 /nfs/dbraw/zinc/15/61/02/334156102.db2.gz MJYYNHWMCQPTEV-IPJUCJBFSA-N 1 0 314.498 4.123 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287217703 334156719 /nfs/dbraw/zinc/15/67/19/334156719.db2.gz FWQRGRMSWMDNJK-ZMSDIMECSA-N 1 0 307.397 4.217 20 30 DIEDRO CCCCCCC[C@H]([NH2+]Cc1cnnn1C)c1ccccc1 ZINC000287242644 334156968 /nfs/dbraw/zinc/15/69/68/334156968.db2.gz HJJDMZCQSABKLI-SFHVURJKSA-N 1 0 300.450 4.007 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000290076111 334170791 /nfs/dbraw/zinc/17/07/91/334170791.db2.gz GDVXHHLKPVOXKG-UHFFFAOYSA-N 1 0 321.415 4.046 20 30 DIEDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290318771 334172357 /nfs/dbraw/zinc/17/23/57/334172357.db2.gz CTTKOYMMBBCWRR-HXUWFJFHSA-N 1 0 322.456 4.015 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+]CC(C)(C)CCC#N ZINC000353526976 334173595 /nfs/dbraw/zinc/17/35/95/334173595.db2.gz KMBRWBFOBLZDFR-FOWTUZBSSA-N 1 0 300.446 4.156 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)c1csc(-c2ccccc2F)n1 ZINC000291064259 334176059 /nfs/dbraw/zinc/17/60/59/334176059.db2.gz AMGAXGJPTYRCRH-LBPRGKRZSA-N 1 0 303.406 4.294 20 30 DIEDRO C[N@H+](Cc1ccccc1NC(=O)CCCC#N)C1CCCCC1 ZINC000291057069 334176085 /nfs/dbraw/zinc/17/60/85/334176085.db2.gz CPMWYYRYFHKDSA-UHFFFAOYSA-N 1 0 313.445 4.083 20 30 DIEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C#N)CCC#N ZINC000293159938 334196281 /nfs/dbraw/zinc/19/62/81/334196281.db2.gz UUZQGVSQGHFHTM-AEFFLSMTSA-N 1 0 317.864 4.330 20 30 DIEDRO COC1(C[C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)CCC1 ZINC000340429667 334198537 /nfs/dbraw/zinc/19/85/37/334198537.db2.gz CKGMLLCRCIOPFN-FUHWJXTLSA-N 1 0 300.446 4.359 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000340432356 334199198 /nfs/dbraw/zinc/19/91/98/334199198.db2.gz NDIFNQQORRXLEW-VQTJNVASSA-N 1 0 320.436 4.405 20 30 DIEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CCO1 ZINC000340444271 334203110 /nfs/dbraw/zinc/20/31/10/334203110.db2.gz HWEYPFLZEXJVID-QYZOEREBSA-N 1 0 300.446 4.215 20 30 DIEDRO C[C@H]([NH2+]CCOCCC#N)c1ccc(Cl)c2ccccc21 ZINC000294582870 334211132 /nfs/dbraw/zinc/21/11/32/334211132.db2.gz MSMXTLQDDTZTHM-ZDUSSCGKSA-N 1 0 302.805 4.074 20 30 DIEDRO C[C@@H](c1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1)C(F)(F)F ZINC000294885521 334213995 /nfs/dbraw/zinc/21/39/95/334213995.db2.gz CJJPYPVRJFWFET-ZDUSSCGKSA-N 1 0 310.363 4.478 20 30 DIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295104726 334218660 /nfs/dbraw/zinc/21/86/60/334218660.db2.gz UALUIXOXTUUGPR-YDHLFZDLSA-N 1 0 310.363 4.308 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000295136161 334219592 /nfs/dbraw/zinc/21/95/92/334219592.db2.gz YUYXNQBTRIPSJI-VHBXLISGSA-N 1 0 307.441 4.063 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2ccccc2)cc1 ZINC000296388345 334233404 /nfs/dbraw/zinc/23/34/04/334233404.db2.gz JYMLOGKWBJRBLD-LRQRDZAKSA-N 1 0 320.436 4.457 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000296655836 334235667 /nfs/dbraw/zinc/23/56/67/334235667.db2.gz ZGUXRJCQDIEYBQ-SCVCMEIPSA-N 1 0 312.244 4.309 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1OC(F)F ZINC000296647655 334235715 /nfs/dbraw/zinc/23/57/15/334235715.db2.gz YQNJVSHHDKBZAW-KCQAQPDRSA-N 1 0 308.372 4.411 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000299417470 334255274 /nfs/dbraw/zinc/25/52/74/334255274.db2.gz QWUYKMVKISSUIU-HXUWFJFHSA-N 1 0 307.441 4.277 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)c2ccccc2)cc1 ZINC000299467839 334255446 /nfs/dbraw/zinc/25/54/46/334255446.db2.gz MGNGTDINOSBTDD-UHFFFAOYSA-N 1 0 307.441 4.061 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000299646168 334257012 /nfs/dbraw/zinc/25/70/12/334257012.db2.gz KRIJBRCGXZVCRM-JKSUJKDBSA-N 1 0 321.424 4.282 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000537961567 334266176 /nfs/dbraw/zinc/26/61/76/334266176.db2.gz OUGNWPYJFHKAHB-CQSZACIVSA-N 1 0 315.379 4.209 20 30 DIEDRO C#CCCCCC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000119671286 334284991 /nfs/dbraw/zinc/28/49/91/334284991.db2.gz KBTQHDRUSMDMTK-UHFFFAOYSA-N 1 0 321.424 4.019 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc1OCCCC#N ZINC000120004477 334298499 /nfs/dbraw/zinc/29/84/99/334298499.db2.gz RWKULMGTQQLDIK-WBVHZDCISA-N 1 0 316.445 4.046 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000303809325 334328088 /nfs/dbraw/zinc/32/80/88/334328088.db2.gz YOXMEDPHJQNQFN-WBVHZDCISA-N 1 0 308.400 4.384 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCc2ccccc2CC1 ZINC000532013934 334374637 /nfs/dbraw/zinc/37/46/37/334374637.db2.gz NGDIQODZCJINLC-UHFFFAOYSA-N 1 0 304.437 4.089 20 30 DIEDRO Fc1ccc([C@@H](CC(F)(F)F)[NH2+]CCC(F)(F)F)cc1 ZINC000341572589 334453546 /nfs/dbraw/zinc/45/35/46/334453546.db2.gz JXGDWUKSIULIDP-SNVBAGLBSA-N 1 0 303.221 4.361 20 30 DIEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341710664 334472701 /nfs/dbraw/zinc/47/27/01/334472701.db2.gz NQBIZHBBBHMDLB-YCRPNKLZSA-N 1 0 320.436 4.252 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341711611 334472933 /nfs/dbraw/zinc/47/29/33/334472933.db2.gz OVKJAJZAMHMCJE-FQEVSTJZSA-N 1 0 318.420 4.290 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000341752719 334476810 /nfs/dbraw/zinc/47/68/10/334476810.db2.gz WSOFBSANSDUDFL-UXHICEINSA-N 1 0 306.384 4.352 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1 ZINC000342216186 334522054 /nfs/dbraw/zinc/52/20/54/334522054.db2.gz COQIDNVKYGRBRY-IBGZPJMESA-N 1 0 301.393 4.369 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000342293586 334525552 /nfs/dbraw/zinc/52/55/52/334525552.db2.gz HBCUMBFFDVKGCV-UHFFFAOYSA-N 1 0 323.440 4.080 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCCc4ccc(F)cc43)CC2)c1 ZINC000342790961 334571744 /nfs/dbraw/zinc/57/17/44/334571744.db2.gz NNTOBNJVHRGVAE-IBGZPJMESA-N 1 0 306.384 4.354 20 30 DIEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415962992 334632097 /nfs/dbraw/zinc/63/20/97/334632097.db2.gz QRCQOBVFTVSAIV-UHFFFAOYSA-N 1 0 323.440 4.016 20 30 DIEDRO C=CCC[C@@H](NC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000415982402 334636927 /nfs/dbraw/zinc/63/69/27/334636927.db2.gz LBUCOPGPKJVZQM-LJQANCHMSA-N 1 0 323.440 4.235 20 30 DIEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000416019267 334642513 /nfs/dbraw/zinc/64/25/13/334642513.db2.gz XJVSOHRIQYFXBY-UHFFFAOYSA-N 1 0 323.440 4.016 20 30 DIEDRO N#CCc1cccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000417034807 334690421 /nfs/dbraw/zinc/69/04/21/334690421.db2.gz JPVLGPWQEQEQPA-UHFFFAOYSA-N 1 0 319.452 4.351 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccccc2OC(F)(F)F)ccc1C#N ZINC000443969377 338464718 /nfs/dbraw/zinc/46/47/18/338464718.db2.gz PFNVTNQBQWRHKL-UHFFFAOYSA-N 1 0 320.314 4.055 20 30 DIEDRO COc1ccsc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417362237 334739348 /nfs/dbraw/zinc/73/93/48/334739348.db2.gz JLKGUQCBHAOWLM-LRDDRELGSA-N 1 0 312.438 4.357 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000417372423 334765005 /nfs/dbraw/zinc/76/50/05/334765005.db2.gz WBBSRXUSQAOWRX-VELGLUOQSA-N 1 0 324.468 4.121 20 30 DIEDRO Cc1c(C[NH2+]Cc2ccc(C#N)c(C)c2)oc2ccc(F)cc12 ZINC000443979345 338465239 /nfs/dbraw/zinc/46/52/39/338465239.db2.gz ANRAREFVHYHZKA-UHFFFAOYSA-N 1 0 308.356 4.350 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(F)c1 ZINC000417395217 334835247 /nfs/dbraw/zinc/83/52/47/334835247.db2.gz WALWTTRFFPWBMR-XCLFUZPHSA-N 1 0 324.399 4.434 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000343626412 335182664 /nfs/dbraw/zinc/18/26/64/335182664.db2.gz XCWDDCCITMDNHK-LJQANCHMSA-N 1 0 318.420 4.137 20 30 DIEDRO Cc1nn(C(C)C)cc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000343631232 335183133 /nfs/dbraw/zinc/18/31/33/335183133.db2.gz YIXHJXQYQQZLEG-UHFFFAOYSA-N 1 0 324.472 4.302 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000344014076 335212715 /nfs/dbraw/zinc/21/27/15/335212715.db2.gz KJLKSHDKPBDJQX-SCLBCKFNSA-N 1 0 310.372 4.262 20 30 DIEDRO COc1cccc(C2(F)CC[NH+](CCCC(C)(C)C#N)CC2)c1 ZINC000366863259 335241822 /nfs/dbraw/zinc/24/18/22/335241822.db2.gz GDMNIWSRIUCFQA-UHFFFAOYSA-N 1 0 318.436 4.286 20 30 DIEDRO C[C@H](CC#N)[N@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000345878848 335357654 /nfs/dbraw/zinc/35/76/54/335357654.db2.gz BNBUHSOOUJEFPQ-CYBMUJFWSA-N 1 0 314.351 4.098 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1c(C)noc1C ZINC000346195395 335388941 /nfs/dbraw/zinc/38/89/41/335388941.db2.gz OGDLLJHMPSLXHY-HWPZZCPQSA-N 1 0 301.365 4.104 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)CCC#N)ccc1SC ZINC000348235345 335572456 /nfs/dbraw/zinc/57/24/56/335572456.db2.gz ZJEJBOPSQUCPCI-CYBMUJFWSA-N 1 0 306.475 4.398 20 30 DIEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000323903570 335668366 /nfs/dbraw/zinc/66/83/66/335668366.db2.gz ZJJBFKDWNQBKFW-UTKZUKDTSA-N 1 0 321.468 4.292 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC)CC2CCCCC2)CC1 ZINC000114331224 335793740 /nfs/dbraw/zinc/79/37/40/335793740.db2.gz FBWIOEDPUQYEFN-SFHVURJKSA-N 1 0 320.521 4.140 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccco1 ZINC000572506879 338506461 /nfs/dbraw/zinc/50/64/61/338506461.db2.gz SYOPPNVAAGPFHO-CQSZACIVSA-N 1 0 306.793 4.004 20 30 DIEDRO COc1cccc2c1CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)C2 ZINC000192445972 336032799 /nfs/dbraw/zinc/03/27/99/336032799.db2.gz RJOXQMLEDTYQDK-UYAOXDASSA-N 1 0 320.436 4.187 20 30 DIEDRO Cc1cnc([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)o1 ZINC000332134434 336159953 /nfs/dbraw/zinc/15/99/53/336159953.db2.gz KRSBOLJGLDXYNJ-DMKPSLHHSA-N 1 0 309.413 4.038 20 30 DIEDRO Cc1cnn(CCCCC[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000104101739 336244677 /nfs/dbraw/zinc/24/46/77/336244677.db2.gz TYVLLZZJWGMKPX-UHFFFAOYSA-N 1 0 324.472 4.144 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000532492940 336250710 /nfs/dbraw/zinc/25/07/10/336250710.db2.gz ZOJJXUZUIMDEPJ-OAHLLOKOSA-N 1 0 312.388 4.159 20 30 DIEDRO CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000532590381 336256663 /nfs/dbraw/zinc/25/66/63/336256663.db2.gz WETVWRSXSNDXOH-PZJWPPBQSA-N 1 0 319.452 4.024 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000192774719 336261429 /nfs/dbraw/zinc/26/14/29/336261429.db2.gz NCQHZQYDVSUGSF-SLEUVZQESA-N 1 0 307.235 4.182 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192759153 336260763 /nfs/dbraw/zinc/26/07/63/336260763.db2.gz GBJFUVCQGBSAFM-IVMMDQJWSA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000526990401 336278091 /nfs/dbraw/zinc/27/80/91/336278091.db2.gz LTTICXOFRVWPNN-IYBDPMFKSA-N 1 0 306.409 4.120 20 30 DIEDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000352863260 336282850 /nfs/dbraw/zinc/28/28/50/336282850.db2.gz TXRDFJOECOAZAC-SUMWQHHRSA-N 1 0 311.454 4.031 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000192988594 336286565 /nfs/dbraw/zinc/28/65/65/336286565.db2.gz KDZWPIHEQPSMKH-HOTGVXAUSA-N 1 0 308.425 4.239 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000192988610 336286599 /nfs/dbraw/zinc/28/65/99/336286599.db2.gz KDZWPIHEQPSMKH-CVEARBPZSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000193016804 336287087 /nfs/dbraw/zinc/28/70/87/336287087.db2.gz FQYGPOOXMQHLMM-OBJOEFQTSA-N 1 0 312.335 4.318 20 30 DIEDRO Cc1ccccc1C[NH+]1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000301123537 336291122 /nfs/dbraw/zinc/29/11/22/336291122.db2.gz YGWBZSXXUXHPEW-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO N#Cc1cc(Cl)ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000301209823 336294998 /nfs/dbraw/zinc/29/49/98/336294998.db2.gz UHUMQGWBOAAOCK-INIZCTEOSA-N 1 0 315.804 4.054 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1c(C#N)cnc2ccccc21 ZINC000301355922 336302189 /nfs/dbraw/zinc/30/21/89/336302189.db2.gz KKLDPBOHPGNQFM-MRXNPFEDSA-N 1 0 322.456 4.173 20 30 DIEDRO N#Cc1cc(F)c(NC2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000301469185 336308853 /nfs/dbraw/zinc/30/88/53/336308853.db2.gz HSXUHAOMDOTUFE-UHFFFAOYSA-N 1 0 319.399 4.045 20 30 DIEDRO N#Cc1cccc(Cl)c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000301472582 336309097 /nfs/dbraw/zinc/30/90/97/336309097.db2.gz LAPLLKJMWJGWBT-UHFFFAOYSA-N 1 0 317.864 4.421 20 30 DIEDRO CC(C)[NH+](CCCNc1ccc2cc(C#N)ccc2n1)C(C)C ZINC000301972574 336340659 /nfs/dbraw/zinc/34/06/59/336340659.db2.gz IEPLRBLPOSKNNU-UHFFFAOYSA-N 1 0 310.445 4.027 20 30 DIEDRO N#Cc1ccc2nc(NCCCCC[NH+]3CCCCC3)ccc2c1 ZINC000301982618 336341139 /nfs/dbraw/zinc/34/11/39/336341139.db2.gz QXTIXRBBBBYRNF-UHFFFAOYSA-N 1 0 322.456 4.175 20 30 DIEDRO C=CC[NH+]1CCC(Nc2ccc3c(Cl)ccc(C)c3n2)CC1 ZINC000302018832 336343393 /nfs/dbraw/zinc/34/33/93/336343393.db2.gz DAVRSSMJBBSSQF-UHFFFAOYSA-N 1 0 315.848 4.259 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(CC#N)cc1 ZINC000352923048 336377372 /nfs/dbraw/zinc/37/73/72/336377372.db2.gz TXESWAFGPHUMBO-UHFFFAOYSA-N 1 0 322.456 4.108 20 30 DIEDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000514638489 336387261 /nfs/dbraw/zinc/38/72/61/336387261.db2.gz ARDSQZYKKSRPOL-CYBMUJFWSA-N 1 0 316.392 4.150 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCCc3c(C)ccc(C)c32)ccc1C#N ZINC000353628599 336430027 /nfs/dbraw/zinc/43/00/27/336430027.db2.gz XLOZVLYESPCLGA-LJQANCHMSA-N 1 0 320.436 4.351 20 30 DIEDRO Cc1cccc2ncc(C[NH2+][C@@H](CCCC#N)c3ccccc3)n21 ZINC000353904403 336447262 /nfs/dbraw/zinc/44/72/62/336447262.db2.gz YASXLSCASKMFIC-IBGZPJMESA-N 1 0 318.424 4.168 20 30 DIEDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353911379 336447521 /nfs/dbraw/zinc/44/75/21/336447521.db2.gz BQWSTRJQABZCLH-LJQANCHMSA-N 1 0 324.472 4.070 20 30 DIEDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353916930 336448010 /nfs/dbraw/zinc/44/80/10/336448010.db2.gz RYVNNXVUROMGJQ-UZLBHIALSA-N 1 0 308.425 4.348 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(OCCCC)CC1 ZINC000353948910 336450792 /nfs/dbraw/zinc/45/07/92/336450792.db2.gz YEQCZYKLTKPKHS-UHFFFAOYSA-N 1 0 303.446 4.033 20 30 DIEDRO CC1(C2CC2)CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000356272288 336543722 /nfs/dbraw/zinc/54/37/22/336543722.db2.gz BUFKIVNBLXRFSX-UHFFFAOYSA-N 1 0 312.457 4.381 20 30 DIEDRO C=CCSCC[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000358028810 336607288 /nfs/dbraw/zinc/60/72/88/336607288.db2.gz URLZZYJTEQIUDO-ZDUSSCGKSA-N 1 0 301.402 4.248 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358579563 336635424 /nfs/dbraw/zinc/63/54/24/336635424.db2.gz WSXUCUDRYSWPGE-RBZFPXEDSA-N 1 0 324.399 4.434 20 30 DIEDRO N#CC1CCC(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000367321158 336641385 /nfs/dbraw/zinc/64/13/85/336641385.db2.gz DIKKXAMVNYUOAR-UHFFFAOYSA-N 1 0 304.384 4.130 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](C)OC)c1ccc(C(F)(F)F)cc1 ZINC000360210045 336704655 /nfs/dbraw/zinc/70/46/55/336704655.db2.gz UMGOOHRFFHHPGA-SWLSCSKDSA-N 1 0 301.352 4.337 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](CCO)c1ccccc1 ZINC000360644482 336717170 /nfs/dbraw/zinc/71/71/70/336717170.db2.gz ALMHUJDSHASUPO-LEWJYISDSA-N 1 0 320.436 4.039 20 30 DIEDRO CCC1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCOCC1 ZINC000360656900 336717802 /nfs/dbraw/zinc/71/78/02/336717802.db2.gz LAKOFEFMTQXJMX-IBGZPJMESA-N 1 0 312.457 4.122 20 30 DIEDRO C[C@@H]([NH2+]CCCCCO)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360681468 336718685 /nfs/dbraw/zinc/71/86/85/336718685.db2.gz PYPACPLUTXMWEJ-MRXNPFEDSA-N 1 0 308.425 4.038 20 30 DIEDRO Cc1csc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000360838346 336723896 /nfs/dbraw/zinc/72/38/96/336723896.db2.gz BZUOYWGNWKLQNS-DYVFJYSZSA-N 1 0 311.454 4.442 20 30 DIEDRO C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000360882900 336725545 /nfs/dbraw/zinc/72/55/45/336725545.db2.gz HEXMLVYGVXTFOA-GUXCAODWSA-N 1 0 312.457 4.121 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367818766 336830041 /nfs/dbraw/zinc/83/00/41/336830041.db2.gz JHZSYYLBUJTDDU-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000368960856 336855749 /nfs/dbraw/zinc/85/57/49/336855749.db2.gz RDNKELWRWYOSCE-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO CC(C)c1ncc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418136768 336897021 /nfs/dbraw/zinc/89/70/21/336897021.db2.gz AUIWWHHVYVQFRA-QGZVFWFLSA-N 1 0 311.454 4.305 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1sccc1Cl ZINC000418148986 336897989 /nfs/dbraw/zinc/89/79/89/336897989.db2.gz URDGRJFZJWYTEC-OAHLLOKOSA-N 1 0 302.830 4.440 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)c1cccc(C#N)c1 ZINC000371510153 336906654 /nfs/dbraw/zinc/90/66/54/336906654.db2.gz RWZFMANDHPVZPX-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000582319945 336918951 /nfs/dbraw/zinc/91/89/51/336918951.db2.gz SABJTCWBYWIOEN-UBHSHLNASA-N 1 0 322.239 4.273 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000373118894 336948951 /nfs/dbraw/zinc/94/89/51/336948951.db2.gz VYRQFRRBXNGSAK-IBGZPJMESA-N 1 0 314.473 4.464 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)CC2 ZINC000582389755 336953562 /nfs/dbraw/zinc/95/35/62/336953562.db2.gz BAGOPIJFMHJYNR-NJDAHSKKSA-N 1 0 318.420 4.055 20 30 DIEDRO C[C@H]([NH2+]CC1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374693623 336995193 /nfs/dbraw/zinc/99/51/93/336995193.db2.gz LOXRVKNZXAMVMB-INIZCTEOSA-N 1 0 320.436 4.302 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000375406334 337010723 /nfs/dbraw/zinc/01/07/23/337010723.db2.gz SIBRSIZQLNFGEX-UHFFFAOYSA-N 1 0 312.457 4.228 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCCC3(CCCCC3)C2)CCOCC1 ZINC000375609596 337014516 /nfs/dbraw/zinc/01/45/16/337014516.db2.gz BCGLOWPZJDSTMB-UHFFFAOYSA-N 1 0 304.478 4.133 20 30 DIEDRO COc1cccc(C2(F)CC[NH+](CC(C)(C)CCC#N)CC2)c1 ZINC000375988651 337024745 /nfs/dbraw/zinc/02/47/45/337024745.db2.gz NJHKQFVKTNBBIO-UHFFFAOYSA-N 1 0 318.436 4.286 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000376041918 337025849 /nfs/dbraw/zinc/02/58/49/337025849.db2.gz BKDCDKANUVPJCV-ZWKOTPCHSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1 ZINC000376179129 337029012 /nfs/dbraw/zinc/02/90/12/337029012.db2.gz XSTZZUUNMUPPHQ-IIBYNOLFSA-N 1 0 320.436 4.377 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000376613118 337038082 /nfs/dbraw/zinc/03/80/82/337038082.db2.gz YIRGMVHWNLOMDR-IAGOWNOFSA-N 1 0 307.384 4.131 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000377698823 337058991 /nfs/dbraw/zinc/05/89/91/337058991.db2.gz PSFGZAYQIZLNGL-HXUWFJFHSA-N 1 0 321.424 4.101 20 30 DIEDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000377725659 337059735 /nfs/dbraw/zinc/05/97/35/337059735.db2.gz RBNWSSLIHWJBLL-UHFFFAOYSA-N 1 0 312.457 4.262 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000582621335 337115788 /nfs/dbraw/zinc/11/57/88/337115788.db2.gz MCIGYQQVVRTXCZ-RDJZCZTQSA-N 1 0 323.502 4.266 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000514665447 337143569 /nfs/dbraw/zinc/14/35/69/337143569.db2.gz HICIHCHYZCCVNO-IBGZPJMESA-N 1 0 308.400 4.252 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177858778 337157555 /nfs/dbraw/zinc/15/75/55/337157555.db2.gz IZRSNQTUSBATQH-GOSISDBHSA-N 1 0 314.473 4.016 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000177910355 337158952 /nfs/dbraw/zinc/15/89/52/337158952.db2.gz KXWQRDPUDDGGEL-CYBMUJFWSA-N 1 0 312.379 4.006 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000178143657 337162621 /nfs/dbraw/zinc/16/26/21/337162621.db2.gz FRWIQYFTQOSFKM-KRWDZBQOSA-N 1 0 312.800 4.215 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1cccc(C#N)c1 ZINC000179958292 337172810 /nfs/dbraw/zinc/17/28/10/337172810.db2.gz IMXVNYUSNKZURG-FZKQIMNGSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccc(-c2ccncc2)cc1 ZINC000180931675 337178755 /nfs/dbraw/zinc/17/87/55/337178755.db2.gz KCIMKRZRJSOVJG-OAHLLOKOSA-N 1 0 311.454 4.046 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1cccc(C#N)c1 ZINC000181587001 337183096 /nfs/dbraw/zinc/18/30/96/337183096.db2.gz KFZHYLSCQZXVJU-IERDGZPVSA-N 1 0 313.404 4.393 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1noc2ccccc12 ZINC000583094143 337240009 /nfs/dbraw/zinc/24/00/09/337240009.db2.gz QSNUJRSQLAZUIS-SFHVURJKSA-N 1 0 317.392 4.257 20 30 DIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000186958184 337261810 /nfs/dbraw/zinc/26/18/10/337261810.db2.gz KSWNXMBLLGAPBY-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000187577349 337267060 /nfs/dbraw/zinc/26/70/60/337267060.db2.gz JONQMFPRDXEGAA-APWZRJJASA-N 1 0 322.456 4.084 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000459731232 337276025 /nfs/dbraw/zinc/27/60/25/337276025.db2.gz MYBSADWRGYWYSH-UHFFFAOYSA-N 1 0 315.642 4.132 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191186771 337292835 /nfs/dbraw/zinc/29/28/35/337292835.db2.gz PIGTWBGAUGJUQU-SFHVURJKSA-N 1 0 315.848 4.427 20 30 DIEDRO C=CCCC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000584509579 337351674 /nfs/dbraw/zinc/35/16/74/337351674.db2.gz CZKKZASEHSCOKU-UHFFFAOYSA-N 1 0 320.177 4.106 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000584558968 337361116 /nfs/dbraw/zinc/36/11/16/337361116.db2.gz UVPYZYOIJAQBGT-QFBILLFUSA-N 1 0 324.399 4.132 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)c(C(F)(F)F)c1 ZINC000584583639 337368420 /nfs/dbraw/zinc/36/84/20/337368420.db2.gz MMGBQOZWTMEADB-INIZCTEOSA-N 1 0 308.347 4.342 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)ccc1C#N ZINC000583901443 337384933 /nfs/dbraw/zinc/38/49/33/337384933.db2.gz CNKPUYPCWXASKP-KBXCAEBGSA-N 1 0 306.409 4.213 20 30 DIEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(C)(C)CCC#N)c1 ZINC000120642169 337395955 /nfs/dbraw/zinc/39/59/55/337395955.db2.gz NVDQBMINOGMSQC-KRWDZBQOSA-N 1 0 316.445 4.171 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903617 337396139 /nfs/dbraw/zinc/39/61/39/337396139.db2.gz CZFUPAPNCBDTNI-NVXWUHKLSA-N 1 0 324.428 4.009 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2c3ccc(F)cc3O[C@@H]2C)cc1 ZINC000564116017 337456704 /nfs/dbraw/zinc/45/67/04/337456704.db2.gz VZJVKWBMZOBNSO-BFUOFWGJSA-N 1 0 313.372 4.002 20 30 DIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000245918994 337497884 /nfs/dbraw/zinc/49/78/84/337497884.db2.gz NNQCTWFIWZZMOD-MELADBBJSA-N 1 0 323.362 4.231 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000248916010 337568578 /nfs/dbraw/zinc/56/85/78/337568578.db2.gz WAXULRVSLVJHEH-SUYBPPKGSA-N 1 0 320.383 4.337 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)ccc1C#N ZINC000572023589 337587040 /nfs/dbraw/zinc/58/70/40/337587040.db2.gz KPNIVUMADISZCQ-INIZCTEOSA-N 1 0 308.425 4.343 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1CCC(C#N)CC1 ZINC000572144208 337593780 /nfs/dbraw/zinc/59/37/80/337593780.db2.gz BUDMHIUEGGVTQP-WLYUNCDWSA-N 1 0 306.400 4.205 20 30 DIEDRO CC[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)Oc1cccc(F)c1 ZINC000572327817 337608808 /nfs/dbraw/zinc/60/88/08/337608808.db2.gz ZHXSVYLBUKRPRP-XLIONFOSSA-N 1 0 324.399 4.132 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC(C)(C)CCC#N)C(C)C)c(F)c1 ZINC000421854558 337650260 /nfs/dbraw/zinc/65/02/60/337650260.db2.gz LSCPLOSOPBNBOB-QGZVFWFLSA-N 1 0 306.425 4.451 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC(C)(C)CCC#N)C2CC2)c(F)c1 ZINC000421856404 337650500 /nfs/dbraw/zinc/65/05/00/337650500.db2.gz OMXIPAKPOVQNJB-QGZVFWFLSA-N 1 0 304.409 4.205 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000421877358 337658189 /nfs/dbraw/zinc/65/81/89/337658189.db2.gz KPKIJSQDBGTSAU-KRWDZBQOSA-N 1 0 312.438 4.141 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)c1ccco1 ZINC000278873153 337668124 /nfs/dbraw/zinc/66/81/24/337668124.db2.gz GIDNXBBKPBTJHY-WDSOQIARSA-N 1 0 313.441 4.431 20 30 DIEDRO C[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423028895 337696240 /nfs/dbraw/zinc/69/62/40/337696240.db2.gz HFUUFXLHRYXOHW-ZOCZFRKYSA-N 1 0 319.452 4.016 20 30 DIEDRO C=C(C)[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)c(F)c1 ZINC000423053710 337697444 /nfs/dbraw/zinc/69/74/44/337697444.db2.gz SIPACXITQWVZMG-OTWHNJEPSA-N 1 0 314.379 4.316 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)c(F)c1 ZINC000423340644 337712896 /nfs/dbraw/zinc/71/28/96/337712896.db2.gz BZFSSYBNIGXAHQ-HXPMCKFVSA-N 1 0 309.388 4.008 20 30 DIEDRO C=CCC[C@H]([NH2+]CCSCc1ccccc1C#N)C1CC1 ZINC000536863359 337746981 /nfs/dbraw/zinc/74/69/81/337746981.db2.gz LYLIROLKRDVCJC-SFHVURJKSA-N 1 0 300.471 4.126 20 30 DIEDRO CC1=C[C@H](C)C[C@H](C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C1 ZINC000527813828 337765741 /nfs/dbraw/zinc/76/57/41/337765741.db2.gz XQGOCYXKQYPBPL-LPHOPBHVSA-N 1 0 324.468 4.146 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000424293391 337816535 /nfs/dbraw/zinc/81/65/35/337816535.db2.gz IOVVGUORCWSJLJ-XKQJLSEDSA-N 1 0 321.848 4.043 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)c(Cl)c1 ZINC000424298516 337817209 /nfs/dbraw/zinc/81/72/09/337817209.db2.gz DJGGNKOJNPTVSB-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000424299604 337817372 /nfs/dbraw/zinc/81/73/72/337817372.db2.gz VSDLORKSAFOMDR-XKQJLSEDSA-N 1 0 321.848 4.043 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000424326453 337821363 /nfs/dbraw/zinc/82/13/63/337821363.db2.gz LTKDBZXSLLMBAI-DKSSEZFCSA-N 1 0 310.441 4.061 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)C1 ZINC000424327553 337821444 /nfs/dbraw/zinc/82/14/44/337821444.db2.gz MVIKHENYLABJMM-RYRKJORJSA-N 1 0 310.441 4.495 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000119883657 337867297 /nfs/dbraw/zinc/86/72/97/337867297.db2.gz OQQWQFSWPRMLCC-HXUWFJFHSA-N 1 0 306.409 4.198 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)C1CC1 ZINC000119986959 337868744 /nfs/dbraw/zinc/86/87/44/337868744.db2.gz HFYJFTWQORFPHA-IBGZPJMESA-N 1 0 312.457 4.260 20 30 DIEDRO Cc1ccc(OC2CC[NH+](CC(C)(C)CCC#N)CC2)cc1C ZINC000092096391 337900281 /nfs/dbraw/zinc/90/02/81/337900281.db2.gz XYROSKHWDNYTFD-UHFFFAOYSA-N 1 0 314.473 4.477 20 30 DIEDRO Cc1cccc(C)c1OC[C@H]([NH2+]CCCCC#N)C(C)(C)C ZINC000537221286 337925025 /nfs/dbraw/zinc/92/50/25/337925025.db2.gz UBUYOPQAFIFJJD-KRWDZBQOSA-N 1 0 302.462 4.380 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000537297045 337929174 /nfs/dbraw/zinc/92/91/74/337929174.db2.gz MSGSONUNXYGEEM-INIZCTEOSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000537297410 337929187 /nfs/dbraw/zinc/92/91/87/337929187.db2.gz ZDPYFFIXDDLWLD-KPOBHBOGSA-N 1 0 324.399 4.268 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000537305615 337930002 /nfs/dbraw/zinc/93/00/02/337930002.db2.gz AWYLJURYSBEWLL-UONOGXRCSA-N 1 0 318.852 4.316 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC000537342930 337931648 /nfs/dbraw/zinc/93/16/48/337931648.db2.gz GXYWMKIVSMQNSC-MAUKXSAKSA-N 1 0 323.864 4.198 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc2c(s1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000537406188 337933532 /nfs/dbraw/zinc/93/35/32/337933532.db2.gz DTJRHOHOVBNNHP-GFCCVEGCSA-N 1 0 314.429 4.488 20 30 DIEDRO C[C@@H]([NH2+]CCc1cc2ccccc2o1)c1ccc(C#N)c(F)c1 ZINC000537406770 337933634 /nfs/dbraw/zinc/93/36/34/337933634.db2.gz IQRPBSVQCCATRZ-CYBMUJFWSA-N 1 0 308.356 4.337 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000537408082 337933708 /nfs/dbraw/zinc/93/37/08/337933708.db2.gz VLBVZQGDMLYARE-OWQGQXMQSA-N 1 0 318.436 4.189 20 30 DIEDRO C[C@H](CCc1cccc(F)c1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000516099729 338004541 /nfs/dbraw/zinc/00/45/41/338004541.db2.gz VRXVOHUKXGSROO-OAHLLOKOSA-N 1 0 308.400 4.297 20 30 DIEDRO CCSc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000426301499 338025636 /nfs/dbraw/zinc/02/56/36/338025636.db2.gz DEYPGDUMDSRKAN-IBGZPJMESA-N 1 0 308.450 4.447 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000426312686 338026387 /nfs/dbraw/zinc/02/63/87/338026387.db2.gz QXEYPOSIXWRWHL-MJGOQNOKSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)Cc2ccccc2O1 ZINC000429163563 338072174 /nfs/dbraw/zinc/07/21/74/338072174.db2.gz AFRIRIASZOCBJV-INIZCTEOSA-N 1 0 320.436 4.271 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)Cc2ccccc2O1 ZINC000429163564 338072405 /nfs/dbraw/zinc/07/24/05/338072405.db2.gz AFRIRIASZOCBJV-MRXNPFEDSA-N 1 0 320.436 4.271 20 30 DIEDRO Cc1ccc2c(C[N@@H+](CCC#N)CCC(C)C)ccc(O)c2n1 ZINC000429693698 338087463 /nfs/dbraw/zinc/08/74/63/338087463.db2.gz KNHILMBXDWITKR-UHFFFAOYSA-N 1 0 311.429 4.011 20 30 DIEDRO COc1cc(-c2ccccc2)ccc1C[NH2+]CC1(CC#N)CC1 ZINC000430003449 338093240 /nfs/dbraw/zinc/09/32/40/338093240.db2.gz IQTFHKPILCMSNL-UHFFFAOYSA-N 1 0 306.409 4.146 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000430042842 338094381 /nfs/dbraw/zinc/09/43/81/338094381.db2.gz DDVVROICQAEETF-UHFFFAOYSA-N 1 0 300.402 4.338 20 30 DIEDRO Cc1ccc(COc2ccc(C[NH2+]CC3(CC#N)CC3)cc2)cc1 ZINC000430080963 338094983 /nfs/dbraw/zinc/09/49/83/338094983.db2.gz VYWCKMVYAILPPY-UHFFFAOYSA-N 1 0 320.436 4.358 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)o1 ZINC000430194991 338100754 /nfs/dbraw/zinc/10/07/54/338100754.db2.gz LZODWTLBDYFOEW-INIZCTEOSA-N 1 0 318.829 4.171 20 30 DIEDRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2(CC#N)CC2)cc1F ZINC000430722420 338112354 /nfs/dbraw/zinc/11/23/54/338112354.db2.gz GIBSVRXXXUXSHY-RDJZCZTQSA-N 1 0 316.420 4.144 20 30 DIEDRO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2(CC#N)CC2)cc1F ZINC000430722421 338112446 /nfs/dbraw/zinc/11/24/46/338112446.db2.gz GIBSVRXXXUXSHY-WBVHZDCISA-N 1 0 316.420 4.144 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000430727646 338112527 /nfs/dbraw/zinc/11/25/27/338112527.db2.gz HTKUTZZIJKGFOA-IBGZPJMESA-N 1 0 308.400 4.393 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)c2cccc(Br)c21 ZINC000430739296 338112935 /nfs/dbraw/zinc/11/29/35/338112935.db2.gz HOVXBOIAPHYMJV-FZMZJTMJSA-N 1 0 319.246 4.281 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(SCC(F)F)cc1 ZINC000430749801 338113436 /nfs/dbraw/zinc/11/34/36/338113436.db2.gz LMGRNQNJOCQBKT-GFCCVEGCSA-N 1 0 310.413 4.388 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC2(CC#N)CC2)c2ccccc2)cc1 ZINC000430752476 338113581 /nfs/dbraw/zinc/11/35/81/338113581.db2.gz GQHZGIFZXKZYCP-LJQANCHMSA-N 1 0 306.409 4.068 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)C(c1ccccc1)c1ccccc1 ZINC000430759153 338113989 /nfs/dbraw/zinc/11/39/89/338113989.db2.gz FEXRXQBVVVPVMW-QGZVFWFLSA-N 1 0 304.437 4.490 20 30 DIEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(Br)c1 ZINC000430758300 338113993 /nfs/dbraw/zinc/11/39/93/338113993.db2.gz CFEQGPOJVWLWBU-CQSZACIVSA-N 1 0 307.235 4.184 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000430874416 338117558 /nfs/dbraw/zinc/11/75/58/338117558.db2.gz CTRQNQFUXLBKLG-HIFRSBDPSA-N 1 0 308.347 4.235 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430881786 338117966 /nfs/dbraw/zinc/11/79/66/338117966.db2.gz FKOPLXIXTSCZHF-CABCVRRESA-N 1 0 308.347 4.235 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccccc1 ZINC000433011532 338176183 /nfs/dbraw/zinc/17/61/83/338176183.db2.gz GGMQHTZAHCVHCR-IBGZPJMESA-N 1 0 312.388 4.229 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000433013899 338176321 /nfs/dbraw/zinc/17/63/21/338176321.db2.gz PWUQVWWQXOHFQV-LJQANCHMSA-N 1 0 307.372 4.222 20 30 DIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1 ZINC000433025787 338177082 /nfs/dbraw/zinc/17/70/82/338177082.db2.gz MQHWKXHLMXXMOK-LEWJYISDSA-N 1 0 322.452 4.005 20 30 DIEDRO CN(CC[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433034279 338177471 /nfs/dbraw/zinc/17/74/71/338177471.db2.gz HWLSMUVMCUTZBP-FQEVSTJZSA-N 1 0 307.441 4.148 20 30 DIEDRO CC(=O)Nc1cccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433042107 338177948 /nfs/dbraw/zinc/17/79/48/338177948.db2.gz WXLOSKBUCGKUFI-FQEVSTJZSA-N 1 0 321.424 4.170 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000433313311 338191525 /nfs/dbraw/zinc/19/15/25/338191525.db2.gz VAHFYNNQLSRKLG-QGZVFWFLSA-N 1 0 307.397 4.467 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccccc1Br ZINC000435672062 338244770 /nfs/dbraw/zinc/24/47/70/338244770.db2.gz HFQDLAISQUBUSV-IOASZLSFSA-N 1 0 324.262 4.081 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cccc(C#N)c1 ZINC000435671218 338244851 /nfs/dbraw/zinc/24/48/51/338244851.db2.gz JDGOTLNHZMYQDI-SMNXXWJPSA-N 1 0 312.363 4.433 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000435731239 338246629 /nfs/dbraw/zinc/24/66/29/338246629.db2.gz ITVXVJZYLDQFCY-GOEBONIOSA-N 1 0 313.363 4.085 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000435731563 338246680 /nfs/dbraw/zinc/24/66/80/338246680.db2.gz LSMVBNIBWKQIHG-WFASDCNBSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000435733949 338246776 /nfs/dbraw/zinc/24/67/76/338246776.db2.gz VUGMCPQSBOWYEQ-HNAYVOBHSA-N 1 0 313.397 4.143 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000435737306 338247143 /nfs/dbraw/zinc/24/71/43/338247143.db2.gz GVZHTMDGQFBCMO-WFASDCNBSA-N 1 0 300.229 4.064 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c(F)c1 ZINC000435747930 338247862 /nfs/dbraw/zinc/24/78/62/338247862.db2.gz CBDOVLZQYWKTAL-CZIWCDLHSA-N 1 0 316.326 4.011 20 30 DIEDRO CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CC1 ZINC000154696578 338250489 /nfs/dbraw/zinc/25/04/89/338250489.db2.gz NQZMBEBKSJVJDA-UHFFFAOYSA-N 1 0 322.456 4.086 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000436289789 338266528 /nfs/dbraw/zinc/26/65/28/338266528.db2.gz HHCOQNNEEDRETL-UFYCRDLUSA-N 1 0 301.474 4.133 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000436302323 338267597 /nfs/dbraw/zinc/26/75/97/338267597.db2.gz SWFNCEQRMMDROR-QRFRQXIXSA-N 1 0 317.473 4.353 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000436304106 338267761 /nfs/dbraw/zinc/26/77/61/338267761.db2.gz FUKWHFPXWWTMHY-QRQLOZEOSA-N 1 0 303.421 4.156 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000436302915 338267797 /nfs/dbraw/zinc/26/77/97/338267797.db2.gz ASFLVVITIPNTRK-OBHHBEAMSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000436311437 338268452 /nfs/dbraw/zinc/26/84/52/338268452.db2.gz XOETUYUPYXREGC-PZJWPPBQSA-N 1 0 307.437 4.347 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000436311628 338268561 /nfs/dbraw/zinc/26/85/61/338268561.db2.gz SRDVPNOEFLPFDQ-NDXORKPFSA-N 1 0 322.452 4.380 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CCC)CCc1ccccc1 ZINC000436313944 338268618 /nfs/dbraw/zinc/26/86/18/338268618.db2.gz MNRRJGVDSSWDOR-AQNXPRMDSA-N 1 0 301.474 4.359 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000436315801 338268809 /nfs/dbraw/zinc/26/88/09/338268809.db2.gz QFVHULGTZOETKK-RLLQIKCJSA-N 1 0 315.432 4.332 20 30 DIEDRO Cn1cc(CC[NH2+]Cc2ccc(C#N)cc2)c2ccc(Cl)cc21 ZINC000436400537 338270787 /nfs/dbraw/zinc/27/07/87/338270787.db2.gz OVOKIZFFQFHYCN-UHFFFAOYSA-N 1 0 323.827 4.036 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000437082622 338299800 /nfs/dbraw/zinc/29/98/00/338299800.db2.gz CWEPEEVMBIRGOP-QMTHXVAHSA-N 1 0 302.315 4.325 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000437244614 338304552 /nfs/dbraw/zinc/30/45/52/338304552.db2.gz HCUCHAGTNWQZKT-UFYCRDLUSA-N 1 0 301.474 4.387 20 30 DIEDRO Cc1ccsc1C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437423151 338309720 /nfs/dbraw/zinc/30/97/20/338309720.db2.gz DYGZYRAWHVMVAS-UHFFFAOYSA-N 1 0 322.380 4.162 20 30 DIEDRO CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437441530 338310329 /nfs/dbraw/zinc/31/03/29/338310329.db2.gz WIKSNPQYWZXSTF-UHFFFAOYSA-N 1 0 316.351 4.182 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000438112268 338332410 /nfs/dbraw/zinc/33/24/10/338332410.db2.gz FBVLXCGBGNMPAH-KRWDZBQOSA-N 1 0 310.397 4.277 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)c1 ZINC000438465811 338344670 /nfs/dbraw/zinc/34/46/70/338344670.db2.gz CDSDARNOQCSKHR-OAHLLOKOSA-N 1 0 301.352 4.318 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000438607179 338349803 /nfs/dbraw/zinc/34/98/03/338349803.db2.gz MZRMCGZBNUJCNR-LJQANCHMSA-N 1 0 306.409 4.212 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000438992289 338357865 /nfs/dbraw/zinc/35/78/65/338357865.db2.gz QJQISIWMDHDQBK-YYWHXJBOSA-N 1 0 312.501 4.374 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccccc1-n1nc(C)cc1C)C1CC1 ZINC000438999708 338357986 /nfs/dbraw/zinc/35/79/86/338357986.db2.gz MEBKVIZVKOIBDB-IBGZPJMESA-N 1 0 309.457 4.324 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)C1CC1 ZINC000439010986 338358438 /nfs/dbraw/zinc/35/84/38/338358438.db2.gz ZJSCSOMCJTWFDI-ROUUACIJSA-N 1 0 302.462 4.059 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000439077688 338360344 /nfs/dbraw/zinc/36/03/44/338360344.db2.gz LYEZSQFDZYBXLH-ROUUACIJSA-N 1 0 302.462 4.141 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)C1CC1 ZINC000439081637 338360420 /nfs/dbraw/zinc/36/04/20/338360420.db2.gz XCFQLXCMZVQNKQ-SJORKVTESA-N 1 0 304.503 4.219 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000439431701 338369321 /nfs/dbraw/zinc/36/93/21/338369321.db2.gz NYUICCUTTCZINW-AWEZNQCLSA-N 1 0 317.845 4.048 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)NCc1ccc(C#N)cc1Cl ZINC000439436575 338369460 /nfs/dbraw/zinc/36/94/60/338369460.db2.gz IIFMSTRKCHKICO-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)cc1Cl ZINC000439439505 338369486 /nfs/dbraw/zinc/36/94/86/338369486.db2.gz MJGTZFTUDRPUQB-LBPRGKRZSA-N 1 0 300.789 4.110 20 30 DIEDRO COc1ccc(CN(C)Cc2ccc(C#N)cc2Cl)cc1C ZINC000439444820 338369611 /nfs/dbraw/zinc/36/96/11/338369611.db2.gz BPTFKAHTRYNKEM-UHFFFAOYSA-N 1 0 314.816 4.161 20 30 DIEDRO CC(C)CCOC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439450198 338369843 /nfs/dbraw/zinc/36/98/43/338369843.db2.gz HIWWEPUZDIKUIL-UHFFFAOYSA-N 1 0 320.864 4.239 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)C(C)C ZINC000440477775 338388334 /nfs/dbraw/zinc/38/83/34/338388334.db2.gz ZJCPJBTWUZHLCJ-SFHVURJKSA-N 1 0 312.844 4.382 20 30 DIEDRO CC1(c2ccc(Br)cc2)CC[NH+](CCCC#N)CC1 ZINC000440504765 338388650 /nfs/dbraw/zinc/38/86/50/338388650.db2.gz XTEKLBWCAUIXSB-UHFFFAOYSA-N 1 0 321.262 4.106 20 30 DIEDRO COc1cc(C[NH2+]C(C)(C)c2cccc(Cl)c2)ccc1C#N ZINC000440826585 338398301 /nfs/dbraw/zinc/39/83/01/338398301.db2.gz NNENQONQFDACSW-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]CC1CCC(C#N)CC1 ZINC000441375275 338411028 /nfs/dbraw/zinc/41/10/28/338411028.db2.gz HQXKHHWYZCUKBW-UHFFFAOYSA-N 1 0 308.425 4.268 20 30 DIEDRO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CC[C@H](C#N)C3)s2)cs1 ZINC000442633322 338426404 /nfs/dbraw/zinc/42/64/04/338426404.db2.gz CLJXMNBNCKWFAH-QWHCGFSZSA-N 1 0 317.483 4.004 20 30 DIEDRO COc1ccc(C2(C[NH2+][C@H]3CC[C@@H](C#N)C3)CCCCC2)cc1 ZINC000442765263 338429854 /nfs/dbraw/zinc/42/98/54/338429854.db2.gz IVZQDHFRZIROFX-AEFFLSMTSA-N 1 0 312.457 4.179 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000442782621 338430955 /nfs/dbraw/zinc/43/09/55/338430955.db2.gz LMHWLDVUNMRETK-PBHICJAKSA-N 1 0 302.849 4.434 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000442790754 338431532 /nfs/dbraw/zinc/43/15/32/338431532.db2.gz HNCALPRWOKIYRC-FUHIMQAGSA-N 1 0 308.400 4.391 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442790500 338431555 /nfs/dbraw/zinc/43/15/55/338431555.db2.gz HAGKMEPQMMKLEV-DOMZBBRYSA-N 1 0 308.347 4.019 20 30 DIEDRO CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442825606 338433670 /nfs/dbraw/zinc/43/36/70/338433670.db2.gz LFTFRELYICQDHD-NWANDNLSSA-N 1 0 321.262 4.052 20 30 DIEDRO Cc1cc2c(cc1C)[C@H]([NH2+]CC1CCC(C#N)CC1)CCCO2 ZINC000442868152 338436427 /nfs/dbraw/zinc/43/64/27/338436427.db2.gz MZYXEGMRCAPDME-FAFZWHIHSA-N 1 0 312.457 4.437 20 30 DIEDRO COc1ccccc1[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442876712 338437457 /nfs/dbraw/zinc/43/74/57/338437457.db2.gz QECAZRGROQEHJF-RIFZZMRRSA-N 1 0 306.409 4.066 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1cc2ccccc2o1 ZINC000442886531 338438184 /nfs/dbraw/zinc/43/81/84/338438184.db2.gz PTCVCBXPCPOKOK-CQSZACIVSA-N 1 0 306.365 4.034 20 30 DIEDRO C=CCCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000447430556 338552122 /nfs/dbraw/zinc/55/21/22/338552122.db2.gz HIDFKVZDNRDUON-UHFFFAOYSA-N 1 0 313.363 4.267 20 30 DIEDRO CC[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000447539607 338555418 /nfs/dbraw/zinc/55/54/18/338555418.db2.gz HFJRKBNXJAAQNQ-GOSISDBHSA-N 1 0 300.352 4.120 20 30 DIEDRO CC[C@H]([NH2+]CCCOCCc1ccccc1)c1ccc(C#N)cc1 ZINC000447548344 338556225 /nfs/dbraw/zinc/55/62/25/338556225.db2.gz HAZMFUGEBYXISC-NRFANRHFSA-N 1 0 322.452 4.248 20 30 DIEDRO CC[C@@H]([NH2+]CCCc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447579178 338558521 /nfs/dbraw/zinc/55/85/21/338558521.db2.gz JLECOJVSDGJJAT-HXUWFJFHSA-N 1 0 308.425 4.240 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC1CCC(C)(C#N)CC1 ZINC000449055268 338588757 /nfs/dbraw/zinc/58/87/57/338588757.db2.gz KFKDJELPESBUGH-UHFFFAOYSA-N 1 0 311.473 4.475 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000449075062 338590971 /nfs/dbraw/zinc/59/09/71/338590971.db2.gz MFWIVGYEPLDBLG-KRWDZBQOSA-N 1 0 314.473 4.034 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(C(=O)C(CC)CC)CC1 ZINC000449092512 338592640 /nfs/dbraw/zinc/59/26/40/338592640.db2.gz TUIAZQCZCGWSEO-INIZCTEOSA-N 1 0 308.510 4.138 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000449159326 338597956 /nfs/dbraw/zinc/59/79/56/338597956.db2.gz ZHYINWLTZYAYGS-QGZVFWFLSA-N 1 0 314.473 4.034 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000449176245 338599523 /nfs/dbraw/zinc/59/95/23/338599523.db2.gz QCZSAGHNAYKQHO-NSHDSACASA-N 1 0 306.397 4.429 20 30 DIEDRO Cc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1Br ZINC000449269414 338608499 /nfs/dbraw/zinc/60/84/99/338608499.db2.gz NFIGWKIUWFXZMJ-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000449291836 338610063 /nfs/dbraw/zinc/61/00/63/338610063.db2.gz NXBYCAVMQUODHG-JBLZRFIASA-N 1 0 317.380 4.285 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(OC)c(OC)c1 ZINC000449315520 338612044 /nfs/dbraw/zinc/61/20/44/338612044.db2.gz IKPIIYREMMQRRQ-WUJZJPHMSA-N 1 0 316.445 4.217 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]Cc1nc(C)c(Br)s1 ZINC000449402243 338621180 /nfs/dbraw/zinc/62/11/80/338621180.db2.gz QHMRTCRGWWNZDW-JTQLQIEISA-N 1 0 303.269 4.048 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000449444972 338624575 /nfs/dbraw/zinc/62/45/75/338624575.db2.gz GGTDXFYJCIIOOJ-AAEUAGOBSA-N 1 0 303.456 4.044 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000449446855 338624807 /nfs/dbraw/zinc/62/48/07/338624807.db2.gz UVJFUNJQDMKYLT-ONGXEEELSA-N 1 0 301.192 4.304 20 30 DIEDRO CC(C)CCn1nc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000449488969 338630050 /nfs/dbraw/zinc/63/00/50/338630050.db2.gz MUBUXDBIFOXBCY-DLBZAZTESA-N 1 0 324.472 4.254 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)c(C(F)(F)F)c1 ZINC000449492421 338630734 /nfs/dbraw/zinc/63/07/34/338630734.db2.gz JDNCENUNVRGMCM-LBPRGKRZSA-N 1 0 318.289 4.102 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCCC1 ZINC000449607364 338640609 /nfs/dbraw/zinc/64/06/09/338640609.db2.gz XLNGVPXAVHYZDE-HNNXBMFYSA-N 1 0 306.475 4.221 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)s1 ZINC000449683900 338646113 /nfs/dbraw/zinc/64/61/13/338646113.db2.gz ZLXJOVQDQWFLGB-UHFFFAOYSA-N 1 0 302.830 4.138 20 30 DIEDRO CC(C)N1CCCC[C@@H]1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000451058506 338719845 /nfs/dbraw/zinc/71/98/45/338719845.db2.gz AOOUWSOAPMANKW-UXHICEINSA-N 1 0 313.489 4.274 20 30 DIEDRO CC(C)(C#N)CC[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451150980 338723270 /nfs/dbraw/zinc/72/32/70/338723270.db2.gz UUHGBALQXDWPJK-UHFFFAOYSA-N 1 0 312.335 4.104 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453102098 338794178 /nfs/dbraw/zinc/79/41/78/338794178.db2.gz OTFSITRDSBZGJZ-RHSMWYFYSA-N 1 0 304.503 4.317 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000453191307 338805285 /nfs/dbraw/zinc/80/52/85/338805285.db2.gz FFSGOWOTFVXOCS-AZGBBHLQSA-N 1 0 320.864 4.478 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3c(F)cccc31)CC2 ZINC000453223796 338810141 /nfs/dbraw/zinc/81/01/41/338810141.db2.gz BDOWGLSJBMDOCJ-PMACEKPBSA-N 1 0 306.384 4.352 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1nc(C)c(Br)s1)C1CC1 ZINC000453273385 338817064 /nfs/dbraw/zinc/81/70/64/338817064.db2.gz WAXHATDUCJLZSB-LLVKDONJSA-N 1 0 315.280 4.048 20 30 DIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@H]3CC[C@@H](CC#N)C3)c(C)c2c1 ZINC000453286447 338818806 /nfs/dbraw/zinc/81/88/06/338818806.db2.gz CWAYVXZGCWOAHN-ILXRZTDVSA-N 1 0 312.413 4.483 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000453379538 338835002 /nfs/dbraw/zinc/83/50/02/338835002.db2.gz YTUXEHGOYAFEKT-JSGCOSHPSA-N 1 0 315.429 4.022 20 30 DIEDRO CC1(C)C[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000453420412 338840868 /nfs/dbraw/zinc/84/08/68/338840868.db2.gz LNYHCROHHQHWEH-LPHOPBHVSA-N 1 0 312.457 4.121 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)C)cc1OCCCC#N ZINC000453604903 338850197 /nfs/dbraw/zinc/85/01/97/338850197.db2.gz SKCJNXNQUFOTJQ-HNNXBMFYSA-N 1 0 318.461 4.292 20 30 DIEDRO N#CCSCCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459581926 339037144 /nfs/dbraw/zinc/03/71/44/339037144.db2.gz QSFYMMMZFFRZGY-QGZVFWFLSA-N 1 0 300.471 4.251 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000459640326 339039753 /nfs/dbraw/zinc/03/97/53/339039753.db2.gz QBBGLQCTVIYRDN-MRXNPFEDSA-N 1 0 312.844 4.088 20 30 DIEDRO N#CCC[C@@H](C#N)CN1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459764866 339047249 /nfs/dbraw/zinc/04/72/49/339047249.db2.gz ZRICIYDXIPDONI-PKOBYXMFSA-N 1 0 307.441 4.437 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CCC)CCc2ccccc2)CC1 ZINC000462051284 339071493 /nfs/dbraw/zinc/07/14/93/339071493.db2.gz SZKNETPLMIGCMB-HXUWFJFHSA-N 1 0 314.517 4.418 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2c[nH]c3c2cccc3C)cc1 ZINC000462727366 339085034 /nfs/dbraw/zinc/08/50/34/339085034.db2.gz NSSZMSRJHHBXSK-UHFFFAOYSA-N 1 0 320.436 4.373 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2C)cc1 ZINC000462734943 339085581 /nfs/dbraw/zinc/08/55/81/339085581.db2.gz CIEZMCWGZGJXTC-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)Oc2ccccc2C)c1 ZINC000462738127 339086074 /nfs/dbraw/zinc/08/60/74/339086074.db2.gz KZZBXHXUSHUADT-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO N#Cc1ccc(OCC[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000462770287 339087679 /nfs/dbraw/zinc/08/76/79/339087679.db2.gz XYEVFXHEEPMMGX-UHFFFAOYSA-N 1 0 321.207 4.034 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000462824277 339092450 /nfs/dbraw/zinc/09/24/50/339092450.db2.gz DPLXQTQDMDWIPB-UHFFFAOYSA-N 1 0 321.420 4.004 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000462845989 339093987 /nfs/dbraw/zinc/09/39/87/339093987.db2.gz SHWXBZUYBDFLDB-GZRFBZBPSA-N 1 0 324.399 4.268 20 30 DIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463233941 339110815 /nfs/dbraw/zinc/11/08/15/339110815.db2.gz FXEWFBZXVUKPBF-BQFCYCMXSA-N 1 0 300.446 4.344 20 30 DIEDRO C=CC[C@H](CC)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000463252626 339112259 /nfs/dbraw/zinc/11/22/59/339112259.db2.gz RAIBMXUPEMQARO-AWEZNQCLSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000463252934 339112287 /nfs/dbraw/zinc/11/22/87/339112287.db2.gz YSITWUVLKMNLMI-QGZVFWFLSA-N 1 0 306.881 4.249 20 30 DIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)ccn1 ZINC000463280616 339113126 /nfs/dbraw/zinc/11/31/26/339113126.db2.gz DVKINKGZNBBYPA-XYJFISCASA-N 1 0 315.461 4.067 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463286543 339113375 /nfs/dbraw/zinc/11/33/75/339113375.db2.gz VYGPBPZIFYYRFG-GDBMZVCRSA-N 1 0 306.837 4.089 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000463285352 339113488 /nfs/dbraw/zinc/11/34/88/339113488.db2.gz IVGKCLNNJMCMPG-SJORKVTESA-N 1 0 312.457 4.179 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000463295296 339113824 /nfs/dbraw/zinc/11/38/24/339113824.db2.gz ZODHUJHRKVNQOH-AZUAARDMSA-N 1 0 320.436 4.438 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000463296483 339113956 /nfs/dbraw/zinc/11/39/56/339113956.db2.gz VFTXISPICOUOLA-CABCVRRESA-N 1 0 318.411 4.449 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000463296485 339113988 /nfs/dbraw/zinc/11/39/88/339113988.db2.gz VFTXISPICOUOLA-HUUCEWRRSA-N 1 0 318.411 4.449 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000463402450 339116653 /nfs/dbraw/zinc/11/66/53/339116653.db2.gz GXJCOTKMHCSQFO-DNVCBOLYSA-N 1 0 320.436 4.338 20 30 DIEDRO Cc1oc2ccccc2c1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000463710065 339124275 /nfs/dbraw/zinc/12/42/75/339124275.db2.gz GMFNWNMJTDZMNH-UHFFFAOYSA-N 1 0 308.356 4.084 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC000464852817 339157823 /nfs/dbraw/zinc/15/78/23/339157823.db2.gz MDWFEKRQYDOZDX-QAPCUYQASA-N 1 0 310.397 4.003 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000464855866 339158307 /nfs/dbraw/zinc/15/83/07/339158307.db2.gz HWIVBGSJVGHEQU-YJBOKZPZSA-N 1 0 310.397 4.003 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000466382965 339201654 /nfs/dbraw/zinc/20/16/54/339201654.db2.gz IVVQSOZPALDVLD-AWEZNQCLSA-N 1 0 300.358 4.299 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000466387834 339201899 /nfs/dbraw/zinc/20/18/99/339201899.db2.gz VMLYESKZONFQII-INIZCTEOSA-N 1 0 316.470 4.475 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000466411674 339203249 /nfs/dbraw/zinc/20/32/49/339203249.db2.gz FAQQAWDNLLRFAQ-UHFFFAOYSA-N 1 0 302.377 4.151 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2)c1 ZINC000466415314 339203428 /nfs/dbraw/zinc/20/34/28/339203428.db2.gz FWIZRKIRNXCLQT-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO N#CC1(C[N@@H+]2CCC[C@H](Cc3csc4ccccc34)C2)CC1 ZINC000466937408 339222322 /nfs/dbraw/zinc/22/23/22/339222322.db2.gz DDKJRIUHYUKJGO-OAHLLOKOSA-N 1 0 310.466 4.460 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1cc2ccccc2o1 ZINC000467275431 339229594 /nfs/dbraw/zinc/22/95/94/339229594.db2.gz PTCVCBXPCPOKOK-AWEZNQCLSA-N 1 0 306.365 4.034 20 30 DIEDRO C=CCC[N@@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000467293601 339230159 /nfs/dbraw/zinc/23/01/59/339230159.db2.gz MRIJFCPIBDMLQN-HXUWFJFHSA-N 1 0 322.452 4.491 20 30 DIEDRO C=CCC[N@@H+](C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000467295517 339230329 /nfs/dbraw/zinc/23/03/29/339230329.db2.gz QBIMKZRKZBFIOB-UHFFFAOYSA-N 1 0 321.635 4.093 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000467385374 339235977 /nfs/dbraw/zinc/23/59/77/339235977.db2.gz ZMPMUHHLVFAAPW-UHFFFAOYSA-N 1 0 317.351 4.034 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000467411043 339237097 /nfs/dbraw/zinc/23/70/97/339237097.db2.gz LYGOGGZDRVYJBY-DOMZBBRYSA-N 1 0 318.852 4.234 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000467415717 339237290 /nfs/dbraw/zinc/23/72/90/339237290.db2.gz CFQVXDCOOJJAGR-JSGCOSHPSA-N 1 0 324.852 4.010 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000467414995 339237346 /nfs/dbraw/zinc/23/73/46/339237346.db2.gz XPTMRTNQDKSTLN-CABCVRRESA-N 1 0 301.352 4.337 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000467414412 339237348 /nfs/dbraw/zinc/23/73/48/339237348.db2.gz UMRZVAPOGDVNSP-GDBMZVCRSA-N 1 0 322.880 4.021 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000467415761 339237371 /nfs/dbraw/zinc/23/73/71/339237371.db2.gz COICRVCIRDMRCG-RHSMWYFYSA-N 1 0 322.880 4.021 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000467432927 339238192 /nfs/dbraw/zinc/23/81/92/339238192.db2.gz NNGGRBIFCIJRAI-LEWJYISDSA-N 1 0 304.437 4.102 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000467432928 339238228 /nfs/dbraw/zinc/23/82/28/339238228.db2.gz NNGGRBIFCIJRAI-NHCUHLMSSA-N 1 0 304.437 4.102 20 30 DIEDRO N#Cc1cccc(CC[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC000467437628 339238667 /nfs/dbraw/zinc/23/86/67/339238667.db2.gz IUPMACAGOOCQPN-UHFFFAOYSA-N 1 0 304.437 4.417 20 30 DIEDRO COc1ccc([C@H]([NH2+]CCc2cccc(C#N)c2)C(C)C)cc1 ZINC000467455145 339239735 /nfs/dbraw/zinc/23/97/35/339239735.db2.gz RKMHLMYKOCCQKG-HXUWFJFHSA-N 1 0 308.425 4.096 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000467868036 339248250 /nfs/dbraw/zinc/24/82/50/339248250.db2.gz QUSFXPGQBGTYOH-CQSZACIVSA-N 1 0 303.327 4.408 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468270792 339258178 /nfs/dbraw/zinc/25/81/78/339258178.db2.gz QICCBSKYJAGZTH-DYVFJYSZSA-N 1 0 312.363 4.214 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000468274472 339258508 /nfs/dbraw/zinc/25/85/08/339258508.db2.gz LWTTYDKOOWPCRY-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000468366561 339260737 /nfs/dbraw/zinc/26/07/37/339260737.db2.gz HIAXCXUVRVDYCR-LEWJYISDSA-N 1 0 312.501 4.261 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000469073296 339279387 /nfs/dbraw/zinc/27/93/87/339279387.db2.gz WAQNJODDFMKWEY-INIZCTEOSA-N 1 0 318.852 4.064 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccccc1F ZINC000469136588 339281156 /nfs/dbraw/zinc/28/11/56/339281156.db2.gz UNFMWYAKZFEPBX-UYAOXDASSA-N 1 0 308.400 4.140 20 30 DIEDRO N#Cc1ccccc1CN1CC=C(c2c(F)cccc2F)CC1 ZINC000469785247 339299796 /nfs/dbraw/zinc/29/97/96/339299796.db2.gz AZYVYQKXIDXACA-UHFFFAOYSA-N 1 0 310.347 4.126 20 30 DIEDRO C=CCOCCC[NH+](Cc1cccs1)Cc1cccs1 ZINC000470721969 339326231 /nfs/dbraw/zinc/32/62/31/339326231.db2.gz GDYBFIHVOCDDRF-UHFFFAOYSA-N 1 0 307.484 4.405 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000470790315 339328257 /nfs/dbraw/zinc/32/82/57/339328257.db2.gz RMQFANFUYOHVIA-AWEZNQCLSA-N 1 0 303.402 4.075 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cccc(NC(C)=O)c1 ZINC000470907183 339330799 /nfs/dbraw/zinc/33/07/99/339330799.db2.gz CFAWHCYPIZMHOR-UHFFFAOYSA-N 1 0 308.425 4.223 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000472137998 339364031 /nfs/dbraw/zinc/36/40/31/339364031.db2.gz ICJXLVFQCBAMPR-STQMWFEESA-N 1 0 323.421 4.338 20 30 DIEDRO C[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000472579946 339374168 /nfs/dbraw/zinc/37/41/68/339374168.db2.gz JPLBRXBWBOPURJ-SFHVURJKSA-N 1 0 304.437 4.228 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000472761817 339376981 /nfs/dbraw/zinc/37/69/81/339376981.db2.gz HUKLGWLBUYCNIP-WFASDCNBSA-N 1 0 301.352 4.025 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000472761495 339377021 /nfs/dbraw/zinc/37/70/21/339377021.db2.gz FMAOMFNOAVWMIF-WCQYABFASA-N 1 0 302.245 4.313 20 30 DIEDRO COc1c2ccccc2oc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000473794722 339392337 /nfs/dbraw/zinc/39/23/37/339392337.db2.gz MPRJCRAOCRIILE-ZDUSSCGKSA-N 1 0 306.365 4.164 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cc2cccc(F)c2o1 ZINC000474000297 339396771 /nfs/dbraw/zinc/39/67/71/339396771.db2.gz MEMIHKYLSRXXTK-JTQLQIEISA-N 1 0 300.358 4.356 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474704346 339423032 /nfs/dbraw/zinc/42/30/32/339423032.db2.gz ACXBBAZTGFFCAC-FQEVSTJZSA-N 1 0 314.517 4.446 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000475335144 339447302 /nfs/dbraw/zinc/44/73/02/339447302.db2.gz LXXQMRGZCKDKLY-GOEBONIOSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000477336676 339492692 /nfs/dbraw/zinc/49/26/92/339492692.db2.gz IMYLJYCXQGPXRI-LEWJYISDSA-N 1 0 304.437 4.449 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000477340248 339492748 /nfs/dbraw/zinc/49/27/48/339492748.db2.gz PXWVHFIJODWEEP-SFTDATJTSA-N 1 0 304.437 4.449 20 30 DIEDRO CCC1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCCC1 ZINC000478192241 339509978 /nfs/dbraw/zinc/50/99/78/339509978.db2.gz BNBIZWGPHHJZLY-UHFFFAOYSA-N 1 0 322.456 4.019 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000478388063 339514552 /nfs/dbraw/zinc/51/45/52/339514552.db2.gz TXVKCGOJRKOADS-MRXNPFEDSA-N 1 0 312.413 4.485 20 30 DIEDRO COc1cc2c(N[C@H](C)c3ccc(C#N)cc3)cc[nH+]c2cc1F ZINC000479376441 339532262 /nfs/dbraw/zinc/53/22/62/339532262.db2.gz LYHMQCSGOWFDCZ-GFCCVEGCSA-N 1 0 321.355 4.427 20 30 DIEDRO C=CCCCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000479578643 339541997 /nfs/dbraw/zinc/54/19/97/339541997.db2.gz RKSABTWFECPFRE-UHFFFAOYSA-N 1 0 300.446 4.010 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000480656759 339580204 /nfs/dbraw/zinc/58/02/04/339580204.db2.gz CLKKNTMVYDXVHM-MNOVXSKESA-N 1 0 302.315 4.469 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1sc(C)nc1C)C(C)C ZINC000480755007 339586043 /nfs/dbraw/zinc/58/60/43/339586043.db2.gz LTZGXKSYVFSZJO-WMLDXEAASA-N 1 0 321.534 4.109 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000481383713 339602851 /nfs/dbraw/zinc/60/28/51/339602851.db2.gz SBOPYCYMTSEVDD-UGSOOPFHSA-N 1 0 314.816 4.077 20 30 DIEDRO CC1(C)[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[C@@H]2CCCO[C@H]21 ZINC000481661167 339609060 /nfs/dbraw/zinc/60/90/60/339609060.db2.gz BHQSWTMWJREECD-MTQWCTHYSA-N 1 0 324.468 4.119 20 30 DIEDRO N#Cc1csc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000481820588 339614649 /nfs/dbraw/zinc/61/46/49/339614649.db2.gz SIVQKXWNNPCBNV-UHFFFAOYSA-N 1 0 320.820 4.390 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000482630109 339638046 /nfs/dbraw/zinc/63/80/46/339638046.db2.gz MPAGPIUURHSFEE-SFHVURJKSA-N 1 0 306.881 4.421 20 30 DIEDRO C=CCCCCC[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000482930666 339647236 /nfs/dbraw/zinc/64/72/36/339647236.db2.gz UJBXYAQEJMYXCX-UHFFFAOYSA-N 1 0 301.474 4.111 20 30 DIEDRO C(#Cc1ccccc1)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000483542859 339668620 /nfs/dbraw/zinc/66/86/20/339668620.db2.gz KKYYMBPYCFUFCG-UHFFFAOYSA-N 1 0 314.432 4.399 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CC#Cc2ccccc2)ccc1OC(C)C ZINC000484079529 339680556 /nfs/dbraw/zinc/68/05/56/339680556.db2.gz BCHVAMRYWNNWAT-QGZVFWFLSA-N 1 0 323.436 4.185 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000484084389 339680830 /nfs/dbraw/zinc/68/08/30/339680830.db2.gz UKRYDVSFWFOZPI-AWEZNQCLSA-N 1 0 303.327 4.408 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000484095913 339680953 /nfs/dbraw/zinc/68/09/53/339680953.db2.gz OMKWVNMMAKJZKI-CQSZACIVSA-N 1 0 303.327 4.408 20 30 DIEDRO Oc1cccc2c1CCC[C@@H]2[NH2+]CC#Cc1ccccc1Cl ZINC000484297758 339684208 /nfs/dbraw/zinc/68/42/08/339684208.db2.gz JFCYRVUYLANUQA-SFHVURJKSA-N 1 0 311.812 4.064 20 30 DIEDRO Oc1cccc2c1CCC[C@@H]2[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000484325858 339684939 /nfs/dbraw/zinc/68/49/39/339684939.db2.gz YKGRZLUNPHAWIY-SFHVURJKSA-N 1 0 311.812 4.064 20 30 DIEDRO C=C(C)[C@H]([NH2+]C/C=C\c1ccncc1)c1ccc(F)c(F)c1 ZINC000487577916 339758419 /nfs/dbraw/zinc/75/84/19/339758419.db2.gz WTTOXCZUSKKZGX-JXCVUKRWSA-N 1 0 300.352 4.280 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2c[nH]c3cccc(C)c23)c1 ZINC000488519096 339786457 /nfs/dbraw/zinc/78/64/57/339786457.db2.gz XTWUNBHRAWFDPN-UHFFFAOYSA-N 1 0 320.436 4.373 20 30 DIEDRO CC(C)C[C@H](CNc1ncccc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000495318712 339980692 /nfs/dbraw/zinc/98/06/92/339980692.db2.gz DIXSXCZLBURHAB-QFBILLFUSA-N 1 0 322.456 4.131 20 30 DIEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499607905 340040717 /nfs/dbraw/zinc/04/07/17/340040717.db2.gz CNUNUOJPUPKHSE-SQNIBIBYSA-N 1 0 306.494 4.137 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)[C@H](C)C1CCCCC1 ZINC000499628795 340041668 /nfs/dbraw/zinc/04/16/68/340041668.db2.gz WYJRAGQQELJNPI-DLBZAZTESA-N 1 0 306.494 4.281 20 30 DIEDRO CCC1(CC)CCC[N@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000499705342 340043049 /nfs/dbraw/zinc/04/30/49/340043049.db2.gz BQOFWGIBDMWDMG-UHFFFAOYSA-N 1 0 306.494 4.379 20 30 DIEDRO C=CCOCCC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500165396 340051835 /nfs/dbraw/zinc/05/18/35/340051835.db2.gz GUNIQENECAOBEU-UHFFFAOYSA-N 1 0 311.828 4.193 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000500227644 340053500 /nfs/dbraw/zinc/05/35/00/340053500.db2.gz KTZGSRYXVRCZHO-HXUWFJFHSA-N 1 0 308.400 4.251 20 30 DIEDRO C=CCc1cc(C[NH2+]CCC2CCCCC2)cc(OC)c1O ZINC000500253248 340054097 /nfs/dbraw/zinc/05/40/97/340054097.db2.gz FXAOCMVMPPYXKD-UHFFFAOYSA-N 1 0 303.446 4.189 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc(OC)c1O ZINC000500292666 340054698 /nfs/dbraw/zinc/05/46/98/340054698.db2.gz ULOGAHSLKJFWLZ-CKEIUWERSA-N 1 0 303.446 4.044 20 30 DIEDRO CC[C@@H]1C[C@]1([NH2+]Cc1ccc(C#N)cc1F)c1cccc(C)c1 ZINC000500492858 340060583 /nfs/dbraw/zinc/06/05/83/340060583.db2.gz ABTXSOZTUQFNAQ-YLJYHZDGSA-N 1 0 308.400 4.421 20 30 DIEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2c(F)cc(C#N)cc2F)C1 ZINC000500531763 340061602 /nfs/dbraw/zinc/06/16/02/340061602.db2.gz BYUPEOWOAXTTSQ-ZIAGYGMSSA-N 1 0 321.415 4.006 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)cc(OC)c1O ZINC000500892211 340069301 /nfs/dbraw/zinc/06/93/01/340069301.db2.gz GTOUAXJIVRKGDT-CKEIUWERSA-N 1 0 303.446 4.044 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000501204648 340076091 /nfs/dbraw/zinc/07/60/91/340076091.db2.gz OTXHAUBAEUMYDR-KRWDZBQOSA-N 1 0 310.397 4.277 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000501267391 340077594 /nfs/dbraw/zinc/07/75/94/340077594.db2.gz VXQWQIOYAIGBKT-UHFFFAOYSA-N 1 0 310.397 4.105 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000501533220 340082779 /nfs/dbraw/zinc/08/27/79/340082779.db2.gz INZWMHOIKVXOKN-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502386056 340101273 /nfs/dbraw/zinc/10/12/73/340101273.db2.gz FRPIOQDNDJDPRT-JKSUJKDBSA-N 1 0 305.462 4.278 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502386054 340101339 /nfs/dbraw/zinc/10/13/39/340101339.db2.gz FRPIOQDNDJDPRT-HOTGVXAUSA-N 1 0 305.462 4.278 20 30 DIEDRO COc1cccc([C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502506935 340106245 /nfs/dbraw/zinc/10/62/45/340106245.db2.gz LVDNGQATYMBFDR-INIZCTEOSA-N 1 0 318.420 4.417 20 30 DIEDRO CC[C@@H]1C[C@]1([NH2+]Cc1cc(C#N)ccc1OC)c1cccc(C)c1 ZINC000502505513 340106284 /nfs/dbraw/zinc/10/62/84/340106284.db2.gz BZADKPOVZHPRTH-WIYYLYMNSA-N 1 0 320.436 4.290 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCSc3ccccc3)CC2)cc1 ZINC000502508826 340106378 /nfs/dbraw/zinc/10/63/78/340106378.db2.gz SXSNETNJQYFIBZ-UHFFFAOYSA-N 1 0 320.461 4.440 20 30 DIEDRO C[C@@H]1C[C@]1([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000503381062 340126831 /nfs/dbraw/zinc/12/68/31/340126831.db2.gz ZLPATRIVZPNHGN-AUUYWEPGSA-N 1 0 310.828 4.431 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000503525484 340129758 /nfs/dbraw/zinc/12/97/58/340129758.db2.gz GCBVRBAXPDPCMJ-ZWKOTPCHSA-N 1 0 300.446 4.044 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000479440854 340151604 /nfs/dbraw/zinc/15/16/04/340151604.db2.gz TXBFVCXIAWVWOA-AWEZNQCLSA-N 1 0 321.399 4.348 20 30 DIEDRO C=CCCc1ccccc1NC(=O)N(CCC)CCC[NH+](C)C ZINC000505010775 340158630 /nfs/dbraw/zinc/15/86/30/340158630.db2.gz LRDNMYLLWLHTLA-UHFFFAOYSA-N 1 0 317.477 4.001 20 30 DIEDRO C=CCc1cc(C[N@H+](C)[C@H](C)c2ccccc2)cc(OC)c1O ZINC000506017265 340183478 /nfs/dbraw/zinc/18/34/78/340183478.db2.gz PIYCGBLHFKODRE-OAHLLOKOSA-N 1 0 311.425 4.322 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000506032597 340183933 /nfs/dbraw/zinc/18/39/33/340183933.db2.gz QRTQEEVUELLINK-UHFFFAOYSA-N 1 0 320.436 4.391 20 30 DIEDRO C=CCOc1ccc(C[N@H+](Cc2cccnc2)C(C)(C)C)cc1 ZINC000506046295 340184147 /nfs/dbraw/zinc/18/41/47/340184147.db2.gz UHSMDGIUAZXKCL-UHFFFAOYSA-N 1 0 310.441 4.447 20 30 DIEDRO C=CCc1cc(C[N@H+](C)Cc2sccc2C)cc(OC)c1O ZINC000506063582 340184805 /nfs/dbraw/zinc/18/48/05/340184805.db2.gz ISKQHRSMDAAGJT-UHFFFAOYSA-N 1 0 317.454 4.131 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)C2CCCC2)ccc1OC ZINC000506276696 340190804 /nfs/dbraw/zinc/19/08/04/340190804.db2.gz DIMQLRMWTVOSOH-OAHLLOKOSA-N 1 0 303.446 4.318 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1OC(F)(F)F ZINC000506339490 340192716 /nfs/dbraw/zinc/19/27/16/340192716.db2.gz HDGLGHKFTDJNAJ-UHFFFAOYSA-N 1 0 320.314 4.089 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506497068 340195740 /nfs/dbraw/zinc/19/57/40/340195740.db2.gz UGZTYJPDGJDXKR-INIZCTEOSA-N 1 0 308.425 4.020 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C2CC2)cc1 ZINC000506545064 340196466 /nfs/dbraw/zinc/19/64/66/340196466.db2.gz IFOAMJXGZLSJGH-PZJWPPBQSA-N 1 0 302.421 4.326 20 30 DIEDRO COc1ccccc1/C=C\C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000506553193 340196676 /nfs/dbraw/zinc/19/66/76/340196676.db2.gz VTLHSNISQLWZDM-XQRVVYSFSA-N 1 0 318.420 4.245 20 30 DIEDRO C=CCc1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)cc(OC)c1O ZINC000506690453 340199756 /nfs/dbraw/zinc/19/97/56/340199756.db2.gz RMEZIDIOHMJQGG-LJQANCHMSA-N 1 0 323.436 4.249 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH]ccc21 ZINC000507174541 340211220 /nfs/dbraw/zinc/21/12/20/340211220.db2.gz SBIGLPJKOFETQU-UHFFFAOYSA-N 1 0 303.409 4.450 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507189114 340211877 /nfs/dbraw/zinc/21/18/77/340211877.db2.gz INCAGIFUWYCHNV-ATVHPVEESA-N 1 0 320.436 4.240 20 30 DIEDRO COc1ccc2ccccc2c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507196893 340212654 /nfs/dbraw/zinc/21/26/54/340212654.db2.gz YVVNOMIYRCLBPL-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000507201705 340213070 /nfs/dbraw/zinc/21/30/70/340213070.db2.gz HGZCYKGYXBYMSM-NSHDSACASA-N 1 0 308.303 4.363 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCCOC1 ZINC000507495359 340222770 /nfs/dbraw/zinc/22/27/70/340222770.db2.gz LUZYVQPNMTUYMJ-UZLBHIALSA-N 1 0 320.436 4.130 20 30 DIEDRO CCCC[C@H](COC)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507644616 340227097 /nfs/dbraw/zinc/22/70/97/340227097.db2.gz NDLBVUYGNPVQGZ-IOJLRTSASA-N 1 0 314.473 4.185 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2CCSCC2)CC1 ZINC000507645751 340227109 /nfs/dbraw/zinc/22/71/09/340227109.db2.gz SOPZZKYWZCCURT-UHFFFAOYSA-N 1 0 314.498 4.123 20 30 DIEDRO CC[N@H+](CCOc1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000507699626 340228648 /nfs/dbraw/zinc/22/86/48/340228648.db2.gz DDMYCDNMEUUWRX-MRXNPFEDSA-N 1 0 324.424 4.029 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000507722245 340229564 /nfs/dbraw/zinc/22/95/64/340229564.db2.gz JFPYXZHZVJYFTO-UHFFFAOYSA-N 1 0 320.436 4.391 20 30 DIEDRO CC[C@H]1C[C@H](C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)CCO1 ZINC000507796757 340231958 /nfs/dbraw/zinc/23/19/58/340231958.db2.gz QGXZKILDXQKLOA-UXHICEINSA-N 1 0 314.473 4.221 20 30 DIEDRO CC[C@@H]1C[C@H](C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)CCO1 ZINC000507796759 340231973 /nfs/dbraw/zinc/23/19/73/340231973.db2.gz QGXZKILDXQKLOA-WOJBJXKFSA-N 1 0 314.473 4.221 20 30 DIEDRO CC[N@H+](Cc1sccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000508605737 340247824 /nfs/dbraw/zinc/24/78/24/340247824.db2.gz SHHGQSLBMHZQLK-ZDUSSCGKSA-N 1 0 300.427 4.211 20 30 DIEDRO CC[N@H+](Cc1sccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000508605734 340247858 /nfs/dbraw/zinc/24/78/58/340247858.db2.gz SHHGQSLBMHZQLK-CYBMUJFWSA-N 1 0 300.427 4.211 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000508674200 340250225 /nfs/dbraw/zinc/25/02/25/340250225.db2.gz YDFMOVJEMYRJNN-LJQANCHMSA-N 1 0 318.424 4.179 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000508709741 340251223 /nfs/dbraw/zinc/25/12/23/340251223.db2.gz OSCSWCJBHOBPIQ-UHFFFAOYSA-N 1 0 305.425 4.399 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000086584632 340252635 /nfs/dbraw/zinc/25/26/35/340252635.db2.gz PENMRELJUSZVIT-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C=C(C)CC[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000508963202 340256334 /nfs/dbraw/zinc/25/63/34/340256334.db2.gz MDONFLGUCDXBKO-LJQANCHMSA-N 1 0 323.415 4.473 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000508963199 340256385 /nfs/dbraw/zinc/25/63/85/340256385.db2.gz MDONFLGUCDXBKO-IBGZPJMESA-N 1 0 323.415 4.473 20 30 DIEDRO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000509009062 340258100 /nfs/dbraw/zinc/25/81/00/340258100.db2.gz WSOOKDJNBJYNMQ-CZUORRHYSA-N 1 0 324.262 4.177 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000509119226 340261667 /nfs/dbraw/zinc/26/16/67/340261667.db2.gz BHICRTGRMPKRGN-LJQANCHMSA-N 1 0 305.425 4.219 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000509440635 340269544 /nfs/dbraw/zinc/26/95/44/340269544.db2.gz YLNOVGYTFAKOQA-UHFFFAOYSA-N 1 0 308.400 4.185 20 30 DIEDRO CCn1c2ccccc2c2cc(CN(C)C[C@H](C)C#N)ccc21 ZINC000509798836 340279305 /nfs/dbraw/zinc/27/93/05/340279305.db2.gz KIIOIOOSLAJUSN-OAHLLOKOSA-N 1 0 305.425 4.406 20 30 DIEDRO C=C(C)C[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000510319274 340295854 /nfs/dbraw/zinc/29/58/54/340295854.db2.gz LWMNJWKAGZNXJQ-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cc(C#N)cs1 ZINC000510419794 340298872 /nfs/dbraw/zinc/29/88/72/340298872.db2.gz ALLRPUJRFATUQA-UHFFFAOYSA-N 1 0 320.845 4.174 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510649894 340305011 /nfs/dbraw/zinc/30/50/11/340305011.db2.gz ILKJXONKFMBDSG-YJBOKZPZSA-N 1 0 320.477 4.299 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2ccccc2)cc1Cl ZINC000303166256 340308161 /nfs/dbraw/zinc/30/81/61/340308161.db2.gz IMJVOVCMJXJEGB-UHFFFAOYSA-N 1 0 301.817 4.237 20 30 DIEDRO C=C(C)CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000510759982 340310131 /nfs/dbraw/zinc/31/01/31/340310131.db2.gz ASUFPCFXTFSOIO-UHFFFAOYSA-N 1 0 313.363 4.267 20 30 DIEDRO C=CCC[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510770946 340310399 /nfs/dbraw/zinc/31/03/99/340310399.db2.gz RCCIKVUFURIILP-INIZCTEOSA-N 1 0 317.477 4.338 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000510942699 340315689 /nfs/dbraw/zinc/31/56/89/340315689.db2.gz FGCPRHFKSVWNPB-AEFFLSMTSA-N 1 0 315.461 4.017 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000510942700 340315727 /nfs/dbraw/zinc/31/57/27/340315727.db2.gz FGCPRHFKSVWNPB-FUHWJXTLSA-N 1 0 315.461 4.017 20 30 DIEDRO C=CCOCCC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511144267 340322210 /nfs/dbraw/zinc/32/22/10/340322210.db2.gz JQYSPHKVCVCQAF-GOSISDBHSA-N 1 0 309.400 4.141 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000511837140 340339661 /nfs/dbraw/zinc/33/96/61/340339661.db2.gz CMXUVWHIYFHCSO-NJYVYQBISA-N 1 0 302.421 4.326 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ncccc1C(F)(F)F ZINC000512029206 340345930 /nfs/dbraw/zinc/34/59/30/340345930.db2.gz APFRWIPZOBAHRF-UHFFFAOYSA-N 1 0 320.358 4.331 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(C)cc1Cl ZINC000512181143 340351304 /nfs/dbraw/zinc/35/13/04/340351304.db2.gz PDVGGFXLUCMFDR-UHFFFAOYSA-N 1 0 319.832 4.312 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)CCc1ccccc1 ZINC000512224832 340352980 /nfs/dbraw/zinc/35/29/80/340352980.db2.gz CNVULXKWGKOZGW-QGZVFWFLSA-N 1 0 313.441 4.171 20 30 DIEDRO Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)c1ccc(C#N)cc1F ZINC000512288380 340355579 /nfs/dbraw/zinc/35/55/79/340355579.db2.gz NKRLHDIWZPXJHM-AWEZNQCLSA-N 1 0 311.404 4.241 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512292466 340355735 /nfs/dbraw/zinc/35/57/35/340355735.db2.gz PQDKHCACHFCPNV-HNNXBMFYSA-N 1 0 306.409 4.292 20 30 DIEDRO CCOc1ccccc1C1=CC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000512374759 340359306 /nfs/dbraw/zinc/35/93/06/340359306.db2.gz IKEGOIMIRASJAU-UHFFFAOYSA-N 1 0 318.420 4.246 20 30 DIEDRO C[C@H](c1cc(F)ccc1F)N(C)Cc1cccc(C#N)c1F ZINC000512402819 340360776 /nfs/dbraw/zinc/36/07/76/340360776.db2.gz HZVQOWHPPFHZNZ-LLVKDONJSA-N 1 0 304.315 4.169 20 30 DIEDRO CC[N@H+](CCC(=O)c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000512449049 340362393 /nfs/dbraw/zinc/36/23/93/340362393.db2.gz AZKPXWJSRGEDPX-OAHLLOKOSA-N 1 0 324.399 4.353 20 30 DIEDRO COc1ccc(CC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000512610084 340368750 /nfs/dbraw/zinc/36/87/50/340368750.db2.gz VSVYMCXDKPLXHM-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(C#N)cc1F ZINC000512614198 340369089 /nfs/dbraw/zinc/36/90/89/340369089.db2.gz VCIAJPSWOHWIGP-CYBMUJFWSA-N 1 0 307.372 4.072 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512620074 340369389 /nfs/dbraw/zinc/36/93/89/340369389.db2.gz OTOLUXVGJVVSMD-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512619867 340369448 /nfs/dbraw/zinc/36/94/48/340369448.db2.gz NOPHSWXIGQRCIV-AWEZNQCLSA-N 1 0 312.388 4.085 20 30 DIEDRO Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(C#N)cc3F)c21 ZINC000512626347 340369676 /nfs/dbraw/zinc/36/96/76/340369676.db2.gz TXMPIKJMJKEWDT-AWEZNQCLSA-N 1 0 321.399 4.380 20 30 DIEDRO C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(C#N)cc1F ZINC000512643993 340370648 /nfs/dbraw/zinc/37/06/48/340370648.db2.gz ZBFNVHFYRIDBIA-OAHLLOKOSA-N 1 0 321.399 4.393 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512641876 340370669 /nfs/dbraw/zinc/37/06/69/340370669.db2.gz KTOGSJDFWGYGNO-OLZOCXBDSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512641878 340370685 /nfs/dbraw/zinc/37/06/85/340370685.db2.gz KTOGSJDFWGYGNO-STQMWFEESA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(C#N)cc1F ZINC000512654472 340371343 /nfs/dbraw/zinc/37/13/43/340371343.db2.gz MMPZDWQRLOOSIJ-ZDUSSCGKSA-N 1 0 312.363 4.219 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)o1 ZINC000512661184 340371776 /nfs/dbraw/zinc/37/17/76/340371776.db2.gz QHEBCRXMOHQURP-TZMCWYRMSA-N 1 0 300.377 4.271 20 30 DIEDRO N#CC1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000512709809 340373825 /nfs/dbraw/zinc/37/38/25/340373825.db2.gz GSTAIZNAPALUSN-UHFFFAOYSA-N 1 0 312.457 4.381 20 30 DIEDRO C=C(C)COc1cccc(NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000512813538 340378860 /nfs/dbraw/zinc/37/88/60/340378860.db2.gz HSGDQDBOCGJYLB-UHFFFAOYSA-N 1 0 302.462 4.316 20 30 DIEDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000513071489 340391998 /nfs/dbraw/zinc/39/19/98/340391998.db2.gz YBPYZEBFRUYKSB-YWZLYKJASA-N 1 0 306.409 4.025 20 30 DIEDRO C[C@@H]1SCC[N@H+](CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000174868200 340397878 /nfs/dbraw/zinc/39/78/78/340397878.db2.gz KISZIUORVBBWAB-DOTOQJQBSA-N 1 0 302.487 4.495 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000513442439 340407830 /nfs/dbraw/zinc/40/78/30/340407830.db2.gz GWAHNTVINHMOHC-HKLFFYFNSA-N 1 0 305.849 4.157 20 30 DIEDRO N#Cc1c(NC2CC[NH+](C3CCCC3)CC2)cccc1C(F)F ZINC000517176002 340464994 /nfs/dbraw/zinc/46/49/94/340464994.db2.gz KTTJHOWZYBJTKC-UHFFFAOYSA-N 1 0 319.399 4.315 20 30 DIEDRO COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185825074 340505760 /nfs/dbraw/zinc/50/57/60/340505760.db2.gz AEIUBURNSOOYFG-DJPFJPOOSA-N 1 0 320.436 4.457 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000185875010 340506198 /nfs/dbraw/zinc/50/61/98/340506198.db2.gz ZOAVTZVODGNXAH-OCCSQVGLSA-N 1 0 306.812 4.183 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000185886018 340506207 /nfs/dbraw/zinc/50/62/07/340506207.db2.gz LFDYPJJHGYSBRF-GOEBONIOSA-N 1 0 317.502 4.405 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000185886055 340506284 /nfs/dbraw/zinc/50/62/84/340506284.db2.gz LFDYPJJHGYSBRF-GDBMZVCRSA-N 1 0 317.502 4.405 20 30 DIEDRO C=CCc1cc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O ZINC000523526950 340627832 /nfs/dbraw/zinc/62/78/32/340627832.db2.gz BOWINAZGBADLTC-ZIAGYGMSSA-N 1 0 303.446 4.044 20 30 DIEDRO C=CC1CC[NH+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000523605743 340629519 /nfs/dbraw/zinc/62/95/19/340629519.db2.gz OXFGVFPRHVHHBI-ZDUSSCGKSA-N 1 0 315.392 4.143 20 30 DIEDRO C=CC1CC[NH+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000523605638 340629595 /nfs/dbraw/zinc/62/95/95/340629595.db2.gz GTBPIOKUEXKLOT-ZDUSSCGKSA-N 1 0 315.392 4.143 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000234938552 340655221 /nfs/dbraw/zinc/65/52/21/340655221.db2.gz DBAHBLZCOFRQGB-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO N#Cc1cc(F)ccc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397667120 340713601 /nfs/dbraw/zinc/71/36/01/340713601.db2.gz GHILARGCZTXELO-UHFFFAOYSA-N 1 0 323.415 4.021 20 30 DIEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000529679631 340767703 /nfs/dbraw/zinc/76/77/03/340767703.db2.gz SJFBKNKIJIASFX-YLJYHZDGSA-N 1 0 324.468 4.146 20 30 DIEDRO CC(C)(C#N)CC[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000530394311 340790306 /nfs/dbraw/zinc/79/03/06/340790306.db2.gz QKDBESOHDCXHDZ-UHFFFAOYSA-N 1 0 314.351 4.350 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(Br)s1)C1CC1 ZINC000125301286 340803413 /nfs/dbraw/zinc/80/34/13/340803413.db2.gz CGRRTYIPWYHFNB-LBPRGKRZSA-N 1 0 300.265 4.345 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(Br)cs1)C1CC1 ZINC000125292807 340803438 /nfs/dbraw/zinc/80/34/38/340803438.db2.gz IOKLAHFYRSIIMK-CYBMUJFWSA-N 1 0 300.265 4.345 20 30 DIEDRO N#CC1(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000538389375 340819855 /nfs/dbraw/zinc/81/98/55/340819855.db2.gz SANWWWUQLMQOID-OAHLLOKOSA-N 1 0 319.246 4.184 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000539138145 340874718 /nfs/dbraw/zinc/87/47/18/340874718.db2.gz CGBKPLOIMCPUKJ-CYBMUJFWSA-N 1 0 319.433 4.328 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000539221462 340877208 /nfs/dbraw/zinc/87/72/08/340877208.db2.gz WXSBYUZMHDSXAX-QGZVFWFLSA-N 1 0 317.473 4.421 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1F ZINC000539242163 340878082 /nfs/dbraw/zinc/87/80/82/340878082.db2.gz ZZWNAHILKDAOJP-ZDUSSCGKSA-N 1 0 317.791 4.190 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000539297496 340879817 /nfs/dbraw/zinc/87/98/17/340879817.db2.gz FANLRDNYTCSRHI-ZJUUUORDSA-N 1 0 322.663 4.482 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000539298667 340879949 /nfs/dbraw/zinc/87/99/49/340879949.db2.gz JZQXDMGPYUKQFR-MSOLQXFVSA-N 1 0 315.482 4.115 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000539298669 340879995 /nfs/dbraw/zinc/87/99/95/340879995.db2.gz JZQXDMGPYUKQFR-ROUUACIJSA-N 1 0 315.482 4.115 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(=O)OC)oc1C)c1ccccc1 ZINC000539360868 340882508 /nfs/dbraw/zinc/88/25/08/340882508.db2.gz ARWCKQZPIOFJJL-QGZVFWFLSA-N 1 0 313.397 4.172 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000539381298 340883164 /nfs/dbraw/zinc/88/31/64/340883164.db2.gz RCQASPXWKMXCSW-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2cccc(C#N)c2F)C2CC2)ccc1F ZINC000539424740 340884979 /nfs/dbraw/zinc/88/49/79/340884979.db2.gz MYUDXSQODYWWHR-LJQANCHMSA-N 1 0 312.363 4.386 20 30 DIEDRO C[C@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000539496974 340887614 /nfs/dbraw/zinc/88/76/14/340887614.db2.gz WQTPQDDXROZJKZ-HNNXBMFYSA-N 1 0 308.400 4.371 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000539498083 340887793 /nfs/dbraw/zinc/88/77/93/340887793.db2.gz FNKAJJVYWDVADH-CYBMUJFWSA-N 1 0 318.342 4.470 20 30 DIEDRO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Oc1ccccc1Cl ZINC000539506483 340888213 /nfs/dbraw/zinc/88/82/13/340888213.db2.gz IRKNYMDRPIVRDH-ZIAGYGMSSA-N 1 0 314.816 4.330 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000539610100 340892601 /nfs/dbraw/zinc/89/26/01/340892601.db2.gz PUAGUQJPERWVOS-TZMCWYRMSA-N 1 0 300.377 4.271 20 30 DIEDRO COc1ccc(C2([NH2+][C@H](C)c3ccc(C#N)c(F)c3)CC2)cc1 ZINC000539624177 340893190 /nfs/dbraw/zinc/89/31/90/340893190.db2.gz HOFUJCCORYXZOP-CYBMUJFWSA-N 1 0 310.372 4.046 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000540179997 340921148 /nfs/dbraw/zinc/92/11/48/340921148.db2.gz NYFCEGKZQNJNHW-CYBMUJFWSA-N 1 0 307.388 4.308 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540342384 340927387 /nfs/dbraw/zinc/92/73/87/340927387.db2.gz BBEPBSYAHIKGBB-ZJUUUORDSA-N 1 0 306.208 4.110 20 30 DIEDRO CCCCCOc1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC000540994367 340954957 /nfs/dbraw/zinc/95/49/57/340954957.db2.gz SGGKITFZMSXCER-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](SC)C(C)(C)C)cc1OC ZINC000541381287 340968854 /nfs/dbraw/zinc/96/88/54/340968854.db2.gz YVNXLJOLHVVTTA-QGZVFWFLSA-N 1 0 323.502 4.127 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542184508 340998728 /nfs/dbraw/zinc/99/87/28/340998728.db2.gz BKCTWAVIQOJOKP-YWZLYKJASA-N 1 0 306.409 4.055 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542184500 340998844 /nfs/dbraw/zinc/99/88/44/340998844.db2.gz BKCTWAVIQOJOKP-FOIQADDNSA-N 1 0 306.409 4.055 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(CC#N)cc1)[C@H]2C ZINC000542256928 341002297 /nfs/dbraw/zinc/00/22/97/341002297.db2.gz CIVFASBJLUPBMR-CVEARBPZSA-N 1 0 320.436 4.269 20 30 DIEDRO CC[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000542279416 341003353 /nfs/dbraw/zinc/00/33/53/341003353.db2.gz VFQOPXQXBNQIGJ-KRWDZBQOSA-N 1 0 322.452 4.214 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000542551173 341013214 /nfs/dbraw/zinc/01/32/14/341013214.db2.gz XYCOYUWBWWDLKZ-FQEVSTJZSA-N 1 0 310.416 4.249 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000542561970 341013757 /nfs/dbraw/zinc/01/37/57/341013757.db2.gz FJVYGLGXCLUJHO-MJBXVCDLSA-N 1 0 315.379 4.114 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000130393486 341020754 /nfs/dbraw/zinc/02/07/54/341020754.db2.gz RBCQBIBFSGIDRB-FQEVSTJZSA-N 1 0 316.408 4.007 20 30 DIEDRO CC(C)OCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942363 341027018 /nfs/dbraw/zinc/02/70/18/341027018.db2.gz PSFJUBZTRTYXQQ-INIZCTEOSA-N 1 0 308.425 4.301 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Br)cs1)c1cccc(C#N)c1 ZINC000071307830 341028728 /nfs/dbraw/zinc/02/87/28/341028728.db2.gz JIAUEOYFYJQEOZ-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033906 341028925 /nfs/dbraw/zinc/02/89/25/341028925.db2.gz RWVKBZGARFZCBS-FOIQADDNSA-N 1 0 308.425 4.301 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]C1CC(c2ccccc2)C1 ZINC000543067802 341030376 /nfs/dbraw/zinc/03/03/76/341030376.db2.gz BIMXGOYUMWUSJX-UHFFFAOYSA-N 1 0 322.477 4.327 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000543106157 341032330 /nfs/dbraw/zinc/03/23/30/341032330.db2.gz KUVNPVFXNTTXQO-GOSISDBHSA-N 1 0 308.450 4.210 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000543182022 341035753 /nfs/dbraw/zinc/03/57/53/341035753.db2.gz MKJWYEPLRNUWKU-IFXJQAMLSA-N 1 0 324.399 4.289 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1Cl ZINC000543228922 341037251 /nfs/dbraw/zinc/03/72/51/341037251.db2.gz GJIOOPFVUYMTNP-GJZGRUSLSA-N 1 0 323.864 4.200 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CC#Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000543245856 341037962 /nfs/dbraw/zinc/03/79/62/341037962.db2.gz KSGUTYZCXGNOCS-UHFFFAOYSA-N 1 0 320.823 4.228 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(-c2cccnc2)c1 ZINC000130761156 341041319 /nfs/dbraw/zinc/04/13/19/341041319.db2.gz ITTAGWLVPRJJTD-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO Clc1cccc(C#CC[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000543439191 341044640 /nfs/dbraw/zinc/04/46/40/341044640.db2.gz WTWKOZIERNEJRZ-QGZVFWFLSA-N 1 0 301.842 4.494 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000543778989 341058408 /nfs/dbraw/zinc/05/84/08/341058408.db2.gz BBZHECWEIOTOPS-UHFFFAOYSA-N 1 0 316.351 4.350 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccco2)cc1OC ZINC000131092694 341059343 /nfs/dbraw/zinc/05/93/43/341059343.db2.gz JDSARILSQOIXCS-AWEZNQCLSA-N 1 0 301.386 4.046 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCC(C)(C)C#N)[C@@H]2C ZINC000543808936 341060080 /nfs/dbraw/zinc/06/00/80/341060080.db2.gz BGEBKNHFOBWLHL-HUUCEWRRSA-N 1 0 300.446 4.333 20 30 DIEDRO C=CC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000131110125 341061542 /nfs/dbraw/zinc/06/15/42/341061542.db2.gz CNBSZHOPSIJGIJ-UHFFFAOYSA-N 1 0 310.319 4.245 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(CCC(=O)N(CC)CC)CC1 ZINC000543872574 341062202 /nfs/dbraw/zinc/06/22/02/341062202.db2.gz CJHUWSQVAZAYER-KRWDZBQOSA-N 1 0 308.510 4.092 20 30 DIEDRO CC[NH+](CC)CCCC1CCN(c2ccc(C#N)cc2F)CC1 ZINC000543894390 341062651 /nfs/dbraw/zinc/06/26/51/341062651.db2.gz VQMHNXYTGXMJMN-UHFFFAOYSA-N 1 0 317.452 4.036 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000544116042 341070770 /nfs/dbraw/zinc/07/07/70/341070770.db2.gz CMDRAWMQOPQSCC-HXUWFJFHSA-N 1 0 306.409 4.002 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000544894610 341097647 /nfs/dbraw/zinc/09/76/47/341097647.db2.gz TUFFPSCIKZKKLW-HNNXBMFYSA-N 1 0 320.436 4.296 20 30 DIEDRO C[C@@H](C#N)C[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000545192250 341112715 /nfs/dbraw/zinc/11/27/15/341112715.db2.gz PCAYQZSKOSCVPD-SFHVURJKSA-N 1 0 306.453 4.370 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000545978464 341149208 /nfs/dbraw/zinc/14/92/08/341149208.db2.gz VHPDAPJHDOOVMY-CHWSQXEVSA-N 1 0 305.418 4.142 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc2c(c1)CCCC2 ZINC000546172153 341155892 /nfs/dbraw/zinc/15/58/92/341155892.db2.gz HRBJPZBAEPAZIY-CQSZACIVSA-N 1 0 308.400 4.427 20 30 DIEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1Cl ZINC000236732095 341197340 /nfs/dbraw/zinc/19/73/40/341197340.db2.gz SOYPQHIDCVHWTG-UHFFFAOYSA-N 1 0 322.836 4.480 20 30 DIEDRO CC(C)(C)c1ccccc1OCC[NH2+]CC(C)(C)CCC#N ZINC000236818103 341202167 /nfs/dbraw/zinc/20/21/67/341202167.db2.gz TYONUOULHIHSJR-UHFFFAOYSA-N 1 0 302.462 4.282 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000547393556 341210794 /nfs/dbraw/zinc/21/07/94/341210794.db2.gz UKNMLAXZSKYXIS-OCCSQVGLSA-N 1 0 321.367 4.029 20 30 DIEDRO C[C@H](O)C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CCCCC1 ZINC000135178672 341232869 /nfs/dbraw/zinc/23/28/69/341232869.db2.gz BJKGAXSSIFPGTH-INIZCTEOSA-N 1 0 314.473 4.003 20 30 DIEDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000547832726 341236460 /nfs/dbraw/zinc/23/64/60/341236460.db2.gz RAOXOGFMIGGXSM-DOTOQJQBSA-N 1 0 324.428 4.057 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000135711800 341244619 /nfs/dbraw/zinc/24/46/19/341244619.db2.gz NTNMKBYLQQZKKZ-RYUDHWBXSA-N 1 0 312.251 4.463 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000079065013 341252934 /nfs/dbraw/zinc/25/29/34/341252934.db2.gz NNKBLLMKTBPXJS-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO N#CCSCCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000080722083 341274776 /nfs/dbraw/zinc/27/47/76/341274776.db2.gz UPDSJTUAPAGRMR-LJQANCHMSA-N 1 0 310.466 4.207 20 30 DIEDRO CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000548788422 341275703 /nfs/dbraw/zinc/27/57/03/341275703.db2.gz YVVCAAYQOJTSJV-GFCCVEGCSA-N 1 0 324.255 4.304 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000549609811 341298805 /nfs/dbraw/zinc/29/88/05/341298805.db2.gz BDMVNYRVYJVEJU-HOCLYGCPSA-N 1 0 313.363 4.134 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000549676210 341300256 /nfs/dbraw/zinc/30/02/56/341300256.db2.gz ZFMCFRKFTZUNBU-XJKSGUPXSA-N 1 0 306.812 4.293 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000549676107 341300274 /nfs/dbraw/zinc/30/02/74/341300274.db2.gz ZFMCFRKFTZUNBU-BBRMVZONSA-N 1 0 306.812 4.293 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000549676209 341300283 /nfs/dbraw/zinc/30/02/83/341300283.db2.gz ZFMCFRKFTZUNBU-CZUORRHYSA-N 1 0 306.812 4.293 20 30 DIEDRO N#Cc1csc(C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000549831563 341304532 /nfs/dbraw/zinc/30/45/32/341304532.db2.gz ZNFFAWITHQNFPU-HNNXBMFYSA-N 1 0 324.371 4.446 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(F)c(Cl)c3)CC2)c1 ZINC000549874973 341305791 /nfs/dbraw/zinc/30/57/91/341305791.db2.gz YDJMSFLODSFUGI-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO CC(C)c1ccc([C@@H]2CCCC[N@@H+]2CCOCCC#N)cc1 ZINC000549921591 341306638 /nfs/dbraw/zinc/30/66/38/341306638.db2.gz FKZZGOMVIXLZAZ-IBGZPJMESA-N 1 0 300.446 4.267 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000550227757 341313116 /nfs/dbraw/zinc/31/31/16/341313116.db2.gz UJEJYFWPBJDXBL-UHFFFAOYSA-N 1 0 318.480 4.025 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000245833309 341315620 /nfs/dbraw/zinc/31/56/20/341315620.db2.gz CCUKPLSFNLGSHN-UTJXIGIESA-N 1 0 301.821 4.070 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1cccc(C#N)c1 ZINC000245835817 341315753 /nfs/dbraw/zinc/31/57/53/341315753.db2.gz CNWLUCMHYWNSRV-JCGIZDLHSA-N 1 0 300.446 4.050 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000551230396 341334629 /nfs/dbraw/zinc/33/46/29/341334629.db2.gz ZGGVHOMMUBFKOK-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000551241842 341335264 /nfs/dbraw/zinc/33/52/64/341335264.db2.gz WLCWUTMJPIOGCX-YJBOKZPZSA-N 1 0 305.437 4.485 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c(F)c1 ZINC000551577359 341346263 /nfs/dbraw/zinc/34/62/63/341346263.db2.gz WPMRNYQVSDSOBP-UHFFFAOYSA-N 1 0 324.399 4.309 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccs1 ZINC000551799333 341352129 /nfs/dbraw/zinc/35/21/29/341352129.db2.gz SYZXSSHVXKNSJS-MRXNPFEDSA-N 1 0 324.453 4.144 20 30 DIEDRO Cc1cc(C(C)(C)C)cc(C)c1CC[NH2+]C[C@H](C#N)CCC#N ZINC000551909764 341354809 /nfs/dbraw/zinc/35/48/09/341354809.db2.gz QFYSXFZSASRWPT-KRWDZBQOSA-N 1 0 311.473 4.177 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccco1 ZINC000552043698 341364521 /nfs/dbraw/zinc/36/45/21/341364521.db2.gz ZGZDWSIOZILEEC-MAUKXSAKSA-N 1 0 315.413 4.353 20 30 DIEDRO C[C@H]1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000247526321 341366640 /nfs/dbraw/zinc/36/66/40/341366640.db2.gz XCYRMUYAUDXSDQ-RUCARUNLSA-N 1 0 322.456 4.132 20 30 DIEDRO CC(C)[C@H]1[N@H+](Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000552072503 341367612 /nfs/dbraw/zinc/36/76/12/341367612.db2.gz MXSONFFBQUHSTO-GOSISDBHSA-N 1 0 300.446 4.236 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)cc1 ZINC000552085553 341368440 /nfs/dbraw/zinc/36/84/40/341368440.db2.gz BTIRIZHCOQFCGP-JXFKEZNVSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1ccco1 ZINC000552252457 341381598 /nfs/dbraw/zinc/38/15/98/341381598.db2.gz OCOXYKZNIDHPSH-GOEBONIOSA-N 1 0 303.377 4.483 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(F)cn2)cc1 ZINC000552324071 341386661 /nfs/dbraw/zinc/38/66/61/341386661.db2.gz ZRQTUXISIVTMGC-KRWDZBQOSA-N 1 0 300.377 4.026 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000248900656 341389823 /nfs/dbraw/zinc/38/98/23/341389823.db2.gz ULEFXMYXZZFQPE-MXWKQRLJSA-N 1 0 317.380 4.285 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669353 341406749 /nfs/dbraw/zinc/40/67/49/341406749.db2.gz WNJXYRLRMWWEBD-INIZCTEOSA-N 1 0 315.486 4.472 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000089801637 341408922 /nfs/dbraw/zinc/40/89/22/341408922.db2.gz GNSHJEVQZGPSSN-UHFFFAOYSA-N 1 0 312.363 4.396 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2ccccc2C1 ZINC000552968983 341411098 /nfs/dbraw/zinc/41/10/98/341411098.db2.gz FKPAZTLICNGDIZ-FPOVZHCZSA-N 1 0 302.421 4.083 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000554075100 341442838 /nfs/dbraw/zinc/44/28/38/341442838.db2.gz QELUQEQNJKYEDQ-MRXNPFEDSA-N 1 0 315.417 4.237 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(Br)cs1 ZINC000554079178 341442992 /nfs/dbraw/zinc/44/29/92/341442992.db2.gz RONFOCNXWIHCHR-JTQLQIEISA-N 1 0 315.280 4.491 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554359784 341451182 /nfs/dbraw/zinc/45/11/82/341451182.db2.gz RWBWZRSQYKPPGB-IAGOWNOFSA-N 1 0 300.446 4.152 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000556253310 341499317 /nfs/dbraw/zinc/49/93/17/341499317.db2.gz GNVHHMQKHBUBCQ-GJZGRUSLSA-N 1 0 319.518 4.244 20 30 DIEDRO CN(CCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000564431538 341501642 /nfs/dbraw/zinc/50/16/42/341501642.db2.gz GRURXAFKVDEUJP-OAQYLSRUSA-N 1 0 319.452 4.052 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(F)c2ccccc21 ZINC000564679817 341506536 /nfs/dbraw/zinc/50/65/36/341506536.db2.gz HVTVGUWSHZALHH-ZDUSSCGKSA-N 1 0 307.372 4.040 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000567225234 341589733 /nfs/dbraw/zinc/58/97/33/341589733.db2.gz BRGGXEHNXMYKGE-NHCUHLMSSA-N 1 0 318.420 4.295 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000274313076 341642601 /nfs/dbraw/zinc/64/26/01/341642601.db2.gz UXDJNHNZXMCNJZ-ADLFWFRXSA-N 1 0 324.399 4.268 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000573696461 341736271 /nfs/dbraw/zinc/73/62/71/341736271.db2.gz JBANULCYNILKFB-MSOLQXFVSA-N 1 0 321.380 4.217 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1F ZINC000574453376 341759122 /nfs/dbraw/zinc/75/91/22/341759122.db2.gz VXZCEILEBDWDQV-CYBMUJFWSA-N 1 0 314.429 4.464 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000171131563 341772093 /nfs/dbraw/zinc/77/20/93/341772093.db2.gz VTWXWNMARNMHEC-UHFFFAOYSA-N 1 0 321.449 4.063 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000575122979 341779406 /nfs/dbraw/zinc/77/94/06/341779406.db2.gz NSLIBQQNCWEUMQ-RIEGTJTDSA-N 1 0 314.326 4.469 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(OC(F)F)cc1 ZINC000174265456 341825408 /nfs/dbraw/zinc/82/54/08/341825408.db2.gz GTSFOKGSHFCCCW-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000576813168 341864231 /nfs/dbraw/zinc/86/42/31/341864231.db2.gz MRKBSTGWMCLXAD-MGPUTAFESA-N 1 0 322.456 4.454 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000177696224 341924185 /nfs/dbraw/zinc/92/41/85/341924185.db2.gz MDCINLHURIVSGC-QGZVFWFLSA-N 1 0 300.402 4.390 20 30 DIEDRO COc1ccc([C@H](CCC#N)[NH2+]CCSCC(C)C)cc1 ZINC000577703612 341930213 /nfs/dbraw/zinc/93/02/13/341930213.db2.gz DDIWKRJQANROOG-KRWDZBQOSA-N 1 0 306.475 4.019 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC000182629141 519781474 /nfs/dbraw/zinc/78/14/74/519781474.db2.gz OWAULQCPSSZKQS-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO CCC1CCC([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000266623734 519853207 /nfs/dbraw/zinc/85/32/07/519853207.db2.gz GNLUVGSHPCIKLV-UHFFFAOYSA-N 1 0 324.428 4.009 20 30 DIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000181514604 519877797 /nfs/dbraw/zinc/87/77/97/519877797.db2.gz ZNPONNWYVHIQAC-OAHLLOKOSA-N 1 0 321.424 4.148 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)s2)c(C)c1 ZINC000188793585 520369073 /nfs/dbraw/zinc/36/90/73/520369073.db2.gz XWYFKAHIUBHOGI-UHFFFAOYSA-N 1 0 300.427 4.007 20 30 DIEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000156878891 521365658 /nfs/dbraw/zinc/36/56/58/521365658.db2.gz ACDFWJFLXFUTPH-MRXNPFEDSA-N 1 0 324.428 4.009 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000181270757 521614888 /nfs/dbraw/zinc/61/48/88/521614888.db2.gz KJQCUBMAEIBMGP-KYNGSXCRSA-N 1 0 300.446 4.193 20 30 DIEDRO CCC(CC)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000181270812 521623646 /nfs/dbraw/zinc/62/36/46/521623646.db2.gz KJQCUBMAEIBMGP-ZOCIIQOWSA-N 1 0 300.446 4.193 20 30 DIEDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546137 522332625 /nfs/dbraw/zinc/33/26/25/522332625.db2.gz RNHLXMAPBJJPOZ-PBHICJAKSA-N 1 0 324.428 4.009 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000178177088 522699827 /nfs/dbraw/zinc/69/98/27/522699827.db2.gz KEAXDJWCAUJGCD-KSSFIOAISA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(C#N)o2)cc1 ZINC000156082433 524114591 /nfs/dbraw/zinc/11/45/91/524114591.db2.gz JPKYILMFHGZYAX-OAHLLOKOSA-N 1 0 309.413 4.138 20 30 DIEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000157928651 524813192 /nfs/dbraw/zinc/81/31/92/524813192.db2.gz QFGPLZMSANLUSB-QAPCUYQASA-N 1 0 306.409 4.117 20 30 DIEDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000157928508 524813583 /nfs/dbraw/zinc/81/35/83/524813583.db2.gz QFGPLZMSANLUSB-YJBOKZPZSA-N 1 0 306.409 4.117 20 30 DIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cccc(C#N)c1 ZINC000182050047 525410739 /nfs/dbraw/zinc/41/07/39/525410739.db2.gz PUXFRDUHWPMZDN-OXJNMPFZSA-N 1 0 322.452 4.011 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000181574827 525482189 /nfs/dbraw/zinc/48/21/89/525482189.db2.gz YVASYERKRQNLEU-TYCQWZJGSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(N2CCCC2)c1 ZINC000181853450 525510648 /nfs/dbraw/zinc/51/06/48/525510648.db2.gz IDGUPOJLVKNKGI-OAHLLOKOSA-N 1 0 323.415 4.148 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc(C#N)c1 ZINC000181930461 525536480 /nfs/dbraw/zinc/53/64/80/525536480.db2.gz WVXAGMZDFOABIQ-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000182479156 526626804 /nfs/dbraw/zinc/62/68/04/526626804.db2.gz ZSSGTVOWSBETQZ-KRWDZBQOSA-N 1 0 312.800 4.215 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCC12CCOCC2 ZINC000337492256 526690903 /nfs/dbraw/zinc/69/09/03/526690903.db2.gz ADXXXLPZLIJCTL-UXHICEINSA-N 1 0 324.468 4.265 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cc(F)ccc1F ZINC000281615578 535805709 /nfs/dbraw/zinc/80/57/09/535805709.db2.gz GZMBQVJGDHOIRW-QGZVFWFLSA-N 1 0 316.351 4.086 20 30 DIEDRO COc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000284431126 537141465 /nfs/dbraw/zinc/14/14/65/537141465.db2.gz RKTRZAPUIHCTEM-NWDGAFQWSA-N 1 0 315.804 4.027 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CC1CCC1)c1ccc(Br)cc1 ZINC001205987984 1049620126 /nfs/dbraw/zinc/62/01/26/1049620126.db2.gz BXEVXEVRBMHXAD-WBMJQRKESA-N 1 0 306.247 4.292 20 30 DIEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232898152 1054143286 /nfs/dbraw/zinc/14/32/86/1054143286.db2.gz SBYAVZAKSOMAQF-AWEZNQCLSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC001560008879 1059815197 /nfs/dbraw/zinc/81/51/97/1059815197.db2.gz SGAZXGQZFNBRJQ-BDAKNGLRSA-N 1 0 304.178 4.343 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccco1 ZINC000796816122 1035681808 /nfs/dbraw/zinc/68/18/08/1035681808.db2.gz HWLKUKCXGBBNBJ-HOTGVXAUSA-N 1 0 305.805 4.264 20 30 DIEDRO CCN(Cc1cccc(NC(=O)OC(C)(C)C)c1)C[C@H](C)C#N ZINC000089891515 1035712525 /nfs/dbraw/zinc/71/25/25/1035712525.db2.gz NHMIIJSDAURBLL-CQSZACIVSA-N 1 0 317.433 4.015 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1c1ccccc1 ZINC000610216064 1035749994 /nfs/dbraw/zinc/74/99/94/1035749994.db2.gz HSNPSYBRRSJMBE-KXBFYZLASA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000610216129 1035751012 /nfs/dbraw/zinc/75/10/12/1035751012.db2.gz OBYRMRIBEWSKFU-LAUBAEHRSA-N 1 0 320.436 4.063 20 30 DIEDRO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000154332962 1035870839 /nfs/dbraw/zinc/87/08/39/1035870839.db2.gz FHOXWCJDJVIPPE-IUODEOHRSA-N 1 0 311.454 4.305 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1N(C)C ZINC000154341078 1035875990 /nfs/dbraw/zinc/87/59/90/1035875990.db2.gz FFRGMVKUURTPMI-UONOGXRCSA-N 1 0 311.404 4.175 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2ccccc2)cc1OCCCC#N ZINC000154466739 1035901966 /nfs/dbraw/zinc/90/19/66/1035901966.db2.gz RVFALRVRJANYHN-UHFFFAOYSA-N 1 0 324.424 4.010 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660718164 1035911955 /nfs/dbraw/zinc/91/19/55/1035911955.db2.gz PREXYROJFLCYTL-INIZCTEOSA-N 1 0 302.466 4.083 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2c2ccccc2F)cc1 ZINC001208926032 1035944835 /nfs/dbraw/zinc/94/48/35/1035944835.db2.gz FVGZZYBDBKTDAC-FQEVSTJZSA-N 1 0 308.400 4.467 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1c1ccccc1 ZINC001209432839 1036173158 /nfs/dbraw/zinc/17/31/58/1036173158.db2.gz KPKAMCMAQGISIL-RTBURBONSA-N 1 0 315.457 4.359 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCc2cnc(SC)nc2C1 ZINC001209441823 1036188864 /nfs/dbraw/zinc/18/88/64/1036188864.db2.gz KNSPRWAELRYEAE-UHFFFAOYSA-N 1 0 305.491 4.083 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(N(CC)C(C)=O)CC1 ZINC001209446302 1036194644 /nfs/dbraw/zinc/19/46/44/1036194644.db2.gz VNANBGQUPOBNKV-UHFFFAOYSA-N 1 0 308.510 4.236 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001167252097 1036325634 /nfs/dbraw/zinc/32/56/34/1036325634.db2.gz SNOKFXBQGQLQKA-LJQANCHMSA-N 1 0 312.457 4.372 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CC2(CO1)CCCCC2 ZINC001167273907 1036356446 /nfs/dbraw/zinc/35/64/46/1036356446.db2.gz UEHMGCKICJFULL-FQEVSTJZSA-N 1 0 313.485 4.457 20 30 DIEDRO COc1ccc(-c2csc(C[NH2+]Cc3ccc(C#N)o3)c2)cc1 ZINC000177584012 1036568887 /nfs/dbraw/zinc/56/88/87/1036568887.db2.gz KAAUNFVSCUDGQT-UHFFFAOYSA-N 1 0 324.405 4.178 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC001648817090 1036579938 /nfs/dbraw/zinc/57/99/38/1036579938.db2.gz URGYISABLCNGCH-UKRRQHHQSA-N 1 0 313.363 4.462 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001648848653 1036629147 /nfs/dbraw/zinc/62/91/47/1036629147.db2.gz WPOZHRHKRGEFIU-WMLDXEAASA-N 1 0 320.864 4.393 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1OC(C)C ZINC001648889171 1036673051 /nfs/dbraw/zinc/67/30/51/1036673051.db2.gz KIEJPMIBPQDEMG-UHFFFAOYSA-N 1 0 308.425 4.252 20 30 DIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000609280820 1036758475 /nfs/dbraw/zinc/75/84/75/1036758475.db2.gz QJLRESQNPOQMHM-IBGZPJMESA-N 1 0 306.409 4.294 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000580026446 1036774394 /nfs/dbraw/zinc/77/43/94/1036774394.db2.gz MHIVXUJOYLXNTA-HNNXBMFYSA-N 1 0 301.352 4.075 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1cc(C#N)ccc1F ZINC000796824722 1036821752 /nfs/dbraw/zinc/82/17/52/1036821752.db2.gz ACPFLOGMUAOBFY-LBPRGKRZSA-N 1 0 318.342 4.086 20 30 DIEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000610341650 1036834054 /nfs/dbraw/zinc/83/40/54/1036834054.db2.gz HNOGAKDEWKOEOL-OAHLLOKOSA-N 1 0 308.425 4.195 20 30 DIEDRO N#Cc1csc(C[NH2+]CCSc2ccc(Cl)cc2)c1 ZINC000177681658 1036852217 /nfs/dbraw/zinc/85/22/17/1036852217.db2.gz OAUCSIXTFKPTEU-UHFFFAOYSA-N 1 0 308.859 4.155 20 30 DIEDRO N#Cc1csc(C[NH2+]CCCSc2ccc(F)cc2)c1 ZINC000177680729 1036854325 /nfs/dbraw/zinc/85/43/25/1036854325.db2.gz NPHKJYJRHFQJLV-UHFFFAOYSA-N 1 0 306.431 4.031 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1coc2ccccc12 ZINC000348640898 1036856515 /nfs/dbraw/zinc/85/65/15/1036856515.db2.gz IKTRMURZBZPQQI-UHFFFAOYSA-N 1 0 311.381 4.096 20 30 DIEDRO N#Cc1ccccc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001210741032 1036931314 /nfs/dbraw/zinc/93/13/14/1036931314.db2.gz FISKQUSQLZRUKK-UHFFFAOYSA-N 1 0 305.425 4.330 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+](CC3CCCCCC3)CC2)c1 ZINC001167355986 1036959023 /nfs/dbraw/zinc/95/90/23/1036959023.db2.gz GFJFVGZRGVMTRC-UHFFFAOYSA-N 1 0 312.457 4.372 20 30 DIEDRO CCO[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000447549531 1036962337 /nfs/dbraw/zinc/96/23/37/1036962337.db2.gz FGORLGDBLNJCBD-AUUYWEPGSA-N 1 0 312.388 4.126 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001167367630 1036996474 /nfs/dbraw/zinc/99/64/74/1036996474.db2.gz OUBBFOWZWBQCKN-OAQYLSRUSA-N 1 0 307.412 4.231 20 30 DIEDRO C=CCCCCC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000782181642 1037090460 /nfs/dbraw/zinc/09/04/60/1037090460.db2.gz DYRBKINLUZVDCI-UHFFFAOYSA-N 1 0 310.482 4.064 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccs1 ZINC000177821448 1037308493 /nfs/dbraw/zinc/30/84/93/1037308493.db2.gz OHOBETGRMCVOIT-ZDUSSCGKSA-N 1 0 302.468 4.204 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000177856942 1037364215 /nfs/dbraw/zinc/36/42/15/1037364215.db2.gz KGAXWCHMFJICLA-LLVKDONJSA-N 1 0 317.433 4.437 20 30 DIEDRO CCC(CC)[N@H+](CCC(=O)Nc1sccc1C#N)CC(C)C ZINC000177864015 1037377046 /nfs/dbraw/zinc/37/70/46/1037377046.db2.gz RJLNDDRIJULQEM-UHFFFAOYSA-N 1 0 321.490 4.095 20 30 DIEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC1(C#N)CC1 ZINC000581048701 1037419000 /nfs/dbraw/zinc/41/90/00/1037419000.db2.gz UNPYAOUMWQTXDG-OAHLLOKOSA-N 1 0 321.262 4.054 20 30 DIEDRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1(C#N)CC1 ZINC000581048700 1037419553 /nfs/dbraw/zinc/41/95/53/1037419553.db2.gz UNPYAOUMWQTXDG-HNNXBMFYSA-N 1 0 321.262 4.054 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCCF)Cc2cccc(F)c2)cc1 ZINC000177912283 1037429363 /nfs/dbraw/zinc/42/93/63/1037429363.db2.gz NGRJSBNWDKXNTE-UHFFFAOYSA-N 1 0 300.352 4.059 20 30 DIEDRO N#Cc1csc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)c1 ZINC000610488637 1037492648 /nfs/dbraw/zinc/49/26/48/1037492648.db2.gz FMJAYQCQZVWBSL-UHFFFAOYSA-N 1 0 321.405 4.097 20 30 DIEDRO CC[C@@H]1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000581263036 1037505943 /nfs/dbraw/zinc/50/59/43/1037505943.db2.gz XTKUWJRDVQKRNT-QZTJIDSGSA-N 1 0 311.473 4.155 20 30 DIEDRO Cc1csc(C[C@H]2CC[N@H+](CCC3(C#N)CCCCC3)C2)n1 ZINC000933125908 1037511236 /nfs/dbraw/zinc/51/12/36/1037511236.db2.gz LKEKINRPPYTPGG-MRXNPFEDSA-N 1 0 317.502 4.180 20 30 DIEDRO C[C@@H]([NH2+]Cc1nc(C#N)cs1)C1(c2ccccc2)CCCC1 ZINC000581339694 1037541076 /nfs/dbraw/zinc/54/10/76/1037541076.db2.gz JZHDTCGVMDYRBW-CQSZACIVSA-N 1 0 311.454 4.005 20 30 DIEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000684207557 1037559039 /nfs/dbraw/zinc/55/90/39/1037559039.db2.gz VOXDKONOTPUHRC-VQTJNVASSA-N 1 0 317.473 4.292 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1 ZINC000834878506 1037687853 /nfs/dbraw/zinc/68/78/53/1037687853.db2.gz DULVENCSVPLREO-KGLIPLIRSA-N 1 0 311.853 4.018 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC001204563448 1037735649 /nfs/dbraw/zinc/73/56/49/1037735649.db2.gz CLMJQTATJZUISW-UHFFFAOYSA-N 1 0 324.855 4.398 20 30 DIEDRO Cc1ccc2cc(C[NH2+]C3(c4cccc(C#N)c4)CC3)ccc2n1 ZINC000341210899 1037747291 /nfs/dbraw/zinc/74/72/91/1037747291.db2.gz HHCPVVGYOHEDJE-UHFFFAOYSA-N 1 0 313.404 4.194 20 30 DIEDRO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133013 1037819744 /nfs/dbraw/zinc/81/97/44/1037819744.db2.gz IKRMKJICMVCTDP-LEWJYISDSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000341369482 1037929466 /nfs/dbraw/zinc/92/94/66/1037929466.db2.gz ZXEVCRZJIFNIJZ-QGZVFWFLSA-N 1 0 308.416 4.013 20 30 DIEDRO C[C@@H](C#N)CNc1ccnc2ccc(Oc3ccccc3)cc21 ZINC000581704195 1037929692 /nfs/dbraw/zinc/92/96/92/1037929692.db2.gz VQNNQTQPTXOUEK-AWEZNQCLSA-N 1 0 303.365 4.021 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000285462490 1037952930 /nfs/dbraw/zinc/95/29/30/1037952930.db2.gz APSGZSHNIFZHOL-HKUYNNGSSA-N 1 0 312.457 4.170 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1csc2ccccc12 ZINC000602516406 1038025371 /nfs/dbraw/zinc/02/53/71/1038025371.db2.gz KYCNQOUFLYLXFC-CQSZACIVSA-N 1 0 314.454 4.090 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000602511866 1038030387 /nfs/dbraw/zinc/03/03/87/1038030387.db2.gz RXFYGWFEIZPOFO-CRAIPNDOSA-N 1 0 319.880 4.006 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000602511305 1038031354 /nfs/dbraw/zinc/03/13/54/1038031354.db2.gz POYITXPZZSZSEJ-MRXNPFEDSA-N 1 0 312.413 4.026 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000602508856 1038031557 /nfs/dbraw/zinc/03/15/57/1038031557.db2.gz BTEQDUQFRIMBMM-RYUDHWBXSA-N 1 0 300.324 4.176 20 30 DIEDRO COCCSc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602539042 1038034059 /nfs/dbraw/zinc/03/40/59/1038034059.db2.gz QCXFALKSGCYULC-LSDHHAIUSA-N 1 0 306.475 4.016 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000602529310 1038034299 /nfs/dbraw/zinc/03/42/99/1038034299.db2.gz FIBNFMNVTXTFOT-ZDUSSCGKSA-N 1 0 310.363 4.266 20 30 DIEDRO CCC(CC)([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602544495 1038034532 /nfs/dbraw/zinc/03/45/32/1038034532.db2.gz CEMBKGXORHUQNP-UHFFFAOYSA-N 1 0 313.832 4.412 20 30 DIEDRO N#CC1CCC([NH2+]Cc2nc3cc(Cl)ccc3s2)CC1 ZINC000602528861 1038034625 /nfs/dbraw/zinc/03/46/25/1038034625.db2.gz MBXDLAFWKNANKY-UHFFFAOYSA-N 1 0 305.834 4.122 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000602526433 1038034818 /nfs/dbraw/zinc/03/48/18/1038034818.db2.gz WTDOIPCVOBCRSY-MLGOLLRUSA-N 1 0 308.372 4.195 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000602547347 1038035430 /nfs/dbraw/zinc/03/54/30/1038035430.db2.gz SSMPLMCSLGENOS-HNNXBMFYSA-N 1 0 318.424 4.259 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000178176197 1038035785 /nfs/dbraw/zinc/03/57/85/1038035785.db2.gz HZSVEMCWLJFLIT-LSDHHAIUSA-N 1 0 324.424 4.296 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000602536527 1038036285 /nfs/dbraw/zinc/03/62/85/1038036285.db2.gz UKVYAPUZHPYCFI-LJQANCHMSA-N 1 0 309.388 4.113 20 30 DIEDRO N#CC1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000602530340 1038036930 /nfs/dbraw/zinc/03/69/30/1038036930.db2.gz AIYDLBHMIRKQGM-HFLCMSJXSA-N 1 0 319.246 4.108 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC000602531226 1038037475 /nfs/dbraw/zinc/03/74/75/1038037475.db2.gz UMIWEBBKPBXACJ-KBPBESRZSA-N 1 0 323.278 4.300 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000602534390 1038037873 /nfs/dbraw/zinc/03/78/73/1038037873.db2.gz RPRZGDOFKMEFLX-JTQLQIEISA-N 1 0 315.642 4.132 20 30 DIEDRO COc1cccc(C2(C[NH2+]C3CCC(C#N)CC3)CCCC2)c1 ZINC000602560066 1038037931 /nfs/dbraw/zinc/03/79/31/1038037931.db2.gz BANQWJDNDYETMK-UHFFFAOYSA-N 1 0 312.457 4.179 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCCCc1ccccc1 ZINC000602532827 1038038436 /nfs/dbraw/zinc/03/84/36/1038038436.db2.gz MHCIKKIQCNNYLS-GOSISDBHSA-N 1 0 314.473 4.088 20 30 DIEDRO COc1ccc(C[NH2+]C[C@@H](C)CCC#N)c(OC2CCCC2)c1 ZINC000602564697 1038039241 /nfs/dbraw/zinc/03/92/41/1038039241.db2.gz NULICJOBAPRCHE-HNNXBMFYSA-N 1 0 316.445 4.046 20 30 DIEDRO N#CC1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000602567079 1038040876 /nfs/dbraw/zinc/04/08/76/1038040876.db2.gz UCSOYEKOAKCDKD-ZEPSKSRBSA-N 1 0 319.246 4.108 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(-c2cccnc2)cc1 ZINC000602574381 1038041267 /nfs/dbraw/zinc/04/12/67/1038041267.db2.gz ZSBOVSBWZDSMPV-LSWWBPAMSA-N 1 0 305.425 4.482 20 30 DIEDRO N#CC1CCC([NH2+]CCCOc2ccc3ccccc3c2)CC1 ZINC000602567772 1038041758 /nfs/dbraw/zinc/04/17/58/1038041758.db2.gz IOAJVKFVTXZTEK-UHFFFAOYSA-N 1 0 308.425 4.281 20 30 DIEDRO CC[C@@H](C[NH2+]C1CCC(C#N)CC1)Oc1ccccc1Cl ZINC000602571489 1038042531 /nfs/dbraw/zinc/04/25/31/1038042531.db2.gz WUPJACGSBNFVSA-NRXISQOPSA-N 1 0 306.837 4.169 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C#N)n1)CCC2 ZINC000602576917 1038047222 /nfs/dbraw/zinc/04/72/22/1038047222.db2.gz DCQRAWQICFIJMF-HXUWFJFHSA-N 1 0 305.425 4.244 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCC(C#N)CC1)CC3 ZINC000602586976 1038048048 /nfs/dbraw/zinc/04/80/48/1038048048.db2.gz CFYINFGJXMDKEJ-GPANFISMSA-N 1 0 307.441 4.006 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000602580050 1038048582 /nfs/dbraw/zinc/04/85/82/1038048582.db2.gz CLJJCLCEKWCKBB-LBPRGKRZSA-N 1 0 315.244 4.039 20 30 DIEDRO C[C@H](C[NH2+]C1CCC(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000602626588 1038049533 /nfs/dbraw/zinc/04/95/33/1038049533.db2.gz LIIIBFZRTGWXNM-VEAWUBTESA-N 1 0 310.363 4.481 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000602615098 1038050106 /nfs/dbraw/zinc/05/01/06/1038050106.db2.gz HEVYGJLNOPPXKL-MRXNPFEDSA-N 1 0 304.478 4.202 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CC1(F)F ZINC000602605576 1038052407 /nfs/dbraw/zinc/05/24/07/1038052407.db2.gz SHDRAMJBVYAHCB-ACJLOTCBSA-N 1 0 312.363 4.359 20 30 DIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCC(C#N)CC1 ZINC000602603757 1038054071 /nfs/dbraw/zinc/05/40/71/1038054071.db2.gz DZJXWPVFSORQIA-OPFPJEHXSA-N 1 0 310.363 4.308 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CC1(F)F ZINC000602605586 1038054217 /nfs/dbraw/zinc/05/42/17/1038054217.db2.gz SHDRAMJBVYAHCB-UGSOOPFHSA-N 1 0 312.363 4.359 20 30 DIEDRO CCc1ccc(-c2noc([C@H](C)[NH2+]C3CCC(C#N)CC3)n2)cc1 ZINC000602649807 1038056306 /nfs/dbraw/zinc/05/63/06/1038056306.db2.gz ZKOOZVFVKFYMEQ-KTAKPFMOSA-N 1 0 324.428 4.032 20 30 DIEDRO N#CC1CCC([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000602629300 1038057701 /nfs/dbraw/zinc/05/77/01/1038057701.db2.gz MJCQUNHLSXCPAW-UHFFFAOYSA-N 1 0 322.374 4.409 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CC1(C#N)CCOCC1)CCC2 ZINC000602672619 1038057729 /nfs/dbraw/zinc/05/77/29/1038057729.db2.gz NHGYYQOHVYZFMK-VQIMIIECSA-N 1 0 312.457 4.061 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(Br)cc1F ZINC000602651876 1038058468 /nfs/dbraw/zinc/05/84/68/1038058468.db2.gz ABDYEFWSMODEKK-WDEREUQCSA-N 1 0 313.214 4.179 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C1(Cc2ccccc2Br)CC1 ZINC000602671258 1038058839 /nfs/dbraw/zinc/05/88/39/1038058839.db2.gz DNQRWNRSQXWEGD-CYBMUJFWSA-N 1 0 321.262 4.054 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000602669659 1038064053 /nfs/dbraw/zinc/06/40/53/1038064053.db2.gz JIZRZPNICPHBSX-CYBMUJFWSA-N 1 0 315.392 4.086 20 30 DIEDRO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602665042 1038064132 /nfs/dbraw/zinc/06/41/32/1038064132.db2.gz XQLIIEBVNGBFOV-INIZCTEOSA-N 1 0 324.472 4.175 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000602692331 1038067333 /nfs/dbraw/zinc/06/73/33/1038067333.db2.gz XRTDYRKYRRXCCR-SNVBAGLBSA-N 1 0 315.642 4.132 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000602687478 1038067729 /nfs/dbraw/zinc/06/77/29/1038067729.db2.gz XGPYDLXWIJEDGJ-ZBFHGGJFSA-N 1 0 311.816 4.033 20 30 DIEDRO CC(C)Cc1ccccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602721846 1038071780 /nfs/dbraw/zinc/07/17/80/1038071780.db2.gz XIOQKKQSFGMLKO-KRWDZBQOSA-N 1 0 314.473 4.074 20 30 DIEDRO CCCC[N@H+](C[C@H](C)CCC#N)[C@@H]1CCc2ncsc2C1 ZINC000602701118 1038072355 /nfs/dbraw/zinc/07/23/55/1038072355.db2.gz ASESAWSCYIDTPK-HUUCEWRRSA-N 1 0 305.491 4.042 20 30 DIEDRO Cn1c(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc2ccccc21 ZINC000602710875 1038074644 /nfs/dbraw/zinc/07/46/44/1038074644.db2.gz ZEWYACMGELMDBK-UHFFFAOYSA-N 1 0 303.409 4.075 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000602706095 1038075526 /nfs/dbraw/zinc/07/55/26/1038075526.db2.gz BZXJLAVAZUFWMT-CQSZACIVSA-N 1 0 311.454 4.108 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000135323369 1038078921 /nfs/dbraw/zinc/07/89/21/1038078921.db2.gz LVYLMOOCIYKFDB-MAUKXSAKSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000602740519 1038083473 /nfs/dbraw/zinc/08/34/73/1038083473.db2.gz JRHPPSFVXSBFPO-SNVBAGLBSA-N 1 0 304.743 4.388 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000602797880 1038087858 /nfs/dbraw/zinc/08/78/58/1038087858.db2.gz CUNMYJOVRINEPP-ZDUSSCGKSA-N 1 0 300.299 4.103 20 30 DIEDRO N#CCC1(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000602800172 1038090188 /nfs/dbraw/zinc/09/01/88/1038090188.db2.gz WFQLYIRDXGFXBL-UHFFFAOYSA-N 1 0 317.436 4.407 20 30 DIEDRO CSc1ccccc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909144 1038105755 /nfs/dbraw/zinc/10/57/55/1038105755.db2.gz ZZJXUMAMIJVLAY-UHFFFAOYSA-N 1 0 323.465 4.055 20 30 DIEDRO CC(C)(C)c1csc(CC2CC[NH+](CCCCC#N)CC2)n1 ZINC000602892546 1038106517 /nfs/dbraw/zinc/10/65/17/1038106517.db2.gz KLEJZKMYFKNQMW-UHFFFAOYSA-N 1 0 319.518 4.389 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3sccc3Cl)CC2)nc1 ZINC000602905832 1038108977 /nfs/dbraw/zinc/10/89/77/1038108977.db2.gz FCZFORGAPHNRGJ-UHFFFAOYSA-N 1 0 317.845 4.048 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602905866 1038109428 /nfs/dbraw/zinc/10/94/28/1038109428.db2.gz UQBMGYPEGMJXKR-UHFFFAOYSA-N 1 0 303.425 4.120 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602902307 1038110038 /nfs/dbraw/zinc/11/00/38/1038110038.db2.gz BPYFCRRENIKKGF-AWEZNQCLSA-N 1 0 309.388 4.033 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602903464 1038110107 /nfs/dbraw/zinc/11/01/07/1038110107.db2.gz IEDMDOGJFXNZTM-AWEZNQCLSA-N 1 0 309.388 4.033 20 30 DIEDRO CC[C@H](CC(F)F)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602901957 1038110197 /nfs/dbraw/zinc/11/01/97/1038110197.db2.gz SLUAYDUHYJPAKO-CQSZACIVSA-N 1 0 321.415 4.116 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000598602125 1038125154 /nfs/dbraw/zinc/12/51/54/1038125154.db2.gz LARDEYCRSBPWDQ-SJORKVTESA-N 1 0 320.864 4.072 20 30 DIEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598599126 1038128290 /nfs/dbraw/zinc/12/82/90/1038128290.db2.gz AAMVLAITCBBEPN-ZBFHGGJFSA-N 1 0 320.502 4.138 20 30 DIEDRO CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000598587282 1038128532 /nfs/dbraw/zinc/12/85/32/1038128532.db2.gz NXUKULJVFXHBHP-ZBFHGGJFSA-N 1 0 314.429 4.116 20 30 DIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598599124 1038128554 /nfs/dbraw/zinc/12/85/54/1038128554.db2.gz AAMVLAITCBBEPN-HOCLYGCPSA-N 1 0 320.502 4.138 20 30 DIEDRO Cc1cccc([C@H]2CCCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)c1C ZINC000598596842 1038128902 /nfs/dbraw/zinc/12/89/02/1038128902.db2.gz UMCNKZAMQRJMFM-IEBWSBKVSA-N 1 0 314.473 4.131 20 30 DIEDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000603028186 1038129146 /nfs/dbraw/zinc/12/91/46/1038129146.db2.gz ATGKXDQUVRRBIU-SFHVURJKSA-N 1 0 304.478 4.132 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000598613606 1038132732 /nfs/dbraw/zinc/13/27/32/1038132732.db2.gz KNYMHOJJURSHNG-IRXDYDNUSA-N 1 0 320.864 4.168 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000598613604 1038132924 /nfs/dbraw/zinc/13/29/24/1038132924.db2.gz KNYMHOJJURSHNG-IAGOWNOFSA-N 1 0 320.864 4.168 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000598679366 1038150585 /nfs/dbraw/zinc/15/05/85/1038150585.db2.gz HJPUMTVLJJPNLJ-IUODEOHRSA-N 1 0 308.347 4.366 20 30 DIEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135346291 1038154289 /nfs/dbraw/zinc/15/42/89/1038154289.db2.gz IQXHQXAGMJNCTD-YOEHRIQHSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CCC2 ZINC000598727440 1038162678 /nfs/dbraw/zinc/16/26/78/1038162678.db2.gz XDDIESVLZKTWBH-HKUYNNGSSA-N 1 0 314.473 4.078 20 30 DIEDRO N#Cc1cccc(CN[C@@H](CC(F)(F)F)c2ccccc2)c1F ZINC000341596462 1038166951 /nfs/dbraw/zinc/16/69/51/1038166951.db2.gz WXMUXUCGJOOTBP-HNNXBMFYSA-N 1 0 322.305 4.481 20 30 DIEDRO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000593644422 1038193157 /nfs/dbraw/zinc/19/31/57/1038193157.db2.gz GTWIPBWQMVXSKG-ZDUSSCGKSA-N 1 0 302.468 4.232 20 30 DIEDRO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000598966188 1038200031 /nfs/dbraw/zinc/20/00/31/1038200031.db2.gz SUBGJTMVKPEDSO-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO N#Cc1c(C[NH+]2CCC(c3ccccc3)CC2)cn2ccccc12 ZINC000603442664 1038205937 /nfs/dbraw/zinc/20/59/37/1038205937.db2.gz XUIDMJGEZQSRGP-UHFFFAOYSA-N 1 0 315.420 4.191 20 30 DIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000598996874 1038214335 /nfs/dbraw/zinc/21/43/35/1038214335.db2.gz QLGJYLVZKWQRPA-WGSAOQKQSA-N 1 0 300.446 4.022 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC3(C(F)(F)F)CCCC3)cc2)CC1 ZINC000599014523 1038219047 /nfs/dbraw/zinc/21/90/47/1038219047.db2.gz RCUZDYVMUABKLS-UHFFFAOYSA-N 1 0 322.374 4.454 20 30 DIEDRO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000599046445 1038222689 /nfs/dbraw/zinc/22/26/89/1038222689.db2.gz PVQOXZXSRFBCJJ-GFCCVEGCSA-N 1 0 307.235 4.102 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)cc2)c2cc(F)ccc2O1 ZINC000593673203 1038234531 /nfs/dbraw/zinc/23/45/31/1038234531.db2.gz BMZQTHHSUATUSI-KRWDZBQOSA-N 1 0 310.372 4.089 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)CC2 ZINC000599088675 1038237703 /nfs/dbraw/zinc/23/77/03/1038237703.db2.gz SHVJKYBRHZWMNI-AWEZNQCLSA-N 1 0 322.355 4.416 20 30 DIEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341710661 1038239315 /nfs/dbraw/zinc/23/93/15/1038239315.db2.gz NQBIZHBBBHMDLB-BTYIYWSLSA-N 1 0 320.436 4.252 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000341758658 1038260919 /nfs/dbraw/zinc/26/09/19/1038260919.db2.gz AQEZDHCXDVOBFH-XOBRGWDASA-N 1 0 301.393 4.158 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341761531 1038263653 /nfs/dbraw/zinc/26/36/53/1038263653.db2.gz PPHGBVNELFQZNW-IBGZPJMESA-N 1 0 308.450 4.447 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000341760628 1038263807 /nfs/dbraw/zinc/26/38/07/1038263807.db2.gz MGZLJYDDOKAQFK-ORAYPTAESA-N 1 0 321.380 4.195 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1C#N ZINC000599277350 1038265029 /nfs/dbraw/zinc/26/50/29/1038265029.db2.gz MPYJJDZXZPFESM-UHFFFAOYSA-N 1 0 312.457 4.180 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341763381 1038265122 /nfs/dbraw/zinc/26/51/22/1038265122.db2.gz XXOVKUKAKTYPQG-FQEVSTJZSA-N 1 0 306.409 4.124 20 30 DIEDRO CCC[C@@H](C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000603681774 1038266632 /nfs/dbraw/zinc/26/66/32/1038266632.db2.gz XOSRTJDHZFTRPH-MRXNPFEDSA-N 1 0 308.425 4.415 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341814436 1038276943 /nfs/dbraw/zinc/27/69/43/1038276943.db2.gz PGZPNAUXKTXWIW-WOJBJXKFSA-N 1 0 318.420 4.221 20 30 DIEDRO Cc1cnc(C2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)s1 ZINC000599384941 1038277438 /nfs/dbraw/zinc/27/74/38/1038277438.db2.gz DGHRINAPJGIWSN-UHFFFAOYSA-N 1 0 311.454 4.011 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1C#N ZINC000599426270 1038279233 /nfs/dbraw/zinc/27/92/33/1038279233.db2.gz ALOKCCGHKYJUNJ-HXUWFJFHSA-N 1 0 303.409 4.391 20 30 DIEDRO CC[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000603837464 1038292746 /nfs/dbraw/zinc/29/27/46/1038292746.db2.gz WKMSQDTVKMNAMB-UHFFFAOYSA-N 1 0 320.845 4.174 20 30 DIEDRO C[N@H+](CCOc1cccc(C#N)c1)Cc1cccc2ccccc21 ZINC000603850605 1038297102 /nfs/dbraw/zinc/29/71/02/1038297102.db2.gz LBTLVEFSNTYXBY-UHFFFAOYSA-N 1 0 316.404 4.222 20 30 DIEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000603857070 1038302180 /nfs/dbraw/zinc/30/21/80/1038302180.db2.gz PSDNWNQKDBWTER-HXUWFJFHSA-N 1 0 315.420 4.457 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000341873947 1038304855 /nfs/dbraw/zinc/30/48/55/1038304855.db2.gz JGLVIOFBBAGXCY-DJJJIMSYSA-N 1 0 324.399 4.434 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000603889923 1038314066 /nfs/dbraw/zinc/31/40/66/1038314066.db2.gz FNNBPYLTMBOPNW-IBGZPJMESA-N 1 0 315.420 4.419 20 30 DIEDRO CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1CCCSCC#N ZINC000599630848 1038322778 /nfs/dbraw/zinc/32/27/78/1038322778.db2.gz VZLSRJVOEMWECX-MRXNPFEDSA-N 1 0 306.450 4.040 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH+]2C3CCC2CC3)c1 ZINC000535779899 1038333238 /nfs/dbraw/zinc/33/32/38/1038333238.db2.gz OIORGZZLYFWBJG-UHFFFAOYSA-N 1 0 318.420 4.264 20 30 DIEDRO COC[C@@H](C)[N@H+](CCCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000599681162 1038336928 /nfs/dbraw/zinc/33/69/28/1038336928.db2.gz DCKDQRMZMQEKNO-APWZRJJASA-N 1 0 314.473 4.341 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)CC(F)F)cc1Cl ZINC000647225954 1038351337 /nfs/dbraw/zinc/35/13/37/1038351337.db2.gz JSRHRNQDOADVTL-NSHDSACASA-N 1 0 303.780 4.286 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc(C)c1F ZINC000610812447 1038357460 /nfs/dbraw/zinc/35/74/60/1038357460.db2.gz AWBBGJPOSLTEAB-CYBMUJFWSA-N 1 0 300.352 4.304 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)c1cccc(C#N)c1 ZINC000610830542 1038371656 /nfs/dbraw/zinc/37/16/56/1038371656.db2.gz ZWCWUCDMLUXYPX-KBPBESRZSA-N 1 0 311.404 4.175 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000610829690 1038371748 /nfs/dbraw/zinc/37/17/48/1038371748.db2.gz DYPFOTFFLNEIDD-KBPBESRZSA-N 1 0 309.369 4.187 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000610829796 1038373416 /nfs/dbraw/zinc/37/34/16/1038373416.db2.gz LKXALVCKBAOKCO-WFASDCNBSA-N 1 0 311.454 4.305 20 30 DIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991998 1038419843 /nfs/dbraw/zinc/41/98/43/1038419843.db2.gz YMCMFGJOROHTFO-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO N#Cc1cc(C[N@H+](Cc2ccccc2)C2CCCCC2)ccn1 ZINC000610991398 1038419992 /nfs/dbraw/zinc/41/99/92/1038419992.db2.gz ICQTZYKMIOQWSK-UHFFFAOYSA-N 1 0 305.425 4.288 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1C#N ZINC000610991580 1038420346 /nfs/dbraw/zinc/42/03/46/1038420346.db2.gz RGZWBVKXSCBEJW-GOSISDBHSA-N 1 0 310.372 4.043 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520678 1038420627 /nfs/dbraw/zinc/42/06/27/1038420627.db2.gz BBHXJLUVVOMZNL-SFTDATJTSA-N 1 0 320.436 4.158 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610993982 1038421712 /nfs/dbraw/zinc/42/17/12/1038421712.db2.gz PNVPAIPWKXNTKL-UONOGXRCSA-N 1 0 313.832 4.231 20 30 DIEDRO COCc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000610993665 1038422252 /nfs/dbraw/zinc/42/22/52/1038422252.db2.gz AEYZJVQLKRNEOY-LEWJYISDSA-N 1 0 320.436 4.105 20 30 DIEDRO CC[N@H+](Cc1ccnc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000610991892 1038422411 /nfs/dbraw/zinc/42/24/11/1038422411.db2.gz VQGQCLTVRBRSEO-AWEZNQCLSA-N 1 0 305.381 4.283 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610993516 1038422690 /nfs/dbraw/zinc/42/26/90/1038422690.db2.gz SYDSCVUUNXQDOK-CYBMUJFWSA-N 1 0 311.816 4.332 20 30 DIEDRO N#Cc1cc(C[N@@H+](Cc2ccccc2F)C2CCCCC2)ccn1 ZINC000610992643 1038423856 /nfs/dbraw/zinc/42/38/56/1038423856.db2.gz WPFYUFLIJGOPEF-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO N#Cc1cc(C[N@@H+](CCc2ccccc2F)C2CCCC2)ccn1 ZINC000610992244 1038424025 /nfs/dbraw/zinc/42/40/25/1038424025.db2.gz NGRJTEZGWPRZDV-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610993517 1038424287 /nfs/dbraw/zinc/42/42/87/1038424287.db2.gz SYDSCVUUNXQDOK-ZDUSSCGKSA-N 1 0 311.816 4.332 20 30 DIEDRO N#Cc1cc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)ccn1 ZINC000610994781 1038425362 /nfs/dbraw/zinc/42/53/62/1038425362.db2.gz QQZCZYAQWPBSEO-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO C[N@H+](Cc1ccnc(C#N)c1)C1c2ccccc2-c2ccccc21 ZINC000610994452 1038425777 /nfs/dbraw/zinc/42/57/77/1038425777.db2.gz DCOGYYWCBTVGRI-UHFFFAOYSA-N 1 0 311.388 4.155 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccnc(C#N)c1)CC1CCC1 ZINC000610993198 1038426036 /nfs/dbraw/zinc/42/60/36/1038426036.db2.gz GSVCYDWIRYYBBG-MRXNPFEDSA-N 1 0 305.425 4.317 20 30 DIEDRO CC[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000061783121 1038451204 /nfs/dbraw/zinc/45/12/04/1038451204.db2.gz LZWNOQBTSMWVPM-UHFFFAOYSA-N 1 0 320.845 4.174 20 30 DIEDRO COCCCC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000926329307 1038453545 /nfs/dbraw/zinc/45/35/45/1038453545.db2.gz CZESYJXAEAUWBV-FUHWJXTLSA-N 1 0 302.462 4.462 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC(F)(F)C2)cc1 ZINC000277240451 1038462042 /nfs/dbraw/zinc/46/20/42/1038462042.db2.gz ZRXHADJOXSPRIE-LLVKDONJSA-N 1 0 301.764 4.266 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000171769824 1038485624 /nfs/dbraw/zinc/48/56/24/1038485624.db2.gz ZCQBBOTXKSQMSL-UHFFFAOYSA-N 1 0 302.377 4.032 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000171769661 1038486609 /nfs/dbraw/zinc/48/66/09/1038486609.db2.gz WDMSMXQWDMCGBQ-UHFFFAOYSA-N 1 0 321.207 4.186 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000538720764 1038491450 /nfs/dbraw/zinc/49/14/50/1038491450.db2.gz UYBSIBIZGCKIFE-DOMZBBRYSA-N 1 0 300.402 4.137 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CCC)c1ncccc1Cl ZINC000926344054 1038500470 /nfs/dbraw/zinc/50/04/70/1038500470.db2.gz TZEYIDFYRQFSKL-LXZKKBNFSA-N 1 0 308.853 4.147 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)c1 ZINC000605323240 1038506963 /nfs/dbraw/zinc/50/69/63/1038506963.db2.gz NTMXLDLWAUUGQC-PKOBYXMFSA-N 1 0 317.473 4.182 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCOC1CCCCCC1 ZINC000605322773 1038507246 /nfs/dbraw/zinc/50/72/46/1038507246.db2.gz DGDJVVOLIFYXDA-UHFFFAOYSA-N 1 0 303.446 4.080 20 30 DIEDRO CCc1nc(C)c([C@H](C)N(C)Cc2csc(C#N)c2)s1 ZINC000892101711 1038514713 /nfs/dbraw/zinc/51/47/13/1038514713.db2.gz BLWRSFBNILTKNE-NSHDSACASA-N 1 0 305.472 4.140 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000172116731 1038549138 /nfs/dbraw/zinc/54/91/38/1038549138.db2.gz PADYJGMZOLGVBW-HXUWFJFHSA-N 1 0 309.384 4.005 20 30 DIEDRO C=CCCC[N@@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000605740680 1038549860 /nfs/dbraw/zinc/54/98/60/1038549860.db2.gz LPKPBCAJZQPDKJ-KRWDZBQOSA-N 1 0 322.452 4.053 20 30 DIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000593930453 1038564730 /nfs/dbraw/zinc/56/47/30/1038564730.db2.gz AGQRFALDCNUYTL-INIZCTEOSA-N 1 0 305.425 4.196 20 30 DIEDRO Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)c21 ZINC000539610506 1038580985 /nfs/dbraw/zinc/58/09/85/1038580985.db2.gz YWAHBUNUPBJXGA-AWEZNQCLSA-N 1 0 321.399 4.380 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000593962505 1038590849 /nfs/dbraw/zinc/59/08/49/1038590849.db2.gz XQRIVFJQWFFISA-ZDUSSCGKSA-N 1 0 311.816 4.332 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000342430423 1038596274 /nfs/dbraw/zinc/59/62/74/1038596274.db2.gz FXLGIELILKADFA-HNNXBMFYSA-N 1 0 321.424 4.495 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c(Cl)c1 ZINC000615224981 1038615909 /nfs/dbraw/zinc/61/59/09/1038615909.db2.gz BIGUABWQMHAFPJ-GOSISDBHSA-N 1 0 312.800 4.254 20 30 DIEDRO C=CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000606896286 1038636423 /nfs/dbraw/zinc/63/64/23/1038636423.db2.gz CTIFHDOCIDEIKG-NRFANRHFSA-N 1 0 323.436 4.227 20 30 DIEDRO CC(C)OC1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000611589091 1038639402 /nfs/dbraw/zinc/63/94/02/1038639402.db2.gz MVLVGNNHHCGQPG-IUDNXUCKSA-N 1 0 304.409 4.084 20 30 DIEDRO CC(C)OC1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000611589099 1038640132 /nfs/dbraw/zinc/64/01/32/1038640132.db2.gz MVLVGNNHHCGQPG-JEYLPNPQSA-N 1 0 304.409 4.084 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1cc(C#N)ccc1F ZINC000582378181 1038644715 /nfs/dbraw/zinc/64/47/15/1038644715.db2.gz ROGASGJQJLRLIV-FQEVSTJZSA-N 1 0 324.399 4.215 20 30 DIEDRO C=CCCC[NH2+]C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000607149275 1038659684 /nfs/dbraw/zinc/65/96/84/1038659684.db2.gz BOYXJHJKNFVUPY-UHFFFAOYSA-N 1 0 311.425 4.349 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc(C#N)c1)CCC2 ZINC000152574583 1038677648 /nfs/dbraw/zinc/67/76/48/1038677648.db2.gz XEYBHYIKYBIMLM-INIZCTEOSA-N 1 0 311.454 4.087 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000684930200 1038715410 /nfs/dbraw/zinc/71/54/10/1038715410.db2.gz XWKYEHGNLSTIAM-MRXNPFEDSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000684930199 1038715733 /nfs/dbraw/zinc/71/57/33/1038715733.db2.gz XWKYEHGNLSTIAM-INIZCTEOSA-N 1 0 303.837 4.029 20 30 DIEDRO C[C@H]([NH2+]CCCc1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000479551355 1038719494 /nfs/dbraw/zinc/71/94/94/1038719494.db2.gz DNLPVWJDNKPTIY-ZDUSSCGKSA-N 1 0 300.352 4.120 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1F ZINC000611689468 1038751476 /nfs/dbraw/zinc/75/14/76/1038751476.db2.gz HZJKWLXWDHSMSA-QGZVFWFLSA-N 1 0 317.795 4.233 20 30 DIEDRO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(CC#N)CC3)o2)cc1C ZINC000611687840 1038752146 /nfs/dbraw/zinc/75/21/46/1038752146.db2.gz NSMDGJPWERDVLW-HNNXBMFYSA-N 1 0 324.428 4.040 20 30 DIEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001167598958 1038757855 /nfs/dbraw/zinc/75/78/55/1038757855.db2.gz MPFRSHXAFXLUKH-OAQYLSRUSA-N 1 0 304.437 4.403 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000097357097 1038758225 /nfs/dbraw/zinc/75/82/25/1038758225.db2.gz WQWDDRQATLTSHJ-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000657529258 1038763492 /nfs/dbraw/zinc/76/34/92/1038763492.db2.gz AITVXVPQQBILME-ZBFHGGJFSA-N 1 0 318.427 4.128 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000657531413 1038765705 /nfs/dbraw/zinc/76/57/05/1038765705.db2.gz YPNPZJALLMCVRR-KBMXLJTQSA-N 1 0 306.475 4.219 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000657529643 1038767336 /nfs/dbraw/zinc/76/73/36/1038767336.db2.gz YCJGBGUDHPAVNX-AEFFLSMTSA-N 1 0 312.461 4.237 20 30 DIEDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075675564 1038811568 /nfs/dbraw/zinc/81/15/68/1038811568.db2.gz FBQASQFNHZJIHX-INIZCTEOSA-N 1 0 324.428 4.009 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000076734071 1038853851 /nfs/dbraw/zinc/85/38/51/1038853851.db2.gz CPHRSQYSOWNMOG-LBPRGKRZSA-N 1 0 305.809 4.349 20 30 DIEDRO C=CCC1([NH2+]Cc2csc(-c3cccs3)n2)CCOCC1 ZINC000657633410 1038930704 /nfs/dbraw/zinc/93/07/04/1038930704.db2.gz OINKQWJGAGVSDY-UHFFFAOYSA-N 1 0 320.483 4.087 20 30 DIEDRO C=CCC1([NH2+]Cc2nc(-c3ccccc3)cs2)CCOCC1 ZINC000657633412 1038931183 /nfs/dbraw/zinc/93/11/83/1038931183.db2.gz OJMOVAWPQNWONV-UHFFFAOYSA-N 1 0 314.454 4.025 20 30 DIEDRO C=CCC1([NH2+]Cc2csc(-c3ccccc3)n2)CCOCC1 ZINC000657633174 1038931721 /nfs/dbraw/zinc/93/17/21/1038931721.db2.gz ROLOJJQSSOHIAE-UHFFFAOYSA-N 1 0 314.454 4.025 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCC(C)CC2)ccc1OC ZINC000174387060 1038933577 /nfs/dbraw/zinc/93/35/77/1038933577.db2.gz QYQLGWWGDOFNSM-PREGVCBESA-N 1 0 316.445 4.044 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000608860498 1038937704 /nfs/dbraw/zinc/93/77/04/1038937704.db2.gz QSHABQOIXWJRPV-MJGOQNOKSA-N 1 0 300.446 4.428 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)c2cccc(C)c2)cc1 ZINC000237618979 1038950252 /nfs/dbraw/zinc/95/02/52/1038950252.db2.gz HADJVGLJDDPAJR-UHFFFAOYSA-N 1 0 307.437 4.422 20 30 DIEDRO CSCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000534107626 1038986099 /nfs/dbraw/zinc/98/60/99/1038986099.db2.gz MIPJOFRCUPLKIM-UHFFFAOYSA-N 1 0 314.429 4.063 20 30 DIEDRO C=CCC1([NH2+]Cc2cncc(Br)c2C)CCCC1 ZINC000657703140 1039039014 /nfs/dbraw/zinc/03/90/14/1039039014.db2.gz UTRDIJLVQPRSQF-UHFFFAOYSA-N 1 0 309.251 4.131 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000178782430 1039133775 /nfs/dbraw/zinc/13/37/75/1039133775.db2.gz WROJTZRZSXMLEC-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO CCN(CC)c1ccc(C=[NH+]OCc2ccccc2)cc1F ZINC000739411073 1039194995 /nfs/dbraw/zinc/19/49/95/1039194995.db2.gz FJQOQFJZASUPPG-UHFFFAOYSA-N 1 0 300.377 4.223 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000278155115 1039225661 /nfs/dbraw/zinc/22/56/61/1039225661.db2.gz ANGRYFHKXJONGY-UGSOOPFHSA-N 1 0 309.369 4.268 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000176636921 1039260687 /nfs/dbraw/zinc/26/06/87/1039260687.db2.gz WXGVILCCHNGAKS-GOSISDBHSA-N 1 0 304.393 4.094 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(COc3ccccc3)c2)o1 ZINC000539432789 1039262616 /nfs/dbraw/zinc/26/26/16/1039262616.db2.gz PCEWLHZCUGCOHS-UHFFFAOYSA-N 1 0 318.376 4.020 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCC1)c1cccc(C#N)c1 ZINC000539494288 1039268213 /nfs/dbraw/zinc/26/82/13/1039268213.db2.gz DFHZSMXKVWVKES-OAHLLOKOSA-N 1 0 308.400 4.470 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(SCC)cc2)CC1 ZINC000535991075 1039269087 /nfs/dbraw/zinc/26/90/87/1039269087.db2.gz RTXHKHYDTNVVSL-HNNXBMFYSA-N 1 0 304.503 4.100 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000539499366 1039276395 /nfs/dbraw/zinc/27/63/95/1039276395.db2.gz PRAMLVKSTZLEAS-KPOBHBOGSA-N 1 0 324.399 4.268 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1ccc(C#N)cc1 ZINC000278206875 1039283154 /nfs/dbraw/zinc/28/31/54/1039283154.db2.gz HHZCJDJVLYWGCU-LIRRHRJNSA-N 1 0 324.424 4.377 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539606685 1039298041 /nfs/dbraw/zinc/29/80/41/1039298041.db2.gz UCQCWRZCRKSWQQ-QAPCUYQASA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@@H](C#N)C[N@H+](C[C@@H](C)c1cccc(Br)c1)C1CC1 ZINC000539825465 1039343824 /nfs/dbraw/zinc/34/38/24/1039343824.db2.gz TZZLYFJATVEELZ-QWHCGFSZSA-N 1 0 321.262 4.177 20 30 DIEDRO CCc1oc2ccccc2c1CN(C)Cc1ccccc1C#N ZINC000611767237 1039312914 /nfs/dbraw/zinc/31/29/14/1039312914.db2.gz KLPVVWPHMNGMLQ-UHFFFAOYSA-N 1 0 304.393 4.499 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C#N)cc1 ZINC000278251735 1039324764 /nfs/dbraw/zinc/32/47/64/1039324764.db2.gz MQBJMKSHDKCPTO-BFUOFWGJSA-N 1 0 321.380 4.195 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000539827731 1039354571 /nfs/dbraw/zinc/35/45/71/1039354571.db2.gz VBXQOULMSZNWNJ-UHFFFAOYSA-N 1 0 311.429 4.447 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](COCC)C2)cc1Cl ZINC000539826452 1039354683 /nfs/dbraw/zinc/35/46/83/1039354683.db2.gz SAIRFEDDRSLWKF-MRXNPFEDSA-N 1 0 323.864 4.153 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000539827904 1039357883 /nfs/dbraw/zinc/35/78/83/1039357883.db2.gz OPYJRXMFDVBFRJ-INIZCTEOSA-N 1 0 311.425 4.020 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000278306241 1039370490 /nfs/dbraw/zinc/37/04/90/1039370490.db2.gz SMPFCBTUAAGXLP-MRXNPFEDSA-N 1 0 316.351 4.401 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000462848648 1039402107 /nfs/dbraw/zinc/40/21/07/1039402107.db2.gz UVWWRWHIHCBZSN-LLVKDONJSA-N 1 0 304.315 4.486 20 30 DIEDRO N#CCCCC[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000569633701 1039428838 /nfs/dbraw/zinc/42/88/38/1039428838.db2.gz FRDDQCPVWGBNGS-UHFFFAOYSA-N 1 0 306.453 4.371 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)c2cccnc12 ZINC000052580708 1039457436 /nfs/dbraw/zinc/45/74/36/1039457436.db2.gz XHTZTRVSFYWCEY-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCOc1ccccc1C#N ZINC000540324266 1039478659 /nfs/dbraw/zinc/47/86/59/1039478659.db2.gz JWNBGFFGDHJYQZ-MRXNPFEDSA-N 1 0 324.424 4.075 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000540341726 1039481401 /nfs/dbraw/zinc/48/14/01/1039481401.db2.gz SETROJHKAUREPL-IBGZPJMESA-N 1 0 308.425 4.444 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000540396339 1039486860 /nfs/dbraw/zinc/48/68/60/1039486860.db2.gz OICMGLLQNKHKII-BBRMVZONSA-N 1 0 315.379 4.177 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccno1)c1ccc(C(F)(F)F)cc1 ZINC000540427988 1039493323 /nfs/dbraw/zinc/49/33/23/1039493323.db2.gz KIXMVGFJHSNOLX-OAHLLOKOSA-N 1 0 310.319 4.491 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000540459010 1039496263 /nfs/dbraw/zinc/49/62/63/1039496263.db2.gz ULASLLFOHHPGNF-LJQANCHMSA-N 1 0 308.425 4.231 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000540460318 1039496637 /nfs/dbraw/zinc/49/66/37/1039496637.db2.gz IPZRSZMILMNYCC-PXNSSMCTSA-N 1 0 322.452 4.161 20 30 DIEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000317936843 1039507717 /nfs/dbraw/zinc/50/77/17/1039507717.db2.gz OCDWTEFENSZSQP-SNRMKQJTSA-N 1 0 300.446 4.454 20 30 DIEDRO CCc1ccc([C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000540597343 1039522629 /nfs/dbraw/zinc/52/26/29/1039522629.db2.gz MJAVBIIDJSBAEC-IERDGZPVSA-N 1 0 321.468 4.074 20 30 DIEDRO CCc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000540597337 1039524186 /nfs/dbraw/zinc/52/41/86/1039524186.db2.gz MJAVBIIDJSBAEC-HRAATJIYSA-N 1 0 321.468 4.074 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000540609661 1039527080 /nfs/dbraw/zinc/52/70/80/1039527080.db2.gz WIFWBPQPCBRNSA-LPMFXHHGSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Oc1cccc(Cl)c1 ZINC000540609254 1039528134 /nfs/dbraw/zinc/52/81/34/1039528134.db2.gz PALOAMIPOJCZNI-KBPBESRZSA-N 1 0 314.816 4.330 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)cs1 ZINC000052724060 1039534434 /nfs/dbraw/zinc/53/44/34/1039534434.db2.gz JIHNAWNYAKSRQV-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000540665036 1039539974 /nfs/dbraw/zinc/53/99/74/1039539974.db2.gz FNEFNOHKTDFOFO-QGZVFWFLSA-N 1 0 310.445 4.040 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000158707823 1039578970 /nfs/dbraw/zinc/57/89/70/1039578970.db2.gz KJIOQGBOICCSQA-LJQANCHMSA-N 1 0 307.441 4.223 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000278596787 1039582293 /nfs/dbraw/zinc/58/22/93/1039582293.db2.gz GRUMHVQELBKUAN-AWEZNQCLSA-N 1 0 315.417 4.142 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]2C ZINC000540995109 1039607721 /nfs/dbraw/zinc/60/77/21/1039607721.db2.gz NPHGEPKSVYXNTK-CABCVRRESA-N 1 0 306.409 4.075 20 30 DIEDRO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000541086771 1039617801 /nfs/dbraw/zinc/61/78/01/1039617801.db2.gz JEGPKTAKIHKCIU-INIZCTEOSA-N 1 0 320.436 4.271 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2ccc(F)c(F)c2)C2CC2)cc1 ZINC000541319467 1039664937 /nfs/dbraw/zinc/66/49/37/1039664937.db2.gz VJSZDFUCWRDOMX-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000278725368 1039677887 /nfs/dbraw/zinc/67/78/87/1039677887.db2.gz MJOSCYMJHNVZRC-PMACEKPBSA-N 1 0 308.425 4.113 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000278725372 1039678148 /nfs/dbraw/zinc/67/81/48/1039678148.db2.gz MJOSCYMJHNVZRC-UXHICEINSA-N 1 0 308.425 4.113 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)C(CC)CC)CC1 ZINC000657847428 1039699186 /nfs/dbraw/zinc/69/91/86/1039699186.db2.gz WGMUGPMZSQEPQO-PKOBYXMFSA-N 1 0 320.521 4.138 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000541596814 1039710043 /nfs/dbraw/zinc/71/00/43/1039710043.db2.gz FLMPYLBQQBAIGZ-MSOLQXFVSA-N 1 0 315.482 4.257 20 30 DIEDRO Cn1cc(C[NH2+][C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)cc1C#N ZINC000480309716 1039751371 /nfs/dbraw/zinc/75/13/71/1039751371.db2.gz LZQSNFJUQWHKJE-DNVCBOLYSA-N 1 0 319.452 4.286 20 30 DIEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000136603718 1039755708 /nfs/dbraw/zinc/75/57/08/1039755708.db2.gz MWFFEQXUEJFVBW-OXJNMPFZSA-N 1 0 308.425 4.348 20 30 DIEDRO C=CCSCC[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000541897572 1039757485 /nfs/dbraw/zinc/75/74/85/1039757485.db2.gz JZDDRVJBSAQJOG-MRXNPFEDSA-N 1 0 303.471 4.332 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)ccc1Oc1cccnc1 ZINC000541922389 1039758639 /nfs/dbraw/zinc/75/86/39/1039758639.db2.gz XQGJOPWSIDTLHR-UHFFFAOYSA-N 1 0 321.424 4.308 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Cl)cc(Br)c1)C1CC1 ZINC001168439780 1039789657 /nfs/dbraw/zinc/78/96/57/1039789657.db2.gz YRXYFJZJPXZSNV-UHFFFAOYSA-N 1 0 300.627 4.253 20 30 DIEDRO C[C@H](Cc1ccsc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000542152137 1039803767 /nfs/dbraw/zinc/80/37/67/1039803767.db2.gz HPORFULDAMFEJD-OAHLLOKOSA-N 1 0 308.450 4.340 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)c1cccc(C#N)c1 ZINC000611864336 1039823538 /nfs/dbraw/zinc/82/35/38/1039823538.db2.gz SJBOWGMEPRXNGH-LSDHHAIUSA-N 1 0 318.424 4.106 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccccc1C(C)(C)C#N ZINC000491384601 1039840026 /nfs/dbraw/zinc/84/00/26/1039840026.db2.gz UMQKBRMUNNGETQ-UHFFFAOYSA-N 1 0 308.425 4.311 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1 ZINC000271896562 1039874654 /nfs/dbraw/zinc/87/46/54/1039874654.db2.gz ULHGTRZILKZFFA-UZLBHIALSA-N 1 0 322.452 4.011 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271899942 1039874943 /nfs/dbraw/zinc/87/49/43/1039874943.db2.gz ABBZVDAPFONARI-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611870461 1039878035 /nfs/dbraw/zinc/87/80/35/1039878035.db2.gz OGSTWAATQXVDMR-SJORKVTESA-N 1 0 322.452 4.427 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271904066 1039879381 /nfs/dbraw/zinc/87/93/81/1039879381.db2.gz WFUKWKYGMWBAML-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000271978938 1039944348 /nfs/dbraw/zinc/94/43/48/1039944348.db2.gz WNGZUPLFHQUEGT-KDOFPFPSSA-N 1 0 311.404 4.449 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000248818484 1039945338 /nfs/dbraw/zinc/94/53/38/1039945338.db2.gz DZACMPIQSXCRNZ-RWMBFGLXSA-N 1 0 303.381 4.127 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000271978935 1039946404 /nfs/dbraw/zinc/94/64/04/1039946404.db2.gz WNGZUPLFHQUEGT-KBXCAEBGSA-N 1 0 311.404 4.449 20 30 DIEDRO Cc1cc(C[NH2+]CCSCc2ccccc2F)ccc1C#N ZINC000443957763 1039974093 /nfs/dbraw/zinc/97/40/93/1039974093.db2.gz DZAWFMRYVCFUMS-UHFFFAOYSA-N 1 0 314.429 4.029 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCSc3ccc(F)cc32)ccc1C#N ZINC000443960434 1039976469 /nfs/dbraw/zinc/97/64/69/1039976469.db2.gz GORVKLCEPOXCKV-KRWDZBQOSA-N 1 0 312.413 4.333 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC000492607555 1039984060 /nfs/dbraw/zinc/98/40/60/1039984060.db2.gz NBXUQYUJOYAOHY-AWEZNQCLSA-N 1 0 309.251 4.235 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(OCC(C)C)c2)ccc1C#N ZINC000443972777 1039988888 /nfs/dbraw/zinc/98/88/88/1039988888.db2.gz NNHBVZXMCWSBSH-UHFFFAOYSA-N 1 0 308.425 4.191 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c(OC(C)C)c1 ZINC000443987652 1040007326 /nfs/dbraw/zinc/00/73/26/1040007326.db2.gz JQUKWAZNMDTWDS-UHFFFAOYSA-N 1 0 308.425 4.252 20 30 DIEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000728593895 1040013196 /nfs/dbraw/zinc/01/31/96/1040013196.db2.gz JNLLFIPPNWBZCC-UXHICEINSA-N 1 0 313.489 4.341 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000657889014 1040034295 /nfs/dbraw/zinc/03/42/95/1040034295.db2.gz OZOMJBNBNDEHQH-WDEREUQCSA-N 1 0 304.381 4.386 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC3(CCC3)CC2)cc1OC ZINC000685444030 1040050866 /nfs/dbraw/zinc/05/08/66/1040050866.db2.gz QPZRCESEGKEEBG-UHFFFAOYSA-N 1 0 301.430 4.026 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000611935512 1040095854 /nfs/dbraw/zinc/09/58/54/1040095854.db2.gz YNNULGMHCLUKRJ-IBGZPJMESA-N 1 0 313.489 4.133 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2cccs2)ccn1 ZINC000611941637 1040100823 /nfs/dbraw/zinc/10/08/23/1040100823.db2.gz BBFXCJQJUFGGMH-JTHGQSKGSA-N 1 0 323.465 4.473 20 30 DIEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000597210673 1040124519 /nfs/dbraw/zinc/12/45/19/1040124519.db2.gz HLXKHQLSSMKHLK-PXNSSMCTSA-N 1 0 324.468 4.146 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000657928884 1040186329 /nfs/dbraw/zinc/18/63/29/1040186329.db2.gz WBVZFEWLESRNTR-HOCLYGCPSA-N 1 0 313.470 4.430 20 30 DIEDRO C=C(C)[C@H]([NH2+]C1CC(CF)(CF)C1)c1ccc(F)c(F)c1 ZINC000657983478 1040246492 /nfs/dbraw/zinc/24/64/92/1040246492.db2.gz VAWWZDQMKVWGGF-HNNXBMFYSA-N 1 0 301.327 4.259 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000658029178 1040268557 /nfs/dbraw/zinc/26/85/57/1040268557.db2.gz HOCPDKAMRSXUEG-OQIJWPOYSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000658041772 1040278950 /nfs/dbraw/zinc/27/89/50/1040278950.db2.gz HOCPDKAMRSXUEG-NXWXRZEISA-N 1 0 300.446 4.026 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000658207207 1040355168 /nfs/dbraw/zinc/35/51/68/1040355168.db2.gz SOXFWTPPKNUCPT-CYBMUJFWSA-N 1 0 320.433 4.193 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000179736124 1040525768 /nfs/dbraw/zinc/52/57/68/1040525768.db2.gz NXMFXNNVGKIBCE-SFHVURJKSA-N 1 0 312.388 4.337 20 30 DIEDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356121710 1040540879 /nfs/dbraw/zinc/54/08/79/1040540879.db2.gz JWXYOKSTHVGEIW-LLVKDONJSA-N 1 0 316.392 4.150 20 30 DIEDRO CC[N@H+](C[C@@H](OC)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000558832468 1040560850 /nfs/dbraw/zinc/56/08/50/1040560850.db2.gz DARWTQGRBOAKAD-OXQOHEQNSA-N 1 0 308.425 4.329 20 30 DIEDRO CCCCCCCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177261825 1040589705 /nfs/dbraw/zinc/58/97/05/1040589705.db2.gz IOYAYTYOXYFZIK-UHFFFAOYSA-N 1 0 308.510 4.260 20 30 DIEDRO Cc1cnc([C@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000612576870 1040646770 /nfs/dbraw/zinc/64/67/70/1040646770.db2.gz FUFNNXJOFVMUIX-PXAZEXFGSA-N 1 0 311.454 4.094 20 30 DIEDRO N#Cc1c(F)cc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)cc1F ZINC001140754488 1040660164 /nfs/dbraw/zinc/66/01/64/1040660164.db2.gz BDBFGSJRPDEUIE-HNNXBMFYSA-N 1 0 304.384 4.239 20 30 DIEDRO C=C(C)CCC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC001125798335 1040671614 /nfs/dbraw/zinc/67/16/14/1040671614.db2.gz CXQPRGNHGLRFIS-UHFFFAOYSA-N 1 0 300.446 4.343 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](Cc2[nH]ncc2C)C(C)(C)C)cc1 ZINC000685833212 1040765704 /nfs/dbraw/zinc/76/57/04/1040765704.db2.gz SLGJRGLHJGRVTB-UHFFFAOYSA-N 1 0 313.445 4.084 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(C#N)cc1Cl ZINC000580028489 1040781527 /nfs/dbraw/zinc/78/15/27/1040781527.db2.gz GNXLFBXXIWBXMC-LLVKDONJSA-N 1 0 320.770 4.383 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(N(C)C)cc1 ZINC000177858677 1040799980 /nfs/dbraw/zinc/79/99/80/1040799980.db2.gz LFXLKSLJWOLIPG-IBGZPJMESA-N 1 0 311.404 4.004 20 30 DIEDRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC(C)(C)C#N ZINC000613145712 1040802045 /nfs/dbraw/zinc/80/20/45/1040802045.db2.gz BQIWJALHXYHJPT-HNNXBMFYSA-N 1 0 323.278 4.300 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000613254762 1040843592 /nfs/dbraw/zinc/84/35/92/1040843592.db2.gz YDGWREZTYSKJQO-SWLSCSKDSA-N 1 0 301.821 4.036 20 30 DIEDRO C[C@H]([NH2+]Cc1nc(C#N)cs1)C1(c2ccccc2)CCCC1 ZINC000581339693 1040851937 /nfs/dbraw/zinc/85/19/37/1040851937.db2.gz JZHDTCGVMDYRBW-AWEZNQCLSA-N 1 0 311.454 4.005 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1ccc(C#N)cc1 ZINC000414156866 1040936086 /nfs/dbraw/zinc/93/60/86/1040936086.db2.gz QZCCYXQCVHJWSY-WFASDCNBSA-N 1 0 311.454 4.305 20 30 DIEDRO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC(C)(C)CC#N)cc1F ZINC000414168252 1040946733 /nfs/dbraw/zinc/94/67/33/1040946733.db2.gz QKENSJKIRNURDZ-WBVHZDCISA-N 1 0 318.436 4.390 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000066610101 1040966312 /nfs/dbraw/zinc/96/63/12/1040966312.db2.gz BSRHQYYLHWSBPM-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000393761271 1041064803 /nfs/dbraw/zinc/06/48/03/1041064803.db2.gz LRNRFNULIIWQRE-CYBMUJFWSA-N 1 0 319.246 4.442 20 30 DIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000414339713 1041145235 /nfs/dbraw/zinc/14/52/35/1041145235.db2.gz LWYMHQQAZLJOPR-DCPHZVHLSA-N 1 0 306.409 4.021 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000180559977 1041171583 /nfs/dbraw/zinc/17/15/83/1041171583.db2.gz HPMDSOOPOUEQAK-NRFANRHFSA-N 1 0 320.436 4.008 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000809544550 1041189184 /nfs/dbraw/zinc/18/91/84/1041189184.db2.gz MILPWJNJGRVMIR-GOSISDBHSA-N 1 0 316.404 4.189 20 30 DIEDRO C#Cc1ccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000809559307 1041191297 /nfs/dbraw/zinc/19/12/97/1041191297.db2.gz MPRKICAKGNVPED-FGZHOGPDSA-N 1 0 319.448 4.268 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(OCCC)c(OC)c2)cc1 ZINC000809605727 1041192840 /nfs/dbraw/zinc/19/28/40/1041192840.db2.gz GZIBVBAGTARCLO-MRXNPFEDSA-N 1 0 323.436 4.316 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)cc1 ZINC000809619436 1041197924 /nfs/dbraw/zinc/19/79/24/1041197924.db2.gz YXHNUHSZTHGYGZ-UHFFFAOYSA-N 1 0 305.421 4.236 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)cc1 ZINC000809633244 1041208068 /nfs/dbraw/zinc/20/80/68/1041208068.db2.gz JCVUCEXDKFSOCK-UHFFFAOYSA-N 1 0 305.421 4.279 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CCC(F)(F)F)c1ccc(Cl)cc1F ZINC000809698394 1041219243 /nfs/dbraw/zinc/21/92/43/1041219243.db2.gz BGRKAMQLEMHDAS-TVQRCGJNSA-N 1 0 307.718 4.474 20 30 DIEDRO C#C[C@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccc(Cl)cc1F ZINC000809699335 1041219469 /nfs/dbraw/zinc/21/94/69/1041219469.db2.gz QJVLNRQHEVZUFI-GMXGEUMGSA-N 1 0 321.823 4.235 20 30 DIEDRO C#C[C@H](CC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000809686175 1041222850 /nfs/dbraw/zinc/22/28/50/1041222850.db2.gz XXTZZZJBSLXCQO-LLVKDONJSA-N 1 0 318.760 4.010 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809756052 1041248860 /nfs/dbraw/zinc/24/88/60/1041248860.db2.gz ULFAROCGFFWDQK-NHYWBVRUSA-N 1 0 302.245 4.361 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](C)[C@H](CC)c2ccncc2)cc1 ZINC000809765097 1041251398 /nfs/dbraw/zinc/25/13/98/1041251398.db2.gz KXHDYXYSEOOOED-HXUWFJFHSA-N 1 0 308.425 4.067 20 30 DIEDRO C[C@H](Nc1cc(N2CCCCC2)cc[nH+]1)c1cccc(C#N)c1 ZINC001167707364 1041272820 /nfs/dbraw/zinc/27/28/20/1041272820.db2.gz RQVPKZKNHCYFGH-HNNXBMFYSA-N 1 0 306.413 4.117 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001158522743 1041276957 /nfs/dbraw/zinc/27/69/57/1041276957.db2.gz GDBCXEZPJAHGEH-HXUWFJFHSA-N 1 0 322.537 4.462 20 30 DIEDRO C=CCOCc1nn([C@@H](CC)CCCCCC)c2c1C[NH2+]C2 ZINC001170591727 1041281765 /nfs/dbraw/zinc/28/17/65/1041281765.db2.gz FDGWENZTPAJYNP-HNNXBMFYSA-N 1 0 305.466 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129615 1041315377 /nfs/dbraw/zinc/31/53/77/1041315377.db2.gz IAKBFOHLAHDWHS-CVEARBPZSA-N 1 0 300.446 4.209 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)n1 ZINC000810131346 1041316911 /nfs/dbraw/zinc/31/69/11/1041316911.db2.gz XCCIJIABPYLHSV-SFHVURJKSA-N 1 0 311.454 4.426 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc2sccc2c1 ZINC000810159672 1041328492 /nfs/dbraw/zinc/32/84/92/1041328492.db2.gz DOGFYONGRVEJJG-UHFFFAOYSA-N 1 0 307.418 4.203 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000810225852 1041341724 /nfs/dbraw/zinc/34/17/24/1041341724.db2.gz OLXKSGRLKKLKIK-INIZCTEOSA-N 1 0 316.404 4.098 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000924593931 1041348984 /nfs/dbraw/zinc/34/89/84/1041348984.db2.gz AIDAGDHENMLMLK-LBPRGKRZSA-N 1 0 314.351 4.046 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000810259684 1041349184 /nfs/dbraw/zinc/34/91/84/1041349184.db2.gz PKMLNJNSXKGRCO-KBXCAEBGSA-N 1 0 323.864 4.020 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1C ZINC000810250399 1041358391 /nfs/dbraw/zinc/35/83/91/1041358391.db2.gz HMIQHZCCWVYWLI-HNNXBMFYSA-N 1 0 324.424 4.043 20 30 DIEDRO COc1ccc(C[NH+]2CCCCCCC2)cc1OCCCC#N ZINC000158966447 1041404381 /nfs/dbraw/zinc/40/43/81/1041404381.db2.gz FRFNPUMOTAXGEH-UHFFFAOYSA-N 1 0 316.445 4.144 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000728711391 1041473667 /nfs/dbraw/zinc/47/36/67/1041473667.db2.gz BNYVPHVMPCPHTC-INIZCTEOSA-N 1 0 324.424 4.054 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)C2CCCCC2)cc1 ZINC000728711685 1041478345 /nfs/dbraw/zinc/47/83/45/1041478345.db2.gz GPDHZXOTFLEJDH-HZPDHXFCSA-N 1 0 300.446 4.283 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000728711787 1041478426 /nfs/dbraw/zinc/47/84/26/1041478426.db2.gz JKSSYFHRANQPIG-OCCSQVGLSA-N 1 0 300.427 4.198 20 30 DIEDRO CC(C)c1ccc(CC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728712946 1041478831 /nfs/dbraw/zinc/47/88/31/1041478831.db2.gz FYHPSSMNONINSP-QGZVFWFLSA-N 1 0 322.452 4.433 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCCc2ccccc2)cc1 ZINC000728713202 1041479179 /nfs/dbraw/zinc/47/91/79/1041479179.db2.gz UMHJKAVBAWNSNO-KRWDZBQOSA-N 1 0 308.425 4.090 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728713318 1041479944 /nfs/dbraw/zinc/47/99/44/1041479944.db2.gz ZDSMDAYEASPDKQ-JKSUJKDBSA-N 1 0 324.424 4.145 20 30 DIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728715113 1041481023 /nfs/dbraw/zinc/48/10/23/1041481023.db2.gz IGXLEMOWHKNHHJ-SZVBFZGTSA-N 1 0 300.446 4.426 20 30 DIEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728715325 1041482455 /nfs/dbraw/zinc/48/24/55/1041482455.db2.gz WZEOCEQLLSDMFA-AYOQOUSVSA-N 1 0 300.446 4.282 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1CCC(C#N)CC1 ZINC000930458967 1041485599 /nfs/dbraw/zinc/48/55/99/1041485599.db2.gz DNFHZVAROXAMEY-UHFFFAOYSA-N 1 0 314.477 4.172 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]CCc1ccc(F)cc1Cl ZINC000811497306 1041525879 /nfs/dbraw/zinc/52/58/79/1041525879.db2.gz VOPFIYGMDRLNHH-GOSISDBHSA-N 1 0 314.791 4.170 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1Br)C1CCC1 ZINC000481095580 1041527953 /nfs/dbraw/zinc/52/79/53/1041527953.db2.gz UERCCRAKHGPQCL-UHFFFAOYSA-N 1 0 307.235 4.084 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(F)cc1C#N ZINC001170639549 1041547236 /nfs/dbraw/zinc/54/72/36/1041547236.db2.gz QGKNKXSICKJGJY-STXHMFSFSA-N 1 0 308.400 4.464 20 30 DIEDRO Cc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)c2c(n1)CCCC2 ZINC000893194843 1041548761 /nfs/dbraw/zinc/54/87/61/1041548761.db2.gz MLYGAVMXFLUBBH-HXUWFJFHSA-N 1 0 319.452 4.404 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001125880856 1041573394 /nfs/dbraw/zinc/57/33/94/1041573394.db2.gz NTMJFWCOOUXQSJ-OKZBNKHCSA-N 1 0 310.526 4.362 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000236684492 1041592832 /nfs/dbraw/zinc/59/28/32/1041592832.db2.gz XZOSSISOLXICHU-UHFFFAOYSA-N 1 0 305.421 4.258 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170684216 1041640147 /nfs/dbraw/zinc/64/01/47/1041640147.db2.gz VXWIBKJXCUVVEP-HXUWFJFHSA-N 1 0 307.412 4.229 20 30 DIEDRO CCC(C)(C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000236859337 1041641425 /nfs/dbraw/zinc/64/14/25/1041641425.db2.gz FWXZJDNIPOARGF-UHFFFAOYSA-N 1 0 308.425 4.415 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@](C)(OC)C2CC2)cc1 ZINC000812734615 1041642428 /nfs/dbraw/zinc/64/24/28/1041642428.db2.gz OOTMLWFEXFDMQD-KSSFIOAISA-N 1 0 323.864 4.284 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000812792888 1041650969 /nfs/dbraw/zinc/65/09/69/1041650969.db2.gz JXEJFMGWZUHXHE-AHRSYUTCSA-N 1 0 308.400 4.211 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000812857000 1041652679 /nfs/dbraw/zinc/65/26/79/1041652679.db2.gz FLAZYHXRTYJODA-FQEVSTJZSA-N 1 0 317.473 4.187 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000812857357 1041652705 /nfs/dbraw/zinc/65/27/05/1041652705.db2.gz MLJWICSELOZARG-OXJNMPFZSA-N 1 0 317.473 4.185 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812900170 1041661055 /nfs/dbraw/zinc/66/10/55/1041661055.db2.gz QFGRVFTVMGKCBE-HZPDHXFCSA-N 1 0 315.461 4.002 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417347476 1041662611 /nfs/dbraw/zinc/66/26/11/1041662611.db2.gz HLBSJHIODAMYHE-TUKIKUTGSA-N 1 0 300.402 4.041 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000236694256 1041662947 /nfs/dbraw/zinc/66/29/47/1041662947.db2.gz BEERQKQLVBZBBF-SFHVURJKSA-N 1 0 309.434 4.025 20 30 DIEDRO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417362231 1041664472 /nfs/dbraw/zinc/66/44/72/1041664472.db2.gz JLKGUQCBHAOWLM-BLLLJJGKSA-N 1 0 312.438 4.357 20 30 DIEDRO CCC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417375920 1041667990 /nfs/dbraw/zinc/66/79/90/1041667990.db2.gz ZYMVILMFNCQNSO-UXHICEINSA-N 1 0 305.425 4.462 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CC2(c3ccccc3)CC2)cc1 ZINC000188715143 1041688103 /nfs/dbraw/zinc/68/81/03/1041688103.db2.gz ODVMYZQYNLQMRO-KRWDZBQOSA-N 1 0 320.436 4.141 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000584865939 1041694757 /nfs/dbraw/zinc/69/47/57/1041694757.db2.gz LVRGMQWZVJCIPV-WMLDXEAASA-N 1 0 300.446 4.357 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000747867044 1041726500 /nfs/dbraw/zinc/72/65/00/1041726500.db2.gz NJJUCHQJHUXJPM-HOTGVXAUSA-N 1 0 313.363 4.073 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000747871939 1041728041 /nfs/dbraw/zinc/72/80/41/1041728041.db2.gz NWTSGFKZCLPWJA-HZPDHXFCSA-N 1 0 314.256 4.361 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2occc2c1 ZINC000418136831 1041729741 /nfs/dbraw/zinc/72/97/41/1041729741.db2.gz AYMCMRPSFHIPSO-IBGZPJMESA-N 1 0 302.377 4.472 20 30 DIEDRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1(C#N)CCC1 ZINC000418140622 1041731646 /nfs/dbraw/zinc/73/16/46/1041731646.db2.gz JUEVGINZAIHGTC-ZDUSSCGKSA-N 1 0 310.363 4.310 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1sccc1Cl ZINC000418148984 1041732720 /nfs/dbraw/zinc/73/27/20/1041732720.db2.gz URDGRJFZJWYTEC-HNNXBMFYSA-N 1 0 302.830 4.440 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)cn1)C1CCCC1 ZINC000813868836 1041738431 /nfs/dbraw/zinc/73/84/31/1041738431.db2.gz MIXVVQZQWVBSOP-HXUWFJFHSA-N 1 0 305.425 4.283 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000813873783 1041740420 /nfs/dbraw/zinc/74/04/20/1041740420.db2.gz SORDAIJGPWPVCC-INIZCTEOSA-N 1 0 302.462 4.176 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000813880217 1041742339 /nfs/dbraw/zinc/74/23/39/1041742339.db2.gz CUIZQBJEZWMLMC-INIZCTEOSA-N 1 0 312.457 4.153 20 30 DIEDRO CCSCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000566650767 1041764110 /nfs/dbraw/zinc/76/41/10/1041764110.db2.gz YOLHIWIJGAFIBJ-NSHDSACASA-N 1 0 316.392 4.198 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)cc1 ZINC000236696797 1041777765 /nfs/dbraw/zinc/77/77/65/1041777765.db2.gz VFAGUILCUYJQTD-UHFFFAOYSA-N 1 0 311.400 4.253 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000747917561 1041791156 /nfs/dbraw/zinc/79/11/56/1041791156.db2.gz ZVGHPCAVGNLDJJ-IIDMSEBBSA-N 1 0 300.446 4.282 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000747917559 1041791652 /nfs/dbraw/zinc/79/16/52/1041791652.db2.gz ZVGHPCAVGNLDJJ-IDCNUPLLSA-N 1 0 300.446 4.282 20 30 DIEDRO COCc1ccccc1/C=C(/C)C=[NH+]n1cnc2ccccc21 ZINC000814217265 1041792197 /nfs/dbraw/zinc/79/21/97/1041792197.db2.gz YWLCWQFGAJIKAD-QHIPEDTBSA-N 1 0 305.381 4.120 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2ccccc2)C2CC2)cc1 ZINC000814297276 1041801345 /nfs/dbraw/zinc/80/13/45/1041801345.db2.gz FCISMXACXPVWHO-HRAATJIYSA-N 1 0 320.436 4.261 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccccc1 ZINC000747930142 1041808336 /nfs/dbraw/zinc/80/83/36/1041808336.db2.gz YPVUWZQVOKGBKS-IBGZPJMESA-N 1 0 301.393 4.369 20 30 DIEDRO CC(=O)Oc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000814658417 1041845394 /nfs/dbraw/zinc/84/53/94/1041845394.db2.gz CEQMYAANLZPZJF-HXUWFJFHSA-N 1 0 322.408 4.137 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000814661380 1041845505 /nfs/dbraw/zinc/84/55/05/1041845505.db2.gz YHQCQLSJWHKUSB-HXUWFJFHSA-N 1 0 319.408 4.114 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000814640310 1041846869 /nfs/dbraw/zinc/84/68/69/1041846869.db2.gz BDPKCAUMFYOWDS-HXUWFJFHSA-N 1 0 320.436 4.141 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)C1 ZINC000651670673 1041874099 /nfs/dbraw/zinc/87/40/99/1041874099.db2.gz RKERKYCHCZDKLG-CRAIPNDOSA-N 1 0 300.446 4.116 20 30 DIEDRO CC(C)c1cccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC001170769012 1041881758 /nfs/dbraw/zinc/88/17/58/1041881758.db2.gz KATIYZUZKXUDBA-UHFFFAOYSA-N 1 0 322.452 4.330 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000661114824 1041887969 /nfs/dbraw/zinc/88/79/69/1041887969.db2.gz MTTDVVSYVNWQPK-GOEBONIOSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C ZINC000661114077 1041888098 /nfs/dbraw/zinc/88/80/98/1041888098.db2.gz CSZDDGDPCZZVQL-SJLPKXTDSA-N 1 0 300.446 4.048 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000661118672 1041888232 /nfs/dbraw/zinc/88/82/32/1041888232.db2.gz JKBFKDOXYZOVDY-GOEBONIOSA-N 1 0 315.417 4.171 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C ZINC000661114075 1041888320 /nfs/dbraw/zinc/88/83/20/1041888320.db2.gz CSZDDGDPCZZVQL-AEFFLSMTSA-N 1 0 300.446 4.048 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1CC ZINC000661115858 1041888610 /nfs/dbraw/zinc/88/86/10/1041888610.db2.gz FSXPNZDNAAUZMX-MSOLQXFVSA-N 1 0 314.473 4.220 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1csc([C@@H](C)OCC)n1 ZINC000661118154 1041889264 /nfs/dbraw/zinc/88/92/64/1041889264.db2.gz XBLUYSIXUDKYTA-IIAWOOMASA-N 1 0 308.491 4.465 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Cl ZINC000661116228 1041889990 /nfs/dbraw/zinc/88/99/90/1041889990.db2.gz HYGBHIIPWUULGF-UKRRQHHQSA-N 1 0 306.837 4.003 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000651723994 1041894906 /nfs/dbraw/zinc/89/49/06/1041894906.db2.gz HONQIRZUNFTFNJ-GHMZBOCLSA-N 1 0 304.381 4.039 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C1 ZINC000651752861 1041904421 /nfs/dbraw/zinc/90/44/21/1041904421.db2.gz XCSWEUVQXMEOQV-GJZGRUSLSA-N 1 0 313.470 4.082 20 30 DIEDRO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC#N)cc1)C(C)(C)C2 ZINC000815185534 1041927478 /nfs/dbraw/zinc/92/74/78/1041927478.db2.gz ILRLJGGXBNJHFY-UHFFFAOYSA-N 1 0 320.436 4.234 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199925 1041928915 /nfs/dbraw/zinc/92/89/15/1041928915.db2.gz FFMCQNITECEOEI-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000661381015 1041929384 /nfs/dbraw/zinc/92/93/84/1041929384.db2.gz SXRLDILULXFKRQ-DOTOQJQBSA-N 1 0 311.429 4.010 20 30 DIEDRO C[N@@H+]1Cc2ccc(NCc3ccc(C(C)(C)C#N)cc3)cc2C1 ZINC000594505767 1041932040 /nfs/dbraw/zinc/93/20/40/1041932040.db2.gz YQRQFSGWWVIASD-UHFFFAOYSA-N 1 0 305.425 4.045 20 30 DIEDRO C=C(C)C[N@H+]1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001170784421 1041949795 /nfs/dbraw/zinc/94/97/95/1041949795.db2.gz UTLLYCLYZVOBPJ-OKILXGFUSA-N 1 0 312.379 4.181 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC001649144732 1041949826 /nfs/dbraw/zinc/94/98/26/1041949826.db2.gz KFGAMERYWMYJIP-WMZOPIPTSA-N 1 0 310.441 4.338 20 30 DIEDRO CCSc1cc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)ccn1 ZINC000278846260 1041952030 /nfs/dbraw/zinc/95/20/30/1041952030.db2.gz VFVHPYHUXGSMFJ-KRWDZBQOSA-N 1 0 311.454 4.306 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000815599560 1041970599 /nfs/dbraw/zinc/97/05/99/1041970599.db2.gz VZYZRRMGLBEEKX-VQTJNVASSA-N 1 0 321.420 4.279 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccccc1SC(C)(C)C ZINC000815600906 1041971392 /nfs/dbraw/zinc/97/13/92/1041971392.db2.gz IGUDSNMRMBVEAB-CABCVRRESA-N 1 0 307.503 4.412 20 30 DIEDRO N#CCC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815622314 1041976510 /nfs/dbraw/zinc/97/65/10/1041976510.db2.gz RIFYENQNAIUJMJ-LJQANCHMSA-N 1 0 320.436 4.350 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccoc2)c1 ZINC000066905401 1041979508 /nfs/dbraw/zinc/97/95/08/1041979508.db2.gz CAPPBQSOWOCGDZ-UHFFFAOYSA-N 1 0 318.376 4.020 20 30 DIEDRO C=CC[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C(C)(C)C ZINC000661756957 1041989818 /nfs/dbraw/zinc/98/98/18/1041989818.db2.gz ZCEHZVZNNIARRW-UHFFFAOYSA-N 1 0 305.809 4.177 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1SC)C(C)(C)C ZINC000661760472 1041992084 /nfs/dbraw/zinc/99/20/84/1041992084.db2.gz VDJOQIXWVQIZKI-UHFFFAOYSA-N 1 0 306.475 4.024 20 30 DIEDRO C=CCC1([NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)CCCC1 ZINC000661847582 1042005385 /nfs/dbraw/zinc/00/53/85/1042005385.db2.gz ALKHTJZIVGZFCW-UHFFFAOYSA-N 1 0 317.820 4.369 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2ccsc2)oc1C ZINC000662084747 1042059466 /nfs/dbraw/zinc/05/94/66/1042059466.db2.gz VXZSPKZBOFFYFU-GASCZTMLSA-N 1 0 300.427 4.395 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000662082325 1042059496 /nfs/dbraw/zinc/05/94/96/1042059496.db2.gz TUTXIPQQUATLEZ-RWMBFGLXSA-N 1 0 301.415 4.042 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sc(C)nc1C(F)(F)F ZINC000662090162 1042061643 /nfs/dbraw/zinc/06/16/43/1042061643.db2.gz KVKQTVWPJJMLRM-PHIMTYICSA-N 1 0 302.365 4.153 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](CC)C2)cc1 ZINC000817586471 1042118980 /nfs/dbraw/zinc/11/89/80/1042118980.db2.gz ORNOZIBFMDAADZ-USXIJHARSA-N 1 0 323.864 4.426 20 30 DIEDRO C=CC[C@]1(C(=O)Nc2cccc(Nc3ccccc3)c2)CCC[NH2+]1 ZINC000662491524 1042135321 /nfs/dbraw/zinc/13/53/21/1042135321.db2.gz JTPBJWSXQMRGJE-HXUWFJFHSA-N 1 0 321.424 4.067 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(N2CCCCCC2)cc1 ZINC000818356301 1042150869 /nfs/dbraw/zinc/15/08/69/1042150869.db2.gz NCLLYHMRRHWTRD-ZIFCJYIRSA-N 1 0 311.473 4.410 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3CCc4cccc(Cl)c4C3)(CC1)CC2 ZINC001170904126 1042153008 /nfs/dbraw/zinc/15/30/08/1042153008.db2.gz XNSMLVWCVRDAJL-MNNVXMFVSA-N 1 0 314.860 4.403 20 30 DIEDRO CCCCCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001136166438 1042161902 /nfs/dbraw/zinc/16/19/02/1042161902.db2.gz LERYRYDHRNNFAC-SFHVURJKSA-N 1 0 308.510 4.260 20 30 DIEDRO Cc1ccc([C@H](O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000819329509 1042178643 /nfs/dbraw/zinc/17/86/43/1042178643.db2.gz HYNHKYWPNAMRKM-WOJBJXKFSA-N 1 0 308.425 4.053 20 30 DIEDRO C=CCCCCCN(C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000128739807 1042180802 /nfs/dbraw/zinc/18/08/02/1042180802.db2.gz KXYRXJIEUNVCHO-UHFFFAOYSA-N 1 0 314.473 4.101 20 30 DIEDRO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccc(OCC#N)cc1 ZINC000319683125 1042208618 /nfs/dbraw/zinc/20/86/18/1042208618.db2.gz AWDQLZLFZLZNFC-UHCBGPFTSA-N 1 0 310.441 4.064 20 30 DIEDRO N#Cc1csc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000584687751 1042213378 /nfs/dbraw/zinc/21/33/78/1042213378.db2.gz LUECFJVYIXMHSE-QRVBRYPASA-N 1 0 308.450 4.388 20 30 DIEDRO CCCCCCCCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001136371068 1042227713 /nfs/dbraw/zinc/22/77/13/1042227713.db2.gz CDGREYWFOUHHDB-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820823732 1042229020 /nfs/dbraw/zinc/22/90/20/1042229020.db2.gz OSZWQRGTFUOHDH-GOSISDBHSA-N 1 0 319.832 4.399 20 30 DIEDRO CCOc1ccc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000821017316 1042238351 /nfs/dbraw/zinc/23/83/51/1042238351.db2.gz FNNVCYGDQSMEMV-JLHYYAGUSA-N 1 0 309.409 4.043 20 30 DIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc(Cl)s2)c1 ZINC000821022165 1042238976 /nfs/dbraw/zinc/23/89/76/1042238976.db2.gz PJAVLNYYYNLHGH-VURMDHGXSA-N 1 0 305.830 4.359 20 30 DIEDRO CC(C)([NH2+][C@H]1CCc2cccc(F)c2C1)c1ccc(C#N)cc1 ZINC001170958217 1042242047 /nfs/dbraw/zinc/24/20/47/1042242047.db2.gz UFMJGQABQXOCLO-KRWDZBQOSA-N 1 0 308.400 4.080 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1N[C@H]1CC[C@H](C#N)CC1 ZINC001167845657 1042266276 /nfs/dbraw/zinc/26/62/76/1042266276.db2.gz NRNWPXDNOXYYRD-JCNLHEQBSA-N 1 0 315.461 4.031 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CCC1 ZINC000931908495 1042283544 /nfs/dbraw/zinc/28/35/44/1042283544.db2.gz ADPDMHFRWJNPRW-AWEZNQCLSA-N 1 0 318.358 4.217 20 30 DIEDRO CCOCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000822525436 1042288944 /nfs/dbraw/zinc/28/89/44/1042288944.db2.gz GRPQZSZUHPSJOJ-MRXNPFEDSA-N 1 0 324.424 4.124 20 30 DIEDRO CC[NH+](CC)[C@H](C/N=C/c1cc(Cl)ccc1O)c1ccco1 ZINC000067005697 1042294461 /nfs/dbraw/zinc/29/44/61/1042294461.db2.gz OAGJCFSMDHRGSF-SKCQWOFPSA-N 1 0 320.820 4.141 20 30 DIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(CC)o1 ZINC000348870373 1042299412 /nfs/dbraw/zinc/29/94/12/1042299412.db2.gz SNUAZFVASYRGPK-UHFFFAOYSA-N 1 0 301.434 4.198 20 30 DIEDRO CCCCCCCCCC[NH2+][C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246212322 1042302841 /nfs/dbraw/zinc/30/28/41/1042302841.db2.gz NOEMZBOTMLALBW-LSDHHAIUSA-N 1 0 308.432 4.400 20 30 DIEDRO N#CCCN(Cc1cc2oc3ccccc3c2cc1O)CC1CC1 ZINC000728904718 1042308210 /nfs/dbraw/zinc/30/82/10/1042308210.db2.gz VMPZTNCAIYBQSJ-UHFFFAOYSA-N 1 0 320.392 4.417 20 30 DIEDRO C[C@@H]1c2ccccc2OCCN1CC#Cc1cccc(Cl)c1 ZINC001167867841 1042310085 /nfs/dbraw/zinc/31/00/85/1042310085.db2.gz LOFOJAZKGSADMV-OAHLLOKOSA-N 1 0 311.812 4.147 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000163319628 1042311334 /nfs/dbraw/zinc/31/13/34/1042311334.db2.gz DUHKYIXTPKYRDI-BXUZGUMPSA-N 1 0 310.235 4.217 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2c(Cl)cccc2C1)c1ccc(C#N)cc1 ZINC001171012701 1042320111 /nfs/dbraw/zinc/32/01/11/1042320111.db2.gz IPBNMIOXXCPEMB-CXAGYDPISA-N 1 0 310.828 4.420 20 30 DIEDRO CCN(Cc1ccnc(Cl)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000823403924 1042324379 /nfs/dbraw/zinc/32/43/79/1042324379.db2.gz GFTWYUANAZQJHZ-GFCCVEGCSA-N 1 0 317.795 4.329 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000436282627 1042325637 /nfs/dbraw/zinc/32/56/37/1042325637.db2.gz HUWUSQDWAYTSFD-UHEATSNUSA-N 1 0 319.411 4.314 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)N(C)Cc1nc(Cl)ccc1Cl ZINC000823618155 1042335586 /nfs/dbraw/zinc/33/55/86/1042335586.db2.gz OITFBZBOUWYFBN-LLVKDONJSA-N 1 0 320.223 4.453 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187422365 1042353541 /nfs/dbraw/zinc/35/35/41/1042353541.db2.gz ZEPZSQUCEKTOFL-MNOVXSKESA-N 1 0 315.230 4.379 20 30 DIEDRO N#Cc1cc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cs1 ZINC000894082092 1042406596 /nfs/dbraw/zinc/40/65/96/1042406596.db2.gz QXYKWPBOCVPNAM-UHFFFAOYSA-N 1 0 314.376 4.365 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000614160081 1042417963 /nfs/dbraw/zinc/41/79/63/1042417963.db2.gz BVJMVMRAFYJULL-HNNXBMFYSA-N 1 0 310.363 4.262 20 30 DIEDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160386 1042417991 /nfs/dbraw/zinc/41/79/91/1042417991.db2.gz XJGGLFXOWRMTCR-UHFFFAOYSA-N 1 0 322.452 4.136 20 30 DIEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000614163976 1042419011 /nfs/dbraw/zinc/41/90/11/1042419011.db2.gz YXLPBEKRVXTSID-ZCNNSNEGSA-N 1 0 312.457 4.119 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(F)cc2F)cc1 ZINC000236942690 1042419615 /nfs/dbraw/zinc/41/96/15/1042419615.db2.gz BVDWRMQBRIZDIR-IBGZPJMESA-N 1 0 315.363 4.218 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178685038 1042420567 /nfs/dbraw/zinc/42/05/67/1042420567.db2.gz NLHXCKFUGSCNHI-LSDHHAIUSA-N 1 0 324.380 4.019 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000614171353 1042421763 /nfs/dbraw/zinc/42/17/63/1042421763.db2.gz LETNWMNWNYACCC-LJQANCHMSA-N 1 0 305.425 4.220 20 30 DIEDRO CS[C@@H]1CCCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176289 1042422338 /nfs/dbraw/zinc/42/23/38/1042422338.db2.gz TXMBAXZFFNUIOB-QGZVFWFLSA-N 1 0 302.487 4.205 20 30 DIEDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614180162 1042422740 /nfs/dbraw/zinc/42/27/40/1042422740.db2.gz ZKTGKIOHSRYQJH-HNNXBMFYSA-N 1 0 308.425 4.347 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(C#N)cc1 ZINC000614179925 1042423559 /nfs/dbraw/zinc/42/35/59/1042423559.db2.gz RYKBWSIHQXOJTF-OAHLLOKOSA-N 1 0 303.409 4.210 20 30 DIEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614227422 1042441055 /nfs/dbraw/zinc/44/10/55/1042441055.db2.gz RUEVFBHTSAASCF-RTBURBONSA-N 1 0 314.473 4.171 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411542237 1042456333 /nfs/dbraw/zinc/45/63/33/1042456333.db2.gz IRZRNVKCENRZEA-OAHLLOKOSA-N 1 0 316.493 4.461 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419280660 1042459588 /nfs/dbraw/zinc/45/95/88/1042459588.db2.gz AGNZYVXIBMJBAS-MRXNPFEDSA-N 1 0 306.400 4.302 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419308371 1042465143 /nfs/dbraw/zinc/46/51/43/1042465143.db2.gz FGAZMUHIPZEVRB-GOSISDBHSA-N 1 0 300.446 4.250 20 30 DIEDRO CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237033060 1042466958 /nfs/dbraw/zinc/46/69/58/1042466958.db2.gz VZDGPQXILIHHMB-FXAWDEMLSA-N 1 0 322.452 4.478 20 30 DIEDRO CCC#C[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001167921065 1042473496 /nfs/dbraw/zinc/47/34/96/1042473496.db2.gz PMENXNIVLBHABF-CYBMUJFWSA-N 1 0 316.832 4.463 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000614396152 1042490005 /nfs/dbraw/zinc/49/00/05/1042490005.db2.gz ZOFCARXZHDSHIQ-CYBMUJFWSA-N 1 0 300.352 4.338 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000614402310 1042492057 /nfs/dbraw/zinc/49/20/57/1042492057.db2.gz RQYUEOIQDTUEJR-GOSISDBHSA-N 1 0 322.477 4.481 20 30 DIEDRO CCc1ccc([C@@H]([NH2+]CCOc2cccc(C#N)c2)C(C)C)cc1 ZINC001167928846 1042495360 /nfs/dbraw/zinc/49/53/60/1042495360.db2.gz VZEGGUDKANXAAY-NRFANRHFSA-N 1 0 322.452 4.486 20 30 DIEDRO COc1ccccc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001203433937 1042501898 /nfs/dbraw/zinc/50/18/98/1042501898.db2.gz DFPSTAOOOIQRBQ-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)CCCO2 ZINC000151150140 1042529950 /nfs/dbraw/zinc/52/99/50/1042529950.db2.gz HNJUBOQRSBZOJD-LJQANCHMSA-N 1 0 324.399 4.318 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(Cl)c1 ZINC000182594447 1042544561 /nfs/dbraw/zinc/54/45/61/1042544561.db2.gz DQHXRXKAFNRFQW-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+]CC1CCC(C#N)CC1 ZINC000513490617 1042547068 /nfs/dbraw/zinc/54/70/68/1042547068.db2.gz OLUKFHFFDGXXLB-WJDWOHSUSA-N 1 0 312.457 4.156 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000280597262 1042575912 /nfs/dbraw/zinc/57/59/12/1042575912.db2.gz IYXANSBNKIWVMB-MQMHXKEQSA-N 1 0 320.314 4.206 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000280734908 1042579076 /nfs/dbraw/zinc/57/90/76/1042579076.db2.gz HHTIPDDUYNZPIQ-SNPRPXQTSA-N 1 0 308.491 4.207 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 ZINC000618803414 1042600044 /nfs/dbraw/zinc/60/00/44/1042600044.db2.gz IJVWZLNWCYMLEQ-SPLOXXLWSA-N 1 0 302.421 4.385 20 30 DIEDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCCCC(C)(C)C#N)C1 ZINC000421007524 1042620083 /nfs/dbraw/zinc/62/00/83/1042620083.db2.gz HNRFRMRTTUOFNT-CVEARBPZSA-N 1 0 322.493 4.006 20 30 DIEDRO C=CCCc1ccccc1NC(=O)NCc1cc(C)nc(C)c1 ZINC000421122114 1042627267 /nfs/dbraw/zinc/62/72/67/1042627267.db2.gz OEFVKAOTOGHRNK-UHFFFAOYSA-N 1 0 309.413 4.139 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1F ZINC000421393068 1042636005 /nfs/dbraw/zinc/63/60/05/1042636005.db2.gz OBGCYLNHCFZHSL-CZIWCDLHSA-N 1 0 316.326 4.011 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccncc1Cl ZINC000421848352 1042660338 /nfs/dbraw/zinc/66/03/38/1042660338.db2.gz AIAXMKMWDCXGSN-XIKOKIGWSA-N 1 0 311.816 4.335 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)s2)C2CC2)c(F)c1 ZINC000421889728 1042661033 /nfs/dbraw/zinc/66/10/33/1042661033.db2.gz USHLEUAXYOUTLG-KRWDZBQOSA-N 1 0 316.401 4.008 20 30 DIEDRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(C#N)s1)CCCO2 ZINC000421867465 1042661722 /nfs/dbraw/zinc/66/17/22/1042661722.db2.gz CBBLAVPTQMYMAP-KRWDZBQOSA-N 1 0 312.438 4.240 20 30 DIEDRO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCC#N)CCC3)cc1 ZINC000273267230 1042680580 /nfs/dbraw/zinc/68/05/80/1042680580.db2.gz NYFNSHNXZNCFOG-HNNXBMFYSA-N 1 0 311.454 4.389 20 30 DIEDRO N#CCCC[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423132914 1042698562 /nfs/dbraw/zinc/69/85/62/1042698562.db2.gz PUAOEPOCUOMPOT-HSALFYBXSA-N 1 0 305.425 4.156 20 30 DIEDRO CC(C)C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000424184727 1042728586 /nfs/dbraw/zinc/72/85/86/1042728586.db2.gz FMBWKAUCFVBCMC-LYGPFTKASA-N 1 0 322.493 4.052 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000424187648 1042728849 /nfs/dbraw/zinc/72/88/49/1042728849.db2.gz AXBLRJYWHQMRFK-JOYOIKCWSA-N 1 0 302.727 4.141 20 30 DIEDRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424199374 1042729107 /nfs/dbraw/zinc/72/91/07/1042729107.db2.gz KTWPVFBJZFYUAJ-SIRQDLBWSA-N 1 0 308.347 4.391 20 30 DIEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)sc1Br ZINC000424206391 1042729922 /nfs/dbraw/zinc/72/99/22/1042729922.db2.gz WDYLDKCJXJFAEH-GARJFASQSA-N 1 0 313.264 4.162 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000424290372 1042731209 /nfs/dbraw/zinc/73/12/09/1042731209.db2.gz BNNWCVYZMFGPSH-MKBNYLNASA-N 1 0 314.256 4.105 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000424294904 1042731747 /nfs/dbraw/zinc/73/17/47/1042731747.db2.gz LTEGNGAXVFYKMY-ATLSCFEFSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000424299204 1042732059 /nfs/dbraw/zinc/73/20/59/1042732059.db2.gz VCFWFMFARZZCEK-UAGQMJEPSA-N 1 0 303.471 4.021 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000424300961 1042732232 /nfs/dbraw/zinc/73/22/32/1042732232.db2.gz YVKJUENWSHUKMV-FTRWYGJKSA-N 1 0 324.424 4.116 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000424300285 1042732411 /nfs/dbraw/zinc/73/24/11/1042732411.db2.gz XJMOLXVUERKAIF-QRTARXTBSA-N 1 0 314.454 4.052 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000424300611 1042732582 /nfs/dbraw/zinc/73/25/82/1042732582.db2.gz YBHCSSRGBSICIW-HFTRVMKXSA-N 1 0 303.446 4.106 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000424281885 1042732793 /nfs/dbraw/zinc/73/27/93/1042732793.db2.gz ONSGGSFOBPSXDJ-WPECMILSSA-N 1 0 321.411 4.375 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424318665 1042733951 /nfs/dbraw/zinc/73/39/51/1042733951.db2.gz DEUQVVQIMITVCN-KCQAQPDRSA-N 1 0 306.837 4.470 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000424332851 1042734481 /nfs/dbraw/zinc/73/44/81/1042734481.db2.gz TWJKWKARIVADGO-QKYXUNIQSA-N 1 0 308.400 4.391 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000424325441 1042734530 /nfs/dbraw/zinc/73/45/30/1042734530.db2.gz KWBZCUBPQIXMOP-MPMKUSMGSA-N 1 0 308.347 4.233 20 30 DIEDRO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C2CC2)cc1 ZINC000513881748 1042760021 /nfs/dbraw/zinc/76/00/21/1042760021.db2.gz VLYSSSZYFIICEZ-MRXNPFEDSA-N 1 0 304.384 4.348 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC2(C[NH+](C)C2)CC1 ZINC001269833041 1042776146 /nfs/dbraw/zinc/77/61/46/1042776146.db2.gz SGQNSECKDRTVJP-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnc(C2CCC2)s1 ZINC000425365468 1042798009 /nfs/dbraw/zinc/79/80/09/1042798009.db2.gz KTPJREQTJPYVJH-ZDUSSCGKSA-N 1 0 311.454 4.475 20 30 DIEDRO C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C[C@@H](CC)CCCC ZINC001269961078 1042801646 /nfs/dbraw/zinc/80/16/46/1042801646.db2.gz UENWJGWMLQFOKR-VJANTYMQSA-N 1 0 320.521 4.090 20 30 DIEDRO Cc1ccccc1C1CC([N@H+](Cc2ccc(C#N)cn2)C2CC2)C1 ZINC000515178484 1042812320 /nfs/dbraw/zinc/81/23/20/1042812320.db2.gz RLOWEPJTWGTMTK-UHFFFAOYSA-N 1 0 317.436 4.172 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000515479526 1042822483 /nfs/dbraw/zinc/82/24/83/1042822483.db2.gz RQIZUTGXBRMLAW-NSHDSACASA-N 1 0 320.314 4.133 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000516941869 1042861348 /nfs/dbraw/zinc/86/13/48/1042861348.db2.gz WCNDPZZNIRUMGH-QGZVFWFLSA-N 1 0 303.446 4.031 20 30 DIEDRO Cc1ccncc1CCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000517057176 1042864956 /nfs/dbraw/zinc/86/49/56/1042864956.db2.gz JVJWWICXWYCMCO-LEWJYISDSA-N 1 0 319.452 4.094 20 30 DIEDRO COCC[N@H+](CCCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC001307453880 1042869999 /nfs/dbraw/zinc/86/99/99/1042869999.db2.gz AAEZQBFQTKTZRX-UHFFFAOYSA-N 1 0 314.473 4.367 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]CCOc2ccccc2C#N)cc1 ZINC000439480821 1042919914 /nfs/dbraw/zinc/91/99/14/1042919914.db2.gz ZJPVGDBAYDJREX-CQSZACIVSA-N 1 0 312.438 4.010 20 30 DIEDRO COc1cccc(C2(C[NH2+]Cc3cccc(C#N)c3)CCCC2)c1 ZINC000518798203 1042921267 /nfs/dbraw/zinc/92/12/67/1042921267.db2.gz RNKHTJNWTMLYBF-UHFFFAOYSA-N 1 0 320.436 4.168 20 30 DIEDRO C=CCCC1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CC1 ZINC000519029552 1042929765 /nfs/dbraw/zinc/92/97/65/1042929765.db2.gz GWRBIESKMYSDFX-UHFFFAOYSA-N 1 0 323.440 4.330 20 30 DIEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000426553118 1042935722 /nfs/dbraw/zinc/93/57/22/1042935722.db2.gz NZDCOLXDARSUFB-LJQANCHMSA-N 1 0 308.425 4.201 20 30 DIEDRO N#Cc1cccc(OCC[NH2+]C2(c3ccc(F)cc3)CCCC2)c1 ZINC001167976879 1042973394 /nfs/dbraw/zinc/97/33/94/1042973394.db2.gz UXEDAVWOXGLHJH-UHFFFAOYSA-N 1 0 324.399 4.135 20 30 DIEDRO N#CCCC1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000519604825 1042984675 /nfs/dbraw/zinc/98/46/75/1042984675.db2.gz GMTQLMBZECYFGQ-UHFFFAOYSA-N 1 0 300.446 4.251 20 30 DIEDRO COc1cc(C)cc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1O ZINC000894854264 1042988315 /nfs/dbraw/zinc/98/83/15/1042988315.db2.gz FCWYQDWAZJCXKC-GOSISDBHSA-N 1 0 324.424 4.234 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000520191116 1043023197 /nfs/dbraw/zinc/02/31/97/1043023197.db2.gz XLDAJGGYWDKFBC-JTDSTZFVSA-N 1 0 300.446 4.283 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)ccc1C#N ZINC000441342782 1043039573 /nfs/dbraw/zinc/03/95/73/1043039573.db2.gz ULDPLGXURBACRD-APWZRJJASA-N 1 0 324.399 4.132 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000441341513 1043039725 /nfs/dbraw/zinc/03/97/25/1043039725.db2.gz ODDJYJIECZHJCK-FOIQADDNSA-N 1 0 324.399 4.159 20 30 DIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000441348414 1043040068 /nfs/dbraw/zinc/04/00/68/1043040068.db2.gz CEGVOVASNZTGBL-HXUWFJFHSA-N 1 0 323.415 4.100 20 30 DIEDRO C#CCCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000794803660 1043050884 /nfs/dbraw/zinc/05/08/84/1043050884.db2.gz RFMJUYJUEAZEOS-HNNXBMFYSA-N 1 0 310.210 4.042 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000173918904 1043055640 /nfs/dbraw/zinc/05/56/40/1043055640.db2.gz JPOGEWISMHTTBL-CABCVRRESA-N 1 0 324.424 4.296 20 30 DIEDRO CCC[C@H]([NH2+]CCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000339072113 1043081077 /nfs/dbraw/zinc/08/10/77/1043081077.db2.gz TUPBQEIUTIJXIG-HNNXBMFYSA-N 1 0 314.351 4.066 20 30 DIEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)s3)CCCC2)cc1 ZINC000176970770 1043102149 /nfs/dbraw/zinc/10/21/49/1043102149.db2.gz AFZIHZSNXXEOQY-UHFFFAOYSA-N 1 0 312.438 4.187 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000178177291 1043123637 /nfs/dbraw/zinc/12/36/37/1043123637.db2.gz MRASMZHKPSNVKF-ZIAGYGMSSA-N 1 0 309.369 4.187 20 30 DIEDRO CC(C)(C)OC(=O)c1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000865728856 1043128330 /nfs/dbraw/zinc/12/83/30/1043128330.db2.gz ALBUQNKOIMSIQV-UHFFFAOYSA-N 1 0 316.445 4.061 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1cccc(OC)c1OC ZINC000865758152 1043131787 /nfs/dbraw/zinc/13/17/87/1043131787.db2.gz YPEIPLZIXBJENR-SFHVURJKSA-N 1 0 324.424 4.125 20 30 DIEDRO CC(F)(F)C(C)(C)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000865789430 1043133714 /nfs/dbraw/zinc/13/37/14/1043133714.db2.gz BINJNPNVEVIRIS-UHFFFAOYSA-N 1 0 310.388 4.140 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000178643255 1043134829 /nfs/dbraw/zinc/13/48/29/1043134829.db2.gz LZIPPUJKBGKCLY-SJKOYZFVSA-N 1 0 312.800 4.386 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cc2cnccc2o1 ZINC000865855132 1043141192 /nfs/dbraw/zinc/14/11/92/1043141192.db2.gz VVGSPDLMLOITAE-AWEZNQCLSA-N 1 0 317.392 4.234 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc1 ZINC000865857659 1043141325 /nfs/dbraw/zinc/14/13/25/1043141325.db2.gz VFLNGVLDZULJOA-GOSISDBHSA-N 1 0 312.457 4.069 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cc2cnccc2o1 ZINC000865853445 1043142020 /nfs/dbraw/zinc/14/20/20/1043142020.db2.gz HTQFIZMVHTVCLV-AWEZNQCLSA-N 1 0 319.408 4.480 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000120800593 1043145481 /nfs/dbraw/zinc/14/54/81/1043145481.db2.gz AELFXOFUVNFIOC-CABCVRRESA-N 1 0 312.388 4.448 20 30 DIEDRO CC(C)C(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000189468991 1043153670 /nfs/dbraw/zinc/15/36/70/1043153670.db2.gz PHRAWJRMZJBHHO-UHFFFAOYSA-N 1 0 324.472 4.236 20 30 DIEDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184698617 1043188773 /nfs/dbraw/zinc/18/87/73/1043188773.db2.gz RXMYFLXPHRRMPT-DOTOQJQBSA-N 1 0 324.428 4.057 20 30 DIEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000866362684 1043190036 /nfs/dbraw/zinc/19/00/36/1043190036.db2.gz CVCBWHBGHTYGRQ-BXWFABGCSA-N 1 0 307.441 4.228 20 30 DIEDRO C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc(C#N)cc1F ZINC000866450321 1043202904 /nfs/dbraw/zinc/20/29/04/1043202904.db2.gz FLYKDXLEBGTEEN-JEYLPNPQSA-N 1 0 318.436 4.474 20 30 DIEDRO C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000866451529 1043203681 /nfs/dbraw/zinc/20/36/81/1043203681.db2.gz UWXMDEFIHTYQEV-NNGSBXSVSA-N 1 0 300.446 4.335 20 30 DIEDRO C[C@H]([NH2+]CCSCCC(F)(F)F)c1ccc(C#N)cc1F ZINC000866542939 1043219965 /nfs/dbraw/zinc/21/99/65/1043219965.db2.gz JEKUHACEJGQVGP-JTQLQIEISA-N 1 0 320.355 4.034 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000866539239 1043219099 /nfs/dbraw/zinc/21/90/99/1043219099.db2.gz ABWWPVIYTZCGOW-KRWDZBQOSA-N 1 0 309.369 4.016 20 30 DIEDRO CC[C@H]([NH2+]CCSCCC(F)(F)F)c1ccc(C#N)cc1 ZINC000866543850 1043222219 /nfs/dbraw/zinc/22/22/19/1043222219.db2.gz YJIAPCUBXXWMAK-AWEZNQCLSA-N 1 0 316.392 4.285 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)o1)c1ccc(OCC#N)cc1 ZINC000866574318 1043226982 /nfs/dbraw/zinc/22/69/82/1043226982.db2.gz RMRWFROAENGWSG-AWEZNQCLSA-N 1 0 312.413 4.330 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000866610108 1043234150 /nfs/dbraw/zinc/23/41/50/1043234150.db2.gz QUBOHHGTXFFJHA-OWCLPIDISA-N 1 0 308.347 4.496 20 30 DIEDRO C#CC(CC)(CC)[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168004899 1043238550 /nfs/dbraw/zinc/23/85/50/1043238550.db2.gz BLJRNRDCCPZMTI-ROUUACIJSA-N 1 0 312.501 4.210 20 30 DIEDRO CCSCC[C@H](C)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000487396758 1043245032 /nfs/dbraw/zinc/24/50/32/1043245032.db2.gz MYKQIFUANPSMDC-HNNXBMFYSA-N 1 0 304.503 4.451 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000268881702 1043339913 /nfs/dbraw/zinc/33/99/13/1043339913.db2.gz AZIZIZSACHCMBZ-KSSFIOAISA-N 1 0 324.424 4.377 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000269605889 1043369683 /nfs/dbraw/zinc/36/96/83/1043369683.db2.gz KELULAVFISZAPM-UHFFFAOYSA-N 1 0 306.409 4.124 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000442708420 1043407999 /nfs/dbraw/zinc/40/79/99/1043407999.db2.gz IYXUBYCLZYLPIO-VQIMIIECSA-N 1 0 306.409 4.047 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)C1 ZINC000442712993 1043408159 /nfs/dbraw/zinc/40/81/59/1043408159.db2.gz HJZHPEDYXIFYKQ-SFTDATJTSA-N 1 0 320.436 4.185 20 30 DIEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000925316514 1043410110 /nfs/dbraw/zinc/41/01/10/1043410110.db2.gz HEGIBAZJTCBKMF-CABCVRRESA-N 1 0 315.461 4.089 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCCCC2)C1 ZINC000442775374 1043417333 /nfs/dbraw/zinc/41/73/33/1043417333.db2.gz BSGNLIRYDZOFCT-CRAIPNDOSA-N 1 0 300.421 4.309 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](COc2ccccc2F)c2ccccc2)C1 ZINC000442783781 1043418962 /nfs/dbraw/zinc/41/89/62/1043418962.db2.gz NZDAXOZTOXUCRB-HHXXYDBFSA-N 1 0 324.399 4.228 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3cccc(F)c3)CCCCC2)C1 ZINC000442766719 1043421302 /nfs/dbraw/zinc/42/13/02/1043421302.db2.gz LLUQYPVYMAEZIQ-MAUKXSAKSA-N 1 0 300.421 4.309 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3cccc(F)c3)CCCCC2)C1 ZINC000442766717 1043422067 /nfs/dbraw/zinc/42/20/67/1043422067.db2.gz LLUQYPVYMAEZIQ-CRAIPNDOSA-N 1 0 300.421 4.309 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872044357 1043433368 /nfs/dbraw/zinc/43/33/68/1043433368.db2.gz AISAJADJWBEXIY-DUVNUKRYSA-N 1 0 324.262 4.081 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1ccccc1 ZINC000271549267 1043433590 /nfs/dbraw/zinc/43/35/90/1043433590.db2.gz RYACUJBMDSFINS-BEFAXECRSA-N 1 0 309.409 4.119 20 30 DIEDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)n(-c2ccccc2)n1 ZINC000925585049 1043433489 /nfs/dbraw/zinc/43/34/89/1043433489.db2.gz RSVJWFWPMJBCBF-WBVHZDCISA-N 1 0 324.472 4.030 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1ccccc1 ZINC000271549270 1043434482 /nfs/dbraw/zinc/43/44/82/1043434482.db2.gz RYACUJBMDSFINS-DNVCBOLYSA-N 1 0 309.409 4.119 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000442862588 1043436906 /nfs/dbraw/zinc/43/69/06/1043436906.db2.gz VQWYLCHWHXLDFY-GWCFXTLKSA-N 1 0 322.239 4.299 20 30 DIEDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442868954 1043438957 /nfs/dbraw/zinc/43/89/57/1043438957.db2.gz OTLNSYATDVIUNC-HSBZDZAISA-N 1 0 306.837 4.329 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCCc2nc(CC)sc21)c1ccccc1 ZINC000271573600 1043439710 /nfs/dbraw/zinc/43/97/10/1043439710.db2.gz WAHVBVAASFOMSV-HOTGVXAUSA-N 1 0 310.466 4.437 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000442872233 1043440496 /nfs/dbraw/zinc/44/04/96/1043440496.db2.gz IBZJGJKGYXUOGM-NRERDWFFSA-N 1 0 300.421 4.381 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1ccccc1 ZINC000925637905 1043442881 /nfs/dbraw/zinc/44/28/81/1043442881.db2.gz UQEXLWIEULFKBB-ROUUACIJSA-N 1 0 310.828 4.467 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1Cl ZINC000442859044 1043445699 /nfs/dbraw/zinc/44/56/99/1043445699.db2.gz PVXJFCUMMJOMKR-ZFWWWQNUSA-N 1 0 306.837 4.301 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1nc2c(s1)CCCC2 ZINC000442857242 1043445737 /nfs/dbraw/zinc/44/57/37/1043445737.db2.gz PMAXRIUHVPLQKD-HSBZDZAISA-N 1 0 303.475 4.002 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000442857749 1043446131 /nfs/dbraw/zinc/44/61/31/1043446131.db2.gz NRNONOZLCWHCKH-DOMZBBRYSA-N 1 0 310.363 4.265 20 30 DIEDRO CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)CCC#N ZINC000872070920 1043447347 /nfs/dbraw/zinc/44/73/47/1043447347.db2.gz JCBCCAFNYKYPDG-SFHVURJKSA-N 1 0 320.452 4.081 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000558165260 1043447991 /nfs/dbraw/zinc/44/79/91/1043447991.db2.gz DJCIVIIATRAVAO-LJQANCHMSA-N 1 0 312.388 4.289 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000558165255 1043448311 /nfs/dbraw/zinc/44/83/11/1043448311.db2.gz DJCIVIIATRAVAO-IBGZPJMESA-N 1 0 312.388 4.289 20 30 DIEDRO C[NH+](C)C1(C)CCC(N=Nc2cc(Cl)nc(Cl)c2)CC1 ZINC000872382162 1043495416 /nfs/dbraw/zinc/49/54/16/1043495416.db2.gz KHBBLXAAWPGVFS-UHFFFAOYSA-N 1 0 315.248 4.051 20 30 DIEDRO Cc1cccc([C@@H]([NH2+][C@H](C)CC(C)(C)C#N)c2ccccn2)c1 ZINC000925662679 1043450686 /nfs/dbraw/zinc/45/06/86/1043450686.db2.gz LMEUCJMNEJWYMI-VQIMIIECSA-N 1 0 307.441 4.397 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000442894730 1043451037 /nfs/dbraw/zinc/45/10/37/1043451037.db2.gz VKVAJFIXACMMHP-OAHLLOKOSA-N 1 0 320.392 4.424 20 30 DIEDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000872076318 1043451598 /nfs/dbraw/zinc/45/15/98/1043451598.db2.gz ZGWSJMTXGVFJGR-AGIUHOORSA-N 1 0 319.430 4.050 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000442900945 1043453361 /nfs/dbraw/zinc/45/33/61/1043453361.db2.gz SPWGVUQVRPDLLD-WMZOPIPTSA-N 1 0 306.409 4.020 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccccc1 ZINC000274447566 1043456763 /nfs/dbraw/zinc/45/67/63/1043456763.db2.gz RSZWSUFLQRAFMP-LJQANCHMSA-N 1 0 321.420 4.186 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000872102736 1043457931 /nfs/dbraw/zinc/45/79/31/1043457931.db2.gz SMJWXYDKZOXZJI-QGZVFWFLSA-N 1 0 300.446 4.066 20 30 DIEDRO N#CC1(CC[N@@H+]2CCC[C@@H](OC3CCC3)CC2)CCCCC1 ZINC000872282989 1043490680 /nfs/dbraw/zinc/49/06/80/1043490680.db2.gz ZUMSUFYTFAMAEO-GOSISDBHSA-N 1 0 304.478 4.274 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925925954 1043495348 /nfs/dbraw/zinc/49/53/48/1043495348.db2.gz KMTZAZCMVXYOAL-OAHLLOKOSA-N 1 0 320.436 4.126 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001204983402 1043528538 /nfs/dbraw/zinc/52/85/38/1043528538.db2.gz ACXOXIGHAHSSGE-ZIAGYGMSSA-N 1 0 310.844 4.392 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000522069973 1043529328 /nfs/dbraw/zinc/52/93/28/1043529328.db2.gz XRYRSMFOBXWXGC-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#CCCC[NH2+][C@H](Cc1ccc(F)cc1Cl)c1ccco1 ZINC000926133861 1043534631 /nfs/dbraw/zinc/53/46/31/1043534631.db2.gz UJBONIJRVMKKGC-OAHLLOKOSA-N 1 0 306.768 4.249 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000777587544 1043536125 /nfs/dbraw/zinc/53/61/25/1043536125.db2.gz UOVKAHOTSSAZLK-KKSFZXQISA-N 1 0 320.436 4.065 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1nc(C#N)cs1 ZINC000558566117 1043541950 /nfs/dbraw/zinc/54/19/50/1043541950.db2.gz CHHRNUSUJFKPND-QGZVFWFLSA-N 1 0 313.470 4.166 20 30 DIEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000522131524 1043546123 /nfs/dbraw/zinc/54/61/23/1043546123.db2.gz IPVKQWDZOUTNPT-HXUWFJFHSA-N 1 0 316.489 4.049 20 30 DIEDRO Cc1ccc([C@@H]([NH2+][C@H](C)CC(C)(C)C#N)c2ccccn2)cc1 ZINC000926334844 1043565757 /nfs/dbraw/zinc/56/57/57/1043565757.db2.gz ZUHOFXDSPITGRU-VQIMIIECSA-N 1 0 307.441 4.397 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000926343611 1043566301 /nfs/dbraw/zinc/56/63/01/1043566301.db2.gz PYIMXGOPQINGAF-JBACZVJFSA-N 1 0 322.452 4.050 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000926343613 1043567851 /nfs/dbraw/zinc/56/78/51/1043567851.db2.gz PYIMXGOPQINGAF-TYPHKJRUSA-N 1 0 322.452 4.050 20 30 DIEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@@H](C)CCC=C(C)C ZINC001275067109 1043569955 /nfs/dbraw/zinc/56/99/55/1043569955.db2.gz OGAYUIQMEHYFSJ-ICSRJNTNSA-N 1 0 318.505 4.012 20 30 DIEDRO CCCCCCCCCCC[N@@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001275093234 1043572085 /nfs/dbraw/zinc/57/20/85/1043572085.db2.gz JWSBDQSTMYPMSN-IBGZPJMESA-N 1 0 308.510 4.071 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cnn(C3CCC3)c2)cc1 ZINC000926401375 1043573994 /nfs/dbraw/zinc/57/39/94/1043573994.db2.gz MZQRDNDWJDBULY-OAHLLOKOSA-N 1 0 311.429 4.024 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CCN(CCCC)C2=O)CC1 ZINC001275111095 1043574770 /nfs/dbraw/zinc/57/47/70/1043574770.db2.gz HXYHWUGDTCFADT-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000926402718 1043574994 /nfs/dbraw/zinc/57/49/94/1043574994.db2.gz XPSHIYOKOYCCFS-INIZCTEOSA-N 1 0 323.440 4.079 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@]2(CCN(CCCC)C2=O)C1 ZINC001275114185 1043576456 /nfs/dbraw/zinc/57/64/56/1043576456.db2.gz KJXCZPFZIRTNBI-LJQANCHMSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000926592452 1043604218 /nfs/dbraw/zinc/60/42/18/1043604218.db2.gz VEHJPPLSLHJHDR-SJLPKXTDSA-N 1 0 309.457 4.057 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOc3ccccc31)CC2 ZINC000353388984 1043605023 /nfs/dbraw/zinc/60/50/23/1043605023.db2.gz QUXHDUISPILJIL-MOPGFXCFSA-N 1 0 304.393 4.049 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(OC)n1 ZINC000926599012 1043605355 /nfs/dbraw/zinc/60/53/55/1043605355.db2.gz DGMWDXGSEYYOOI-QZTJIDSGSA-N 1 0 321.424 4.080 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(O)cc(F)c1 ZINC000926603013 1043606245 /nfs/dbraw/zinc/60/62/45/1043606245.db2.gz QRSZPMQQFASCAO-HXPMCKFVSA-N 1 0 310.372 4.131 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000926764956 1043628212 /nfs/dbraw/zinc/62/82/12/1043628212.db2.gz JCKFBMUSDMIMCC-LBPRGKRZSA-N 1 0 305.372 4.454 20 30 DIEDRO CC1CCC([N@H+](C[C@@H]2CCCO2)CC(C)(C)CCC#N)CC1 ZINC000353649582 1043630169 /nfs/dbraw/zinc/63/01/69/1043630169.db2.gz SGOLMUKOAWHFOD-ABHNRTSZSA-N 1 0 306.494 4.376 20 30 DIEDRO C[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C(F)F ZINC000926864541 1043643866 /nfs/dbraw/zinc/64/38/66/1043643866.db2.gz IXXIBBPKJPXJDU-LURJTMIESA-N 1 0 301.221 4.283 20 30 DIEDRO C=CCCC[C@@H]([NH2+][C@H](C)c1cc(OC)no1)c1ccccc1 ZINC000926856744 1043644469 /nfs/dbraw/zinc/64/44/69/1043644469.db2.gz YYPVKPAROQHDHL-GDBMZVCRSA-N 1 0 300.402 4.431 20 30 DIEDRO C=CCCCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001141777273 1043651242 /nfs/dbraw/zinc/65/12/42/1043651242.db2.gz BGWTTZJELYFOAU-LJQANCHMSA-N 1 0 320.521 4.426 20 30 DIEDRO Cn1c2ccccc2nc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353916959 1043656943 /nfs/dbraw/zinc/65/69/43/1043656943.db2.gz SKLBXFAFUFFJAW-KRWDZBQOSA-N 1 0 318.424 4.098 20 30 DIEDRO CC[C@@H]1C[C@H](C[NH2+][C@H](CCCC#N)c2ccccc2)CCO1 ZINC000353911362 1043657266 /nfs/dbraw/zinc/65/72/66/1043657266.db2.gz BMFZBCVXMOBMIH-BHIYHBOVSA-N 1 0 300.446 4.216 20 30 DIEDRO COc1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)ccc1C#N ZINC000353912802 1043657356 /nfs/dbraw/zinc/65/73/56/1043657356.db2.gz GNFJKBSGTFKRSL-LJQANCHMSA-N 1 0 319.408 4.092 20 30 DIEDRO COc1cccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1OC ZINC000353913239 1043657608 /nfs/dbraw/zinc/65/76/08/1043657608.db2.gz HYJAUPAZUUOSRB-SFHVURJKSA-N 1 0 324.424 4.229 20 30 DIEDRO CC(C)(C)c1ncc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353918436 1043660463 /nfs/dbraw/zinc/66/04/63/1043660463.db2.gz YEWVTAFZIMEKAC-SFHVURJKSA-N 1 0 322.456 4.299 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1C#N ZINC000926963791 1043664351 /nfs/dbraw/zinc/66/43/51/1043664351.db2.gz GGTUSVRGCJIJAO-QGZVFWFLSA-N 1 0 312.413 4.333 20 30 DIEDRO Cc1nc2c(cccc2CC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000926974942 1043666151 /nfs/dbraw/zinc/66/61/51/1043666151.db2.gz OZDVACDBODLLBJ-GFCCVEGCSA-N 1 0 323.371 4.040 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353996461 1043672364 /nfs/dbraw/zinc/67/23/64/1043672364.db2.gz DMRSQMCFKRIHGY-HXUWFJFHSA-N 1 0 320.436 4.186 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927041486 1043673581 /nfs/dbraw/zinc/67/35/81/1043673581.db2.gz ZDONHYRAOAKPAC-AEFFLSMTSA-N 1 0 312.482 4.344 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](c2nc(CC)no2)C1)c1ccco1 ZINC000927046777 1043673839 /nfs/dbraw/zinc/67/38/39/1043673839.db2.gz CAZUARVYQYBDKA-ZNMIVQPWSA-N 1 0 315.417 4.158 20 30 DIEDRO CCc1nc(C(C)C)ccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000559038546 1043673881 /nfs/dbraw/zinc/67/38/81/1043673881.db2.gz VZCNFZVWMJYTFM-UHFFFAOYSA-N 1 0 307.441 4.271 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCc2cccnc21 ZINC000927060690 1043676228 /nfs/dbraw/zinc/67/62/28/1043676228.db2.gz DQECMKUYMQXJNQ-VQTJNVASSA-N 1 0 317.436 4.388 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000927072559 1043683238 /nfs/dbraw/zinc/68/32/38/1043683238.db2.gz XHYKVMHXJWVITQ-WOJBJXKFSA-N 1 0 322.456 4.046 20 30 DIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000876545344 1043693056 /nfs/dbraw/zinc/69/30/56/1043693056.db2.gz FTHJVVGMERKIDC-HNNXBMFYSA-N 1 0 308.853 4.342 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(CCN(CC(=C)C)C2=O)CC1 ZINC001275329003 1043701140 /nfs/dbraw/zinc/70/11/40/1043701140.db2.gz JEBFIHAUGWRETC-UHFFFAOYSA-N 1 0 318.505 4.014 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1 ZINC000559130449 1043701686 /nfs/dbraw/zinc/70/16/86/1043701686.db2.gz RUWHMSKHALNUNF-QLFBSQMISA-N 1 0 311.454 4.168 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Br)cc1C#N)C(C)(C)C ZINC001141816737 1043702460 /nfs/dbraw/zinc/70/24/60/1043702460.db2.gz JOELSHRZZURGCZ-UHFFFAOYSA-N 1 0 307.235 4.107 20 30 DIEDRO C[C@@H]1C[C@@H](NCC#CC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168030745 1043703343 /nfs/dbraw/zinc/70/33/43/1043703343.db2.gz XBVWKUQZWNQIIS-OPVJXMOQSA-N 1 0 312.501 4.067 20 30 DIEDRO C=CC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)CC1CCCCC1 ZINC000876732326 1043706223 /nfs/dbraw/zinc/70/62/23/1043706223.db2.gz SWGQYGHKCDCMJV-UHFFFAOYSA-N 1 0 300.402 4.102 20 30 DIEDRO C=CCCCCCCCC[N@@H+]1CC[C@]2(CCN(CC=C)C2=O)C1 ZINC001275337164 1043707075 /nfs/dbraw/zinc/70/70/75/1043707075.db2.gz OZMJYRQJICXPAM-FQEVSTJZSA-N 1 0 318.505 4.014 20 30 DIEDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2C#N)CC1 ZINC001141818800 1043707839 /nfs/dbraw/zinc/70/78/39/1043707839.db2.gz WEUXCJWFVIZNGM-YGUOUDRMSA-N 1 0 321.262 4.331 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ncc(C)s1 ZINC001252987416 1043709342 /nfs/dbraw/zinc/70/93/42/1043709342.db2.gz SHIYEWIFOFIYLU-INIZCTEOSA-N 1 0 312.523 4.433 20 30 DIEDRO COc1cc2c(cc1Cl)C[N@H+](CC(C)(C)CCC#N)CC2 ZINC000354630576 1043712619 /nfs/dbraw/zinc/71/26/19/1043712619.db2.gz VJNMAOAMJPLSJM-UHFFFAOYSA-N 1 0 306.837 4.037 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000126264868 1043728492 /nfs/dbraw/zinc/72/84/92/1043728492.db2.gz CRWJGAXDIDUIPP-HUUCEWRRSA-N 1 0 323.864 4.284 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc2ccccc2c1 ZINC000876984941 1043730300 /nfs/dbraw/zinc/73/03/00/1043730300.db2.gz QBKGUGGCFAAHHX-MRXNPFEDSA-N 1 0 308.425 4.028 20 30 DIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2ccccc2)C2CCC2)c1 ZINC000877011589 1043733582 /nfs/dbraw/zinc/73/35/82/1043733582.db2.gz HDQKMDZXDKFEIB-QGZVFWFLSA-N 1 0 311.816 4.238 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)CCOCc1ccccc1)c1ccncc1 ZINC000877046731 1043737197 /nfs/dbraw/zinc/73/71/97/1043737197.db2.gz RMMRBAYFBPICFC-XLIONFOSSA-N 1 0 310.441 4.284 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CC1(F)F ZINC000877050403 1043737519 /nfs/dbraw/zinc/73/75/19/1043737519.db2.gz ZPGCWJKFEDDVKD-NHYWBVRUSA-N 1 0 318.392 4.420 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000877048166 1043738042 /nfs/dbraw/zinc/73/80/42/1043738042.db2.gz JBGDMGPPXHVKAE-AWEZNQCLSA-N 1 0 309.438 4.316 20 30 DIEDRO C=CCC[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000355038452 1043739140 /nfs/dbraw/zinc/73/91/40/1043739140.db2.gz FIJRSJMPOMSXSP-RTBURBONSA-N 1 0 314.473 4.075 20 30 DIEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000877117046 1043745269 /nfs/dbraw/zinc/74/52/69/1043745269.db2.gz ZUKCSIVAUBLZGK-ZWWNWMABSA-N 1 0 322.389 4.344 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCCC3(CCC3)C2)cc1OC ZINC000355206337 1043749739 /nfs/dbraw/zinc/74/97/39/1043749739.db2.gz VVGBHJAOIOIUOP-UHFFFAOYSA-N 1 0 301.430 4.026 20 30 DIEDRO C[C@@H](C[NH2+]CCSCc1ccccc1C#N)c1ccccc1 ZINC000237339815 1043753929 /nfs/dbraw/zinc/75/39/29/1043753929.db2.gz IYHXAAGGKBAOIM-INIZCTEOSA-N 1 0 310.466 4.185 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc(Br)no1 ZINC000718880914 1043757535 /nfs/dbraw/zinc/75/75/35/1043757535.db2.gz FKYFCHUTQSYSTA-NSHDSACASA-N 1 0 303.244 4.276 20 30 DIEDRO Cc1ccc(C[NH+](C)C)cc1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000777702772 1043767129 /nfs/dbraw/zinc/76/71/29/1043767129.db2.gz SYJHHIYXTLNMRE-CQSZACIVSA-N 1 0 311.404 4.241 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000877516075 1043771273 /nfs/dbraw/zinc/77/12/73/1043771273.db2.gz BLQYGGUMBNXNMO-WIYYLYMNSA-N 1 0 322.452 4.162 20 30 DIEDRO N#CCOc1ccc(C[N@H+](Cc2ccccc2)C2CCC2)cc1 ZINC001137122704 1043777652 /nfs/dbraw/zinc/77/76/52/1043777652.db2.gz OIUWANFZOHGMIM-UHFFFAOYSA-N 1 0 306.409 4.144 20 30 DIEDRO N#CC1(C[NH2+]Cc2cc3nc(Cl)ccc3s2)CCCC1 ZINC000877609294 1043779747 /nfs/dbraw/zinc/77/97/47/1043779747.db2.gz JSQFOVDYJFIOHJ-UHFFFAOYSA-N 1 0 305.834 4.123 20 30 DIEDRO CC(C)[C@H]([NH2+]C1CCC(C#N)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000877640270 1043783818 /nfs/dbraw/zinc/78/38/18/1043783818.db2.gz WIRRUBYSSGPVPG-GGXGYQBMSA-N 1 0 320.864 4.070 20 30 DIEDRO C=CCC1([NH2+][C@H](C)CCc2cncc3ccccc32)CCOCC1 ZINC000877629368 1043784212 /nfs/dbraw/zinc/78/42/12/1043784212.db2.gz UGAKNCHTMMJCDQ-QGZVFWFLSA-N 1 0 324.468 4.271 20 30 DIEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000355682882 1043785805 /nfs/dbraw/zinc/78/58/05/1043785805.db2.gz MSEHKTXZWVYWQW-SFHVURJKSA-N 1 0 300.352 4.120 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000877661182 1043786399 /nfs/dbraw/zinc/78/63/99/1043786399.db2.gz XHAJBPNRZIBTBR-DYVFJYSZSA-N 1 0 318.848 4.016 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000877668729 1043788435 /nfs/dbraw/zinc/78/84/35/1043788435.db2.gz MOROAVJDJZMRAA-LLVKDONJSA-N 1 0 305.809 4.246 20 30 DIEDRO Cc1ccc(C(=O)C2CC[NH+](CC3CCC(C#N)CC3)CC2)cc1 ZINC000929317934 1043806647 /nfs/dbraw/zinc/80/66/47/1043806647.db2.gz CKHNFTROYRUKKC-UHFFFAOYSA-N 1 0 324.468 4.220 20 30 DIEDRO CC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000929334670 1043811300 /nfs/dbraw/zinc/81/13/00/1043811300.db2.gz WRIJLOVOTVWCGZ-SDNTUTLCSA-N 1 0 304.384 4.232 20 30 DIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cncc(C#N)c1 ZINC000929384256 1043813119 /nfs/dbraw/zinc/81/31/19/1043813119.db2.gz WCVJQORJDCWCJP-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cncc(C#N)c1 ZINC000929384322 1043814735 /nfs/dbraw/zinc/81/47/35/1043814735.db2.gz XJCAIMNUHLPKTH-NSHDSACASA-N 1 0 320.223 4.453 20 30 DIEDRO C=C1CC[NH+](Cc2cncc(-c3cc(F)ccc3OC)c2)CC1 ZINC000929602735 1043826931 /nfs/dbraw/zinc/82/69/31/1043826931.db2.gz BIVZOKAWFVWOQE-UHFFFAOYSA-N 1 0 312.388 4.048 20 30 DIEDRO C#CCCCCC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000877990079 1043835386 /nfs/dbraw/zinc/83/53/86/1043835386.db2.gz NGILNWPNWWSPSF-VXGBXAGGSA-N 1 0 315.301 4.243 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000929757574 1043837865 /nfs/dbraw/zinc/83/78/65/1043837865.db2.gz TVMNJVBKGILUCD-WXDAQCLHSA-N 1 0 307.441 4.088 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000929757572 1043838715 /nfs/dbraw/zinc/83/87/15/1043838715.db2.gz TVMNJVBKGILUCD-OTGCGEFBSA-N 1 0 307.441 4.088 20 30 DIEDRO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356420853 1043839260 /nfs/dbraw/zinc/83/92/60/1043839260.db2.gz TWPSQWGTAIZAEY-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000929877049 1043849332 /nfs/dbraw/zinc/84/93/32/1043849332.db2.gz YANAKBSRJFBVFO-JCYILVPMSA-N 1 0 323.440 4.337 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000878134374 1043850572 /nfs/dbraw/zinc/85/05/72/1043850572.db2.gz PCBYTBUOWDGSMB-KRZXBLKESA-N 1 0 324.468 4.080 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CC1CCC(C#N)CC1)CCC2 ZINC000929976226 1043863229 /nfs/dbraw/zinc/86/32/29/1043863229.db2.gz NEMBNOJIUVKKKH-XUJLQICISA-N 1 0 303.475 4.091 20 30 DIEDRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCCCC1(C#N)CCC1)CC2 ZINC000930100000 1043877011 /nfs/dbraw/zinc/87/70/11/1043877011.db2.gz JIRNERFZWVWRLR-UHFFFAOYSA-N 1 0 324.468 4.154 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C[C@@H]3CC[C@H](c4ccccc4)O3)CC2)c1 ZINC000878364178 1043879306 /nfs/dbraw/zinc/87/93/06/1043879306.db2.gz DZMQIVXTYOXWHJ-VQTJNVASSA-N 1 0 318.420 4.057 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000896299586 1043881221 /nfs/dbraw/zinc/88/12/21/1043881221.db2.gz FVODPIAGYGEOGO-SNVBAGLBSA-N 1 0 315.642 4.132 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000930208506 1043893617 /nfs/dbraw/zinc/89/36/17/1043893617.db2.gz QZVCAWJNJWKBRB-AWEZNQCLSA-N 1 0 301.390 4.110 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474704347 1043894479 /nfs/dbraw/zinc/89/44/79/1043894479.db2.gz ACXBBAZTGFFCAC-HXUWFJFHSA-N 1 0 314.517 4.446 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)c1cccc(-n2cccn2)c1 ZINC000930220102 1043896274 /nfs/dbraw/zinc/89/62/74/1043896274.db2.gz AYTIETVHAUIJKO-KRWDZBQOSA-N 1 0 322.456 4.387 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc(-n2cccn2)cc1 ZINC000930229014 1043901331 /nfs/dbraw/zinc/90/13/31/1043901331.db2.gz MWNNCZVEFNLVNN-KRWDZBQOSA-N 1 0 322.456 4.387 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000930373628 1043916305 /nfs/dbraw/zinc/91/63/05/1043916305.db2.gz MPPWPYICVUWGGK-UHFFFAOYSA-N 1 0 323.415 4.031 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@@H]1C1CCC1)c1ccccc1 ZINC000878771569 1043916943 /nfs/dbraw/zinc/91/69/43/1043916943.db2.gz OYPJGCSWIWRNEV-RTWAWAEBSA-N 1 0 324.468 4.082 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000878914963 1043928544 /nfs/dbraw/zinc/92/85/44/1043928544.db2.gz MWCFVGLDLPBXEQ-HNNXBMFYSA-N 1 0 312.413 4.138 20 30 DIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CC3CCC(C#N)CC3)nc2c1 ZINC000930487841 1043933094 /nfs/dbraw/zinc/93/30/94/1043933094.db2.gz XAYIHISFHORIJP-RJYAGPCLSA-N 1 0 322.456 4.338 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000561349737 1043934019 /nfs/dbraw/zinc/93/40/19/1043934019.db2.gz XJAAUCCTMCZGIE-HMXCVIKNSA-N 1 0 302.421 4.098 20 30 DIEDRO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)sc1C ZINC000357716749 1043979302 /nfs/dbraw/zinc/97/93/02/1043979302.db2.gz OGTFAIWKQBTPCK-UHFFFAOYSA-N 1 0 313.470 4.290 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c(Cl)c1 ZINC000879671641 1043979961 /nfs/dbraw/zinc/97/99/61/1043979961.db2.gz IETWRJYITSYVGH-TZMCWYRMSA-N 1 0 314.738 4.198 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC([C@H]3CCCCO3)CC2)CCC1 ZINC000931026527 1043982379 /nfs/dbraw/zinc/98/23/79/1043982379.db2.gz XFPAKCKVESQVNZ-GOSISDBHSA-N 1 0 304.478 4.132 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C/C=C/c2ccc(F)cc2)c1 ZINC000128052320 1043997160 /nfs/dbraw/zinc/99/71/60/1043997160.db2.gz VYKNRCFYPPKJTA-FHHGHWCOSA-N 1 0 324.399 4.310 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)c(OC)c1 ZINC000931180976 1044000758 /nfs/dbraw/zinc/00/07/58/1044000758.db2.gz MXKXSSOEZZCEBF-HNNXBMFYSA-N 1 0 324.424 4.043 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)C[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000880075761 1044008530 /nfs/dbraw/zinc/00/85/30/1044008530.db2.gz GWCJENJJNUVJKI-OXQOHEQNSA-N 1 0 314.473 4.041 20 30 DIEDRO C=CCSCC[NH2+][C@H](CC)c1ccc(OC(F)F)cc1 ZINC000358037725 1044008899 /nfs/dbraw/zinc/00/88/99/1044008899.db2.gz MZZGRUJNFRZTIH-CQSZACIVSA-N 1 0 301.402 4.248 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000358047280 1044010856 /nfs/dbraw/zinc/01/08/56/1044010856.db2.gz MYJNLQASDLNVSE-SMDDNHRTSA-N 1 0 310.235 4.217 20 30 DIEDRO CCC1(CC)CCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000880094156 1044011322 /nfs/dbraw/zinc/01/13/22/1044011322.db2.gz VITRXXOSRCJZCV-FQEVSTJZSA-N 1 0 312.457 4.082 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371436 1044017861 /nfs/dbraw/zinc/01/78/61/1044017861.db2.gz BHYRTLHTRLCQPT-MRXNPFEDSA-N 1 0 324.472 4.462 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccccc1 ZINC000358179889 1044030728 /nfs/dbraw/zinc/03/07/28/1044030728.db2.gz RKEICMAJHWSKCU-DENIHFKCSA-N 1 0 313.466 4.091 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000880371935 1044033431 /nfs/dbraw/zinc/03/34/31/1044033431.db2.gz PZPMXVAQYBAYPQ-IBGZPJMESA-N 1 0 312.457 4.098 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000931501891 1044035471 /nfs/dbraw/zinc/03/54/71/1044035471.db2.gz GXTGBNNHMZNULT-CYBMUJFWSA-N 1 0 313.401 4.048 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1nccn1CC(F)F)c1ccccc1 ZINC000880389190 1044037449 /nfs/dbraw/zinc/03/74/49/1044037449.db2.gz DTVKUEQXZHMKAY-INIZCTEOSA-N 1 0 319.399 4.335 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000880388188 1044038780 /nfs/dbraw/zinc/03/87/80/1044038780.db2.gz JHDOVGKDONGWDJ-HXUWFJFHSA-N 1 0 322.452 4.233 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(C(F)(F)F)nc1 ZINC000931618384 1044052903 /nfs/dbraw/zinc/05/29/03/1044052903.db2.gz XIANABCQDLSTQN-PNESKVBLSA-N 1 0 311.351 4.081 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000358338935 1044056061 /nfs/dbraw/zinc/05/60/61/1044056061.db2.gz HLNILESQLFJVMQ-RTBURBONSA-N 1 0 310.828 4.442 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCC[C@@H](C)O)C(C)(C)C)cc1 ZINC000475028604 1044056513 /nfs/dbraw/zinc/05/65/13/1044056513.db2.gz CBLHDFCJROQNCI-MRXNPFEDSA-N 1 0 305.462 4.013 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cncc(C(=O)OC)c1)c1ccccc1 ZINC000931694405 1044059931 /nfs/dbraw/zinc/05/99/31/1044059931.db2.gz KIWKRCKYDFZYQR-LJQANCHMSA-N 1 0 324.424 4.055 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CCC1 ZINC000931707997 1044062320 /nfs/dbraw/zinc/06/23/20/1044062320.db2.gz UHNCMOLTGAJULU-IBGZPJMESA-N 1 0 318.505 4.379 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000280896339 1044081967 /nfs/dbraw/zinc/08/19/67/1044081967.db2.gz QNYDDJOKZPIEGE-NBQZKYEYSA-N 1 0 311.425 4.177 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000562199586 1044083049 /nfs/dbraw/zinc/08/30/49/1044083049.db2.gz RKIUYYIYTXXYFJ-UHFFFAOYSA-N 1 0 316.326 4.356 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932203944 1044108624 /nfs/dbraw/zinc/10/86/24/1044108624.db2.gz NFGCAFFWROYJOY-HOCLYGCPSA-N 1 0 311.454 4.030 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1OC ZINC000324326793 1044108916 /nfs/dbraw/zinc/10/89/16/1044108916.db2.gz VTUOQZASPIJFON-KXBFYZLASA-N 1 0 324.424 4.399 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932199489 1044109313 /nfs/dbraw/zinc/10/93/13/1044109313.db2.gz ROUUPQOOFAKWAM-ZBFHGGJFSA-N 1 0 311.454 4.030 20 30 DIEDRO C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCCC#N)C1 ZINC000358979051 1044117089 /nfs/dbraw/zinc/11/70/89/1044117089.db2.gz GAOUPDFMJVKXIW-BLLLJJGKSA-N 1 0 321.262 4.356 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000281317004 1044120342 /nfs/dbraw/zinc/12/03/42/1044120342.db2.gz KZVFPHBOBIPIEQ-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(F)ccc1OC ZINC000932470578 1044131491 /nfs/dbraw/zinc/13/14/91/1044131491.db2.gz AGAKLKTULQFURF-KVULBXGLSA-N 1 0 304.409 4.205 20 30 DIEDRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCCC#N ZINC000346823637 1044146066 /nfs/dbraw/zinc/14/60/66/1044146066.db2.gz HLHHQGIBGTWGSV-WDEREUQCSA-N 1 0 301.217 4.043 20 30 DIEDRO CSCC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000932587838 1044148675 /nfs/dbraw/zinc/14/86/75/1044148675.db2.gz UNZYBZNRKHPKPD-UHFFFAOYSA-N 1 0 302.487 4.063 20 30 DIEDRO CC(C)(C)OCCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000475049491 1044153306 /nfs/dbraw/zinc/15/33/06/1044153306.db2.gz YUJWUKSUTGTEJV-UHFFFAOYSA-N 1 0 300.446 4.118 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000562764638 1044155609 /nfs/dbraw/zinc/15/56/09/1044155609.db2.gz SZYVNHJMJAPHBT-SQGPQFPESA-N 1 0 304.437 4.489 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC(C2CC2)C2CC2)c(C(F)(F)F)c1 ZINC000562905685 1044177262 /nfs/dbraw/zinc/17/72/62/1044177262.db2.gz UKIVKUFFIDNOLY-UHFFFAOYSA-N 1 0 308.347 4.103 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346984248 1044179648 /nfs/dbraw/zinc/17/96/48/1044179648.db2.gz CBIJBACWJWONPY-IBGZPJMESA-N 1 0 305.425 4.220 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@]1(C)CCOc2ccccc21 ZINC000933370752 1044195601 /nfs/dbraw/zinc/19/56/01/1044195601.db2.gz OYWBZMLWASLTOM-OAQYLSRUSA-N 1 0 320.436 4.275 20 30 DIEDRO Cn1cc(C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)cc1C#N ZINC000359746295 1044197528 /nfs/dbraw/zinc/19/75/28/1044197528.db2.gz LXPQGJCPFKVDGN-SFHVURJKSA-N 1 0 313.420 4.303 20 30 DIEDRO COc1c(C)cc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1C ZINC000130435833 1044203372 /nfs/dbraw/zinc/20/33/72/1044203372.db2.gz OFGXMYJQDPZGJC-IBGZPJMESA-N 1 0 308.425 4.447 20 30 DIEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000933770175 1044210241 /nfs/dbraw/zinc/21/02/41/1044210241.db2.gz LBNRVUPNVCRKLK-HZPDHXFCSA-N 1 0 318.392 4.100 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000347243950 1044213802 /nfs/dbraw/zinc/21/38/02/1044213802.db2.gz CXUJLWDMVLHNHW-PBHICJAKSA-N 1 0 310.397 4.133 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(C(C)C)cc32)cc1C#N ZINC000778209329 1044220924 /nfs/dbraw/zinc/22/09/24/1044220924.db2.gz NDRCTALVSJYVAT-HXUWFJFHSA-N 1 0 320.436 4.467 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccccc1 ZINC000883170337 1044227784 /nfs/dbraw/zinc/22/77/84/1044227784.db2.gz RFEJBFWROLWPKH-IBGZPJMESA-N 1 0 323.440 4.364 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000883183642 1044229977 /nfs/dbraw/zinc/22/99/77/1044229977.db2.gz GLFRIORBTBHZPV-SOAGJPPSSA-N 1 0 314.473 4.121 20 30 DIEDRO C=CCCC[C@H]([NH2+]C1CCN(C(=O)CC)CC1)c1ccccc1 ZINC000883193919 1044231856 /nfs/dbraw/zinc/23/18/56/1044231856.db2.gz IOUQGURUZVHNOO-IBGZPJMESA-N 1 0 314.473 4.075 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cc(=O)oc2cc(CC)c(Cl)cc12 ZINC000778230550 1044232648 /nfs/dbraw/zinc/23/26/48/1044232648.db2.gz BYTNIDNIMBCZAT-UHFFFAOYSA-N 1 0 305.805 4.017 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccccc1 ZINC000883219641 1044237470 /nfs/dbraw/zinc/23/74/70/1044237470.db2.gz WUFRAKUWOLCHBH-LJQANCHMSA-N 1 0 323.440 4.227 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)nc1 ZINC000934339994 1044241118 /nfs/dbraw/zinc/24/11/18/1044241118.db2.gz KPXRKJMVENZLHX-SFHVURJKSA-N 1 0 313.445 4.091 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000934466774 1044252190 /nfs/dbraw/zinc/25/21/90/1044252190.db2.gz MYXGRFZOLVDNDG-GOSISDBHSA-N 1 0 320.436 4.333 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000293273499 1044266143 /nfs/dbraw/zinc/26/61/43/1044266143.db2.gz CKFAPEAZFAKZLJ-LIRRHRJNSA-N 1 0 322.408 4.147 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC000934695326 1044271627 /nfs/dbraw/zinc/27/16/27/1044271627.db2.gz AQIZVOIOFUBHQY-IBGZPJMESA-N 1 0 305.425 4.124 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnc([C@H](C)O)s1)c1ccccc1 ZINC000883324753 1044273098 /nfs/dbraw/zinc/27/30/98/1044273098.db2.gz CDUFRKSJMZVSQR-YOEHRIQHSA-N 1 0 316.470 4.384 20 30 DIEDRO Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000563572194 1044284672 /nfs/dbraw/zinc/28/46/72/1044284672.db2.gz BDTWZTLTUZCMPP-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](c1cccnc1)C1CC1 ZINC000360655209 1044295454 /nfs/dbraw/zinc/29/54/54/1044295454.db2.gz CDRXRCMKLIAJKU-RTWAWAEBSA-N 1 0 317.436 4.462 20 30 DIEDRO CSc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000360659344 1044296216 /nfs/dbraw/zinc/29/62/16/1044296216.db2.gz YIHWOZVSWZBJLZ-SFHVURJKSA-N 1 0 323.465 4.232 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c(F)c1 ZINC000360659055 1044297158 /nfs/dbraw/zinc/29/71/58/1044297158.db2.gz WMMKVSSLWFHHPP-FQEVSTJZSA-N 1 0 324.399 4.263 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000883390676 1044303270 /nfs/dbraw/zinc/30/32/70/1044303270.db2.gz RGXWEEMBTGDSOZ-SMDDNHRTSA-N 1 0 322.499 4.158 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cc(F)ccc1F ZINC000360840014 1044316566 /nfs/dbraw/zinc/31/65/66/1044316566.db2.gz KHLBBZRVFNKGLL-LJQANCHMSA-N 1 0 312.363 4.394 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000035256326 1044319427 /nfs/dbraw/zinc/31/94/27/1044319427.db2.gz FEPCDPMIZYNGGV-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C3CC3)c(C#N)c2)cc1 ZINC000883585050 1044319549 /nfs/dbraw/zinc/31/95/49/1044319549.db2.gz DIYFCFNHCKSPLM-GFCCVEGCSA-N 1 0 320.396 4.099 20 30 DIEDRO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C3CC3)c(C#N)c2)cc1 ZINC000883585051 1044320581 /nfs/dbraw/zinc/32/05/81/1044320581.db2.gz DIYFCFNHCKSPLM-LBPRGKRZSA-N 1 0 320.396 4.099 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CC[C@@H](F)C3)c2)c1 ZINC000564115731 1044341214 /nfs/dbraw/zinc/34/12/14/1044341214.db2.gz OIFVEEGPAFNSEJ-RTBURBONSA-N 1 0 324.399 4.117 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1 ZINC000360994287 1044342145 /nfs/dbraw/zinc/34/21/45/1044342145.db2.gz DQZKPPDTJWSDCC-FQEVSTJZSA-N 1 0 309.409 4.124 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000348242229 1044345403 /nfs/dbraw/zinc/34/54/03/1044345403.db2.gz INPDWYKKGQOWGN-HNNXBMFYSA-N 1 0 306.837 4.473 20 30 DIEDRO C=CCOc1ccc(CN2CCC[C@H]2c2csc(C)n2)cc1 ZINC000361060540 1044353940 /nfs/dbraw/zinc/35/39/40/1044353940.db2.gz QCHPAISPXNKCOZ-SFHVURJKSA-N 1 0 314.454 4.353 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC001202587915 1044364383 /nfs/dbraw/zinc/36/43/83/1044364383.db2.gz UYSHLWTUTAOFSH-HNNXBMFYSA-N 1 0 307.384 4.004 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000475342870 1044370449 /nfs/dbraw/zinc/37/04/49/1044370449.db2.gz MDHUOURUTUSLPW-QAPCUYQASA-N 1 0 312.363 4.262 20 30 DIEDRO CCCCCCCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000935960721 1044374621 /nfs/dbraw/zinc/37/46/21/1044374621.db2.gz DRWYYDBXLDCIOR-KRWDZBQOSA-N 1 0 320.477 4.283 20 30 DIEDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1(C)C ZINC000361235587 1044377543 /nfs/dbraw/zinc/37/75/43/1044377543.db2.gz CUSPRZKODUDCAP-RCCFBDPRSA-N 1 0 300.446 4.213 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(F)c(F)c(F)c1 ZINC000564717776 1044400264 /nfs/dbraw/zinc/40/02/64/1044400264.db2.gz MFMQWXAUIFSQCJ-LLVKDONJSA-N 1 0 316.326 4.315 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000565353372 1044430168 /nfs/dbraw/zinc/43/01/68/1044430168.db2.gz ZPAMXYLKRBSXQT-KMFMINBZSA-N 1 0 301.821 4.009 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1F ZINC000361711932 1044434389 /nfs/dbraw/zinc/43/43/89/1044434389.db2.gz NDZUGGRMWZSWQF-UHFFFAOYSA-N 1 0 316.420 4.011 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000565458047 1044436690 /nfs/dbraw/zinc/43/66/90/1044436690.db2.gz LWZSUGACCQSOHY-JNSUZQQQSA-N 1 0 317.436 4.411 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000565458050 1044437608 /nfs/dbraw/zinc/43/76/08/1044437608.db2.gz LWZSUGACCQSOHY-ZOXUKVPXSA-N 1 0 317.436 4.411 20 30 DIEDRO CC(C)(CC#N)CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000565844950 1044458747 /nfs/dbraw/zinc/45/87/47/1044458747.db2.gz GDLKILBIESAPNF-QGZVFWFLSA-N 1 0 302.487 4.324 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(C)c1O ZINC000565860211 1044461125 /nfs/dbraw/zinc/46/11/25/1044461125.db2.gz LYLCWVGZXHUIIO-VQTJNVASSA-N 1 0 320.436 4.281 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000565976643 1044467280 /nfs/dbraw/zinc/46/72/80/1044467280.db2.gz BOVZXCXVUPGPPU-SFHVURJKSA-N 1 0 324.424 4.159 20 30 DIEDRO C[NH+](C)[C@@H](CNc1cc(Cl)ccc1C#N)c1ccc(F)cc1 ZINC000609894756 1044467352 /nfs/dbraw/zinc/46/73/52/1044467352.db2.gz PKRNDZCWMGERES-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)c(Cl)c1 ZINC000566219070 1044477838 /nfs/dbraw/zinc/47/78/38/1044477838.db2.gz ADMQZUGGNYVCGK-CYBMUJFWSA-N 1 0 314.816 4.265 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000609916463 1044479350 /nfs/dbraw/zinc/47/93/50/1044479350.db2.gz QAKPIMICWRKIKG-MAUKXSAKSA-N 1 0 308.400 4.323 20 30 DIEDRO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCCC#N)cc1 ZINC000362290915 1044497236 /nfs/dbraw/zinc/49/72/36/1044497236.db2.gz UHRKTAQNQFBLNL-RBUKOAKNSA-N 1 0 300.446 4.393 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCC2(c3ccc(Cl)cc3)CC2)c1 ZINC000303988344 1044524013 /nfs/dbraw/zinc/52/40/13/1044524013.db2.gz WMIQKLBRECMCCM-UHFFFAOYSA-N 1 0 313.832 4.107 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccc(OC)c(OC)c1Cl ZINC000566928769 1044528377 /nfs/dbraw/zinc/52/83/77/1044528377.db2.gz BFQXKDJNQYUYMO-CQSZACIVSA-N 1 0 311.853 4.234 20 30 DIEDRO CCCCCC(C)(C)CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000304944573 1044535568 /nfs/dbraw/zinc/53/55/68/1044535568.db2.gz PBBMVKMAVPHFNU-UHFFFAOYSA-N 1 0 321.465 4.037 20 30 DIEDRO COCCCC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000348327561 1044538356 /nfs/dbraw/zinc/53/83/56/1044538356.db2.gz JJYUBLLPSNMUMZ-HXUWFJFHSA-N 1 0 308.425 4.206 20 30 DIEDRO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccccc1C(C)(C)C#N ZINC000135242340 1044542608 /nfs/dbraw/zinc/54/26/08/1044542608.db2.gz UVMHRAVTUQURMQ-UHFFFAOYSA-N 1 0 313.832 4.168 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCC2(c3ccccc3Cl)CC2)c1 ZINC000305661245 1044545105 /nfs/dbraw/zinc/54/51/05/1044545105.db2.gz GTGLZALVYJEYLK-UHFFFAOYSA-N 1 0 313.832 4.107 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccco1 ZINC000567258138 1044553340 /nfs/dbraw/zinc/55/33/40/1044553340.db2.gz QAFSTSQJGZYUHP-OALUTQOASA-N 1 0 310.441 4.151 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccco1 ZINC000567258139 1044554339 /nfs/dbraw/zinc/55/43/39/1044554339.db2.gz QAFSTSQJGZYUHP-RBUKOAKNSA-N 1 0 310.441 4.151 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ncccc2C)C(C)C)cc1 ZINC000115622705 1044560424 /nfs/dbraw/zinc/56/04/24/1044560424.db2.gz DNFSCXGLMAWHKP-HXUWFJFHSA-N 1 0 322.452 4.279 20 30 DIEDRO Cc1ccccc1OCCC[N@H+](C)CCCCC(C)(C)C#N ZINC000444596725 1044569924 /nfs/dbraw/zinc/56/99/24/1044569924.db2.gz ZHQYZYDRKLNMRV-UHFFFAOYSA-N 1 0 302.462 4.416 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000353415013 1044571070 /nfs/dbraw/zinc/57/10/70/1044571070.db2.gz DMSSFRCUFIOVEN-UHFFFAOYSA-N 1 0 320.436 4.318 20 30 DIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1CC1 ZINC000444591235 1044571217 /nfs/dbraw/zinc/57/12/17/1044571217.db2.gz MUELLCYAWXJYCD-UHFFFAOYSA-N 1 0 304.437 4.228 20 30 DIEDRO CC(C)(C#N)CCCN1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363113371 1044583747 /nfs/dbraw/zinc/58/37/47/1044583747.db2.gz DAOFRUGOKYDXFX-GFCCVEGCSA-N 1 0 312.866 4.105 20 30 DIEDRO Cc1ccccc1[C@H]1C[N@H+](CCCCC(C)(C)C#N)[C@H](C)CO1 ZINC000444652871 1044584965 /nfs/dbraw/zinc/58/49/65/1044584965.db2.gz KIXXOUMELJXGJB-IEBWSBKVSA-N 1 0 314.473 4.477 20 30 DIEDRO COc1cncc(/C=C/CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000567790201 1044586234 /nfs/dbraw/zinc/58/62/34/1044586234.db2.gz RTKSTOOIAIYZCW-IEXSPKMKSA-N 1 0 321.424 4.058 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000444641141 1044589141 /nfs/dbraw/zinc/58/91/41/1044589141.db2.gz OUJBODUQSXEWCU-QGZVFWFLSA-N 1 0 302.437 4.410 20 30 DIEDRO CC[C@@](C)(O)C[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444685852 1044590488 /nfs/dbraw/zinc/59/04/88/1044590488.db2.gz QCQJCTMYFXSWRA-HXUWFJFHSA-N 1 0 316.489 4.370 20 30 DIEDRO C=C(C)[C@H](NCCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000444642571 1044592180 /nfs/dbraw/zinc/59/21/80/1044592180.db2.gz RKYGUGNRXBRAQB-SFHVURJKSA-N 1 0 308.416 4.048 20 30 DIEDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC000444691476 1044606502 /nfs/dbraw/zinc/60/65/02/1044606502.db2.gz ZGIZETKFRHWVKW-UHFFFAOYSA-N 1 0 312.461 4.118 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCOC4(CCCCC4)C3)CCC2)cc1 ZINC000886156162 1044620477 /nfs/dbraw/zinc/62/04/77/1044620477.db2.gz YXIUSQCGOVOQEK-LJQANCHMSA-N 1 0 324.468 4.409 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2cnn(C)c2C(F)(F)F)CCCC1(C)C ZINC000444782635 1044621361 /nfs/dbraw/zinc/62/13/61/1044621361.db2.gz IVLSROSWIYDVMS-ZDUSSCGKSA-N 1 0 315.383 4.006 20 30 DIEDRO C=CCN1CC[C@]2(CC[N@@H+](C/C=C/CCCCCCC)C2)C1=O ZINC001275840781 1044628894 /nfs/dbraw/zinc/62/88/94/1044628894.db2.gz RHHZXXVFITVXRT-CFGKVWFZSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@H+](C)[C@@H]2CCc3ccccc32)c1O ZINC000218803492 1044630097 /nfs/dbraw/zinc/63/00/97/1044630097.db2.gz LKHQEXYHENPRGI-HXUWFJFHSA-N 1 0 323.436 4.249 20 30 DIEDRO CC[C@]1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)OCCc2ccccc21 ZINC000568807391 1044651999 /nfs/dbraw/zinc/65/19/99/1044651999.db2.gz PYPZNWNKYACZQK-HRAATJIYSA-N 1 0 320.436 4.087 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cl)cc1F)CC2 ZINC000568806368 1044652187 /nfs/dbraw/zinc/65/21/87/1044652187.db2.gz GMVKLVDRFRGSMN-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO C=C(C)CN1CC[C@]2(CC[N@@H+](CCCCC/C=C\CC)C2)C1=O ZINC001275862775 1044652227 /nfs/dbraw/zinc/65/22/27/1044652227.db2.gz OWGZUODCKIKBTH-PRPIBZDOSA-N 1 0 318.505 4.014 20 30 DIEDRO CC[C@@]1(C[NH2+][C@H](C)c2ccc(C#N)cc2)OCCc2ccccc21 ZINC000568807394 1044652780 /nfs/dbraw/zinc/65/27/80/1044652780.db2.gz PYPZNWNKYACZQK-IERDGZPVSA-N 1 0 320.436 4.087 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(c3cccc(F)c3)CC2)cc1 ZINC000523527646 1044654104 /nfs/dbraw/zinc/65/41/04/1044654104.db2.gz DDUTXFQLVWDAIR-UHFFFAOYSA-N 1 0 311.400 4.212 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)c1cncc(C(=O)OC)c1)c1ccccc1 ZINC000886553124 1044658700 /nfs/dbraw/zinc/65/87/00/1044658700.db2.gz DSSNISPHAKXNKQ-KXBFYZLASA-N 1 0 324.424 4.226 20 30 DIEDRO C=C(C)CN1CC[C@]2(CCC[N@H+]2CC[C@H](C)CC(C)(C)C)C1=O ZINC001275888711 1044661551 /nfs/dbraw/zinc/66/15/51/1044661551.db2.gz KKAUYGBEQWITKO-FXAWDEMLSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC[C@H](C)CC(C)(C)C ZINC001275879434 1044661635 /nfs/dbraw/zinc/66/16/35/1044661635.db2.gz DPMJEPRPWBYZCH-PXNSSMCTSA-N 1 0 320.521 4.092 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000568997821 1044663758 /nfs/dbraw/zinc/66/37/58/1044663758.db2.gz ZDVSSFPNYMBIEI-INIZCTEOSA-N 1 0 305.425 4.459 20 30 DIEDRO N#CCSCCC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000072517840 1044672650 /nfs/dbraw/zinc/67/26/50/1044672650.db2.gz MQMDKJJYHGJYKY-SFHVURJKSA-N 1 0 313.470 4.342 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1C#N ZINC000886689613 1044680725 /nfs/dbraw/zinc/68/07/25/1044680725.db2.gz DMJYISNWWVOXOO-SFHVURJKSA-N 1 0 324.449 4.153 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cc1C#N ZINC000886687973 1044681426 /nfs/dbraw/zinc/68/14/26/1044681426.db2.gz IMQWLPAODJFIAG-KRWDZBQOSA-N 1 0 312.413 4.196 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccnc(Cl)c2)cc1C#N ZINC000886688537 1044681454 /nfs/dbraw/zinc/68/14/54/1044681454.db2.gz UQXCOBULWUSTCM-NSHDSACASA-N 1 0 317.845 4.179 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)COC3)cc1C#N ZINC000886688011 1044681536 /nfs/dbraw/zinc/68/15/36/1044681536.db2.gz JEACUKCXBLORHE-ZDUSSCGKSA-N 1 0 324.449 4.161 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)cc1C#N ZINC000886688687 1044681746 /nfs/dbraw/zinc/68/17/46/1044681746.db2.gz XUBJGVGWQJVVFI-KRWDZBQOSA-N 1 0 312.413 4.196 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000523731951 1044681801 /nfs/dbraw/zinc/68/18/01/1044681801.db2.gz ISDWKPKPBGGDJL-IBGZPJMESA-N 1 0 322.452 4.010 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)cc1C#N ZINC000886689801 1044681816 /nfs/dbraw/zinc/68/18/16/1044681816.db2.gz HVPYCEGFWPUODU-NSHDSACASA-N 1 0 316.392 4.491 20 30 DIEDRO Cc1csc(C[C@@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000886692201 1044681899 /nfs/dbraw/zinc/68/18/99/1044681899.db2.gz UHRSAKDMGKVJCE-INIZCTEOSA-N 1 0 319.518 4.426 20 30 DIEDRO CCC[C@]1(C)CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000076145463 1044690851 /nfs/dbraw/zinc/69/08/51/1044690851.db2.gz SDIVSAYDYMRVCG-LJQANCHMSA-N 1 0 324.428 4.010 20 30 DIEDRO C=CCC1(O)CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000886768652 1044693512 /nfs/dbraw/zinc/69/35/12/1044693512.db2.gz FTDCUOQJVPLHAN-UHFFFAOYSA-N 1 0 305.421 4.159 20 30 DIEDRO C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000886773846 1044695461 /nfs/dbraw/zinc/69/54/61/1044695461.db2.gz CDVLPKUUDNQLMG-KBXCAEBGSA-N 1 0 316.420 4.087 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000365616396 1044697991 /nfs/dbraw/zinc/69/79/91/1044697991.db2.gz ACDATCHKXQJKIX-QZTJIDSGSA-N 1 0 300.446 4.074 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1ccc(C#N)cc1 ZINC000365740774 1044701139 /nfs/dbraw/zinc/70/11/39/1044701139.db2.gz XULLJDODTPCMFA-OALUTQOASA-N 1 0 322.408 4.131 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc2ccccc21 ZINC000886920730 1044718787 /nfs/dbraw/zinc/71/87/87/1044718787.db2.gz IDYBEIXDQLZABI-LPHOPBHVSA-N 1 0 310.441 4.181 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc2ccccc21 ZINC000886920731 1044719950 /nfs/dbraw/zinc/71/99/50/1044719950.db2.gz IDYBEIXDQLZABI-QFBILLFUSA-N 1 0 310.441 4.181 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000886921887 1044720559 /nfs/dbraw/zinc/72/05/59/1044720559.db2.gz IGUJBSZMKHNDMN-IBGZPJMESA-N 1 0 308.400 4.404 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000034992589 1044796435 /nfs/dbraw/zinc/79/64/35/1044796435.db2.gz NBXIOOZNEGHAFA-ZDUSSCGKSA-N 1 0 300.789 4.093 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH+]1CCC(O)CC1 ZINC001253562095 1044798716 /nfs/dbraw/zinc/79/87/16/1044798716.db2.gz AYMQLTOFPAUUKP-IBGZPJMESA-N 1 0 313.526 4.115 20 30 DIEDRO Cc1ccc([C@@H](NCc2cccc(C#N)c2)c2ccccn2)cc1 ZINC000369283451 1044801632 /nfs/dbraw/zinc/80/16/32/1044801632.db2.gz NJYCDGOIYWHDGI-OAQYLSRUSA-N 1 0 313.404 4.141 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000571324780 1044808912 /nfs/dbraw/zinc/80/89/12/1044808912.db2.gz FDNYDHRDHLULOF-UXHICEINSA-N 1 0 319.452 4.272 20 30 DIEDRO C=CCC(CC=C)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000128723429 1044836999 /nfs/dbraw/zinc/83/69/99/1044836999.db2.gz QIOYDICWJYIRLA-UHFFFAOYSA-N 1 0 312.457 4.298 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000572213520 1044847820 /nfs/dbraw/zinc/84/78/20/1044847820.db2.gz BWPIZDMUCPXUMW-INIZCTEOSA-N 1 0 323.440 4.341 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000572626230 1044867126 /nfs/dbraw/zinc/86/71/26/1044867126.db2.gz WUDUNLZROGTWJG-LJQANCHMSA-N 1 0 315.420 4.136 20 30 DIEDRO CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(C)cc1 ZINC000337166984 1044869531 /nfs/dbraw/zinc/86/95/31/1044869531.db2.gz AOSUHCZPTJPPST-GOSISDBHSA-N 1 0 300.446 4.136 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)s1 ZINC000572683347 1044869819 /nfs/dbraw/zinc/86/98/19/1044869819.db2.gz RGIDETGEBCOALO-MRXNPFEDSA-N 1 0 300.427 4.211 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)c(F)c1 ZINC000337171613 1044872107 /nfs/dbraw/zinc/87/21/07/1044872107.db2.gz DVGZWBYPUDGARP-UHFFFAOYSA-N 1 0 324.827 4.011 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475639752 1044899696 /nfs/dbraw/zinc/89/96/96/1044899696.db2.gz PKFJIIVTFBHZST-ZDUSSCGKSA-N 1 0 301.352 4.115 20 30 DIEDRO C=CCCC[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC001168086476 1044904840 /nfs/dbraw/zinc/90/48/40/1044904840.db2.gz QMBDUTLZFISHAJ-QQXKLLMISA-N 1 0 320.521 4.137 20 30 DIEDRO CCCCCCCCC(=O)NCc1ccnc(N2CCCC2)c1 ZINC000887651696 1044924133 /nfs/dbraw/zinc/92/41/33/1044924133.db2.gz XDXYSUUQZBCDAD-UHFFFAOYSA-N 1 0 317.477 4.049 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000574684210 1044967927 /nfs/dbraw/zinc/96/79/27/1044967927.db2.gz IBENDMPJPXIUCD-SUMWQHHRSA-N 1 0 301.821 4.214 20 30 DIEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H](CCO)c1ccccc1 ZINC000135256230 1044977804 /nfs/dbraw/zinc/97/78/04/1044977804.db2.gz AANCJZKFZRGYQS-HXUWFJFHSA-N 1 0 322.452 4.043 20 30 DIEDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135316287 1044978459 /nfs/dbraw/zinc/97/84/59/1044978459.db2.gz ZFMORTSNPOUIDL-KRWDZBQOSA-N 1 0 324.428 4.009 20 30 DIEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135346333 1044979999 /nfs/dbraw/zinc/97/99/99/1044979999.db2.gz IQXHQXAGMJNCTD-WMLDXEAASA-N 1 0 324.428 4.009 20 30 DIEDRO N#CCCCC[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000136107387 1044984320 /nfs/dbraw/zinc/98/43/20/1044984320.db2.gz YLVQEJSIZOYMGX-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO N#CC1(CCN2CCO[C@@H](c3cccc(F)c3)C2)CCCCC1 ZINC000411216991 1044985425 /nfs/dbraw/zinc/98/54/25/1044985425.db2.gz KTHDNAJSVICQCW-GOSISDBHSA-N 1 0 316.420 4.063 20 30 DIEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000411315939 1044995622 /nfs/dbraw/zinc/99/56/22/1044995622.db2.gz KCARMFVJWMLJGB-YPMHNXCESA-N 1 0 313.228 4.139 20 30 DIEDRO C[C@H](CCC#N)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000411679600 1045023772 /nfs/dbraw/zinc/02/37/72/1045023772.db2.gz VSRPOPTUOISFCF-CYBMUJFWSA-N 1 0 321.262 4.321 20 30 DIEDRO C[C@@H](CCC#N)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000411688845 1045025083 /nfs/dbraw/zinc/02/50/83/1045025083.db2.gz IYUBVFVYXMFUTG-ZDUSSCGKSA-N 1 0 321.262 4.321 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374062281 1045029014 /nfs/dbraw/zinc/02/90/14/1045029014.db2.gz BVYXJPLNJOLMKS-QGZVFWFLSA-N 1 0 301.821 4.117 20 30 DIEDRO COc1c(C)cnc(C[N@H+](C)CCC2(C#N)CCCCC2)c1C ZINC000411805170 1045029903 /nfs/dbraw/zinc/02/99/03/1045029903.db2.gz ZEHGTSBEMXEWFE-UHFFFAOYSA-N 1 0 315.461 4.003 20 30 DIEDRO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1C ZINC000446752634 1045031554 /nfs/dbraw/zinc/03/15/54/1045031554.db2.gz IIKLKHBGPRPRGQ-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO COc1ccc(C#N)cc1CN(Cc1ccccc1F)C(C)C ZINC000446767394 1045032459 /nfs/dbraw/zinc/03/24/59/1045032459.db2.gz VEUPDTYRBWFZDJ-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO N#Cc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)o1 ZINC000374285102 1045043480 /nfs/dbraw/zinc/04/34/80/1045043480.db2.gz XLXNDFFEXZAOIF-MRXNPFEDSA-N 1 0 307.353 4.020 20 30 DIEDRO C[N@H+](CCCSCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017437 1045045312 /nfs/dbraw/zinc/04/53/12/1045045312.db2.gz ZFIHXPVRTRRPOV-MSOLQXFVSA-N 1 0 302.487 4.291 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000193324501 1045053974 /nfs/dbraw/zinc/05/39/74/1045053974.db2.gz UESPXURJLCPRQU-CZUORRHYSA-N 1 0 322.374 4.409 20 30 DIEDRO CC(C)c1[nH+]c(CN[C@H](C)c2ccc(C#N)cc2)c2ccccn21 ZINC000576470873 1045058549 /nfs/dbraw/zinc/05/85/49/1045058549.db2.gz SWSUEMJXICNQGQ-OAHLLOKOSA-N 1 0 318.424 4.180 20 30 DIEDRO CC(C)c1[nH+]c(CN[C@@H](C)c2ccc(C#N)cc2)c2ccccn21 ZINC000576470871 1045060311 /nfs/dbraw/zinc/06/03/11/1045060311.db2.gz SWSUEMJXICNQGQ-HNNXBMFYSA-N 1 0 318.424 4.180 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000576672701 1045072443 /nfs/dbraw/zinc/07/24/43/1045072443.db2.gz BCHXVBODVVBLHJ-RCCFBDPRSA-N 1 0 300.471 4.199 20 30 DIEDRO Cc1cccc2c(CC[NH2+][C@H]3CCc4ccc(C#N)cc43)c[nH]c21 ZINC000577308873 1045114773 /nfs/dbraw/zinc/11/47/73/1045114773.db2.gz LTVVIGUFHPOIPG-FQEVSTJZSA-N 1 0 315.420 4.168 20 30 DIEDRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000577464845 1045125226 /nfs/dbraw/zinc/12/52/26/1045125226.db2.gz JCEYDWGDRBLIEJ-VQIMIIECSA-N 1 0 311.473 4.085 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001256830963 1045133497 /nfs/dbraw/zinc/13/34/97/1045133497.db2.gz NKAOXTJJKKIZSK-UMVBOHGHSA-N 1 0 321.262 4.052 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccco1 ZINC000577564707 1045136828 /nfs/dbraw/zinc/13/68/28/1045136828.db2.gz SJTHCBDRIRRPCY-YJBOKZPZSA-N 1 0 317.454 4.426 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000447530753 1045137021 /nfs/dbraw/zinc/13/70/21/1045137021.db2.gz NNRXFNRDIMXFCL-CXAGYDPISA-N 1 0 308.381 4.089 20 30 DIEDRO CC[N@H+](Cc1ccc(Br)cc1)C1CCC(C#N)CC1 ZINC001256971065 1045140183 /nfs/dbraw/zinc/14/01/83/1045140183.db2.gz AUBBPXDIPYQSQX-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](COc2ccccc2)c2ccccc2)C1 ZINC000447586755 1045153646 /nfs/dbraw/zinc/15/36/46/1045153646.db2.gz OPTGNJXEKPSQKP-QFUCXCTJSA-N 1 0 320.436 4.479 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000447587397 1045153662 /nfs/dbraw/zinc/15/36/62/1045153662.db2.gz QXCABTOQKGHFJK-QGZVFWFLSA-N 1 0 316.351 4.401 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000447591344 1045154547 /nfs/dbraw/zinc/15/45/47/1045154547.db2.gz HQRXVWHZMOUMNU-IRXDYDNUSA-N 1 0 318.411 4.302 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000447596282 1045157300 /nfs/dbraw/zinc/15/73/00/1045157300.db2.gz PQFOPCQYVIABQX-TYCQWZJGSA-N 1 0 321.468 4.290 20 30 DIEDRO CC[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(C#N)cc1 ZINC000447606821 1045159873 /nfs/dbraw/zinc/15/98/73/1045159873.db2.gz NSJOMDAVUXQJOI-KRWDZBQOSA-N 1 0 320.392 4.017 20 30 DIEDRO CC[C@@H]([NH2+]CCCNc1ccccc1F)c1ccc(C#N)cc1 ZINC000447603929 1045160740 /nfs/dbraw/zinc/16/07/40/1045160740.db2.gz ZKPFCWALDURHLH-GOSISDBHSA-N 1 0 311.404 4.240 20 30 DIEDRO CCCCOc1ccccc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000577729098 1045166944 /nfs/dbraw/zinc/16/69/44/1045166944.db2.gz DBPPKQJSBMJSGT-UHFFFAOYSA-N 1 0 308.425 4.221 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)c(Cl)c1 ZINC000577795865 1045172276 /nfs/dbraw/zinc/17/22/76/1045172276.db2.gz XCOGTXIZUYEPDL-LBPRGKRZSA-N 1 0 302.780 4.396 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(N(CC)C(=O)CC)CC1 ZINC001258049848 1045175439 /nfs/dbraw/zinc/17/54/39/1045175439.db2.gz PRSWHNGXROAXKA-KRWDZBQOSA-N 1 0 310.526 4.458 20 30 DIEDRO N#Cc1cccc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)c1F ZINC000557434440 1045177338 /nfs/dbraw/zinc/17/73/38/1045177338.db2.gz XSFFLBWSNVQNQX-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO C[C@H](CC1CCC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000601154805 1045193378 /nfs/dbraw/zinc/19/33/78/1045193378.db2.gz YEJBBQYLIHOLJW-MRXNPFEDSA-N 1 0 322.456 4.132 20 30 DIEDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000527105996 1045195858 /nfs/dbraw/zinc/19/58/58/1045195858.db2.gz MOZCIGCQXHHOPV-HZPDHXFCSA-N 1 0 308.425 4.158 20 30 DIEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000924816066 1045201238 /nfs/dbraw/zinc/20/12/38/1045201238.db2.gz VJBABGHFYVTWNY-MRXNPFEDSA-N 1 0 324.472 4.031 20 30 DIEDRO CSCc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000578102643 1045208874 /nfs/dbraw/zinc/20/88/74/1045208874.db2.gz SIKJCIQOSNZXDG-IBGZPJMESA-N 1 0 308.450 4.198 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000924904230 1045209645 /nfs/dbraw/zinc/20/96/45/1045209645.db2.gz OUNWLPIIRJWVEF-HNNXBMFYSA-N 1 0 302.462 4.420 20 30 DIEDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000601282030 1045210265 /nfs/dbraw/zinc/21/02/65/1045210265.db2.gz YQEADVMWFMRMFW-RTWAWAEBSA-N 1 0 318.420 4.221 20 30 DIEDRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000601299158 1045211703 /nfs/dbraw/zinc/21/17/03/1045211703.db2.gz JEMUUMBWBLVTNN-SJKOYZFVSA-N 1 0 311.454 4.442 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601292434 1045212421 /nfs/dbraw/zinc/21/24/21/1045212421.db2.gz WZFPPGXFOKVGOS-SFHLNBCPSA-N 1 0 319.452 4.427 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)c1ncc(C(F)(F)F)cc1Cl ZINC000924941248 1045212586 /nfs/dbraw/zinc/21/25/86/1045212586.db2.gz FMPCZMKJGPSSOP-SECBINFHSA-N 1 0 305.731 4.098 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2c3ccccc3[nH]c2C(F)(F)F)C1 ZINC000601291069 1045212783 /nfs/dbraw/zinc/21/27/83/1045212783.db2.gz FOGPWCDSAOOELP-RYUDHWBXSA-N 1 0 321.346 4.011 20 30 DIEDRO C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc(C#N)c(F)c1 ZINC000601303122 1045214035 /nfs/dbraw/zinc/21/40/35/1045214035.db2.gz CQAJDWUMNLMAMH-KBXCAEBGSA-N 1 0 316.420 4.087 20 30 DIEDRO C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc(C#N)cc1F ZINC000601304451 1045214399 /nfs/dbraw/zinc/21/43/99/1045214399.db2.gz OWSWCIYOJKIJPL-KSSFIOAISA-N 1 0 316.420 4.087 20 30 DIEDRO CC[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc(C#N)cc1 ZINC000601304691 1045214455 /nfs/dbraw/zinc/21/44/55/1045214455.db2.gz QUXXXKOGZYMIJF-RBUKOAKNSA-N 1 0 312.457 4.338 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1ccncc1 ZINC000925074765 1045223910 /nfs/dbraw/zinc/22/39/10/1045223910.db2.gz KBECQXRGCLRLGI-IRXDYDNUSA-N 1 0 313.832 4.414 20 30 DIEDRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000925079070 1045224513 /nfs/dbraw/zinc/22/45/13/1045224513.db2.gz DTQPLXAHBQYVIT-DLBZAZTESA-N 1 0 313.489 4.130 20 30 DIEDRO N#CCC[C@@H](C#N)CN[C@H](Cc1ccccc1)c1ccccc1F ZINC000578316347 1045230710 /nfs/dbraw/zinc/23/07/10/1045230710.db2.gz XNNNUZRZPMUAKD-FXAWDEMLSA-N 1 0 321.399 4.143 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(C(C)(C)O)cc1 ZINC000925185594 1045233197 /nfs/dbraw/zinc/23/31/97/1045233197.db2.gz NEXCGQWEWTVUSV-HUUCEWRRSA-N 1 0 308.425 4.197 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)c1cccc(C#N)c1 ZINC000925185596 1045233505 /nfs/dbraw/zinc/23/35/05/1045233505.db2.gz NEXCGQWEWTVUSV-LSDHHAIUSA-N 1 0 308.425 4.197 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000527927177 1045278219 /nfs/dbraw/zinc/27/82/19/1045278219.db2.gz LTYGONBBMKOYOT-HOTGVXAUSA-N 1 0 323.864 4.285 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000527927180 1045278625 /nfs/dbraw/zinc/27/86/25/1045278625.db2.gz LTYGONBBMKOYOT-HZPDHXFCSA-N 1 0 323.864 4.285 20 30 DIEDRO N#CCc1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000579121451 1045295055 /nfs/dbraw/zinc/29/50/55/1045295055.db2.gz FWRJEOXOUODSNH-UHFFFAOYSA-N 1 0 310.363 4.211 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ncccc1F ZINC000528035359 1045295456 /nfs/dbraw/zinc/29/54/56/1045295456.db2.gz GRDAIGDERIDHTK-FVWXCPNNSA-N 1 0 323.415 4.275 20 30 DIEDRO CC[C@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccc(C#N)cc1 ZINC000528043146 1045299764 /nfs/dbraw/zinc/29/97/64/1045299764.db2.gz LIYPYCBBDSDHDT-ICSRJNTNSA-N 1 0 321.424 4.154 20 30 DIEDRO C#CCCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000779128064 1045300351 /nfs/dbraw/zinc/30/03/51/1045300351.db2.gz NOJOEMMWAJLRKD-FQEVSTJZSA-N 1 0 311.400 4.317 20 30 DIEDRO C#CCCCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000779128065 1045300975 /nfs/dbraw/zinc/30/09/75/1045300975.db2.gz NOJOEMMWAJLRKD-HXUWFJFHSA-N 1 0 311.400 4.317 20 30 DIEDRO N#CCCC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000579232799 1045301504 /nfs/dbraw/zinc/30/15/04/1045301504.db2.gz DUMOVSWNMPKEJQ-UHFFFAOYSA-N 1 0 320.358 4.073 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000216166437 1045302073 /nfs/dbraw/zinc/30/20/73/1045302073.db2.gz VEIUWGARRQSSQK-NSHDSACASA-N 1 0 315.244 4.218 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000579651930 1045328546 /nfs/dbraw/zinc/32/85/46/1045328546.db2.gz KKLXPLYEDJQOMN-SGTLLEGYSA-N 1 0 310.372 4.044 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000188180816 1045334559 /nfs/dbraw/zinc/33/45/59/1045334559.db2.gz GRPJGRRTTDQVOG-PZJWPPBQSA-N 1 0 320.436 4.189 20 30 DIEDRO C=CCCCC[C@@H](C)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000449041850 1045339511 /nfs/dbraw/zinc/33/95/11/1045339511.db2.gz ORHFASMYJIWDAL-QGZVFWFLSA-N 1 0 316.489 4.190 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C#N)cc1 ZINC000449076118 1045345422 /nfs/dbraw/zinc/34/54/22/1045345422.db2.gz SMLCGGQRTLAEQK-BMIGLBTASA-N 1 0 316.326 4.314 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000449096166 1045346265 /nfs/dbraw/zinc/34/62/65/1045346265.db2.gz FGVUEGKYRFZUCE-IQNGYNMSSA-N 1 0 312.457 4.216 20 30 DIEDRO CC(C)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1nc2ccccc2[nH]1 ZINC000449099940 1045346297 /nfs/dbraw/zinc/34/62/97/1045346297.db2.gz AJVTXKFIUZLZNU-LTCLLZNKSA-N 1 0 310.445 4.322 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2nccs2)c2ccccc2)CC1 ZINC000449108419 1045347447 /nfs/dbraw/zinc/34/74/47/1045347447.db2.gz QNHJIELXKCAQIT-PQUAAJSLSA-N 1 0 311.454 4.295 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449124068 1045350074 /nfs/dbraw/zinc/35/00/74/1045350074.db2.gz PLOAADGLXWLOOR-LPHOPBHVSA-N 1 0 318.892 4.216 20 30 DIEDRO COc1ccc(C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449130811 1045350096 /nfs/dbraw/zinc/35/00/96/1045350096.db2.gz HYDXKUMLDTVUOO-UHFFFAOYSA-N 1 0 300.446 4.035 20 30 DIEDRO COc1ccc([C@H](C)CC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449154448 1045352430 /nfs/dbraw/zinc/35/24/30/1045352430.db2.gz NFDWAYVIVPKQAK-LSJNQWAISA-N 1 0 300.446 4.251 20 30 DIEDRO C[C@@H](Cc1ccoc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000449157794 1045353479 /nfs/dbraw/zinc/35/34/79/1045353479.db2.gz RGFMLLAENPZNNS-MNNVXMFVSA-N 1 0 324.424 4.062 20 30 DIEDRO CO[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000449168881 1045353626 /nfs/dbraw/zinc/35/36/26/1045353626.db2.gz CAGLPLSWYWHRLP-CGZBRXJRSA-N 1 0 306.837 4.090 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000449188563 1045360441 /nfs/dbraw/zinc/36/04/41/1045360441.db2.gz SJWWOXZJODLIEM-FEWQNLEASA-N 1 0 302.384 4.417 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000449197411 1045361920 /nfs/dbraw/zinc/36/19/20/1045361920.db2.gz VXCSVBWDGBTGFC-NUVZVAJJSA-N 1 0 312.457 4.186 20 30 DIEDRO CC(C)(C)c1nc(CC[NH2+]C2CCC(C)(C#N)CC2)cs1 ZINC000449201457 1045361952 /nfs/dbraw/zinc/36/19/52/1045361952.db2.gz DTXCQURELIYFIC-UHFFFAOYSA-N 1 0 305.491 4.045 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000449234658 1045366808 /nfs/dbraw/zinc/36/68/08/1045366808.db2.gz CLKXFTRFAVJABR-QGLXBCBXSA-N 1 0 316.420 4.108 20 30 DIEDRO Cc1cccc(C(C)(C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000076764258 1045371358 /nfs/dbraw/zinc/37/13/58/1045371358.db2.gz PDOZGSZADQKRHM-UHFFFAOYSA-N 1 0 321.468 4.370 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000449334332 1045380870 /nfs/dbraw/zinc/38/08/70/1045380870.db2.gz IXNLEIKYKGVDQT-SKINQDTJSA-N 1 0 324.468 4.143 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000449520237 1045407059 /nfs/dbraw/zinc/40/70/59/1045407059.db2.gz OWKPLTQZYKKGFS-GCENKBPGSA-N 1 0 311.347 4.042 20 30 DIEDRO Cc1cc(Cl)ccc1C1=CCN(C[C@H](C#N)CCC#N)CC1 ZINC000528740443 1045407070 /nfs/dbraw/zinc/40/70/70/1045407070.db2.gz GEPUYFBSMUNZQH-HNNXBMFYSA-N 1 0 313.832 4.181 20 30 DIEDRO C=CCC1(C[NH2+]Cc2csc(-c3ccccn3)n2)CCCC1 ZINC000449605768 1045419988 /nfs/dbraw/zinc/41/99/88/1045419988.db2.gz OFHLBZZEOLUTRR-UHFFFAOYSA-N 1 0 313.470 4.431 20 30 DIEDRO CCCCOc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737993 1045432545 /nfs/dbraw/zinc/43/25/45/1045432545.db2.gz WWUNAIAKLCDOFX-UHFFFAOYSA-N 1 0 312.388 4.166 20 30 DIEDRO N#Cc1csc(CN2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000449735754 1045433200 /nfs/dbraw/zinc/43/32/00/1045433200.db2.gz UVCJCAWVJHDBOE-INIZCTEOSA-N 1 0 304.365 4.235 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccc(C#N)s3)C2)c1 ZINC000449754376 1045434279 /nfs/dbraw/zinc/43/42/79/1045434279.db2.gz JJYFGMLOKMJLHG-SHTZXODSSA-N 1 0 312.438 4.006 20 30 DIEDRO CC[N@H+](Cc1cn2cccc(C)c2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340368 1045468814 /nfs/dbraw/zinc/46/88/14/1045468814.db2.gz ZQRVGQXYAOEJQO-INIZCTEOSA-N 1 0 318.424 4.098 20 30 DIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(F)(F)C1 ZINC000450298152 1045483779 /nfs/dbraw/zinc/48/37/79/1045483779.db2.gz LLMRRPMOCJRWFO-AWEZNQCLSA-N 1 0 310.344 4.018 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450455153 1045508761 /nfs/dbraw/zinc/50/87/61/1045508761.db2.gz UCZBIDCOKASTTD-OIISXLGYSA-N 1 0 304.384 4.194 20 30 DIEDRO CC1(C)CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000121128198 1045514282 /nfs/dbraw/zinc/51/42/82/1045514282.db2.gz ISBWRSSDXVMAHT-UHFFFAOYSA-N 1 0 322.456 4.086 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC001120249334 1045535418 /nfs/dbraw/zinc/53/54/18/1045535418.db2.gz JOBOOSHRWQBYMZ-RHSMWYFYSA-N 1 0 319.399 4.122 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000796619455 1045549578 /nfs/dbraw/zinc/54/95/78/1045549578.db2.gz MZQGNKZLBJHBLU-OXQOHEQNSA-N 1 0 306.409 4.172 20 30 DIEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000450730152 1045554587 /nfs/dbraw/zinc/55/45/87/1045554587.db2.gz VPKBSIJHKOJFDG-CHWSQXEVSA-N 1 0 310.363 4.481 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000113960930 1045563386 /nfs/dbraw/zinc/56/33/86/1045563386.db2.gz JFCAXOPYFUQRMQ-CYBMUJFWSA-N 1 0 320.845 4.372 20 30 DIEDRO CCCCCCCC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750859233 1045563967 /nfs/dbraw/zinc/56/39/67/1045563967.db2.gz GUGJMCZRDXYKGU-UHFFFAOYSA-N 1 0 308.510 4.260 20 30 DIEDRO CCC[N@H+](Cc1cnc(C2CC2)s1)Cc1ccc(C#N)cc1 ZINC000119276513 1045579082 /nfs/dbraw/zinc/57/90/82/1045579082.db2.gz JENSLALRUQPLLN-UHFFFAOYSA-N 1 0 311.454 4.304 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000381908063 1045584918 /nfs/dbraw/zinc/58/49/18/1045584918.db2.gz XLIVHRWHUYVDOP-MQVJKMGUSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000381894782 1045585718 /nfs/dbraw/zinc/58/57/18/1045585718.db2.gz SJXNLZLFVYCXAO-UHFFFAOYSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1ccncc1 ZINC000800478360 1045625968 /nfs/dbraw/zinc/62/59/68/1045625968.db2.gz DYQFGEKECLASBL-HOJAQTOUSA-N 1 0 307.441 4.410 20 30 DIEDRO C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)c(F)c1 ZINC000800495173 1045631854 /nfs/dbraw/zinc/63/18/54/1045631854.db2.gz KQRIKUNCJJXSBO-APPDUMDISA-N 1 0 314.791 4.169 20 30 DIEDRO Cc1cc(Cl)nc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000800493545 1045632058 /nfs/dbraw/zinc/63/20/58/1045632058.db2.gz ZWJSEDMXTBDYMN-QGZVFWFLSA-N 1 0 311.816 4.082 20 30 DIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000190948870 1045633958 /nfs/dbraw/zinc/63/39/58/1045633958.db2.gz GCPOBGWDTNAXLR-AWEZNQCLSA-N 1 0 313.470 4.248 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000800524333 1045639344 /nfs/dbraw/zinc/63/93/44/1045639344.db2.gz GYKNHGWPQWDDTJ-LBPRGKRZSA-N 1 0 323.462 4.031 20 30 DIEDRO Cn1cc(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)cc1C#N ZINC000191102810 1045655681 /nfs/dbraw/zinc/65/56/81/1045655681.db2.gz ZYNFUYPQCYGGKN-SFHVURJKSA-N 1 0 321.449 4.032 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)ccc1F ZINC000451296699 1045660668 /nfs/dbraw/zinc/66/06/68/1045660668.db2.gz MUIRGHHWSNSKJR-WFASDCNBSA-N 1 0 314.326 4.298 20 30 DIEDRO CN(Cc1cccc(C#N)c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000530411976 1045660894 /nfs/dbraw/zinc/66/08/94/1045660894.db2.gz FSULWPKSUSPGEY-NRFANRHFSA-N 1 0 318.420 4.029 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1ccccc1 ZINC000800888199 1045661939 /nfs/dbraw/zinc/66/19/39/1045661939.db2.gz SRYAAWCWCDFAAX-GOSISDBHSA-N 1 0 321.449 4.003 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191223334 1045665880 /nfs/dbraw/zinc/66/58/80/1045665880.db2.gz LKCBPTWTBQPYCJ-CYBMUJFWSA-N 1 0 313.832 4.276 20 30 DIEDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000800990852 1045677672 /nfs/dbraw/zinc/67/76/72/1045677672.db2.gz SYNPALGGMMRNJV-GFCCVEGCSA-N 1 0 300.789 4.077 20 30 DIEDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC000451554727 1045697045 /nfs/dbraw/zinc/69/70/45/1045697045.db2.gz AECJKXFCXIHILJ-KKSFZXQISA-N 1 0 320.436 4.082 20 30 DIEDRO C#CC[C@H]([NH2+]C[C@H](OC)c1ccc(Cl)cc1)c1ccccc1 ZINC000801528205 1045731422 /nfs/dbraw/zinc/73/14/22/1045731422.db2.gz GFBFKWJGWZQKLM-OALUTQOASA-N 1 0 313.828 4.382 20 30 DIEDRO CCCC[N@H+](Cc1ccc(C#N)cc1C)Cc1ccccc1O ZINC000801596381 1045747851 /nfs/dbraw/zinc/74/78/51/1045747851.db2.gz XLZKKOMMJKPZBI-UHFFFAOYSA-N 1 0 308.425 4.375 20 30 DIEDRO CCCC[N@H+](Cc1ccc(OC)c(C#N)c1)Cc1ccccc1O ZINC000801594565 1045749322 /nfs/dbraw/zinc/74/93/22/1045749322.db2.gz GCLAUAGCSALJQU-UHFFFAOYSA-N 1 0 324.424 4.075 20 30 DIEDRO CCCC[N@H+](Cc1ccccc1O)Cc1cc(C#N)ccc1OC ZINC000801599424 1045751255 /nfs/dbraw/zinc/75/12/55/1045751255.db2.gz NKOVOVKPEQMLQF-UHFFFAOYSA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CCC(F)(F)F)c1 ZINC000753565793 1045762494 /nfs/dbraw/zinc/76/24/94/1045762494.db2.gz KKYFMJISCDXFMQ-TZMCWYRMSA-N 1 0 314.351 4.188 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CCC(F)(F)F)c1 ZINC000753565791 1045762656 /nfs/dbraw/zinc/76/26/56/1045762656.db2.gz KKYFMJISCDXFMQ-OCCSQVGLSA-N 1 0 314.351 4.188 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cc1F ZINC000192100987 1045779779 /nfs/dbraw/zinc/77/97/79/1045779779.db2.gz MXFQFPJUBARJAO-LJQANCHMSA-N 1 0 312.363 4.467 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(C#N)c(F)c1 ZINC000192216264 1045794528 /nfs/dbraw/zinc/79/45/28/1045794528.db2.gz KZXLKUZJZMIYLM-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](C)Cc2ccccc2)c1 ZINC000753964344 1045823189 /nfs/dbraw/zinc/82/31/89/1045823189.db2.gz DECCNEULUZAAOF-FXAWDEMLSA-N 1 0 322.452 4.336 20 30 DIEDRO C[C@H](C#N)OCC[N@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000801918497 1045834617 /nfs/dbraw/zinc/83/46/17/1045834617.db2.gz PHVTVQKBERVHKN-CVEARBPZSA-N 1 0 308.425 4.294 20 30 DIEDRO C[C@@H](C#N)OCC[N@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000801916403 1045835628 /nfs/dbraw/zinc/83/56/28/1045835628.db2.gz XJMSLIONZXVETH-HOTGVXAUSA-N 1 0 314.454 4.240 20 30 DIEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000801923627 1045843159 /nfs/dbraw/zinc/84/31/59/1045843159.db2.gz LQTKAKZZRQWQEV-IRXDYDNUSA-N 1 0 308.425 4.275 20 30 DIEDRO C[C@H](C#N)OCC[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000801932393 1045849584 /nfs/dbraw/zinc/84/95/84/1045849584.db2.gz ZCDOFTMKXQOREJ-CQSZACIVSA-N 1 0 306.837 4.018 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000754125634 1045850143 /nfs/dbraw/zinc/85/01/43/1045850143.db2.gz XTWZDAVDSQXDNQ-CHWSQXEVSA-N 1 0 306.837 4.157 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000801940354 1045853621 /nfs/dbraw/zinc/85/36/21/1045853621.db2.gz WDJNHTIWNDIHJU-GUYCJALGSA-N 1 0 306.837 4.090 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000801937766 1045853728 /nfs/dbraw/zinc/85/37/28/1045853728.db2.gz VZXWASBJPINVAJ-HZPDHXFCSA-N 1 0 310.397 4.058 20 30 DIEDRO CCC[C@@H]([NH2+]CCO[C@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC000801937039 1045853847 /nfs/dbraw/zinc/85/38/47/1045853847.db2.gz CCRDLIKQIOXVQN-IUODEOHRSA-N 1 0 314.351 4.065 20 30 DIEDRO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000754155024 1045856539 /nfs/dbraw/zinc/85/65/39/1045856539.db2.gz UGFWIUQTQHNRJK-HNNXBMFYSA-N 1 0 312.388 4.057 20 30 DIEDRO C[C@@H](C#N)OCC[N@H+](C)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801953933 1045858405 /nfs/dbraw/zinc/85/84/05/1045858405.db2.gz YYZKZQNYSWNPDB-KSSFIOAISA-N 1 0 320.864 4.432 20 30 DIEDRO C#CCC[NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801954672 1045859233 /nfs/dbraw/zinc/85/92/33/1045859233.db2.gz HPDFRPQDLIVINO-DLBZAZTESA-N 1 0 322.855 4.006 20 30 DIEDRO CC(C)C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000754295889 1045869723 /nfs/dbraw/zinc/86/97/23/1045869723.db2.gz JLABPRGVIKWESC-SJORKVTESA-N 1 0 314.454 4.030 20 30 DIEDRO Cc1cc(C[NH2+]CCSCc2ccccc2C#N)c(C)s1 ZINC000531603001 1045876706 /nfs/dbraw/zinc/87/67/06/1045876706.db2.gz AEXBPWLKABQIBT-UHFFFAOYSA-N 1 0 316.495 4.260 20 30 DIEDRO C#CCC[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000754770345 1045925880 /nfs/dbraw/zinc/92/58/80/1045925880.db2.gz YHEOFESBJZRFBJ-LLVKDONJSA-N 1 0 304.846 4.446 20 30 DIEDRO N#CCOc1ccc(C[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC000192710128 1045926302 /nfs/dbraw/zinc/92/63/02/1045926302.db2.gz IFCCPMHNKKTGOK-UHFFFAOYSA-N 1 0 320.436 4.405 20 30 DIEDRO COc1cccc(C[C@@H]([NH2+]CC2(C#N)CCC2)c2ccccc2)c1 ZINC000828704962 1045927928 /nfs/dbraw/zinc/92/79/28/1045927928.db2.gz VXWNKVJDKHZJRT-HXUWFJFHSA-N 1 0 320.436 4.262 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001258228733 1045940752 /nfs/dbraw/zinc/94/07/52/1045940752.db2.gz JWMVJQIWSDGWPT-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000755041759 1045947154 /nfs/dbraw/zinc/94/71/54/1045947154.db2.gz TVHASLHVALYDMZ-AWEZNQCLSA-N 1 0 317.433 4.366 20 30 DIEDRO CCCCCCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000755075075 1045951010 /nfs/dbraw/zinc/95/10/10/1045951010.db2.gz LUIMPVSFUNJLLA-GOSISDBHSA-N 1 0 323.525 4.007 20 30 DIEDRO C[C@H]([NH2+]CC1CC(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000802308698 1045951787 /nfs/dbraw/zinc/95/17/87/1045951787.db2.gz HDNAABWSFXIBCA-VXESANQCSA-N 1 0 320.436 4.433 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000531802334 1045954454 /nfs/dbraw/zinc/95/44/54/1045954454.db2.gz XLUHYLNAHKYUTA-UHFFFAOYSA-N 1 0 306.384 4.377 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)ccc2NC)c1 ZINC000902244761 1045956009 /nfs/dbraw/zinc/95/60/09/1045956009.db2.gz YGTSRYLLTBTRKS-GOSISDBHSA-N 1 0 323.440 4.008 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC001137759535 1045958984 /nfs/dbraw/zinc/95/89/84/1045958984.db2.gz ZUGBDOOTMLIPTR-UHFFFAOYSA-N 1 0 317.436 4.451 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000193005965 1045960974 /nfs/dbraw/zinc/96/09/74/1045960974.db2.gz RYQPOVHXAZKFNZ-INIZCTEOSA-N 1 0 324.424 4.227 20 30 DIEDRO COCC(C)(C)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000755198621 1045962450 /nfs/dbraw/zinc/96/24/50/1045962450.db2.gz HINPWUYVIUVIAF-UHFFFAOYSA-N 1 0 314.454 4.049 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(C3CCC3)cc2)cc1C#N ZINC000755224039 1045964023 /nfs/dbraw/zinc/96/40/23/1045964023.db2.gz XVFBEXMZVAQPGC-UHFFFAOYSA-N 1 0 306.409 4.124 20 30 DIEDRO Cc1cccc(C)c1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001137854513 1045985326 /nfs/dbraw/zinc/98/53/26/1045985326.db2.gz ZWTIXRGCQWRUMW-UHFFFAOYSA-N 1 0 322.427 4.500 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(-c2ccccc2)nn1C ZINC000453218463 1045987948 /nfs/dbraw/zinc/98/79/48/1045987948.db2.gz IJBUMVPKFCCWFA-HNNXBMFYSA-N 1 0 310.445 4.068 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(C#N)cc1 ZINC000453223771 1045993016 /nfs/dbraw/zinc/99/30/16/1045993016.db2.gz SQPYZRWWKHIPKN-WMZOPIPTSA-N 1 0 308.450 4.488 20 30 DIEDRO Cc1ccc(N(C)c2ccc(C[NH+]3CC(CC#N)C3)cc2)cc1 ZINC001137895353 1046001486 /nfs/dbraw/zinc/00/14/86/1046001486.db2.gz XJUSQKOIBYJJJJ-UHFFFAOYSA-N 1 0 305.425 4.108 20 30 DIEDRO CSCC1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000453272151 1046003639 /nfs/dbraw/zinc/00/36/39/1046003639.db2.gz SECKXDSORFXNOD-PVCYVWKFSA-N 1 0 300.471 4.057 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC3(CC3)C2)cc1 ZINC001137899799 1046005572 /nfs/dbraw/zinc/00/55/72/1046005572.db2.gz GSBPMKHAGJKUPL-UHFFFAOYSA-N 1 0 317.436 4.312 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000453329535 1046023881 /nfs/dbraw/zinc/02/38/81/1046023881.db2.gz ANUAOTIEEGCXAD-BNOWGMLFSA-N 1 0 308.491 4.133 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000802657386 1046026461 /nfs/dbraw/zinc/02/64/61/1046026461.db2.gz ZFQNZXNTIPFUGG-OXJNMPFZSA-N 1 0 324.399 4.048 20 30 DIEDRO CNc1ccc(C)cc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000902600082 1046032643 /nfs/dbraw/zinc/03/26/43/1046032643.db2.gz BTVKZJAYLKPTLD-FQEVSTJZSA-N 1 0 305.425 4.076 20 30 DIEDRO CNc1ccc(C)cc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000902600084 1046032847 /nfs/dbraw/zinc/03/28/47/1046032847.db2.gz BTVKZJAYLKPTLD-HXUWFJFHSA-N 1 0 305.425 4.076 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453340037 1046043917 /nfs/dbraw/zinc/04/39/17/1046043917.db2.gz BPYKXLKVWOOANK-AUUYWEPGSA-N 1 0 323.415 4.319 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)cc1C#N ZINC000756044443 1046043864 /nfs/dbraw/zinc/04/38/64/1046043864.db2.gz ZOJKVIMEBMTROW-CQSZACIVSA-N 1 0 320.392 4.472 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1 ZINC000902720979 1046049688 /nfs/dbraw/zinc/04/96/88/1046049688.db2.gz RSJPZQLDZCMBPG-RTBURBONSA-N 1 0 323.440 4.029 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1cccc(C#N)c1 ZINC000902728190 1046051261 /nfs/dbraw/zinc/05/12/61/1046051261.db2.gz NDWZBYYJEPRRJN-LIRRHRJNSA-N 1 0 324.424 4.377 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1cc(C#N)ccn1 ZINC000902728267 1046051519 /nfs/dbraw/zinc/05/15/19/1046051519.db2.gz OZHUOFGPNHRZLS-LSDHHAIUSA-N 1 0 305.425 4.244 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)s1 ZINC000902741414 1046057120 /nfs/dbraw/zinc/05/71/20/1046057120.db2.gz QPXUMUNXCRUUTF-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902750148 1046058121 /nfs/dbraw/zinc/05/81/21/1046058121.db2.gz AWQSBYMPQUSVFC-HUUCEWRRSA-N 1 0 309.413 4.152 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453387988 1046062250 /nfs/dbraw/zinc/06/22/50/1046062250.db2.gz QKBWEFGMFAZWSK-NSHDSACASA-N 1 0 317.433 4.437 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000902765974 1046064077 /nfs/dbraw/zinc/06/40/77/1046064077.db2.gz DHDJLYRIMVLXIM-SCLBCKFNSA-N 1 0 309.369 4.268 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](C)c2sc(CCOC)nc2C)CCCC1 ZINC000453364533 1046066103 /nfs/dbraw/zinc/06/61/03/1046066103.db2.gz LIKCFULYKBRWFP-AWEZNQCLSA-N 1 0 322.518 4.428 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH+]2CCC(Cc3cccc(F)c3F)CC2)C1 ZINC000453372001 1046071135 /nfs/dbraw/zinc/07/11/35/1046071135.db2.gz RVWCWJBPEYXPJB-WBVHZDCISA-N 1 0 318.411 4.302 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902808304 1046074035 /nfs/dbraw/zinc/07/40/35/1046074035.db2.gz ICFSZSGAYYLTEG-SNRMKQJTSA-N 1 0 305.425 4.015 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000453379540 1046074969 /nfs/dbraw/zinc/07/49/69/1046074969.db2.gz YTUXEHGOYAFEKT-TZMCWYRMSA-N 1 0 315.429 4.022 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)C1 ZINC000453379055 1046076166 /nfs/dbraw/zinc/07/61/66/1046076166.db2.gz QIIHLJWFZCTFIX-DNVCBOLYSA-N 1 0 318.411 4.302 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000193872233 1046077539 /nfs/dbraw/zinc/07/75/39/1046077539.db2.gz HLUKIBIFTLTJRQ-QVKFZJNVSA-N 1 0 316.404 4.096 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902823815 1046078070 /nfs/dbraw/zinc/07/80/70/1046078070.db2.gz AECTZNGXHYIIBJ-RDTXWAMCSA-N 1 0 311.404 4.010 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc2ccccc2c1O ZINC000193871387 1046078908 /nfs/dbraw/zinc/07/89/08/1046078908.db2.gz FRPYZQGHZSPVDR-CQSZACIVSA-N 1 0 302.377 4.268 20 30 DIEDRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000193904484 1046079603 /nfs/dbraw/zinc/07/96/03/1046079603.db2.gz PMMZYHCONBBVBV-IRXDYDNUSA-N 1 0 308.425 4.179 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cn1 ZINC000902826652 1046079782 /nfs/dbraw/zinc/07/97/82/1046079782.db2.gz HICDZCYQBVAPHB-NWDGAFQWSA-N 1 0 319.330 4.384 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)c1cccc(C#N)c1 ZINC000902826647 1046081104 /nfs/dbraw/zinc/08/11/04/1046081104.db2.gz HGPWPPXRUWTYIM-CWFSZBLJSA-N 1 0 312.457 4.194 20 30 DIEDRO C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)c1cc(C#N)ccn1 ZINC000902835935 1046081938 /nfs/dbraw/zinc/08/19/38/1046081938.db2.gz SHTDSLOSFIPFPD-NQCMUKECSA-N 1 0 309.388 4.067 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccc(C#N)cc1 ZINC000756459745 1046083992 /nfs/dbraw/zinc/08/39/92/1046083992.db2.gz WXCCQPBXHISQBL-XHBSWPGZSA-N 1 0 310.372 4.302 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2OC)c1cccc(C#N)c1 ZINC000902842534 1046084862 /nfs/dbraw/zinc/08/48/62/1046084862.db2.gz XDXXYAHSKWGELW-MOPGFXCFSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)c1cccc(C#N)c1 ZINC000902842647 1046085004 /nfs/dbraw/zinc/08/50/04/1046085004.db2.gz ZMOCSLFJRJCFTK-CZAAIQMYSA-N 1 0 322.452 4.154 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1cccs1)c1cccc(C#N)c1 ZINC000902848633 1046085586 /nfs/dbraw/zinc/08/55/86/1046085586.db2.gz UVCRRSPDYJJDRC-COXVUDFISA-N 1 0 314.454 4.173 20 30 DIEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000532068116 1046090719 /nfs/dbraw/zinc/09/07/19/1046090719.db2.gz VVBCOJAQIKKLLQ-SFHVURJKSA-N 1 0 300.446 4.428 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)CC(C)(C)C)cc1OCCCC#N ZINC000453605461 1046097564 /nfs/dbraw/zinc/09/75/64/1046097564.db2.gz SKCJNXNQUFOTJQ-OAHLLOKOSA-N 1 0 318.461 4.292 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1cccc(C#N)c1 ZINC000902876151 1046097957 /nfs/dbraw/zinc/09/79/57/1046097957.db2.gz SPYUAGXVAIIUMZ-CEXWTWQISA-N 1 0 300.446 4.050 20 30 DIEDRO C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1cc(C#N)ccn1 ZINC000902874422 1046098520 /nfs/dbraw/zinc/09/85/20/1046098520.db2.gz FQBKFHULBRKAIC-QWRGUYRKSA-N 1 0 303.768 4.158 20 30 DIEDRO Cc1cc([C@@H]([NH2+][C@H](C)c2cc(C#N)ccn2)C2CC2)ccc1F ZINC000902889885 1046102641 /nfs/dbraw/zinc/10/26/41/1046102641.db2.gz SBETWJRBKHQZED-YJYMSZOUSA-N 1 0 309.388 4.203 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccncc1 ZINC000756582939 1046104051 /nfs/dbraw/zinc/10/40/51/1046104051.db2.gz LMHBTXQHKKARMK-RCBQFDQVSA-N 1 0 312.388 4.382 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCOc2ccc3ccccc3c2)cc1 ZINC000532139613 1046104894 /nfs/dbraw/zinc/10/48/94/1046104894.db2.gz OOPNOMCRPPJLDT-UHFFFAOYSA-N 1 0 316.404 4.270 20 30 DIEDRO CC[C@@H]([NH2+][C@H](CCOC)c1ccc(C)o1)c1cccc(C#N)c1 ZINC000902943276 1046119122 /nfs/dbraw/zinc/11/91/22/1046119122.db2.gz XRCJFDOHWOZWFJ-QZTJIDSGSA-N 1 0 312.413 4.278 20 30 DIEDRO Cc1ccc([C@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CCC2)o1 ZINC000756688270 1046121344 /nfs/dbraw/zinc/12/13/44/1046121344.db2.gz ZMRFHYDRHVGCQY-LJQANCHMSA-N 1 0 310.397 4.121 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000756708715 1046121986 /nfs/dbraw/zinc/12/19/86/1046121986.db2.gz HMSMQCJDQPCPNX-WBVHZDCISA-N 1 0 324.424 4.232 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2c(cc1O)CCCC2 ZINC000756731866 1046124196 /nfs/dbraw/zinc/12/41/96/1046124196.db2.gz JLTZDCKUIWJVES-ZDUSSCGKSA-N 1 0 324.399 4.133 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cn(C(C)C)nc21)c1cccc(C#N)c1 ZINC000902953423 1046124463 /nfs/dbraw/zinc/12/44/63/1046124463.db2.gz DTHQALKKNZSARF-RBUKOAKNSA-N 1 0 322.456 4.454 20 30 DIEDRO N#C[C@H]1CCCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001138250548 1046126787 /nfs/dbraw/zinc/12/67/87/1046126787.db2.gz GMJBNPRZXHMPBX-GOSISDBHSA-N 1 0 324.399 4.140 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC001138251634 1046130191 /nfs/dbraw/zinc/13/01/91/1046130191.db2.gz SYTNAMVVTLDQOA-UHFFFAOYSA-N 1 0 323.411 4.250 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1 ZINC000902965963 1046130791 /nfs/dbraw/zinc/13/07/91/1046130791.db2.gz BDKQXMIVJVFLBO-MSOLQXFVSA-N 1 0 310.372 4.262 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1F ZINC000195733022 1046134050 /nfs/dbraw/zinc/13/40/50/1046134050.db2.gz YXDRWVWUKUTVEY-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902981255 1046135039 /nfs/dbraw/zinc/13/50/39/1046135039.db2.gz KBDBZXVPSVXJFV-PNESKVBLSA-N 1 0 311.351 4.081 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)c1cc(C#N)ccn1 ZINC000902979061 1046135332 /nfs/dbraw/zinc/13/53/32/1046135332.db2.gz OGANTAJQWDQCMB-OWQGQXMQSA-N 1 0 309.388 4.079 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@]1(C)CCCCO1 ZINC000902980727 1046135560 /nfs/dbraw/zinc/13/55/60/1046135560.db2.gz BLLRLPOEXVJVOH-GMNCBBECSA-N 1 0 304.478 4.200 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cc(C#N)ccn1 ZINC000902978410 1046135799 /nfs/dbraw/zinc/13/57/99/1046135799.db2.gz FKLIRAIUDMAQAL-NUTKFTJISA-N 1 0 311.816 4.203 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cc(C#N)ccn1 ZINC000902976890 1046135924 /nfs/dbraw/zinc/13/59/24/1046135924.db2.gz WIPBFMLWVPMWRX-XCRHUMRWSA-N 1 0 309.388 4.079 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cc(C#N)ccn1 ZINC000902978841 1046136046 /nfs/dbraw/zinc/13/60/46/1046136046.db2.gz KZCWLZQMQZUXBM-SRCQZFHVSA-N 1 0 311.816 4.203 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000903006501 1046138732 /nfs/dbraw/zinc/13/87/32/1046138732.db2.gz JPYFJQMZGXMLOS-HNNXBMFYSA-N 1 0 319.330 4.213 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2cccnc2)C1 ZINC000903006117 1046139301 /nfs/dbraw/zinc/13/93/01/1046139301.db2.gz DCLDSGOMHJDEJC-SESVDKBCSA-N 1 0 319.452 4.427 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C(C)C)C1)c1cccc(C#N)c1 ZINC000903008516 1046140990 /nfs/dbraw/zinc/14/09/90/1046140990.db2.gz PYKXZDIMJRMXAT-NEWSRXKRSA-N 1 0 300.446 4.050 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C(C)C)C1)c1cccc(C#N)c1 ZINC000903008518 1046141680 /nfs/dbraw/zinc/14/16/80/1046141680.db2.gz PYKXZDIMJRMXAT-WDSOQIARSA-N 1 0 300.446 4.050 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000756837052 1046142947 /nfs/dbraw/zinc/14/29/47/1046142947.db2.gz FKDBJUHWJRKAER-FZMZJTMJSA-N 1 0 321.770 4.034 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@@H](CCc1ccccc1)c1cccnc1 ZINC000903015691 1046143005 /nfs/dbraw/zinc/14/30/05/1046143005.db2.gz ANYGQYHRRGJXRM-IBGZPJMESA-N 1 0 307.441 4.285 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(Cl)c2)CCC1)c1cc(C#N)ccn1 ZINC000903037412 1046145401 /nfs/dbraw/zinc/14/54/01/1046145401.db2.gz JZXUICOZOIFVLS-ZDUSSCGKSA-N 1 0 311.816 4.337 20 30 DIEDRO C=CCCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000756899454 1046148961 /nfs/dbraw/zinc/14/89/61/1046148961.db2.gz HAWUFXKJSQQVAO-SFHVURJKSA-N 1 0 301.455 4.250 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC1SCCS1)[C@@]1(C)CCCCO1 ZINC000903056692 1046151171 /nfs/dbraw/zinc/15/11/71/1046151171.db2.gz RFWQWAAINZYNCI-GDBMZVCRSA-N 1 0 315.548 4.066 20 30 DIEDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336695 1046153129 /nfs/dbraw/zinc/15/31/29/1046153129.db2.gz WHFSTIJPBRLLTN-JOCHJYFZSA-N 1 0 319.448 4.087 20 30 DIEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)[C@@H](C)C1 ZINC001138336044 1046153294 /nfs/dbraw/zinc/15/32/94/1046153294.db2.gz IMJUPWFRTDMTHK-PGRDOPGGSA-N 1 0 319.448 4.086 20 30 DIEDRO CC[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cccc(C#N)c1 ZINC000903076901 1046156468 /nfs/dbraw/zinc/15/64/68/1046156468.db2.gz CZLGCTDZAYJYLB-MOPGFXCFSA-N 1 0 312.457 4.338 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)c1cc(C#N)ccn1 ZINC000903073912 1046156867 /nfs/dbraw/zinc/15/68/67/1046156867.db2.gz SAHVOQQKIHSPLQ-YVEFUNNKSA-N 1 0 311.816 4.335 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccccc1 ZINC000756996323 1046157100 /nfs/dbraw/zinc/15/71/00/1046157100.db2.gz QBBQDCMQWWZPBS-QGZVFWFLSA-N 1 0 314.226 4.303 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000756996733 1046157835 /nfs/dbraw/zinc/15/78/35/1046157835.db2.gz RCKGBKKCUTUGMG-MRXNPFEDSA-N 1 0 314.772 4.102 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000903079610 1046159010 /nfs/dbraw/zinc/15/90/10/1046159010.db2.gz FYOPWNFMFYWBSB-QGZVFWFLSA-N 1 0 309.369 4.016 20 30 DIEDRO N#CCCCC[NH2+][C@H](c1ccccc1F)c1ccc(F)cc1F ZINC000903088336 1046161778 /nfs/dbraw/zinc/16/17/78/1046161778.db2.gz JFEJGQRVONBPHF-GOSISDBHSA-N 1 0 318.342 4.477 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000475705931 1046163389 /nfs/dbraw/zinc/16/33/89/1046163389.db2.gz VKEAGHMRCDVSSZ-CYBMUJFWSA-N 1 0 324.355 4.173 20 30 DIEDRO N#CC1(C[NH2+][C@H](CCc2cccnc2)c2ccccc2)CCCC1 ZINC000903109335 1046167382 /nfs/dbraw/zinc/16/73/82/1046167382.db2.gz NYTAHJBQMCPDAT-HXUWFJFHSA-N 1 0 319.452 4.429 20 30 DIEDRO N#CC1(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CCCC1 ZINC000903109615 1046167827 /nfs/dbraw/zinc/16/78/27/1046167827.db2.gz SSEWEHHWXPKUCG-INIZCTEOSA-N 1 0 311.454 4.100 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000903119500 1046168221 /nfs/dbraw/zinc/16/82/21/1046168221.db2.gz KXMDGMPQLABNPK-FXAWDEMLSA-N 1 0 321.424 4.003 20 30 DIEDRO C=CCC[C@H]([NH2+]CC1(OC)CCOCC1)c1cccc(Cl)c1 ZINC000903126754 1046169494 /nfs/dbraw/zinc/16/94/94/1046169494.db2.gz VFPSTTHDBKMOQR-KRWDZBQOSA-N 1 0 323.864 4.133 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cccc(COC(C)=O)c1)c1ccccc1 ZINC000903131158 1046170354 /nfs/dbraw/zinc/17/03/54/1046170354.db2.gz QXYIUQHFZOONKV-IIBYNOLFSA-N 1 0 321.420 4.165 20 30 DIEDRO CSC1CCC(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000903156350 1046178714 /nfs/dbraw/zinc/17/87/14/1046178714.db2.gz HYTGQACPGRACOY-SYJJWHGVSA-N 1 0 318.486 4.161 20 30 DIEDRO CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001138443370 1046182767 /nfs/dbraw/zinc/18/27/67/1046182767.db2.gz AGZSDVMCTDQYNQ-MRXNPFEDSA-N 1 0 308.425 4.364 20 30 DIEDRO CC[C@H]([NH2+]Cc1nccc2c1CCCC2)c1cccc(C#N)c1 ZINC000903182783 1046184811 /nfs/dbraw/zinc/18/48/11/1046184811.db2.gz UVVVDKVPTVDOCS-IBGZPJMESA-N 1 0 305.425 4.073 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903216544 1046196407 /nfs/dbraw/zinc/19/64/07/1046196407.db2.gz CVZKWMARGSVOMB-WRWLIDTKSA-N 1 0 315.432 4.075 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(Cl)c1 ZINC000903216779 1046196476 /nfs/dbraw/zinc/19/64/76/1046196476.db2.gz ILNDUKTWNGIIDJ-PBHICJAKSA-N 1 0 321.848 4.280 20 30 DIEDRO Cc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)C2CCCC2)cc1 ZINC000903262315 1046211532 /nfs/dbraw/zinc/21/15/32/1046211532.db2.gz DBMKXMJUJJVDAD-GOSISDBHSA-N 1 0 311.454 4.344 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000903286616 1046224704 /nfs/dbraw/zinc/22/47/04/1046224704.db2.gz CSHMEFJPEVGCRX-FZKQIMNGSA-N 1 0 309.369 4.268 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC001138559062 1046224824 /nfs/dbraw/zinc/22/48/24/1046224824.db2.gz NOUSDJDKLHNOSF-FQEVSTJZSA-N 1 0 309.384 4.175 20 30 DIEDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000757907706 1046225571 /nfs/dbraw/zinc/22/55/71/1046225571.db2.gz WTESYTGFYWVUGV-UHFFFAOYSA-N 1 0 321.468 4.352 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)C1 ZINC000903297738 1046228724 /nfs/dbraw/zinc/22/87/24/1046228724.db2.gz JMZVFBJVGNAMBC-UTKZUKDTSA-N 1 0 319.452 4.390 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(CCC#N)cc2)C1 ZINC000903297735 1046228988 /nfs/dbraw/zinc/22/89/88/1046228988.db2.gz JMZVFBJVGNAMBC-DYESRHJHSA-N 1 0 319.452 4.390 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000245501450 1046237594 /nfs/dbraw/zinc/23/75/94/1046237594.db2.gz CUCRLNYSVLDOHP-XLIONFOSSA-N 1 0 320.436 4.185 20 30 DIEDRO C=CCC[C@H](Cc1ccccc1)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000903324758 1046238437 /nfs/dbraw/zinc/23/84/37/1046238437.db2.gz QYLXHKNCNZLMCS-MOPGFXCFSA-N 1 0 307.441 4.095 20 30 DIEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000903324759 1046239992 /nfs/dbraw/zinc/23/99/92/1046239992.db2.gz QYLXHKNCNZLMCS-OALUTQOASA-N 1 0 307.441 4.095 20 30 DIEDRO COc1ccc(-c2cccc(CN3CC[C@@](C)(C#N)C3)c2)cc1 ZINC001138617984 1046244961 /nfs/dbraw/zinc/24/49/61/1046244961.db2.gz PEQZNTHAMYKZSG-FQEVSTJZSA-N 1 0 306.409 4.098 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1O ZINC001138627613 1046245676 /nfs/dbraw/zinc/24/56/76/1046245676.db2.gz BYMLSLUDXVXBFA-QGZVFWFLSA-N 1 0 311.400 4.249 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1O ZINC001138628199 1046246016 /nfs/dbraw/zinc/24/60/16/1046246016.db2.gz QJFDTCFBQAQDHN-KRWDZBQOSA-N 1 0 311.400 4.249 20 30 DIEDRO C=CCc1cccc(C[N@H+](C)Cc2ccccc2Cl)c1O ZINC001138628986 1046246959 /nfs/dbraw/zinc/24/69/59/1046246959.db2.gz KCLOXBYNHSIYPT-UHFFFAOYSA-N 1 0 301.817 4.406 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CCCc3ccc(OC)cc3C2)c1O ZINC001138631511 1046250288 /nfs/dbraw/zinc/25/02/88/1046250288.db2.gz UNICVZYTYLFWJQ-UHFFFAOYSA-N 1 0 323.436 4.078 20 30 DIEDRO C=C(C)COc1ccccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC001138666047 1046259446 /nfs/dbraw/zinc/25/94/46/1046259446.db2.gz GOVWNMRVTLFORO-UHFFFAOYSA-N 1 0 322.452 4.416 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+](C)Cc1ccc(OC)cc1 ZINC001138661883 1046260378 /nfs/dbraw/zinc/26/03/78/1046260378.db2.gz IAYUNHCWXMUPOJ-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001138664293 1046260719 /nfs/dbraw/zinc/26/07/19/1046260719.db2.gz MBLYIGMOMXCHSI-OAHLLOKOSA-N 1 0 313.363 4.416 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cc1 ZINC000245718275 1046261723 /nfs/dbraw/zinc/26/17/23/1046261723.db2.gz HMLQTPBKZKFWDP-QKLQHJQFSA-N 1 0 320.436 4.355 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cc1 ZINC000245718261 1046262898 /nfs/dbraw/zinc/26/28/98/1046262898.db2.gz HMLQTPBKZKFWDP-HLIPFELVSA-N 1 0 320.436 4.355 20 30 DIEDRO CCS[C@H]1CCCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245740540 1046263836 /nfs/dbraw/zinc/26/38/36/1046263836.db2.gz LQGBCRZPOXWFAR-QAPCUYQASA-N 1 0 318.486 4.085 20 30 DIEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000795330530 1046267599 /nfs/dbraw/zinc/26/75/99/1046267599.db2.gz AKEXRSNDTCNWNL-DOTOQJQBSA-N 1 0 310.441 4.257 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000666238511 1046267622 /nfs/dbraw/zinc/26/76/22/1046267622.db2.gz CRXSWPDASCJEEZ-YOEHRIQHSA-N 1 0 322.408 4.371 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C)cc1 ZINC000245803189 1046271308 /nfs/dbraw/zinc/27/13/08/1046271308.db2.gz YCWQFSZKCALWQU-HZPDHXFCSA-N 1 0 306.409 4.097 20 30 DIEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000758517940 1046275449 /nfs/dbraw/zinc/27/54/49/1046275449.db2.gz LTLRYMLDCBBSBZ-WDYCEAGBSA-N 1 0 300.446 4.139 20 30 DIEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000758517939 1046276530 /nfs/dbraw/zinc/27/65/30/1046276530.db2.gz LTLRYMLDCBBSBZ-SUMDDJOVSA-N 1 0 300.446 4.139 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903429451 1046278615 /nfs/dbraw/zinc/27/86/15/1046278615.db2.gz UGNRDIIFFOZSFM-WOJBJXKFSA-N 1 0 303.409 4.072 20 30 DIEDRO COc1cc(C)c(C[N@H+](C)Cc2cccc(C#N)c2)c(C)c1C ZINC001138727242 1046279193 /nfs/dbraw/zinc/27/91/93/1046279193.db2.gz MHAKVZKFEAYVTB-UHFFFAOYSA-N 1 0 308.425 4.124 20 30 DIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000245963564 1046290109 /nfs/dbraw/zinc/29/01/09/1046290109.db2.gz DBWRIYVZAOMCNN-NHCUHLMSSA-N 1 0 320.436 4.209 20 30 DIEDRO Cc1ccc2cc(CN3CCC[C@@H](C#N)CC3)c(Cl)nc2c1 ZINC001138862985 1046312686 /nfs/dbraw/zinc/31/26/86/1046312686.db2.gz WQFDJPHCJHWZBS-CQSZACIVSA-N 1 0 313.832 4.322 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)ccc1OC ZINC000246206492 1046327673 /nfs/dbraw/zinc/32/76/73/1046327673.db2.gz PARNWYAEJFKXAZ-HYVNUMGLSA-N 1 0 316.445 4.044 20 30 DIEDRO CCCCOc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001138954718 1046336864 /nfs/dbraw/zinc/33/68/64/1046336864.db2.gz ZFYUTFCBVHORHG-UHFFFAOYSA-N 1 0 308.425 4.369 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000748270735 1046361620 /nfs/dbraw/zinc/36/16/20/1046361620.db2.gz WWQYFPZIAPDCHM-PXNSSMCTSA-N 1 0 324.399 4.284 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001139029820 1046363547 /nfs/dbraw/zinc/36/35/47/1046363547.db2.gz QEVKPXKBESVAOE-HXUWFJFHSA-N 1 0 323.436 4.043 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001139029693 1046364669 /nfs/dbraw/zinc/36/46/69/1046364669.db2.gz HEZGLSLLHMCCBJ-FQEVSTJZSA-N 1 0 323.436 4.043 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001139029819 1046365583 /nfs/dbraw/zinc/36/55/83/1046365583.db2.gz QEVKPXKBESVAOE-FQEVSTJZSA-N 1 0 323.436 4.043 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1 ZINC000104076399 1046370168 /nfs/dbraw/zinc/37/01/68/1046370168.db2.gz VWGUXRWVMRVMCG-UHFFFAOYSA-N 1 0 312.363 4.396 20 30 DIEDRO CC(C)(CC(F)(F)F)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000614822386 1046393422 /nfs/dbraw/zinc/39/34/22/1046393422.db2.gz IOCRBIFUVMTKBO-UHFFFAOYSA-N 1 0 314.351 4.190 20 30 DIEDRO CCCCCCOc1cccc(C[NH2+]Cc2ccc(C#N)cn2)c1 ZINC000780557685 1046393741 /nfs/dbraw/zinc/39/37/41/1046393741.db2.gz AKCSFNZDMOLOJX-UHFFFAOYSA-N 1 0 323.440 4.202 20 30 DIEDRO CCn1ccc2c1cccc2C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001139153992 1046396363 /nfs/dbraw/zinc/39/63/63/1046396363.db2.gz YSBJIMNNRGBGRC-UHFFFAOYSA-N 1 0 315.420 4.091 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000780729532 1046399892 /nfs/dbraw/zinc/39/98/92/1046399892.db2.gz XUEIWRHMKBZBCJ-MISYRCLQSA-N 1 0 312.457 4.426 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000780745248 1046402194 /nfs/dbraw/zinc/40/21/94/1046402194.db2.gz HTKYZFLCZFZTJH-MEBBXXQBSA-N 1 0 315.417 4.191 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1 ZINC000748801914 1046408029 /nfs/dbraw/zinc/40/80/29/1046408029.db2.gz BOHJUBRVZCZNCG-UHFFFAOYSA-N 1 0 313.832 4.265 20 30 DIEDRO COc1ccc(-c2ccc(CN3CC[C@@](C)(C#N)C3)s2)cc1 ZINC001139289113 1046425960 /nfs/dbraw/zinc/42/59/60/1046425960.db2.gz GECQVLXGGQEEKL-SFHVURJKSA-N 1 0 312.438 4.159 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)c2c(C)noc2C)cc1 ZINC000090887369 1046427328 /nfs/dbraw/zinc/42/73/28/1046427328.db2.gz WSLLHWGGZOSYNG-ACJLOTCBSA-N 1 0 312.413 4.105 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)cc1 ZINC000749110726 1046428790 /nfs/dbraw/zinc/42/87/90/1046428790.db2.gz OWQKGHAZMLXAEY-IIDMSEBBSA-N 1 0 300.446 4.282 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639863373 1046432239 /nfs/dbraw/zinc/43/22/39/1046432239.db2.gz HUFDPJMYAFRUAP-NMWPEEMBSA-N 1 0 315.379 4.107 20 30 DIEDRO CC1CCC([NH+]2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001168225146 1046433011 /nfs/dbraw/zinc/43/30/11/1046433011.db2.gz SUBVGJHNBZZIHS-UHFFFAOYSA-N 1 0 300.421 4.262 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001254644592 1046434942 /nfs/dbraw/zinc/43/49/42/1046434942.db2.gz ZNRIGRFUAHGRKB-BXKDBHETSA-N 1 0 302.727 4.141 20 30 DIEDRO CCCCCCCC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001139362527 1046438305 /nfs/dbraw/zinc/43/83/05/1046438305.db2.gz YKFAXBYZJVMGEM-SFHVURJKSA-N 1 0 308.510 4.260 20 30 DIEDRO COc1ccccc1C(C)(C)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001648986652 1046442259 /nfs/dbraw/zinc/44/22/59/1046442259.db2.gz VNMKODUXCQMWHE-UHFFFAOYSA-N 1 0 322.452 4.251 20 30 DIEDRO C[C@]1(F)CCCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139401505 1046443524 /nfs/dbraw/zinc/44/35/24/1046443524.db2.gz AUIQELXDQHDVEW-FQEVSTJZSA-N 1 0 323.415 4.334 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[NH+]3Cc4ccccc4C3)cc2)c1 ZINC001139400236 1046443594 /nfs/dbraw/zinc/44/35/94/1046443594.db2.gz KZXXQFVBGBYGDV-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO C[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C1CCCCC1 ZINC001139400397 1046443882 /nfs/dbraw/zinc/44/38/82/1046443882.db2.gz QQFKYSJGLBRGLC-UHFFFAOYSA-N 1 0 305.425 4.385 20 30 DIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405084 1046444069 /nfs/dbraw/zinc/44/40/69/1046444069.db2.gz IPOLMKTXUICVTH-HOTGVXAUSA-N 1 0 305.425 4.098 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000781426856 1046444173 /nfs/dbraw/zinc/44/41/73/1046444173.db2.gz PBXYQPTXTLQCOF-BMIGLBTASA-N 1 0 315.417 4.191 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@H]1C ZINC001139402530 1046444233 /nfs/dbraw/zinc/44/42/33/1046444233.db2.gz TYHFODVDAJRKBN-IAGOWNOFSA-N 1 0 319.452 4.488 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001168243629 1046444740 /nfs/dbraw/zinc/44/47/40/1046444740.db2.gz JUTAYXQLRQGKMF-CRAIPNDOSA-N 1 0 323.436 4.078 20 30 DIEDRO Cc1c(CN(CCC#N)C2CCCCCCC2)nc2ccccn12 ZINC001137272147 1046447930 /nfs/dbraw/zinc/44/79/30/1046447930.db2.gz JRAJZYFFXAYOBT-UHFFFAOYSA-N 1 0 324.472 4.471 20 30 DIEDRO C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1C ZINC001139425305 1046448602 /nfs/dbraw/zinc/44/86/02/1046448602.db2.gz IYFRADWXLYWONS-HOTGVXAUSA-N 1 0 321.424 4.366 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1ccccc1-n1cncn1 ZINC001139421443 1046449030 /nfs/dbraw/zinc/44/90/30/1046449030.db2.gz LPZVEHFCSLBNRC-UHFFFAOYSA-N 1 0 300.450 4.060 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1C ZINC001139425304 1046449264 /nfs/dbraw/zinc/44/92/64/1046449264.db2.gz IYFRADWXLYWONS-CVEARBPZSA-N 1 0 321.424 4.366 20 30 DIEDRO C=CCC[N@@H+](Cc1nc2ccccn2c1C)Cc1ccccc1 ZINC001137272518 1046450752 /nfs/dbraw/zinc/45/07/52/1046450752.db2.gz XYEXLHRWQFKOML-UHFFFAOYSA-N 1 0 305.425 4.221 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC34CCCC4)cn2)cc1 ZINC001139427143 1046450828 /nfs/dbraw/zinc/45/08/28/1046450828.db2.gz WHBIAUMXGGNQIE-UHFFFAOYSA-N 1 0 319.408 4.264 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(SC(F)F)cc2)c1 ZINC000781630594 1046464214 /nfs/dbraw/zinc/46/42/14/1046464214.db2.gz BIPDRPHWKFVVNT-UHFFFAOYSA-N 1 0 322.355 4.302 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139541152 1046466322 /nfs/dbraw/zinc/46/63/22/1046466322.db2.gz QBHCLZHSYFGDFG-UHFFFAOYSA-N 1 0 311.351 4.370 20 30 DIEDRO C=CCC[N@@H+](Cc1cn2c(cccc2F)n1)Cc1ccccc1 ZINC001139569099 1046475308 /nfs/dbraw/zinc/47/53/08/1046475308.db2.gz AINIPASMPLKIFW-UHFFFAOYSA-N 1 0 309.388 4.052 20 30 DIEDRO C=C(C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000677237637 1046477496 /nfs/dbraw/zinc/47/74/96/1046477496.db2.gz LBQAULYXIMTTQC-WIYYLYMNSA-N 1 0 307.437 4.457 20 30 DIEDRO C=CC[C@@H](C)[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000781906258 1046484106 /nfs/dbraw/zinc/48/41/06/1046484106.db2.gz WKVQRBQWSPKWFM-PBPGXSGUSA-N 1 0 301.474 4.494 20 30 DIEDRO C#CCCC[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000781896696 1046484655 /nfs/dbraw/zinc/48/46/55/1046484655.db2.gz MIMYDIJXVDELGJ-CQSZACIVSA-N 1 0 301.377 4.113 20 30 DIEDRO CCCCCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000781909964 1046486558 /nfs/dbraw/zinc/48/65/58/1046486558.db2.gz GXKHNJBQXKBQDT-SFHVURJKSA-N 1 0 303.425 4.209 20 30 DIEDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1 ZINC000781929185 1046487423 /nfs/dbraw/zinc/48/74/23/1046487423.db2.gz GUOWETRWLGTHRQ-FXAWDEMLSA-N 1 0 311.473 4.049 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1C(C)C ZINC001139624285 1046490242 /nfs/dbraw/zinc/49/02/42/1046490242.db2.gz KOOHUWIJOLDPSH-UHFFFAOYSA-N 1 0 308.425 4.322 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000795585589 1046492718 /nfs/dbraw/zinc/49/27/18/1046492718.db2.gz AGCMUEJZOKRTBE-LHHMISFZSA-N 1 0 300.446 4.139 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1[nH]nc2ccc(Br)cc21 ZINC001139660000 1046494457 /nfs/dbraw/zinc/49/44/57/1046494457.db2.gz ICQZXTVBBVJSAZ-UHFFFAOYSA-N 1 0 322.250 4.114 20 30 DIEDRO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001139693668 1046500661 /nfs/dbraw/zinc/50/06/61/1046500661.db2.gz NFLKFYXWTODSQT-GASCZTMLSA-N 1 0 308.812 4.298 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139706318 1046501270 /nfs/dbraw/zinc/50/12/70/1046501270.db2.gz RBUCGWIIEOLNQK-CQSZACIVSA-N 1 0 319.408 4.241 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1cccc(F)c1 ZINC001139706290 1046501432 /nfs/dbraw/zinc/50/14/32/1046501432.db2.gz PXCQLHUFCRPHRE-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO CCc1ccc(C[N@H+](C)Cc2c[nH]c3c2cccc3C#N)cc1 ZINC001139706051 1046502555 /nfs/dbraw/zinc/50/25/55/1046502555.db2.gz JMLSEJQBLFEODF-UHFFFAOYSA-N 1 0 303.409 4.234 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccc(OC)cc1 ZINC001139707329 1046503553 /nfs/dbraw/zinc/50/35/53/1046503553.db2.gz WVIRADKZEWDJGT-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)cc1C#N ZINC001139724130 1046506783 /nfs/dbraw/zinc/50/67/83/1046506783.db2.gz LQTDPAJQUAXEQN-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)cc1C#N ZINC001139727191 1046507108 /nfs/dbraw/zinc/50/71/08/1046507108.db2.gz IMSDFLVQPLFSBQ-UHFFFAOYSA-N 1 0 314.432 4.130 20 30 DIEDRO C=CCn1cc(C[N@@H+](CC)Cc2ccc(C(F)(F)F)cc2)cn1 ZINC001139771037 1046516280 /nfs/dbraw/zinc/51/62/80/1046516280.db2.gz LYLKWTCPCSCTHI-UHFFFAOYSA-N 1 0 323.362 4.110 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(COC)s1)[C@@H]1CCc2ccccc21 ZINC001139826847 1046526850 /nfs/dbraw/zinc/52/68/50/1046526850.db2.gz CWRTVQVHJCTVCD-LJQANCHMSA-N 1 0 311.450 4.017 20 30 DIEDRO COCC#CC[N@H+](C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000677817453 1046530063 /nfs/dbraw/zinc/53/00/63/1046530063.db2.gz MEEBAYVAXJXAGA-QGZVFWFLSA-N 1 0 323.436 4.005 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc2nc(C)ccc2c1)c1ccncc1 ZINC000782529380 1046534945 /nfs/dbraw/zinc/53/49/45/1046534945.db2.gz MCSQSDVTGCSRIV-LJQANCHMSA-N 1 0 303.409 4.345 20 30 DIEDRO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139875252 1046538855 /nfs/dbraw/zinc/53/88/55/1046538855.db2.gz XALWAPCSLYCLDO-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO C[N@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC001139875121 1046539556 /nfs/dbraw/zinc/53/95/56/1046539556.db2.gz HGPSPLUWCLFDMG-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO N#Cc1cc(F)cc(C[NH+]2CCC(c3cccs3)CC2)c1 ZINC001139875080 1046540011 /nfs/dbraw/zinc/54/00/11/1046540011.db2.gz UISCDVDLVYZBBE-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO N#Cc1cc(F)cc(C[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC001139875104 1046540974 /nfs/dbraw/zinc/54/09/74/1046540974.db2.gz VKOSNVBKGLZGBY-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000678121666 1046558659 /nfs/dbraw/zinc/55/86/59/1046558659.db2.gz AEHQSSVDEOGACQ-UHFFFAOYSA-N 1 0 309.413 4.231 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000783252642 1046570428 /nfs/dbraw/zinc/57/04/28/1046570428.db2.gz DECGBJVDIUXRFF-ICSRJNTNSA-N 1 0 308.400 4.297 20 30 DIEDRO N#Cc1c(CN2CCC[C@H]2c2ccsc2)cn2ccccc12 ZINC000058581331 1046573872 /nfs/dbraw/zinc/57/38/72/1046573872.db2.gz AKZNUELKYXLCKT-KRWDZBQOSA-N 1 0 307.422 4.210 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000783298627 1046574761 /nfs/dbraw/zinc/57/47/61/1046574761.db2.gz NQXJMIFCCCLSBP-DLBZAZTESA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000783299656 1046575725 /nfs/dbraw/zinc/57/57/25/1046575725.db2.gz SCKDPYPOZYCKJI-HZPDHXFCSA-N 1 0 310.482 4.110 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)C[C@@H](c2ccccc2)C1 ZINC000783295054 1046575747 /nfs/dbraw/zinc/57/57/47/1046575747.db2.gz YEWOBLPBMYZJPI-QSFXBCCZSA-N 1 0 305.425 4.015 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2cc(F)c(C#N)c(F)c2)cc1 ZINC001204705523 1046583044 /nfs/dbraw/zinc/58/30/44/1046583044.db2.gz MRPDERFYKVHSOA-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(OCOCC)cc1 ZINC000783390014 1046588397 /nfs/dbraw/zinc/58/83/97/1046588397.db2.gz JRXBMSNKGJPCNQ-UHFFFAOYSA-N 1 0 317.454 4.309 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678212963 1046588530 /nfs/dbraw/zinc/58/85/30/1046588530.db2.gz RFLWASPGJOVKMI-IBGZPJMESA-N 1 0 309.409 4.294 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)C1 ZINC001140096365 1046588842 /nfs/dbraw/zinc/58/88/42/1046588842.db2.gz RPHLCAUXUIMCIW-ZDUSSCGKSA-N 1 0 315.417 4.075 20 30 DIEDRO CC(C)[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1 ZINC001140112726 1046590265 /nfs/dbraw/zinc/59/02/65/1046590265.db2.gz VVVLFECOVYLKPL-UHFFFAOYSA-N 1 0 303.409 4.450 20 30 DIEDRO N#Cc1ccc2[nH]cc(CN3CCc4ccc(Cl)cc4C3)c2c1 ZINC001140110313 1046590329 /nfs/dbraw/zinc/59/03/29/1046590329.db2.gz FCEVZNLIIMPVLT-UHFFFAOYSA-N 1 0 321.811 4.251 20 30 DIEDRO C[C@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ccccc21 ZINC001140110950 1046591352 /nfs/dbraw/zinc/59/13/52/1046591352.db2.gz VMWNQWIUALHYOQ-AWEZNQCLSA-N 1 0 301.393 4.159 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC=C(c4ccccc4)CC3)c2c1 ZINC001140115604 1046594547 /nfs/dbraw/zinc/59/45/47/1046594547.db2.gz IFCZYEDOZDRNRS-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115357 1046595942 /nfs/dbraw/zinc/59/59/42/1046595942.db2.gz XFZFTNQSMKBXSB-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@H+](Cc3ccccc3)C3CC3)c2c1 ZINC001140115994 1046595969 /nfs/dbraw/zinc/59/59/69/1046595969.db2.gz NZXNIHBTJXUSOC-UHFFFAOYSA-N 1 0 301.393 4.204 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000729686051 1046599678 /nfs/dbraw/zinc/59/96/78/1046599678.db2.gz UPDDAHJSHNZPDY-INIZCTEOSA-N 1 0 324.424 4.227 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000237818959 1046605681 /nfs/dbraw/zinc/60/56/81/1046605681.db2.gz ZZCPMMYTGBDPBG-UHFFFAOYSA-N 1 0 300.446 4.429 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H]2CCC[C@@H](C)C2)cc1 ZINC000237350640 1046609535 /nfs/dbraw/zinc/60/95/35/1046609535.db2.gz NHUWBXUQQPSYSR-BRWVUGGUSA-N 1 0 300.446 4.283 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093100998 1046610527 /nfs/dbraw/zinc/61/05/27/1046610527.db2.gz XFBYIBAZJWNVRF-INIZCTEOSA-N 1 0 313.445 4.129 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000093100999 1046610726 /nfs/dbraw/zinc/61/07/26/1046610726.db2.gz XFBYIBAZJWNVRF-MRXNPFEDSA-N 1 0 313.445 4.129 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000532967639 1046631881 /nfs/dbraw/zinc/63/18/81/1046631881.db2.gz ZRYNWVWLPCJKPA-HNNXBMFYSA-N 1 0 306.425 4.139 20 30 DIEDRO CCOCC[N@H+](CC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000532959940 1046633659 /nfs/dbraw/zinc/63/36/59/1046633659.db2.gz YDRRCDFUOCHMSM-UHFFFAOYSA-N 1 0 308.425 4.084 20 30 DIEDRO CSc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000532987867 1046635740 /nfs/dbraw/zinc/63/57/40/1046635740.db2.gz RZYCLVLDABVPNK-UHFFFAOYSA-N 1 0 300.402 4.018 20 30 DIEDRO CCC(CC)CN(CCC#N)Cc1cnc(-c2ccccc2)nc1 ZINC000532988755 1046635865 /nfs/dbraw/zinc/63/58/65/1046635865.db2.gz XOQIARUMMRKHLF-UHFFFAOYSA-N 1 0 322.456 4.295 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000834640607 1046642668 /nfs/dbraw/zinc/64/26/68/1046642668.db2.gz PMIQXKCGLVUIMV-IRXDYDNUSA-N 1 0 323.440 4.046 20 30 DIEDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)c2sccc21 ZINC000834639803 1046643222 /nfs/dbraw/zinc/64/32/22/1046643222.db2.gz BYUALFFUWUDADE-SUMWQHHRSA-N 1 0 312.438 4.379 20 30 DIEDRO C=CCCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000533064616 1046648918 /nfs/dbraw/zinc/64/89/18/1046648918.db2.gz WUVSFILJGOBAFC-UHFFFAOYSA-N 1 0 315.436 4.057 20 30 DIEDRO COc1ccc(C[N@H+](Cc2cccc(F)c2)C(C)C)cc1C#N ZINC000533079848 1046650590 /nfs/dbraw/zinc/65/05/90/1046650590.db2.gz ACJZLXFMUGHIJR-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(-c2nccs2)c1 ZINC001140336498 1046665145 /nfs/dbraw/zinc/66/51/45/1046665145.db2.gz HAQDVXYOICZLHW-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834810231 1046673762 /nfs/dbraw/zinc/67/37/62/1046673762.db2.gz ALRBOPGOXXHATF-QZTJIDSGSA-N 1 0 306.409 4.404 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834810227 1046674337 /nfs/dbraw/zinc/67/43/37/1046674337.db2.gz ALRBOPGOXXHATF-MSOLQXFVSA-N 1 0 306.409 4.404 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(Cl)nc1 ZINC000795778683 1046676708 /nfs/dbraw/zinc/67/67/08/1046676708.db2.gz RIFYXTHTYATFFA-QGZVFWFLSA-N 1 0 311.816 4.164 20 30 DIEDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000795783876 1046676807 /nfs/dbraw/zinc/67/68/07/1046676807.db2.gz XPDPIGLYIPQNFR-OAQYLSRUSA-N 1 0 319.452 4.182 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)cc1 ZINC000784265090 1046677606 /nfs/dbraw/zinc/67/76/06/1046677606.db2.gz CCOPYQQNQVDLSS-OAQYLSRUSA-N 1 0 320.436 4.010 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000784262886 1046677842 /nfs/dbraw/zinc/67/78/42/1046677842.db2.gz JCIQUDXUYXLXPI-UHFFFAOYSA-N 1 0 323.827 4.090 20 30 DIEDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000795801098 1046679838 /nfs/dbraw/zinc/67/98/38/1046679838.db2.gz PRIFNCNSANWHSI-HXUWFJFHSA-N 1 0 320.436 4.491 20 30 DIEDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000795802096 1046679973 /nfs/dbraw/zinc/67/99/73/1046679973.db2.gz XTILYAKEYJYWDC-MDASCCDHSA-N 1 0 324.424 4.021 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678744296 1046693087 /nfs/dbraw/zinc/69/30/87/1046693087.db2.gz KKYKKKJJZUXIPY-SJORKVTESA-N 1 0 308.425 4.113 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000678737227 1046693551 /nfs/dbraw/zinc/69/35/51/1046693551.db2.gz MCSHLCNBLOXRAL-SJORKVTESA-N 1 0 320.436 4.391 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834889608 1046700826 /nfs/dbraw/zinc/70/08/26/1046700826.db2.gz VTSKYSQBVRPJHP-DBVUQKKJSA-N 1 0 314.473 4.061 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001140418820 1046705550 /nfs/dbraw/zinc/70/55/50/1046705550.db2.gz AFCGRSGAFBRCEH-UHFFFAOYSA-N 1 0 315.417 4.075 20 30 DIEDRO C[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc(C#N)cc1F ZINC000834895040 1046707768 /nfs/dbraw/zinc/70/77/68/1046707768.db2.gz WVKZRXALFYMORA-QMTHXVAHSA-N 1 0 315.219 4.322 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)c1 ZINC000834903452 1046713966 /nfs/dbraw/zinc/71/39/66/1046713966.db2.gz PNRUKJPTJMZIPA-AWEZNQCLSA-N 1 0 311.450 4.249 20 30 DIEDRO CCCCC[N@H+](CC(=O)Nc1sccc1C#N)[C@H](C)CCC ZINC000533406559 1046715533 /nfs/dbraw/zinc/71/55/33/1046715533.db2.gz KOLDNRCAKZOIBQ-CQSZACIVSA-N 1 0 321.490 4.239 20 30 DIEDRO CCCCC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)CCC ZINC000533406552 1046716551 /nfs/dbraw/zinc/71/65/51/1046716551.db2.gz KOLDNRCAKZOIBQ-AWEZNQCLSA-N 1 0 321.490 4.239 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000796724757 1046722988 /nfs/dbraw/zinc/72/29/88/1046722988.db2.gz UISQHLMEISIUGK-INIZCTEOSA-N 1 0 302.393 4.282 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000796724758 1046723632 /nfs/dbraw/zinc/72/36/32/1046723632.db2.gz UISQHLMEISIUGK-MRXNPFEDSA-N 1 0 302.393 4.282 20 30 DIEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000533461483 1046730630 /nfs/dbraw/zinc/73/06/30/1046730630.db2.gz VWQPLQIOVGVBMV-MRXNPFEDSA-N 1 0 306.384 4.132 20 30 DIEDRO C=CC[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccncc1 ZINC000835040636 1046747664 /nfs/dbraw/zinc/74/76/64/1046747664.db2.gz QXTBSYDHJMPNSP-MWGFUINXSA-N 1 0 307.441 4.068 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1c(C#N)cccc1OC ZINC001211994210 1046749683 /nfs/dbraw/zinc/74/96/83/1046749683.db2.gz NGRUKBISLRGFOT-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccco1 ZINC000796943499 1046761138 /nfs/dbraw/zinc/76/11/38/1046761138.db2.gz ZHLXEAOYEWIPGY-WMZOPIPTSA-N 1 0 319.832 4.438 20 30 DIEDRO C=CCC(C)(C)C(=O)O[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000797047921 1046779128 /nfs/dbraw/zinc/77/91/28/1046779128.db2.gz HUXSQLOAPAUGEG-FUHWJXTLSA-N 1 0 315.457 4.043 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(C)cc1)c1ccc(C#N)cc1 ZINC000797055904 1046782023 /nfs/dbraw/zinc/78/20/23/1046782023.db2.gz AEVDZSHMYNXABF-RYGJVYDSSA-N 1 0 308.425 4.030 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(C)cc1)c1ccc(C#N)cc1 ZINC000797055912 1046782061 /nfs/dbraw/zinc/78/20/61/1046782061.db2.gz AEVDZSHMYNXABF-YSSFQJQWSA-N 1 0 308.425 4.030 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)cc1 ZINC000797066619 1046785574 /nfs/dbraw/zinc/78/55/74/1046785574.db2.gz SPGLYFRZRXJTDT-RBOXIYTFSA-N 1 0 311.878 4.220 20 30 DIEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001140602790 1046804489 /nfs/dbraw/zinc/80/44/89/1046804489.db2.gz PMBJVTNCPZAYLU-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001140603037 1046806625 /nfs/dbraw/zinc/80/66/25/1046806625.db2.gz XHMIGUKDONTDRU-OAHLLOKOSA-N 1 0 306.812 4.316 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1cc(C#N)ccc1Cl ZINC001140601353 1046807164 /nfs/dbraw/zinc/80/71/64/1046807164.db2.gz OPVBNEDUBPYJRG-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C=CCCN(Cc1ccccc1)Cc1cc(Cl)ncc1F ZINC001140607152 1046809358 /nfs/dbraw/zinc/80/93/58/1046809358.db2.gz AKWSYTBYUVQTQX-UHFFFAOYSA-N 1 0 304.796 4.452 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC(F)F)c(O)c1 ZINC001140630560 1046819491 /nfs/dbraw/zinc/81/94/91/1046819491.db2.gz XDKVIRDZCDTOFT-UHFFFAOYSA-N 1 0 319.351 4.182 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248633836 1046847035 /nfs/dbraw/zinc/84/70/35/1046847035.db2.gz SKMUURJAOUMEGB-QZTJIDSGSA-N 1 0 320.521 4.092 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(-c2ccncc2)cc1 ZINC000248753999 1046853621 /nfs/dbraw/zinc/85/36/21/1046853621.db2.gz CLUHTFQHBGZPMF-RZQQEMMASA-N 1 0 305.425 4.482 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000679576631 1046872655 /nfs/dbraw/zinc/87/26/55/1046872655.db2.gz PZCXWLKIQMQXDC-NSHDSACASA-N 1 0 308.472 4.033 20 30 DIEDRO Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000237368341 1046875914 /nfs/dbraw/zinc/87/59/14/1046875914.db2.gz WXDKXBITUDMMSU-SFHVURJKSA-N 1 0 321.468 4.238 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc(Cl)cc1C#N ZINC000303151669 1046878729 /nfs/dbraw/zinc/87/87/29/1046878729.db2.gz CRVMBNDKMZATQV-AWEZNQCLSA-N 1 0 305.853 4.278 20 30 DIEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNC2CCCCC2)CC1 ZINC000797787749 1046881565 /nfs/dbraw/zinc/88/15/65/1046881565.db2.gz BCWXKZVXYMAUFC-UHFFFAOYSA-N 1 0 313.489 4.339 20 30 DIEDRO Cn1cnc2ccc(C[N@H+](CCC#N)C3CCCCCCC3)cc21 ZINC001140746293 1046883061 /nfs/dbraw/zinc/88/30/61/1046883061.db2.gz HOPQXXJWZMISOM-UHFFFAOYSA-N 1 0 324.472 4.402 20 30 DIEDRO CCc1cc(C[N@H+](CCC#N)CC2CC2)c(O)c(C(C)(C)C)c1 ZINC000303181065 1046886186 /nfs/dbraw/zinc/88/61/86/1046886186.db2.gz ICRBNPATJZGYPL-UHFFFAOYSA-N 1 0 314.473 4.378 20 30 DIEDRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001140782000 1046894781 /nfs/dbraw/zinc/89/47/81/1046894781.db2.gz YLBAUXHCKDDYLU-FQEVSTJZSA-N 1 0 324.399 4.049 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)cc1 ZINC000614991422 1046899527 /nfs/dbraw/zinc/89/95/27/1046899527.db2.gz UWSLLOYHHDEZHR-IBGZPJMESA-N 1 0 305.425 4.124 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC000797879831 1046900791 /nfs/dbraw/zinc/90/07/91/1046900791.db2.gz LEKYTYFCFMYGMZ-KESTWPANSA-N 1 0 323.411 4.264 20 30 DIEDRO C[C@@H](CC#N)[N@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000161768836 1046913816 /nfs/dbraw/zinc/91/38/16/1046913816.db2.gz CEKTYEONAFRHCW-ZDUSSCGKSA-N 1 0 314.351 4.098 20 30 DIEDRO C[C@H](CC#N)[N@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000161768959 1046913921 /nfs/dbraw/zinc/91/39/21/1046913921.db2.gz CEKTYEONAFRHCW-CYBMUJFWSA-N 1 0 314.351 4.098 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1Cl ZINC001140813076 1046914346 /nfs/dbraw/zinc/91/43/46/1046914346.db2.gz WBDULBLILYYVCK-OAHLLOKOSA-N 1 0 306.812 4.316 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000797999298 1046918584 /nfs/dbraw/zinc/91/85/84/1046918584.db2.gz SONVUEZIYGRDLF-HBFSDRIKSA-N 1 0 315.457 4.034 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2cnccc21 ZINC000679983431 1046919770 /nfs/dbraw/zinc/91/97/70/1046919770.db2.gz NTXWNIQKBTWKJF-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000303665894 1046941037 /nfs/dbraw/zinc/94/10/37/1046941037.db2.gz FGVGSTBDDRXCPI-BEFAXECRSA-N 1 0 308.450 4.237 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC(c2ccccc2)c2ccccc2)cc1 ZINC000237841690 1046941565 /nfs/dbraw/zinc/94/15/65/1046941565.db2.gz AIKMVRLDTYAUDL-UHFFFAOYSA-N 1 0 312.416 4.480 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)c1 ZINC000237845911 1046943293 /nfs/dbraw/zinc/94/32/93/1046943293.db2.gz PSTPMFAZAGLVLV-OAQYLSRUSA-N 1 0 320.436 4.132 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(OC(C)C)cc2)c1 ZINC000303778349 1046963509 /nfs/dbraw/zinc/96/35/09/1046963509.db2.gz JNXWZHSIVONOGB-UHFFFAOYSA-N 1 0 311.429 4.017 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCCc2c(F)cccc2F)c1 ZINC000303888402 1047001558 /nfs/dbraw/zinc/00/15/58/1047001558.db2.gz LJLNFEBFQYKZRG-UHFFFAOYSA-N 1 0 317.383 4.058 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000303917363 1047002129 /nfs/dbraw/zinc/00/21/29/1047002129.db2.gz VJZDYRIOUGCBOC-GUYCJALGSA-N 1 0 312.363 4.214 20 30 DIEDRO N#CC1(CCC[NH2+]C(C2CCCC2)C2CCCC2)CCOCC1 ZINC000799155190 1047005142 /nfs/dbraw/zinc/00/51/42/1047005142.db2.gz SNPRQPBNBNIVAB-UHFFFAOYSA-N 1 0 318.505 4.426 20 30 DIEDRO CC(C)Oc1cccc(CN(C)Cc2ccc(C#N)cc2F)c1 ZINC000533762537 1047010530 /nfs/dbraw/zinc/01/05/30/1047010530.db2.gz CNJLLKPVCRAWHN-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CCC[C@H]2c2ccccc2)c1Cl ZINC001141112036 1047018883 /nfs/dbraw/zinc/01/88/83/1047018883.db2.gz MTAORMQOGMRMHV-ZDUSSCGKSA-N 1 0 317.845 4.192 20 30 DIEDRO CCO[C@@H](CCNC(=[NH2+])Nc1cc(C)cc(C)c1)C1CCCC1 ZINC000304495894 1047038138 /nfs/dbraw/zinc/03/81/38/1047038138.db2.gz NNXPMMXGBPQKHC-SFHVURJKSA-N 1 0 317.477 4.015 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141207968 1047046241 /nfs/dbraw/zinc/04/62/41/1047046241.db2.gz VVUSBPWZCCXBEQ-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001141208533 1047046409 /nfs/dbraw/zinc/04/64/09/1047046409.db2.gz FNOPPABZNPCWRS-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO CCc1ccccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001141224317 1047052623 /nfs/dbraw/zinc/05/26/23/1047052623.db2.gz OKLAIBAGQXKAMK-UHFFFAOYSA-N 1 0 304.437 4.306 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCCc2cc3ccccc3o2)c1 ZINC000304763664 1047053980 /nfs/dbraw/zinc/05/39/80/1047053980.db2.gz XCFNBWKZTZQRMV-UHFFFAOYSA-N 1 0 307.397 4.019 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)c2cccs2)c1 ZINC000304765795 1047054032 /nfs/dbraw/zinc/05/40/32/1047054032.db2.gz ZTGBVMBIKHEJLX-UHFFFAOYSA-N 1 0 301.459 4.069 20 30 DIEDRO Cc1c2ccccc2oc1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000304762604 1047054720 /nfs/dbraw/zinc/05/47/20/1047054720.db2.gz VWZNDMGTNVWNHZ-UHFFFAOYSA-N 1 0 319.408 4.157 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C#N)cc2F)cc1 ZINC000304765533 1047054803 /nfs/dbraw/zinc/05/48/03/1047054803.db2.gz ZJXPALLXAPZHNV-ZDUSSCGKSA-N 1 0 324.403 4.138 20 30 DIEDRO C[C@H]1SCCN(Cc2ccc(C#N)s2)[C@@H]1c1ccccc1 ZINC000536661811 1047055360 /nfs/dbraw/zinc/05/53/60/1047055360.db2.gz FUSOCWYXDIMAMD-DYVFJYSZSA-N 1 0 314.479 4.298 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc(OCC#N)cc1 ZINC000799719720 1047055974 /nfs/dbraw/zinc/05/59/74/1047055974.db2.gz VSSBLBXUDZWMRU-LRVUVFPRSA-N 1 0 308.372 4.063 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)cc1 ZINC000799729486 1047058604 /nfs/dbraw/zinc/05/86/04/1047058604.db2.gz TXQVRFPATXWESX-MRXNPFEDSA-N 1 0 318.420 4.073 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC4(CC4)C3)cc2)cc1 ZINC001141289086 1047076981 /nfs/dbraw/zinc/07/69/81/1047076981.db2.gz AEFRJFJIJCYANN-UHFFFAOYSA-N 1 0 304.393 4.336 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000305109396 1047098321 /nfs/dbraw/zinc/09/83/21/1047098321.db2.gz CKBCXZCOMOGWQS-ZCNNSNEGSA-N 1 0 319.452 4.123 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536842954 1047110458 /nfs/dbraw/zinc/11/04/58/1047110458.db2.gz BOTYABNMPFZNHQ-GJZGRUSLSA-N 1 0 301.352 4.073 20 30 DIEDRO CCCCCCCCCN(C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000827533339 1047114207 /nfs/dbraw/zinc/11/42/07/1047114207.db2.gz DWEQIDDGFBVVCK-AYHJJNSGSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC001141394475 1047116316 /nfs/dbraw/zinc/11/63/16/1047116316.db2.gz ZKVKGUGOOLJCAA-UHFFFAOYSA-N 1 0 309.425 4.485 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[NH+](C(C)C)CC1 ZINC001141401883 1047119220 /nfs/dbraw/zinc/11/92/20/1047119220.db2.gz RIAUMZKQNHGARY-SEYXRHQNSA-N 1 0 308.510 4.236 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[NH+](C(C)C)CC1 ZINC001141401882 1047119803 /nfs/dbraw/zinc/11/98/03/1047119803.db2.gz RIAUMZKQNHGARY-OUKQBFOZSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCOc2ccc(OCC)cc21)C1CC1 ZINC000681400066 1047120412 /nfs/dbraw/zinc/12/04/12/1047120412.db2.gz WZABNLIQDAJLKT-ZWKOTPCHSA-N 1 0 301.430 4.243 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccccc1-c1ccccc1C)C1CCOCC1 ZINC000827555691 1047120806 /nfs/dbraw/zinc/12/08/06/1047120806.db2.gz ZNOJOBKCXBJKIJ-JOCHJYFZSA-N 1 0 319.448 4.180 20 30 DIEDRO CCCCCCCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459625745 1047121805 /nfs/dbraw/zinc/12/18/05/1047121805.db2.gz BYVVUOQZOYYEMN-INIZCTEOSA-N 1 0 312.498 4.288 20 30 DIEDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC001116321210 1047129437 /nfs/dbraw/zinc/12/94/37/1047129437.db2.gz BVQQAOYBXDOTEO-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC001116466769 1047144798 /nfs/dbraw/zinc/14/47/98/1047144798.db2.gz IAWHNVCROBOQAN-NHCUHLMSSA-N 1 0 320.436 4.405 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC001116466770 1047145534 /nfs/dbraw/zinc/14/55/34/1047145534.db2.gz IAWHNVCROBOQAN-RTWAWAEBSA-N 1 0 320.436 4.405 20 30 DIEDRO CCCCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001459888430 1047148588 /nfs/dbraw/zinc/14/85/88/1047148588.db2.gz AOBKBSGXAAVWDJ-INIZCTEOSA-N 1 0 312.498 4.288 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc2ccccc21)c1cccc(C#N)c1 ZINC000537293816 1047160865 /nfs/dbraw/zinc/16/08/65/1047160865.db2.gz HUBDSLNPKFTEOR-MRXNPFEDSA-N 1 0 316.404 4.441 20 30 DIEDRO CC[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Oc1cccc(F)c1 ZINC000537293440 1047160944 /nfs/dbraw/zinc/16/09/44/1047160944.db2.gz SPPXYGADXCVAAA-KBXCAEBGSA-N 1 0 312.388 4.206 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000537296996 1047160987 /nfs/dbraw/zinc/16/09/87/1047160987.db2.gz IYASNOWFIPGGQG-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC000537306555 1047162434 /nfs/dbraw/zinc/16/24/34/1047162434.db2.gz HJZHMNBWEMVUSE-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000537304385 1047162771 /nfs/dbraw/zinc/16/27/71/1047162771.db2.gz QDXIEBIIYDRBGX-HOTGVXAUSA-N 1 0 308.425 4.096 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000537305613 1047163418 /nfs/dbraw/zinc/16/34/18/1047163418.db2.gz AWYLJURYSBEWLL-KBPBESRZSA-N 1 0 318.852 4.316 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC000537306544 1047163508 /nfs/dbraw/zinc/16/35/08/1047163508.db2.gz HJZHMNBWEMVUSE-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000537364094 1047175218 /nfs/dbraw/zinc/17/52/18/1047175218.db2.gz QUWADGDYOJUGFU-AWEZNQCLSA-N 1 0 306.837 4.123 20 30 DIEDRO CC(C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC001116822528 1047180558 /nfs/dbraw/zinc/18/05/58/1047180558.db2.gz LWFUJXOKDQUECE-UHFFFAOYSA-N 1 0 324.428 4.057 20 30 DIEDRO C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000537405393 1047181620 /nfs/dbraw/zinc/18/16/20/1047181620.db2.gz IPXOIINZWCXVAA-AWEZNQCLSA-N 1 0 308.400 4.153 20 30 DIEDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CCCC1 ZINC000537408283 1047181660 /nfs/dbraw/zinc/18/16/60/1047181660.db2.gz SUSYZJWCMJSUJH-HNNXBMFYSA-N 1 0 318.436 4.335 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000537408083 1047181722 /nfs/dbraw/zinc/18/17/22/1047181722.db2.gz VLBVZQGDMLYARE-QANKJYHBSA-N 1 0 318.436 4.189 20 30 DIEDRO CCC1(c2ccccc2)C[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000839187270 1047202358 /nfs/dbraw/zinc/20/23/58/1047202358.db2.gz TVOIFYFHSKSRCH-KRWDZBQOSA-N 1 0 320.436 4.141 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(OC)cc1OC ZINC001203112721 1047237588 /nfs/dbraw/zinc/23/75/88/1047237588.db2.gz CPJQCUXSLUNYDT-CZUORRHYSA-N 1 0 307.409 4.067 20 30 DIEDRO N#CC1(CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CCCCC1 ZINC000839505254 1047242501 /nfs/dbraw/zinc/24/25/01/1047242501.db2.gz LUZWKXWZBSDWLQ-IRXDYDNUSA-N 1 0 316.445 4.032 20 30 DIEDRO CN(Cc1cnc(C2CCCC2)s1)Cc1cc(C#N)cs1 ZINC000897626204 1047249084 /nfs/dbraw/zinc/24/90/84/1047249084.db2.gz VMJKQVBWAMKSBD-UHFFFAOYSA-N 1 0 317.483 4.366 20 30 DIEDRO C[C@H]1CCCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001141659126 1047252268 /nfs/dbraw/zinc/25/22/68/1047252268.db2.gz AWBWEULNXGPELZ-LBPRGKRZSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001203112896 1047253692 /nfs/dbraw/zinc/25/36/92/1047253692.db2.gz FIXGEGKQGIHZMO-DYVFJYSZSA-N 1 0 305.849 4.499 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000683013657 1047255197 /nfs/dbraw/zinc/25/51/97/1047255197.db2.gz ICPSKIMNPVNHKJ-HXUWFJFHSA-N 1 0 314.432 4.399 20 30 DIEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC000925316522 1047255125 /nfs/dbraw/zinc/25/51/25/1047255125.db2.gz HEGIBAZJTCBKMF-HUUCEWRRSA-N 1 0 315.461 4.089 20 30 DIEDRO CCCCCCCCN(C)Cc1ncc(Br)cn1 ZINC001141671507 1047258232 /nfs/dbraw/zinc/25/82/32/1047258232.db2.gz DZWRBZANZCWMJK-UHFFFAOYSA-N 1 0 314.271 4.031 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001118098855 1047264982 /nfs/dbraw/zinc/26/49/82/1047264982.db2.gz BKXSKIJIBQPFHO-QGZVFWFLSA-N 1 0 319.452 4.351 20 30 DIEDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000796435117 1047270711 /nfs/dbraw/zinc/27/07/11/1047270711.db2.gz PUDKGOPQLIVTLF-MAODMQOUSA-N 1 0 320.436 4.065 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001141738841 1047283106 /nfs/dbraw/zinc/28/31/06/1047283106.db2.gz CQRIDRQJEBWAOY-UHFFFAOYSA-N 1 0 302.421 4.383 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000796441040 1047285124 /nfs/dbraw/zinc/28/51/24/1047285124.db2.gz DXOFPDYREIQYQJ-UHFFFAOYSA-N 1 0 323.436 4.255 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001203113812 1047286319 /nfs/dbraw/zinc/28/63/19/1047286319.db2.gz RKUSZTJUBDMXJZ-AZUAARDMSA-N 1 0 309.457 4.312 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001203113761 1047288391 /nfs/dbraw/zinc/28/83/91/1047288391.db2.gz PYNUMESAQVXJJZ-CXAGYDPISA-N 1 0 314.404 4.304 20 30 DIEDRO C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455864509 1047290969 /nfs/dbraw/zinc/29/09/69/1047290969.db2.gz SYHYNMTXDBVTOK-KDOFPFPSSA-N 1 0 315.461 4.102 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001203114212 1047292220 /nfs/dbraw/zinc/29/22/20/1047292220.db2.gz ZPZARBZGKRPDQJ-HOCLYGCPSA-N 1 0 321.848 4.336 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141905125 1047307963 /nfs/dbraw/zinc/30/79/63/1047307963.db2.gz RQVBQWONKSOKGI-UHFFFAOYSA-N 1 0 307.235 4.109 20 30 DIEDRO CSc1nc(C[N@H+](Cc2ccccc2)C(C)C)ccc1C#N ZINC001141929163 1047311112 /nfs/dbraw/zinc/31/11/12/1047311112.db2.gz ODZCCWXUBYAAKM-UHFFFAOYSA-N 1 0 311.454 4.086 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)ccc1C#N ZINC001141940028 1047313656 /nfs/dbraw/zinc/31/36/56/1047313656.db2.gz ZHNBSRKMKVTYGQ-SFHVURJKSA-N 1 0 323.465 4.321 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000651678359 1047321455 /nfs/dbraw/zinc/32/14/55/1047321455.db2.gz MMTAHJHBMQZMRU-SQWLQELKSA-N 1 0 319.445 4.108 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000651685728 1047322055 /nfs/dbraw/zinc/32/20/55/1047322055.db2.gz CBIVVGSJWFKAIC-APWZRJJASA-N 1 0 317.448 4.208 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000651685729 1047322439 /nfs/dbraw/zinc/32/24/39/1047322439.db2.gz CBIVVGSJWFKAIC-LPHOPBHVSA-N 1 0 317.448 4.208 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398130343 1047326362 /nfs/dbraw/zinc/32/63/62/1047326362.db2.gz VJTMEKPMISULJT-BBWFWOEESA-N 1 0 324.509 4.356 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000840871390 1047349687 /nfs/dbraw/zinc/34/96/87/1047349687.db2.gz DXBVZWGAHZIDBM-JKQORVJESA-N 1 0 323.864 4.282 20 30 DIEDRO CCC[N@H+](CCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000537518535 1047352383 /nfs/dbraw/zinc/35/23/83/1047352383.db2.gz LFHZMOOSMCULCF-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO C=CCC1(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CCCCC1 ZINC001142065443 1047367282 /nfs/dbraw/zinc/36/72/82/1047367282.db2.gz NLUDHVYYEIPZFP-PXNSSMCTSA-N 1 0 320.521 4.140 20 30 DIEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCC(C)(C)C1 ZINC000796534121 1047380525 /nfs/dbraw/zinc/38/05/25/1047380525.db2.gz WOTQACLSUUUICP-HNNXBMFYSA-N 1 0 306.837 4.253 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(OC(F)(F)F)ccc1F ZINC001255636582 1047399367 /nfs/dbraw/zinc/39/93/67/1047399367.db2.gz PXLKVVUGTRAZEK-SSDOTTSWSA-N 1 0 319.220 4.155 20 30 DIEDRO C=CCCn1cc(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)nn1 ZINC000653661475 1047414451 /nfs/dbraw/zinc/41/44/51/1047414451.db2.gz SVOCQOMWGZIOCY-LJQANCHMSA-N 1 0 324.472 4.048 20 30 DIEDRO C=CCCn1cc(C[N@@H+]([C@H](C)c2ccccc2)C2CCCC2)nn1 ZINC000653669699 1047414879 /nfs/dbraw/zinc/41/48/79/1047414879.db2.gz HPQKYLLKIURSMO-QGZVFWFLSA-N 1 0 324.472 4.360 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000117877034 1047425890 /nfs/dbraw/zinc/42/58/90/1047425890.db2.gz RGTCOFMNWBURNQ-OAHLLOKOSA-N 1 0 315.392 4.021 20 30 DIEDRO FC[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255706850 1047431680 /nfs/dbraw/zinc/43/16/80/1047431680.db2.gz XWNMWXUPROOOCI-GMTAPVOTSA-N 1 0 321.280 4.331 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H](Cc2ccccc2)c2cccs2)ccn1 ZINC000612480855 1047431729 /nfs/dbraw/zinc/43/17/29/1047431729.db2.gz FBDRZYZHLMDUIG-GOSISDBHSA-N 1 0 319.433 4.088 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1O ZINC000841749381 1047450553 /nfs/dbraw/zinc/45/05/53/1047450553.db2.gz DODBJGUCCHQDJD-LBPRGKRZSA-N 1 0 312.800 4.257 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(O)c1 ZINC000841761237 1047454610 /nfs/dbraw/zinc/45/46/10/1047454610.db2.gz HVOOAVALKBIHKY-KUHUBIRLSA-N 1 0 306.409 4.301 20 30 DIEDRO Cc1ccc(C[C@H](C#N)SCC[NH+](C(C)C)C(C)C)cc1 ZINC000842570404 1047490149 /nfs/dbraw/zinc/49/01/49/1047490149.db2.gz YBUGYHXJUWQZJN-GOSISDBHSA-N 1 0 304.503 4.282 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1cnn(C(=O)OC(C)(C)C)c1 ZINC001142793966 1047496216 /nfs/dbraw/zinc/49/62/16/1047496216.db2.gz YWFMLGXKJZHFIA-UHFFFAOYSA-N 1 0 309.454 4.069 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(OC(F)F)c(OC(F)F)c1 ZINC001142822318 1047499209 /nfs/dbraw/zinc/49/92/09/1047499209.db2.gz NQXARXOSGACYDV-UHFFFAOYSA-N 1 0 319.298 4.063 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000842719685 1047499254 /nfs/dbraw/zinc/49/92/54/1047499254.db2.gz JARAVRWJEHBWEI-UHFFFAOYSA-N 1 0 319.452 4.033 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccccc2N2CCCCC2)cc1 ZINC000842720187 1047499656 /nfs/dbraw/zinc/49/96/56/1047499656.db2.gz SCZCVEAKJYBJLD-UHFFFAOYSA-N 1 0 319.452 4.033 20 30 DIEDRO COc1ccc([C@H](CC(C)C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000842828855 1047506838 /nfs/dbraw/zinc/50/68/38/1047506838.db2.gz JLBSZYQXOLGLHE-FQEVSTJZSA-N 1 0 308.425 4.444 20 30 DIEDRO C=CCCC[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000121061183 1047509570 /nfs/dbraw/zinc/50/95/70/1047509570.db2.gz KFSCLVPMJRRKNM-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(C)(C)CCC#N)C12CCCCC2 ZINC000537633043 1047510603 /nfs/dbraw/zinc/51/06/03/1047510603.db2.gz GKHJLIYRXXFPGY-IAGOWNOFSA-N 1 0 306.494 4.376 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1C ZINC000842885714 1047511168 /nfs/dbraw/zinc/51/11/68/1047511168.db2.gz QUCGGRQXQUOCPU-INIZCTEOSA-N 1 0 308.425 4.229 20 30 DIEDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)c1O ZINC000842886662 1047511395 /nfs/dbraw/zinc/51/13/95/1047511395.db2.gz GIPVVWSATHWTHK-ZDUSSCGKSA-N 1 0 314.816 4.271 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(F)c2)CCC1)c1ccc(OCC#N)cc1 ZINC000842900665 1047512698 /nfs/dbraw/zinc/51/26/98/1047512698.db2.gz GKDPHWWODZNFOL-HNNXBMFYSA-N 1 0 324.399 4.458 20 30 DIEDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142912256 1047513342 /nfs/dbraw/zinc/51/33/42/1047513342.db2.gz ZMNDAIOENOYOIO-CQSZACIVSA-N 1 0 301.393 4.159 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CCCC[C@H]3c3cccnc3)c[nH]c2c1 ZINC001142920850 1047514692 /nfs/dbraw/zinc/51/46/92/1047514692.db2.gz DCBDBNGOGUFDBO-FQEVSTJZSA-N 1 0 316.408 4.162 20 30 DIEDRO N#Cc1ccc2c(C[N@H+]3CC[C@H](c4ccccc4F)C3)c[nH]c2c1 ZINC001142921479 1047515109 /nfs/dbraw/zinc/51/51/09/1047515109.db2.gz ONCMVAIGAYJLJD-HNNXBMFYSA-N 1 0 319.383 4.168 20 30 DIEDRO CC1(C)C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ccccc21 ZINC001142922631 1047515135 /nfs/dbraw/zinc/51/51/35/1047515135.db2.gz OQJVRRCMFMZPDN-UHFFFAOYSA-N 1 0 315.420 4.333 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC23CCC3)c1 ZINC000537636016 1047518428 /nfs/dbraw/zinc/51/84/28/1047518428.db2.gz HXROTINLXXOAHY-UHFFFAOYSA-N 1 0 318.420 4.266 20 30 DIEDRO CS[C@H]1CCCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092064080 1047527220 /nfs/dbraw/zinc/52/72/20/1047527220.db2.gz BWDYZPSQHDCYLK-SFHVURJKSA-N 1 0 318.486 4.087 20 30 DIEDRO COc1cc(C)cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001143160221 1047535805 /nfs/dbraw/zinc/53/58/05/1047535805.db2.gz MGFCYEAGZYBOND-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO C[N@H+](Cc1c(F)ccc(C#N)c1F)C12CC3CC(CC(C3)C1)C2 ZINC001143170248 1047537712 /nfs/dbraw/zinc/53/77/12/1047537712.db2.gz DKGBVTILGPOAOG-UHFFFAOYSA-N 1 0 316.395 4.237 20 30 DIEDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093315560 1047545658 /nfs/dbraw/zinc/54/56/58/1047545658.db2.gz RKZHEBWZOFTJSC-INIZCTEOSA-N 1 0 324.424 4.268 20 30 DIEDRO C#CC[C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000843423937 1047549833 /nfs/dbraw/zinc/54/98/33/1047549833.db2.gz MBNUAPDHDYSYKJ-CYBMUJFWSA-N 1 0 302.468 4.107 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001149204841 1047557410 /nfs/dbraw/zinc/55/74/10/1047557410.db2.gz IJOIOFCDXFVECA-RCCFBDPRSA-N 1 0 322.537 4.362 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1C ZINC000926903388 1047578724 /nfs/dbraw/zinc/57/87/24/1047578724.db2.gz UMLHHEFCDBRZIL-LIRRHRJNSA-N 1 0 306.409 4.213 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccc(-c2nc(CC)no2)cc1 ZINC000537977420 1047648995 /nfs/dbraw/zinc/64/89/95/1047648995.db2.gz HJFZYJIXJHOOPN-QGZVFWFLSA-N 1 0 313.445 4.176 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccoc1 ZINC000537979814 1047649916 /nfs/dbraw/zinc/64/99/16/1047649916.db2.gz XEJKNOGCPHRXMV-RWBZWWBESA-N 1 0 310.397 4.192 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000538158200 1047660117 /nfs/dbraw/zinc/66/01/17/1047660117.db2.gz COJFJAZJJUQRGD-HOTGVXAUSA-N 1 0 315.379 4.319 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000538158202 1047660207 /nfs/dbraw/zinc/66/02/07/1047660207.db2.gz COJFJAZJJUQRGD-JKSUJKDBSA-N 1 0 315.379 4.319 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)c1 ZINC000538126980 1047660668 /nfs/dbraw/zinc/66/06/68/1047660668.db2.gz VJPPHMHNHQKDGH-MRXNPFEDSA-N 1 0 311.400 4.315 20 30 DIEDRO CCc1cccc2c(C3CC[NH+](CC4(C#N)CC4)CC3)c[nH]c21 ZINC000538311935 1047668567 /nfs/dbraw/zinc/66/85/67/1047668567.db2.gz HNYLMIRIWVZDIF-UHFFFAOYSA-N 1 0 307.441 4.213 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000538394050 1047674149 /nfs/dbraw/zinc/67/41/49/1047674149.db2.gz MHBKDJUOSBIWCC-STQMWFEESA-N 1 0 300.352 4.291 20 30 DIEDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(C#N)s2)o1 ZINC000538721771 1047701263 /nfs/dbraw/zinc/70/12/63/1047701263.db2.gz CRNVOMPAYCAVQM-MLGOLLRUSA-N 1 0 300.427 4.494 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1ccc(C#N)o1 ZINC000538752461 1047708612 /nfs/dbraw/zinc/70/86/12/1047708612.db2.gz MPNMFVYHRFEWEQ-QWHCGFSZSA-N 1 0 302.805 4.429 20 30 DIEDRO Clc1ccc(C#CC[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000538946418 1047720421 /nfs/dbraw/zinc/72/04/21/1047720421.db2.gz YVLNTZOUTJLSDK-UHFFFAOYSA-N 1 0 324.855 4.041 20 30 DIEDRO Cc1cc(N2CCC(c3ccc(C#N)cc3)CC2)nc(C(C)C)n1 ZINC001156766420 1047721657 /nfs/dbraw/zinc/72/16/57/1047721657.db2.gz YFMXFQLEYNGVJN-UHFFFAOYSA-N 1 0 320.440 4.164 20 30 DIEDRO CSCc1ccnc(N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001156765708 1047722068 /nfs/dbraw/zinc/72/20/68/1047722068.db2.gz FHXCVQVHOODGJA-UHFFFAOYSA-N 1 0 323.465 4.200 20 30 DIEDRO CC(C)n1ccc2c1ncnc2N[C@@H](C)c1cccc(C#N)c1 ZINC001156876370 1047726152 /nfs/dbraw/zinc/72/61/52/1047726152.db2.gz WDQUGUOULKKSDZ-ZDUSSCGKSA-N 1 0 305.385 4.057 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000539087386 1047734821 /nfs/dbraw/zinc/73/48/21/1047734821.db2.gz JOCRWWVTSDVSJJ-CQSZACIVSA-N 1 0 320.845 4.393 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000539081957 1047734929 /nfs/dbraw/zinc/73/49/29/1047734929.db2.gz BWEQQNDNLNSUGE-STQMWFEESA-N 1 0 307.388 4.164 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000539219057 1047742998 /nfs/dbraw/zinc/74/29/98/1047742998.db2.gz BUOIFJCGFJQQNK-ZDUSSCGKSA-N 1 0 319.326 4.129 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000237498557 1047744410 /nfs/dbraw/zinc/74/44/10/1047744410.db2.gz ODUZFDPXYLAPFO-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO CC(C)Oc1cc[nH+]c(N2CCC(C#Cc3ccccc3)CC2)c1 ZINC001157528588 1047745207 /nfs/dbraw/zinc/74/52/07/1047745207.db2.gz RFAKURWYBCSIRO-UHFFFAOYSA-N 1 0 320.436 4.137 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NCCCCC#N)nc1 ZINC001157642636 1047747823 /nfs/dbraw/zinc/74/78/23/1047747823.db2.gz AXOZGOWPNIAHLD-QGZVFWFLSA-N 1 0 300.450 4.124 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000237501898 1047782169 /nfs/dbraw/zinc/78/21/69/1047782169.db2.gz FSBYVGOZPSEFPL-MGPUTAFESA-N 1 0 306.409 4.145 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC001158609761 1047791354 /nfs/dbraw/zinc/79/13/54/1047791354.db2.gz DJGNJELNMPPPBD-IBGZPJMESA-N 1 0 312.457 4.455 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000552757110 1047792974 /nfs/dbraw/zinc/79/29/74/1047792974.db2.gz XCOGXQBYGURNAF-HUUCEWRRSA-N 1 0 300.446 4.357 20 30 DIEDRO N#Cc1cc(Cc2ccccc2)sc1N=C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159129919 1047814285 /nfs/dbraw/zinc/81/42/85/1047814285.db2.gz HBIWAAOBQYOOKE-CVEARBPZSA-N 1 0 321.449 4.031 20 30 DIEDRO N#Cc1cc(Cc2ccccc2)sc1NC=CC1CC[NH2+]CC1 ZINC001159130116 1047814680 /nfs/dbraw/zinc/81/46/80/1047814680.db2.gz LXVUPUZYQNTBMW-DHZHZOJOSA-N 1 0 323.465 4.136 20 30 DIEDRO Cc1cc(F)cc(Nc2sc3c(c2C#N)CC[NH2+]C3)c1Cl ZINC001159157221 1047817228 /nfs/dbraw/zinc/81/72/28/1047817228.db2.gz DIJOQQPYRFKOQG-UHFFFAOYSA-N 1 0 321.808 4.110 20 30 DIEDRO N#Cc1c2c(sc1Nc1c(F)cccc1C1CC1)C[NH2+]CC2 ZINC001159157963 1047817253 /nfs/dbraw/zinc/81/72/53/1047817253.db2.gz VDSWHTWSAXAOJY-UHFFFAOYSA-N 1 0 313.401 4.026 20 30 DIEDRO N#Cc1cc(-c2ccccc2)oc1Nc1cccc2c1CC[NH2+]C2 ZINC001159219209 1047821532 /nfs/dbraw/zinc/82/15/32/1047821532.db2.gz FGOTVGGLQBIDLX-UHFFFAOYSA-N 1 0 315.376 4.208 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000553176406 1047829328 /nfs/dbraw/zinc/82/93/28/1047829328.db2.gz AQLZUNJJQAPMII-SFHVURJKSA-N 1 0 301.474 4.455 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479068836 1047834135 /nfs/dbraw/zinc/83/41/35/1047834135.db2.gz OXOTXTIOOZSXHP-LJQANCHMSA-N 1 0 322.443 4.292 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]CCCCC#N)c2cc(Br)ccc21 ZINC000479076116 1047836124 /nfs/dbraw/zinc/83/61/24/1047836124.db2.gz JOWIHNLXPNPOSS-OAHLLOKOSA-N 1 0 321.262 4.455 20 30 DIEDRO Cc1ccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@H]([NH3+])C2)c(C#N)c1 ZINC001159391070 1047838962 /nfs/dbraw/zinc/83/89/62/1047838962.db2.gz PWTCTTMJFSEXIF-INMHGKMJSA-N 1 0 320.440 4.236 20 30 DIEDRO Cc1ccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@H]([NH3+])C2)cc1C#N ZINC001159387712 1047839070 /nfs/dbraw/zinc/83/90/70/1047839070.db2.gz UMVHKBPCDNADLZ-UNEWFSDZSA-N 1 0 320.440 4.236 20 30 DIEDRO Cc1ccc(Nc2cnccc2[C@H]2C[C@H]([NH3+])C[C@@H](C)C2)cc1C#N ZINC001159387713 1047839295 /nfs/dbraw/zinc/83/92/95/1047839295.db2.gz UMVHKBPCDNADLZ-YSVLISHTSA-N 1 0 320.440 4.236 20 30 DIEDRO N#Cc1cc(Nc2ccccc2C(F)(F)F)cc(C2C[NH2+]C2)c1 ZINC001159421956 1047841414 /nfs/dbraw/zinc/84/14/14/1047841414.db2.gz QVZRQSCGZDTYQV-UHFFFAOYSA-N 1 0 317.314 4.007 20 30 DIEDRO Cc1ccc2ccccc2c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159430239 1047843602 /nfs/dbraw/zinc/84/36/02/1047843602.db2.gz JSHNXBFLWFDCQC-UHFFFAOYSA-N 1 0 313.404 4.450 20 30 DIEDRO N#Cc1ccc(-c2ccc(NC=CC3CC[NH2+]CC3)cc2)cc1 ZINC001159430016 1047843692 /nfs/dbraw/zinc/84/36/92/1047843692.db2.gz DQFCVGOGEASEBU-SDNWHVSQSA-N 1 0 303.409 4.150 20 30 DIEDRO CCCCOc1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001159470858 1047850597 /nfs/dbraw/zinc/85/05/97/1047850597.db2.gz OTJSDNLUYPJVMA-UHFFFAOYSA-N 1 0 321.424 4.168 20 30 DIEDRO CCc1cc(C#N)ccc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159490100 1047854143 /nfs/dbraw/zinc/85/41/43/1047854143.db2.gz KPAVYHKDOSIKPE-UHFFFAOYSA-N 1 0 305.425 4.331 20 30 DIEDRO Cc1c[nH+]ccc1Nc1cc(C(F)(F)F)c(C#N)cc1Cl ZINC001174538801 1047866333 /nfs/dbraw/zinc/86/63/33/1047866333.db2.gz RFPSDDONWDAYKH-UHFFFAOYSA-N 1 0 311.694 4.099 20 30 DIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(C2CC2)c2ccccc12 ZINC001183076123 1047882280 /nfs/dbraw/zinc/88/22/80/1047882280.db2.gz RQJGKDORQRCFSG-UHFFFAOYSA-N 1 0 320.436 4.308 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC001183065798 1047887089 /nfs/dbraw/zinc/88/70/89/1047887089.db2.gz PGOMAOIWLBHOPH-GOSISDBHSA-N 1 0 309.457 4.196 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCc2ccc(F)c(F)c2)c(F)c1 ZINC000479414768 1047887407 /nfs/dbraw/zinc/88/74/07/1047887407.db2.gz GHORFYZKWVSCGP-UHFFFAOYSA-N 1 0 318.342 4.088 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(Cc3ccccc3)CC2)cc1OC ZINC000479413885 1047888522 /nfs/dbraw/zinc/88/85/22/1047888522.db2.gz WRTFZTYSDUBFDB-UHFFFAOYSA-N 1 0 323.436 4.125 20 30 DIEDRO CCCCCCOc1ccc(CN2CC[C@](C)(C#N)C2)cc1 ZINC001204368938 1047891159 /nfs/dbraw/zinc/89/11/59/1047891159.db2.gz KCKBQMDNIVAWLD-LJQANCHMSA-N 1 0 300.446 4.381 20 30 DIEDRO COc1cccc([C@@]2(C)CC[N@H+](Cc3ccc(C#N)cc3C)C2)c1 ZINC001174575831 1047891929 /nfs/dbraw/zinc/89/19/29/1047891929.db2.gz ZCWAVMKPKBCZCD-NRFANRHFSA-N 1 0 320.436 4.039 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OCc2ccccn2)cc1)C(C)(C)C ZINC001174631199 1047915275 /nfs/dbraw/zinc/91/52/75/1047915275.db2.gz KKEXKPFRMRNIGT-UHFFFAOYSA-N 1 0 310.441 4.447 20 30 DIEDRO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)C ZINC001174641063 1047916757 /nfs/dbraw/zinc/91/67/57/1047916757.db2.gz AKICSACHXPKVPJ-UHFFFAOYSA-N 1 0 316.323 4.400 20 30 DIEDRO C=CC[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001174641471 1047919043 /nfs/dbraw/zinc/91/90/43/1047919043.db2.gz IQDPUSMFJPTYBG-CQSZACIVSA-N 1 0 302.245 4.313 20 30 DIEDRO C[C@H]([NH2+]CCCc1ccccc1F)c1ccc(C#N)cc1F ZINC000479521929 1047919322 /nfs/dbraw/zinc/91/93/22/1047919322.db2.gz LOGMBAKUGGRCOB-ZDUSSCGKSA-N 1 0 300.352 4.120 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001183336136 1047921999 /nfs/dbraw/zinc/92/19/99/1047921999.db2.gz MSOOJACGBKYNKW-HUUCEWRRSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCCCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000479538428 1047921916 /nfs/dbraw/zinc/92/19/16/1047921916.db2.gz BUJRRQUYHVSOLC-KRWDZBQOSA-N 1 0 314.473 4.034 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc2c([nH]c1=O)CCCC2 ZINC001183428894 1047927498 /nfs/dbraw/zinc/92/74/98/1047927498.db2.gz MKXATFVQGUOFMV-HNNXBMFYSA-N 1 0 302.462 4.281 20 30 DIEDRO C#CC[N@@H+](CCCc1scnc1C)[C@H]1CCCc2ccccc21 ZINC001198103160 1047928098 /nfs/dbraw/zinc/92/80/98/1047928098.db2.gz DNBKVQVOKCYFQF-IBGZPJMESA-N 1 0 324.493 4.397 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC001198174486 1047931497 /nfs/dbraw/zinc/93/14/97/1047931497.db2.gz SGHZNKPPRGMPLS-QGZVFWFLSA-N 1 0 309.523 4.261 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccccc2F)CC2CC2)cc1F ZINC001174680594 1047931674 /nfs/dbraw/zinc/93/16/74/1047931674.db2.gz KCAOICPSZXAYJF-UHFFFAOYSA-N 1 0 312.363 4.249 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(N(C)C)cc1 ZINC000775830289 1047931742 /nfs/dbraw/zinc/93/17/42/1047931742.db2.gz HAOVWNRGVRIMHE-MRXNPFEDSA-N 1 0 321.468 4.405 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(N(C)C)cc1 ZINC000775830288 1047932539 /nfs/dbraw/zinc/93/25/39/1047932539.db2.gz HAOVWNRGVRIMHE-INIZCTEOSA-N 1 0 321.468 4.405 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001198211032 1047934229 /nfs/dbraw/zinc/93/42/29/1047934229.db2.gz ORVCFZMOYSVIEH-UHFFFAOYSA-N 1 0 310.482 4.044 20 30 DIEDRO COc1ccc(C[NH2+]CC[C@H](C)CCC=C(C)C)cc1C#N ZINC001183526252 1047935219 /nfs/dbraw/zinc/93/52/19/1047935219.db2.gz MAOQANBDCLTBOX-MRXNPFEDSA-N 1 0 300.446 4.429 20 30 DIEDRO C=C(Cl)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001198269720 1047943301 /nfs/dbraw/zinc/94/33/01/1047943301.db2.gz DQRRYGVYCHOEQG-CQSZACIVSA-N 1 0 314.654 4.209 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC001183652259 1047951236 /nfs/dbraw/zinc/95/12/36/1047951236.db2.gz PNTMSHFCIAGVOF-JWUVWSEFSA-N 1 0 322.496 4.136 20 30 DIEDRO C=CCC[C@H]1CCC[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC001198414692 1047953994 /nfs/dbraw/zinc/95/39/94/1047953994.db2.gz ZPTLGDWUYUOJBL-KRWDZBQOSA-N 1 0 321.468 4.292 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(Br)c1 ZINC001174771704 1047965964 /nfs/dbraw/zinc/96/59/64/1047965964.db2.gz UBIVAZAVYZOPOJ-GASCZTMLSA-N 1 0 310.210 4.271 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000774687361 1047970051 /nfs/dbraw/zinc/97/00/51/1047970051.db2.gz NQHUXIXBIBUSJA-YESZJQIVSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000774687354 1047970140 /nfs/dbraw/zinc/97/01/40/1047970140.db2.gz NQHUXIXBIBUSJA-GVDBMIGSSA-N 1 0 324.509 4.356 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC001198508966 1047970631 /nfs/dbraw/zinc/97/06/31/1047970631.db2.gz XBWLSKSYDJDDGN-QVKFZJNVSA-N 1 0 316.404 4.096 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC000479836685 1047982097 /nfs/dbraw/zinc/98/20/97/1047982097.db2.gz JONHYKNHYCZDSG-UHFFFAOYSA-N 1 0 303.409 4.061 20 30 DIEDRO C=CCC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001174819322 1047982179 /nfs/dbraw/zinc/98/21/79/1047982179.db2.gz ZDGBUSCZNNQFKW-AWEZNQCLSA-N 1 0 312.276 4.192 20 30 DIEDRO C[Si](C)(C)C#Cc1cccc(Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC001160199196 1047994157 /nfs/dbraw/zinc/99/41/57/1047994157.db2.gz IYGRUDMUSQLZGS-UHFFFAOYSA-N 1 0 306.485 4.262 20 30 DIEDRO C=C(C)CC[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001174845244 1047997390 /nfs/dbraw/zinc/99/73/90/1047997390.db2.gz KVQYNBVYIPZXKO-UHFFFAOYSA-N 1 0 317.477 4.338 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Oc2ccc(OC)cc2)cc1)C(C)C ZINC001184115967 1048001607 /nfs/dbraw/zinc/00/16/07/1048001607.db2.gz QVNAMCULQJYKHQ-UHFFFAOYSA-N 1 0 309.409 4.331 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001160235405 1048006428 /nfs/dbraw/zinc/00/64/28/1048006428.db2.gz VDTGEYLUSRNUHP-QGZVFWFLSA-N 1 0 321.424 4.050 20 30 DIEDRO Cc1ccc(Nc2ccc(OC3CC[NH2+]CC3)c(C)c2)cc1C#N ZINC001160234077 1048006453 /nfs/dbraw/zinc/00/64/53/1048006453.db2.gz CAXULMQDYAPMHR-UHFFFAOYSA-N 1 0 321.424 4.050 20 30 DIEDRO N#Cc1c(F)cc(F)cc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001160235880 1048006535 /nfs/dbraw/zinc/00/65/35/1048006535.db2.gz XMWXWUTVEFFTEF-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO N#Cc1c(F)c(F)cc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1F ZINC001160256216 1048012485 /nfs/dbraw/zinc/01/24/85/1048012485.db2.gz URJXWWQCRYNEHZ-AWEZNQCLSA-N 1 0 317.314 4.144 20 30 DIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(Br)cc1 ZINC001198943015 1048021201 /nfs/dbraw/zinc/02/12/01/1048021201.db2.gz ONXFMUSGTRUERV-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO CCCCCCN(O)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001184314820 1048022582 /nfs/dbraw/zinc/02/25/82/1048022582.db2.gz LXUCASMQOPOBQX-UHFFFAOYSA-N 1 0 318.461 4.084 20 30 DIEDRO CCc1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c(C)cc1C ZINC001160288466 1048024458 /nfs/dbraw/zinc/02/44/58/1048024458.db2.gz CSVAYCHKQYFRKC-UHFFFAOYSA-N 1 0 305.425 4.168 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001199052110 1048030532 /nfs/dbraw/zinc/03/05/32/1048030532.db2.gz CESMJODYGFPVDS-ZIFCJYIRSA-N 1 0 311.473 4.073 20 30 DIEDRO C=CCC[C@@H](CC)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001184427952 1048038935 /nfs/dbraw/zinc/03/89/35/1048038935.db2.gz DXFCTZYRWMDVOQ-OAHLLOKOSA-N 1 0 315.486 4.163 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C#N)CC(C)C)nc1 ZINC001160364318 1048039551 /nfs/dbraw/zinc/03/95/51/1048039551.db2.gz AERTZQVMIOXJOQ-QZTJIDSGSA-N 1 0 314.477 4.369 20 30 DIEDRO C[C@H](C[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)CO)c1ccccc1 ZINC000554279662 1048055746 /nfs/dbraw/zinc/05/57/46/1048055746.db2.gz QBDZGQPJBOMEOY-MSOLQXFVSA-N 1 0 316.489 4.193 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)N1CCCn2c(cc3ccccc32)C1 ZINC000554305161 1048060535 /nfs/dbraw/zinc/06/05/35/1048060535.db2.gz IYMIZXYJDSHXSL-INIZCTEOSA-N 1 0 315.420 4.480 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554359786 1048077777 /nfs/dbraw/zinc/07/77/77/1048077777.db2.gz RWBWZRSQYKPPGB-SJORKVTESA-N 1 0 300.446 4.152 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC001160826790 1048089162 /nfs/dbraw/zinc/08/91/62/1048089162.db2.gz GELMUWORJMCOKH-ZWKOTPCHSA-N 1 0 306.494 4.022 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1CNc1ccc2c(Cl)ccc(F)c2n1 ZINC001160957666 1048100401 /nfs/dbraw/zinc/10/04/01/1048100401.db2.gz OLESRBZPKSPMLN-LBPRGKRZSA-N 1 0 319.811 4.090 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@H+](CC)C[C@@H]1C ZINC001160999923 1048102490 /nfs/dbraw/zinc/10/24/90/1048102490.db2.gz DQBVPYZRQQRRKT-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO CC(C)(C[NH2+]C[C@H](C#N)CCC#N)c1c(Cl)cccc1Cl ZINC000554486720 1048111094 /nfs/dbraw/zinc/11/10/94/1048111094.db2.gz UCZLFYNSZUHDGH-LBPRGKRZSA-N 1 0 324.255 4.304 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]CC(C)(C)c2ccccc2)c1 ZINC000774814875 1048122457 /nfs/dbraw/zinc/12/24/57/1048122457.db2.gz PCWVXFMUYPXLMW-LJQANCHMSA-N 1 0 322.452 4.435 20 30 DIEDRO N#Cc1ccc(F)cc1NCCCCCCC[NH+]1CCCC1 ZINC001185045948 1048123842 /nfs/dbraw/zinc/12/38/42/1048123842.db2.gz BZPXEBSHGDSGJZ-UHFFFAOYSA-N 1 0 303.425 4.156 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000480343313 1048126635 /nfs/dbraw/zinc/12/66/35/1048126635.db2.gz SDXJJUNGSPQWOR-UHFFFAOYSA-N 1 0 323.436 4.330 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)N(C(C)C)[C@@H](C)c1ccccc1 ZINC001161443373 1048131116 /nfs/dbraw/zinc/13/11/16/1048131116.db2.gz RMMMSKRKHHYEPC-HKUYNNGSSA-N 1 0 316.489 4.448 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000554743464 1048172653 /nfs/dbraw/zinc/17/26/53/1048172653.db2.gz XVRRFSTVHQRUBY-FQEVSTJZSA-N 1 0 308.425 4.344 20 30 DIEDRO CN(C)/C=[NH+]/c1ccc(N[C@@H](c2ccccc2)C2CC2)cc1C#N ZINC001161961699 1048201152 /nfs/dbraw/zinc/20/11/52/1048201152.db2.gz KVIUBGFLZLNGOY-ISXGRJCASA-N 1 0 318.424 4.343 20 30 DIEDRO C[C@@H](C[N@H+](C)CCCOc1cccc(C#N)c1)C1CCCCC1 ZINC001175229236 1048205664 /nfs/dbraw/zinc/20/56/64/1048205664.db2.gz MIKINKHQPZXXNJ-KRWDZBQOSA-N 1 0 314.473 4.475 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000480667939 1048210711 /nfs/dbraw/zinc/21/07/11/1048210711.db2.gz SANWPAJLRNOOGF-ACJLOTCBSA-N 1 0 309.400 4.377 20 30 DIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(F)(F)F ZINC000480667763 1048210984 /nfs/dbraw/zinc/21/09/84/1048210984.db2.gz KLWFRSPBDFAKMC-JEYLPNPQSA-N 1 0 310.363 4.179 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(c3ccc(Cl)cc3)CC1)CC2 ZINC000555000560 1048250233 /nfs/dbraw/zinc/25/02/33/1048250233.db2.gz RNDBGRVVDDVSSR-GOSISDBHSA-N 1 0 308.812 4.478 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2cc(C#N)ccc2C(F)(F)F)c1 ZINC001201402879 1048251977 /nfs/dbraw/zinc/25/19/77/1048251977.db2.gz MFPGGNDJLXXXPM-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C#CCCCC[NH2+]Cc1cc(F)ccc1N(C)C[C@@H](C)CC ZINC001201406645 1048252136 /nfs/dbraw/zinc/25/21/36/1048252136.db2.gz FRPPNENKKDMNKZ-INIZCTEOSA-N 1 0 304.453 4.201 20 30 DIEDRO Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776165461 1048261319 /nfs/dbraw/zinc/26/13/19/1048261319.db2.gz QZJQSUVKCGCMAJ-ROUUACIJSA-N 1 0 322.452 4.488 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000776167344 1048266266 /nfs/dbraw/zinc/26/62/66/1048266266.db2.gz CQZLZKZKTLBMAV-HOTGVXAUSA-N 1 0 320.452 4.058 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCc2c(F)cccc2Cl)cc1 ZINC000774978888 1048267027 /nfs/dbraw/zinc/26/70/27/1048267027.db2.gz PDNXZALWXRJHIW-UHFFFAOYSA-N 1 0 302.780 4.073 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774988336 1048273445 /nfs/dbraw/zinc/27/34/45/1048273445.db2.gz DYFIZSWZEPZGHT-VIFPVBQESA-N 1 0 311.248 4.113 20 30 DIEDRO N#Cc1ccc(F)c(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001175365780 1048279382 /nfs/dbraw/zinc/27/93/82/1048279382.db2.gz BSGPNWWFLUXHPV-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=CCC1([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)CCCCC1 ZINC001175372133 1048282465 /nfs/dbraw/zinc/28/24/65/1048282465.db2.gz RKHHTONIKNQUEZ-UONOGXRCSA-N 1 0 305.384 4.355 20 30 DIEDRO C=CCC1([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)CCCCC1 ZINC001175372134 1048282627 /nfs/dbraw/zinc/28/26/27/1048282627.db2.gz RKHHTONIKNQUEZ-ZIAGYGMSSA-N 1 0 305.384 4.355 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000775006802 1048288488 /nfs/dbraw/zinc/28/84/88/1048288488.db2.gz CELMSQRBIWJWDK-HNNXBMFYSA-N 1 0 301.430 4.081 20 30 DIEDRO N#Cc1ccsc1N=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201470873 1048294737 /nfs/dbraw/zinc/29/47/37/1048294737.db2.gz XQVBYWRVCJNDAU-MSOLQXFVSA-N 1 0 321.449 4.352 20 30 DIEDRO N#Cc1ccc(-c2cccs2)nc1Nc1ccc(C[NH3+])c(F)c1 ZINC001162528178 1048296515 /nfs/dbraw/zinc/29/65/15/1048296515.db2.gz AAOGPHNWSKTMJP-UHFFFAOYSA-N 1 0 324.384 4.023 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3ccc(C#N)cc3F)cc2)CC1 ZINC001201566357 1048319648 /nfs/dbraw/zinc/31/96/48/1048319648.db2.gz BJJCAWXCZNRGMX-UHFFFAOYSA-N 1 0 309.388 4.250 20 30 DIEDRO COc1ccc(C#N)cc1Nc1ccccc1C[NH+]1CCCCC1 ZINC001201584381 1048323513 /nfs/dbraw/zinc/32/35/13/1048323513.db2.gz UUNHSHWVJXNYFI-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO CC#CC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001175486651 1048325064 /nfs/dbraw/zinc/32/50/64/1048325064.db2.gz XHFVOBGAPWMRJG-INIZCTEOSA-N 1 0 313.338 4.265 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001201630952 1048328523 /nfs/dbraw/zinc/32/85/23/1048328523.db2.gz JPFLIUMMCVWCOW-UHFFFAOYSA-N 1 0 317.539 4.026 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001201630519 1048328908 /nfs/dbraw/zinc/32/89/08/1048328908.db2.gz BUIJVIWHLLNZJH-UHFFFAOYSA-N 1 0 308.510 4.262 20 30 DIEDRO CC(C)[NH+](CCCNc1ncc(C#N)c2ccsc21)C(C)C ZINC001162693788 1048337311 /nfs/dbraw/zinc/33/73/11/1048337311.db2.gz RWONBZSDKHWBPT-UHFFFAOYSA-N 1 0 316.474 4.089 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(OCc2cccnc2)cc1 ZINC000555420871 1048343723 /nfs/dbraw/zinc/34/37/23/1048343723.db2.gz PRCAAXMSJMOFOF-FCEWJHQRSA-N 1 0 321.424 4.003 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001201762072 1048370050 /nfs/dbraw/zinc/37/00/50/1048370050.db2.gz XUJOLCQEFDPUFK-MRXNPFEDSA-N 1 0 315.844 4.281 20 30 DIEDRO CCCCCCC[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001201762769 1048370342 /nfs/dbraw/zinc/37/03/42/1048370342.db2.gz UGQWAXPHFRPWKX-GOSISDBHSA-N 1 0 309.494 4.007 20 30 DIEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001201762071 1048370693 /nfs/dbraw/zinc/37/06/93/1048370693.db2.gz XUJOLCQEFDPUFK-INIZCTEOSA-N 1 0 315.844 4.281 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001201762353 1048371073 /nfs/dbraw/zinc/37/10/73/1048371073.db2.gz HHPBEGBQHLUSLS-SFHVURJKSA-N 1 0 320.502 4.147 20 30 DIEDRO CCCCCCC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001201762439 1048371127 /nfs/dbraw/zinc/37/11/27/1048371127.db2.gz LEHHPGDFBOCZDO-UHFFFAOYSA-N 1 0 312.498 4.194 20 30 DIEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1OC ZINC001175568576 1048373579 /nfs/dbraw/zinc/37/35/79/1048373579.db2.gz ATTGTWOBXDTWNJ-GOSISDBHSA-N 1 0 313.828 4.441 20 30 DIEDRO CC[C@H]1CCCC[C@H]1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000600158954 1048373778 /nfs/dbraw/zinc/37/37/78/1048373778.db2.gz ONIAETQHAYNIRD-ROUUACIJSA-N 1 0 311.473 4.155 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000600158951 1048374243 /nfs/dbraw/zinc/37/42/43/1048374243.db2.gz ONIAETQHAYNIRD-MSOLQXFVSA-N 1 0 311.473 4.155 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201804730 1048375425 /nfs/dbraw/zinc/37/54/25/1048375425.db2.gz RLWOTYCKTATZCX-CABCVRRESA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201776811 1048376165 /nfs/dbraw/zinc/37/61/65/1048376165.db2.gz MEFVWDXVBRXEBM-QGZVFWFLSA-N 1 0 320.525 4.070 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccsc1C(F)(F)F ZINC000600155049 1048376659 /nfs/dbraw/zinc/37/66/59/1048376659.db2.gz AVYZPPZDCBCRSQ-CQSZACIVSA-N 1 0 322.355 4.416 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201776495 1048377544 /nfs/dbraw/zinc/37/75/44/1048377544.db2.gz DQGYZDKZFUNNRK-SJORKVTESA-N 1 0 321.534 4.010 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001201852885 1048381432 /nfs/dbraw/zinc/38/14/32/1048381432.db2.gz QQDZRSJKLOFDGG-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001201852798 1048382214 /nfs/dbraw/zinc/38/22/14/1048382214.db2.gz LVYMBNCXSVUZPJ-UHFFFAOYSA-N 1 0 310.526 4.364 20 30 DIEDRO C=CCC[N@@H+](C)Cc1nc2ccc(Br)cc2s1 ZINC000775106228 1048386708 /nfs/dbraw/zinc/38/67/08/1048386708.db2.gz FUYIJVZIVJPFAR-UHFFFAOYSA-N 1 0 311.248 4.067 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001201839398 1048386872 /nfs/dbraw/zinc/38/68/72/1048386872.db2.gz BKJOHQLCEVDLEE-SFHVURJKSA-N 1 0 314.473 4.077 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001201840309 1048387202 /nfs/dbraw/zinc/38/72/02/1048387202.db2.gz YAQLKLYJNNSYTJ-SFHVURJKSA-N 1 0 321.509 4.106 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001201839656 1048387307 /nfs/dbraw/zinc/38/73/07/1048387307.db2.gz OUNOKRMQRLVNMV-SFHVURJKSA-N 1 0 321.509 4.106 20 30 DIEDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001175642799 1048387540 /nfs/dbraw/zinc/38/75/40/1048387540.db2.gz AMTFJIFCHKSBGZ-SFHVURJKSA-N 1 0 313.401 4.011 20 30 DIEDRO CCCCCCCCC[NH+]1CC(N2CCC(F)(F)CC2)C1 ZINC001201845896 1048387966 /nfs/dbraw/zinc/38/79/66/1048387966.db2.gz AAMGGCWZCGVHAD-UHFFFAOYSA-N 1 0 302.453 4.152 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201839390 1048388365 /nfs/dbraw/zinc/38/83/65/1048388365.db2.gz MQPDWXRIDFUWBL-HUUCEWRRSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(Oc2ncccn2)CC1 ZINC001201847000 1048388906 /nfs/dbraw/zinc/38/89/06/1048388906.db2.gz QRGGAFSHTQSKDE-UHFFFAOYSA-N 1 0 305.466 4.070 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(C)(C(=O)N2CCCC2)CC1 ZINC001201846998 1048389076 /nfs/dbraw/zinc/38/90/76/1048389076.db2.gz QRFZVCMZSUYRIC-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)c1 ZINC000776220183 1048391829 /nfs/dbraw/zinc/39/18/29/1048391829.db2.gz LLZSDMYLNHLHBY-UHFFFAOYSA-N 1 0 324.399 4.219 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000600206372 1048392558 /nfs/dbraw/zinc/39/25/58/1048392558.db2.gz WEXXQASDONQUIB-UHFFFAOYSA-N 1 0 310.363 4.393 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(C#N)(C(=O)OCC)CC1 ZINC001201875312 1048392953 /nfs/dbraw/zinc/39/29/53/1048392953.db2.gz VFEVTRIXNMOYTQ-UHFFFAOYSA-N 1 0 322.493 4.296 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCc2onc(COC)c2C1 ZINC001201874779 1048393383 /nfs/dbraw/zinc/39/33/83/1048393383.db2.gz GBJDPNIZUBGPPU-UHFFFAOYSA-N 1 0 308.466 4.320 20 30 DIEDRO CCCCCCCCCC[N@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001201875281 1048393589 /nfs/dbraw/zinc/39/35/89/1048393589.db2.gz TXOAUNSSKJNWPP-GOSISDBHSA-N 1 0 321.509 4.102 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(c2nncn2C)CC1 ZINC001201874721 1048393696 /nfs/dbraw/zinc/39/36/96/1048393696.db2.gz DOEMGMXKIYSTRO-UHFFFAOYSA-N 1 0 306.498 4.135 20 30 DIEDRO CCCCCCCCCC[N@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001201875282 1048393865 /nfs/dbraw/zinc/39/38/65/1048393865.db2.gz TXOAUNSSKJNWPP-SFHVURJKSA-N 1 0 321.509 4.102 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000555592113 1048397816 /nfs/dbraw/zinc/39/78/16/1048397816.db2.gz MGRMLBLLSGNWCB-MJGOQNOKSA-N 1 0 300.490 4.231 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(F)c(F)c1 ZINC000481589683 1048434643 /nfs/dbraw/zinc/43/46/43/1048434643.db2.gz ARMHCERSUVKOQM-IBGZPJMESA-N 1 0 316.395 4.438 20 30 DIEDRO C=CC[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000555773321 1048437061 /nfs/dbraw/zinc/43/70/61/1048437061.db2.gz MCBLLJDXEIPPOM-UHFFFAOYSA-N 1 0 302.418 4.412 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(N[C@@H]2C[NH2+]Cc3ccsc32)cc1 ZINC001163228606 1048440518 /nfs/dbraw/zinc/44/05/18/1048440518.db2.gz LPCBJAWILJIVPH-IAGOWNOFSA-N 1 0 311.454 4.268 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000481667251 1048451049 /nfs/dbraw/zinc/45/10/49/1048451049.db2.gz JTCDFBBFFDQNKP-NVXWUHKLSA-N 1 0 304.384 4.493 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[C@@H]2C)cc1OC ZINC001202136296 1048459949 /nfs/dbraw/zinc/45/99/49/1048459949.db2.gz YBZPPGWMPLLBGS-DZGCQCFKSA-N 1 0 323.864 4.439 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[C@H]2C)cc1OC ZINC001202136299 1048460121 /nfs/dbraw/zinc/46/01/21/1048460121.db2.gz YBZPPGWMPLLBGS-UKRRQHHQSA-N 1 0 323.864 4.439 20 30 DIEDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000555975379 1048495960 /nfs/dbraw/zinc/49/59/60/1048495960.db2.gz NMGREJZHCJFHII-INIZCTEOSA-N 1 0 322.493 4.150 20 30 DIEDRO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001202241701 1048501674 /nfs/dbraw/zinc/50/16/74/1048501674.db2.gz HSIPFUSMDZADTH-IIBYNOLFSA-N 1 0 304.437 4.404 20 30 DIEDRO Cc1cc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)ccc1CC#N ZINC001163683514 1048503264 /nfs/dbraw/zinc/50/32/64/1048503264.db2.gz DUSSNHWXEPUSDT-UHFFFAOYSA-N 1 0 317.314 4.117 20 30 DIEDRO COc1c(C)cccc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163684470 1048504155 /nfs/dbraw/zinc/50/41/55/1048504155.db2.gz YWHZEWRYCUCVDQ-UHFFFAOYSA-N 1 0 308.303 4.059 20 30 DIEDRO [NH2+]=C(Nc1ccc2ccoc2c1)c1ccc(C(F)(F)F)cc1 ZINC001163684440 1048504323 /nfs/dbraw/zinc/50/43/23/1048504323.db2.gz XNEFKSWCUOEYNH-UHFFFAOYSA-N 1 0 304.271 4.489 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCc2cccc(O)c2)cc1 ZINC001163708566 1048508048 /nfs/dbraw/zinc/50/80/48/1048508048.db2.gz MZOXWPKTBAXDJL-OAQYLSRUSA-N 1 0 322.452 4.370 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](CCC(C)C)C2)ccc1C#N ZINC001202298548 1048515819 /nfs/dbraw/zinc/51/58/19/1048515819.db2.gz CGERRBGJEIWVKZ-MAUKXSAKSA-N 1 0 300.446 4.261 20 30 DIEDRO N#Cc1c[nH]c2ncc(NC(=[NH2+])C34CC5CC(CC(C5)C3)C4)cc12 ZINC001163848010 1048537500 /nfs/dbraw/zinc/53/75/00/1048537500.db2.gz HTZMGRGVEPPZQI-UHFFFAOYSA-N 1 0 319.412 4.040 20 30 DIEDRO COc1cc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)ccc1CC#N ZINC001163848743 1048538262 /nfs/dbraw/zinc/53/82/62/1048538262.db2.gz WDFSMRQYMIZELK-UHFFFAOYSA-N 1 0 323.440 4.367 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC001176035779 1048539044 /nfs/dbraw/zinc/53/90/44/1048539044.db2.gz CJAARSAHEJHCSG-OXJNMPFZSA-N 1 0 306.409 4.020 20 30 DIEDRO CCCc1cccc(CN2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000481980951 1048540652 /nfs/dbraw/zinc/54/06/52/1048540652.db2.gz AVXTUUWFPHNBRE-NRFANRHFSA-N 1 0 320.436 4.084 20 30 DIEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC001202382142 1048540727 /nfs/dbraw/zinc/54/07/27/1048540727.db2.gz UXWIKFKSSPLAJQ-MRXNPFEDSA-N 1 0 301.455 4.140 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1Cc2ccccc2C1 ZINC000482004629 1048542399 /nfs/dbraw/zinc/54/23/99/1048542399.db2.gz JJCCSOGIPNXEPY-OAQYLSRUSA-N 1 0 302.421 4.083 20 30 DIEDRO Cc1cc(-n2c(C[NH3+])cc3cc(Cl)ccc32)ccc1CC#N ZINC001163902274 1048548185 /nfs/dbraw/zinc/54/81/85/1048548185.db2.gz LGBIIFKOKPEYER-UHFFFAOYSA-N 1 0 309.800 4.117 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000482070964 1048552296 /nfs/dbraw/zinc/55/22/96/1048552296.db2.gz GJECYJRWUNUAHA-SDRHGIJQSA-N 1 0 306.812 4.339 20 30 DIEDRO N#Cc1ccc(OCc2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC001188787706 1048555950 /nfs/dbraw/zinc/55/59/50/1048555950.db2.gz GIQRZPBNHTZZLG-UHFFFAOYSA-N 1 0 324.399 4.262 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)C2CCCCC2)cc1 ZINC000775207211 1048567433 /nfs/dbraw/zinc/56/74/33/1048567433.db2.gz SDJFESOVPZIPJG-CVEARBPZSA-N 1 0 300.446 4.378 20 30 DIEDRO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CCOCCC#N)cc1 ZINC000338917621 1048577410 /nfs/dbraw/zinc/57/74/10/1048577410.db2.gz XYAPNQLBFIGEIS-GOSISDBHSA-N 1 0 300.446 4.051 20 30 DIEDRO CCC[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCCc2cccnc21 ZINC000482275008 1048583307 /nfs/dbraw/zinc/58/33/07/1048583307.db2.gz GLOPRMMKYGRWNO-QGZVFWFLSA-N 1 0 311.454 4.304 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC001176226201 1048609148 /nfs/dbraw/zinc/60/91/48/1048609148.db2.gz DTKDPEVAPCRDID-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO CCc1cccc2cc(C[NH2+]Cc3ccc(OCC#N)cc3)oc21 ZINC000850121301 1048617459 /nfs/dbraw/zinc/61/74/59/1048617459.db2.gz QWDBITVEGFVQLD-UHFFFAOYSA-N 1 0 320.392 4.187 20 30 DIEDRO CCC(CC)(C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)SC ZINC000850166440 1048620747 /nfs/dbraw/zinc/62/07/47/1048620747.db2.gz WWHDHSOPYUQQRB-UHFFFAOYSA-N 1 0 302.487 4.253 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2cc(C(F)(F)F)ccc2C#N)cc1 ZINC001176293827 1048622212 /nfs/dbraw/zinc/62/22/12/1048622212.db2.gz VLKJVHKLWKMVCH-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C3(C#N)CC3)cc1)CCC2 ZINC000850238788 1048626391 /nfs/dbraw/zinc/62/63/91/1048626391.db2.gz BVWWYTAGFJKDTQ-MRXNPFEDSA-N 1 0 323.465 4.174 20 30 DIEDRO C[C@@H](COCC1CCCCC1)[NH2+]CCCCC1(C#N)CCC1 ZINC001176345130 1048636448 /nfs/dbraw/zinc/63/64/48/1048636448.db2.gz KVKFOXPZLZFZHT-KRWDZBQOSA-N 1 0 306.494 4.426 20 30 DIEDRO C=CCCC1(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CCCC1 ZINC000850351992 1048636766 /nfs/dbraw/zinc/63/67/66/1048636766.db2.gz KYUCMZTVBBTDGF-KBPBESRZSA-N 1 0 305.384 4.213 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C1CCC(F)CC1 ZINC000850396357 1048646713 /nfs/dbraw/zinc/64/67/13/1048646713.db2.gz UOFORIFSGHMEOQ-ZLPCBKJTSA-N 1 0 317.452 4.043 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775274549 1048647449 /nfs/dbraw/zinc/64/74/49/1048647449.db2.gz OTJLEZXKRPHARK-HZPDHXFCSA-N 1 0 300.446 4.209 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1 ZINC000850427956 1048653628 /nfs/dbraw/zinc/65/36/28/1048653628.db2.gz IKPBLEXFZNBUDJ-HUUCEWRRSA-N 1 0 306.409 4.295 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)o1 ZINC001204393161 1048655353 /nfs/dbraw/zinc/65/53/53/1048655353.db2.gz QSPYZAIZEKAEMO-UHFFFAOYSA-N 1 0 308.425 4.168 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)c1ccncc1 ZINC000850435261 1048655516 /nfs/dbraw/zinc/65/55/16/1048655516.db2.gz KQBDRORIPCPFBO-DNVCBOLYSA-N 1 0 308.425 4.375 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000850438270 1048655637 /nfs/dbraw/zinc/65/56/37/1048655637.db2.gz DDXIXTBMVVGSPF-LSDHHAIUSA-N 1 0 306.409 4.295 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@H]3COC4(CCC4)C3)c2)s1 ZINC000850437870 1048656386 /nfs/dbraw/zinc/65/63/86/1048656386.db2.gz UKHLOAHPQFMRJK-MRXNPFEDSA-N 1 0 324.449 4.088 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)C(C)(C)C(F)F)c1 ZINC000850442092 1048657823 /nfs/dbraw/zinc/65/78/23/1048657823.db2.gz AMZCKVNEZXFHOH-TZMCWYRMSA-N 1 0 310.388 4.137 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)c1ccccc1 ZINC000850447792 1048660133 /nfs/dbraw/zinc/66/01/33/1048660133.db2.gz JTZJPWNEFHJGSO-OXQOHEQNSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccccc1 ZINC000850447790 1048660817 /nfs/dbraw/zinc/66/08/17/1048660817.db2.gz JTZJPWNEFHJGSO-JXFKEZNVSA-N 1 0 305.421 4.427 20 30 DIEDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC001176365428 1048661979 /nfs/dbraw/zinc/66/19/79/1048661979.db2.gz PTNHBWAJSAPUIZ-DNVCBOLYSA-N 1 0 308.400 4.465 20 30 DIEDRO C#CCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC001176431474 1048669896 /nfs/dbraw/zinc/66/98/96/1048669896.db2.gz GAEJDIFFNNRVSD-UHFFFAOYSA-N 1 0 306.793 4.064 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(Br)ccc2F)CCCCC1 ZINC001176431249 1048670213 /nfs/dbraw/zinc/67/02/13/1048670213.db2.gz BOYNQVRDUPZCSU-UHFFFAOYSA-N 1 0 324.237 4.404 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC2CC(OC)C2)cc1 ZINC000850482159 1048670990 /nfs/dbraw/zinc/67/09/90/1048670990.db2.gz PWWXSKMCMQFSSP-SYJJWHGVSA-N 1 0 323.864 4.284 20 30 DIEDRO CC(C)c1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000775329822 1048671899 /nfs/dbraw/zinc/67/18/99/1048671899.db2.gz SQWJXDSRPFSGJP-MRXNPFEDSA-N 1 0 308.425 4.391 20 30 DIEDRO CC(C)c1cccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000775341415 1048692984 /nfs/dbraw/zinc/69/29/84/1048692984.db2.gz OPSRYLSLOIYHRT-UHFFFAOYSA-N 1 0 321.468 4.450 20 30 DIEDRO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850572798 1048699130 /nfs/dbraw/zinc/69/91/30/1048699130.db2.gz GTLJDWPFEOYNEN-ZSGPHXLJSA-N 1 0 320.864 4.070 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCc2c1cccc2OC ZINC000482901836 1048699993 /nfs/dbraw/zinc/69/99/93/1048699993.db2.gz ODAYDULUUDIOOV-SFHVURJKSA-N 1 0 309.409 4.037 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000924782109 1048703679 /nfs/dbraw/zinc/70/36/79/1048703679.db2.gz MHQDBQLMQIOMDX-BPQIPLTHSA-N 1 0 300.446 4.072 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(C)CCCCCC2)cc1 ZINC000776497413 1048720581 /nfs/dbraw/zinc/72/05/81/1048720581.db2.gz IEVYBBFCHCYCRX-INIZCTEOSA-N 1 0 300.446 4.428 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000775382640 1048731241 /nfs/dbraw/zinc/73/12/41/1048731241.db2.gz ZAHVMXBRPRGWHG-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000483098976 1048734075 /nfs/dbraw/zinc/73/40/75/1048734075.db2.gz DTQVLPFXJLOSAC-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO CC(C)[N@H+](CCc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC001190436467 1048739746 /nfs/dbraw/zinc/73/97/46/1048739746.db2.gz GDDABJYFZABOOW-UHFFFAOYSA-N 1 0 321.468 4.077 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(Br)cc1 ZINC000160803454 1048757749 /nfs/dbraw/zinc/75/77/49/1048757749.db2.gz HISWAWFDRLRZKM-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO CO[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)c1ccccc1 ZINC001190615946 1048758860 /nfs/dbraw/zinc/75/88/60/1048758860.db2.gz KBERDNSIYPHLMZ-NRFANRHFSA-N 1 0 322.452 4.404 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000483258184 1048765313 /nfs/dbraw/zinc/76/53/13/1048765313.db2.gz SQEWZFVERACVEN-VQTJNVASSA-N 1 0 307.441 4.055 20 30 DIEDRO Cc1cccc([C@@H]2CCCC[N@H+]2Cc2cc(C#N)n(C)c2)c1C ZINC000483282618 1048770055 /nfs/dbraw/zinc/77/00/55/1048770055.db2.gz QFNAKBHNQGXBOF-FQEVSTJZSA-N 1 0 307.441 4.241 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1ccccc1 ZINC000775401222 1048770298 /nfs/dbraw/zinc/77/02/98/1048770298.db2.gz WUIUSWYZELGDMA-MRXNPFEDSA-N 1 0 301.336 4.142 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)cc1C#N ZINC000483291790 1048773178 /nfs/dbraw/zinc/77/31/78/1048773178.db2.gz RTOJDRZAAFMWEM-OAQYLSRUSA-N 1 0 315.420 4.387 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2CC2CCCCC2)c1 ZINC001190643963 1048773792 /nfs/dbraw/zinc/77/37/92/1048773792.db2.gz REDGRZAHIIDOEL-LJQANCHMSA-N 1 0 312.457 4.372 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(NCC2CC[NH+](C(C)C)CC2)cc1 ZINC001166623582 1048773814 /nfs/dbraw/zinc/77/38/14/1048773814.db2.gz PXMWHRZYMXNSRY-HXUWFJFHSA-N 1 0 313.489 4.482 20 30 DIEDRO C=CC[N@H+](CC/C=C\c1cncc(OC)c1)CCc1ccccc1 ZINC001190707443 1048776037 /nfs/dbraw/zinc/77/60/37/1048776037.db2.gz IBRBOBFHDXQQBQ-XFFZJAGNSA-N 1 0 322.452 4.224 20 30 DIEDRO C=C(CC)C[N@@H+](CC)Cc1cc(Br)ccc1F ZINC001190761857 1048779695 /nfs/dbraw/zinc/77/96/95/1048779695.db2.gz UVUPHGHIYQQIRC-UHFFFAOYSA-N 1 0 300.215 4.376 20 30 DIEDRO COc1ccc(C[C@@H](C)[N@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC001190753260 1048783159 /nfs/dbraw/zinc/78/31/59/1048783159.db2.gz RPSMVJZMEHSMIY-QGZVFWFLSA-N 1 0 314.473 4.422 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC001176709919 1048783314 /nfs/dbraw/zinc/78/33/14/1048783314.db2.gz MFUZQRGBAJJIKG-UHFFFAOYSA-N 1 0 317.399 4.468 20 30 DIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)C1CCCCCCC1 ZINC001190781777 1048785229 /nfs/dbraw/zinc/78/52/29/1048785229.db2.gz YKYRXOOZZGKVHX-UHFFFAOYSA-N 1 0 300.446 4.372 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001190819397 1048788084 /nfs/dbraw/zinc/78/80/84/1048788084.db2.gz UQMKMUFIEQLMFZ-UHFFFAOYSA-N 1 0 313.489 4.431 20 30 DIEDRO COCC[N@H+](CC[C@H]1CCC[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC001190801914 1048788711 /nfs/dbraw/zinc/78/87/11/1048788711.db2.gz NXYDFEYHMKQGNV-QZTJIDSGSA-N 1 0 314.473 4.223 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001176771765 1048789687 /nfs/dbraw/zinc/78/96/87/1048789687.db2.gz URCJVGNNKHOQHO-MRXNPFEDSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001176771235 1048789900 /nfs/dbraw/zinc/78/99/00/1048789900.db2.gz IRTXZOWHBASGRP-OAHLLOKOSA-N 1 0 306.837 4.018 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC001176771593 1048789961 /nfs/dbraw/zinc/78/99/61/1048789961.db2.gz NFQLBETXAIBIKC-INIZCTEOSA-N 1 0 318.486 4.391 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC001176798689 1048794276 /nfs/dbraw/zinc/79/42/76/1048794276.db2.gz WGKAUUHTFSUXNV-HZPDHXFCSA-N 1 0 320.502 4.088 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(C)c1 ZINC001203729488 1048795490 /nfs/dbraw/zinc/79/54/90/1048795490.db2.gz OJDWPODHFMCDCG-UHFFFAOYSA-N 1 0 304.437 4.361 20 30 DIEDRO CCCCCCC[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001190924715 1048798408 /nfs/dbraw/zinc/79/84/08/1048798408.db2.gz MVOCRMROSPANFK-SFHVURJKSA-N 1 0 318.505 4.344 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC001176904008 1048806679 /nfs/dbraw/zinc/80/66/79/1048806679.db2.gz MIHYKNWHMNNPPF-QZTJIDSGSA-N 1 0 308.510 4.212 20 30 DIEDRO N#CCCc1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC001166901444 1048810240 /nfs/dbraw/zinc/81/02/40/1048810240.db2.gz QHXFBKASUPFIJL-OAQYLSRUSA-N 1 0 319.452 4.392 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC=CC12CCCCC2 ZINC001176995703 1048812701 /nfs/dbraw/zinc/81/27/01/1048812701.db2.gz NOCDQMAOZAMLMH-UHFFFAOYSA-N 1 0 316.832 4.317 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1ccc(C#N)cc1 ZINC000924787681 1048819034 /nfs/dbraw/zinc/81/90/34/1048819034.db2.gz XTRXYAKIHREXDR-SJCJKPOMSA-N 1 0 311.816 4.335 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483578164 1048820187 /nfs/dbraw/zinc/82/01/87/1048820187.db2.gz HXFQOSLLYODDAM-HXUWFJFHSA-N 1 0 324.399 4.215 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)C1 ZINC001177117128 1048826056 /nfs/dbraw/zinc/82/60/56/1048826056.db2.gz JDNFBZLOBSOLHU-KURKYZTESA-N 1 0 302.462 4.141 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC001177127505 1048826339 /nfs/dbraw/zinc/82/63/39/1048826339.db2.gz FAWSOXBCIGLBBZ-ICSRJNTNSA-N 1 0 323.484 4.383 20 30 DIEDRO Cc1ccc(C[NH2+]CCSCc2ccccc2C#N)c(F)c1 ZINC001177133002 1048834787 /nfs/dbraw/zinc/83/47/87/1048834787.db2.gz OJNNGMWXUSSYHS-UHFFFAOYSA-N 1 0 314.429 4.029 20 30 DIEDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000852313065 1048835318 /nfs/dbraw/zinc/83/53/18/1048835318.db2.gz XPXDRCLGZSWDBT-PMACEKPBSA-N 1 0 320.436 4.046 20 30 DIEDRO Cc1cccc([C@H](C)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852328851 1048835539 /nfs/dbraw/zinc/83/55/39/1048835539.db2.gz OGVCGTRCLZEKAF-PXNSSMCTSA-N 1 0 305.425 4.008 20 30 DIEDRO CCCCCCCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC001191070017 1048837142 /nfs/dbraw/zinc/83/71/42/1048837142.db2.gz YMPHUTYNUOFUHN-UHFFFAOYSA-N 1 0 305.466 4.230 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCC[C@H](C(C)C)C1)C(C)C ZINC001177222162 1048849106 /nfs/dbraw/zinc/84/91/06/1048849106.db2.gz HXJFGIWFNWKZCI-SLFFLAALSA-N 1 0 306.538 4.489 20 30 DIEDRO C=CC(C)(C)CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC001203234765 1048850144 /nfs/dbraw/zinc/85/01/44/1048850144.db2.gz IMAZYYXYIFDTBF-UHFFFAOYSA-N 1 0 318.480 4.025 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H](C(C)C)C1)C(C)C ZINC001177222164 1048850500 /nfs/dbraw/zinc/85/05/00/1048850500.db2.gz HXJFGIWFNWKZCI-XUVXKRRUSA-N 1 0 306.538 4.489 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483727221 1048851438 /nfs/dbraw/zinc/85/14/38/1048851438.db2.gz MUOZRGQNUKRCPM-VBKZILBWSA-N 1 0 324.399 4.289 20 30 DIEDRO CCCCCCCNC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001191104358 1048852895 /nfs/dbraw/zinc/85/28/95/1048852895.db2.gz AOEJSDYCZBWSOH-UHFFFAOYSA-N 1 0 317.477 4.374 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000852685740 1048853809 /nfs/dbraw/zinc/85/38/09/1048853809.db2.gz JNWVDZFBNGQAJW-CALCHBBNSA-N 1 0 309.409 4.093 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483727219 1048853442 /nfs/dbraw/zinc/85/34/42/1048853442.db2.gz MUOZRGQNUKRCPM-JLTOFOAXSA-N 1 0 324.399 4.289 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)C1 ZINC001177249929 1048855630 /nfs/dbraw/zinc/85/56/30/1048855630.db2.gz GYIJYJFVBPROHH-DOTOQJQBSA-N 1 0 300.446 4.237 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000852893568 1048862853 /nfs/dbraw/zinc/86/28/53/1048862853.db2.gz OLQSICNMJUOJHH-IRXDYDNUSA-N 1 0 308.510 4.164 20 30 DIEDRO C[NH+](C)[C@H]1CCOc2c(NC=Cc3ccc(C#N)cc3)cccc21 ZINC001203308548 1048865684 /nfs/dbraw/zinc/86/56/84/1048865684.db2.gz UYIQTGIPCWNQJR-RDELFYGPSA-N 1 0 319.408 4.026 20 30 DIEDRO CC1(C)CCC[C@H](C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)O1 ZINC001191155344 1048865785 /nfs/dbraw/zinc/86/57/85/1048865785.db2.gz FSASQYGXHTUUGZ-GUDVDZBRSA-N 1 0 312.457 4.106 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2F)ccc1OC ZINC001203314699 1048868031 /nfs/dbraw/zinc/86/80/31/1048868031.db2.gz XVCABSROKUCLID-JKSUJKDBSA-N 1 0 307.409 4.020 20 30 DIEDRO COc1cc(C[NH2+][C@H](c2cccc(C)c2)C(C)C)ccc1C#N ZINC001203338308 1048872656 /nfs/dbraw/zinc/87/26/56/1048872656.db2.gz CWPDPZIZJUDAPF-FQEVSTJZSA-N 1 0 308.425 4.362 20 30 DIEDRO Cc1ccc(Nc2ccc(N3CCCCC3)c(C#N)c2)c(C)n1 ZINC001203374327 1048885842 /nfs/dbraw/zinc/88/58/42/1048885842.db2.gz HOZRVNLABGPQPR-UHFFFAOYSA-N 1 0 306.413 4.304 20 30 DIEDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001191214095 1048887870 /nfs/dbraw/zinc/88/78/70/1048887870.db2.gz MLGNEQJJTIHNDF-PXNSSMCTSA-N 1 0 314.473 4.123 20 30 DIEDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001191214094 1048888286 /nfs/dbraw/zinc/88/82/86/1048888286.db2.gz MLGNEQJJTIHNDF-FXAWDEMLSA-N 1 0 314.473 4.123 20 30 DIEDRO CCCCCCC[C@@H](C)C[NH2+]C1CCN(C(=O)OCC)CC1 ZINC001177429149 1048891564 /nfs/dbraw/zinc/89/15/64/1048891564.db2.gz PQRCIHGVJNEZPG-MRXNPFEDSA-N 1 0 312.498 4.194 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)c(F)c1 ZINC000853242762 1048892810 /nfs/dbraw/zinc/89/28/10/1048892810.db2.gz RYOFPFHMMBBZAU-UONOGXRCSA-N 1 0 324.399 4.434 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC001177442971 1048895282 /nfs/dbraw/zinc/89/52/82/1048895282.db2.gz XZVKVROCXJIALQ-HIFRSBDPSA-N 1 0 324.262 4.162 20 30 DIEDRO FC(F)(F)[C@H]1CCC[C@@H](C=[NH+]n2cnnc2-c2ccccc2)C1 ZINC000853284158 1048895883 /nfs/dbraw/zinc/89/58/83/1048895883.db2.gz RRTZDIFASMUCKX-OCCSQVGLSA-N 1 0 322.334 4.148 20 30 DIEDRO CC[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1OC(F)F ZINC000484094065 1048898827 /nfs/dbraw/zinc/89/88/27/1048898827.db2.gz OQUWDCREXFVBHJ-KRWDZBQOSA-N 1 0 315.363 4.380 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000484095911 1048899119 /nfs/dbraw/zinc/89/91/19/1048899119.db2.gz OMKWVNMMAKJZKI-AWEZNQCLSA-N 1 0 303.327 4.408 20 30 DIEDRO N#CCCC[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000484061947 1048900088 /nfs/dbraw/zinc/90/00/88/1048900088.db2.gz AXUGTJRYTXXPNY-UHFFFAOYSA-N 1 0 321.262 4.497 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1c1ccccc1 ZINC001191224076 1048902676 /nfs/dbraw/zinc/90/26/76/1048902676.db2.gz SFWCELNVYCADCV-KXBFYZLASA-N 1 0 308.400 4.323 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(C)(C)C)cc(O)c1O ZINC000853599025 1048910073 /nfs/dbraw/zinc/91/00/73/1048910073.db2.gz JBYPLWGZJOWJRM-IYBDPMFKSA-N 1 0 301.430 4.078 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCOc1ccccc1C#N ZINC001191269638 1048910925 /nfs/dbraw/zinc/91/09/25/1048910925.db2.gz VVSABECUGFOLBI-FQEVSTJZSA-N 1 0 322.452 4.199 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC001191266974 1048911007 /nfs/dbraw/zinc/91/10/07/1048911007.db2.gz BTNYLCDOKGGCLN-IBGZPJMESA-N 1 0 310.416 4.459 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC001191269378 1048911196 /nfs/dbraw/zinc/91/11/96/1048911196.db2.gz RNDCOHIAGQORKP-FQEVSTJZSA-N 1 0 310.416 4.459 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC001191269436 1048911928 /nfs/dbraw/zinc/91/19/28/1048911928.db2.gz SPVGHDVBXQALBG-FQEVSTJZSA-N 1 0 322.452 4.328 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)cc1 ZINC001177565925 1048916329 /nfs/dbraw/zinc/91/63/29/1048916329.db2.gz LUYVLHPHOIEVCS-UHFFFAOYSA-N 1 0 304.220 4.307 20 30 DIEDRO C[N@H+](CCOCCC#N)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000559228413 1048921104 /nfs/dbraw/zinc/92/11/04/1048921104.db2.gz YLCHYYRHHUIPQD-SFHVURJKSA-N 1 0 320.864 4.433 20 30 DIEDRO COc1ccc2c(Nc3ccc(C#N)c(F)c3F)cc[nH+]c2c1 ZINC001203528400 1048922716 /nfs/dbraw/zinc/92/27/16/1048922716.db2.gz NOPXCAQUESARJU-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001191317822 1048924559 /nfs/dbraw/zinc/92/45/59/1048924559.db2.gz NMPOFDHSRXUCPJ-FOIQADDNSA-N 1 0 308.400 4.323 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)C1 ZINC001177636639 1048926510 /nfs/dbraw/zinc/92/65/10/1048926510.db2.gz AHQLVWVUBPCBKH-GJZGRUSLSA-N 1 0 304.503 4.289 20 30 DIEDRO CC1(C)CN(Cc2cc(F)ccc2C#N)CC[C@H]1C(F)(F)F ZINC000484348731 1048928321 /nfs/dbraw/zinc/92/83/21/1048928321.db2.gz GEATUPYEVHJWRU-CQSZACIVSA-N 1 0 314.326 4.108 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1Cl ZINC001203639401 1048943900 /nfs/dbraw/zinc/94/39/00/1048943900.db2.gz KINZOCAEUBUWMK-NWDGAFQWSA-N 1 0 319.754 4.193 20 30 DIEDRO COc1cc2ccccc2cc1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC001203639288 1048944989 /nfs/dbraw/zinc/94/49/89/1048944989.db2.gz IXJKEVYVCRDBHO-UHFFFAOYSA-N 1 0 316.404 4.318 20 30 DIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(CCC(C)C)CC1 ZINC001191610392 1048971571 /nfs/dbraw/zinc/97/15/71/1048971571.db2.gz KUEAHQATXDCHNO-UHFFFAOYSA-N 1 0 300.446 4.215 20 30 DIEDRO Cc1ccccc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001203712394 1048972802 /nfs/dbraw/zinc/97/28/02/1048972802.db2.gz HOWRDLXRQSDLMW-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO CCCCCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000776747518 1048977289 /nfs/dbraw/zinc/97/72/89/1048977289.db2.gz YVTFSQWWBCBTLB-UHFFFAOYSA-N 1 0 304.478 4.224 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000776747295 1048979466 /nfs/dbraw/zinc/97/94/66/1048979466.db2.gz VBHRPPSQMONZDM-OAHLLOKOSA-N 1 0 311.491 4.101 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001191691146 1048985093 /nfs/dbraw/zinc/98/50/93/1048985093.db2.gz LGCAGXCMAVWYMM-IRXDYDNUSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCN(CCOC)Cc1csc(-c2ccc(CC)cc2)n1 ZINC000484599978 1048985237 /nfs/dbraw/zinc/98/52/37/1048985237.db2.gz ZBQQUEQPEABOSB-UHFFFAOYSA-N 1 0 316.470 4.007 20 30 DIEDRO C[C@H](c1ccc2ccccc2c1)[N@H+](CCOCCC#N)C1CC1 ZINC000338964121 1048990942 /nfs/dbraw/zinc/99/09/42/1048990942.db2.gz VDCXRMWTNUPGGZ-MRXNPFEDSA-N 1 0 308.425 4.295 20 30 DIEDRO C#CCCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC001178166106 1048992556 /nfs/dbraw/zinc/99/25/56/1048992556.db2.gz WTHWWXQJXPVGIT-UHFFFAOYSA-N 1 0 311.400 4.298 20 30 DIEDRO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001203762690 1048993536 /nfs/dbraw/zinc/99/35/36/1048993536.db2.gz NPUXLIOSDDJCCS-FQEVSTJZSA-N 1 0 306.409 4.294 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCc3nc(C)sc32)c1 ZINC001178285834 1049011485 /nfs/dbraw/zinc/01/14/85/1049011485.db2.gz ULYYRDNGCKLVQD-INIZCTEOSA-N 1 0 314.454 4.184 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Cl)ccc1O ZINC000775488715 1049012257 /nfs/dbraw/zinc/01/22/57/1049012257.db2.gz RNDKTVDYFIFIRQ-MRXNPFEDSA-N 1 0 300.789 4.158 20 30 DIEDRO N#Cc1cc(F)cc(F)c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203826759 1049012688 /nfs/dbraw/zinc/01/26/88/1049012688.db2.gz IXOQPCFSHGGPFU-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO N#CCC1(C[NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC001191881540 1049014817 /nfs/dbraw/zinc/01/48/17/1049014817.db2.gz IOMLFJKOBPNRSL-UHFFFAOYSA-N 1 0 319.246 4.112 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)ccc1O ZINC000775491614 1049020137 /nfs/dbraw/zinc/02/01/37/1049020137.db2.gz GDPWFTBWVMNXLT-MRXNPFEDSA-N 1 0 300.789 4.158 20 30 DIEDRO CC(C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000173280368 1049020285 /nfs/dbraw/zinc/02/02/85/1049020285.db2.gz QBHMBPHAKGIZJA-UHFFFAOYSA-N 1 0 324.428 4.151 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000776800594 1049021003 /nfs/dbraw/zinc/02/10/03/1049021003.db2.gz RPMAQOAVIUNOTG-MRXNPFEDSA-N 1 0 312.363 4.134 20 30 DIEDRO C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC001203907077 1049027310 /nfs/dbraw/zinc/02/73/10/1049027310.db2.gz HVHVPXKWMWTRCL-UHFFFAOYSA-N 1 0 318.342 4.252 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3ccccc3F)CC2)cc1 ZINC001203905524 1049029248 /nfs/dbraw/zinc/02/92/48/1049029248.db2.gz QRKNVAUPSAXFTP-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](CC)c2ccc(OC)cc2)cc1 ZINC000113314069 1049032265 /nfs/dbraw/zinc/03/22/65/1049032265.db2.gz BLWGXBQOKJZKDB-OAQYLSRUSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000113316726 1049032457 /nfs/dbraw/zinc/03/24/57/1049032457.db2.gz PFXSTFPXDYLJGA-NRFANRHFSA-N 1 0 305.421 4.330 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(OC(C)C)cc2)cc1 ZINC000113320092 1049032510 /nfs/dbraw/zinc/03/25/10/1049032510.db2.gz WOZPBRLJYBTDSG-UHFFFAOYSA-N 1 0 323.436 4.166 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)cc1C#N ZINC000776807788 1049032626 /nfs/dbraw/zinc/03/26/26/1049032626.db2.gz JEYVHDNDTTVPLA-GFCCVEGCSA-N 1 0 323.421 4.027 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775502583 1049044475 /nfs/dbraw/zinc/04/44/75/1049044475.db2.gz SZTFHMQUKQBCFQ-KRWDZBQOSA-N 1 0 322.880 4.127 20 30 DIEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001203962345 1049046777 /nfs/dbraw/zinc/04/67/77/1049046777.db2.gz LMZCPNPJGTYTRZ-GOSISDBHSA-N 1 0 305.421 4.111 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2OC)C1 ZINC001178537171 1049053402 /nfs/dbraw/zinc/05/34/02/1049053402.db2.gz KJWFHLUSKNPOQG-IUODEOHRSA-N 1 0 324.262 4.292 20 30 DIEDRO C=CCCCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC001178546736 1049055481 /nfs/dbraw/zinc/05/54/81/1049055481.db2.gz ZXRMSIKCLCCJAV-QGZVFWFLSA-N 1 0 323.864 4.344 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1CC(c2ccccc2)C1 ZINC001178554192 1049058909 /nfs/dbraw/zinc/05/89/09/1049058909.db2.gz YACAMEZHVFIRAP-UHFFFAOYSA-N 1 0 304.437 4.459 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC ZINC001178594615 1049059477 /nfs/dbraw/zinc/05/94/77/1049059477.db2.gz IBNQUOCWZGCRFF-NUJGCVRESA-N 1 0 317.473 4.422 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)Cc2cccnc2)cc1Cl ZINC001204012589 1049063319 /nfs/dbraw/zinc/06/33/19/1049063319.db2.gz WJOXXOSWOAOKNV-CQSZACIVSA-N 1 0 316.832 4.021 20 30 DIEDRO CCN(C)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000773754369 1049064321 /nfs/dbraw/zinc/06/43/21/1049064321.db2.gz WZJYHCZPRBLNPQ-UHFFFAOYSA-N 1 0 319.452 4.179 20 30 DIEDRO Cc1cc(C)cc(C2=CC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC001192292264 1049075352 /nfs/dbraw/zinc/07/53/52/1049075352.db2.gz PMJZEEREOVTBEF-UHFFFAOYSA-N 1 0 302.421 4.464 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccccc2F)c1 ZINC000113952524 1049077889 /nfs/dbraw/zinc/07/78/89/1049077889.db2.gz DKKIGJDMODSDMP-HOCLYGCPSA-N 1 0 312.388 4.357 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000113952431 1049078347 /nfs/dbraw/zinc/07/83/47/1049078347.db2.gz NWZGQGUMFOHPAL-KDOFPFPSSA-N 1 0 312.388 4.357 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC001178737363 1049081069 /nfs/dbraw/zinc/08/10/69/1049081069.db2.gz QWDYVRYNFJLMAZ-UHFFFAOYSA-N 1 0 303.837 4.136 20 30 DIEDRO C#CC[N@H+](Cc1ccnc2ccccc12)[C@@H]1CCc2ccccc21 ZINC001204088544 1049081766 /nfs/dbraw/zinc/08/17/66/1049081766.db2.gz OTMCYIRRCMTHBV-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO N#CCc1cccc(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001204119100 1049088005 /nfs/dbraw/zinc/08/80/05/1049088005.db2.gz WJJNSOCXJTYAIG-UHFFFAOYSA-N 1 0 305.425 4.482 20 30 DIEDRO N#CCc1ccccc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204118158 1049088055 /nfs/dbraw/zinc/08/80/55/1049088055.db2.gz DXPFTHCYSLFNQY-UHFFFAOYSA-N 1 0 305.425 4.482 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(O)c(OCC)c1 ZINC001204130598 1049090253 /nfs/dbraw/zinc/09/02/53/1049090253.db2.gz LCSZUOUZANMRKF-UHFFFAOYSA-N 1 0 311.425 4.369 20 30 DIEDRO CC(C)C1([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC001178778316 1049094247 /nfs/dbraw/zinc/09/42/47/1049094247.db2.gz LEFUBPCDEDXEAN-UHFFFAOYSA-N 1 0 320.436 4.415 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cc1 ZINC001204147837 1049096410 /nfs/dbraw/zinc/09/64/10/1049096410.db2.gz XLCSUUDQALPWMY-UHFFFAOYSA-N 1 0 309.409 4.052 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H](C2CC2)C2CCC2)ccc1OC ZINC001178868913 1049103239 /nfs/dbraw/zinc/10/32/39/1049103239.db2.gz ZHQDEKCXMQEMJZ-FQEVSTJZSA-N 1 0 315.457 4.318 20 30 DIEDRO C=CCCC[C@@H](NC(=O)Nc1ccccc1C[NH3+])c1ccccc1 ZINC000904624559 1049108596 /nfs/dbraw/zinc/10/85/96/1049108596.db2.gz UJJNMFNUODRYCQ-GOSISDBHSA-N 1 0 323.440 4.364 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1snc(OC)c1Cl ZINC001178939660 1049110888 /nfs/dbraw/zinc/11/08/88/1049110888.db2.gz NJJMMPHJKOALCM-CYBMUJFWSA-N 1 0 322.861 4.082 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+](C)CCc1cccs1 ZINC001204213885 1049113120 /nfs/dbraw/zinc/11/31/20/1049113120.db2.gz XUXLCLFBQPNDDJ-UHFFFAOYSA-N 1 0 319.857 4.088 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)cc1 ZINC001204232375 1049115874 /nfs/dbraw/zinc/11/58/74/1049115874.db2.gz LEKVAHRJSYUSBJ-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C=C(C)CCN(CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001192525265 1049116323 /nfs/dbraw/zinc/11/63/23/1049116323.db2.gz IYRHFIXQOWFGGC-MRXNPFEDSA-N 1 0 309.837 4.232 20 30 DIEDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c2ccccc21 ZINC001204242949 1049120806 /nfs/dbraw/zinc/12/08/06/1049120806.db2.gz UORIUWRMZGKXBI-INIZCTEOSA-N 1 0 307.441 4.031 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)C(C)(C)c1ccccc1 ZINC001192604211 1049121408 /nfs/dbraw/zinc/12/14/08/1049121408.db2.gz KVUPVHHCRBKRNJ-FQEVSTJZSA-N 1 0 322.452 4.413 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](c1ccc(F)cc1F)C1CC1 ZINC001192617585 1049125336 /nfs/dbraw/zinc/12/53/36/1049125336.db2.gz WIAZLDTWTOCBMM-IBGZPJMESA-N 1 0 312.363 4.386 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857081626 1049125973 /nfs/dbraw/zinc/12/59/73/1049125973.db2.gz HGBAZQDBWHARKH-HIFRSBDPSA-N 1 0 309.240 4.109 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC001179142344 1049129813 /nfs/dbraw/zinc/12/98/13/1049129813.db2.gz FKPVUOQDVYZVAH-WIYYLYMNSA-N 1 0 323.484 4.252 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(OC)cc2OC)CCCC1 ZINC001179143106 1049131682 /nfs/dbraw/zinc/13/16/82/1049131682.db2.gz SDOKXSDIPKTSLZ-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC001192663962 1049132652 /nfs/dbraw/zinc/13/26/52/1049132652.db2.gz YFYZYXNZIHPKCD-CQSZACIVSA-N 1 0 304.409 4.349 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)cc1 ZINC001204303261 1049133935 /nfs/dbraw/zinc/13/39/35/1049133935.db2.gz DGLNNEZPHSABEM-IBGZPJMESA-N 1 0 323.436 4.250 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCOC(=O)Cc1ccccc1)c1ccccc1 ZINC001192711489 1049133928 /nfs/dbraw/zinc/13/39/28/1049133928.db2.gz WHWJCOVBRPWOCW-HXUWFJFHSA-N 1 0 323.436 4.069 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]CCCOc2ccc(C#N)cc2)c(C)s1 ZINC001192747213 1049134138 /nfs/dbraw/zinc/13/41/38/1049134138.db2.gz TYYGIAYRRPGPQP-CQSZACIVSA-N 1 0 314.454 4.356 20 30 DIEDRO C=CCC[C@H]([NH2+]CCOC(=O)Cc1ccccc1)c1ccccc1 ZINC001192711488 1049134195 /nfs/dbraw/zinc/13/41/95/1049134195.db2.gz WHWJCOVBRPWOCW-FQEVSTJZSA-N 1 0 323.436 4.069 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]CCCOc2ccc(C#N)cc2)c(C)s1 ZINC001192747212 1049134984 /nfs/dbraw/zinc/13/49/84/1049134984.db2.gz TYYGIAYRRPGPQP-AWEZNQCLSA-N 1 0 314.454 4.356 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001192756975 1049138319 /nfs/dbraw/zinc/13/83/19/1049138319.db2.gz KEQZRPKGGSNLII-JKSUJKDBSA-N 1 0 315.457 4.469 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001192870497 1049140742 /nfs/dbraw/zinc/14/07/42/1049140742.db2.gz VFHHYIGSLQHFQP-HZPDHXFCSA-N 1 0 312.498 4.192 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(C)cc(C)c2)cc1OC ZINC001179222001 1049142676 /nfs/dbraw/zinc/14/26/76/1049142676.db2.gz CFCLZRVMWCUHGN-UHFFFAOYSA-N 1 0 311.425 4.167 20 30 DIEDRO C=CCOCC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001179237789 1049146177 /nfs/dbraw/zinc/14/61/77/1049146177.db2.gz BCTNBTPUFBPJSQ-UHFFFAOYSA-N 1 0 319.489 4.279 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](CCC)c1cccc(C(F)(F)F)c1 ZINC001192911169 1049148404 /nfs/dbraw/zinc/14/84/04/1049148404.db2.gz ZXCGIFKWQJXFFT-JKSUJKDBSA-N 1 0 315.379 4.463 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC001192920209 1049150736 /nfs/dbraw/zinc/15/07/36/1049150736.db2.gz XKPCEWLZUUTBQB-KRWDZBQOSA-N 1 0 323.525 4.005 20 30 DIEDRO Cc1cc(C[NH2+]CCc2c[nH]c3c2cccc3Cl)ccc1C#N ZINC001179291796 1049150818 /nfs/dbraw/zinc/15/08/18/1049150818.db2.gz WSJSZCIWFPQLHH-UHFFFAOYSA-N 1 0 323.827 4.334 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)cc1 ZINC001204366864 1049151819 /nfs/dbraw/zinc/15/18/19/1049151819.db2.gz YNTWKRUPIBHIRA-PKOBYXMFSA-N 1 0 319.489 4.381 20 30 DIEDRO C[C@@H]1OC2(CC[NH+](Cc3ccccc3C#N)CC2)c2ccccc21 ZINC001204374820 1049153010 /nfs/dbraw/zinc/15/30/10/1049153010.db2.gz JCCGVDKAKGHRHF-INIZCTEOSA-N 1 0 318.420 4.141 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1F ZINC000158463959 1049155060 /nfs/dbraw/zinc/15/50/60/1049155060.db2.gz NHZHZMZCSVABPB-FNMUINPESA-N 1 0 324.399 4.109 20 30 DIEDRO CC1(C)C[N@H+](CCCOc2cccc(C#N)c2)Cc2ccccc21 ZINC001192939891 1049156959 /nfs/dbraw/zinc/15/69/59/1049156959.db2.gz VYCIXSVKQYZRDF-UHFFFAOYSA-N 1 0 320.436 4.121 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCC[C@H]2CCO2)C(C)(C)C)cc1 ZINC001204432981 1049162057 /nfs/dbraw/zinc/16/20/57/1049162057.db2.gz YBUDHJCUYMJWMQ-SFHVURJKSA-N 1 0 317.473 4.421 20 30 DIEDRO Cc1cc(CNc2ccc(C[NH+]3CCCCC3)cc2)ccc1C#N ZINC001179429801 1049162222 /nfs/dbraw/zinc/16/22/22/1049162222.db2.gz KICUZZCQVQTQKW-UHFFFAOYSA-N 1 0 319.452 4.465 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC001193043784 1049163746 /nfs/dbraw/zinc/16/37/46/1049163746.db2.gz JXRATJRNUHTURH-UHFFFAOYSA-N 1 0 308.450 4.164 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(-c3ccccc3OC)cc2)CCCC1 ZINC001179438125 1049164170 /nfs/dbraw/zinc/16/41/70/1049164170.db2.gz RMNAISIZORHMOA-UHFFFAOYSA-N 1 0 305.421 4.398 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](CC(C)C)C2)cc1C#N ZINC001179448228 1049165481 /nfs/dbraw/zinc/16/54/81/1049165481.db2.gz ZKAAQYXOWPDTLW-YJBOKZPZSA-N 1 0 300.446 4.261 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(Cl)ccc1Cl)C2 ZINC001179419852 1049167769 /nfs/dbraw/zinc/16/77/69/1049167769.db2.gz USKLGLURCYDHIU-MRXNPFEDSA-N 1 0 317.219 4.122 20 30 DIEDRO CC(C)Cc1ccc(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001179419428 1049167778 /nfs/dbraw/zinc/16/77/78/1049167778.db2.gz LRZOMFSMBWSSJW-NRFANRHFSA-N 1 0 304.437 4.014 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000485053035 1049172710 /nfs/dbraw/zinc/17/27/10/1049172710.db2.gz VMNUZMBKDCQZMB-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC001179516044 1049172807 /nfs/dbraw/zinc/17/28/07/1049172807.db2.gz PLEYWKMTXDRVQY-UHFFFAOYSA-N 1 0 314.517 4.276 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3cccc4ncccc34)cc2)CC1 ZINC001179524958 1049173205 /nfs/dbraw/zinc/17/32/05/1049173205.db2.gz FGYYNROKJCFCRJ-UHFFFAOYSA-N 1 0 313.404 4.080 20 30 DIEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001193081226 1049174713 /nfs/dbraw/zinc/17/47/13/1049174713.db2.gz NMTARELXARVTGJ-HKUYNNGSSA-N 1 0 300.446 4.276 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OCc2ccccc2F)nc1)C(C)C ZINC000775572946 1049181551 /nfs/dbraw/zinc/18/15/51/1049181551.db2.gz VFXWSXGNVXMCPL-UHFFFAOYSA-N 1 0 314.404 4.196 20 30 DIEDRO Cc1cc(C)cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c1 ZINC001204525266 1049182648 /nfs/dbraw/zinc/18/26/48/1049182648.db2.gz WBHLVWKFVSGYAU-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO COc1cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)ccc1F ZINC001204565010 1049189057 /nfs/dbraw/zinc/18/90/57/1049189057.db2.gz YFHZZMFFIVXOIS-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000775589480 1049195418 /nfs/dbraw/zinc/19/54/18/1049195418.db2.gz PGCNELXNZPUKOU-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)n1 ZINC001179681647 1049196822 /nfs/dbraw/zinc/19/68/22/1049196822.db2.gz QYUJGHIWPVWCCT-HZPDHXFCSA-N 1 0 311.454 4.221 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)C2CC2)cc1OC ZINC001179681639 1049197021 /nfs/dbraw/zinc/19/70/21/1049197021.db2.gz QOVBSQGUPFTMLE-UHFFFAOYSA-N 1 0 323.864 4.439 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1OC ZINC001179767769 1049201653 /nfs/dbraw/zinc/20/16/53/1049201653.db2.gz FGHXARLOUGBESC-SQWLQELKSA-N 1 0 321.848 4.192 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2nc(-c3cccs3)ccc2C#N)cc1 ZINC001204621328 1049203116 /nfs/dbraw/zinc/20/31/16/1049203116.db2.gz VULYCSNHFOYFKO-UHFFFAOYSA-N 1 0 319.433 4.410 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857916408 1049210988 /nfs/dbraw/zinc/21/09/88/1049210988.db2.gz PVILHUMGEWVHNU-IRXDYDNUSA-N 1 0 323.827 4.261 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000857911338 1049211127 /nfs/dbraw/zinc/21/11/27/1049211127.db2.gz DUGSZBRIKAMGLT-MRXNPFEDSA-N 1 0 314.816 4.077 20 30 DIEDRO COc1ccc([C@@H]2CCCN2Cc2cccc(F)c2C#N)cc1 ZINC000485244899 1049211536 /nfs/dbraw/zinc/21/15/36/1049211536.db2.gz NRZFVCJDXPHVDK-IBGZPJMESA-N 1 0 310.372 4.043 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2cnc(C#N)c(Cl)c2)cc1 ZINC001204683583 1049224327 /nfs/dbraw/zinc/22/43/27/1049224327.db2.gz GGJZCDIOJCNONB-UHFFFAOYSA-N 1 0 314.820 4.238 20 30 DIEDRO COc1ccc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)c(C#N)c1 ZINC001204690603 1049228220 /nfs/dbraw/zinc/22/82/20/1049228220.db2.gz DRSICTUPLJREGK-UHFFFAOYSA-N 1 0 309.413 4.199 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CCCC[C@H](SC)C1 ZINC001179925820 1049228888 /nfs/dbraw/zinc/22/88/88/1049228888.db2.gz TVOMYJBTBVPJPJ-AWEZNQCLSA-N 1 0 323.889 4.070 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858239243 1049230220 /nfs/dbraw/zinc/23/02/20/1049230220.db2.gz QYPDUOCBQNNFBL-MGPUTAFESA-N 1 0 321.424 4.003 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(n1)CCC2 ZINC001204696628 1049230304 /nfs/dbraw/zinc/23/03/04/1049230304.db2.gz CISHWHBFBUVJOB-UHFFFAOYSA-N 1 0 319.452 4.100 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C2(c3ccc(F)cc3)CC2)cc1 ZINC000777009860 1049231780 /nfs/dbraw/zinc/23/17/80/1049231780.db2.gz YIMBOCJVCFVTMP-HNNXBMFYSA-N 1 0 309.384 4.178 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC001193649431 1049241027 /nfs/dbraw/zinc/24/10/27/1049241027.db2.gz QDENTOFUOWVQRN-CJNGLKHVSA-N 1 0 321.262 4.379 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC001193649430 1049241078 /nfs/dbraw/zinc/24/10/78/1049241078.db2.gz QDENTOFUOWVQRN-BBRMVZONSA-N 1 0 321.262 4.379 20 30 DIEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001193649270 1049241324 /nfs/dbraw/zinc/24/13/24/1049241324.db2.gz NOLAQKAAEOCLGP-HNNXBMFYSA-N 1 0 308.372 4.218 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]CCCCC2(C#N)CCC2)C1(CC)CC ZINC001193659061 1049242868 /nfs/dbraw/zinc/24/28/68/1049242868.db2.gz BQSIOJDDJDWLAH-DLBZAZTESA-N 1 0 306.494 4.424 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]CCCCC2(C#N)CCC2)C1(CC)CC ZINC001193659069 1049243022 /nfs/dbraw/zinc/24/30/22/1049243022.db2.gz BQSIOJDDJDWLAH-IAGOWNOFSA-N 1 0 306.494 4.424 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC001193686473 1049245456 /nfs/dbraw/zinc/24/54/56/1049245456.db2.gz KBVWUATZOUMMKI-VLIAUNLRSA-N 1 0 305.425 4.153 20 30 DIEDRO SC1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001204738343 1049245714 /nfs/dbraw/zinc/24/57/14/1049245714.db2.gz CFXNTFJHCWGTCX-UHFFFAOYSA-N 1 0 307.846 4.494 20 30 DIEDRO Cc1cccc([C@H]([NH2+]Cc2ccc(OCC#N)cc2)C(C)C)c1 ZINC000858377342 1049248339 /nfs/dbraw/zinc/24/83/39/1049248339.db2.gz YEMHJDBOXKLHEL-HXUWFJFHSA-N 1 0 308.425 4.384 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(C)ccc1C ZINC000858376110 1049249186 /nfs/dbraw/zinc/24/91/86/1049249186.db2.gz HAYHIKTVTLBZJD-FQEVSTJZSA-N 1 0 308.425 4.447 20 30 DIEDRO CCCc1cccc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)c1 ZINC001204749704 1049251006 /nfs/dbraw/zinc/25/10/06/1049251006.db2.gz HAZCWLNDZNPPFK-UHFFFAOYSA-N 1 0 322.452 4.159 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000858446293 1049259349 /nfs/dbraw/zinc/25/93/49/1049259349.db2.gz DFUYYWZNABZJNW-JTQLQIEISA-N 1 0 315.230 4.236 20 30 DIEDRO C#CC[N@@H+](Cc1nc2ccc(OC)cc2s1)C1CCCCC1 ZINC001180030169 1049259641 /nfs/dbraw/zinc/25/96/41/1049259641.db2.gz JJIQWAJRMICLDB-UHFFFAOYSA-N 1 0 314.454 4.073 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001193762414 1049259862 /nfs/dbraw/zinc/25/98/62/1049259862.db2.gz OSSLAJGVEOXXQP-GOSISDBHSA-N 1 0 312.498 4.194 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000858484469 1049263958 /nfs/dbraw/zinc/26/39/58/1049263958.db2.gz RZOBQAHDNCTAPO-KKSFZXQISA-N 1 0 320.436 4.286 20 30 DIEDRO CC1=C(Br)C[N@H+](CCCCC2(C#N)CCC2)CC1 ZINC001193880629 1049272044 /nfs/dbraw/zinc/27/20/44/1049272044.db2.gz FXXZYCSOWMIXHI-UHFFFAOYSA-N 1 0 311.267 4.225 20 30 DIEDRO C=CCN(C)CC[N@@H+](CC)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001193914904 1049282363 /nfs/dbraw/zinc/28/23/63/1049282363.db2.gz YYMGSUUEDHSEJE-UYAOXDASSA-N 1 0 300.490 4.010 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCC1(C)C ZINC001193920564 1049283710 /nfs/dbraw/zinc/28/37/10/1049283710.db2.gz OWPBTCMYQYFDLL-MRXNPFEDSA-N 1 0 306.381 4.301 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CCC(=O)NCC2CCCCC2)CCCC1(C)C ZINC001193921118 1049284263 /nfs/dbraw/zinc/28/42/63/1049284263.db2.gz UNEVRHWHGHSYAJ-SFHVURJKSA-N 1 0 320.521 4.140 20 30 DIEDRO CCCCCCCOC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC001194013047 1049299206 /nfs/dbraw/zinc/29/92/06/1049299206.db2.gz MGHUSKOSOMYBPD-MRXNPFEDSA-N 1 0 300.487 4.194 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001180170626 1049307500 /nfs/dbraw/zinc/30/75/00/1049307500.db2.gz PUGVBXFSCJYZSQ-PMACEKPBSA-N 1 0 305.425 4.111 20 30 DIEDRO C=C(C)C[N@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC001194051527 1049308661 /nfs/dbraw/zinc/30/86/61/1049308661.db2.gz FUEURFHCVIRWFM-UHFFFAOYSA-N 1 0 320.436 4.405 20 30 DIEDRO C=C(C)CN(Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001194051675 1049308920 /nfs/dbraw/zinc/30/89/20/1049308920.db2.gz GVSGQANMNKJOAA-UHFFFAOYSA-N 1 0 314.360 4.312 20 30 DIEDRO CCC1CCC([N@H+](CCO)CCC2(C#N)CCCCC2)CC1 ZINC001194065989 1049312604 /nfs/dbraw/zinc/31/26/04/1049312604.db2.gz BVBPDSWFPLBEGK-UHFFFAOYSA-N 1 0 306.494 4.114 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC001204930270 1049313415 /nfs/dbraw/zinc/31/34/15/1049313415.db2.gz JOEQPFGZNZDZSA-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO Cc1ccc([C@H]2CC[N@H+](CCc3ccc(C#N)cc3)C2)c(C)c1 ZINC001194074570 1049316257 /nfs/dbraw/zinc/31/62/57/1049316257.db2.gz XSLKAAXDSGYXSP-FQEVSTJZSA-N 1 0 304.437 4.207 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2cccc(Cl)c2)C2CC2)cc1 ZINC001204969040 1049326948 /nfs/dbraw/zinc/32/69/48/1049326948.db2.gz QUKNNCWXJWGNDG-UHFFFAOYSA-N 1 0 310.828 4.419 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC001194154426 1049330003 /nfs/dbraw/zinc/33/00/03/1049330003.db2.gz WBTPVULBCMNENJ-JXFKEZNVSA-N 1 0 306.409 4.020 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC001194155212 1049330548 /nfs/dbraw/zinc/33/05/48/1049330548.db2.gz ZRFBQGKDISESRC-KXBFYZLASA-N 1 0 306.409 4.150 20 30 DIEDRO C=CCCCCC[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001194176934 1049335331 /nfs/dbraw/zinc/33/53/31/1049335331.db2.gz RXYYUOMMEXUBLR-UHFFFAOYSA-N 1 0 322.493 4.208 20 30 DIEDRO C=C(CC)C[N@H+](CCCNC(=O)OC(C)(C)C)CC1CCCC1 ZINC001194213236 1049342765 /nfs/dbraw/zinc/34/27/65/1049342765.db2.gz MSLSNFPEHSAXHZ-UHFFFAOYSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCC1([NH2+][C@H](C)CCc2ccc(Cl)s2)CCOCC1 ZINC000668551800 1049342704 /nfs/dbraw/zinc/34/27/04/1049342704.db2.gz XMWDHRUPBCTUBY-CYBMUJFWSA-N 1 0 313.894 4.438 20 30 DIEDRO C=CCC1([NH2+][C@H](C)CC(C)(C)c2ccccc2)CCOCC1 ZINC000668551284 1049343656 /nfs/dbraw/zinc/34/36/56/1049343656.db2.gz JHQRLQIBPYUNNY-QGZVFWFLSA-N 1 0 301.474 4.458 20 30 DIEDRO C=CCC1([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CCOCC1 ZINC000668552628 1049344432 /nfs/dbraw/zinc/34/44/32/1049344432.db2.gz PYAJWAIVARDYOB-IBGZPJMESA-N 1 0 315.432 4.477 20 30 DIEDRO C=CCC1([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CCOCC1 ZINC000668552665 1049344665 /nfs/dbraw/zinc/34/46/65/1049344665.db2.gz QOGKLIGJGCQYIP-INIZCTEOSA-N 1 0 324.468 4.049 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860136395 1049370291 /nfs/dbraw/zinc/37/02/91/1049370291.db2.gz VVELVIJQZPZQNB-FQEVSTJZSA-N 1 0 317.473 4.187 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(OCc2ccccc2F)cc1)C1CC1 ZINC001194435687 1049376925 /nfs/dbraw/zinc/37/69/25/1049376925.db2.gz NSDZVJULOKSOFN-UHFFFAOYSA-N 1 0 309.384 4.002 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC001180601713 1049388330 /nfs/dbraw/zinc/38/83/30/1049388330.db2.gz BUIZAKSNBHKRGK-SFHVURJKSA-N 1 0 301.478 4.296 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC001180601712 1049389561 /nfs/dbraw/zinc/38/95/61/1049389561.db2.gz BUIZAKSNBHKRGK-GOSISDBHSA-N 1 0 301.478 4.296 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001194570357 1049392327 /nfs/dbraw/zinc/39/23/27/1049392327.db2.gz FARLAOAQWZVREE-MRXNPFEDSA-N 1 0 313.420 4.246 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC001194579134 1049394755 /nfs/dbraw/zinc/39/47/55/1049394755.db2.gz MUUMSDZXXWKKLI-DQPZFDDXSA-N 1 0 323.358 4.105 20 30 DIEDRO CCCCCCCCOC(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001194747699 1049417139 /nfs/dbraw/zinc/41/71/39/1049417139.db2.gz GSYGCXNWKGOXPI-UHFFFAOYSA-N 1 0 312.498 4.194 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CCC12CC[NH+](C)CC2 ZINC000775606766 1049426271 /nfs/dbraw/zinc/42/62/71/1049426271.db2.gz CAHIHYKVCKWPPD-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC001181042537 1049429824 /nfs/dbraw/zinc/42/98/24/1049429824.db2.gz HCNKLAVZFGGKQY-LBPRGKRZSA-N 1 0 314.242 4.465 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C2(c3cccc(OC)c3)CC2)cc1 ZINC000777157574 1049430690 /nfs/dbraw/zinc/43/06/90/1049430690.db2.gz UZCGJEHZQDTWDS-INIZCTEOSA-N 1 0 321.420 4.047 20 30 DIEDRO C[C@@H]1CC[C@H](Nc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC001205320605 1049438012 /nfs/dbraw/zinc/43/80/12/1049438012.db2.gz KMPUNIHQKMVONJ-UTKZUKDTSA-N 1 0 319.452 4.218 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001181122630 1049442559 /nfs/dbraw/zinc/44/25/59/1049442559.db2.gz MSHBCWPRXBXDNK-MOPGFXCFSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001181122631 1049442717 /nfs/dbraw/zinc/44/27/17/1049442717.db2.gz MSHBCWPRXBXDNK-OALUTQOASA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001181122952 1049442731 /nfs/dbraw/zinc/44/27/31/1049442731.db2.gz ZNPHQZCIFANQOI-KRWDZBQOSA-N 1 0 318.505 4.361 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001181135319 1049446128 /nfs/dbraw/zinc/44/61/28/1049446128.db2.gz UTQAWHCZGNECFQ-KSZLIROESA-N 1 0 310.526 4.218 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC001194922616 1049449101 /nfs/dbraw/zinc/44/91/01/1049449101.db2.gz ZFEYTDLVMXHWJZ-OAHLLOKOSA-N 1 0 309.251 4.337 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(F)cc(F)c1 ZINC001181162435 1049453025 /nfs/dbraw/zinc/45/30/25/1049453025.db2.gz HRGYCGABDSZQPP-LLVKDONJSA-N 1 0 320.770 4.383 20 30 DIEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001194953764 1049454486 /nfs/dbraw/zinc/45/44/86/1049454486.db2.gz UCFNOWWBCFOCLR-GUYCJALGSA-N 1 0 306.837 4.301 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)CCCc1cccnc1 ZINC001195015147 1049457490 /nfs/dbraw/zinc/45/74/90/1049457490.db2.gz SOBJFFUKSZSTJE-QGZVFWFLSA-N 1 0 307.441 4.071 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2ccc(OC)c(OC)c2F)CCCC1(C)C ZINC001181296639 1049459598 /nfs/dbraw/zinc/45/95/98/1049459598.db2.gz BLVXSRACGYAJLX-INIZCTEOSA-N 1 0 321.436 4.410 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000486768314 1049467405 /nfs/dbraw/zinc/46/74/05/1049467405.db2.gz BXHHBRJPVIOUHU-QZTJIDSGSA-N 1 0 314.498 4.348 20 30 DIEDRO CSc1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC001205450676 1049474804 /nfs/dbraw/zinc/47/48/04/1049474804.db2.gz QFHMIFZFXGJNQO-UHFFFAOYSA-N 1 0 308.450 4.122 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC001195093412 1049476349 /nfs/dbraw/zinc/47/63/49/1049476349.db2.gz IPEFWFKFQXBEGI-UHFFFAOYSA-N 1 0 306.400 4.159 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc2nccnc2c1 ZINC001181409372 1049476733 /nfs/dbraw/zinc/47/67/33/1049476733.db2.gz BYNGPYZSKJYMLL-UHFFFAOYSA-N 1 0 303.409 4.208 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001181436352 1049481811 /nfs/dbraw/zinc/48/18/11/1049481811.db2.gz PYLONHSLPFMRAH-JXFKEZNVSA-N 1 0 322.839 4.346 20 30 DIEDRO Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC001181435206 1049482421 /nfs/dbraw/zinc/48/24/21/1049482421.db2.gz AOFRLEQWJTWXBT-IERDGZPVSA-N 1 0 304.437 4.465 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC001195147106 1049484121 /nfs/dbraw/zinc/48/41/21/1049484121.db2.gz ISJSTBVYHCVIOE-INIZCTEOSA-N 1 0 323.358 4.059 20 30 DIEDRO C#C[C@@H](CC)[NH2+]Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001181577419 1049491327 /nfs/dbraw/zinc/49/13/27/1049491327.db2.gz SSWLVYVKBPOCKL-INIZCTEOSA-N 1 0 319.326 4.398 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](CC)CCc1ccc(Br)cc1)C(C)C ZINC001181578171 1049492036 /nfs/dbraw/zinc/49/20/36/1049492036.db2.gz XXIVBAYOBUYOQY-IRXDYDNUSA-N 1 0 322.290 4.408 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000775640601 1049492256 /nfs/dbraw/zinc/49/22/56/1049492256.db2.gz GIPKSEMORLJLSQ-UHFFFAOYSA-N 1 0 308.400 4.185 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2cccnc2Br)CCCC1(C)C ZINC001205569847 1049500235 /nfs/dbraw/zinc/50/02/35/1049500235.db2.gz XWZZPZFGPBMZOP-AWEZNQCLSA-N 1 0 323.278 4.411 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)cc1 ZINC001204303481 1049501396 /nfs/dbraw/zinc/50/13/96/1049501396.db2.gz KCEMJABYQDHEKH-MRXNPFEDSA-N 1 0 311.425 4.453 20 30 DIEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001195250663 1049502124 /nfs/dbraw/zinc/50/21/24/1049502124.db2.gz NRPHSONIDVGSDS-FQEVSTJZSA-N 1 0 320.436 4.205 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)Cc1ccc(Cl)cc1 ZINC001205576447 1049502214 /nfs/dbraw/zinc/50/22/14/1049502214.db2.gz XPRJFSNBCUIGPY-NXHRZFHOSA-N 1 0 307.865 4.232 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCCC[C@@H]1CC ZINC001181697603 1049508675 /nfs/dbraw/zinc/50/86/75/1049508675.db2.gz LKGWXSBUXMLCNB-IRXDYDNUSA-N 1 0 305.462 4.366 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@H](COC)c2ccc(Cl)cc2)cc1 ZINC001205608839 1049510057 /nfs/dbraw/zinc/51/00/57/1049510057.db2.gz LDRZULGYSXTNNK-LJQANCHMSA-N 1 0 313.828 4.141 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CCCOC)Cc2ccccc2)C1 ZINC001205639380 1049518504 /nfs/dbraw/zinc/51/85/04/1049518504.db2.gz AXXNBHGWSWZLDG-RLLQIKCJSA-N 1 0 301.474 4.359 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001195350061 1049518945 /nfs/dbraw/zinc/51/89/45/1049518945.db2.gz NXDTXFBDILARLD-IAGOWNOFSA-N 1 0 324.509 4.288 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000246333875 1049526088 /nfs/dbraw/zinc/52/60/88/1049526088.db2.gz IJEQDYNLRXMSTR-JXXFODFXSA-N 1 0 306.409 4.081 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000119260113 1049530797 /nfs/dbraw/zinc/53/07/97/1049530797.db2.gz CMKDTEWXYLDCRO-GDBMZVCRSA-N 1 0 323.864 4.426 20 30 DIEDRO C[N@H+](CCC(C)(C)C)Cc1cc(C#N)ccc1Br ZINC001195497898 1049537029 /nfs/dbraw/zinc/53/70/29/1049537029.db2.gz LGNQBTJHKXQAMF-UHFFFAOYSA-N 1 0 309.251 4.189 20 30 DIEDRO C#C[C@@H](CC)[NH2+][C@H](CC)CCc1ccc(Br)cc1 ZINC001205713595 1049540038 /nfs/dbraw/zinc/54/00/38/1049540038.db2.gz DLJZOUJCQXNXPM-JKSUJKDBSA-N 1 0 308.263 4.162 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001181891949 1049540913 /nfs/dbraw/zinc/54/09/13/1049540913.db2.gz HHSOBQZKAGGPKK-SPUZQDLCSA-N 1 0 305.849 4.299 20 30 DIEDRO C=CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001205736086 1049547333 /nfs/dbraw/zinc/54/73/33/1049547333.db2.gz PGZXBHDQWMOJKB-LJQANCHMSA-N 1 0 324.509 4.360 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000119378203 1049552728 /nfs/dbraw/zinc/55/27/28/1049552728.db2.gz JTAXCEGLBUIJIL-KRWDZBQOSA-N 1 0 307.441 4.229 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001205755248 1049554962 /nfs/dbraw/zinc/55/49/62/1049554962.db2.gz FWQGJDLRJCXAPA-QFIPXVFZSA-N 1 0 303.449 4.482 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000487561227 1049558096 /nfs/dbraw/zinc/55/80/96/1049558096.db2.gz OIJHOPCEHOEWSS-INIZCTEOSA-N 1 0 308.450 4.068 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccccc1Cl ZINC000487568940 1049560421 /nfs/dbraw/zinc/56/04/21/1049560421.db2.gz HUOXKUADKDONDB-AWEZNQCLSA-N 1 0 314.816 4.283 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC001182109716 1049570698 /nfs/dbraw/zinc/57/06/98/1049570698.db2.gz RMCRGEUMGPDRAY-CYBMUJFWSA-N 1 0 300.368 4.367 20 30 DIEDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)c2ccccc21 ZINC000863580534 1049571805 /nfs/dbraw/zinc/57/18/05/1049571805.db2.gz MIVIWHWMFCHGGN-ACRUOGEOSA-N 1 0 320.436 4.066 20 30 DIEDRO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001195851873 1049573915 /nfs/dbraw/zinc/57/39/15/1049573915.db2.gz QTZHXKQCZBFOFJ-IBGZPJMESA-N 1 0 312.363 4.000 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)cc1C#N ZINC001195851781 1049574764 /nfs/dbraw/zinc/57/47/64/1049574764.db2.gz PCIMDINRTBRTEX-FQEVSTJZSA-N 1 0 308.400 4.169 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC001182152112 1049577682 /nfs/dbraw/zinc/57/76/82/1049577682.db2.gz JAZLUZBJFNIUAH-LIRRHRJNSA-N 1 0 313.828 4.331 20 30 DIEDRO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCC[C@@H]1C ZINC000487988829 1049589297 /nfs/dbraw/zinc/58/92/97/1049589297.db2.gz OBZOIBFZVXBJQN-LPHOPBHVSA-N 1 0 314.473 4.125 20 30 DIEDRO C#CCCCCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000119618460 1049591812 /nfs/dbraw/zinc/59/18/12/1049591812.db2.gz VYRYZSLOIYWSLO-QGZVFWFLSA-N 1 0 312.457 4.193 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC001195947824 1049598880 /nfs/dbraw/zinc/59/88/80/1049598880.db2.gz YTZOFOOBOIPMIL-CQSZACIVSA-N 1 0 300.377 4.269 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC001195947356 1049598929 /nfs/dbraw/zinc/59/89/29/1049598929.db2.gz SVIFSEFMXMWSDU-YOEHRIQHSA-N 1 0 318.848 4.121 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001195954930 1049599092 /nfs/dbraw/zinc/59/90/92/1049599092.db2.gz MYEQYYWNOSGERR-LRDDRELGSA-N 1 0 314.256 4.315 20 30 DIEDRO C[C@H](C[NH2+]C(C)(C)c1cccc(C#N)c1)COCc1ccccc1 ZINC001196039729 1049609462 /nfs/dbraw/zinc/60/94/62/1049609462.db2.gz QCNIUFLQGHYFKR-QGZVFWFLSA-N 1 0 322.452 4.236 20 30 DIEDRO COc1cccc(CCC[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC001196040405 1049609525 /nfs/dbraw/zinc/60/95/25/1049609525.db2.gz WBIDCABDANBGAK-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO CC[C@H]([NH2+]CCCSc1nccs1)c1ccc(C#N)cc1 ZINC000774204180 1049623171 /nfs/dbraw/zinc/62/31/71/1049623171.db2.gz XEBXAGQKWCIYNZ-HNNXBMFYSA-N 1 0 317.483 4.238 20 30 DIEDRO C=CC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C(C)(C)C ZINC001196198397 1049628687 /nfs/dbraw/zinc/62/86/87/1049628687.db2.gz KPRQWXBJSKFUHT-AWEZNQCLSA-N 1 0 302.245 4.313 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000774246339 1049635102 /nfs/dbraw/zinc/63/51/02/1049635102.db2.gz YJJCXTOAMSAXQU-MAUKXSAKSA-N 1 0 310.397 4.128 20 30 DIEDRO CC[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000774270948 1049641312 /nfs/dbraw/zinc/64/13/12/1049641312.db2.gz RMIPUNZWMWYFKF-VQTJNVASSA-N 1 0 320.436 4.113 20 30 DIEDRO N#Cc1ccc(C=CNc2ccccc2C[NH+]2CCCC2)cc1 ZINC001203305216 1049647262 /nfs/dbraw/zinc/64/72/62/1049647262.db2.gz AKDZDEIXXCUWMW-VAWYXSNFSA-N 1 0 303.409 4.237 20 30 DIEDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000794604603 1049647827 /nfs/dbraw/zinc/64/78/27/1049647827.db2.gz PAIPXZSJPRUACW-ZBFHGGJFSA-N 1 0 324.877 4.006 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)c(C)c2)s1 ZINC000488420123 1049649755 /nfs/dbraw/zinc/64/97/55/1049649755.db2.gz IEOGRWYAWHDNED-CQSZACIVSA-N 1 0 313.470 4.387 20 30 DIEDRO CCc1nc2ccccc2n1[NH+]=CCCc1ccc2c(c1)CCO2 ZINC000774361339 1049650341 /nfs/dbraw/zinc/65/03/41/1049650341.db2.gz KMUVJRMFKQUWKA-UHFFFAOYSA-N 1 0 319.408 4.000 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC001196441720 1049653543 /nfs/dbraw/zinc/65/35/43/1049653543.db2.gz MBMAKXZVYLQXGL-JTQLQIEISA-N 1 0 305.290 4.382 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC001196480595 1049658879 /nfs/dbraw/zinc/65/88/79/1049658879.db2.gz WNHGQBOVEUJVDA-CQSZACIVSA-N 1 0 324.490 4.080 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000774447459 1049665191 /nfs/dbraw/zinc/66/51/91/1049665191.db2.gz HLRRVXUCHMPZOQ-HXUWFJFHSA-N 1 0 309.384 4.079 20 30 DIEDRO C#CCCCCC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000120090022 1049665460 /nfs/dbraw/zinc/66/54/60/1049665460.db2.gz XWMQCFSJVHYIGZ-UHFFFAOYSA-N 1 0 312.457 4.180 20 30 DIEDRO CC(C)[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000794693890 1049670175 /nfs/dbraw/zinc/67/01/75/1049670175.db2.gz WXSRAEJAJGHLPB-JXFKEZNVSA-N 1 0 308.425 4.063 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001182491222 1049682091 /nfs/dbraw/zinc/68/20/91/1049682091.db2.gz VOGHAKDEYJHGEE-ZNMIVQPWSA-N 1 0 310.482 4.013 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000774513795 1049685164 /nfs/dbraw/zinc/68/51/64/1049685164.db2.gz UMDSIUYLRIQFIH-HRCADAONSA-N 1 0 310.482 4.109 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001196736041 1049686058 /nfs/dbraw/zinc/68/60/58/1049686058.db2.gz KDSFRPLEPTWQBI-HNNXBMFYSA-N 1 0 301.261 4.152 20 30 DIEDRO C=CCC1([NH2+]C[C@@H]2CN(C3CCCCC3)C(=O)O2)CCCCC1 ZINC001196951970 1049708019 /nfs/dbraw/zinc/70/80/19/1049708019.db2.gz BDNLQTQUOUYDFR-QGZVFWFLSA-N 1 0 320.477 4.009 20 30 DIEDRO C=CCC1([NH2+][C@@H](C)Cc2ccccc2SCC)CCOCC1 ZINC001182795861 1049709474 /nfs/dbraw/zinc/70/94/74/1049709474.db2.gz MFLUIHIWVPKJQJ-INIZCTEOSA-N 1 0 319.514 4.445 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(Cl)cc2C)CCCCC1 ZINC001196952642 1049709556 /nfs/dbraw/zinc/70/95/56/1049709556.db2.gz JJZXCOGOYRRKIH-UHFFFAOYSA-N 1 0 320.864 4.456 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(C)c(C)c2)CCCCC1 ZINC001196953501 1049709945 /nfs/dbraw/zinc/70/99/45/1049709945.db2.gz XWIAWSQWEKNXCI-UHFFFAOYSA-N 1 0 300.446 4.111 20 30 DIEDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001182765161 1049713196 /nfs/dbraw/zinc/71/31/96/1049713196.db2.gz QYWILCYSRSMCRE-NRFANRHFSA-N 1 0 319.448 4.144 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001197135981 1049720834 /nfs/dbraw/zinc/72/08/34/1049720834.db2.gz SVUNWJCBHGOTKV-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC001206358965 1049720815 /nfs/dbraw/zinc/72/08/15/1049720815.db2.gz YRIMZTFPKJYCKF-NEPXVJNWSA-N 1 0 319.876 4.232 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)cc1C#N ZINC001197078252 1049720981 /nfs/dbraw/zinc/72/09/81/1049720981.db2.gz TXTMOJNKQOKSKF-FQEVSTJZSA-N 1 0 308.400 4.328 20 30 DIEDRO C=CCC[NH2+][C@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C ZINC001197246176 1049731690 /nfs/dbraw/zinc/73/16/90/1049731690.db2.gz PJOKCGSTFWJXLU-INIZCTEOSA-N 1 0 316.445 4.427 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@H]3CCc4ccccc43)CCC2)cc1 ZINC001206456869 1049737867 /nfs/dbraw/zinc/73/78/67/1049737867.db2.gz QISGHCHTZZTHCG-GOSISDBHSA-N 1 0 302.421 4.257 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401565 1049746925 /nfs/dbraw/zinc/74/69/25/1049746925.db2.gz BLVXSXXZVJLRFX-QGZVFWFLSA-N 1 0 322.456 4.196 20 30 DIEDRO N#Cc1ccc(Oc2ccc(Nc3cc[nH+]c(N)c3)cc2)cc1 ZINC001206577801 1049760513 /nfs/dbraw/zinc/76/05/13/1049760513.db2.gz GMXJIYCTCAELQK-UHFFFAOYSA-N 1 0 302.337 4.071 20 30 DIEDRO C=CCCSCC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001206591705 1049763754 /nfs/dbraw/zinc/76/37/54/1049763754.db2.gz UPPDPSVNXVIQBB-IRXDYDNUSA-N 1 0 305.487 4.131 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000489563073 1049768794 /nfs/dbraw/zinc/76/87/94/1049768794.db2.gz BHXPPSNCRMMJJF-LJQANCHMSA-N 1 0 312.363 4.044 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1 ZINC001206613087 1049769557 /nfs/dbraw/zinc/76/95/57/1049769557.db2.gz REVQACUIDSPJFQ-OAHLLOKOSA-N 1 0 310.482 4.158 20 30 DIEDRO CCOc1cc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)ccc1O ZINC000489741547 1049780562 /nfs/dbraw/zinc/78/05/62/1049780562.db2.gz MHSWWALZTNMFAF-OAHLLOKOSA-N 1 0 324.424 4.246 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1sc(C)cc1Br ZINC001206697538 1049780974 /nfs/dbraw/zinc/78/09/74/1049780974.db2.gz XVCHYDYTICIJSD-UHFFFAOYSA-N 1 0 314.292 4.492 20 30 DIEDRO C[C@@]1(C#N)CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001206744261 1049790496 /nfs/dbraw/zinc/79/04/96/1049790496.db2.gz XLCJHIYFCFZFDR-QFIPXVFZSA-N 1 0 318.464 4.324 20 30 DIEDRO Cc1cccc(CC2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)C2)c1 ZINC001206761212 1049794133 /nfs/dbraw/zinc/79/41/33/1049794133.db2.gz AUILDQUEWNCLLV-UHFFFAOYSA-N 1 0 318.464 4.471 20 30 DIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000490062089 1049797731 /nfs/dbraw/zinc/79/77/31/1049797731.db2.gz ZBRAUBSYPWYFBW-SFHVURJKSA-N 1 0 314.816 4.031 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC001206781098 1049797923 /nfs/dbraw/zinc/79/79/23/1049797923.db2.gz XDARUZWMYWITGE-AEFFLSMTSA-N 1 0 306.494 4.035 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC001206800868 1049800785 /nfs/dbraw/zinc/80/07/85/1049800785.db2.gz PCSJICOEQKCSOH-HNNXBMFYSA-N 1 0 315.848 4.232 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC001206800775 1049800823 /nfs/dbraw/zinc/80/08/23/1049800823.db2.gz MUEROUULCQTION-KRWDZBQOSA-N 1 0 323.411 4.250 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001206801621 1049801625 /nfs/dbraw/zinc/80/16/25/1049801625.db2.gz WZBWALJMKQOMEJ-MRXNPFEDSA-N 1 0 309.384 4.463 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC001206800870 1049802580 /nfs/dbraw/zinc/80/25/80/1049802580.db2.gz PCSJICOEQKCSOH-OAHLLOKOSA-N 1 0 315.848 4.232 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912869003 1049812245 /nfs/dbraw/zinc/81/22/45/1049812245.db2.gz OBFOSPGMVXALPR-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO CCC[N@H+](Cc1csc(C#N)c1)Cc1ccc(OC)cc1 ZINC001207128992 1049840747 /nfs/dbraw/zinc/84/07/47/1049840747.db2.gz IYBTWHDGTAWCDA-UHFFFAOYSA-N 1 0 300.427 4.041 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC001207174264 1049849482 /nfs/dbraw/zinc/84/94/82/1049849482.db2.gz HQVRCRSJTBGZOZ-WOJBJXKFSA-N 1 0 300.490 4.376 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OC(F)F)cc1 ZINC000151235932 1049860320 /nfs/dbraw/zinc/86/03/20/1049860320.db2.gz VREMCAXNIBDIRP-OAHLLOKOSA-N 1 0 322.380 4.462 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207197423 1049860434 /nfs/dbraw/zinc/86/04/34/1049860434.db2.gz PUVACXYOAIYLHN-PKOBYXMFSA-N 1 0 310.828 4.447 20 30 DIEDRO CC(C)c1ccc(CC[N@H+](C)CCc2cccc(C#N)c2)cc1 ZINC001207218543 1049864830 /nfs/dbraw/zinc/86/48/30/1049864830.db2.gz OCEIVEZCXYMDRQ-UHFFFAOYSA-N 1 0 306.453 4.399 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CCC1CCCCC1)C2 ZINC001207256741 1049871530 /nfs/dbraw/zinc/87/15/30/1049871530.db2.gz LRPJZDOARPIPJE-UXHICEINSA-N 1 0 321.505 4.031 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC001207348305 1049881789 /nfs/dbraw/zinc/88/17/89/1049881789.db2.gz LXJPZWULIIROCG-IAQYHMDHSA-N 1 0 321.262 4.354 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001207406791 1049887319 /nfs/dbraw/zinc/88/73/19/1049887319.db2.gz KBCGHRIQDHWYAL-RTBURBONSA-N 1 0 318.505 4.280 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@@H](C[NH+]2CCC(CC#N)CC2)CC1 ZINC001207408608 1049889215 /nfs/dbraw/zinc/88/92/15/1049889215.db2.gz ZMZONCMBJKYSSE-LJQANCHMSA-N 1 0 318.505 4.280 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001207411164 1049889438 /nfs/dbraw/zinc/88/94/38/1049889438.db2.gz GHUIVJIFFCQRPF-MOPGFXCFSA-N 1 0 318.505 4.280 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@H](C[NH+]2CCC(S)CC2)CC1 ZINC001207410396 1049889541 /nfs/dbraw/zinc/88/95/41/1049889541.db2.gz CEZXHZDHJFBWOE-INIZCTEOSA-N 1 0 311.535 4.048 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@@H](C[NH+]2CCC(S)CC2)CC1 ZINC001207410402 1049889633 /nfs/dbraw/zinc/88/96/33/1049889633.db2.gz CEZXHZDHJFBWOE-MRXNPFEDSA-N 1 0 311.535 4.048 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](CCCc2ccccc2F)CC1 ZINC001207490488 1049896904 /nfs/dbraw/zinc/89/69/04/1049896904.db2.gz SBTZSTMWSFPICU-UHFFFAOYSA-N 1 0 322.427 4.316 20 30 DIEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586779760 1049898221 /nfs/dbraw/zinc/89/82/21/1049898221.db2.gz ZAKLCGQILRPVJP-LPHOPBHVSA-N 1 0 314.473 4.003 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000586778933 1049899005 /nfs/dbraw/zinc/89/90/05/1049899005.db2.gz CEWPOLWACGWKKL-COLJXDCZSA-N 1 0 310.347 4.127 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791334 1049900249 /nfs/dbraw/zinc/90/02/49/1049900249.db2.gz ZIUVFCSEXZOPOO-BBRMVZONSA-N 1 0 321.380 4.229 20 30 DIEDRO CCCC[N@H+](CCC#N)CCc1cccc(Br)c1 ZINC001207504864 1049900704 /nfs/dbraw/zinc/90/07/04/1049900704.db2.gz JLYOXDFFHHLDQL-UHFFFAOYSA-N 1 0 309.251 4.007 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)cc1C#N ZINC001207502759 1049901202 /nfs/dbraw/zinc/90/12/02/1049901202.db2.gz ZVSXFFIOFKLMKK-RTWAWAEBSA-N 1 0 304.437 4.467 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1C#N ZINC001207535707 1049906098 /nfs/dbraw/zinc/90/60/98/1049906098.db2.gz LMVXMXLNJIJNRZ-DOTOQJQBSA-N 1 0 300.471 4.339 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001207557193 1049908761 /nfs/dbraw/zinc/90/87/61/1049908761.db2.gz BQDVKFNEURVXIN-ZVGANLFFSA-N 1 0 308.469 4.272 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1c(C(C)C)nc2sc(C)nn12 ZINC001207736091 1049931812 /nfs/dbraw/zinc/93/18/12/1049931812.db2.gz ZLGHFNZIPWAJKJ-UHFFFAOYSA-N 1 0 306.479 4.011 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC001207736088 1049931899 /nfs/dbraw/zinc/93/18/99/1049931899.db2.gz ZJNJLZJIEYUEND-UHFFFAOYSA-N 1 0 301.409 4.014 20 30 DIEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000571569295 1049937162 /nfs/dbraw/zinc/93/71/62/1049937162.db2.gz YKTHCLJIIADVTA-RDJZCZTQSA-N 1 0 316.445 4.141 20 30 DIEDRO C=CC[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001207772566 1049937535 /nfs/dbraw/zinc/93/75/35/1049937535.db2.gz LRYIAHKXXCUREC-UHFFFAOYSA-N 1 0 322.493 4.064 20 30 DIEDRO CCCCCCC[N@H+](C)C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001207777376 1049938799 /nfs/dbraw/zinc/93/87/99/1049938799.db2.gz YNRZQPDRLXIAOL-OSYLJGHBSA-N 1 0 324.509 4.002 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)CC1(C)COC1 ZINC001207800539 1049940269 /nfs/dbraw/zinc/94/02/69/1049940269.db2.gz UMCZJSOOEBVRIN-QGZVFWFLSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCCCC[N@@H+](C)CC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207818679 1049941317 /nfs/dbraw/zinc/94/13/17/1049941317.db2.gz WIRJKQVUDJRYKX-UHFFFAOYSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CC[N@@H+](CC1(C)CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC001207816981 1049942249 /nfs/dbraw/zinc/94/22/49/1049942249.db2.gz VRZWSABJXVDFFA-UHFFFAOYSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(N2CCOCC2)CC1 ZINC001207896759 1049950242 /nfs/dbraw/zinc/95/02/42/1049950242.db2.gz UOZNRRXDCYZPET-UHFFFAOYSA-N 1 0 322.537 4.090 20 30 DIEDRO C=CCCCCCCCCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001207899280 1049951078 /nfs/dbraw/zinc/95/10/78/1049951078.db2.gz SZOGTAKONNOMGH-SFHVURJKSA-N 1 0 304.482 4.222 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCN(CC(F)F)CC1 ZINC001207900202 1049951879 /nfs/dbraw/zinc/95/18/79/1049951879.db2.gz YBRBCRHDFYGMMC-UHFFFAOYSA-N 1 0 302.453 4.176 20 30 DIEDRO C=CCCCCCCCCC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001207900106 1049951981 /nfs/dbraw/zinc/95/19/81/1049951981.db2.gz TZIVHFRJCSCVOC-SFHVURJKSA-N 1 0 304.482 4.222 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CC(N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001207899615 1049953402 /nfs/dbraw/zinc/95/34/02/1049953402.db2.gz ISVZMUMABKXXRE-OALUTQOASA-N 1 0 322.537 4.087 20 30 DIEDRO C[C@H](C[NH+]1CCC(C#N)(c2ccccc2F)CC1)c1ccccc1 ZINC001207912983 1049954760 /nfs/dbraw/zinc/95/47/60/1049954760.db2.gz AQHYXOCKCBJONX-QGZVFWFLSA-N 1 0 322.427 4.487 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)sc2C)c1 ZINC000760675540 1049957057 /nfs/dbraw/zinc/95/70/57/1049957057.db2.gz RYWOAXXIDYOJEJ-QGZVFWFLSA-N 1 0 314.454 4.336 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001208120781 1049975496 /nfs/dbraw/zinc/97/54/96/1049975496.db2.gz TXXHSGVZKUSCRJ-PQAPVRDISA-N 1 0 307.400 4.006 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(c2noc(C)n2)CC1 ZINC001208118754 1049975542 /nfs/dbraw/zinc/97/55/42/1049975542.db2.gz NYCIKHFFZLXQLX-MDZDMXLPSA-N 1 0 305.466 4.474 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000588231360 1049976864 /nfs/dbraw/zinc/97/68/64/1049976864.db2.gz KJDDVGOQUHSDEN-ONGXEEELSA-N 1 0 318.289 4.156 20 30 DIEDRO CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000588231053 1049977011 /nfs/dbraw/zinc/97/70/11/1049977011.db2.gz YGYFGQPYBQOKML-RYRKJORJSA-N 1 0 300.446 4.249 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)C[C@H]1CC[C@H](C(=O)OC)CC1 ZINC001208631263 1049997725 /nfs/dbraw/zinc/99/77/25/1049997725.db2.gz SNBXQYVHKGRXLE-WGSAOQKQSA-N 1 0 315.457 4.044 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000588972402 1050015692 /nfs/dbraw/zinc/01/56/92/1050015692.db2.gz GJYFMHCTRCUJGA-HXUWFJFHSA-N 1 0 308.425 4.458 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCc2cccc(C#N)c2)cn1 ZINC001208850801 1050016589 /nfs/dbraw/zinc/01/65/89/1050016589.db2.gz JAWWJSPHFHWZCR-FQEVSTJZSA-N 1 0 305.425 4.031 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2CCCc2cccc(C#N)c2)c1 ZINC001208851250 1050017079 /nfs/dbraw/zinc/01/70/79/1050017079.db2.gz VBIPGVSWOPQCEM-OAQYLSRUSA-N 1 0 320.436 4.337 20 30 DIEDRO N#Cc1ccc(CCC[NH+]2CCC(c3cccs3)CC2)cc1 ZINC001208858254 1050017428 /nfs/dbraw/zinc/01/74/28/1050017428.db2.gz JSGSQVJRMVQINL-UHFFFAOYSA-N 1 0 310.466 4.432 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](CCCc1ccccc1Cl)CC2 ZINC001208871574 1050018462 /nfs/dbraw/zinc/01/84/62/1050018462.db2.gz LVTYLBWEUCNZOY-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc1 ZINC001208863993 1050018903 /nfs/dbraw/zinc/01/89/03/1050018903.db2.gz GXKYYAAUNXXFME-KDURUIRLSA-N 1 0 302.421 4.078 20 30 DIEDRO N#Cc1ccc(CCC[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC001208859944 1050019003 /nfs/dbraw/zinc/01/90/03/1050019003.db2.gz DUSZXIKUDSOSGW-UHFFFAOYSA-N 1 0 320.436 4.034 20 30 DIEDRO C[N@H+](CCCc1ccc(C#N)cc1)CCc1cccc(Cl)c1 ZINC001208862316 1050019138 /nfs/dbraw/zinc/01/91/38/1050019138.db2.gz IAVVEDHTIHJDAL-UHFFFAOYSA-N 1 0 312.844 4.319 20 30 DIEDRO C[C@H](C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC001208895188 1050020850 /nfs/dbraw/zinc/02/08/50/1050020850.db2.gz ALAXIVIBNDXZAL-CYBMUJFWSA-N 1 0 310.363 4.011 20 30 DIEDRO COC[C@@H](C)[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000589160064 1050022898 /nfs/dbraw/zinc/02/28/98/1050022898.db2.gz MUCCYNAVJALESY-IIBYNOLFSA-N 1 0 320.436 4.083 20 30 DIEDRO COC[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000589160065 1050023024 /nfs/dbraw/zinc/02/30/24/1050023024.db2.gz MUCCYNAVJALESY-KKSFZXQISA-N 1 0 320.436 4.083 20 30 DIEDRO COC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000589160118 1050023152 /nfs/dbraw/zinc/02/31/52/1050023152.db2.gz UDDVGKHWFFKJBB-IIBYNOLFSA-N 1 0 320.436 4.083 20 30 DIEDRO COC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000589160113 1050023447 /nfs/dbraw/zinc/02/34/47/1050023447.db2.gz UDDVGKHWFFKJBB-HRAATJIYSA-N 1 0 320.436 4.083 20 30 DIEDRO N#Cc1ccc(CC[NH+]2CCC(Cc3ccccc3F)CC2)cc1 ZINC001208926463 1050023441 /nfs/dbraw/zinc/02/34/41/1050023441.db2.gz STYPQVXSQUKWMB-UHFFFAOYSA-N 1 0 322.427 4.195 20 30 DIEDRO CC[N@H+](CCc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208920436 1050023513 /nfs/dbraw/zinc/02/35/13/1050023513.db2.gz IFPHYJKIWFSHNZ-QGZVFWFLSA-N 1 0 322.452 4.062 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC001208928105 1050024699 /nfs/dbraw/zinc/02/46/99/1050024699.db2.gz UOUUKPODTJGTCE-UHFFFAOYSA-N 1 0 318.342 4.252 20 30 DIEDRO N#Cc1ccc(CC[NH+]2CCC(Sc3ccccc3)CC2)cc1 ZINC001208928467 1050025298 /nfs/dbraw/zinc/02/52/98/1050025298.db2.gz CMAOYHWZUGECNW-UHFFFAOYSA-N 1 0 322.477 4.357 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000589300387 1050025580 /nfs/dbraw/zinc/02/55/80/1050025580.db2.gz SAUXNLVYVAMDSN-OALUTQOASA-N 1 0 324.468 4.021 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001208928160 1050026178 /nfs/dbraw/zinc/02/61/78/1050026178.db2.gz WPBZKFRGMZGUHT-SFHVURJKSA-N 1 0 310.828 4.244 20 30 DIEDRO COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589337800 1050027340 /nfs/dbraw/zinc/02/73/40/1050027340.db2.gz ZZEBXZOQCZCZEI-LJQANCHMSA-N 1 0 320.436 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CSCc3ccccc31)CC2 ZINC000589336747 1050027638 /nfs/dbraw/zinc/02/76/38/1050027638.db2.gz HUETYQNAMJJSOJ-RBUKOAKNSA-N 1 0 306.434 4.123 20 30 DIEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000589344143 1050028046 /nfs/dbraw/zinc/02/80/46/1050028046.db2.gz XAKRQYPXKHVNGW-QFUCXCTJSA-N 1 0 320.436 4.261 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1nccc2ccccc21 ZINC000589343255 1050028751 /nfs/dbraw/zinc/02/87/51/1050028751.db2.gz CSXOPJUYBJVKTD-XOBRGWDASA-N 1 0 313.404 4.445 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000589319890 1050029224 /nfs/dbraw/zinc/02/92/24/1050029224.db2.gz XUYKMYQVOZIOAX-UHFFFAOYSA-N 1 0 308.859 4.285 20 30 DIEDRO C=CCN(Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951874 1050029514 /nfs/dbraw/zinc/02/95/14/1050029514.db2.gz FTSLAMILXGKSGA-JOCHJYFZSA-N 1 0 320.480 4.197 20 30 DIEDRO COCCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001209053107 1050032536 /nfs/dbraw/zinc/03/25/36/1050032536.db2.gz AHWMWCGZUBXXDE-KRWDZBQOSA-N 1 0 308.425 4.158 20 30 DIEDRO N#CCC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC001209128965 1050038314 /nfs/dbraw/zinc/03/83/14/1050038314.db2.gz OAVIPTFLFRUKQN-UHFFFAOYSA-N 1 0 310.363 4.406 20 30 DIEDRO C=CCCC[N@H+]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001209158616 1050040330 /nfs/dbraw/zinc/04/03/30/1050040330.db2.gz SHEJLVPMIPWQAR-UHFFFAOYSA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCC[N@H+]1CCc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC001209164161 1050040385 /nfs/dbraw/zinc/04/03/85/1050040385.db2.gz UDYVMLSFXXNBKF-UHFFFAOYSA-N 1 0 316.445 4.358 20 30 DIEDRO C=CCCC[NH+]1CCC2(CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001209157704 1050040804 /nfs/dbraw/zinc/04/08/04/1050040804.db2.gz ZZFCSOJKJKLHFU-UHFFFAOYSA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001209158388 1050041086 /nfs/dbraw/zinc/04/10/86/1050041086.db2.gz MUPHFIRUEGZCNW-LJQANCHMSA-N 1 0 322.493 4.208 20 30 DIEDRO CCn1ccc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000589513879 1050042279 /nfs/dbraw/zinc/04/22/79/1050042279.db2.gz PCHXOFVEPLCBOX-UHFFFAOYSA-N 1 0 321.346 4.030 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cscc1C(F)(F)F ZINC000589512965 1050042629 /nfs/dbraw/zinc/04/26/29/1050042629.db2.gz LNVNZFQJRWMGKC-OAHLLOKOSA-N 1 0 322.355 4.416 20 30 DIEDRO C=CCCCC[N@@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001209202348 1050043530 /nfs/dbraw/zinc/04/35/30/1050043530.db2.gz BHFACZSDGVQFRF-UXHICEINSA-N 1 0 314.473 4.057 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21 ZINC001209424072 1050057263 /nfs/dbraw/zinc/05/72/63/1050057263.db2.gz JCNOIYMJAQEYEV-GUDVDZBRSA-N 1 0 309.494 4.027 20 30 DIEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209428217 1050057561 /nfs/dbraw/zinc/05/75/61/1050057561.db2.gz BVHNULRQEKGQIX-QGZVFWFLSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001209423622 1050057584 /nfs/dbraw/zinc/05/75/84/1050057584.db2.gz VEVFSTVICHKQCT-KRWDZBQOSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCC[N@@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001209423656 1050057911 /nfs/dbraw/zinc/05/79/11/1050057911.db2.gz BRERFARYUALRPC-UHFFFAOYSA-N 1 0 321.468 4.291 20 30 DIEDRO C=CCCCCC[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001209432060 1050058638 /nfs/dbraw/zinc/05/86/38/1050058638.db2.gz YBEMYXBYAVITAR-UHFFFAOYSA-N 1 0 300.421 4.429 20 30 DIEDRO C=CCCCCC[NH+]1CCC(N(C)Cc2cccc(F)c2)CC1 ZINC001209433273 1050058717 /nfs/dbraw/zinc/05/87/17/1050058717.db2.gz SYEGHVZWXBNNSC-UHFFFAOYSA-N 1 0 318.480 4.468 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@@H]2OCCC[C@]2(COC)C1 ZINC001209440466 1050059289 /nfs/dbraw/zinc/05/92/89/1050059289.db2.gz DBBMPTXDBIRSBX-RBUKOAKNSA-N 1 0 309.494 4.031 20 30 DIEDRO C=CCCCCCC[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001209440437 1050059300 /nfs/dbraw/zinc/05/93/00/1050059300.db2.gz KJBJEANXHPUBPD-LJQANCHMSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCC[C@]2(CCC(=O)N2)[C@H]1CC ZINC001209441760 1050059334 /nfs/dbraw/zinc/05/93/34/1050059334.db2.gz LRKIDQZLCWCCQC-MJGOQNOKSA-N 1 0 306.494 4.036 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001209440126 1050059699 /nfs/dbraw/zinc/05/96/99/1050059699.db2.gz BQQNTUGLQOSXTD-UHFFFAOYSA-N 1 0 323.868 4.110 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(N(CC)C(=O)CC)CC1 ZINC001209442890 1050059987 /nfs/dbraw/zinc/05/99/87/1050059987.db2.gz ZIENTDDPQTXUGC-UHFFFAOYSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCC[C@@]2(C[C@H](CCOC)CO2)C1 ZINC001209442511 1050059997 /nfs/dbraw/zinc/05/99/97/1050059997.db2.gz WGFZQDXMEVEZQT-VQTJNVASSA-N 1 0 323.521 4.421 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001209445429 1050060172 /nfs/dbraw/zinc/06/01/72/1050060172.db2.gz JZWKTCBCXXLWNU-UHFFFAOYSA-N 1 0 320.521 4.380 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC2(CCN(CC)C2=O)CC1 ZINC001209445541 1050060686 /nfs/dbraw/zinc/06/06/86/1050060686.db2.gz LELVYNSXUGATPZ-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000589937822 1050068493 /nfs/dbraw/zinc/06/84/93/1050068493.db2.gz YXIUYDNFNKCSOG-OAQYLSRUSA-N 1 0 302.421 4.214 20 30 DIEDRO CN(C)c1cccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000590122654 1050078180 /nfs/dbraw/zinc/07/81/80/1050078180.db2.gz JJILHOGCYXZWRG-HXUWFJFHSA-N 1 0 307.441 4.277 20 30 DIEDRO N#Cc1ccc2c(c1)CCN(Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001209721273 1050079048 /nfs/dbraw/zinc/07/90/48/1050079048.db2.gz ZWTYUCFZSLJHQG-UHFFFAOYSA-N 1 0 321.811 4.251 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000590244532 1050082865 /nfs/dbraw/zinc/08/28/65/1050082865.db2.gz AGMXKAFZVQDIFA-IFXJQAMLSA-N 1 0 322.408 4.147 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](c3ccc(F)cc3)C1)CC2 ZINC000590257200 1050083751 /nfs/dbraw/zinc/08/37/51/1050083751.db2.gz CJYGSTKMIRSGDV-QRFRQXIXSA-N 1 0 306.384 4.220 20 30 DIEDRO CN(C)c1ccccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001209778041 1050084067 /nfs/dbraw/zinc/08/40/67/1050084067.db2.gz PBOVGFDPJGSYPP-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000590258010 1050084161 /nfs/dbraw/zinc/08/41/61/1050084161.db2.gz ZOPLOEHEMHZWAP-CTNGQTDRSA-N 1 0 319.452 4.290 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ccc(Cl)nc2C#N)cc1 ZINC001209821071 1050088682 /nfs/dbraw/zinc/08/86/82/1050088682.db2.gz HKFBLTDDAGECLK-UHFFFAOYSA-N 1 0 314.820 4.192 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2cnc(C#N)c(Cl)c2)cc1 ZINC001209822139 1050089483 /nfs/dbraw/zinc/08/94/83/1050089483.db2.gz SQDNXSCYQHAZDI-UHFFFAOYSA-N 1 0 314.820 4.192 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000572952786 1050095571 /nfs/dbraw/zinc/09/55/71/1050095571.db2.gz JIVCLYLAYDAZHW-RHSMWYFYSA-N 1 0 301.409 4.336 20 30 DIEDRO COc1ccc(C[N@H+](Cc2cccc(C#N)c2)[C@H](C)C2CC2)cc1 ZINC000057602277 1050101610 /nfs/dbraw/zinc/10/16/10/1050101610.db2.gz HSEMGYWMVJWNGQ-MRXNPFEDSA-N 1 0 320.436 4.368 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCCC1(F)F ZINC000590778821 1050106422 /nfs/dbraw/zinc/10/64/22/1050106422.db2.gz AJJQLKSNQWOBRO-NVXWUHKLSA-N 1 0 304.384 4.351 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000591241423 1050131662 /nfs/dbraw/zinc/13/16/62/1050131662.db2.gz INZYRLRYKCFUQE-XOBRGWDASA-N 1 0 306.409 4.213 20 30 DIEDRO CC(C)(C)c1ccncc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591246491 1050132550 /nfs/dbraw/zinc/13/25/50/1050132550.db2.gz VMVMGTSHMZWRQW-FQEVSTJZSA-N 1 0 319.452 4.418 20 30 DIEDRO C#Cc1ccc(Nc2ccccc2OCC2CC[NH+](C)CC2)cc1 ZINC001210118632 1050139520 /nfs/dbraw/zinc/13/95/20/1050139520.db2.gz GZVFYRJKYIPTQB-UHFFFAOYSA-N 1 0 320.436 4.132 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1C[C@H]1c1cccs1 ZINC000591347910 1050141290 /nfs/dbraw/zinc/14/12/90/1050141290.db2.gz BHSOPSOPUYVXBH-BYCMXARLSA-N 1 0 300.402 4.041 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000591348839 1050141352 /nfs/dbraw/zinc/14/13/52/1050141352.db2.gz IPLOTMFWGIYBRN-QRWLVFNGSA-N 1 0 305.425 4.298 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000591348892 1050141860 /nfs/dbraw/zinc/14/18/60/1050141860.db2.gz WJNUCYCFGITWAF-VQTJNVASSA-N 1 0 324.374 4.491 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000591348893 1050141918 /nfs/dbraw/zinc/14/19/18/1050141918.db2.gz WJNUCYCFGITWAF-WOJBJXKFSA-N 1 0 324.374 4.491 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cscc1Cl ZINC000591357477 1050142035 /nfs/dbraw/zinc/14/20/35/1050142035.db2.gz DJXINSOOQYUAKC-MRXNPFEDSA-N 1 0 302.830 4.440 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1 ZINC000591376795 1050144026 /nfs/dbraw/zinc/14/40/26/1050144026.db2.gz CQRIVHPVDHZCNI-UHFFFAOYSA-N 1 0 312.457 4.021 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733778774 1050154412 /nfs/dbraw/zinc/15/44/12/1050154412.db2.gz HCRSAZZAXFIDAJ-OALUTQOASA-N 1 0 322.537 4.460 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000733800402 1050156813 /nfs/dbraw/zinc/15/68/13/1050156813.db2.gz PKOBIZCKWZXCNU-IDHHARJASA-N 1 0 324.424 4.374 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC(C)(C)C)ccc1OC ZINC000823848555 1050161321 /nfs/dbraw/zinc/16/13/21/1050161321.db2.gz XUMFYDBQKLIBIO-HOCLYGCPSA-N 1 0 318.461 4.290 20 30 DIEDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000823904949 1050162977 /nfs/dbraw/zinc/16/29/77/1050162977.db2.gz PHUPUCZLVSZLQN-WBMJQRKESA-N 1 0 314.479 4.128 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000348024305 1050167255 /nfs/dbraw/zinc/16/72/55/1050167255.db2.gz BJUYRPYBTAAFQK-CQSZACIVSA-N 1 0 316.470 4.362 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000760837238 1050168101 /nfs/dbraw/zinc/16/81/01/1050168101.db2.gz XDIBCXPLSMLTMP-CJNGLKHVSA-N 1 0 313.363 4.169 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171038341 1050176197 /nfs/dbraw/zinc/17/61/97/1050176197.db2.gz WCAYORASVAIUPM-SFHVURJKSA-N 1 0 322.839 4.127 20 30 DIEDRO C#C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1F ZINC000824371305 1050204600 /nfs/dbraw/zinc/20/46/00/1050204600.db2.gz YVYPKPHFONKXAY-PWZRNIHTSA-N 1 0 304.796 4.215 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2coc3ccccc23)cc1 ZINC000734004044 1050212323 /nfs/dbraw/zinc/21/23/23/1050212323.db2.gz JMIURGRQBLCMBA-UHFFFAOYSA-N 1 0 305.377 4.125 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2coc3ccccc23)cc1 ZINC000734004068 1050212711 /nfs/dbraw/zinc/21/27/11/1050212711.db2.gz KSWZHZQBLKKOLV-CQSZACIVSA-N 1 0 306.365 4.013 20 30 DIEDRO Cc1cc(C#N)ccc1Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001210376264 1050222458 /nfs/dbraw/zinc/22/24/58/1050222458.db2.gz RCDCNCDYPZNPJX-UHFFFAOYSA-N 1 0 321.424 4.085 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000591839115 1050224472 /nfs/dbraw/zinc/22/44/72/1050224472.db2.gz MKLRGOPGBXHZRH-MAUKXSAKSA-N 1 0 306.409 4.117 20 30 DIEDRO Cc1cc(C#N)cc(Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC001210390303 1050229457 /nfs/dbraw/zinc/22/94/57/1050229457.db2.gz PGXUFCFIFQJGSP-UHFFFAOYSA-N 1 0 321.424 4.083 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000824683224 1050232970 /nfs/dbraw/zinc/23/29/70/1050232970.db2.gz AIPXMIPCJJRSPU-AAEUAGOBSA-N 1 0 314.376 4.470 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)cc1 ZINC000771390944 1050247323 /nfs/dbraw/zinc/24/73/23/1050247323.db2.gz ZMLGYOQLHJCJAU-PMPSAXMXSA-N 1 0 323.864 4.284 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000771390941 1050248546 /nfs/dbraw/zinc/24/85/46/1050248546.db2.gz ZMLGYOQLHJCJAU-HRCADAONSA-N 1 0 323.864 4.284 20 30 DIEDRO Cc1cc(Cl)cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001210462091 1050256706 /nfs/dbraw/zinc/25/67/06/1050256706.db2.gz ARBKKGHVADRACJ-UHFFFAOYSA-N 1 0 317.845 4.313 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000824955782 1050260873 /nfs/dbraw/zinc/26/08/73/1050260873.db2.gz ZFDAAXOTAQMXKN-WDSOQIARSA-N 1 0 302.462 4.416 20 30 DIEDRO CCN(Cc1ccncc1C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000592061889 1050263210 /nfs/dbraw/zinc/26/32/10/1050263210.db2.gz UJQOPIPWWPZOQV-AWEZNQCLSA-N 1 0 305.381 4.283 20 30 DIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592068092 1050267720 /nfs/dbraw/zinc/26/77/20/1050267720.db2.gz AOIHXOBYQDYQLS-UXHICEINSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592071610 1050268641 /nfs/dbraw/zinc/26/86/41/1050268641.db2.gz LFBZODIPBXCSOY-KBPBESRZSA-N 1 0 313.832 4.231 20 30 DIEDRO Cc1ccc(C#N)cc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001210501216 1050269264 /nfs/dbraw/zinc/26/92/64/1050269264.db2.gz RXQYDNXLAWYFFO-UHFFFAOYSA-N 1 0 305.425 4.249 20 30 DIEDRO COc1ccccc1C1([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000592145150 1050270870 /nfs/dbraw/zinc/27/08/70/1050270870.db2.gz PJSNSXBBQGDTIV-UHFFFAOYSA-N 1 0 320.436 4.275 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000592135835 1050271497 /nfs/dbraw/zinc/27/14/97/1050271497.db2.gz ZMKJXYRJSBWFDM-UHFFFAOYSA-N 1 0 311.454 4.326 20 30 DIEDRO COc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cc1OCCCC#N ZINC000734511056 1050281405 /nfs/dbraw/zinc/28/14/05/1050281405.db2.gz VGSKAZUIOYRTMT-OAHLLOKOSA-N 1 0 318.461 4.150 20 30 DIEDRO N#Cc1cc(Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1O ZINC001210536384 1050285158 /nfs/dbraw/zinc/28/51/58/1050285158.db2.gz QBOZDYWHQUWDBI-UHFFFAOYSA-N 1 0 321.424 4.036 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3ccc(F)cc3C#N)cc2)CC1 ZINC001210554329 1050293153 /nfs/dbraw/zinc/29/31/53/1050293153.db2.gz HIVPEVFVSIPTSK-UHFFFAOYSA-N 1 0 309.388 4.250 20 30 DIEDRO CC(C)[N@H+](Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000771925122 1050294949 /nfs/dbraw/zinc/29/49/49/1050294949.db2.gz YAIDTGMIGFZJKF-UHFFFAOYSA-N 1 0 321.468 4.447 20 30 DIEDRO C[N@H+](CCc1cccs1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000573970844 1050299316 /nfs/dbraw/zinc/29/93/16/1050299316.db2.gz OEMFRZLPEUJGDF-UHFFFAOYSA-N 1 0 324.371 4.313 20 30 DIEDRO Cc1cc(O)c(C[NH2+][C@H](CCC#N)c2ccccc2)cc1Cl ZINC000825376026 1050300923 /nfs/dbraw/zinc/30/09/23/1050300923.db2.gz UUEYWSHPOZNXHD-QGZVFWFLSA-N 1 0 314.816 4.489 20 30 DIEDRO Cc1ccc(C(F)(F)F)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001143681214 1050336841 /nfs/dbraw/zinc/33/68/41/1050336841.db2.gz VWENSJYVLMXUEC-XMQYKBBCSA-N 1 0 308.347 4.280 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001143715346 1050338596 /nfs/dbraw/zinc/33/85/96/1050338596.db2.gz HQJSDYAVHSIPKB-LLVKDONJSA-N 1 0 301.739 4.204 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143697528 1050338981 /nfs/dbraw/zinc/33/89/81/1050338981.db2.gz QLBOCTNFUJIHCH-UHFFFAOYSA-N 1 0 319.449 4.217 20 30 DIEDRO N#Cc1ccc(Cl)cc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210710882 1050342678 /nfs/dbraw/zinc/34/26/78/1050342678.db2.gz DVORMKPACFPXLK-MRXNPFEDSA-N 1 0 301.821 4.156 20 30 DIEDRO N#Cc1c(Cl)cccc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210710999 1050343184 /nfs/dbraw/zinc/34/31/84/1050343184.db2.gz GEXBBXSHUAMXHA-AWEZNQCLSA-N 1 0 301.821 4.156 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000735086841 1050345104 /nfs/dbraw/zinc/34/51/04/1050345104.db2.gz STQXTJRZTFFTGV-AWEZNQCLSA-N 1 0 317.864 4.256 20 30 DIEDRO N#Cc1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC001210712814 1050345070 /nfs/dbraw/zinc/34/50/70/1050345070.db2.gz CAVQXRAEIKMNNK-MRXNPFEDSA-N 1 0 301.821 4.156 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000735087248 1050345559 /nfs/dbraw/zinc/34/55/59/1050345559.db2.gz YCECAOPNQKPUGX-LLVKDONJSA-N 1 0 307.800 4.027 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000735087257 1050346333 /nfs/dbraw/zinc/34/63/33/1050346333.db2.gz YCECAOPNQKPUGX-NSHDSACASA-N 1 0 307.800 4.027 20 30 DIEDRO CC(C)(C#N)c1ccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC001210714131 1050346825 /nfs/dbraw/zinc/34/68/25/1050346825.db2.gz KWSWKLXXFHQEJW-IBGZPJMESA-N 1 0 309.457 4.432 20 30 DIEDRO CC(C)([NH2+][C@@H]1CCc2cc(F)ccc2C1)c1ccc(C#N)cc1 ZINC001168402224 1050354991 /nfs/dbraw/zinc/35/49/91/1050354991.db2.gz FAPADJCDAVGWBH-LJQANCHMSA-N 1 0 308.400 4.080 20 30 DIEDRO C=CC[N@@H+](Cc1cc(=O)oc2cc(CC)c(Cl)cc12)C1CC1 ZINC000772384382 1050356381 /nfs/dbraw/zinc/35/63/81/1050356381.db2.gz ZLIWBWUCWLVVIN-UHFFFAOYSA-N 1 0 317.816 4.159 20 30 DIEDRO N#CCCOc1ccc(-c2cc(C[NH+]3CCCC3)ccc2F)cc1 ZINC000592985399 1050360045 /nfs/dbraw/zinc/36/00/45/1050360045.db2.gz HJIXAJFNZUPSPB-UHFFFAOYSA-N 1 0 324.399 4.381 20 30 DIEDRO Cc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306290 1050366016 /nfs/dbraw/zinc/36/60/16/1050366016.db2.gz LTFOMEKAMYUWST-UHFFFAOYSA-N 1 0 314.816 4.183 20 30 DIEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735305953 1050368226 /nfs/dbraw/zinc/36/82/26/1050368226.db2.gz FTMWITYVEWPJQY-BBRMVZONSA-N 1 0 306.837 4.253 20 30 DIEDRO Cc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)s1 ZINC000735308963 1050368886 /nfs/dbraw/zinc/36/88/86/1050368886.db2.gz ACRJAXUALGEPAU-UHFFFAOYSA-N 1 0 320.845 4.244 20 30 DIEDRO CC(C)CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735306774 1050369129 /nfs/dbraw/zinc/36/91/29/1050369129.db2.gz UKBFVPYRFOHALA-UHFFFAOYSA-N 1 0 306.837 4.253 20 30 DIEDRO Cc1cc(Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1C#N ZINC001210808548 1050372905 /nfs/dbraw/zinc/37/29/05/1050372905.db2.gz CQHVAIQXVWWJHR-UHFFFAOYSA-N 1 0 321.424 4.083 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cn2ccccc2n1 ZINC000574171901 1050378447 /nfs/dbraw/zinc/37/84/47/1050378447.db2.gz PIPSPSIPQHFJBV-AEFFLSMTSA-N 1 0 318.424 4.420 20 30 DIEDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2CCC(C)(C)C#N)cc1 ZINC000593080084 1050379003 /nfs/dbraw/zinc/37/90/03/1050379003.db2.gz DTDHBTYRHRWEDG-KRWDZBQOSA-N 1 0 300.446 4.032 20 30 DIEDRO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)CCCCC#N ZINC000593105089 1050380120 /nfs/dbraw/zinc/38/01/20/1050380120.db2.gz MNRYLKAJRJKLRT-HNNXBMFYSA-N 1 0 306.837 4.352 20 30 DIEDRO C=C(Cl)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000167721225 1050414747 /nfs/dbraw/zinc/41/47/47/1050414747.db2.gz NTSJGMMNNROKJW-UHFFFAOYSA-N 1 0 300.627 4.037 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439118 1050423007 /nfs/dbraw/zinc/42/30/07/1050423007.db2.gz NUBBKPBFEUFQRW-KRWDZBQOSA-N 1 0 304.384 4.109 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439121 1050424209 /nfs/dbraw/zinc/42/42/09/1050424209.db2.gz NUBBKPBFEUFQRW-QGZVFWFLSA-N 1 0 304.384 4.109 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)cc1 ZINC000593635435 1050429163 /nfs/dbraw/zinc/42/91/63/1050429163.db2.gz LJQIGTILOWOZTP-MRXNPFEDSA-N 1 0 314.791 4.322 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)c1 ZINC000766214437 1050430248 /nfs/dbraw/zinc/43/02/48/1050430248.db2.gz ORRRFIDLCWAART-YXJHDRRASA-N 1 0 300.446 4.282 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(Oc3ccccc3F)c2)C1 ZINC000593642356 1050430202 /nfs/dbraw/zinc/43/02/02/1050430202.db2.gz HBJWWWQJOGABSS-HOCLYGCPSA-N 1 0 310.372 4.400 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000593717207 1050436986 /nfs/dbraw/zinc/43/69/86/1050436986.db2.gz ZNFJJDZHKRECHW-CHWSQXEVSA-N 1 0 319.246 4.110 20 30 DIEDRO C#CCCC[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000785970096 1050437540 /nfs/dbraw/zinc/43/75/40/1050437540.db2.gz RRZMSJMXBUIFCA-UHFFFAOYSA-N 1 0 319.448 4.050 20 30 DIEDRO C=C(Cl)C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000735925374 1050438491 /nfs/dbraw/zinc/43/84/91/1050438491.db2.gz FPSFURKPUQCVDY-UHFFFAOYSA-N 1 0 305.780 4.247 20 30 DIEDRO C=C(Cl)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000735925408 1050438991 /nfs/dbraw/zinc/43/89/91/1050438991.db2.gz GZSWLZSNERZKRY-UHFFFAOYSA-N 1 0 308.790 4.165 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Br)cs1 ZINC000226392997 1050446083 /nfs/dbraw/zinc/44/60/83/1050446083.db2.gz UEDITOABRUURQX-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO COc1ccc(C(C)C)cc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000593971628 1050466261 /nfs/dbraw/zinc/46/62/61/1050466261.db2.gz LIVBSGPVDCHUME-UHFFFAOYSA-N 1 0 320.436 4.469 20 30 DIEDRO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000593973927 1050466507 /nfs/dbraw/zinc/46/65/07/1050466507.db2.gz XEOIBPITLZKRJF-SCLBCKFNSA-N 1 0 313.832 4.484 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000594009341 1050473808 /nfs/dbraw/zinc/47/38/08/1050473808.db2.gz CVOOGTCLJOMZSS-SJDLMVEWSA-N 1 0 307.235 4.134 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cc(=O)oc2cc(CC)c(Cl)cc12 ZINC000786445164 1050481413 /nfs/dbraw/zinc/48/14/13/1050481413.db2.gz NIIYCBHPAOJGDD-UHFFFAOYSA-N 1 0 305.805 4.017 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000736647150 1050484552 /nfs/dbraw/zinc/48/45/52/1050484552.db2.gz GOKLGZFGSAJOFR-JOCHJYFZSA-N 1 0 319.448 4.200 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2oc(-c3ccccc3)cc2C#N)cc1 ZINC001211128992 1050487297 /nfs/dbraw/zinc/48/72/97/1050487297.db2.gz NEGMKUDXVGKMCO-UHFFFAOYSA-N 1 0 303.365 4.281 20 30 DIEDRO CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144166740 1050488699 /nfs/dbraw/zinc/48/86/99/1050488699.db2.gz SVXASUHVZDPFPG-KRWDZBQOSA-N 1 0 309.438 4.012 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001211131009 1050489528 /nfs/dbraw/zinc/48/95/28/1050489528.db2.gz JGBJHBBSTQXRJN-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2c(Cl)cc(C#N)cc2Cl)cc1 ZINC001211130431 1050490465 /nfs/dbraw/zinc/49/04/65/1050490465.db2.gz PZJIEDFRYCKABD-UHFFFAOYSA-N 1 0 306.196 4.328 20 30 DIEDRO CC(C)(S)C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171147840 1050490725 /nfs/dbraw/zinc/49/07/25/1050490725.db2.gz LUUBTGUEJHCSSO-NSHDSACASA-N 1 0 304.286 4.149 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC001211137474 1050491874 /nfs/dbraw/zinc/49/18/74/1050491874.db2.gz YYJBIUUJSCBNBS-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO CC(=O)c1c(C)cc(C)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046527387 1050492019 /nfs/dbraw/zinc/49/20/19/1050492019.db2.gz IIXYTBWGFRJKSW-UHFFFAOYSA-N 1 0 320.436 4.318 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000594499253 1050518211 /nfs/dbraw/zinc/51/82/11/1050518211.db2.gz BQUKHHYCWAEFHU-GOSISDBHSA-N 1 0 324.399 4.240 20 30 DIEDRO CC(C)[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cccnc1 ZINC000594498750 1050519044 /nfs/dbraw/zinc/51/90/44/1050519044.db2.gz VKHUWPMOPALXQM-FQEVSTJZSA-N 1 0 321.468 4.412 20 30 DIEDRO COc1cc(C)cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594505569 1050520449 /nfs/dbraw/zinc/52/04/49/1050520449.db2.gz UUVCGIFMDWPEST-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000594504323 1050520480 /nfs/dbraw/zinc/52/04/80/1050520480.db2.gz NCNPLUNDQVGIAK-GOSISDBHSA-N 1 0 324.399 4.240 20 30 DIEDRO CCO[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594500997 1050520578 /nfs/dbraw/zinc/52/05/78/1050520578.db2.gz DEBLINMKAFYOMB-HXUWFJFHSA-N 1 0 322.452 4.355 20 30 DIEDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594500355 1050520712 /nfs/dbraw/zinc/52/07/12/1050520712.db2.gz PLESXIHJYIXNJR-MOPGFXCFSA-N 1 0 314.473 4.171 20 30 DIEDRO CCCCCCCC[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786833457 1050520725 /nfs/dbraw/zinc/52/07/25/1050520725.db2.gz IHPNHODYHCCPSA-MRXNPFEDSA-N 1 0 317.477 4.227 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000594501187 1050521669 /nfs/dbraw/zinc/52/16/69/1050521669.db2.gz WIJZGXSLOXPUIN-LJQANCHMSA-N 1 0 308.400 4.404 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](COC)c1ccc(Cl)cc1)c1ccccc1 ZINC000786873950 1050524497 /nfs/dbraw/zinc/52/44/97/1050524497.db2.gz YFIFMNVYFHSEOA-RBUKOAKNSA-N 1 0 313.828 4.382 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CSc3ccccc32)cc1 ZINC000594515448 1050526448 /nfs/dbraw/zinc/52/64/48/1050526448.db2.gz VKFZEGPOGMGNMM-QGZVFWFLSA-N 1 0 308.450 4.424 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CCC2)cc1 ZINC000594519094 1050527763 /nfs/dbraw/zinc/52/77/63/1050527763.db2.gz TYYSZKDOXSOGHC-CMKODMSKSA-N 1 0 324.468 4.122 20 30 DIEDRO Cn1c[nH+]cc1Nc1scc(-c2ccc(Cl)cc2)c1C#N ZINC001211247188 1050528252 /nfs/dbraw/zinc/52/82/52/1050528252.db2.gz MSMMARUTZOWAKW-UHFFFAOYSA-N 1 0 314.801 4.417 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)ccc1F ZINC000594519086 1050528451 /nfs/dbraw/zinc/52/84/51/1050528451.db2.gz SUTYQKABNSRGIK-CQSZACIVSA-N 1 0 324.399 4.436 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(Cl)cn1 ZINC000594519606 1050528874 /nfs/dbraw/zinc/52/88/74/1050528874.db2.gz WYPNILQSNVFHEJ-ZDUSSCGKSA-N 1 0 311.816 4.337 20 30 DIEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594519297 1050531777 /nfs/dbraw/zinc/53/17/77/1050531777.db2.gz JNDDJPMANDXERU-KDOFPFPSSA-N 1 0 306.409 4.444 20 30 DIEDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000787028321 1050540711 /nfs/dbraw/zinc/54/07/11/1050540711.db2.gz DOSOVOOZYPXOHL-BTYIYWSLSA-N 1 0 319.452 4.352 20 30 DIEDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000787028329 1050541351 /nfs/dbraw/zinc/54/13/51/1050541351.db2.gz DOSOVOOZYPXOHL-VFNWGFHPSA-N 1 0 319.452 4.352 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CC(c3ccccc3F)C2)cc1 ZINC000594610427 1050541559 /nfs/dbraw/zinc/54/15/59/1050541559.db2.gz SBILMUOCNQMNCV-UHFFFAOYSA-N 1 0 308.400 4.226 20 30 DIEDRO CCc1cccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001144318894 1050542090 /nfs/dbraw/zinc/54/20/90/1050542090.db2.gz NYJLGEFMLLDZGQ-UHFFFAOYSA-N 1 0 304.437 4.306 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1ccc(C#N)cc1F)c1ccccc1 ZINC000059259989 1050547549 /nfs/dbraw/zinc/54/75/49/1050547549.db2.gz FWVCXFBQJPCOMU-IBGZPJMESA-N 1 0 311.404 4.192 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000594713489 1050550188 /nfs/dbraw/zinc/55/01/88/1050550188.db2.gz ZJKJTWGEPSHLLJ-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000594700415 1050551051 /nfs/dbraw/zinc/55/10/51/1050551051.db2.gz GRADCDNDFGHYFC-MRXNPFEDSA-N 1 0 300.402 4.260 20 30 DIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(F)cc(CC#N)c3)c2c1 ZINC001171168223 1050552068 /nfs/dbraw/zinc/55/20/68/1050552068.db2.gz QALVOHRNRKUNQS-AWEZNQCLSA-N 1 0 321.399 4.034 20 30 DIEDRO CCN(CC)c1ccc(C[N@H+](C)CCCC(C)(C)C#N)cc1 ZINC000746655095 1050562871 /nfs/dbraw/zinc/56/28/71/1050562871.db2.gz SSDBVITUOLLBGH-UHFFFAOYSA-N 1 0 301.478 4.295 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001171174795 1050563810 /nfs/dbraw/zinc/56/38/10/1050563810.db2.gz CLACNMRKVAEXSQ-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000594917247 1050564098 /nfs/dbraw/zinc/56/40/98/1050564098.db2.gz IFDWHGQRRYXCCR-CQSZACIVSA-N 1 0 324.399 4.240 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccn1 ZINC000594923227 1050564304 /nfs/dbraw/zinc/56/43/04/1050564304.db2.gz XULVLRPUUCYPAB-GOSISDBHSA-N 1 0 305.425 4.268 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccs1 ZINC000594925839 1050564826 /nfs/dbraw/zinc/56/48/26/1050564826.db2.gz QEGWJCODIYOZHH-UHFFFAOYSA-N 1 0 310.466 4.371 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594925561 1050565009 /nfs/dbraw/zinc/56/50/09/1050565009.db2.gz NYYMTSCNFWVOAX-UHFFFAOYSA-N 1 0 320.436 4.320 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000594927839 1050565551 /nfs/dbraw/zinc/56/55/51/1050565551.db2.gz WWQXPIINYJYJAR-SFHVURJKSA-N 1 0 302.421 4.061 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cc(Cl)ccc2C)no1 ZINC001211436662 1050566096 /nfs/dbraw/zinc/56/60/96/1050566096.db2.gz SBLGICIVEBAMND-UHFFFAOYSA-N 1 0 317.820 4.198 20 30 DIEDRO Cc1c(CC[NH3+])c2ccccc2n1[C@H](C)Cc1cccc(C#N)c1 ZINC001171177910 1050566994 /nfs/dbraw/zinc/56/69/94/1050566994.db2.gz BQAUZPIOQCXHJM-OAHLLOKOSA-N 1 0 317.436 4.126 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cc(F)ccc2Cl)no1 ZINC001211436510 1050567338 /nfs/dbraw/zinc/56/73/38/1050567338.db2.gz OUMHITUNWUEBKT-UHFFFAOYSA-N 1 0 321.783 4.028 20 30 DIEDRO Cc1cc(C)cc(OC[C@@H](C)[NH2+][C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171179526 1050569425 /nfs/dbraw/zinc/56/94/25/1050569425.db2.gz SVVNJJBTPPFBKS-QZTJIDSGSA-N 1 0 322.452 4.163 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171179964 1050571924 /nfs/dbraw/zinc/57/19/24/1050571924.db2.gz ZXPSCPAJBBHQNM-MRXNPFEDSA-N 1 0 308.425 4.066 20 30 DIEDRO CC[C@@](C)([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000594979269 1050572792 /nfs/dbraw/zinc/57/27/92/1050572792.db2.gz HPBLEGFPOWYSTM-LJQANCHMSA-N 1 0 316.445 4.046 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000594932101 1050572839 /nfs/dbraw/zinc/57/28/39/1050572839.db2.gz WCRYTURYJDEVBY-LJQANCHMSA-N 1 0 324.468 4.213 20 30 DIEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000594970242 1050572983 /nfs/dbraw/zinc/57/29/83/1050572983.db2.gz WAOFWKDIPXIQHO-OAHLLOKOSA-N 1 0 318.461 4.292 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000594967813 1050573467 /nfs/dbraw/zinc/57/34/67/1050573467.db2.gz HSZDCBDTWQGUGM-UHFFFAOYSA-N 1 0 308.425 4.370 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC001171178619 1050574168 /nfs/dbraw/zinc/57/41/68/1050574168.db2.gz ICAANVKOTLTWKC-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(OC2CC2)c1F ZINC000594939524 1050574957 /nfs/dbraw/zinc/57/49/57/1050574957.db2.gz RTIJRXLSJAELSL-GOSISDBHSA-N 1 0 322.383 4.016 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000594938536 1050576099 /nfs/dbraw/zinc/57/60/99/1050576099.db2.gz MHEMZJAHDCSKLX-NRFANRHFSA-N 1 0 320.436 4.433 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594932750 1050576146 /nfs/dbraw/zinc/57/61/46/1050576146.db2.gz SWCLNZTYWJDECH-LJQANCHMSA-N 1 0 318.420 4.027 20 30 DIEDRO CS[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000594943820 1050577484 /nfs/dbraw/zinc/57/74/84/1050577484.db2.gz QOYRENVOBMMOKQ-INIZCTEOSA-N 1 0 302.487 4.109 20 30 DIEDRO CS[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000594943821 1050577785 /nfs/dbraw/zinc/57/77/85/1050577785.db2.gz QOYRENVOBMMOKQ-MRXNPFEDSA-N 1 0 302.487 4.109 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1F ZINC000594942967 1050578325 /nfs/dbraw/zinc/57/83/25/1050578325.db2.gz FFPOGDZXXOSFTC-UHFFFAOYSA-N 1 0 308.400 4.406 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171181981 1050578400 /nfs/dbraw/zinc/57/84/00/1050578400.db2.gz RTDLMDQXAFWDCI-INIZCTEOSA-N 1 0 308.425 4.068 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594940229 1050578642 /nfs/dbraw/zinc/57/86/42/1050578642.db2.gz XMNOXMMRCCILAP-CYBMUJFWSA-N 1 0 310.363 4.452 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CSc4ccccc43)cc2)CC1 ZINC000594945978 1050579219 /nfs/dbraw/zinc/57/92/19/1050579219.db2.gz YGMVHUFTJXFCAI-MRXNPFEDSA-N 1 0 320.461 4.221 20 30 DIEDRO Cc1[nH]c2ccc(Nc3ccc(Cl)c(F)c3C#N)cc2[nH+]1 ZINC001213076277 1050580873 /nfs/dbraw/zinc/58/08/73/1050580873.db2.gz OONXIXXNJMVELI-UHFFFAOYSA-N 1 0 300.724 4.279 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@]34C[C@H]3CCC4)c2)c1 ZINC000594953558 1050580928 /nfs/dbraw/zinc/58/09/28/1050580928.db2.gz UWSAQXFRZRUDBD-TZIWHRDSSA-N 1 0 318.420 4.169 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(F)c(F)c1F ZINC000594952430 1050581453 /nfs/dbraw/zinc/58/14/53/1050581453.db2.gz ZCLRSJHZFMTYCI-INIZCTEOSA-N 1 0 316.326 4.143 20 30 DIEDRO [NH2+]=C(Nc1ccc(OC2CC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171182928 1050581754 /nfs/dbraw/zinc/58/17/54/1050581754.db2.gz WTINGCUMTCQJMN-UHFFFAOYSA-N 1 0 318.376 4.124 20 30 DIEDRO COc1ccc(C(C)(C)[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171185077 1050581945 /nfs/dbraw/zinc/58/19/45/1050581945.db2.gz OJACIHYDMCGACU-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000594966319 1050582730 /nfs/dbraw/zinc/58/27/30/1050582730.db2.gz GFMSRPZIDBHMSO-UHFFFAOYSA-N 1 0 322.474 4.348 20 30 DIEDRO CC(C)(C)c1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cn1 ZINC001171182370 1050582873 /nfs/dbraw/zinc/58/28/73/1050582873.db2.gz KXNXZJNPDJWHOY-UHFFFAOYSA-N 1 0 319.408 4.275 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc2ccccc2c1 ZINC001171184190 1050583676 /nfs/dbraw/zinc/58/36/76/1050583676.db2.gz LILXJEJXFWFQSE-KRWDZBQOSA-N 1 0 314.432 4.475 20 30 DIEDRO CCOc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c(C)c1 ZINC000594967639 1050583801 /nfs/dbraw/zinc/58/38/01/1050583801.db2.gz GFDICHYRORKMBH-UHFFFAOYSA-N 1 0 308.425 4.290 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1O ZINC000787331557 1050587217 /nfs/dbraw/zinc/58/72/17/1050587217.db2.gz KWAXPARGRPIETR-KRWDZBQOSA-N 1 0 312.800 4.003 20 30 DIEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C#N)CCCCC1 ZINC000594982146 1050588903 /nfs/dbraw/zinc/58/89/03/1050588903.db2.gz ZVTHXRHNORJWBJ-GDNBJRDFSA-N 1 0 313.401 4.062 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1coc2ccccc12 ZINC001171189370 1050589421 /nfs/dbraw/zinc/58/94/21/1050589421.db2.gz DVKYHYMBSYLFOH-OAHLLOKOSA-N 1 0 304.393 4.068 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCCc3c(C)cccc32)ccc1C#N ZINC000594999822 1050590786 /nfs/dbraw/zinc/59/07/86/1050590786.db2.gz FLWFGXSEIXCDIG-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)F)nc1)c1ccc(C#N)cc1 ZINC000595008060 1050593055 /nfs/dbraw/zinc/59/30/55/1050593055.db2.gz PBHWPPOHYJKKRT-VXGBXAGGSA-N 1 0 301.340 4.303 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000595056800 1050593889 /nfs/dbraw/zinc/59/38/89/1050593889.db2.gz WPAWVVHRISFFCI-VQTJNVASSA-N 1 0 319.452 4.120 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171190949 1050594114 /nfs/dbraw/zinc/59/41/14/1050594114.db2.gz ZJOWKVLEQDNCMA-GJZGRUSLSA-N 1 0 312.844 4.363 20 30 DIEDRO CC(C)C[C@@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)c1ccccn1 ZINC001171191729 1050594588 /nfs/dbraw/zinc/59/45/88/1050594588.db2.gz DQHFBTQBTNZPFH-OXQOHEQNSA-N 1 0 307.441 4.261 20 30 DIEDRO C=CCCSCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000595060557 1050595446 /nfs/dbraw/zinc/59/54/46/1050595446.db2.gz VNKXAEIJPQQWDA-IRXDYDNUSA-N 1 0 304.503 4.315 20 30 DIEDRO C=CCCC1(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)CCCC1 ZINC000595067173 1050596269 /nfs/dbraw/zinc/59/62/69/1050596269.db2.gz KHHWMUYVZINAEH-CYBMUJFWSA-N 1 0 322.474 4.107 20 30 DIEDRO C=CCCCCC[N@@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000739930152 1050596860 /nfs/dbraw/zinc/59/68/60/1050596860.db2.gz JALDALRBXWQYHI-MRXNPFEDSA-N 1 0 315.379 4.417 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171192947 1050597027 /nfs/dbraw/zinc/59/70/27/1050597027.db2.gz RAEUAAGQUDUOHD-JLTOFOAXSA-N 1 0 324.855 4.290 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000746681370 1050598843 /nfs/dbraw/zinc/59/88/43/1050598843.db2.gz YLOPPDIJCBNVOI-FOIQADDNSA-N 1 0 324.399 4.311 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595043075 1050600439 /nfs/dbraw/zinc/60/04/39/1050600439.db2.gz FWJQIRVVQUDDKZ-ACJLOTCBSA-N 1 0 317.392 4.428 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc2ccccc2cc1O ZINC001171193697 1050600531 /nfs/dbraw/zinc/60/05/31/1050600531.db2.gz YHTUXKPOIDHCGB-HNNXBMFYSA-N 1 0 316.404 4.138 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCC#N ZINC000595034829 1050600726 /nfs/dbraw/zinc/60/07/26/1050600726.db2.gz YHOBBCXHEPDMAZ-JTQLQIEISA-N 1 0 304.743 4.183 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595045559 1050600850 /nfs/dbraw/zinc/60/08/50/1050600850.db2.gz NTGVLBGOICBSBS-SJKOYZFVSA-N 1 0 303.365 4.038 20 30 DIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccn1 ZINC000595047185 1050601234 /nfs/dbraw/zinc/60/12/34/1050601234.db2.gz BQYOQCBNCSVBRI-FQVISZRSSA-N 1 0 319.452 4.179 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC001171195315 1050601662 /nfs/dbraw/zinc/60/16/62/1050601662.db2.gz RHNDAASSDORKAR-OAHLLOKOSA-N 1 0 308.400 4.297 20 30 DIEDRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595045885 1050601840 /nfs/dbraw/zinc/60/18/40/1050601840.db2.gz UVGWLGXDMMHLGL-NUEKZKHPSA-N 1 0 310.363 4.308 20 30 DIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccn1 ZINC000595047187 1050601955 /nfs/dbraw/zinc/60/19/55/1050601955.db2.gz BQYOQCBNCSVBRI-OCDPCBSRSA-N 1 0 319.452 4.179 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC001171195314 1050602419 /nfs/dbraw/zinc/60/24/19/1050602419.db2.gz RHNDAASSDORKAR-HNNXBMFYSA-N 1 0 308.400 4.297 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001171194020 1050604756 /nfs/dbraw/zinc/60/47/56/1050604756.db2.gz FJSFUNVVCASLKI-VLIAUNLRSA-N 1 0 308.400 4.296 20 30 DIEDRO CC(C)(C)c1cc(Nc2cnc(C#N)c(C(F)(F)F)c2)cc[nH+]1 ZINC001213163928 1050605074 /nfs/dbraw/zinc/60/50/74/1050605074.db2.gz CWNULTPGRIKTPY-UHFFFAOYSA-N 1 0 320.318 4.408 20 30 DIEDRO C[C@H](O)[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595103953 1050607331 /nfs/dbraw/zinc/60/73/31/1050607331.db2.gz PKUKXRHPJNWSFD-ONGXBYRLSA-N 1 0 320.436 4.037 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090490 1050609805 /nfs/dbraw/zinc/60/98/05/1050609805.db2.gz GFWZSBMFOZVNMU-ZWKOTPCHSA-N 1 0 311.473 4.480 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090487 1050609881 /nfs/dbraw/zinc/60/98/81/1050609881.db2.gz GFWZSBMFOZVNMU-MSOLQXFVSA-N 1 0 311.473 4.480 20 30 DIEDRO C[C@H]([NH2+]CCc1cn(C)c2ccccc12)c1ccc(C#N)c(F)c1 ZINC000595077884 1050610413 /nfs/dbraw/zinc/61/04/13/1050610413.db2.gz QWYUEAGSQAOKFH-AWEZNQCLSA-N 1 0 321.399 4.082 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001171198180 1050610748 /nfs/dbraw/zinc/61/07/48/1050610748.db2.gz IIAWQZTZQHIGNO-INIZCTEOSA-N 1 0 322.427 4.383 20 30 DIEDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092127 1050611110 /nfs/dbraw/zinc/61/11/10/1050611110.db2.gz XIZDEOVKYDXCFK-MRXNPFEDSA-N 1 0 322.493 4.198 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ccc(C#N)cc31)[C@H](C)C2 ZINC000595092425 1050611637 /nfs/dbraw/zinc/61/16/37/1050611637.db2.gz VPQZRSFRFNCAPO-IFZYUDKTSA-N 1 0 302.421 4.377 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000595092246 1050611717 /nfs/dbraw/zinc/61/17/17/1050611717.db2.gz WJRSWNSVRBSMCK-GXSJLCMTSA-N 1 0 316.289 4.322 20 30 DIEDRO N#CC1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCCCC1 ZINC000595091372 1050611955 /nfs/dbraw/zinc/61/19/55/1050611955.db2.gz PWNPEIMOAWOLKP-MJGOQNOKSA-N 1 0 312.457 4.218 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000595092152 1050611992 /nfs/dbraw/zinc/61/19/92/1050611992.db2.gz XVZSVPMSTUPGNU-HNNXBMFYSA-N 1 0 316.445 4.137 20 30 DIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000595090996 1050612067 /nfs/dbraw/zinc/61/20/67/1050612067.db2.gz LSMUXPBUWAJAMG-INIZCTEOSA-N 1 0 322.456 4.305 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000595092249 1050612085 /nfs/dbraw/zinc/61/20/85/1050612085.db2.gz WJRSWNSVRBSMCK-ONGXEEELSA-N 1 0 316.289 4.322 20 30 DIEDRO CC[C@H]([NH2+]CCc1nsc2ccccc21)c1ccc(C#N)cc1 ZINC000595096131 1050612849 /nfs/dbraw/zinc/61/28/49/1050612849.db2.gz WHJZKOACNVQQPI-KRWDZBQOSA-N 1 0 321.449 4.451 20 30 DIEDRO C=CC[C@@H]([NH2+]C1CCC(C)(C(=O)OC)CC1)c1ccccc1 ZINC001168771950 1050617052 /nfs/dbraw/zinc/61/70/52/1050617052.db2.gz AWDFEGAQSJMZFK-TVRKMHQQSA-N 1 0 301.430 4.015 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](Sc3ccccc3OC)C2)cc1 ZINC001144578502 1050618491 /nfs/dbraw/zinc/61/84/91/1050618491.db2.gz DTXDGOQNSXZJCY-GOSISDBHSA-N 1 0 323.461 4.043 20 30 DIEDRO CC[N@H+](Cc1cnc2ccccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295414 1050618667 /nfs/dbraw/zinc/61/86/67/1050618667.db2.gz LXXCTBYLXFHMQL-HNNXBMFYSA-N 1 0 316.408 4.085 20 30 DIEDRO C#Cc1ccc(C[N@H+](CCCCCCO)Cc2ccccc2)cc1 ZINC001144579123 1050619145 /nfs/dbraw/zinc/61/91/45/1050619145.db2.gz ZTGLRAJUMQYABP-UHFFFAOYSA-N 1 0 321.464 4.223 20 30 DIEDRO CCC1([NH2+][C@H](C)Cc2cccc(C#N)c2)CCC(F)(F)CC1 ZINC001171197959 1050619813 /nfs/dbraw/zinc/61/98/13/1050619813.db2.gz FVGVFLNOGMMMNY-CQSZACIVSA-N 1 0 306.400 4.437 20 30 DIEDRO Cc1cccc(C2([NH2+][C@H](C)Cc3cccc(C#N)c3)CCC2)c1 ZINC001171199389 1050619938 /nfs/dbraw/zinc/61/99/38/1050619938.db2.gz ZJCRNHUBSSFSRZ-QGZVFWFLSA-N 1 0 304.437 4.467 20 30 DIEDRO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000595332386 1050620880 /nfs/dbraw/zinc/62/08/80/1050620880.db2.gz CVSKEWYIZRVPJG-HYVNUMGLSA-N 1 0 306.400 4.440 20 30 DIEDRO C#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000787770172 1050622170 /nfs/dbraw/zinc/62/21/70/1050622170.db2.gz NWUAUHPHGUNCMF-UHFFFAOYSA-N 1 0 317.388 4.169 20 30 DIEDRO CC[C@H](CC(F)F)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000595409395 1050630647 /nfs/dbraw/zinc/63/06/47/1050630647.db2.gz WSCMMPOLJRSNQI-CQSZACIVSA-N 1 0 304.384 4.329 20 30 DIEDRO COc1cccc(SCC[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000595415342 1050631048 /nfs/dbraw/zinc/63/10/48/1050631048.db2.gz OWAVLLUCDRHBGA-CQSZACIVSA-N 1 0 312.438 4.010 20 30 DIEDRO CCCCCCCC[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000740875508 1050635058 /nfs/dbraw/zinc/63/50/58/1050635058.db2.gz DXZIFMLFLGEADU-QGZVFWFLSA-N 1 0 310.526 4.220 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000845926518 1050635604 /nfs/dbraw/zinc/63/56/04/1050635604.db2.gz RLUZJUSAOWPBBC-BFYDXBDKSA-N 1 0 314.429 4.039 20 30 DIEDRO CCCCCCCC[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000740874926 1050636261 /nfs/dbraw/zinc/63/62/61/1050636261.db2.gz RSGISCWVRLXKRP-SFHVURJKSA-N 1 0 322.537 4.317 20 30 DIEDRO CCCCCCCC[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000740874925 1050637311 /nfs/dbraw/zinc/63/73/11/1050637311.db2.gz RSGISCWVRLXKRP-GOSISDBHSA-N 1 0 322.537 4.317 20 30 DIEDRO CC(C)C[N@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000740878339 1050637604 /nfs/dbraw/zinc/63/76/04/1050637604.db2.gz ADCHYSGDDAERPW-UHFFFAOYSA-N 1 0 323.440 4.040 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000845927019 1050637735 /nfs/dbraw/zinc/63/77/35/1050637735.db2.gz WEXDBVHZIJIRSV-ZMSDIMECSA-N 1 0 314.429 4.039 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001171204017 1050639199 /nfs/dbraw/zinc/63/91/99/1050639199.db2.gz RFZGIEZRRNVMFD-UPRAQXHNSA-N 1 0 310.828 4.288 20 30 DIEDRO C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615420 1050658404 /nfs/dbraw/zinc/65/84/04/1050658404.db2.gz QWKQOPVKKSUOEP-CHWSQXEVSA-N 1 0 307.235 4.136 20 30 DIEDRO C[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000595622768 1050651424 /nfs/dbraw/zinc/65/14/24/1050651424.db2.gz CNPDAWORSGXIQK-ZIAGYGMSSA-N 1 0 310.363 4.435 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc([C@H](C)SCC)no1 ZINC000595602391 1050654734 /nfs/dbraw/zinc/65/47/34/1050654734.db2.gz ISCLOSFRAXFYCI-BFHYXJOUSA-N 1 0 309.479 4.108 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc([C@@H](C)SCC)no1 ZINC000595602397 1050655970 /nfs/dbraw/zinc/65/59/70/1050655970.db2.gz ISCLOSFRAXFYCI-MGPQQGTHSA-N 1 0 309.479 4.108 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000595614363 1050657088 /nfs/dbraw/zinc/65/70/88/1050657088.db2.gz LEXFBFDAJYFMOC-HNNXBMFYSA-N 1 0 310.363 4.264 20 30 DIEDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613861 1050657923 /nfs/dbraw/zinc/65/79/23/1050657923.db2.gz IOTULOHZCMCNJL-QWHCGFSZSA-N 1 0 312.335 4.272 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccccc1F)C(C)C ZINC000595692641 1050660516 /nfs/dbraw/zinc/66/05/16/1050660516.db2.gz PNEHPGQRQSUMCK-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2ccccc2)CC1 ZINC001171210336 1050663327 /nfs/dbraw/zinc/66/33/27/1050663327.db2.gz SNHCPKVDUKEUDD-QGZVFWFLSA-N 1 0 304.437 4.369 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)c1 ZINC001144717036 1050667756 /nfs/dbraw/zinc/66/77/56/1050667756.db2.gz XAXGOGQZTJOTLQ-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)cc1 ZINC001144718752 1050668156 /nfs/dbraw/zinc/66/81/56/1050668156.db2.gz ZXEJTCUBVMMYHN-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)s1 ZINC000595879544 1050673295 /nfs/dbraw/zinc/67/32/95/1050673295.db2.gz SPYKVKCRJPDDBS-UHFFFAOYSA-N 1 0 322.433 4.060 20 30 DIEDRO COc1cccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1O ZINC000846156977 1050674796 /nfs/dbraw/zinc/67/47/96/1050674796.db2.gz QODOQJVQOBEJRS-WMLDXEAASA-N 1 0 310.397 4.096 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000596118237 1050687989 /nfs/dbraw/zinc/68/79/89/1050687989.db2.gz UCUGFFATLVRKHC-MRXNPFEDSA-N 1 0 319.330 4.213 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000846188145 1050690888 /nfs/dbraw/zinc/69/08/88/1050690888.db2.gz HBKHJMWVLIROOO-UIAACRFSSA-N 1 0 306.409 4.104 20 30 DIEDRO N#CC1(COc2ccc(C[NH+]3CCCC3)c(Cl)c2)CCC1 ZINC000596301675 1050699218 /nfs/dbraw/zinc/69/92/18/1050699218.db2.gz MSBKDLNWBPQUJT-UHFFFAOYSA-N 1 0 304.821 4.008 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)CCc1ccccc1Cl ZINC001171222491 1050712116 /nfs/dbraw/zinc/71/21/16/1050712116.db2.gz HLYSKODMZOAHEO-OAHLLOKOSA-N 1 0 312.844 4.317 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001171222991 1050714295 /nfs/dbraw/zinc/71/42/95/1050714295.db2.gz KZMFINGMGMBBSD-HNAYVOBHSA-N 1 0 308.400 4.118 20 30 DIEDRO C[NH2+]Cc1cn([C@@H](C)Cc2cccc(C#N)c2)c2ccc(C)cc12 ZINC001171222997 1050714763 /nfs/dbraw/zinc/71/47/63/1050714763.db2.gz LBIYIWMTRLADHW-INIZCTEOSA-N 1 0 317.436 4.345 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001171221688 1050714902 /nfs/dbraw/zinc/71/49/02/1050714902.db2.gz SEXLSTWCGRQZNR-MGPUTAFESA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001171223343 1050717778 /nfs/dbraw/zinc/71/77/78/1050717778.db2.gz MZIHIKDHVRCTNW-JXFKEZNVSA-N 1 0 322.477 4.279 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001171228949 1050723519 /nfs/dbraw/zinc/72/35/19/1050723519.db2.gz JYCGTAXFLGUKBE-MRXNPFEDSA-N 1 0 304.437 4.283 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001171228243 1050723664 /nfs/dbraw/zinc/72/36/64/1050723664.db2.gz FHVAQKDBWGFDRR-VNCLNFNDSA-N 1 0 300.421 4.093 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001171229376 1050724310 /nfs/dbraw/zinc/72/43/10/1050724310.db2.gz MXOHNTSNUKNLSI-ZYSHUDEJSA-N 1 0 302.421 4.076 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001171229335 1050725258 /nfs/dbraw/zinc/72/52/58/1050725258.db2.gz MBAJAMVXZAUQSC-INIZCTEOSA-N 1 0 320.436 4.074 20 30 DIEDRO C[NH2+]CCc1cn([C@H](C)Cc2cccc(C#N)c2)c2ccccc12 ZINC001171230673 1050725271 /nfs/dbraw/zinc/72/52/71/1050725271.db2.gz XGQDKVKNFYVGMY-MRXNPFEDSA-N 1 0 317.436 4.079 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000788694010 1050727864 /nfs/dbraw/zinc/72/78/64/1050727864.db2.gz TWTJQTPJQBZYLT-QWRGUYRKSA-N 1 0 315.230 4.379 20 30 DIEDRO CC[C@H](/[NH+]=C/c1ccc(N(CC)CC)cc1O)c1nccs1 ZINC000737444405 1050730636 /nfs/dbraw/zinc/73/06/36/1050730636.db2.gz QSUQVUISOLQDSG-UZUMKDMXSA-N 1 0 317.458 4.265 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(F)c(F)c1 ZINC000788755284 1050738910 /nfs/dbraw/zinc/73/89/10/1050738910.db2.gz RLGARMOCOUWNID-DIFFPNOSSA-N 1 0 304.340 4.033 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1cc(Cl)cc(OC)c1O ZINC000761182470 1050742671 /nfs/dbraw/zinc/74/26/71/1050742671.db2.gz FOHTVRPDOQQZRT-UHFFFAOYSA-N 1 0 323.845 4.304 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1c1ccccc1 ZINC000741807989 1050745508 /nfs/dbraw/zinc/74/55/08/1050745508.db2.gz OZKKVQIEAXQXQL-UWJYYQICSA-N 1 0 320.436 4.215 20 30 DIEDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000741802161 1050748123 /nfs/dbraw/zinc/74/81/23/1050748123.db2.gz SGYCHSMTXPAIDR-LJQANCHMSA-N 1 0 308.425 4.042 20 30 DIEDRO CC[N@H+](Cc1cnc(Cl)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000846780241 1050750923 /nfs/dbraw/zinc/75/09/23/1050750923.db2.gz QBCAIUZNJHIOJM-LBPRGKRZSA-N 1 0 317.795 4.329 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000772953319 1050754076 /nfs/dbraw/zinc/75/40/76/1050754076.db2.gz UEJISYXZCFIAKD-GFCCVEGCSA-N 1 0 315.244 4.266 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1Cl ZINC000788819544 1050758181 /nfs/dbraw/zinc/75/81/81/1050758181.db2.gz TUNANWBAHXQSLI-CQSZACIVSA-N 1 0 318.207 4.037 20 30 DIEDRO C#CC[N@@H+](CCSc1ccc(F)cc1F)Cc1ccccc1 ZINC001170094125 1050769704 /nfs/dbraw/zinc/76/97/04/1050769704.db2.gz GEHHKBGNYTWNKY-UHFFFAOYSA-N 1 0 317.404 4.192 20 30 DIEDRO Cc1ccc(C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C(C)C)cc1 ZINC000772957718 1050774209 /nfs/dbraw/zinc/77/42/09/1050774209.db2.gz BJJYXMJIDRHQCX-OAQYLSRUSA-N 1 0 322.452 4.254 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000788986838 1050774414 /nfs/dbraw/zinc/77/44/14/1050774414.db2.gz ZJYMRJXBGOGYMX-AWEZNQCLSA-N 1 0 307.384 4.002 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000788980967 1050779503 /nfs/dbraw/zinc/77/95/03/1050779503.db2.gz BYUMLKOGPQITFI-SJCJKPOMSA-N 1 0 311.816 4.335 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000788980968 1050780683 /nfs/dbraw/zinc/78/06/83/1050780683.db2.gz BYUMLKOGPQITFI-SJKOYZFVSA-N 1 0 311.816 4.335 20 30 DIEDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000772958450 1050791324 /nfs/dbraw/zinc/79/13/24/1050791324.db2.gz GYKHIOROEGTMNM-YWZLYKJASA-N 1 0 306.409 4.236 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000597010182 1050794100 /nfs/dbraw/zinc/79/41/00/1050794100.db2.gz VLRSXHBOGVVJNK-FQEVSTJZSA-N 1 0 317.436 4.282 20 30 DIEDRO N#CC1(c2ccc(CN(CC(F)F)CC3CCC3)cc2)CC1 ZINC000597027586 1050795993 /nfs/dbraw/zinc/79/59/93/1050795993.db2.gz QWHJMFJDBOUGKZ-UHFFFAOYSA-N 1 0 304.384 4.109 20 30 DIEDRO CC[C@H](CC#N)NCc1cc2cc(Cl)ccc2nc1Cl ZINC000846979775 1050796410 /nfs/dbraw/zinc/79/64/10/1050796410.db2.gz CQKPUABZKMQMGO-CYBMUJFWSA-N 1 0 308.212 4.323 20 30 DIEDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597027033 1050797974 /nfs/dbraw/zinc/79/79/74/1050797974.db2.gz LCYSRGZWBIEHQB-MSOLQXFVSA-N 1 0 314.498 4.348 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000742119001 1050801476 /nfs/dbraw/zinc/80/14/76/1050801476.db2.gz DWSULUBJQUFUHK-LJQANCHMSA-N 1 0 322.537 4.462 20 30 DIEDRO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc(Cl)n1 ZINC000847059893 1050803783 /nfs/dbraw/zinc/80/37/83/1050803783.db2.gz QHHKHDDNKLAXQH-UHFFFAOYSA-N 1 0 311.816 4.084 20 30 DIEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772959846 1050808119 /nfs/dbraw/zinc/80/81/19/1050808119.db2.gz OPDYUIMFAOLDPG-IEBWSBKVSA-N 1 0 300.446 4.283 20 30 DIEDRO N#CC1(c2ccc(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000597116745 1050809235 /nfs/dbraw/zinc/80/92/35/1050809235.db2.gz IUVURJATOKSXSS-AWEZNQCLSA-N 1 0 308.347 4.016 20 30 DIEDRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(C#N)CC1 ZINC000597120744 1050809749 /nfs/dbraw/zinc/80/97/49/1050809749.db2.gz JDNWNVOPTFVSRP-SNVBAGLBSA-N 1 0 316.754 4.183 20 30 DIEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CCC(F)(F)CC1 ZINC000597133778 1050810463 /nfs/dbraw/zinc/81/04/63/1050810463.db2.gz YECCHFADKKIDLU-UHFFFAOYSA-N 1 0 304.384 4.251 20 30 DIEDRO C#CC[C@@H]([NH2+]CC[C@@H](C)OCc1ccccc1)c1ccccc1 ZINC000789361274 1050820231 /nfs/dbraw/zinc/82/02/31/1050820231.db2.gz GFZUCXFPTXMJPY-WIYYLYMNSA-N 1 0 307.437 4.336 20 30 DIEDRO CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000742369898 1050820477 /nfs/dbraw/zinc/82/04/77/1050820477.db2.gz ZTJQLKGGJCEHMT-LJQANCHMSA-N 1 0 308.425 4.068 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]CCCCC2(C#N)CCC2)C12CCCC2 ZINC001170104406 1050820988 /nfs/dbraw/zinc/82/09/88/1050820988.db2.gz HJUGVORXCXJJSR-SJORKVTESA-N 1 0 304.478 4.178 20 30 DIEDRO CCCCCCCC[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000742366352 1050822707 /nfs/dbraw/zinc/82/27/07/1050822707.db2.gz YDZLQWPXBVWXFS-UHFFFAOYSA-N 1 0 300.450 4.026 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2)c(OC(F)F)cc1C ZINC000742367233 1050823027 /nfs/dbraw/zinc/82/30/27/1050823027.db2.gz LQNHYWFWUYRTSV-UHFFFAOYSA-N 1 0 316.351 4.066 20 30 DIEDRO Cc1ccc(C)c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171277593 1050823255 /nfs/dbraw/zinc/82/32/55/1050823255.db2.gz UQFPYGBSGOLVAZ-UHFFFAOYSA-N 1 0 319.452 4.274 20 30 DIEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000597210674 1050824829 /nfs/dbraw/zinc/82/48/29/1050824829.db2.gz HLXKHQLSSMKHLK-XLIONFOSSA-N 1 0 324.468 4.146 20 30 DIEDRO C#CCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000742385087 1050827343 /nfs/dbraw/zinc/82/73/43/1050827343.db2.gz IQURURKVGQBVJZ-UHFFFAOYSA-N 1 0 313.828 4.422 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1C#N ZINC000742371769 1050832501 /nfs/dbraw/zinc/83/25/01/1050832501.db2.gz BYSORMZKJPMUFI-ICSRJNTNSA-N 1 0 320.436 4.068 20 30 DIEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000789450232 1050833848 /nfs/dbraw/zinc/83/38/48/1050833848.db2.gz LCAWYMNWFUHTCF-HZSPNIEDSA-N 1 0 306.837 4.109 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)cc1C#N ZINC000742378979 1050837919 /nfs/dbraw/zinc/83/79/19/1050837919.db2.gz QEOUJYMBTUSHDC-AWEZNQCLSA-N 1 0 312.388 4.174 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)CC2CCC2)ccc1OC ZINC000772979756 1050856436 /nfs/dbraw/zinc/85/64/36/1050856436.db2.gz MBXZUZRWWOVNQP-YOEHRIQHSA-N 1 0 316.445 4.044 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000669617910 1050876319 /nfs/dbraw/zinc/87/63/19/1050876319.db2.gz XRZYFXJBWPLETJ-HOCLYGCPSA-N 1 0 313.363 4.134 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001171307356 1050884256 /nfs/dbraw/zinc/88/42/56/1050884256.db2.gz MUNIURCZNLXECR-OAHLLOKOSA-N 1 0 308.263 4.422 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000772982684 1050884289 /nfs/dbraw/zinc/88/42/89/1050884289.db2.gz FEVHODBEAUXTPW-JHDROBOHSA-N 1 0 300.446 4.282 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2C)cc1 ZINC000772982603 1050894791 /nfs/dbraw/zinc/89/47/91/1050894791.db2.gz XQZCAMGXPXPCKC-VWKPWSFCSA-N 1 0 305.421 4.283 20 30 DIEDRO CCCCCCCC[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl ZINC000742673675 1050914245 /nfs/dbraw/zinc/91/42/45/1050914245.db2.gz GTPDRVQHYASSNP-UHFFFAOYSA-N 1 0 322.884 4.380 20 30 DIEDRO CCCC[N@H+](CCC#N)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171319444 1050918256 /nfs/dbraw/zinc/91/82/56/1050918256.db2.gz DXBCENGDDGTRQQ-CQSZACIVSA-N 1 0 320.864 4.222 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2c3ccccc3C[C@H]2C)c1 ZINC000772985969 1050918332 /nfs/dbraw/zinc/91/83/32/1050918332.db2.gz VTFVXZREEQMWEF-FQELHTAISA-N 1 0 320.436 4.391 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](CC)Cc2ccccc2)c1 ZINC000772985070 1050919196 /nfs/dbraw/zinc/91/91/96/1050919196.db2.gz QCEPYDPMSKNJDL-WOJBJXKFSA-N 1 0 322.452 4.478 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000772988307 1050925934 /nfs/dbraw/zinc/92/59/34/1050925934.db2.gz ODVUNOASEKLSRH-SFHVURJKSA-N 1 0 311.812 4.129 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000772989636 1050928476 /nfs/dbraw/zinc/92/84/76/1050928476.db2.gz XQDHGJNEWZHHNJ-GOSISDBHSA-N 1 0 311.812 4.129 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000348172519 1051000954 /nfs/dbraw/zinc/00/09/54/1051000954.db2.gz XUXPEWKVUNIMAZ-HNNXBMFYSA-N 1 0 301.352 4.171 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCCSC1 ZINC000348206112 1051005101 /nfs/dbraw/zinc/00/51/01/1051005101.db2.gz KVPPZOIUBCEAAU-YJBOKZPZSA-N 1 0 300.471 4.059 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000773019638 1051025345 /nfs/dbraw/zinc/02/53/45/1051025345.db2.gz ZIWCFJPJSRKPGL-MISXGVKJSA-N 1 0 302.245 4.217 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc2c(c1)CCCO2 ZINC000773030550 1051029986 /nfs/dbraw/zinc/02/99/86/1051029986.db2.gz SOVMPWLARNCSGJ-IBGZPJMESA-N 1 0 324.399 4.263 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1cn2cc[nH+]c2cc1C ZINC001171373233 1051030258 /nfs/dbraw/zinc/03/02/58/1051030258.db2.gz FOJQLFJZMJPMAN-HNNXBMFYSA-N 1 0 307.397 4.381 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000773030187 1051030295 /nfs/dbraw/zinc/03/02/95/1051030295.db2.gz MQBBWGNXUSVZCA-IEBWSBKVSA-N 1 0 312.363 4.262 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2c(s1)CCCC2 ZINC000773030335 1051030950 /nfs/dbraw/zinc/03/09/50/1051030950.db2.gz OHYRECMEKZHMKN-LBPRGKRZSA-N 1 0 314.429 4.488 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000773040799 1051035101 /nfs/dbraw/zinc/03/51/01/1051035101.db2.gz OASVLMJEVFVMFS-AWEZNQCLSA-N 1 0 315.848 4.288 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1cccc(C#N)c1 ZINC000743497406 1051036862 /nfs/dbraw/zinc/03/68/62/1051036862.db2.gz YLQALSPLYZDTFK-CQSZACIVSA-N 1 0 306.409 4.123 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(CCO)CCC2)cc1 ZINC000773071385 1051049835 /nfs/dbraw/zinc/04/98/35/1051049835.db2.gz ULVGZQBGTWDZNV-HNNXBMFYSA-N 1 0 323.864 4.021 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000773081381 1051057370 /nfs/dbraw/zinc/05/73/70/1051057370.db2.gz QTSXRXQFIINBAN-RTBURBONSA-N 1 0 315.457 4.012 20 30 DIEDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)s1 ZINC000773085355 1051058270 /nfs/dbraw/zinc/05/82/70/1051058270.db2.gz WROFDCBZNKEZHX-LBPRGKRZSA-N 1 0 300.427 4.042 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000773105665 1051062232 /nfs/dbraw/zinc/06/22/32/1051062232.db2.gz IKMPZJNHPKRJQU-QAPCUYQASA-N 1 0 308.381 4.318 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000773115165 1051065194 /nfs/dbraw/zinc/06/51/94/1051065194.db2.gz MOBGTRBWHGOWNQ-NYVOZVTQSA-N 1 0 318.464 4.176 20 30 DIEDRO Cc1ccc([C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)c(C)c1 ZINC000791606908 1051069095 /nfs/dbraw/zinc/06/90/95/1051069095.db2.gz WFZHUPGLYPUVMQ-IBGZPJMESA-N 1 0 320.436 4.195 20 30 DIEDRO C=CC[N@@H+](Cc1cncc(Br)c1)C1CCCCC1 ZINC001206138612 1051121730 /nfs/dbraw/zinc/12/17/30/1051121730.db2.gz ATQNFNTZWUVRFL-UHFFFAOYSA-N 1 0 309.251 4.165 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000792174628 1051124490 /nfs/dbraw/zinc/12/44/90/1051124490.db2.gz ZWVDZWYNLZKXQO-SFHVURJKSA-N 1 0 300.446 4.428 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000792240952 1051128983 /nfs/dbraw/zinc/12/89/83/1051128983.db2.gz QSBJMLZTRLTICK-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001171490587 1051144442 /nfs/dbraw/zinc/14/44/42/1051144442.db2.gz QLUMHHKAOFQCBO-FQEVSTJZSA-N 1 0 308.400 4.295 20 30 DIEDRO CCSc1ccccc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001170205981 1051150232 /nfs/dbraw/zinc/15/02/32/1051150232.db2.gz POEUFZXEAPEUNW-UHFFFAOYSA-N 1 0 308.450 4.449 20 30 DIEDRO N#CCC[N@H+](C1CCCC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171540930 1051154239 /nfs/dbraw/zinc/15/42/39/1051154239.db2.gz DUAVZYIVCWXZRS-AWEZNQCLSA-N 1 0 322.374 4.119 20 30 DIEDRO Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]CCCCCCS)CC2 ZINC001171522783 1051159434 /nfs/dbraw/zinc/15/94/34/1051159434.db2.gz DIKFGXCYOAVWEL-LBPRGKRZSA-N 1 0 317.420 4.041 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001170256314 1051164312 /nfs/dbraw/zinc/16/43/12/1051164312.db2.gz KYFCJOPYQXLVKA-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO COc1ccccc1CCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC001171567286 1051170568 /nfs/dbraw/zinc/17/05/68/1051170568.db2.gz HYCORZQKEXXCAH-UHFFFAOYSA-N 1 0 320.436 4.168 20 30 DIEDRO C[NH+]1C(C)(C)CC(N(CCC#N)Cc2ccccc2)CC1(C)C ZINC001171629193 1051172950 /nfs/dbraw/zinc/17/29/50/1051172950.db2.gz PESRIRFQJGABRI-UHFFFAOYSA-N 1 0 313.489 4.054 20 30 DIEDRO C#C[C@@H](C)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171645563 1051181874 /nfs/dbraw/zinc/18/18/74/1051181874.db2.gz RCJPQBVSAKLPIR-XEBKBJJBSA-N 1 0 306.247 4.087 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccncc1 ZINC001170355670 1051188067 /nfs/dbraw/zinc/18/80/67/1051188067.db2.gz OMYXOZDZSBNFDK-DZIBYMRMSA-N 1 0 305.425 4.136 20 30 DIEDRO Cc1ccnc([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170359423 1051188736 /nfs/dbraw/zinc/18/87/36/1051188736.db2.gz WZQVWJPEZLAILD-OCDPCBSRSA-N 1 0 319.452 4.445 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]COc2ccccc2)CC1 ZINC001170365388 1051192811 /nfs/dbraw/zinc/19/28/11/1051192811.db2.gz XYHHXMXPYNOERY-UHFFFAOYSA-N 1 0 306.409 4.017 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(O)cc2F)CC1 ZINC001170364625 1051193605 /nfs/dbraw/zinc/19/36/05/1051193605.db2.gz BGRFNOYYKJHGPY-UHFFFAOYSA-N 1 0 324.399 4.025 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@H](F)CC2)CC1 ZINC001170379173 1051199840 /nfs/dbraw/zinc/19/98/40/1051199840.db2.gz RYVJODVXHQNJPL-LMDPOFIKSA-N 1 0 300.421 4.215 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171782835 1051217467 /nfs/dbraw/zinc/21/74/67/1051217467.db2.gz GHICZRZNNTVAQW-ZBFHGGJFSA-N 1 0 311.400 4.209 20 30 DIEDRO N#Cc1cccc(C2CC[NH+]([C@@H]3Cc4cccc(F)c4C3)CC2)c1 ZINC001171805854 1051226202 /nfs/dbraw/zinc/22/62/02/1051226202.db2.gz SIJPJBXFNHITLF-LJQANCHMSA-N 1 0 320.411 4.044 20 30 DIEDRO CCCCCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171871926 1051227149 /nfs/dbraw/zinc/22/71/49/1051227149.db2.gz SQQQKCJHJNHIGT-IBGZPJMESA-N 1 0 316.489 4.241 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000792927485 1051230345 /nfs/dbraw/zinc/23/03/45/1051230345.db2.gz RJFOJGOKXWEXLL-ZTFGCOKTSA-N 1 0 320.864 4.275 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)nn1 ZINC001171921044 1051235741 /nfs/dbraw/zinc/23/57/41/1051235741.db2.gz QSUOHZSJMKJPAJ-VQIMIIECSA-N 1 0 323.440 4.493 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001171915125 1051238892 /nfs/dbraw/zinc/23/88/92/1051238892.db2.gz BEHFRDCCBXEUMG-UHFFFAOYSA-N 1 0 313.401 4.013 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001171971858 1051260600 /nfs/dbraw/zinc/26/06/00/1051260600.db2.gz APOJZACIVFSZEY-UKRRQHHQSA-N 1 0 310.363 4.262 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001171973632 1051265836 /nfs/dbraw/zinc/26/58/36/1051265836.db2.gz LVGBQFAORDBXIO-UKRRQHHQSA-N 1 0 310.363 4.262 20 30 DIEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172055754 1051272284 /nfs/dbraw/zinc/27/22/84/1051272284.db2.gz CQMWECBGGPNWKF-MRXNPFEDSA-N 1 0 322.493 4.207 20 30 DIEDRO CC[NH+](CC)Cc1cccc(NCC#Cc2ccccc2)c1F ZINC001170429138 1051277232 /nfs/dbraw/zinc/27/72/32/1051277232.db2.gz IHFBNQQBPXPNLW-UHFFFAOYSA-N 1 0 310.416 4.131 20 30 DIEDRO N#Cc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2F)cc1 ZINC001215678210 1051295201 /nfs/dbraw/zinc/29/52/01/1051295201.db2.gz YJGIWVHUIUPRQV-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO CC(C)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000745946807 1051295945 /nfs/dbraw/zinc/29/59/45/1051295945.db2.gz KMLZZWXCNMTZKK-AWEZNQCLSA-N 1 0 306.837 4.110 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(-n2ccnc2C)nc1 ZINC000793519302 1051305245 /nfs/dbraw/zinc/30/52/45/1051305245.db2.gz BYSDSPFVFDHSRF-INIZCTEOSA-N 1 0 312.461 4.190 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000793529073 1051308960 /nfs/dbraw/zinc/30/89/60/1051308960.db2.gz ZIZPETJJYLJWOE-QGZVFWFLSA-N 1 0 301.478 4.165 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000793525408 1051310300 /nfs/dbraw/zinc/31/03/00/1051310300.db2.gz VORZMBAENWHAFM-INIZCTEOSA-N 1 0 316.445 4.258 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)c1ccncc1 ZINC000793538839 1051313266 /nfs/dbraw/zinc/31/32/66/1051313266.db2.gz CVODYUYAJXCMNI-NMSZZDKCSA-N 1 0 322.452 4.489 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000793543629 1051315406 /nfs/dbraw/zinc/31/54/06/1051315406.db2.gz VWCHUYJEPISMGR-KGLIPLIRSA-N 1 0 301.434 4.444 20 30 DIEDRO Cc1coc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)c1C#N ZINC001215711101 1051317165 /nfs/dbraw/zinc/31/71/65/1051317165.db2.gz BAFTYFLMGLPCQU-UHFFFAOYSA-N 1 0 313.376 4.328 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000793555732 1051318750 /nfs/dbraw/zinc/31/87/50/1051318750.db2.gz CBPBKSXNWHQWSQ-WMZOPIPTSA-N 1 0 303.494 4.436 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000793559106 1051319599 /nfs/dbraw/zinc/31/95/99/1051319599.db2.gz BLPJPUQRTYHISB-QRVBRYPASA-N 1 0 320.521 4.282 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000793566916 1051320420 /nfs/dbraw/zinc/32/04/20/1051320420.db2.gz NOPZEUWZHYDNGC-OAHLLOKOSA-N 1 0 307.507 4.227 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000793529848 1051321040 /nfs/dbraw/zinc/32/10/40/1051321040.db2.gz XTOVNNKKEGRHDB-CVEARBPZSA-N 1 0 314.473 4.381 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2ccc(CC#N)cc2)c1 ZINC001215725765 1051325351 /nfs/dbraw/zinc/32/53/51/1051325351.db2.gz KSZJVGGSSUPPCB-UHFFFAOYSA-N 1 0 311.404 4.477 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2cc(F)ccc2C#N)c1 ZINC001215726547 1051326087 /nfs/dbraw/zinc/32/60/87/1051326087.db2.gz IWYMHYDQZUXBDY-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2occ(C)c2C#N)c1 ZINC001215726051 1051326389 /nfs/dbraw/zinc/32/63/89/1051326389.db2.gz YYZNYYRQPQYUJR-UHFFFAOYSA-N 1 0 301.365 4.184 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCCCCCCCCO ZINC001172301484 1051331814 /nfs/dbraw/zinc/33/18/14/1051331814.db2.gz PMHUHDCVQAECQS-GOSISDBHSA-N 1 0 316.489 4.192 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1cccc2cccnc21 ZINC001172307285 1051333515 /nfs/dbraw/zinc/33/35/15/1051333515.db2.gz NNNGXPNKXNRDJY-INIZCTEOSA-N 1 0 315.420 4.169 20 30 DIEDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172303746 1051333544 /nfs/dbraw/zinc/33/35/44/1051333544.db2.gz DNROKEQSJBBDLE-HOTGVXAUSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001172303783 1051334133 /nfs/dbraw/zinc/33/41/33/1051334133.db2.gz FARIVHRUTQHUIR-TYCQWZJGSA-N 1 0 304.437 4.415 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001172307296 1051335055 /nfs/dbraw/zinc/33/50/55/1051335055.db2.gz NQQLIXYUADAVPS-UTKZUKDTSA-N 1 0 320.436 4.033 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001172309224 1051335362 /nfs/dbraw/zinc/33/53/62/1051335362.db2.gz SHHZXIOJDGSMBK-ZNZDAUKMSA-N 1 0 310.828 4.288 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001172307941 1051335452 /nfs/dbraw/zinc/33/54/52/1051335452.db2.gz RFEJLRGRKQEVJX-YJBOKZPZSA-N 1 0 308.400 4.118 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001172311145 1051335771 /nfs/dbraw/zinc/33/57/71/1051335771.db2.gz QAFISAGNQCCRPM-CRAIPNDOSA-N 1 0 300.421 4.093 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2nc(Cl)ccc2C#N)cc1 ZINC001215744046 1051336537 /nfs/dbraw/zinc/33/65/37/1051336537.db2.gz NGEQDYOGRVWLFW-UHFFFAOYSA-N 1 0 314.820 4.096 20 30 DIEDRO C[NH2+]CCc1cn([C@H](C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC001172311716 1051337746 /nfs/dbraw/zinc/33/77/46/1051337746.db2.gz WLHRUMCSLONXLW-MRXNPFEDSA-N 1 0 317.436 4.079 20 30 DIEDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311987 1051337970 /nfs/dbraw/zinc/33/79/70/1051337970.db2.gz DEOCEOMTOLLHGD-KRWDZBQOSA-N 1 0 321.468 4.077 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172319522 1051339260 /nfs/dbraw/zinc/33/92/60/1051339260.db2.gz NUEFQXBQGCMXLQ-HOTGVXAUSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001172318790 1051340677 /nfs/dbraw/zinc/34/06/77/1051340677.db2.gz IUHWWACXZODTSQ-BEFAXECRSA-N 1 0 308.400 4.118 20 30 DIEDRO CNc1ccc(C#N)cc1Nc1ccc(C[NH2+]CC(C)C)cc1 ZINC001215745966 1051340880 /nfs/dbraw/zinc/34/08/80/1051340880.db2.gz BITVJLJRGRIFQR-UHFFFAOYSA-N 1 0 308.429 4.089 20 30 DIEDRO COc1cccc(C#N)c1Nc1ccc(C[NH2+]CC(C)C)cc1 ZINC001215745557 1051341286 /nfs/dbraw/zinc/34/12/86/1051341286.db2.gz UWAAYIWHBDASQV-UHFFFAOYSA-N 1 0 309.413 4.056 20 30 DIEDRO Cc1cc(C)cc(OC[C@H](C)[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172290897 1051347430 /nfs/dbraw/zinc/34/74/30/1051347430.db2.gz UGMSZBKNKUJWKH-MSOLQXFVSA-N 1 0 322.452 4.163 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1C(F)F ZINC001172289500 1051347445 /nfs/dbraw/zinc/34/74/45/1051347445.db2.gz DFKSAHNHRPOUEA-ZDUSSCGKSA-N 1 0 300.352 4.217 20 30 DIEDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H](C)Cc1ccc(C#N)cc1 ZINC001172291318 1051347470 /nfs/dbraw/zinc/34/74/70/1051347470.db2.gz XJGUCLATFXTDIP-MRXNPFEDSA-N 1 0 317.436 4.126 20 30 DIEDRO Cc1cc(C)cc(OC[C@H](C)[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172290899 1051348112 /nfs/dbraw/zinc/34/81/12/1051348112.db2.gz UGMSZBKNKUJWKH-ROUUACIJSA-N 1 0 322.452 4.163 20 30 DIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172293171 1051348859 /nfs/dbraw/zinc/34/88/59/1051348859.db2.gz BTFTXIBVQRFNEZ-MSOLQXFVSA-N 1 0 322.452 4.163 20 30 DIEDRO Cc1cc2cc(C[NH3+])ccc2n1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172292818 1051348974 /nfs/dbraw/zinc/34/89/74/1051348974.db2.gz RBKBZSPRPPXCCN-CQSZACIVSA-N 1 0 303.409 4.084 20 30 DIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172293176 1051349378 /nfs/dbraw/zinc/34/93/78/1051349378.db2.gz BTFTXIBVQRFNEZ-ROUUACIJSA-N 1 0 322.452 4.163 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccc(F)cc2F)CC1 ZINC001172296260 1051349608 /nfs/dbraw/zinc/34/96/08/1051349608.db2.gz GWHQBEBQQMEZAU-ZDUSSCGKSA-N 1 0 312.363 4.046 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)c1ccccc1OC ZINC001172296643 1051350063 /nfs/dbraw/zinc/35/00/63/1051350063.db2.gz IXDAVKGJAJGTHS-BEFAXECRSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001172296109 1051350100 /nfs/dbraw/zinc/35/01/00/1051350100.db2.gz WQWAPHPWMMEGBB-STQMWFEESA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2sccc21 ZINC001172296948 1051350220 /nfs/dbraw/zinc/35/02/20/1051350220.db2.gz LLADWOUFYWMVNW-CQSZACIVSA-N 1 0 306.434 4.494 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172299276 1051350970 /nfs/dbraw/zinc/35/09/70/1051350970.db2.gz JBSBXROHSWIZAL-HZPDHXFCSA-N 1 0 308.425 4.239 20 30 DIEDRO CC(C)C[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1ccccn1 ZINC001172297588 1051351074 /nfs/dbraw/zinc/35/10/74/1051351074.db2.gz QCSZEGKEAKICIP-OXJNMPFZSA-N 1 0 307.441 4.261 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccccc1F)C1CC1 ZINC001172298484 1051351090 /nfs/dbraw/zinc/35/10/90/1051351090.db2.gz XGTZUSFABICFER-JLTOFOAXSA-N 1 0 308.400 4.369 20 30 DIEDRO COc1cccc(C2([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CCC2)c1 ZINC001172297141 1051351215 /nfs/dbraw/zinc/35/12/15/1051351215.db2.gz BFUXNFTUTLAOOO-INIZCTEOSA-N 1 0 320.436 4.167 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001172297016 1051351326 /nfs/dbraw/zinc/35/13/26/1051351326.db2.gz MJIPKYXRAMSBOZ-VLIAUNLRSA-N 1 0 324.855 4.290 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC001172298649 1051351405 /nfs/dbraw/zinc/35/14/05/1051351405.db2.gz ZTRFTYKSSHQTKR-MGPUTAFESA-N 1 0 303.409 4.102 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1nc(C(=O)OC)cs1 ZINC001172345795 1051364099 /nfs/dbraw/zinc/36/40/99/1051364099.db2.gz COVMISCPIJIEMJ-CYBMUJFWSA-N 1 0 312.479 4.158 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001172346269 1051365053 /nfs/dbraw/zinc/36/50/53/1051365053.db2.gz HVQIYANQOCSUHP-ZWKOTPCHSA-N 1 0 307.478 4.024 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001172344842 1051365283 /nfs/dbraw/zinc/36/52/83/1051365283.db2.gz VEFHUPPVFFVVDL-ULQDDVLXSA-N 1 0 305.462 4.496 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(Cc2ccccn2)C1 ZINC001172349701 1051365821 /nfs/dbraw/zinc/36/58/21/1051365821.db2.gz FKYGHPZYJSNCEK-AZUAARDMSA-N 1 0 317.521 4.385 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCC2(CCC(=O)N2)CC1 ZINC001172349493 1051366343 /nfs/dbraw/zinc/36/63/43/1051366343.db2.gz DGXUDWOCFDZLSR-MUYFXNHWSA-N 1 0 308.510 4.307 20 30 DIEDRO CC[C@H](C)OCC[C@H](C)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001172348292 1051366779 /nfs/dbraw/zinc/36/67/79/1051366779.db2.gz PKUOERAACHHUOT-IRXDYDNUSA-N 1 0 314.473 4.331 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC001172347554 1051366824 /nfs/dbraw/zinc/36/68/24/1051366824.db2.gz WYYOYMTWVLADPW-INIZCTEOSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H]1CCN(Cc2ccncc2)C1 ZINC001172351833 1051367631 /nfs/dbraw/zinc/36/76/31/1051367631.db2.gz WBLLTVKCBKLCNP-PMACEKPBSA-N 1 0 317.521 4.385 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1c2ccccc2CNC1=O ZINC001172350810 1051367915 /nfs/dbraw/zinc/36/79/15/1051367915.db2.gz PWXIFNRUMAQJKH-SJLPKXTDSA-N 1 0 302.462 4.086 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccc2c(c1)C(=O)NC2 ZINC001172352120 1051368384 /nfs/dbraw/zinc/36/83/84/1051368384.db2.gz YWUOXJRWRDWVSS-KRWDZBQOSA-N 1 0 302.462 4.159 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1nnc2c(C)cccn12 ZINC001172351026 1051368404 /nfs/dbraw/zinc/36/84/04/1051368404.db2.gz CAJIEBXPWDSDPN-MRXNPFEDSA-N 1 0 302.466 4.266 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H]1CCN(Cc2cccnc2)C1 ZINC001172351864 1051368796 /nfs/dbraw/zinc/36/87/96/1051368796.db2.gz XEMPNINGTNJSPF-UXHICEINSA-N 1 0 317.521 4.385 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001172353990 1051369435 /nfs/dbraw/zinc/36/94/35/1051369435.db2.gz CYEZSJIDMWSEPW-KRWDZBQOSA-N 1 0 310.526 4.349 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001172354783 1051370091 /nfs/dbraw/zinc/37/00/91/1051370091.db2.gz KRLYCSYVZZKRKB-GOSISDBHSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCN(CC(F)(F)F)CC1 ZINC001172355412 1051370351 /nfs/dbraw/zinc/37/03/51/1051370351.db2.gz ODGFQSUJRCFISI-OAHLLOKOSA-N 1 0 308.432 4.305 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(N2CCCC2=O)CC1 ZINC001172361963 1051374675 /nfs/dbraw/zinc/37/46/75/1051374675.db2.gz QAKWCHVZBZZGGL-KRWDZBQOSA-N 1 0 308.510 4.212 20 30 DIEDRO CCO[C@H](CC/[NH+]=C/c1ccc(N(CC)CC)cc1O)C(C)C ZINC000746393362 1051395929 /nfs/dbraw/zinc/39/59/29/1051395929.db2.gz KCMDZIHILPAUNK-YFQSIASUSA-N 1 0 320.477 4.109 20 30 DIEDRO CC[C@@H](CC(C)C)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001172399845 1051398507 /nfs/dbraw/zinc/39/85/07/1051398507.db2.gz DWNZRLGCHIKANR-KRWDZBQOSA-N 1 0 300.446 4.226 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cnn(-c2ccccc2)c1 ZINC000766350914 1051398437 /nfs/dbraw/zinc/39/84/37/1051398437.db2.gz PERNRGHVDNGZMP-HZPDHXFCSA-N 1 0 316.408 4.156 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](CC)CC(C)C)[C@H]2CC ZINC001172399406 1051398868 /nfs/dbraw/zinc/39/88/68/1051398868.db2.gz GZEHBPKKTULLSI-HBFSDRIKSA-N 1 0 320.521 4.233 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC001172475846 1051401822 /nfs/dbraw/zinc/40/18/22/1051401822.db2.gz CYGJHSWOAZRRTE-BLLLJJGKSA-N 1 0 321.262 4.498 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC001172477980 1051402056 /nfs/dbraw/zinc/40/20/56/1051402056.db2.gz AOQLONHWKNPBMI-MAUKXSAKSA-N 1 0 319.880 4.149 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc2cc(Cl)ccc2nc1Cl ZINC001170450738 1051402369 /nfs/dbraw/zinc/40/23/69/1051402369.db2.gz GMTZTMGJFMEIHR-INIZCTEOSA-N 1 0 307.224 4.433 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1cc(-c2cccc(Cl)c2)no1 ZINC001172486158 1051404717 /nfs/dbraw/zinc/40/47/17/1051404717.db2.gz ZUOWHFPPULPJHC-LBPRGKRZSA-N 1 0 303.793 4.167 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]CCCc1ccccc1Br ZINC001172486684 1051406086 /nfs/dbraw/zinc/40/60/86/1051406086.db2.gz CSDXLLQDQNDAMC-ZDUSSCGKSA-N 1 0 309.251 4.054 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001172486929 1051406143 /nfs/dbraw/zinc/40/61/43/1051406143.db2.gz FFTNIKIWVFNRHF-VXGBXAGGSA-N 1 0 300.324 4.318 20 30 DIEDRO C[C@H](CCCC#N)n1cc(C[NH3+])c2cc(Br)ccc21 ZINC001172488711 1051416557 /nfs/dbraw/zinc/41/65/57/1051416557.db2.gz OCZPIZQZHSCSPI-LLVKDONJSA-N 1 0 320.234 4.117 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)CCCC#N ZINC001172488817 1051416563 /nfs/dbraw/zinc/41/65/63/1051416563.db2.gz OMAFRQSQLQCRJG-QWHCGFSZSA-N 1 0 309.251 4.052 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](C)Cc1ccccc1Br ZINC001172488815 1051416588 /nfs/dbraw/zinc/41/65/88/1051416588.db2.gz OMAFRQSQLQCRJG-CHWSQXEVSA-N 1 0 309.251 4.052 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc(Br)c1Cl ZINC001172489696 1051417282 /nfs/dbraw/zinc/41/72/82/1051417282.db2.gz YSEAOTWMRSNLGU-SNVBAGLBSA-N 1 0 315.642 4.274 20 30 DIEDRO COc1cccc2c1CC[C@@H](CCC[NH2+][C@H](C)CCCC#N)C2 ZINC001172492342 1051418147 /nfs/dbraw/zinc/41/81/47/1051418147.db2.gz MTUGJMOYTAKSIS-IAGOWNOFSA-N 1 0 314.473 4.252 20 30 DIEDRO COc1ccccc1CC1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172497149 1051418286 /nfs/dbraw/zinc/41/82/86/1051418286.db2.gz YUMGVGQTABQXNW-INIZCTEOSA-N 1 0 300.446 4.032 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC001172494348 1051418777 /nfs/dbraw/zinc/41/87/77/1051418777.db2.gz ZGUWKYJMCUCOEE-AWEZNQCLSA-N 1 0 306.837 4.018 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](c1cccnc1C(F)(F)F)C1CC1 ZINC001172492538 1051419026 /nfs/dbraw/zinc/41/90/26/1051419026.db2.gz SMGUTKRHCWLMDC-BXUZGUMPSA-N 1 0 311.351 4.223 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172501667 1051419910 /nfs/dbraw/zinc/41/99/10/1051419910.db2.gz DYKFLVFHUHGMFR-INIZCTEOSA-N 1 0 323.477 4.465 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CCN(c2ncccn2)C1 ZINC001172501556 1051419951 /nfs/dbraw/zinc/41/99/51/1051419951.db2.gz IQNALVCQSTWFCB-MSOLQXFVSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001172501608 1051420123 /nfs/dbraw/zinc/42/01/23/1051420123.db2.gz DIFZFMKZQDONLB-QZTJIDSGSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172502163 1051420250 /nfs/dbraw/zinc/42/02/50/1051420250.db2.gz ONYRUWSLOKDCDL-QFBILLFUSA-N 1 0 323.477 4.250 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172502162 1051420516 /nfs/dbraw/zinc/42/05/16/1051420516.db2.gz ONYRUWSLOKDCDL-LPHOPBHVSA-N 1 0 323.477 4.250 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172501617 1051420916 /nfs/dbraw/zinc/42/09/16/1051420916.db2.gz DYTRGKVLPLFANM-LPHOPBHVSA-N 1 0 323.477 4.250 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]CC(=O)NCc1ccco1 ZINC001172503886 1051421939 /nfs/dbraw/zinc/42/19/39/1051421939.db2.gz UAYIDMNGIPEBGB-INIZCTEOSA-N 1 0 308.466 4.015 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001172502220 1051422169 /nfs/dbraw/zinc/42/21/69/1051422169.db2.gz TWMQTZDHVPTSDE-TXPKVOOTSA-N 1 0 300.446 4.074 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001172505018 1051422363 /nfs/dbraw/zinc/42/23/63/1051422363.db2.gz IULGBUOSMAJVBH-INIZCTEOSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]C1CCN(CCOC)CC1 ZINC001172504441 1051422409 /nfs/dbraw/zinc/42/24/09/1051422409.db2.gz YUGLRJRGRVWXAG-SFHVURJKSA-N 1 0 312.542 4.216 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC001172503865 1051422621 /nfs/dbraw/zinc/42/26/21/1051422621.db2.gz TWAIPQPTXMVLJT-RTBURBONSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC001172504220 1051422687 /nfs/dbraw/zinc/42/26/87/1051422687.db2.gz DWSLPDQQHJJXKR-UXHICEINSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]C1CCN(CCOC)CC1 ZINC001172504439 1051422886 /nfs/dbraw/zinc/42/28/86/1051422886.db2.gz YUGLRJRGRVWXAG-GOSISDBHSA-N 1 0 312.542 4.216 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001172505060 1051422979 /nfs/dbraw/zinc/42/29/79/1051422979.db2.gz JGOODNIHTCPEPG-HKUYNNGSSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCN(C2CCOCC2)CC1 ZINC001172505890 1051424039 /nfs/dbraw/zinc/42/40/39/1051424039.db2.gz WSAJFYLDCNRQKI-IBGZPJMESA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCC[C@H](CC)n1cc(C(=O)OCC)c(C[NH3+])n1 ZINC001172505632 1051424182 /nfs/dbraw/zinc/42/41/82/1051424182.db2.gz QUIRESQKKCQPLM-HNNXBMFYSA-N 1 0 323.481 4.220 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001172505576 1051424395 /nfs/dbraw/zinc/42/43/95/1051424395.db2.gz PKZNEHSLSPIRDN-CVEARBPZSA-N 1 0 305.453 4.465 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001172508119 1051424879 /nfs/dbraw/zinc/42/48/79/1051424879.db2.gz GLOPRTIJJIBRBE-ZWKOTPCHSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001172505715 1051425005 /nfs/dbraw/zinc/42/50/05/1051425005.db2.gz SPJCIDVISTXOAQ-MRXNPFEDSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001172507778 1051425142 /nfs/dbraw/zinc/42/51/42/1051425142.db2.gz BLSIYEAUIYMANP-CVEARBPZSA-N 1 0 305.453 4.465 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCN(C2CCOCC2)CC1 ZINC001172505891 1051425158 /nfs/dbraw/zinc/42/51/58/1051425158.db2.gz WSAJFYLDCNRQKI-LJQANCHMSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001172505714 1051425333 /nfs/dbraw/zinc/42/53/33/1051425333.db2.gz SPJCIDVISTXOAQ-INIZCTEOSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001172505579 1051425493 /nfs/dbraw/zinc/42/54/93/1051425493.db2.gz PKZNEHSLSPIRDN-JKSUJKDBSA-N 1 0 305.453 4.465 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001172508745 1051425972 /nfs/dbraw/zinc/42/59/72/1051425972.db2.gz NMXVGWMKUAZYCE-OALUTQOASA-N 1 0 324.553 4.359 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001172510347 1051426059 /nfs/dbraw/zinc/42/60/59/1051426059.db2.gz ACJDEQATMIRLHT-WMZOPIPTSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001172508715 1051426227 /nfs/dbraw/zinc/42/62/27/1051426227.db2.gz NBUSFSRZXOZJII-KRWDZBQOSA-N 1 0 320.477 4.487 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001172509128 1051426312 /nfs/dbraw/zinc/42/63/12/1051426312.db2.gz SZZKEEOZYUMJHP-PKOBYXMFSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001172510344 1051426361 /nfs/dbraw/zinc/42/63/61/1051426361.db2.gz ACJDEQATMIRLHT-AEFFLSMTSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001172510506 1051426571 /nfs/dbraw/zinc/42/65/71/1051426571.db2.gz DMKJYEQUWVNRHU-INIZCTEOSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001172510442 1051426691 /nfs/dbraw/zinc/42/66/91/1051426691.db2.gz CBFVQJFJGYXLPQ-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCN(CCCOC)CC1 ZINC001172510354 1051426783 /nfs/dbraw/zinc/42/67/83/1051426783.db2.gz AJFVJVBMFJVETJ-IBGZPJMESA-N 1 0 312.542 4.170 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001172510507 1051426826 /nfs/dbraw/zinc/42/68/26/1051426826.db2.gz DMKJYEQUWVNRHU-MRXNPFEDSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001172509477 1051426870 /nfs/dbraw/zinc/42/68/70/1051426870.db2.gz XESSDKNUSBIVGX-QGZVFWFLSA-N 1 0 309.494 4.340 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001172509432 1051426889 /nfs/dbraw/zinc/42/68/89/1051426889.db2.gz WPJNNTRAJVGWJS-ROUUACIJSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001172510384 1051427055 /nfs/dbraw/zinc/42/70/55/1051427055.db2.gz AXCBIEPBMMMSKV-INIZCTEOSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@H](CCC)n1nc(COC)c2c1C[NH2+]C2 ZINC001172510510 1051427083 /nfs/dbraw/zinc/42/70/83/1051427083.db2.gz DODIORMEJSLJTN-HNNXBMFYSA-N 1 0 307.482 4.334 20 30 DIEDRO CCCCCC[C@H](CCCC)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001172511801 1051428322 /nfs/dbraw/zinc/42/83/22/1051428322.db2.gz ADIPDWBMEFOXTE-HOTGVXAUSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCC[C@H](CCCC)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001172512612 1051428416 /nfs/dbraw/zinc/42/84/16/1051428416.db2.gz RTZJCVHEILUPKZ-KRWDZBQOSA-N 1 0 322.493 4.294 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001172511228 1051428699 /nfs/dbraw/zinc/42/86/99/1051428699.db2.gz OSQIQOCINRHCBG-KRWDZBQOSA-N 1 0 324.509 4.480 20 30 DIEDRO CCCCCC[C@H](CCCC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001172512266 1051428985 /nfs/dbraw/zinc/42/89/85/1051428985.db2.gz CBWQDMPBVOFDCV-JYJNAYRXSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172512083 1051429146 /nfs/dbraw/zinc/42/91/46/1051429146.db2.gz YNSVRPJRRIMIGS-GUDVDZBRSA-N 1 0 322.537 4.458 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172563981 1051443215 /nfs/dbraw/zinc/44/32/15/1051443215.db2.gz SIBLIWXNUUFPAA-TZIWHRDSSA-N 1 0 302.421 4.253 20 30 DIEDRO CC[N@H+](CCC#N)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172575742 1051448565 /nfs/dbraw/zinc/44/85/65/1051448565.db2.gz YEXRYQOKAJPGAN-NSHDSACASA-N 1 0 300.780 4.175 20 30 DIEDRO [NH2+]=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Cl)cn1 ZINC001172543376 1051454982 /nfs/dbraw/zinc/45/49/82/1051454982.db2.gz PNZPOWUAHVITER-GDBMZVCRSA-N 1 0 313.832 4.167 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC001168871555 1051455950 /nfs/dbraw/zinc/45/59/50/1051455950.db2.gz BMWPDENIPUROSA-FQEVSTJZSA-N 1 0 322.452 4.139 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172578799 1051462452 /nfs/dbraw/zinc/46/24/52/1051462452.db2.gz ROZUNVKUXZSURA-ZYHUDNBSSA-N 1 0 300.780 4.221 20 30 DIEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172626226 1051476202 /nfs/dbraw/zinc/47/62/02/1051476202.db2.gz JVVKJLFKWYVHBE-CVEARBPZSA-N 1 0 310.482 4.110 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC001172869486 1051526209 /nfs/dbraw/zinc/52/62/09/1051526209.db2.gz CAAVRBTUZXEUEF-CYBMUJFWSA-N 1 0 316.857 4.482 20 30 DIEDRO CC1(C)C[C@H](Nc2nc3ccccc3cc2C#N)C[C@@](C)(C[NH3+])C1 ZINC001169136031 1051526416 /nfs/dbraw/zinc/52/64/16/1051526416.db2.gz FATNEUGISBFGJC-OXJNMPFZSA-N 1 0 322.456 4.062 20 30 DIEDRO CC1(C)C[C@@H](Nc2nc3ccccc3cc2C#N)C[C@](C)(C[NH3+])C1 ZINC001169136034 1051527514 /nfs/dbraw/zinc/52/75/14/1051527514.db2.gz FATNEUGISBFGJC-UZLBHIALSA-N 1 0 322.456 4.062 20 30 DIEDRO Cc1ccc2c(c1)C[C@H]([N@H+](CCC#N)Cc1ccccc1)CC2 ZINC001172839954 1051527780 /nfs/dbraw/zinc/52/77/80/1051527780.db2.gz YDNARMSPFWTKBU-OAQYLSRUSA-N 1 0 304.437 4.268 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCc1ccc(C#N)cc1 ZINC001172845792 1051533830 /nfs/dbraw/zinc/53/38/30/1051533830.db2.gz OHHMPLCNDFADDN-ZDUSSCGKSA-N 1 0 316.807 4.114 20 30 DIEDRO CC1(C)C[C@H](Nc2cc(Cl)ccc2CC#N)C[C@](C)(C[NH3+])C1 ZINC001169144837 1051534938 /nfs/dbraw/zinc/53/49/38/1051534938.db2.gz AKTALSORGRBOES-YJBOKZPZSA-N 1 0 319.880 4.362 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCc1ccc(C#N)cc1 ZINC001172860378 1051547843 /nfs/dbraw/zinc/54/78/43/1051547843.db2.gz CMKBXBDKAADOMX-ZDUSSCGKSA-N 1 0 316.807 4.114 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000177913196 1051554210 /nfs/dbraw/zinc/55/42/10/1051554210.db2.gz TZXHGGUQTAHRSB-INIZCTEOSA-N 1 0 310.441 4.248 20 30 DIEDRO Cc1oc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c(C#N)c1C ZINC001212687703 1051554373 /nfs/dbraw/zinc/55/43/73/1051554373.db2.gz HSSLILIZIOLPTO-UHFFFAOYSA-N 1 0 309.413 4.321 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172870482 1051555652 /nfs/dbraw/zinc/55/56/52/1051555652.db2.gz ZGWQNEKIXSVKQB-GVAFMPQTSA-N 1 0 306.812 4.177 20 30 DIEDRO C=CCC[NH2+]C1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170471096 1051589512 /nfs/dbraw/zinc/58/95/12/1051589512.db2.gz QTECHRPACRJWOU-HZPDHXFCSA-N 1 0 310.482 4.109 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001168454107 1051589685 /nfs/dbraw/zinc/58/96/85/1051589685.db2.gz MBOYSQGZNGUEBD-LLVKDONJSA-N 1 0 324.321 4.181 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC001169451336 1051616075 /nfs/dbraw/zinc/61/60/75/1051616075.db2.gz HPKDYWBOYYBVIM-QZTJIDSGSA-N 1 0 309.494 4.197 20 30 DIEDRO C#CCCC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000766728508 1051633443 /nfs/dbraw/zinc/63/34/43/1051633443.db2.gz LQIGSFHJHYDVGD-IBGZPJMESA-N 1 0 313.828 4.441 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173230145 1051638804 /nfs/dbraw/zinc/63/88/04/1051638804.db2.gz QXRSCTQGAKGSKJ-HNAYVOBHSA-N 1 0 310.397 4.433 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(Cl)c(C#N)c2)c1F ZINC001216231654 1051639616 /nfs/dbraw/zinc/63/96/16/1051639616.db2.gz NPVOCQUNSPFKLW-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2c(Cl)cccc2C#N)c1F ZINC001216231435 1051639833 /nfs/dbraw/zinc/63/98/33/1051639833.db2.gz JPMYXAHGSALQHA-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO Cc1cc(C#N)cc(Cl)c1Nc1cccc(C[NH+](C)C)c1F ZINC001216231274 1051640220 /nfs/dbraw/zinc/64/02/20/1051640220.db2.gz WFNTXCKJHIRQOG-UHFFFAOYSA-N 1 0 317.795 4.464 20 30 DIEDRO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C1CC(C#N)C1 ZINC001173214124 1051649257 /nfs/dbraw/zinc/64/92/57/1051649257.db2.gz JMSXMSLFWMPBMN-VXESANQCSA-N 1 0 304.437 4.489 20 30 DIEDRO CCc1ccc(C[C@@H](C)[NH2+][C@@H]2CCc3c2cccc3C#N)cc1 ZINC001173241583 1051672865 /nfs/dbraw/zinc/67/28/65/1051672865.db2.gz OJPFNFVZWPPBRH-QVKFZJNVSA-N 1 0 304.437 4.329 20 30 DIEDRO COc1ccc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)c(CC#N)c1 ZINC001169690932 1051673637 /nfs/dbraw/zinc/67/36/37/1051673637.db2.gz NCLJNTKRAIYWST-SFHVURJKSA-N 1 0 321.424 4.001 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(C#N)cc2[nH]ccc21 ZINC001169690471 1051673678 /nfs/dbraw/zinc/67/36/78/1051673678.db2.gz MBWLADIQRFFJGM-QGZVFWFLSA-N 1 0 316.408 4.280 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2c(C#N)c[nH]c2c1 ZINC001169692439 1051675010 /nfs/dbraw/zinc/67/50/10/1051675010.db2.gz SZQFGHQESLUSQJ-GOSISDBHSA-N 1 0 316.408 4.280 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(CCC#N)cc1 ZINC001169699019 1051677019 /nfs/dbraw/zinc/67/70/19/1051677019.db2.gz SIWIVVQLVFUDBG-IBGZPJMESA-N 1 0 305.425 4.383 20 30 DIEDRO C#C[C@](C)(CC)Nc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001169702138 1051679559 /nfs/dbraw/zinc/67/95/59/1051679559.db2.gz ZGWXFDBUMQTENE-HXUWFJFHSA-N 1 0 309.457 4.020 20 30 DIEDRO C=C(C)CCc1ccccc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169710868 1051681490 /nfs/dbraw/zinc/68/14/90/1051681490.db2.gz RPDMAAKZILWVOP-UHFFFAOYSA-N 1 0 305.425 4.035 20 30 DIEDRO CCCCCCCC[C@H](CCC)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001173309758 1051681521 /nfs/dbraw/zinc/68/15/21/1051681521.db2.gz KWJJZLUALWRYIN-DLBZAZTESA-N 1 0 317.539 4.025 20 30 DIEDRO C=CCOC1CCC([NH2+]CCc2c(F)cccc2Cl)CC1 ZINC001173308350 1051682253 /nfs/dbraw/zinc/68/22/53/1051682253.db2.gz INYLHFIXMASKMU-UHFFFAOYSA-N 1 0 311.828 4.125 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)c2cc(F)cc(F)c2)CC1 ZINC001173313661 1051683505 /nfs/dbraw/zinc/68/35/05/1051683505.db2.gz CNZSWJGVCCHNNJ-UHFFFAOYSA-N 1 0 309.400 4.303 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173310771 1051683961 /nfs/dbraw/zinc/68/39/61/1051683961.db2.gz YUVGCSSUINZVKG-IAGOWNOFSA-N 1 0 309.498 4.007 20 30 DIEDRO C=CCOC1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC001173313454 1051684008 /nfs/dbraw/zinc/68/40/08/1051684008.db2.gz YAPZBLAYUBVWRG-UHFFFAOYSA-N 1 0 305.384 4.211 20 30 DIEDRO C=CCOC1CCC(n2c(C[NH3+])cc3cc(Cl)ccc32)CC1 ZINC001173311511 1051684020 /nfs/dbraw/zinc/68/40/20/1051684020.db2.gz LGMLUCSSHXIUNH-UHFFFAOYSA-N 1 0 318.848 4.440 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC001173311079 1051684077 /nfs/dbraw/zinc/68/40/77/1051684077.db2.gz DCKJWFDQVPJCCF-XVAXZDLZSA-N 1 0 322.452 4.274 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC001173311503 1051684387 /nfs/dbraw/zinc/68/43/87/1051684387.db2.gz LAPVQUMASAOULJ-UHFFFAOYSA-N 1 0 315.791 4.222 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001173285666 1051688510 /nfs/dbraw/zinc/68/85/10/1051688510.db2.gz ZSQHJIJKLXSIGE-ZWKOTPCHSA-N 1 0 310.526 4.412 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001173322987 1051692296 /nfs/dbraw/zinc/69/22/96/1051692296.db2.gz AGOTVCXEPSMQOH-CTWPCTMYSA-N 1 0 300.446 4.041 20 30 DIEDRO CC(C)[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC001169755429 1051692244 /nfs/dbraw/zinc/69/22/44/1051692244.db2.gz WHHSZBIEADSJPY-IBGZPJMESA-N 1 0 312.388 4.063 20 30 DIEDRO C=CCOC1CCC([N@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001173323423 1051692409 /nfs/dbraw/zinc/69/24/09/1051692409.db2.gz XYASUTVVTCUKQY-UHFFFAOYSA-N 1 0 316.489 4.088 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001173322116 1051692511 /nfs/dbraw/zinc/69/25/11/1051692511.db2.gz VIDBENAHAUZSPW-ACBHZAAOSA-N 1 0 303.421 4.476 20 30 DIEDRO N#CCC1CCC([NH2+]CCCOc2cccc(Cl)c2)CC1 ZINC001173325574 1051692895 /nfs/dbraw/zinc/69/28/95/1051692895.db2.gz KPMHTTVASQBZKF-UHFFFAOYSA-N 1 0 306.837 4.171 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001173328717 1051695554 /nfs/dbraw/zinc/69/55/54/1051695554.db2.gz LAKMVOMVHYXQTP-ZTUNLMCQSA-N 1 0 302.849 4.259 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC001173326776 1051695634 /nfs/dbraw/zinc/69/56/34/1051695634.db2.gz QGZSHDIXRQXGPD-UHFFFAOYSA-N 1 0 305.849 4.212 20 30 DIEDRO N#CCC1CCC([NH2+][C@H](CCO)c2cccc3ccccc32)CC1 ZINC001173330847 1051695785 /nfs/dbraw/zinc/69/57/85/1051695785.db2.gz WHQQOMKGSXBJRL-QYGXFBIXSA-N 1 0 322.452 4.325 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001173333589 1051697218 /nfs/dbraw/zinc/69/72/18/1051697218.db2.gz OAXXQECOBYFDDE-LDZOIKDWSA-N 1 0 303.837 4.248 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001173336623 1051697340 /nfs/dbraw/zinc/69/73/40/1051697340.db2.gz GXBGYYCTINYNRP-UHFFFAOYSA-N 1 0 307.441 4.210 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)C1CCC(CC#N)CC1 ZINC001173336790 1051697374 /nfs/dbraw/zinc/69/73/74/1051697374.db2.gz LUEHFVXGPFJUNE-HJOIGYKYSA-N 1 0 300.446 4.030 20 30 DIEDRO N#CCC1CCC([NH2+]CC2(Cc3cccc(F)c3)CC2)CC1 ZINC001173331387 1051697612 /nfs/dbraw/zinc/69/76/12/1051697612.db2.gz CAEPQKUSVDUKQO-UHFFFAOYSA-N 1 0 300.421 4.210 20 30 DIEDRO C[N@H+](Cc1ccccc1Br)C1CCC(CC#N)CC1 ZINC001173331040 1051697800 /nfs/dbraw/zinc/69/78/00/1051697800.db2.gz KLZDMIHRYFDZJG-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO COc1cccc(C2CC[NH+](C3CCC(CC#N)CC3)CC2)c1 ZINC001173339390 1051699367 /nfs/dbraw/zinc/69/93/67/1051699367.db2.gz GIBNDDWLBZBXQD-UHFFFAOYSA-N 1 0 312.457 4.347 20 30 DIEDRO C=CCN(C)CC[N@@H+](CC)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001169831735 1051701679 /nfs/dbraw/zinc/70/16/79/1051701679.db2.gz BAFRHHJUOOOVQW-CYBMUJFWSA-N 1 0 315.288 4.494 20 30 DIEDRO C=C[C@H](OC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000805963101 1051707847 /nfs/dbraw/zinc/70/78/47/1051707847.db2.gz QDQQLNMNKQQQHE-SFHVURJKSA-N 1 0 315.457 4.043 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001173314520 1051708772 /nfs/dbraw/zinc/70/87/72/1051708772.db2.gz RLBIWTYWOYDWNU-RWBZWWBESA-N 1 0 307.865 4.374 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](CC)c2ccccc2OC)CC1 ZINC001173317852 1051710179 /nfs/dbraw/zinc/71/01/79/1051710179.db2.gz KSCUXXOZNYGBKW-HTWSVDAQSA-N 1 0 303.446 4.250 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001173317302 1051710236 /nfs/dbraw/zinc/71/02/36/1051710236.db2.gz UXHVDRLHQZEXPN-UHFFFAOYSA-N 1 0 317.473 4.467 20 30 DIEDRO C=CCOC1CCC([NH2+]CC2(Cc3ccccc3F)CC2)CC1 ZINC001173318103 1051710438 /nfs/dbraw/zinc/71/04/38/1051710438.db2.gz VDLDZJXRBXGKGP-UHFFFAOYSA-N 1 0 317.448 4.252 20 30 DIEDRO C=CCOC1CCC([NH2+]CCC2CCC(F)(F)CC2)CC1 ZINC001173318529 1051710552 /nfs/dbraw/zinc/71/05/52/1051710552.db2.gz ZASKDCVUWJBAQB-UHFFFAOYSA-N 1 0 301.421 4.305 20 30 DIEDRO C=CCOC1CCC(NC(=[NH2+])c2cccc3ccccc32)CC1 ZINC001173318469 1051710757 /nfs/dbraw/zinc/71/07/57/1051710757.db2.gz WFXULQXYTCPNRW-UHFFFAOYSA-N 1 0 308.425 4.269 20 30 DIEDRO C=CCOC1CCC([NH2+]CC(C)(C)Cc2ccc(F)cc2)CC1 ZINC001173317446 1051710811 /nfs/dbraw/zinc/71/08/11/1051710811.db2.gz JATSVHNHZICMPX-UHFFFAOYSA-N 1 0 319.464 4.498 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC001173316998 1051710989 /nfs/dbraw/zinc/71/09/89/1051710989.db2.gz QUMAIPZXCAUSMG-UHFFFAOYSA-N 1 0 303.421 4.308 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001173318152 1051711360 /nfs/dbraw/zinc/71/13/60/1051711360.db2.gz WFHMEHNPRWLJPN-HTWSVDAQSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC001173319067 1051712277 /nfs/dbraw/zinc/71/22/77/1051712277.db2.gz WURCQSLONKOJGM-FAFZWHIHSA-N 1 0 303.421 4.307 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001173319746 1051712521 /nfs/dbraw/zinc/71/25/21/1051712521.db2.gz ULSXOAZVVSQQGG-HIEASXQVSA-N 1 0 305.849 4.299 20 30 DIEDRO C=CCOC1CCC(NC(=[NH2+])c2c(C)cccc2Cl)CC1 ZINC001173319365 1051713735 /nfs/dbraw/zinc/71/37/35/1051713735.db2.gz HMIXKHQSSFWPGU-UHFFFAOYSA-N 1 0 306.837 4.077 20 30 DIEDRO C=C(Cl)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001170499203 1051741734 /nfs/dbraw/zinc/74/17/34/1051741734.db2.gz FBJKVVDWPGZYLB-ZDUSSCGKSA-N 1 0 314.654 4.066 20 30 DIEDRO C=CCCCCCC[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000806168245 1051744527 /nfs/dbraw/zinc/74/45/27/1051744527.db2.gz YOJNWKRBTGACPF-UHFFFAOYSA-N 1 0 305.466 4.384 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000184747376 1051746538 /nfs/dbraw/zinc/74/65/38/1051746538.db2.gz VELMEKKKEAESCD-OAHLLOKOSA-N 1 0 300.446 4.199 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCCOc2ccc(Cl)cc2)CC1 ZINC001173584637 1051753345 /nfs/dbraw/zinc/75/33/45/1051753345.db2.gz DYWFABWOMUKQCT-UHFFFAOYSA-N 1 0 306.837 4.171 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001173584590 1051754220 /nfs/dbraw/zinc/75/42/20/1051754220.db2.gz BNFAMPSLKSSYMP-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO CC(C)(C[NH2+]C1CCC(C)(C#N)CC1)Cc1ccc(F)cc1 ZINC001173591433 1051754955 /nfs/dbraw/zinc/75/49/55/1051754955.db2.gz QFBIZZNWAAZUFR-UHFFFAOYSA-N 1 0 302.437 4.456 20 30 DIEDRO C#CCC(C)(C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000767070854 1051755063 /nfs/dbraw/zinc/75/50/63/1051755063.db2.gz CRJOWIBLLRUALD-MRXNPFEDSA-N 1 0 312.457 4.049 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001173592205 1051755306 /nfs/dbraw/zinc/75/53/06/1051755306.db2.gz KCLIWJOJIUDMQG-CKHPTIKVSA-N 1 0 319.452 4.366 20 30 DIEDRO COc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)c2ccccc12 ZINC001173590238 1051755542 /nfs/dbraw/zinc/75/55/42/1051755542.db2.gz AECKQFXUMARNQG-UHFFFAOYSA-N 1 0 308.425 4.410 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001173588566 1051755661 /nfs/dbraw/zinc/75/56/61/1051755661.db2.gz KXNLJFTWQHQHRD-WIHSUSGWSA-N 1 0 303.837 4.248 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001173588212 1051755842 /nfs/dbraw/zinc/75/58/42/1051755842.db2.gz DOMJOJQLAMMCMA-UHFFFAOYSA-N 1 0 305.425 4.311 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001173600362 1051757379 /nfs/dbraw/zinc/75/73/79/1051757379.db2.gz CJDFXPLNZQPVGI-UHFFFAOYSA-N 1 0 306.453 4.223 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001173593993 1051758608 /nfs/dbraw/zinc/75/86/08/1051758608.db2.gz ZLKQZKCVJYULRE-WIHSUSGWSA-N 1 0 303.837 4.248 20 30 DIEDRO N#CCSCCC[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000185456134 1051766676 /nfs/dbraw/zinc/76/66/76/1051766676.db2.gz KKSMNCIQEKJZDJ-UHFFFAOYSA-N 1 0 302.487 4.168 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000806168747 1051769149 /nfs/dbraw/zinc/76/91/49/1051769149.db2.gz YZKZEMUNHYRSQR-HNNXBMFYSA-N 1 0 300.446 4.358 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC3(CCc4ccccc43)CC2)o1 ZINC001173684131 1051771356 /nfs/dbraw/zinc/77/13/56/1051771356.db2.gz CAQBFESAEPEPCL-UHFFFAOYSA-N 1 0 306.409 4.068 20 30 DIEDRO CC1CC[NH+](Cc2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185724921 1051781207 /nfs/dbraw/zinc/78/12/07/1051781207.db2.gz PYVRNJQIODWDQC-AZUAARDMSA-N 1 0 311.473 4.413 20 30 DIEDRO CC1CC[NH+](Cc2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185724941 1051781343 /nfs/dbraw/zinc/78/13/43/1051781343.db2.gz PYVRNJQIODWDQC-ICSRJNTNSA-N 1 0 311.473 4.413 20 30 DIEDRO CC1(C#N)CC[NH+](C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173689112 1051781310 /nfs/dbraw/zinc/78/13/10/1051781310.db2.gz GRHFJGUBQJTARC-UHFFFAOYSA-N 1 0 308.469 4.439 20 30 DIEDRO C=C(C)C[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173700934 1051783302 /nfs/dbraw/zinc/78/33/02/1051783302.db2.gz RGAZICBSHOEENG-HXUWFJFHSA-N 1 0 307.437 4.289 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1OCC ZINC000185770703 1051784494 /nfs/dbraw/zinc/78/44/94/1051784494.db2.gz VQLOMSCIZJLAFS-YQQAZPJKSA-N 1 0 316.445 4.217 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC001173724636 1051784718 /nfs/dbraw/zinc/78/47/18/1051784718.db2.gz ZEOZIZOMUKVXKQ-OXQOHEQNSA-N 1 0 323.436 4.311 20 30 DIEDRO N#CCCC[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173707850 1051785315 /nfs/dbraw/zinc/78/53/15/1051785315.db2.gz MQQPHFIHDSBFMM-FQEVSTJZSA-N 1 0 320.436 4.016 20 30 DIEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCCCC#N ZINC000185926208 1051791087 /nfs/dbraw/zinc/79/10/87/1051791087.db2.gz WRQYIAIQUUTHOX-HNNXBMFYSA-N 1 0 323.278 4.396 20 30 DIEDRO CCc1nc2ccccc2n1[NH+]=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000767361873 1051794103 /nfs/dbraw/zinc/79/41/03/1051794103.db2.gz KSGYKFYTISNZNU-GFOQUFSWSA-N 1 0 320.352 4.054 20 30 DIEDRO CCc1nc2ccccc2n1[NH+]=C/C=C\c1ccccc1OC ZINC000767374135 1051798688 /nfs/dbraw/zinc/79/86/88/1051798688.db2.gz QYTACYPFLZBDIU-GSOGIWNDSA-N 1 0 305.381 4.155 20 30 DIEDRO COc1ccc(C[N@H+](C)C/C(C)=C/c2ccccc2)cc1C#N ZINC000494234863 1051857521 /nfs/dbraw/zinc/85/75/21/1051857521.db2.gz RXFYCIKFQLIPEH-LFIBNONCSA-N 1 0 306.409 4.102 20 30 DIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCC2)cc1 ZINC000767901470 1051864226 /nfs/dbraw/zinc/86/42/26/1051864226.db2.gz HQMGWFMQLIQYPM-VQTJNVASSA-N 1 0 312.457 4.026 20 30 DIEDRO C[N@@H+]1CCCC(N=Nc2c(Cl)cc(F)cc2Cl)CC1 ZINC000767909970 1051865133 /nfs/dbraw/zinc/86/51/33/1051865133.db2.gz PQQGTZDDDYOZCR-UHFFFAOYSA-N 1 0 304.196 4.016 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000767957959 1051870654 /nfs/dbraw/zinc/87/06/54/1051870654.db2.gz MOTXJHDRVSGFGC-KRWDZBQOSA-N 1 0 315.457 4.044 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494288749 1051871758 /nfs/dbraw/zinc/87/17/58/1051871758.db2.gz VLTSKMDPXABZCL-WJDWOHSUSA-N 1 0 306.409 4.102 20 30 DIEDRO Cc1cc(C)cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000609195509 1051883257 /nfs/dbraw/zinc/88/32/57/1051883257.db2.gz JGYDEMUUTZZNGX-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO CCC[N@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768160754 1051889761 /nfs/dbraw/zinc/88/97/61/1051889761.db2.gz OEUZILKHXNURAF-KRWDZBQOSA-N 1 0 308.425 4.390 20 30 DIEDRO CCOc1ccc(C[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000768162314 1051890646 /nfs/dbraw/zinc/89/06/46/1051890646.db2.gz AGKPNSXZMVPPTJ-INIZCTEOSA-N 1 0 324.424 4.008 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000768223111 1051904881 /nfs/dbraw/zinc/90/48/81/1051904881.db2.gz BLEZDMUTSCFIPP-OAQYLSRUSA-N 1 0 319.452 4.374 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494497645 1051905607 /nfs/dbraw/zinc/90/56/07/1051905607.db2.gz RZDHCCSMSAWDJV-WDEREUQCSA-N 1 0 316.323 4.304 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000768274768 1051914781 /nfs/dbraw/zinc/91/47/81/1051914781.db2.gz GBPALFGRWWNOMZ-KDOFPFPSSA-N 1 0 311.450 4.488 20 30 DIEDRO C=CCCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000807591106 1051916413 /nfs/dbraw/zinc/91/64/13/1051916413.db2.gz AHKIERCHLQSBRE-ZWKOTPCHSA-N 1 0 323.525 4.027 20 30 DIEDRO CS[C@H]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000768400877 1051925025 /nfs/dbraw/zinc/92/50/25/1051925025.db2.gz AUWHHLFHRPBVEL-IAFLDTSXSA-N 1 0 314.498 4.264 20 30 DIEDRO CCOc1ccc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c(O)c1 ZINC000768513897 1051935483 /nfs/dbraw/zinc/93/54/83/1051935483.db2.gz REKHOHLNQFAWEK-OAHLLOKOSA-N 1 0 324.424 4.246 20 30 DIEDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H](C)c1ccc(C#N)cc1 ZINC000768512511 1051936738 /nfs/dbraw/zinc/93/67/38/1051936738.db2.gz IWKVTCVJGJQWLF-MRXNPFEDSA-N 1 0 308.425 4.464 20 30 DIEDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768530007 1051941221 /nfs/dbraw/zinc/94/12/21/1051941221.db2.gz BVUUHCCCCHHJHP-OXJNMPFZSA-N 1 0 320.436 4.314 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)c1 ZINC000768598097 1051947518 /nfs/dbraw/zinc/94/75/18/1051947518.db2.gz OIJVAAPLXUVECT-SOLBZPMBSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000191664482 1051981991 /nfs/dbraw/zinc/98/19/91/1051981991.db2.gz PJVUFHVABIGQDD-IBGZPJMESA-N 1 0 309.409 4.124 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@H]3CCCSC3)c2)s1 ZINC000769019305 1051991142 /nfs/dbraw/zinc/99/11/42/1051991142.db2.gz FBEXBQLSOUJIAM-HNNXBMFYSA-N 1 0 314.479 4.272 20 30 DIEDRO CCCCCCCCC(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C ZINC001131228374 1051994151 /nfs/dbraw/zinc/99/41/51/1051994151.db2.gz GSFLHTIESWDHLX-QZTJIDSGSA-N 1 0 310.526 4.458 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769110353 1051998139 /nfs/dbraw/zinc/99/81/39/1051998139.db2.gz CHGLXORLUSFRTC-GOSISDBHSA-N 1 0 320.436 4.208 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc2ncccc2c1 ZINC000769145615 1052000321 /nfs/dbraw/zinc/00/03/21/1052000321.db2.gz JZGNWVJFAWWCBF-UHFFFAOYSA-N 1 0 304.368 4.009 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCC2CCCCC2)cc1 ZINC000769240998 1052011840 /nfs/dbraw/zinc/01/18/40/1052011840.db2.gz ILWSSYYZWOPHHW-INIZCTEOSA-N 1 0 300.446 4.380 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000769337596 1052025807 /nfs/dbraw/zinc/02/58/07/1052025807.db2.gz FVDMQISNUSTINZ-MAUKXSAKSA-N 1 0 324.399 4.106 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000769337597 1052026162 /nfs/dbraw/zinc/02/61/62/1052026162.db2.gz FVDMQISNUSTINZ-QAPCUYQASA-N 1 0 324.399 4.106 20 30 DIEDRO Cc1c(C[NH2+]CC(C)(C)CCC#N)sc2nc(C)nc(C)c12 ZINC000808429630 1052030615 /nfs/dbraw/zinc/03/06/15/1052030615.db2.gz FULBQKFROQAYTP-UHFFFAOYSA-N 1 0 316.474 4.036 20 30 DIEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769403280 1052042501 /nfs/dbraw/zinc/04/25/01/1052042501.db2.gz BTLVCHJEWRKEDB-KPFFTGBYSA-N 1 0 311.473 4.189 20 30 DIEDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000769426901 1052044016 /nfs/dbraw/zinc/04/40/16/1052044016.db2.gz KDQDGHPEPKVAIT-FUHWJXTLSA-N 1 0 300.446 4.236 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000769487625 1052051487 /nfs/dbraw/zinc/05/14/87/1052051487.db2.gz KEOQSJFUMZYCFH-UHFFFAOYSA-N 1 0 311.473 4.193 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)cc1 ZINC000769503373 1052069552 /nfs/dbraw/zinc/06/95/52/1052069552.db2.gz IWOXUBYHCSQEHJ-UWJYYQICSA-N 1 0 320.436 4.141 20 30 DIEDRO CC(C)C[N@H+](CC[C@H](O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000808715503 1052076175 /nfs/dbraw/zinc/07/61/75/1052076175.db2.gz UXTGTVXJDTWXHQ-NRFANRHFSA-N 1 0 322.452 4.140 20 30 DIEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769538854 1052078435 /nfs/dbraw/zinc/07/84/35/1052078435.db2.gz YKWXIYGQNJYFKX-BXWFABGCSA-N 1 0 300.446 4.378 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000769748098 1052106594 /nfs/dbraw/zinc/10/65/94/1052106594.db2.gz WOISYBUOFMLNPX-OALUTQOASA-N 1 0 314.473 4.295 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000769815559 1052112268 /nfs/dbraw/zinc/11/22/68/1052112268.db2.gz RGRPWZAHRFVHRQ-HNNXBMFYSA-N 1 0 307.865 4.368 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(SCC)c1 ZINC000769915079 1052119888 /nfs/dbraw/zinc/11/98/88/1052119888.db2.gz WPOLBEFUEZEFFH-UHFFFAOYSA-N 1 0 311.450 4.100 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769987980 1052137570 /nfs/dbraw/zinc/13/75/70/1052137570.db2.gz LMXZQANUVXGBBZ-HNNXBMFYSA-N 1 0 322.880 4.184 20 30 DIEDRO C[C@@H]1CC[NH2+]CC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217786952 1052141359 /nfs/dbraw/zinc/14/13/59/1052141359.db2.gz ICFPRBKMCWYGLI-YSOFSAIFSA-N 1 0 308.425 4.170 20 30 DIEDRO C[Si](C)(C)C#C[C@H](OCCC1CC[NH2+]CC1)c1ccccc1 ZINC001217834690 1052151601 /nfs/dbraw/zinc/15/16/01/1052151601.db2.gz USMDRJXGBANWIF-IBGZPJMESA-N 1 0 315.533 4.015 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1OC1(Cl)c2ccccc2-c2ccccc21 ZINC001217830828 1052151784 /nfs/dbraw/zinc/15/17/84/1052151784.db2.gz AUJQFCBGXFGIKF-GOSISDBHSA-N 1 0 311.812 4.042 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1O[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001217831623 1052151999 /nfs/dbraw/zinc/15/19/99/1052151999.db2.gz IOKNFJNPUOLGJN-MOPGFXCFSA-N 1 0 313.828 4.364 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757029 1052152700 /nfs/dbraw/zinc/15/27/00/1052152700.db2.gz GWXRHGXRSQXNAO-PMACEKPBSA-N 1 0 306.409 4.083 20 30 DIEDRO CC[C@H](c1ccccc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757032 1052152845 /nfs/dbraw/zinc/15/28/45/1052152845.db2.gz GWXRHGXRSQXNAO-WOJBJXKFSA-N 1 0 306.409 4.083 20 30 DIEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761759439 1052153992 /nfs/dbraw/zinc/15/39/92/1052153992.db2.gz OQBOLHBXZBHPPF-OXQOHEQNSA-N 1 0 306.409 4.001 20 30 DIEDRO F[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O/C(=N/c1ccccc1)c1ccccc1)[NH2+]2 ZINC001217858811 1052156466 /nfs/dbraw/zinc/15/64/66/1052156466.db2.gz WBQKKFRWABFGMT-DFOYULELSA-N 1 0 324.399 4.013 20 30 DIEDRO C=C[C@H](CCCCCCC)OC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217883853 1052162873 /nfs/dbraw/zinc/16/28/73/1052162873.db2.gz IXXIRQWWWOBUHJ-MSOLQXFVSA-N 1 0 309.494 4.077 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)OCCCC1CC[NH2+]CC1 ZINC001217888655 1052164542 /nfs/dbraw/zinc/16/45/42/1052164542.db2.gz BPBHSRSSTHLPJP-INIZCTEOSA-N 1 0 303.446 4.109 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)OCCCCC1CC[NH2+]CC1 ZINC001217888745 1052164616 /nfs/dbraw/zinc/16/46/16/1052164616.db2.gz CZNIBHNRRCLKNG-QGZVFWFLSA-N 1 0 317.473 4.499 20 30 DIEDRO C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCC[C@H]([NH3+])c1ccc(OC)cc1 ZINC001217896565 1052167118 /nfs/dbraw/zinc/16/71/18/1052167118.db2.gz JMHLKTZVQFYIBQ-MVJPYGJCSA-N 1 0 317.473 4.483 20 30 DIEDRO C=C[C@@H](CCCCCC)OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217896478 1052167132 /nfs/dbraw/zinc/16/71/32/1052167132.db2.gz RLFIFJKQMHYOQN-ZWKOTPCHSA-N 1 0 309.494 4.077 20 30 DIEDRO CCC[C@@H](C#Cc1ccccc1)OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217926766 1052172010 /nfs/dbraw/zinc/17/20/10/1052172010.db2.gz CRHZKIKSJBMBMZ-QFIPXVFZSA-N 1 0 319.448 4.069 20 30 DIEDRO C(#C[C@H](OCC[C@@H]1CCC[NH2+]C1)c1ccccc1)c1ccccc1 ZINC001217929866 1052172084 /nfs/dbraw/zinc/17/20/84/1052172084.db2.gz ZCTCNMVVMRQCTQ-UNMCSNQZSA-N 1 0 319.448 4.186 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OC(c1ccccc1)c1ccccc1 ZINC001217927658 1052172295 /nfs/dbraw/zinc/17/22/95/1052172295.db2.gz WNQYPSGYCUPERM-WOJBJXKFSA-N 1 0 307.437 4.489 20 30 DIEDRO O=C(/C=C/c1ccccc1)c1ccc(O[C@@H]2CCCC[NH2+]C2)cc1 ZINC001217970550 1052178488 /nfs/dbraw/zinc/17/84/88/1052178488.db2.gz NPEQZVBATSNOOH-CBHXRGPZSA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@@H]1C[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)CC[NH2+]1 ZINC001218054726 1052189739 /nfs/dbraw/zinc/18/97/39/1052189739.db2.gz FWOLFXRJFIBXIH-KBXJCHCYSA-N 1 0 321.420 4.102 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3scnc3C3CC3)CC2)cc1 ZINC000494977077 1052190216 /nfs/dbraw/zinc/19/02/16/1052190216.db2.gz NLCOGTUAQWMOFL-UHFFFAOYSA-N 1 0 321.449 4.181 20 30 DIEDRO C[C@H]1C[C@H](Oc2ccccc2C=Nc2ccc(F)cc2)CC[NH2+]1 ZINC001218059690 1052190766 /nfs/dbraw/zinc/19/07/66/1052190766.db2.gz KNOSVUJHLQDIIZ-KBXCAEBGSA-N 1 0 312.388 4.096 20 30 DIEDRO C[C@@H]1C[C@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)CC[NH2+]1 ZINC001218060230 1052191488 /nfs/dbraw/zinc/19/14/88/1052191488.db2.gz MIIHUOQVAYVGOR-XNBYFLLNSA-N 1 0 312.388 4.096 20 30 DIEDRO N#Cc1ccc(-c2ccc(O[C@H]3CCC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001218092203 1052195001 /nfs/dbraw/zinc/19/50/01/1052195001.db2.gz GYJSLMSXMAWMNS-LEWJYISDSA-N 1 0 318.420 4.136 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1Oc1ccccc1NN=C1C=CC=CC1=O ZINC001218208072 1052206685 /nfs/dbraw/zinc/20/66/85/1052206685.db2.gz WDFOSRWJFKLMQO-PNBGARPFSA-N 1 0 309.369 4.105 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1Oc1cccc2ccc3c(C)cc(C)nc3c21 ZINC001218210881 1052208653 /nfs/dbraw/zinc/20/86/53/1052208653.db2.gz LRAYVPPQUMUDGD-LJQANCHMSA-N 1 0 318.420 4.302 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](Oc1ccccc1C[NH3+])c1ccccc1 ZINC001218215404 1052208803 /nfs/dbraw/zinc/20/88/03/1052208803.db2.gz SBGDDTQIZJYORT-LJQANCHMSA-N 1 0 309.485 4.146 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC001218210499 1052209029 /nfs/dbraw/zinc/20/90/29/1052209029.db2.gz DPZYRQAMHYEYGU-SFHVURJKSA-N 1 0 309.369 4.105 20 30 DIEDRO CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1F ZINC000495078537 1052211203 /nfs/dbraw/zinc/21/12/03/1052211203.db2.gz JVBSIYGVCKSNHM-UHFFFAOYSA-N 1 0 324.399 4.261 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218253211 1052212685 /nfs/dbraw/zinc/21/26/85/1052212685.db2.gz CGEZBZSJUGFQAU-UHFFFAOYSA-N 1 0 320.436 4.348 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)cc2)cc1 ZINC001218251190 1052213108 /nfs/dbraw/zinc/21/31/08/1052213108.db2.gz RANGJUZFPMXDMQ-IMSAHNGKSA-N 1 0 324.399 4.096 20 30 DIEDRO N#Cc1ccc(-c2cccc(OC3CC4(C3)CCC[NH2+]C4)c2)cc1 ZINC001218254965 1052214268 /nfs/dbraw/zinc/21/42/68/1052214268.db2.gz KZYDEGKZEAOZBN-UHFFFAOYSA-N 1 0 318.420 4.136 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@H]3C[NH2+]CCC34CC4)cc2)cc1 ZINC001218403847 1052235028 /nfs/dbraw/zinc/23/50/28/1052235028.db2.gz LOXWHBZAQSPIOD-QMFLXTPQSA-N 1 0 324.399 4.097 20 30 DIEDRO C[C@@H]1CC[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C[NH2+]1 ZINC001218409136 1052236374 /nfs/dbraw/zinc/23/63/74/1052236374.db2.gz WZAMEKXPEJYTRI-IDGDNWQNSA-N 1 0 321.420 4.102 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000130559423 1052237807 /nfs/dbraw/zinc/23/78/07/1052237807.db2.gz RVAYFIYZAQHWAR-UGSOOPFHSA-N 1 0 314.816 4.077 20 30 DIEDRO C=CC[C@H](CCCC)Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001218438701 1052238690 /nfs/dbraw/zinc/23/86/90/1052238690.db2.gz NMTRZKUSLRUFIJ-LJQANCHMSA-N 1 0 316.489 4.123 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc2c(cccc2Cl)s1 ZINC001218456324 1052241599 /nfs/dbraw/zinc/24/15/99/1052241599.db2.gz XKXAWRWLZHUWMW-VXGBXAGGSA-N 1 0 308.834 4.025 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc2nc(Cl)sc21 ZINC001218457109 1052241643 /nfs/dbraw/zinc/24/16/43/1052241643.db2.gz DKBAOYVCVJCQJU-ZYHUDNBSSA-N 1 0 308.834 4.025 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(C(F)(F)F)ccc1Cl ZINC001218452201 1052241863 /nfs/dbraw/zinc/24/18/63/1052241863.db2.gz RJPABRGJQHTAGU-CHWSQXEVSA-N 1 0 319.754 4.434 20 30 DIEDRO C=C1C[NH2+][C@](C)(C(=O)Nc2ccccc2Oc2ccccc2C)C1 ZINC001218851858 1052259784 /nfs/dbraw/zinc/25/97/84/1052259784.db2.gz VVHWCAZLGGOBHD-FQEVSTJZSA-N 1 0 322.408 4.034 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC001218962119 1052263382 /nfs/dbraw/zinc/26/33/82/1052263382.db2.gz LZNVCJJTTKXULR-HNNXBMFYSA-N 1 0 318.461 4.092 20 30 DIEDRO C=C(C)Cc1ccc(C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)cc1 ZINC001218973681 1052265718 /nfs/dbraw/zinc/26/57/18/1052265718.db2.gz KXGFVZRSPUQAOE-UHFFFAOYSA-N 1 0 320.436 4.395 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219027930 1052269677 /nfs/dbraw/zinc/26/96/77/1052269677.db2.gz IONCGQSNKRURHN-OAHLLOKOSA-N 1 0 318.461 4.104 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000193333904 1052320044 /nfs/dbraw/zinc/32/00/44/1052320044.db2.gz ZMXMLTUUYMZKLB-DVOMOZLQSA-N 1 0 310.363 4.481 20 30 DIEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000315548643 1052343820 /nfs/dbraw/zinc/34/38/20/1052343820.db2.gz WXDQLUMBDKDYDV-ZWKOTPCHSA-N 1 0 300.446 4.283 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CCO1 ZINC000495437723 1052351192 /nfs/dbraw/zinc/35/11/92/1052351192.db2.gz CRMAXDZEVOGQJE-IRWQIABSSA-N 1 0 318.436 4.332 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CCO1 ZINC000495437724 1052351430 /nfs/dbraw/zinc/35/14/30/1052351430.db2.gz CRMAXDZEVOGQJE-IXDGSTSKSA-N 1 0 318.436 4.332 20 30 DIEDRO CCCCCCCCCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000316891157 1052376285 /nfs/dbraw/zinc/37/62/85/1052376285.db2.gz CSDQZXDVSQIUPD-GOSISDBHSA-N 1 0 311.510 4.445 20 30 DIEDRO Cc1cc(C[NH2+][C@H](Cc2cccnc2)C2CCCC2)ccc1C#N ZINC001203452307 1052411655 /nfs/dbraw/zinc/41/16/55/1052411655.db2.gz JHLOSWVFWUYWAS-OAQYLSRUSA-N 1 0 319.452 4.153 20 30 DIEDRO CC(CCCC[NH+](C)C)N=Nc1cccc(C(F)(F)F)c1 ZINC000781114485 1052420001 /nfs/dbraw/zinc/42/00/01/1052420001.db2.gz RCQNDFSNTIZVEC-UHFFFAOYSA-N 1 0 301.356 4.225 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000762795838 1052423816 /nfs/dbraw/zinc/42/38/16/1052423816.db2.gz ZDNNDHMQPKVLTM-FQEVSTJZSA-N 1 0 321.468 4.495 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000236683117 1052428694 /nfs/dbraw/zinc/42/86/94/1052428694.db2.gz SGJZQXUFNKGQII-UHFFFAOYSA-N 1 0 323.436 4.330 20 30 DIEDRO C=CCc1cc(C[NH2+]CCC2=CCCCC2)cc(OC)c1O ZINC000237143741 1052436209 /nfs/dbraw/zinc/43/62/09/1052436209.db2.gz ZHTQWQZWSIYNIL-UHFFFAOYSA-N 1 0 301.430 4.109 20 30 DIEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609224150 1052457298 /nfs/dbraw/zinc/45/72/98/1052457298.db2.gz KULGOAVKOPFHCJ-IERDGZPVSA-N 1 0 320.436 4.415 20 30 DIEDRO CCCCCCCCCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000915745859 1052474859 /nfs/dbraw/zinc/47/48/59/1052474859.db2.gz NIHJYBGJZWLBSV-MSOLQXFVSA-N 1 0 308.510 4.260 20 30 DIEDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000387138411 1052476359 /nfs/dbraw/zinc/47/63/59/1052476359.db2.gz CKWALGSFIVBWJP-CQSZACIVSA-N 1 0 314.816 4.283 20 30 DIEDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000193760146 1052476681 /nfs/dbraw/zinc/47/66/81/1052476681.db2.gz CDJVHTOZEBOQHH-CQSZACIVSA-N 1 0 309.369 4.050 20 30 DIEDRO C=CCc1cc(C[N@@H+](CC)C2CCCCC2)c(O)c(OC)c1 ZINC000915793466 1052478946 /nfs/dbraw/zinc/47/89/46/1052478946.db2.gz QHMFEVJDDNUVNX-UHFFFAOYSA-N 1 0 303.446 4.284 20 30 DIEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000153341959 1052515096 /nfs/dbraw/zinc/51/50/96/1052515096.db2.gz QAXGMQCBTQSYMV-MRXNPFEDSA-N 1 0 308.425 4.334 20 30 DIEDRO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763227157 1052549531 /nfs/dbraw/zinc/54/95/31/1052549531.db2.gz VXMUVFIKDXSYLR-HXUWFJFHSA-N 1 0 322.452 4.021 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC3(C2)CCCCCC3)cc1 ZINC000763240464 1052550274 /nfs/dbraw/zinc/55/02/74/1052550274.db2.gz GSUXYRWNRVIIOL-IBGZPJMESA-N 1 0 312.457 4.028 20 30 DIEDRO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763227155 1052550378 /nfs/dbraw/zinc/55/03/78/1052550378.db2.gz VXMUVFIKDXSYLR-FQEVSTJZSA-N 1 0 322.452 4.021 20 30 DIEDRO C=CCC1(NC(=O)NCCC[NH+](C(C)C)C(C)C)CCCCC1 ZINC001222979340 1052553708 /nfs/dbraw/zinc/55/37/08/1052553708.db2.gz JOYXIBLSXYBUMX-UHFFFAOYSA-N 1 0 323.525 4.074 20 30 DIEDRO C[C@@H](C/N=C/c1c(O)ccc2ccccc21)[NH+]1CCCCCC1 ZINC000915979701 1052573572 /nfs/dbraw/zinc/57/35/72/1052573572.db2.gz JBHNOTNNOKMDSD-WASCAKKMSA-N 1 0 310.441 4.229 20 30 DIEDRO C=C[C@H](O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1)c1ccccc1 ZINC001223311172 1052586807 /nfs/dbraw/zinc/58/68/07/1052586807.db2.gz XXNFRWAPZZSINR-POAQFYNOSA-N 1 0 308.425 4.161 20 30 DIEDRO C=C[C@H](O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1)c1ccccc1 ZINC001223311170 1052587361 /nfs/dbraw/zinc/58/73/61/1052587361.db2.gz XXNFRWAPZZSINR-HQRMLTQVSA-N 1 0 308.425 4.161 20 30 DIEDRO Cc1cccc([C@@H](C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000153981139 1052606916 /nfs/dbraw/zinc/60/69/16/1052606916.db2.gz AQZZZDXWPXUFDF-DLBZAZTESA-N 1 0 308.425 4.179 20 30 DIEDRO CCC(C=[NH+]n1cnnc1SCc1ccc(Cl)cc1)CC ZINC000916546222 1052614527 /nfs/dbraw/zinc/61/45/27/1052614527.db2.gz GRZDMPITJMNMAP-UHFFFAOYSA-N 1 0 322.865 4.494 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763409901 1052624706 /nfs/dbraw/zinc/62/47/06/1052624706.db2.gz VFYCWUYEKQCQMH-VQTJNVASSA-N 1 0 308.425 4.065 20 30 DIEDRO CCCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000763409875 1052624952 /nfs/dbraw/zinc/62/49/52/1052624952.db2.gz VFIXBZISVHRERM-LAUBAEHRSA-N 1 0 322.452 4.455 20 30 DIEDRO CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](CC)c1ccccc1 ZINC000763409780 1052625122 /nfs/dbraw/zinc/62/51/22/1052625122.db2.gz UEDYQAXMHMEKIN-SFTDATJTSA-N 1 0 322.452 4.455 20 30 DIEDRO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000763409987 1052625243 /nfs/dbraw/zinc/62/52/43/1052625243.db2.gz WGTLQSQJRACKPZ-NRFANRHFSA-N 1 0 322.452 4.058 20 30 DIEDRO N#CC1CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000123766632 1052633868 /nfs/dbraw/zinc/63/38/68/1052633868.db2.gz NQJMMYYDAREHFQ-UHFFFAOYSA-N 1 0 324.399 4.140 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000123743604 1052634459 /nfs/dbraw/zinc/63/44/59/1052634459.db2.gz SWLCWXQRLNDDMN-UHFFFAOYSA-N 1 0 300.789 4.336 20 30 DIEDRO C[C@H](O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccc(F)cc1 ZINC001224009285 1052659655 /nfs/dbraw/zinc/65/96/55/1052659655.db2.gz GHFORKKEWJGDSV-MGPUTAFESA-N 1 0 324.399 4.049 20 30 DIEDRO CC(C)(C)[NH+]1CCC(OCc2ccc(C#N)c3ccccc23)CC1 ZINC001224028377 1052662150 /nfs/dbraw/zinc/66/21/50/1052662150.db2.gz FLLNGBSLDLGARV-UHFFFAOYSA-N 1 0 322.452 4.491 20 30 DIEDRO CC(C)[N@@H+]1CCC[C@H](OCc2ccc(C#N)c3ccccc23)C1 ZINC001224028924 1052662317 /nfs/dbraw/zinc/66/23/17/1052662317.db2.gz LROQDZNUWFHFRT-SFHVURJKSA-N 1 0 308.425 4.101 20 30 DIEDRO CC[N@@H+]1CCC[C@@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224090547 1052666859 /nfs/dbraw/zinc/66/68/59/1052666859.db2.gz JEJTYFNHYRUICY-UOFXHNCJSA-N 1 0 308.425 4.266 20 30 DIEDRO C=CC[N@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C(C)C ZINC000917070938 1052691916 /nfs/dbraw/zinc/69/19/16/1052691916.db2.gz KCONHDCSMXFDOB-QGZVFWFLSA-N 1 0 322.452 4.052 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OCCCCCCC#N ZINC001224375860 1052692112 /nfs/dbraw/zinc/69/21/12/1052692112.db2.gz MKCFZSJQNSTASA-QUCCMNQESA-N 1 0 314.473 4.388 20 30 DIEDRO N#C[C@H]1CC[C@@H](OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001224636931 1052711826 /nfs/dbraw/zinc/71/18/26/1052711826.db2.gz QZJGFVAZZXBFSM-ZWKOTPCHSA-N 1 0 324.469 4.432 20 30 DIEDRO CCOC[C@@H](C)OCC[S+](c1ccccc1)c1ccccc1 ZINC001224636401 1052711852 /nfs/dbraw/zinc/71/18/52/1052711852.db2.gz NTHXMEMFKWXZIL-QGZVFWFLSA-N 1 0 317.474 4.165 20 30 DIEDRO CC(C)[N@H+](Cc1cnc(C2CC2)s1)Cc1ccc(C#N)cc1 ZINC000154385162 1052724640 /nfs/dbraw/zinc/72/46/40/1052724640.db2.gz OJVHGLCZVNBJLD-UHFFFAOYSA-N 1 0 311.454 4.303 20 30 DIEDRO C=CC[N@H+](Cn1c2ccccc2nc1SC(F)F)C(C)C ZINC000917481408 1052729068 /nfs/dbraw/zinc/72/90/68/1052729068.db2.gz IWNSCDAEQIXEFR-UHFFFAOYSA-N 1 0 311.401 4.205 20 30 DIEDRO C[C@H](CC(C)(C)S)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224823754 1052729662 /nfs/dbraw/zinc/72/96/62/1052729662.db2.gz GVFREMFTDQYDGM-SJLPKXTDSA-N 1 0 321.530 4.402 20 30 DIEDRO CCCCCCC[C@H](C)C[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000917641520 1052746727 /nfs/dbraw/zinc/74/67/27/1052746727.db2.gz YLBSCVMGOSXXEC-HNNXBMFYSA-N 1 0 316.493 4.363 20 30 DIEDRO CCCCCCC[C@@H](C)C[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000917641521 1052747134 /nfs/dbraw/zinc/74/71/34/1052747134.db2.gz YLBSCVMGOSXXEC-OAHLLOKOSA-N 1 0 316.493 4.363 20 30 DIEDRO C=C[C@H](CC)OC[C@@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001225152600 1052750471 /nfs/dbraw/zinc/75/04/71/1052750471.db2.gz WXCLQBUCYNFNHF-UYAOXDASSA-N 1 0 317.473 4.037 20 30 DIEDRO N#Cc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001225247799 1052763056 /nfs/dbraw/zinc/76/30/56/1052763056.db2.gz WZKXTAKYNLPSEV-CEQLMSFQSA-N 1 0 318.420 4.133 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Oc1ccc(C[NH+](C)C)cc1 ZINC001225331401 1052775325 /nfs/dbraw/zinc/77/53/25/1052775325.db2.gz CJXOIFFHUBRFTC-INIZCTEOSA-N 1 0 311.425 4.453 20 30 DIEDRO C=C[C@@H](CCCCCCC)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225546603 1052802485 /nfs/dbraw/zinc/80/24/85/1052802485.db2.gz NWRSRWWBYIFCCP-INIZCTEOSA-N 1 0 304.434 4.479 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1ccc(C#N)cc1Cl)c1cccs1 ZINC001225727443 1052821786 /nfs/dbraw/zinc/82/17/86/1052821786.db2.gz SNENQVUFKCHPJB-HNNXBMFYSA-N 1 0 320.845 4.345 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)CC2 ZINC000609288241 1052839153 /nfs/dbraw/zinc/83/91/53/1052839153.db2.gz ILVWPICUQMXDMP-OAQYLSRUSA-N 1 0 320.436 4.455 20 30 DIEDRO CC(C)c1ccc(C#N)c(O[C@H](CC[NH+](C)C)c2ccccc2)n1 ZINC001226356923 1052888564 /nfs/dbraw/zinc/88/85/64/1052888564.db2.gz VKJAGSDSAJZQID-LJQANCHMSA-N 1 0 323.440 4.148 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC000556872251 1052891546 /nfs/dbraw/zinc/89/15/46/1052891546.db2.gz WXWSGHLXDHCYBX-CMKODMSKSA-N 1 0 323.484 4.085 20 30 DIEDRO Cc1ccc(C)c([C@@H]2CN(CCC(C)(C)C#N)[C@H](C)CO2)c1 ZINC000131713088 1052893464 /nfs/dbraw/zinc/89/34/64/1052893464.db2.gz KRATXPPPEALLEU-AEFFLSMTSA-N 1 0 300.446 4.005 20 30 DIEDRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000920955037 1052956502 /nfs/dbraw/zinc/95/65/02/1052956502.db2.gz QCCPIYIOBGUCOR-KRWDZBQOSA-N 1 0 301.478 4.341 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCSCc2ccccc2)c1 ZINC000920957115 1052956832 /nfs/dbraw/zinc/95/68/32/1052956832.db2.gz ICYMONRAIJSHPC-UHFFFAOYSA-N 1 0 313.466 4.274 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC001227204558 1052972427 /nfs/dbraw/zinc/97/24/27/1052972427.db2.gz OSDUEZRNTCRYOJ-SFHVURJKSA-N 1 0 314.816 4.283 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(OCCCC#N)c1)c1cccs1 ZINC000609741581 1052990711 /nfs/dbraw/zinc/99/07/11/1052990711.db2.gz SEUDXMRCKYIPSB-UHFFFAOYSA-N 1 0 314.454 4.456 20 30 DIEDRO CC[N@H+](CC/C=C/c1ccc(Br)cc1)C[C@H](C)C#N ZINC000609766390 1052992386 /nfs/dbraw/zinc/99/23/86/1052992386.db2.gz FZYWFXJXSMAPTL-YVARQFDVSA-N 1 0 321.262 4.334 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609823461 1052994474 /nfs/dbraw/zinc/99/44/74/1052994474.db2.gz HLCVLTQAEIFEJM-KXBFYZLASA-N 1 0 308.450 4.409 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000609916456 1052999210 /nfs/dbraw/zinc/99/92/10/1052999210.db2.gz PWRUMFLNMVLPMM-CZUORRHYSA-N 1 0 312.363 4.214 20 30 DIEDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000615240663 1053010187 /nfs/dbraw/zinc/01/01/87/1053010187.db2.gz BQXLAQUJCNUDMG-OAQYLSRUSA-N 1 0 322.452 4.030 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 ZINC000237546215 1053010615 /nfs/dbraw/zinc/01/06/15/1053010615.db2.gz OYMFYLFPPGPIOP-ROUUACIJSA-N 1 0 322.452 4.315 20 30 DIEDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237555096 1053011053 /nfs/dbraw/zinc/01/10/53/1053011053.db2.gz HOIKGQOXSMYJAF-GOSISDBHSA-N 1 0 321.468 4.066 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000237581045 1053013099 /nfs/dbraw/zinc/01/30/99/1053013099.db2.gz NHUWBXUQQPSYSR-ZACQAIPSSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(c3ccccc3)CCC2)cc1 ZINC000237592585 1053014186 /nfs/dbraw/zinc/01/41/86/1053014186.db2.gz GDDSZLUVGQYDGT-QGZVFWFLSA-N 1 0 320.436 4.189 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCCc3ccccc32)cc1 ZINC000237595513 1053014760 /nfs/dbraw/zinc/01/47/60/1053014760.db2.gz ZQUYDBRHEXDRMB-APWZRJJASA-N 1 0 320.436 4.187 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000237604654 1053015458 /nfs/dbraw/zinc/01/54/58/1053015458.db2.gz FSBYVGOZPSEFPL-FOIQADDNSA-N 1 0 306.409 4.145 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000615440000 1053017179 /nfs/dbraw/zinc/01/71/79/1053017179.db2.gz AQZQGQAQMNRYJK-OXJNMPFZSA-N 1 0 306.409 4.083 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(C#N)cc1C ZINC000615459046 1053018824 /nfs/dbraw/zinc/01/88/24/1053018824.db2.gz JGWHJAFUGIGADX-UHFFFAOYSA-N 1 0 303.409 4.370 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000615473382 1053020039 /nfs/dbraw/zinc/02/00/39/1053020039.db2.gz XXJYGSTYOXJFCN-OALUTQOASA-N 1 0 322.383 4.188 20 30 DIEDRO Cc1cc(C#N)cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001227839249 1053020266 /nfs/dbraw/zinc/02/02/66/1053020266.db2.gz XHBMZWORACRCME-UTKZUKDTSA-N 1 0 320.436 4.156 20 30 DIEDRO Cc1cc(C#N)cc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001227838411 1053020520 /nfs/dbraw/zinc/02/05/20/1053020520.db2.gz MPTFXWGWMZZFTI-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCCC2CCCC2)cc1 ZINC000237695192 1053021512 /nfs/dbraw/zinc/02/15/12/1053021512.db2.gz KKVZRJLEUMYBSQ-INIZCTEOSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCc1ccc(OC2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC001227927449 1053029921 /nfs/dbraw/zinc/02/99/21/1053029921.db2.gz ZRIGTBWLXOWQOH-UHFFFAOYSA-N 1 0 303.446 4.065 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(Sc3ccccc3)CCCC2)o1 ZINC000237841777 1053031721 /nfs/dbraw/zinc/03/17/21/1053031721.db2.gz DYNVNSYLAVVRSL-UHFFFAOYSA-N 1 0 312.438 4.346 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2c(Cl)cccc2Cl)cc1 ZINC000237840709 1053031795 /nfs/dbraw/zinc/03/17/95/1053031795.db2.gz FPDMDTJPTMNEIP-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1cc(Cl)ccc1C#N)c1cccs1 ZINC001228085265 1053042350 /nfs/dbraw/zinc/04/23/50/1053042350.db2.gz YEXKOLOXSBZTRD-AWEZNQCLSA-N 1 0 320.845 4.345 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(Cl)cc(Cl)c1Cl ZINC001228115783 1053044989 /nfs/dbraw/zinc/04/49/89/1053044989.db2.gz LJJQWJDRBOPARG-SNVBAGLBSA-N 1 0 322.643 4.014 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccsc1 ZINC000187776230 1053054356 /nfs/dbraw/zinc/05/43/56/1053054356.db2.gz IFGDFUZUNRRJPR-KRWDZBQOSA-N 1 0 300.427 4.281 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000180536834 1053066828 /nfs/dbraw/zinc/06/68/28/1053066828.db2.gz WLRGWBHSCASFAV-APWZRJJASA-N 1 0 308.425 4.261 20 30 DIEDRO N#CC1(c2ccc(CNc3cc4c(c[nH+]3)CCCC4)cc2)CC1 ZINC000849346485 1053090007 /nfs/dbraw/zinc/09/00/07/1053090007.db2.gz WYYDRRFSEZASKX-UHFFFAOYSA-N 1 0 303.409 4.128 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180906013 1053103807 /nfs/dbraw/zinc/10/38/07/1053103807.db2.gz MINVGJNWXVIFAR-MGNMYUMUSA-N 1 0 322.493 4.251 20 30 DIEDRO CC(=O)/C=C/c1ccc(O[C@@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001228496392 1053118090 /nfs/dbraw/zinc/11/80/90/1053118090.db2.gz LBCRAKXTLWLXFB-GLCJEOIMSA-N 1 0 323.436 4.361 20 30 DIEDRO C[C@H](C[N+](C)(C)C)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 ZINC001228499156 1053118947 /nfs/dbraw/zinc/11/89/47/1053118947.db2.gz SZOUGJFCNOWFGR-MLRPBERTSA-N 1 0 324.444 4.056 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000180969888 1053120172 /nfs/dbraw/zinc/12/01/72/1053120172.db2.gz VRCPLPZWEAZICO-HNNXBMFYSA-N 1 0 318.829 4.277 20 30 DIEDRO CC[N@@H+]1CCC[C@H](Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228565758 1053136046 /nfs/dbraw/zinc/13/60/46/1053136046.db2.gz VFACBUXZQZUWDM-IBGZPJMESA-N 1 0 308.425 4.300 20 30 DIEDRO CC[C@@H](NCc1cc(Cl)cc(C#N)c1)c1nc(C)cs1 ZINC001351287122 1053163375 /nfs/dbraw/zinc/16/33/75/1053163375.db2.gz JKSSGALQLVWWQA-CQSZACIVSA-N 1 0 305.834 4.218 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181284836 1053178107 /nfs/dbraw/zinc/17/81/07/1053178107.db2.gz LAKGCWLSINJUJN-CABCVRRESA-N 1 0 302.418 4.039 20 30 DIEDRO C=CC[C@H](C=C)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228829624 1053187742 /nfs/dbraw/zinc/18/77/42/1053187742.db2.gz JTKCRETXLJBAJP-INIZCTEOSA-N 1 0 310.441 4.487 20 30 DIEDRO C=CC[C@@H](C=C)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228829625 1053188400 /nfs/dbraw/zinc/18/84/00/1053188400.db2.gz JTKCRETXLJBAJP-MRXNPFEDSA-N 1 0 310.441 4.487 20 30 DIEDRO C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1cccc(C#N)c1 ZINC000181420694 1053204762 /nfs/dbraw/zinc/20/47/62/1053204762.db2.gz CEFLWRPUKUMBJV-SJORKVTESA-N 1 0 308.425 4.377 20 30 DIEDRO C[C@@H]([C@H](Oc1cc(F)cc(C#N)c1)c1ccccc1)[NH+]1CCCC1 ZINC001229035175 1053230170 /nfs/dbraw/zinc/23/01/70/1053230170.db2.gz MNHZHQXOWZYTQI-YWZLYKJASA-N 1 0 324.399 4.302 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1cccc(C#N)c1Cl)c1ccccc1 ZINC001229068412 1053238090 /nfs/dbraw/zinc/23/80/90/1053238090.db2.gz ZJRZLVIZDLBAMR-MRXNPFEDSA-N 1 0 314.816 4.283 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)COCc1ccccc1 ZINC000181607002 1053257456 /nfs/dbraw/zinc/25/74/56/1053257456.db2.gz SSJVHUXSIFKLBL-SJORKVTESA-N 1 0 308.425 4.062 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2cccc(OCC#N)c2)C2CC2)ccc1F ZINC001319791476 1053273213 /nfs/dbraw/zinc/27/32/13/1053273213.db2.gz AHPWANROWIUKAL-HXUWFJFHSA-N 1 0 324.399 4.277 20 30 DIEDRO Cc1ccccc1C1(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181658088 1053274120 /nfs/dbraw/zinc/27/41/20/1053274120.db2.gz CFVQXFXRQYTIKA-QGZVFWFLSA-N 1 0 320.436 4.280 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(Nc3ccccc3)CC2)cc1 ZINC001319811487 1053275935 /nfs/dbraw/zinc/27/59/35/1053275935.db2.gz ZSSVQNFEYBFFMZ-UHFFFAOYSA-N 1 0 322.452 4.328 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001319800479 1053276309 /nfs/dbraw/zinc/27/63/09/1053276309.db2.gz HKVRBFYKAMBBRL-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001319838859 1053280530 /nfs/dbraw/zinc/28/05/30/1053280530.db2.gz SITRTNDMXQVJJN-JTQLQIEISA-N 1 0 306.749 4.172 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2cc(C#N)ccc2Cl)CC1(C)C ZINC001229250680 1053284593 /nfs/dbraw/zinc/28/45/93/1053284593.db2.gz OUMMLCKAAIPSKC-UHFFFAOYSA-N 1 0 306.837 4.242 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000181763484 1053288121 /nfs/dbraw/zinc/28/81/21/1053288121.db2.gz CRNMUXHBESVZAG-KXBFYZLASA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1cccc(C#N)c1 ZINC000181773208 1053290156 /nfs/dbraw/zinc/29/01/56/1053290156.db2.gz CNWLUCMHYWNSRV-WBAXXEDZSA-N 1 0 300.446 4.050 20 30 DIEDRO Cc1cccc2c(CC[NH2+][C@H](C)c3cccc(C#N)c3)c[nH]c21 ZINC000181808147 1053294525 /nfs/dbraw/zinc/29/45/25/1053294525.db2.gz UAGXXVLCCBHYNC-OAHLLOKOSA-N 1 0 303.409 4.241 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001320040144 1053297911 /nfs/dbraw/zinc/29/79/11/1053297911.db2.gz VLPKKTJMQKYGFS-CYBMUJFWSA-N 1 0 317.376 4.075 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1cccc(C#N)c1 ZINC000181837909 1053298313 /nfs/dbraw/zinc/29/83/13/1053298313.db2.gz WDVYKIMKZBNUHN-HZPDHXFCSA-N 1 0 316.408 4.156 20 30 DIEDRO C=CCO[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001320038924 1053298544 /nfs/dbraw/zinc/29/85/44/1053298544.db2.gz GAYXDUNGWKZNQM-OAQYLSRUSA-N 1 0 323.436 4.043 20 30 DIEDRO CCCCCCCOc1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000100019725 1053299797 /nfs/dbraw/zinc/29/97/97/1053299797.db2.gz PKXMACWFIACNBZ-UHFFFAOYSA-N 1 0 319.489 4.240 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)c1cccc(C#N)c1 ZINC000181843698 1053300247 /nfs/dbraw/zinc/30/02/47/1053300247.db2.gz XTYVQHSQXSKBDB-HZPDHXFCSA-N 1 0 316.408 4.156 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C1 ZINC001229354849 1053304401 /nfs/dbraw/zinc/30/44/01/1053304401.db2.gz ZYFCTHHVMOGSIN-DBRLUCFCSA-N 1 0 312.388 4.049 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1Br ZINC001236860345 1053312604 /nfs/dbraw/zinc/31/26/04/1053312604.db2.gz HCOWJUBYTPJORF-XJKSGUPXSA-N 1 0 319.246 4.085 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C1 ZINC001229427919 1053317968 /nfs/dbraw/zinc/31/79/68/1053317968.db2.gz DZPAFIJHEXIBOA-CBHXRGPZSA-N 1 0 321.420 4.056 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1cccc(C#N)c1 ZINC000181973775 1053319875 /nfs/dbraw/zinc/31/98/75/1053319875.db2.gz LXJNKPWSXHCGRG-OAHLLOKOSA-N 1 0 306.409 4.340 20 30 DIEDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000618551433 1053321586 /nfs/dbraw/zinc/32/15/86/1053321586.db2.gz ZVEXKUKYXCVVFJ-FQEVSTJZSA-N 1 0 314.473 4.269 20 30 DIEDRO CC(C)COc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181995624 1053322560 /nfs/dbraw/zinc/32/25/60/1053322560.db2.gz DKZMXJKGNKTEPU-INIZCTEOSA-N 1 0 308.425 4.444 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000618571888 1053323107 /nfs/dbraw/zinc/32/31/07/1053323107.db2.gz KUQPBOFEWFJCGO-GBIKHYSHSA-N 1 0 311.212 4.099 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000181997709 1053323631 /nfs/dbraw/zinc/32/36/31/1053323631.db2.gz XRCKYYGBXNJYPF-SCLBCKFNSA-N 1 0 314.816 4.250 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC001320306059 1053323715 /nfs/dbraw/zinc/32/37/15/1053323715.db2.gz LRUJHOGOFCLBKG-DOMZBBRYSA-N 1 0 313.413 4.169 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000618571887 1053323863 /nfs/dbraw/zinc/32/38/63/1053323863.db2.gz KUQPBOFEWFJCGO-BREBYQMCSA-N 1 0 311.212 4.099 20 30 DIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000181997728 1053324199 /nfs/dbraw/zinc/32/41/99/1053324199.db2.gz XRCKYYGBXNJYPF-FZKQIMNGSA-N 1 0 314.816 4.250 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(OC(C)C)CC1)c1ccc(C#N)cc1 ZINC000618572300 1053324765 /nfs/dbraw/zinc/32/47/65/1053324765.db2.gz OJOHABZYABQWHT-ACBHZAAOSA-N 1 0 300.446 4.335 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000618565211 1053325057 /nfs/dbraw/zinc/32/50/57/1053325057.db2.gz HCSZFSHCTPUVPD-AZUAARDMSA-N 1 0 320.436 4.438 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)C1 ZINC000618564698 1053325529 /nfs/dbraw/zinc/32/55/29/1053325529.db2.gz KADLVZAASBNFGJ-GOEBONIOSA-N 1 0 310.363 4.310 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCC(C)C)ccc1C#N ZINC001200046406 1053330215 /nfs/dbraw/zinc/33/02/15/1053330215.db2.gz PLEOQQGFSOLCAP-AEFFLSMTSA-N 1 0 300.446 4.261 20 30 DIEDRO C#CCCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC001320681678 1053353259 /nfs/dbraw/zinc/35/32/59/1053353259.db2.gz VKTWKEPUMBRYHL-CQSZACIVSA-N 1 0 312.638 4.093 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccc(C#N)c(F)c1 ZINC001320688405 1053356943 /nfs/dbraw/zinc/35/69/43/1053356943.db2.gz GHDNAVRWXHMGFV-LLVKDONJSA-N 1 0 304.315 4.486 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000618741672 1053357838 /nfs/dbraw/zinc/35/78/38/1053357838.db2.gz KFHVFIXZRKNFNS-OAQYLSRUSA-N 1 0 318.420 4.124 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(Cl)cc1F ZINC000618741151 1053357952 /nfs/dbraw/zinc/35/79/52/1053357952.db2.gz CVEQPIKGOUBWSC-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000618741314 1053358058 /nfs/dbraw/zinc/35/80/58/1053358058.db2.gz DPRGFCWEZNSAJH-GOSISDBHSA-N 1 0 306.340 4.221 20 30 DIEDRO CCCOc1cccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741309 1053358390 /nfs/dbraw/zinc/35/83/90/1053358390.db2.gz DTQROMPPPRUXPI-HXUWFJFHSA-N 1 0 306.409 4.124 20 30 DIEDRO COc1ccccc1C1([NH2+]CCCCC(C)(C)C#N)CCC1 ZINC001320814067 1053364021 /nfs/dbraw/zinc/36/40/21/1053364021.db2.gz KTVUBRNHRSZWLL-UHFFFAOYSA-N 1 0 300.446 4.384 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000618802386 1053366213 /nfs/dbraw/zinc/36/62/13/1053366213.db2.gz JHQXHYFDDBOZDD-OALUTQOASA-N 1 0 308.812 4.476 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000618806142 1053369715 /nfs/dbraw/zinc/36/97/15/1053369715.db2.gz PPOBNGFWRYYIHJ-OALUTQOASA-N 1 0 308.812 4.476 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000618804761 1053369741 /nfs/dbraw/zinc/36/97/41/1053369741.db2.gz MFLOFYUBMOLHFE-LEWJYISDSA-N 1 0 313.404 4.084 20 30 DIEDRO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804651 1053370000 /nfs/dbraw/zinc/37/00/00/1053370000.db2.gz LOIZTJBRIAJNJC-JLTOFOAXSA-N 1 0 308.400 4.296 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618806340 1053370031 /nfs/dbraw/zinc/37/00/31/1053370031.db2.gz QSRYJLZQQUGOGK-BDJLRTHQSA-N 1 0 311.454 4.224 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805717 1053370184 /nfs/dbraw/zinc/37/01/84/1053370184.db2.gz PAJGGYSVRIQMKS-MOPGFXCFSA-N 1 0 321.380 4.195 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 ZINC000618803420 1053370248 /nfs/dbraw/zinc/37/02/48/1053370248.db2.gz IJVWZLNWCYMLEQ-SZNDQCEHSA-N 1 0 302.421 4.385 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(OC)cc1 ZINC000618806617 1053370349 /nfs/dbraw/zinc/37/03/49/1053370349.db2.gz QOGCJURJLCSUBE-PMACEKPBSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)ccc1F ZINC000618805630 1053370852 /nfs/dbraw/zinc/37/08/52/1053370852.db2.gz JAFCXQCDTVGBRQ-KZULUSFZSA-N 1 0 310.372 4.044 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618805988 1053372055 /nfs/dbraw/zinc/37/20/55/1053372055.db2.gz LNESQDKWDDVCKA-YJYMSZOUSA-N 1 0 321.380 4.113 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000618807227 1053372205 /nfs/dbraw/zinc/37/22/05/1053372205.db2.gz WHAXZHIUVHSNIU-RTBURBONSA-N 1 0 308.812 4.476 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000618806144 1053372485 /nfs/dbraw/zinc/37/24/85/1053372485.db2.gz PPOBNGFWRYYIHJ-RBUKOAKNSA-N 1 0 308.812 4.476 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](Oc2ccc(CC[NH+](C)C)cc2)C(C)(C)O1 ZINC001229659834 1053376317 /nfs/dbraw/zinc/37/63/17/1053376317.db2.gz LTSVENSDFAXYOP-ICSRJNTNSA-N 1 0 317.473 4.072 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1C(F)(F)F ZINC000618831262 1053377946 /nfs/dbraw/zinc/37/79/46/1053377946.db2.gz DECDXPOAFUJCPE-KRWDZBQOSA-N 1 0 316.326 4.354 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC001321016570 1053381470 /nfs/dbraw/zinc/38/14/70/1053381470.db2.gz XJCDIVIFRJWSGD-IRXDYDNUSA-N 1 0 300.446 4.078 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000182241689 1053383776 /nfs/dbraw/zinc/38/37/76/1053383776.db2.gz YTYQNYXOJWQSTK-HNNXBMFYSA-N 1 0 309.384 4.178 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Oc1ccccc1C[NH+](C)C ZINC001229702942 1053388358 /nfs/dbraw/zinc/38/83/58/1053388358.db2.gz WSEXDNMKFVENLD-MRXNPFEDSA-N 1 0 311.425 4.453 20 30 DIEDRO CSc1ccccc1C(=O)/C=C/c1cnc2c(C)cccn12 ZINC001321218465 1053401847 /nfs/dbraw/zinc/40/18/47/1053401847.db2.gz QLTZUZGRADMQQU-MDZDMXLPSA-N 1 0 308.406 4.261 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321496220 1053415864 /nfs/dbraw/zinc/41/58/64/1053415864.db2.gz IQUJLAUNIUYREF-UHFFFAOYSA-N 1 0 324.472 4.239 20 30 DIEDRO CC(C)[C@@H](C[NH2+]Cc1cccc(OCC#N)c1)c1ccccc1 ZINC001321540066 1053417626 /nfs/dbraw/zinc/41/76/26/1053417626.db2.gz JZGTYJYLBRMTGG-HXUWFJFHSA-N 1 0 308.425 4.118 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000093498090 1053417695 /nfs/dbraw/zinc/41/76/95/1053417695.db2.gz OGYOFNKAFDUMDG-UHFFFAOYSA-N 1 0 301.459 4.383 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001321624594 1053423651 /nfs/dbraw/zinc/42/36/51/1053423651.db2.gz DUIUWULBMINKQU-HWOWSKLDSA-N 1 0 310.363 4.177 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC001321602908 1053423887 /nfs/dbraw/zinc/42/38/87/1053423887.db2.gz DPBODQKJUHLBND-AWWQNPPOSA-N 1 0 320.411 4.285 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(C(F)F)c2)c1 ZINC001321634075 1053425789 /nfs/dbraw/zinc/42/57/89/1053425789.db2.gz SFWUQWFUABNWIZ-UHFFFAOYSA-N 1 0 303.352 4.479 20 30 DIEDRO C=CCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000619197357 1053453603 /nfs/dbraw/zinc/45/36/03/1053453603.db2.gz HXTQUSGMBGWUPR-UHFFFAOYSA-N 1 0 306.409 4.193 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000093838560 1053457515 /nfs/dbraw/zinc/45/75/15/1053457515.db2.gz KWBOJNYMHBMRFL-AWEZNQCLSA-N 1 0 306.837 4.123 20 30 DIEDRO CC[C@@H]([NH2+]CCCCOc1ccccc1)c1ccc(C#N)cc1 ZINC001322119717 1053461254 /nfs/dbraw/zinc/46/12/54/1053461254.db2.gz KDHSLGKTYCYPJO-HXUWFJFHSA-N 1 0 308.425 4.458 20 30 DIEDRO CCc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182771356 1053507758 /nfs/dbraw/zinc/50/77/58/1053507758.db2.gz RZGDYEYFNWXQHS-UHFFFAOYSA-N 1 0 319.452 4.197 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccccc1CC#N ZINC001230273013 1053509391 /nfs/dbraw/zinc/50/93/91/1053509391.db2.gz TUIWORXDXZQKHC-LAUBAEHRSA-N 1 0 320.436 4.042 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)cc(OC)c1OC ZINC001200267932 1053512178 /nfs/dbraw/zinc/51/21/78/1053512178.db2.gz KXBGCBDRACBXGV-RVKKMQEKSA-N 1 0 317.473 4.347 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)cc(OC)c1OC ZINC001200267929 1053512496 /nfs/dbraw/zinc/51/24/96/1053512496.db2.gz KXBGCBDRACBXGV-IIDMSEBBSA-N 1 0 317.473 4.347 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCC[C@H]2C)cc(OC)c1OC ZINC001200269643 1053514170 /nfs/dbraw/zinc/51/41/70/1053514170.db2.gz ZIQAEUAEGRLOIS-CRAIPNDOSA-N 1 0 317.473 4.348 20 30 DIEDRO COc1cc(C[NH2+]CCC(C)(C)c2ccccc2)ccc1C#N ZINC000619652602 1053525056 /nfs/dbraw/zinc/52/50/56/1053525056.db2.gz YEZOQGKJWIORFW-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1SC ZINC001322626462 1053529384 /nfs/dbraw/zinc/52/93/84/1053529384.db2.gz PMLBTRBJRDILRD-HNNXBMFYSA-N 1 0 311.450 4.271 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000619724371 1053539930 /nfs/dbraw/zinc/53/99/30/1053539930.db2.gz KSTBDIAFHWJTGL-WMLDXEAASA-N 1 0 304.384 4.351 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1cccc(C#N)c1 ZINC000619723817 1053540979 /nfs/dbraw/zinc/54/09/79/1053540979.db2.gz DPYDVXXJIIWNLP-CVAIRZPRSA-N 1 0 305.425 4.330 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000619754904 1053547317 /nfs/dbraw/zinc/54/73/17/1053547317.db2.gz OHWHJJXFKZKSGC-GFCCVEGCSA-N 1 0 312.800 4.093 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1F ZINC000619755043 1053547757 /nfs/dbraw/zinc/54/77/57/1053547757.db2.gz RKVTUYLCJSHLLW-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)cc1Cl ZINC000619746632 1053552190 /nfs/dbraw/zinc/55/21/90/1053552190.db2.gz DKPSQCBEGLFVHQ-MRXNPFEDSA-N 1 0 318.754 4.267 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc3cccnc32)cc1Cl ZINC000619748681 1053553766 /nfs/dbraw/zinc/55/37/66/1053553766.db2.gz LKAPNQULSIVSBD-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc3cnccc32)cc1Cl ZINC000619748336 1053554448 /nfs/dbraw/zinc/55/44/48/1053554448.db2.gz AVBGMWRRBRFSAX-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748308 1053554502 /nfs/dbraw/zinc/55/45/02/1053554502.db2.gz HRJZHEPUXCFIRD-UHFFFAOYSA-N 1 0 312.800 4.066 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(Cl)c1 ZINC000619748332 1053555117 /nfs/dbraw/zinc/55/51/17/1053555117.db2.gz IKNZZQHYFOJOJF-UHFFFAOYSA-N 1 0 321.207 4.163 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)[C@@H]1C[C@H]1c1ccccc1 ZINC000619822962 1053565416 /nfs/dbraw/zinc/56/54/16/1053565416.db2.gz JOQPYMOQTFUUFH-FXLVCCLPSA-N 1 0 302.421 4.327 20 30 DIEDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000619823107 1053567070 /nfs/dbraw/zinc/56/70/70/1053567070.db2.gz ROHCQPAIXKLQCP-UIVXKWKOSA-N 1 0 312.457 4.119 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000183207266 1053605054 /nfs/dbraw/zinc/60/50/54/1053605054.db2.gz KTHHIQPXJNMPGD-XOBRGWDASA-N 1 0 324.399 4.456 20 30 DIEDRO C#CCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001324468584 1053657285 /nfs/dbraw/zinc/65/72/85/1053657285.db2.gz PTKRWFQMQRKOGQ-UHFFFAOYSA-N 1 0 318.760 4.011 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)CCC2CCCCC2)cc1C#N ZINC001200473066 1053687086 /nfs/dbraw/zinc/68/70/86/1053687086.db2.gz YJFVSAOUOPNGKY-OAHLLOKOSA-N 1 0 300.446 4.405 20 30 DIEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000264098227 1053705743 /nfs/dbraw/zinc/70/57/43/1053705743.db2.gz HHOPSDLCMSPECL-IBGZPJMESA-N 1 0 308.425 4.466 20 30 DIEDRO N#CCC[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1 ZINC001325202781 1053706012 /nfs/dbraw/zinc/70/60/12/1053706012.db2.gz IYEUXIYZPJYSHR-GOSISDBHSA-N 1 0 300.352 4.142 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001325239828 1053708567 /nfs/dbraw/zinc/70/85/67/1053708567.db2.gz OMAXTKPKWZGRRD-MDMXATFFSA-N 1 0 319.452 4.006 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(Br)cc1F)c1ccccc1 ZINC000620756904 1053728172 /nfs/dbraw/zinc/72/81/72/1053728172.db2.gz VGVWOFCCWPCPTL-UHFFFAOYSA-N 1 0 320.205 4.391 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC)c(OCCC)c1)c1ccccc1 ZINC000620757860 1053729845 /nfs/dbraw/zinc/72/98/45/1053729845.db2.gz UABAQTHJTWXEHV-UHFFFAOYSA-N 1 0 311.425 4.287 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCC2 ZINC001326103939 1053754056 /nfs/dbraw/zinc/75/40/56/1053754056.db2.gz DRXJLOKAAUPSQO-NRFANRHFSA-N 1 0 302.421 4.214 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(OCc2ccccc2)cc1O ZINC001231469320 1053757365 /nfs/dbraw/zinc/75/73/65/1053757365.db2.gz ZUYKVJZKCNWPKG-UHFFFAOYSA-N 1 0 309.409 4.145 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OCCCOC)cc1)C1CCCCC1 ZINC001231509156 1053774682 /nfs/dbraw/zinc/77/46/82/1053774682.db2.gz YKOMGTIPIQREND-UHFFFAOYSA-N 1 0 317.473 4.423 20 30 DIEDRO COC1(C)CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231576992 1053789014 /nfs/dbraw/zinc/78/90/14/1053789014.db2.gz MJMGVFGGUQDSQT-UHFFFAOYSA-N 1 0 319.448 4.087 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)c2ccccc2OC)c1 ZINC001231623908 1053805505 /nfs/dbraw/zinc/80/55/05/1053805505.db2.gz AISRNDBEGOIRFC-MRXNPFEDSA-N 1 0 311.425 4.453 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)c1 ZINC001231624161 1053805703 /nfs/dbraw/zinc/80/57/03/1053805703.db2.gz FTQFBQCCBVFBLM-HXUWFJFHSA-N 1 0 308.425 4.292 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)c1 ZINC001231624900 1053806326 /nfs/dbraw/zinc/80/63/26/1053806326.db2.gz GVPVDQXZDFPOAU-INIZCTEOSA-N 1 0 311.425 4.453 20 30 DIEDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(C#N)cc1OC ZINC001231620410 1053807181 /nfs/dbraw/zinc/80/71/81/1053807181.db2.gz AITYFRSKFLGLRZ-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC001231623751 1053807291 /nfs/dbraw/zinc/80/72/91/1053807291.db2.gz UIDLYLSRMSIKHC-SFHVURJKSA-N 1 0 308.425 4.026 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)Cc1cccc2ccccc21 ZINC001231618720 1053807459 /nfs/dbraw/zinc/80/74/59/1053807459.db2.gz SVGHBRCXTNEMMU-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC(Oc3ccccc3C)CC2)c1 ZINC001231656522 1053823086 /nfs/dbraw/zinc/82/30/86/1053823086.db2.gz NLMLZPJBXHUYNI-UHFFFAOYSA-N 1 0 305.421 4.020 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC(Sc3ccccc3)CC2)c1 ZINC001231661909 1053826212 /nfs/dbraw/zinc/82/62/12/1053826212.db2.gz ZXYNEIQKNGYKGC-UHFFFAOYSA-N 1 0 307.462 4.425 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Cl)c(O)c1)[C@@H]1CCc2ccccc21 ZINC001231734046 1053844363 /nfs/dbraw/zinc/84/43/63/1053844363.db2.gz OVJRSQBUFHVMGH-GOSISDBHSA-N 1 0 311.812 4.168 20 30 DIEDRO C=CCc1cc(C[N@H+](C)[C@@H](C)c2cccs2)cc(OC)c1O ZINC000157817268 1053872158 /nfs/dbraw/zinc/87/21/58/1053872158.db2.gz GVHSHWARCFCUGZ-ZDUSSCGKSA-N 1 0 317.454 4.384 20 30 DIEDRO CCCC[NH+](CCCC)Cc1ccc(N(C)CCC#N)cc1 ZINC001231819726 1053877573 /nfs/dbraw/zinc/87/75/73/1053877573.db2.gz GHQFXLRZTCZVSQ-UHFFFAOYSA-N 1 0 301.478 4.439 20 30 DIEDRO N#CCC[N@H+](Cc1cccc2c[nH]nc21)C1CCCCCCC1 ZINC001231970789 1053926653 /nfs/dbraw/zinc/92/66/53/1053926653.db2.gz FILBGGSTRHLRMM-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO CCCC[N@H+](CC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000158971271 1053928097 /nfs/dbraw/zinc/92/80/97/1053928097.db2.gz PTZNGQDKZOLXST-UHFFFAOYSA-N 1 0 310.445 4.086 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cn(C)nc1C(F)(F)F ZINC001232086860 1053958431 /nfs/dbraw/zinc/95/84/31/1053958431.db2.gz JLUPJKNWKGJYJC-UHFFFAOYSA-N 1 0 305.388 4.231 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1Cl ZINC000621377631 1053961400 /nfs/dbraw/zinc/96/14/00/1053961400.db2.gz CLOJBRJHFHZGBJ-GFCCVEGCSA-N 1 0 301.764 4.040 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc2cc(Br)ccc2n1 ZINC001232105964 1053965697 /nfs/dbraw/zinc/96/56/97/1053965697.db2.gz MBVBEARXAWCQOG-UHFFFAOYSA-N 1 0 317.230 4.171 20 30 DIEDRO C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(C#N)c(Cl)c1 ZINC001232120115 1053967140 /nfs/dbraw/zinc/96/71/40/1053967140.db2.gz NCNLZTTWQYIKJA-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(NC(C)=O)cc1C ZINC001232187671 1053982059 /nfs/dbraw/zinc/98/20/59/1053982059.db2.gz PYWFKAXOVXGVOV-UHFFFAOYSA-N 1 0 308.425 4.142 20 30 DIEDRO C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1cc2cnccc2o1 ZINC001329754752 1054006831 /nfs/dbraw/zinc/00/68/31/1054006831.db2.gz OJCFABIVGNKPCZ-FNMUINPESA-N 1 0 317.392 4.102 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(O)c2ncccc12 ZINC001232276648 1054010850 /nfs/dbraw/zinc/01/08/50/1054010850.db2.gz CCAJWENPMVJOOO-UHFFFAOYSA-N 1 0 304.393 4.129 20 30 DIEDRO C=CCO[C@@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC001330432710 1054035887 /nfs/dbraw/zinc/03/58/87/1054035887.db2.gz RHVZCCMNZWRQEK-HXUWFJFHSA-N 1 0 307.437 4.095 20 30 DIEDRO Cc1cccc(F)c1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001232483193 1054057908 /nfs/dbraw/zinc/05/79/08/1054057908.db2.gz CYAZEIDXNRAJMO-QGZVFWFLSA-N 1 0 324.399 4.049 20 30 DIEDRO Clc1ccccc1NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001355197205 1054077961 /nfs/dbraw/zinc/07/79/61/1054077961.db2.gz SWIRPLAIICWYNF-UHFFFAOYSA-N 1 0 324.855 4.268 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2cnn(C(C)C)c21)c1cccc(C#N)c1 ZINC001331984952 1054103656 /nfs/dbraw/zinc/10/36/56/1054103656.db2.gz TYAGBMFGSCKHLO-OALUTQOASA-N 1 0 322.456 4.454 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cnn(C(C)C)c21)c1cccc(C#N)c1 ZINC001331984953 1054104913 /nfs/dbraw/zinc/10/49/13/1054104913.db2.gz TYAGBMFGSCKHLO-RBUKOAKNSA-N 1 0 322.456 4.454 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(n3ccc4ccccc43)CC2)s1 ZINC001232846892 1054129677 /nfs/dbraw/zinc/12/96/77/1054129677.db2.gz MFYBDNODCZENSX-UHFFFAOYSA-N 1 0 321.449 4.412 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)s1 ZINC001232844274 1054129711 /nfs/dbraw/zinc/12/97/11/1054129711.db2.gz UYMRJQYARRLPPP-GFCCVEGCSA-N 1 0 302.830 4.263 20 30 DIEDRO C[C@@H]1OC2(CC[NH+](Cc3ccc(C#N)s3)CC2)c2ccccc21 ZINC001232845228 1054129811 /nfs/dbraw/zinc/12/98/11/1054129811.db2.gz PQUUPOCWVHLASR-AWEZNQCLSA-N 1 0 324.449 4.202 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)s1 ZINC001232844275 1054129877 /nfs/dbraw/zinc/12/98/77/1054129877.db2.gz UYMRJQYARRLPPP-LBPRGKRZSA-N 1 0 302.830 4.263 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]c2cc(Br)ncc12)C(C)(C)C ZINC001232863881 1054132161 /nfs/dbraw/zinc/13/21/61/1054132161.db2.gz WLLNSCVRYLRTDL-UHFFFAOYSA-N 1 0 322.250 4.112 20 30 DIEDRO C=CCC(C)(C)c1nnc(-c2ccc(C[NH+](CC)CC)o2)o1 ZINC001333111541 1054142094 /nfs/dbraw/zinc/14/20/94/1054142094.db2.gz PDHOFYDAWXWSPW-UHFFFAOYSA-N 1 0 303.406 4.025 20 30 DIEDRO N#CCCN(Cc1cncc(-c2ccccc2)c1)C1CCCC1 ZINC001232900498 1054144189 /nfs/dbraw/zinc/14/41/89/1054144189.db2.gz BYABZRXMWPDPKO-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000848554171 1054145698 /nfs/dbraw/zinc/14/56/98/1054145698.db2.gz QSJQXXZOKJVTKK-UZLBHIALSA-N 1 0 322.452 4.008 20 30 DIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cncc(C#N)c1 ZINC001333179232 1054145808 /nfs/dbraw/zinc/14/58/08/1054145808.db2.gz SVDYBDODPHCVFX-IBGZPJMESA-N 1 0 323.440 4.229 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4nc(Cl)ccc43)CCC2)cc1 ZINC000848566618 1054153096 /nfs/dbraw/zinc/15/30/96/1054153096.db2.gz CIOUUKBSRJOOJN-KRWDZBQOSA-N 1 0 323.827 4.263 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4nc(Cl)ccc43)CCC2)cc1 ZINC000848566619 1054153195 /nfs/dbraw/zinc/15/31/95/1054153195.db2.gz CIOUUKBSRJOOJN-QGZVFWFLSA-N 1 0 323.827 4.263 20 30 DIEDRO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cnc1Cl ZINC000848568304 1054154812 /nfs/dbraw/zinc/15/48/12/1054154812.db2.gz DWEKNWGGJDLWAK-UHFFFAOYSA-N 1 0 311.816 4.084 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001233080938 1054183740 /nfs/dbraw/zinc/18/37/40/1054183740.db2.gz HGGRFPMNVHMMEN-UHFFFAOYSA-N 1 0 319.452 4.099 20 30 DIEDRO N#CC1CC[NH+](Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC001233207101 1054201325 /nfs/dbraw/zinc/20/13/25/1054201325.db2.gz HTFGROMKKYGDNX-UHFFFAOYSA-N 1 0 310.372 4.354 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc(Cl)o3)CC2)cc1 ZINC001233316425 1054229377 /nfs/dbraw/zinc/22/93/77/1054229377.db2.gz HFDHMWIBNZBRGS-UHFFFAOYSA-N 1 0 314.816 4.259 20 30 DIEDRO N#C[C@@H]1CCC[N@H+](Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001233331386 1054234714 /nfs/dbraw/zinc/23/47/14/1054234714.db2.gz UCIPNPNCSHLAQL-HXUWFJFHSA-N 1 0 304.437 4.403 20 30 DIEDRO CC[NH+](CC)C[C@@H](C)Oc1cccc(-c2ccc(C#N)cc2)c1 ZINC001233510729 1054286315 /nfs/dbraw/zinc/28/63/15/1054286315.db2.gz GBEBCEDTBCZKPI-MRXNPFEDSA-N 1 0 308.425 4.334 20 30 DIEDRO CC[N@@H+]1CCC[C@H](Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233512686 1054286509 /nfs/dbraw/zinc/28/65/09/1054286509.db2.gz PXETWZHJKXURNP-FQEVSTJZSA-N 1 0 306.409 4.088 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1c(Cl)cccc1C#N)c1ccccc1 ZINC001233547290 1054292794 /nfs/dbraw/zinc/29/27/94/1054292794.db2.gz HSPXJZFRWOLHPA-QGZVFWFLSA-N 1 0 314.816 4.283 20 30 DIEDRO C=C(Br)CNC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000849065503 1054370718 /nfs/dbraw/zinc/37/07/18/1054370718.db2.gz KFUHZGIRCYLOSK-SNVBAGLBSA-N 1 0 310.239 4.045 20 30 DIEDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC001233860686 1054376158 /nfs/dbraw/zinc/37/61/58/1054376158.db2.gz GJMSHCRISPMHSH-XUTJKUGGSA-N 1 0 320.436 4.477 20 30 DIEDRO CC[NH+](CC)C[C@H](C)Oc1ccc(-c2cccc(C#N)c2)cc1 ZINC001233866653 1054377135 /nfs/dbraw/zinc/37/71/35/1054377135.db2.gz PFOGENDSPLSIPU-INIZCTEOSA-N 1 0 308.425 4.334 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c1 ZINC000622855408 1054436195 /nfs/dbraw/zinc/43/61/95/1054436195.db2.gz VOYCRLZIVBTPFI-UHFFFAOYSA-N 1 0 324.399 4.204 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC001343273529 1054440989 /nfs/dbraw/zinc/44/09/89/1054440989.db2.gz QOUYGEYAQNZTNT-FPOVZHCZSA-N 1 0 320.436 4.189 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001443126631 1054441261 /nfs/dbraw/zinc/44/12/61/1054441261.db2.gz WCJUUISRAVOUND-QHSLDKKCSA-N 1 0 320.521 4.380 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000185180456 1054441271 /nfs/dbraw/zinc/44/12/71/1054441271.db2.gz FOXABGZSCQCSRM-ZDUSSCGKSA-N 1 0 316.351 4.205 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000185180472 1054441451 /nfs/dbraw/zinc/44/14/51/1054441451.db2.gz FOXABGZSCQCSRM-CYBMUJFWSA-N 1 0 316.351 4.205 20 30 DIEDRO C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccc(F)cc1 ZINC001343273370 1054441947 /nfs/dbraw/zinc/44/19/47/1054441947.db2.gz PLOCMCOTBBIZQO-VMEOHVCESA-N 1 0 308.400 4.143 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001443333926 1054446414 /nfs/dbraw/zinc/44/64/14/1054446414.db2.gz IFOPTRSISCVQJD-MJGOQNOKSA-N 1 0 322.537 4.316 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)c2sccc21 ZINC001344430652 1054468687 /nfs/dbraw/zinc/46/86/87/1054468687.db2.gz YFSVYOAYSQFWRU-CXAGYDPISA-N 1 0 312.438 4.379 20 30 DIEDRO Fc1ccc(C#CCN2CCC(=Cc3ccccc3F)CC2)cc1 ZINC001473276757 1054477022 /nfs/dbraw/zinc/47/70/22/1054477022.db2.gz MDNLPZUEVTVRBM-UHFFFAOYSA-N 1 0 323.386 4.496 20 30 DIEDRO Cc1cccc2c(NCc3ccc(OCC#N)cc3)c(C)c[nH+]c12 ZINC000185294096 1054512064 /nfs/dbraw/zinc/51/20/64/1054512064.db2.gz SIJAMPOCVWMRQN-UHFFFAOYSA-N 1 0 317.392 4.366 20 30 DIEDRO CCCCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000072713402 1054518853 /nfs/dbraw/zinc/51/88/53/1054518853.db2.gz KPOIUWHJFKGRKA-UHFFFAOYSA-N 1 0 310.445 4.134 20 30 DIEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC=CCC1 ZINC001473302519 1054528675 /nfs/dbraw/zinc/52/86/75/1054528675.db2.gz RLYAAWRCYSFTQD-MRXNPFEDSA-N 1 0 307.359 4.345 20 30 DIEDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001346504738 1054539991 /nfs/dbraw/zinc/53/99/91/1054539991.db2.gz YLAYSMRQTJTVQJ-SJORKVTESA-N 1 0 302.487 4.204 20 30 DIEDRO CC(C)c1c(C#N)cccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001234857750 1054604221 /nfs/dbraw/zinc/60/42/21/1054604221.db2.gz YXTBHNAMYFQPNQ-PIIMJCKOSA-N 1 0 312.457 4.464 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Oc2cccnc2)cc1 ZINC001235122061 1054662151 /nfs/dbraw/zinc/66/21/51/1054662151.db2.gz PSSWPEBAMFCKHY-NNZMDNLPSA-N 1 0 319.408 4.140 20 30 DIEDRO CCCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC001450808036 1054662231 /nfs/dbraw/zinc/66/22/31/1054662231.db2.gz XXULRAPCOVVECB-PKOBYXMFSA-N 1 0 316.489 4.126 20 30 DIEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3ccc(CC#N)cc3)C2)cc1 ZINC001473433977 1054714600 /nfs/dbraw/zinc/71/46/00/1054714600.db2.gz ZSENZXNMVKSQDG-LAUBAEHRSA-N 1 0 304.437 4.439 20 30 DIEDRO C=CC[C@H]1[N@H+](C[C@@H]2Cc3cc(OC)ccc3O2)CCCC1(C)C ZINC001473432741 1054720746 /nfs/dbraw/zinc/72/07/46/1054720746.db2.gz OUJQPLXPYNEFMM-PKOBYXMFSA-N 1 0 315.457 4.065 20 30 DIEDRO C=CCCCCC[N@@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC001473432877 1054721683 /nfs/dbraw/zinc/72/16/83/1054721683.db2.gz YDMDYCAVSOGZAV-ROUUACIJSA-N 1 0 301.430 4.112 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)CCCC1(C)C ZINC001473433053 1054722111 /nfs/dbraw/zinc/72/21/11/1054722111.db2.gz QUSGVMMBJQIWCI-MSOLQXFVSA-N 1 0 321.892 4.310 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1 ZINC000180038996 1054729255 /nfs/dbraw/zinc/72/92/55/1054729255.db2.gz OLPOKSPBZUERHC-IBGZPJMESA-N 1 0 306.409 4.364 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001235515585 1054733377 /nfs/dbraw/zinc/73/33/77/1054733377.db2.gz PSEJCZPVEPTYDQ-UHFFFAOYSA-N 1 0 314.432 4.313 20 30 DIEDRO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235522814 1054736322 /nfs/dbraw/zinc/73/63/22/1054736322.db2.gz JSPXOBKDSWTYIC-FQEVSTJZSA-N 1 0 320.436 4.105 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC001235523464 1054736386 /nfs/dbraw/zinc/73/63/86/1054736386.db2.gz RYKSOVJRTDXLGL-UHFFFAOYSA-N 1 0 308.400 4.271 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC001235527055 1054736589 /nfs/dbraw/zinc/73/65/89/1054736589.db2.gz HBPQSYBJRXSADG-UHFFFAOYSA-N 1 0 322.427 4.346 20 30 DIEDRO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccccc1CC#N ZINC001235528193 1054737082 /nfs/dbraw/zinc/73/70/82/1054737082.db2.gz NSKRORXMECUEFL-FQEVSTJZSA-N 1 0 320.436 4.236 20 30 DIEDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC001473544002 1054737633 /nfs/dbraw/zinc/73/76/33/1054737633.db2.gz KBMBMKPKZFBJHE-NHCUHLMSSA-N 1 0 320.436 4.272 20 30 DIEDRO Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3CC#N)C2)cc1 ZINC001235522661 1054737728 /nfs/dbraw/zinc/73/77/28/1054737728.db2.gz HYYFSCRGMXTLAT-OAQYLSRUSA-N 1 0 320.436 4.105 20 30 DIEDRO N#CCc1ccccc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001235523740 1054737753 /nfs/dbraw/zinc/73/77/53/1054737753.db2.gz TXNHOKWDNLBWLO-LJQANCHMSA-N 1 0 308.450 4.043 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001235523711 1054738623 /nfs/dbraw/zinc/73/86/23/1054738623.db2.gz TUYPAIJCYLPWQC-QGZVFWFLSA-N 1 0 310.828 4.396 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001349399046 1054748430 /nfs/dbraw/zinc/74/84/30/1054748430.db2.gz VULWHHGGSDETHL-AFVILVPDSA-N 1 0 302.421 4.004 20 30 DIEDRO C#CC[N@@H+](CC[C@H](O)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001473826948 1054760039 /nfs/dbraw/zinc/76/00/39/1054760039.db2.gz XSAYFZGHAPXVCU-VXKWHMMOSA-N 1 0 319.448 4.123 20 30 DIEDRO CCCCCCCC[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC001473826602 1054760436 /nfs/dbraw/zinc/76/04/36/1054760436.db2.gz SSPVIZKEVAYEDJ-UHFFFAOYSA-N 1 0 303.446 4.397 20 30 DIEDRO C[N@H+](Cc1c(F)cc(C#N)cc1F)C(C)(C)Cc1ccccc1 ZINC001235665717 1054765129 /nfs/dbraw/zinc/76/51/29/1054765129.db2.gz WWHAPVNAEKRDEH-UHFFFAOYSA-N 1 0 314.379 4.290 20 30 DIEDRO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c(F)c1 ZINC001235665942 1054765619 /nfs/dbraw/zinc/76/56/19/1054765619.db2.gz ZOZYSEIXXOYOGU-GOSISDBHSA-N 1 0 304.384 4.381 20 30 DIEDRO C=C(C)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180610428 1054770118 /nfs/dbraw/zinc/77/01/18/1054770118.db2.gz XIIIIIJTMBNFIS-CQSZACIVSA-N 1 0 312.388 4.305 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(C)(C)C)cc1O ZINC001235685171 1054777535 /nfs/dbraw/zinc/77/75/35/1054777535.db2.gz MCUMAALXSJMHQN-UHFFFAOYSA-N 1 0 308.425 4.193 20 30 DIEDRO CCCCCCCOc1ccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001235841282 1054819866 /nfs/dbraw/zinc/81/98/66/1054819866.db2.gz CWNPMGBCPZUAMQ-IBGZPJMESA-N 1 0 318.505 4.077 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1ccc(C(=O)OCC)cn1 ZINC001235869902 1054828700 /nfs/dbraw/zinc/82/87/00/1054828700.db2.gz OWYQDIHKDQRSOP-UHFFFAOYSA-N 1 0 306.450 4.051 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(F)c(C#N)c2)c1 ZINC001235897610 1054837844 /nfs/dbraw/zinc/83/78/44/1054837844.db2.gz DSFHWWMQAHGBFS-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000624014026 1054856803 /nfs/dbraw/zinc/85/68/03/1054856803.db2.gz PHTCLHYNTSJJIN-LLVKDONJSA-N 1 0 305.315 4.088 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000624014027 1054858364 /nfs/dbraw/zinc/85/83/64/1054858364.db2.gz PHTCLHYNTSJJIN-NSHDSACASA-N 1 0 305.315 4.088 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000624037726 1054862491 /nfs/dbraw/zinc/86/24/91/1054862491.db2.gz FTEXQUULMRDDIM-HNNXBMFYSA-N 1 0 302.462 4.212 20 30 DIEDRO Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2F)ccc1C#N ZINC001236004640 1054891923 /nfs/dbraw/zinc/89/19/23/1054891923.db2.gz LSMZDPQUTDQQPI-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO N#CCSCCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000181500953 1054916522 /nfs/dbraw/zinc/91/65/22/1054916522.db2.gz OKEHYASWRVRTRN-QGZVFWFLSA-N 1 0 306.450 4.293 20 30 DIEDRO N#CCCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181594225 1054925122 /nfs/dbraw/zinc/92/51/22/1054925122.db2.gz QDSXCCVLBPJGFF-SFHVURJKSA-N 1 0 300.352 4.142 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000181862745 1054943667 /nfs/dbraw/zinc/94/36/67/1054943667.db2.gz HEKROJGQSICWIW-QGZVFWFLSA-N 1 0 322.427 4.128 20 30 DIEDRO Cc1cc(C#N)c(-c2ccc(C[NH+]3CCCCC3)c(F)c2)nc1C ZINC001236230887 1055021757 /nfs/dbraw/zinc/02/17/57/1055021757.db2.gz FUWQFHDGJCSVJV-UHFFFAOYSA-N 1 0 323.415 4.362 20 30 DIEDRO Cc1ccnc(C#N)c1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236257361 1055039641 /nfs/dbraw/zinc/03/96/41/1055039641.db2.gz CCDDXEGTMQNIQC-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cccc(/C=N/O)c2)c1 ZINC001236326386 1055058720 /nfs/dbraw/zinc/05/87/20/1055058720.db2.gz UOWDBGPHAKKQIL-UDWIEESQSA-N 1 0 300.377 4.143 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)C(c1ccccc1)c1ccccc1 ZINC000183997714 1055064540 /nfs/dbraw/zinc/06/45/40/1055064540.db2.gz MIXNPPUTEXOSDS-KRWDZBQOSA-N 1 0 324.493 4.443 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccccc2C=NO)c1 ZINC001236341468 1055067181 /nfs/dbraw/zinc/06/71/81/1055067181.db2.gz ZNIRMHSCNLRRRQ-UHFFFAOYSA-N 1 0 300.377 4.143 20 30 DIEDRO CCCCCCC/C=C/CN1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236354554 1055069950 /nfs/dbraw/zinc/06/99/50/1055069950.db2.gz KIYZRZCJRGQDDN-MATWNZDUSA-N 1 0 306.416 4.115 20 30 DIEDRO N#CCc1cc(C(F)(F)F)ccc1-c1cccc2c1CC[NH2+]C2 ZINC001236353636 1055070619 /nfs/dbraw/zinc/07/06/19/1055070619.db2.gz KABXBUNCYSRIIJ-UHFFFAOYSA-N 1 0 316.326 4.084 20 30 DIEDRO C=CCCCCCCCCN1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001236363659 1055075028 /nfs/dbraw/zinc/07/50/28/1055075028.db2.gz VPQRRKPGPVRTPS-GJZGRUSLSA-N 1 0 306.416 4.115 20 30 DIEDRO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)C#N)cc1 ZINC000185574582 1055093676 /nfs/dbraw/zinc/09/36/76/1055093676.db2.gz VEPNCZZEBXKNDG-IRXDYDNUSA-N 1 0 300.446 4.102 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc3[nH]cc(C#N)c3c2)cc1 ZINC001236435425 1055111914 /nfs/dbraw/zinc/11/19/14/1055111914.db2.gz ATKPYGMJMVKKAE-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(F)cc2OCC#N)cc1 ZINC001236436233 1055112277 /nfs/dbraw/zinc/11/22/77/1055112277.db2.gz IFQJPLSMZYMHSD-UHFFFAOYSA-N 1 0 312.388 4.141 20 30 DIEDRO COc1c(C#N)c(F)ccc1-c1ccc(C[NH2+]CC(C)C)cc1 ZINC001236446437 1055118089 /nfs/dbraw/zinc/11/80/89/1055118089.db2.gz CRRKIONVCORGPD-UHFFFAOYSA-N 1 0 312.388 4.119 20 30 DIEDRO CC[NH+](CC)Cc1cc(C)ccc1-c1cc(C#N)ccc1OC ZINC001236544997 1055172931 /nfs/dbraw/zinc/17/29/31/1055172931.db2.gz JRGUGAOCVUPXHB-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cc(C#N)ccc2OC)ccc1F ZINC001236545785 1055174157 /nfs/dbraw/zinc/17/41/57/1055174157.db2.gz PHLWXTWEIGARHN-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO COc1ccc(C#N)cc1-c1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001236547039 1055174428 /nfs/dbraw/zinc/17/44/28/1055174428.db2.gz SPWNCLUTMYYYOK-UHFFFAOYSA-N 1 0 304.393 4.235 20 30 DIEDRO COc1ccc(C#N)cc1-c1ccc(F)c(C[NH+]2CCCCC2)c1 ZINC001236545561 1055174670 /nfs/dbraw/zinc/17/46/70/1055174670.db2.gz KXYVORNQVZNYHT-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000764465213 1055187918 /nfs/dbraw/zinc/18/79/18/1055187918.db2.gz WERGWDQULMJYET-MSOLQXFVSA-N 1 0 308.510 4.118 20 30 DIEDRO COc1ccc2sc(C[N@@H+]3CCC[C@H](CC#N)C3)cc2c1 ZINC001236661091 1055216981 /nfs/dbraw/zinc/21/69/81/1055216981.db2.gz GTHOKZUPVMAAJO-CYBMUJFWSA-N 1 0 300.427 4.036 20 30 DIEDRO COc1ccc2sc(C[N@@H+]3CCC[C@@H](CC#N)C3)cc2c1 ZINC001236661096 1055217039 /nfs/dbraw/zinc/21/70/39/1055217039.db2.gz GTHOKZUPVMAAJO-ZDUSSCGKSA-N 1 0 300.427 4.036 20 30 DIEDRO COc1ccc2sc(C[N@@H+]3CCC[C@@H](C#N)CC3)cc2c1 ZINC001236662673 1055217419 /nfs/dbraw/zinc/21/74/19/1055217419.db2.gz PEAGBWQODDICDC-CYBMUJFWSA-N 1 0 300.427 4.036 20 30 DIEDRO COc1ccc2sc(C[N@@H+]3CCC[C@H](C#N)CC3)cc2c1 ZINC001236662676 1055217598 /nfs/dbraw/zinc/21/75/98/1055217598.db2.gz PEAGBWQODDICDC-ZDUSSCGKSA-N 1 0 300.427 4.036 20 30 DIEDRO COc1cc2ccccc2cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001236678585 1055226386 /nfs/dbraw/zinc/22/63/86/1055226386.db2.gz CZXSHGQBTUTQDS-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO N#CCCN(Cc1ccc(OC(F)F)cc1F)C1CCCC1 ZINC001236720450 1055240019 /nfs/dbraw/zinc/24/00/19/1055240019.db2.gz KPWUGJVFYMSMCE-UHFFFAOYSA-N 1 0 312.335 4.085 20 30 DIEDRO CCCN(CCC#N)Cc1cc(OCc2ccccc2)ccc1O ZINC001236784978 1055258413 /nfs/dbraw/zinc/25/84/13/1055258413.db2.gz JMGWGXRMDPUXBT-UHFFFAOYSA-N 1 0 324.424 4.097 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(O)c1 ZINC001236793600 1055260388 /nfs/dbraw/zinc/26/03/88/1055260388.db2.gz ZINMQBBRIWQHAW-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c(O)c1 ZINC001236794443 1055261582 /nfs/dbraw/zinc/26/15/82/1055261582.db2.gz MXQMAUXVFZHFGF-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1Br ZINC001236861664 1055293386 /nfs/dbraw/zinc/29/33/86/1055293386.db2.gz BCEOOBLRASTIAD-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1Br ZINC001236860324 1055295232 /nfs/dbraw/zinc/29/52/32/1055295232.db2.gz HCOWJUBYTPJORF-BBRMVZONSA-N 1 0 319.246 4.085 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)c(Br)c1)CC1CCCCC1 ZINC001236860953 1055295644 /nfs/dbraw/zinc/29/56/44/1055295644.db2.gz JABACMKVAZTMDK-UHFFFAOYSA-N 1 0 321.262 4.333 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1OC(F)F ZINC000765011728 1055312929 /nfs/dbraw/zinc/31/29/29/1055312929.db2.gz DUXDTEGDOPEJDN-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO Cc1cccc(-c2ccc(CN3CC[C@@](C)(C#N)C3)cn2)c1C ZINC001236986318 1055325154 /nfs/dbraw/zinc/32/51/54/1055325154.db2.gz UQEKWBLPJGHWIZ-FQEVSTJZSA-N 1 0 305.425 4.101 20 30 DIEDRO Cc1cccc(-c2ccc(C[NH+]3CCC(CC#N)CC3)cn2)c1C ZINC001236991251 1055329556 /nfs/dbraw/zinc/32/95/56/1055329556.db2.gz AEKZSWRKDMQEKI-UHFFFAOYSA-N 1 0 319.452 4.491 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236991011 1055330015 /nfs/dbraw/zinc/33/00/15/1055330015.db2.gz SKXLFIKLXCBUNO-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO SC1CC[NH+](Cc2ccc(-c3ccccc3Cl)nc2)CC1 ZINC001237018127 1055341025 /nfs/dbraw/zinc/34/10/25/1055341025.db2.gz PJCLHBLKYJBAMP-UHFFFAOYSA-N 1 0 318.873 4.296 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)nc2)CC1 ZINC001237019185 1055342272 /nfs/dbraw/zinc/34/22/72/1055342272.db2.gz ILXSGPIMRRGYBY-UHFFFAOYSA-N 1 0 310.828 4.247 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000765348328 1055370238 /nfs/dbraw/zinc/37/02/38/1055370238.db2.gz JUKMLLIUGITXLX-DOTOQJQBSA-N 1 0 316.445 4.429 20 30 DIEDRO CCOCc1ccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC000921524923 1055408088 /nfs/dbraw/zinc/40/80/88/1055408088.db2.gz LGQJUAJDPKYRHG-UHFFFAOYSA-N 1 0 308.425 4.001 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc2nccc(Cl)c2c1 ZINC001237274813 1055412748 /nfs/dbraw/zinc/41/27/48/1055412748.db2.gz LIIGVFHKQUNTAS-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO COc1ccc(-c2ccccc2)c(C[NH+]2CCC(S)CC2)c1 ZINC001237307925 1055423596 /nfs/dbraw/zinc/42/35/96/1055423596.db2.gz XHLDDRXXGXNPJY-UHFFFAOYSA-N 1 0 313.466 4.256 20 30 DIEDRO COc1ccc(-c2ccccc2)c(CN2CCC[C@@H](C#N)C2)c1 ZINC001237306878 1055425024 /nfs/dbraw/zinc/42/50/24/1055425024.db2.gz LMMRDKUUUGYEPB-INIZCTEOSA-N 1 0 306.409 4.098 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC3(CCNc4ccccc43)CC2)cc1 ZINC001237320598 1055427151 /nfs/dbraw/zinc/42/71/51/1055427151.db2.gz LBDCBFHWNKQMEF-UHFFFAOYSA-N 1 0 316.448 4.017 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cnc(Cl)c(F)c1 ZINC001237410831 1055450922 /nfs/dbraw/zinc/45/09/22/1055450922.db2.gz RSABEFXNELPFEM-UHFFFAOYSA-N 1 0 304.796 4.452 20 30 DIEDRO Cn1cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001237469872 1055457713 /nfs/dbraw/zinc/45/77/13/1055457713.db2.gz DUXBSPPCZXZSPF-SJORKVTESA-N 1 0 307.441 4.062 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c2cc(C#N)ccc21 ZINC001237470383 1055459533 /nfs/dbraw/zinc/45/95/33/1055459533.db2.gz IRPHQLHABAWASL-HXUWFJFHSA-N 1 0 315.420 4.387 20 30 DIEDRO COc1c(C)cccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001237502100 1055462385 /nfs/dbraw/zinc/46/23/85/1055462385.db2.gz YKGQKPJGCHRCFB-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO COc1c(C)cccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001237507845 1055464573 /nfs/dbraw/zinc/46/45/73/1055464573.db2.gz OEGFYMJTVMGLNK-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237528621 1055467128 /nfs/dbraw/zinc/46/71/28/1055467128.db2.gz CYRWOHHNDQCTKW-GOSISDBHSA-N 1 0 300.352 4.420 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(F)cc1F ZINC001237526318 1055467342 /nfs/dbraw/zinc/46/73/42/1055467342.db2.gz NPCOIXMJWFDKAJ-OAHLLOKOSA-N 1 0 312.363 4.216 20 30 DIEDRO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(C#N)c(F)cc1F ZINC001237525951 1055467529 /nfs/dbraw/zinc/46/75/29/1055467529.db2.gz XGVWGABIQMVQKD-UHFFFAOYSA-N 1 0 314.379 4.495 20 30 DIEDRO C=CC[N@@H+](Cc1c(F)c(OC)ccc1OC)C1CCCCC1 ZINC001237576965 1055476404 /nfs/dbraw/zinc/47/64/04/1055476404.db2.gz PJQCHVXMPWPOLD-UHFFFAOYSA-N 1 0 307.409 4.164 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@H]2CC)ccc1OC ZINC001620860674 1055488261 /nfs/dbraw/zinc/48/82/61/1055488261.db2.gz RSRYQCSMUKCDDF-SJORKVTESA-N 1 0 303.446 4.318 20 30 DIEDRO CCC1(C[NH2+]Cc2cc(C#N)ccc2Br)CCCC1 ZINC001620860814 1055488341 /nfs/dbraw/zinc/48/83/41/1055488341.db2.gz XKEXZDFSUZRXQV-UHFFFAOYSA-N 1 0 321.262 4.381 20 30 DIEDRO C#CC1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237649300 1055492824 /nfs/dbraw/zinc/49/28/24/1055492824.db2.gz JZDCAVNWWGHBKJ-UHFFFAOYSA-N 1 0 309.384 4.044 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc2nccnc2c1)c1ccccc1 ZINC001620868453 1055495503 /nfs/dbraw/zinc/49/55/03/1055495503.db2.gz CVYYBQKAKKAFHK-GOSISDBHSA-N 1 0 303.409 4.427 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237663930 1055496705 /nfs/dbraw/zinc/49/67/05/1055496705.db2.gz ADHGQBBAOONKRF-IRTIRVBGSA-N 1 0 318.420 4.326 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1Cl ZINC001620879212 1055507393 /nfs/dbraw/zinc/50/73/93/1055507393.db2.gz ODWGZKGDRUDANA-MRXNPFEDSA-N 1 0 323.864 4.341 20 30 DIEDRO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1OC(C)C ZINC001237730180 1055515694 /nfs/dbraw/zinc/51/56/94/1055515694.db2.gz GWPJWUQNPTUTEA-UHFFFAOYSA-N 1 0 308.425 4.286 20 30 DIEDRO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237753112 1055520928 /nfs/dbraw/zinc/52/09/28/1055520928.db2.gz IYBIRYMKJPTEPF-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001237753028 1055522574 /nfs/dbraw/zinc/52/25/74/1055522574.db2.gz CIRGLTHRIGVCKQ-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(Cl)cc(C#N)c2)cc1 ZINC001237751331 1055523134 /nfs/dbraw/zinc/52/31/34/1055523134.db2.gz IOUVWQHIWMAYTF-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237751892 1055523203 /nfs/dbraw/zinc/52/32/03/1055523203.db2.gz AEMFIDGPWGWODK-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001237751857 1055523563 /nfs/dbraw/zinc/52/35/63/1055523563.db2.gz QEAJZKRQZDWLJU-HXUWFJFHSA-N 1 0 320.823 4.334 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(Cl)c2)cc1 ZINC000765625956 1055524853 /nfs/dbraw/zinc/52/48/53/1055524853.db2.gz LUMHKGRWVKQIMF-CYBMUJFWSA-N 1 0 317.791 4.342 20 30 DIEDRO C=CCCn1cc(C[NH2+]C(C)(C)CC2CCCCCC2)nn1 ZINC001620904009 1055529430 /nfs/dbraw/zinc/52/94/30/1055529430.db2.gz PKZVZLCQNQZSAP-UHFFFAOYSA-N 1 0 304.482 4.083 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC001620916779 1055540295 /nfs/dbraw/zinc/54/02/95/1055540295.db2.gz DWTUVWOYBMEKSH-VQIMIIECSA-N 1 0 313.466 4.486 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc3ncccc23)cc1 ZINC001620933582 1055549417 /nfs/dbraw/zinc/54/94/17/1055549417.db2.gz ZDMSLNQCTCIGTN-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C#C[C@H]1CCC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237919983 1055557013 /nfs/dbraw/zinc/55/70/13/1055557013.db2.gz KJBINQSYGNDWFJ-SFHVURJKSA-N 1 0 305.421 4.111 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001620943052 1055557570 /nfs/dbraw/zinc/55/75/70/1055557570.db2.gz GZDHPJMXOFFFJV-AHRSYUTCSA-N 1 0 315.501 4.486 20 30 DIEDRO CC(C)(C#N)c1ccc(CNc2cc3c(c[nH+]2)CCCC3)cc1 ZINC001620950472 1055564964 /nfs/dbraw/zinc/56/49/64/1055564964.db2.gz BVSJNCSPUUXWCP-UHFFFAOYSA-N 1 0 305.425 4.374 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC001620951106 1055567849 /nfs/dbraw/zinc/56/78/49/1055567849.db2.gz ZDAAMLOYTJDFPO-NRFANRHFSA-N 1 0 304.437 4.459 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237997592 1055575585 /nfs/dbraw/zinc/57/55/85/1055575585.db2.gz MMWHKTISFMUKEQ-UHFFFAOYSA-N 1 0 305.780 4.373 20 30 DIEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1C(F)(F)F ZINC000921588518 1055576500 /nfs/dbraw/zinc/57/65/00/1055576500.db2.gz FLPCANATKFYREN-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CCC)c2ccccn2)cc1 ZINC000765735854 1055579550 /nfs/dbraw/zinc/57/95/50/1055579550.db2.gz MDXLUPRQNKMDME-UZLBHIALSA-N 1 0 308.425 4.286 20 30 DIEDRO C=CC[N@@H+](Cc1[nH]nc2cc(Cl)ccc21)Cc1ccccc1 ZINC001238002806 1055580850 /nfs/dbraw/zinc/58/08/50/1055580850.db2.gz FASMOLLYVCENOP-UHFFFAOYSA-N 1 0 311.816 4.405 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C#N)ccc1N(C)C)CCC2 ZINC001620957186 1055581589 /nfs/dbraw/zinc/58/15/89/1055581589.db2.gz YLYIMBHQQKFGHP-FQEVSTJZSA-N 1 0 319.452 4.100 20 30 DIEDRO C#CCN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001238086245 1055604021 /nfs/dbraw/zinc/60/40/21/1055604021.db2.gz YONRLKFKTBUMMN-HXUWFJFHSA-N 1 0 320.823 4.334 20 30 DIEDRO N#CCCN(Cc1cccc2c[nH+]cn21)C1CCCCCCC1 ZINC001238113373 1055609238 /nfs/dbraw/zinc/60/92/38/1055609238.db2.gz JVXCQOYNMHGTCC-UHFFFAOYSA-N 1 0 310.445 4.163 20 30 DIEDRO N#Cc1cc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)ccc1Cl ZINC001238191694 1055617004 /nfs/dbraw/zinc/61/70/04/1055617004.db2.gz PGCCIVDPYLBPAR-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO C[N@H+](Cc1ccc(Cl)c(C#N)c1)Cc1cccc2cccnc21 ZINC001238193974 1055617680 /nfs/dbraw/zinc/61/76/80/1055617680.db2.gz IISKYJNDUPMQSO-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO N#Cc1cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)ccc1Cl ZINC001238194586 1055618529 /nfs/dbraw/zinc/61/85/29/1055618529.db2.gz QBXYDCGLZKWJQU-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO C#CC[N@H+](Cc1cncc(C2CC2)c1)[C@@H]1CCc2ccccc21 ZINC001238190626 1055618611 /nfs/dbraw/zinc/61/86/11/1055618611.db2.gz TVQHZPXGMDISLK-OAQYLSRUSA-N 1 0 302.421 4.082 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238193115 1055618787 /nfs/dbraw/zinc/61/87/87/1055618787.db2.gz YHFJLGOSUHGBRZ-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(OCc3ccccc3)c2)C1 ZINC001238346086 1055643916 /nfs/dbraw/zinc/64/39/16/1055643916.db2.gz YQRXCADTZBHASL-KRWDZBQOSA-N 1 0 323.411 4.250 20 30 DIEDRO COc1cc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)ccc1C#N ZINC001238409624 1055653433 /nfs/dbraw/zinc/65/34/33/1055653433.db2.gz IUWIBPQUUDCVAG-LJQANCHMSA-N 1 0 306.409 4.294 20 30 DIEDRO CC(C)Oc1ccc(CN(C)Cc2cccc(C#N)c2)c(F)c1 ZINC001238449615 1055660203 /nfs/dbraw/zinc/66/02/03/1055660203.db2.gz LACQOELTJRMZAT-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO CCCCCCCNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001565111582 1055664189 /nfs/dbraw/zinc/66/41/89/1055664189.db2.gz PGMMRTVETVBGBQ-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO Cc1ccc(OC(C)C)cc1C[N@H+](CCC#N)C1CCCC1 ZINC001238485770 1055670345 /nfs/dbraw/zinc/67/03/45/1055670345.db2.gz MJMICUBXSXBKHN-UHFFFAOYSA-N 1 0 300.446 4.441 20 30 DIEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000387493791 1055676040 /nfs/dbraw/zinc/67/60/40/1055676040.db2.gz JKZHBECYBAOUHP-AWEZNQCLSA-N 1 0 314.816 4.283 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238555301 1055684342 /nfs/dbraw/zinc/68/43/42/1055684342.db2.gz MJRRHDSMOLNRKW-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO N#CC1CC[NH+](Cc2ccccc2-c2ccc(F)cc2F)CC1 ZINC001238582919 1055691302 /nfs/dbraw/zinc/69/13/02/1055691302.db2.gz LFSUDYNRIZMXBQ-UHFFFAOYSA-N 1 0 312.363 4.367 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cnc1-c1ccccc1 ZINC001238611416 1055695582 /nfs/dbraw/zinc/69/55/82/1055695582.db2.gz INMMDWYHUHEUHG-QGZVFWFLSA-N 1 0 305.425 4.183 20 30 DIEDRO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cnc1-c1ccccc1 ZINC001238615403 1055698260 /nfs/dbraw/zinc/69/82/60/1055698260.db2.gz OLMKEVQMLXLROC-IRTIRVBGSA-N 1 0 317.436 4.324 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)cc(OC)c1O ZINC001620967021 1055702741 /nfs/dbraw/zinc/70/27/41/1055702741.db2.gz QGDZZUMPFXAUCS-IAGOWNOFSA-N 1 0 317.473 4.434 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)cc(OC)c1O ZINC001620967020 1055702921 /nfs/dbraw/zinc/70/29/21/1055702921.db2.gz QGDZZUMPFXAUCS-DLBZAZTESA-N 1 0 317.473 4.434 20 30 DIEDRO C=CC[N@@H+](C)Cc1cc(-c2ccc(F)cc2OC)ccc1OC ZINC001238639275 1055706802 /nfs/dbraw/zinc/70/68/02/1055706802.db2.gz FMNXYWOODSMJTM-UHFFFAOYSA-N 1 0 315.388 4.128 20 30 DIEDRO Cc1cc(OC(C)C)cc(C)c1C[NH+]1CCC(C)(C#N)CC1 ZINC001238664995 1055714144 /nfs/dbraw/zinc/71/41/44/1055714144.db2.gz UXKDESMVAOXWTH-UHFFFAOYSA-N 1 0 300.446 4.216 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)cc1Cl ZINC000105461103 1055727809 /nfs/dbraw/zinc/72/78/09/1055727809.db2.gz JGIUSOOCMIKEKU-ZDUSSCGKSA-N 1 0 317.816 4.461 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC001620968822 1055729602 /nfs/dbraw/zinc/72/96/02/1055729602.db2.gz NDSJERIJEVGRAF-UHFFFAOYSA-N 1 0 311.425 4.330 20 30 DIEDRO CCc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)ccc1C#N ZINC001238768995 1055744054 /nfs/dbraw/zinc/74/40/54/1055744054.db2.gz NZUVFPUARTUQJS-HXUWFJFHSA-N 1 0 305.425 4.161 20 30 DIEDRO CCc1cc(C[N@H+](C)CCCc2cccc(OC)c2)ccc1C#N ZINC001238768113 1055744650 /nfs/dbraw/zinc/74/46/50/1055744650.db2.gz FYFSJOPVZLFUPN-UHFFFAOYSA-N 1 0 322.452 4.194 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)ccc1C#N ZINC001238768232 1055744745 /nfs/dbraw/zinc/74/47/45/1055744745.db2.gz HYAXTNKDDKGANV-FQEVSTJZSA-N 1 0 320.436 4.119 20 30 DIEDRO CCc1cc(C[N@@H+]2CCSc3ccccc3C2)ccc1C#N ZINC001238769166 1055745461 /nfs/dbraw/zinc/74/54/61/1055745461.db2.gz PJIFTUVKSDDPHJ-UHFFFAOYSA-N 1 0 308.450 4.229 20 30 DIEDRO CCc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)ccc1C#N ZINC001238778211 1055749990 /nfs/dbraw/zinc/74/99/90/1055749990.db2.gz KUICWRFYHOVOQU-HXUWFJFHSA-N 1 0 322.477 4.411 20 30 DIEDRO CCCCCCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001566295977 1055759203 /nfs/dbraw/zinc/75/92/03/1055759203.db2.gz YYQZBNGZWGETTD-ROUUACIJSA-N 1 0 308.510 4.260 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1ccc(C(F)(F)F)cc1C#N ZINC001238842485 1055762545 /nfs/dbraw/zinc/76/25/45/1055762545.db2.gz BUSMZQFHMAOAJN-UHFFFAOYSA-N 1 0 304.315 4.306 20 30 DIEDRO C[NH+](C)Cc1cc(-c2ccc(C(F)(F)F)cc2C#N)ccc1F ZINC001238844601 1055765736 /nfs/dbraw/zinc/76/57/36/1055765736.db2.gz FIKNHIGEYMZEPX-UHFFFAOYSA-N 1 0 322.305 4.445 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001597032952 1055778520 /nfs/dbraw/zinc/77/85/20/1055778520.db2.gz UMODBXBXVRCWCR-QZTJIDSGSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC001597032262 1055779372 /nfs/dbraw/zinc/77/93/72/1055779372.db2.gz PIKYPXNHSHQZND-MLHJIOFPSA-N 1 0 310.526 4.361 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001597032950 1055779493 /nfs/dbraw/zinc/77/94/93/1055779493.db2.gz UMODBXBXVRCWCR-MSOLQXFVSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC001566734389 1055780002 /nfs/dbraw/zinc/78/00/02/1055780002.db2.gz RWEXJFCWGVMMCU-KRWDZBQOSA-N 1 0 310.526 4.221 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC001566990375 1055788624 /nfs/dbraw/zinc/78/86/24/1055788624.db2.gz XVTFYOVZVXWBRX-BZSNNMDCSA-N 1 0 310.526 4.314 20 30 DIEDRO CCCCCCCCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001597189248 1055799390 /nfs/dbraw/zinc/79/93/90/1055799390.db2.gz CIADERSVIMMMPU-PKOBYXMFSA-N 1 0 310.526 4.364 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H](CC)CC(F)(F)F)c1 ZINC001620973730 1055801602 /nfs/dbraw/zinc/80/16/02/1055801602.db2.gz ODANFXFNQBONII-CYBMUJFWSA-N 1 0 301.352 4.320 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(C#N)c(F)c2)cc1 ZINC001238996424 1055816131 /nfs/dbraw/zinc/81/61/31/1055816131.db2.gz VUNGXIMOZPIJGP-IBGZPJMESA-N 1 0 307.372 4.082 20 30 DIEDRO CCCCCCCCC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001597340524 1055817139 /nfs/dbraw/zinc/81/71/39/1055817139.db2.gz HHYBXWSAVVPWQP-KZNAEPCWSA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001239191588 1055845815 /nfs/dbraw/zinc/84/58/15/1055845815.db2.gz OFGRJQYWFADROO-AWEZNQCLSA-N 1 0 303.450 4.160 20 30 DIEDRO CCCCCCCCC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC001568904213 1055849806 /nfs/dbraw/zinc/84/98/06/1055849806.db2.gz KNFAFIXFQGBGSX-UHFFFAOYSA-N 1 0 316.489 4.080 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC[C@@]12CCC[NH2+]CC2 ZINC001239273027 1055856392 /nfs/dbraw/zinc/85/63/92/1055856392.db2.gz HNVGPTDNQWYBDY-PKOBYXMFSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001239276980 1055856834 /nfs/dbraw/zinc/85/68/34/1055856834.db2.gz ACBUKLKZJQUPDU-QZTJIDSGSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCCCC12CC[NH2+]CC2 ZINC001239279584 1055857992 /nfs/dbraw/zinc/85/79/92/1055857992.db2.gz VQOLWUHBARZTNL-KRWDZBQOSA-N 1 0 323.525 4.053 20 30 DIEDRO N#Cc1ccc(/C=C/c2cccc3c2C2(CC3)CC[NH2+]CC2)cc1 ZINC001239291294 1055860990 /nfs/dbraw/zinc/86/09/90/1055860990.db2.gz HZQFPDWSUPYPOU-CMDGGOBGSA-N 1 0 314.432 4.296 20 30 DIEDRO N#Cc1ccc(/C=C/c2ccc(F)c(C[NH+]3CCCC3)c2)cc1 ZINC001239303579 1055862836 /nfs/dbraw/zinc/86/28/36/1055862836.db2.gz AYJCLRQDUSOGEJ-ZZXKWVIFSA-N 1 0 306.384 4.464 20 30 DIEDRO CCCCCCCOC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001239312649 1055864322 /nfs/dbraw/zinc/86/43/22/1055864322.db2.gz YFDNBTAZFOUWIW-INIZCTEOSA-N 1 0 304.434 4.282 20 30 DIEDRO CCCCCCCCCOC(=O)NC12CCC([NH3+])(CC1)CC2 ZINC001239318868 1055867789 /nfs/dbraw/zinc/86/77/89/1055867789.db2.gz YENXXQVLRHNYLF-UHFFFAOYSA-N 1 0 310.482 4.267 20 30 DIEDRO CCCCCCCCCCOC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001239322166 1055869857 /nfs/dbraw/zinc/86/98/57/1055869857.db2.gz XOKGSEWKVDQDMZ-BJWYYQGGSA-N 1 0 310.482 4.136 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC001569790892 1055873117 /nfs/dbraw/zinc/87/31/17/1055873117.db2.gz SHMUEQDDTNLMFB-QZTJIDSGSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCCCOC(=O)N(C)C1CCC([NH2+]C)CC1 ZINC001239335265 1055873097 /nfs/dbraw/zinc/87/30/97/1055873097.db2.gz LVOCBWDSKOSUCL-UHFFFAOYSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCCCOC(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC001239339084 1055875718 /nfs/dbraw/zinc/87/57/18/1055875718.db2.gz LRDHLMUIQXZIJG-UHFFFAOYSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCNC(=S)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001239343135 1055876104 /nfs/dbraw/zinc/87/61/04/1055876104.db2.gz HDTKEVMPMAFBKC-MRXNPFEDSA-N 1 0 319.518 4.020 20 30 DIEDRO CCCCCCCCCNC(=S)Nc1cccc(C[NH3+])c1 ZINC001239344712 1055877703 /nfs/dbraw/zinc/87/77/03/1055877703.db2.gz UCTFFHOWBVZZCX-UHFFFAOYSA-N 1 0 307.507 4.182 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3cccnc3c2)cc1 ZINC000671723969 1055879727 /nfs/dbraw/zinc/87/97/27/1055879727.db2.gz PLDOTKYXSORDDC-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C=CC1(CC(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)CCCCC1 ZINC001539747361 1055896217 /nfs/dbraw/zinc/89/62/17/1055896217.db2.gz WHJRKLKMWODFDO-ROUUACIJSA-N 1 0 320.521 4.234 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001570618640 1055909653 /nfs/dbraw/zinc/90/96/53/1055909653.db2.gz JCPHWBDBLIWTMY-KURKYZTESA-N 1 0 308.510 4.116 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC001620772499 1055941251 /nfs/dbraw/zinc/94/12/51/1055941251.db2.gz HGUNIKDRCVWMNB-UHFFFAOYSA-N 1 0 312.501 4.474 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@]1(C)c1ccccc1 ZINC001620539626 1055965005 /nfs/dbraw/zinc/96/50/05/1055965005.db2.gz PDBURHQANARUEB-FQEVSTJZSA-N 1 0 306.409 4.078 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C(C)(C)C(C)C)cc1OC ZINC001620996921 1055965814 /nfs/dbraw/zinc/96/58/14/1055965814.db2.gz PCUCOEYWZSIDCK-UHFFFAOYSA-N 1 0 311.853 4.438 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H](Cc3ccccc3)C3CC3)cc2)CC1 ZINC001620794387 1055971688 /nfs/dbraw/zinc/97/16/88/1055971688.db2.gz QVCSUVIMLFXDBZ-OAQYLSRUSA-N 1 0 316.448 4.353 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccccc1 ZINC001168594194 1055975029 /nfs/dbraw/zinc/97/50/29/1055975029.db2.gz OZPSIUCUAPUTPX-ZWKOTPCHSA-N 1 0 314.473 4.198 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccccc1 ZINC001168594191 1055975937 /nfs/dbraw/zinc/97/59/37/1055975937.db2.gz OZPSIUCUAPUTPX-ROUUACIJSA-N 1 0 314.473 4.198 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC001620646880 1055977833 /nfs/dbraw/zinc/97/78/33/1055977833.db2.gz VDBGUAMNTBSULY-CQSZACIVSA-N 1 0 308.853 4.264 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC001620697709 1055981442 /nfs/dbraw/zinc/98/14/42/1055981442.db2.gz QFTRGNUYEPBPGV-UHFFFAOYSA-N 1 0 319.351 4.143 20 30 DIEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001621023365 1055988202 /nfs/dbraw/zinc/98/82/02/1055988202.db2.gz HWILDMCIGXVSNR-NRFANRHFSA-N 1 0 307.437 4.098 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC[C@@H]1CC=CCC1 ZINC001621033363 1055997087 /nfs/dbraw/zinc/99/70/87/1055997087.db2.gz ICHOLSNDQXPUOZ-OAHLLOKOSA-N 1 0 303.833 4.188 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC001621045702 1056005102 /nfs/dbraw/zinc/00/51/02/1056005102.db2.gz DPWVVVWWHIZXDM-ZDUSSCGKSA-N 1 0 321.873 4.485 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1ccnn1CC1CC1)c1ccccc1 ZINC001621048329 1056009051 /nfs/dbraw/zinc/00/90/51/1056009051.db2.gz DVTOONJAAZKZKY-FQEVSTJZSA-N 1 0 309.457 4.480 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001621055332 1056012527 /nfs/dbraw/zinc/01/25/27/1056012527.db2.gz XLXKXNGHVKGQSE-AWEZNQCLSA-N 1 0 312.369 4.010 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(O[C@H](C)CC)c2)CC1 ZINC001621054568 1056013398 /nfs/dbraw/zinc/01/33/98/1056013398.db2.gz NZPWIFDFCTWJHQ-JFIYKMOQSA-N 1 0 315.457 4.154 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1cc(C#C[Si](C)(C)C)ccn1 ZINC001239681450 1056023681 /nfs/dbraw/zinc/02/36/81/1056023681.db2.gz GQHWOHOCZDQDLW-UHFFFAOYSA-N 1 0 308.501 4.039 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)CCCC1 ZINC001621334081 1056037012 /nfs/dbraw/zinc/03/70/12/1056037012.db2.gz CAACAJQWHMUFHM-UHFFFAOYSA-N 1 0 318.461 4.151 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001540963907 1056087509 /nfs/dbraw/zinc/08/75/09/1056087509.db2.gz KMULIISTJXXKOD-RCCFBDPRSA-N 1 0 308.510 4.116 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000186323590 1056101399 /nfs/dbraw/zinc/10/13/99/1056101399.db2.gz VTGSDNDCSWCQNX-QGZVFWFLSA-N 1 0 319.452 4.318 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2C)C2CC2)cc1 ZINC000186323860 1056106458 /nfs/dbraw/zinc/10/64/58/1056106458.db2.gz JDZVJOVAQYBYOR-FQEVSTJZSA-N 1 0 306.409 4.116 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(-c2cc(F)c(C#N)c(F)c2)nc1 ZINC001239921635 1056161029 /nfs/dbraw/zinc/16/10/29/1056161029.db2.gz CQBCGVRSTWTRST-GOSISDBHSA-N 1 0 313.351 4.055 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1-c1cc(F)c(C#N)c(F)c1 ZINC001239931753 1056167297 /nfs/dbraw/zinc/16/72/97/1056167297.db2.gz RYBDTVYOSAOKQZ-UHFFFAOYSA-N 1 0 312.363 4.408 20 30 DIEDRO C[NH+]1CCC(c2cccc(-c3cc(F)c(C#N)c(F)c3)c2)CC1 ZINC001239933581 1056168002 /nfs/dbraw/zinc/16/80/02/1056168002.db2.gz BYMMDZANFBIRRD-UHFFFAOYSA-N 1 0 312.363 4.313 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001621132801 1056187504 /nfs/dbraw/zinc/18/75/04/1056187504.db2.gz FHTWSIZGOCTCNV-JKSUJKDBSA-N 1 0 306.475 4.035 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000553548366 1056195323 /nfs/dbraw/zinc/19/53/23/1056195323.db2.gz MMSDXTSHKLSULD-UHFFFAOYSA-N 1 0 322.355 4.417 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001584186494 1056279771 /nfs/dbraw/zinc/27/97/71/1056279771.db2.gz SYYCNRMZRDSWHT-ZCPJJFRWSA-N 1 0 320.521 4.284 20 30 DIEDRO CC(C)(C#N)c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC001240058314 1056291289 /nfs/dbraw/zinc/29/12/89/1056291289.db2.gz HYCMBDUOUHOZPK-UHFFFAOYSA-N 1 0 305.425 4.146 20 30 DIEDRO N#Cc1ccc2nccc(-c3ccc(C[NH+]4CCCC4)cc3)c2c1 ZINC001240058674 1056293582 /nfs/dbraw/zinc/29/35/82/1056293582.db2.gz GCYCVOHMHGAAFS-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2N(C)CC)cc1 ZINC000765849765 1056326211 /nfs/dbraw/zinc/32/62/11/1056326211.db2.gz QARGTAHIMXCTRT-KRWDZBQOSA-N 1 0 322.452 4.006 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(F)c1C#N ZINC000301576320 1056332821 /nfs/dbraw/zinc/33/28/21/1056332821.db2.gz MJILTZIYSPQWGG-BEFAXECRSA-N 1 0 323.415 4.020 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001612924796 1056339039 /nfs/dbraw/zinc/33/90/39/1056339039.db2.gz IBKKWUZHNDGNNM-UHFFFAOYSA-N 1 0 315.436 4.215 20 30 DIEDRO N#Cc1c2c(cnc1-c1cccc(C[NH+]3CCCCC3)c1)CCC2 ZINC001240168468 1056360432 /nfs/dbraw/zinc/36/04/32/1056360432.db2.gz LYNLPFFSHIPEJU-UHFFFAOYSA-N 1 0 317.436 4.095 20 30 DIEDRO N#CCc1ccc(-c2cccc(C[NH+]3CCCCC3)c2)cc1C#N ZINC001240169782 1056362397 /nfs/dbraw/zinc/36/23/97/1056362397.db2.gz SNJHZGRGGXGJKT-UHFFFAOYSA-N 1 0 315.420 4.277 20 30 DIEDRO N#CC1(c2ccccc2-c2c3cc[nH]c3ccc2F)CC[NH2+]CC1 ZINC001240220024 1056377511 /nfs/dbraw/zinc/37/75/11/1056377511.db2.gz SZAQMHVENVQXRR-UHFFFAOYSA-N 1 0 319.383 4.119 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3nccn3c2)cc1 ZINC001240220533 1056379104 /nfs/dbraw/zinc/37/91/04/1056379104.db2.gz GXUJVYUEVMWDKC-LJQANCHMSA-N 1 0 303.409 4.324 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)c1 ZINC001620825223 1056394091 /nfs/dbraw/zinc/39/40/91/1056394091.db2.gz ISZKGFXWRZXAAH-CQSZACIVSA-N 1 0 315.388 4.250 20 30 DIEDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000404833724 1056420217 /nfs/dbraw/zinc/42/02/17/1056420217.db2.gz JVFLEUVAEDVJIT-UHFFFAOYSA-N 1 0 302.418 4.346 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC001584797467 1056420842 /nfs/dbraw/zinc/42/08/42/1056420842.db2.gz IQBYCKXTFRKYRZ-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO COc1ccc2cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ccc2c1 ZINC001240345603 1056438679 /nfs/dbraw/zinc/43/86/79/1056438679.db2.gz MRJKMSSKFZMESB-UHFFFAOYSA-N 1 0 314.388 4.074 20 30 DIEDRO N#Cc1cc(-c2ccc(CC(F)(F)F)cc2)cc(C2C[NH2+]C2)c1 ZINC001240345594 1056439121 /nfs/dbraw/zinc/43/91/21/1056439121.db2.gz MMBFCLXLRAZTAK-UHFFFAOYSA-N 1 0 316.326 4.017 20 30 DIEDRO C=C(C)CCc1ccccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240350956 1056442198 /nfs/dbraw/zinc/44/21/98/1056442198.db2.gz IMWRAOSOHFKDKP-UHFFFAOYSA-N 1 0 302.421 4.421 20 30 DIEDRO CCCCOc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c(C)c1 ZINC001240360268 1056443397 /nfs/dbraw/zinc/44/33/97/1056443397.db2.gz CVJDDQLGMNZPLJ-UHFFFAOYSA-N 1 0 320.436 4.399 20 30 DIEDRO CCCCOc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c(F)c1 ZINC001240360767 1056445260 /nfs/dbraw/zinc/44/52/60/1056445260.db2.gz HGYZOJITKZDPGK-UHFFFAOYSA-N 1 0 324.399 4.230 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(C3(C#N)CC3)cn2)cc1 ZINC001240361011 1056445593 /nfs/dbraw/zinc/44/55/93/1056445593.db2.gz ICSUHHNPAPEYBG-UHFFFAOYSA-N 1 0 305.425 4.192 20 30 DIEDRO CSc1ccc(F)c(C)c1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240360543 1056445641 /nfs/dbraw/zinc/44/56/41/1056445641.db2.gz CQHYNRONZAYBKH-UHFFFAOYSA-N 1 0 312.413 4.082 20 30 DIEDRO COc1cc(-c2ccc(C[NH2+]C(C)(C)C)cc2)ccc1CC#N ZINC001240370797 1056457118 /nfs/dbraw/zinc/45/71/18/1056457118.db2.gz YPFXZOMTHUPLTP-UHFFFAOYSA-N 1 0 308.425 4.316 20 30 DIEDRO COc1ccc(CC#N)cc1-c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001240370584 1056457249 /nfs/dbraw/zinc/45/72/49/1056457249.db2.gz SURFJFLIVHCZOV-UHFFFAOYSA-N 1 0 308.425 4.316 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H](c2cccnc2)C(C)C)c1 ZINC001620826987 1056462327 /nfs/dbraw/zinc/46/23/27/1056462327.db2.gz AIYOFBHUXFEVBR-FQEVSTJZSA-N 1 0 310.441 4.176 20 30 DIEDRO CC[N@H+](C[Si](C)(C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001615230290 1056480005 /nfs/dbraw/zinc/48/00/05/1056480005.db2.gz VEUVPSANVDTGCU-KRWDZBQOSA-N 1 0 322.528 4.096 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CC1CCCCCC1)C(C)C ZINC001585127715 1056489656 /nfs/dbraw/zinc/48/96/56/1056489656.db2.gz BEBYVEDQRMJJLN-IBGZPJMESA-N 1 0 320.521 4.162 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001615319264 1056491384 /nfs/dbraw/zinc/49/13/84/1056491384.db2.gz RPCCLPBQPKJNAP-UHFFFAOYSA-N 1 0 317.436 4.397 20 30 DIEDRO CC(C)[N@H+](CCCCC#N)Cc1cccc(Br)c1 ZINC000338727726 1056499337 /nfs/dbraw/zinc/49/93/37/1056499337.db2.gz CPNILKHPABDHCT-UHFFFAOYSA-N 1 0 309.251 4.353 20 30 DIEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001615401655 1056503469 /nfs/dbraw/zinc/50/34/69/1056503469.db2.gz JBZCQRDDPFNAQZ-OAHLLOKOSA-N 1 0 321.262 4.331 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001585225164 1056510903 /nfs/dbraw/zinc/51/09/03/1056510903.db2.gz SCCKMHHSVNNOHJ-QZTJIDSGSA-N 1 0 308.510 4.070 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC001615481147 1056515701 /nfs/dbraw/zinc/51/57/01/1056515701.db2.gz IBYPXRCYZXLHBC-NRFANRHFSA-N 1 0 304.437 4.306 20 30 DIEDRO CC[C@H]([NH2+]CCOc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC001168676967 1056525075 /nfs/dbraw/zinc/52/50/75/1056525075.db2.gz MUJOSUOIUHYEGG-SFHVURJKSA-N 1 0 314.816 4.331 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC001615558630 1056531893 /nfs/dbraw/zinc/53/18/93/1056531893.db2.gz HEADNLVQFCBZEF-DNVCBOLYSA-N 1 0 308.400 4.118 20 30 DIEDRO C=C(C[NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000620756513 1056543569 /nfs/dbraw/zinc/54/35/69/1056543569.db2.gz HDLQLPWJKVWYOA-UHFFFAOYSA-N 1 0 321.342 4.431 20 30 DIEDRO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H](C)C(C)(C)C)n1 ZINC001168683371 1056544383 /nfs/dbraw/zinc/54/43/83/1056544383.db2.gz HOFBFXSLGRYTJY-RARRGTEFSA-N 1 0 323.506 4.118 20 30 DIEDRO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H](C)C(C)(C)C)n1 ZINC001168683370 1056544932 /nfs/dbraw/zinc/54/49/32/1056544932.db2.gz HOFBFXSLGRYTJY-PUXKIEAOSA-N 1 0 323.506 4.118 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000619611090 1056561443 /nfs/dbraw/zinc/56/14/43/1056561443.db2.gz GBIALIASHPHXGJ-AEFFLSMTSA-N 1 0 323.415 4.217 20 30 DIEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000111411461 1056576922 /nfs/dbraw/zinc/57/69/22/1056576922.db2.gz ISTDERHZXOMCOK-KKSFZXQISA-N 1 0 320.436 4.392 20 30 DIEDRO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCCCC1 ZINC000075677300 1056585721 /nfs/dbraw/zinc/58/57/21/1056585721.db2.gz OPSASJCBYPXNMM-UHFFFAOYSA-N 1 0 324.428 4.153 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(CC)CCCCC1)C(C)C ZINC001615883700 1056590893 /nfs/dbraw/zinc/59/08/93/1056590893.db2.gz BYXVVEHSPCWGLP-SFHVURJKSA-N 1 0 320.521 4.162 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001615986124 1056603248 /nfs/dbraw/zinc/60/32/48/1056603248.db2.gz XKBKTUFFRAFLMO-KRWDZBQOSA-N 1 0 317.477 4.011 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)C1(CC)CC ZINC001615998027 1056604085 /nfs/dbraw/zinc/60/40/85/1056604085.db2.gz AIEYJBSTAURWKD-MOPGFXCFSA-N 1 0 314.473 4.168 20 30 DIEDRO C=CCCCC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001616014174 1056606011 /nfs/dbraw/zinc/60/60/11/1056606011.db2.gz WFNOWJFUBJRBEI-APWZRJJASA-N 1 0 324.509 4.406 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC001616159977 1056616032 /nfs/dbraw/zinc/61/60/32/1056616032.db2.gz WLXLEBHKLJFOAK-QZTJIDSGSA-N 1 0 318.436 4.113 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC001616174630 1056616129 /nfs/dbraw/zinc/61/61/29/1056616129.db2.gz SXWRYSGSWDSJRL-UHFFFAOYSA-N 1 0 324.399 4.135 20 30 DIEDRO N#Cc1ccnc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)c1 ZINC001616357019 1056641154 /nfs/dbraw/zinc/64/11/54/1056641154.db2.gz RZTYQSXIDAJWFK-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO C=CC[N@H+](CCOC1CCCCCC1)Cc1cccc(C#N)c1 ZINC000112679078 1056648458 /nfs/dbraw/zinc/64/84/58/1056648458.db2.gz QLUIYIWZMUCORD-UHFFFAOYSA-N 1 0 312.457 4.286 20 30 DIEDRO C[C@@H](Nc1ccc(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310502680 1056652819 /nfs/dbraw/zinc/65/28/19/1056652819.db2.gz JQJWCIHFGAKXLD-CRAIPNDOSA-N 1 0 323.415 4.020 20 30 DIEDRO Cc1ccccc1CCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001616570556 1056679773 /nfs/dbraw/zinc/67/97/73/1056679773.db2.gz ULOAGNZNRQOZSW-UHFFFAOYSA-N 1 0 304.437 4.464 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC001616577057 1056681202 /nfs/dbraw/zinc/68/12/02/1056681202.db2.gz RONVSEFRVXWLGT-SFHVURJKSA-N 1 0 308.400 4.467 20 30 DIEDRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000489033101 1056696643 /nfs/dbraw/zinc/69/66/43/1056696643.db2.gz ACYDQKHKZYYPRG-NRFANRHFSA-N 1 0 322.452 4.030 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001616709188 1056704222 /nfs/dbraw/zinc/70/42/22/1056704222.db2.gz CDUDRCZWFIZYHO-MOPGFXCFSA-N 1 0 322.537 4.460 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000921999255 1056723425 /nfs/dbraw/zinc/72/34/25/1056723425.db2.gz CITNBYJFJWYZFK-UHFFFAOYSA-N 1 0 300.352 4.403 20 30 DIEDRO N#Cc1cc(Br)ccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000311631997 1056742616 /nfs/dbraw/zinc/74/26/16/1056742616.db2.gz PBAJGRCFBVLLCE-WBMJQRKESA-N 1 0 319.246 4.085 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc2c(c1)CCCC2 ZINC001617039449 1056765517 /nfs/dbraw/zinc/76/55/17/1056765517.db2.gz CKESGLAIZLZWRZ-INIZCTEOSA-N 1 0 320.436 4.167 20 30 DIEDRO COc1ccccc1C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(C)C ZINC001617104361 1056777511 /nfs/dbraw/zinc/77/75/11/1056777511.db2.gz TXSRADLSGZVHBL-UZLBHIALSA-N 1 0 322.452 4.485 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC1CCC(C#N)CC1)[C@H]2C ZINC001617124014 1056779596 /nfs/dbraw/zinc/77/95/96/1056779596.db2.gz ZYLGCMRNVBZGIJ-XNIRIUNOSA-N 1 0 312.457 4.333 20 30 DIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC ZINC001617133945 1056780079 /nfs/dbraw/zinc/78/00/79/1056780079.db2.gz UEYIIKFTELIGMB-FOIQADDNSA-N 1 0 308.425 4.301 20 30 DIEDRO C=CCCCC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC001617197895 1056791583 /nfs/dbraw/zinc/79/15/83/1056791583.db2.gz GDYDXOQYHSIJHU-UHFFFAOYSA-N 1 0 301.352 4.372 20 30 DIEDRO COc1c(C)cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1C ZINC001241019376 1056821227 /nfs/dbraw/zinc/82/12/27/1056821227.db2.gz HKKQXBXNTZUVSG-UHFFFAOYSA-N 1 0 320.436 4.124 20 30 DIEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001617402485 1056827909 /nfs/dbraw/zinc/82/79/09/1056827909.db2.gz SBBLCULOIJGJKT-QAPCUYQASA-N 1 0 300.446 4.132 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccccc1 ZINC000922145090 1056845715 /nfs/dbraw/zinc/84/57/15/1056845715.db2.gz LKDWMTDWTAYILH-INIZCTEOSA-N 1 0 321.380 4.058 20 30 DIEDRO C=CC[C@@H]1[N@H+](CCCN(C)C(=O)OC(C)(C)C)CCCC1(C)C ZINC001617603619 1056855800 /nfs/dbraw/zinc/85/58/00/1056855800.db2.gz AJRJGPNETRUCME-INIZCTEOSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2ccc(C)c(C)c2)CCCC1(C)C ZINC001617604514 1056855850 /nfs/dbraw/zinc/85/58/50/1056855850.db2.gz UJENNHJTKQAXRF-GOSISDBHSA-N 1 0 314.473 4.309 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2ccc(C(=O)OC)c(F)c2)CCCC1(C)C ZINC001617604932 1056855944 /nfs/dbraw/zinc/85/59/44/1056855944.db2.gz ZFWLKVAWFLVCCA-QGZVFWFLSA-N 1 0 319.420 4.179 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000554979253 1056857984 /nfs/dbraw/zinc/85/79/84/1056857984.db2.gz SHWOHFBKDBKFKN-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO C=CCCCCC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001617668367 1056866304 /nfs/dbraw/zinc/86/63/04/1056866304.db2.gz VDPDXVGRIRSBSJ-IBGZPJMESA-N 1 0 315.457 4.331 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001617790668 1056883230 /nfs/dbraw/zinc/88/32/30/1056883230.db2.gz AFRXNNYNEURJKB-FCHUYYIVSA-N 1 0 319.448 4.432 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001617790670 1056883978 /nfs/dbraw/zinc/88/39/78/1056883978.db2.gz AFRXNNYNEURJKB-VXKWHMMOSA-N 1 0 319.448 4.432 20 30 DIEDRO C#CC[N@@H+](CCSc1ccnc2cc(Cl)ccc21)C1CC1 ZINC001617994037 1056911045 /nfs/dbraw/zinc/91/10/45/1056911045.db2.gz RRPCRCHMPXZKDL-UHFFFAOYSA-N 1 0 316.857 4.078 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001618047588 1056918178 /nfs/dbraw/zinc/91/81/78/1056918178.db2.gz DZHMCZFJQHXJMI-NRFANRHFSA-N 1 0 316.448 4.278 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCOc1cccc(C(C)(C)C)c1 ZINC001618041870 1056918353 /nfs/dbraw/zinc/91/83/53/1056918353.db2.gz RSOZPYBVHPJNGR-MOPGFXCFSA-N 1 0 317.473 4.076 20 30 DIEDRO Fc1ccccc1[C@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC001618122114 1056925749 /nfs/dbraw/zinc/92/57/49/1056925749.db2.gz HLPVPOGVRVAETF-INIZCTEOSA-N 1 0 313.803 4.320 20 30 DIEDRO C=C(C)CN1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001618122794 1056925952 /nfs/dbraw/zinc/92/59/52/1056925952.db2.gz QDAFCFBIRXCPDH-NRFANRHFSA-N 1 0 314.517 4.228 20 30 DIEDRO CCOc1ccc(C)cc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001241149064 1056928069 /nfs/dbraw/zinc/92/80/69/1056928069.db2.gz PLCSUHHXLXIYPN-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO C#CCCCCCC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC001618170874 1056929058 /nfs/dbraw/zinc/92/90/58/1056929058.db2.gz BXSDEVKYCYXHPU-UHFFFAOYSA-N 1 0 313.485 4.377 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001618227524 1056937160 /nfs/dbraw/zinc/93/71/60/1056937160.db2.gz GVHJXNGCTPUIKZ-SJORKVTESA-N 1 0 324.509 4.288 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000011010988 1056939014 /nfs/dbraw/zinc/93/90/14/1056939014.db2.gz WRTILLGLEYQWKL-UHFFFAOYSA-N 1 0 308.425 4.337 20 30 DIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000314949670 1056948616 /nfs/dbraw/zinc/94/86/16/1056948616.db2.gz CDXQKTNRKZJELQ-AWEZNQCLSA-N 1 0 314.816 4.283 20 30 DIEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCOc1ccccc1C#N ZINC000315398729 1056961878 /nfs/dbraw/zinc/96/18/78/1056961878.db2.gz DZSCDYOCKCMHEV-AWEZNQCLSA-N 1 0 314.816 4.283 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000922190292 1056962292 /nfs/dbraw/zinc/96/22/92/1056962292.db2.gz IPXVMURYDUJGBT-OAQYLSRUSA-N 1 0 315.420 4.214 20 30 DIEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000315681296 1056969633 /nfs/dbraw/zinc/96/96/33/1056969633.db2.gz ZYBNDQIJJJLWDY-AWEZNQCLSA-N 1 0 314.816 4.283 20 30 DIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000116263866 1056969926 /nfs/dbraw/zinc/96/99/26/1056969926.db2.gz AABXOTFASHOJEJ-MRXNPFEDSA-N 1 0 305.425 4.196 20 30 DIEDRO C=CCC1([NH2+]CC2CCC(C(F)(F)F)CC2)CCOCC1 ZINC000657632871 1057003229 /nfs/dbraw/zinc/00/32/29/1057003229.db2.gz ACYLIDISUKECJA-UHFFFAOYSA-N 1 0 305.384 4.070 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(OCC)c(F)c1)c1ccncc1 ZINC000785468588 1057007033 /nfs/dbraw/zinc/00/70/33/1057007033.db2.gz JSTBYLHKWWHCHG-KRWDZBQOSA-N 1 0 300.377 4.026 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]CCOc1ccccc1C#N)C(C)C ZINC001168723505 1057009210 /nfs/dbraw/zinc/00/92/10/1057009210.db2.gz MOZBVOZIMLADKE-HXUWFJFHSA-N 1 0 308.425 4.232 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccccc1 ZINC000922334381 1057011116 /nfs/dbraw/zinc/01/11/16/1057011116.db2.gz IEYLEGWOJKXTBN-SFHVURJKSA-N 1 0 309.457 4.096 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccccc1 ZINC000922335453 1057011371 /nfs/dbraw/zinc/01/13/71/1057011371.db2.gz SDNBNCLAQCXWGN-GOSISDBHSA-N 1 0 301.409 4.040 20 30 DIEDRO Cc1cccc(NC2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000093607822 1057039447 /nfs/dbraw/zinc/03/94/47/1057039447.db2.gz UAMVIAKTYNAMFV-UHFFFAOYSA-N 1 0 311.454 4.005 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(F)ccc1OC ZINC000922622116 1057040505 /nfs/dbraw/zinc/04/05/05/1057040505.db2.gz PKFYPTNFBJMLPX-KRWDZBQOSA-N 1 0 316.351 4.086 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(C(F)(F)F)cc1 ZINC000673605269 1057045258 /nfs/dbraw/zinc/04/52/58/1057045258.db2.gz DPZMDFVGXBVHKX-INIZCTEOSA-N 1 0 323.362 4.236 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000124613533 1057045841 /nfs/dbraw/zinc/04/58/41/1057045841.db2.gz PWDDWWSLNXQIEO-IFXJQAMLSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[NH+](CC)Cc1cccc(NCc2ccc(OC)c(C#N)c2)c1 ZINC000124972367 1057054023 /nfs/dbraw/zinc/05/40/23/1057054023.db2.gz REIALHXTJTZUDU-UHFFFAOYSA-N 1 0 323.440 4.021 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)ccc1C#N ZINC000922776456 1057056750 /nfs/dbraw/zinc/05/67/50/1057056750.db2.gz SEOIAGOEEPAJJO-QZTJIDSGSA-N 1 0 312.363 4.005 20 30 DIEDRO N#CCc1cccc(C2=CC[N@H+](Cc3ccccc3)CC2)c1F ZINC001241504652 1057075934 /nfs/dbraw/zinc/07/59/34/1057075934.db2.gz XJMHTFQTTJURPO-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000361216366 1057076263 /nfs/dbraw/zinc/07/62/63/1057076263.db2.gz MVFVWVBFQHPETI-INIZCTEOSA-N 1 0 322.905 4.117 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000156310176 1057076482 /nfs/dbraw/zinc/07/64/82/1057076482.db2.gz DGGMQYIEXUIGPB-HNNXBMFYSA-N 1 0 319.408 4.022 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2cc(C#N)cs2)C2CCC2)cc1 ZINC000922888008 1057089459 /nfs/dbraw/zinc/08/94/59/1057089459.db2.gz INYJRVJGAPXHNJ-GOSISDBHSA-N 1 0 312.438 4.259 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ncnc3cc(C#N)ccc32)cc1 ZINC001241572805 1057093957 /nfs/dbraw/zinc/09/39/57/1057093957.db2.gz BLFPSAPOPIPBTL-UHFFFAOYSA-N 1 0 316.408 4.010 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2cc(/C=N/O)ccc2F)cc1 ZINC001241583604 1057099261 /nfs/dbraw/zinc/09/92/61/1057099261.db2.gz UHDYCDYVUKTKLZ-UDWIEESQSA-N 1 0 300.377 4.143 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(F)c(C#N)c2OC)cc1 ZINC001241585754 1057100101 /nfs/dbraw/zinc/10/01/01/1057100101.db2.gz DCAUHPPBTZUKKJ-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000766017720 1057105214 /nfs/dbraw/zinc/10/52/14/1057105214.db2.gz CRVCORZUQOWKKR-CRAIPNDOSA-N 1 0 324.424 4.211 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccncc1 ZINC000766018799 1057107600 /nfs/dbraw/zinc/10/76/00/1057107600.db2.gz HKNOLUKADFPSEI-IFXJQAMLSA-N 1 0 309.413 4.008 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1OC)c1ccncc1 ZINC000766019514 1057110443 /nfs/dbraw/zinc/11/04/43/1057110443.db2.gz MDXFYZANEARTAS-RDTXWAMCSA-N 1 0 312.413 4.067 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1ccncc1 ZINC000766019338 1057117623 /nfs/dbraw/zinc/11/76/23/1057117623.db2.gz LPHUKQRTTHIOLD-ZBEGNZNMSA-N 1 0 306.331 4.467 20 30 DIEDRO N#Cc1cc(F)cc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)c1 ZINC001241659071 1057126210 /nfs/dbraw/zinc/12/62/10/1057126210.db2.gz WONAAMAFXFIVMT-WOJBJXKFSA-N 1 0 324.399 4.151 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2cc(F)cc(C#N)c2)cc1F ZINC001241660343 1057126842 /nfs/dbraw/zinc/12/68/42/1057126842.db2.gz ODGQWPMNARMVQV-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c1 ZINC000162779382 1057150592 /nfs/dbraw/zinc/15/05/92/1057150592.db2.gz JEYZSFSDJXGPBT-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO CC(C)c1cccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001241740413 1057153058 /nfs/dbraw/zinc/15/30/58/1057153058.db2.gz YJFLPBJVUOMZSA-UHFFFAOYSA-N 1 0 320.436 4.479 20 30 DIEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCCC2)CCC1 ZINC001307584136 1057155134 /nfs/dbraw/zinc/15/51/34/1057155134.db2.gz SYHKREVFTKDIAP-RBUKOAKNSA-N 1 0 318.505 4.256 20 30 DIEDRO N#CCc1ccc(-c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC001241759897 1057159711 /nfs/dbraw/zinc/15/97/11/1057159711.db2.gz YOHCHMAQCLVEDB-UHFFFAOYSA-N 1 0 320.436 4.284 20 30 DIEDRO C#Cc1cccc(-c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001241916164 1057209706 /nfs/dbraw/zinc/20/97/06/1057209706.db2.gz KEOYXNXEMANNAE-UHFFFAOYSA-N 1 0 324.427 4.288 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)c(CO)c2)cc1 ZINC001241932324 1057215983 /nfs/dbraw/zinc/21/59/83/1057215983.db2.gz OGMRBJHAVWCFAS-FQEVSTJZSA-N 1 0 323.436 4.177 20 30 DIEDRO CO[C@H](C)c1cccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001242042041 1057248562 /nfs/dbraw/zinc/24/85/62/1057248562.db2.gz WUQKCRRHOHKGAQ-MRXNPFEDSA-N 1 0 320.436 4.206 20 30 DIEDRO N#Cc1cnc(-c2cccc(C[NH+]3CCCC3)c2)c2ccccc12 ZINC001242116714 1057267539 /nfs/dbraw/zinc/26/75/39/1057267539.db2.gz OBPYTVFDDODBHI-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO COc1cc(-c2cccc(C[NH+]3CCCC3)c2)ccc1CC#N ZINC001242118458 1057267938 /nfs/dbraw/zinc/26/79/38/1057267938.db2.gz ODLAXLCRPDSCGS-UHFFFAOYSA-N 1 0 306.409 4.024 20 30 DIEDRO N#CC1(c2ccc(-c3cccc(C[NH+]4CCCC4)c3)nc2)CCC1 ZINC001242118005 1057268153 /nfs/dbraw/zinc/26/81/53/1057268153.db2.gz QXDNGNWEDUWTMS-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO O/N=C1/CCc2cc(-c3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC001242122642 1057269778 /nfs/dbraw/zinc/26/97/78/1057269778.db2.gz MSGSSFHGCVHPFW-MRCUWXFGSA-N 1 0 306.409 4.074 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CSc3ccccc32)cc1 ZINC000766072120 1057285986 /nfs/dbraw/zinc/28/59/86/1057285986.db2.gz PZNCEVYPIFBCPM-RDTXWAMCSA-N 1 0 309.434 4.196 20 30 DIEDRO C#Cc1ccc(-c2nccc3c2CC[N@H+](Cc2ccccc2)C3)cc1 ZINC001242293664 1057324473 /nfs/dbraw/zinc/32/44/73/1057324473.db2.gz LWFOEFBSCOGJQN-UHFFFAOYSA-N 1 0 324.427 4.288 20 30 DIEDRO COc1cccc(-c2cc(C[NH+]3CCCC3)ccc2C)c1C#N ZINC001242299766 1057325761 /nfs/dbraw/zinc/32/57/61/1057325761.db2.gz XOCUCKWIAGVTBG-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO N#Cc1ncccc1-c1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001242312009 1057331135 /nfs/dbraw/zinc/33/11/35/1057331135.db2.gz NMFXJIRJQOBVRQ-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C2=CC(=O)CC(C)(C)C2)cc1F ZINC001242318198 1057333156 /nfs/dbraw/zinc/33/31/56/1057333156.db2.gz UQILTQPQVZLLIB-UHFFFAOYSA-N 1 0 303.421 4.440 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000766111752 1057346556 /nfs/dbraw/zinc/34/65/56/1057346556.db2.gz ZCVSTXSHIGQGQA-MSOLQXFVSA-N 1 0 308.510 4.070 20 30 DIEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000174406262 1057361023 /nfs/dbraw/zinc/36/10/23/1057361023.db2.gz NFBHYXZYTKSBIO-QGZVFWFLSA-N 1 0 317.452 4.023 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000174431634 1057361556 /nfs/dbraw/zinc/36/15/56/1057361556.db2.gz RSANLYNTWHTRLK-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)cc2C)nc1 ZINC001242473594 1057376423 /nfs/dbraw/zinc/37/64/23/1057376423.db2.gz DJNSYOJJOIDSJZ-FQEVSTJZSA-N 1 0 305.425 4.476 20 30 DIEDRO Cc1cc(C#N)cc(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)c1 ZINC001242480655 1057379157 /nfs/dbraw/zinc/37/91/57/1057379157.db2.gz NNXIOWNERCBIEE-UHFFFAOYSA-N 1 0 312.363 4.408 20 30 DIEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccccc1Cl ZINC001168758028 1057380936 /nfs/dbraw/zinc/38/09/36/1057380936.db2.gz MTXZEOXALSDVTR-RHSMWYFYSA-N 1 0 320.864 4.072 20 30 DIEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccccc1Cl ZINC001168758029 1057381441 /nfs/dbraw/zinc/38/14/41/1057381441.db2.gz MTXZEOXALSDVTR-WMLDXEAASA-N 1 0 320.864 4.072 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cncc(N(C)C)c2)cc1 ZINC001242529563 1057394985 /nfs/dbraw/zinc/39/49/85/1057394985.db2.gz VWIMSMHXTQOGRL-HXUWFJFHSA-N 1 0 307.441 4.138 20 30 DIEDRO Cc1ccc(C#N)cc1-c1cccc2c1C1(CC2)CC[NH2+]CC1 ZINC001242541520 1057398468 /nfs/dbraw/zinc/39/84/68/1057398468.db2.gz JUBYCMXUPUWOPK-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO Cc1ccc(C#N)cc1-c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001242542119 1057399148 /nfs/dbraw/zinc/39/91/48/1057399148.db2.gz XSNNNPMCRJYITJ-UHFFFAOYSA-N 1 0 300.405 4.182 20 30 DIEDRO C=C(C[NH2+][C@H](C)CC(=O)Nc1ccccc1CC)c1ccccc1 ZINC000675783181 1057413865 /nfs/dbraw/zinc/41/38/65/1057413865.db2.gz CVCAFBOSPDJIJI-QGZVFWFLSA-N 1 0 322.452 4.269 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000675783528 1057414158 /nfs/dbraw/zinc/41/41/58/1057414158.db2.gz JPDSSIGYNDCLRG-QGZVFWFLSA-N 1 0 303.409 4.236 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(F)cc2C#N)nc1 ZINC001242581915 1057414184 /nfs/dbraw/zinc/41/41/84/1057414184.db2.gz HJXVLZAKPJCCGD-LJQANCHMSA-N 1 0 309.388 4.306 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc(OCCOC)cc1)c1ccccc1 ZINC000675783218 1057414453 /nfs/dbraw/zinc/41/44/53/1057414453.db2.gz DNIRHLFRUNHLBQ-KRWDZBQOSA-N 1 0 311.425 4.076 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(F)cc1C#N ZINC001242584694 1057414960 /nfs/dbraw/zinc/41/49/60/1057414960.db2.gz QMLOTOKTDYJURS-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(F)cc2C#N)c1 ZINC001242584437 1057415290 /nfs/dbraw/zinc/41/52/90/1057415290.db2.gz NDVXFPVMCDWFQD-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000675933343 1057434831 /nfs/dbraw/zinc/43/48/31/1057434831.db2.gz BUPIESGWLJFKMF-JKSUJKDBSA-N 1 0 321.424 4.138 20 30 DIEDRO N#Cc1cc(C(F)(F)F)cc(C2=CC[C@H]([NH+]3CCCC3)CC2)n1 ZINC001242688429 1057446840 /nfs/dbraw/zinc/44/68/40/1057446840.db2.gz PAEQEMWXZSHCAF-HNNXBMFYSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1c2ccccc2cnc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242688927 1057447760 /nfs/dbraw/zinc/44/77/60/1057447760.db2.gz NIWPISSHSRQXMP-KRWDZBQOSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1ncc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC001242690924 1057448733 /nfs/dbraw/zinc/44/87/33/1057448733.db2.gz AVGDNXADVRZTMD-CQSZACIVSA-N 1 0 321.346 4.004 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1-c1ccccc1C#N ZINC001242717489 1057457569 /nfs/dbraw/zinc/45/75/69/1057457569.db2.gz UYBZJEJZFFCHQM-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(C2=CC(=O)C[C@H](C)C2)nc1 ZINC001242739498 1057464618 /nfs/dbraw/zinc/46/46/18/1057464618.db2.gz DNRDGLNGEFWWOX-FOIQADDNSA-N 1 0 312.457 4.401 20 30 DIEDRO COc1ccc(C2=CC(=O)C[C@H](C)C2)cc1C[NH+]1CCCCC1 ZINC001242742085 1057465655 /nfs/dbraw/zinc/46/56/55/1057465655.db2.gz IWPAJLJTUGLSTQ-OAHLLOKOSA-N 1 0 313.441 4.064 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)c(C)c2)nc1 ZINC001242767432 1057468487 /nfs/dbraw/zinc/46/84/87/1057468487.db2.gz VWHUWUGSLYBEBQ-FQEVSTJZSA-N 1 0 305.425 4.476 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnnn1-c1ccccc1)c1ccccc1 ZINC000676424447 1057470934 /nfs/dbraw/zinc/47/09/34/1057470934.db2.gz NFADBEHZBKRLSQ-FQEVSTJZSA-N 1 0 318.424 4.064 20 30 DIEDRO CCc1cccc(C)c1-c1ccc(OC2CC[NH2+]CC2)c(C#N)c1 ZINC001242816617 1057490037 /nfs/dbraw/zinc/49/00/37/1057490037.db2.gz DDKPVTCEZZDFKX-UHFFFAOYSA-N 1 0 320.436 4.227 20 30 DIEDRO C[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(C#N)cc1 ZINC000035256309 1057500460 /nfs/dbraw/zinc/50/04/60/1057500460.db2.gz URUYLJWJQQEYFG-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@]2(C)CCOc3ccccc32)cc1 ZINC000923026774 1057522423 /nfs/dbraw/zinc/52/24/23/1057522423.db2.gz XJDGTBMSWXTCCL-NRFANRHFSA-N 1 0 320.436 4.275 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccccc2Cl)CCCCC1 ZINC000625935444 1057540517 /nfs/dbraw/zinc/54/05/17/1057540517.db2.gz AHZIYKCGTILAAS-UHFFFAOYSA-N 1 0 306.837 4.147 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000429427777 1057547882 /nfs/dbraw/zinc/54/78/82/1057547882.db2.gz HYFCCNUQYSKCKQ-UONOGXRCSA-N 1 0 314.816 4.330 20 30 DIEDRO CCC[N@H+](Cc1cc(C#N)cs1)Cc1ccc(OC)cc1 ZINC000611255673 1057587810 /nfs/dbraw/zinc/58/78/10/1057587810.db2.gz NBLLQDDWRLFQJB-UHFFFAOYSA-N 1 0 300.427 4.041 20 30 DIEDRO CSc1ccc(OCC[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000611387676 1057594103 /nfs/dbraw/zinc/59/41/03/1057594103.db2.gz RYDLORNUHYCGLE-CQSZACIVSA-N 1 0 312.438 4.010 20 30 DIEDRO COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392981 1057595170 /nfs/dbraw/zinc/59/51/70/1057595170.db2.gz AIAIQEFXEDDPRX-UGSOOPFHSA-N 1 0 324.399 4.434 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccc(F)cc1F ZINC000611392875 1057595343 /nfs/dbraw/zinc/59/53/43/1057595343.db2.gz RPMJVRKLDMVISJ-LJQANCHMSA-N 1 0 312.363 4.046 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCOc2ccccc21 ZINC000611392836 1057595419 /nfs/dbraw/zinc/59/54/19/1057595419.db2.gz OTNLYJLUZCRPGK-XLIONFOSSA-N 1 0 318.420 4.092 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCCCO1 ZINC000611394268 1057596779 /nfs/dbraw/zinc/59/67/79/1057596779.db2.gz AKMIJEYSZNBZEO-RTBURBONSA-N 1 0 312.457 4.121 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000611394757 1057597018 /nfs/dbraw/zinc/59/70/18/1057597018.db2.gz ZXRJTVFYXNBWIN-MJGOQNOKSA-N 1 0 310.441 4.017 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)ccn1 ZINC000611402909 1057597108 /nfs/dbraw/zinc/59/71/08/1057597108.db2.gz ACSWCDQTDFMXRF-LJQANCHMSA-N 1 0 309.388 4.113 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000611395775 1057597353 /nfs/dbraw/zinc/59/73/53/1057597353.db2.gz SXWLWTCCKXHUNB-IBGZPJMESA-N 1 0 306.409 4.198 20 30 DIEDRO CC(C)(C)[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(F)cc1F ZINC000611403811 1057597552 /nfs/dbraw/zinc/59/75/52/1057597552.db2.gz LSORUXJUPRBJKE-QGZVFWFLSA-N 1 0 315.367 4.108 20 30 DIEDRO COc1ccc(CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391074 1057598393 /nfs/dbraw/zinc/59/83/93/1057598393.db2.gz QGPVVRLWMSWXAG-NRFANRHFSA-N 1 0 320.436 4.167 20 30 DIEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611434121 1057598866 /nfs/dbraw/zinc/59/88/66/1057598866.db2.gz PADNPMBSGUBUBL-NXOUGTEYSA-N 1 0 311.816 4.094 20 30 DIEDRO CC(C)Cc1ccc([C@@H]([NH2+]Cc2ccnc(C#N)c2)C2CC2)cc1 ZINC000611433572 1057598877 /nfs/dbraw/zinc/59/88/77/1057598877.db2.gz QHULRXWUCNXJHK-OAQYLSRUSA-N 1 0 319.452 4.393 20 30 DIEDRO C[N@H+](CCC(C)(C)C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611462487 1057600598 /nfs/dbraw/zinc/60/05/98/1057600598.db2.gz HSAZLPYAHJXJJI-MSOLQXFVSA-N 1 0 300.446 4.026 20 30 DIEDRO CC(C)OC1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000611465903 1057601304 /nfs/dbraw/zinc/60/13/04/1057601304.db2.gz GHEKSKDUNVIEGK-NVPAJSRCSA-N 1 0 304.409 4.084 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CSCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000611465600 1057601464 /nfs/dbraw/zinc/60/14/64/1057601464.db2.gz ROVMHAYBGRQYNS-KPZWWZAWSA-N 1 0 312.413 4.336 20 30 DIEDRO Cc1csc(C2([NH2+][C@H]3CCCc4cc(C#N)ccc43)CCC2)n1 ZINC000611471337 1057602338 /nfs/dbraw/zinc/60/23/38/1057602338.db2.gz UZYYVNLCHPVAQV-KRWDZBQOSA-N 1 0 323.465 4.370 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1(c2ccccc2F)CC1 ZINC000611474744 1057602744 /nfs/dbraw/zinc/60/27/44/1057602744.db2.gz GTRLJSYLTYYWKN-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO COCC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000611521844 1057604979 /nfs/dbraw/zinc/60/49/79/1057604979.db2.gz CSIACZZQNIFRLC-RBUKOAKNSA-N 1 0 324.424 4.205 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)cc2CO)cc1 ZINC001243253114 1057621681 /nfs/dbraw/zinc/62/16/81/1057621681.db2.gz SYOYBBYYIWIVND-OAQYLSRUSA-N 1 0 323.436 4.177 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ncnc2cc(C#N)ccc21 ZINC001243334529 1057650134 /nfs/dbraw/zinc/65/01/34/1057650134.db2.gz GAQAVWBUHMRDNS-UHFFFAOYSA-N 1 0 316.408 4.010 20 30 DIEDRO CC[NH+](CC)Cc1cncc(-c2ccc(C3(C#N)CC3)cc2)c1 ZINC001243422156 1057679126 /nfs/dbraw/zinc/67/91/26/1057679126.db2.gz IHTZWUMULBJPMR-UHFFFAOYSA-N 1 0 305.425 4.146 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000730019848 1057701714 /nfs/dbraw/zinc/70/17/14/1057701714.db2.gz SOGFFAGRTQWPQJ-UHFFFAOYSA-N 1 0 320.480 4.484 20 30 DIEDRO N#CCOc1ccc(-c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001243590990 1057725952 /nfs/dbraw/zinc/72/59/52/1057725952.db2.gz RRRRUSWQAWTWKG-UHFFFAOYSA-N 1 0 306.409 4.242 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2ccc(OCC#N)cc2)c1F ZINC001243591486 1057726582 /nfs/dbraw/zinc/72/65/82/1057726582.db2.gz HGPKUSNCACXHFW-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO CCCCCCCCCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730905782 1057727642 /nfs/dbraw/zinc/72/76/42/1057727642.db2.gz SYPAPOCNXFAUST-SFHVURJKSA-N 1 0 323.525 4.007 20 30 DIEDRO Cc1ccccc1C[N@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000731212049 1057737389 /nfs/dbraw/zinc/73/73/89/1057737389.db2.gz PSPHDEIXMFAMME-UHFFFAOYSA-N 1 0 306.409 4.062 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1(C)CC1 ZINC000731360998 1057742201 /nfs/dbraw/zinc/74/22/01/1057742201.db2.gz UUGMQWSUKCTRIN-INIZCTEOSA-N 1 0 320.436 4.415 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(F)cc3OCC#N)cc2)CC1 ZINC001243650978 1057743654 /nfs/dbraw/zinc/74/36/54/1057743654.db2.gz FCUIHQXWQHKDOO-UHFFFAOYSA-N 1 0 324.399 4.204 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3cc(C4(C#N)CC4)ccn3)cc2)CC1 ZINC001243653432 1057744361 /nfs/dbraw/zinc/74/43/61/1057744361.db2.gz WKZWMVDHEPSHRD-UHFFFAOYSA-N 1 0 317.436 4.113 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(F)c(CC#N)c3)cc2)CC1 ZINC001243655442 1057745077 /nfs/dbraw/zinc/74/50/77/1057745077.db2.gz ZIQKFPKCVYOCQJ-UHFFFAOYSA-N 1 0 308.400 4.368 20 30 DIEDRO Cc1cc(-c2ccc(C3CC[NH+](C)CC3)cc2)cc(F)c1C#N ZINC001243656208 1057745823 /nfs/dbraw/zinc/74/58/23/1057745823.db2.gz APVLWERSMPXIML-UHFFFAOYSA-N 1 0 308.400 4.482 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(OCCC#N)cc3)cc2)CC1 ZINC001243658064 1057746388 /nfs/dbraw/zinc/74/63/88/1057746388.db2.gz QEQPVLIFMWCZDP-UHFFFAOYSA-N 1 0 320.436 4.455 20 30 DIEDRO Oc1ccccc1/C=N/C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000731936952 1057761674 /nfs/dbraw/zinc/76/16/74/1057761674.db2.gz CWUOPZSUOUPLTI-JJPOQTHGSA-N 1 0 320.436 4.007 20 30 DIEDRO C=CC1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC1 ZINC000732205929 1057770597 /nfs/dbraw/zinc/77/05/97/1057770597.db2.gz IXACFLVRBXKYIL-UHFFFAOYSA-N 1 0 315.848 4.232 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c1O ZINC000732467412 1057775711 /nfs/dbraw/zinc/77/57/11/1057775711.db2.gz UZAIEDHWWMZGMC-HNNXBMFYSA-N 1 0 323.436 4.249 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(CCO)cc2)cc1 ZINC001243852018 1057792914 /nfs/dbraw/zinc/79/29/14/1057792914.db2.gz OJXQGWUSWFJNTK-OAQYLSRUSA-N 1 0 307.437 4.211 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000733322140 1057811983 /nfs/dbraw/zinc/81/19/83/1057811983.db2.gz NIFPFKRPHSFBLS-GOSISDBHSA-N 1 0 307.437 4.200 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000733325044 1057812979 /nfs/dbraw/zinc/81/29/79/1057812979.db2.gz UHRKKSCDASGACC-BEFAXECRSA-N 1 0 309.409 4.095 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)cc1 ZINC000733324744 1057813303 /nfs/dbraw/zinc/81/33/03/1057813303.db2.gz ADXWYALKHWNHCG-IBGZPJMESA-N 1 0 323.436 4.403 20 30 DIEDRO COc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c(C)c1C ZINC001244001881 1057834857 /nfs/dbraw/zinc/83/48/57/1057834857.db2.gz JSXKXNWQIDSKOG-UHFFFAOYSA-N 1 0 320.436 4.124 20 30 DIEDRO N#CC1(c2cccc(-c3cc(N4CCCCC4)cc[nH+]3)c2)CC1 ZINC001244074567 1057858914 /nfs/dbraw/zinc/85/89/14/1057858914.db2.gz GREIQZJTDHPRMG-UHFFFAOYSA-N 1 0 303.409 4.294 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1c1ccc(-c2cccc(C3(C#N)CC3)c2)nc1 ZINC001244074110 1057859355 /nfs/dbraw/zinc/85/93/55/1057859355.db2.gz LNNDMVBWHYBAIQ-FQEVSTJZSA-N 1 0 317.436 4.461 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(N)c(C#N)c2)nc1 ZINC001244112765 1057872978 /nfs/dbraw/zinc/87/29/78/1057872978.db2.gz RMXZZDXICDNOKG-HXUWFJFHSA-N 1 0 320.440 4.139 20 30 DIEDRO Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cn2)cc1C#N ZINC001244481314 1057971896 /nfs/dbraw/zinc/97/18/96/1057971896.db2.gz AHPMTERILIAPAU-INIZCTEOSA-N 1 0 305.425 4.303 20 30 DIEDRO N#Cc1ccc(F)c(-c2ccc(F)c(C[NH+]3CCCCC3)c2)c1 ZINC001244557812 1057995547 /nfs/dbraw/zinc/99/55/47/1057995547.db2.gz AOZPPELOXZEAGV-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1cc(C#N)ccc1F ZINC001244557990 1057995580 /nfs/dbraw/zinc/99/55/80/1057995580.db2.gz FGKNBMGRRQPQAJ-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(OC)c(C#N)c1 ZINC001244710537 1058032489 /nfs/dbraw/zinc/03/24/89/1058032489.db2.gz IDSFAKIBGDYYBV-UHFFFAOYSA-N 1 0 324.424 4.084 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC001244709521 1058032594 /nfs/dbraw/zinc/03/25/94/1058032594.db2.gz YPIAYSVZSHRIII-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(OC)c(C#N)c2)c1 ZINC001244710799 1058033464 /nfs/dbraw/zinc/03/34/64/1058033464.db2.gz NRTVIAMAESFMDX-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC001244735081 1058036777 /nfs/dbraw/zinc/03/67/77/1058036777.db2.gz JYEIPGRCSAESQQ-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO C[NH2+]Cc1cccc(-c2ccc(CC#N)c(C(F)(F)F)c2)c1F ZINC001244861407 1058059476 /nfs/dbraw/zinc/05/94/76/1058059476.db2.gz CSLCZPMQGSSIPT-UHFFFAOYSA-N 1 0 322.305 4.297 20 30 DIEDRO CCc1cc(-c2ccc([C@H]3CCCC[N@@H+]3C)cn2)ccc1C#N ZINC001244952324 1058079851 /nfs/dbraw/zinc/07/98/51/1058079851.db2.gz OBNSOINMNKOUCQ-HXUWFJFHSA-N 1 0 305.425 4.339 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cccc(C#N)c2F)ccc1F ZINC001245072332 1058107200 /nfs/dbraw/zinc/10/72/00/1058107200.db2.gz HMOORIXFAFDNKC-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C=CCc1cc(C)cnc1-c1ccc(OCCC[NH+](C)C)cc1 ZINC001245335571 1058145743 /nfs/dbraw/zinc/14/57/43/1058145743.db2.gz FVZZVNDZCPHLRM-UHFFFAOYSA-N 1 0 310.441 4.116 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2ccccc2CS)cc1 ZINC001245338363 1058146355 /nfs/dbraw/zinc/14/63/55/1058146355.db2.gz BLUFEFIGNKYWQH-UHFFFAOYSA-N 1 0 301.455 4.114 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2ccc(CCC#N)cc2)cc1 ZINC001245337167 1058146440 /nfs/dbraw/zinc/14/64/40/1058146440.db2.gz YRXHZCLZEGCTKE-UHFFFAOYSA-N 1 0 308.425 4.140 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2cccc(CS)c2)cc1 ZINC001245340404 1058146844 /nfs/dbraw/zinc/14/68/44/1058146844.db2.gz BZPAVNIKUYSKHR-UHFFFAOYSA-N 1 0 301.455 4.114 20 30 DIEDRO Cc1cc(-c2ccc(OCCC[NH+](C)C)cc2)ccc1CC#N ZINC001245339225 1058147054 /nfs/dbraw/zinc/14/70/54/1058147054.db2.gz LQNTWEBSWZSTHI-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO N#Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)ncc1C(F)(F)F ZINC001245347003 1058149031 /nfs/dbraw/zinc/14/90/31/1058149031.db2.gz RCAAVMXTNZTGKT-OAHLLOKOSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1cnc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc1C(F)(F)F ZINC001245347119 1058149059 /nfs/dbraw/zinc/14/90/59/1058149059.db2.gz RVILHQBRRPSQGZ-HNNXBMFYSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1ncc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc1C(F)(F)F ZINC001245352449 1058150551 /nfs/dbraw/zinc/15/05/51/1058150551.db2.gz XOEBRPPGHCTHNH-OAHLLOKOSA-N 1 0 317.314 4.064 20 30 DIEDRO N#CCCc1cccc(-c2ccc(COC3CC[NH2+]CC3)cc2)c1 ZINC001245410619 1058161979 /nfs/dbraw/zinc/16/19/79/1058161979.db2.gz OYUZUJRQJYGXNL-UHFFFAOYSA-N 1 0 320.436 4.078 20 30 DIEDRO N#Cc1cc2ccc(C3=CC[C@H]([NH+]4CCOCC4)CC3)cc2s1 ZINC001245427721 1058164448 /nfs/dbraw/zinc/16/44/48/1058164448.db2.gz XRADFVXJOZLBEL-KRWDZBQOSA-N 1 0 324.449 4.041 20 30 DIEDRO N#Cc1ccc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001245498273 1058185393 /nfs/dbraw/zinc/18/53/93/1058185393.db2.gz AHUVLJWHBVMBOD-PMACEKPBSA-N 1 0 306.409 4.012 20 30 DIEDRO N#CC1(c2ccccc2-c2cc3ccc(F)cc3[nH]2)CC[NH2+]CC1 ZINC001245590318 1058262147 /nfs/dbraw/zinc/26/21/47/1058262147.db2.gz LEXKHSQCRNBPOL-UHFFFAOYSA-N 1 0 319.383 4.119 20 30 DIEDRO Cc1ccc(C#N)c(-c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001245603907 1058280870 /nfs/dbraw/zinc/28/08/70/1058280870.db2.gz NZZAECVPVKPRFD-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC000527937350 1058507733 /nfs/dbraw/zinc/50/77/33/1058507733.db2.gz SVFTUONBDDRROS-UHFFFAOYSA-N 1 0 316.420 4.141 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)NCC1(C2CCCCC2)CCCCC1 ZINC001556050131 1058536179 /nfs/dbraw/zinc/53/61/79/1058536179.db2.gz NPGKWRDPDBVPBL-UHFFFAOYSA-N 1 0 320.521 4.141 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)NC(=O)C3)cc1 ZINC001245894228 1058602838 /nfs/dbraw/zinc/60/28/38/1058602838.db2.gz ZMCLQGPWSXFBJN-HXUWFJFHSA-N 1 0 318.420 4.171 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@H+](CC)C[C@H]1C ZINC001556564366 1058613514 /nfs/dbraw/zinc/61/35/14/1058613514.db2.gz MDERIRZTXWGXQF-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CC1(CC(=O)Nc2ccc(CC[NH+](C)C)cc2)CCCCC1 ZINC001520472706 1058621205 /nfs/dbraw/zinc/62/12/05/1058621205.db2.gz BFBPUWAKGNFVEP-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO CCCCCCCC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC001529221841 1058646597 /nfs/dbraw/zinc/64/65/97/1058646597.db2.gz QNBCTDSHQROHFV-FXAWDEMLSA-N 1 0 318.505 4.463 20 30 DIEDRO CCCCCCCC[C@@H](O)CNc1ccc(C(C)(C)C[NH3+])cc1 ZINC001245959818 1058648973 /nfs/dbraw/zinc/64/89/73/1058648973.db2.gz LCUWBGAABRHVJE-LJQANCHMSA-N 1 0 320.521 4.446 20 30 DIEDRO CCCCCCCC[C@@H](O)CNc1cc([C@@H]2CCCC[NH2+]2)no1 ZINC001245959653 1058649912 /nfs/dbraw/zinc/64/99/12/1058649912.db2.gz VNSWIMWFXTVZNQ-CVEARBPZSA-N 1 0 323.481 4.013 20 30 DIEDRO CCCCCCCCCC[C@@H](O)CNc1cccc(C[NH3+])c1 ZINC001245964086 1058650381 /nfs/dbraw/zinc/65/03/81/1058650381.db2.gz UEDOLPKSHGVMSN-LJQANCHMSA-N 1 0 306.494 4.449 20 30 DIEDRO C=CCCCCCC[C@H](O)CNc1cccc(C[NH2+]CC)c1 ZINC001245969245 1058653317 /nfs/dbraw/zinc/65/33/17/1058653317.db2.gz GJVXKKYKVYRKMM-IBGZPJMESA-N 1 0 304.478 4.096 20 30 DIEDRO CCCCCCC[NH2+][C@@]12CC[C@@](NC(=O)NC(C)C)(C1)CCC2 ZINC001278435159 1058733032 /nfs/dbraw/zinc/73/30/32/1058733032.db2.gz HIGNJXQGIDVZPM-RBUKOAKNSA-N 1 0 323.525 4.099 20 30 DIEDRO C#Cc1ccc(CN2CC3(C2)C[NH+](C[C@H](CC)CCCC)C3)cc1 ZINC001278436804 1058749450 /nfs/dbraw/zinc/74/94/50/1058749450.db2.gz WGOPAZAVUKUKSM-HXUWFJFHSA-N 1 0 324.512 4.002 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001557510305 1058762799 /nfs/dbraw/zinc/76/27/99/1058762799.db2.gz RYDBVOPGLDNIFV-ZWKOTPCHSA-N 1 0 310.526 4.221 20 30 DIEDRO CCCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H](N)COC ZINC001246242170 1058764092 /nfs/dbraw/zinc/76/40/92/1058764092.db2.gz XOAPRRNRGOXMQJ-QZTJIDSGSA-N 1 0 300.531 4.249 20 30 DIEDRO CCCCCCCCC(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001557679856 1058784751 /nfs/dbraw/zinc/78/47/51/1058784751.db2.gz WSRMCGCQRNPAPR-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001278439725 1058787400 /nfs/dbraw/zinc/78/74/00/1058787400.db2.gz IUMWWQCBAIUYAO-KDURUIRLSA-N 1 0 303.494 4.024 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246317949 1058830819 /nfs/dbraw/zinc/83/08/19/1058830819.db2.gz PFDRYNMREBVKAL-KSZLIROESA-N 1 0 316.489 4.213 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCNC[C@@H]1C(F)(F)F ZINC001246339280 1058847036 /nfs/dbraw/zinc/84/70/36/1058847036.db2.gz CXGVBZCXOKZOAH-SOUVJXGZSA-N 1 0 308.432 4.256 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2 ZINC001246389758 1058892781 /nfs/dbraw/zinc/89/27/81/1058892781.db2.gz NLILJGGREDXIRK-HAGHYFMRSA-N 1 0 324.553 4.405 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2 ZINC001246391000 1058897207 /nfs/dbraw/zinc/89/72/07/1058897207.db2.gz QPQAHCFTLOPJIJ-OKYOBFRVSA-N 1 0 310.526 4.015 20 30 DIEDRO Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CCCCCCS)CCN1 ZINC001246461484 1058948331 /nfs/dbraw/zinc/94/83/31/1058948331.db2.gz BQWFTUNDGOTXFY-SJLPKXTDSA-N 1 0 324.509 4.007 20 30 DIEDRO Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CCCCCCS)CCN1 ZINC001246461482 1058949837 /nfs/dbraw/zinc/94/98/37/1058949837.db2.gz BQWFTUNDGOTXFY-FUHWJXTLSA-N 1 0 324.509 4.007 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC001559064545 1058962021 /nfs/dbraw/zinc/96/20/21/1058962021.db2.gz SKVBEIFAOGORJP-SFHVURJKSA-N 1 0 317.433 4.014 20 30 DIEDRO C[NH+](C)[C@@H](CNc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC001559123727 1059012367 /nfs/dbraw/zinc/01/23/67/1059012367.db2.gz MJBGDGFXMAFALX-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246706146 1059067993 /nfs/dbraw/zinc/06/79/93/1059067993.db2.gz QKEYGLBFXUJDJL-QGZVFWFLSA-N 1 0 321.509 4.110 20 30 DIEDRO CC(C)(C)[C@H]1C[C@H](N(CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771238 1059071870 /nfs/dbraw/zinc/07/18/70/1059071870.db2.gz XAXZNCNMGFEEGW-RTBURBONSA-N 1 0 319.537 4.482 20 30 DIEDRO C=CCn1c2ccccc2nc1SCCC[NH+]1CCCCC1 ZINC001559316314 1059157579 /nfs/dbraw/zinc/15/75/79/1059157579.db2.gz BFRZURCLMALUDQ-UHFFFAOYSA-N 1 0 315.486 4.190 20 30 DIEDRO CCCCCCCCCCC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC001530893365 1059177555 /nfs/dbraw/zinc/17/75/55/1059177555.db2.gz XRUNSTYHUDQKMT-FGTMMUONSA-N 1 0 310.526 4.457 20 30 DIEDRO CCCCCCC[C@H](C)N(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246965399 1059214373 /nfs/dbraw/zinc/21/43/73/1059214373.db2.gz USOGZSLQQCTWAS-ICSRJNTNSA-N 1 0 317.521 4.385 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978595 1059225351 /nfs/dbraw/zinc/22/53/51/1059225351.db2.gz WKKUEOFZLCRNBR-XJKSGUPXSA-N 1 0 312.379 4.006 20 30 DIEDRO Cc1cccc(OCC[N@@H+](C)Cc2ccccc2C(C)(C)C#N)c1 ZINC001559488082 1059261832 /nfs/dbraw/zinc/26/18/32/1059261832.db2.gz WUFWMDAIUGYIJR-UHFFFAOYSA-N 1 0 322.452 4.307 20 30 DIEDRO C=CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC001559493021 1059270463 /nfs/dbraw/zinc/27/04/63/1059270463.db2.gz MOLLOIYKKQHUSO-YLJYHZDGSA-N 1 0 317.473 4.279 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001559494236 1059274046 /nfs/dbraw/zinc/27/40/46/1059274046.db2.gz ZVGYKVNSQGLSPR-TVPLGVNVSA-N 1 0 300.421 4.163 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001559498897 1059277888 /nfs/dbraw/zinc/27/78/88/1059277888.db2.gz BZFDRZDNJRLLCC-JOCHJYFZSA-N 1 0 318.464 4.184 20 30 DIEDRO COCC[N@H+](CCc1ccccc1)CCC1(C#N)CCCCC1 ZINC001559503107 1059286794 /nfs/dbraw/zinc/28/67/94/1059286794.db2.gz WJUKDTZWWFRVST-UHFFFAOYSA-N 1 0 314.473 4.042 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)c1ccccc1 ZINC001523568580 1059292277 /nfs/dbraw/zinc/29/22/77/1059292277.db2.gz ZRBIQGROUCFZSY-HNNXBMFYSA-N 1 0 308.425 4.179 20 30 DIEDRO C=CC1(CC(=O)NCCCCC[NH+]2CCCCC2)CCCCC1 ZINC001531482905 1059330242 /nfs/dbraw/zinc/33/02/42/1059330242.db2.gz IOZWQBNHWPOKIE-UHFFFAOYSA-N 1 0 320.521 4.285 20 30 DIEDRO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CCCCC1 ZINC001559540074 1059340040 /nfs/dbraw/zinc/34/00/40/1059340040.db2.gz UHMPTEJUDXWHQW-UHFFFAOYSA-N 1 0 318.417 4.172 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001559566767 1059394300 /nfs/dbraw/zinc/39/43/00/1059394300.db2.gz NFRHULACKOQOOM-FOIQADDNSA-N 1 0 311.375 4.399 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC001559570708 1059401613 /nfs/dbraw/zinc/40/16/13/1059401613.db2.gz ZVDAUXJTEHAFBJ-RDTXWAMCSA-N 1 0 324.424 4.442 20 30 DIEDRO CCC[N@H+](CC1(C#N)CC1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001559574399 1059405830 /nfs/dbraw/zinc/40/58/30/1059405830.db2.gz YOUZLYMECGBEQG-IRXDYDNUSA-N 1 0 304.478 4.130 20 30 DIEDRO CC(C)CCC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC001559601460 1059434344 /nfs/dbraw/zinc/43/43/44/1059434344.db2.gz BRUAEYNTSLNGEW-UHFFFAOYSA-N 1 0 314.473 4.475 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCC1(C#N)CCCCC1 ZINC001559612542 1059443702 /nfs/dbraw/zinc/44/37/02/1059443702.db2.gz VZEDGKVPSJFBQJ-IAGOWNOFSA-N 1 0 306.494 4.376 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC001559624980 1059452423 /nfs/dbraw/zinc/45/24/23/1059452423.db2.gz YOCPTJJPHIJPME-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559626467 1059456185 /nfs/dbraw/zinc/45/61/85/1059456185.db2.gz UGHJVMYKCHZTIG-IRXDYDNUSA-N 1 0 324.509 4.358 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(Cc2c(C)noc2C)CC1 ZINC001559630054 1059457665 /nfs/dbraw/zinc/45/76/65/1059457665.db2.gz DAHNRTQUQHAUPB-UHFFFAOYSA-N 1 0 321.509 4.160 20 30 DIEDRO Fc1ccc(C#CC[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC001559634035 1059461621 /nfs/dbraw/zinc/46/16/21/1059461621.db2.gz HKWOAWDTRNKYAV-UHFFFAOYSA-N 1 0 311.375 4.375 20 30 DIEDRO CC#CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC001559673993 1059498607 /nfs/dbraw/zinc/49/86/07/1059498607.db2.gz ANQPICNWEUEKGU-SFTDATJTSA-N 1 0 305.421 4.249 20 30 DIEDRO C[N@H+](CCCCC1(C#N)CCC1)Cc1cc(F)c(F)c(F)c1 ZINC001559678106 1059505926 /nfs/dbraw/zinc/50/59/26/1059505926.db2.gz RIBJDOMSYYHYLA-UHFFFAOYSA-N 1 0 310.363 4.400 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1cc(Cl)ccc1F ZINC001559681072 1059510574 /nfs/dbraw/zinc/51/05/74/1059510574.db2.gz VKKPMLNWDJLLQZ-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C#CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@@H]1C ZINC001559688075 1059517679 /nfs/dbraw/zinc/51/76/79/1059517679.db2.gz GFFJTVCXCRBSJA-WMZOPIPTSA-N 1 0 315.457 4.108 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001559701171 1059529277 /nfs/dbraw/zinc/52/92/77/1059529277.db2.gz NZCJERLPCIUZEG-QZTJIDSGSA-N 1 0 307.865 4.488 20 30 DIEDRO C#CC[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)c1ccccc1 ZINC001559702672 1059529452 /nfs/dbraw/zinc/52/94/52/1059529452.db2.gz YIRFKVPYWWGVLZ-PCCBWWKXSA-N 1 0 305.421 4.261 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1Oc1ccccc1 ZINC001559710370 1059539843 /nfs/dbraw/zinc/53/98/43/1059539843.db2.gz HKCHGTGNRNKCEY-IAGOWNOFSA-N 1 0 311.425 4.457 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001559762394 1059597581 /nfs/dbraw/zinc/59/75/81/1059597581.db2.gz LZCCJUBLZHINIF-IAGOWNOFSA-N 1 0 307.890 4.345 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(F)c(F)c1 ZINC001559767316 1059603620 /nfs/dbraw/zinc/60/36/20/1059603620.db2.gz XMGGOGOYQJUPES-QZDOHJIMSA-N 1 0 313.338 4.463 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1(CC)CC ZINC001559774797 1059611877 /nfs/dbraw/zinc/61/18/77/1059611877.db2.gz FTKCVHUZCDPTQP-MSOLQXFVSA-N 1 0 319.876 4.265 20 30 DIEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001559797335 1059631599 /nfs/dbraw/zinc/63/15/99/1059631599.db2.gz NKNCYYQPRBEKNF-GFCCVEGCSA-N 1 0 302.215 4.056 20 30 DIEDRO CCCCCCCc1ccc(-c2noc(C3(C)C[NH2+]C3)n2)cc1 ZINC001247805588 1059635693 /nfs/dbraw/zinc/63/56/93/1059635693.db2.gz NQDKDJICTOJGLO-UHFFFAOYSA-N 1 0 313.445 4.110 20 30 DIEDRO C#CCOCC[N@@H+](C)[C@H](c1ccc(Cl)cc1)C(CC)CC ZINC001559802972 1059638238 /nfs/dbraw/zinc/63/82/38/1059638238.db2.gz RBNFKYOPAWUWCT-SFHVURJKSA-N 1 0 307.865 4.399 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001559873403 1059691399 /nfs/dbraw/zinc/69/13/99/1059691399.db2.gz QLMVUWRPTJXXMN-MOPGFXCFSA-N 1 0 307.453 4.147 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC001559879781 1059698662 /nfs/dbraw/zinc/69/86/62/1059698662.db2.gz QOPWOMYVFPOKCY-YOEHRIQHSA-N 1 0 300.446 4.213 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001559898418 1059711977 /nfs/dbraw/zinc/71/19/77/1059711977.db2.gz XDINHRLDWMKDDT-OAHLLOKOSA-N 1 0 315.819 4.394 20 30 DIEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001559903936 1059720537 /nfs/dbraw/zinc/72/05/37/1059720537.db2.gz RQUHJOMORNEWCO-LLVKDONJSA-N 1 0 307.235 4.084 20 30 DIEDRO C[N@H+](Cc1cncc(C#N)c1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001559911969 1059729634 /nfs/dbraw/zinc/72/96/34/1059729634.db2.gz QJISKVKAVZEGST-VQTJNVASSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@H](c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1)[NH+]1CCCC1 ZINC001248122667 1059736469 /nfs/dbraw/zinc/73/64/69/1059736469.db2.gz NUSLDLOVRVYQOS-CYBMUJFWSA-N 1 0 324.428 4.063 20 30 DIEDRO C=CCCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC001559926257 1059740757 /nfs/dbraw/zinc/74/07/57/1059740757.db2.gz MQJAKGYKBWNLMV-BBWFWOEESA-N 1 0 324.509 4.214 20 30 DIEDRO CCCCCCCc1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC001248184309 1059747986 /nfs/dbraw/zinc/74/79/86/1059747986.db2.gz LSRMFHJVSSTNTD-KRWDZBQOSA-N 1 0 313.445 4.326 20 30 DIEDRO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001559934338 1059748590 /nfs/dbraw/zinc/74/85/90/1059748590.db2.gz LVZNMHZTEJGBNN-SFHVURJKSA-N 1 0 314.429 4.356 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)c([N+](=O)[O-])c1 ZINC001559952165 1059761011 /nfs/dbraw/zinc/76/10/11/1059761011.db2.gz BPJAYGSSTSJICD-QGZVFWFLSA-N 1 0 313.401 4.011 20 30 DIEDRO CCCCCCCOc1ccc(-c2noc([C@H]3CC[NH2+]3)n2)cc1 ZINC001248284266 1059768908 /nfs/dbraw/zinc/76/89/08/1059768908.db2.gz KFDUMNTXMJCGLJ-MRXNPFEDSA-N 1 0 315.417 4.120 20 30 DIEDRO CCCCCCCc1ccc(-c2noc([C@H]3CC[C@@H]3[NH3+])n2)cc1 ZINC001248328067 1059783126 /nfs/dbraw/zinc/78/31/26/1059783126.db2.gz XRXIIBQAULGULB-IRXDYDNUSA-N 1 0 313.445 4.454 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC001559983489 1059789906 /nfs/dbraw/zinc/78/99/06/1059789906.db2.gz SIOQIAVUXSSJAU-AWEZNQCLSA-N 1 0 304.821 4.030 20 30 DIEDRO C[N@H+](CCOc1ccccc1C#N)C1CC(C)(C)CC(C)(C)C1 ZINC001559984520 1059791397 /nfs/dbraw/zinc/79/13/97/1059791397.db2.gz HILUUMMSCNCTQZ-UHFFFAOYSA-N 1 0 314.473 4.474 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC001559992765 1059796683 /nfs/dbraw/zinc/79/66/83/1059796683.db2.gz HTVBGFUEWHYAMI-GUYCJALGSA-N 1 0 321.848 4.351 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC001559992321 1059796914 /nfs/dbraw/zinc/79/69/14/1059796914.db2.gz WVDDSOAMJGKGOF-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)CCc2ccccc21 ZINC001559989939 1059798743 /nfs/dbraw/zinc/79/87/43/1059798743.db2.gz CBUBOSZQYXNCJM-UHFFFAOYSA-N 1 0 307.412 4.013 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC001559995094 1059800522 /nfs/dbraw/zinc/80/05/22/1059800522.db2.gz SUTBSAWMPFHIDG-UHFFFAOYSA-N 1 0 319.518 4.492 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001559993702 1059803783 /nfs/dbraw/zinc/80/37/83/1059803783.db2.gz FRYMYQBQMMFJRY-RHSMWYFYSA-N 1 0 321.848 4.351 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OCc2cccnc2)cc1)C(C)(C)C ZINC001560005412 1059813815 /nfs/dbraw/zinc/81/38/15/1059813815.db2.gz JUEBALZOKOXNJN-UHFFFAOYSA-N 1 0 310.441 4.447 20 30 DIEDRO C[C@H]1CCC[C@H](CC[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC001560026009 1059838210 /nfs/dbraw/zinc/83/82/10/1059838210.db2.gz VIEPMAWKCWFKCX-DLBZAZTESA-N 1 0 311.473 4.349 20 30 DIEDRO CC1(C)C[N@H+](CCCCC#N)C(C)(C)CN1Cc1ccccc1 ZINC001560032507 1059844426 /nfs/dbraw/zinc/84/44/26/1059844426.db2.gz JJPWBJNOEBERFQ-UHFFFAOYSA-N 1 0 313.489 4.055 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC001560036262 1059851954 /nfs/dbraw/zinc/85/19/54/1059851954.db2.gz XRGVPUNYAWZFMO-UHFFFAOYSA-N 1 0 319.452 4.197 20 30 DIEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC001560079914 1059890803 /nfs/dbraw/zinc/89/08/03/1059890803.db2.gz LXQDGWDNSNRFSW-LJQANCHMSA-N 1 0 317.860 4.115 20 30 DIEDRO C#CC1CC[NH+](Cc2cc(OC(C)C)cc(OC(C)C)c2)CC1 ZINC001248660053 1059927310 /nfs/dbraw/zinc/92/73/10/1059927310.db2.gz IKUUKOPRSLAPSQ-UHFFFAOYSA-N 1 0 315.457 4.106 20 30 DIEDRO C[C@H](COCC1CCCCC1)[NH2+]CCC1(C#N)CCCCC1 ZINC001560160645 1059951823 /nfs/dbraw/zinc/95/18/23/1059951823.db2.gz BKVPINJXWVGRBM-QGZVFWFLSA-N 1 0 306.494 4.426 20 30 DIEDRO C#CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)C(C)(C)C ZINC001560156484 1059953817 /nfs/dbraw/zinc/95/38/17/1059953817.db2.gz PAQCTZSACAQSMT-UHFFFAOYSA-N 1 0 310.319 4.080 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CCCCC1 ZINC001560170483 1059962415 /nfs/dbraw/zinc/96/24/15/1059962415.db2.gz HRDVQUSPYOVWMO-UHFFFAOYSA-N 1 0 311.347 4.227 20 30 DIEDRO C#CC[N@H+](CCOCC1CCCC1)[C@H]1CCCc2ccccc21 ZINC001560171998 1059966400 /nfs/dbraw/zinc/96/64/00/1059966400.db2.gz LMIPGVHEUGYMKB-NRFANRHFSA-N 1 0 311.469 4.206 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1F)C1CCCCC1 ZINC001248757391 1059968092 /nfs/dbraw/zinc/96/80/92/1059968092.db2.gz ZRXCCUAPTYZACO-UHFFFAOYSA-N 1 0 307.409 4.164 20 30 DIEDRO C#CC[N@@H+](C[C@@H](OC)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001560171665 1059968155 /nfs/dbraw/zinc/96/81/55/1059968155.db2.gz BGRNFKSAXKZSCM-FGZHOGPDSA-N 1 0 319.448 4.387 20 30 DIEDRO CCN(CCC#N)Cc1cccc(Oc2ccccc2OC)c1 ZINC001248758818 1059969415 /nfs/dbraw/zinc/96/94/15/1059969415.db2.gz CKTKJNSKJXHUFX-UHFFFAOYSA-N 1 0 310.397 4.223 20 30 DIEDRO N#Cc1ccc([C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)cc1 ZINC001560182002 1059971478 /nfs/dbraw/zinc/97/14/78/1059971478.db2.gz BKDAHDCRQUVYFN-RTWAWAEBSA-N 1 0 318.420 4.009 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC001560188201 1059975786 /nfs/dbraw/zinc/97/57/86/1059975786.db2.gz JYONSFAFOWWDFN-YBNHLDJLSA-N 1 0 318.420 4.245 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC001560204684 1059984209 /nfs/dbraw/zinc/98/42/09/1059984209.db2.gz VHMRGUWMRBZGED-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2C#N)CC1 ZINC001560252206 1060018052 /nfs/dbraw/zinc/01/80/52/1060018052.db2.gz OZSIIOBQMKROBJ-CRAIPNDOSA-N 1 0 302.487 4.350 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1nc2cccc(Br)c2o1 ZINC001248852137 1060020484 /nfs/dbraw/zinc/02/04/84/1060020484.db2.gz PWAYWPZDPJRNCQ-UHFFFAOYSA-N 1 0 323.234 4.378 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC001560261272 1060030599 /nfs/dbraw/zinc/03/05/99/1060030599.db2.gz YWJUFDQLQHQPNE-WBVHZDCISA-N 1 0 303.446 4.317 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC001560261269 1060032496 /nfs/dbraw/zinc/03/24/96/1060032496.db2.gz YWJUFDQLQHQPNE-DOTOQJQBSA-N 1 0 303.446 4.317 20 30 DIEDRO CC(C)(C)c1cc(O)c(C[NH+]2CCC(CC#N)CC2)cc1Cl ZINC001248883620 1060038155 /nfs/dbraw/zinc/03/81/55/1060038155.db2.gz MFNLYFPQWZEYCP-UHFFFAOYSA-N 1 0 320.864 4.469 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)N[C@@H](C)CC)c2)C1 ZINC001560271982 1060044268 /nfs/dbraw/zinc/04/42/68/1060044268.db2.gz NCUPCEHCLAVYLJ-FRQCXROJSA-N 1 0 314.473 4.049 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)N[C@H](C)CC)c2)C1 ZINC001560271983 1060045285 /nfs/dbraw/zinc/04/52/85/1060045285.db2.gz NCUPCEHCLAVYLJ-GPMSIDNRSA-N 1 0 314.473 4.049 20 30 DIEDRO CC[C@H](C[NH2+]Cc1c(C)cc(C#N)cc1C)Oc1cccc(C)c1 ZINC001560272241 1060047869 /nfs/dbraw/zinc/04/78/69/1060047869.db2.gz ABHJIIDFQAMHNK-LJQANCHMSA-N 1 0 322.452 4.431 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001560277269 1060053198 /nfs/dbraw/zinc/05/31/98/1060053198.db2.gz MQRYTNIHWMKCIP-HIFRSBDPSA-N 1 0 313.363 4.419 20 30 DIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001560301178 1060086234 /nfs/dbraw/zinc/08/62/34/1060086234.db2.gz LFYXRMMNMHORNK-ZTFGCOKTSA-N 1 0 302.437 4.495 20 30 DIEDRO C=C(C[NH2+]Cc1cccc(F)c1Br)c1ccccc1 ZINC001560315251 1060101009 /nfs/dbraw/zinc/10/10/09/1060101009.db2.gz WQIZQLKLAQGKHV-UHFFFAOYSA-N 1 0 320.205 4.391 20 30 DIEDRO COc1ccc(C(C)(C)C[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC001560321248 1060107611 /nfs/dbraw/zinc/10/76/11/1060107611.db2.gz HEXXIWMWKXWCTC-UHFFFAOYSA-N 1 0 322.452 4.251 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)C1 ZINC001560325587 1060112533 /nfs/dbraw/zinc/11/25/33/1060112533.db2.gz ONSKAZXRUCGLFS-KGLIPLIRSA-N 1 0 313.363 4.419 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCNc2ccccc2)cc1Cl ZINC001560365020 1060151508 /nfs/dbraw/zinc/15/15/08/1060151508.db2.gz IJSHRCHZOOBFKZ-UHFFFAOYSA-N 1 0 316.832 4.107 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC001560396119 1060180983 /nfs/dbraw/zinc/18/09/83/1060180983.db2.gz NBMFZMRLVLOGMS-ZFWWWQNUSA-N 1 0 313.363 4.462 20 30 DIEDRO CC(C)(C)c1ccc(-c2noc([C@@H]3CCCCC[NH2+]3)n2)c(C#N)c1 ZINC001249192223 1060186088 /nfs/dbraw/zinc/18/60/88/1060186088.db2.gz ZPUAIVWZFLHKIF-INIZCTEOSA-N 1 0 324.428 4.110 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC001560405609 1060189492 /nfs/dbraw/zinc/18/94/92/1060189492.db2.gz IXJPQIVXNQZXTF-SFHVURJKSA-N 1 0 318.424 4.269 20 30 DIEDRO C=C1C[NH2+][C@](C)(c2nc(-c3ccc(-c4ccccc4)cc3)no2)C1 ZINC001249234788 1060195390 /nfs/dbraw/zinc/19/53/90/1060195390.db2.gz UTPJILXWKWHPGM-FQEVSTJZSA-N 1 0 317.392 4.168 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC2(C3CC3)CCC2)ccc1OC ZINC001560409285 1060195999 /nfs/dbraw/zinc/19/59/99/1060195999.db2.gz GBZYFGJQVWNUDP-UHFFFAOYSA-N 1 0 315.457 4.320 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCO[C@H](C(CC)CC)C2)c1 ZINC001560420591 1060204744 /nfs/dbraw/zinc/20/47/44/1060204744.db2.gz JCPCIAOGGMWAHO-ICSRJNTNSA-N 1 0 317.473 4.325 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)C[C@H]1C ZINC001560433903 1060219595 /nfs/dbraw/zinc/21/95/95/1060219595.db2.gz CUSRBFQBRHLMEL-JMSVASOKSA-N 1 0 321.262 4.235 20 30 DIEDRO CCOc1cc(F)cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC001560452054 1060241781 /nfs/dbraw/zinc/24/17/81/1060241781.db2.gz LHQYWBWIOAPVMO-UHFFFAOYSA-N 1 0 318.779 4.039 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC001560455420 1060244505 /nfs/dbraw/zinc/24/45/05/1060244505.db2.gz LJBMGSPQDLWWCA-XJKSGUPXSA-N 1 0 314.256 4.373 20 30 DIEDRO CC1(C)C[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)Cc2ccccc21 ZINC001249430142 1060246411 /nfs/dbraw/zinc/24/64/11/1060246411.db2.gz FYBVFVWIKUCPJX-UHFFFAOYSA-N 1 0 315.420 4.333 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)[nH]c2c1 ZINC001249429698 1060246764 /nfs/dbraw/zinc/24/67/64/1060246764.db2.gz MIPIPYSEOOHBLD-GOSISDBHSA-N 1 0 307.441 4.442 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429857 1060249581 /nfs/dbraw/zinc/24/95/81/1060249581.db2.gz SOAJTFDWSHQLMP-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C2CCC3(CC3)CC2)ccc1OC ZINC001560463725 1060255785 /nfs/dbraw/zinc/25/57/85/1060255785.db2.gz CMCPMSIOVNQVBJ-UHFFFAOYSA-N 1 0 315.457 4.463 20 30 DIEDRO C=CCC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCC1 ZINC001560471101 1060261579 /nfs/dbraw/zinc/26/15/79/1060261579.db2.gz FSQKJUDHWHVNPQ-UHFFFAOYSA-N 1 0 323.484 4.253 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC001560474874 1060264746 /nfs/dbraw/zinc/26/47/46/1060264746.db2.gz GSAGYVUSYREQBN-UHFFFAOYSA-N 1 0 305.315 4.069 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(C)(C)C ZINC001560477480 1060265951 /nfs/dbraw/zinc/26/59/51/1060265951.db2.gz NIBSUKXVLSOOOX-GOSISDBHSA-N 1 0 301.478 4.341 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC001560489617 1060282668 /nfs/dbraw/zinc/28/26/68/1060282668.db2.gz UWRUKJUQZZADME-BXUZGUMPSA-N 1 0 312.226 4.423 20 30 DIEDRO Cc1cc(C#N)cc(NCc2[nH+]c(C(C)C)n3ccccc23)c1 ZINC001560503732 1060298433 /nfs/dbraw/zinc/29/84/33/1060298433.db2.gz BEABLFSZIOCFOA-UHFFFAOYSA-N 1 0 304.397 4.250 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC001560511166 1060308738 /nfs/dbraw/zinc/30/87/38/1060308738.db2.gz BIKMRRGXHDQFKZ-UGUYLWEFSA-N 1 0 322.493 4.013 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+]Cc2ccc(CC#N)cc2)cc1C ZINC001560515294 1060312008 /nfs/dbraw/zinc/31/20/08/1060312008.db2.gz RRBODUFXKWHEKW-PLNGDYQASA-N 1 0 304.437 4.481 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2ccc(Cl)c3cccnc23)cc1 ZINC001560531605 1060334245 /nfs/dbraw/zinc/33/42/45/1060334245.db2.gz HGTNTWLZEQFDEL-UHFFFAOYSA-N 1 0 321.811 4.092 20 30 DIEDRO C=CCOCCC[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC001560534847 1060338931 /nfs/dbraw/zinc/33/89/31/1060338931.db2.gz VGRYVESNANSQLY-UHFFFAOYSA-N 1 0 305.418 4.237 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC001560538950 1060342793 /nfs/dbraw/zinc/34/27/93/1060342793.db2.gz JWHZEAAMFWTVHO-MRXNPFEDSA-N 1 0 323.436 4.427 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC001560555947 1060364158 /nfs/dbraw/zinc/36/41/58/1060364158.db2.gz JXYLDINEKDALDC-UHFFFAOYSA-N 1 0 314.432 4.365 20 30 DIEDRO C[NH+]1CCC(COc2ccccc2Nc2ccc(C#N)cc2)CC1 ZINC001249713291 1060365334 /nfs/dbraw/zinc/36/53/34/1060365334.db2.gz RCXCXNMQDGEEAM-UHFFFAOYSA-N 1 0 321.424 4.022 20 30 DIEDRO C[NH+]1CCC(COc2ccc(Nc3ccc(C#N)cc3)cc2)CC1 ZINC001249713027 1060365725 /nfs/dbraw/zinc/36/57/25/1060365725.db2.gz LQRCWTGIOKSMLC-UHFFFAOYSA-N 1 0 321.424 4.022 20 30 DIEDRO C#Cc1ccc(CNc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001560568147 1060378138 /nfs/dbraw/zinc/37/81/38/1060378138.db2.gz DKILHNVQYPDYAA-UHFFFAOYSA-N 1 0 304.437 4.266 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(Cl)cc2Br)CCCC1 ZINC001560569136 1060381034 /nfs/dbraw/zinc/38/10/34/1060381034.db2.gz KWQMJPASKCXNLD-UHFFFAOYSA-N 1 0 312.638 4.138 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccccc1 ZINC001560572388 1060384222 /nfs/dbraw/zinc/38/42/22/1060384222.db2.gz KVQGYLYPYNFREJ-SFHVURJKSA-N 1 0 324.424 4.040 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC001560579096 1060395030 /nfs/dbraw/zinc/39/50/30/1060395030.db2.gz WZEYDPDMZSRFAB-UHFFFAOYSA-N 1 0 307.507 4.002 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC2(SC)CCCCC2)c1 ZINC001560591075 1060405205 /nfs/dbraw/zinc/40/52/05/1060405205.db2.gz PMAYFSVASAVTSB-UHFFFAOYSA-N 1 0 305.487 4.407 20 30 DIEDRO CCCN(CCC)c1ccc(C[NH2+]CC2(C#N)CCCC2)cc1 ZINC001560616521 1060428825 /nfs/dbraw/zinc/42/88/25/1060428825.db2.gz HSCNCMYVFYMGOD-UHFFFAOYSA-N 1 0 313.489 4.487 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(C)cc1-c1cnn(C)c1)C1CCCCC1 ZINC001560657698 1060481585 /nfs/dbraw/zinc/48/15/85/1060481585.db2.gz WIGQDSUUNXRRGV-UHFFFAOYSA-N 1 0 321.468 4.163 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cnc(Cl)c(OC)c1 ZINC001249926553 1060485075 /nfs/dbraw/zinc/48/50/75/1060485075.db2.gz NCSBFVUIDOENRJ-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2csc(C#N)c2)C12CCCCC2 ZINC001560668211 1060497235 /nfs/dbraw/zinc/49/72/35/1060497235.db2.gz DQOYXEYXXBSFNY-DLBZAZTESA-N 1 0 318.486 4.179 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(C)nc2c1CCCC2 ZINC001560700139 1060555182 /nfs/dbraw/zinc/55/51/82/1060555182.db2.gz MFDZFXCKLGLBCL-UHFFFAOYSA-N 1 0 320.480 4.500 20 30 DIEDRO N#Cc1cccc(CC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001250048928 1060568925 /nfs/dbraw/zinc/56/89/25/1060568925.db2.gz PIUVWIRHBBRHKV-YADHBBJMSA-N 1 0 314.432 4.464 20 30 DIEDRO N#Cc1ccc(Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC001250052227 1060569157 /nfs/dbraw/zinc/56/91/57/1060569157.db2.gz RSVGUVVTGDFHQA-UHFFFAOYSA-N 1 0 320.436 4.014 20 30 DIEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001560773410 1060636525 /nfs/dbraw/zinc/63/65/25/1060636525.db2.gz ZIAYPLMIAUJTCB-DOTOQJQBSA-N 1 0 302.418 4.252 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC001560806534 1060665336 /nfs/dbraw/zinc/66/53/36/1060665336.db2.gz KQSVDVCKEIBGON-HOTGVXAUSA-N 1 0 313.445 4.446 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC001560814239 1060671808 /nfs/dbraw/zinc/67/18/08/1060671808.db2.gz SGFCEJKYCDHGQT-QZTJIDSGSA-N 1 0 303.446 4.404 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c(F)c1 ZINC001560818601 1060676864 /nfs/dbraw/zinc/67/68/64/1060676864.db2.gz PLMNFCBTFUGDQJ-QKNQBKEWSA-N 1 0 320.411 4.465 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001560841882 1060697843 /nfs/dbraw/zinc/69/78/43/1060697843.db2.gz FVJQBXPDKUMDMM-BBWFWOEESA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001560853402 1060711072 /nfs/dbraw/zinc/71/10/72/1060711072.db2.gz XSVYESHQUZBPAK-HZPDHXFCSA-N 1 0 324.509 4.214 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C12CCCC2 ZINC001560890237 1060750621 /nfs/dbraw/zinc/75/06/21/1060750621.db2.gz FMWDEPPRTOKKJO-SLFFLAALSA-N 1 0 324.468 4.263 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(C)CCC(C)(C)CC1 ZINC001560888360 1060751771 /nfs/dbraw/zinc/75/17/71/1060751771.db2.gz ALOWVYCWAUGHCA-INIZCTEOSA-N 1 0 306.494 4.281 20 30 DIEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC001560893403 1060757749 /nfs/dbraw/zinc/75/77/49/1060757749.db2.gz NBEXAFXEEBPJBA-NRFANRHFSA-N 1 0 307.412 4.274 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC001560906153 1060767882 /nfs/dbraw/zinc/76/78/82/1060767882.db2.gz CSSPXIFDAZKXNZ-LBPRGKRZSA-N 1 0 318.214 4.041 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(CC#N)cc1 ZINC001560903976 1060768221 /nfs/dbraw/zinc/76/82/21/1060768221.db2.gz JUGSRPPMVCNQJZ-AWEZNQCLSA-N 1 0 314.379 4.142 20 30 DIEDRO Cc1cc(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)ccc1C#N ZINC001560911540 1060772074 /nfs/dbraw/zinc/77/20/74/1060772074.db2.gz GJCOOFYTQIQHRE-HNNXBMFYSA-N 1 0 308.400 4.168 20 30 DIEDRO N#Cc1cc(Cl)c(Nc2ccc3c[nH+]cn3c2)c(Cl)c1 ZINC001250328815 1060783639 /nfs/dbraw/zinc/78/36/39/1060783639.db2.gz WLHITYHTRUGZON-UHFFFAOYSA-N 1 0 303.152 4.256 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC001560927070 1060790708 /nfs/dbraw/zinc/79/07/08/1060790708.db2.gz GIFZDEPABUUWDL-TZNCUMHOSA-N 1 0 307.478 4.079 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC001560928704 1060792866 /nfs/dbraw/zinc/79/28/66/1060792866.db2.gz ZTVOHRVVOAJJDB-SFTDATJTSA-N 1 0 304.437 4.201 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC001560936350 1060799113 /nfs/dbraw/zinc/79/91/13/1060799113.db2.gz XFWZFFGCPDBJIC-QXAKKESOSA-N 1 0 303.494 4.246 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001560955232 1060822831 /nfs/dbraw/zinc/82/28/31/1060822831.db2.gz NZXAAYQHLPKNDE-UHOSZYNNSA-N 1 0 319.876 4.384 20 30 DIEDRO Cc1c(Cl)cccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001560956768 1060822944 /nfs/dbraw/zinc/82/29/44/1060822944.db2.gz IPDQAYBONIMUMS-UHFFFAOYSA-N 1 0 310.828 4.273 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001560962245 1060827418 /nfs/dbraw/zinc/82/74/18/1060827418.db2.gz WAZRTYNVSGSHOH-ULQDDVLXSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC)c2cccc(OC)c2OC)C1 ZINC001560975674 1060840127 /nfs/dbraw/zinc/84/01/27/1060840127.db2.gz HYDYYUGNDWGHOE-INMHGKMJSA-N 1 0 303.446 4.489 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc2c(c(OC)c1)NC(C)(C)C=C2 ZINC001250485335 1060840570 /nfs/dbraw/zinc/84/05/70/1060840570.db2.gz QRBXOWOZDNHYTQ-UHFFFAOYSA-N 1 0 300.446 4.311 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC001560980567 1060845609 /nfs/dbraw/zinc/84/56/09/1060845609.db2.gz VGAOJPBKKPWWFS-SFHVURJKSA-N 1 0 311.473 4.026 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCCc2cc(OC)c(OC)cc21 ZINC001560985864 1060849935 /nfs/dbraw/zinc/84/99/35/1060849935.db2.gz OKDMECGCGXEQRD-WMLDXEAASA-N 1 0 303.446 4.416 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC001560997388 1060856385 /nfs/dbraw/zinc/85/63/85/1060856385.db2.gz SFFNLWMKLPJQKY-MRXNPFEDSA-N 1 0 302.462 4.294 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC001561001332 1060861045 /nfs/dbraw/zinc/86/10/45/1060861045.db2.gz QQYYUICBVCNGIQ-HNNXBMFYSA-N 1 0 303.446 4.058 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001561018510 1060874791 /nfs/dbraw/zinc/87/47/91/1060874791.db2.gz AKSNFKCHUUWJKA-ARFHVFGLSA-N 1 0 310.482 4.014 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cc(Cl)cc2c1OCC2 ZINC001561020775 1060877032 /nfs/dbraw/zinc/87/70/32/1060877032.db2.gz QFCRFFAXKQTLML-RTYYOJRZSA-N 1 0 318.848 4.398 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1ccc(Br)cc1F ZINC001561038241 1060890317 /nfs/dbraw/zinc/89/03/17/1060890317.db2.gz HOAYTHLCYAXENV-UHFFFAOYSA-N 1 0 312.226 4.262 20 30 DIEDRO C[N@H+](C/C=C\c1ccc(F)c(F)c1)Cc1cc(C#N)cs1 ZINC001561026133 1060882882 /nfs/dbraw/zinc/88/28/82/1060882882.db2.gz UVPCSZVSKOFQSL-IHWYPQMZSA-N 1 0 304.365 4.043 20 30 DIEDRO C#CC[N@H+](C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C(C)C ZINC001561032586 1060886924 /nfs/dbraw/zinc/88/69/24/1060886924.db2.gz JKDIMDVBBSRAAD-INIZCTEOSA-N 1 0 324.509 4.050 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccn2)C1 ZINC001561035862 1060888258 /nfs/dbraw/zinc/88/82/58/1060888258.db2.gz LCIHGSMMPXNQOE-WSTZPKSXSA-N 1 0 305.425 4.037 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001561048347 1060898495 /nfs/dbraw/zinc/89/84/95/1060898495.db2.gz RWRXMJDEFYEFGU-DLBZAZTESA-N 1 0 324.509 4.358 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC001473190156 1060945990 /nfs/dbraw/zinc/94/59/90/1060945990.db2.gz MQRWMZAWELSVFY-UHFFFAOYSA-N 1 0 322.452 4.285 20 30 DIEDRO Cc1cc(F)cc2c1C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC001462151004 1060971324 /nfs/dbraw/zinc/97/13/24/1060971324.db2.gz UPCAEUIJKCEFCG-UHFFFAOYSA-N 1 0 320.411 4.248 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001462161807 1060982641 /nfs/dbraw/zinc/98/26/41/1060982641.db2.gz ICXJYFFZVDBEIT-ZDUSSCGKSA-N 1 0 300.368 4.216 20 30 DIEDRO CC(C)[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1 ZINC001473226263 1061004671 /nfs/dbraw/zinc/00/46/71/1061004671.db2.gz QHZDMBSAFITKFN-UHFFFAOYSA-N 1 0 311.347 4.200 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1(CC)CC ZINC001473242668 1061018455 /nfs/dbraw/zinc/01/84/55/1061018455.db2.gz DOAWNIUYJKZOLP-ZWKOTPCHSA-N 1 0 318.436 4.113 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1)C(C)C ZINC001462212108 1061030245 /nfs/dbraw/zinc/03/02/45/1061030245.db2.gz QYSVNLYGXQVYEG-CRAIPNDOSA-N 1 0 307.865 4.443 20 30 DIEDRO C=C(C)COc1ccccc1-c1nc2cc(C[NH+](C)C)ccc2[nH]1 ZINC001250715371 1061036702 /nfs/dbraw/zinc/03/67/02/1061036702.db2.gz BNWDFOFQTARKEN-UHFFFAOYSA-N 1 0 321.424 4.246 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC[C@H](O)C(C)C)C(C)(C)C)cc1 ZINC001473264841 1061040682 /nfs/dbraw/zinc/04/06/82/1061040682.db2.gz CHHNDHGNZVBAQQ-IBGZPJMESA-N 1 0 319.489 4.259 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CCCC1 ZINC001462230193 1061043635 /nfs/dbraw/zinc/04/36/35/1061043635.db2.gz HZVJLZXEIMVQLU-MRXNPFEDSA-N 1 0 302.466 4.152 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC001462248455 1061052817 /nfs/dbraw/zinc/05/28/17/1061052817.db2.gz KOXARMPRGNNWAR-LLVKDONJSA-N 1 0 314.242 4.321 20 30 DIEDRO CC1(C)C[C@H](C[N@H+](Cc2ccc(C#N)cc2)C2CC2)C(C)(C)O1 ZINC001473304304 1061068953 /nfs/dbraw/zinc/06/89/53/1061068953.db2.gz MBUQXFJIPAPKGF-QGZVFWFLSA-N 1 0 312.457 4.116 20 30 DIEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001473317973 1061082577 /nfs/dbraw/zinc/08/25/77/1061082577.db2.gz LBQIMWHRFYTBCW-HIFRSBDPSA-N 1 0 311.347 4.200 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC001473318542 1061082666 /nfs/dbraw/zinc/08/26/66/1061082666.db2.gz UQGOVAOOBSOLSB-UHFFFAOYSA-N 1 0 307.457 4.093 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1ccc(F)cc1 ZINC001473320156 1061085494 /nfs/dbraw/zinc/08/54/94/1061085494.db2.gz DRAMARZMZPAUJT-SFHVURJKSA-N 1 0 311.404 4.359 20 30 DIEDRO CC(C)([NH2+]CC#Cc1ccccc1Cl)c1cccc(F)c1 ZINC001473323116 1061086359 /nfs/dbraw/zinc/08/63/59/1061086359.db2.gz HQVPXGKBBIPDGK-UHFFFAOYSA-N 1 0 301.792 4.356 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC001473332950 1061091591 /nfs/dbraw/zinc/09/15/91/1061091591.db2.gz OJTGJHXNQMUSDQ-CRAIPNDOSA-N 1 0 301.430 4.355 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](COc1c(C)cccc1C)C(C)(C)C ZINC001473336027 1061093787 /nfs/dbraw/zinc/09/37/87/1061093787.db2.gz QGEQJQPGPOALGU-MSOLQXFVSA-N 1 0 319.489 4.014 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001473336261 1061097481 /nfs/dbraw/zinc/09/74/81/1061097481.db2.gz STRGEDJDYWFZSH-IBGZPJMESA-N 1 0 314.379 4.193 20 30 DIEDRO CCC[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1 ZINC001473338064 1061097988 /nfs/dbraw/zinc/09/79/88/1061097988.db2.gz QYDZFIXOZBKJAA-HXUWFJFHSA-N 1 0 308.425 4.458 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001462319402 1061102758 /nfs/dbraw/zinc/10/27/58/1061102758.db2.gz QTZZMYFLRNVXNJ-FXAWDEMLSA-N 1 0 302.506 4.432 20 30 DIEDRO Cc1ccccc1C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001473365274 1061113550 /nfs/dbraw/zinc/11/35/50/1061113550.db2.gz BHEZXPRYXJEASQ-UHFFFAOYSA-N 1 0 307.412 4.365 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(F)c3ccccc23)cc1F ZINC001462350306 1061124145 /nfs/dbraw/zinc/12/41/45/1061124145.db2.gz VRRHHISZEBUFPT-UHFFFAOYSA-N 1 0 308.331 4.279 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC001462357095 1061125298 /nfs/dbraw/zinc/12/52/98/1061125298.db2.gz REYHNYCNCXWKAV-JLTOFOAXSA-N 1 0 308.400 4.468 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cccc(Cl)c1 ZINC001462358446 1061125582 /nfs/dbraw/zinc/12/55/82/1061125582.db2.gz VOLZVISJHLGCHF-IBGZPJMESA-N 1 0 310.828 4.421 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cccc(Cl)c1 ZINC001462358462 1061126570 /nfs/dbraw/zinc/12/65/70/1061126570.db2.gz VOLZVISJHLGCHF-LJQANCHMSA-N 1 0 310.828 4.421 20 30 DIEDRO N#CC1(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CCC1 ZINC001462356360 1061126655 /nfs/dbraw/zinc/12/66/55/1061126655.db2.gz OKGDFPBZFOOEMS-UHFFFAOYSA-N 1 0 318.464 4.371 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC001473390907 1061132245 /nfs/dbraw/zinc/13/22/45/1061132245.db2.gz IJEVQXHNTRJSCN-ICSRJNTNSA-N 1 0 320.436 4.068 20 30 DIEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001473397311 1061133664 /nfs/dbraw/zinc/13/36/64/1061133664.db2.gz JSEBMHQECFUHDJ-SJORKVTESA-N 1 0 307.890 4.345 20 30 DIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001473397310 1061133771 /nfs/dbraw/zinc/13/37/71/1061133771.db2.gz JSEBMHQECFUHDJ-IRXDYDNUSA-N 1 0 307.890 4.345 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc(F)c(F)c1 ZINC001473400253 1061137021 /nfs/dbraw/zinc/13/70/21/1061137021.db2.gz NNYSOYNBDNZDJJ-PBHICJAKSA-N 1 0 307.384 4.131 20 30 DIEDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001462378059 1061138592 /nfs/dbraw/zinc/13/85/92/1061138592.db2.gz UKOPMSHRPIYXJF-WBVHZDCISA-N 1 0 300.421 4.346 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@H]3C[C@@H]3c3ccccc3)CCC2)cc1 ZINC001462386646 1061141684 /nfs/dbraw/zinc/14/16/84/1061141684.db2.gz UWJYWGICTXLSGV-UYAOXDASSA-N 1 0 302.421 4.331 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC001462396348 1061148034 /nfs/dbraw/zinc/14/80/34/1061148034.db2.gz QFYPTIJHCQYEDA-FXAWDEMLSA-N 1 0 303.490 4.202 20 30 DIEDRO CCCCCCC[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC001473444087 1061161325 /nfs/dbraw/zinc/16/13/25/1061161325.db2.gz OSOBELUGHBGFDQ-AWEZNQCLSA-N 1 0 319.367 4.179 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001462429173 1061168478 /nfs/dbraw/zinc/16/84/78/1061168478.db2.gz UWRYELWKESDQIR-DZGCQCFKSA-N 1 0 308.809 4.473 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C12CCCC2 ZINC001473457386 1061170385 /nfs/dbraw/zinc/17/03/85/1061170385.db2.gz GDLIDCFHXKCLRW-RTBURBONSA-N 1 0 312.457 4.003 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CCCC1 ZINC001462441996 1061175349 /nfs/dbraw/zinc/17/53/49/1061175349.db2.gz UKMNFYXPIIIYFH-UHFFFAOYSA-N 1 0 301.430 4.310 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001473463310 1061175565 /nfs/dbraw/zinc/17/55/65/1061175565.db2.gz OJXTXJHJBYXMQD-UHFFFAOYSA-N 1 0 318.420 4.004 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001473509912 1061206158 /nfs/dbraw/zinc/20/61/58/1061206158.db2.gz QXAUUJVRGFBBSL-MSOLQXFVSA-N 1 0 321.892 4.454 20 30 DIEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001473518466 1061211899 /nfs/dbraw/zinc/21/18/99/1061211899.db2.gz CNIVHPBWWQOOBF-WBVHZDCISA-N 1 0 300.446 4.084 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)s1 ZINC001473558785 1061245106 /nfs/dbraw/zinc/24/51/06/1061245106.db2.gz ABFGNBDGZCHANT-CQSZACIVSA-N 1 0 318.392 4.105 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001473564132 1061248678 /nfs/dbraw/zinc/24/86/78/1061248678.db2.gz JIIFUBZVSWEWFS-IRXDYDNUSA-N 1 0 300.446 4.213 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC001473564133 1061250336 /nfs/dbraw/zinc/25/03/36/1061250336.db2.gz JIIFUBZVSWEWFS-SJORKVTESA-N 1 0 300.446 4.213 20 30 DIEDRO CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC001462543375 1061251131 /nfs/dbraw/zinc/25/11/31/1061251131.db2.gz CRHRSCFZBPYMCZ-CJNGLKHVSA-N 1 0 306.837 4.299 20 30 DIEDRO C#CCCCCCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001473566710 1061254126 /nfs/dbraw/zinc/25/41/26/1061254126.db2.gz VRSFZNNJYDUODS-IRXDYDNUSA-N 1 0 307.478 4.012 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC001462557147 1061258741 /nfs/dbraw/zinc/25/87/41/1061258741.db2.gz NSMDLRUEECNBGI-OAHLLOKOSA-N 1 0 301.459 4.430 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC001462557145 1061259188 /nfs/dbraw/zinc/25/91/88/1061259188.db2.gz NSMDLRUEECNBGI-HNNXBMFYSA-N 1 0 301.459 4.430 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC001473573568 1061260999 /nfs/dbraw/zinc/26/09/99/1061260999.db2.gz PUGXWDKZVOTMEB-CYBMUJFWSA-N 1 0 300.352 4.072 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC001473586868 1061274155 /nfs/dbraw/zinc/27/41/55/1061274155.db2.gz BVRCZKPJXLCHPS-VFQAQYNWSA-N 1 0 318.258 4.198 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC001473617246 1061291032 /nfs/dbraw/zinc/29/10/32/1061291032.db2.gz NAGQUFXDWSCCCW-MGPUTAFESA-N 1 0 308.400 4.422 20 30 DIEDRO Cc1cccc(C)c1C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC001462617171 1061302433 /nfs/dbraw/zinc/30/24/33/1061302433.db2.gz LUBOWUSPEOBAOV-UHFFFAOYSA-N 1 0 304.437 4.491 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccccc1-n1nnc2ccccc21 ZINC001462632916 1061307414 /nfs/dbraw/zinc/30/74/14/1061307414.db2.gz FWLJHHJPGOFAGR-UHFFFAOYSA-N 1 0 320.440 4.209 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1sc(N2CCCC2)nc1Cl ZINC001462632817 1061307589 /nfs/dbraw/zinc/30/75/89/1061307589.db2.gz FHIHJHPAZVEGHB-UHFFFAOYSA-N 1 0 313.898 4.185 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC001473638123 1061309718 /nfs/dbraw/zinc/30/97/18/1061309718.db2.gz PNFFXYOLZLKYEH-XJKSGUPXSA-N 1 0 306.837 4.003 20 30 DIEDRO C[C@@H]1CCC[C@H](C[NH+]2CCC(Nc3ccccc3C#N)CC2)C1 ZINC001473682712 1061340098 /nfs/dbraw/zinc/34/00/98/1061340098.db2.gz BLGAFEZDXXGHAV-SJORKVTESA-N 1 0 311.473 4.261 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC001473684141 1061341455 /nfs/dbraw/zinc/34/14/55/1061341455.db2.gz ZKZNXHUGDFEYKV-IBGZPJMESA-N 1 0 305.425 4.153 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCSCC2)CC1 ZINC001473694295 1061352046 /nfs/dbraw/zinc/35/20/46/1061352046.db2.gz FERZFQUFNNATKU-HNNXBMFYSA-N 1 0 300.471 4.228 20 30 DIEDRO Cc1cccc([C@H]([NH2+]CCOc2ccccc2C#N)C(C)C)c1 ZINC001473703181 1061358980 /nfs/dbraw/zinc/35/89/80/1061358980.db2.gz YUTSPQSAVSFBDK-HXUWFJFHSA-N 1 0 308.425 4.232 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001473719344 1061369259 /nfs/dbraw/zinc/36/92/59/1061369259.db2.gz HBJIYLZBIQPLRZ-GOSISDBHSA-N 1 0 300.446 4.159 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001473720007 1061372699 /nfs/dbraw/zinc/37/26/99/1061372699.db2.gz ZMVWHHRWMCRIDR-SFHVURJKSA-N 1 0 302.462 4.383 20 30 DIEDRO CC[C@]1(CCc2ccccc2)CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001473757192 1061394226 /nfs/dbraw/zinc/39/42/26/1061394226.db2.gz XZIAAFBCGACTOH-OAQYLSRUSA-N 1 0 319.452 4.331 20 30 DIEDRO CC(C)c1cc([C@H]2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)[nH]n1 ZINC001473773443 1061402076 /nfs/dbraw/zinc/40/20/76/1061402076.db2.gz VCJWHUKXFBTWQU-QAPCUYQASA-N 1 0 322.456 4.345 20 30 DIEDRO CCCCCCC[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC001473787197 1061409467 /nfs/dbraw/zinc/40/94/67/1061409467.db2.gz CKVAEXGHBLTYIM-UHFFFAOYSA-N 1 0 317.473 4.401 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001473804466 1061414359 /nfs/dbraw/zinc/41/43/59/1061414359.db2.gz UMKBPQAHEZSRGS-INIZCTEOSA-N 1 0 312.498 4.336 20 30 DIEDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001473818491 1061421744 /nfs/dbraw/zinc/42/17/44/1061421744.db2.gz OYHLIJZNLNUWKK-UTKZUKDTSA-N 1 0 320.436 4.205 20 30 DIEDRO C#CCC1([NH2+]Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)CCC1 ZINC001473820084 1061423222 /nfs/dbraw/zinc/42/32/22/1061423222.db2.gz XUTXJKHMLRXCTB-UHFFFAOYSA-N 1 0 316.514 4.429 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(F)ccc2Br)CCCCC1 ZINC001473824893 1061425957 /nfs/dbraw/zinc/42/59/57/1061425957.db2.gz VTPQQELDXYWYHQ-UHFFFAOYSA-N 1 0 324.237 4.404 20 30 DIEDRO C=CCCCCC[N@@H+](CC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001473905453 1061455994 /nfs/dbraw/zinc/45/59/94/1061455994.db2.gz IYLZXXMKBLVCRQ-QGZVFWFLSA-N 1 0 324.509 4.454 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNCc1c(F)cc(C)cc1F)C(C)C ZINC001473927376 1061475482 /nfs/dbraw/zinc/47/54/82/1061475482.db2.gz KCQKCFDIFVYQLY-LJQANCHMSA-N 1 0 322.443 4.061 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC001473955697 1061495907 /nfs/dbraw/zinc/49/59/07/1061495907.db2.gz MOVWIINHSJXSRV-NWDGAFQWSA-N 1 0 314.292 4.388 20 30 DIEDRO N#Cc1cc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)cs1 ZINC001473960268 1061502373 /nfs/dbraw/zinc/50/23/73/1061502373.db2.gz IIFMWDBQBIGEIM-UHFFFAOYSA-N 1 0 324.371 4.361 20 30 DIEDRO CC(C)(Cc1ccccc1Cl)[NH2+]Cc1csc(C#N)c1 ZINC001473987267 1061528079 /nfs/dbraw/zinc/52/80/79/1061528079.db2.gz KTZYKVHWYSBVOQ-UHFFFAOYSA-N 1 0 304.846 4.384 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC001463889702 1061530941 /nfs/dbraw/zinc/53/09/41/1061530941.db2.gz MDZQTRZKABETQE-IBGZPJMESA-N 1 0 316.489 4.131 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](c1ccc([C@H](C)CC)cc1)C(C)C ZINC001463961897 1061539577 /nfs/dbraw/zinc/53/95/77/1061539577.db2.gz MEXGABBJZFALGN-DNVCBOLYSA-N 1 0 316.489 4.131 20 30 DIEDRO C=C1CC(C)(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC001464020879 1061544018 /nfs/dbraw/zinc/54/40/18/1061544018.db2.gz XSOPNCFBTUSZQT-HNNXBMFYSA-N 1 0 312.457 4.213 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1ccncc1 ZINC001474008129 1061549145 /nfs/dbraw/zinc/54/91/45/1061549145.db2.gz WAVZGPCEPWZSPX-FQEVSTJZSA-N 1 0 309.457 4.335 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@@H](C)CC2)c1 ZINC001474008031 1061549741 /nfs/dbraw/zinc/54/97/41/1061549741.db2.gz SZCWLGPMHHJVMI-BPQIPLTHSA-N 1 0 300.446 4.426 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)C1 ZINC001474007303 1061550697 /nfs/dbraw/zinc/55/06/97/1061550697.db2.gz XOAMEUMLTQHOPN-AYOQOUSVSA-N 1 0 301.474 4.352 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNc1nc2c(cccc2F)o1)C(C)C ZINC001458091439 1061565532 /nfs/dbraw/zinc/56/55/32/1061565532.db2.gz JNPRTMVANVFBPB-OAHLLOKOSA-N 1 0 317.408 4.077 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C12CCCC2 ZINC001474032101 1061573975 /nfs/dbraw/zinc/57/39/75/1061573975.db2.gz GQDIOYSHZWMWDY-RTBURBONSA-N 1 0 324.468 4.069 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(C)CCC2)cc1OC ZINC001474033530 1061576743 /nfs/dbraw/zinc/57/67/43/1061576743.db2.gz QBAANBKFTBUOOE-UHFFFAOYSA-N 1 0 309.837 4.193 20 30 DIEDRO CCCCCCCC[C@@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC001252121399 1061582089 /nfs/dbraw/zinc/58/20/89/1061582089.db2.gz FUOGRTHGYXSYNQ-HXUWFJFHSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001252128217 1061585844 /nfs/dbraw/zinc/58/58/44/1061585844.db2.gz KLGDATYSCUFCFY-HUUCEWRRSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCC[C@H](O)CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001252128833 1061586822 /nfs/dbraw/zinc/58/68/22/1061586822.db2.gz QSCMMPYBTXBCHB-PMACEKPBSA-N 1 0 324.553 4.048 20 30 DIEDRO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001464403292 1061589621 /nfs/dbraw/zinc/58/96/21/1061589621.db2.gz RTFITYWMBWYKMQ-MJGOQNOKSA-N 1 0 314.473 4.027 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](C)c1cnc2ccccn21 ZINC001252131157 1061590291 /nfs/dbraw/zinc/59/02/91/1061590291.db2.gz HXXZSRZSBKJMPO-IAGOWNOFSA-N 1 0 317.477 4.096 20 30 DIEDRO CCCCCCCC[C@@H](O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC001252133204 1061590823 /nfs/dbraw/zinc/59/08/23/1061590823.db2.gz NBNQNEMIIVMIDB-LJQANCHMSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001252133255 1061592000 /nfs/dbraw/zinc/59/20/00/1061592000.db2.gz HKZQEZHYQYTRGO-VIQWUECVSA-N 1 0 306.494 4.304 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CCCCc1ccccn1 ZINC001252133298 1061592829 /nfs/dbraw/zinc/59/28/29/1061592829.db2.gz HWHNCUYUDREVSQ-LJQANCHMSA-N 1 0 306.494 4.105 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CCCc1cc(C)ccn1 ZINC001252134385 1061592851 /nfs/dbraw/zinc/59/28/51/1061592851.db2.gz QELAZCVQGHOHOT-LJQANCHMSA-N 1 0 306.494 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc2ccccc2n1 ZINC001252135630 1061595018 /nfs/dbraw/zinc/59/50/18/1061595018.db2.gz GOGVHBUDHWPALN-LJQANCHMSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC001252136440 1061595865 /nfs/dbraw/zinc/59/58/65/1061595865.db2.gz QJYVOEYMEFJWOX-FUHWJXTLSA-N 1 0 305.462 4.211 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cncc2ccccc21 ZINC001252139896 1061596832 /nfs/dbraw/zinc/59/68/32/1061596832.db2.gz UKGDGHDUWQOTNC-LJQANCHMSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)c1ncccc1F ZINC001252139371 1061596877 /nfs/dbraw/zinc/59/68/77/1061596877.db2.gz MOTFKFIUHJVQIX-INIZCTEOSA-N 1 0 324.484 4.199 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCc2cc(C)ncc21 ZINC001252140150 1061596923 /nfs/dbraw/zinc/59/69/23/1061596923.db2.gz ZZHKMVCXADBSEK-IEBWSBKVSA-N 1 0 304.478 4.078 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)O ZINC001252139088 1061597413 /nfs/dbraw/zinc/59/74/13/1061597413.db2.gz JBVMIRNYYUSJRK-OALUTQOASA-N 1 0 321.505 4.200 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(COC)cc1 ZINC001252139142 1061597620 /nfs/dbraw/zinc/59/76/20/1061597620.db2.gz JVIDQNUOXOPXFZ-LJQANCHMSA-N 1 0 307.478 4.034 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](COC)c1ccccc1 ZINC001252138767 1061597756 /nfs/dbraw/zinc/59/77/56/1061597756.db2.gz DGBSQIKWQLBDNK-MOPGFXCFSA-N 1 0 307.478 4.075 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc2ccncc21 ZINC001252139406 1061598023 /nfs/dbraw/zinc/59/80/23/1061598023.db2.gz KACKOHLXIUQCTH-IBGZPJMESA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001252139030 1061598488 /nfs/dbraw/zinc/59/84/88/1061598488.db2.gz HMHRQJPEXONKHQ-FXAWDEMLSA-N 1 0 314.473 4.247 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(CCOC)c1 ZINC001252141229 1061599994 /nfs/dbraw/zinc/59/99/94/1061599994.db2.gz XNOBFPVRZXOVBN-HXUWFJFHSA-N 1 0 321.505 4.077 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCCC2(C)C)cc1OC ZINC001474054213 1061603000 /nfs/dbraw/zinc/60/30/00/1061603000.db2.gz RWGMJZXORRMGOS-SFHVURJKSA-N 1 0 303.446 4.318 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC001474065384 1061610806 /nfs/dbraw/zinc/61/08/06/1061610806.db2.gz OKLMBMQWAYYMQK-UHFFFAOYSA-N 1 0 305.418 4.237 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC001474091491 1061637644 /nfs/dbraw/zinc/63/76/44/1061637644.db2.gz JAWGMCIZEOUQQU-SFHVURJKSA-N 1 0 307.437 4.146 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2CCC(C)(C)CC2)cc(OC)c1O ZINC001474101602 1061647828 /nfs/dbraw/zinc/64/78/28/1061647828.db2.gz HOWNZAHQZZEWLY-UHFFFAOYSA-N 1 0 317.473 4.435 20 30 DIEDRO C=CCSCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC001474107443 1061655941 /nfs/dbraw/zinc/65/59/41/1061655941.db2.gz ARGZZQJGWIYEQC-UHFFFAOYSA-N 1 0 313.466 4.274 20 30 DIEDRO C=C[C@@](C)(O)C[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001252556259 1061663751 /nfs/dbraw/zinc/66/37/51/1061663751.db2.gz FOPSANGUGFLLIA-HZPDHXFCSA-N 1 0 313.363 4.169 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC001474117887 1061665583 /nfs/dbraw/zinc/66/55/83/1061665583.db2.gz CJAQSGQUVCWHJH-PXNSSMCTSA-N 1 0 320.436 4.068 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)cc1C#N ZINC001474117888 1061666681 /nfs/dbraw/zinc/66/66/81/1061666681.db2.gz CJAQSGQUVCWHJH-XLIONFOSSA-N 1 0 320.436 4.068 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccc(Sc2ccccc2)cc1)[C@H]1CCCO1 ZINC001474118525 1061668436 /nfs/dbraw/zinc/66/84/36/1061668436.db2.gz MNMVUKRTFQUVGY-WOJBJXKFSA-N 1 0 323.461 4.108 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccc(Sc2ccccc2)cc1)[C@@H]1CCCO1 ZINC001474118523 1061668933 /nfs/dbraw/zinc/66/89/33/1061668933.db2.gz MNMVUKRTFQUVGY-UXHICEINSA-N 1 0 323.461 4.108 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCN2CCC3(CCCCC3)CC2)C1 ZINC001474125797 1061671811 /nfs/dbraw/zinc/67/18/11/1061671811.db2.gz XWDKRUCFKPUQBZ-MOPGFXCFSA-N 1 0 304.522 4.367 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001252621430 1061679535 /nfs/dbraw/zinc/67/95/35/1061679535.db2.gz BTMSKMCKCIRWQH-QGZVFWFLSA-N 1 0 323.427 4.094 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC001252620350 1061680091 /nfs/dbraw/zinc/68/00/91/1061680091.db2.gz UPQBJDGCSAIINY-VIFPVBQESA-N 1 0 308.636 4.064 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C1(c2ccccc2C)CCC(F)(F)CC1 ZINC001252623748 1061682196 /nfs/dbraw/zinc/68/21/96/1061682196.db2.gz QFPUEBPXHJBDPS-INIZCTEOSA-N 1 0 323.427 4.316 20 30 DIEDRO CC1(CC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC001474136209 1061684297 /nfs/dbraw/zinc/68/42/97/1061684297.db2.gz WOGWZXYNTIXFHK-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO C=Cc1ccc(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001474156133 1061698011 /nfs/dbraw/zinc/69/80/11/1061698011.db2.gz VCOZAZGZWCRCSM-UHFFFAOYSA-N 1 0 302.421 4.217 20 30 DIEDRO CCC[C@H](O)C[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001252789606 1061719636 /nfs/dbraw/zinc/71/96/36/1061719636.db2.gz MWRSOEWAQNNRDA-UWJYYQICSA-N 1 0 322.452 4.282 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)c1 ZINC001474178997 1061724380 /nfs/dbraw/zinc/72/43/80/1061724380.db2.gz XUXDBVQVBSCXQN-UHFFFAOYSA-N 1 0 318.445 4.390 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cccc(C)c2Br)c1 ZINC001474178656 1061724873 /nfs/dbraw/zinc/72/48/73/1061724873.db2.gz OAHJTDYUQROFKY-UHFFFAOYSA-N 1 0 314.226 4.029 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001474177872 1061725237 /nfs/dbraw/zinc/72/52/37/1061725237.db2.gz AZUKPAJRYBUWNP-GOSISDBHSA-N 1 0 310.397 4.180 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2c1CCC2 ZINC001474185255 1061734295 /nfs/dbraw/zinc/73/42/95/1061734295.db2.gz PLPJEVLXZQFNPI-NRFANRHFSA-N 1 0 302.421 4.214 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C/C=C\c1ccc(F)cc1 ZINC001474185685 1061736480 /nfs/dbraw/zinc/73/64/80/1061736480.db2.gz WZYUHKCPKRYKSH-ZBADOCLRSA-N 1 0 306.384 4.378 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)cc1 ZINC001474208705 1061763669 /nfs/dbraw/zinc/76/36/69/1061763669.db2.gz NKOMCFBELJJJOK-VGSWGCGISA-N 1 0 319.448 4.420 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cccc(NC(C)=O)c2)CCCC1 ZINC001474208639 1061764376 /nfs/dbraw/zinc/76/43/76/1061764376.db2.gz MBQQKRWADPJDLY-UHFFFAOYSA-N 1 0 300.446 4.261 20 30 DIEDRO C=CCOCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001474211640 1061768887 /nfs/dbraw/zinc/76/88/87/1061768887.db2.gz SMWQFGYUCIOBEM-UHFFFAOYSA-N 1 0 305.805 4.282 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(C)cn1 ZINC001252983140 1061774080 /nfs/dbraw/zinc/77/40/80/1061774080.db2.gz RVGWVVSAKOYDNM-IBGZPJMESA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@H+](CC)C1CCOCC1 ZINC001252983834 1061774883 /nfs/dbraw/zinc/77/48/83/1061774883.db2.gz ALBROYBGQPTSSA-LJQANCHMSA-N 1 0 313.526 4.379 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC001252986602 1061775112 /nfs/dbraw/zinc/77/51/12/1061775112.db2.gz NJXINEZJFNPZQR-CEXWTWQISA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC001252986635 1061775340 /nfs/dbraw/zinc/77/53/40/1061775340.db2.gz WESXHDIDRBILSE-UXHICEINSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CC12CCOCC2 ZINC001252985002 1061776793 /nfs/dbraw/zinc/77/67/93/1061776793.db2.gz CIHBRIYLZPWEAV-QZTJIDSGSA-N 1 0 311.510 4.037 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC001252986636 1061777035 /nfs/dbraw/zinc/77/70/35/1061777035.db2.gz WESXHDIDRBILSE-WOJBJXKFSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(CO)cc1 ZINC001252984825 1061777679 /nfs/dbraw/zinc/77/76/79/1061777679.db2.gz ARNDCYHEIDDIRQ-HXUWFJFHSA-N 1 0 321.505 4.160 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H](C)c1cnccn1 ZINC001252987514 1061778609 /nfs/dbraw/zinc/77/86/09/1061778609.db2.gz UNPFCVLQPVRQIQ-IAGOWNOFSA-N 1 0 307.482 4.019 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cc(C#N)co1 ZINC001252988234 1061778850 /nfs/dbraw/zinc/77/88/50/1061778850.db2.gz CHWRPEQJOOBBSR-QGZVFWFLSA-N 1 0 306.450 4.133 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1cnccn1 ZINC001252987513 1061779890 /nfs/dbraw/zinc/77/98/90/1061779890.db2.gz UNPFCVLQPVRQIQ-DLBZAZTESA-N 1 0 307.482 4.019 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H](OC)CC1 ZINC001252987767 1061780038 /nfs/dbraw/zinc/78/00/38/1061780038.db2.gz XALSLMMPKMFQMH-FHWLQOOXSA-N 1 0 313.526 4.425 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@@H](OC)CC1 ZINC001252990166 1061780492 /nfs/dbraw/zinc/78/04/92/1061780492.db2.gz XALSLMMPKMFQMH-GBESFXJTSA-N 1 0 313.526 4.425 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC001252988126 1061780915 /nfs/dbraw/zinc/78/09/15/1061780915.db2.gz BDACJVHQAIMXRZ-INIZCTEOSA-N 1 0 306.450 4.133 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC001474256497 1061823905 /nfs/dbraw/zinc/82/39/05/1061823905.db2.gz OSJIODQXUPGMAJ-UHFFFAOYSA-N 1 0 313.445 4.167 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccc(OC)c(OCCC)c2)CC1 ZINC001474260526 1061829065 /nfs/dbraw/zinc/82/90/65/1061829065.db2.gz YKIIILVIKOSBIF-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO C=C1CCC(C[NH2+]C2CCN(c3ccccc3OC)CC2)CC1 ZINC001474259808 1061829111 /nfs/dbraw/zinc/82/91/11/1061829111.db2.gz GMIXXLWAKAUKIY-UHFFFAOYSA-N 1 0 314.473 4.000 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC001474264264 1061829436 /nfs/dbraw/zinc/82/94/36/1061829436.db2.gz XOVDNLMYOCUUCB-YBEGLDIGSA-N 1 0 320.436 4.206 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001253227482 1061830745 /nfs/dbraw/zinc/83/07/45/1061830745.db2.gz JMDJUAMDXWXAOT-SFHVURJKSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2c(ccn2C)c1 ZINC001253228690 1061835384 /nfs/dbraw/zinc/83/53/84/1061835384.db2.gz WGORUYZAHQIIJQ-IBGZPJMESA-N 1 0 314.473 4.155 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001253239846 1061837097 /nfs/dbraw/zinc/83/70/97/1061837097.db2.gz UGEQPNBBSWXOPH-PKOBYXMFSA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001253239136 1061837333 /nfs/dbraw/zinc/83/73/33/1061837333.db2.gz KOKSGUCCKKOPCN-RBUKOAKNSA-N 1 0 316.489 4.149 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C(C)(C)/C=C\Cl)ccc1OC ZINC001474273962 1061840860 /nfs/dbraw/zinc/84/08/60/1061840860.db2.gz NUBZTPRFCVETQX-HJWRWDBZSA-N 1 0 309.837 4.271 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001253241558 1061842909 /nfs/dbraw/zinc/84/29/09/1061842909.db2.gz XPAMKYTZKNQJEW-INIZCTEOSA-N 1 0 310.869 4.054 20 30 DIEDRO C#CCC1([NH2+]Cc2cccc(OCc3ccccc3F)c2)CCC1 ZINC001474276946 1061844016 /nfs/dbraw/zinc/84/40/16/1061844016.db2.gz RHQRPWLLUOOMEF-UHFFFAOYSA-N 1 0 323.411 4.440 20 30 DIEDRO C=CCCCCCC[C@H](O)CNc1ccc(C[NH+](C)C)cc1 ZINC001253244554 1061845198 /nfs/dbraw/zinc/84/51/98/1061845198.db2.gz MHNSBHBPBYKSPH-IBGZPJMESA-N 1 0 304.478 4.048 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC001253245975 1061847083 /nfs/dbraw/zinc/84/70/83/1061847083.db2.gz GWFLMACHFNVJPR-GOSISDBHSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCCc1cccc(OC)c1 ZINC001253246996 1061847798 /nfs/dbraw/zinc/84/77/98/1061847798.db2.gz FJOHEMFCSGQLOL-LJQANCHMSA-N 1 0 319.489 4.105 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc(Cl)s1 ZINC001253248560 1061850505 /nfs/dbraw/zinc/85/05/05/1061850505.db2.gz XHEQZFVVUAUHMR-CYBMUJFWSA-N 1 0 301.883 4.379 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cnc2ccccc2c1 ZINC001253247807 1061851196 /nfs/dbraw/zinc/85/11/96/1061851196.db2.gz MCYSRLFQMOGLOA-LJQANCHMSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC001253252067 1061853431 /nfs/dbraw/zinc/85/34/31/1061853431.db2.gz QQRIUBAMKYQVCP-YLJYHZDGSA-N 1 0 319.489 4.190 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001253251133 1061853707 /nfs/dbraw/zinc/85/37/07/1061853707.db2.gz GUOFLPNNSYFUBR-FXAWDEMLSA-N 1 0 318.505 4.291 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1nccc2ccccc21 ZINC001253250306 1061854571 /nfs/dbraw/zinc/85/45/71/1061854571.db2.gz WXKNWIKVNPMYDT-GOSISDBHSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001253251842 1061855211 /nfs/dbraw/zinc/85/52/11/1061855211.db2.gz OXMHQAXVHQVNHM-PKOBYXMFSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC001253254890 1061856086 /nfs/dbraw/zinc/85/60/86/1061856086.db2.gz VCLYFJKLXWSKOM-MOPGFXCFSA-N 1 0 320.452 4.149 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCc3ccccc3C2)cc1 ZINC001474285780 1061856471 /nfs/dbraw/zinc/85/64/71/1061856471.db2.gz UCWSFQXBEMZVIA-NRFANRHFSA-N 1 0 319.448 4.126 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)(C)c1cccc(C)n1 ZINC001253254758 1061856646 /nfs/dbraw/zinc/85/66/46/1061856646.db2.gz RUVCCUQDIXCHRG-GOSISDBHSA-N 1 0 318.505 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2ccn(C)c2c1 ZINC001253253495 1061856666 /nfs/dbraw/zinc/85/66/66/1061856666.db2.gz HGFPGAREKZAIDH-IBGZPJMESA-N 1 0 314.473 4.155 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cccc2cc[nH]c21 ZINC001253255318 1061857559 /nfs/dbraw/zinc/85/75/59/1061857559.db2.gz INGNNPKZSVDBHE-GOSISDBHSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1cccnc1C)C1CC1 ZINC001253254905 1061858192 /nfs/dbraw/zinc/85/81/92/1061858192.db2.gz VLWOFJIPHHHQMU-QUCCMNQESA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cnc(C(C)C)s1 ZINC001253255549 1061858367 /nfs/dbraw/zinc/85/83/67/1061858367.db2.gz JSLJWAAUMQBAJE-OAHLLOKOSA-N 1 0 310.507 4.244 20 30 DIEDRO CC1(C)C(C)(C)C1(C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC001474289392 1061859086 /nfs/dbraw/zinc/85/90/86/1061859086.db2.gz FKKSTVIKODRHFE-UHFFFAOYSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@@H](C)c1cccc(OC)c1 ZINC001253257021 1061860773 /nfs/dbraw/zinc/86/07/73/1061860773.db2.gz JYLQQDDXVFKLBT-MJGOQNOKSA-N 1 0 319.489 4.276 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1cncc(C)c1)C1CC1 ZINC001253257497 1061861264 /nfs/dbraw/zinc/86/12/64/1061861264.db2.gz WVAUGAAWNBRGET-WOJBJXKFSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCCCOc1ccccc1 ZINC001253257034 1061861303 /nfs/dbraw/zinc/86/13/03/1061861303.db2.gz KCXFCYQRXHWPKY-LJQANCHMSA-N 1 0 319.489 4.323 20 30 DIEDRO C=C(C)C[NH2+]C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253496091 1061906598 /nfs/dbraw/zinc/90/65/98/1061906598.db2.gz CRYXKGHTDUDBQF-GOSISDBHSA-N 1 0 309.881 4.216 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC001474324306 1061906589 /nfs/dbraw/zinc/90/65/89/1061906589.db2.gz QOLBCYLWFPCVGO-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO C[N@H+](CCc1cccc2ccccc21)Cc1csc(C#N)c1 ZINC001474331659 1061921924 /nfs/dbraw/zinc/92/19/24/1061921924.db2.gz KPOVFTIMXFYWFP-UHFFFAOYSA-N 1 0 306.434 4.447 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1cncnc1 ZINC001253563315 1061927834 /nfs/dbraw/zinc/92/78/34/1061927834.db2.gz CLECMWXRTMKHBQ-IBGZPJMESA-N 1 0 321.509 4.238 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001253566125 1061931267 /nfs/dbraw/zinc/93/12/67/1061931267.db2.gz XLCMERNNLWGNGA-RTBURBONSA-N 1 0 313.526 4.284 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]CC1(C)COC1 ZINC001253566074 1061932064 /nfs/dbraw/zinc/93/20/64/1061932064.db2.gz WRXVZXKWUHCMNB-SFHVURJKSA-N 1 0 313.526 4.284 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]CCc1c[nH]cn1 ZINC001253565496 1061932524 /nfs/dbraw/zinc/93/25/24/1061932524.db2.gz OMZXAIBQHHHZRW-LJQANCHMSA-N 1 0 323.525 4.214 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[N@H+](C)CC1COC1 ZINC001253566070 1061932746 /nfs/dbraw/zinc/93/27/46/1061932746.db2.gz WQLMENJPFAVLQZ-LJQANCHMSA-N 1 0 313.526 4.237 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC001474341555 1061941652 /nfs/dbraw/zinc/94/16/52/1061941652.db2.gz ZPMSQGKOHVAOCU-UHFFFAOYSA-N 1 0 307.412 4.262 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC001474346425 1061951828 /nfs/dbraw/zinc/95/18/28/1061951828.db2.gz AFRWYEPDHCZEIF-QGZVFWFLSA-N 1 0 304.437 4.477 20 30 DIEDRO CC(C)[C@H](O)C[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001253766151 1061979188 /nfs/dbraw/zinc/97/91/88/1061979188.db2.gz BVJXRJDFUAKFQR-LAUBAEHRSA-N 1 0 322.452 4.138 20 30 DIEDRO CC(C)[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001253768030 1061979241 /nfs/dbraw/zinc/97/92/41/1061979241.db2.gz QMJRALXMJVOKQU-DYESRHJHSA-N 1 0 322.452 4.138 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)ccc1C#N ZINC001474360686 1061984381 /nfs/dbraw/zinc/98/43/81/1061984381.db2.gz SLKUTKYHZCLETJ-LPHOPBHVSA-N 1 0 320.436 4.253 20 30 DIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CC1Cc2ccccc2C1 ZINC001474363110 1061991468 /nfs/dbraw/zinc/99/14/68/1061991468.db2.gz ZRYKGNVDIODCIN-UHFFFAOYSA-N 1 0 318.464 4.431 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1F ZINC001474374662 1062020863 /nfs/dbraw/zinc/02/08/63/1062020863.db2.gz ZHRHXQZONBUDTI-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO CCCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1C ZINC001474401460 1062056428 /nfs/dbraw/zinc/05/64/28/1062056428.db2.gz OBZCZKJOFMCGDD-UHFFFAOYSA-N 1 0 308.425 4.288 20 30 DIEDRO C[N@H+](CCCCc1ccccc1)CCCOc1ccc(C#N)cc1 ZINC001459307442 1062077766 /nfs/dbraw/zinc/07/77/66/1062077766.db2.gz CUBILBMXXFFHGL-UHFFFAOYSA-N 1 0 322.452 4.282 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1ccccn1 ZINC001254345689 1062080408 /nfs/dbraw/zinc/08/04/08/1062080408.db2.gz FSIRFCVBTVRNIE-IJNIYJAUSA-N 1 0 323.415 4.275 20 30 DIEDRO Cc1cnccc1C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254341976 1062080482 /nfs/dbraw/zinc/08/04/82/1062080482.db2.gz JPAIDPNMAVHKPY-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001254342338 1062082062 /nfs/dbraw/zinc/08/20/62/1062082062.db2.gz OGTACODGTFHSIZ-BYXNGTQDSA-N 1 0 318.411 4.257 20 30 DIEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001474420434 1062090763 /nfs/dbraw/zinc/09/07/63/1062090763.db2.gz URJRZWXILXDSJV-HXUWFJFHSA-N 1 0 308.400 4.295 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC001254388799 1062092804 /nfs/dbraw/zinc/09/28/04/1062092804.db2.gz IKMVAHHVHOYDLN-UWJYYQICSA-N 1 0 320.436 4.300 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001459333675 1062094516 /nfs/dbraw/zinc/09/45/16/1062094516.db2.gz KLLYERJRVRBKJK-OAQYLSRUSA-N 1 0 304.437 4.464 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001474421625 1062096206 /nfs/dbraw/zinc/09/62/06/1062096206.db2.gz LHVNJCKBERJLCN-HOJAQTOUSA-N 1 0 300.490 4.231 20 30 DIEDRO C#Cc1cccc(N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC001474423636 1062096867 /nfs/dbraw/zinc/09/68/67/1062096867.db2.gz KVNZBANKJSBYGA-IRLDBZIGSA-N 1 0 316.448 4.448 20 30 DIEDRO C=CC[N@@H+](CCCc1scnc1C)Cc1ccc(OC)cc1 ZINC001459340147 1062098499 /nfs/dbraw/zinc/09/84/99/1062098499.db2.gz BFENHXCLNDDUTI-UHFFFAOYSA-N 1 0 316.470 4.081 20 30 DIEDRO C=CC[N@@H+](CCOC1CCCCC1)Cc1ccc(OC)cc1 ZINC001459345205 1062100753 /nfs/dbraw/zinc/10/07/53/1062100753.db2.gz QRZBJHQCYDOGBG-UHFFFAOYSA-N 1 0 303.446 4.033 20 30 DIEDRO C=CC[N@@H+](Cc1cc2cc(Br)ccc2o1)C1CC1 ZINC001474428236 1062101694 /nfs/dbraw/zinc/10/16/94/1062101694.db2.gz XDPSWGAJYDJHBB-UHFFFAOYSA-N 1 0 306.203 4.346 20 30 DIEDRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001474437519 1062114596 /nfs/dbraw/zinc/11/45/96/1062114596.db2.gz ZGISPPISHFIOBK-JKSUJKDBSA-N 1 0 324.472 4.263 20 30 DIEDRO CC(C)C[N@H+](CCN(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC001459384090 1062119939 /nfs/dbraw/zinc/11/99/39/1062119939.db2.gz DHXJYXAEJUIEPE-UHFFFAOYSA-N 1 0 321.468 4.153 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC001474443010 1062121340 /nfs/dbraw/zinc/12/13/40/1062121340.db2.gz ODYIWXMWAFIEEX-GPJFCIFZSA-N 1 0 324.468 4.082 20 30 DIEDRO C#CC[N@@H+](Cc1cc(F)ccc1OC(F)F)C1CCCCC1 ZINC001459389948 1062124402 /nfs/dbraw/zinc/12/44/02/1062124402.db2.gz FJDWWRYOVNIRSF-UHFFFAOYSA-N 1 0 311.347 4.195 20 30 DIEDRO C=CC[N@@H+](CCCSC(C)(C)C)Cc1cccc(C#N)c1 ZINC001459399571 1062128804 /nfs/dbraw/zinc/12/88/04/1062128804.db2.gz MKTXXDIOCIWHSE-UHFFFAOYSA-N 1 0 302.487 4.468 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](Cc1cccc(Cl)c1)CC(C)C)[C@@H]1CCCO1 ZINC001474459916 1062136629 /nfs/dbraw/zinc/13/66/29/1062136629.db2.gz OHPIXHYFXQGERA-QYZOEREBSA-N 1 0 319.876 4.068 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(C#N)c2)cc1C ZINC001459438090 1062145095 /nfs/dbraw/zinc/14/50/95/1062145095.db2.gz LVOHYDMGTGMFHZ-UHFFFAOYSA-N 1 0 314.816 4.161 20 30 DIEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC001474482750 1062160571 /nfs/dbraw/zinc/16/05/71/1062160571.db2.gz HIYZRRXDSMXKPG-MAUKXSAKSA-N 1 0 308.400 4.384 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2cn(-c3ccccc3C)nn2)CCCC1(C)C ZINC001474481947 1062161397 /nfs/dbraw/zinc/16/13/97/1062161397.db2.gz LPHNHPVBRTYBRU-LJQANCHMSA-N 1 0 324.472 4.142 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001459486252 1062163997 /nfs/dbraw/zinc/16/39/97/1062163997.db2.gz RPGYFCOFLGJPRR-KRWDZBQOSA-N 1 0 320.864 4.124 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1SCC ZINC001474485502 1062164378 /nfs/dbraw/zinc/16/43/78/1062164378.db2.gz LTSNHNNFVAPMHO-SUMDDJOVSA-N 1 0 319.514 4.300 20 30 DIEDRO C=CC1CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC001459491215 1062164781 /nfs/dbraw/zinc/16/47/81/1062164781.db2.gz PWFQNTGEHWQZIL-UHFFFAOYSA-N 1 0 302.805 4.393 20 30 DIEDRO C=CC[N@H+](CC1CCCCC1)C[C@](C)(O)c1ccc(F)cc1 ZINC001459492327 1062165592 /nfs/dbraw/zinc/16/55/92/1062165592.db2.gz VRXLHHJOIXQCHC-IBGZPJMESA-N 1 0 305.437 4.102 20 30 DIEDRO CCCCCCCCC[C@@H](C)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001467648334 1062172157 /nfs/dbraw/zinc/17/21/57/1062172157.db2.gz PIZSPSIHZFPOAR-QRVBRYPASA-N 1 0 322.537 4.173 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC001474493529 1062173135 /nfs/dbraw/zinc/17/31/35/1062173135.db2.gz SEUGVBUHHPOIDV-LBPRGKRZSA-N 1 0 314.351 4.350 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cc(COC)cs1)Cc1ccccc1 ZINC001474493466 1062173169 /nfs/dbraw/zinc/17/31/69/1062173169.db2.gz QKUJSMGCBMJZMF-UHFFFAOYSA-N 1 0 301.455 4.473 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C12CCCCC2 ZINC001474497456 1062177057 /nfs/dbraw/zinc/17/70/57/1062177057.db2.gz KSLNEBXFBXFGHM-XUVXKRRUSA-N 1 0 324.468 4.263 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC001459516088 1062179504 /nfs/dbraw/zinc/17/95/04/1062179504.db2.gz RVOLDACQCRFHLJ-LJQANCHMSA-N 1 0 312.363 4.216 20 30 DIEDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC001459523786 1062183867 /nfs/dbraw/zinc/18/38/67/1062183867.db2.gz FDXMTQBUBQMMAH-CABCVRRESA-N 1 0 320.864 4.295 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCC2(CCC2)CO1 ZINC001459535180 1062189884 /nfs/dbraw/zinc/18/98/84/1062189884.db2.gz YVBORSVSLILRDB-ZCNNSNEGSA-N 1 0 324.468 4.107 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001459540081 1062196372 /nfs/dbraw/zinc/19/63/72/1062196372.db2.gz ISFVRUFNFLJZTJ-QGZVFWFLSA-N 1 0 303.421 4.467 20 30 DIEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@H](C)CCC#N ZINC001474514562 1062198195 /nfs/dbraw/zinc/19/81/95/1062198195.db2.gz AGOKXRIOWLYFAM-NUJGCVRESA-N 1 0 300.446 4.408 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001254644369 1062212878 /nfs/dbraw/zinc/21/28/78/1062212878.db2.gz WZHKWVSSXZZDPC-MWLCHTKSSA-N 1 0 302.727 4.141 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001254643939 1062213627 /nfs/dbraw/zinc/21/36/27/1062213627.db2.gz OWGOZCXWKLDMTM-PBHICJAKSA-N 1 0 310.372 4.400 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001254643942 1062213880 /nfs/dbraw/zinc/21/38/80/1062213880.db2.gz OWGOZCXWKLDMTM-WMLDXEAASA-N 1 0 310.372 4.400 20 30 DIEDRO COc1cccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc2)c1 ZINC001254646066 1062213972 /nfs/dbraw/zinc/21/39/72/1062213972.db2.gz JVRYIHAIBQPLPC-QKYXUNIQSA-N 1 0 306.409 4.066 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001254644196 1062214253 /nfs/dbraw/zinc/21/42/53/1062214253.db2.gz VPXGSLDDVNGEMU-VHSXEESVSA-N 1 0 302.727 4.141 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)c2F)C1 ZINC001254649125 1062215139 /nfs/dbraw/zinc/21/51/39/1062215139.db2.gz NLEKIZUCKSAUCT-KWQFWETISA-N 1 0 320.717 4.280 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001254646916 1062215378 /nfs/dbraw/zinc/21/53/78/1062215378.db2.gz DCHIBBQNTJMGGD-GOEBONIOSA-N 1 0 322.374 4.310 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001254659694 1062218676 /nfs/dbraw/zinc/21/86/76/1062218676.db2.gz BFYHYNWPXSJADL-XJKCOSOUSA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC001254657628 1062218836 /nfs/dbraw/zinc/21/88/36/1062218836.db2.gz QXQNZIKJFJBYNG-HOCLYGCPSA-N 1 0 322.374 4.452 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001459577845 1062222303 /nfs/dbraw/zinc/22/23/03/1062222303.db2.gz OVRNRERSHRQWAG-MGPUTAFESA-N 1 0 308.400 4.323 20 30 DIEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)C1 ZINC001254667969 1062223918 /nfs/dbraw/zinc/22/39/18/1062223918.db2.gz FUYHFZPESZUYAP-SCWSEQNSSA-N 1 0 302.421 4.326 20 30 DIEDRO C[C@H](c1cccc(Br)c1)[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254674963 1062227540 /nfs/dbraw/zinc/22/75/40/1062227540.db2.gz BFDQWHFVERREKT-LALPHHSUSA-N 1 0 307.235 4.134 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254673922 1062227790 /nfs/dbraw/zinc/22/77/90/1062227790.db2.gz REGUZJRTGBLZQL-GDLHICMESA-N 1 0 321.251 4.259 20 30 DIEDRO CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254674381 1062227915 /nfs/dbraw/zinc/22/79/15/1062227915.db2.gz YEPYRHITURATQU-HBGVWJBISA-N 1 0 322.452 4.276 20 30 DIEDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC001254679612 1062229395 /nfs/dbraw/zinc/22/93/95/1062229395.db2.gz NQCRZKQPPBQMAE-KBAYOESNSA-N 1 0 312.457 4.345 20 30 DIEDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC001254679613 1062230993 /nfs/dbraw/zinc/23/09/93/1062230993.db2.gz NQCRZKQPPBQMAE-NXHRZFHOSA-N 1 0 312.457 4.345 20 30 DIEDRO C#C[C@@H]([NH2+]C1CC2(C1)CCCC2)c1ccc(Br)cc1 ZINC001474545239 1062238936 /nfs/dbraw/zinc/23/89/36/1062238936.db2.gz CGZOPQAUWKWYQE-MRXNPFEDSA-N 1 0 318.258 4.436 20 30 DIEDRO C#C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(Br)cc1 ZINC001474545348 1062240045 /nfs/dbraw/zinc/24/00/45/1062240045.db2.gz CHINOXDZHJKWQB-XJKSGUPXSA-N 1 0 304.231 4.069 20 30 DIEDRO C=CCCC[NH2+][C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254734824 1062242284 /nfs/dbraw/zinc/24/22/84/1062242284.db2.gz XOBQYIHPARIKBQ-INIZCTEOSA-N 1 0 322.493 4.112 20 30 DIEDRO CC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001459617297 1062251166 /nfs/dbraw/zinc/25/11/66/1062251166.db2.gz BLYNBPSQKRAHHI-AWEZNQCLSA-N 1 0 311.347 4.059 20 30 DIEDRO CC[C@H]1CCCC[C@H]1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001474555640 1062258827 /nfs/dbraw/zinc/25/88/27/1062258827.db2.gz ZVNXZDDUDBGQDX-PMACEKPBSA-N 1 0 314.473 4.223 20 30 DIEDRO C[N@H+](CCCOc1cccc(C#N)c1)Cc1cc2ccccc2o1 ZINC001459635628 1062269972 /nfs/dbraw/zinc/26/99/72/1062269972.db2.gz RFEMUBJAQVXCHV-UHFFFAOYSA-N 1 0 320.392 4.205 20 30 DIEDRO CC(C)[C@H](C[NH+]1CC(Oc2ccc(C#N)cc2)C1)c1ccccc1 ZINC001474569512 1062275751 /nfs/dbraw/zinc/27/57/51/1062275751.db2.gz CDFKAJRUGYXYLU-NRFANRHFSA-N 1 0 320.436 4.061 20 30 DIEDRO N#CCC1(C[N@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC001459669756 1062288040 /nfs/dbraw/zinc/28/80/40/1062288040.db2.gz JFARANBWPCEFOZ-HNNXBMFYSA-N 1 0 319.246 4.280 20 30 DIEDRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(C#N)CCC1 ZINC001474585535 1062297876 /nfs/dbraw/zinc/29/78/76/1062297876.db2.gz WBTZJIYESONVRX-OAHLLOKOSA-N 1 0 310.363 4.310 20 30 DIEDRO C=CCC(C)(C)CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001468397550 1062313063 /nfs/dbraw/zinc/31/30/63/1062313063.db2.gz IBSCDUPRQSCXLJ-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001459696670 1062315180 /nfs/dbraw/zinc/31/51/80/1062315180.db2.gz UYMGFBLZVWYCKY-RTBURBONSA-N 1 0 314.473 4.201 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](CC(C)(C)c2ccc(Br)cc2)C1 ZINC001474602311 1062315491 /nfs/dbraw/zinc/31/54/91/1062315491.db2.gz OSDHMWDGTCNAOV-CQSZACIVSA-N 1 0 320.274 4.072 20 30 DIEDRO C=CC[N@H+]([C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(C)(C)C ZINC001255149000 1062341543 /nfs/dbraw/zinc/34/15/43/1062341543.db2.gz FAKPMWIOOVQDBH-ACDBMABISA-N 1 0 312.501 4.469 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(C)c(C3OCCO3)cc2C)C1 ZINC001474621894 1062343476 /nfs/dbraw/zinc/34/34/76/1062343476.db2.gz LXPJMXCURDBINS-KRWDZBQOSA-N 1 0 315.457 4.137 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(C)c(C3OCCO3)cc2C)C1 ZINC001474621897 1062343630 /nfs/dbraw/zinc/34/36/30/1062343630.db2.gz LXPJMXCURDBINS-QGZVFWFLSA-N 1 0 315.457 4.137 20 30 DIEDRO C=CCCCCC[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC001459739802 1062350478 /nfs/dbraw/zinc/35/04/78/1062350478.db2.gz HNJMVJNMEUCIKB-SFHVURJKSA-N 1 0 312.498 4.262 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]C1(Cc2ccccc2C(F)(F)F)CCC1 ZINC001255162313 1062351069 /nfs/dbraw/zinc/35/10/69/1062351069.db2.gz NJHLKNKNDJWILO-AWEZNQCLSA-N 1 0 310.363 4.452 20 30 DIEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)C12CCC2 ZINC001474631659 1062355570 /nfs/dbraw/zinc/35/55/70/1062355570.db2.gz MZRVOYKHDLTYOD-CVEARBPZSA-N 1 0 304.478 4.176 20 30 DIEDRO CCCCCCCC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255210213 1062356804 /nfs/dbraw/zinc/35/68/04/1062356804.db2.gz ZGAYRKRQTVYEHA-BCDXTJNWSA-N 1 0 324.509 4.431 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](Cc1ccccc1)C(C)(C)C ZINC001459748272 1062357469 /nfs/dbraw/zinc/35/74/69/1062357469.db2.gz PUFWGORPAZRCAL-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001459749159 1062359721 /nfs/dbraw/zinc/35/97/21/1062359721.db2.gz WFFVTKMYEGARQS-GJZGRUSLSA-N 1 0 302.487 4.003 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC001474647976 1062374544 /nfs/dbraw/zinc/37/45/44/1062374544.db2.gz WSNNHGOGVOMDAY-KRWDZBQOSA-N 1 0 307.441 4.248 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001459798509 1062407848 /nfs/dbraw/zinc/40/78/48/1062407848.db2.gz SRPPWTMASDUPCV-WOJBJXKFSA-N 1 0 301.474 4.191 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1sccc1Br ZINC001474683916 1062415728 /nfs/dbraw/zinc/41/57/28/1062415728.db2.gz BLWXIKICUXWMAF-LLVKDONJSA-N 1 0 302.281 4.388 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)cc2C)c1 ZINC001459814380 1062419201 /nfs/dbraw/zinc/41/92/01/1062419201.db2.gz NJGGSNZAQJIKNN-YCRPNKLZSA-N 1 0 320.436 4.458 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC001459823659 1062428751 /nfs/dbraw/zinc/42/87/51/1062428751.db2.gz CNQXFUQVJYLHJQ-MNOVXSKESA-N 1 0 301.764 4.394 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255391814 1062429162 /nfs/dbraw/zinc/42/91/62/1062429162.db2.gz VAIWQXGPYTYPMD-IBGZPJMESA-N 1 0 312.432 4.328 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255391815 1062429614 /nfs/dbraw/zinc/42/96/14/1062429614.db2.gz VAIWQXGPYTYPMD-LJQANCHMSA-N 1 0 312.432 4.328 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H](c2ccc(F)cc2F)C2CC2)ccc1F ZINC001459841362 1062440151 /nfs/dbraw/zinc/44/01/51/1062440151.db2.gz XRNYUPWPRWEXRJ-SFHVURJKSA-N 1 0 316.326 4.216 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]CCO[C@H](C)C#N)[C@@H]1CCC[C@H](C)C1 ZINC001459851805 1062450585 /nfs/dbraw/zinc/45/05/85/1062450585.db2.gz SPCHUCKGLBCOEW-ZCDKGFTFSA-N 1 0 314.473 4.381 20 30 DIEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC001459859192 1062454027 /nfs/dbraw/zinc/45/40/27/1062454027.db2.gz QKONQDUJTOHZPA-HKUYNNGSSA-N 1 0 314.473 4.117 20 30 DIEDRO Cc1[nH]c2ccccc2c1SCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC001474757858 1062466418 /nfs/dbraw/zinc/46/64/18/1062466418.db2.gz RHFKJDUKDDBURG-ZDUSSCGKSA-N 1 0 315.486 4.486 20 30 DIEDRO N#Cc1cc(C[NH2+]C2CCC(C(F)(F)F)CC2)ccc1Cl ZINC001255513472 1062469196 /nfs/dbraw/zinc/46/91/96/1062469196.db2.gz KNAFJMCEWMUGQS-UHFFFAOYSA-N 1 0 316.754 4.422 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001459892916 1062478300 /nfs/dbraw/zinc/47/83/00/1062478300.db2.gz RTVYZHPVBCQJHE-DLBZAZTESA-N 1 0 324.509 4.358 20 30 DIEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC001459907038 1062488608 /nfs/dbraw/zinc/48/86/08/1062488608.db2.gz QWNJLSQTJVFFDT-FQEVSTJZSA-N 1 0 308.400 4.295 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001255636484 1062492170 /nfs/dbraw/zinc/49/21/70/1062492170.db2.gz OSGSQUVTOQAAOV-ZETCQYMHSA-N 1 0 319.220 4.155 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC001459912460 1062492634 /nfs/dbraw/zinc/49/26/34/1062492634.db2.gz RRPYRXQLXLYPRS-HNNXBMFYSA-N 1 0 303.450 4.352 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC001459929585 1062501907 /nfs/dbraw/zinc/50/19/07/1062501907.db2.gz FBBQGPIBEOITOK-UKRRQHHQSA-N 1 0 310.363 4.338 20 30 DIEDRO [NH2+]=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2ccccc2n1 ZINC001255693160 1062520870 /nfs/dbraw/zinc/52/08/70/1062520870.db2.gz HLPHNKHZVGSNBK-QWHCGFSZSA-N 1 0 321.346 4.061 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255692840 1062521599 /nfs/dbraw/zinc/52/15/99/1062521599.db2.gz FQRFDEMPFXGUJT-DVOMOZLQSA-N 1 0 308.347 4.256 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001255692202 1062521836 /nfs/dbraw/zinc/52/18/36/1062521836.db2.gz NDFVDRRZLZLBNT-HUUCEWRRSA-N 1 0 308.347 4.258 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1cc2ccccc2s1 ZINC001459954800 1062523448 /nfs/dbraw/zinc/52/34/48/1062523448.db2.gz AUUHWXZWGWXEAB-DYVFJYSZSA-N 1 0 322.433 4.157 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001255706022 1062530286 /nfs/dbraw/zinc/53/02/86/1062530286.db2.gz NZZHNIBNXAELFH-CVEARBPZSA-N 1 0 308.347 4.037 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@H]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC001255706943 1062534518 /nfs/dbraw/zinc/53/45/18/1062534518.db2.gz YMJQHHIHYJGVBP-CVEARBPZSA-N 1 0 308.347 4.037 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@@H]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC001255706945 1062535158 /nfs/dbraw/zinc/53/51/58/1062535158.db2.gz YMJQHHIHYJGVBP-HZPDHXFCSA-N 1 0 308.347 4.037 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(F)c(F)c1 ZINC001459980373 1062539142 /nfs/dbraw/zinc/53/91/42/1062539142.db2.gz OBDNFNGFMFBSBY-KYABYICQSA-N 1 0 307.384 4.129 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC001255729477 1062550775 /nfs/dbraw/zinc/55/07/75/1062550775.db2.gz IYVQXTBDFWPAHK-NSHDSACASA-N 1 0 306.431 4.029 20 30 DIEDRO Cc1ccccc1[C@@]1(F)CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC001460013117 1062569483 /nfs/dbraw/zinc/56/94/83/1062569483.db2.gz HFTMTCASFROTEP-OXQOHEQNSA-N 1 0 308.400 4.498 20 30 DIEDRO Cc1ccc(SC[C@@H](C)[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC001255752878 1062571935 /nfs/dbraw/zinc/57/19/35/1062571935.db2.gz LMUKMJUOGZWFJJ-MRXNPFEDSA-N 1 0 310.466 4.180 20 30 DIEDRO C=CC[C@H]1[N@H+](CCc2nc3ccccc3n2C)CCCC1(C)C ZINC001460026502 1062581750 /nfs/dbraw/zinc/58/17/50/1062581750.db2.gz BAQGBEUHWPZLPI-GOSISDBHSA-N 1 0 311.473 4.183 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001460025856 1062582727 /nfs/dbraw/zinc/58/27/27/1062582727.db2.gz ZKNGCLQTTYWUFS-QGZVFWFLSA-N 1 0 300.446 4.085 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001460032204 1062585377 /nfs/dbraw/zinc/58/53/77/1062585377.db2.gz LVLZEFZWNQQXQO-SFHVURJKSA-N 1 0 308.400 4.304 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1CCCc1ccccc1Br ZINC001460038747 1062589302 /nfs/dbraw/zinc/58/93/02/1062589302.db2.gz AIMBMLXMHHIGNH-HNNXBMFYSA-N 1 0 308.263 4.422 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001460044238 1062595065 /nfs/dbraw/zinc/59/50/65/1062595065.db2.gz WAWQHZMTFGMVNR-QGZVFWFLSA-N 1 0 301.430 4.182 20 30 DIEDRO Cc1ccc(C[C@H](C)NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC001255772523 1062595541 /nfs/dbraw/zinc/59/55/41/1062595541.db2.gz JORYTZVMYNBWTF-ZDUSSCGKSA-N 1 0 320.358 4.350 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+](CC3CCCCCC3)CC2)cc1 ZINC001460050059 1062600411 /nfs/dbraw/zinc/60/04/11/1062600411.db2.gz WDHDLDPWRQUEHY-UHFFFAOYSA-N 1 0 312.457 4.372 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C1(C)C ZINC001460071343 1062615160 /nfs/dbraw/zinc/61/51/60/1062615160.db2.gz AITDFHHKTNUFGN-RBUKOAKNSA-N 1 0 314.473 4.249 20 30 DIEDRO C=C(C)C[N@@H+](CCc1ccc(C)cc1)Cc1cnn(C(C)C)c1 ZINC001460089506 1062627758 /nfs/dbraw/zinc/62/77/58/1062627758.db2.gz IAKWMGSRWKRNJM-UHFFFAOYSA-N 1 0 311.473 4.393 20 30 DIEDRO Cc1cccc(C)c1OCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001460090357 1062629258 /nfs/dbraw/zinc/62/92/58/1062629258.db2.gz RLUPBRBYMULFLC-QGZVFWFLSA-N 1 0 308.425 4.295 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001255866539 1062645072 /nfs/dbraw/zinc/64/50/72/1062645072.db2.gz RWYTVRJMERMDSP-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001460143607 1062661815 /nfs/dbraw/zinc/66/18/15/1062661815.db2.gz WAYRIMQBXXLDHI-DZGCQCFKSA-N 1 0 308.263 4.278 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001460160380 1062670648 /nfs/dbraw/zinc/67/06/48/1062670648.db2.gz IQJJGVIWXGSWFD-SPYBWZPUSA-N 1 0 308.400 4.464 20 30 DIEDRO CC(C)(C)OC(=O)CCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC001460156231 1062671276 /nfs/dbraw/zinc/67/12/76/1062671276.db2.gz AVIPZBBNUKCANS-QGZVFWFLSA-N 1 0 316.445 4.133 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460199095 1062695954 /nfs/dbraw/zinc/69/59/54/1062695954.db2.gz WWNYQGSXPRRWNH-UXHICEINSA-N 1 0 320.436 4.236 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccc(C#N)cc1 ZINC001460225738 1062708677 /nfs/dbraw/zinc/70/86/77/1062708677.db2.gz GYLIRPBMDFDUKH-RRQGHBQHSA-N 1 0 300.446 4.191 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256109772 1062710248 /nfs/dbraw/zinc/71/02/48/1062710248.db2.gz PXDCOYAYBCARDC-AZUAARDMSA-N 1 0 320.436 4.253 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256109774 1062710847 /nfs/dbraw/zinc/71/08/47/1062710847.db2.gz PXDCOYAYBCARDC-ICSRJNTNSA-N 1 0 320.436 4.253 20 30 DIEDRO COc1cccc(C[C@@H](C)[NH2+]C(C)(C)c2ccc(C#N)cc2)c1 ZINC001256146593 1062726790 /nfs/dbraw/zinc/72/67/90/1062726790.db2.gz ZRAKRTHBKFDKSC-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH+]1CCC(C)(C#N)CC1 ZINC001256190147 1062745214 /nfs/dbraw/zinc/74/52/14/1062745214.db2.gz KGRZEJFHUNGSMH-CYBMUJFWSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001256188903 1062746491 /nfs/dbraw/zinc/74/64/91/1062746491.db2.gz XCBJUZUWBFFIQS-KBPBESRZSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOC1CCCCCC1 ZINC001460275929 1062749531 /nfs/dbraw/zinc/74/95/31/1062749531.db2.gz FFLANDYHAQDBIS-INIZCTEOSA-N 1 0 300.446 4.290 20 30 DIEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001256220838 1062751549 /nfs/dbraw/zinc/75/15/49/1062751549.db2.gz QIKMBYXINDCWMC-XJKSGUPXSA-N 1 0 308.263 4.162 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001460282560 1062752433 /nfs/dbraw/zinc/75/24/33/1062752433.db2.gz FXQYUIMUWAZENL-MRXNPFEDSA-N 1 0 308.263 4.422 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC001256229156 1062754109 /nfs/dbraw/zinc/75/41/09/1062754109.db2.gz MUWRNMWUYMJAIJ-UKRRQHHQSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]CCCCC#N ZINC001256221093 1062754683 /nfs/dbraw/zinc/75/46/83/1062754683.db2.gz UZLUGVIMBZSTKU-CYBMUJFWSA-N 1 0 309.251 4.054 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001460337113 1062789753 /nfs/dbraw/zinc/78/97/53/1062789753.db2.gz KGOFLOXVGVYGLE-SFHVURJKSA-N 1 0 307.865 4.370 20 30 DIEDRO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCc2ccccc21 ZINC001460337401 1062790740 /nfs/dbraw/zinc/79/07/40/1062790740.db2.gz BENBZVQJVXLDEW-INIZCTEOSA-N 1 0 309.840 4.353 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C1CCC(OCC)CC1 ZINC001256431770 1062818467 /nfs/dbraw/zinc/81/84/67/1062818467.db2.gz KBQHFIRAUQILJB-GTPINHCMSA-N 1 0 303.446 4.250 20 30 DIEDRO C=CCCCCC[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC001460371337 1062820310 /nfs/dbraw/zinc/82/03/10/1062820310.db2.gz ZGRNIVJTZVOFHN-NVXWUHKLSA-N 1 0 317.477 4.194 20 30 DIEDRO CCOC1CCC([N@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001256444749 1062825400 /nfs/dbraw/zinc/82/54/00/1062825400.db2.gz XQCSQESPIUODCO-UHFFFAOYSA-N 1 0 320.864 4.403 20 30 DIEDRO CCOC1CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001256446498 1062828280 /nfs/dbraw/zinc/82/82/80/1062828280.db2.gz FFLHUNIUMZMEOC-UHFFFAOYSA-N 1 0 311.469 4.098 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001460403726 1062835539 /nfs/dbraw/zinc/83/55/39/1062835539.db2.gz FXCBSDANMNTXBF-MRXNPFEDSA-N 1 0 304.437 4.455 20 30 DIEDRO Cc1ccccc1SC[C@@H](C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001460416893 1062844626 /nfs/dbraw/zinc/84/46/26/1062844626.db2.gz JDLSHAVVZTYHJF-DOTOQJQBSA-N 1 0 302.487 4.349 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529555 1062856732 /nfs/dbraw/zinc/85/67/32/1062856732.db2.gz VHSMRZOHSFQKNN-APWZRJJASA-N 1 0 312.432 4.326 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001460447069 1062860439 /nfs/dbraw/zinc/86/04/39/1062860439.db2.gz IUYKERFJYASAGL-UHFFFAOYSA-N 1 0 303.446 4.428 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256561582 1062886233 /nfs/dbraw/zinc/88/62/33/1062886233.db2.gz YUCPIHFYVIGMIR-UYAOXDASSA-N 1 0 300.490 4.328 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC001256563920 1062889778 /nfs/dbraw/zinc/88/97/78/1062889778.db2.gz KWHJXZSVOAQHCP-MRXNPFEDSA-N 1 0 316.489 4.165 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001460522043 1062897704 /nfs/dbraw/zinc/89/77/04/1062897704.db2.gz LPHIFUMXJKGACR-HNNXBMFYSA-N 1 0 301.430 4.040 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1cc(C)ccc1C ZINC001460624984 1062943792 /nfs/dbraw/zinc/94/37/92/1062943792.db2.gz CRSFMUFIXWGQIT-IBGZPJMESA-N 1 0 308.425 4.425 20 30 DIEDRO CC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1OC ZINC001460661118 1062969953 /nfs/dbraw/zinc/96/99/53/1062969953.db2.gz LJZRXFYCBGTDSU-GOSISDBHSA-N 1 0 313.828 4.441 20 30 DIEDRO C[N@@H+](C/C=C\c1ccc(Cl)cc1)CCc1cccc(C#N)c1 ZINC001460667003 1062971304 /nfs/dbraw/zinc/97/13/04/1062971304.db2.gz WAAFWHKFJCTROI-UTCJRWHESA-N 1 0 310.828 4.399 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC001256784486 1062972813 /nfs/dbraw/zinc/97/28/13/1062972813.db2.gz IGZZOEDUPYHJLD-CDHQVMDDSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001460677834 1062985320 /nfs/dbraw/zinc/98/53/20/1062985320.db2.gz XEWQCYBMHZPJJE-FQEVSTJZSA-N 1 0 312.457 4.372 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1CCCSCC#N ZINC001460685559 1062988701 /nfs/dbraw/zinc/98/87/01/1062988701.db2.gz RMEHPYZJHNWJCJ-NVXWUHKLSA-N 1 0 302.487 4.290 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256806834 1062995805 /nfs/dbraw/zinc/99/58/05/1062995805.db2.gz JZKNBJRDWBOBSC-NHCUHLMSSA-N 1 0 320.436 4.323 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001256830962 1063005122 /nfs/dbraw/zinc/00/51/22/1063005122.db2.gz NKAOXTJJKKIZSK-NFAWXSAZSA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001256843026 1063014569 /nfs/dbraw/zinc/01/45/69/1063014569.db2.gz AFUQEALNKJTXOX-KBPBESRZSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[NH+]1CCC(C)(C#N)CC1 ZINC001256847547 1063017955 /nfs/dbraw/zinc/01/79/55/1063017955.db2.gz MBKRFZWFXFGBRA-ZDUSSCGKSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(F)c(Cl)c1)c1cccc(C#N)c1 ZINC001460746090 1063035705 /nfs/dbraw/zinc/03/57/05/1063035705.db2.gz BBGNXJSNVHTHDG-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001460754493 1063040054 /nfs/dbraw/zinc/04/00/54/1063040054.db2.gz NGBYUERXHMZBDL-MRXNPFEDSA-N 1 0 315.461 4.337 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1C ZINC001460750391 1063042349 /nfs/dbraw/zinc/04/23/49/1063042349.db2.gz XTHDQLODRQNGFJ-HNNXBMFYSA-N 1 0 313.828 4.359 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2ccccc2C#N)[C@H]1c1ccccc1 ZINC001460758036 1063045237 /nfs/dbraw/zinc/04/52/37/1063045237.db2.gz RTUYLHNYLKLSHC-OXJNMPFZSA-N 1 0 306.409 4.020 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001256958426 1063057872 /nfs/dbraw/zinc/05/78/72/1063057872.db2.gz CDKHGWVQUPFWFU-UHFFFAOYSA-N 1 0 315.804 4.167 20 30 DIEDRO N#CC1CCC([NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001256958342 1063058584 /nfs/dbraw/zinc/05/85/84/1063058584.db2.gz ZKGWJGDMQCDKOV-UHFFFAOYSA-N 1 0 308.347 4.366 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001256953196 1063059018 /nfs/dbraw/zinc/05/90/18/1063059018.db2.gz DDTBUGARIUJAOW-UHFFFAOYSA-N 1 0 320.436 4.438 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](Cc2ccccc2)c2nccs2)CC1 ZINC001256958783 1063059824 /nfs/dbraw/zinc/05/98/24/1063059824.db2.gz PKADETWMOFJBSW-JCYILVPMSA-N 1 0 311.454 4.099 20 30 DIEDRO COc1ccccc1CC1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256963288 1063061688 /nfs/dbraw/zinc/06/16/88/1063061688.db2.gz FBMIYPMPADYNMQ-UHFFFAOYSA-N 1 0 312.457 4.032 20 30 DIEDRO N#CC1CCC([NH2+]CC2c3ccccc3-c3ccccc32)CC1 ZINC001256963186 1063061947 /nfs/dbraw/zinc/06/19/47/1063061947.db2.gz DVIVZFUBCZSDBJ-UHFFFAOYSA-N 1 0 302.421 4.471 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](c2cccnc2C(F)(F)F)C2CC2)CC1 ZINC001256965320 1063062060 /nfs/dbraw/zinc/06/20/60/1063062060.db2.gz RBAFLCMJMAPRES-ABIUDSBCSA-N 1 0 323.362 4.223 20 30 DIEDRO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CCC(C#N)CC1 ZINC001256964906 1063062439 /nfs/dbraw/zinc/06/24/39/1063062439.db2.gz GNUGYZKZNPVNPL-ZLPCBKJTSA-N 1 0 300.446 4.030 20 30 DIEDRO N#CC1CCC([N@H+](Cc2ccccc2)C2CCSCC2)CC1 ZINC001256971091 1063065031 /nfs/dbraw/zinc/06/50/31/1063065031.db2.gz BYXZBWTXQIWQFL-UHFFFAOYSA-N 1 0 314.498 4.467 20 30 DIEDRO N#CC1CCC([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001256973315 1063065194 /nfs/dbraw/zinc/06/51/94/1063065194.db2.gz ORLGYVGIPNNKBV-HFCFLWKCSA-N 1 0 300.421 4.163 20 30 DIEDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001460802405 1063066830 /nfs/dbraw/zinc/06/68/30/1063066830.db2.gz QZJCMILKWYKLHC-CHWSQXEVSA-N 1 0 321.262 4.189 20 30 DIEDRO C=CCC1(O)CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC001460801049 1063068132 /nfs/dbraw/zinc/06/81/32/1063068132.db2.gz LEYJPVICFNCMIT-UHFFFAOYSA-N 1 0 313.466 4.318 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1cccnc1 ZINC001257008100 1063074359 /nfs/dbraw/zinc/07/43/59/1063074359.db2.gz HLJOOUASACTFDY-MYWSLZCHSA-N 1 0 305.425 4.330 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC001257007713 1063074506 /nfs/dbraw/zinc/07/45/06/1063074506.db2.gz CPRNLYOWAPZOCQ-UHFFFAOYSA-N 1 0 305.425 4.078 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1ccncc1 ZINC001257007577 1063074651 /nfs/dbraw/zinc/07/46/51/1063074651.db2.gz AWRURAYEHMWHGL-APMMTJHUSA-N 1 0 305.425 4.330 20 30 DIEDRO C#CC[N@@H+](CCOc1ccc(Oc2ccccc2)cc1)C(C)C ZINC001460812239 1063075810 /nfs/dbraw/zinc/07/58/10/1063075810.db2.gz CPKPIEDGHQZCOO-UHFFFAOYSA-N 1 0 309.409 4.201 20 30 DIEDRO C[C@@H](COCC1CCCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC001460814094 1063076127 /nfs/dbraw/zinc/07/61/27/1063076127.db2.gz HICDTRCNFBGNGF-HOTGVXAUSA-N 1 0 300.446 4.194 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]Cc3ccccc3C#N)CC2)cc1 ZINC001257011629 1063077052 /nfs/dbraw/zinc/07/70/52/1063077052.db2.gz WGLSDQCTGTVXNZ-UHFFFAOYSA-N 1 0 315.420 4.246 20 30 DIEDRO CC1(C)C[C@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CCO1 ZINC001257010988 1063077947 /nfs/dbraw/zinc/07/79/47/1063077947.db2.gz PEXWTBNCHATQEU-CTWPCTMYSA-N 1 0 312.457 4.132 20 30 DIEDRO N#Cc1ccc(C2CCC(Nc3cccc(F)c3C[NH3+])CC2)cc1 ZINC001257010220 1063078225 /nfs/dbraw/zinc/07/82/25/1063078225.db2.gz UPFPCAHTMXHBTI-UHFFFAOYSA-N 1 0 323.415 4.294 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@@H]3COc4ccccc43)CC2)cc1 ZINC001257010921 1063078397 /nfs/dbraw/zinc/07/83/97/1063078397.db2.gz MTQSEQJQZJQIBO-AFMYVXGZSA-N 1 0 318.420 4.308 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCc3ccc(O)cc3)CC2)cc1 ZINC001257010344 1063078672 /nfs/dbraw/zinc/07/86/72/1063078672.db2.gz ZGKWNOIKIBRISG-UHFFFAOYSA-N 1 0 320.436 4.122 20 30 DIEDRO COC[C@@H]1CCCC[N@@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016821 1063080157 /nfs/dbraw/zinc/08/01/57/1063080157.db2.gz JPANIVGYTSABAI-MHJFOBGBSA-N 1 0 312.457 4.085 20 30 DIEDRO N#Cc1ccc(C2CCC([N@H+]3CCC(F)(F)[C@H](F)C3)CC2)cc1 ZINC001257016401 1063081199 /nfs/dbraw/zinc/08/11/99/1063081199.db2.gz CCQNUQKJYWGZBI-OFLPRAFFSA-N 1 0 322.374 4.264 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@H](F)CC3)CC2)cc1 ZINC001257017429 1063081814 /nfs/dbraw/zinc/08/18/14/1063081814.db2.gz TWSARFHDOWHNSR-XBMUEBEBSA-N 1 0 300.421 4.408 20 30 DIEDRO C[C@@]1(F)CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1F ZINC001257017683 1063081946 /nfs/dbraw/zinc/08/19/46/1063081946.db2.gz YHHSBSJGFRTXRQ-WZOJCFFYSA-N 1 0 318.411 4.356 20 30 DIEDRO CO[C@H]1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC001257021846 1063083672 /nfs/dbraw/zinc/08/36/72/1063083672.db2.gz CPCYPEWMDZMBGD-GRCLEANCSA-N 1 0 312.457 4.084 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CCC1 ZINC001460821512 1063084180 /nfs/dbraw/zinc/08/41/80/1063084180.db2.gz RJUNOAHSSSRALV-UHFFFAOYSA-N 1 0 323.436 4.260 20 30 DIEDRO C#CC[N@H+](C[C@H]1CCC2(CCC2)O1)[C@H]1CCCc2ccccc21 ZINC001460839925 1063093214 /nfs/dbraw/zinc/09/32/14/1063093214.db2.gz XVLGHEZVUZBMBI-QUCCMNQESA-N 1 0 309.453 4.101 20 30 DIEDRO C#CC[N@@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCc2ccccc21 ZINC001460840333 1063094441 /nfs/dbraw/zinc/09/44/41/1063094441.db2.gz ZKIOMJQZLBEZHT-OOSNJVJTSA-N 1 0 311.469 4.203 20 30 DIEDRO C#CC[N@H+](C[C@H]1CCC2(CCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001460839929 1063095605 /nfs/dbraw/zinc/09/56/05/1063095605.db2.gz XVLGHEZVUZBMBI-UYAOXDASSA-N 1 0 309.453 4.101 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccccc3CF)CC2)cc1 ZINC001460862970 1063105711 /nfs/dbraw/zinc/10/57/11/1063105711.db2.gz UZPQCDILDULDJK-UHFFFAOYSA-N 1 0 308.400 4.407 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cscc1Br ZINC001460885315 1063114549 /nfs/dbraw/zinc/11/45/49/1063114549.db2.gz DYWIUBISNACTMD-GFCCVEGCSA-N 1 0 300.265 4.441 20 30 DIEDRO C=CC[N@@H+]([C@H](C)Cc1ccc(C(=O)OCC)cc1)C(C)(C)C ZINC001257168925 1063125457 /nfs/dbraw/zinc/12/54/57/1063125457.db2.gz YHNHDSZIJGTUJX-OAHLLOKOSA-N 1 0 303.446 4.081 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(OCC)c(OCC)c2)C1 ZINC001460993874 1063171622 /nfs/dbraw/zinc/17/16/22/1063171622.db2.gz CIRHFOAJVWAKII-FUHWJXTLSA-N 1 0 317.473 4.361 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[NH2+]CC3(C#N)CCC3)ccc2c1 ZINC001257271011 1063174820 /nfs/dbraw/zinc/17/48/20/1063174820.db2.gz STMYMAYFFZPRTN-MRXNPFEDSA-N 1 0 322.452 4.453 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[NH2+]C3CC(C#N)C3)ccc2c1 ZINC001257281608 1063176895 /nfs/dbraw/zinc/17/68/95/1063176895.db2.gz XMRBBHNYZBZPTC-ASFAAARLSA-N 1 0 308.425 4.061 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[NH+]3CCC(C#N)CC3)ccc2c1 ZINC001257277889 1063177726 /nfs/dbraw/zinc/17/77/26/1063177726.db2.gz NNOHXVJRFKISJQ-MRXNPFEDSA-N 1 0 322.452 4.405 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[N@@H+]3CC[C@H](C#N)C3)ccc2c1 ZINC001257286023 1063180785 /nfs/dbraw/zinc/18/07/85/1063180785.db2.gz XEBLNYHNFBBZLQ-DOTOQJQBSA-N 1 0 308.425 4.015 20 30 DIEDRO CCCCCCC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC001461004781 1063181163 /nfs/dbraw/zinc/18/11/63/1063181163.db2.gz LCVBWQCBVNWAJX-UHFFFAOYSA-N 1 0 304.478 4.224 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[N@@H+]3CC[C@@H](C#N)C3)ccc2c1 ZINC001257286026 1063181199 /nfs/dbraw/zinc/18/11/99/1063181199.db2.gz XEBLNYHNFBBZLQ-WBVHZDCISA-N 1 0 308.425 4.015 20 30 DIEDRO COc1ccc(C)cc1CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001461004717 1063181399 /nfs/dbraw/zinc/18/13/99/1063181399.db2.gz JDTNSZRFBQHDIJ-UHFFFAOYSA-N 1 0 322.452 4.137 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccc(C)cc1Cl)C(C)C ZINC001461036002 1063205754 /nfs/dbraw/zinc/20/57/54/1063205754.db2.gz OFBAKWNBRHINAX-LJQANCHMSA-N 1 0 320.908 4.437 20 30 DIEDRO Cc1ccccc1[C@@H]([C@H](C)Nc1cc(F)ccc1C#N)[NH+](C)C ZINC001472778106 1063228764 /nfs/dbraw/zinc/22/87/64/1063228764.db2.gz XJHLSLXLYDOWNY-IFXJQAMLSA-N 1 0 311.404 4.109 20 30 DIEDRO CCCCOC(=O)CC[C@@H](C)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC001257385848 1063249054 /nfs/dbraw/zinc/24/90/54/1063249054.db2.gz MNMPDTSUFPHUBM-CRAIPNDOSA-N 1 0 316.445 4.111 20 30 DIEDRO CCC(C)(C)C1CCC(NC(=[NH2+])c2ccc(Cl)cn2)CC1 ZINC001257402902 1063250292 /nfs/dbraw/zinc/25/02/92/1063250292.db2.gz KKXYRMDMCLANPM-UHFFFAOYSA-N 1 0 307.869 4.435 20 30 DIEDRO CCC(C)(C)C1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001257408273 1063257721 /nfs/dbraw/zinc/25/77/21/1063257721.db2.gz RTGCCGAVUCLCET-GPANFISMSA-N 1 0 307.503 4.256 20 30 DIEDRO CCC[N@H+](CCC#N)[C@@H](C)Cc1ccc(Br)cc1 ZINC001257563951 1063338676 /nfs/dbraw/zinc/33/86/76/1063338676.db2.gz IWDDYLXVQFZWIK-ZDUSSCGKSA-N 1 0 309.251 4.006 20 30 DIEDRO C=C(C)C[N@@H+](CC)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257496934 1063311087 /nfs/dbraw/zinc/31/10/87/1063311087.db2.gz XDVBZDXDPQPROP-UHFFFAOYSA-N 1 0 321.505 4.377 20 30 DIEDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001461177882 1063313716 /nfs/dbraw/zinc/31/37/16/1063313716.db2.gz QRGYEJJHNGDWIE-SJLPKXTDSA-N 1 0 300.446 4.283 20 30 DIEDRO CCCCCCCCCC[C@@H](C)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001257549860 1063328676 /nfs/dbraw/zinc/32/86/76/1063328676.db2.gz FSTQVFDWYDKOHT-OAHLLOKOSA-N 1 0 307.486 4.337 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)=O)C1 ZINC001257549693 1063329504 /nfs/dbraw/zinc/32/95/04/1063329504.db2.gz CFIJBRRYLHIGLF-IEBWSBKVSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC001257546114 1063329874 /nfs/dbraw/zinc/32/98/74/1063329874.db2.gz DMMPTFGYJSNAOU-INIZCTEOSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001257548424 1063329956 /nfs/dbraw/zinc/32/99/56/1063329956.db2.gz VNBCQLYYIZSBKH-QGZVFWFLSA-N 1 0 306.494 4.394 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC001257550219 1063332329 /nfs/dbraw/zinc/33/23/29/1063332329.db2.gz LCPJPLCHROLQDQ-LJQANCHMSA-N 1 0 307.526 4.437 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC001257550218 1063332956 /nfs/dbraw/zinc/33/29/56/1063332956.db2.gz LCPJPLCHROLQDQ-IBGZPJMESA-N 1 0 307.526 4.437 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001257550304 1063333335 /nfs/dbraw/zinc/33/33/35/1063333335.db2.gz LWIGGUJTEXEQNM-KRWDZBQOSA-N 1 0 324.509 4.480 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH2+]Cc1cncc(C(N)=O)c1 ZINC001257550177 1063333714 /nfs/dbraw/zinc/33/37/14/1063333714.db2.gz KGFXCASNVCPAEZ-INIZCTEOSA-N 1 0 319.493 4.189 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001257563503 1063334473 /nfs/dbraw/zinc/33/44/73/1063334473.db2.gz FYBDTMGPVPBZSZ-DZGCQCFKSA-N 1 0 321.262 4.006 20 30 DIEDRO C=CCOc1cccc(CNCc2cc(C(CC)CC)no2)c1 ZINC001461258165 1063368443 /nfs/dbraw/zinc/36/84/43/1063368443.db2.gz PRNRVNJESOFBGH-UHFFFAOYSA-N 1 0 314.429 4.433 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C2(CC)CCC2)cc1OC ZINC001461275804 1063382811 /nfs/dbraw/zinc/38/28/11/1063382811.db2.gz RSAFUJNNQXBZGM-UHFFFAOYSA-N 1 0 309.837 4.336 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCC(OCc3ccccc3)CC2)CC1 ZINC001257824128 1063396132 /nfs/dbraw/zinc/39/61/32/1063396132.db2.gz XDFPBHGFKASFJL-CAAWEGIDSA-N 1 0 312.457 4.186 20 30 DIEDRO C=CCCCC[N@@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC001473104300 1063400603 /nfs/dbraw/zinc/40/06/03/1063400603.db2.gz IZXNZGXMZVKIFQ-GOSISDBHSA-N 1 0 303.446 4.033 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(OCc2ccccc2)CC1 ZINC001257834915 1063403132 /nfs/dbraw/zinc/40/31/32/1063403132.db2.gz XYKHNIMSCXTNHV-IOFNDDMZSA-N 1 0 324.468 4.281 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1F ZINC001473112688 1063411798 /nfs/dbraw/zinc/41/17/98/1063411798.db2.gz SGNJEQYWFKDTNE-LJQANCHMSA-N 1 0 308.400 4.295 20 30 DIEDRO C=CC[N@@H+](CCCCC1CCOCC1)Cc1ccc(OC)cc1 ZINC001473115073 1063415755 /nfs/dbraw/zinc/41/57/55/1063415755.db2.gz MVADXKOIMLGKPR-UHFFFAOYSA-N 1 0 317.473 4.280 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cc(C(F)(F)F)ccn3)C[C@H](C1)C2 ZINC001257888014 1063424218 /nfs/dbraw/zinc/42/42/18/1063424218.db2.gz SQESIQPRBDGBGN-NNQSOWQGSA-N 1 0 310.363 4.325 20 30 DIEDRO C#CC[N@@H+](CCc1ccccc1CC)[C@H]1CCc2ccccc21 ZINC001473122251 1063424836 /nfs/dbraw/zinc/42/48/36/1063424836.db2.gz UWMRFKBESMDEEL-QFIPXVFZSA-N 1 0 303.449 4.414 20 30 DIEDRO C#CCCCC[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC001461339515 1063426972 /nfs/dbraw/zinc/42/69/72/1063426972.db2.gz KNWXSHNQBRZGCH-UHFFFAOYSA-N 1 0 309.409 4.381 20 30 DIEDRO C=C1C[C@@H]2CC(n3cnc(-c4ccc(C[NH3+])cc4)c3)C[C@H](C1)C2 ZINC001257889546 1063428262 /nfs/dbraw/zinc/42/82/62/1063428262.db2.gz FFXVNKRRPOEGEP-JJTKIYQPSA-N 1 0 307.441 4.316 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@](CF)(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001257890885 1063428277 /nfs/dbraw/zinc/42/82/77/1063428277.db2.gz BSAIVDNTKNZQIZ-IZGVIRRGSA-N 1 0 305.359 4.345 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](c3ccc(OC)cn3)C3CC3)C[C@H](C1)C2 ZINC001257890635 1063428492 /nfs/dbraw/zinc/42/84/92/1063428492.db2.gz RWVFRJXWXCBYSY-UCXPIWDSSA-N 1 0 312.457 4.266 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cncn3Cc3ccccc3)C[C@H](C1)C2 ZINC001257890297 1063428734 /nfs/dbraw/zinc/42/87/34/1063428734.db2.gz IHDMMZCNJQIMKS-YOFSQIOKSA-N 1 0 321.468 4.156 20 30 DIEDRO COCC[N@H+](Cc1ccc(C)cc1C)Cc1ccc(C#N)cc1C ZINC001473126120 1063430196 /nfs/dbraw/zinc/43/01/96/1063430196.db2.gz DSVSLGACCFVTRK-UHFFFAOYSA-N 1 0 322.452 4.132 20 30 DIEDRO CC(C)[N@H+](CCCOc1ccc(C#N)cc1)CCc1ccccc1 ZINC001473125527 1063430323 /nfs/dbraw/zinc/43/03/23/1063430323.db2.gz PSSDLUHBPVZPGM-UHFFFAOYSA-N 1 0 322.452 4.280 20 30 DIEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CCOC4(C)C)CC3)C[C@H](C1)C2 ZINC001257894184 1063431654 /nfs/dbraw/zinc/43/16/54/1063431654.db2.gz MUHRGJMJSACBSH-JWTNVVGKSA-N 1 0 303.490 4.402 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCCC1(F)F ZINC001473131822 1063437092 /nfs/dbraw/zinc/43/70/92/1063437092.db2.gz NVHRVJNMRNJWOO-KRWDZBQOSA-N 1 0 304.384 4.372 20 30 DIEDRO C=CC[N@H+](CCCCC1(C#N)CCC1)Cc1cccc(C#N)c1 ZINC001473131923 1063437901 /nfs/dbraw/zinc/43/79/01/1063437901.db2.gz QKGKFECVFXOJHG-UHFFFAOYSA-N 1 0 307.441 4.410 20 30 DIEDRO CCCOc1cccc(CC[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC001461355327 1063441075 /nfs/dbraw/zinc/44/10/75/1063441075.db2.gz AIRGWMYKZPZYBE-UHFFFAOYSA-N 1 0 322.452 4.296 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001473132169 1063441687 /nfs/dbraw/zinc/44/16/87/1063441687.db2.gz UTZKJNCCXIAPIA-WOJBJXKFSA-N 1 0 306.384 4.241 20 30 DIEDRO CC(C)(C)c1ccc2c(c1)CC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001473136894 1063443350 /nfs/dbraw/zinc/44/33/50/1063443350.db2.gz LZKFDUSSFLPDRF-UHFFFAOYSA-N 1 0 318.464 4.457 20 30 DIEDRO CCC#C[C@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC001473139264 1063446295 /nfs/dbraw/zinc/44/62/95/1063446295.db2.gz RKORPVLLCRZRCP-HNNXBMFYSA-N 1 0 314.404 4.147 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)CCO1 ZINC001461386122 1063464156 /nfs/dbraw/zinc/46/41/56/1063464156.db2.gz AFDVTWGXTRODRD-QUCCMNQESA-N 1 0 314.473 4.249 20 30 DIEDRO C=CC[N@H+](C1CCCCC1)C1CCC(CC(=O)OCC)CC1 ZINC001258038286 1063472570 /nfs/dbraw/zinc/47/25/70/1063472570.db2.gz MXZSHOPVWSSQDZ-UHFFFAOYSA-N 1 0 307.478 4.319 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CCC(=O)NCc1ccccc1 ZINC001258038903 1063472713 /nfs/dbraw/zinc/47/27/13/1063472713.db2.gz GNNGSLNFMAVTAK-KRWDZBQOSA-N 1 0 304.478 4.032 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(CC)CC)C1 ZINC001258040490 1063472902 /nfs/dbraw/zinc/47/29/02/1063472902.db2.gz DRFMYKXGCVVUHL-SJLPKXTDSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(c2cccnc2)CC1 ZINC001258041105 1063472996 /nfs/dbraw/zinc/47/29/96/1063472996.db2.gz MMIYFCYFJSSRAH-QGZVFWFLSA-N 1 0 303.494 4.389 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(c2cc(C)ncn2)CC1 ZINC001258043094 1063474735 /nfs/dbraw/zinc/47/47/35/1063474735.db2.gz IVDYPOLIPHYJBB-MRXNPFEDSA-N 1 0 318.509 4.092 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(N)(c2cccnc2)CC1 ZINC001258041360 1063474952 /nfs/dbraw/zinc/47/49/52/1063474952.db2.gz RZAFGPSDJPOJCL-QGZVFWFLSA-N 1 0 303.494 4.080 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cn(Cc2ccccn2)cn1 ZINC001258043271 1063475251 /nfs/dbraw/zinc/47/52/51/1063475251.db2.gz NMAJFHBKKLXVBT-KRWDZBQOSA-N 1 0 314.477 4.165 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](CCO)c1cccc(OC)c1 ZINC001258042221 1063475569 /nfs/dbraw/zinc/47/55/69/1063475569.db2.gz JQUWISWIFPZWSM-LPHOPBHVSA-N 1 0 307.478 4.457 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001258042745 1063475910 /nfs/dbraw/zinc/47/59/10/1063475910.db2.gz XIDIATPNXFAUHL-KRWDZBQOSA-N 1 0 323.525 4.005 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1(c2ncccc2OC)CC1 ZINC001258044268 1063477327 /nfs/dbraw/zinc/47/73/27/1063477327.db2.gz ZUKKBOAJORINGT-MRXNPFEDSA-N 1 0 304.478 4.460 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2nn(CC)cc2[C@@H](COC)C1 ZINC001258045284 1063477851 /nfs/dbraw/zinc/47/78/51/1063477851.db2.gz YUTFPDVLQADZCA-DLBZAZTESA-N 1 0 321.509 4.198 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](CO)c1cccc(COC)c1 ZINC001258044123 1063478169 /nfs/dbraw/zinc/47/81/69/1063478169.db2.gz XWLIBBNZOIHQIK-QFBILLFUSA-N 1 0 307.478 4.205 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001258045167 1063477937 /nfs/dbraw/zinc/47/79/37/1063477937.db2.gz XWCLLACGCBEFKQ-AEFFLSMTSA-N 1 0 321.509 4.105 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H](C)CCCCCCC)CC2 ZINC001258044580 1063478269 /nfs/dbraw/zinc/47/82/69/1063478269.db2.gz RHVJLMVDNUOBOI-SFHVURJKSA-N 1 0 320.521 4.378 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001258045094 1063478510 /nfs/dbraw/zinc/47/85/10/1063478510.db2.gz WJNYUNVHZGUJHQ-DLBZAZTESA-N 1 0 321.509 4.105 20 30 DIEDRO C=CCOCc1nn([C@@H](C)CCCCCCC)c2c1C[NH2+]C2 ZINC001258043723 1063478650 /nfs/dbraw/zinc/47/86/50/1063478650.db2.gz FVTRSTUIXFBVHT-HNNXBMFYSA-N 1 0 305.466 4.110 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2nn(CC)cc2[C@H](COC)C1 ZINC001258045287 1063478704 /nfs/dbraw/zinc/47/87/04/1063478704.db2.gz YUTFPDVLQADZCA-SJORKVTESA-N 1 0 321.509 4.198 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1(c2ccncc2)CCOCC1 ZINC001258043413 1063478736 /nfs/dbraw/zinc/47/87/36/1063478736.db2.gz OVXNZXZROZNXMT-SFHVURJKSA-N 1 0 318.505 4.468 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)n1cc(C[NH3+])cnc1=N ZINC001258050994 1063480791 /nfs/dbraw/zinc/48/07/91/1063480791.db2.gz ANDVUNLMAGUZLN-MRXNPFEDSA-N 1 0 306.498 4.303 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001258049272 1063480901 /nfs/dbraw/zinc/48/09/01/1063480901.db2.gz CXKIMIAWMGIYDC-QGZVFWFLSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(N2CCCOC2=O)CC1 ZINC001258050342 1063481077 /nfs/dbraw/zinc/48/10/77/1063481077.db2.gz SHDFWLPSEKRNTA-MRXNPFEDSA-N 1 0 310.482 4.042 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(C)(C(=O)N2CCCC2)CC1 ZINC001258049698 1063481169 /nfs/dbraw/zinc/48/11/69/1063481169.db2.gz NCZFWDSSAALKQP-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2)[C@H]1CC ZINC001258048363 1063481500 /nfs/dbraw/zinc/48/15/00/1063481500.db2.gz UDKXBVHVHPUOFP-LMMKCTJWSA-N 1 0 308.510 4.259 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(Oc2ncccn2)CC1 ZINC001258049827 1063481736 /nfs/dbraw/zinc/48/17/36/1063481736.db2.gz PFFKEGAMKCTZJE-MRXNPFEDSA-N 1 0 305.466 4.069 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC001473176368 1063481948 /nfs/dbraw/zinc/48/19/48/1063481948.db2.gz VPKYMUKIRJBUJK-RBUKOAKNSA-N 1 0 314.473 4.282 20 30 DIEDRO CCCCCCC[C@H](C)n1nc(C(F)(F)F)c2c1C[NH2+]CC2 ZINC001258049593 1063482523 /nfs/dbraw/zinc/48/25/23/1063482523.db2.gz LOGYBZVLSGRVDP-LBPRGKRZSA-N 1 0 317.399 4.469 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+](C)C1CCN(C(=O)OCC)CC1 ZINC001258049297 1063482540 /nfs/dbraw/zinc/48/25/40/1063482540.db2.gz DLYAJLKVXGPWHR-INIZCTEOSA-N 1 0 312.498 4.288 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCCn2cnc(COCC)c2C1 ZINC001258048649 1063482640 /nfs/dbraw/zinc/48/26/40/1063482640.db2.gz WOPSZQQXEFKBTO-QGZVFWFLSA-N 1 0 321.509 4.374 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001258048241 1063482786 /nfs/dbraw/zinc/48/27/86/1063482786.db2.gz RVCYWYFITSURMV-AZUAARDMSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001258047534 1063483016 /nfs/dbraw/zinc/48/30/16/1063483016.db2.gz LSMZPTQYFVRFFX-OXQOHEQNSA-N 1 0 314.473 4.331 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CCNC(=O)C1 ZINC001258052229 1063484133 /nfs/dbraw/zinc/48/41/33/1063484133.db2.gz MXMKPPRCFFZBPD-MSOLQXFVSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCC[C@H](C)N(c1nccc(C)n1)C1CC[NH2+]CC1 ZINC001258051383 1063484895 /nfs/dbraw/zinc/48/48/95/1063484895.db2.gz GKQUWSGKOXNZIW-KRWDZBQOSA-N 1 0 318.509 4.092 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+][C@H](CO)[C@@H]1CCOC1 ZINC001258052159 1063485673 /nfs/dbraw/zinc/48/56/73/1063485673.db2.gz LNRBWAATMNGXBL-IPMKNSEASA-N 1 0 313.526 4.283 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+][C@@H](CO)[C@@H]1CCOC1 ZINC001258052160 1063485820 /nfs/dbraw/zinc/48/58/20/1063485820.db2.gz LNRBWAATMNGXBL-OTWHNJEPSA-N 1 0 313.526 4.283 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001473188492 1063496033 /nfs/dbraw/zinc/49/60/33/1063496033.db2.gz AKRRBDLZOFJWHA-OALUTQOASA-N 1 0 307.453 4.042 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001473188494 1063496708 /nfs/dbraw/zinc/49/67/08/1063496708.db2.gz AKRRBDLZOFJWHA-RTBURBONSA-N 1 0 307.453 4.042 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001473188491 1063497665 /nfs/dbraw/zinc/49/76/65/1063497665.db2.gz AKRRBDLZOFJWHA-MOPGFXCFSA-N 1 0 307.453 4.042 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H](C)CCC=C(C)C)C2 ZINC001258089341 1063513112 /nfs/dbraw/zinc/51/31/12/1063513112.db2.gz UDRQESCGSODPNC-AZUAARDMSA-N 1 0 318.505 4.154 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H](C)CCC=C(C)C)C2 ZINC001258091846 1063515849 /nfs/dbraw/zinc/51/58/49/1063515849.db2.gz BUXBCHFRJFSITH-HSALFYBXSA-N 1 0 321.505 4.195 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H](C)CCC=C(C)C)CCO2 ZINC001258095014 1063516485 /nfs/dbraw/zinc/51/64/85/1063516485.db2.gz WWBKKBMXVXXFAN-VAMGGRTRSA-N 1 0 321.505 4.195 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CCCC(=O)OCC ZINC001258113700 1063525257 /nfs/dbraw/zinc/52/52/57/1063525257.db2.gz ZLYATHDOVTWVOG-HOTGVXAUSA-N 1 0 319.445 4.024 20 30 DIEDRO Cc1ccc2cc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)[nH]c2c1 ZINC001461476980 1063528490 /nfs/dbraw/zinc/52/84/90/1063528490.db2.gz OEZZMFZVJXHKFI-UHFFFAOYSA-N 1 0 309.800 4.291 20 30 DIEDRO C=CCC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCCC1 ZINC001461498840 1063538658 /nfs/dbraw/zinc/53/86/58/1063538658.db2.gz DMGAPIVFTPREIX-UHFFFAOYSA-N 1 0 302.418 4.438 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001546327373 1063543961 /nfs/dbraw/zinc/54/39/61/1063543961.db2.gz OFLPUHHWFLJISK-ROUUACIJSA-N 1 0 308.510 4.070 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC001461512321 1063544839 /nfs/dbraw/zinc/54/48/39/1063544839.db2.gz DZBUVJWELXZDDD-UHFFFAOYSA-N 1 0 319.399 4.069 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC001461517892 1063550003 /nfs/dbraw/zinc/55/00/03/1063550003.db2.gz ABPYKNFXVCKOFX-UHFFFAOYSA-N 1 0 320.219 4.295 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+][C@H]1CCN(c2ncccn2)C1 ZINC001258230238 1063567502 /nfs/dbraw/zinc/56/75/02/1063567502.db2.gz RXOMZOMUXJFPME-ROUUACIJSA-N 1 0 318.509 4.174 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCc3ccc(C)cc32)cc1 ZINC001461541730 1063568402 /nfs/dbraw/zinc/56/84/02/1063568402.db2.gz ZJLNCHCIDVYXBK-OAQYLSRUSA-N 1 0 305.421 4.174 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCN(CCCOC)CC1 ZINC001258229112 1063568522 /nfs/dbraw/zinc/56/85/22/1063568522.db2.gz MBUFKXPPYIJDAC-IBGZPJMESA-N 1 0 312.542 4.170 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001258228119 1063568728 /nfs/dbraw/zinc/56/87/28/1063568728.db2.gz DJKQSGOBAUKRRG-SJLPKXTDSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001258228254 1063569013 /nfs/dbraw/zinc/56/90/13/1063569013.db2.gz FPWMQWLJVFEFDA-MRXNPFEDSA-N 1 0 320.477 4.487 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]C1CCN(CCOC)CC1 ZINC001258230861 1063571251 /nfs/dbraw/zinc/57/12/51/1063571251.db2.gz CRZMYKHFJHWYFW-GOSISDBHSA-N 1 0 312.542 4.216 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CC2)C1 ZINC001258231670 1063571911 /nfs/dbraw/zinc/57/19/11/1063571911.db2.gz SPDXLOPKWAZGMO-AEFFLSMTSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC(n2cnnc2)CC1 ZINC001258232468 1063571984 /nfs/dbraw/zinc/57/19/84/1063571984.db2.gz REQMBTDLIFSNOR-KRWDZBQOSA-N 1 0 306.498 4.444 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCCCCCC1)CC2 ZINC001258240367 1063575977 /nfs/dbraw/zinc/57/59/77/1063575977.db2.gz QOOHGFHSNIRSKA-FQEVSTJZSA-N 1 0 318.505 4.132 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCCCCCC1)C2 ZINC001258237806 1063576184 /nfs/dbraw/zinc/57/61/84/1063576184.db2.gz QBJDEICHMRAYCK-FQEVSTJZSA-N 1 0 318.505 4.132 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cccc(Br)c1Cl ZINC001461566056 1063583155 /nfs/dbraw/zinc/58/31/55/1063583155.db2.gz GFPGPOHBLZKEAZ-UHFFFAOYSA-N 1 0 315.642 4.132 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](C)CC(F)(F)F ZINC001461580909 1063590992 /nfs/dbraw/zinc/59/09/92/1063590992.db2.gz JLGVELILALMURS-LLVKDONJSA-N 1 0 319.754 4.030 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)cc(OC)c1O ZINC001461581367 1063591020 /nfs/dbraw/zinc/59/10/20/1063591020.db2.gz RMNXKTSMSBLRML-ZOBUZTSGSA-N 1 0 317.473 4.434 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC001461586763 1063594717 /nfs/dbraw/zinc/59/47/17/1063594717.db2.gz DNNGKWKCIYALAO-IZAXUBKRSA-N 1 0 305.462 4.039 20 30 DIEDRO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@H](C#N)C1 ZINC001258313612 1063603716 /nfs/dbraw/zinc/60/37/16/1063603716.db2.gz FSCSIGDWFMJQRW-LSDHHAIUSA-N 1 0 306.475 4.306 20 30 DIEDRO C#CC1CC[NH+]([C@H](C)CC(C)(C)SCc2ccco2)CC1 ZINC001258316050 1063607645 /nfs/dbraw/zinc/60/76/45/1063607645.db2.gz FAKBLHONLCIPTG-OAHLLOKOSA-N 1 0 305.487 4.415 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(COCCOC)cc1 ZINC001461635131 1063626069 /nfs/dbraw/zinc/62/60/69/1063626069.db2.gz WACFOAQKZYRIFZ-UXHICEINSA-N 1 0 317.473 4.074 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+]C(C)(C)c2ccc(C#N)cc2)cc1 ZINC001258388983 1063633437 /nfs/dbraw/zinc/63/34/37/1063633437.db2.gz GEDSATCNYUZBSS-INIZCTEOSA-N 1 0 322.452 4.413 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC001461675092 1063651547 /nfs/dbraw/zinc/65/15/47/1063651547.db2.gz IRMSTQOJBQYUQG-UHFFFAOYSA-N 1 0 314.517 4.276 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC001461677879 1063652737 /nfs/dbraw/zinc/65/27/37/1063652737.db2.gz ZDBSUSKRZDLOSB-CQSZACIVSA-N 1 0 303.446 4.101 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001461676494 1063653288 /nfs/dbraw/zinc/65/32/88/1063653288.db2.gz PLNWGUJTBAJKNC-DLBZAZTESA-N 1 0 309.494 4.471 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H](CC)CCCCC)C2 ZINC001258439376 1063654399 /nfs/dbraw/zinc/65/43/99/1063654399.db2.gz JCIPOGDIHAZNKA-AZUAARDMSA-N 1 0 320.521 4.378 20 30 DIEDRO CC1(C)C[C@H](Nc2cc(F)cc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001461692509 1063659522 /nfs/dbraw/zinc/65/95/22/1063659522.db2.gz LKIQUZWCDDTZGB-IBGZPJMESA-N 1 0 323.415 4.162 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cc(C)ccc1C ZINC001461696968 1063664312 /nfs/dbraw/zinc/66/43/12/1063664312.db2.gz WNLKCHWDYMKIJG-IBGZPJMESA-N 1 0 308.425 4.425 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1C ZINC001461703644 1063668131 /nfs/dbraw/zinc/66/81/31/1063668131.db2.gz LWGCFCIBTTVVJT-XSAUMEDDSA-N 1 0 316.448 4.254 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc2[nH]ccc21 ZINC001461704121 1063669822 /nfs/dbraw/zinc/66/98/22/1063669822.db2.gz VDCZWQYBKGBTBP-UHFFFAOYSA-N 1 0 324.811 4.123 20 30 DIEDRO CCOC(=O)CC[C@@H](C)[N@H+](CCC#N)C1CCCCCCC1 ZINC001258493556 1063673376 /nfs/dbraw/zinc/67/33/76/1063673376.db2.gz BADSNWPKXRHYAR-MRXNPFEDSA-N 1 0 308.466 4.047 20 30 DIEDRO C#CC1([NH2+]Cc2cccc(Cl)c2Br)CCCC1 ZINC001461714090 1063673743 /nfs/dbraw/zinc/67/37/43/1063673743.db2.gz LWJVRPOPQGKUIQ-UHFFFAOYSA-N 1 0 312.638 4.138 20 30 DIEDRO CCOC(=O)CC[C@H](C)[N@H+](CCC#N)C1CCCCCCC1 ZINC001258493554 1063673731 /nfs/dbraw/zinc/67/37/31/1063673731.db2.gz BADSNWPKXRHYAR-INIZCTEOSA-N 1 0 308.466 4.047 20 30 DIEDRO C#CC1([NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CCCC1 ZINC001461716609 1063675681 /nfs/dbraw/zinc/67/56/81/1063675681.db2.gz PGUSUYQDQQLPCY-UHFFFAOYSA-N 1 0 310.466 4.463 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001461732737 1063685887 /nfs/dbraw/zinc/68/58/87/1063685887.db2.gz XLXKXNGHVKGQSE-CQSZACIVSA-N 1 0 312.369 4.010 20 30 DIEDRO C#CC(CC)(CC)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258534649 1063687958 /nfs/dbraw/zinc/68/79/58/1063687958.db2.gz MGTHWAVRZVIAGA-UHFFFAOYSA-N 1 0 304.865 4.090 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC001461757359 1063688334 /nfs/dbraw/zinc/68/83/34/1063688334.db2.gz XZWXHQXEIKIOSO-NSHDSACASA-N 1 0 309.251 4.093 20 30 DIEDRO C#CCN1CCC[C@H]([NH2+]C/C(=C/c2ccccc2)CCCCC)C1 ZINC001461751205 1063695429 /nfs/dbraw/zinc/69/54/29/1063695429.db2.gz FFQVVXPBRGWWBX-NELHNXLGSA-N 1 0 324.512 4.338 20 30 DIEDRO C#CCN1CCC[C@@H]([NH2+]C/C(=C/c2ccccc2)CCCCC)C1 ZINC001461751206 1063696226 /nfs/dbraw/zinc/69/62/26/1063696226.db2.gz FFQVVXPBRGWWBX-STLXWTDXSA-N 1 0 324.512 4.338 20 30 DIEDRO COc1cc(C[NH2+]Cc2cc(C#N)ccc2F)cc2ccccc21 ZINC001461758082 1063699728 /nfs/dbraw/zinc/69/97/28/1063699728.db2.gz VXHDCLPOYLHQLQ-UHFFFAOYSA-N 1 0 320.367 4.149 20 30 DIEDRO Cc1cc(C[NH2+]CC[C@@H]2C[C@H]2Cc2ccccc2)ccc1C#N ZINC001461806743 1063726874 /nfs/dbraw/zinc/72/68/74/1063726874.db2.gz MWHIFQBYOLFINV-TZIWHRDSSA-N 1 0 304.437 4.225 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCc2ccccc21 ZINC001461862332 1063757420 /nfs/dbraw/zinc/75/74/20/1063757420.db2.gz CEQXUDSDZJTHKU-HXUWFJFHSA-N 1 0 304.437 4.499 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(F)c(OC)c1 ZINC001461874021 1063763061 /nfs/dbraw/zinc/76/30/61/1063763061.db2.gz MJTHUTLKIFLLPA-UHFFFAOYSA-N 1 0 315.388 4.031 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H](CO)c1ccccn1 ZINC001258713557 1063770078 /nfs/dbraw/zinc/77/00/78/1063770078.db2.gz APLGQARSFMSNNT-PKOBYXMFSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001258713559 1063770335 /nfs/dbraw/zinc/77/03/35/1063770335.db2.gz ATGFOIFRJCOGDU-SFHVURJKSA-N 1 0 306.494 4.250 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H](CO)c1cccnc1 ZINC001258714327 1063770420 /nfs/dbraw/zinc/77/04/20/1063770420.db2.gz LPAJKBKBSMHZOW-RBUKOAKNSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCN(CCC#N)CC1 ZINC001258713677 1063770787 /nfs/dbraw/zinc/77/07/87/1063770787.db2.gz BAGJDTDHDKDWLV-IBGZPJMESA-N 1 0 307.526 4.293 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001258714972 1063772602 /nfs/dbraw/zinc/77/26/02/1063772602.db2.gz ZEPMFGGJEMQHLZ-SFHVURJKSA-N 1 0 322.537 4.364 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]C1CCN(C2COC2)CC1 ZINC001258715332 1063773370 /nfs/dbraw/zinc/77/33/70/1063773370.db2.gz CVUKJSKDNZPVEI-IBGZPJMESA-N 1 0 324.553 4.214 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001258717266 1063773493 /nfs/dbraw/zinc/77/34/93/1063773493.db2.gz NTWFWTIJIRBDEC-YESZJQIVSA-N 1 0 324.509 4.214 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001258718923 1063774026 /nfs/dbraw/zinc/77/40/26/1063774026.db2.gz XUSRCMQQPGWAEY-VQHPVUNQSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCC[C@@H](C)n1cc(CC[NH3+])c2ccc(Br)cc21 ZINC001258718010 1063774050 /nfs/dbraw/zinc/77/40/50/1063774050.db2.gz CAPYYWPEKBYIDC-GFCCVEGCSA-N 1 0 321.262 4.432 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001258720093 1063774983 /nfs/dbraw/zinc/77/49/83/1063774983.db2.gz REPOWJXJXCALMY-HOTGVXAUSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001258717693 1063775460 /nfs/dbraw/zinc/77/54/60/1063775460.db2.gz XEMJJXRBKSYUKY-VQIMIIECSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001258720980 1063776985 /nfs/dbraw/zinc/77/69/85/1063776985.db2.gz KGWQQRDVCGNSOD-GJZGRUSLSA-N 1 0 323.440 4.048 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2Cl)cn1 ZINC001258723730 1063777117 /nfs/dbraw/zinc/77/71/17/1063777117.db2.gz CYAYJBNCAAZWMB-CQSZACIVSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001258720826 1063777426 /nfs/dbraw/zinc/77/74/26/1063777426.db2.gz GVRUOPOVDWWLER-WMZOPIPTSA-N 1 0 317.473 4.274 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2C)CC1 ZINC001258723579 1063777480 /nfs/dbraw/zinc/77/74/80/1063777480.db2.gz ZGDDRWGUSTYBSY-MRXNPFEDSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001258725331 1063779055 /nfs/dbraw/zinc/77/90/55/1063779055.db2.gz KFWHIGCDPMUOJV-LPHOPBHVSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001258725338 1063779654 /nfs/dbraw/zinc/77/96/54/1063779654.db2.gz KFWHIGCDPMUOJV-QFBILLFUSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1csc(-c2cccc(OC)c2)n1 ZINC001258725265 1063779772 /nfs/dbraw/zinc/77/97/72/1063779772.db2.gz IKPVCBHYPLYNKL-ZDUSSCGKSA-N 1 0 302.443 4.263 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726927 1063779827 /nfs/dbraw/zinc/77/98/27/1063779827.db2.gz YWVZSRMZLAWVCM-APWZRJJASA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(N(C)Cc2ccccc2F)CC1 ZINC001258732840 1063780493 /nfs/dbraw/zinc/78/04/93/1063780493.db2.gz CHGNZRPYRDHLBZ-MRXNPFEDSA-N 1 0 304.453 4.077 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(Oc2ccc(C)cc2OC)CC1 ZINC001258732593 1063780781 /nfs/dbraw/zinc/78/07/81/1063780781.db2.gz NUDUZTPWVDEAEO-MRXNPFEDSA-N 1 0 303.446 4.202 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001258730774 1063781528 /nfs/dbraw/zinc/78/15/28/1063781528.db2.gz NSCJSDXIFKPPJI-HNNXBMFYSA-N 1 0 321.424 4.348 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@H]2C[C@H](c3nc(C)c(C)s3)O[C@@H]2C1 ZINC001258728110 1063781694 /nfs/dbraw/zinc/78/16/94/1063781694.db2.gz LIKCCXKOOPCOSM-VJUNAUMWSA-N 1 0 320.502 4.267 20 30 DIEDRO C=CCC[C@H](C)n1nc(C2CC[NH2+]CC2)c2ccc(F)cc21 ZINC001258732946 1063781713 /nfs/dbraw/zinc/78/17/13/1063781713.db2.gz SECCURZZQYMCKF-ZDUSSCGKSA-N 1 0 301.409 4.170 20 30 DIEDRO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2 ZINC001258731999 1063781783 /nfs/dbraw/zinc/78/17/83/1063781783.db2.gz HDNQAXHEWOSPMP-OWLYRPNTSA-N 1 0 316.493 4.233 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258728941 1063782184 /nfs/dbraw/zinc/78/21/84/1063782184.db2.gz RKDRFPRTDVKXIX-MRXNPFEDSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CC2(C1)CCCN(C(=O)OC(C)(C)C)CC2 ZINC001258732180 1063782665 /nfs/dbraw/zinc/78/26/65/1063782665.db2.gz JOCBYMUXGIYUJU-MRXNPFEDSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@@H](C)[N@H+]([C@H](C)c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC001258734522 1063784600 /nfs/dbraw/zinc/78/46/00/1063784600.db2.gz ZTZUZASJCHUYFG-DBXWQHBBSA-N 1 0 312.501 4.499 20 30 DIEDRO C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001258735541 1063784667 /nfs/dbraw/zinc/78/46/67/1063784667.db2.gz VTYJRXPCOXRRQI-INIZCTEOSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734188 1063784891 /nfs/dbraw/zinc/78/48/91/1063784891.db2.gz UVINRVLGFYPBKC-CVEARBPZSA-N 1 0 310.482 4.061 20 30 DIEDRO C#CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)Cc1ccc(F)cc1 ZINC001461902059 1063785062 /nfs/dbraw/zinc/78/50/62/1063785062.db2.gz QQTIVNXGWMTPDH-WAYWQWQTSA-N 1 0 322.427 4.040 20 30 DIEDRO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2Cc2cccc(C#N)n2)cc1 ZINC001461902572 1063787726 /nfs/dbraw/zinc/78/77/26/1063787726.db2.gz MCCINVOLGCJCCP-OXQOHEQNSA-N 1 0 305.425 4.235 20 30 DIEDRO C[C@H](Cc1cccc(Cl)c1)[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001258740238 1063789095 /nfs/dbraw/zinc/78/90/95/1063789095.db2.gz OPIFACYPUWJRNU-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO CCC[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCc2ccccc2C1 ZINC001461915980 1063797262 /nfs/dbraw/zinc/79/72/62/1063797262.db2.gz WHESRHVNJXQSSN-IBGZPJMESA-N 1 0 322.427 4.467 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1cccc(C#N)n1 ZINC001461914805 1063797731 /nfs/dbraw/zinc/79/77/31/1063797731.db2.gz QRBOGRFEBBZFJY-UONOGXRCSA-N 1 0 313.832 4.231 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@H](CCC)CCCC)CCC2 ZINC001258760791 1063806296 /nfs/dbraw/zinc/80/62/96/1063806296.db2.gz VFIAAEDIRMYAFR-QGZVFWFLSA-N 1 0 319.493 4.150 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+](C(CC(C)C)CC(C)C)CC2 ZINC001258835356 1063858241 /nfs/dbraw/zinc/85/82/41/1063858241.db2.gz WKEQZNBTGHVUBR-UHFFFAOYSA-N 1 0 320.521 4.090 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(OCC)c(F)c1)[C@H]1CCc2ccccc21 ZINC001461986928 1063859171 /nfs/dbraw/zinc/85/91/71/1063859171.db2.gz GEMWXZJSTRZUNC-FQEVSTJZSA-N 1 0 323.411 4.347 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001461988802 1063861727 /nfs/dbraw/zinc/86/17/27/1063861727.db2.gz XTLNVWQYOAZCFA-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001461995283 1063866307 /nfs/dbraw/zinc/86/63/07/1063866307.db2.gz QUTAIPUWQOATHU-DAYGRLMNSA-N 1 0 317.860 4.363 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)cc1 ZINC001462002411 1063873426 /nfs/dbraw/zinc/87/34/26/1063873426.db2.gz PUUNHMXZKQSQTL-AUUYWEPGSA-N 1 0 313.828 4.187 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)cc1 ZINC001462002414 1063873988 /nfs/dbraw/zinc/87/39/88/1063873988.db2.gz PUUNHMXZKQSQTL-IFXJQAMLSA-N 1 0 313.828 4.187 20 30 DIEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001462089070 1063922492 /nfs/dbraw/zinc/92/24/92/1063922492.db2.gz XIISSVNAANCVHV-QUCCMNQESA-N 1 0 322.456 4.017 20 30 DIEDRO CCCCCCCCCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261459381 1063926721 /nfs/dbraw/zinc/92/67/21/1063926721.db2.gz KLRCBPVTJCLBHF-UHFFFAOYSA-N 1 0 308.510 4.119 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccs1 ZINC000589503129 1064005258 /nfs/dbraw/zinc/00/52/58/1064005258.db2.gz MLLIPDBJGWNTOF-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C[C@@H]1c2ccccc2OCCN1Cc1ccc(C#N)cc1Cl ZINC000615226229 1064248050 /nfs/dbraw/zinc/24/80/50/1064248050.db2.gz ULJDIVTZQVKLGJ-CYBMUJFWSA-N 1 0 312.800 4.167 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000701891189 1064271610 /nfs/dbraw/zinc/27/16/10/1064271610.db2.gz ODDXMOQLSHSNQM-INIZCTEOSA-N 1 0 322.290 4.498 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000701909952 1064272575 /nfs/dbraw/zinc/27/25/75/1064272575.db2.gz FVMIHGYITMWYDA-HUUCEWRRSA-N 1 0 322.493 4.014 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000393356319 1064274157 /nfs/dbraw/zinc/27/41/57/1064274157.db2.gz VDVMKDVTUFXFRS-GFCCVEGCSA-N 1 0 316.287 4.021 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccc(OC)c(Br)c2)CC1 ZINC000724446324 1064343413 /nfs/dbraw/zinc/34/34/13/1064343413.db2.gz GSDRVMMDCUWBOR-UHFFFAOYSA-N 1 0 324.262 4.294 20 30 DIEDRO CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1cccc(C#N)c1 ZINC001279745150 1064365906 /nfs/dbraw/zinc/36/59/06/1064365906.db2.gz AWLAENFZPUAMKW-AHRSYUTCSA-N 1 0 311.473 4.038 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)CCC[C@@H]1CC)C(C)C ZINC001292957941 1064794161 /nfs/dbraw/zinc/79/41/61/1064794161.db2.gz CLIBHEAXYXLPAY-NLWGTHIKSA-N 1 0 320.521 4.018 20 30 DIEDRO CCCCCCCCC[C@H](C)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001298378275 1065004722 /nfs/dbraw/zinc/00/47/22/1065004722.db2.gz XCYWMAKRVWOSKL-GBESFXJTSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001303988338 1065126516 /nfs/dbraw/zinc/12/65/16/1065126516.db2.gz HQGIXGRHDSTILZ-TUQDCPSNSA-N 1 0 308.510 4.140 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC001306914591 1065203016 /nfs/dbraw/zinc/20/30/16/1065203016.db2.gz JNSYXOOTXCJTLD-FQEVSTJZSA-N 1 0 323.415 4.255 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC001307417990 1065378788 /nfs/dbraw/zinc/37/87/88/1065378788.db2.gz IMDHZGKFGLLWEH-FQEVSTJZSA-N 1 0 320.436 4.164 20 30 DIEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC001307421671 1065383730 /nfs/dbraw/zinc/38/37/30/1065383730.db2.gz IYLIYWWPMXSCGY-KRWDZBQOSA-N 1 0 313.401 4.011 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC001307420834 1065384005 /nfs/dbraw/zinc/38/40/05/1065384005.db2.gz MODWBIIGCUHYSF-UHFFFAOYSA-N 1 0 308.400 4.479 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(OC)c1C ZINC001307423817 1065384419 /nfs/dbraw/zinc/38/44/19/1065384419.db2.gz NBRUGUKUUBETGM-UHFFFAOYSA-N 1 0 311.425 4.200 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC001307427666 1065388229 /nfs/dbraw/zinc/38/82/29/1065388229.db2.gz GVWYADPJOAJHHY-UHFFFAOYSA-N 1 0 320.436 4.369 20 30 DIEDRO C#CC[N@@H+](C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC001307431272 1065390330 /nfs/dbraw/zinc/39/03/30/1065390330.db2.gz VNGRUODKIBSFNA-LEWJYISDSA-N 1 0 323.411 4.136 20 30 DIEDRO C#CC[N@@H+](C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001307431274 1065391256 /nfs/dbraw/zinc/39/12/56/1065391256.db2.gz VNGRUODKIBSFNA-RTWAWAEBSA-N 1 0 323.411 4.136 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cnc2ccccc2c1 ZINC001307444987 1065404193 /nfs/dbraw/zinc/40/41/93/1065404193.db2.gz QESFJDDPFMLDNZ-UHFFFAOYSA-N 1 0 302.421 4.466 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)CC1([C@@H]2CCCCO2)CCC1 ZINC001307444830 1065405111 /nfs/dbraw/zinc/40/51/11/1065405111.db2.gz KMCLCQZLZDHKLK-IBGZPJMESA-N 1 0 315.432 4.000 20 30 DIEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC001307467159 1065417831 /nfs/dbraw/zinc/41/78/31/1065417831.db2.gz LYHGDAKSTDOBBC-HXUWFJFHSA-N 1 0 308.425 4.266 20 30 DIEDRO C=CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1)CC1CCCCC1 ZINC001307470485 1065418758 /nfs/dbraw/zinc/41/87/58/1065418758.db2.gz LDPBKFNUBQWWSB-SFHVURJKSA-N 1 0 307.865 4.442 20 30 DIEDRO CC[N@H+](CC1CCC(C#N)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC001307469364 1065419673 /nfs/dbraw/zinc/41/96/73/1065419673.db2.gz AZZGYTAVTNVFLI-IPJUCJBFSA-N 1 0 314.473 4.278 20 30 DIEDRO N#CC1CCC(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC001307477321 1065424023 /nfs/dbraw/zinc/42/40/23/1065424023.db2.gz DARBUBAVGQWZQP-ABHNRTSZSA-N 1 0 300.421 4.020 20 30 DIEDRO Fc1ccc(C#CC[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC001307481844 1065427628 /nfs/dbraw/zinc/42/76/28/1065427628.db2.gz JYUHSXUCRMRHSX-UHFFFAOYSA-N 1 0 311.375 4.196 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001307484051 1065429633 /nfs/dbraw/zinc/42/96/33/1065429633.db2.gz ZPZCOHJVGRZHDH-ZWKOTPCHSA-N 1 0 318.436 4.113 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1cc(C#N)ccn1)CC1CCC1 ZINC001307483803 1065430890 /nfs/dbraw/zinc/43/08/90/1065430890.db2.gz VNPVEHUWWCBELB-MRXNPFEDSA-N 1 0 305.425 4.317 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307485939 1065430927 /nfs/dbraw/zinc/43/09/27/1065430927.db2.gz PZYJYRGBIPBMCH-KRWDZBQOSA-N 1 0 324.509 4.312 20 30 DIEDRO CCC[N@H+](CCCCC1(C#N)CCC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001307486283 1065432398 /nfs/dbraw/zinc/43/23/98/1065432398.db2.gz DTZIZRFHUCRBFL-RCCFBDPRSA-N 1 0 318.505 4.376 20 30 DIEDRO CCC[C@]1(C)CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001307497784 1065441168 /nfs/dbraw/zinc/44/11/68/1065441168.db2.gz GIPZWXLRLZDKDK-LJQANCHMSA-N 1 0 300.446 4.229 20 30 DIEDRO CC[N@@H+](Cc1c(C)cc(C#N)cc1C)C[C@@H](O)c1ccc(C)cc1 ZINC001307496904 1065442387 /nfs/dbraw/zinc/44/23/87/1065442387.db2.gz QCSUALJYKSRVFP-OAQYLSRUSA-N 1 0 322.452 4.039 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)s2)C12CCCCC2 ZINC001307503456 1065446254 /nfs/dbraw/zinc/44/62/54/1065446254.db2.gz ORCPHFZQEDPFND-DLBZAZTESA-N 1 0 318.486 4.179 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001307510011 1065450515 /nfs/dbraw/zinc/45/05/15/1065450515.db2.gz DNSXBOBYUVOFIR-LJQANCHMSA-N 1 0 316.489 4.241 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001307510010 1065450731 /nfs/dbraw/zinc/45/07/31/1065450731.db2.gz DNSXBOBYUVOFIR-IBGZPJMESA-N 1 0 316.489 4.241 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)C[C@H](C)c1ccc(OC)cc1 ZINC001307512794 1065452867 /nfs/dbraw/zinc/45/28/67/1065452867.db2.gz HPBLNTCXTPQYQN-INIZCTEOSA-N 1 0 302.462 4.451 20 30 DIEDRO C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC001307515091 1065455973 /nfs/dbraw/zinc/45/59/73/1065455973.db2.gz XBKBGIHUXBSLOT-OXJNMPFZSA-N 1 0 306.409 4.020 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c1 ZINC001307534124 1065468631 /nfs/dbraw/zinc/46/86/31/1065468631.db2.gz DPMYSYHEZPVCBQ-RTWAWAEBSA-N 1 0 302.421 4.460 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1(CC)CC ZINC001307552198 1065478495 /nfs/dbraw/zinc/47/84/95/1065478495.db2.gz TUDYQYFMJNLESO-HZPDHXFCSA-N 1 0 306.475 4.035 20 30 DIEDRO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001307554357 1065480538 /nfs/dbraw/zinc/48/05/38/1065480538.db2.gz LVALJRLNQAWIMF-UHFFFAOYSA-N 1 0 301.390 4.010 20 30 DIEDRO C=CC[N@H+](CCCOc1c(C)cccc1C)CCc1ccco1 ZINC001307623323 1065524967 /nfs/dbraw/zinc/52/49/67/1065524967.db2.gz YVGMVZUEWWUUCR-UHFFFAOYSA-N 1 0 313.441 4.396 20 30 DIEDRO C#CCOCC[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001307628572 1065525981 /nfs/dbraw/zinc/52/59/81/1065525981.db2.gz LMQBXCXZRLSVRP-SFHVURJKSA-N 1 0 305.849 4.201 20 30 DIEDRO C#CCOCC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001307628570 1065526061 /nfs/dbraw/zinc/52/60/61/1065526061.db2.gz LMQBXCXZRLSVRP-GOSISDBHSA-N 1 0 305.849 4.201 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H]1Cc2cc(OC)ccc2O1)c1ccccc1 ZINC001307627326 1065526288 /nfs/dbraw/zinc/52/62/88/1065526288.db2.gz SWOWVCVAEDIKNO-VQTJNVASSA-N 1 0 323.436 4.296 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC001307626744 1065527702 /nfs/dbraw/zinc/52/77/02/1065527702.db2.gz MRXMDCZTBLJYKM-FUHWJXTLSA-N 1 0 314.473 4.117 20 30 DIEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]CC1(CC#N)CC1)C(C)(C)C ZINC001307637229 1065533155 /nfs/dbraw/zinc/53/31/55/1065533155.db2.gz ONXRHJKJIBUQMZ-QGZVFWFLSA-N 1 0 314.473 4.380 20 30 DIEDRO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC001307647784 1065539070 /nfs/dbraw/zinc/53/90/70/1065539070.db2.gz VFUKABQYLJPHHK-UWJYYQICSA-N 1 0 321.468 4.067 20 30 DIEDRO N#CCC1(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC001307655133 1065544060 /nfs/dbraw/zinc/54/40/60/1065544060.db2.gz XDOFMXUKVBWVRG-HNNXBMFYSA-N 1 0 318.848 4.125 20 30 DIEDRO C#CC(C)(C)[N@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001307679092 1065559811 /nfs/dbraw/zinc/55/98/11/1065559811.db2.gz JRZQVGRVNDUPEG-UHFFFAOYSA-N 1 0 316.242 4.446 20 30 DIEDRO CO[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[C@H]1C ZINC001307687601 1065564670 /nfs/dbraw/zinc/56/46/70/1065564670.db2.gz FRTVLRZAXHLOIS-IERDGZPVSA-N 1 0 320.436 4.082 20 30 DIEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001307691527 1065566501 /nfs/dbraw/zinc/56/65/01/1065566501.db2.gz SUMMMLFZTYVTDL-YOEHRIQHSA-N 1 0 315.417 4.161 20 30 DIEDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001307697273 1065569081 /nfs/dbraw/zinc/56/90/81/1065569081.db2.gz RZZXEUVBSCTQJJ-CVEARBPZSA-N 1 0 308.878 4.366 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001307733676 1065593513 /nfs/dbraw/zinc/59/35/13/1065593513.db2.gz XKBYAMDSHFSCFT-DOMZBBRYSA-N 1 0 300.229 4.067 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2C)C12CCCCC2 ZINC001307743392 1065601371 /nfs/dbraw/zinc/60/13/71/1065601371.db2.gz GHKCSGMSELUIIJ-MOPGFXCFSA-N 1 0 312.457 4.084 20 30 DIEDRO C#CCCCCCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC001307748170 1065602807 /nfs/dbraw/zinc/60/28/07/1065602807.db2.gz PLDMCFGOHDHRQZ-ZWKOTPCHSA-N 1 0 317.498 4.071 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1F ZINC001307750114 1065604945 /nfs/dbraw/zinc/60/49/45/1065604945.db2.gz XUYFTRJGQWKMJM-ZCNNSNEGSA-N 1 0 320.411 4.465 20 30 DIEDRO CCCCCCCCCC[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC001307760377 1065609737 /nfs/dbraw/zinc/60/97/37/1065609737.db2.gz UPWCWMPNFGSRQO-SQGPQFPESA-N 1 0 301.540 4.359 20 30 DIEDRO CCCCCCCC[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001307774662 1065616416 /nfs/dbraw/zinc/61/64/16/1065616416.db2.gz CXYGLYBBCXLEBH-UHFFFAOYSA-N 1 0 312.498 4.334 20 30 DIEDRO CS[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001307802739 1065628232 /nfs/dbraw/zinc/62/82/32/1065628232.db2.gz LMUXCJGNGWAHQL-SFHVURJKSA-N 1 0 308.450 4.163 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC001307813974 1065636475 /nfs/dbraw/zinc/63/64/75/1065636475.db2.gz ZNSDWNBTSGQJJD-HXUWFJFHSA-N 1 0 321.480 4.413 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001307829936 1065642162 /nfs/dbraw/zinc/64/21/62/1065642162.db2.gz UEHADYZIHIWHTH-INIZCTEOSA-N 1 0 310.416 4.377 20 30 DIEDRO CC(C)(C)C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1(C)C ZINC001307835439 1065646657 /nfs/dbraw/zinc/64/66/57/1065646657.db2.gz OHVDCMSCMNNSGZ-KRWDZBQOSA-N 1 0 314.473 4.474 20 30 DIEDRO CCCCCCCC[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC001307855120 1065653347 /nfs/dbraw/zinc/65/33/47/1065653347.db2.gz NKYLOISMYLHURR-GOSISDBHSA-N 1 0 308.510 4.118 20 30 DIEDRO C#CC[C@@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC001307873241 1065664694 /nfs/dbraw/zinc/66/46/94/1065664694.db2.gz UJOHXKHEOXEKOG-GOSISDBHSA-N 1 0 307.437 4.344 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC001307898674 1065670801 /nfs/dbraw/zinc/67/08/01/1065670801.db2.gz ADTDHHUYGFWFDX-FQEVSTJZSA-N 1 0 300.405 4.452 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC001307914230 1065680006 /nfs/dbraw/zinc/68/00/06/1065680006.db2.gz DUUIWWUROABMNM-GOSISDBHSA-N 1 0 309.457 4.277 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC001307926752 1065684077 /nfs/dbraw/zinc/68/40/77/1065684077.db2.gz YCWSJIBBVAMCGP-YJBOKZPZSA-N 1 0 318.436 4.187 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC001307926750 1065684206 /nfs/dbraw/zinc/68/42/06/1065684206.db2.gz YCWSJIBBVAMCGP-MAUKXSAKSA-N 1 0 318.436 4.187 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OCc2ccncc2)cc1)C(C)(C)C ZINC001307937847 1065691464 /nfs/dbraw/zinc/69/14/64/1065691464.db2.gz FSPPDHQWJDQXSA-UHFFFAOYSA-N 1 0 310.441 4.447 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001307953271 1065697354 /nfs/dbraw/zinc/69/73/54/1065697354.db2.gz IRVMFXUWNVXHJK-UHFFFAOYSA-N 1 0 303.421 4.253 20 30 DIEDRO N#CCc1cccc2c1CC[N@H+](CC/C=C\c1ccccc1)C2 ZINC001307976190 1065710580 /nfs/dbraw/zinc/71/05/80/1065710580.db2.gz RZSABODLUNDOSY-WTKPLQERSA-N 1 0 302.421 4.214 20 30 DIEDRO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(F)cc1 ZINC001307991616 1065713996 /nfs/dbraw/zinc/71/39/96/1065713996.db2.gz UKDSKNFVCYRWTR-IBGZPJMESA-N 1 0 312.388 4.121 20 30 DIEDRO Clc1cccc(C#CC[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1 ZINC001307997167 1065716941 /nfs/dbraw/zinc/71/69/41/1065716941.db2.gz NTMVVARYENYJND-NRSPTQNISA-N 1 0 321.851 4.427 20 30 DIEDRO C=CCC1([NH2+]CC/C=C\c2cncc(OC)c2)CCCCC1 ZINC001308002359 1065719476 /nfs/dbraw/zinc/71/94/76/1065719476.db2.gz FJLHZTOGCCYHSH-UITAMQMPSA-N 1 0 300.446 4.362 20 30 DIEDRO C=CCC1([NH2+]Cc2ncccc2Br)CCCCC1 ZINC001308002569 1065721654 /nfs/dbraw/zinc/72/16/54/1065721654.db2.gz ITONCDSZAQBSCE-UHFFFAOYSA-N 1 0 309.251 4.213 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC001308041035 1065735535 /nfs/dbraw/zinc/73/55/35/1065735535.db2.gz RNTVRNANIPZBQV-LEWJYISDSA-N 1 0 309.453 4.277 20 30 DIEDRO CCCCCCCC[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC001308045142 1065738437 /nfs/dbraw/zinc/73/84/37/1065738437.db2.gz TWWKONQCKLKXGA-UHFFFAOYSA-N 1 0 303.446 4.192 20 30 DIEDRO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C(C)(C)C1 ZINC001308042377 1065739311 /nfs/dbraw/zinc/73/93/11/1065739311.db2.gz LRYXTLZEBBIJRB-ZDUSSCGKSA-N 1 0 311.347 4.057 20 30 DIEDRO CCCC1(CCC)CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001308050559 1065740258 /nfs/dbraw/zinc/74/02/58/1065740258.db2.gz RMSNSBQPGWGYGJ-SFHVURJKSA-N 1 0 300.446 4.026 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001308073020 1065750750 /nfs/dbraw/zinc/75/07/50/1065750750.db2.gz FLHXTGZBNAWPFH-KNQAVFIVSA-N 1 0 316.448 4.261 20 30 DIEDRO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001308070023 1065751462 /nfs/dbraw/zinc/75/14/62/1065751462.db2.gz YCJQYRGSFUOLIK-GOSISDBHSA-N 1 0 305.421 4.111 20 30 DIEDRO C=CCCC[N@@H+](CC)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001308135516 1065774620 /nfs/dbraw/zinc/77/46/20/1065774620.db2.gz ZMOIIMYCQQFISR-UHFFFAOYSA-N 1 0 319.836 4.221 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001308136308 1065776525 /nfs/dbraw/zinc/77/65/25/1065776525.db2.gz KNEVZPKDQPQXMO-SFHVURJKSA-N 1 0 314.473 4.353 20 30 DIEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC001308142326 1065777335 /nfs/dbraw/zinc/77/73/35/1065777335.db2.gz USTLHAMTMXTBKD-LBPRGKRZSA-N 1 0 317.376 4.458 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC001308139568 1065778371 /nfs/dbraw/zinc/77/83/71/1065778371.db2.gz GZEPJSVEOWWGCG-TWOQFEAHSA-N 1 0 322.452 4.056 20 30 DIEDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(C#N)c(C)c1)c1ccccc1 ZINC001308181940 1065793646 /nfs/dbraw/zinc/79/36/46/1065793646.db2.gz DDKPXDSPVXMCFL-OAQYLSRUSA-N 1 0 321.468 4.039 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC001308232199 1065839055 /nfs/dbraw/zinc/83/90/55/1065839055.db2.gz SGBOLRFZJBDHIW-OAGGEKHMSA-N 1 0 320.427 4.126 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC001308232200 1065839119 /nfs/dbraw/zinc/83/91/19/1065839119.db2.gz SGBOLRFZJBDHIW-OWCLPIDISA-N 1 0 320.427 4.126 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](C)COCc1ccccc1 ZINC001308233521 1065841737 /nfs/dbraw/zinc/84/17/37/1065841737.db2.gz GLPLZRSPLFSYJU-INIZCTEOSA-N 1 0 322.452 4.118 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001308295327 1065889994 /nfs/dbraw/zinc/88/99/94/1065889994.db2.gz JPVQSMJIAXYRPR-CRAIPNDOSA-N 1 0 315.457 4.476 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001308295328 1065891645 /nfs/dbraw/zinc/89/16/45/1065891645.db2.gz JPVQSMJIAXYRPR-MAUKXSAKSA-N 1 0 315.457 4.476 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCCOC)C1 ZINC001308305912 1065900771 /nfs/dbraw/zinc/90/07/71/1065900771.db2.gz HSMBEFJAJLGVEE-PKOBYXMFSA-N 1 0 317.473 4.245 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCCOC)C1 ZINC001308305909 1065900977 /nfs/dbraw/zinc/90/09/77/1065900977.db2.gz HSMBEFJAJLGVEE-HKUYNNGSSA-N 1 0 317.473 4.245 20 30 DIEDRO COc1ccc(C[NH2+]CC(C)(C)C2CCCCC2)cc1C#N ZINC001308335820 1065921126 /nfs/dbraw/zinc/92/11/26/1065921126.db2.gz NIIXPZWQEVTEOX-UHFFFAOYSA-N 1 0 300.446 4.263 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCCc4ccccc4C3)CC2)c1 ZINC001308401709 1065965551 /nfs/dbraw/zinc/96/55/51/1065965551.db2.gz RBUBVALGPIVLTF-FQEVSTJZSA-N 1 0 302.421 4.085 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cncc(Br)c2)CCCC1 ZINC001308403816 1065966316 /nfs/dbraw/zinc/96/63/16/1065966316.db2.gz YGPSZINRHLYARP-UHFFFAOYSA-N 1 0 309.251 4.070 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001308407811 1065968580 /nfs/dbraw/zinc/96/85/80/1065968580.db2.gz LNNQARFKERUWKK-UHFFFAOYSA-N 1 0 300.358 4.157 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2CC)cc(OC)c1O ZINC001308422548 1065977954 /nfs/dbraw/zinc/97/79/54/1065977954.db2.gz LVROHKRAOPTDNR-FUHWJXTLSA-N 1 0 317.473 4.435 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC001308427444 1065981344 /nfs/dbraw/zinc/98/13/44/1065981344.db2.gz DGEPFGVBNVMAPC-RTBURBONSA-N 1 0 305.462 4.039 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001308430240 1065983541 /nfs/dbraw/zinc/98/35/41/1065983541.db2.gz CFCLZPHGWJOFAF-CJNGLKHVSA-N 1 0 308.263 4.326 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001308430241 1065983780 /nfs/dbraw/zinc/98/37/80/1065983780.db2.gz CFCLZPHGWJOFAF-CZUORRHYSA-N 1 0 308.263 4.326 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cnc(-c3ccsc3)s2)c1 ZINC001308435639 1065986391 /nfs/dbraw/zinc/98/63/91/1065986391.db2.gz ODCSRSCVSCKGAG-UHFFFAOYSA-N 1 0 310.447 4.143 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(Br)cc1SC ZINC001308437212 1065987249 /nfs/dbraw/zinc/98/72/49/1065987249.db2.gz ZTMSRBFZEXOXDC-UHFFFAOYSA-N 1 0 300.265 4.227 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1C ZINC001308462160 1066004410 /nfs/dbraw/zinc/00/44/10/1066004410.db2.gz MIBOCDKUDDATTC-WBVHZDCISA-N 1 0 303.446 4.237 20 30 DIEDRO COc1ccc2cc(C[NH2+]CC3(C#N)CCCCC3)ccc2c1 ZINC001308466253 1066007545 /nfs/dbraw/zinc/00/75/45/1066007545.db2.gz ICUYPJDRKCUVPK-UHFFFAOYSA-N 1 0 308.425 4.412 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001308479555 1066018049 /nfs/dbraw/zinc/01/80/49/1066018049.db2.gz LEPUJVUBTLNNEX-QAETUUGQSA-N 1 0 322.493 4.157 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC001308482592 1066020300 /nfs/dbraw/zinc/02/03/00/1066020300.db2.gz PVEFHNPCSHUTOS-IBGZPJMESA-N 1 0 311.812 4.129 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001308494887 1066026068 /nfs/dbraw/zinc/02/60/68/1066026068.db2.gz VFZJUHAWNVRWJA-SESVDKBCSA-N 1 0 312.501 4.376 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC001308498873 1066028716 /nfs/dbraw/zinc/02/87/16/1066028716.db2.gz KKMJJWXRCBMESG-IAGOWNOFSA-N 1 0 323.358 4.075 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1-c1ccccc1)C2 ZINC001308498125 1066029289 /nfs/dbraw/zinc/02/92/89/1066029289.db2.gz OHHYHCRPMHUKSO-QFIPXVFZSA-N 1 0 324.427 4.482 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001308510366 1066038314 /nfs/dbraw/zinc/03/83/14/1066038314.db2.gz SAZGNICUCHLDOJ-UHFFFAOYSA-N 1 0 324.509 4.404 20 30 DIEDRO COc1ccc2cc(C[NH2+]Cc3ccc(C)c(C#N)c3)ccc2c1 ZINC001308517390 1066040297 /nfs/dbraw/zinc/04/02/97/1066040297.db2.gz DWVQSOCWKQZLJD-UHFFFAOYSA-N 1 0 316.404 4.318 20 30 DIEDRO C#CCC1([NH2+]Cc2cccc(-c3ccc(C)cc3)c2)CCOCC1 ZINC001308526633 1066047085 /nfs/dbraw/zinc/04/70/85/1066047085.db2.gz UEPUXSVNBXHZCW-UHFFFAOYSA-N 1 0 319.448 4.324 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(Cl)c(OCCC)c(OC)c2)CCC1 ZINC001308531148 1066049624 /nfs/dbraw/zinc/04/96/24/1066049624.db2.gz ZDKSCPARRDYGRT-UHFFFAOYSA-N 1 0 321.848 4.173 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001308596225 1066107460 /nfs/dbraw/zinc/10/74/60/1066107460.db2.gz KDDWPIKGPZRYCZ-ZIAGYGMSSA-N 1 0 323.889 4.068 20 30 DIEDRO CC[C@@H]1CCC[C@@H](C[N@H+](CCOC)Cc2ccc(C#N)cc2)C1 ZINC001308615760 1066120695 /nfs/dbraw/zinc/12/06/95/1066120695.db2.gz QZMYANCEYYMJHV-YLJYHZDGSA-N 1 0 314.473 4.223 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1NCC ZINC001308630948 1066127591 /nfs/dbraw/zinc/12/75/91/1066127591.db2.gz HMWRNGCSKSDFKG-UHFFFAOYSA-N 1 0 305.425 4.178 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccs1 ZINC000754579089 1066135558 /nfs/dbraw/zinc/13/55/58/1066135558.db2.gz NUHSOIMDSLDHAW-NSHDSACASA-N 1 0 306.818 4.155 20 30 DIEDRO C#Cc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)cc1 ZINC001308687764 1066181436 /nfs/dbraw/zinc/18/14/36/1066181436.db2.gz YWJWQMIHOLVDPE-IIBYNOLFSA-N 1 0 305.421 4.260 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC001308695591 1066184919 /nfs/dbraw/zinc/18/49/19/1066184919.db2.gz NENBOBJARKAZCJ-ICSRJNTNSA-N 1 0 300.490 4.160 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@H](C)CSCCF)c1ccc(F)c(F)c1 ZINC001308697704 1066186421 /nfs/dbraw/zinc/18/64/21/1066186421.db2.gz WZLLYLDLLNSNOL-IAQYHMDHSA-N 1 0 303.393 4.263 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@@H]2C[C@@]2(C)Br)CCCC1(C)C ZINC001308724046 1066201546 /nfs/dbraw/zinc/20/15/46/1066201546.db2.gz KVBMDFZTODXCJI-KCQAQPDRSA-N 1 0 300.284 4.227 20 30 DIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001308738270 1066213981 /nfs/dbraw/zinc/21/39/81/1066213981.db2.gz RTDRXXFZGQOYJZ-IIBYNOLFSA-N 1 0 320.436 4.131 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1F ZINC001308737663 1066214630 /nfs/dbraw/zinc/21/46/30/1066214630.db2.gz KSKGNQNDHNRQHA-QAPCUYQASA-N 1 0 312.363 4.262 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccccc1N1CCCCC1 ZINC001308754767 1066227556 /nfs/dbraw/zinc/22/75/56/1066227556.db2.gz KMDWCEKVWPCJOX-UHFFFAOYSA-N 1 0 318.464 4.312 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC001308769392 1066242778 /nfs/dbraw/zinc/24/27/78/1066242778.db2.gz HBRDBUKZGPFCNB-MHORFTMASA-N 1 0 319.493 4.105 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC001308778379 1066251683 /nfs/dbraw/zinc/25/16/83/1066251683.db2.gz HDLBYKRCOLDKIO-IAGOWNOFSA-N 1 0 304.453 4.377 20 30 DIEDRO C=CCC[C@@H](CCC)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC001308781528 1066254908 /nfs/dbraw/zinc/25/49/08/1066254908.db2.gz DLNYNOAESMRORZ-GOSISDBHSA-N 1 0 316.493 4.473 20 30 DIEDRO C#C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccc(Br)cc1 ZINC001308786058 1066259508 /nfs/dbraw/zinc/25/95/08/1066259508.db2.gz VMPCZKBCPQPVGS-DOMZBBRYSA-N 1 0 308.263 4.395 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cc2c(cccc2O)s1)c1ccc(F)cc1 ZINC001308785572 1066260035 /nfs/dbraw/zinc/26/00/35/1066260035.db2.gz GEKYISVNELWBNJ-MRXNPFEDSA-N 1 0 311.381 4.210 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccccc1SC)c1ccc(F)cc1 ZINC001308786110 1066261867 /nfs/dbraw/zinc/26/18/67/1066261867.db2.gz JAWHSOGBJMEREH-KDOFPFPSSA-N 1 0 313.441 4.443 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2ccc(C3CC3)cc2F)C1 ZINC001308798930 1066275191 /nfs/dbraw/zinc/27/51/91/1066275191.db2.gz CJGKTEIGYQEACH-UHFFFAOYSA-N 1 0 320.411 4.417 20 30 DIEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+]Cc1ccc(C#N)s1 ZINC001308823472 1066298999 /nfs/dbraw/zinc/29/89/99/1066298999.db2.gz FLQZERLTXGPBCJ-AWEZNQCLSA-N 1 0 321.449 4.279 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2(C)C)ccc1C#N ZINC001308825275 1066300803 /nfs/dbraw/zinc/30/08/03/1066300803.db2.gz XRWWTQGCIAJPLY-LJQANCHMSA-N 1 0 320.436 4.335 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308828632 1066303504 /nfs/dbraw/zinc/30/35/04/1066303504.db2.gz HHQMCJSJYXCNGO-XHSDSOJGSA-N 1 0 324.509 4.403 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC001308860603 1066342525 /nfs/dbraw/zinc/34/25/25/1066342525.db2.gz SBXCXYFLJYDGPT-RTWAWAEBSA-N 1 0 304.437 4.417 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC001308860591 1066342537 /nfs/dbraw/zinc/34/25/37/1066342537.db2.gz RSCIPIJOEORNKY-OAQYLSRUSA-N 1 0 320.411 4.466 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC001308881629 1066359232 /nfs/dbraw/zinc/35/92/32/1066359232.db2.gz XNRQINYEHPGXBZ-ATGUSINASA-N 1 0 305.368 4.037 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC001308879608 1066359392 /nfs/dbraw/zinc/35/93/92/1066359392.db2.gz XXDVFYCYVXASEY-KGLIPLIRSA-N 1 0 303.372 4.101 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC001308879607 1066359989 /nfs/dbraw/zinc/35/99/89/1066359989.db2.gz XXDVFYCYVXASEY-KBPBESRZSA-N 1 0 303.372 4.101 20 30 DIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2cc(F)cc(C#N)c2)CC1 ZINC001308902830 1066380542 /nfs/dbraw/zinc/38/05/42/1066380542.db2.gz TWRVNLGNGMFVIQ-AUUYWEPGSA-N 1 0 315.436 4.152 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1cc(F)cc(Cl)c1 ZINC001308908743 1066385244 /nfs/dbraw/zinc/38/52/44/1066385244.db2.gz KWFLLXJCZSJTGN-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CCSc1cccc(C[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC001308908794 1066385969 /nfs/dbraw/zinc/38/59/69/1066385969.db2.gz LVZHIQCDSBRLDN-UHFFFAOYSA-N 1 0 310.466 4.345 20 30 DIEDRO C=CCC[C@H](CC)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001308918440 1066396186 /nfs/dbraw/zinc/39/61/86/1066396186.db2.gz LXFLHSYWPJTLOZ-PXNSSMCTSA-N 1 0 313.489 4.128 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001308926130 1066401039 /nfs/dbraw/zinc/40/10/39/1066401039.db2.gz SQWUXQOAYGVYJP-PBHICJAKSA-N 1 0 320.864 4.170 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC001308931397 1066404954 /nfs/dbraw/zinc/40/49/54/1066404954.db2.gz RMXGZJBAKVJRRO-CQSZACIVSA-N 1 0 307.865 4.466 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2)cc1C#N ZINC001308939588 1066410114 /nfs/dbraw/zinc/41/01/14/1066410114.db2.gz YIDGGNXCKRJPNL-ZDUSSCGKSA-N 1 0 314.429 4.140 20 30 DIEDRO CCCCCCCC[C@H](CO)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC001308975598 1066428114 /nfs/dbraw/zinc/42/81/14/1066428114.db2.gz FWAPWLOUXUDRNP-LRYGQEGESA-N 1 0 311.510 4.035 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000078973508 185138222 /nfs/dbraw/zinc/13/82/22/185138222.db2.gz FIKLSUQTIJYUOM-KGLIPLIRSA-N 1 0 309.369 4.187 20 30 DIEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072776351 191226913 /nfs/dbraw/zinc/22/69/13/191226913.db2.gz IMVMIFBSYJFPHF-YOEHRIQHSA-N 1 0 324.428 4.009 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182076577 334991185 /nfs/dbraw/zinc/99/11/85/334991185.db2.gz STHOLYZUANGFMO-HNNXBMFYSA-N 1 0 324.424 4.061 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3c1cccc3Cl)CC2 ZINC000563783395 335007162 /nfs/dbraw/zinc/00/71/62/335007162.db2.gz WVAWRQOSKLJQNK-MOPGFXCFSA-N 1 0 308.812 4.476 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccco1 ZINC000285932369 335028193 /nfs/dbraw/zinc/02/81/93/335028193.db2.gz CYOKPNDNZKOCSM-HOTGVXAUSA-N 1 0 321.486 4.321 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2sc(CC)nc2C)cc1 ZINC000287572312 335044666 /nfs/dbraw/zinc/04/46/66/335044666.db2.gz QPYNEJLIDNERAS-CYBMUJFWSA-N 1 0 316.470 4.430 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1 ZINC000271896559 129977626 /nfs/dbraw/zinc/97/76/26/129977626.db2.gz ULHGTRZILKZFFA-OXQOHEQNSA-N 1 0 322.452 4.011 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1F ZINC000272307480 130018930 /nfs/dbraw/zinc/01/89/30/130018930.db2.gz SNZZMAUKWUIHLU-ZDUSSCGKSA-N 1 0 310.372 4.046 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCO2 ZINC000272318947 130020041 /nfs/dbraw/zinc/02/00/41/130020041.db2.gz VNHWFWSBPVLPHS-LJQANCHMSA-N 1 0 318.420 4.223 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(Cl)ccc1O ZINC000273344735 130109942 /nfs/dbraw/zinc/10/99/42/130109942.db2.gz AJXRDGNILJPXSZ-GFCCVEGCSA-N 1 0 312.800 4.257 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273526567 130131861 /nfs/dbraw/zinc/13/18/61/130131861.db2.gz QRBRMTAVFPYTGU-PMACEKPBSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000273912872 130185951 /nfs/dbraw/zinc/18/59/51/130185951.db2.gz IYTNUGOTDHGXQJ-ATIQYGATSA-N 1 0 320.436 4.039 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284965890 131127548 /nfs/dbraw/zinc/12/75/48/131127548.db2.gz XMXBTMPXBNJDFD-BYCMXARLSA-N 1 0 309.240 4.135 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCc2c1ccc(OC)c2F)c1ccccc1 ZINC000290156995 335069451 /nfs/dbraw/zinc/06/94/51/335069451.db2.gz DAPHYPGJDVTSPU-ZWKOTPCHSA-N 1 0 309.384 4.176 20 30 DIEDRO Cc1cncc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000184411766 335072968 /nfs/dbraw/zinc/07/29/68/335072968.db2.gz VNAHESHHMWMLHR-CQSZACIVSA-N 1 0 318.342 4.111 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291155572 335078838 /nfs/dbraw/zinc/07/88/38/335078838.db2.gz HSPZTCBDPMSFLU-DOTOQJQBSA-N 1 0 315.461 4.002 20 30 DIEDRO CC(C)Cn1ccnc1CNc1cc(C#N)ccc1C(F)(F)F ZINC000136954481 335085680 /nfs/dbraw/zinc/08/56/80/335085680.db2.gz MBMZMCYSMXUOLR-UHFFFAOYSA-N 1 0 322.334 4.042 20 30 DIEDRO CC(C)Cn1ccnc1CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000136954439 335085706 /nfs/dbraw/zinc/08/57/06/335085706.db2.gz XJBSJTIEBSIVCX-UHFFFAOYSA-N 1 0 322.334 4.042 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000570502711 332764947 /nfs/dbraw/zinc/76/49/47/332764947.db2.gz MNJZLAJTOYGRPR-DGCLKSJQSA-N 1 0 312.255 4.025 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000557258727 331778859 /nfs/dbraw/zinc/77/88/59/331778859.db2.gz LNIQELAMFDZFMN-SNVBAGLBSA-N 1 0 318.255 4.158 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](c3ccccc3F)C1)CC2 ZINC000570863572 332832428 /nfs/dbraw/zinc/83/24/28/332832428.db2.gz VLPUKCHHDNXFNS-JXXFODFXSA-N 1 0 306.384 4.220 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000530464288 331487311 /nfs/dbraw/zinc/48/73/11/331487311.db2.gz QWDASGZWUACRBQ-PXNSSMCTSA-N 1 0 308.400 4.198 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000078973483 331678603 /nfs/dbraw/zinc/67/86/03/331678603.db2.gz FIKLSUQTIJYUOM-UONOGXRCSA-N 1 0 309.369 4.187 20 30 DIEDRO C[C@H](CC[NH2+]C1(c2cccc(C#N)c2)CC1)OCc1ccccc1 ZINC000556505305 331709068 /nfs/dbraw/zinc/70/90/68/331709068.db2.gz HSCUOBSJAFYCOA-QGZVFWFLSA-N 1 0 320.436 4.132 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000530973094 331745251 /nfs/dbraw/zinc/74/52/51/331745251.db2.gz WBVBCBVJIXAVFI-IGMJJTELSA-N 1 0 306.409 4.162 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)c(C)c1OC ZINC000558154101 331880224 /nfs/dbraw/zinc/88/02/24/331880224.db2.gz RVLDJMBMLDALLF-OAHLLOKOSA-N 1 0 324.424 4.043 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000559152117 331982899 /nfs/dbraw/zinc/98/28/99/331982899.db2.gz YQCWKPNFSUNMHJ-LBPRGKRZSA-N 1 0 320.433 4.111 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000559244285 332001333 /nfs/dbraw/zinc/00/13/33/332001333.db2.gz UUUQWYZXUZBGIT-JKSUJKDBSA-N 1 0 313.363 4.134 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000559244284 332001461 /nfs/dbraw/zinc/00/14/61/332001461.db2.gz UUUQWYZXUZBGIT-HZPDHXFCSA-N 1 0 313.363 4.134 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000409447944 332033488 /nfs/dbraw/zinc/03/34/88/332033488.db2.gz HPOHXKDMQUOHHL-IBGZPJMESA-N 1 0 314.473 4.078 20 30 DIEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Br)cc1 ZINC000087597735 332034335 /nfs/dbraw/zinc/03/43/35/332034335.db2.gz PUMPULDNUQXWHQ-LBPRGKRZSA-N 1 0 309.251 4.430 20 30 DIEDRO C=CCCCC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000569419822 332079269 /nfs/dbraw/zinc/07/92/69/332079269.db2.gz HJWANCAQFJXVAQ-IBGZPJMESA-N 1 0 308.425 4.312 20 30 DIEDRO Cc1ccc(C[N@@H+](CCOc2ccc(C#N)cc2)C(C)C)s1 ZINC000518597055 332090888 /nfs/dbraw/zinc/09/08/88/332090888.db2.gz APNMJBNMKVUMQF-UHFFFAOYSA-N 1 0 314.454 4.218 20 30 DIEDRO C=CC[C@@H](CC)NC(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC000410136862 332091358 /nfs/dbraw/zinc/09/13/58/332091358.db2.gz XISQNNZZWHMQIB-GOSISDBHSA-N 1 0 302.462 4.003 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000090664798 332092234 /nfs/dbraw/zinc/09/22/34/332092234.db2.gz PXBJLJVUWZDOLT-VQIMIIECSA-N 1 0 307.441 4.448 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000090665844 332092518 /nfs/dbraw/zinc/09/25/18/332092518.db2.gz GJKHDKQHUPZLQO-KDOFPFPSSA-N 1 0 309.369 4.290 20 30 DIEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000410335289 332114008 /nfs/dbraw/zinc/11/40/08/332114008.db2.gz OJSPZXJNHSOTNM-SFHVURJKSA-N 1 0 314.473 4.397 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000091966882 332116082 /nfs/dbraw/zinc/11/60/82/332116082.db2.gz RVUVOXOICUMHSP-ROUUACIJSA-N 1 0 318.436 4.044 20 30 DIEDRO CC(C)(C)[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000410381214 332121250 /nfs/dbraw/zinc/12/12/50/332121250.db2.gz IUODTZBKYZUFPO-KRWDZBQOSA-N 1 0 306.494 4.235 20 30 DIEDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000092223977 332122251 /nfs/dbraw/zinc/12/22/51/332122251.db2.gz AOYQBGNFVYNBID-LJQANCHMSA-N 1 0 307.441 4.466 20 30 DIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000092660938 332129240 /nfs/dbraw/zinc/12/92/40/332129240.db2.gz XCDLCVKDDLIWKA-QGZVFWFLSA-N 1 0 300.446 4.032 20 30 DIEDRO CC(C)C[C@H](CNc1cc(C#N)ccn1)[NH2+][C@@H](C)c1ccccc1 ZINC000569538029 332129560 /nfs/dbraw/zinc/12/95/60/332129560.db2.gz QVFLFRVYIHEIDP-QFBILLFUSA-N 1 0 322.456 4.131 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1=Cc2ccccc2OC1 ZINC000092504423 332131437 /nfs/dbraw/zinc/13/14/37/332131437.db2.gz BQHDWZNDJRQZSZ-UHFFFAOYSA-N 1 0 316.404 4.022 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000016379682 332131939 /nfs/dbraw/zinc/13/19/39/332131939.db2.gz ZSTQYHAQXMMRAN-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000133086334 332136495 /nfs/dbraw/zinc/13/64/95/332136495.db2.gz JVFOOKPOJXGUQD-ZJUUUORDSA-N 1 0 303.269 4.301 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000133086698 332136593 /nfs/dbraw/zinc/13/65/93/332136593.db2.gz JVFOOKPOJXGUQD-NXEZZACHSA-N 1 0 303.269 4.301 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000093342200 332137608 /nfs/dbraw/zinc/13/76/08/332137608.db2.gz GSJPCADTLNRPMN-UHFFFAOYSA-N 1 0 314.473 4.245 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccco1 ZINC000518740772 332140890 /nfs/dbraw/zinc/14/08/90/332140890.db2.gz UXEOZBBHUJSJIR-QGZVFWFLSA-N 1 0 313.445 4.318 20 30 DIEDRO CC(C)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000569569064 332141379 /nfs/dbraw/zinc/14/13/79/332141379.db2.gz VDTKGZPZZNMNLW-CZUORRHYSA-N 1 0 323.362 4.436 20 30 DIEDRO CCCC[C@H](C)[N@H+](CCCC)CC(=O)Nc1sccc1C#N ZINC000559387409 332143220 /nfs/dbraw/zinc/14/32/20/332143220.db2.gz PMGSDYFNTZLFJQ-AWEZNQCLSA-N 1 0 321.490 4.239 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)C(C)C ZINC000426998878 332165126 /nfs/dbraw/zinc/16/51/26/332165126.db2.gz SXCVWPBQIQAMEQ-SFHVURJKSA-N 1 0 312.844 4.382 20 30 DIEDRO C=C(C)CN(C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000181251191 332188142 /nfs/dbraw/zinc/18/81/42/332188142.db2.gz ZSSSGUGRASAJOU-UHFFFAOYSA-N 1 0 302.443 4.038 20 30 DIEDRO C=C(C)CN(C)[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000181250130 332188203 /nfs/dbraw/zinc/18/82/03/332188203.db2.gz AODYTZCAVAUTOC-QGZVFWFLSA-N 1 0 322.452 4.112 20 30 DIEDRO C=C(C)CN(C)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000181291574 332189860 /nfs/dbraw/zinc/18/98/60/332189860.db2.gz YOYASDPEGZHYBU-UHFFFAOYSA-N 1 0 321.218 4.112 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181319660 332191222 /nfs/dbraw/zinc/19/12/22/332191222.db2.gz GGGUUADFZIZDSO-GJZGRUSLSA-N 1 0 302.418 4.039 20 30 DIEDRO C=C(C)CN(C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000181333901 332191987 /nfs/dbraw/zinc/19/19/87/332191987.db2.gz CDXPAIOKKRUDPR-SFHVURJKSA-N 1 0 319.408 4.334 20 30 DIEDRO CCCCCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000236775712 332202918 /nfs/dbraw/zinc/20/29/18/332202918.db2.gz XLJHVAGAHVDKNZ-UHFFFAOYSA-N 1 0 308.425 4.417 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccc(Br)cc2)C1 ZINC000449452187 332205967 /nfs/dbraw/zinc/20/59/67/332205967.db2.gz FKXZWSCHSHJNBW-SSMWTBERSA-N 1 0 319.246 4.134 20 30 DIEDRO CC[C@H](C[NH2+]Cc1cc(C#N)cs1)Oc1cccc(Cl)c1 ZINC000531009820 332208437 /nfs/dbraw/zinc/20/84/37/332208437.db2.gz AABYBIFCODLORI-CQSZACIVSA-N 1 0 320.845 4.220 20 30 DIEDRO C=C(C)CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000559410449 332256229 /nfs/dbraw/zinc/25/62/29/332256229.db2.gz SJDKFUULZICLTQ-UHFFFAOYSA-N 1 0 311.828 4.127 20 30 DIEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000448032679 332269982 /nfs/dbraw/zinc/26/99/82/332269982.db2.gz XFOVGBGOTNRXCJ-RDJZCZTQSA-N 1 0 321.436 4.390 20 30 DIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CCCCC#N ZINC000109818758 332284162 /nfs/dbraw/zinc/28/41/62/332284162.db2.gz IQCHFCCNFSKGAX-UHFFFAOYSA-N 1 0 309.251 4.054 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCCC(C)(C)C#N)CCC2 ZINC000152605758 332313886 /nfs/dbraw/zinc/31/38/86/332313886.db2.gz WRKOKUDMWOAQHR-AWEZNQCLSA-N 1 0 305.491 4.345 20 30 DIEDRO COc1cc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)ccc1F ZINC000560265546 332326249 /nfs/dbraw/zinc/32/62/49/332326249.db2.gz OSHIBRIQJJOAGG-ZDUSSCGKSA-N 1 0 310.372 4.046 20 30 DIEDRO COc1ccc(CC2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000092781454 332331912 /nfs/dbraw/zinc/33/19/12/332331912.db2.gz OMAOMCGNZWDRLN-UHFFFAOYSA-N 1 0 314.473 4.280 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)cc1 ZINC000560571955 332362381 /nfs/dbraw/zinc/36/23/81/332362381.db2.gz PARAPJXSCHJYTK-VBKZILBWSA-N 1 0 311.400 4.414 20 30 DIEDRO COc1ccc(C[C@H](C)C[NH+]2CCC(CCC#N)CC2)cc1F ZINC000564990440 332385171 /nfs/dbraw/zinc/38/51/71/332385171.db2.gz ITHHHMYBKXJZOJ-HNNXBMFYSA-N 1 0 318.436 4.029 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000120558226 332387378 /nfs/dbraw/zinc/38/73/78/332387378.db2.gz XGMRONHIAWHKRH-HNNXBMFYSA-N 1 0 306.475 4.059 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000237826254 332392895 /nfs/dbraw/zinc/39/28/95/332392895.db2.gz OKVRRGKKTVWEQJ-FQEVSTJZSA-N 1 0 306.409 4.146 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCOc2ccccc2C#N)cc1 ZINC000561083113 332408623 /nfs/dbraw/zinc/40/86/23/332408623.db2.gz SSVHTIHCJKDKKL-INIZCTEOSA-N 1 0 324.424 4.075 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000123928840 332429896 /nfs/dbraw/zinc/42/98/96/332429896.db2.gz WDCVUWVHSSHYTJ-UHFFFAOYSA-N 1 0 310.445 4.072 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000155503051 332448957 /nfs/dbraw/zinc/44/89/57/332448957.db2.gz MQALTDABEYHUQI-GOSISDBHSA-N 1 0 309.409 4.255 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]CCSCc1cccc2ccccc21 ZINC000566557419 332475699 /nfs/dbraw/zinc/47/56/99/332475699.db2.gz ZGYPXCMMYFRTSK-MRXNPFEDSA-N 1 0 323.465 4.106 20 30 DIEDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151377319 332574215 /nfs/dbraw/zinc/57/42/15/332574215.db2.gz YVZORLDSRVLCIF-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccn(C)c2)cc1 ZINC000158586748 332574894 /nfs/dbraw/zinc/57/48/94/332574894.db2.gz JBYQKDQNJYHOIU-AWEZNQCLSA-N 1 0 304.821 4.007 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000562764639 332623702 /nfs/dbraw/zinc/62/37/02/332623702.db2.gz SZYVNHJMJAPHBT-ZWOKBUDYSA-N 1 0 304.437 4.489 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cc1C#N ZINC000172688412 332630401 /nfs/dbraw/zinc/63/04/01/332630401.db2.gz QEFOGXADHLWLEC-OAHLLOKOSA-N 1 0 324.424 4.205 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000443970791 332646980 /nfs/dbraw/zinc/64/69/80/332646980.db2.gz UOBLDQBRCPVNDZ-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO COc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)ccc1C#N ZINC000569735062 332673659 /nfs/dbraw/zinc/67/36/59/332673659.db2.gz VXGHBWGSEUNIPU-UHFFFAOYSA-N 1 0 321.207 4.163 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccco1 ZINC000570470778 332759351 /nfs/dbraw/zinc/75/93/51/332759351.db2.gz VRHPOAOFUDMIOI-JKSUJKDBSA-N 1 0 315.413 4.353 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCC2CC(OCC)C2)cc1Cl ZINC000188789294 332983409 /nfs/dbraw/zinc/98/34/09/332983409.db2.gz AFQAKENBZHJUMS-UHFFFAOYSA-N 1 0 323.864 4.200 20 30 DIEDRO N#Cc1csc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)c1 ZINC000466475307 333023066 /nfs/dbraw/zinc/02/30/66/333023066.db2.gz SQZWFWMPVQYOIF-UHFFFAOYSA-N 1 0 320.820 4.448 20 30 DIEDRO CC[N@H+](Cc1cccc(NC(C)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000170643440 333037811 /nfs/dbraw/zinc/03/78/11/333037811.db2.gz GMEBRRSGDJIWRZ-OAHLLOKOSA-N 1 0 321.424 4.100 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000174247926 333083946 /nfs/dbraw/zinc/08/39/46/333083946.db2.gz SDBPIQYNOZEMSR-UHFFFAOYSA-N 1 0 313.470 4.272 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000174305389 333084713 /nfs/dbraw/zinc/08/47/13/333084713.db2.gz KKMONLURRMVBQV-MSOLQXFVSA-N 1 0 300.446 4.074 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccc(Br)s1 ZINC000174810500 333091047 /nfs/dbraw/zinc/09/10/47/333091047.db2.gz TVCIOIDTYGQDBA-UHFFFAOYSA-N 1 0 315.280 4.272 20 30 DIEDRO CC(C)(C#N)CCC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000174837666 333091494 /nfs/dbraw/zinc/09/14/94/333091494.db2.gz CTQHGPCUYFRKDF-UHFFFAOYSA-N 1 0 321.262 4.358 20 30 DIEDRO Cc1ccccc1[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@H](C)CO1 ZINC000174876372 333092083 /nfs/dbraw/zinc/09/20/83/333092083.db2.gz ZWQFCUQFGDSBDG-AEFFLSMTSA-N 1 0 300.446 4.087 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000174870825 333092129 /nfs/dbraw/zinc/09/21/29/333092129.db2.gz VNRAGUMGWWQIIX-INIZCTEOSA-N 1 0 316.420 4.050 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](C)Oc1cccc(C)c1 ZINC000462736383 333101690 /nfs/dbraw/zinc/10/16/90/333101690.db2.gz SGFWCZKWNATAQG-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1 ZINC000177444901 333129082 /nfs/dbraw/zinc/12/90/82/333129082.db2.gz JUNZKGCROLWKMW-HXUWFJFHSA-N 1 0 306.409 4.146 20 30 DIEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762331 333155274 /nfs/dbraw/zinc/15/52/74/333155274.db2.gz DTOUQKFJYGONIE-CQSZACIVSA-N 1 0 313.445 4.016 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000180025286 333157531 /nfs/dbraw/zinc/15/75/31/333157531.db2.gz CCUKPLSFNLGSHN-OSRSDYAFSA-N 1 0 301.821 4.070 20 30 DIEDRO N#CCCCC[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000180318127 333160799 /nfs/dbraw/zinc/16/07/99/333160799.db2.gz IJVOFBSXLHOSEN-GOSISDBHSA-N 1 0 312.388 4.229 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000180446998 333161760 /nfs/dbraw/zinc/16/17/60/333161760.db2.gz KFPKHGUGCODMPV-CQSZACIVSA-N 1 0 323.396 4.247 20 30 DIEDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)s1 ZINC000180556205 333163138 /nfs/dbraw/zinc/16/31/38/333163138.db2.gz XAUPOAFKHNBQDV-CYBMUJFWSA-N 1 0 300.427 4.064 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000181754558 333172069 /nfs/dbraw/zinc/17/20/69/333172069.db2.gz BAIMABUPCIGQLH-QFBILLFUSA-N 1 0 323.440 4.340 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Cc1cccs1 ZINC000181816889 333172687 /nfs/dbraw/zinc/17/26/87/333172687.db2.gz WTPKJOAHNSDLMQ-GJZGRUSLSA-N 1 0 314.454 4.180 20 30 DIEDRO Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181824555 333172730 /nfs/dbraw/zinc/17/27/30/333172730.db2.gz DJLCSNKUPCESSR-DLBZAZTESA-N 1 0 324.424 4.016 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccnc1 ZINC000181868096 333173047 /nfs/dbraw/zinc/17/30/47/333173047.db2.gz ADVOHOHAXVARGE-JXFKEZNVSA-N 1 0 323.440 4.074 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1O ZINC000182656361 333179427 /nfs/dbraw/zinc/17/94/27/333179427.db2.gz CHDBMGLXOQQJSH-KRWDZBQOSA-N 1 0 314.816 4.489 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1cccc(Cl)c1Cl ZINC000183767649 333187651 /nfs/dbraw/zinc/18/76/51/333187651.db2.gz ADUBOBNSBDOXDC-SNVBAGLBSA-N 1 0 303.258 4.291 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000183989569 333190668 /nfs/dbraw/zinc/19/06/68/333190668.db2.gz OFTAVVCHLLVNRK-CYBMUJFWSA-N 1 0 316.351 4.377 20 30 DIEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](C#N)CCC#N ZINC000184948951 333202885 /nfs/dbraw/zinc/20/28/85/333202885.db2.gz GKNFIHHWYSXVAJ-ZWKOTPCHSA-N 1 0 323.465 4.373 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2csc(-c3ccccc3)n2)C1 ZINC000185760650 333213497 /nfs/dbraw/zinc/21/34/97/333213497.db2.gz RNNMVRBSTFCHEI-ZBFHGGJFSA-N 1 0 311.454 4.025 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000185831265 333214708 /nfs/dbraw/zinc/21/47/08/333214708.db2.gz ZCAHMWYDNJNORT-ZJOUEHCJSA-N 1 0 319.452 4.346 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000185852530 333215093 /nfs/dbraw/zinc/21/50/93/333215093.db2.gz SIEZRGWLGJIYRT-GUXCAODWSA-N 1 0 305.425 4.482 20 30 DIEDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000186150790 333217523 /nfs/dbraw/zinc/21/75/23/333217523.db2.gz BNFJCYSFCVUUCF-RDTXWAMCSA-N 1 0 310.397 4.096 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1cc(Cl)ccc1Cl ZINC000186184573 333217652 /nfs/dbraw/zinc/21/76/52/333217652.db2.gz LSAJMKCNTMFDGL-SNVBAGLBSA-N 1 0 303.258 4.291 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000497196666 333220275 /nfs/dbraw/zinc/22/02/75/333220275.db2.gz BGVUIFRHPLMJFQ-UHFFFAOYSA-N 1 0 317.351 4.034 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCc1ccncc1C)c1ccc(F)c(F)c1 ZINC000563061197 333226185 /nfs/dbraw/zinc/22/61/85/333226185.db2.gz AHBDPBOGBBKYGR-GOSISDBHSA-N 1 0 302.368 4.118 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000497388524 333244281 /nfs/dbraw/zinc/24/42/81/333244281.db2.gz UHPOJSAVKQNRLG-LIVBEALHSA-N 1 0 324.399 4.126 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c2ccccc2n1 ZINC000320719343 335130438 /nfs/dbraw/zinc/13/04/38/335130438.db2.gz AJRJPLWSARVGOT-OAHLLOKOSA-N 1 0 301.393 4.266 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)cc1 ZINC000497599596 333267769 /nfs/dbraw/zinc/26/77/69/333267769.db2.gz HLHQLWFEGLIPLF-IBGZPJMESA-N 1 0 306.409 4.083 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)c2cccc(Br)c21 ZINC000430739298 335130814 /nfs/dbraw/zinc/13/08/14/335130814.db2.gz HOVXBOIAPHYMJV-SMDDNHRTSA-N 1 0 319.246 4.281 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]CCOc1ccccc1C#N ZINC000501505285 333274713 /nfs/dbraw/zinc/27/47/13/333274713.db2.gz SPHLGHWNYJQNTF-CQSZACIVSA-N 1 0 312.438 4.010 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000116926679 333282551 /nfs/dbraw/zinc/28/25/51/333282551.db2.gz ILOHYWRSDGLVOJ-ZDUSSCGKSA-N 1 0 302.443 4.085 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192090582 333285254 /nfs/dbraw/zinc/28/52/54/333285254.db2.gz VTFLJLPFVZPEQL-HZPDHXFCSA-N 1 0 324.827 4.229 20 30 DIEDRO CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)cc1 ZINC000364328574 333288305 /nfs/dbraw/zinc/28/83/05/333288305.db2.gz DBNITWHXTGHGRD-RTBURBONSA-N 1 0 309.457 4.118 20 30 DIEDRO Cc1cccc([C@@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccn2)c1 ZINC000193062284 333297997 /nfs/dbraw/zinc/29/79/97/333297997.db2.gz WJPWYYLSYYZRMX-XKGZKEIXSA-N 1 0 305.425 4.151 20 30 DIEDRO CC1CC[NH+](C[C@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000364357263 333298144 /nfs/dbraw/zinc/29/81/44/333298144.db2.gz UVCYFZJIJALSHH-IBGZPJMESA-N 1 0 319.537 4.150 20 30 DIEDRO CC[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)Oc1cccc(Cl)c1 ZINC000463234040 333350075 /nfs/dbraw/zinc/35/00/75/333350075.db2.gz QYOYLATZWQDZLC-CWRNSKLLSA-N 1 0 306.837 4.169 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000531451448 333355791 /nfs/dbraw/zinc/35/57/91/333355791.db2.gz GONXEGUPCAIWGW-CMPLNLGQSA-N 1 0 302.365 4.078 20 30 DIEDRO CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000188190958 333357831 /nfs/dbraw/zinc/35/78/31/333357831.db2.gz GJIHYHGBPCMGFS-KRWDZBQOSA-N 1 0 313.489 4.063 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1Cl ZINC000463286155 333370191 /nfs/dbraw/zinc/37/01/91/333370191.db2.gz AVMVCUSYUZUGRO-JSGCOSHPSA-N 1 0 308.828 4.429 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(Cl)c1 ZINC000337172577 333441039 /nfs/dbraw/zinc/44/10/39/333441039.db2.gz FNRWZUBJXUKZCJ-CQSZACIVSA-N 1 0 306.837 4.091 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000337252630 333444175 /nfs/dbraw/zinc/44/41/75/333444175.db2.gz LFZRPQWJDCQHSU-MRXNPFEDSA-N 1 0 322.399 4.284 20 30 DIEDRO C[C@H](CCc1ccco1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000338953279 333503232 /nfs/dbraw/zinc/50/32/32/333503232.db2.gz KFZNHPVLLZAARW-MRXNPFEDSA-N 1 0 312.413 4.073 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccco1 ZINC000296440719 335144613 /nfs/dbraw/zinc/14/46/13/335144613.db2.gz MGVJTCUUWOUMTO-ZIFCJYIRSA-N 1 0 312.413 4.192 20 30 DIEDRO N#CCCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000237833373 333523648 /nfs/dbraw/zinc/52/36/48/333523648.db2.gz RISGZKCXCSKRMW-UHFFFAOYSA-N 1 0 312.388 4.188 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000563367891 333597445 /nfs/dbraw/zinc/59/74/45/333597445.db2.gz QNVAJOJADVBIGW-HIFRSBDPSA-N 1 0 307.235 4.108 20 30 DIEDRO CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442827485 335157332 /nfs/dbraw/zinc/15/73/32/335157332.db2.gz PSEFTWNBWXTZKX-BBWFWOEESA-N 1 0 302.487 4.456 20 30 DIEDRO N#Cc1c(C[N@@H+]2CCC[C@@H]2c2ccccc2)cn2ccccc12 ZINC000343383322 335160821 /nfs/dbraw/zinc/16/08/21/335160821.db2.gz TWYPFLMHOPGRHW-LJQANCHMSA-N 1 0 301.393 4.148 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000343439143 335164737 /nfs/dbraw/zinc/16/47/37/335164737.db2.gz GSAPBLHEOHRRAN-NMLBUPMWSA-N 1 0 312.457 4.216 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414151325 333903678 /nfs/dbraw/zinc/90/36/78/333903678.db2.gz PTLNJIKHLPAGAI-UNEWFSDZSA-N 1 0 314.454 4.194 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414151307 333903917 /nfs/dbraw/zinc/90/39/17/333903917.db2.gz PTLNJIKHLPAGAI-LXZKKBNFSA-N 1 0 314.454 4.194 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000414166062 333916337 /nfs/dbraw/zinc/91/63/37/333916337.db2.gz NCABSDNKKDQRSB-LBPRGKRZSA-N 1 0 314.351 4.218 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1Br ZINC000414167412 333916563 /nfs/dbraw/zinc/91/65/63/333916563.db2.gz PFDOLLGOABASKV-JTQLQIEISA-N 1 0 313.214 4.179 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(c3c(F)cccc3F)CCC2)CC1 ZINC000414228607 333925808 /nfs/dbraw/zinc/92/58/08/333925808.db2.gz DQOXAJFBPQGAES-UHFFFAOYSA-N 1 0 318.411 4.449 20 30 DIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)CC(F)(F)F ZINC000414271339 333931388 /nfs/dbraw/zinc/93/13/88/333931388.db2.gz WJXPBKJAVQJCSO-MNOVXSKESA-N 1 0 302.315 4.327 20 30 DIEDRO CCCCOc1ccc(C[NH2+]CCCCC#N)cc1OCC ZINC000264053096 333950579 /nfs/dbraw/zinc/95/05/79/333950579.db2.gz NFFFNFQHJLWHND-UHFFFAOYSA-N 1 0 304.434 4.048 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000264562395 333958041 /nfs/dbraw/zinc/95/80/41/333958041.db2.gz OVPDWILLQLTVSI-HXUWFJFHSA-N 1 0 306.409 4.220 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(OCC#N)cc1 ZINC000267002429 333978026 /nfs/dbraw/zinc/97/80/26/333978026.db2.gz CZMXBXYNERHZGH-BFUOFWGJSA-N 1 0 310.372 4.066 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000414506446 334001030 /nfs/dbraw/zinc/00/10/30/334001030.db2.gz WMJQAJDOKIFSNK-TZMCWYRMSA-N 1 0 317.845 4.094 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000270662402 334015302 /nfs/dbraw/zinc/01/53/02/334015302.db2.gz PENOPWOQPHHXQO-KRWDZBQOSA-N 1 0 320.864 4.025 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000271084917 334018191 /nfs/dbraw/zinc/01/81/91/334018191.db2.gz SQNSJEJYWVJEBW-UHFFFAOYSA-N 1 0 310.363 4.323 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414568966 334023271 /nfs/dbraw/zinc/02/32/71/334023271.db2.gz ZBLMVSXCWNAWCA-GOSISDBHSA-N 1 0 312.457 4.170 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000271476090 334023628 /nfs/dbraw/zinc/02/36/28/334023628.db2.gz IAYZODNZTKPVQS-IOJLRTSASA-N 1 0 324.468 4.082 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000271710328 334025833 /nfs/dbraw/zinc/02/58/33/334025833.db2.gz OFVBHKFXMKKSLU-HXUWFJFHSA-N 1 0 302.421 4.342 20 30 DIEDRO N#CCOc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000271763318 334026552 /nfs/dbraw/zinc/02/65/52/334026552.db2.gz IBVFWFFYGCVDNO-UHFFFAOYSA-N 1 0 312.800 4.021 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000271914438 334028796 /nfs/dbraw/zinc/02/87/96/334028796.db2.gz BUNGVBBEXWGNKQ-YOEHRIQHSA-N 1 0 316.420 4.230 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000272510330 334036181 /nfs/dbraw/zinc/03/61/81/334036181.db2.gz IUDSCWRVJLTOQR-UHFFFAOYSA-N 1 0 306.409 4.185 20 30 DIEDRO N#CCCC[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000272625465 334038352 /nfs/dbraw/zinc/03/83/52/334038352.db2.gz ZBVBLADQJOSXEL-QGZVFWFLSA-N 1 0 316.351 4.271 20 30 DIEDRO COc1ccc2oc([C@@H](C)[NH2+]CCC(C)(C)C#N)c(C)c2c1 ZINC000273257806 334044772 /nfs/dbraw/zinc/04/47/72/334044772.db2.gz FIFISIVOGGRIJJ-CYBMUJFWSA-N 1 0 300.402 4.340 20 30 DIEDRO C[N@H+](CC(C)(C)CCC#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273476937 334048043 /nfs/dbraw/zinc/04/80/43/334048043.db2.gz KLLLGCYSOAPEBP-ROUUACIJSA-N 1 0 318.436 4.308 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000437584371 334053364 /nfs/dbraw/zinc/05/33/64/334053364.db2.gz ROMGSQRSRQCTFT-ZDUSSCGKSA-N 1 0 300.352 4.072 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C1 ZINC000274226612 334057344 /nfs/dbraw/zinc/05/73/44/334057344.db2.gz RGLBPCTZXJVYMY-CMPLNLGQSA-N 1 0 305.834 4.122 20 30 DIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cc1OC ZINC000274574460 334063434 /nfs/dbraw/zinc/06/34/34/334063434.db2.gz BKYYMUHSFQLQCP-ZOBUZTSGSA-N 1 0 316.445 4.217 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000274584812 334063641 /nfs/dbraw/zinc/06/36/41/334063641.db2.gz DDKZYGZECQXLLK-XFBWCDHKSA-N 1 0 308.347 4.438 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCSc3ccc(F)cc32)c1 ZINC000343553913 335172018 /nfs/dbraw/zinc/17/20/18/335172018.db2.gz QNBKLRYCBBKRAY-KRWDZBQOSA-N 1 0 312.413 4.067 20 30 DIEDRO Cc1ccc(C)n1C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000277753920 334090470 /nfs/dbraw/zinc/09/04/70/334090470.db2.gz PWURZXDQZQYCEX-UHFFFAOYSA-N 1 0 301.478 4.462 20 30 DIEDRO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000277751365 334090546 /nfs/dbraw/zinc/09/05/46/334090546.db2.gz PPGZRBDXPULLLI-AEFFLSMTSA-N 1 0 300.446 4.168 20 30 DIEDRO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000277861447 334091585 /nfs/dbraw/zinc/09/15/85/334091585.db2.gz YCOGIXDTNTVIOI-SFHVURJKSA-N 1 0 324.472 4.430 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000278165145 334093186 /nfs/dbraw/zinc/09/31/86/334093186.db2.gz PMXSMVDUNVTTSL-UHFFFAOYSA-N 1 0 300.446 4.292 20 30 DIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H]4CC[C@@H](C#N)C4)CC3)c2c1 ZINC000278560582 334097963 /nfs/dbraw/zinc/09/79/63/334097963.db2.gz IIRIZRJUKDLRJL-ZBFHGGJFSA-N 1 0 323.440 4.048 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278556525 334098096 /nfs/dbraw/zinc/09/80/96/334098096.db2.gz BEIDYLWNVPDJQD-ZDUSSCGKSA-N 1 0 310.363 4.262 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CCCCC(C)(C)C#N)C2CC2)cc1 ZINC000278700319 334100193 /nfs/dbraw/zinc/10/01/93/334100193.db2.gz JNXPXAAFBUFZRQ-SFHVURJKSA-N 1 0 300.446 4.456 20 30 DIEDRO Cc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccccn2)cc1 ZINC000279574319 334110107 /nfs/dbraw/zinc/11/01/07/334110107.db2.gz AWMDMMCAKDDNOL-KPFFTGBYSA-N 1 0 305.425 4.151 20 30 DIEDRO CC(C)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000574982703 334113993 /nfs/dbraw/zinc/11/39/93/334113993.db2.gz HXMKLXMHKJRIJV-CZUORRHYSA-N 1 0 323.362 4.436 20 30 DIEDRO CC(C)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000574982702 334114086 /nfs/dbraw/zinc/11/40/86/334114086.db2.gz HXMKLXMHKJRIJV-CJNGLKHVSA-N 1 0 323.362 4.436 20 30 DIEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1 ZINC000281143686 334123372 /nfs/dbraw/zinc/12/33/72/334123372.db2.gz AVLBFFPNGHSMTL-UHFFFAOYSA-N 1 0 318.436 4.137 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000281373819 334125696 /nfs/dbraw/zinc/12/56/96/334125696.db2.gz WTXULYQIMFOXMS-MOPGFXCFSA-N 1 0 305.425 4.078 20 30 DIEDRO CSc1ccccc1[C@H](C)[NH2+]CCCC1(C#N)CCOCC1 ZINC000281648893 334127573 /nfs/dbraw/zinc/12/75/73/334127573.db2.gz JSGORRMJLRGDEK-HNNXBMFYSA-N 1 0 318.486 4.160 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)ccc1OCC(C)C ZINC000281878241 334129255 /nfs/dbraw/zinc/12/92/55/334129255.db2.gz FXDVBOAHXLWCBZ-UXLLHSPISA-N 1 0 316.445 4.073 20 30 DIEDRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281916896 334129475 /nfs/dbraw/zinc/12/94/75/334129475.db2.gz GYFUPTRNJABPBH-AWEZNQCLSA-N 1 0 322.399 4.058 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(OCc2ccccn2)c1 ZINC000281957298 334129912 /nfs/dbraw/zinc/12/99/12/334129912.db2.gz MOWIDRVHLBPQID-BQFCYCMXSA-N 1 0 321.424 4.003 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281958337 334129935 /nfs/dbraw/zinc/12/99/35/334129935.db2.gz KEOQRPPCGADEIJ-SFHVURJKSA-N 1 0 300.446 4.074 20 30 DIEDRO CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000281976836 334130218 /nfs/dbraw/zinc/13/02/18/334130218.db2.gz LPNCPOSVJKBSEK-QGZVFWFLSA-N 1 0 322.399 4.106 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1c(F)cccc1Cl ZINC000281999377 334130315 /nfs/dbraw/zinc/13/03/15/334130315.db2.gz NLTAEJKGWJYUMQ-ZDUSSCGKSA-N 1 0 324.827 4.230 20 30 DIEDRO Cc1cccc([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)c1C ZINC000281999204 334130377 /nfs/dbraw/zinc/13/03/77/334130377.db2.gz NJSJXMXAKHINSU-QGZVFWFLSA-N 1 0 300.446 4.055 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1Cl ZINC000281996943 334130429 /nfs/dbraw/zinc/13/04/29/334130429.db2.gz NFVSGUCPGKCHPD-AWEZNQCLSA-N 1 0 306.837 4.091 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000282249184 334132825 /nfs/dbraw/zinc/13/28/25/334132825.db2.gz JLFUWPGHPDJUPM-QQFBHYJXSA-N 1 0 302.487 4.259 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000282504285 334135293 /nfs/dbraw/zinc/13/52/93/334135293.db2.gz YKJDRRYAURZSLN-QFBILLFUSA-N 1 0 315.420 4.270 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000282614059 334136106 /nfs/dbraw/zinc/13/61/06/334136106.db2.gz IMFUWHZJKRHMPL-UHFFFAOYSA-N 1 0 301.409 4.159 20 30 DIEDRO COCC[C@H]([NH2+]CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000284759050 334144516 /nfs/dbraw/zinc/14/45/16/334144516.db2.gz LZCMCOOQXIHLGW-HNNXBMFYSA-N 1 0 315.244 4.354 20 30 DIEDRO CC[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000285378408 334147414 /nfs/dbraw/zinc/14/74/14/334147414.db2.gz GMEQAJSHWANMJZ-INIZCTEOSA-N 1 0 318.461 4.465 20 30 DIEDRO CC(C)CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccoc1 ZINC000286267449 334152435 /nfs/dbraw/zinc/15/24/35/334152435.db2.gz VFSOATUSLOVGCG-LJQANCHMSA-N 1 0 312.413 4.449 20 30 DIEDRO COC[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(Cl)c1 ZINC000288773494 334162129 /nfs/dbraw/zinc/16/21/29/334162129.db2.gz JTXLRZUIYXDQKI-INIZCTEOSA-N 1 0 308.853 4.337 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289439472 334165376 /nfs/dbraw/zinc/16/53/76/334165376.db2.gz DOHWRAXXMIKUND-MOPGFXCFSA-N 1 0 324.468 4.021 20 30 DIEDRO COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000290505005 334173240 /nfs/dbraw/zinc/17/32/40/334173240.db2.gz YJRBCMNQGWNTOY-ZWKOTPCHSA-N 1 0 324.399 4.456 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000291128845 334176873 /nfs/dbraw/zinc/17/68/73/334176873.db2.gz GQJWPVNEVAPPHA-RTBURBONSA-N 1 0 306.409 4.404 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000291128836 334176901 /nfs/dbraw/zinc/17/69/01/334176901.db2.gz GQJWPVNEVAPPHA-MOPGFXCFSA-N 1 0 306.409 4.404 20 30 DIEDRO C[C@@H](NCc1ccc(C#N)cc1Cl)c1ccc(F)cc1F ZINC000439453628 334179470 /nfs/dbraw/zinc/17/94/70/334179470.db2.gz QBJLUFKNTMXZNE-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO N#CCCCC[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000292758554 334191911 /nfs/dbraw/zinc/19/19/11/334191911.db2.gz SEOXEJBRUKXETN-HNNXBMFYSA-N 1 0 321.262 4.007 20 30 DIEDRO COC1(C[C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)CCC1 ZINC000340429666 334198263 /nfs/dbraw/zinc/19/82/63/334198263.db2.gz CKGMLLCRCIOPFN-AEFFLSMTSA-N 1 0 300.446 4.359 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)C1 ZINC000293522821 334198788 /nfs/dbraw/zinc/19/87/88/334198788.db2.gz IUIJMYPDEUZQFE-XJKSGUPXSA-N 1 0 311.404 4.179 20 30 DIEDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340437656 334201270 /nfs/dbraw/zinc/20/12/70/334201270.db2.gz VXTMBEKJFKDZJT-RDJZCZTQSA-N 1 0 316.445 4.131 20 30 DIEDRO COc1cccc(C[C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000340444164 334202911 /nfs/dbraw/zinc/20/29/11/334202911.db2.gz CFGPHKFQUBBPST-QFBILLFUSA-N 1 0 323.440 4.046 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(CO)c1 ZINC000340445159 334203764 /nfs/dbraw/zinc/20/37/64/334203764.db2.gz LGSCEOTXCHREMV-JXFKEZNVSA-N 1 0 308.425 4.265 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C12CCC2 ZINC000340448017 334204482 /nfs/dbraw/zinc/20/44/82/334204482.db2.gz INENYVATBZDLLV-IPMKNSEASA-N 1 0 312.457 4.359 20 30 DIEDRO C[C@@H](CC1CCOCC1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340449595 334205471 /nfs/dbraw/zinc/20/54/71/334205471.db2.gz LYUMVDPWYOGGDD-QFBILLFUSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@@H](CC1CCOCC1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340449593 334205511 /nfs/dbraw/zinc/20/55/11/334205511.db2.gz LYUMVDPWYOGGDD-LPHOPBHVSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295140024 334219633 /nfs/dbraw/zinc/21/96/33/334219633.db2.gz ZLKUMFOLEPOJKG-WWGRRREGSA-N 1 0 310.363 4.308 20 30 DIEDRO CCOc1ccc(Cl)cc1CC[NH2+]Cc1cc(C#N)cs1 ZINC000534467726 334225769 /nfs/dbraw/zinc/22/57/69/334225769.db2.gz NJAYRKIECNYMRF-UHFFFAOYSA-N 1 0 320.845 4.004 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(N2CCCCC2)cc1 ZINC000295847800 334227938 /nfs/dbraw/zinc/22/79/38/334227938.db2.gz AURGLQRWXFAPNS-AOIWGVFYSA-N 1 0 311.473 4.410 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000296607089 334235331 /nfs/dbraw/zinc/23/53/31/334235331.db2.gz VZVPVLFTEGRJAG-DETPVDSQSA-N 1 0 324.346 4.244 20 30 DIEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000296608666 334235480 /nfs/dbraw/zinc/23/54/80/334235480.db2.gz WDMZHMKWZGMNHE-QRTARXTBSA-N 1 0 301.390 4.108 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)s1 ZINC000296794553 334236605 /nfs/dbraw/zinc/23/66/05/334236605.db2.gz QRISTCVMMYDMBJ-VWYCJHECSA-N 1 0 313.264 4.244 20 30 DIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000298360800 334247985 /nfs/dbraw/zinc/24/79/85/334247985.db2.gz FZCHTENOUHBGIF-IRXDYDNUSA-N 1 0 324.472 4.489 20 30 DIEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000299364641 334255025 /nfs/dbraw/zinc/25/50/25/334255025.db2.gz WULGXEAFDABYLX-NRFANRHFSA-N 1 0 319.452 4.122 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000299721965 334257520 /nfs/dbraw/zinc/25/75/20/334257520.db2.gz SNFBWQHBIOCWCW-CVEARBPZSA-N 1 0 309.413 4.003 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000187664177 334268776 /nfs/dbraw/zinc/26/87/76/334268776.db2.gz AXDJSIXDMMQYLU-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000048818309 334301215 /nfs/dbraw/zinc/30/12/15/334301215.db2.gz FLDCJFAMCBURKF-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000111257153 334314282 /nfs/dbraw/zinc/31/42/82/334314282.db2.gz YGCFQIOBIBPYLX-OAHLLOKOSA-N 1 0 300.446 4.035 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1 ZINC000120521584 334317785 /nfs/dbraw/zinc/31/77/85/334317785.db2.gz KNTBAFVLBLRQNC-SFHVURJKSA-N 1 0 322.452 4.355 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000531975002 334340767 /nfs/dbraw/zinc/34/07/67/334340767.db2.gz NCWCDVVJDSBMBJ-UHFFFAOYSA-N 1 0 312.501 4.343 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303961999 334350412 /nfs/dbraw/zinc/35/04/12/334350412.db2.gz ZYWAUSYCEPUNDD-OALUTQOASA-N 1 0 312.457 4.118 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000541897496 334351978 /nfs/dbraw/zinc/35/19/78/334351978.db2.gz FDNSRKYDPKGPIR-CYBMUJFWSA-N 1 0 305.443 4.320 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)ccc1F ZINC000341589552 334459241 /nfs/dbraw/zinc/45/92/41/334459241.db2.gz MQZKBJYTPREIRV-MRXNPFEDSA-N 1 0 322.305 4.481 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCOc2ccccc21 ZINC000341694966 334471224 /nfs/dbraw/zinc/47/12/24/334471224.db2.gz AJHCUSJBHJNUQH-PMACEKPBSA-N 1 0 318.420 4.439 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000341941926 334494752 /nfs/dbraw/zinc/49/47/52/334494752.db2.gz INOZAVBQIFWXSN-LNLFQRSKSA-N 1 0 314.473 4.073 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Oc2cccnc2)cc1 ZINC000342323462 334532262 /nfs/dbraw/zinc/53/22/62/334532262.db2.gz OFMQPPOXMYIBJY-AWEZNQCLSA-N 1 0 319.364 4.189 20 30 DIEDRO C=CCCCCCN(C)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415909281 334627494 /nfs/dbraw/zinc/62/74/94/334627494.db2.gz SQIKJTCMRPKGAL-UHFFFAOYSA-N 1 0 303.450 4.006 20 30 DIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)ccc1OC(C)C ZINC000048710133 334742756 /nfs/dbraw/zinc/74/27/56/334742756.db2.gz UROBHUGIIBYVKV-HNNXBMFYSA-N 1 0 324.424 4.205 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000417366872 334748347 /nfs/dbraw/zinc/74/83/47/334748347.db2.gz NXGONFFRPCATFQ-VQTJNVASSA-N 1 0 321.399 4.211 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417367329 334755336 /nfs/dbraw/zinc/75/53/36/334755336.db2.gz OPUPVCXZHHTDOX-ZWKOTPCHSA-N 1 0 309.388 4.211 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000417373701 334764968 /nfs/dbraw/zinc/76/49/68/334764968.db2.gz XPGCCWQNJPZTBV-YWZLYKJASA-N 1 0 319.452 4.352 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cn1 ZINC000417374643 334765182 /nfs/dbraw/zinc/76/51/82/334765182.db2.gz YHPADSZTBJBORL-KZULUSFZSA-N 1 0 311.816 4.335 20 30 DIEDRO Cc1cc(C[NH2+]CC2(Sc3ccccc3)CC2)ccc1C#N ZINC000443990615 338465755 /nfs/dbraw/zinc/46/57/55/338465755.db2.gz UFKKWCNEDVDEAA-UHFFFAOYSA-N 1 0 308.450 4.281 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)ccc1C#N ZINC000443999796 338466328 /nfs/dbraw/zinc/46/63/28/338466328.db2.gz DNBAYOTWIKLLLY-SFHVURJKSA-N 1 0 310.372 4.009 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1C#N ZINC000444000607 338466342 /nfs/dbraw/zinc/46/63/42/338466342.db2.gz WLFJMTUAWFMWHA-CJNGLKHVSA-N 1 0 310.363 4.325 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000343697298 335188799 /nfs/dbraw/zinc/18/87/99/335188799.db2.gz RWQGVOJFBWTAJJ-CTNGQTDRSA-N 1 0 320.436 4.010 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C[C@H]1OC ZINC000344328681 335240972 /nfs/dbraw/zinc/24/09/72/335240972.db2.gz LZXBNGCCOKFSJO-KZNAEPCWSA-N 1 0 300.446 4.215 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000444664959 338480240 /nfs/dbraw/zinc/48/02/40/338480240.db2.gz OUPBUOQUYCXKBO-KURKYZTESA-N 1 0 305.510 4.044 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1cc(-n2ccnc2)cs1 ZINC000346162553 335383859 /nfs/dbraw/zinc/38/38/59/335383859.db2.gz ZAPVRNWMARMHFQ-UHFFFAOYSA-N 1 0 316.474 4.086 20 30 DIEDRO C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(C#N)c(F)c1 ZINC000346224263 335386117 /nfs/dbraw/zinc/38/61/17/335386117.db2.gz WRVSNDLCOYBAOF-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO C=CCOCCC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000347561175 335507522 /nfs/dbraw/zinc/50/75/22/335507522.db2.gz MPVCPLKOAAQVTM-UHFFFAOYSA-N 1 0 316.420 4.079 20 30 DIEDRO COCCCC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000348306442 335574810 /nfs/dbraw/zinc/57/48/10/335574810.db2.gz MAYHMXSFLQJWQS-HXUWFJFHSA-N 1 0 308.425 4.206 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1OCCCC#N ZINC000350629014 335767582 /nfs/dbraw/zinc/76/75/82/335767582.db2.gz KYFNNAVAKLSZOK-INIZCTEOSA-N 1 0 316.445 4.046 20 30 DIEDRO C=CCCCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000535807453 335783818 /nfs/dbraw/zinc/78/38/18/335783818.db2.gz LNIAMICKFZBMJH-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000520604405 335994234 /nfs/dbraw/zinc/99/42/34/335994234.db2.gz RRWKOFFCAQYGLQ-KUHUBIRLSA-N 1 0 312.388 4.206 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000520606973 335994250 /nfs/dbraw/zinc/99/42/50/335994250.db2.gz XDWPIGANGIREEF-UHFFFAOYSA-N 1 0 320.436 4.034 20 30 DIEDRO CC[N@H+](Cc1cnc2cccc(C)n12)[C@@H](C)c1ccc(C#N)cc1 ZINC000351606838 336049411 /nfs/dbraw/zinc/04/94/11/336049411.db2.gz GOOVBFWYRTVRNN-INIZCTEOSA-N 1 0 318.424 4.098 20 30 DIEDRO C=C(C)COc1cc(C[N@@H+]2CCCC3(CC3)C2)ccc1OC ZINC000351928960 336180289 /nfs/dbraw/zinc/18/02/89/336180289.db2.gz IGHHHMBLWUCSKG-UHFFFAOYSA-N 1 0 301.430 4.026 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)ccc1F ZINC000352321192 336212167 /nfs/dbraw/zinc/21/21/67/336212167.db2.gz WHGBGXCOBYMDME-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000324413780 336213732 /nfs/dbraw/zinc/21/37/32/336213732.db2.gz WMZJLUZVYYAMAA-UWJYYQICSA-N 1 0 321.468 4.292 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000532514492 336253181 /nfs/dbraw/zinc/25/31/81/336253181.db2.gz AFEPDZIVHYTARP-LEWJYISDSA-N 1 0 312.501 4.343 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000532514882 336253188 /nfs/dbraw/zinc/25/31/88/336253188.db2.gz SAODEZYUGAVCDL-INIZCTEOSA-N 1 0 304.453 4.134 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000532583263 336256337 /nfs/dbraw/zinc/25/63/37/336256337.db2.gz YJEOJMQFPKCKHD-AWEZNQCLSA-N 1 0 308.853 4.345 20 30 DIEDRO CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000532590382 336256685 /nfs/dbraw/zinc/25/66/85/336256685.db2.gz WETVWRSXSNDXOH-TZIWHRDSSA-N 1 0 319.452 4.024 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(C#N)cc1 ZINC000192754385 336260602 /nfs/dbraw/zinc/26/06/02/336260602.db2.gz KRMZDIKTZIMWEV-IERDGZPVSA-N 1 0 313.404 4.393 20 30 DIEDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1C#N ZINC000532745197 336269154 /nfs/dbraw/zinc/26/91/54/336269154.db2.gz IHAIMCZWTPYQGK-QGZVFWFLSA-N 1 0 310.397 4.277 20 30 DIEDRO Cc1ccccc1[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941917 336275253 /nfs/dbraw/zinc/27/52/53/336275253.db2.gz YNMMWJITYOVWHN-JXFKEZNVSA-N 1 0 306.409 4.001 20 30 DIEDRO C[C@H]1C[C@H](C)[NH+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000526990399 336278160 /nfs/dbraw/zinc/27/81/60/336278160.db2.gz LTTICXOFRVWPNN-HOTGVXAUSA-N 1 0 306.409 4.120 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000192988638 336286610 /nfs/dbraw/zinc/28/66/10/336286610.db2.gz KDZWPIHEQPSMKH-HZPDHXFCSA-N 1 0 308.425 4.239 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000192988690 336286635 /nfs/dbraw/zinc/28/66/35/336286635.db2.gz USVSSVCNUYAUNQ-VBKZILBWSA-N 1 0 306.409 4.369 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000193004389 336286961 /nfs/dbraw/zinc/28/69/61/336286961.db2.gz CDSMZAYXMJIUJK-QRWLVFNGSA-N 1 0 306.409 4.391 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2cc3ccccc3c(Cl)n2)CC1 ZINC000301184309 336293834 /nfs/dbraw/zinc/29/38/34/336293834.db2.gz QYNSFOSTOOOLOK-UHFFFAOYSA-N 1 0 315.848 4.341 20 30 DIEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000301440155 336306881 /nfs/dbraw/zinc/30/68/81/336306881.db2.gz UADIMPCRMVWGID-MAUKXSAKSA-N 1 0 311.454 4.115 20 30 DIEDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc3cc(C#N)ccc3n2)C1 ZINC000301991136 336341835 /nfs/dbraw/zinc/34/18/35/336341835.db2.gz XYKPHBRVCBDFMZ-MRXNPFEDSA-N 1 0 322.456 4.030 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000514129703 336375029 /nfs/dbraw/zinc/37/50/29/336375029.db2.gz AHFAWTDPXGLNBC-MRXNPFEDSA-N 1 0 316.395 4.473 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc3cc(F)ccc3o2)cc1 ZINC000352950147 336378944 /nfs/dbraw/zinc/37/89/44/336378944.db2.gz LQZJZQAIJGAFEG-UHFFFAOYSA-N 1 0 311.356 4.427 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)C1 ZINC000193093668 336396716 /nfs/dbraw/zinc/39/67/16/336396716.db2.gz OUGAYEQYTZOWFA-DOMZBBRYSA-N 1 0 319.246 4.110 20 30 DIEDRO N#Cc1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000111104742 336397709 /nfs/dbraw/zinc/39/77/09/336397709.db2.gz MKZPZTOTDAPQGS-MRXNPFEDSA-N 1 0 315.804 4.054 20 30 DIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)cc2)ccn1 ZINC000111387522 336398200 /nfs/dbraw/zinc/39/82/00/336398200.db2.gz WZBMREDQAQSOTA-INIZCTEOSA-N 1 0 323.440 4.056 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOc3ccc(F)cc31)CC2 ZINC000353258937 336408626 /nfs/dbraw/zinc/40/86/26/336408626.db2.gz RZGNTOFGMKRQKW-OALUTQOASA-N 1 0 322.383 4.188 20 30 DIEDRO CC1CCC(OC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000353515332 336421783 /nfs/dbraw/zinc/42/17/83/336421783.db2.gz DVHZMWAOWKZVSI-UHFFFAOYSA-N 1 0 312.457 4.118 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000353660784 336432615 /nfs/dbraw/zinc/43/26/15/336432615.db2.gz OJFFUYANCUQKLL-IBGZPJMESA-N 1 0 306.409 4.364 20 30 DIEDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353911378 336447567 /nfs/dbraw/zinc/44/75/67/336447567.db2.gz BQWSTRJQABZCLH-IBGZPJMESA-N 1 0 324.472 4.070 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000353913998 336447684 /nfs/dbraw/zinc/44/76/84/336447684.db2.gz JTKBKEGILCWMFE-MRXNPFEDSA-N 1 0 304.397 4.088 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H](C)COC)c1ccc(C(F)(F)F)cc1 ZINC000358353514 336625719 /nfs/dbraw/zinc/62/57/19/336625719.db2.gz OWQDMFRELCQZCD-SWLSCSKDSA-N 1 0 301.352 4.337 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2ncccc2c1 ZINC000359027764 336654136 /nfs/dbraw/zinc/65/41/36/336654136.db2.gz HZKSEPONCKUEOA-OAQYLSRUSA-N 1 0 313.404 4.274 20 30 DIEDRO C[C@]1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCO[C@H]1C1CC1 ZINC000360870293 336724947 /nfs/dbraw/zinc/72/49/47/336724947.db2.gz GKOMRXIXLMKEJL-QHAWAJNXSA-N 1 0 324.468 4.121 20 30 DIEDRO CSC1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCC1 ZINC000360882740 336725591 /nfs/dbraw/zinc/72/55/91/336725591.db2.gz GKEPLAFKPZLCJV-KRWDZBQOSA-N 1 0 300.471 4.201 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000362260726 336790028 /nfs/dbraw/zinc/79/00/28/336790028.db2.gz YFZDGHGEZLNZLT-SFHVURJKSA-N 1 0 300.446 4.074 20 30 DIEDRO CC(C)c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000369214411 336860692 /nfs/dbraw/zinc/86/06/92/336860692.db2.gz JVYVKERRLMTLPD-UHFFFAOYSA-N 1 0 319.452 4.262 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnc(C2CCC2)s1 ZINC000418149443 336898079 /nfs/dbraw/zinc/89/80/79/336898079.db2.gz UXPCRXNZWPABKV-SFHVURJKSA-N 1 0 323.465 4.449 20 30 DIEDRO COCCCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374667779 336994575 /nfs/dbraw/zinc/99/45/75/336994575.db2.gz ZEBGTLJZHNYSCX-MRXNPFEDSA-N 1 0 308.425 4.302 20 30 DIEDRO C=CC[NH+](CC=C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000122266816 337000596 /nfs/dbraw/zinc/00/05/96/337000596.db2.gz HVEOFVRNOJTGLV-UHFFFAOYSA-N 1 0 300.446 4.005 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccco1 ZINC000375896984 337022556 /nfs/dbraw/zinc/02/25/56/337022556.db2.gz BZPAXYUYOYJNEC-IAGOWNOFSA-N 1 0 313.397 4.409 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)cc1 ZINC000376178178 337028987 /nfs/dbraw/zinc/02/89/87/337028987.db2.gz OJYCFSKEFNKVQW-KKSFZXQISA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)cc1 ZINC000376178177 337029074 /nfs/dbraw/zinc/02/90/74/337029074.db2.gz OJYCFSKEFNKVQW-IIBYNOLFSA-N 1 0 320.436 4.377 20 30 DIEDRO CC[C@H](c1ccccc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376738332 337040255 /nfs/dbraw/zinc/04/02/55/337040255.db2.gz DSMDUHOFZOBRHT-GOSISDBHSA-N 1 0 305.425 4.090 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1cccc(C#N)c1 ZINC000377589744 337055723 /nfs/dbraw/zinc/05/57/23/337055723.db2.gz UBYAYAIZRPAEIJ-CWFSZBLJSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1cccc(C#N)c1 ZINC000377589743 337055775 /nfs/dbraw/zinc/05/57/75/337055775.db2.gz UBYAYAIZRPAEIJ-CDHQVMDDSA-N 1 0 306.409 4.129 20 30 DIEDRO CN1CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1c1ccc(Cl)cc1 ZINC000377668124 337057983 /nfs/dbraw/zinc/05/79/83/337057983.db2.gz KQQACWNSYOCNLW-IAGOWNOFSA-N 1 0 319.880 4.005 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc(C#N)c1 ZINC000377799366 337061326 /nfs/dbraw/zinc/06/13/26/337061326.db2.gz UBYAYAIZRPAEIJ-BEVDRBHNSA-N 1 0 306.409 4.129 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000582693517 337123337 /nfs/dbraw/zinc/12/33/37/337123337.db2.gz SMLXIJNNIKPCTA-KRWDZBQOSA-N 1 0 300.427 4.211 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cccc(C#N)c1 ZINC000177391288 337155770 /nfs/dbraw/zinc/15/57/70/337155770.db2.gz LCLPZTZFLBWZDC-HOTGVXAUSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177481898 337156078 /nfs/dbraw/zinc/15/60/78/337156078.db2.gz LVVLUIUNICJNKW-MRXNPFEDSA-N 1 0 312.457 4.290 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000178143668 337162646 /nfs/dbraw/zinc/16/26/46/337162646.db2.gz FRWIQYFTQOSFKM-QGZVFWFLSA-N 1 0 312.800 4.215 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000178675572 337165342 /nfs/dbraw/zinc/16/53/42/337165342.db2.gz CGHNITOFXKNICF-OAQYLSRUSA-N 1 0 312.501 4.028 20 30 DIEDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCO2 ZINC000178642791 337165725 /nfs/dbraw/zinc/16/57/25/337165725.db2.gz PRMWMMRXHGCHFJ-AUUYWEPGSA-N 1 0 322.408 4.131 20 30 DIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCCC(C)(C)C#N)C3)nc2c1 ZINC000181145204 337182049 /nfs/dbraw/zinc/18/20/49/337182049.db2.gz DAALUJWNAWVWAK-INIZCTEOSA-N 1 0 324.472 4.381 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(c3ccsc3)CC2)ccc1F ZINC000186932918 337260562 /nfs/dbraw/zinc/26/05/62/337260562.db2.gz LBLASBRNSIBCAV-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1C#N ZINC000186947502 337260662 /nfs/dbraw/zinc/26/06/62/337260662.db2.gz DXGYKKRCPJXYSO-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000187577383 337267138 /nfs/dbraw/zinc/26/71/38/337267138.db2.gz JONQMFPRDXEGAA-LPHOPBHVSA-N 1 0 322.456 4.084 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N(C)CC)nc1)c1ccccc1 ZINC000191448659 337297127 /nfs/dbraw/zinc/29/71/27/337297127.db2.gz IKKMWYVUFZDASF-LJQANCHMSA-N 1 0 309.457 4.335 20 30 DIEDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000584501594 337350605 /nfs/dbraw/zinc/35/06/05/337350605.db2.gz KJLOBLFSZFVQLN-LLVKDONJSA-N 1 0 324.268 4.398 20 30 DIEDRO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCC[C@@H]1C ZINC000120157509 337395489 /nfs/dbraw/zinc/39/54/89/337395489.db2.gz JVBGABZRKMIBJW-YOEHRIQHSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000564116033 337456632 /nfs/dbraw/zinc/45/66/32/337456632.db2.gz WKVQOLRCVIIOFR-UHFFFAOYSA-N 1 0 316.779 4.361 20 30 DIEDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C#N)s1 ZINC000421346782 337527783 /nfs/dbraw/zinc/52/77/83/337527783.db2.gz APFTUFIOVNJICB-NSHDSACASA-N 1 0 324.371 4.359 20 30 DIEDRO Cc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc(C)n1 ZINC000421388469 337529997 /nfs/dbraw/zinc/52/99/97/337529997.db2.gz TVAHKQKLVCANMG-UHFFFAOYSA-N 1 0 319.452 4.192 20 30 DIEDRO COc1ccc(Oc2ccc(C[NH+]3CCC(C#N)CC3)cc2)cc1 ZINC000572405267 337634033 /nfs/dbraw/zinc/63/40/33/337634033.db2.gz VJCBWSLYNYIXNN-UHFFFAOYSA-N 1 0 322.408 4.223 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)cc1 ZINC000268764290 337635430 /nfs/dbraw/zinc/63/54/30/337635430.db2.gz IUBHRFJKLWBCTM-OAHLLOKOSA-N 1 0 316.832 4.372 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc([N+](=O)[O-])c1 ZINC000421882424 337658656 /nfs/dbraw/zinc/65/86/56/337658656.db2.gz PREAFTPLFHFZGO-INIZCTEOSA-N 1 0 315.398 4.159 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1F ZINC000423338960 337712878 /nfs/dbraw/zinc/71/28/78/337712878.db2.gz BDJSWVLLBDBEKJ-HXPMCKFVSA-N 1 0 309.388 4.008 20 30 DIEDRO Cc1cc(N)cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000423486108 337722414 /nfs/dbraw/zinc/72/24/14/337722414.db2.gz VXYDODOQPRFXMN-FQEVSTJZSA-N 1 0 305.425 4.006 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)C1CC1 ZINC000536872315 337752211 /nfs/dbraw/zinc/75/22/11/337752211.db2.gz RREVCBORAXHFFN-CQSZACIVSA-N 1 0 319.399 4.308 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000536871488 337753022 /nfs/dbraw/zinc/75/30/22/337753022.db2.gz QHXLQCMHYIMSDY-LJQANCHMSA-N 1 0 314.473 4.034 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)CC2 ZINC000527962524 337780434 /nfs/dbraw/zinc/78/04/34/337780434.db2.gz FYHOFPTWDVMDAF-UYAOXDASSA-N 1 0 303.409 4.072 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000536874200 337788209 /nfs/dbraw/zinc/78/82/09/337788209.db2.gz CMJPXRIDECKXGX-GFCCVEGCSA-N 1 0 309.356 4.469 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000424290109 337815756 /nfs/dbraw/zinc/81/57/56/337815756.db2.gz BGCDZJFQBDXMNB-RANZSIQMSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000424293845 337816738 /nfs/dbraw/zinc/81/67/38/337816738.db2.gz JQDAHPCNDAMKEJ-IPELMVKDSA-N 1 0 315.457 4.204 20 30 DIEDRO CCOc1ccc([C@@H](CC)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OCC ZINC000424316756 337819902 /nfs/dbraw/zinc/81/99/02/337819902.db2.gz BIJTYVNQJIIOAP-USXIJHARSA-N 1 0 316.445 4.217 20 30 DIEDRO Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424322249 337820436 /nfs/dbraw/zinc/82/04/36/337820436.db2.gz IFVFHCWBEKPXBX-NILFDRSVSA-N 1 0 319.246 4.027 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000118396427 337850494 /nfs/dbraw/zinc/85/04/94/337850494.db2.gz VHAFEEPRPRZDSM-OAHLLOKOSA-N 1 0 323.415 4.335 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000536995184 337860466 /nfs/dbraw/zinc/86/04/66/337860466.db2.gz SXYUDCDKGKHWHT-INIZCTEOSA-N 1 0 315.457 4.335 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000536985306 337860822 /nfs/dbraw/zinc/86/08/22/337860822.db2.gz VHLPCIIZNRUAEK-CPUCHLNUSA-N 1 0 317.864 4.053 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669502 337871769 /nfs/dbraw/zinc/87/17/69/337871769.db2.gz PYDLAGXYSIMPOZ-LSDHHAIUSA-N 1 0 315.486 4.328 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000537095288 337889527 /nfs/dbraw/zinc/88/95/27/337889527.db2.gz RWTPFUMNWMQYMX-CJNGLKHVSA-N 1 0 315.379 4.177 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000537156252 337901834 /nfs/dbraw/zinc/90/18/34/337901834.db2.gz BUUSHHHAFFYADC-GOSISDBHSA-N 1 0 312.388 4.061 20 30 DIEDRO COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000537305339 337930021 /nfs/dbraw/zinc/93/00/21/337930021.db2.gz NRJACLHFFSBULP-HNNXBMFYSA-N 1 0 308.425 4.195 20 30 DIEDRO C[C@H]([NH2+]Cc1cc2c(s1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000537406195 337933565 /nfs/dbraw/zinc/93/35/65/337933565.db2.gz DTJRHOHOVBNNHP-LBPRGKRZSA-N 1 0 314.429 4.488 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000537406799 337933596 /nfs/dbraw/zinc/93/35/96/337933596.db2.gz GXDHJQOOUHLBJM-WCQYABFASA-N 1 0 302.418 4.349 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000537406795 337933636 /nfs/dbraw/zinc/93/36/36/337933636.db2.gz GXDHJQOOUHLBJM-DGCLKSJQSA-N 1 0 302.418 4.349 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000537413542 337934213 /nfs/dbraw/zinc/93/42/13/337934213.db2.gz NLGIZGFGNPOHRK-AWEZNQCLSA-N 1 0 306.475 4.016 20 30 DIEDRO CCn1c2ccccc2c2cc(C[NH2+]CC(C)(C)C#N)ccc21 ZINC000322183485 337998997 /nfs/dbraw/zinc/99/89/97/337998997.db2.gz HVFVZLXOUMHVKE-UHFFFAOYSA-N 1 0 305.425 4.454 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccco1 ZINC000426311432 338026250 /nfs/dbraw/zinc/02/62/50/338026250.db2.gz NSOXZFXXNLWTBF-DOTOQJQBSA-N 1 0 314.404 4.295 20 30 DIEDRO C=CCOc1ccccc1C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000426375673 338029484 /nfs/dbraw/zinc/02/94/84/338029484.db2.gz GGCHCMHJOJVCES-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO CCc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000428445957 338051767 /nfs/dbraw/zinc/05/17/67/338051767.db2.gz HVJSPDWHPLXEME-UHFFFAOYSA-N 1 0 311.429 4.075 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH+](C2CCC2)C2CCC2)cc1 ZINC000429114983 338071040 /nfs/dbraw/zinc/07/10/40/338071040.db2.gz MPCNNNPDQOXKNF-UHFFFAOYSA-N 1 0 307.359 4.464 20 30 DIEDRO CSC[C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000429291623 338076756 /nfs/dbraw/zinc/07/67/56/338076756.db2.gz GZZGMRZMCDTUBT-OAHLLOKOSA-N 1 0 302.487 4.063 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000430008210 338093250 /nfs/dbraw/zinc/09/32/50/338093250.db2.gz VGGCMIWSZDMIPT-UHFFFAOYSA-N 1 0 310.372 4.401 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000430041745 338094299 /nfs/dbraw/zinc/09/42/99/338094299.db2.gz WMAYPHUDTTZBRW-UHFFFAOYSA-N 1 0 300.402 4.338 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000430044491 338094520 /nfs/dbraw/zinc/09/45/20/338094520.db2.gz VXNYFZNHNSJNEC-UHFFFAOYSA-N 1 0 300.789 4.383 20 30 DIEDRO N#CCC1(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000430065267 338094821 /nfs/dbraw/zinc/09/48/21/338094821.db2.gz GUVHXSJCPONOKN-UHFFFAOYSA-N 1 0 302.727 4.142 20 30 DIEDRO C=CCN(CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC000430103983 338096931 /nfs/dbraw/zinc/09/69/31/338096931.db2.gz SOWURTAOTKTYCJ-UHFFFAOYSA-N 1 0 313.626 4.004 20 30 DIEDRO C=CCOc1ccc(C[NH+](C2CCC2)C2CCC2)cc1OC ZINC000430129182 338098127 /nfs/dbraw/zinc/09/81/27/338098127.db2.gz ZAHASDZQQQQYBQ-UHFFFAOYSA-N 1 0 301.430 4.167 20 30 DIEDRO COc1cccc(C[C@H]([NH2+]CC2(CC#N)CC2)c2ccccc2)c1 ZINC000430720714 338112248 /nfs/dbraw/zinc/11/22/48/338112248.db2.gz AQPPFJFFHYGASM-FQEVSTJZSA-N 1 0 320.436 4.262 20 30 DIEDRO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2(CC#N)CC2)cc1F ZINC000430722418 338112391 /nfs/dbraw/zinc/11/23/91/338112391.db2.gz GIBSVRXXXUXSHY-DOTOQJQBSA-N 1 0 316.420 4.144 20 30 DIEDRO C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430726945 338112567 /nfs/dbraw/zinc/11/25/67/338112567.db2.gz WXYHMDUDMLREGS-LIMHQNJXSA-N 1 0 312.457 4.246 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430741285 338112976 /nfs/dbraw/zinc/11/29/76/338112976.db2.gz LZFMNYRTCYIUQH-SSDOTTSWSA-N 1 0 317.248 4.454 20 30 DIEDRO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430740771 338112983 /nfs/dbraw/zinc/11/29/83/338112983.db2.gz KVFHVBBIOUFHIP-MRXNPFEDSA-N 1 0 300.446 4.456 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430742386 338113138 /nfs/dbraw/zinc/11/31/38/338113138.db2.gz WRTLJCDFYMTBQM-WMLDXEAASA-N 1 0 304.384 4.351 20 30 DIEDRO N#CCC1(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000430761381 338114101 /nfs/dbraw/zinc/11/41/01/338114101.db2.gz LWRSRONNMJYSOB-HNNXBMFYSA-N 1 0 319.246 4.110 20 30 DIEDRO N#CCC1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000430762011 338114157 /nfs/dbraw/zinc/11/41/57/338114157.db2.gz NNFRAOCFXBSVIZ-OAHLLOKOSA-N 1 0 323.465 4.471 20 30 DIEDRO C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000432248355 338150620 /nfs/dbraw/zinc/15/06/20/338150620.db2.gz YVCAJNQNCHTRCW-NXVRBGIVSA-N 1 0 300.446 4.193 20 30 DIEDRO C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000432255528 338151371 /nfs/dbraw/zinc/15/13/71/338151371.db2.gz QLBOMJZMWYWIIH-KSTDHSDQSA-N 1 0 300.446 4.193 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000432503034 338157773 /nfs/dbraw/zinc/15/77/73/338157773.db2.gz QTUURELFMWXSSV-HKUYNNGSSA-N 1 0 319.452 4.125 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000433016084 338176483 /nfs/dbraw/zinc/17/64/83/338176483.db2.gz NJUAOHRYFWDJPS-LJQANCHMSA-N 1 0 323.396 4.162 20 30 DIEDRO CO[C@H](C[NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433019996 338176545 /nfs/dbraw/zinc/17/65/45/338176545.db2.gz MELLZHRQPUIRAC-WOJBJXKFSA-N 1 0 308.425 4.399 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1c(F)cccc1F)c1ccccc1 ZINC000433021753 338176819 /nfs/dbraw/zinc/17/68/19/338176819.db2.gz HNHBIWDOIPUDGP-GOSISDBHSA-N 1 0 300.352 4.490 20 30 DIEDRO Cc1cccc2c1C[N@H+](Cc1cccc(OCCCC#N)c1)CC2 ZINC000433046236 338178190 /nfs/dbraw/zinc/17/81/90/338178190.db2.gz TZECTLRPGRFVBG-UHFFFAOYSA-N 1 0 320.436 4.236 20 30 DIEDRO C=CCCCCC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434688816 338223458 /nfs/dbraw/zinc/22/34/58/338223458.db2.gz PYTCQXONTQZKPD-UHFFFAOYSA-N 1 0 301.478 4.145 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1OC ZINC000434991060 338229262 /nfs/dbraw/zinc/22/92/62/338229262.db2.gz KLOWIRAZQBOKFY-GOSISDBHSA-N 1 0 309.409 4.207 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000434991265 338229288 /nfs/dbraw/zinc/22/92/88/338229288.db2.gz LWOXLCZSUNPSSB-FQEVSTJZSA-N 1 0 306.409 4.316 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000435666494 338244610 /nfs/dbraw/zinc/24/46/10/338244610.db2.gz YUDJDSFEABGVAS-XPKDYRNWSA-N 1 0 313.363 4.337 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cccc(C#N)c1 ZINC000435671219 338244840 /nfs/dbraw/zinc/24/48/40/338244840.db2.gz JDGOTLNHZMYQDI-UVIMBBFXSA-N 1 0 312.363 4.433 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000435725153 338246245 /nfs/dbraw/zinc/24/62/45/338246245.db2.gz FJPWZYRVICRDLP-IUODEOHRSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000435725155 338246283 /nfs/dbraw/zinc/24/62/83/338246283.db2.gz FJPWZYRVICRDLP-SWLSCSKDSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000435731461 338246621 /nfs/dbraw/zinc/24/66/21/338246621.db2.gz LSMVBNIBWKQIHG-IUODEOHRSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000435731241 338246739 /nfs/dbraw/zinc/24/67/39/338246739.db2.gz ITVXVJZYLDQFCY-HOCLYGCPSA-N 1 0 313.363 4.085 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000435735447 338246898 /nfs/dbraw/zinc/24/68/98/338246898.db2.gz MYLFWGVMFKPSTP-IAQYHMDHSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000435735446 338246951 /nfs/dbraw/zinc/24/69/51/338246951.db2.gz MYLFWGVMFKPSTP-ABAIWWIYSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000435736488 338246994 /nfs/dbraw/zinc/24/69/94/338246994.db2.gz AQWLKCVTAUDICX-AZUAARDMSA-N 1 0 317.473 4.182 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000435738267 338247064 /nfs/dbraw/zinc/24/70/64/338247064.db2.gz QERHRTBCLFLLMY-LRDDRELGSA-N 1 0 305.805 4.157 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000435743495 338247490 /nfs/dbraw/zinc/24/74/90/338247490.db2.gz AFZWGHRUGGEWDV-YLJYHZDGSA-N 1 0 315.457 4.079 20 30 DIEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000435744446 338247534 /nfs/dbraw/zinc/24/75/34/338247534.db2.gz XMRSXLOUYQIGML-IAGOWNOFSA-N 1 0 306.475 4.083 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000435749854 338247807 /nfs/dbraw/zinc/24/78/07/338247807.db2.gz LQHYXJWOZPQLTA-AUUYWEPGSA-N 1 0 315.388 4.157 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(C#N)cc3)cn(C)c2c1 ZINC000435989620 338255226 /nfs/dbraw/zinc/25/52/26/338255226.db2.gz LTVVWLCHUWOMOY-MRXNPFEDSA-N 1 0 317.436 4.252 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436244874 338263172 /nfs/dbraw/zinc/26/31/72/338263172.db2.gz SEMVMRSOTRNUJN-CTNGQTDRSA-N 1 0 312.501 4.028 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000436291187 338266581 /nfs/dbraw/zinc/26/65/81/338266581.db2.gz KTYVOMBAFOEGKW-PVUWLOKVSA-N 1 0 323.889 4.448 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(C#N)c(F)c1 ZINC000436292128 338266616 /nfs/dbraw/zinc/26/66/16/338266616.db2.gz BCPJNAUBZJLOJM-IWEFOYFVSA-N 1 0 312.363 4.433 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CSc1ccccc1)C(C)C ZINC000436291908 338266656 /nfs/dbraw/zinc/26/66/56/338266656.db2.gz KTSBBXUIURYUHY-QRQLOZEOSA-N 1 0 319.514 4.374 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000436292739 338266748 /nfs/dbraw/zinc/26/67/48/338266748.db2.gz LVMGSYAVTVWQPK-SCTDSRPQSA-N 1 0 301.474 4.314 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000436302080 338267587 /nfs/dbraw/zinc/26/75/87/338267587.db2.gz QVYMCCAKXTZREQ-HRSCSKTISA-N 1 0 305.849 4.157 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000436302910 338267732 /nfs/dbraw/zinc/26/77/32/338267732.db2.gz ASEZOUBYTQKCOO-BTYIYWSLSA-N 1 0 305.421 4.327 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000436304107 338267788 /nfs/dbraw/zinc/26/77/88/338267788.db2.gz FUKWHFPXWWTMHY-UHOSZYNNSA-N 1 0 303.421 4.156 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000436304714 338267908 /nfs/dbraw/zinc/26/79/08/338267908.db2.gz DYSKEOGSPYTPQE-SIIHOXLZSA-N 1 0 305.487 4.259 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000436307538 338268160 /nfs/dbraw/zinc/26/81/60/338268160.db2.gz KWZOYHCCEYNNAK-QZCPTFHJSA-N 1 0 303.421 4.020 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000436307537 338268200 /nfs/dbraw/zinc/26/82/00/338268200.db2.gz KWZOYHCCEYNNAK-OHHBCXFOSA-N 1 0 303.421 4.020 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000436307536 338268201 /nfs/dbraw/zinc/26/82/01/338268201.db2.gz KWZOYHCCEYNNAK-FTUNRGFVSA-N 1 0 303.421 4.020 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000436311877 338268589 /nfs/dbraw/zinc/26/85/89/338268589.db2.gz YEKYLJFHSRILRX-WBAXXEDZSA-N 1 0 309.400 4.233 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000436313414 338268603 /nfs/dbraw/zinc/26/86/03/338268603.db2.gz WTQUSNHTYOVDEI-POAQFYNOSA-N 1 0 315.457 4.088 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CCC)CCc1ccccc1 ZINC000436313948 338268706 /nfs/dbraw/zinc/26/87/06/338268706.db2.gz MNRRJGVDSSWDOR-ZCNNSNEGSA-N 1 0 301.474 4.359 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@H](C)c3cccc(C#N)c3)cn(C)c2c1 ZINC000437088284 338300157 /nfs/dbraw/zinc/30/01/57/338300157.db2.gz LMHRLVOCLFKSGB-MRXNPFEDSA-N 1 0 317.436 4.252 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000437095921 338300559 /nfs/dbraw/zinc/30/05/59/338300559.db2.gz XYJHRTOOVKGHLI-QMTHXVAHSA-N 1 0 302.315 4.325 20 30 DIEDRO CCCC[C@H](CC)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437108287 338301296 /nfs/dbraw/zinc/30/12/96/338301296.db2.gz DWAFACNBULRZSD-AOCRQIFASA-N 1 0 315.461 4.202 20 30 DIEDRO CCCC[C@@H](CC)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437108290 338301341 /nfs/dbraw/zinc/30/13/41/338301341.db2.gz DWAFACNBULRZSD-WWDZGPRUSA-N 1 0 315.461 4.202 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438197683 338336206 /nfs/dbraw/zinc/33/62/06/338336206.db2.gz DGJCBRHGWOXSMW-NHCUHLMSSA-N 1 0 312.501 4.127 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000438992186 338357939 /nfs/dbraw/zinc/35/79/39/338357939.db2.gz QJQISIWMDHDQBK-QMMLZNLJSA-N 1 0 312.501 4.374 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)C1CC1 ZINC000439010984 338358392 /nfs/dbraw/zinc/35/83/92/338358392.db2.gz ZJSCSOMCJTWFDI-QZTJIDSGSA-N 1 0 302.462 4.059 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)C1CC1 ZINC000439077799 338360374 /nfs/dbraw/zinc/36/03/74/338360374.db2.gz MDSJZXGOAJFXAZ-LJQANCHMSA-N 1 0 313.489 4.152 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(C#N)cc1Cl ZINC000439431018 338369278 /nfs/dbraw/zinc/36/92/78/338369278.db2.gz OMQDGZLPHRGRIQ-UHFFFAOYSA-N 1 0 300.789 4.035 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000439437369 338369494 /nfs/dbraw/zinc/36/94/94/338369494.db2.gz JWVCIHSWQACZOU-HOTGVXAUSA-N 1 0 306.862 4.072 20 30 DIEDRO N#CCSCCC[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440331632 338385741 /nfs/dbraw/zinc/38/57/41/338385741.db2.gz OFNYGEYNUZJGNZ-IBGZPJMESA-N 1 0 314.498 4.003 20 30 DIEDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000440612507 338392400 /nfs/dbraw/zinc/39/24/00/338392400.db2.gz JPGUHLDELVGZCH-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2c3ccccc3CCC[C@@H]2C)ccc1C#N ZINC000440633436 338393346 /nfs/dbraw/zinc/39/33/46/338393346.db2.gz DZAFEVKIDWSWIT-BTYIYWSLSA-N 1 0 320.436 4.370 20 30 DIEDRO COc1cc(C[NH2+]CCc2ccc3ccccc3c2)ccc1C#N ZINC000440806977 338397977 /nfs/dbraw/zinc/39/79/77/338397977.db2.gz IUMREXJTGDVFJV-UHFFFAOYSA-N 1 0 316.404 4.052 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000442779494 338430731 /nfs/dbraw/zinc/43/07/31/338430731.db2.gz LPJOKNZPPIPBQT-AAEUAGOBSA-N 1 0 313.228 4.044 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000442781860 338430846 /nfs/dbraw/zinc/43/08/46/338430846.db2.gz KEGKICQFSKWUMG-AEFFLSMTSA-N 1 0 306.409 4.014 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442783278 338430954 /nfs/dbraw/zinc/43/09/54/338430954.db2.gz QZWUBYMUENRJCD-UHFFFAOYSA-N 1 0 324.440 4.205 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442783313 338430983 /nfs/dbraw/zinc/43/09/83/338430983.db2.gz PWNWULQNCHHKRE-SJLPKXTDSA-N 1 0 314.473 4.281 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000442790757 338431571 /nfs/dbraw/zinc/43/15/71/338431571.db2.gz HNCALPRWOKIYRC-UWVAXJGDSA-N 1 0 308.400 4.391 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccc(C)cc2)cc1 ZINC000442796260 338432178 /nfs/dbraw/zinc/43/21/78/338432178.db2.gz VSIITXGINKSLIG-LDQXTDLNSA-N 1 0 320.436 4.375 20 30 DIEDRO COc1cc(C[NH+]2CCC(c3ccsc3)CC2)ccc1C#N ZINC000442833858 338433927 /nfs/dbraw/zinc/43/39/27/338433927.db2.gz JCJNREWJOIBLJI-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442873022 338437022 /nfs/dbraw/zinc/43/70/22/338437022.db2.gz OKYMXMMGVDMVDY-WFASDCNBSA-N 1 0 308.347 4.366 20 30 DIEDRO C=CC1CC[NH+](Cc2coc(-c3ccc(OCC)cc3)n2)CC1 ZINC000447042574 338543490 /nfs/dbraw/zinc/54/34/90/338543490.db2.gz SVVAPGAPCYOOHX-UHFFFAOYSA-N 1 0 312.413 4.138 20 30 DIEDRO CC[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 ZINC000447518542 338553696 /nfs/dbraw/zinc/55/36/96/338553696.db2.gz WMZNZEDFFLJULZ-IBGZPJMESA-N 1 0 303.409 4.323 20 30 DIEDRO CC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000447529001 338554198 /nfs/dbraw/zinc/55/41/98/338554198.db2.gz KMWQURFWEMGZJJ-LJQANCHMSA-N 1 0 308.400 4.470 20 30 DIEDRO Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447529638 338554425 /nfs/dbraw/zinc/55/44/25/338554425.db2.gz MIUOIRFYZFRDHL-HIFRSBDPSA-N 1 0 321.262 4.238 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000447532833 338554805 /nfs/dbraw/zinc/55/48/05/338554805.db2.gz VSDKQSJOUXCUDA-IBGZPJMESA-N 1 0 306.409 4.364 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(C#N)cc1 ZINC000447535254 338555002 /nfs/dbraw/zinc/55/50/02/338555002.db2.gz DTCZJIHNFUWQCA-PKOBYXMFSA-N 1 0 306.409 4.165 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447538529 338555455 /nfs/dbraw/zinc/55/54/55/338555455.db2.gz CIKKBEVTZIGYPB-FOIQADDNSA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(C#N)cc1 ZINC000447540526 338555606 /nfs/dbraw/zinc/55/56/06/338555606.db2.gz JLDYXIQYNIGCJT-IBGZPJMESA-N 1 0 308.400 4.470 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000447543891 338555636 /nfs/dbraw/zinc/55/56/36/338555636.db2.gz TTZKGKNOFVUMFQ-RTWAWAEBSA-N 1 0 321.468 4.210 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2cc[nH]c21 ZINC000447569824 338557613 /nfs/dbraw/zinc/55/76/13/338557613.db2.gz DPZVHHHZVZGEMI-IBGZPJMESA-N 1 0 301.393 4.207 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1 ZINC000447587838 338559761 /nfs/dbraw/zinc/55/97/61/338559761.db2.gz RUKJXCSZAKLHIR-DLBZAZTESA-N 1 0 312.800 4.386 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000447589819 338560119 /nfs/dbraw/zinc/56/01/19/338560119.db2.gz ZBQPIYFJTNRDKP-PWRODBHTSA-N 1 0 319.452 4.044 20 30 DIEDRO CCCNc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000447599188 338561235 /nfs/dbraw/zinc/56/12/35/338561235.db2.gz XHBQIICSFBLBPD-CQSZACIVSA-N 1 0 311.404 4.370 20 30 DIEDRO CC(C)COC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccco1 ZINC000449104795 338593954 /nfs/dbraw/zinc/59/39/54/338593954.db2.gz BKMZTBKJUFMTCI-UPTPFMHGSA-N 1 0 304.434 4.055 20 30 DIEDRO C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1ccc(Cl)cc1 ZINC000449170222 338598931 /nfs/dbraw/zinc/59/89/31/338598931.db2.gz FRMGTCZIFGYHCJ-KTAKPFMOSA-N 1 0 306.837 4.169 20 30 DIEDRO CCCOc1cc(C)ccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449188939 338600842 /nfs/dbraw/zinc/60/08/42/338600842.db2.gz HBRPLQBGPMCWTD-UHFFFAOYSA-N 1 0 300.446 4.346 20 30 DIEDRO C[C@H](CC(C)(C)C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000449208995 338602563 /nfs/dbraw/zinc/60/25/63/338602563.db2.gz FCXHPEIRMCZPND-ODIFPOPNSA-N 1 0 315.461 4.058 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000449224101 338603962 /nfs/dbraw/zinc/60/39/62/338603962.db2.gz ZSXIRLAVYWMDDH-DOTOQJQBSA-N 1 0 300.450 4.151 20 30 DIEDRO COC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000449289222 338609750 /nfs/dbraw/zinc/60/97/50/338609750.db2.gz RGVSRSUFXPUMHN-AQFXKWCLSA-N 1 0 306.837 4.090 20 30 DIEDRO COc1cc2ccccc2cc1C[NH2+]CC1CCC(C#N)CC1 ZINC000449303771 338611249 /nfs/dbraw/zinc/61/12/49/338611249.db2.gz NNBICEYYTAHRKB-UHFFFAOYSA-N 1 0 308.425 4.268 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000449310535 338611692 /nfs/dbraw/zinc/61/16/92/338611692.db2.gz HKJUNTGTHGGGNC-FUHWJXTLSA-N 1 0 315.461 4.017 20 30 DIEDRO C[C@H](CCOCc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449334101 338614270 /nfs/dbraw/zinc/61/42/70/338614270.db2.gz WUEYEYVHOUWVPP-IPJUCJBFSA-N 1 0 300.446 4.044 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)cc1F ZINC000449736739 338649242 /nfs/dbraw/zinc/64/92/42/338649242.db2.gz OBGCYLNHCFZHSL-UHFFFAOYSA-N 1 0 316.326 4.011 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccco2)cc1 ZINC000449780381 338652406 /nfs/dbraw/zinc/65/24/06/338652406.db2.gz VDGFFROYHUJJNP-QOKNQOGYSA-N 1 0 310.397 4.050 20 30 DIEDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450715598 338700774 /nfs/dbraw/zinc/70/07/74/338700774.db2.gz JGKAYYJWACDAGT-HZPDHXFCSA-N 1 0 308.425 4.037 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000450883415 338710325 /nfs/dbraw/zinc/71/03/25/338710325.db2.gz WYJVINILYYVGEW-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000453195091 338805949 /nfs/dbraw/zinc/80/59/49/338805949.db2.gz OWEGCSXBAMMQEE-HUUCEWRRSA-N 1 0 311.404 4.154 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CSc3ccccc31)CC2 ZINC000453215720 338809004 /nfs/dbraw/zinc/80/90/04/338809004.db2.gz GQKORFMTASDUNP-CRAIPNDOSA-N 1 0 306.434 4.025 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ncc(-c2ccccc2)n1C ZINC000453224563 338810432 /nfs/dbraw/zinc/81/04/32/338810432.db2.gz MAKWLAXLLKBOTB-OAHLLOKOSA-N 1 0 310.445 4.068 20 30 DIEDRO CSCC1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000453269363 338816632 /nfs/dbraw/zinc/81/66/32/338816632.db2.gz MNMVSLOVFFVFSV-VEAWUBTESA-N 1 0 306.450 4.270 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000453358733 338830996 /nfs/dbraw/zinc/83/09/96/338830996.db2.gz OQOJZZNJYCRGAL-FZMZJTMJSA-N 1 0 322.499 4.158 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1F ZINC000453366149 338832507 /nfs/dbraw/zinc/83/25/07/338832507.db2.gz MEBLHWLEYCJXMB-LIRRHRJNSA-N 1 0 323.415 4.319 20 30 DIEDRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)CCCO2 ZINC000453386684 338836067 /nfs/dbraw/zinc/83/60/67/338836067.db2.gz OTVBSCVSFHPTAM-IBGZPJMESA-N 1 0 324.399 4.318 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCOCC1CCCC1)c1ccccc1 ZINC000459489652 339032298 /nfs/dbraw/zinc/03/22/98/339032298.db2.gz RIODPHQVONGYNS-LJQANCHMSA-N 1 0 300.446 4.218 20 30 DIEDRO COc1ccc(-c2ccccc2C)cc1C[NH2+]CC1(CC#N)CC1 ZINC000459502480 339032940 /nfs/dbraw/zinc/03/29/40/339032940.db2.gz AOSAPOHZTXKFET-UHFFFAOYSA-N 1 0 320.436 4.454 20 30 DIEDRO Cc1nc2scc(C3CC3)n2c1C[NH2+]CC(C)(C)CCC#N ZINC000459558198 339035729 /nfs/dbraw/zinc/03/57/29/339035729.db2.gz IXVONSCOXJSWBK-UHFFFAOYSA-N 1 0 316.474 4.001 20 30 DIEDRO C=C(CC)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459566075 339036250 /nfs/dbraw/zinc/03/62/50/339036250.db2.gz VTIDHNHRWDFSFL-UHFFFAOYSA-N 1 0 310.445 4.116 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000459640595 339039888 /nfs/dbraw/zinc/03/98/88/339039888.db2.gz LQRDDNHTJWYAQP-KRWDZBQOSA-N 1 0 321.468 4.384 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC(C)(C)CC#N ZINC000459661232 339041312 /nfs/dbraw/zinc/04/13/12/339041312.db2.gz AZPLWBTWPXKUQB-UHFFFAOYSA-N 1 0 310.445 4.025 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459663981 339041554 /nfs/dbraw/zinc/04/15/54/339041554.db2.gz PEWLSMUNXQXQGQ-OAHLLOKOSA-N 1 0 319.411 4.414 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)nc1C ZINC000459672504 339042126 /nfs/dbraw/zinc/04/21/26/339042126.db2.gz QQFMQIOHWXXQQC-UHFFFAOYSA-N 1 0 319.452 4.192 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673364 339042246 /nfs/dbraw/zinc/04/22/46/339042246.db2.gz YLFKCPISANKXKG-CABCVRRESA-N 1 0 319.411 4.412 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000459734527 339045168 /nfs/dbraw/zinc/04/51/68/339045168.db2.gz RRZMQXCDBFHNLW-UHFFFAOYSA-N 1 0 321.671 4.193 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc(OC)c1O ZINC000462736743 339085816 /nfs/dbraw/zinc/08/58/16/339085816.db2.gz UVWFTTJYMYYNJG-LZLYRXPVSA-N 1 0 315.457 4.188 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)Oc2ccc(C)cc2)c1 ZINC000462737668 339085865 /nfs/dbraw/zinc/08/58/65/339085865.db2.gz JRAFIFYDWILQFX-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)Oc2ccc(C)cc2)cc1 ZINC000462739030 339086077 /nfs/dbraw/zinc/08/60/77/339086077.db2.gz NCDSFUFQUQKYLL-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000462750172 339086712 /nfs/dbraw/zinc/08/67/12/339086712.db2.gz XNAZSXHYEUUCKK-ZTRSQXPZSA-N 1 0 312.457 4.417 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000463272033 339112860 /nfs/dbraw/zinc/11/28/60/339112860.db2.gz NNCWMRWTFLDGHL-CMKODMSKSA-N 1 0 300.490 4.374 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000463277669 339112955 /nfs/dbraw/zinc/11/29/55/339112955.db2.gz TXPMFCBGTLZBCV-LJQANCHMSA-N 1 0 314.517 4.418 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000463280681 339113059 /nfs/dbraw/zinc/11/30/59/339113059.db2.gz ISOZOGKYPKPEQO-UXLLHSPISA-N 1 0 316.445 4.217 20 30 DIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000463280615 339113074 /nfs/dbraw/zinc/11/30/74/339113074.db2.gz DVKINKGZNBBYPA-LZLYRXPVSA-N 1 0 315.461 4.067 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000463280682 339113100 /nfs/dbraw/zinc/11/31/00/339113100.db2.gz ISOZOGKYPKPEQO-YQQAZPJKSA-N 1 0 316.445 4.217 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000463288303 339113508 /nfs/dbraw/zinc/11/35/08/339113508.db2.gz BSQVBOCHUKGHDQ-PXNSSMCTSA-N 1 0 320.436 4.438 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463441776 339117927 /nfs/dbraw/zinc/11/79/27/339117927.db2.gz SLHLMLHHZJNNPY-AZUAARDMSA-N 1 0 301.474 4.048 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(Cl)cc2Cl)c1 ZINC000466412124 339203274 /nfs/dbraw/zinc/20/32/74/339203274.db2.gz LISSROIQERSMCC-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2cc(Cl)cc3cccnc32)c1 ZINC000466421600 339203944 /nfs/dbraw/zinc/20/39/44/339203944.db2.gz MMWDNBPWQZSYSX-UHFFFAOYSA-N 1 0 321.811 4.092 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]CCc1cccc(C#N)c1 ZINC000466423087 339204043 /nfs/dbraw/zinc/20/40/43/339204043.db2.gz BIRFPVFTUONVOH-UHFFFAOYSA-N 1 0 316.404 4.052 20 30 DIEDRO C=CCc1cc(C[NH2+]C2CC(c3ccccc3)C2)cc(OC)c1O ZINC000466422671 339204144 /nfs/dbraw/zinc/20/41/44/339204144.db2.gz VSQKNVHGAKIWMU-UHFFFAOYSA-N 1 0 323.436 4.165 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000466425713 339204323 /nfs/dbraw/zinc/20/43/23/339204323.db2.gz MORLBUICBVSVKP-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000466663403 339212291 /nfs/dbraw/zinc/21/22/91/339212291.db2.gz FGGCMDLCWWDERV-SFHVURJKSA-N 1 0 322.537 4.195 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](CCCSCC#N)CC1CCC1 ZINC000466720108 339214211 /nfs/dbraw/zinc/21/42/11/339214211.db2.gz ZGKIHPYYJLPPRX-MRXNPFEDSA-N 1 0 302.487 4.497 20 30 DIEDRO Cc1cccc([C@H]2CCCC[N@@H+]2CCCSCC#N)c1C ZINC000466731703 339214732 /nfs/dbraw/zinc/21/47/32/339214732.db2.gz RULFIGSVLSIXMY-GOSISDBHSA-N 1 0 302.487 4.477 20 30 DIEDRO CCc1ccc([C@H]2CCCCC[N@@H+]2CCCSCC#N)o1 ZINC000466745111 339215553 /nfs/dbraw/zinc/21/55/53/339215553.db2.gz HKGNCEDFYCMYIT-MRXNPFEDSA-N 1 0 306.475 4.406 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000467191911 339227721 /nfs/dbraw/zinc/22/77/21/339227721.db2.gz RMZIJBZTJIMRMS-GOEBONIOSA-N 1 0 316.420 4.230 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000467290190 339230027 /nfs/dbraw/zinc/23/00/27/339230027.db2.gz QBWSESMOGMCEIQ-UHFFFAOYSA-N 1 0 321.218 4.112 20 30 DIEDRO C=CCC[N@@H+](C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000467294350 339230113 /nfs/dbraw/zinc/23/01/13/339230113.db2.gz XLEMOECWGCTOLX-GOSISDBHSA-N 1 0 312.388 4.013 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000467297344 339230262 /nfs/dbraw/zinc/23/02/62/339230262.db2.gz NXNSRDYXWLVHGI-UHFFFAOYSA-N 1 0 320.177 4.058 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467338485 339232386 /nfs/dbraw/zinc/23/23/86/339232386.db2.gz KJFRGCSAASPKSF-LBPRGKRZSA-N 1 0 303.393 4.145 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000467371930 339235053 /nfs/dbraw/zinc/23/50/53/339235053.db2.gz YQJOYUJHVMKMPY-UHFFFAOYSA-N 1 0 311.425 4.379 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467403594 339236702 /nfs/dbraw/zinc/23/67/02/339236702.db2.gz IHFYXYJIMAGDIX-QGZVFWFLSA-N 1 0 322.880 4.011 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000467406077 339236751 /nfs/dbraw/zinc/23/67/51/339236751.db2.gz RXTIAKIAZNFGEW-BBRMVZONSA-N 1 0 301.409 4.325 20 30 DIEDRO COc1cccc2cc([C@@H](C)[NH2+]CCc3cccc(C#N)c3)oc21 ZINC000467430069 339238009 /nfs/dbraw/zinc/23/80/09/339238009.db2.gz OTKHYXFKQUDHOB-CQSZACIVSA-N 1 0 320.392 4.206 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000467432930 339238198 /nfs/dbraw/zinc/23/81/98/339238198.db2.gz NNGGRBIFCIJRAI-SFTDATJTSA-N 1 0 304.437 4.102 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000467435347 339238486 /nfs/dbraw/zinc/23/84/86/339238486.db2.gz XVTMWEOIAFCQKS-SFTDATJTSA-N 1 0 304.437 4.335 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000467439022 339238754 /nfs/dbraw/zinc/23/87/54/339238754.db2.gz KBJBBGLEZLWROJ-OAQYLSRUSA-N 1 0 320.411 4.466 20 30 DIEDRO CC1(C)[C@H]([NH2+]CCc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000467443052 339238895 /nfs/dbraw/zinc/23/88/95/339238895.db2.gz AVVLIDCFKSVZEY-VQTJNVASSA-N 1 0 304.437 4.273 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000467450530 339239457 /nfs/dbraw/zinc/23/94/57/339239457.db2.gz WBPRZYRGDCWCQW-NHCUHLMSSA-N 1 0 304.437 4.417 20 30 DIEDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCc1cccc(C#N)c1 ZINC000467449869 339239492 /nfs/dbraw/zinc/23/94/92/339239492.db2.gz MAXIHMXEEOMCNK-ZDUSSCGKSA-N 1 0 318.873 4.427 20 30 DIEDRO N#Cc1cccc(CC[NH2+]C2c3ccccc3-c3ccccc32)c1 ZINC000467452105 339239544 /nfs/dbraw/zinc/23/95/44/339239544.db2.gz BWSSMYVZCFHUAK-UHFFFAOYSA-N 1 0 310.400 4.460 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467455728 339239770 /nfs/dbraw/zinc/23/97/70/339239770.db2.gz LVWGCTCPAYTKIY-HNNXBMFYSA-N 1 0 310.466 4.043 20 30 DIEDRO C=CCC(CC=C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000467840723 339247388 /nfs/dbraw/zinc/24/73/88/339247388.db2.gz WLLHYDILWLTIRU-INIZCTEOSA-N 1 0 314.473 4.000 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468270793 339258301 /nfs/dbraw/zinc/25/83/01/339258301.db2.gz QICCBSKYJAGZTH-GUYCJALGSA-N 1 0 312.363 4.214 20 30 DIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000468284055 339258906 /nfs/dbraw/zinc/25/89/06/339258906.db2.gz BSQCQLCIGSOETL-FQEVSTJZSA-N 1 0 323.415 4.100 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469458713 339290223 /nfs/dbraw/zinc/29/02/23/339290223.db2.gz JKBIQCMXFPOYMH-CJNGLKHVSA-N 1 0 312.363 4.387 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)c1cccc(Cl)c1F ZINC000469561722 339293272 /nfs/dbraw/zinc/29/32/72/339293272.db2.gz GFQWZGDDNZKPEX-UHFFFAOYSA-N 1 0 322.836 4.480 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000469778064 339299223 /nfs/dbraw/zinc/29/92/23/339299223.db2.gz YHIQKEQJPRXXCF-JKSUJKDBSA-N 1 0 308.878 4.366 20 30 DIEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000470180588 339313197 /nfs/dbraw/zinc/31/31/97/339313197.db2.gz PREZNIZURMNLQB-DHDCSXOGSA-N 1 0 321.380 4.002 20 30 DIEDRO C=CCOCCC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000470721075 339325997 /nfs/dbraw/zinc/32/59/97/339325997.db2.gz BGOHVEOHJMKLDZ-CYBMUJFWSA-N 1 0 312.251 4.035 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000470763252 339326967 /nfs/dbraw/zinc/32/69/67/339326967.db2.gz CIDKYOIFBOIAEE-KBPBESRZSA-N 1 0 315.379 4.380 20 30 DIEDRO C=CCOCCC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000470764365 339327052 /nfs/dbraw/zinc/32/70/52/339327052.db2.gz GRGPXEWEERYDLB-MRXNPFEDSA-N 1 0 311.878 4.023 20 30 DIEDRO C=CCOCCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000470778163 339327670 /nfs/dbraw/zinc/32/76/70/339327670.db2.gz BUCHYLRZGSDNMM-INIZCTEOSA-N 1 0 313.363 4.339 20 30 DIEDRO C=C(C)C[N@H+](Cc1c(C)nc2ccccn21)Cc1ccccc1 ZINC000470915446 339331164 /nfs/dbraw/zinc/33/11/64/339331164.db2.gz DJLACZNWQQLLOQ-UHFFFAOYSA-N 1 0 305.425 4.221 20 30 DIEDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000470955837 339332978 /nfs/dbraw/zinc/33/29/78/339332978.db2.gz OYWAYXJIIXVFRF-GXTWGEPZSA-N 1 0 310.363 4.260 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000471592437 339348455 /nfs/dbraw/zinc/34/84/55/339348455.db2.gz FIQWBKHXNRUZAW-OAHLLOKOSA-N 1 0 322.880 4.023 20 30 DIEDRO C=CCCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000471595266 339348598 /nfs/dbraw/zinc/34/85/98/339348598.db2.gz SUQGOSFLEYVUSL-QGZVFWFLSA-N 1 0 303.837 4.109 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000471605324 339349178 /nfs/dbraw/zinc/34/91/78/339349178.db2.gz GHTIMMWFMGYMIN-HNNXBMFYSA-N 1 0 303.450 4.223 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000472137997 339364045 /nfs/dbraw/zinc/36/40/45/339364045.db2.gz ICJXLVFQCBAMPR-QWHCGFSZSA-N 1 0 323.421 4.338 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000472145082 339364168 /nfs/dbraw/zinc/36/41/68/339364168.db2.gz ASTGCWYERQTXQR-AEFFLSMTSA-N 1 0 324.399 4.187 20 30 DIEDRO COc1ccc(C[C@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)cc1 ZINC000472250631 339367628 /nfs/dbraw/zinc/36/76/28/339367628.db2.gz JGKAJGPVKFSYDY-GOSISDBHSA-N 1 0 314.473 4.280 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(C)c1 ZINC000474011302 339396927 /nfs/dbraw/zinc/39/69/27/339396927.db2.gz PQMIVGLELSGIMM-UHFFFAOYSA-N 1 0 312.388 4.084 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474714403 339423440 /nfs/dbraw/zinc/42/34/40/339423440.db2.gz ZPXPTQURFVTNAP-CABCVRRESA-N 1 0 306.881 4.072 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474729532 339424376 /nfs/dbraw/zinc/42/43/76/339424376.db2.gz WYJSJAXRKOBEJD-GRYCIOLGSA-N 1 0 301.908 4.402 20 30 DIEDRO C=CC[NH+]1CCC(NC(=O)N(CCCCC)[C@H](C)CCC)CC1 ZINC000476043951 339467804 /nfs/dbraw/zinc/46/78/04/339467804.db2.gz TVOLIJZWVANADO-QGZVFWFLSA-N 1 0 323.525 4.027 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000478230099 339510922 /nfs/dbraw/zinc/51/09/22/339510922.db2.gz MLVAVPRUVFOLMS-HXUWFJFHSA-N 1 0 306.384 4.423 20 30 DIEDRO CC1(C)C[C@H]([NH2+]CCCCC#N)c2cc(Br)ccc21 ZINC000479076115 339527092 /nfs/dbraw/zinc/52/70/92/339527092.db2.gz JOWIHNLXPNPOSS-HNNXBMFYSA-N 1 0 321.262 4.455 20 30 DIEDRO C=CCCCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000479550252 339540641 /nfs/dbraw/zinc/54/06/41/339540641.db2.gz BHPLDWNLYRESDX-UHFFFAOYSA-N 1 0 314.473 4.035 20 30 DIEDRO C=CCCCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000479575927 339541844 /nfs/dbraw/zinc/54/18/44/339541844.db2.gz LQJGPGZXHDMYJT-UHFFFAOYSA-N 1 0 314.473 4.035 20 30 DIEDRO C=CCCCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000479643755 339544577 /nfs/dbraw/zinc/54/45/77/339544577.db2.gz TYWQSYNUIQCWPL-KRWDZBQOSA-N 1 0 314.473 4.123 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000480209357 339563650 /nfs/dbraw/zinc/56/36/50/339563650.db2.gz MJNSQZDZICPCIM-ZDUSSCGKSA-N 1 0 301.352 4.462 20 30 DIEDRO N#Cc1ccc(NC2CC([NH+]3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000480823551 339588293 /nfs/dbraw/zinc/58/82/93/339588293.db2.gz MNFOTOFIWALNGO-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO CC1(C)[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[C@@H]2CCCO[C@@H]21 ZINC000481661171 339609031 /nfs/dbraw/zinc/60/90/31/339609031.db2.gz BHQSWTMWJREECD-NMLBUPMWSA-N 1 0 324.468 4.119 20 30 DIEDRO Cc1cccc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000481777645 339613954 /nfs/dbraw/zinc/61/39/54/339613954.db2.gz JYIMLGLPJKXWCD-KRWDZBQOSA-N 1 0 320.436 4.471 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1Cc2ccccc2C1 ZINC000482004606 339619356 /nfs/dbraw/zinc/61/93/56/339619356.db2.gz JJCCSOGIPNXEPY-NRFANRHFSA-N 1 0 302.421 4.083 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000482070973 339621749 /nfs/dbraw/zinc/62/17/49/339621749.db2.gz GJECYJRWUNUAHA-SUHNOJJYSA-N 1 0 306.812 4.339 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000482630108 339638063 /nfs/dbraw/zinc/63/80/63/339638063.db2.gz MPAGPIUURHSFEE-GOSISDBHSA-N 1 0 306.881 4.421 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(CCC)cc2)CC1 ZINC000482647537 339638962 /nfs/dbraw/zinc/63/89/62/339638962.db2.gz KNVLYKKYMFMVOE-QGZVFWFLSA-N 1 0 300.490 4.330 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc2ncsc2c1 ZINC000485803526 339713142 /nfs/dbraw/zinc/71/31/42/339713142.db2.gz OQAKQNYWBXITTO-NSHDSACASA-N 1 0 311.385 4.158 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485821678 339713757 /nfs/dbraw/zinc/71/37/57/339713757.db2.gz LAIOUGHQTWVVOA-LBPRGKRZSA-N 1 0 323.421 4.027 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc2ncsc2c1 ZINC000485835623 339713967 /nfs/dbraw/zinc/71/39/67/339713967.db2.gz ZDSLOLDHLRAZBM-LLVKDONJSA-N 1 0 311.385 4.158 20 30 DIEDRO Cc1cc(C[NH+]2CC(c3nc4ccccc4s3)C2)ccc1C#N ZINC000488154698 339771939 /nfs/dbraw/zinc/77/19/39/339771939.db2.gz WCHQMVNLTINHOC-UHFFFAOYSA-N 1 0 319.433 4.076 20 30 DIEDRO Cc1cc(C[NH+]2CCC(OCC3CCCC3)CC2)ccc1C#N ZINC000488200064 339773108 /nfs/dbraw/zinc/77/31/08/339773108.db2.gz RBBVXXIWEQSKQO-UHFFFAOYSA-N 1 0 312.457 4.038 20 30 DIEDRO C=CC[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000488324138 339777210 /nfs/dbraw/zinc/77/72/10/339777210.db2.gz JJMKOCODDYGMNE-HXUWFJFHSA-N 1 0 322.452 4.089 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492582441 339904490 /nfs/dbraw/zinc/90/44/90/339904490.db2.gz WELFYWGYKHNOMS-ZDUSSCGKSA-N 1 0 315.383 4.284 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000494464083 339950167 /nfs/dbraw/zinc/95/01/67/339950167.db2.gz OFJDGQNLGMAPEG-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000497100407 340020261 /nfs/dbraw/zinc/02/02/61/340020261.db2.gz SXXWPPNAOINQAP-MEDUHNTESA-N 1 0 320.845 4.139 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000497100405 340020263 /nfs/dbraw/zinc/02/02/63/340020263.db2.gz SXXWPPNAOINQAP-BDJLRTHQSA-N 1 0 320.845 4.139 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000498675117 340021762 /nfs/dbraw/zinc/02/17/62/340021762.db2.gz KZUJCEHMZYCRMI-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)[C@@H](C)C1CCCCC1 ZINC000499628796 340041622 /nfs/dbraw/zinc/04/16/22/340041622.db2.gz WYJRAGQQELJNPI-IAGOWNOFSA-N 1 0 306.494 4.281 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)cc(OC)c1O ZINC000500143562 340051252 /nfs/dbraw/zinc/05/12/52/340051252.db2.gz HXVOIOWKTKEIJW-YOEHRIQHSA-N 1 0 303.446 4.045 20 30 DIEDRO COc1cccc(C2(F)CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000500151351 340051401 /nfs/dbraw/zinc/05/14/01/340051401.db2.gz FRBOQBUKWFJCMC-UHFFFAOYSA-N 1 0 324.399 4.028 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000500184752 340052396 /nfs/dbraw/zinc/05/23/96/340052396.db2.gz WMLLYELGHRTASW-HXUWFJFHSA-N 1 0 308.400 4.251 20 30 DIEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)cc1 ZINC000500234578 340053628 /nfs/dbraw/zinc/05/36/28/340053628.db2.gz XFJUKZCIWRBOCD-IBGZPJMESA-N 1 0 308.400 4.213 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000500238940 340053863 /nfs/dbraw/zinc/05/38/63/340053863.db2.gz SGBOISDMLDKRIP-AWEZNQCLSA-N 1 0 312.438 4.010 20 30 DIEDRO C=CCc1cc(C[NH2+]CCCC2CCCC2)cc(OC)c1O ZINC000500271507 340054263 /nfs/dbraw/zinc/05/42/63/340054263.db2.gz XNUHTZIGEAAQHI-UHFFFAOYSA-N 1 0 303.446 4.189 20 30 DIEDRO CC(C)OC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000500371798 340055902 /nfs/dbraw/zinc/05/59/02/340055902.db2.gz MXYNNEFOZFPQCS-INIZCTEOSA-N 1 0 308.425 4.128 20 30 DIEDRO C[C@H]1C[C@@]1([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000500403498 340057128 /nfs/dbraw/zinc/05/71/28/340057128.db2.gz NGNGQJITPYXNMR-ZBEGNZNMSA-N 1 0 302.830 4.298 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000500568660 340062512 /nfs/dbraw/zinc/06/25/12/340062512.db2.gz PKUWSEVXQWFPEN-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO C[C@@H](C#N)C[N@H+](C[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000501027207 340072507 /nfs/dbraw/zinc/07/25/07/340072507.db2.gz FILBVVVTTDJJTF-QWHCGFSZSA-N 1 0 310.363 4.433 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000501236817 340076879 /nfs/dbraw/zinc/07/68/79/340076879.db2.gz HCNCAZIMFOZAFW-FQEVSTJZSA-N 1 0 318.420 4.219 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC2(C#N)CC2)C1 ZINC000501543159 340083256 /nfs/dbraw/zinc/08/32/56/340083256.db2.gz XENXHZZDTJGJEZ-WFASDCNBSA-N 1 0 308.347 4.392 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000501561831 340083712 /nfs/dbraw/zinc/08/37/12/340083712.db2.gz OAXMNWJKNGCAPE-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO C=CCCc1ccccc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000502321378 340099733 /nfs/dbraw/zinc/09/97/33/340099733.db2.gz NSVPYJGHTFNMMK-UHFFFAOYSA-N 1 0 321.468 4.277 20 30 DIEDRO C=CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000502445313 340103791 /nfs/dbraw/zinc/10/37/91/340103791.db2.gz LYCVSOACVGYGAZ-QGZVFWFLSA-N 1 0 308.425 4.010 20 30 DIEDRO CC[C@@H]1C[C@@]1([NH2+]Cc1ccc(CC#N)cc1)c1cccc(C)c1 ZINC000502512780 340106639 /nfs/dbraw/zinc/10/66/39/340106639.db2.gz SEHMRDZVUYUWDW-CTNGQTDRSA-N 1 0 304.437 4.476 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000502551291 340107543 /nfs/dbraw/zinc/10/75/43/340107543.db2.gz MXTGBDZRDKLXSH-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO C[C@@H]1C[C@@]1([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000503378606 340126827 /nfs/dbraw/zinc/12/68/27/340126827.db2.gz STAYAODMODSIFN-XIKOKIGWSA-N 1 0 314.791 4.376 20 30 DIEDRO C[C@H]1C[C@]1([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000503381063 340126888 /nfs/dbraw/zinc/12/68/88/340126888.db2.gz ZLPATRIVZPNHGN-IFXJQAMLSA-N 1 0 310.828 4.431 20 30 DIEDRO C=CCCCCC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503426786 340128006 /nfs/dbraw/zinc/12/80/06/340128006.db2.gz BMVRIHDPUDPZRK-KRWDZBQOSA-N 1 0 301.478 4.145 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503427672 340128020 /nfs/dbraw/zinc/12/80/20/340128020.db2.gz DYXBUSZJXALGLG-IAGOWNOFSA-N 1 0 301.478 4.144 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000503575878 340131306 /nfs/dbraw/zinc/13/13/06/340131306.db2.gz LBNAGICVYBUGBW-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccc(C#N)cc1 ZINC000503889648 340135951 /nfs/dbraw/zinc/13/59/51/340135951.db2.gz WKBAXFSTGUUCQV-BZUAXINKSA-N 1 0 308.372 4.149 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1)C1CC1 ZINC000503911072 340136545 /nfs/dbraw/zinc/13/65/45/340136545.db2.gz OAEUUBOBQGOSEO-JFIYKMOQSA-N 1 0 303.421 4.415 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1 ZINC000503932125 340137347 /nfs/dbraw/zinc/13/73/47/340137347.db2.gz TVNZBWVHSVNCBO-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(C#N)c(F)c1 ZINC000503946822 340138194 /nfs/dbraw/zinc/13/81/94/340138194.db2.gz KQKBHRYNRVAHHM-ZDUSSCGKSA-N 1 0 307.372 4.072 20 30 DIEDRO C=C(C[NH2+]Cc1c[nH]nc1-c1cccc(C)c1)c1ccccc1 ZINC000504034880 340139936 /nfs/dbraw/zinc/13/99/36/340139936.db2.gz OPYLDCPRGNLHAW-UHFFFAOYSA-N 1 0 303.409 4.188 20 30 DIEDRO N#CC1(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)CC1 ZINC000505464686 340169012 /nfs/dbraw/zinc/16/90/12/340169012.db2.gz NFDYWLCOYDVOJN-UHFFFAOYSA-N 1 0 308.347 4.368 20 30 DIEDRO CC1(C#N)CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000506030921 340183794 /nfs/dbraw/zinc/18/37/94/340183794.db2.gz JHLQUPHKLHALAH-UHFFFAOYSA-N 1 0 308.878 4.448 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000506259483 340190330 /nfs/dbraw/zinc/19/03/30/340190330.db2.gz QUMHEEMPRJGMMU-UHFFFAOYSA-N 1 0 321.420 4.246 20 30 DIEDRO CSc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000506629798 340198068 /nfs/dbraw/zinc/19/80/68/340198068.db2.gz GADYYIUCIZCRJV-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc(OC)c1O ZINC000507063931 340206313 /nfs/dbraw/zinc/20/63/13/340206313.db2.gz HOEKJIQVYLHAHQ-IBGZPJMESA-N 1 0 323.436 4.119 20 30 DIEDRO COc1ccsc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000507143376 340209367 /nfs/dbraw/zinc/20/93/67/340209367.db2.gz LRGZQDXYWMDKSH-UHFFFAOYSA-N 1 0 300.427 4.039 20 30 DIEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000507141417 340209494 /nfs/dbraw/zinc/20/94/94/340209494.db2.gz GCLCZHYUNDTFFO-GOSISDBHSA-N 1 0 300.446 4.380 20 30 DIEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000507188575 340212053 /nfs/dbraw/zinc/21/20/53/340212053.db2.gz QITNXGYPGLXVCS-IBGZPJMESA-N 1 0 322.456 4.084 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OC(F)(F)F)c1 ZINC000507227259 340214686 /nfs/dbraw/zinc/21/46/86/340214686.db2.gz DWHZHMHNPBOEBW-UHFFFAOYSA-N 1 0 320.314 4.089 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC000507246809 340215398 /nfs/dbraw/zinc/21/53/98/340215398.db2.gz KTLMAHOHUFHKAP-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)ccc1F ZINC000507319879 340217218 /nfs/dbraw/zinc/21/72/18/340217218.db2.gz RBZZZTDOBPJMQN-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO CC[N@H+](CCOc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507687224 340228244 /nfs/dbraw/zinc/22/82/44/340228244.db2.gz FRQJZJKJXCDXEV-KRWDZBQOSA-N 1 0 308.425 4.329 20 30 DIEDRO C[C@H](C[NH+]1CCC(C)(C#N)CC1)c1cccc(Br)c1 ZINC000507708134 340229046 /nfs/dbraw/zinc/22/90/46/340229046.db2.gz MBOLMHVLSXQOJY-CYBMUJFWSA-N 1 0 321.262 4.178 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2c[nH]nc2c1 ZINC000507728168 340229744 /nfs/dbraw/zinc/22/97/44/340229744.db2.gz WIWLHWXLRKPEQC-UHFFFAOYSA-N 1 0 318.424 4.093 20 30 DIEDRO CC[C@H]1C[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)CCO1 ZINC000507796756 340231891 /nfs/dbraw/zinc/23/18/91/340231891.db2.gz QGXZKILDXQKLOA-PMACEKPBSA-N 1 0 314.473 4.221 20 30 DIEDRO Cc1ccc(C)c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507819577 340233192 /nfs/dbraw/zinc/23/31/92/340233192.db2.gz VBPJNDYDYZNDDI-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO CCOc1ccc(C2=CC[N@H+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000507853650 340234129 /nfs/dbraw/zinc/23/41/29/340234129.db2.gz AOYGPDGSMNYQSW-UHFFFAOYSA-N 1 0 324.449 4.308 20 30 DIEDRO CC[N@H+](Cc1cc(F)cc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508622448 340248524 /nfs/dbraw/zinc/24/85/24/340248524.db2.gz XNAQAMHEMWTJNG-CYBMUJFWSA-N 1 0 300.352 4.420 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH]ccc21 ZINC000508660557 340249879 /nfs/dbraw/zinc/24/98/79/340249879.db2.gz HQKIUZJTGIEHPI-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000508664964 340249996 /nfs/dbraw/zinc/24/99/96/340249996.db2.gz KSHBZOARHXNSRJ-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000509006189 340257856 /nfs/dbraw/zinc/25/78/56/340257856.db2.gz IIOFYKQRBRFVMA-LLVKDONJSA-N 1 0 304.381 4.308 20 30 DIEDRO C=C(C)CC[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC000509374687 340267776 /nfs/dbraw/zinc/26/77/76/340267776.db2.gz SSYHUXFJBHDLRR-QQXKLLMISA-N 1 0 320.521 4.137 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCCCF)Cc2cccc(F)c2)cc1 ZINC000509385068 340267963 /nfs/dbraw/zinc/26/79/63/340267963.db2.gz GXGBFBUJNMMDQA-UHFFFAOYSA-N 1 0 314.379 4.449 20 30 DIEDRO C=C(C)CC[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000509701676 340277543 /nfs/dbraw/zinc/27/75/43/340277543.db2.gz XAOFNKRQJJAEMC-QGZVFWFLSA-N 1 0 318.848 4.054 20 30 DIEDRO CCN(Cc1cc(Br)ccc1Cl)C[C@@H](C)C#N ZINC000509767688 340278687 /nfs/dbraw/zinc/27/86/87/340278687.db2.gz VJZQABVPRJLFPJ-JTQLQIEISA-N 1 0 315.642 4.084 20 30 DIEDRO CCN(Cc1ccc(-c2c(F)cccc2F)o1)C[C@H](C)C#N ZINC000509766533 340278762 /nfs/dbraw/zinc/27/87/62/340278762.db2.gz LEKQLUGUISPQBM-GFCCVEGCSA-N 1 0 304.340 4.206 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000509796908 340279387 /nfs/dbraw/zinc/27/93/87/340279387.db2.gz DUFDAORHXBFKEZ-MOKGIYGOSA-N 1 0 320.436 4.459 20 30 DIEDRO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCCSCC#N ZINC000510251546 340294221 /nfs/dbraw/zinc/29/42/21/340294221.db2.gz CYUKKJCLFOYWOG-DOTOQJQBSA-N 1 0 318.486 4.115 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510483232 340300844 /nfs/dbraw/zinc/30/08/44/340300844.db2.gz SOLHHCTUENBNKG-HNNXBMFYSA-N 1 0 313.420 4.114 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000303150328 340306164 /nfs/dbraw/zinc/30/61/64/340306164.db2.gz FFYHZKUWJOEYTJ-HNNXBMFYSA-N 1 0 308.400 4.498 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511107638 340320897 /nfs/dbraw/zinc/32/08/97/340320897.db2.gz LELHDVNARGYCKD-UHFFFAOYSA-N 1 0 306.409 4.370 20 30 DIEDRO CC1CC[NH+](CCCCNc2ccc(Cl)cc2C#N)CC1 ZINC000511376133 340326140 /nfs/dbraw/zinc/32/61/40/340326140.db2.gz GAGPBMQLIHIUNW-UHFFFAOYSA-N 1 0 305.853 4.136 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(Cl)cc1 ZINC000512196274 340351914 /nfs/dbraw/zinc/35/19/14/340351914.db2.gz OXTGSXSAKLORFP-UHFFFAOYSA-N 1 0 305.805 4.004 20 30 DIEDRO C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1F ZINC000512293978 340355920 /nfs/dbraw/zinc/35/59/20/340355920.db2.gz HFRRPLFENRKULP-SNVBAGLBSA-N 1 0 322.305 4.008 20 30 DIEDRO C=C(C)C[N@H+](CCc1ccccc1Cl)Cc1ccc(CO)o1 ZINC000512434259 340361656 /nfs/dbraw/zinc/36/16/56/340361656.db2.gz VLQDBXDUYWVPRB-UHFFFAOYSA-N 1 0 319.832 4.046 20 30 DIEDRO CCC(CC)[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1F)OC ZINC000512614236 340369064 /nfs/dbraw/zinc/36/90/64/340369064.db2.gz VHEPZDRJJSKOGG-UGSOOPFHSA-N 1 0 306.425 4.189 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(C#N)cc1F ZINC000512620265 340369391 /nfs/dbraw/zinc/36/93/91/340369391.db2.gz PQDZZGICHZCWAR-CQSZACIVSA-N 1 0 319.383 4.139 20 30 DIEDRO C[C@H]([NH2+]CCc1cc2ccccc2o1)c1ccc(C#N)cc1F ZINC000512641166 340370485 /nfs/dbraw/zinc/37/04/85/340370485.db2.gz DSVNRTWUADZTJG-ZDUSSCGKSA-N 1 0 308.356 4.337 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641266 340370494 /nfs/dbraw/zinc/37/04/94/340370494.db2.gz FPYVKFUFWPFSQB-NEPJUHHUSA-N 1 0 318.342 4.430 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)C12CCCC2 ZINC000512642069 340370646 /nfs/dbraw/zinc/37/06/46/340370646.db2.gz MGTKCMUFRDRLOT-FSPWUOQZSA-N 1 0 316.420 4.086 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000512646668 340370720 /nfs/dbraw/zinc/37/07/20/340370720.db2.gz CCGANDMGKBYSTI-NQYLQCIDSA-N 1 0 324.399 4.126 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCC1)c1ccc(C#N)cc1F ZINC000512647646 340370731 /nfs/dbraw/zinc/37/07/31/340370731.db2.gz IZBXHWBVXOYBKA-OAHLLOKOSA-N 1 0 308.400 4.470 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000512646669 340370739 /nfs/dbraw/zinc/37/07/39/340370739.db2.gz CCGANDMGKBYSTI-VHFSOBRXSA-N 1 0 324.399 4.126 20 30 DIEDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000512648655 340370869 /nfs/dbraw/zinc/37/08/69/340370869.db2.gz ODQFPUAYDHWWIM-HNNXBMFYSA-N 1 0 318.436 4.335 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652776 340371127 /nfs/dbraw/zinc/37/11/27/340371127.db2.gz BJUXPAXPGMYBLT-DOTOQJQBSA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512655441 340371208 /nfs/dbraw/zinc/37/12/08/340371208.db2.gz UMEKCLLAJDURLN-KSSFIOAISA-N 1 0 311.404 4.449 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1F ZINC000512659588 340371630 /nfs/dbraw/zinc/37/16/30/340371630.db2.gz IIMFXDMEXBVQNO-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(C#N)CC1 ZINC000512689982 340373277 /nfs/dbraw/zinc/37/32/77/340373277.db2.gz KFFVPFVHQIOJJL-UHFFFAOYSA-N 1 0 306.409 4.098 20 30 DIEDRO CC(C)[C@@H](C[NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000513018430 340388801 /nfs/dbraw/zinc/38/88/01/340388801.db2.gz YOYYSHJKRIAADU-QGZVFWFLSA-N 1 0 302.805 4.334 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(OCCC)c2)cc1 ZINC000513060968 340391414 /nfs/dbraw/zinc/39/14/14/340391414.db2.gz FDEFHLBXWPIXSO-UHFFFAOYSA-N 1 0 311.425 4.330 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174846245 340397508 /nfs/dbraw/zinc/39/75/08/340397508.db2.gz TXVLOEKESFPDDX-IYBDPMFKSA-N 1 0 323.440 4.001 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc2n[nH]cc2c1 ZINC000513222095 340398047 /nfs/dbraw/zinc/39/80/47/340398047.db2.gz GEFURHYMJLCERV-CQSZACIVSA-N 1 0 318.424 4.215 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc2n[nH]cc2c1 ZINC000513222093 340398161 /nfs/dbraw/zinc/39/81/61/340398161.db2.gz GEFURHYMJLCERV-AWEZNQCLSA-N 1 0 318.424 4.215 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(Cc3ccccc3F)CC2)c1 ZINC000513488922 340410430 /nfs/dbraw/zinc/41/04/30/340410430.db2.gz CHOWEXXMOQGCNT-UHFFFAOYSA-N 1 0 314.429 4.214 20 30 DIEDRO C=C(C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1)c1ccccc1 ZINC000513505452 340411298 /nfs/dbraw/zinc/41/12/98/340411298.db2.gz KKGIWITXFFTINL-OAQYLSRUSA-N 1 0 307.437 4.319 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(Br)s1 ZINC000309858633 340433995 /nfs/dbraw/zinc/43/39/95/340433995.db2.gz LOHSWEFDVLWHMI-SECBINFHSA-N 1 0 301.253 4.101 20 30 DIEDRO N#CCCCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000178641727 340451135 /nfs/dbraw/zinc/45/11/35/340451135.db2.gz IZFHAIUVWRVTPI-OAHLLOKOSA-N 1 0 311.454 4.471 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000517034166 340462198 /nfs/dbraw/zinc/46/21/98/340462198.db2.gz ULWXAGDDPIQDAH-CYBMUJFWSA-N 1 0 321.380 4.195 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000183542416 340488239 /nfs/dbraw/zinc/48/82/39/340488239.db2.gz SNFSMJLNUHYTQA-AWEZNQCLSA-N 1 0 320.392 4.472 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000219184198 340502948 /nfs/dbraw/zinc/50/29/48/340502948.db2.gz KCSXTPCAJWXUQB-SNVBAGLBSA-N 1 0 318.255 4.158 20 30 DIEDRO C=CCC[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000186636044 340514979 /nfs/dbraw/zinc/51/49/79/340514979.db2.gz ROKDBEZLZPAIIL-HXUWFJFHSA-N 1 0 322.452 4.437 20 30 DIEDRO C=CC[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000186635917 340515056 /nfs/dbraw/zinc/51/50/56/340515056.db2.gz FSDFAWPSQXIXAN-LJQANCHMSA-N 1 0 308.425 4.047 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccnc(SCC)c2)c1 ZINC000189602845 340538336 /nfs/dbraw/zinc/53/83/36/340538336.db2.gz SVCCPYWCMFGLRA-UHFFFAOYSA-N 1 0 314.454 4.048 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000190336388 340544402 /nfs/dbraw/zinc/54/44/02/340544402.db2.gz RSQHWOQRGRETJN-UHFFFAOYSA-N 1 0 322.330 4.237 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229689425 340614801 /nfs/dbraw/zinc/61/48/01/340614801.db2.gz GIJGBILAKRISPT-MRVPVSSYSA-N 1 0 324.140 4.012 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000523731952 340636557 /nfs/dbraw/zinc/63/65/57/340636557.db2.gz ISDWKPKPBGGDJL-LJQANCHMSA-N 1 0 322.452 4.010 20 30 DIEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000537984203 340795573 /nfs/dbraw/zinc/79/55/73/340795573.db2.gz LRCRMSQTPDUMQI-WOJBJXKFSA-N 1 0 324.399 4.002 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(Br)s1)C1CC1 ZINC000125301518 340803430 /nfs/dbraw/zinc/80/34/30/340803430.db2.gz CGRRTYIPWYHFNB-GFCCVEGCSA-N 1 0 300.265 4.345 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)c1 ZINC000538125029 340810588 /nfs/dbraw/zinc/81/05/88/340810588.db2.gz AJOHXDQZEOERCG-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000538257152 340815254 /nfs/dbraw/zinc/81/52/54/340815254.db2.gz GWRIMQDIRSYOJG-HNNXBMFYSA-N 1 0 313.363 4.001 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000538264230 340815505 /nfs/dbraw/zinc/81/55/05/340815505.db2.gz HGSFXPTVJHLBNZ-SFHVURJKSA-N 1 0 312.438 4.130 20 30 DIEDRO N#CC1(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000538389639 340819868 /nfs/dbraw/zinc/81/98/68/340819868.db2.gz IZZAEYOLJRKUKH-UHFFFAOYSA-N 1 0 308.347 4.189 20 30 DIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000538407399 340821561 /nfs/dbraw/zinc/82/15/61/340821561.db2.gz YMIWGLDKLAAWOS-ZIAGYGMSSA-N 1 0 314.816 4.330 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000539071499 340870512 /nfs/dbraw/zinc/87/05/12/340870512.db2.gz QDRWWXOXQDHNNW-LSDHHAIUSA-N 1 0 303.450 4.176 20 30 DIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000539496133 340887537 /nfs/dbraw/zinc/88/75/37/340887537.db2.gz ILHMWXBWEGZMAS-RDTXWAMCSA-N 1 0 312.388 4.206 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000539499368 340887945 /nfs/dbraw/zinc/88/79/45/340887945.db2.gz PRAMLVKSTZLEAS-VHKYSDTDSA-N 1 0 324.399 4.268 20 30 DIEDRO CCC(CC)[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)OC ZINC000539610491 340892731 /nfs/dbraw/zinc/89/27/31/340892731.db2.gz YKJGKCSFGZZEIJ-UGSOOPFHSA-N 1 0 306.425 4.189 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cc(C#N)cs1)CC3 ZINC000539804628 340900530 /nfs/dbraw/zinc/90/05/30/340900530.db2.gz YKUOVSPKSUJSIB-CQSZACIVSA-N 1 0 321.449 4.057 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000540297965 340925621 /nfs/dbraw/zinc/92/56/21/340925621.db2.gz VSVVHNBAAYSPIS-MRXNPFEDSA-N 1 0 302.462 4.316 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000540604942 340938185 /nfs/dbraw/zinc/93/81/85/340938185.db2.gz DTDDQAXYWSQQJL-NJSLBKSFSA-N 1 0 312.388 4.124 20 30 DIEDRO CCCCCn1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000540606131 340938355 /nfs/dbraw/zinc/93/83/55/340938355.db2.gz CTGNXDWZRXOXBZ-HNNXBMFYSA-N 1 0 310.445 4.104 20 30 DIEDRO CCCCCn1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000540606136 340938358 /nfs/dbraw/zinc/93/83/58/340938358.db2.gz CTGNXDWZRXOXBZ-OAHLLOKOSA-N 1 0 310.445 4.104 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000540609663 340938739 /nfs/dbraw/zinc/93/87/39/340938739.db2.gz WIFWBPQPCBRNSA-TYILLQQXSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542012970 340993272 /nfs/dbraw/zinc/99/32/72/340993272.db2.gz APCCEMCOMMNARE-SJLPKXTDSA-N 1 0 320.436 4.302 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019349 340993455 /nfs/dbraw/zinc/99/34/55/340993455.db2.gz BRYIFCUGGQPAFF-MRXNPFEDSA-N 1 0 315.420 4.415 20 30 DIEDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211673 341000453 /nfs/dbraw/zinc/00/04/53/341000453.db2.gz KNWQJSZIXBYPHY-ZDUSSCGKSA-N 1 0 300.352 4.224 20 30 DIEDRO N#Cc1ccc(CN(Cc2ccc(F)cc2F)C2CC2)s1 ZINC000130126306 341000729 /nfs/dbraw/zinc/00/07/29/341000729.db2.gz NOWNLZQRALPLLB-UHFFFAOYSA-N 1 0 304.365 4.063 20 30 DIEDRO C=C(C)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000542518172 341011809 /nfs/dbraw/zinc/01/18/09/341011809.db2.gz OTSOLDGTPGQVAE-KRWDZBQOSA-N 1 0 308.416 4.046 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000130507171 341024250 /nfs/dbraw/zinc/02/42/50/341024250.db2.gz XMMAEHXWRVZHNO-HXUWFJFHSA-N 1 0 306.409 4.386 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000130507010 341024274 /nfs/dbraw/zinc/02/42/74/341024274.db2.gz XMMAEHXWRVZHNO-FQEVSTJZSA-N 1 0 306.409 4.386 20 30 DIEDRO COCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542943263 341026911 /nfs/dbraw/zinc/02/69/11/341026911.db2.gz HAESTLSONLUJRT-JKSUJKDBSA-N 1 0 308.425 4.301 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccccc2C#N)c1 ZINC000543175858 341035196 /nfs/dbraw/zinc/03/51/96/341035196.db2.gz JYQGWJJMUPJFRP-QRWLVFNGSA-N 1 0 306.409 4.150 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(OC(F)F)c1 ZINC000543182586 341035713 /nfs/dbraw/zinc/03/57/13/341035713.db2.gz VHRLXMGDJUCMFC-CYBMUJFWSA-N 1 0 316.351 4.205 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000543185234 341035827 /nfs/dbraw/zinc/03/58/27/341035827.db2.gz WIWRRBQKCPMVBL-HXUWFJFHSA-N 1 0 308.425 4.248 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1Cl ZINC000543228923 341037190 /nfs/dbraw/zinc/03/71/90/341037190.db2.gz GJIOOPFVUYMTNP-HUUCEWRRSA-N 1 0 323.864 4.200 20 30 DIEDRO C=CCC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000543560253 341049006 /nfs/dbraw/zinc/04/90/06/341049006.db2.gz XBRCTLZYHYHKJH-UHFFFAOYSA-N 1 0 303.450 4.442 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543632126 341052213 /nfs/dbraw/zinc/05/22/13/341052213.db2.gz MTDNVJRHVUUPPO-YEWWUXTCSA-N 1 0 324.871 4.416 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000130907519 341053685 /nfs/dbraw/zinc/05/36/85/341053685.db2.gz VMNLOVHMHXDLOJ-NSHDSACASA-N 1 0 304.315 4.169 20 30 DIEDRO C[C@@H](c1ccccc1Br)N(C)Cc1ccc(C#N)o1 ZINC000131014603 341056240 /nfs/dbraw/zinc/05/62/40/341056240.db2.gz PECJXKJVIAUCRW-NSHDSACASA-N 1 0 319.202 4.107 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2ccco2)cc1OC ZINC000131092916 341059437 /nfs/dbraw/zinc/05/94/37/341059437.db2.gz JDSARILSQOIXCS-CQSZACIVSA-N 1 0 301.386 4.046 20 30 DIEDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CC#N)CC1 ZINC000543811887 341060144 /nfs/dbraw/zinc/06/01/44/341060144.db2.gz XOUFUSWCOZCMRT-LBPRGKRZSA-N 1 0 312.335 4.272 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543915510 341063348 /nfs/dbraw/zinc/06/33/48/341063348.db2.gz AJTQAWMZSRHYFV-UONOGXRCSA-N 1 0 315.383 4.284 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000544117844 341070865 /nfs/dbraw/zinc/07/08/65/341070865.db2.gz PTAVNGUCFBTVIZ-XOBRGWDASA-N 1 0 324.399 4.289 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@H]1CCCO1 ZINC000544384105 341079581 /nfs/dbraw/zinc/07/95/81/341079581.db2.gz BGBGIQKYFKQVEY-GCKMJXCFSA-N 1 0 320.436 4.443 20 30 DIEDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cn1 ZINC000544470949 341083653 /nfs/dbraw/zinc/08/36/53/341083653.db2.gz OOPGWRXAYKOZPM-OAHLLOKOSA-N 1 0 310.445 4.116 20 30 DIEDRO CC(C)CC[C@@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000545242055 341116853 /nfs/dbraw/zinc/11/68/53/341116853.db2.gz NWPFNJCULPNENG-FAEJEUNOSA-N 1 0 315.461 4.058 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc2c(c1)CCCC2 ZINC000545506125 341127582 /nfs/dbraw/zinc/12/75/82/341127582.db2.gz KSFVAGPAHFPBKM-CQSZACIVSA-N 1 0 308.400 4.427 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000074314516 341143351 /nfs/dbraw/zinc/14/33/51/341143351.db2.gz RCWBFJYIVIMHND-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000545979312 341149381 /nfs/dbraw/zinc/14/93/81/341149381.db2.gz HMKAYNREHTZUJE-GOEBONIOSA-N 1 0 305.487 4.309 20 30 DIEDRO CCC[N@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(C#N)cc1 ZINC000132936286 341150056 /nfs/dbraw/zinc/15/00/56/341150056.db2.gz UGYCSVZZHJSAMO-UHFFFAOYSA-N 1 0 323.371 4.251 20 30 DIEDRO COc1ccc([C@H]2CCCCC[N@@H+]2CCCSCC#N)cc1 ZINC000074981067 341158694 /nfs/dbraw/zinc/15/86/94/341158694.db2.gz GVOPDHSONVOFPJ-GOSISDBHSA-N 1 0 318.486 4.259 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCSCC#N ZINC000074989665 341159181 /nfs/dbraw/zinc/15/91/81/341159181.db2.gz IEUHBXPVTLXJAU-ROUUACIJSA-N 1 0 302.487 4.291 20 30 DIEDRO CC(C)(C)c1cccc(OCC[NH2+]CC(C)(C)CCC#N)c1 ZINC000236818059 341202198 /nfs/dbraw/zinc/20/21/98/341202198.db2.gz AZUSVWDDCMHGBE-UHFFFAOYSA-N 1 0 302.462 4.282 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000547280682 341203550 /nfs/dbraw/zinc/20/35/50/341203550.db2.gz LKHVIQVINJYVQY-DYVFJYSZSA-N 1 0 303.837 4.107 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000134155314 341207904 /nfs/dbraw/zinc/20/79/04/341207904.db2.gz XRENTJNYQMCZHP-ZFWWWQNUSA-N 1 0 314.454 4.241 20 30 DIEDRO C=CCSCC[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000237323700 341211675 /nfs/dbraw/zinc/21/16/75/341211675.db2.gz VMSLYHPLQDUGOB-UHFFFAOYSA-N 1 0 313.466 4.371 20 30 DIEDRO CS[C@@H]1CCCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000134592477 341219253 /nfs/dbraw/zinc/21/92/53/341219253.db2.gz WNWLZLYLHOVSSW-MRXNPFEDSA-N 1 0 302.487 4.205 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OCCC ZINC000134748499 341223165 /nfs/dbraw/zinc/22/31/65/341223165.db2.gz GDMMQYADPMMWOC-GFCCVEGCSA-N 1 0 312.251 4.292 20 30 DIEDRO Cc1cccc2nc(C3CC[NH+](CCC(C)(C)C#N)CC3)oc21 ZINC000547750359 341230313 /nfs/dbraw/zinc/23/03/13/341230313.db2.gz MAKWAVMNKIZAIZ-UHFFFAOYSA-N 1 0 311.429 4.256 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(Br)c1 ZINC000135674795 341243785 /nfs/dbraw/zinc/24/37/85/341243785.db2.gz UMJYLBUPIAXPNT-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000548403549 341259145 /nfs/dbraw/zinc/25/91/45/341259145.db2.gz ICOJPOKFUYCNGZ-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000548488191 341263569 /nfs/dbraw/zinc/26/35/69/341263569.db2.gz YNRWPVCWHQATGA-NVXWUHKLSA-N 1 0 324.428 4.057 20 30 DIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000080206371 341270839 /nfs/dbraw/zinc/27/08/39/341270839.db2.gz QDJRRTHWLYYXNC-LJQANCHMSA-N 1 0 308.425 4.444 20 30 DIEDRO C[C@H](CC[NH2+][C@H](C)c1ccc(C#N)cc1)OCc1ccccc1 ZINC000548933422 341281626 /nfs/dbraw/zinc/28/16/26/341281626.db2.gz ULAXLOJFMAAJLG-IAGOWNOFSA-N 1 0 308.425 4.204 20 30 DIEDRO C=CCC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000549065427 341285152 /nfs/dbraw/zinc/28/51/52/341285152.db2.gz XEZNXVLTPDZSSV-UHFFFAOYSA-N 1 0 324.262 4.006 20 30 DIEDRO CSc1ccc(OCC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000549169495 341287757 /nfs/dbraw/zinc/28/77/57/341287757.db2.gz ZINNBYHYCCQRMR-CQSZACIVSA-N 1 0 312.438 4.010 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000549616168 341299086 /nfs/dbraw/zinc/29/90/86/341299086.db2.gz DDKZYGZECQXLLK-KNXALSJPSA-N 1 0 308.347 4.438 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000549709692 341301051 /nfs/dbraw/zinc/30/10/51/341301051.db2.gz NGPNRAVQYFITDE-DIOULYMOSA-N 1 0 324.346 4.318 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+]([C@H]3C=CCCCCC3)CC2)c1 ZINC000549805826 341303672 /nfs/dbraw/zinc/30/36/72/341303672.db2.gz RPXHVMWMBXVPOK-SFHVURJKSA-N 1 0 310.441 4.290 20 30 DIEDRO N#CCCOCC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000550075348 341309537 /nfs/dbraw/zinc/30/95/37/341309537.db2.gz YNMYRPPDXALBJH-QZTJIDSGSA-N 1 0 320.864 4.276 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cc(Br)c(OC)s1 ZINC000550226429 341312948 /nfs/dbraw/zinc/31/29/48/341312948.db2.gz ODCFOUUTGVLTJN-UHFFFAOYSA-N 1 0 318.280 4.211 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000550855979 341324598 /nfs/dbraw/zinc/32/45/98/341324598.db2.gz GJGSYZDRBANGSZ-IEBWSBKVSA-N 1 0 300.490 4.089 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cc(F)cc(Cl)c3)CC2)c1 ZINC000551228690 341334586 /nfs/dbraw/zinc/33/45/86/341334586.db2.gz ZWTDEGBUDGYJAI-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2ccccc2n1 ZINC000551558460 341345450 /nfs/dbraw/zinc/34/54/50/341345450.db2.gz RFBGJOZBYFFTTP-HNNXBMFYSA-N 1 0 313.404 4.446 20 30 DIEDRO C[C@@H](C[NH2+]Cc1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000551588449 341346580 /nfs/dbraw/zinc/34/65/80/341346580.db2.gz VZQHJQFYJQEKOO-ZETCQYMHSA-N 1 0 319.220 4.012 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000551705976 341349421 /nfs/dbraw/zinc/34/94/21/341349421.db2.gz QUMOVYGGRYBKRP-UHFFFAOYSA-N 1 0 316.326 4.356 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCCCC)cc1 ZINC000551778637 341351094 /nfs/dbraw/zinc/35/10/94/341351094.db2.gz LBTNZSOJPUKSIS-POAQFYNOSA-N 1 0 317.473 4.497 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccco1 ZINC000552032929 341363304 /nfs/dbraw/zinc/36/33/04/341363304.db2.gz CVOCUWTZTAQYEG-HKUYNNGSSA-N 1 0 310.441 4.403 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccco1 ZINC000552043697 341364421 /nfs/dbraw/zinc/36/44/21/341364421.db2.gz ZGZDWSIOZILEEC-CRAIPNDOSA-N 1 0 315.413 4.353 20 30 DIEDRO Cn1cc(C[NH2+]Cc2ccc(C3CCCCC3)cc2)cc1C#N ZINC000552060899 341366138 /nfs/dbraw/zinc/36/61/38/341366138.db2.gz OODWXRGHQCIWOZ-UHFFFAOYSA-N 1 0 307.441 4.234 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCO[C@@H]2CCCc3ccccc32)C1 ZINC000248724340 341385163 /nfs/dbraw/zinc/38/51/63/341385163.db2.gz CQCDATVMXDNPSC-IMFGXOCKSA-N 1 0 312.457 4.143 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000248880199 341389233 /nfs/dbraw/zinc/38/92/33/341389233.db2.gz KLOQMHNBMGXELS-UGFHNGPFSA-N 1 0 314.326 4.491 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000248880185 341389236 /nfs/dbraw/zinc/38/92/36/341389236.db2.gz KLOQMHNBMGXELS-BYCMXARLSA-N 1 0 314.326 4.491 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000248990049 341391421 /nfs/dbraw/zinc/39/14/21/341391421.db2.gz NCQHZQYDVSUGSF-YWPYICTPSA-N 1 0 307.235 4.182 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249204693 341395344 /nfs/dbraw/zinc/39/53/44/341395344.db2.gz VNNCXQPLFRIVQM-QLFBSQMISA-N 1 0 307.400 4.195 20 30 DIEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000249580105 341399506 /nfs/dbraw/zinc/39/95/06/341399506.db2.gz NATCBFHYKFBTPV-PJSAGSTRSA-N 1 0 313.832 4.037 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccnc2ccccc12 ZINC000552956857 341410541 /nfs/dbraw/zinc/41/05/41/341410541.db2.gz UZMLYCJDBHPPJJ-OAQYLSRUSA-N 1 0 313.404 4.274 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)C1CC1 ZINC000090657163 341418262 /nfs/dbraw/zinc/41/82/62/341418262.db2.gz XVKBXMNWAODFAH-RTBURBONSA-N 1 0 301.474 4.123 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000553304952 341424410 /nfs/dbraw/zinc/42/44/10/341424410.db2.gz ATSVUNFQAQXGHR-VLIAUNLRSA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 ZINC000554264919 341448020 /nfs/dbraw/zinc/44/80/20/341448020.db2.gz VFUGVEAWHZIYMJ-NSHDSACASA-N 1 0 300.324 4.176 20 30 DIEDRO C=CC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000093359284 341469320 /nfs/dbraw/zinc/46/93/20/341469320.db2.gz NEQHHOLWDWVSNL-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000554982556 341471420 /nfs/dbraw/zinc/47/14/20/341471420.db2.gz PDHSONLQIZKZOU-CWVNLOTRSA-N 1 0 324.399 4.050 20 30 DIEDRO C=CCCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000565755619 341537200 /nfs/dbraw/zinc/53/72/00/341537200.db2.gz MXTKBGIOXULIGU-UHFFFAOYSA-N 1 0 320.177 4.106 20 30 DIEDRO COc1cccc(C2(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)CC2)c1 ZINC000566670896 341564750 /nfs/dbraw/zinc/56/47/50/341564750.db2.gz GJUYQPOLNIIJBH-CQSZACIVSA-N 1 0 324.399 4.088 20 30 DIEDRO C=CCCC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000567371335 341599528 /nfs/dbraw/zinc/59/95/28/341599528.db2.gz SVGAYLLMJFEQTA-ROUUACIJSA-N 1 0 308.416 4.044 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)c1 ZINC000155811716 341613523 /nfs/dbraw/zinc/61/35/23/341613523.db2.gz HTGSFWNAHDJPDR-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000157035213 341630869 /nfs/dbraw/zinc/63/08/69/341630869.db2.gz VOBNBQYYPPGOIN-MRXNPFEDSA-N 1 0 316.489 4.165 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000567869245 341637848 /nfs/dbraw/zinc/63/78/48/341637848.db2.gz RLOSUXAKNWHTAF-LJQANCHMSA-N 1 0 316.514 4.026 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000568003470 341645138 /nfs/dbraw/zinc/64/51/38/341645138.db2.gz LLBNFXXKNXIHIB-UXHICEINSA-N 1 0 313.416 4.026 20 30 DIEDRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)CCCO2 ZINC000568748206 341680312 /nfs/dbraw/zinc/68/03/12/341680312.db2.gz BJQXRMOBLGDVLD-FQEVSTJZSA-N 1 0 320.436 4.373 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000568791728 341681819 /nfs/dbraw/zinc/68/18/19/341681819.db2.gz BLUBUFXFDQSSHJ-WDEREUQCSA-N 1 0 300.215 4.073 20 30 DIEDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000576813167 341864263 /nfs/dbraw/zinc/86/42/63/341864263.db2.gz MRKBSTGWMCLXAD-FOIQADDNSA-N 1 0 322.456 4.454 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C#N)s1 ZINC000176944315 341905835 /nfs/dbraw/zinc/90/58/35/341905835.db2.gz FFBYMSQPHHBZJG-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO N#Cc1csc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000177685327 341923873 /nfs/dbraw/zinc/92/38/73/341923873.db2.gz ZXJBLWZBMWNFHJ-UHFFFAOYSA-N 1 0 314.307 4.067 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000577665937 341928074 /nfs/dbraw/zinc/92/80/74/341928074.db2.gz KBUJNTUAVNUWFJ-SVIJTADQSA-N 1 0 324.399 4.050 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000178791477 341964901 /nfs/dbraw/zinc/96/49/01/341964901.db2.gz LDMKDZGGPMGARS-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000181578417 519821689 /nfs/dbraw/zinc/82/16/89/519821689.db2.gz PWDXZUZVZZTMLS-KUHUBIRLSA-N 1 0 318.424 4.482 20 30 DIEDRO CC1CC[NH+](CCc2cccc(NCc3ccc(C#N)o3)c2)CC1 ZINC000271274590 521017041 /nfs/dbraw/zinc/01/70/41/521017041.db2.gz PBEHIXOTLZQANM-UHFFFAOYSA-N 1 0 323.440 4.038 20 30 DIEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546143 522008410 /nfs/dbraw/zinc/00/84/10/522008410.db2.gz RNHLXMAPBJJPOZ-WMLDXEAASA-N 1 0 324.428 4.009 20 30 DIEDRO COC1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000183164495 522690038 /nfs/dbraw/zinc/69/00/38/522690038.db2.gz GYOYWVXMMQFDTC-UHFFFAOYSA-N 1 0 320.436 4.272 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccc(C#N)cc1 ZINC000337562369 522712850 /nfs/dbraw/zinc/71/28/50/522712850.db2.gz WKBAXFSTGUUCQV-ARFHVFGLSA-N 1 0 308.372 4.149 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccc(C#N)cc1 ZINC000365666634 525433603 /nfs/dbraw/zinc/43/36/03/525433603.db2.gz HVUSYHNGMCMJMR-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000174429649 525444656 /nfs/dbraw/zinc/44/46/56/525444656.db2.gz YVAXDCITRINXHI-INIZCTEOSA-N 1 0 305.425 4.009 20 30 DIEDRO C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1cccc(C#N)c1 ZINC000181486365 525471859 /nfs/dbraw/zinc/47/18/59/525471859.db2.gz ITGPLPYKGCSLGY-HNNXBMFYSA-N 1 0 321.424 4.125 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000181622831 525546204 /nfs/dbraw/zinc/54/62/04/525546204.db2.gz WDAZUMWUAROFIM-YSSFQJQWSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccc(C#N)cc1 ZINC000337405282 525558540 /nfs/dbraw/zinc/55/85/40/525558540.db2.gz SYOOTMWGUVNZQF-QKYXUNIQSA-N 1 0 305.425 4.330 20 30 DIEDRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000181430737 525626532 /nfs/dbraw/zinc/62/65/32/525626532.db2.gz RNSDFNXGZRKEAO-UTKZUKDTSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715775 526097130 /nfs/dbraw/zinc/09/71/30/526097130.db2.gz NYXUKJQSAKWZJM-MRXNPFEDSA-N 1 0 306.409 4.163 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CC#N)sc1Br ZINC000414158806 1040933762 /nfs/dbraw/zinc/93/37/62/1040933762.db2.gz ALJYJLVFXLYKAH-SNVBAGLBSA-N 1 0 315.280 4.410 20 30 DIEDRO C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001256229087 1062752318 /nfs/dbraw/zinc/75/23/18/1062752318.db2.gz LNAIZTPBTILANV-XJKSGUPXSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)s1 ZINC000035253678 1035644512 /nfs/dbraw/zinc/64/45/12/1035644512.db2.gz YCXUDFPHKSGIRD-LLVKDONJSA-N 1 0 306.818 4.155 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c(C)s1 ZINC000035253028 1035645416 /nfs/dbraw/zinc/64/54/16/1035645416.db2.gz FZENJUIYDYCFMT-CYBMUJFWSA-N 1 0 300.427 4.118 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC(F)(F)CO3)CC2)CC1 ZINC001208171247 1035706782 /nfs/dbraw/zinc/70/67/82/1035706782.db2.gz RGHNAJGJAMYNAM-MRXNPFEDSA-N 1 0 311.416 4.179 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000728197319 1035725333 /nfs/dbraw/zinc/72/53/33/1035725333.db2.gz VBNONNQLGHOHDA-LJQANCHMSA-N 1 0 315.457 4.284 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1c1ccccc1 ZINC000610216061 1035749381 /nfs/dbraw/zinc/74/93/81/1035749381.db2.gz HSNPSYBRRSJMBE-BEFAXECRSA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1c1ccccc1 ZINC000610216141 1035752874 /nfs/dbraw/zinc/75/28/74/1035752874.db2.gz OOFOINNVWMBWLE-KXBFYZLASA-N 1 0 308.400 4.323 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC001208860059 1035890414 /nfs/dbraw/zinc/89/04/14/1035890414.db2.gz GYCAVERFWJOVBT-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO COc1ccccc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000179588806 1035901108 /nfs/dbraw/zinc/90/11/08/1035901108.db2.gz LQFYYFUFBFEELV-UHFFFAOYSA-N 1 0 324.424 4.010 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc(C)c1F ZINC001143376539 1035974837 /nfs/dbraw/zinc/97/48/37/1035974837.db2.gz BTEUTQWHSJNJSS-UHFFFAOYSA-N 1 0 322.427 4.500 20 30 DIEDRO COc1ccc(C[NH2+]Cc2cccc(C#N)c2)c2ccccc12 ZINC000120618245 1035974882 /nfs/dbraw/zinc/97/48/82/1035974882.db2.gz CYZRIPXTMVYWCL-UHFFFAOYSA-N 1 0 302.377 4.010 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001209157466 1036037881 /nfs/dbraw/zinc/03/78/81/1036037881.db2.gz WINOWOVBNOVVCV-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCN1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180488723 1036064059 /nfs/dbraw/zinc/06/40/59/1036064059.db2.gz SGMXWYBCNGPMIF-UHFFFAOYSA-N 1 0 306.453 4.016 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001625833540 1036106547 /nfs/dbraw/zinc/10/65/47/1036106547.db2.gz NZOPMWRGEOLDJQ-CRYBKOLWSA-N 1 0 320.521 4.426 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@]1(C)CC1(Cl)Cl ZINC001167116944 1036110804 /nfs/dbraw/zinc/11/08/04/1036110804.db2.gz YWHYFHJHJBSIAR-OAHLLOKOSA-N 1 0 314.256 4.267 20 30 DIEDRO C=CCCCCC[NH+]1CCC(c2nc3ccccc3n2C)CC1 ZINC001209429115 1036169340 /nfs/dbraw/zinc/16/93/40/1036169340.db2.gz UQPZEYBGDQWFQI-UHFFFAOYSA-N 1 0 311.473 4.499 20 30 DIEDRO N#CCCN(Cc1ccc(Cl)cc1)c1[nH+]ccc2[nH]ccc21 ZINC001167135387 1036169395 /nfs/dbraw/zinc/16/93/95/1036169395.db2.gz QMAHUFJURKWHQN-UHFFFAOYSA-N 1 0 310.788 4.137 20 30 DIEDRO N#CCCN(Cc1ccc(Cl)cc1)c1cc2[nH]ccc2c[nH+]1 ZINC001167135295 1036170962 /nfs/dbraw/zinc/17/09/62/1036170962.db2.gz LXVKXDNXPPPUQI-UHFFFAOYSA-N 1 0 310.788 4.137 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209437950 1036179546 /nfs/dbraw/zinc/17/95/46/1036179546.db2.gz ABACMLICMALZSY-HUUCEWRRSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCCCC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001209442358 1036187984 /nfs/dbraw/zinc/18/79/84/1036187984.db2.gz GQULMEMUNIPNEL-OAHLLOKOSA-N 1 0 307.400 4.150 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001209443988 1036191854 /nfs/dbraw/zinc/19/18/54/1036191854.db2.gz JDGALYINBZALRY-UHFFFAOYSA-N 1 0 308.510 4.140 20 30 DIEDRO CCC[N@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC001167218873 1036283691 /nfs/dbraw/zinc/28/36/91/1036283691.db2.gz UXISYFOLADONTI-NHCUHLMSSA-N 1 0 322.452 4.455 20 30 DIEDRO CCC[N@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC001167219017 1036284646 /nfs/dbraw/zinc/28/46/46/1036284646.db2.gz UXISYFOLADONTI-SFTDATJTSA-N 1 0 322.452 4.455 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000754125643 1036285866 /nfs/dbraw/zinc/28/58/66/1036285866.db2.gz XTWZDAVDSQXDNQ-LAQFHYBYSA-N 1 0 306.837 4.157 20 30 DIEDRO CCCCCCCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC001167258535 1036335207 /nfs/dbraw/zinc/33/52/07/1036335207.db2.gz DAXXFQWNWGLYCW-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CC(C)(C)OC)cc1Cl ZINC000237138523 1036339824 /nfs/dbraw/zinc/33/98/24/1036339824.db2.gz HHIRPKUNIXNETI-ZDUSSCGKSA-N 1 0 311.853 4.198 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](OC)c1ccc(F)cc1 ZINC001167273652 1036354317 /nfs/dbraw/zinc/35/43/17/1036354317.db2.gz OBBXSTLINBVIHA-FQEVSTJZSA-N 1 0 313.416 4.244 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001167276555 1036358836 /nfs/dbraw/zinc/35/88/36/1036358836.db2.gz PEUCVULHASLDAS-INIZCTEOSA-N 1 0 310.482 4.064 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCCC)cc2)C1 ZINC001648802310 1036371374 /nfs/dbraw/zinc/37/13/74/1036371374.db2.gz GARIXWYQYAPAOT-LPHOPBHVSA-N 1 0 314.473 4.051 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000610271200 1036394663 /nfs/dbraw/zinc/39/46/63/1036394663.db2.gz KBMKUNYXWNGIDJ-FPOVZHCZSA-N 1 0 320.436 4.090 20 30 DIEDRO Cc1cc(Br)cc(C)c1C[NH2+]CC(C)(C)CCC#N ZINC000610270771 1036404785 /nfs/dbraw/zinc/40/47/85/1036404785.db2.gz NKYJCEVMTQXBNQ-UHFFFAOYSA-N 1 0 323.278 4.486 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000610271331 1036406783 /nfs/dbraw/zinc/40/67/83/1036406783.db2.gz CIWHSHMKEOHURW-GUDVDZBRSA-N 1 0 312.457 4.428 20 30 DIEDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000608860953 1036477619 /nfs/dbraw/zinc/47/76/19/1036477619.db2.gz AJHOGHSWXCETCS-HNNXBMFYSA-N 1 0 314.454 4.151 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000176972525 1036524787 /nfs/dbraw/zinc/52/47/87/1036524787.db2.gz SCOUJMDQWKZUBS-BZNIZROVSA-N 1 0 320.845 4.139 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC001648817091 1036578456 /nfs/dbraw/zinc/57/84/56/1036578456.db2.gz URGYISABLCNGCH-ZFWWWQNUSA-N 1 0 313.363 4.462 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(NC(=O)CCC)cc2)C1 ZINC001648817112 1036579425 /nfs/dbraw/zinc/57/94/25/1036579425.db2.gz VHMBAZCXFSXAJT-QAPCUYQASA-N 1 0 300.446 4.260 20 30 DIEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1csc(C#N)c1 ZINC001648822217 1036588114 /nfs/dbraw/zinc/58/81/14/1036588114.db2.gz XLDSHTQJQGDWMI-HNNXBMFYSA-N 1 0 300.427 4.325 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)Cc2ccccn2)cc1Cl ZINC000655843404 1036595673 /nfs/dbraw/zinc/59/56/73/1036595673.db2.gz JWSAMUHLHIBYJR-AWEZNQCLSA-N 1 0 316.832 4.021 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC001167315581 1036672281 /nfs/dbraw/zinc/67/22/81/1036672281.db2.gz XICAEZPIQIWODF-UHFFFAOYSA-N 1 0 310.526 4.317 20 30 DIEDRO COCC#CC[N@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC001167318390 1036678664 /nfs/dbraw/zinc/67/86/64/1036678664.db2.gz KGLGPQKXMDUILI-UHFFFAOYSA-N 1 0 307.437 4.234 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1OC(C)C ZINC000610345178 1036839851 /nfs/dbraw/zinc/83/98/51/1036839851.db2.gz XAXIYDNMGXWXMO-HNNXBMFYSA-N 1 0 324.424 4.205 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000177682081 1036854097 /nfs/dbraw/zinc/85/40/97/1036854097.db2.gz SACCIFGTKGYODW-QGZVFWFLSA-N 1 0 300.427 4.115 20 30 DIEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000610370705 1036914422 /nfs/dbraw/zinc/91/44/22/1036914422.db2.gz ARFBHJMPKILSHP-INIZCTEOSA-N 1 0 308.450 4.172 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000565495877 1036934086 /nfs/dbraw/zinc/93/40/86/1036934086.db2.gz SSKZDBZPSURYGD-OAHLLOKOSA-N 1 0 302.462 4.212 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610447705 1037205445 /nfs/dbraw/zinc/20/54/45/1037205445.db2.gz APBJTWYXVXAXJE-RTBURBONSA-N 1 0 314.473 4.416 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001167433965 1037293287 /nfs/dbraw/zinc/29/32/87/1037293287.db2.gz QBUNVPVNJAILAS-YJBOKZPZSA-N 1 0 311.375 4.194 20 30 DIEDRO C[N@H+](CCOc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000064951993 1037307584 /nfs/dbraw/zinc/30/75/84/1037307584.db2.gz SXVUQBRIDCIMIN-UHFFFAOYSA-N 1 0 316.404 4.222 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OC)cc1 ZINC000177856653 1037364734 /nfs/dbraw/zinc/36/47/34/1037364734.db2.gz OCKXCSNWBBMFEY-IBGZPJMESA-N 1 0 312.388 4.337 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000177861501 1037375156 /nfs/dbraw/zinc/37/51/56/1037375156.db2.gz HZISSPIEIOUKNY-CQSZACIVSA-N 1 0 312.388 4.337 20 30 DIEDRO N#CCC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000255912600 1037378510 /nfs/dbraw/zinc/37/85/10/1037378510.db2.gz XQLSMDXJZXLZGU-RLGIIYIFSA-N 1 0 321.380 4.243 20 30 DIEDRO Cc1ccccc1C[N@H+](CCC(C)(C)C#N)Cc1ccccn1 ZINC000581073628 1037424386 /nfs/dbraw/zinc/42/43/86/1037424386.db2.gz IIJQRHLWUJJSEE-UHFFFAOYSA-N 1 0 307.441 4.332 20 30 DIEDRO CC(C)c1ccc([C@@H]2CCCN2Cc2nc(C#N)cs2)cc1 ZINC000581183785 1037465135 /nfs/dbraw/zinc/46/51/35/1037465135.db2.gz QYHPCYRSHBQWFG-KRWDZBQOSA-N 1 0 311.454 4.475 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCS2 ZINC000276096403 1037512716 /nfs/dbraw/zinc/51/27/16/1037512716.db2.gz DSWXIJYQQRSZEK-SCLBCKFNSA-N 1 0 324.449 4.455 20 30 DIEDRO C=CCCCC[N@@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC001167461876 1037636955 /nfs/dbraw/zinc/63/69/55/1037636955.db2.gz UPJGIKBUSGQQFJ-HXUWFJFHSA-N 1 0 301.474 4.375 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC001167464356 1037653621 /nfs/dbraw/zinc/65/36/21/1037653621.db2.gz JYZAJEZTIJXWAC-APWZRJJASA-N 1 0 320.436 4.253 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)c1C ZINC001167464687 1037664274 /nfs/dbraw/zinc/66/42/74/1037664274.db2.gz PAZMCMPKVOUZCY-FQEVSTJZSA-N 1 0 320.436 4.391 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cnn1C(C)(C)C ZINC000276328198 1037708360 /nfs/dbraw/zinc/70/83/60/1037708360.db2.gz IECYJSWXIVXVKA-ZIAGYGMSSA-N 1 0 310.445 4.230 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000610511636 1037770325 /nfs/dbraw/zinc/77/03/25/1037770325.db2.gz ULEYEGMCCZAJNZ-MFKMUULPSA-N 1 0 302.365 4.078 20 30 DIEDRO CC[N@H+](CCCOc1cccc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000477287362 1037885124 /nfs/dbraw/zinc/88/51/24/1037885124.db2.gz ZPIUKQKQGCXYGW-INIZCTEOSA-N 1 0 324.424 4.116 20 30 DIEDRO COc1ccccc1[C@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001167478586 1037914576 /nfs/dbraw/zinc/91/45/76/1037914576.db2.gz UCXMWKXDJLHLDV-SFHVURJKSA-N 1 0 320.436 4.173 20 30 DIEDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001167478585 1037916045 /nfs/dbraw/zinc/91/60/45/1037916045.db2.gz UCXMWKXDJLHLDV-GOSISDBHSA-N 1 0 320.436 4.173 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000341369474 1037928532 /nfs/dbraw/zinc/92/85/32/1037928532.db2.gz ZXEVCRZJIFNIJZ-KRWDZBQOSA-N 1 0 308.416 4.013 20 30 DIEDRO CC[C@H]1CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078573935 1037931626 /nfs/dbraw/zinc/93/16/26/1037931626.db2.gz OCTSUEIFRKLQBL-INIZCTEOSA-N 1 0 323.440 4.002 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001625871312 1037934930 /nfs/dbraw/zinc/93/49/30/1037934930.db2.gz KGKYUVUQXUDVRU-YPKPFQOOSA-N 1 0 308.510 4.236 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000285462493 1037953599 /nfs/dbraw/zinc/95/35/99/1037953599.db2.gz APSGZSHNIFZHOL-PKOBYXMFSA-N 1 0 312.457 4.170 20 30 DIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602438063 1038006587 /nfs/dbraw/zinc/00/65/87/1038006587.db2.gz GWMGAGHRYHQIFI-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO CC[N@H+]([C@H](C)c1ccc(C#N)cc1)[C@H](C)c1cnc(C)nc1C ZINC000602442951 1038009234 /nfs/dbraw/zinc/00/92/34/1038009234.db2.gz CYYDKXDDXFTMGB-HUUCEWRRSA-N 1 0 308.429 4.109 20 30 DIEDRO CC[N@H+](Cc1ccc2nccnc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444469 1038009755 /nfs/dbraw/zinc/00/97/55/1038009755.db2.gz NJKQUEGZPMLXBE-OAHLLOKOSA-N 1 0 316.408 4.085 20 30 DIEDRO C[C@@H](CCC#N)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000602456149 1038010686 /nfs/dbraw/zinc/01/06/86/1038010686.db2.gz VFJPRNPIHWBRDN-INIZCTEOSA-N 1 0 311.429 4.146 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000602520510 1038023904 /nfs/dbraw/zinc/02/39/04/1038023904.db2.gz HDBIPWYBMQTUHH-OLZOCXBDSA-N 1 0 314.351 4.218 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602517645 1038024437 /nfs/dbraw/zinc/02/44/37/1038024437.db2.gz IDOISRHFZATELX-IPJUCJBFSA-N 1 0 314.473 4.467 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000602514582 1038024464 /nfs/dbraw/zinc/02/44/64/1038024464.db2.gz LFEFTMWPVZUWAQ-UHFFFAOYSA-N 1 0 300.299 4.016 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]C2CCC(C#N)CC2)cc1OC ZINC000602515520 1038026030 /nfs/dbraw/zinc/02/60/30/1038026030.db2.gz XKVDIURSOJARNN-HPUBIQBYSA-N 1 0 316.445 4.217 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000559153805 1038026319 /nfs/dbraw/zinc/02/63/19/1038026319.db2.gz LEFIOUKTVXHADF-HZPDHXFCSA-N 1 0 302.368 4.136 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(C#N)CC2)cc1OCC ZINC000602512186 1038030176 /nfs/dbraw/zinc/03/01/76/1038030176.db2.gz XPTXHWGVGSLSDS-UQPPLGOBSA-N 1 0 316.445 4.217 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CCC#N)cc1OCC ZINC000602511228 1038030315 /nfs/dbraw/zinc/03/03/15/1038030315.db2.gz UJKNFSMXQYEFPF-CABCVRRESA-N 1 0 304.434 4.074 20 30 DIEDRO N#CC1CCC([NH2+]CCOc2ccccc2-c2ccccc2)CC1 ZINC000602523705 1038033970 /nfs/dbraw/zinc/03/39/70/1038033970.db2.gz GPYNOEWVMPLQKL-UHFFFAOYSA-N 1 0 320.436 4.404 20 30 DIEDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]C2CCC(C#N)CC2)ccn1 ZINC000602547901 1038035457 /nfs/dbraw/zinc/03/54/57/1038035457.db2.gz ULJGOVJURLNUFP-KLHKWILBSA-N 1 0 315.461 4.067 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000602560995 1038037489 /nfs/dbraw/zinc/03/74/89/1038037489.db2.gz PFOOSHJNDJWCRV-UWVGGRQHSA-N 1 0 305.369 4.142 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000178178300 1038038842 /nfs/dbraw/zinc/03/88/42/1038038842.db2.gz CKUBUGQOXKARRC-UONOGXRCSA-N 1 0 310.445 4.230 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000602569221 1038039846 /nfs/dbraw/zinc/03/98/46/1038039846.db2.gz PLKCASYWCBBGEZ-TUBUQKNSSA-N 1 0 316.420 4.347 20 30 DIEDRO COc1ccccc1[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccco1 ZINC000602587516 1038046550 /nfs/dbraw/zinc/04/65/50/1038046550.db2.gz IQWJKRDXQUDLOS-JFIBYHEFSA-N 1 0 310.397 4.050 20 30 DIEDRO N#CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000602579645 1038046982 /nfs/dbraw/zinc/04/69/82/1038046982.db2.gz COLYITFDDJWIKA-RXVVDRJESA-N 1 0 319.452 4.148 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)c1ccccc1Br ZINC000602578450 1038047037 /nfs/dbraw/zinc/04/70/37/1038047037.db2.gz UVZAHTBDBACPPO-GFCCVEGCSA-N 1 0 309.251 4.214 20 30 DIEDRO N#CC1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000602580821 1038048378 /nfs/dbraw/zinc/04/83/78/1038048378.db2.gz HYGMCNFCJDPKNK-SEEARECTSA-N 1 0 304.821 4.226 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000602615097 1038050669 /nfs/dbraw/zinc/05/06/69/1038050669.db2.gz HEVYGJLNOPPXKL-INIZCTEOSA-N 1 0 304.478 4.202 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000602652354 1038055951 /nfs/dbraw/zinc/05/59/51/1038055951.db2.gz XPDZNJSSPMRRES-KBXCAEBGSA-N 1 0 306.400 4.488 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000602651196 1038056154 /nfs/dbraw/zinc/05/61/54/1038056154.db2.gz RDRODDOKINNSKK-RDTXWAMCSA-N 1 0 320.864 4.337 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000602629344 1038057843 /nfs/dbraw/zinc/05/78/43/1038057843.db2.gz MXXDFNQLMLODPD-CYBMUJFWSA-N 1 0 310.363 4.266 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000602721578 1038077572 /nfs/dbraw/zinc/07/75/72/1038077572.db2.gz UUZTZLVYZJZIFL-OKEUPSHZSA-N 1 0 321.262 4.382 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000153017036 1038061960 /nfs/dbraw/zinc/06/19/60/1038061960.db2.gz FTWQHCMPAXOEPN-QGZVFWFLSA-N 1 0 316.489 4.165 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000602653712 1038062094 /nfs/dbraw/zinc/06/20/94/1038062094.db2.gz ODZHLIJRJDEZLB-LBPRGKRZSA-N 1 0 319.861 4.493 20 30 DIEDRO N#CC1CCC([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000602689824 1038067009 /nfs/dbraw/zinc/06/70/09/1038067009.db2.gz DMNWWPSBHUPSQN-UHFFFAOYSA-N 1 0 302.849 4.335 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000602691882 1038067659 /nfs/dbraw/zinc/06/76/59/1038067659.db2.gz VDDRKNGEXCBMEV-HOCLYGCPSA-N 1 0 311.816 4.033 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000602690184 1038067872 /nfs/dbraw/zinc/06/78/72/1038067872.db2.gz IXVPXDFBVPICLR-CYBMUJFWSA-N 1 0 310.363 4.120 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]C2CCC(C#N)CC2)c2cc(F)ccc2O1 ZINC000602698331 1038069586 /nfs/dbraw/zinc/06/95/86/1038069586.db2.gz JRTBOXAZLMQNDS-LDZOIKDWSA-N 1 0 302.393 4.100 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602680603 1038069987 /nfs/dbraw/zinc/06/99/87/1038069987.db2.gz PTTIPWYXSVCDIQ-MCNSAMFCSA-N 1 0 323.484 4.026 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(Br)c1Cl ZINC000602698493 1038070551 /nfs/dbraw/zinc/07/05/51/1038070551.db2.gz VSBQKVGFNUZAPQ-SNVBAGLBSA-N 1 0 315.642 4.132 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602680611 1038071214 /nfs/dbraw/zinc/07/12/14/1038071214.db2.gz PTTIPWYXSVCDIQ-XFIJJGBISA-N 1 0 323.484 4.026 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000602701451 1038072811 /nfs/dbraw/zinc/07/28/11/1038072811.db2.gz SYPWAZLULPCBMC-OCCSQVGLSA-N 1 0 315.848 4.208 20 30 DIEDRO Cn1c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc2ccccc21 ZINC000602708364 1038076474 /nfs/dbraw/zinc/07/64/74/1038076474.db2.gz GHEFYDCAEMBXIZ-UHFFFAOYSA-N 1 0 315.420 4.219 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000602797978 1038087611 /nfs/dbraw/zinc/08/76/11/1038087611.db2.gz DXBDIJMXSXPKCQ-INIZCTEOSA-N 1 0 321.424 4.005 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1CCOC2 ZINC000602766766 1038088763 /nfs/dbraw/zinc/08/87/63/1038088763.db2.gz BPHWNIBNTTUXKZ-UHFFFAOYSA-N 1 0 320.436 4.042 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)ccc1OCC(C)C ZINC000602802959 1038089093 /nfs/dbraw/zinc/08/90/93/1038089093.db2.gz STYSDRRKAVJWJK-HNNXBMFYSA-N 1 0 316.445 4.074 20 30 DIEDRO C[C@@H](c1ccccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911145 1038106444 /nfs/dbraw/zinc/10/64/44/1038106444.db2.gz XLXOGAGQEAZIAW-AWEZNQCLSA-N 1 0 309.388 4.033 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000602949210 1038116257 /nfs/dbraw/zinc/11/62/57/1038116257.db2.gz VXIWKUNVAGDPPB-UHFFFAOYSA-N 1 0 318.436 4.389 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC000598600850 1038125719 /nfs/dbraw/zinc/12/57/19/1038125719.db2.gz GQAMBDXLRCPVIT-RTBURBONSA-N 1 0 314.473 4.198 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001168413548 1038126131 /nfs/dbraw/zinc/12/61/31/1038126131.db2.gz KOJMOQHSSIIXBX-NRFANRHFSA-N 1 0 312.501 4.479 20 30 DIEDRO CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598593781 1038129084 /nfs/dbraw/zinc/12/90/84/1038129084.db2.gz WAEZEEJZZPKIAC-NVXWUHKLSA-N 1 0 318.461 4.060 20 30 DIEDRO CCCC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1ccc(C)o1 ZINC000598590587 1038129499 /nfs/dbraw/zinc/12/94/99/1038129499.db2.gz PGJPKWWKCSLZRF-HOTGVXAUSA-N 1 0 306.450 4.052 20 30 DIEDRO CCCC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000598587972 1038130076 /nfs/dbraw/zinc/13/00/76/1038130076.db2.gz YFEZAHHMGSBEQD-AEFFLSMTSA-N 1 0 302.462 4.150 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000598587976 1038130301 /nfs/dbraw/zinc/13/03/01/1038130301.db2.gz YGNGBLKGMQHJTQ-FXAWDEMLSA-N 1 0 322.452 4.277 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598599824 1038133028 /nfs/dbraw/zinc/13/30/28/1038133028.db2.gz FYJMUFPQQMFBPA-QZTJIDSGSA-N 1 0 302.462 4.054 20 30 DIEDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598598395 1038133063 /nfs/dbraw/zinc/13/30/63/1038133063.db2.gz FBOJXGZYINKQAT-OALUTQOASA-N 1 0 314.473 4.248 20 30 DIEDRO CCN(Cc1nc2cccnc2s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000341592284 1038159644 /nfs/dbraw/zinc/15/96/44/1038159644.db2.gz YAPQERBATZFOKJ-ZDUSSCGKSA-N 1 0 322.437 4.146 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H](O)CC(C)(C)C#N)ccc1-c1ccccc1 ZINC000598723456 1038159494 /nfs/dbraw/zinc/15/94/94/1038159494.db2.gz HZZVOMINLMPRAP-LJQANCHMSA-N 1 0 322.452 4.052 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2csc3ccccc23)cc1 ZINC000061048691 1038182869 /nfs/dbraw/zinc/18/28/69/1038182869.db2.gz AMKJUJXVHLNVBH-UHFFFAOYSA-N 1 0 308.406 4.093 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)cc1 ZINC000061079294 1038197317 /nfs/dbraw/zinc/19/73/17/1038197317.db2.gz IJEGZPHQDCNHTR-UHFFFAOYSA-N 1 0 322.742 4.103 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276787929 1038212475 /nfs/dbraw/zinc/21/24/75/1038212475.db2.gz RZWAXDWAMKNMHW-KBPBESRZSA-N 1 0 315.417 4.141 20 30 DIEDRO N#Cc1csc(C[NH2+]Cc2ccccc2CC(F)(F)F)c1 ZINC000599014584 1038218016 /nfs/dbraw/zinc/21/80/16/1038218016.db2.gz CMXUIZLGMABXOS-UHFFFAOYSA-N 1 0 310.344 4.014 20 30 DIEDRO Cc1ccc(Br)cc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000599046451 1038223608 /nfs/dbraw/zinc/22/36/08/1038223608.db2.gz PVQOXZXSRFBCJJ-LBPRGKRZSA-N 1 0 307.235 4.102 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341682973 1038224548 /nfs/dbraw/zinc/22/45/48/1038224548.db2.gz KLXBRULJBXSZSJ-BFUOFWGJSA-N 1 0 324.399 4.434 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2F ZINC000341700036 1038234374 /nfs/dbraw/zinc/23/43/74/1038234374.db2.gz SPDPOJVNKRXVLY-PMACEKPBSA-N 1 0 306.384 4.352 20 30 DIEDRO C=CCc1cc(C[NH2+]C(C)(C)c2ccccc2)cc(OC)c1O ZINC000603511750 1038235419 /nfs/dbraw/zinc/23/54/19/1038235419.db2.gz VSFYWDBTVYPSJO-UHFFFAOYSA-N 1 0 311.425 4.154 20 30 DIEDRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000341706811 1038237575 /nfs/dbraw/zinc/23/75/75/1038237575.db2.gz IEWLIKWLVDTSEG-KUHUBIRLSA-N 1 0 308.429 4.064 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)ccc1C#N ZINC000593674045 1038238194 /nfs/dbraw/zinc/23/81/94/1038238194.db2.gz MIRVCXLHPNLPTB-GOSISDBHSA-N 1 0 324.399 4.398 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000341724530 1038249412 /nfs/dbraw/zinc/24/94/12/1038249412.db2.gz XWLLLLZHINOLGA-UHFFFAOYSA-N 1 0 308.372 4.037 20 30 DIEDRO N#Cc1csc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593697879 1038252188 /nfs/dbraw/zinc/25/21/88/1038252188.db2.gz OTOXJDFNWSAVNG-FHWLQOOXSA-N 1 0 324.449 4.114 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000341756049 1038261454 /nfs/dbraw/zinc/26/14/54/1038261454.db2.gz BSPIOOTVLLDMMM-FZKQIMNGSA-N 1 0 320.392 4.015 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000593716684 1038262107 /nfs/dbraw/zinc/26/21/07/1038262107.db2.gz QNAUOIQTXFYTLK-RTWAWAEBSA-N 1 0 324.468 4.121 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C)c(C#N)c1)CCC2 ZINC000599327815 1038268145 /nfs/dbraw/zinc/26/81/45/1038268145.db2.gz LTZAYEOFPSSLOE-KRWDZBQOSA-N 1 0 311.454 4.141 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000761335243 1038269065 /nfs/dbraw/zinc/26/90/65/1038269065.db2.gz PPPIZCDNARUUEI-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO CC(C)c1ccc([C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C(C)C)cc1 ZINC000599345682 1038270284 /nfs/dbraw/zinc/27/02/84/1038270284.db2.gz UXPDURNHOXHJOZ-RBUKOAKNSA-N 1 0 314.473 4.151 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1C#N ZINC000599347310 1038271591 /nfs/dbraw/zinc/27/15/91/1038271591.db2.gz GMDQYVAUSQJTDU-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO CC1(C)CCC(C)(C)[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000599538869 1038311122 /nfs/dbraw/zinc/31/11/22/1038311122.db2.gz VFLSKDDKYSDTOU-UHFFFAOYSA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccncc1F ZINC000338019878 1038323575 /nfs/dbraw/zinc/32/35/75/1038323575.db2.gz NULLARSKSVTZQK-ORAYPTAESA-N 1 0 309.388 4.211 20 30 DIEDRO COc1ccc([C@@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)cc1F ZINC000599679328 1038336018 /nfs/dbraw/zinc/33/60/18/1038336018.db2.gz MYDZEDTZRRRQQJ-MRXNPFEDSA-N 1 0 318.436 4.344 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(C#N)c(F)c1 ZINC000276995537 1038348093 /nfs/dbraw/zinc/34/80/93/1038348093.db2.gz YKALIMDPZRNBJJ-GTNSWQLSSA-N 1 0 314.335 4.011 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc2c(s1)CCCC2 ZINC000610812441 1038357181 /nfs/dbraw/zinc/35/71/81/1038357181.db2.gz AQIMZXKVGYRMIF-GFCCVEGCSA-N 1 0 314.429 4.488 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1cccc(C#N)c1 ZINC000610830393 1038372984 /nfs/dbraw/zinc/37/29/84/1038372984.db2.gz PYYOYZNBXVVSPO-JKSUJKDBSA-N 1 0 316.408 4.156 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610830459 1038373320 /nfs/dbraw/zinc/37/33/20/1038373320.db2.gz VMSNCUQGDMAVCS-OAGGEKHMSA-N 1 0 308.425 4.410 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3cccc(Cl)c3)C2)c(F)c1 ZINC000610946962 1038405812 /nfs/dbraw/zinc/40/58/12/1038405812.db2.gz YBVZLJYZVJDJBQ-UHFFFAOYSA-N 1 0 314.791 4.387 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000604417131 1038413849 /nfs/dbraw/zinc/41/38/49/1038413849.db2.gz GQNVDAKRYQIZNV-LJQANCHMSA-N 1 0 322.452 4.010 20 30 DIEDRO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610991382 1038419726 /nfs/dbraw/zinc/41/97/26/1038419726.db2.gz BOCCPUQWVSMRQO-HXUWFJFHSA-N 1 0 321.424 4.079 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccco2)C2CCCC2)cc1C#N ZINC000610991798 1038419796 /nfs/dbraw/zinc/41/97/96/1038419796.db2.gz KGKXUUNJRVXHNA-UHFFFAOYSA-N 1 0 310.397 4.105 20 30 DIEDRO COCc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000610993668 1038421940 /nfs/dbraw/zinc/42/19/40/1038421940.db2.gz AEYZJVQLKRNEOY-SFTDATJTSA-N 1 0 320.436 4.105 20 30 DIEDRO CCOc1ccc(CCC2CC[NH+](CCCCC#N)CC2)cc1 ZINC000604538782 1038425497 /nfs/dbraw/zinc/42/54/97/1038425497.db2.gz FREBDVHLWODEHT-UHFFFAOYSA-N 1 0 314.473 4.424 20 30 DIEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610993983 1038425699 /nfs/dbraw/zinc/42/56/99/1038425699.db2.gz PNVPAIPWKXNTKL-ZIAGYGMSSA-N 1 0 313.832 4.231 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccnc(C#N)c1)CC1CCC1 ZINC000610993197 1038426020 /nfs/dbraw/zinc/42/60/20/1038426020.db2.gz GSVCYDWIRYYBBG-INIZCTEOSA-N 1 0 305.425 4.317 20 30 DIEDRO C=CCc1cc(C[NH2+]C2(C)CCC(C)CC2)cc(OC)c1O ZINC000604763642 1038448983 /nfs/dbraw/zinc/44/89/83/1038448983.db2.gz FKATXTNBGDIRJT-UHFFFAOYSA-N 1 0 303.446 4.188 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000187702330 1038457768 /nfs/dbraw/zinc/45/77/68/1038457768.db2.gz XMZJCXKIAFTHLC-PXNSSMCTSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000604892830 1038462831 /nfs/dbraw/zinc/46/28/31/1038462831.db2.gz DFYVMQLCIKIUHS-CYBMUJFWSA-N 1 0 317.864 4.256 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000538391093 1038467510 /nfs/dbraw/zinc/46/75/10/1038467510.db2.gz JAHCMADJKMKJIG-HXUWFJFHSA-N 1 0 306.409 4.068 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538507575 1038477509 /nfs/dbraw/zinc/47/75/09/1038477509.db2.gz NZKNXUQWISLPEI-SGTLLEGYSA-N 1 0 310.372 4.044 20 30 DIEDRO C=CCCC[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000605150397 1038493409 /nfs/dbraw/zinc/49/34/09/1038493409.db2.gz UJROUSXMXLUCLR-QGZVFWFLSA-N 1 0 318.848 4.054 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000605150333 1038493756 /nfs/dbraw/zinc/49/37/56/1038493756.db2.gz JEHDZJBIQAEDCT-GOSISDBHSA-N 1 0 317.473 4.457 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCc2csc(-c3ccccc3)n2)c1 ZINC000104158706 1038516544 /nfs/dbraw/zinc/51/65/44/1038516544.db2.gz NLZUMVWANCNIKI-UHFFFAOYSA-N 1 0 322.437 4.045 20 30 DIEDRO Cc1ccc(-c2ncc(C[NH2+]CC(C)(C)CCC#N)s2)o1 ZINC000342306091 1038525163 /nfs/dbraw/zinc/52/51/63/1038525163.db2.gz QGPVKDVNWGDWFD-UHFFFAOYSA-N 1 0 303.431 4.131 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001167516323 1038543172 /nfs/dbraw/zinc/54/31/72/1038543172.db2.gz DRGFFEPEDCLOQO-NRFANRHFSA-N 1 0 309.428 4.439 20 30 DIEDRO CC1(C)CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC001167529817 1038551075 /nfs/dbraw/zinc/55/10/75/1038551075.db2.gz SBFLSPBWBZZOIZ-UHFFFAOYSA-N 1 0 321.262 4.333 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC001167533611 1038553147 /nfs/dbraw/zinc/55/31/47/1038553147.db2.gz HWIWACOGTHZQEZ-LIRRHRJNSA-N 1 0 324.399 4.289 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000934288020 1038578525 /nfs/dbraw/zinc/57/85/25/1038578525.db2.gz IHMQUQQWCFAOMI-GOSISDBHSA-N 1 0 311.404 4.278 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]Cc1ccc(C#N)cc1C)C(C)(C)C ZINC000934287600 1038578921 /nfs/dbraw/zinc/57/89/21/1038578921.db2.gz FITJSDFCSPQPTF-IBGZPJMESA-N 1 0 307.441 4.447 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)nc1 ZINC000593976724 1038600614 /nfs/dbraw/zinc/60/06/14/1038600614.db2.gz YJROPERSXLDGJC-PWRODBHTSA-N 1 0 317.436 4.111 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2/C=C/c2cccs2)nc1 ZINC000593977754 1038600989 /nfs/dbraw/zinc/60/09/89/1038600989.db2.gz VCXBCLSAWLNXBU-BBVFFXRHSA-N 1 0 323.465 4.473 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)ccc1F ZINC000119953670 1038604358 /nfs/dbraw/zinc/60/43/58/1038604358.db2.gz CHOLKSFGGCPESV-IBGZPJMESA-N 1 0 312.363 4.467 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Cl)s3)CCC2)cc1 ZINC000594033316 1038623406 /nfs/dbraw/zinc/62/34/06/1038623406.db2.gz ZIPBQMYKHWOTOQ-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO CCCCCCC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172649306 1038624724 /nfs/dbraw/zinc/62/47/24/1038624724.db2.gz DXCRKAPPNHTDQZ-OAHLLOKOSA-N 1 0 311.491 4.053 20 30 DIEDRO CCCCCCC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172649299 1038624882 /nfs/dbraw/zinc/62/48/82/1038624882.db2.gz DXCRKAPPNHTDQZ-HNNXBMFYSA-N 1 0 311.491 4.053 20 30 DIEDRO CCc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000540597346 1038628692 /nfs/dbraw/zinc/62/86/92/1038628692.db2.gz MJAVBIIDJSBAEC-KKSFZXQISA-N 1 0 321.468 4.074 20 30 DIEDRO COc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)ccc1C ZINC000594036166 1038632442 /nfs/dbraw/zinc/63/24/42/1038632442.db2.gz YSDZKPCEASXDLW-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000606902297 1038638121 /nfs/dbraw/zinc/63/81/21/1038638121.db2.gz ZYKIVNCMSPEZBF-HNNXBMFYSA-N 1 0 322.880 4.195 20 30 DIEDRO C=CCC[N@@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000606897570 1038638460 /nfs/dbraw/zinc/63/84/60/1038638460.db2.gz ZLZMLKSEVWKTJT-CYBMUJFWSA-N 1 0 301.352 4.291 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2cc3ccccc3o2)cc1 ZINC000606912826 1038639193 /nfs/dbraw/zinc/63/91/93/1038639193.db2.gz IDAXOTUTMCXQKJ-UHFFFAOYSA-N 1 0 307.393 4.330 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCc1cc2ccccc2o1 ZINC000606912760 1038639319 /nfs/dbraw/zinc/63/93/19/1038639319.db2.gz FDRVFPRROKVVJL-UHFFFAOYSA-N 1 0 307.393 4.330 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1cc(C#N)ccc1F ZINC000582378182 1038645048 /nfs/dbraw/zinc/64/50/48/1038645048.db2.gz ROGASGJQJLRLIV-HXUWFJFHSA-N 1 0 324.399 4.215 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@H](CC)C2)cc(OC)c1O ZINC000607168225 1038661160 /nfs/dbraw/zinc/66/11/60/1038661160.db2.gz RXCYOKQFLBOREF-WMLDXEAASA-N 1 0 303.446 4.188 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000479351801 1038704497 /nfs/dbraw/zinc/70/44/97/1038704497.db2.gz PQBJTFIYFONZQD-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000479469433 1038710060 /nfs/dbraw/zinc/71/00/60/1038710060.db2.gz WHUBFBVDAQESRN-QGZVFWFLSA-N 1 0 319.452 4.125 20 30 DIEDRO CC#CC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000607725922 1038725803 /nfs/dbraw/zinc/72/58/03/1038725803.db2.gz GWQLQQDFHWTRSZ-UHFFFAOYSA-N 1 0 304.846 4.152 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC001167597894 1038754574 /nfs/dbraw/zinc/75/45/74/1038754574.db2.gz APCXIZGWAGAGMY-QGZVFWFLSA-N 1 0 309.400 4.037 20 30 DIEDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000075755816 1038759677 /nfs/dbraw/zinc/75/96/77/1038759677.db2.gz CHSDOUJQKLIRHR-AWEZNQCLSA-N 1 0 323.396 4.441 20 30 DIEDRO CCCC[C@@H](CC)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000480052018 1038759823 /nfs/dbraw/zinc/75/98/23/1038759823.db2.gz UYLTZZQFBSXZAC-MRXNPFEDSA-N 1 0 324.472 4.265 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000657528981 1038765604 /nfs/dbraw/zinc/76/56/04/1038765604.db2.gz OLHAZODANIXAEU-HOCLYGCPSA-N 1 0 313.470 4.430 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000342813085 1038850307 /nfs/dbraw/zinc/85/03/07/1038850307.db2.gz ORPNRSVUZHQISM-GOSISDBHSA-N 1 0 321.380 4.196 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000657658951 1038961166 /nfs/dbraw/zinc/96/11/66/1038961166.db2.gz LIKKPPBZCVEQHU-LLVKDONJSA-N 1 0 318.280 4.062 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000934646758 1038925060 /nfs/dbraw/zinc/92/50/60/1038925060.db2.gz UNBTYNCJFAMKPI-UHFFFAOYSA-N 1 0 305.809 4.178 20 30 DIEDRO C=CCC1([NH2+]Cc2cnc(C3CCCC3)s2)CCOCC1 ZINC000657633452 1038930737 /nfs/dbraw/zinc/93/07/37/1038930737.db2.gz PPIUCXXLDJWLCI-UHFFFAOYSA-N 1 0 306.475 4.016 20 30 DIEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC001167619455 1038937235 /nfs/dbraw/zinc/93/72/35/1038937235.db2.gz LRNNDLIIDDJPRR-WBVHZDCISA-N 1 0 308.400 4.150 20 30 DIEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC001167619451 1038938963 /nfs/dbraw/zinc/93/89/63/1038938963.db2.gz LRNNDLIIDDJPRR-NVXWUHKLSA-N 1 0 308.400 4.150 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1oc2ccccc2c1C ZINC000237605814 1038948832 /nfs/dbraw/zinc/94/88/32/1038948832.db2.gz RMMDFBSVYCUGOZ-UHFFFAOYSA-N 1 0 305.377 4.043 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167624583 1038965469 /nfs/dbraw/zinc/96/54/69/1038965469.db2.gz BHXRVVIBHFFOPG-GOSISDBHSA-N 1 0 313.489 4.434 20 30 DIEDRO CCN(Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1Cl ZINC001140603874 1039018451 /nfs/dbraw/zinc/01/84/51/1039018451.db2.gz HBHANXSAIGMVDM-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ccccc2C#N)cc1 ZINC001167637335 1039029851 /nfs/dbraw/zinc/02/98/51/1039029851.db2.gz SZBFDBOYRIWXJK-OAQYLSRUSA-N 1 0 317.436 4.493 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000237848540 1039041446 /nfs/dbraw/zinc/04/14/46/1039041446.db2.gz JUNNXRJAUBPTJH-UHFFFAOYSA-N 1 0 319.326 4.007 20 30 DIEDRO C=CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000091509480 1039049556 /nfs/dbraw/zinc/04/95/56/1039049556.db2.gz TYGWNGXTXDIQCV-QGZVFWFLSA-N 1 0 302.462 4.227 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)C2CCCC2)ccc1OC ZINC000089632021 1039062094 /nfs/dbraw/zinc/06/20/94/1039062094.db2.gz RYQVVRROKJGONL-YOEHRIQHSA-N 1 0 316.445 4.044 20 30 DIEDRO CC(C)(C)[C@@H](NCc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000385965713 1039067349 /nfs/dbraw/zinc/06/73/49/1039067349.db2.gz GCSASVZTEFFHJR-HNNXBMFYSA-N 1 0 303.406 4.031 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000091596975 1039086365 /nfs/dbraw/zinc/08/63/65/1039086365.db2.gz UIABKIJHUPBMON-HNNXBMFYSA-N 1 0 301.430 4.032 20 30 DIEDRO COc1cccc(C2=CC[N@@H+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442675027 1039111699 /nfs/dbraw/zinc/11/16/99/1039111699.db2.gz AYJSUFYJMPKTGT-MRXNPFEDSA-N 1 0 318.420 4.417 20 30 DIEDRO CC#CCN(Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000525635322 1039111812 /nfs/dbraw/zinc/11/18/12/1039111812.db2.gz SPBHTDWSHFNQCS-FQEVSTJZSA-N 1 0 321.420 4.044 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000442693497 1039121773 /nfs/dbraw/zinc/12/17/73/1039121773.db2.gz PFHYKUTWJXIKNT-MAUKXSAKSA-N 1 0 308.400 4.323 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000178782419 1039133935 /nfs/dbraw/zinc/13/39/35/1039133935.db2.gz WROJTZRZSXMLEC-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO C=C(Br)C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000154180005 1039168148 /nfs/dbraw/zinc/16/81/48/1039168148.db2.gz DONATXYFVAWQFC-UHFFFAOYSA-N 1 0 300.627 4.084 20 30 DIEDRO COc1ccc(CC2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC000039306259 1039173202 /nfs/dbraw/zinc/17/32/02/1039173202.db2.gz RAISVNUVPDBWBO-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2nccc(-c3ccccc3)c2C#N)cc1 ZINC001204605716 1039222742 /nfs/dbraw/zinc/22/27/42/1039222742.db2.gz CJSRFHKAGRFJSZ-UHFFFAOYSA-N 1 0 313.404 4.349 20 30 DIEDRO Cn1c2ccc(NCc3cccc(C#N)c3)cc2nc1C(C)(C)C ZINC000535541608 1039235277 /nfs/dbraw/zinc/23/52/77/1039235277.db2.gz FPEXECFAHQSWAI-UHFFFAOYSA-N 1 0 318.424 4.355 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1ccc(C#N)cc1 ZINC000278206873 1039282778 /nfs/dbraw/zinc/28/27/78/1039282778.db2.gz HHZCJDJVLYWGCU-IFXJQAMLSA-N 1 0 324.424 4.377 20 30 DIEDRO CC[C@@H](CSc1ccc(C)c(C)c1)[NH2+]Cc1ccc(C#N)o1 ZINC000539527966 1039284771 /nfs/dbraw/zinc/28/47/71/1039284771.db2.gz FEEVLRUXGVCZDE-HNNXBMFYSA-N 1 0 314.454 4.429 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000539569664 1039293710 /nfs/dbraw/zinc/29/37/10/1039293710.db2.gz MYOLJAQCHDEHRC-ZDUSSCGKSA-N 1 0 308.828 4.426 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C#N)cc1 ZINC000278251742 1039324548 /nfs/dbraw/zinc/32/45/48/1039324548.db2.gz MQBJMKSHDKCPTO-DJJJIMSYSA-N 1 0 321.380 4.195 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(C#N)cc1 ZINC000278253712 1039325450 /nfs/dbraw/zinc/32/54/50/1039325450.db2.gz MWKMUAKYPCLRTH-OALUTQOASA-N 1 0 323.440 4.029 20 30 DIEDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000443213152 1039332470 /nfs/dbraw/zinc/33/24/70/1039332470.db2.gz GJHFWQRFSXQONE-FIKGOQFSSA-N 1 0 321.468 4.209 20 30 DIEDRO C=CC[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CC1 ZINC000540056258 1039412243 /nfs/dbraw/zinc/41/22/43/1039412243.db2.gz PKZFMAJAIZOVMN-UHFFFAOYSA-N 1 0 303.409 4.152 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000540217757 1039457105 /nfs/dbraw/zinc/45/71/05/1039457105.db2.gz UVEUGEQGANCZPU-OAHLLOKOSA-N 1 0 315.392 4.021 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000540317210 1039473475 /nfs/dbraw/zinc/47/34/75/1039473475.db2.gz IHUNVHWZCOZXRA-DLBZAZTESA-N 1 0 307.359 4.225 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000540362957 1039483486 /nfs/dbraw/zinc/48/34/86/1039483486.db2.gz PWGDQBFIQHEQGS-FQEVSTJZSA-N 1 0 308.425 4.362 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](CCC)c1cccc(C(F)(F)F)c1 ZINC000540399006 1039491039 /nfs/dbraw/zinc/49/10/39/1039491039.db2.gz YUTWQZLHIGKTEZ-BBRMVZONSA-N 1 0 315.379 4.321 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000540456880 1039499195 /nfs/dbraw/zinc/49/91/95/1039499195.db2.gz QXRXJZQBLZMKPB-GRDNDAEWSA-N 1 0 316.445 4.192 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000540608301 1039528495 /nfs/dbraw/zinc/52/84/95/1039528495.db2.gz RCSTWFMNRZUZLX-ZIAGYGMSSA-N 1 0 300.446 4.312 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000340500159 1039532693 /nfs/dbraw/zinc/53/26/93/1039532693.db2.gz NMYBEYBMUDLKOO-GIVPXCGWSA-N 1 0 302.421 4.329 20 30 DIEDRO C=CC[N@@H+](CCCCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000151302655 1039539538 /nfs/dbraw/zinc/53/95/38/1039539538.db2.gz ALUCJYIIAOKAHW-UHFFFAOYSA-N 1 0 316.323 4.315 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540708589 1039545179 /nfs/dbraw/zinc/54/51/79/1039545179.db2.gz OYQVTAMGLLTYJT-AFAVFJNCSA-N 1 0 306.450 4.412 20 30 DIEDRO Cc1cccc(C)c1OCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540710830 1039553408 /nfs/dbraw/zinc/55/34/08/1039553408.db2.gz KRCZOKCSWOAFKP-OAHLLOKOSA-N 1 0 312.388 4.044 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000569639994 1039591716 /nfs/dbraw/zinc/59/17/16/1039591716.db2.gz VLXNLBKVPDVCPQ-WOJBJXKFSA-N 1 0 304.437 4.122 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000584076798 1039594646 /nfs/dbraw/zinc/59/46/46/1039594646.db2.gz PCDSTPSFHVRVNS-IBGZPJMESA-N 1 0 324.424 4.159 20 30 DIEDRO N#CCC1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000540994605 1039601591 /nfs/dbraw/zinc/60/15/91/1039601591.db2.gz AUIQJYJUUBMASH-UHFFFAOYSA-N 1 0 303.475 4.316 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1cccs1)c1ccc(C#N)cc1 ZINC000278641844 1039614230 /nfs/dbraw/zinc/61/42/30/1039614230.db2.gz HOLHQYUUHBLWDT-COXVUDFISA-N 1 0 314.454 4.173 20 30 DIEDRO C=C(C)C[C@H](C)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000685269555 1039614807 /nfs/dbraw/zinc/61/48/07/1039614807.db2.gz XHJTZFOGFWORCI-HNNXBMFYSA-N 1 0 311.429 4.402 20 30 DIEDRO CCOCCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807113 1039616756 /nfs/dbraw/zinc/61/67/56/1039616756.db2.gz FWCUFJKHRIUALZ-MRXNPFEDSA-N 1 0 308.425 4.302 20 30 DIEDRO CCOCCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807106 1039617628 /nfs/dbraw/zinc/61/76/28/1039617628.db2.gz FWCUFJKHRIUALZ-INIZCTEOSA-N 1 0 308.425 4.302 20 30 DIEDRO CSc1ccc(F)cc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000584142500 1039621750 /nfs/dbraw/zinc/62/17/50/1039621750.db2.gz CKDCZUQDIKNPFM-KRWDZBQOSA-N 1 0 312.413 4.196 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)[C@H](C)c1ccccc1C(F)(F)F ZINC000159104726 1039626970 /nfs/dbraw/zinc/62/69/70/1039626970.db2.gz NNQCTWFIWZZMOD-MJBXVCDLSA-N 1 0 323.362 4.231 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(OC(F)F)c1 ZINC000090117606 1039638037 /nfs/dbraw/zinc/63/80/37/1039638037.db2.gz PARBMOQADLONJO-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134775059 1039647666 /nfs/dbraw/zinc/64/76/66/1039647666.db2.gz AYYAHTBEGYYAPQ-ROUUACIJSA-N 1 0 318.436 4.044 20 30 DIEDRO CC[C@@H](NC1(c2nc(C)cs2)CCC1)c1ccc(C#N)cc1 ZINC000278693771 1039652570 /nfs/dbraw/zinc/65/25/70/1039652570.db2.gz KOYAAYYEAJUZJY-MRXNPFEDSA-N 1 0 311.454 4.443 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000541349050 1039670912 /nfs/dbraw/zinc/67/09/12/1039670912.db2.gz PEBNJKXWPMRYRR-UHFFFAOYSA-N 1 0 300.471 4.004 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)C(CC)CC)CC1 ZINC000657847427 1039700692 /nfs/dbraw/zinc/70/06/92/1039700692.db2.gz WGMUGPMZSQEPQO-MJGOQNOKSA-N 1 0 320.521 4.138 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC000541554431 1039703568 /nfs/dbraw/zinc/70/35/68/1039703568.db2.gz FULPLKFLUMWUHY-ACJLOTCBSA-N 1 0 312.438 4.211 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)CC1 ZINC000541913726 1039759207 /nfs/dbraw/zinc/75/92/07/1039759207.db2.gz WHYHGJDNSGYNAJ-GOSISDBHSA-N 1 0 324.871 4.416 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(SC)c(OC)c1 ZINC000491328465 1039766317 /nfs/dbraw/zinc/76/63/17/1039766317.db2.gz HRDGWCVLMJFWAF-UHFFFAOYSA-N 1 0 317.454 4.241 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc(C#N)cc1F ZINC000596099905 1039822046 /nfs/dbraw/zinc/82/20/46/1039822046.db2.gz ZBGIKSRIRUBMMT-JTQLQIEISA-N 1 0 302.315 4.327 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000491402566 1039842216 /nfs/dbraw/zinc/84/22/16/1039842216.db2.gz URCORZWKCJNKTO-ZDUSSCGKSA-N 1 0 316.351 4.353 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccc1F)Cc1cccc2ccccc21 ZINC000030204340 1039872093 /nfs/dbraw/zinc/87/20/93/1039872093.db2.gz QGLFFRVETHFLAV-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000271919607 1039893137 /nfs/dbraw/zinc/89/31/37/1039893137.db2.gz DGPGFNHXLYXUOJ-PIGZYNQJSA-N 1 0 314.335 4.011 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271923956 1039900118 /nfs/dbraw/zinc/90/01/18/1039900118.db2.gz IPTSXTRDCJBKRO-RYUDHWBXSA-N 1 0 316.351 4.257 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+](CCc1nccs1)C(C)C ZINC000093764205 1039904369 /nfs/dbraw/zinc/90/43/69/1039904369.db2.gz XOWBZSFKHRCVAV-UHFFFAOYSA-N 1 0 316.470 4.161 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC000492607556 1039983446 /nfs/dbraw/zinc/98/34/46/1039983446.db2.gz NBXUQYUJOYAOHY-CQSZACIVSA-N 1 0 309.251 4.235 20 30 DIEDRO CC(C)CN(CCC#N)Cc1cc(Cl)nc2ccccc12 ZINC000782499182 1039985297 /nfs/dbraw/zinc/98/52/97/1039985297.db2.gz MMICOIFDONQRGY-UHFFFAOYSA-N 1 0 301.821 4.260 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)ccc1C#N ZINC000443966683 1039986760 /nfs/dbraw/zinc/98/67/60/1039986760.db2.gz LRZKFPKECQQTEZ-UHFFFAOYSA-N 1 0 322.452 4.472 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccco1 ZINC000647338400 1040001184 /nfs/dbraw/zinc/00/11/84/1040001184.db2.gz MGVJTCUUWOUMTO-ZHALLVOQSA-N 1 0 312.413 4.192 20 30 DIEDRO Cc1cc(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)ccc1C#N ZINC000443986935 1040001613 /nfs/dbraw/zinc/00/16/13/1040001613.db2.gz GOPQDTYXQLFZEO-WOJBJXKFSA-N 1 0 324.399 4.016 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)ccc1C#N ZINC000443988240 1040002030 /nfs/dbraw/zinc/00/20/30/1040002030.db2.gz LOOFGMRQVSQWLB-RTWAWAEBSA-N 1 0 320.436 4.094 20 30 DIEDRO CSCc1cc(F)ccc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443985521 1040007065 /nfs/dbraw/zinc/00/70/65/1040007065.db2.gz HKFVXYFXFYAWPW-UHFFFAOYSA-N 1 0 314.429 4.159 20 30 DIEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000728593894 1040013033 /nfs/dbraw/zinc/01/30/33/1040013033.db2.gz JNLLFIPPNWBZCC-PMACEKPBSA-N 1 0 313.489 4.341 20 30 DIEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000728593897 1040013330 /nfs/dbraw/zinc/01/33/30/1040013330.db2.gz JNLLFIPPNWBZCC-WOJBJXKFSA-N 1 0 313.489 4.341 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)ccc1C#N ZINC000444001552 1040013698 /nfs/dbraw/zinc/01/36/98/1040013698.db2.gz IDVRHELKVXEWGV-GOSISDBHSA-N 1 0 310.372 4.009 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000657889008 1040036278 /nfs/dbraw/zinc/03/62/78/1040036278.db2.gz OZOMJBNBNDEHQH-MNOVXSKESA-N 1 0 304.381 4.386 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC(C)(C)c1ccccc1 ZINC000685442328 1040049989 /nfs/dbraw/zinc/04/99/89/1040049989.db2.gz CROHIGZCAHPAFX-UHFFFAOYSA-N 1 0 313.441 4.128 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000480579967 1040109357 /nfs/dbraw/zinc/10/93/57/1040109357.db2.gz QGEKHZAXUKURDQ-HOTGVXAUSA-N 1 0 306.862 4.072 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1OC(Cl)(Cl)c1c(F)cccc1Cl ZINC001217833749 1040118757 /nfs/dbraw/zinc/11/87/57/1040118757.db2.gz ZEJNMFDTMDBFIU-NSHDSACASA-N 1 0 324.610 4.002 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000177906499 1040145783 /nfs/dbraw/zinc/14/57/83/1040145783.db2.gz ICTVPZYJBCACPG-LBPRGKRZSA-N 1 0 313.272 4.294 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000657929466 1040184452 /nfs/dbraw/zinc/18/44/52/1040184452.db2.gz HSZFMJYRWDFNOS-RDJZCZTQSA-N 1 0 311.429 4.004 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000657931319 1040189857 /nfs/dbraw/zinc/18/98/57/1040189857.db2.gz HGUISZVTIUWYNP-QRQLOZEOSA-N 1 0 312.457 4.209 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](COC)CC1CCOCC1)c1ccccc1 ZINC000657931777 1040190419 /nfs/dbraw/zinc/19/04/19/1040190419.db2.gz SODVPIATIHGULS-PMACEKPBSA-N 1 0 317.473 4.115 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000657982109 1040247921 /nfs/dbraw/zinc/24/79/21/1040247921.db2.gz UYDRPZJTKCEVBN-PBHICJAKSA-N 1 0 306.450 4.214 20 30 DIEDRO CC[NH+](CC)[C@@H](C/N=C\c1cc(Cl)ccc1O)c1ccco1 ZINC000255631218 1040270753 /nfs/dbraw/zinc/27/07/53/1040270753.db2.gz OAGJCFSMDHRGSF-VUQQOUJSSA-N 1 0 320.820 4.141 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000658058566 1040282086 /nfs/dbraw/zinc/28/20/86/1040282086.db2.gz CLJTXNZXIOVCQK-BJZITVGISA-N 1 0 300.446 4.431 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000658059571 1040284339 /nfs/dbraw/zinc/28/43/39/1040284339.db2.gz JILMZMLKBCEVKP-FUHWJXTLSA-N 1 0 320.521 4.138 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000658062135 1040287189 /nfs/dbraw/zinc/28/71/89/1040287189.db2.gz YHBFTDYTPINNAG-GZBFAFLISA-N 1 0 300.402 4.319 20 30 DIEDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCOCC1)c1cccc(C#N)c1 ZINC000451945827 1040342885 /nfs/dbraw/zinc/34/28/85/1040342885.db2.gz WRQUOTUZTOVQDY-QGZVFWFLSA-N 1 0 320.436 4.001 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000658207208 1040354756 /nfs/dbraw/zinc/35/47/56/1040354756.db2.gz SOXFWTPPKNUCPT-ZDUSSCGKSA-N 1 0 320.433 4.193 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCc3ccc(C)cc32)cc1C#N ZINC000179360060 1040397711 /nfs/dbraw/zinc/39/77/11/1040397711.db2.gz NLSMSCLLBVLLOI-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO N#Cc1cc(F)ccc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310177096 1040451847 /nfs/dbraw/zinc/45/18/47/1040451847.db2.gz MOCTTWVIBDMNPX-QGZVFWFLSA-N 1 0 323.415 4.021 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1CC=CCC1 ZINC000612144815 1040452044 /nfs/dbraw/zinc/45/20/44/1040452044.db2.gz TZZDAVJFXLUKEJ-CYBMUJFWSA-N 1 0 319.246 4.109 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)s1)[C@@H](C)c1cccc(OC)c1 ZINC000179470419 1040463886 /nfs/dbraw/zinc/46/38/86/1040463886.db2.gz YRQJUFHMSCYECI-ZDUSSCGKSA-N 1 0 300.427 4.211 20 30 DIEDRO C[C@]1(C#N)CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000612164651 1040464435 /nfs/dbraw/zinc/46/44/35/1040464435.db2.gz DIYZZWRJTGXONP-MRXNPFEDSA-N 1 0 310.363 4.264 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000179463764 1040465403 /nfs/dbraw/zinc/46/54/03/1040465403.db2.gz UAWMMBIETZAUTF-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000179801293 1040532692 /nfs/dbraw/zinc/53/26/92/1040532692.db2.gz RZDRERJLYLMTBQ-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO CC(C)CCC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001167688151 1040536526 /nfs/dbraw/zinc/53/65/26/1040536526.db2.gz AJEMBHDOLWVTDK-UHFFFAOYSA-N 1 0 300.446 4.237 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278789622 1040554305 /nfs/dbraw/zinc/55/43/05/1040554305.db2.gz QHJDYEKTQTZHHZ-UIAACRFSSA-N 1 0 308.425 4.111 20 30 DIEDRO COc1cccc(CC2CC[NH+](CC(C)(C)CCC#N)CC2)c1 ZINC000612400882 1040586576 /nfs/dbraw/zinc/58/65/76/1040586576.db2.gz IBXKCMCIXKIKBK-UHFFFAOYSA-N 1 0 314.473 4.280 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000065959502 1040626895 /nfs/dbraw/zinc/62/68/95/1040626895.db2.gz WVDVIFUTFMBPFU-UHFFFAOYSA-N 1 0 310.397 4.134 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1sccc1Br)C1CC1 ZINC000381536296 1040641139 /nfs/dbraw/zinc/64/11/39/1040641139.db2.gz GWSLFKJVIYLQDI-LBPRGKRZSA-N 1 0 300.265 4.345 20 30 DIEDRO Cc1cnc([C@@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000612576873 1040647872 /nfs/dbraw/zinc/64/78/72/1040647872.db2.gz FUFNNXJOFVMUIX-YVEFUNNKSA-N 1 0 311.454 4.094 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)CC3 ZINC000613255758 1040848063 /nfs/dbraw/zinc/84/80/63/1040848063.db2.gz GQZAGWYWLKTQEV-ARFHVFGLSA-N 1 0 307.441 4.006 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414111449 1040877117 /nfs/dbraw/zinc/87/71/17/1040877117.db2.gz XEUBBBGFCBQSQH-CQSZACIVSA-N 1 0 302.443 4.053 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000178053001 1040888517 /nfs/dbraw/zinc/88/85/17/1040888517.db2.gz MMBJVWVIXZBKIG-LBPRGKRZSA-N 1 0 302.418 4.322 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000414138666 1040910604 /nfs/dbraw/zinc/91/06/04/1040910604.db2.gz FUAWOGGILGACQU-KUHUBIRLSA-N 1 0 306.409 4.213 20 30 DIEDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cn1 ZINC000414152157 1040926451 /nfs/dbraw/zinc/92/64/51/1040926451.db2.gz WXDFGZWHKBTSRC-VQIMIIECSA-N 1 0 323.440 4.046 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000414155160 1040932714 /nfs/dbraw/zinc/93/27/14/1040932714.db2.gz MRTGVMKQMGWWRG-IIBYNOLFSA-N 1 0 319.452 4.332 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(OC(F)(F)F)cc1 ZINC000414161342 1040937428 /nfs/dbraw/zinc/93/74/28/1040937428.db2.gz FGTNKPYOBMKQLY-NSHDSACASA-N 1 0 300.324 4.176 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1OC(F)(F)F ZINC000414160717 1040942314 /nfs/dbraw/zinc/94/23/14/1040942314.db2.gz DKMJTZZOYNEMPU-LLVKDONJSA-N 1 0 300.324 4.176 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000414166052 1040944725 /nfs/dbraw/zinc/94/47/25/1040944725.db2.gz NAQKNWVRZKNSQL-OAHLLOKOSA-N 1 0 321.262 4.430 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C1 ZINC000414232115 1041034928 /nfs/dbraw/zinc/03/49/28/1041034928.db2.gz HXDRKBMILYXOMD-KBPBESRZSA-N 1 0 304.384 4.058 20 30 DIEDRO Cc1cc(NCc2ccc(OCC#N)cc2)c2cc(F)ccc2[nH+]1 ZINC000178209596 1041086619 /nfs/dbraw/zinc/08/66/19/1041086619.db2.gz JOGXJGBEVPCGLN-UHFFFAOYSA-N 1 0 321.355 4.197 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000414309684 1041105525 /nfs/dbraw/zinc/10/55/25/1041105525.db2.gz VKFHGWMIEZQHOW-IERDGZPVSA-N 1 0 322.452 4.483 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000414310559 1041107801 /nfs/dbraw/zinc/10/78/01/1041107801.db2.gz WHKOIFAHASYKNO-UZLBHIALSA-N 1 0 322.452 4.483 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000414310551 1041107819 /nfs/dbraw/zinc/10/78/19/1041107819.db2.gz WHKOIFAHASYKNO-JXFKEZNVSA-N 1 0 322.452 4.483 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000414355222 1041162868 /nfs/dbraw/zinc/16/28/68/1041162868.db2.gz YLXDPDQOBMXGEY-ICSRJNTNSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000180542208 1041167255 /nfs/dbraw/zinc/16/72/55/1041167255.db2.gz ONENZOPMQIWUPU-ULQDDVLXSA-N 1 0 308.425 4.432 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)CCC2 ZINC000180553595 1041169255 /nfs/dbraw/zinc/16/92/55/1041169255.db2.gz PYKHVHAHKYQIMG-FQEVSTJZSA-N 1 0 306.409 4.065 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000180559541 1041171339 /nfs/dbraw/zinc/17/13/39/1041171339.db2.gz COCQCEWLCBDONC-KRWDZBQOSA-N 1 0 308.425 4.008 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCCC)c(OC)c2)cc1 ZINC000809605726 1041192442 /nfs/dbraw/zinc/19/24/42/1041192442.db2.gz GZIBVBAGTARCLO-INIZCTEOSA-N 1 0 323.436 4.316 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000809611106 1041194264 /nfs/dbraw/zinc/19/42/64/1041194264.db2.gz RCJQSJXUXBJTJI-IBGZPJMESA-N 1 0 303.409 4.031 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000809594486 1041197007 /nfs/dbraw/zinc/19/70/07/1041197007.db2.gz XNXXDDWIKJFEJH-WOJBJXKFSA-N 1 0 323.436 4.129 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2csc(-c3ccccc3)n2)cc1 ZINC000809602996 1041202478 /nfs/dbraw/zinc/20/24/78/1041202478.db2.gz GKGZWHSVLXPGNQ-UHFFFAOYSA-N 1 0 318.445 4.124 20 30 DIEDRO CSC1(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000809621098 1041204308 /nfs/dbraw/zinc/20/43/08/1041204308.db2.gz VFVKZYVDAZJLHO-UHFFFAOYSA-N 1 0 314.479 4.272 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000809628277 1041206510 /nfs/dbraw/zinc/20/65/10/1041206510.db2.gz GLSUZQYDQQWZIS-QGZVFWFLSA-N 1 0 304.437 4.119 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000809639272 1041209368 /nfs/dbraw/zinc/20/93/68/1041209368.db2.gz JCRPVXLSCQLQKR-LEWJYISDSA-N 1 0 323.411 4.159 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000926779911 1041209565 /nfs/dbraw/zinc/20/95/65/1041209565.db2.gz VSOLQZBMFOJFEZ-MAZHCROVSA-N 1 0 306.837 4.088 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000926779915 1041210838 /nfs/dbraw/zinc/21/08/38/1041210838.db2.gz VSOLQZBMFOJFEZ-WQVCFCJDSA-N 1 0 306.837 4.088 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)cc1 ZINC000809650727 1041211834 /nfs/dbraw/zinc/21/18/34/1041211834.db2.gz KRMZYTOSKGWBDG-UHFFFAOYSA-N 1 0 303.327 4.285 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000809663768 1041222202 /nfs/dbraw/zinc/22/22/02/1041222202.db2.gz USURCGABTXHPNY-INIZCTEOSA-N 1 0 307.359 4.222 20 30 DIEDRO CCCC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C1CCC1 ZINC000809766281 1041249558 /nfs/dbraw/zinc/24/95/58/1041249558.db2.gz WRSKHVNCQPBJMG-HNAYVOBHSA-N 1 0 300.446 4.426 20 30 DIEDRO Cc1nc(C(C)(C)C)nc(N[C@@H](C)c2cccc(C#N)c2)c1C ZINC001167707435 1041274154 /nfs/dbraw/zinc/27/41/54/1041274154.db2.gz WHDCHEOHECXZST-AWEZNQCLSA-N 1 0 308.429 4.436 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@@H](CC)CCCCCC)C2)C1=O ZINC001170593467 1041290504 /nfs/dbraw/zinc/29/05/04/1041290504.db2.gz RQSXWQSDENPGKN-ICSRJNTNSA-N 1 0 320.521 4.236 20 30 DIEDRO C[C@H](Nc1ccc([C@@H]2CC[N@H+](C)C2)cc1)c1cccc(C#N)c1 ZINC001167709822 1041310130 /nfs/dbraw/zinc/31/01/30/1041310130.db2.gz YELYPMPSMPGDQP-HNAYVOBHSA-N 1 0 305.425 4.150 20 30 DIEDRO C[C@H](Nc1cc[nH+]c(N2CCCCC2)c1)c1cccc(C#N)c1 ZINC001167710578 1041328364 /nfs/dbraw/zinc/32/83/64/1041328364.db2.gz PASLWUMZHFBCJW-HNNXBMFYSA-N 1 0 306.413 4.117 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc3sccc3c2)cc1C#N ZINC000810160181 1041328782 /nfs/dbraw/zinc/32/87/82/1041328782.db2.gz XBMXWWMCHGPOPG-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc(Br)nc1)c1ccccc1 ZINC000810214112 1041338008 /nfs/dbraw/zinc/33/80/08/1041338008.db2.gz OSZQWGFEZJZBPZ-ZDUSSCGKSA-N 1 0 317.230 4.208 20 30 DIEDRO CCC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H](O)c1ccccc1 ZINC000810236959 1041353584 /nfs/dbraw/zinc/35/35/84/1041353584.db2.gz CIUSNYDFGRVKBA-HKBOAZHASA-N 1 0 320.436 4.037 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccc(C#N)cc1 ZINC000103340132 1041358847 /nfs/dbraw/zinc/35/88/47/1041358847.db2.gz HZRSRFMWKIOTNT-AWEZNQCLSA-N 1 0 306.409 4.123 20 30 DIEDRO COC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000290244516 1041384600 /nfs/dbraw/zinc/38/46/00/1041384600.db2.gz JLJGGJBHBAHQJG-UGSOOPFHSA-N 1 0 314.816 4.250 20 30 DIEDRO CCCCCCCCC[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000236635647 1041393476 /nfs/dbraw/zinc/39/34/76/1041393476.db2.gz YWAVWSGILPHGLI-UHFFFAOYSA-N 1 0 302.466 4.117 20 30 DIEDRO CC(C)(C#N)C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000926873278 1041433756 /nfs/dbraw/zinc/43/37/56/1041433756.db2.gz DWTIZYDPTQWGFH-UHFFFAOYSA-N 1 0 304.278 4.179 20 30 DIEDRO Cc1ccc(CCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(C)c1 ZINC000728713324 1041480432 /nfs/dbraw/zinc/48/04/32/1041480432.db2.gz ZMTATNJVLRXPRJ-GOSISDBHSA-N 1 0 322.452 4.317 20 30 DIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728714842 1041480864 /nfs/dbraw/zinc/48/08/64/1041480864.db2.gz ATDMFSLAUGDUEX-KVSKMBFKSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000365733792 1041494179 /nfs/dbraw/zinc/49/41/79/1041494179.db2.gz JBAKIPVQQMZRMB-ACRUOGEOSA-N 1 0 320.436 4.377 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC001170632473 1041505915 /nfs/dbraw/zinc/50/59/15/1041505915.db2.gz IXPARJFHMONMOP-UHFFFAOYSA-N 1 0 320.864 4.162 20 30 DIEDRO C=C(C)C[N@H+]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001170632274 1041506223 /nfs/dbraw/zinc/50/62/23/1041506223.db2.gz HEBTYSRTVJISKM-IBGZPJMESA-N 1 0 320.908 4.448 20 30 DIEDRO C=CCC1(CNC(=O)Nc2ccccc2C[NH2+]CC)CCCC1 ZINC000415936559 1041507612 /nfs/dbraw/zinc/50/76/12/1041507612.db2.gz WVEZTFBHBWXKHL-UHFFFAOYSA-N 1 0 315.461 4.054 20 30 DIEDRO C=CC[C@H]1N(C(=O)Nc2cccc(C[NH2+]C)c2)CCCC1(C)C ZINC000415964774 1041510879 /nfs/dbraw/zinc/51/08/79/1041510879.db2.gz TVVDQGSBTIBGKQ-QGZVFWFLSA-N 1 0 315.461 4.005 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000341217802 1041512313 /nfs/dbraw/zinc/51/23/13/1041512313.db2.gz ZBSCCLSEEMORNL-MRXNPFEDSA-N 1 0 316.351 4.401 20 30 DIEDRO C[N@H+](CC1CCC(C#N)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000930532441 1041520874 /nfs/dbraw/zinc/52/08/74/1041520874.db2.gz UTILQMIEUQXGDH-CVSAEHQPSA-N 1 0 302.384 4.369 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1O ZINC000811489293 1041523541 /nfs/dbraw/zinc/52/35/41/1041523541.db2.gz DCYAYUYKMBCOII-GFCCVEGCSA-N 1 0 300.324 4.001 20 30 DIEDRO C#C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000811516071 1041529045 /nfs/dbraw/zinc/52/90/45/1041529045.db2.gz DBMFPNIXLPFCEJ-SFHVURJKSA-N 1 0 317.860 4.343 20 30 DIEDRO C#C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000811516680 1041530163 /nfs/dbraw/zinc/53/01/63/1041530163.db2.gz SSFIBKWZKGKPIA-FQEVSTJZSA-N 1 0 324.855 4.273 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000811516681 1041531072 /nfs/dbraw/zinc/53/10/72/1041531072.db2.gz SSFIBKWZKGKPIA-HXUWFJFHSA-N 1 0 324.855 4.273 20 30 DIEDRO C#C[C@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccc(Cl)cc1 ZINC000811516355 1041534342 /nfs/dbraw/zinc/53/43/42/1041534342.db2.gz MBWYVFTZIAFBTL-ADKAHSJRSA-N 1 0 303.833 4.096 20 30 DIEDRO CC(C)CC1(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CCC1 ZINC000236673280 1041538368 /nfs/dbraw/zinc/53/83/68/1041538368.db2.gz NHPYTZUAKMHUCI-MRXNPFEDSA-N 1 0 300.446 4.283 20 30 DIEDRO CCCC[NH+](CCCC)CCNc1ccc(CC#N)c(C)c1 ZINC001167733454 1041544385 /nfs/dbraw/zinc/54/43/85/1041544385.db2.gz VXWOGVGMOVTECX-UHFFFAOYSA-N 1 0 301.478 4.375 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1 ZINC000365795455 1041563250 /nfs/dbraw/zinc/56/32/50/1041563250.db2.gz NRZVNRFHLDBRNL-RBUKOAKNSA-N 1 0 312.457 4.481 20 30 DIEDRO C=CCCCCCCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000811865317 1041576118 /nfs/dbraw/zinc/57/61/18/1041576118.db2.gz YHBCIPPQJJTDTN-UHFFFAOYSA-N 1 0 323.525 4.075 20 30 DIEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc(CCC#N)cc1 ZINC001170681519 1041635537 /nfs/dbraw/zinc/63/55/37/1041635537.db2.gz HGAHXPJEDLVHJH-HNNXBMFYSA-N 1 0 316.408 4.015 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812899829 1041661137 /nfs/dbraw/zinc/66/11/37/1041661137.db2.gz DPRVIJKAGQZMCP-INIZCTEOSA-N 1 0 315.461 4.003 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812900171 1041661142 /nfs/dbraw/zinc/66/11/42/1041661142.db2.gz QFGRVFTVMGKCBE-JKSUJKDBSA-N 1 0 315.461 4.002 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000417367747 1041665433 /nfs/dbraw/zinc/66/54/33/1041665433.db2.gz PGMAQQJGXANJCH-RTWAWAEBSA-N 1 0 318.420 4.308 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000417368530 1041665600 /nfs/dbraw/zinc/66/56/00/1041665600.db2.gz PXJCSBBKGXJQRO-RTBURBONSA-N 1 0 324.374 4.491 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000584865937 1041694668 /nfs/dbraw/zinc/69/46/68/1041694668.db2.gz LVRGMQWZVJCIPV-PBHICJAKSA-N 1 0 300.446 4.357 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000584865940 1041695057 /nfs/dbraw/zinc/69/50/57/1041695057.db2.gz LVRGMQWZVJCIPV-YOEHRIQHSA-N 1 0 300.446 4.357 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000930930210 1041704767 /nfs/dbraw/zinc/70/47/67/1041704767.db2.gz CWYMBWVYZOFREL-UHFFFAOYSA-N 1 0 303.409 4.072 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)C1CC1 ZINC000747858784 1041721152 /nfs/dbraw/zinc/72/11/52/1041721152.db2.gz YYNQVLGQZCIUOD-LJQANCHMSA-N 1 0 312.457 4.038 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000747870629 1041727901 /nfs/dbraw/zinc/72/79/01/1041727901.db2.gz DQQDLOBDQNGSGI-HOTGVXAUSA-N 1 0 314.256 4.361 20 30 DIEDRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC1(C#N)CCC1 ZINC000418145962 1041732590 /nfs/dbraw/zinc/73/25/90/1041732590.db2.gz ZVVKFBIVONYMMG-MDWZMJQESA-N 1 0 308.347 4.392 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(F)c(F)cc1F ZINC000418149479 1041732784 /nfs/dbraw/zinc/73/27/84/1041732784.db2.gz VCTKFJAJAZDKER-GOSISDBHSA-N 1 0 316.326 4.143 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398130354 1041769056 /nfs/dbraw/zinc/76/90/56/1041769056.db2.gz VJTMEKPMISULJT-YESZJQIVSA-N 1 0 324.509 4.356 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000814164940 1041782243 /nfs/dbraw/zinc/78/22/43/1041782243.db2.gz HUCFFBTXNWCTQJ-LJQANCHMSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709467196 1041785411 /nfs/dbraw/zinc/78/54/11/1041785411.db2.gz AHTQTHYLVHQOBA-ULQDDVLXSA-N 1 0 324.509 4.334 20 30 DIEDRO CCOCCC1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCCC1 ZINC000566767512 1041796265 /nfs/dbraw/zinc/79/62/65/1041796265.db2.gz JTBSIQWSMPZQJK-IBGZPJMESA-N 1 0 312.457 4.122 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000561850993 1041802497 /nfs/dbraw/zinc/80/24/97/1041802497.db2.gz HLFDQUNDZWSRQC-FQEVSTJZSA-N 1 0 311.425 4.349 20 30 DIEDRO COc1cccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1F ZINC000590069263 1041836320 /nfs/dbraw/zinc/83/63/20/1041836320.db2.gz MPTBMUTVGVPPCS-KRWDZBQOSA-N 1 0 312.388 4.359 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814659407 1041845221 /nfs/dbraw/zinc/84/52/21/1041845221.db2.gz NFSRPDZMVUYQBF-GJZGRUSLSA-N 1 0 302.418 4.039 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814659409 1041845231 /nfs/dbraw/zinc/84/52/31/1041845231.db2.gz NFSRPDZMVUYQBF-LSDHHAIUSA-N 1 0 302.418 4.039 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814658341 1041845347 /nfs/dbraw/zinc/84/53/47/1041845347.db2.gz ZXYRXOVLBONYKN-HOTGVXAUSA-N 1 0 316.445 4.429 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814658342 1041845363 /nfs/dbraw/zinc/84/53/63/1041845363.db2.gz ZXYRXOVLBONYKN-HZPDHXFCSA-N 1 0 316.445 4.429 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657375 1041845513 /nfs/dbraw/zinc/84/55/13/1041845513.db2.gz CRSXLGXYEOHXHZ-MRXNPFEDSA-N 1 0 316.445 4.430 20 30 DIEDRO CC(=O)Oc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000814658414 1041845827 /nfs/dbraw/zinc/84/58/27/1041845827.db2.gz CEQMYAANLZPZJF-FQEVSTJZSA-N 1 0 322.408 4.137 20 30 DIEDRO C=CCCCCC[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660717927 1041856943 /nfs/dbraw/zinc/85/69/43/1041856943.db2.gz MJFYYKPWWBBOFE-UHFFFAOYSA-N 1 0 302.466 4.085 20 30 DIEDRO CC(=NN=C1c2ccccc2-c2ccccc21)C1CC[NH+](C)CC1 ZINC000814779195 1041868478 /nfs/dbraw/zinc/86/84/78/1041868478.db2.gz HQYMTWIHINBMFW-UHFFFAOYSA-N 1 0 317.436 4.222 20 30 DIEDRO CC(=NNc1cccc2ncccc21)c1cccc(C[NH+](C)C)c1 ZINC000814804342 1041872344 /nfs/dbraw/zinc/87/23/44/1041872344.db2.gz KWAZDDLNLOPTBE-UHFFFAOYSA-N 1 0 318.424 4.133 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000651672256 1041875525 /nfs/dbraw/zinc/87/55/25/1041875525.db2.gz VRQDKZVNFPPJEP-CLCXKQKWSA-N 1 0 312.457 4.431 20 30 DIEDRO CC(N=Nc1cc(F)c(F)cc1F)c1cccc(C[NH+](C)C)c1 ZINC000814849578 1041877168 /nfs/dbraw/zinc/87/71/68/1041877168.db2.gz BETNDDNIBYGJPA-UHFFFAOYSA-N 1 0 321.346 4.002 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncn1Cc1ccccc1 ZINC000661113906 1041887759 /nfs/dbraw/zinc/88/77/59/1041887759.db2.gz CLRHQVCEOJECEI-ICSRJNTNSA-N 1 0 309.457 4.156 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1CC ZINC000661115859 1041888516 /nfs/dbraw/zinc/88/85/16/1041888516.db2.gz FSXPNZDNAAUZMX-QZTJIDSGSA-N 1 0 314.473 4.220 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000661115395 1041888588 /nfs/dbraw/zinc/88/85/88/1041888588.db2.gz BUXFTFVLYWHHBY-DOTOQJQBSA-N 1 0 311.429 4.004 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1csc([C@H](C)OCC)n1 ZINC000661118156 1041889505 /nfs/dbraw/zinc/88/95/05/1041889505.db2.gz XBLUYSIXUDKYTA-SQWLQELKSA-N 1 0 308.491 4.465 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000651723996 1041894961 /nfs/dbraw/zinc/89/49/61/1041894961.db2.gz HONQIRZUNFTFNJ-QWRGUYRKSA-N 1 0 304.381 4.039 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000651744971 1041901974 /nfs/dbraw/zinc/90/19/74/1041901974.db2.gz WGYFFDVQNAKEPU-BFYDXBDKSA-N 1 0 311.429 4.175 20 30 DIEDRO CC(C)(C)c1csc(C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000815031974 1041907253 /nfs/dbraw/zinc/90/72/53/1041907253.db2.gz MFSMQYICNSMDPZ-HIFRSBDPSA-N 1 0 317.502 4.312 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000651785030 1041911072 /nfs/dbraw/zinc/91/10/72/1041911072.db2.gz MVCZOXSRRKQLER-INMHGKMJSA-N 1 0 311.429 4.056 20 30 DIEDRO C#CC[C@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1ccccc1 ZINC000815083059 1041912717 /nfs/dbraw/zinc/91/27/17/1041912717.db2.gz HGJKSGAWNMCIRF-VXKWHMMOSA-N 1 0 315.416 4.227 20 30 DIEDRO CCc1nocc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000815125712 1041916798 /nfs/dbraw/zinc/91/67/98/1041916798.db2.gz LUIJOPCMJOSWHY-UHFFFAOYSA-N 1 0 323.421 4.127 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199921 1041928779 /nfs/dbraw/zinc/92/87/79/1041928779.db2.gz FFMCQNITECEOEI-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378533 1041929103 /nfs/dbraw/zinc/92/91/03/1041929103.db2.gz IGMXRVDSMVNOQU-HOTGVXAUSA-N 1 0 311.429 4.394 20 30 DIEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000661379872 1041929602 /nfs/dbraw/zinc/92/96/02/1041929602.db2.gz BSXPSHHFQBFPKT-MRXNPFEDSA-N 1 0 309.413 4.057 20 30 DIEDRO C#CCCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815595797 1041970709 /nfs/dbraw/zinc/97/07/09/1041970709.db2.gz BRQHCXNJOZUJKR-FQEVSTJZSA-N 1 0 307.437 4.459 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815636130 1041982341 /nfs/dbraw/zinc/98/23/41/1041982341.db2.gz PKEBEFJDMGEVJF-WBVHZDCISA-N 1 0 316.445 4.429 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CC)C(C)(C)O)cc1 ZINC000815652357 1041985610 /nfs/dbraw/zinc/98/56/10/1041985610.db2.gz ZFCDDTPAKCKDIX-XJKSGUPXSA-N 1 0 311.853 4.018 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)C(C)(C)C ZINC000661754902 1041987947 /nfs/dbraw/zinc/98/79/47/1041987947.db2.gz GMWIMUVUQPKWEV-UHFFFAOYSA-N 1 0 302.462 4.343 20 30 DIEDRO C=CCC1([NH2+]CCCc2nc(-c3cccs3)no2)CCCC1 ZINC000661851435 1042006003 /nfs/dbraw/zinc/00/60/03/1042006003.db2.gz RIXHNDBDHPXISV-UHFFFAOYSA-N 1 0 317.458 4.209 20 30 DIEDRO C=CCC1([NH2+]Cc2nnc(-c3ccccc3Cl)o2)CCCC1 ZINC000661851012 1042006239 /nfs/dbraw/zinc/00/62/39/1042006239.db2.gz MJEVCMIHKFHUEQ-UHFFFAOYSA-N 1 0 317.820 4.369 20 30 DIEDRO C=CCC1([NH2+]CCC(=O)Nc2ccccc2Cl)CCCC1 ZINC000661848161 1042006261 /nfs/dbraw/zinc/00/62/61/1042006261.db2.gz IMXYZEIVSACOLT-UHFFFAOYSA-N 1 0 306.837 4.147 20 30 DIEDRO COc1ccc2c(c1)C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000487365979 1042015580 /nfs/dbraw/zinc/01/55/80/1042015580.db2.gz KAZDUGDLDOCJTC-UHFFFAOYSA-N 1 0 320.436 4.055 20 30 DIEDRO CCCCCCCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001167784425 1042015793 /nfs/dbraw/zinc/01/57/93/1042015793.db2.gz INSLUVRGTKZYIY-HXUWFJFHSA-N 1 0 313.489 4.229 20 30 DIEDRO COc1ccccc1CC[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000487369567 1042032441 /nfs/dbraw/zinc/03/24/41/1042032441.db2.gz UFNZXOKGAYUWOE-UHFFFAOYSA-N 1 0 322.452 4.171 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816456843 1042054362 /nfs/dbraw/zinc/05/43/62/1042054362.db2.gz OVUCRJAGOGRILP-SCTDSRPQSA-N 1 0 315.457 4.043 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc2ccccc2c1O ZINC000816485331 1042056679 /nfs/dbraw/zinc/05/66/79/1042056679.db2.gz IXEIQCYYAPWNJB-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(Cc2ccccc2)n1 ZINC000662079533 1042057790 /nfs/dbraw/zinc/05/77/90/1042057790.db2.gz KCXJROBYTRHSMG-HDICACEKSA-N 1 0 310.466 4.417 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000662079328 1042058069 /nfs/dbraw/zinc/05/80/69/1042058069.db2.gz JYFRPBQSJCPKMV-IYBDPMFKSA-N 1 0 310.397 4.033 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCc2ccncc2)cc1 ZINC000662085015 1042058782 /nfs/dbraw/zinc/05/87/82/1042058782.db2.gz ZHVSWDKEFZSCTA-BGYRXZFFSA-N 1 0 320.436 4.344 20 30 DIEDRO CC(C)c1ccc(C2(O)CCC([NH2+]CC(C)(C)C#N)CC2)cc1 ZINC000816568708 1042069043 /nfs/dbraw/zinc/06/90/43/1042069043.db2.gz OCEFNXBSEVSNEK-UHFFFAOYSA-N 1 0 314.473 4.080 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1ccc(Cl)cc1F ZINC000816608295 1042071823 /nfs/dbraw/zinc/07/18/23/1042071823.db2.gz VRXQTVFDKJDVMK-KZULUSFZSA-N 1 0 317.791 4.080 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000816619700 1042074796 /nfs/dbraw/zinc/07/47/96/1042074796.db2.gz QZKADMQWYPHQDK-PXNSSMCTSA-N 1 0 320.436 4.357 20 30 DIEDRO COCc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872264 1042078947 /nfs/dbraw/zinc/07/89/47/1042078947.db2.gz POVJLPBPAIFKOF-SFTDATJTSA-N 1 0 320.436 4.105 20 30 DIEDRO C#CCCC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000817408752 1042107160 /nfs/dbraw/zinc/10/71/60/1042107160.db2.gz NLPZEGUUUJMNJS-UHFFFAOYSA-N 1 0 307.441 4.168 20 30 DIEDRO CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000278863245 1042109026 /nfs/dbraw/zinc/10/90/26/1042109026.db2.gz WMLZDXAWOXNSJT-HXUWFJFHSA-N 1 0 311.473 4.006 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)c(F)c1 ZINC000817575270 1042114875 /nfs/dbraw/zinc/11/48/75/1042114875.db2.gz GRMDXAOCSKEERN-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO CCCCCCCCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000818001536 1042133257 /nfs/dbraw/zinc/13/32/57/1042133257.db2.gz LTDWNNRQRQCUBR-QZTJIDSGSA-N 1 0 308.510 4.118 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1 ZINC000817968917 1042134690 /nfs/dbraw/zinc/13/46/90/1042134690.db2.gz YUTQEXKOGGZDGY-QVKFZJNVSA-N 1 0 320.436 4.009 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170909986 1042154863 /nfs/dbraw/zinc/15/48/63/1042154863.db2.gz XTMXDHCWJPRCNR-FOIQADDNSA-N 1 0 322.839 4.346 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000121845584 1042157808 /nfs/dbraw/zinc/15/78/08/1042157808.db2.gz OEBPOJSMNQKWEF-VLIAUNLRSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819210739 1042175222 /nfs/dbraw/zinc/17/52/22/1042175222.db2.gz JLSQSMDFWYQSQK-IUODEOHRSA-N 1 0 301.352 4.073 20 30 DIEDRO C=C(C)CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001136228563 1042185381 /nfs/dbraw/zinc/18/53/81/1042185381.db2.gz OLDOCOVNIXSYJY-QGZVFWFLSA-N 1 0 314.473 4.034 20 30 DIEDRO CC(=[NH+]N[C@@H](C)c1ccncc1)c1ccc(N2CCCCC2)cc1 ZINC000819815055 1042195992 /nfs/dbraw/zinc/19/59/92/1042195992.db2.gz LHIPHEWCFPNITA-KRWDZBQOSA-N 1 0 322.456 4.147 20 30 DIEDRO C=C(C)C(C)(C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001136279919 1042199321 /nfs/dbraw/zinc/19/93/21/1042199321.db2.gz XALQZAUPJBUOMU-UHFFFAOYSA-N 1 0 314.473 4.459 20 30 DIEDRO N#Cc1csc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000584687750 1042206126 /nfs/dbraw/zinc/20/61/26/1042206126.db2.gz LUECFJVYIXMHSE-OTWHNJEPSA-N 1 0 308.450 4.388 20 30 DIEDRO C=CC1(CC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCCCC1 ZINC001136398813 1042237098 /nfs/dbraw/zinc/23/70/98/1042237098.db2.gz XDFDWTDPVHVBAJ-KRWDZBQOSA-N 1 0 320.521 4.140 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000569943298 1042242023 /nfs/dbraw/zinc/24/20/23/1042242023.db2.gz BNZACEQJOCHIPE-IBGZPJMESA-N 1 0 312.457 4.260 20 30 DIEDRO CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1F ZINC000585762746 1042244487 /nfs/dbraw/zinc/24/44/87/1042244487.db2.gz ADCUDDNSMAWLQX-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000585764846 1042245434 /nfs/dbraw/zinc/24/54/34/1042245434.db2.gz QPGSRPUVZXBPIO-MXKXFIQMSA-N 1 0 320.436 4.410 20 30 DIEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000585767190 1042245591 /nfs/dbraw/zinc/24/55/91/1042245591.db2.gz JSFLGLBJOBKRGX-LSDHHAIUSA-N 1 0 310.363 4.481 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)N([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC001136428244 1042245750 /nfs/dbraw/zinc/24/57/50/1042245750.db2.gz QPYLEIAACXPLOO-MRXNPFEDSA-N 1 0 322.452 4.010 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000393448038 1042255912 /nfs/dbraw/zinc/25/59/12/1042255912.db2.gz JFADXHASARSVCQ-UHFFFAOYSA-N 1 0 313.363 4.462 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2OC)C(C)C)cc1 ZINC000182053235 1042264702 /nfs/dbraw/zinc/26/47/02/1042264702.db2.gz XLZUEUQGDPHIBE-FQEVSTJZSA-N 1 0 324.424 4.062 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000772858727 1042284221 /nfs/dbraw/zinc/28/42/21/1042284221.db2.gz VQRQDTCNNNZDAY-OALUTQOASA-N 1 0 317.379 4.295 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000822433235 1042285645 /nfs/dbraw/zinc/28/56/45/1042285645.db2.gz LHTNIXSXWNXHSZ-KSZLIROESA-N 1 0 308.510 4.116 20 30 DIEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001170990254 1042291056 /nfs/dbraw/zinc/29/10/56/1042291056.db2.gz JSKJRWBZVARYAK-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000187178196 1042306367 /nfs/dbraw/zinc/30/63/67/1042306367.db2.gz LAXLCVAXZVZZRZ-SFHVURJKSA-N 1 0 316.514 4.080 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000163319874 1042311341 /nfs/dbraw/zinc/31/13/41/1042311341.db2.gz DUHKYIXTPKYRDI-RISCZKNCSA-N 1 0 310.235 4.217 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000436282625 1042325612 /nfs/dbraw/zinc/32/56/12/1042325612.db2.gz HUWUSQDWAYTSFD-JEXVJZPNSA-N 1 0 319.411 4.314 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2c(Cl)cccc2C1)c1cccc(C#N)c1 ZINC001171016928 1042327079 /nfs/dbraw/zinc/32/70/79/1042327079.db2.gz CJYRXVVODLEIBE-GUYCJALGSA-N 1 0 310.828 4.420 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000823574101 1042333219 /nfs/dbraw/zinc/33/32/19/1042333219.db2.gz SONAZNTXUFQWNP-QGZVFWFLSA-N 1 0 314.473 4.147 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(OC)ccc2C1)c1ccc(C#N)cc1 ZINC000618575650 1042334310 /nfs/dbraw/zinc/33/43/10/1042334310.db2.gz USROKWQGTUXUSN-PZJWPPBQSA-N 1 0 320.436 4.165 20 30 DIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236865681 1042349182 /nfs/dbraw/zinc/34/91/82/1042349182.db2.gz IGXLEMOWHKNHHJ-WDYCEAGBSA-N 1 0 300.446 4.426 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187422381 1042352834 /nfs/dbraw/zinc/35/28/34/1042352834.db2.gz ZEPZSQUCEKTOFL-WDEREUQCSA-N 1 0 315.230 4.379 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236829793 1042371927 /nfs/dbraw/zinc/37/19/27/1042371927.db2.gz VQHWRPNTZHUCAU-MRXNPFEDSA-N 1 0 324.424 4.056 20 30 DIEDRO C=CC(C)(C)[NH2+]C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001207753170 1042392335 /nfs/dbraw/zinc/39/23/35/1042392335.db2.gz SNYGIUQLZICJGX-CQSZACIVSA-N 1 0 312.498 4.260 20 30 DIEDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237538569 1042377969 /nfs/dbraw/zinc/37/79/69/1042377969.db2.gz PKZGODGKGPDTSW-IRXDYDNUSA-N 1 0 300.446 4.285 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932204199 1042379867 /nfs/dbraw/zinc/37/98/67/1042379867.db2.gz OXIRBJJTPWQQHN-OAHLLOKOSA-N 1 0 305.491 4.118 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932204198 1042379880 /nfs/dbraw/zinc/37/98/80/1042379880.db2.gz OXIRBJJTPWQQHN-HNNXBMFYSA-N 1 0 305.491 4.118 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000067120245 1042417429 /nfs/dbraw/zinc/41/74/29/1042417429.db2.gz TVEPETMEKNNPMG-UHFFFAOYSA-N 1 0 322.742 4.103 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160592 1042417863 /nfs/dbraw/zinc/41/78/63/1042417863.db2.gz JQWGMJAGGIVSIC-UHFFFAOYSA-N 1 0 310.416 4.301 20 30 DIEDRO COc1ccccc1C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160400 1042418294 /nfs/dbraw/zinc/41/82/94/1042418294.db2.gz ZJTLIXXZTZXVLI-UHFFFAOYSA-N 1 0 308.425 4.128 20 30 DIEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000614163975 1042418846 /nfs/dbraw/zinc/41/88/46/1042418846.db2.gz YXLPBEKRVXTSID-UFYCRDLUSA-N 1 0 312.457 4.119 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](CC)c2cc(F)ccc2F)cc1 ZINC000236942645 1042419730 /nfs/dbraw/zinc/41/97/30/1042419730.db2.gz RVWZFDLNZLDTEK-IBGZPJMESA-N 1 0 315.363 4.218 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178685025 1042420458 /nfs/dbraw/zinc/42/04/58/1042420458.db2.gz NLHXCKFUGSCNHI-CABCVRRESA-N 1 0 324.380 4.019 20 30 DIEDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614170510 1042421469 /nfs/dbraw/zinc/42/14/69/1042421469.db2.gz APBWSKSAIHWDQR-LJQANCHMSA-N 1 0 307.441 4.163 20 30 DIEDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178509 1042422695 /nfs/dbraw/zinc/42/26/95/1042422695.db2.gz IULKSNLXEBDMFX-IBGZPJMESA-N 1 0 307.441 4.466 20 30 DIEDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178423 1042422707 /nfs/dbraw/zinc/42/27/07/1042422707.db2.gz BSSKYGAIKWJBSP-SFHVURJKSA-N 1 0 322.456 4.165 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000614176632 1042423068 /nfs/dbraw/zinc/42/30/68/1042423068.db2.gz GWNLTXNXCZXWSG-UHFFFAOYSA-N 1 0 308.400 4.185 20 30 DIEDRO C[N@H+](Cc1ccsc1)Cc1cccc(OCCCC#N)c1 ZINC000120463981 1042433276 /nfs/dbraw/zinc/43/32/76/1042433276.db2.gz SDINLBOLRXGNKN-UHFFFAOYSA-N 1 0 300.427 4.063 20 30 DIEDRO COc1ccccc1[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411291517 1042436503 /nfs/dbraw/zinc/43/65/03/1042436503.db2.gz KVXFEXRPVUFYGG-KRWDZBQOSA-N 1 0 312.457 4.349 20 30 DIEDRO Cc1cnc([C@@H]([NH2+]CCC2(C#N)CCCCC2)C2CC2)s1 ZINC000411516501 1042455106 /nfs/dbraw/zinc/45/51/06/1042455106.db2.gz KDEPUGSXERSMRS-HNNXBMFYSA-N 1 0 303.475 4.356 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411542236 1042456518 /nfs/dbraw/zinc/45/65/18/1042456518.db2.gz IRZRNVKCENRZEA-HNNXBMFYSA-N 1 0 316.493 4.461 20 30 DIEDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411539466 1042456691 /nfs/dbraw/zinc/45/66/91/1042456691.db2.gz CTVYSLFJUYVNLW-UHFFFAOYSA-N 1 0 324.472 4.262 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(Cl)cc1 ZINC000182307545 1042480249 /nfs/dbraw/zinc/48/02/49/1042480249.db2.gz AXPIZAFGWNELOY-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)cc1 ZINC000614395947 1042491115 /nfs/dbraw/zinc/49/11/15/1042491115.db2.gz CCIXLSTUHFXJAV-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000614409969 1042492838 /nfs/dbraw/zinc/49/28/38/1042492838.db2.gz GQYZEXGLISVCTF-ZDUSSCGKSA-N 1 0 307.422 4.327 20 30 DIEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000265657253 1042493717 /nfs/dbraw/zinc/49/37/17/1042493717.db2.gz QFGPLZMSANLUSB-CRAIPNDOSA-N 1 0 306.409 4.117 20 30 DIEDRO CC(C)c1ccc(C[N@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000729267133 1042517014 /nfs/dbraw/zinc/51/70/14/1042517014.db2.gz KCFXIISXCYCZQY-UHFFFAOYSA-N 1 0 308.425 4.344 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000729267318 1042517390 /nfs/dbraw/zinc/51/73/90/1042517390.db2.gz QZBPXWGROWEQSQ-FQEVSTJZSA-N 1 0 306.409 4.235 20 30 DIEDRO C=C1CC[NH+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 ZINC000513485085 1042548301 /nfs/dbraw/zinc/54/83/01/1042548301.db2.gz NYYWNTHEZZDRGA-UHFFFAOYSA-N 1 0 309.457 4.009 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000513511722 1042549686 /nfs/dbraw/zinc/54/96/86/1042549686.db2.gz KRTSOIYBXUMBDJ-FOWTUZBSSA-N 1 0 318.892 4.373 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C)cc1O ZINC000280156243 1042566065 /nfs/dbraw/zinc/56/60/65/1042566065.db2.gz QLAYEIWKQHOUNC-SFHVURJKSA-N 1 0 306.409 4.302 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000618805336 1042610458 /nfs/dbraw/zinc/61/04/58/1042610458.db2.gz GMGJYILLTNZCLR-VQTJNVASSA-N 1 0 301.393 4.158 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618805977 1042611955 /nfs/dbraw/zinc/61/19/55/1042611955.db2.gz LNESQDKWDDVCKA-DJJJIMSYSA-N 1 0 321.380 4.113 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(F)c1 ZINC000618807110 1042621103 /nfs/dbraw/zinc/62/11/03/1042621103.db2.gz SUUXOZIBOGFSEI-CWTRNNRKSA-N 1 0 310.372 4.044 20 30 DIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000421356821 1042631504 /nfs/dbraw/zinc/63/15/04/1042631504.db2.gz YOXRBJJODNMEGX-UHFFFAOYSA-N 1 0 300.427 4.088 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421351700 1042631834 /nfs/dbraw/zinc/63/18/34/1042631834.db2.gz OMQHRZCQSQULJI-LBPRGKRZSA-N 1 0 302.468 4.062 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c(OCC2CC2)c1 ZINC000421338803 1042632383 /nfs/dbraw/zinc/63/23/83/1042632383.db2.gz DOZOTIOLZHWROQ-UHFFFAOYSA-N 1 0 324.399 4.084 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)C)c(F)c1 ZINC000421819044 1042655986 /nfs/dbraw/zinc/65/59/86/1042655986.db2.gz DUNMJCXKSYTHAW-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c(Cl)cccc32)s1 ZINC000421871753 1042661476 /nfs/dbraw/zinc/66/14/76/1042661476.db2.gz GECCYSIYBLQCGN-INIZCTEOSA-N 1 0 302.830 4.440 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1 ZINC000423352409 1042707510 /nfs/dbraw/zinc/70/75/10/1042707510.db2.gz KNISCUCNWGNGSR-UXHICEINSA-N 1 0 305.425 4.259 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC2CCCCC2)ccc1OC ZINC000504506073 1042723504 /nfs/dbraw/zinc/72/35/04/1042723504.db2.gz LMLNRRXTTBYJGX-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000424119837 1042726017 /nfs/dbraw/zinc/72/60/17/1042726017.db2.gz DGRAEYPWSFKYHV-PGUXBMHVSA-N 1 0 300.229 4.235 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000424290373 1042731683 /nfs/dbraw/zinc/73/16/83/1042731683.db2.gz BNNWCVYZMFGPSH-WQGACYEGSA-N 1 0 314.256 4.105 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000424300612 1042732544 /nfs/dbraw/zinc/73/25/44/1042732544.db2.gz YBHCSSRGBSICIW-ZVZYQTTQSA-N 1 0 303.446 4.106 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000424329108 1042734604 /nfs/dbraw/zinc/73/46/04/1042734604.db2.gz PAAMDQXSGKPYCN-NILFDRSVSA-N 1 0 307.235 4.182 20 30 DIEDRO C=CCC[C@@H](NC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424437837 1042739728 /nfs/dbraw/zinc/73/97/28/1042739728.db2.gz OWMPLMUDPFZIJI-LJQANCHMSA-N 1 0 323.440 4.283 20 30 DIEDRO C=C(C)C[NH+]1CCC(N[C@H](CCC)c2ncccc2Cl)CC1 ZINC000924985328 1042782264 /nfs/dbraw/zinc/78/22/64/1042782264.db2.gz IFLKVZJPABGIQO-QGZVFWFLSA-N 1 0 321.896 4.206 20 30 DIEDRO C=C(C)C[NH+]1CCC(N[C@@H](CCC)c2ncccc2Cl)CC1 ZINC000924985323 1042782519 /nfs/dbraw/zinc/78/25/19/1042782519.db2.gz IFLKVZJPABGIQO-KRWDZBQOSA-N 1 0 321.896 4.206 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000514818340 1042792779 /nfs/dbraw/zinc/79/27/79/1042792779.db2.gz PXRPDVMMVAXKTG-JDFRZJQESA-N 1 0 309.450 4.179 20 30 DIEDRO C[C@H](CC1CCOCC1)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425365176 1042797615 /nfs/dbraw/zinc/79/76/15/1042797615.db2.gz JESGYVSKBSJDNY-CVEARBPZSA-N 1 0 300.446 4.004 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](C)CC1CCOCC1 ZINC000425365180 1042798074 /nfs/dbraw/zinc/79/80/74/1042798074.db2.gz JESGYVSKBSJDNY-JKSUJKDBSA-N 1 0 300.446 4.004 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1C(C)=CCC[C@H]1C ZINC000515017418 1042805613 /nfs/dbraw/zinc/80/56/13/1042805613.db2.gz AFRSCMDSLDXUBV-APWZRJJASA-N 1 0 303.446 4.142 20 30 DIEDRO CCC(CC)n1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425529632 1042837572 /nfs/dbraw/zinc/83/75/72/1042837572.db2.gz CGSWDXJKUCHILK-HNNXBMFYSA-N 1 0 310.445 4.309 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(CC#N)cc1 ZINC000516866564 1042858101 /nfs/dbraw/zinc/85/81/01/1042858101.db2.gz FBCMSUTXDVDESZ-GHRIWEEISA-N 1 0 320.436 4.092 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000517042842 1042864377 /nfs/dbraw/zinc/86/43/77/1042864377.db2.gz DYHKGUMQRXMJHS-OAHLLOKOSA-N 1 0 308.347 4.113 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)ccc1C#N ZINC000517054311 1042864998 /nfs/dbraw/zinc/86/49/98/1042864998.db2.gz GLEIKHHKYFLSOM-IYBDPMFKSA-N 1 0 310.363 4.420 20 30 DIEDRO CC[N@H+](Cc1cc(F)ccc1C#N)[C@@H](C)Cc1ccsc1 ZINC000425922209 1042874395 /nfs/dbraw/zinc/87/43/95/1042874395.db2.gz QUXYPPALKZIEOO-ZDUSSCGKSA-N 1 0 302.418 4.212 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000519294661 1042942979 /nfs/dbraw/zinc/94/29/79/1042942979.db2.gz VONNKDDDYLGHCJ-WBVHZDCISA-N 1 0 316.408 4.012 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1ccncc1 ZINC000925074768 1042964557 /nfs/dbraw/zinc/96/45/57/1042964557.db2.gz KBECQXRGCLRLGI-SJORKVTESA-N 1 0 313.832 4.414 20 30 DIEDRO CC[N@H+](Cc1cccs1)Cc1cccc(OCCCC#N)c1 ZINC000119992582 1042990199 /nfs/dbraw/zinc/99/01/99/1042990199.db2.gz CTHQTFAOSKJRIO-UHFFFAOYSA-N 1 0 314.454 4.453 20 30 DIEDRO CC(C)[C@H](NCc1nc(C#N)cs1)c1ccc(Cl)cc1F ZINC000519619144 1042996895 /nfs/dbraw/zinc/99/68/95/1042996895.db2.gz XLXMHUQEELTFRD-HNNXBMFYSA-N 1 0 323.824 4.294 20 30 DIEDRO CCc1nocc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000519747534 1043000697 /nfs/dbraw/zinc/00/06/97/1043000697.db2.gz BEZXKOZOXNHQIG-UHFFFAOYSA-N 1 0 317.392 4.065 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCOc2ccccc2C#N)C1 ZINC000441320843 1043035278 /nfs/dbraw/zinc/03/52/78/1043035278.db2.gz DATMMZVDALCQTI-DNVCBOLYSA-N 1 0 324.399 4.159 20 30 DIEDRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000173882874 1043055205 /nfs/dbraw/zinc/05/52/05/1043055205.db2.gz CKTZSBIKLJCTRP-UWJYYQICSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000174001109 1043057422 /nfs/dbraw/zinc/05/74/22/1043057422.db2.gz PIJYVYMONRIQLC-ZLGUVYLKSA-N 1 0 320.436 4.377 20 30 DIEDRO CCCOCc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000173956831 1043057653 /nfs/dbraw/zinc/05/76/53/1043057653.db2.gz ILVGFZLNHBONOA-MRXNPFEDSA-N 1 0 308.425 4.336 20 30 DIEDRO C[C@@H]([NH2+]CC1(C)CCC(C)CC1)c1ccc(OCC#N)cc1 ZINC000794831389 1043067246 /nfs/dbraw/zinc/06/72/46/1043067246.db2.gz DCSRAZZMTSRTGP-KOHRHEQBSA-N 1 0 300.446 4.456 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cc(F)ccc1F ZINC000320010600 1043078355 /nfs/dbraw/zinc/07/83/55/1043078355.db2.gz FBFYMIJGZVNLNL-QWHCGFSZSA-N 1 0 316.351 4.279 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccnc2F)cc1 ZINC000794836476 1043083804 /nfs/dbraw/zinc/08/38/04/1043083804.db2.gz POMILWRWBKYUDA-ZDUSSCGKSA-N 1 0 320.795 4.203 20 30 DIEDRO CCOc1cc(F)cc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000865508851 1043106263 /nfs/dbraw/zinc/10/62/63/1043106263.db2.gz MORHFGKYXILGFD-LJQANCHMSA-N 1 0 312.388 4.359 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000178643532 1043135255 /nfs/dbraw/zinc/13/52/55/1043135255.db2.gz SOJAYXHRALOTFO-ZIAGYGMSSA-N 1 0 310.445 4.230 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000179435765 1043145395 /nfs/dbraw/zinc/14/53/95/1043145395.db2.gz WHZFBCNBWFDKHR-MRXNPFEDSA-N 1 0 320.314 4.411 20 30 DIEDRO C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000866294345 1043175390 /nfs/dbraw/zinc/17/53/90/1043175390.db2.gz HKQULQKLRAZWHV-VBKZILBWSA-N 1 0 324.399 4.141 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](c2ccccn2)C(C)C)c1 ZINC000866296339 1043175527 /nfs/dbraw/zinc/17/55/27/1043175527.db2.gz BABPFSARESOFQF-PXNSSMCTSA-N 1 0 323.440 4.249 20 30 DIEDRO C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000866294344 1043176327 /nfs/dbraw/zinc/17/63/27/1043176327.db2.gz HKQULQKLRAZWHV-JLTOFOAXSA-N 1 0 324.399 4.141 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866351667 1043185814 /nfs/dbraw/zinc/18/58/14/1043185814.db2.gz RMIZRFZTXHCCGY-IBGZPJMESA-N 1 0 305.425 4.039 20 30 DIEDRO C[C@H](CCc1cncc2ccccc21)[NH2+]CC(C)(C)CCC#N ZINC000866357657 1043187467 /nfs/dbraw/zinc/18/74/67/1043187467.db2.gz UIAUXLUFLBZVMB-MRXNPFEDSA-N 1 0 309.457 4.475 20 30 DIEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184698576 1043189371 /nfs/dbraw/zinc/18/93/71/1043189371.db2.gz RXMYFLXPHRRMPT-RDJZCZTQSA-N 1 0 324.428 4.057 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000866428040 1043202181 /nfs/dbraw/zinc/20/21/81/1043202181.db2.gz ZDQRNZZPEDKQGE-CYBMUJFWSA-N 1 0 323.868 4.034 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000866445016 1043203634 /nfs/dbraw/zinc/20/36/34/1043203634.db2.gz GPINJQVJRXFJRV-HNNXBMFYSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc(C#N)cc1F ZINC000866450320 1043203921 /nfs/dbraw/zinc/20/39/21/1043203921.db2.gz FLYKDXLEBGTEEN-IUDNXUCKSA-N 1 0 318.436 4.474 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000866535537 1043219233 /nfs/dbraw/zinc/21/92/33/1043219233.db2.gz VBKCZDZELHEHJD-VBNZEHGJSA-N 1 0 308.347 4.354 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000866539240 1043219272 /nfs/dbraw/zinc/21/92/72/1043219272.db2.gz ABWWPVIYTZCGOW-QGZVFWFLSA-N 1 0 309.369 4.016 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000866610491 1043234192 /nfs/dbraw/zinc/23/41/92/1043234192.db2.gz UJNGZYMJTVKURO-PSOPSSQASA-N 1 0 312.310 4.245 20 30 DIEDRO CCSc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000614638152 1043250727 /nfs/dbraw/zinc/25/07/27/1043250727.db2.gz CPKOJAPWRKUQSX-SFHVURJKSA-N 1 0 323.465 4.232 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000121772035 1043260914 /nfs/dbraw/zinc/26/09/14/1043260914.db2.gz TUWFWZLFIGXHKA-RTBURBONSA-N 1 0 324.424 4.020 20 30 DIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCCSCC#N ZINC000266791018 1043302337 /nfs/dbraw/zinc/30/23/37/1043302337.db2.gz ZQYUBSKIPYZFHF-LBPRGKRZSA-N 1 0 316.392 4.345 20 30 DIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCSCC#N ZINC000266755695 1043302836 /nfs/dbraw/zinc/30/28/36/1043302836.db2.gz ROPPQAKTWQNFGF-LBPRGKRZSA-N 1 0 316.392 4.345 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000268881699 1043341352 /nfs/dbraw/zinc/34/13/52/1043341352.db2.gz AZIZIZSACHCMBZ-KDOFPFPSSA-N 1 0 324.424 4.377 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)CCCC1 ZINC001271024744 1043368286 /nfs/dbraw/zinc/36/82/86/1043368286.db2.gz UADYBLMGMKMBIH-UHFFFAOYSA-N 1 0 320.864 4.477 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000521337869 1043387372 /nfs/dbraw/zinc/38/73/72/1043387372.db2.gz MXSJHONQGHSRGU-UHFFFAOYSA-N 1 0 300.490 4.114 20 30 DIEDRO Cc1cccc(COc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)c1 ZINC000442711154 1043407676 /nfs/dbraw/zinc/40/76/76/1043407676.db2.gz DPBONPIVZRUGAD-AZUAARDMSA-N 1 0 320.436 4.356 20 30 DIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442763473 1043412621 /nfs/dbraw/zinc/41/26/21/1043412621.db2.gz GRNXOYGMSODQAO-RYRKJORJSA-N 1 0 300.446 4.454 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000442771864 1043414337 /nfs/dbraw/zinc/41/43/37/1043414337.db2.gz UPWOJCSKDIXTPO-YJBOKZPZSA-N 1 0 310.466 4.355 20 30 DIEDRO CCOc1ccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000442779281 1043416148 /nfs/dbraw/zinc/41/61/48/1043416148.db2.gz LTBBFSXYILSDJB-NBHGPNQESA-N 1 0 320.436 4.457 20 30 DIEDRO CCC(CC)(C[NH2+][C@@H]1CC[C@H](C#N)C1)N[C@@H](C)c1ccccc1 ZINC000442774345 1043416214 /nfs/dbraw/zinc/41/62/14/1043416214.db2.gz AHCHZIRRDYCZLI-JENIJYKNSA-N 1 0 313.489 4.178 20 30 DIEDRO COc1ccc(-c2csc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)cc1 ZINC000442780136 1043416885 /nfs/dbraw/zinc/41/68/85/1043416885.db2.gz FTBMSMHTNSDFLW-CZUORRHYSA-N 1 0 312.438 4.206 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000442786079 1043418866 /nfs/dbraw/zinc/41/88/66/1043418866.db2.gz SOWJTGYJMYSIAN-UXHICEINSA-N 1 0 320.436 4.090 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000442782622 1043418893 /nfs/dbraw/zinc/41/88/93/1043418893.db2.gz LMHWLDVUNMRETK-RHSMWYFYSA-N 1 0 302.849 4.434 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000442782624 1043419282 /nfs/dbraw/zinc/41/92/82/1043419282.db2.gz LMHWLDVUNMRETK-YOEHRIQHSA-N 1 0 302.849 4.434 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)C1CC1 ZINC000271450639 1043419552 /nfs/dbraw/zinc/41/95/52/1043419552.db2.gz FRZSCVWBCSMCDJ-MRXNPFEDSA-N 1 0 313.470 4.082 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000925517438 1043423210 /nfs/dbraw/zinc/42/32/10/1043423210.db2.gz GUINIQXINPRAII-NSHDSACASA-N 1 0 321.877 4.410 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000442817025 1043429441 /nfs/dbraw/zinc/42/94/41/1043429441.db2.gz LPSCNMPAQRAJEP-UXHICEINSA-N 1 0 320.436 4.090 20 30 DIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)CC(C)(C)C#N)c(C)c1 ZINC000925596481 1043435794 /nfs/dbraw/zinc/43/57/94/1043435794.db2.gz WQLORIJWCWTYGQ-IEBWSBKVSA-N 1 0 324.472 4.159 20 30 DIEDRO CC(C)[C@H](COCc1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000442865408 1043438793 /nfs/dbraw/zinc/43/87/93/1043438793.db2.gz IGWKFCLECBQXJF-QLOJAFMTSA-N 1 0 314.473 4.147 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000442866245 1043439498 /nfs/dbraw/zinc/43/94/98/1043439498.db2.gz WAAXISZLOAJRPR-UONOGXRCSA-N 1 0 304.384 4.058 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000442866243 1043439375 /nfs/dbraw/zinc/43/93/75/1043439375.db2.gz WAAXISZLOAJRPR-KGLIPLIRSA-N 1 0 304.384 4.058 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccnn1CC1CCC1)c1ccccc1 ZINC000925638237 1043442671 /nfs/dbraw/zinc/44/26/71/1043442671.db2.gz YXWMJDWISXXTLU-QFBILLFUSA-N 1 0 307.441 4.098 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000558173907 1043451047 /nfs/dbraw/zinc/45/10/47/1043451047.db2.gz BNHSMZWPBOXJGC-IBGZPJMESA-N 1 0 308.425 4.344 20 30 DIEDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000558184004 1043453123 /nfs/dbraw/zinc/45/31/23/1043453123.db2.gz VZYJMPBSEWOMES-FZNQNYSPSA-N 1 0 313.338 4.230 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000872100460 1043459035 /nfs/dbraw/zinc/45/90/35/1043459035.db2.gz JFMISVLHXLRXIN-ZDUSSCGKSA-N 1 0 323.868 4.034 20 30 DIEDRO COCC(C)(C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000872104902 1043461206 /nfs/dbraw/zinc/46/12/06/1043461206.db2.gz UIIUBCJNQYCXPK-UHFFFAOYSA-N 1 0 314.473 4.043 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000872139878 1043477184 /nfs/dbraw/zinc/47/71/84/1043477184.db2.gz RSENMEKKVAWDBF-SZMVWBNQSA-N 1 0 310.466 4.209 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)ccc1F ZINC000521821337 1043486530 /nfs/dbraw/zinc/48/65/30/1043486530.db2.gz FHMCCOAWJHJGFG-UHFFFAOYSA-N 1 0 321.399 4.227 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000925953931 1043498853 /nfs/dbraw/zinc/49/88/53/1043498853.db2.gz TXMJGDRFHRKRRK-INIZCTEOSA-N 1 0 300.446 4.044 20 30 DIEDRO CC1(C)C[C@@H]([N@H+](CCCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000349388360 1043504666 /nfs/dbraw/zinc/50/46/66/1043504666.db2.gz WCDNNDRFGBJHKB-QGZVFWFLSA-N 1 0 300.446 4.138 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(F)c(F)c(F)c1 ZINC000521937995 1043510543 /nfs/dbraw/zinc/51/05/43/1043510543.db2.gz GZOQGJWYDNHNRG-NSHDSACASA-N 1 0 304.315 4.021 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C(F)(F)F)s2)ccc1C#N ZINC000873154223 1043518043 /nfs/dbraw/zinc/51/80/43/1043518043.db2.gz BYDNMQRDHNUGGD-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)CC2 ZINC000558497273 1043521095 /nfs/dbraw/zinc/52/10/95/1043521095.db2.gz NHFIFBQEZUYOPF-KRWDZBQOSA-N 1 0 316.326 4.354 20 30 DIEDRO Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCc4ccc(C#N)cc43)c21 ZINC000558503888 1043523645 /nfs/dbraw/zinc/52/36/45/1043523645.db2.gz GPTORZQSBZVADD-LJQANCHMSA-N 1 0 315.420 4.168 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccco1 ZINC000558508980 1043524932 /nfs/dbraw/zinc/52/49/32/1043524932.db2.gz LBKMKQHSNKNJRU-CMKODMSKSA-N 1 0 311.425 4.043 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC001307832035 1043571763 /nfs/dbraw/zinc/57/17/63/1043571763.db2.gz HPWCDFQPAUJWHW-UHFFFAOYSA-N 1 0 319.246 4.133 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](Cc1ccccn1)c1ccccc1 ZINC000926212214 1043546899 /nfs/dbraw/zinc/54/68/99/1043546899.db2.gz CHYJSXMGMVKVBO-VQIMIIECSA-N 1 0 307.441 4.283 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cs1 ZINC000895186108 1043553445 /nfs/dbraw/zinc/55/34/45/1043553445.db2.gz HGHIDFOWUSBBMQ-FHWLQOOXSA-N 1 0 324.449 4.114 20 30 DIEDRO CC(C)Cc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000895215886 1043566645 /nfs/dbraw/zinc/56/66/45/1043566645.db2.gz RWVHRRYFGHWTGX-UHFFFAOYSA-N 1 0 319.452 4.321 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000926344477 1043567249 /nfs/dbraw/zinc/56/72/49/1043567249.db2.gz WTHOIHZITAUBOH-JBACZVJFSA-N 1 0 322.452 4.050 20 30 DIEDRO C=CCCC[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000443465505 1043568904 /nfs/dbraw/zinc/56/89/04/1043568904.db2.gz XOIWFENJLLGJBV-HXUWFJFHSA-N 1 0 311.425 4.349 20 30 DIEDRO CCC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ncccc1Cl ZINC000926355446 1043569188 /nfs/dbraw/zinc/56/91/88/1043569188.db2.gz HREHEUQIUQLTOG-XUJLQICISA-N 1 0 305.853 4.496 20 30 DIEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H](C)CCC=C(C)C ZINC001275067111 1043570220 /nfs/dbraw/zinc/57/02/20/1043570220.db2.gz OGAYUIQMEHYFSJ-UYAOXDASSA-N 1 0 318.505 4.012 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccnn2C2CCC2)cc1 ZINC000926399902 1043571801 /nfs/dbraw/zinc/57/18/01/1043571801.db2.gz DBOKCODMGIBGCF-HNNXBMFYSA-N 1 0 311.429 4.024 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@H+]2CC[C@@H](C)CCC=C(C)C)C1=O ZINC001275123537 1043575713 /nfs/dbraw/zinc/57/57/13/1043575713.db2.gz HIUABNHVDQEXBX-AZUAARDMSA-N 1 0 318.505 4.012 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@]2(CCN(CC3CCCC3)C2=O)C1 ZINC001275113747 1043576948 /nfs/dbraw/zinc/57/69/48/1043576948.db2.gz IDHAIVDYAYHNHF-FQEVSTJZSA-N 1 0 320.521 4.071 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000926482058 1043584954 /nfs/dbraw/zinc/58/49/54/1043584954.db2.gz XHVXJRSMKZYFOR-ZCNNSNEGSA-N 1 0 311.473 4.028 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOc3c(Cl)cccc31)CC2 ZINC000353248059 1043593341 /nfs/dbraw/zinc/59/33/41/1043593341.db2.gz AJFUBUHUBXJSMA-ZWKOTPCHSA-N 1 0 324.811 4.312 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353274788 1043594758 /nfs/dbraw/zinc/59/47/58/1043594758.db2.gz PDHMZLGHNUZGRI-VQTJNVASSA-N 1 0 318.420 4.221 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000926592453 1043604328 /nfs/dbraw/zinc/60/43/28/1043604328.db2.gz VEHJPPLSLHJHDR-WMZOPIPTSA-N 1 0 309.457 4.057 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926603048 1043605602 /nfs/dbraw/zinc/60/56/02/1043605602.db2.gz RNJPCTNYMOWRGI-MSOLQXFVSA-N 1 0 323.827 4.261 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000926828334 1043639329 /nfs/dbraw/zinc/63/93/29/1043639329.db2.gz FYQLOABTSQUAHQ-VIFPVBQESA-N 1 0 319.758 4.172 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc2c1OCO2 ZINC000926603535 1043605852 /nfs/dbraw/zinc/60/58/52/1043605852.db2.gz VIQPHACTZKEEFF-UGSOOPFHSA-N 1 0 320.392 4.015 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926603050 1043606569 /nfs/dbraw/zinc/60/65/69/1043606569.db2.gz RNJPCTNYMOWRGI-ROUUACIJSA-N 1 0 323.827 4.261 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc2ccccc2c(OC)c1 ZINC000926609801 1043607341 /nfs/dbraw/zinc/60/73/41/1043607341.db2.gz AYVFTEZROVQSRT-ALKREAHSSA-N 1 0 311.425 4.090 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000320192796 1043609195 /nfs/dbraw/zinc/60/91/95/1043609195.db2.gz APIDAOTVMHJOIH-OAHLLOKOSA-N 1 0 300.450 4.133 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccnn1C1CCC1 ZINC000926671961 1043614162 /nfs/dbraw/zinc/61/41/62/1043614162.db2.gz RDWYGEHUKYHKGU-OAHLLOKOSA-N 1 0 320.440 4.210 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000926701560 1043617937 /nfs/dbraw/zinc/61/79/37/1043617937.db2.gz AKGGIQKXPLBXQS-SFHVURJKSA-N 1 0 316.832 4.007 20 30 DIEDRO CCC1(CC)CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000353609790 1043623499 /nfs/dbraw/zinc/62/34/99/1043623499.db2.gz PHMPSHHWTQFPTM-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO C=CCC[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccco1 ZINC000353623737 1043625699 /nfs/dbraw/zinc/62/56/99/1043625699.db2.gz RUJPLHKXNSFIMD-HOTGVXAUSA-N 1 0 313.397 4.107 20 30 DIEDRO COc1cc(C[NH2+][C@@H](CCC(C)C)c2ccoc2)ccc1C#N ZINC000353639749 1043626585 /nfs/dbraw/zinc/62/65/85/1043626585.db2.gz FEWZROPXBWAKOA-SFHVURJKSA-N 1 0 312.413 4.427 20 30 DIEDRO COc1cc(C[NH2+][C@H](CCC(C)C)c2ccoc2)ccc1C#N ZINC000353639748 1043627867 /nfs/dbraw/zinc/62/78/67/1043627867.db2.gz FEWZROPXBWAKOA-GOSISDBHSA-N 1 0 312.413 4.427 20 30 DIEDRO C=C(C)COc1cc(C[N@@H+]2CCC3(CCC3)C2)ccc1OC ZINC000353679521 1043632333 /nfs/dbraw/zinc/63/23/33/1043632333.db2.gz HEHKPBOEGVMIII-UHFFFAOYSA-N 1 0 301.430 4.026 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000353696737 1043634085 /nfs/dbraw/zinc/63/40/85/1043634085.db2.gz BNEGINAMNQHMIB-UHFFFAOYSA-N 1 0 301.409 4.026 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1C ZINC000926902550 1043652697 /nfs/dbraw/zinc/65/26/97/1043652697.db2.gz GNUUQNLHCBKRAV-KBPBESRZSA-N 1 0 312.388 4.426 20 30 DIEDRO Cn1c2ccccc2nc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353916960 1043657561 /nfs/dbraw/zinc/65/75/61/1043657561.db2.gz SKLBXFAFUFFJAW-QGZVFWFLSA-N 1 0 318.424 4.098 20 30 DIEDRO COc1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc(OC)c1 ZINC000353917187 1043658101 /nfs/dbraw/zinc/65/81/01/1043658101.db2.gz SULNCRWSWXYFQC-FQEVSTJZSA-N 1 0 324.424 4.229 20 30 DIEDRO Cc1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)ccc1C#N ZINC000353913701 1043658111 /nfs/dbraw/zinc/65/81/11/1043658111.db2.gz IMGQIKVTUHMFQS-HXUWFJFHSA-N 1 0 303.409 4.391 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000926926178 1043658042 /nfs/dbraw/zinc/65/80/42/1043658042.db2.gz IYVSYBFDIYIBNZ-AWEZNQCLSA-N 1 0 316.445 4.051 20 30 DIEDRO CC[C@H]([NH2+]CCc1cccc2oc(C)nc21)c1ccc(C#N)cc1 ZINC000926977141 1043666081 /nfs/dbraw/zinc/66/60/81/1043666081.db2.gz YJDUZKPWVOWMGZ-SFHVURJKSA-N 1 0 319.408 4.291 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@@H]1CCCO1 ZINC000926979119 1043666948 /nfs/dbraw/zinc/66/69/48/1043666948.db2.gz WZLRUBKAPZCGQU-XSLAGTTESA-N 1 0 321.411 4.139 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(Br)cc1 ZINC000051814322 1043668719 /nfs/dbraw/zinc/66/87/19/1043668719.db2.gz XLFIMIAKEMMBSS-AWEZNQCLSA-N 1 0 314.226 4.151 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000927036681 1043670735 /nfs/dbraw/zinc/67/07/35/1043670735.db2.gz LGKHATIGCFHLKZ-WFASDCNBSA-N 1 0 304.434 4.166 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018696 1043672470 /nfs/dbraw/zinc/67/24/70/1043672470.db2.gz RORATRYAPWQCMU-ABAIWWIYSA-N 1 0 302.245 4.361 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](c2nc(CC)no2)C1)c1ccco1 ZINC000927046775 1043673721 /nfs/dbraw/zinc/67/37/21/1043673721.db2.gz CAZUARVYQYBDKA-KFWWJZLASA-N 1 0 315.417 4.158 20 30 DIEDRO CC(C)[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000927072556 1043681952 /nfs/dbraw/zinc/68/19/52/1043681952.db2.gz XHYKVMHXJWVITQ-UXHICEINSA-N 1 0 322.456 4.046 20 30 DIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000876592480 1043699959 /nfs/dbraw/zinc/69/99/59/1043699959.db2.gz SGPDXPSYHATKTF-OAHLLOKOSA-N 1 0 308.853 4.342 20 30 DIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000876600236 1043701438 /nfs/dbraw/zinc/70/14/38/1043701438.db2.gz DARIEIVSFSPJSL-OAHLLOKOSA-N 1 0 324.877 4.130 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC2(CCN(CC=C)C2=O)CC1 ZINC001275329653 1043703493 /nfs/dbraw/zinc/70/34/93/1043703493.db2.gz COVHFQQIGQRVSZ-UHFFFAOYSA-N 1 0 318.505 4.014 20 30 DIEDRO C[C@H](C[NH+]1CCC(C#N)(c2ccccn2)CC1)C1CCCCC1 ZINC000559228462 1043712872 /nfs/dbraw/zinc/71/28/72/1043712872.db2.gz QMGGFALRSMNACI-QGZVFWFLSA-N 1 0 311.473 4.155 20 30 DIEDRO C[N@H+](CCOCCC#N)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000559228410 1043713418 /nfs/dbraw/zinc/71/34/18/1043713418.db2.gz YLCHYYRHHUIPQD-GOSISDBHSA-N 1 0 320.864 4.433 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000126264641 1043728710 /nfs/dbraw/zinc/72/87/10/1043728710.db2.gz CRWJGAXDIDUIPP-LSDHHAIUSA-N 1 0 323.864 4.284 20 30 DIEDRO CC1CCN(c2ccc(C[NH2+]C3CCC(C#N)CC3)cc2)CC1 ZINC000877024975 1043736008 /nfs/dbraw/zinc/73/60/08/1043736008.db2.gz VIMDRMCUOPFHOB-UHFFFAOYSA-N 1 0 311.473 4.095 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CC1(F)F ZINC000877050401 1043738000 /nfs/dbraw/zinc/73/80/00/1043738000.db2.gz ZPGCWJKFEDDVKD-IAQYHMDHSA-N 1 0 318.392 4.420 20 30 DIEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000355090743 1043743676 /nfs/dbraw/zinc/74/36/76/1043743676.db2.gz VFYBEDYPUCQWRT-ZACQAIPSSA-N 1 0 300.446 4.236 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC001137119286 1043757640 /nfs/dbraw/zinc/75/76/40/1043757640.db2.gz DCROUYJKDKCSFF-UHFFFAOYSA-N 1 0 306.409 4.167 20 30 DIEDRO C#CCOc1ccc([C@@H](C)Nc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000777699880 1043768855 /nfs/dbraw/zinc/76/88/55/1043768855.db2.gz FTYAWXJDJUXPJH-QGZVFWFLSA-N 1 0 322.452 4.242 20 30 DIEDRO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CCC1 ZINC000355613904 1043781508 /nfs/dbraw/zinc/78/15/08/1043781508.db2.gz ZAAVZTUDTWQBKD-UHFFFAOYSA-N 1 0 322.456 4.086 20 30 DIEDRO C#CCCCCCC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000877634279 1043783519 /nfs/dbraw/zinc/78/35/19/1043783519.db2.gz LZICPFWDXOVTDH-GOSISDBHSA-N 1 0 301.430 4.017 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cc(C)ccc1C ZINC000877658370 1043785423 /nfs/dbraw/zinc/78/54/23/1043785423.db2.gz YJZABFVHFXHEKN-QGZVFWFLSA-N 1 0 313.832 4.464 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC(C(=O)c3ccccc3)CC2)CCC1 ZINC000929160851 1043796321 /nfs/dbraw/zinc/79/63/21/1043796321.db2.gz IFICVRAPVPCLLA-UHFFFAOYSA-N 1 0 324.468 4.445 20 30 DIEDRO CC(C)c1cc([C@@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)[nH]n1 ZINC000877783972 1043796803 /nfs/dbraw/zinc/79/68/03/1043796803.db2.gz LZNXXVBKAQOENQ-OAHLLOKOSA-N 1 0 302.466 4.042 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000929297911 1043808743 /nfs/dbraw/zinc/80/87/43/1043808743.db2.gz MCLUYLGNPXRFKC-JMLCCBQJSA-N 1 0 318.848 4.043 20 30 DIEDRO C[C@@H](c1ccccc1)N(Cc1nc(C#N)cs1)CC1CCC1 ZINC000356133444 1043813651 /nfs/dbraw/zinc/81/36/51/1043813651.db2.gz XOWBZEASWMOGEM-AWEZNQCLSA-N 1 0 311.454 4.378 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000929429760 1043816638 /nfs/dbraw/zinc/81/66/38/1043816638.db2.gz QGSXZOVBTYFOPO-UHFFFAOYSA-N 1 0 312.457 4.099 20 30 DIEDRO C[N@H+](CCCCC1(C#N)CCC1)C[C@@H]1OCCc2ccccc21 ZINC000929468295 1043820788 /nfs/dbraw/zinc/82/07/88/1043820788.db2.gz JLMDJAYLFYGDFU-IBGZPJMESA-N 1 0 312.457 4.096 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@H+](C1CC1)C1CCCCC1)c1ccccc1 ZINC000877965384 1043831950 /nfs/dbraw/zinc/83/19/50/1043831950.db2.gz VNHZLNYSYNSWFR-OAQYLSRUSA-N 1 0 324.468 4.224 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)c1ccccc1 ZINC000877986000 1043836036 /nfs/dbraw/zinc/83/60/36/1043836036.db2.gz IGXLVOXKVBATOX-NHCUHLMSSA-N 1 0 324.468 4.082 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929889730 1043853185 /nfs/dbraw/zinc/85/31/85/1043853185.db2.gz WIHLETXYRUBZMP-CYBMUJFWSA-N 1 0 311.816 4.332 20 30 DIEDRO N#CCC1(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000878182189 1043854969 /nfs/dbraw/zinc/85/49/69/1043854969.db2.gz BVHSNYCZWJFBLI-RBUKOAKNSA-N 1 0 312.457 4.049 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000929963059 1043860314 /nfs/dbraw/zinc/86/03/14/1043860314.db2.gz PSVDCVVAYHQQKQ-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C[C@H]3CC[C@H](c4ccccc4)O3)CC2)c1 ZINC000878364180 1043879935 /nfs/dbraw/zinc/87/99/35/1043879935.db2.gz DZMQIVXTYOXWHJ-WOJBJXKFSA-N 1 0 318.420 4.057 20 30 DIEDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC000930185154 1043886228 /nfs/dbraw/zinc/88/62/28/1043886228.db2.gz FCMDVCUVLYXVGU-HNNXBMFYSA-N 1 0 324.424 4.043 20 30 DIEDRO Cc1csc([C@@H]([NH2+]CCCCC2(C#N)CCC2)C2CC2)n1 ZINC000930237068 1043903808 /nfs/dbraw/zinc/90/38/08/1043903808.db2.gz FMDZUZQVTKJKEJ-HNNXBMFYSA-N 1 0 303.475 4.356 20 30 DIEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2cncc(C#N)c2)C1 ZINC000930323332 1043913021 /nfs/dbraw/zinc/91/30/21/1043913021.db2.gz DERKJKACPRRFGE-IBGZPJMESA-N 1 0 305.425 4.147 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000930461723 1043927593 /nfs/dbraw/zinc/92/75/93/1043927593.db2.gz ZMYKXWQBOJIPAR-PIIMJCKOSA-N 1 0 319.493 4.046 20 30 DIEDRO C=CC[N@@H+](Cc1coc(-c2ccccc2OC)n1)C(C)(C)C ZINC000878949960 1043932022 /nfs/dbraw/zinc/93/20/22/1043932022.db2.gz NDXVODDQOZMQKE-UHFFFAOYSA-N 1 0 300.402 4.137 20 30 DIEDRO N#CC1(CCCC[NH2+][C@H](CCO)c2ccc(Cl)cc2)CCC1 ZINC000930487223 1043932404 /nfs/dbraw/zinc/93/24/04/1043932404.db2.gz GDSTVWPPMZEWHE-QGZVFWFLSA-N 1 0 320.864 4.217 20 30 DIEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878995028 1043933037 /nfs/dbraw/zinc/93/30/37/1043933037.db2.gz IIROIZAJWFDHRU-DBVUQKKJSA-N 1 0 312.457 4.080 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000930594548 1043945875 /nfs/dbraw/zinc/94/58/75/1043945875.db2.gz LLSLJLWXDNWTMX-AWEZNQCLSA-N 1 0 301.390 4.110 20 30 DIEDRO COc1c(C)cnc(C[N@H+](C)CCCCC2(C#N)CCC2)c1C ZINC000930615239 1043948366 /nfs/dbraw/zinc/94/83/66/1043948366.db2.gz OQMFUTAJJMFWDQ-UHFFFAOYSA-N 1 0 315.461 4.003 20 30 DIEDRO CC(C)(C)c1nc(CNC2(c3ccc(C#N)cc3)CCC2)co1 ZINC000930887571 1043972412 /nfs/dbraw/zinc/97/24/12/1043972412.db2.gz OEOHZLMRAOIZBN-UHFFFAOYSA-N 1 0 309.413 4.013 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cc2cnccc2o1 ZINC000879713472 1043983493 /nfs/dbraw/zinc/98/34/93/1043983493.db2.gz PSANYIWFJROGAI-CQSZACIVSA-N 1 0 319.408 4.480 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CCC1 ZINC000931024698 1043984013 /nfs/dbraw/zinc/98/40/13/1043984013.db2.gz IRQOXYAFWPVEBN-ZWKOTPCHSA-N 1 0 304.478 4.132 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000879731264 1043987331 /nfs/dbraw/zinc/98/73/31/1043987331.db2.gz KSROFXOMMHPWJS-MRXNPFEDSA-N 1 0 300.446 4.205 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734871 1043987881 /nfs/dbraw/zinc/98/78/81/1043987881.db2.gz ONYUEOLDYFNWPK-SFHVURJKSA-N 1 0 312.457 4.069 20 30 DIEDRO CC[C@@H](C)n1ncc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000329496465 1043991321 /nfs/dbraw/zinc/99/13/21/1043991321.db2.gz JATNAKOYUMTNDA-UKRRQHHQSA-N 1 0 306.454 4.015 20 30 DIEDRO CC[C@@H](C)n1ncc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000329496463 1043992147 /nfs/dbraw/zinc/99/21/47/1043992147.db2.gz JATNAKOYUMTNDA-HIFRSBDPSA-N 1 0 306.454 4.015 20 30 DIEDRO CC(C)([NH2+]CC1CCC(C#N)CC1)c1nc2ccccc2s1 ZINC000931165587 1043998715 /nfs/dbraw/zinc/99/87/15/1043998715.db2.gz NOCRSYOYPJYVBG-UHFFFAOYSA-N 1 0 313.470 4.451 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098466 1044012074 /nfs/dbraw/zinc/01/20/74/1044012074.db2.gz NGFYSMUUTWYTNF-GFCCVEGCSA-N 1 0 319.330 4.131 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000358047275 1044012834 /nfs/dbraw/zinc/01/28/34/1044012834.db2.gz MYJNLQASDLNVSE-BXUZGUMPSA-N 1 0 310.235 4.217 20 30 DIEDRO C=CCCCCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000561907813 1044024754 /nfs/dbraw/zinc/02/47/54/1044024754.db2.gz ZOAQPYOCPDUTSI-DLBZAZTESA-N 1 0 305.487 4.234 20 30 DIEDRO CC1(C)C[N@H+](CCOc2ccccc2C#N)[C@@H]1c1cccs1 ZINC000561960654 1044035238 /nfs/dbraw/zinc/03/52/38/1044035238.db2.gz UCENQXZBPZKLAB-QGZVFWFLSA-N 1 0 312.438 4.082 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1nccn1C(F)F)c1ccccc1 ZINC000880388266 1044036859 /nfs/dbraw/zinc/03/68/59/1044036859.db2.gz KOWWLDHECFSEGK-OAHLLOKOSA-N 1 0 305.372 4.465 20 30 DIEDRO N#CC1(CCCC[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CCC1 ZINC000931557739 1044045456 /nfs/dbraw/zinc/04/54/56/1044045456.db2.gz YLMYBPNMCURRRY-ZIAGYGMSSA-N 1 0 300.368 4.337 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000562078737 1044061013 /nfs/dbraw/zinc/06/10/13/1044061013.db2.gz VXENCAHRAMFZEU-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(c3cccc(Cl)c3)CC1)CC2 ZINC000562099442 1044064204 /nfs/dbraw/zinc/06/42/04/1044064204.db2.gz FKRTXSMYOAYCMZ-GOSISDBHSA-N 1 0 308.812 4.478 20 30 DIEDRO Cc1csc(C[C@H]2CCC[N@H+](CC3CCC(C#N)CC3)C2)n1 ZINC000931748919 1044066086 /nfs/dbraw/zinc/06/60/86/1044066086.db2.gz DYQSQKWKAQLVOQ-OFLPRAFFSA-N 1 0 317.502 4.036 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC000358409636 1044066590 /nfs/dbraw/zinc/06/65/90/1044066590.db2.gz WRMBSIUFLAFCTC-LJQANCHMSA-N 1 0 314.473 4.075 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(C#N)cc1F ZINC000358564972 1044080561 /nfs/dbraw/zinc/08/05/61/1044080561.db2.gz YXZKZPBUIDEEPV-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO N#CC1(CC[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CCCCC1 ZINC000931910851 1044084562 /nfs/dbraw/zinc/08/45/62/1044084562.db2.gz IZRVQOPGWPKOCU-CQSZACIVSA-N 1 0 318.358 4.217 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000280941644 1044086360 /nfs/dbraw/zinc/08/63/60/1044086360.db2.gz WBJNIYPQKSIWFC-SIIHOXLZSA-N 1 0 315.413 4.073 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCc2cc(F)c(OC)cc21)c1ccccc1 ZINC000281146935 1044097377 /nfs/dbraw/zinc/09/73/77/1044097377.db2.gz ARZUNVDXOIJIAP-RBUKOAKNSA-N 1 0 309.384 4.176 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)ccc1F ZINC000932219877 1044110757 /nfs/dbraw/zinc/11/07/57/1044110757.db2.gz YPTZTIQMEABAAA-SFHVURJKSA-N 1 0 322.383 4.233 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000358966747 1044115096 /nfs/dbraw/zinc/11/50/96/1044115096.db2.gz PNFJOBBOGZXGII-INIZCTEOSA-N 1 0 324.262 4.009 20 30 DIEDRO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCCC#N)C1 ZINC000358979054 1044117190 /nfs/dbraw/zinc/11/71/90/1044117190.db2.gz GAOUPDFMJVKXIW-WBMJQRKESA-N 1 0 321.262 4.356 20 30 DIEDRO CC[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000562603230 1044135245 /nfs/dbraw/zinc/13/52/45/1044135245.db2.gz AMUQORUAUCGHRL-XVAXZDLZSA-N 1 0 320.436 4.347 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000443998948 1044151007 /nfs/dbraw/zinc/15/10/07/1044151007.db2.gz AXZKSICWPXXARW-UXHICEINSA-N 1 0 324.399 4.016 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccccc2OC2CCC2)ccc1C#N ZINC000444004635 1044153043 /nfs/dbraw/zinc/15/30/43/1044153043.db2.gz ZESSOCQNHVYSTI-UHFFFAOYSA-N 1 0 306.409 4.088 20 30 DIEDRO C#CC[N@H+](Cc1cccc2cccnc21)[C@@H]1CCc2ccccc21 ZINC001137176782 1044164440 /nfs/dbraw/zinc/16/44/40/1044164440.db2.gz MHNVWGPNKOFUMB-OAQYLSRUSA-N 1 0 312.416 4.358 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)ccc1C#N ZINC000281615490 1044168207 /nfs/dbraw/zinc/16/82/07/1044168207.db2.gz GYICSFPIWVDYGF-HNNXBMFYSA-N 1 0 324.424 4.205 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccccc1SC ZINC000281655425 1044176299 /nfs/dbraw/zinc/17/62/99/1044176299.db2.gz KIJRDHDLQUDFRK-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(C)s1 ZINC000778157791 1044186736 /nfs/dbraw/zinc/18/67/36/1044186736.db2.gz BMOAJEJBDHGMBO-UHFFFAOYSA-N 1 0 305.830 4.012 20 30 DIEDRO Cc1nc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)sc1C ZINC000933607380 1044202413 /nfs/dbraw/zinc/20/24/13/1044202413.db2.gz PHDHPMPWHTUHIW-UHFFFAOYSA-N 1 0 311.454 4.011 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000933614914 1044203641 /nfs/dbraw/zinc/20/36/41/1044203641.db2.gz XPCZTYFAUGBDRK-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO N#Cc1csc(CN2CCCC[C@H]2CCc2ccccc2)n1 ZINC000562913139 1044205665 /nfs/dbraw/zinc/20/56/65/1044205665.db2.gz BLWCZRMPKMJYJA-KRWDZBQOSA-N 1 0 311.454 4.002 20 30 DIEDRO N#CCCCCCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882950782 1044208157 /nfs/dbraw/zinc/20/81/57/1044208157.db2.gz AOLGFZWHHNITRB-UHFFFAOYSA-N 1 0 313.445 4.085 20 30 DIEDRO N#CCCC[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC000883086282 1044220521 /nfs/dbraw/zinc/22/05/21/1044220521.db2.gz QUHXFTYPNFPNQP-UHFFFAOYSA-N 1 0 319.767 4.060 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@H]1CCCO1 ZINC000883178089 1044230605 /nfs/dbraw/zinc/23/06/05/1044230605.db2.gz OQQLCZOYCFFEHB-HUUCEWRRSA-N 1 0 318.442 4.007 20 30 DIEDRO C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1c(C)noc1C ZINC000883190933 1044233260 /nfs/dbraw/zinc/23/32/60/1044233260.db2.gz OKWROBCXEQEGAE-HNAYVOBHSA-N 1 0 312.457 4.390 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)[C@H]1CCCO1 ZINC000883218648 1044236826 /nfs/dbraw/zinc/23/68/26/1044236826.db2.gz FGBWUGROGSNYHH-ZGUYJTEBSA-N 1 0 309.494 4.074 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccccc1 ZINC000883220304 1044239718 /nfs/dbraw/zinc/23/97/18/1044239718.db2.gz HPMMRIVKVRRFSY-LJQANCHMSA-N 1 0 309.457 4.407 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)[C@H]1CCCO1 ZINC000883240989 1044241455 /nfs/dbraw/zinc/24/14/55/1044241455.db2.gz JBBFINJANLSHLX-ZGUYJTEBSA-N 1 0 309.494 4.216 20 30 DIEDRO C=CCCCCC[N@@H+](C)CCC(=O)Nc1cccc(F)c1C ZINC000444228717 1044242407 /nfs/dbraw/zinc/24/24/07/1044242407.db2.gz RXUYXDXTGNBCHL-UHFFFAOYSA-N 1 0 306.425 4.141 20 30 DIEDRO COc1ccc(C2CC2)cc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000883265940 1044252856 /nfs/dbraw/zinc/25/28/56/1044252856.db2.gz ODCXXVRBRAYYHM-CYBMUJFWSA-N 1 0 324.399 4.434 20 30 DIEDRO COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000883266130 1044253336 /nfs/dbraw/zinc/25/33/36/1044253336.db2.gz SMAUUVNBSMBISR-AWEZNQCLSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1cnn(CC2CCC2)c1 ZINC000934561210 1044259299 /nfs/dbraw/zinc/25/92/99/1044259299.db2.gz PIZPBIOVJSRRFE-MRXNPFEDSA-N 1 0 314.477 4.198 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)c1cnn(CC2CCC2)c1 ZINC000934561208 1044259997 /nfs/dbraw/zinc/25/99/97/1044259997.db2.gz PIZPBIOVJSRRFE-INIZCTEOSA-N 1 0 314.477 4.198 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccccc1 ZINC000883327367 1044273960 /nfs/dbraw/zinc/27/39/60/1044273960.db2.gz XCFKHSCDURSKSX-OALUTQOASA-N 1 0 309.457 4.485 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccccc1 ZINC000883325070 1044274535 /nfs/dbraw/zinc/27/45/35/1044274535.db2.gz NRMGDWPRUNQLPV-QGZVFWFLSA-N 1 0 319.399 4.335 20 30 DIEDRO COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000883330715 1044276149 /nfs/dbraw/zinc/27/61/49/1044276149.db2.gz KFUXMRWZVZIJRB-KSSFIOAISA-N 1 0 322.408 4.131 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000759468418 1044277022 /nfs/dbraw/zinc/27/70/22/1044277022.db2.gz GGVSVOOXNZOOEB-ROUUACIJSA-N 1 0 319.493 4.433 20 30 DIEDRO COc1cccc2c1OCCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000883330716 1044277296 /nfs/dbraw/zinc/27/72/96/1044277296.db2.gz KFUXMRWZVZIJRB-RDTXWAMCSA-N 1 0 322.408 4.131 20 30 DIEDRO COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000883331142 1044278950 /nfs/dbraw/zinc/27/89/50/1044278950.db2.gz SUBFEKBTQYGTFJ-KSSFIOAISA-N 1 0 322.408 4.131 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000883366433 1044284796 /nfs/dbraw/zinc/28/47/96/1044284796.db2.gz TXGRTBNCOQKPAE-KOQKOIQBSA-N 1 0 324.468 4.082 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000934877795 1044291120 /nfs/dbraw/zinc/29/11/20/1044291120.db2.gz SSOOMPZXBMGKBV-MAUKXSAKSA-N 1 0 315.461 4.056 20 30 DIEDRO Cc1onc(-c2ccccc2)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001141992074 1044291749 /nfs/dbraw/zinc/29/17/49/1044291749.db2.gz AHRHFIFBQDBTLF-UHFFFAOYSA-N 1 0 317.392 4.154 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1F ZINC000360650170 1044293582 /nfs/dbraw/zinc/29/35/82/1044293582.db2.gz XMJYRVGQIQQWIB-IBGZPJMESA-N 1 0 324.399 4.263 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883385909 1044298693 /nfs/dbraw/zinc/29/86/93/1044298693.db2.gz VPZKOUHSOAPKBC-DOTOQJQBSA-N 1 0 301.430 4.004 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883385910 1044300528 /nfs/dbraw/zinc/30/05/28/1044300528.db2.gz VPZKOUHSOAPKBC-NVXWUHKLSA-N 1 0 301.430 4.004 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000186174009 1044301097 /nfs/dbraw/zinc/30/10/97/1044301097.db2.gz SGFZXSILLKLPCA-INIZCTEOSA-N 1 0 303.409 4.321 20 30 DIEDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000186175982 1044301478 /nfs/dbraw/zinc/30/14/78/1044301478.db2.gz QKXFNXSYKOQHKG-UHFFFAOYSA-N 1 0 322.452 4.296 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000883389975 1044303230 /nfs/dbraw/zinc/30/32/30/1044303230.db2.gz CIHXEDGSFUBAGY-XJKSGUPXSA-N 1 0 316.470 4.096 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000883389974 1044304063 /nfs/dbraw/zinc/30/40/63/1044304063.db2.gz CIHXEDGSFUBAGY-CZUORRHYSA-N 1 0 316.470 4.096 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)CCCO2 ZINC000563715178 1044304787 /nfs/dbraw/zinc/30/47/87/1044304787.db2.gz REWOEZQQGYBALK-IBGZPJMESA-N 1 0 306.409 4.065 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(C#N)cc1 ZINC000035256408 1044319123 /nfs/dbraw/zinc/31/91/23/1044319123.db2.gz YOHHSCSQIGHFMC-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)cc1C#N ZINC000132326467 1044321222 /nfs/dbraw/zinc/32/12/22/1044321222.db2.gz VFAAVGKLZMONOI-LIRRHRJNSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475203522 1044323525 /nfs/dbraw/zinc/32/35/25/1044323525.db2.gz MQZMWGABKHSUHA-UHFFFAOYSA-N 1 0 320.436 4.341 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2scnc2C)cc1 ZINC000132484420 1044326786 /nfs/dbraw/zinc/32/67/86/1044326786.db2.gz PZHLWRVPLKEFOF-GFCCVEGCSA-N 1 0 322.861 4.434 20 30 DIEDRO N#Cc1ccc(OCC[N@@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000523011180 1044327394 /nfs/dbraw/zinc/32/73/94/1044327394.db2.gz GTUGWQHTERCNOX-SFHVURJKSA-N 1 0 310.397 4.147 20 30 DIEDRO Cc1nc(C(C)C)ccc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000293766857 1044328051 /nfs/dbraw/zinc/32/80/51/1044328051.db2.gz KOIJZKISCLIBRB-UHFFFAOYSA-N 1 0 305.425 4.164 20 30 DIEDRO C=C(C)C[N@@H+](CC)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168059779 1044328903 /nfs/dbraw/zinc/32/89/03/1044328903.db2.gz HCNHTBRHJSBAGJ-ROUUACIJSA-N 1 0 300.490 4.326 20 30 DIEDRO CCc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000293790333 1044330325 /nfs/dbraw/zinc/33/03/25/1044330325.db2.gz MMCSPIQXUYWVTL-OAHLLOKOSA-N 1 0 307.441 4.490 20 30 DIEDRO C=CC1(CC(=O)Nc2ccccc2CC[NH+](C)C)CCCCC1 ZINC000935553575 1044341652 /nfs/dbraw/zinc/34/16/52/1044341652.db2.gz OQEYIMZKJAOYBW-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO COC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(Cl)c1F ZINC000348243081 1044344374 /nfs/dbraw/zinc/34/43/74/1044344374.db2.gz KQYPDXXIGYQEJL-CQSZACIVSA-N 1 0 312.816 4.086 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000361005352 1044345292 /nfs/dbraw/zinc/34/52/92/1044345292.db2.gz VENUCUMJBOHCPN-IBGZPJMESA-N 1 0 309.409 4.124 20 30 DIEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC(C)(C)C ZINC000361022303 1044348464 /nfs/dbraw/zinc/34/84/64/1044348464.db2.gz KUCBXHHQDIPERD-UHFFFAOYSA-N 1 0 324.472 4.332 20 30 DIEDRO CC#CCCCc1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000564234115 1044360987 /nfs/dbraw/zinc/36/09/87/1044360987.db2.gz MMMLKEYZTUUMLQ-UHFFFAOYSA-N 1 0 323.440 4.069 20 30 DIEDRO CCCCCCCCCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000778406911 1044372136 /nfs/dbraw/zinc/37/21/36/1044372136.db2.gz JRRVOHCDZYPEIQ-KRWDZBQOSA-N 1 0 310.526 4.316 20 30 DIEDRO Cc1nc(C)c([C@@H](C)N(C)Cc2cn3ccccc3c2C#N)s1 ZINC000106877307 1044372777 /nfs/dbraw/zinc/37/27/77/1044372777.db2.gz AJCULQCHYFHCDE-CYBMUJFWSA-N 1 0 324.453 4.077 20 30 DIEDRO N#CCCCOc1cccc(C[NH+]2CC(c3ccccc3F)C2)c1 ZINC000361248222 1044379894 /nfs/dbraw/zinc/37/98/94/1044379894.db2.gz BJUYNYLLNIHYLW-UHFFFAOYSA-N 1 0 324.399 4.108 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](CC)[C@H]2CCOC(C)(C)C2)c1 ZINC000564533318 1044388878 /nfs/dbraw/zinc/38/88/78/1044388878.db2.gz TZHOPZATCQIENQ-KRWDZBQOSA-N 1 0 303.446 4.031 20 30 DIEDRO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000840859013 1044393403 /nfs/dbraw/zinc/39/34/03/1044393403.db2.gz UJRHHRURCCAYQZ-OAHLLOKOSA-N 1 0 323.440 4.132 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000564594949 1044393325 /nfs/dbraw/zinc/39/33/25/1044393325.db2.gz OCBLBXWDQSQICU-MRXNPFEDSA-N 1 0 300.358 4.027 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000565109741 1044414403 /nfs/dbraw/zinc/41/44/03/1044414403.db2.gz MOUGJAHIPAVEFT-FQEVSTJZSA-N 1 0 306.409 4.124 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)ccn1 ZINC000565218248 1044421277 /nfs/dbraw/zinc/42/12/77/1044421277.db2.gz MHPHOLXZGVBDRX-CRAIPNDOSA-N 1 0 309.413 4.176 20 30 DIEDRO Cc1ccc2c(c1)CC[N@@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000361729137 1044437567 /nfs/dbraw/zinc/43/75/67/1044437567.db2.gz RSGWGQWTTYYCNZ-UHFFFAOYSA-N 1 0 320.436 4.236 20 30 DIEDRO CC(C)[C@H](NCc1cccc(F)c1C#N)c1ccc(F)cc1F ZINC000428352287 1044452782 /nfs/dbraw/zinc/45/27/82/1044452782.db2.gz QCPFAKLXTUZOIY-SFHVURJKSA-N 1 0 318.342 4.462 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000840887783 1044469055 /nfs/dbraw/zinc/46/90/55/1044469055.db2.gz PJGVIZXKUPLXGM-YLJYHZDGSA-N 1 0 320.436 4.427 20 30 DIEDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000566396586 1044489957 /nfs/dbraw/zinc/48/99/57/1044489957.db2.gz LAAXZXUVDKIKFG-OXJNMPFZSA-N 1 0 320.436 4.225 20 30 DIEDRO CC[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@H]1C)c1ccc(C#N)cc1 ZINC000348319029 1044506499 /nfs/dbraw/zinc/50/64/99/1044506499.db2.gz LKMDZPWSNPUDED-OYYNGEPBSA-N 1 0 310.372 4.260 20 30 DIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000121439341 1044525610 /nfs/dbraw/zinc/52/56/10/1044525610.db2.gz UEIBVNDZKVMKCW-LBPRGKRZSA-N 1 0 317.433 4.218 20 30 DIEDRO CN(C)c1ccccc1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000566997449 1044535335 /nfs/dbraw/zinc/53/53/35/1044535335.db2.gz POXSTKATWXARCU-UHFFFAOYSA-N 1 0 321.468 4.186 20 30 DIEDRO CSc1ccccc1CN(C)Cc1cc(F)ccc1C#N ZINC000348328487 1044541033 /nfs/dbraw/zinc/54/10/33/1044541033.db2.gz KWLIRBUJDWVOOL-UHFFFAOYSA-N 1 0 300.402 4.051 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000567120984 1044543543 /nfs/dbraw/zinc/54/35/43/1044543543.db2.gz VNVXJWJVTRJBSH-PMACEKPBSA-N 1 0 305.425 4.111 20 30 DIEDRO CO[C@H](C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000567243406 1044553224 /nfs/dbraw/zinc/55/32/24/1044553224.db2.gz LWXMRRFTGQJNBJ-QHAWAJNXSA-N 1 0 320.436 4.146 20 30 DIEDRO Cc1ccc(Br)cc1C[NH+]1CCC(CCC#N)CC1 ZINC000399440317 1044558982 /nfs/dbraw/zinc/55/89/82/1044558982.db2.gz HMBPMPPKEGCQEO-UHFFFAOYSA-N 1 0 321.262 4.273 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000444613119 1044573590 /nfs/dbraw/zinc/57/35/90/1044573590.db2.gz TXIXZMVLXKQKAF-INIZCTEOSA-N 1 0 314.429 4.272 20 30 DIEDRO COCC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000444622475 1044581206 /nfs/dbraw/zinc/58/12/06/1044581206.db2.gz VQVXNHQVYHYJDK-KRWDZBQOSA-N 1 0 302.462 4.416 20 30 DIEDRO COc1cncc(/C=C/CC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000567790203 1044586575 /nfs/dbraw/zinc/58/65/75/1044586575.db2.gz RTKSTOOIAIYZCW-RRGWEWPQSA-N 1 0 321.424 4.058 20 30 DIEDRO CCOc1ccc2c(c1)CC[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000444660425 1044589099 /nfs/dbraw/zinc/58/90/99/1044589099.db2.gz FWRIYGRDZBLDFB-UHFFFAOYSA-N 1 0 300.446 4.163 20 30 DIEDRO C#CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 ZINC000778617426 1044591890 /nfs/dbraw/zinc/59/18/90/1044591890.db2.gz SKJFDEVSYUPITJ-QGZVFWFLSA-N 1 0 319.326 4.026 20 30 DIEDRO CCCCCCC[C@@H](C)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000885935926 1044593889 /nfs/dbraw/zinc/59/38/89/1044593889.db2.gz WGDXOHUTWWNGKJ-QZTJIDSGSA-N 1 0 311.510 4.301 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccncc1 ZINC000885988453 1044597961 /nfs/dbraw/zinc/59/79/61/1044597961.db2.gz JXCFLZKIIYUXJQ-QZTJIDSGSA-N 1 0 300.446 4.170 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886099154 1044607123 /nfs/dbraw/zinc/60/71/23/1044607123.db2.gz VYKLMPPGIPLRIO-HKUYNNGSSA-N 1 0 310.441 4.017 20 30 DIEDRO CCc1ccc([C@H]2CN(CCCCC(C)(C)C#N)CCO2)cc1 ZINC000444718975 1044614304 /nfs/dbraw/zinc/61/43/04/1044614304.db2.gz XMVCHEBUELXTKW-LJQANCHMSA-N 1 0 314.473 4.342 20 30 DIEDRO CSCc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000568333451 1044616630 /nfs/dbraw/zinc/61/66/30/1044616630.db2.gz CKNNLIUGPTYBDK-LJQANCHMSA-N 1 0 308.450 4.198 20 30 DIEDRO CSCc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000568333450 1044617435 /nfs/dbraw/zinc/61/74/35/1044617435.db2.gz CKNNLIUGPTYBDK-IBGZPJMESA-N 1 0 308.450 4.198 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1 ZINC000296468378 1044620232 /nfs/dbraw/zinc/62/02/32/1044620232.db2.gz NQQUEHPSWKBWNC-OAHLLOKOSA-N 1 0 319.330 4.213 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2nc3cccnc3s2)CCCC1(C)C ZINC000444777060 1044625741 /nfs/dbraw/zinc/62/57/41/1044625741.db2.gz RFFLGXMUQQBWHL-CQSZACIVSA-N 1 0 301.459 4.258 20 30 DIEDRO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000568465709 1044627075 /nfs/dbraw/zinc/62/70/75/1044627075.db2.gz ZFXDDBYGDIDBBA-HXUWFJFHSA-N 1 0 321.424 4.079 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1C#N ZINC000886279021 1044628826 /nfs/dbraw/zinc/62/88/26/1044628826.db2.gz OCLGEWSPJHQNCA-BLLLJJGKSA-N 1 0 312.438 4.286 20 30 DIEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccccc2C)CCCC1(C)C ZINC000444793295 1044630403 /nfs/dbraw/zinc/63/04/03/1044630403.db2.gz RQQZTGBGLJTQGF-KRWDZBQOSA-N 1 0 300.446 4.000 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c(OC(C)C)c1 ZINC000568569545 1044636710 /nfs/dbraw/zinc/63/67/10/1044636710.db2.gz WPZPFROHYDSPMX-HXUWFJFHSA-N 1 0 320.436 4.431 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1c2ccccc2sc1C(=O)OC ZINC000568562363 1044637082 /nfs/dbraw/zinc/63/70/82/1044637082.db2.gz PKWVIBIWWLCSRG-UHFFFAOYSA-N 1 0 303.427 4.086 20 30 DIEDRO N#CCCCC[NH2+][C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000886523145 1044654998 /nfs/dbraw/zinc/65/49/98/1044654998.db2.gz XOZYOLJDAHMDLS-OAHLLOKOSA-N 1 0 301.821 4.482 20 30 DIEDRO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000886542489 1044658669 /nfs/dbraw/zinc/65/86/69/1044658669.db2.gz AWMQWSOJRINYME-PKOBYXMFSA-N 1 0 312.457 4.170 20 30 DIEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC[C@@H](C)CC(C)(C)C ZINC001275879435 1044660764 /nfs/dbraw/zinc/66/07/64/1044660764.db2.gz DPMJEPRPWBYZCH-XLIONFOSSA-N 1 0 320.521 4.092 20 30 DIEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC[C@@H](C)CC(C)(C)C)C1=O ZINC001275888717 1044661756 /nfs/dbraw/zinc/66/17/56/1044661756.db2.gz KKAUYGBEQWITKO-XLIONFOSSA-N 1 0 320.521 4.092 20 30 DIEDRO N#CCCC[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000569145046 1044678555 /nfs/dbraw/zinc/67/85/55/1044678555.db2.gz KAFLEUGZUOHDPL-OAHLLOKOSA-N 1 0 321.262 4.150 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)cc1 ZINC000886686454 1044678759 /nfs/dbraw/zinc/67/87/59/1044678759.db2.gz QLYUCYPOYTWBGC-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)c1 ZINC000886686347 1044679344 /nfs/dbraw/zinc/67/93/44/1044679344.db2.gz NZHITBDENVUPML-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)cc1C#N ZINC000886688588 1044681327 /nfs/dbraw/zinc/68/13/27/1044681327.db2.gz VTSIYRIYXMGGJN-CYBMUJFWSA-N 1 0 324.449 4.066 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cc1C#N ZINC000886687974 1044681473 /nfs/dbraw/zinc/68/14/73/1044681473.db2.gz IMQWLPAODJFIAG-QGZVFWFLSA-N 1 0 312.413 4.196 20 30 DIEDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)o1 ZINC000886688184 1044681712 /nfs/dbraw/zinc/68/17/12/1044681712.db2.gz MBUIACLZBZXKJM-LBPRGKRZSA-N 1 0 300.427 4.286 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1C#N ZINC000886688562 1044681987 /nfs/dbraw/zinc/68/19/87/1044681987.db2.gz VMCRHMJIPCLKCE-KRWDZBQOSA-N 1 0 324.449 4.284 20 30 DIEDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)o1 ZINC000886688183 1044682011 /nfs/dbraw/zinc/68/20/11/1044682011.db2.gz MBUIACLZBZXKJM-GFCCVEGCSA-N 1 0 300.427 4.286 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886712535 1044686360 /nfs/dbraw/zinc/68/63/60/1044686360.db2.gz GFOKCUKCJRPKOX-QZTJIDSGSA-N 1 0 309.494 4.077 20 30 DIEDRO CC[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000886773775 1044695434 /nfs/dbraw/zinc/69/54/34/1044695434.db2.gz AQFVYPUCVHNYOS-RTBURBONSA-N 1 0 312.457 4.338 20 30 DIEDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000886773847 1044695513 /nfs/dbraw/zinc/69/55/13/1044695513.db2.gz CDVLPKUUDNQLMG-KDOFPFPSSA-N 1 0 316.420 4.087 20 30 DIEDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000569344477 1044695486 /nfs/dbraw/zinc/69/54/86/1044695486.db2.gz NKTRBIYYGIZFBO-UHFFFAOYSA-N 1 0 323.396 4.054 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000365616391 1044698003 /nfs/dbraw/zinc/69/80/03/1044698003.db2.gz ACDATCHKXQJKIX-MSOLQXFVSA-N 1 0 300.446 4.074 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cc(Cl)cc2c1OCC2 ZINC000897338046 1044703480 /nfs/dbraw/zinc/70/34/80/1044703480.db2.gz HFQQQJFNVARYES-XIKARTHZSA-N 1 0 304.821 4.008 20 30 DIEDRO Cc1ccc(-c2cc(C[NH+]3CCC(CCC#N)CC3)on2)cc1 ZINC000569719202 1044707909 /nfs/dbraw/zinc/70/79/09/1044707909.db2.gz AHPFRWHOFBSRKQ-UHFFFAOYSA-N 1 0 309.413 4.166 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000569933918 1044721825 /nfs/dbraw/zinc/72/18/25/1044721825.db2.gz WKFHSGJFDDFXHK-UKRRQHHQSA-N 1 0 320.358 4.487 20 30 DIEDRO Cc1ccccc1[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367064585 1044729932 /nfs/dbraw/zinc/72/99/32/1044729932.db2.gz DRIHKDWBSKXRTG-QGZVFWFLSA-N 1 0 305.425 4.008 20 30 DIEDRO CCc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C#N)cn2)o1 ZINC000570173817 1044737683 /nfs/dbraw/zinc/73/76/83/1044737683.db2.gz PIDCREFGVMULIR-RDTXWAMCSA-N 1 0 309.413 4.082 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(SC)s2)cc1 ZINC000570206040 1044740423 /nfs/dbraw/zinc/74/04/23/1044740423.db2.gz VHNJNBPCDIIMJR-UHFFFAOYSA-N 1 0 305.468 4.325 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669504 1044744078 /nfs/dbraw/zinc/74/40/78/1044744078.db2.gz PYDLAGXYSIMPOZ-GJZGRUSLSA-N 1 0 315.486 4.328 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669503 1044744871 /nfs/dbraw/zinc/74/48/71/1044744871.db2.gz PYDLAGXYSIMPOZ-HUUCEWRRSA-N 1 0 315.486 4.328 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2csc(Cl)c2)ccc1C#N ZINC000570323316 1044749302 /nfs/dbraw/zinc/74/93/02/1044749302.db2.gz NURLYHOMYVLWLC-JTQLQIEISA-N 1 0 306.818 4.133 20 30 DIEDRO CCCCCCCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000729586227 1044750828 /nfs/dbraw/zinc/75/08/28/1044750828.db2.gz FKDNKZMFWRXALB-GOSISDBHSA-N 1 0 323.525 4.007 20 30 DIEDRO CCCCCCCCCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000729586228 1044751574 /nfs/dbraw/zinc/75/15/74/1044751574.db2.gz FKDNKZMFWRXALB-SFHVURJKSA-N 1 0 323.525 4.007 20 30 DIEDRO C[C@H]([NH2+]C1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367803056 1044756321 /nfs/dbraw/zinc/75/63/21/1044756321.db2.gz QRIDCRKLGQMILO-HNNXBMFYSA-N 1 0 306.409 4.055 20 30 DIEDRO CCn1c2ccccc2nc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000570632794 1044771339 /nfs/dbraw/zinc/77/13/39/1044771339.db2.gz OINCFLUYGYIRLA-OAHLLOKOSA-N 1 0 318.424 4.121 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000571324782 1044807703 /nfs/dbraw/zinc/80/77/03/1044807703.db2.gz FDNYDHRDHLULOF-WOJBJXKFSA-N 1 0 319.452 4.272 20 30 DIEDRO C[C@@H](c1ccncc1)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000127533163 1044825845 /nfs/dbraw/zinc/82/58/45/1044825845.db2.gz XYYOOKXOFLIYFL-AWEZNQCLSA-N 1 0 318.342 4.145 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000571988968 1044835681 /nfs/dbraw/zinc/83/56/81/1044835681.db2.gz LCIIWZDKAKGGOL-OLZOCXBDSA-N 1 0 303.381 4.189 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000264121806 1044854776 /nfs/dbraw/zinc/85/47/76/1044854776.db2.gz KTDOBBDSNOEKJC-INIZCTEOSA-N 1 0 319.408 4.044 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@H+](Cc2ccccc2)C2CC2)c1O ZINC000887562202 1044856293 /nfs/dbraw/zinc/85/62/93/1044856293.db2.gz ISVCZEFVNCVOKC-UHFFFAOYSA-N 1 0 323.436 4.294 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)c(F)c1 ZINC000011010957 1044868371 /nfs/dbraw/zinc/86/83/71/1044868371.db2.gz MJDYVTYLGJXTSB-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO C[C@H](c1c(F)cccc1F)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000337144109 1044869464 /nfs/dbraw/zinc/86/94/64/1044869464.db2.gz WGSJAIZYPUJHMR-CQSZACIVSA-N 1 0 322.399 4.058 20 30 DIEDRO CC[C@H](C)[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000572751575 1044875615 /nfs/dbraw/zinc/87/56/15/1044875615.db2.gz MZVYFZZRFZNSAG-ZQIUZPCESA-N 1 0 303.837 4.460 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC(C)(C)CCC#N)CC3 ZINC000371500689 1044880038 /nfs/dbraw/zinc/88/00/38/1044880038.db2.gz QHRLRNHMXNXFKF-OAHLLOKOSA-N 1 0 309.457 4.253 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC(C)(C)CCC#N)CC3 ZINC000371500688 1044881759 /nfs/dbraw/zinc/88/17/59/1044881759.db2.gz QHRLRNHMXNXFKF-HNNXBMFYSA-N 1 0 309.457 4.253 20 30 DIEDRO C=C(C)C[N@@H+](CC[C@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000572921479 1044883911 /nfs/dbraw/zinc/88/39/11/1044883911.db2.gz MXENHCLPOVHRIB-KRWDZBQOSA-N 1 0 313.441 4.344 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)CC2)c1 ZINC000337488983 1044906843 /nfs/dbraw/zinc/90/68/43/1044906843.db2.gz UURGTPUXARJULM-YLJYHZDGSA-N 1 0 317.436 4.258 20 30 DIEDRO COc1ccc(C[NH2+]CC2CCCCC2)cc1OCCCC#N ZINC000337525684 1044913726 /nfs/dbraw/zinc/91/37/26/1044913726.db2.gz BLZNKJTZGBKBBS-UHFFFAOYSA-N 1 0 316.445 4.048 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000573886262 1044930356 /nfs/dbraw/zinc/93/03/56/1044930356.db2.gz FMMBVPULUCRPSQ-VQTJNVASSA-N 1 0 308.400 4.318 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)c(F)c1 ZINC000573997968 1044935084 /nfs/dbraw/zinc/93/50/84/1044935084.db2.gz OMVGLKIVRVYLIX-LXGCGDOSSA-N 1 0 324.399 4.268 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000373021554 1044935596 /nfs/dbraw/zinc/93/55/96/1044935596.db2.gz OFGSRMUSXDBZED-VQTJNVASSA-N 1 0 319.452 4.120 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1ccc(C#N)cc1 ZINC000373209463 1044950510 /nfs/dbraw/zinc/95/05/10/1044950510.db2.gz WFYFONLPIFYMIH-RDJZCZTQSA-N 1 0 311.454 4.442 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000574848273 1044977131 /nfs/dbraw/zinc/97/71/31/1044977131.db2.gz XXYFOVSJWQTNDO-VLIAUNLRSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000136603635 1044987310 /nfs/dbraw/zinc/98/73/10/1044987310.db2.gz MWFFEQXUEJFVBW-JXFKEZNVSA-N 1 0 308.425 4.348 20 30 DIEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000411401882 1045005996 /nfs/dbraw/zinc/00/59/96/1045005996.db2.gz OAGFTAFQXULLLM-HUUCEWRRSA-N 1 0 306.837 4.123 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@H](C)CCC#N)ccc1OCCC(C)C ZINC000411445511 1045008757 /nfs/dbraw/zinc/00/87/57/1045008757.db2.gz AEJBOLFQTIEHOY-HZPDHXFCSA-N 1 0 318.461 4.463 20 30 DIEDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2cccc(C#N)c2)c1 ZINC000151371268 1045023255 /nfs/dbraw/zinc/02/32/55/1045023255.db2.gz JTOUQDKXRLJCBK-ZDUSSCGKSA-N 1 0 316.351 4.319 20 30 DIEDRO N#CC1(CC[NH+]2CCC(F)(c3cccnc3)CC2)CCCCC1 ZINC000411702341 1045025535 /nfs/dbraw/zinc/02/55/35/1045025535.db2.gz PXDUQVRCUKVMBX-UHFFFAOYSA-N 1 0 315.436 4.206 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H](CO)C(C)(C)C ZINC000441081785 1045026521 /nfs/dbraw/zinc/02/65/21/1045026521.db2.gz WZFZDLOSHAPRFW-FQEVSTJZSA-N 1 0 322.452 4.064 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccccc1 ZINC000411755865 1045027758 /nfs/dbraw/zinc/02/77/58/1045027758.db2.gz JMTFADNXGUMFKV-LJQANCHMSA-N 1 0 321.424 4.040 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1nc2c(s1)CCC2 ZINC000411818067 1045030831 /nfs/dbraw/zinc/03/08/31/1045030831.db2.gz KEWFESILFGGUSU-ZDUSSCGKSA-N 1 0 303.475 4.147 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCC[C@@H]2C2CCCCC2)CCOCC1 ZINC000374157148 1045032319 /nfs/dbraw/zinc/03/23/19/1045032319.db2.gz FKKPEMAWLCBORN-GOSISDBHSA-N 1 0 304.478 4.132 20 30 DIEDRO C=CCC[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000525329116 1045037785 /nfs/dbraw/zinc/03/77/85/1045037785.db2.gz BCBXKKBBVIGYFD-CYBMUJFWSA-N 1 0 312.276 4.494 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412000264 1045045249 /nfs/dbraw/zinc/04/52/49/1045045249.db2.gz NUYHGZDZYVNXMO-GOSISDBHSA-N 1 0 312.457 4.170 20 30 DIEDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000576557764 1045066912 /nfs/dbraw/zinc/06/69/12/1045066912.db2.gz FDMRYIJZJYGMIZ-LBPRGKRZSA-N 1 0 308.347 4.342 20 30 DIEDRO N#Cc1cccc(C[NH+](Cc2cccc(C#N)c2)C2CCCC2)c1 ZINC000047550189 1045068223 /nfs/dbraw/zinc/06/82/23/1045068223.db2.gz OMMCKFFTLMQMQU-UHFFFAOYSA-N 1 0 315.420 4.375 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000577182467 1045107972 /nfs/dbraw/zinc/10/79/72/1045107972.db2.gz XWCZJWGCHGKXGH-KRWDZBQOSA-N 1 0 309.369 4.097 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCOc1cccc(Cl)c1Cl ZINC000525702513 1045110341 /nfs/dbraw/zinc/11/03/41/1045110341.db2.gz MBTCBQHXNISIPO-UHFFFAOYSA-N 1 0 315.244 4.292 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000525833915 1045127117 /nfs/dbraw/zinc/12/71/17/1045127117.db2.gz TWOIFSHRYOTQRQ-LJQANCHMSA-N 1 0 305.425 4.124 20 30 DIEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccc2ccccc2c1 ZINC000468272589 1045136369 /nfs/dbraw/zinc/13/63/69/1045136369.db2.gz WOMFYZRVFNXMLE-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO CC[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(C#N)cc1 ZINC000447527405 1045137092 /nfs/dbraw/zinc/13/70/92/1045137092.db2.gz FVBQQSGAHZWNFQ-HXUWFJFHSA-N 1 0 315.420 4.390 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000525955257 1045138001 /nfs/dbraw/zinc/13/80/01/1045138001.db2.gz OJKQFXRRZVEAGL-CYBMUJFWSA-N 1 0 318.342 4.470 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)CCc1ccc(O)cc1)c1ccc(C#N)cc1 ZINC000447537244 1045141838 /nfs/dbraw/zinc/14/18/38/1045141838.db2.gz UGBMQOFFWFBVMP-FOIQADDNSA-N 1 0 308.425 4.326 20 30 DIEDRO CC[C@@H]([NH2+]CCCc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447545711 1045143059 /nfs/dbraw/zinc/14/30/59/1045143059.db2.gz YSLQHPKRDLIBOJ-HXUWFJFHSA-N 1 0 308.425 4.240 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000447572747 1045147765 /nfs/dbraw/zinc/14/77/65/1045147765.db2.gz DMYCJUBMUVJMEO-MRXNPFEDSA-N 1 0 319.326 4.317 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C)Oc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447564429 1045151213 /nfs/dbraw/zinc/15/12/13/1045151213.db2.gz WXLNWRVBFGWNRG-KUHUBIRLSA-N 1 0 312.388 4.206 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000447585636 1045153390 /nfs/dbraw/zinc/15/33/90/1045153390.db2.gz LBQYIGNOLIDNTD-PBHICJAKSA-N 1 0 313.397 4.424 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](OC)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447589392 1045154473 /nfs/dbraw/zinc/15/44/73/1045154473.db2.gz XRHVGIHFCHLEPI-OALUTQOASA-N 1 0 312.388 4.126 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1 ZINC000447590603 1045154516 /nfs/dbraw/zinc/15/45/16/1045154516.db2.gz DTFYKNWCNOJMBU-QGZVFWFLSA-N 1 0 318.342 4.259 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](OC)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447589390 1045155093 /nfs/dbraw/zinc/15/50/93/1045155093.db2.gz XRHVGIHFCHLEPI-MOPGFXCFSA-N 1 0 312.388 4.126 20 30 DIEDRO CC[C@H](Nc1cc(C)cc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000447595172 1045156893 /nfs/dbraw/zinc/15/68/93/1045156893.db2.gz LPSCDOAYXADXMM-FQEVSTJZSA-N 1 0 307.441 4.492 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000557395381 1045171723 /nfs/dbraw/zinc/17/17/23/1045171723.db2.gz WTKKLZQCJHOFKX-LEWJYISDSA-N 1 0 323.484 4.085 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CC(N2CCC(F)(F)CC2)C1 ZINC001258049958 1045175471 /nfs/dbraw/zinc/17/54/71/1045175471.db2.gz QNPVEJDYIXORPB-HNNXBMFYSA-N 1 0 302.453 4.151 20 30 DIEDRO C=C(C)CN1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000447823328 1045178795 /nfs/dbraw/zinc/17/87/95/1045178795.db2.gz UAMXRWVYDBLRTH-UHFFFAOYSA-N 1 0 324.871 4.042 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(C(F)F)nc3)CCC2)cc1 ZINC000601131309 1045191995 /nfs/dbraw/zinc/19/19/95/1045191995.db2.gz WCNRBIOLOAOLIJ-UHFFFAOYSA-N 1 0 313.351 4.060 20 30 DIEDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000527105995 1045194096 /nfs/dbraw/zinc/19/40/96/1045194096.db2.gz MOZCIGCQXHHOPV-HOTGVXAUSA-N 1 0 308.425 4.158 20 30 DIEDRO N#CCC1CCN(Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000578053966 1045202903 /nfs/dbraw/zinc/20/29/03/1045202903.db2.gz ZIRHFAVJUBUIDH-UHFFFAOYSA-N 1 0 315.804 4.121 20 30 DIEDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000601272772 1045209947 /nfs/dbraw/zinc/20/99/47/1045209947.db2.gz KTBXAXMLGAIAIL-PMACEKPBSA-N 1 0 306.409 4.317 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601276893 1045210489 /nfs/dbraw/zinc/21/04/89/1045210489.db2.gz QYEYBSNNBUPTKH-QWFCFKBJSA-N 1 0 305.425 4.037 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2c3ccccc3[nH]c2C(F)(F)F)C1 ZINC000601291067 1045212060 /nfs/dbraw/zinc/21/20/60/1045212060.db2.gz FOGPWCDSAOOELP-NEPJUHHUSA-N 1 0 321.346 4.011 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000601305035 1045213500 /nfs/dbraw/zinc/21/35/00/1045213500.db2.gz RAGDMGHQPZGCGY-WBMJQRKESA-N 1 0 321.380 4.207 20 30 DIEDRO C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc(C#N)c(F)c1 ZINC000601303128 1045213923 /nfs/dbraw/zinc/21/39/23/1045213923.db2.gz CQAJDWUMNLMAMH-RDTXWAMCSA-N 1 0 316.420 4.087 20 30 DIEDRO C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc(C#N)c(F)c1 ZINC000601303127 1045214573 /nfs/dbraw/zinc/21/45/73/1045214573.db2.gz CQAJDWUMNLMAMH-KSSFIOAISA-N 1 0 316.420 4.087 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)c[nH]c2c1 ZINC000527371583 1045224343 /nfs/dbraw/zinc/22/43/43/1045224343.db2.gz ZFGLMUGNDXIAER-AWEZNQCLSA-N 1 0 321.399 4.380 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccnn1CC1CCC1)c1ccncc1 ZINC000925076065 1045224405 /nfs/dbraw/zinc/22/44/05/1045224405.db2.gz SYUNBILYTJCJTJ-CRAIPNDOSA-N 1 0 310.445 4.046 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccnn1CC1CCC1)c1ccncc1 ZINC000925076067 1045224831 /nfs/dbraw/zinc/22/48/31/1045224831.db2.gz SYUNBILYTJCJTJ-MAUKXSAKSA-N 1 0 310.445 4.046 20 30 DIEDRO CC1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000578365776 1045235124 /nfs/dbraw/zinc/23/51/24/1045235124.db2.gz BMQVVYOIWNKQKU-WMLDXEAASA-N 1 0 302.849 4.386 20 30 DIEDRO CC1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000578365777 1045236008 /nfs/dbraw/zinc/23/60/08/1045236008.db2.gz BMQVVYOIWNKQKU-YOEHRIQHSA-N 1 0 302.849 4.386 20 30 DIEDRO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc(C)c1O ZINC000578469489 1045245838 /nfs/dbraw/zinc/24/58/38/1045245838.db2.gz MJPMKMMYIBWNHL-UHFFFAOYSA-N 1 0 308.425 4.291 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000527771956 1045261824 /nfs/dbraw/zinc/26/18/24/1045261824.db2.gz KWTNAZDNYTYMFT-FQEVSTJZSA-N 1 0 308.425 4.277 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000578723399 1045268752 /nfs/dbraw/zinc/26/87/52/1045268752.db2.gz FFPZXAZPWGNWEZ-UHFFFAOYSA-N 1 0 321.424 4.046 20 30 DIEDRO COc1ccc2ccccc2c1C[NH+]1CCC(CCC#N)CC1 ZINC000578869451 1045278407 /nfs/dbraw/zinc/27/84/07/1045278407.db2.gz PBPYNNWGCBQPOH-UHFFFAOYSA-N 1 0 308.425 4.364 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527909008 1045281544 /nfs/dbraw/zinc/28/15/44/1045281544.db2.gz HUZYHBVVFDKIPW-GOSISDBHSA-N 1 0 314.791 4.322 20 30 DIEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000578985001 1045285513 /nfs/dbraw/zinc/28/55/13/1045285513.db2.gz OAWHSFATRBNVGV-HOTGVXAUSA-N 1 0 322.493 4.006 20 30 DIEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000578985003 1045286076 /nfs/dbraw/zinc/28/60/76/1045286076.db2.gz OAWHSFATRBNVGV-JKSUJKDBSA-N 1 0 322.493 4.006 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)cn1 ZINC000578995463 1045287061 /nfs/dbraw/zinc/28/70/61/1045287061.db2.gz FZTVAAFIIYKBQV-HRCADAONSA-N 1 0 307.397 4.217 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000527935885 1045287549 /nfs/dbraw/zinc/28/75/49/1045287549.db2.gz MYHRSEVQXHBZOB-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO CC[C@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1ccc(C#N)cc1 ZINC000528043145 1045299504 /nfs/dbraw/zinc/29/95/04/1045299504.db2.gz LIYPYCBBDSDHDT-AZUAARDMSA-N 1 0 321.424 4.154 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000216166480 1045302364 /nfs/dbraw/zinc/30/23/64/1045302364.db2.gz VEIUWGARRQSSQK-LLVKDONJSA-N 1 0 315.244 4.218 20 30 DIEDRO C=CCC1(C(=O)N2CCC(C[NH+](CC)CC)CC2)CCCCC1 ZINC000448823154 1045305028 /nfs/dbraw/zinc/30/50/28/1045305028.db2.gz LUDWYQBAFHTOCV-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO C[C@@H](OCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000579413386 1045314416 /nfs/dbraw/zinc/31/44/16/1045314416.db2.gz MTPTXRIBYXKLNT-IIBYNOLFSA-N 1 0 320.436 4.303 20 30 DIEDRO CC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCCC1 ZINC000579456488 1045316353 /nfs/dbraw/zinc/31/63/53/1045316353.db2.gz VENUTNDCMBILCL-UHFFFAOYSA-N 1 0 311.473 4.087 20 30 DIEDRO C=CCCCCC[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000579609045 1045325189 /nfs/dbraw/zinc/32/51/89/1045325189.db2.gz LYDYUCPJAYTECG-WGSAOQKQSA-N 1 0 317.473 4.244 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1SCCc3ccccc31)CC2 ZINC000579652353 1045329617 /nfs/dbraw/zinc/32/96/17/1045329617.db2.gz ZICQGRZYVABCNK-PMACEKPBSA-N 1 0 320.461 4.166 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCSCc2ccccc2F)CC1 ZINC000449058828 1045337745 /nfs/dbraw/zinc/33/77/45/1045337745.db2.gz MHPBKFILVSTMSW-UHFFFAOYSA-N 1 0 306.450 4.121 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000075755648 1045339368 /nfs/dbraw/zinc/33/93/68/1045339368.db2.gz YGNJTBFISRUGMR-MRXNPFEDSA-N 1 0 307.441 4.255 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1OC(F)F ZINC000449071732 1045344321 /nfs/dbraw/zinc/34/43/21/1045344321.db2.gz OLFBWEGSFWEHBX-SFYCDEOASA-N 1 0 308.372 4.411 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1OC ZINC000449070869 1045344590 /nfs/dbraw/zinc/34/45/90/1045344590.db2.gz MBPUJNZJWMAJLC-ICXUMSERSA-N 1 0 316.445 4.217 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCCCOc2ccc(F)cc2)CC1 ZINC000449079441 1045345585 /nfs/dbraw/zinc/34/55/85/1045345585.db2.gz YVRGQRMHOMWFRG-UHFFFAOYSA-N 1 0 304.409 4.047 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCc2ccccc2C(F)(F)F)CC1 ZINC000449089625 1045347907 /nfs/dbraw/zinc/34/79/07/1045347907.db2.gz DLQNCZZBEBSKPH-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO C[C@@H](NC(C)(C)C[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449139038 1045351187 /nfs/dbraw/zinc/35/11/87/1045351187.db2.gz JUOHTHBQJQENHK-PPDQVPDSSA-N 1 0 313.489 4.178 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C12CCCCC2 ZINC000449152343 1045352579 /nfs/dbraw/zinc/35/25/79/1045352579.db2.gz DWUVQGBULNQOCE-JDEYZFBPSA-N 1 0 304.478 4.176 20 30 DIEDRO C[C@H](Cc1ccoc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000449157795 1045353499 /nfs/dbraw/zinc/35/34/99/1045353499.db2.gz RGFMLLAENPZNNS-VNCLNFNDSA-N 1 0 324.424 4.062 20 30 DIEDRO CO[C@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000449168880 1045353608 /nfs/dbraw/zinc/35/36/08/1045353608.db2.gz CAGLPLSWYWHRLP-AQFXKWCLSA-N 1 0 306.837 4.090 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1cccc(C#N)c1 ZINC000449172058 1045354613 /nfs/dbraw/zinc/35/46/13/1045354613.db2.gz JGNHAQJHHHZRQK-ZUZCIYMTSA-N 1 0 316.326 4.314 20 30 DIEDRO Cc1ccc(OC(F)F)c(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449194619 1045358026 /nfs/dbraw/zinc/35/80/26/1045358026.db2.gz UXBHWLFNRVVDON-UHFFFAOYSA-N 1 0 308.372 4.159 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000449188565 1045360201 /nfs/dbraw/zinc/36/02/01/1045360201.db2.gz SJWWOXZJODLIEM-JLVJUDLZSA-N 1 0 302.384 4.417 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000449220740 1045364495 /nfs/dbraw/zinc/36/44/95/1045364495.db2.gz RGGKQIRFVBJWBJ-QGZVFWFLSA-N 1 0 302.462 4.275 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000449222200 1045364760 /nfs/dbraw/zinc/36/47/60/1045364760.db2.gz VTGNKJCYFXWZBR-CRAIPNDOSA-N 1 0 315.436 4.373 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000449252332 1045366354 /nfs/dbraw/zinc/36/63/54/1045366354.db2.gz QICNCDXELQWZAA-BFHRDPOASA-N 1 0 302.393 4.101 20 30 DIEDRO Cc1ccc2c(CC[NH2+]C3CCC(C)(C#N)CC3)cn(C)c2c1 ZINC000449266256 1045369421 /nfs/dbraw/zinc/36/94/21/1045369421.db2.gz UPBDOFYUZLKRIA-UHFFFAOYSA-N 1 0 309.457 4.091 20 30 DIEDRO C[C@@H](Cc1coc2ccccc12)[NH2+]CCc1cccc(C#N)c1 ZINC000449304919 1045373894 /nfs/dbraw/zinc/37/38/94/1045373894.db2.gz QFSLLCVHFBVFEV-HNNXBMFYSA-N 1 0 304.393 4.068 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449335108 1045380812 /nfs/dbraw/zinc/38/08/12/1045380812.db2.gz YUKUXOKUJXRUOD-UHFFFAOYSA-N 1 0 317.433 4.369 20 30 DIEDRO COc1cccc([C@@H]2C[N@H+](CCC(C)(C)C#N)CC2(C)C)c1 ZINC000528626805 1045389881 /nfs/dbraw/zinc/38/98/81/1045389881.db2.gz RSQPXRYRBDHMCP-KRWDZBQOSA-N 1 0 300.446 4.060 20 30 DIEDRO C[C@H](CC[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000320775114 1045397757 /nfs/dbraw/zinc/39/77/57/1045397757.db2.gz UPEUJQVQQYVSJH-IAGOWNOFSA-N 1 0 308.425 4.433 20 30 DIEDRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000320775115 1045397990 /nfs/dbraw/zinc/39/79/90/1045397990.db2.gz UPEUJQVQQYVSJH-IRXDYDNUSA-N 1 0 308.425 4.433 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000449479505 1045398865 /nfs/dbraw/zinc/39/88/65/1045398865.db2.gz VFYFYBHBCHKJEX-UHFFFAOYSA-N 1 0 324.424 4.003 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCCC3CCCC3)CCOCC2)cc1 ZINC000528779724 1045414677 /nfs/dbraw/zinc/41/46/77/1045414677.db2.gz WWEZAWBICSVYLG-UHFFFAOYSA-N 1 0 312.457 4.124 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)ccc1C#N ZINC000449581542 1045416839 /nfs/dbraw/zinc/41/68/39/1045416839.db2.gz ATOOZDOTGUAXAF-OAHLLOKOSA-N 1 0 316.326 4.061 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)cc1F ZINC000449735663 1045432580 /nfs/dbraw/zinc/43/25/80/1045432580.db2.gz RSGWEURCKIOTCK-UHFFFAOYSA-N 1 0 324.399 4.219 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000449770427 1045435206 /nfs/dbraw/zinc/43/52/06/1045435206.db2.gz ITWBAXUROVZOAN-JSGCOSHPSA-N 1 0 317.845 4.094 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529534205 1045489632 /nfs/dbraw/zinc/48/96/32/1045489632.db2.gz ZKCPKQAFFHUFFH-TZIWHRDSSA-N 1 0 315.420 4.440 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529534203 1045489661 /nfs/dbraw/zinc/48/96/61/1045489661.db2.gz ZKCPKQAFFHUFFH-FPOVZHCZSA-N 1 0 315.420 4.440 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529534204 1045489715 /nfs/dbraw/zinc/48/97/15/1045489715.db2.gz ZKCPKQAFFHUFFH-PZJWPPBQSA-N 1 0 315.420 4.440 20 30 DIEDRO CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cc(C)ccc1C ZINC000529677078 1045511483 /nfs/dbraw/zinc/51/14/83/1045511483.db2.gz ZFAMEZRDWVMMLU-IBGZPJMESA-N 1 0 318.424 4.064 20 30 DIEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000529679628 1045511665 /nfs/dbraw/zinc/51/16/65/1045511665.db2.gz SJFBKNKIJIASFX-FXAWDEMLSA-N 1 0 324.468 4.146 20 30 DIEDRO C[C@@H](C[N@H+](C)CCCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000190361821 1045533283 /nfs/dbraw/zinc/53/32/83/1045533283.db2.gz IAPAXJMKCQXYTP-LBPRGKRZSA-N 1 0 315.244 4.386 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000450673731 1045543522 /nfs/dbraw/zinc/54/35/22/1045543522.db2.gz ACQIJURTVIFIAM-XJKSGUPXSA-N 1 0 315.379 4.463 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000796619460 1045548805 /nfs/dbraw/zinc/54/88/05/1045548805.db2.gz MZQGNKZLBJHBLU-UZLBHIALSA-N 1 0 306.409 4.172 20 30 DIEDRO CCCCCCCOc1ccc(C[NH+]2CC3(C2)CCOC3)cc1 ZINC001204368954 1045568787 /nfs/dbraw/zinc/56/87/87/1045568787.db2.gz KYVBPEBQLGWGCD-UHFFFAOYSA-N 1 0 317.473 4.258 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000278623969 1045574245 /nfs/dbraw/zinc/57/42/45/1045574245.db2.gz GKBFLRHBWISRRU-ZCNNSNEGSA-N 1 0 306.409 4.129 20 30 DIEDRO CC[N@H+](Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1)C(C)C ZINC000751039644 1045579890 /nfs/dbraw/zinc/57/98/90/1045579890.db2.gz CBTFUJFOFFGXKA-UHFFFAOYSA-N 1 0 322.408 4.008 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC001460289007 1045590589 /nfs/dbraw/zinc/59/05/89/1045590589.db2.gz HLCZXNZNZGZZNZ-ZIAGYGMSSA-N 1 0 306.247 4.245 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000800399799 1045614912 /nfs/dbraw/zinc/61/49/12/1045614912.db2.gz GKBGSDYNNCMBAM-LJQANCHMSA-N 1 0 324.855 4.398 20 30 DIEDRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1cccc(C#N)c1 ZINC000190826252 1045615669 /nfs/dbraw/zinc/61/56/69/1045615669.db2.gz UEAKYFLWSXQMBW-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000190827845 1045616241 /nfs/dbraw/zinc/61/62/41/1045616241.db2.gz MMQQDWHPDHUETI-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO CN(CC[NH2+][C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000451059132 1045620187 /nfs/dbraw/zinc/62/01/87/1045620187.db2.gz CAIPULGPYVUSQT-NRFANRHFSA-N 1 0 321.468 4.143 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1ccncc1 ZINC000800478363 1045625261 /nfs/dbraw/zinc/62/52/61/1045625261.db2.gz DYQFGEKECLASBL-SXLOBPIMSA-N 1 0 307.441 4.410 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(C)c(C)o2)c1 ZINC000800481432 1045625764 /nfs/dbraw/zinc/62/57/64/1045625764.db2.gz RCIORSARDHKCQF-WMLDXEAASA-N 1 0 312.413 4.428 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(C)c(C)o2)c1 ZINC000800481433 1045626005 /nfs/dbraw/zinc/62/60/05/1045626005.db2.gz RCIORSARDHKCQF-YOEHRIQHSA-N 1 0 312.413 4.428 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccncc1 ZINC000800478362 1045626034 /nfs/dbraw/zinc/62/60/34/1045626034.db2.gz DYQFGEKECLASBL-RLLQIKCJSA-N 1 0 307.441 4.410 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)C(F)(F)F)c(O)c1 ZINC000800790755 1045649227 /nfs/dbraw/zinc/64/92/27/1045649227.db2.gz UELUZAJRRLVESR-KEBDBYFISA-N 1 0 316.367 4.246 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1F ZINC000451296211 1045660633 /nfs/dbraw/zinc/66/06/33/1045660633.db2.gz LSSWXBPNENZDIA-WFASDCNBSA-N 1 0 314.326 4.298 20 30 DIEDRO COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000800895923 1045664885 /nfs/dbraw/zinc/66/48/85/1045664885.db2.gz PSGWNIXODIOKJM-UHFFFAOYSA-N 1 0 321.207 4.163 20 30 DIEDRO C=C(Br)C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000779401333 1045666640 /nfs/dbraw/zinc/66/66/40/1045666640.db2.gz UFTDJXPGDOAMDL-HNNXBMFYSA-N 1 0 310.210 4.260 20 30 DIEDRO C#CCCCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191317336 1045678168 /nfs/dbraw/zinc/67/81/68/1045678168.db2.gz YQRODUKOVHTRPI-UHFFFAOYSA-N 1 0 306.656 4.057 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530524671 1045684596 /nfs/dbraw/zinc/68/45/96/1045684596.db2.gz GYWSFWOVIYUUPH-IBGZPJMESA-N 1 0 310.441 4.038 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H](C)CCO)c1ccc(C(F)(F)F)cc1 ZINC000779414366 1045687723 /nfs/dbraw/zinc/68/77/23/1045687723.db2.gz CWWRXFNWYVDRLK-SWLSCSKDSA-N 1 0 301.352 4.073 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)c1 ZINC000530626100 1045702148 /nfs/dbraw/zinc/70/21/48/1045702148.db2.gz GHQRGIMAUJMIGC-KRWDZBQOSA-N 1 0 300.446 4.032 20 30 DIEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)c1c(F)cccc1Cl ZINC000530640357 1045704988 /nfs/dbraw/zinc/70/49/88/1045704988.db2.gz ZITLSUCVTILOTJ-UHFFFAOYSA-N 1 0 322.836 4.480 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000078452031 1045714121 /nfs/dbraw/zinc/71/41/21/1045714121.db2.gz PEWCLTSHQUFBDH-UHFFFAOYSA-N 1 0 319.408 4.072 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(C2CCCCC2)cs1 ZINC000451682493 1045714822 /nfs/dbraw/zinc/71/48/22/1045714822.db2.gz POMXUEFNYJAKFX-ZBFHGGJFSA-N 1 0 306.475 4.014 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOCC12CCCCC2 ZINC000451809846 1045728870 /nfs/dbraw/zinc/72/88/70/1045728870.db2.gz BDMXXMWARWHHEW-UHFFFAOYSA-N 1 0 312.457 4.023 20 30 DIEDRO C=CCOc1ccc(C[N@H+](CC2CC2)C2CCC2)cc1OC ZINC000475673966 1045735090 /nfs/dbraw/zinc/73/50/90/1045735090.db2.gz RVRYJZNWFJWHTE-UHFFFAOYSA-N 1 0 301.430 4.025 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451878090 1045738286 /nfs/dbraw/zinc/73/82/86/1045738286.db2.gz LKTFOJDUXRLWET-QGZVFWFLSA-N 1 0 310.445 4.420 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451878087 1045738969 /nfs/dbraw/zinc/73/89/69/1045738969.db2.gz LKTFOJDUXRLWET-KRWDZBQOSA-N 1 0 310.445 4.420 20 30 DIEDRO CCCC[N@H+](Cc1ccccc1O)Cc1cc(F)ccc1C#N ZINC000801596979 1045751856 /nfs/dbraw/zinc/75/18/56/1045751856.db2.gz WJBWYBRXUQZTDZ-UHFFFAOYSA-N 1 0 312.388 4.205 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CCC(F)(F)F)c1 ZINC000753565788 1045762987 /nfs/dbraw/zinc/76/29/87/1045762987.db2.gz KKYFMJISCDXFMQ-GXTWGEPZSA-N 1 0 314.351 4.188 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C(C)C)cc1 ZINC000192148647 1045785906 /nfs/dbraw/zinc/78/59/06/1045785906.db2.gz RCEPEZXWVORYIG-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)cc1F ZINC000753763234 1045800904 /nfs/dbraw/zinc/80/09/04/1045800904.db2.gz NKUQQXUSKQYVSO-BDJLRTHQSA-N 1 0 314.791 4.169 20 30 DIEDRO C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)cc1F ZINC000753763236 1045801630 /nfs/dbraw/zinc/80/16/30/1045801630.db2.gz NKUQQXUSKQYVSO-MEDUHNTESA-N 1 0 314.791 4.169 20 30 DIEDRO C(CCCCOc1ccccc1)=[NH+]n1cnnc1-c1ccccc1 ZINC000753954781 1045823941 /nfs/dbraw/zinc/82/39/41/1045823941.db2.gz IAQYUMIVDUZUNQ-UHFFFAOYSA-N 1 0 320.396 4.028 20 30 DIEDRO C[C@H](C#N)OCC[N@H+](Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000801913975 1045834946 /nfs/dbraw/zinc/83/49/46/1045834946.db2.gz PZWKXSMPSMJSEF-QZTJIDSGSA-N 1 0 308.425 4.178 20 30 DIEDRO CC(C)(C)SCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000801925272 1045845988 /nfs/dbraw/zinc/84/59/88/1045845988.db2.gz KORJZIMLUUWGQL-DLBZAZTESA-N 1 0 302.487 4.290 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801937604 1045852192 /nfs/dbraw/zinc/85/21/92/1045852192.db2.gz QWILRHRQOQMHOR-DYVFJYSZSA-N 1 0 306.837 4.090 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000801937146 1045852858 /nfs/dbraw/zinc/85/28/58/1045852858.db2.gz FMVGMBYQSCACDZ-LPHOPBHVSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000801940022 1045853023 /nfs/dbraw/zinc/85/30/23/1045853023.db2.gz UHXSLMIUDUXJLJ-KDOFPFPSSA-N 1 0 320.864 4.480 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000801940002 1045853480 /nfs/dbraw/zinc/85/34/80/1045853480.db2.gz TYEQNVPQLQYDOZ-CJNGLKHVSA-N 1 0 308.853 4.336 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000801940001 1045853636 /nfs/dbraw/zinc/85/36/36/1045853636.db2.gz TYEQNVPQLQYDOZ-BBRMVZONSA-N 1 0 308.853 4.336 20 30 DIEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801953935 1045860140 /nfs/dbraw/zinc/86/01/40/1045860140.db2.gz YYZKZQNYSWNPDB-RDTXWAMCSA-N 1 0 320.864 4.432 20 30 DIEDRO C=CC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000531537063 1045864406 /nfs/dbraw/zinc/86/44/06/1045864406.db2.gz MGDVSDCMXVEBGY-INIZCTEOSA-N 1 0 302.215 4.314 20 30 DIEDRO CC(C)C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000754295880 1045869672 /nfs/dbraw/zinc/86/96/72/1045869672.db2.gz JLABPRGVIKWESC-DLBZAZTESA-N 1 0 314.454 4.030 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](c2nccs2)c2ccccc2)CC1 ZINC000901983701 1045880334 /nfs/dbraw/zinc/88/03/34/1045880334.db2.gz ICDGMLWRJBAVME-DQPZFDDXSA-N 1 0 311.454 4.152 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](C)CC1(C)C ZINC001137558485 1045894194 /nfs/dbraw/zinc/89/41/94/1045894194.db2.gz ANPDZBXYRDLNHE-BUHFOSPRSA-N 1 0 308.510 4.236 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)s1 ZINC000754677512 1045910102 /nfs/dbraw/zinc/91/01/02/1045910102.db2.gz WIRMCXFZLVPCMF-CQSZACIVSA-N 1 0 300.427 4.048 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1Br)CC(C)C ZINC001137639937 1045913126 /nfs/dbraw/zinc/91/31/26/1045913126.db2.gz OQOIPTBESOXAPU-UHFFFAOYSA-N 1 0 309.251 4.189 20 30 DIEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001137637927 1045914367 /nfs/dbraw/zinc/91/43/67/1045914367.db2.gz FNXCAMSWUOHRAM-AWEZNQCLSA-N 1 0 307.235 4.085 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C#N)cc1Br ZINC001137632907 1045914687 /nfs/dbraw/zinc/91/46/87/1045914687.db2.gz PZQGIXYEEQJCBT-VXGBXAGGSA-N 1 0 307.235 4.084 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C)cc(C)c1O ZINC000754720781 1045917538 /nfs/dbraw/zinc/91/75/38/1045917538.db2.gz PPOXHTGTUSCSCH-UHFFFAOYSA-N 1 0 306.409 4.069 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1csc2ccccc21 ZINC000754735410 1045921842 /nfs/dbraw/zinc/92/18/42/1045921842.db2.gz UDIAWNYPNWHGFH-ACJLOTCBSA-N 1 0 322.433 4.157 20 30 DIEDRO COc1cccc(C[C@H]([NH2+]CC2(C#N)CCC2)c2ccccc2)c1 ZINC000828704958 1045927097 /nfs/dbraw/zinc/92/70/97/1045927097.db2.gz VXWNKVJDKHZJRT-FQEVSTJZSA-N 1 0 320.436 4.262 20 30 DIEDRO C=CCN(Cc1cccc(F)c1Br)C(C)(C)C ZINC001137723767 1045946641 /nfs/dbraw/zinc/94/66/41/1045946641.db2.gz IHESJGXDYVTYIF-UHFFFAOYSA-N 1 0 300.215 4.375 20 30 DIEDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000192943705 1045954009 /nfs/dbraw/zinc/95/40/09/1045954009.db2.gz GRCKULBJXJGOQX-IRXDYDNUSA-N 1 0 308.425 4.261 20 30 DIEDRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000192943722 1045954708 /nfs/dbraw/zinc/95/47/08/1045954708.db2.gz GRCKULBJXJGOQX-SJORKVTESA-N 1 0 308.425 4.261 20 30 DIEDRO CCCNc1ccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)cc1 ZINC000193061631 1045965034 /nfs/dbraw/zinc/96/50/34/1045965034.db2.gz NTBXXXJGJYRGHV-UHFFFAOYSA-N 1 0 310.445 4.052 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(-c2ccccc2)nn1C ZINC000453218464 1045987487 /nfs/dbraw/zinc/98/74/87/1045987487.db2.gz IJBUMVPKFCCWFA-OAHLLOKOSA-N 1 0 310.445 4.068 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788943 1046007879 /nfs/dbraw/zinc/00/78/79/1046007879.db2.gz KESPAKZQKKRCNH-SJORKVTESA-N 1 0 323.440 4.150 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453243068 1046011465 /nfs/dbraw/zinc/01/14/65/1046011465.db2.gz QZGRSDLDZZLZEA-INIZCTEOSA-N 1 0 317.864 4.355 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000453296875 1046021369 /nfs/dbraw/zinc/02/13/69/1046021369.db2.gz UPLIIWHVFZFRBN-OBJOEFQTSA-N 1 0 312.335 4.318 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000802657375 1046026386 /nfs/dbraw/zinc/02/63/86/1046026386.db2.gz ZFQNZXNTIPFUGG-JXFKEZNVSA-N 1 0 324.399 4.048 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000802657389 1046027975 /nfs/dbraw/zinc/02/79/75/1046027975.db2.gz ZFQNZXNTIPFUGG-UZLBHIALSA-N 1 0 324.399 4.048 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000453309049 1046029748 /nfs/dbraw/zinc/02/97/48/1046029748.db2.gz OSPMKFIMBFYVMC-AWEZNQCLSA-N 1 0 303.450 4.079 20 30 DIEDRO Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccc(OCC#N)cc3)oc2c1 ZINC000756041334 1046041389 /nfs/dbraw/zinc/04/13/89/1046041389.db2.gz LEVLVTHIOYXOMU-OAHLLOKOSA-N 1 0 320.392 4.494 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453340059 1046045460 /nfs/dbraw/zinc/04/54/60/1046045460.db2.gz BPYKXLKVWOOANK-LIRRHRJNSA-N 1 0 323.415 4.319 20 30 DIEDRO CC[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453354587 1046055405 /nfs/dbraw/zinc/05/54/05/1046055405.db2.gz JZRGAHQPKJQVQW-QZTJIDSGSA-N 1 0 300.471 4.228 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000902742492 1046055657 /nfs/dbraw/zinc/05/56/57/1046055657.db2.gz QYILRBSHDZONOM-WIYYLYMNSA-N 1 0 319.452 4.125 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)c1 ZINC000902749987 1046057696 /nfs/dbraw/zinc/05/76/96/1046057696.db2.gz YBMUBBNBGMVZIM-HUUCEWRRSA-N 1 0 309.413 4.152 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453381468 1046058176 /nfs/dbraw/zinc/05/81/76/1046058176.db2.gz LEXPEEKOLFRQJY-BUXKBTBVSA-N 1 0 312.363 4.250 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)s1 ZINC000902751557 1046058624 /nfs/dbraw/zinc/05/86/24/1046058624.db2.gz VTUXKSKIRXSWKQ-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO COc1cccc(N=NC(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000779766376 1046059249 /nfs/dbraw/zinc/05/92/49/1046059249.db2.gz FHQOYCUBFNPERB-SFHVURJKSA-N 1 0 323.440 4.005 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453387985 1046062017 /nfs/dbraw/zinc/06/20/17/1046062017.db2.gz QKBWEFGMFAZWSK-LLVKDONJSA-N 1 0 317.433 4.437 20 30 DIEDRO CC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000902759697 1046063173 /nfs/dbraw/zinc/06/31/73/1046063173.db2.gz CLWSQKLCSROPHI-OAQYLSRUSA-N 1 0 319.452 4.268 20 30 DIEDRO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000902766685 1046066313 /nfs/dbraw/zinc/06/63/13/1046066313.db2.gz PRIRLBCXBVCSNT-GJZGRUSLSA-N 1 0 322.408 4.065 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cn1 ZINC000902767066 1046067319 /nfs/dbraw/zinc/06/73/19/1046067319.db2.gz XPWGLGUVSQSTDI-NWDGAFQWSA-N 1 0 319.330 4.384 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH+]2CCC(Cc3cccc(F)c3F)CC2)C1 ZINC000453371999 1046069197 /nfs/dbraw/zinc/06/91/97/1046069197.db2.gz RVWCWJBPEYXPJB-RDJZCZTQSA-N 1 0 318.411 4.302 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000453374468 1046069390 /nfs/dbraw/zinc/06/93/90/1046069390.db2.gz OXQJYOQYQADSFI-NIKGAXFTSA-N 1 0 306.409 4.164 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2c(s1)CCC2 ZINC000453370200 1046070012 /nfs/dbraw/zinc/07/00/12/1046070012.db2.gz FTUWHUMALKTCGX-NSHDSACASA-N 1 0 300.402 4.098 20 30 DIEDRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000453370718 1046070202 /nfs/dbraw/zinc/07/02/02/1046070202.db2.gz VVPHLTHPVFCDIB-CYBMUJFWSA-N 1 0 312.363 4.262 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902808303 1046074159 /nfs/dbraw/zinc/07/41/59/1046074159.db2.gz ICFSZSGAYYLTEG-KFKAGJAMSA-N 1 0 305.425 4.015 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(C(=O)OC)cc1C)c1ccncc1 ZINC000902807070 1046075107 /nfs/dbraw/zinc/07/51/07/1046075107.db2.gz VKGDDTFNTSAEBD-BEFAXECRSA-N 1 0 324.424 4.145 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(C#N)cc1 ZINC000453402463 1046076996 /nfs/dbraw/zinc/07/69/96/1046076996.db2.gz ADRPQBNTWPDRSE-KBRIMQKVSA-N 1 0 312.438 4.191 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCc1c(C)noc1C)[C@@]1(C)CCCCO1 ZINC000902839278 1046083521 /nfs/dbraw/zinc/08/35/21/1046083521.db2.gz PYARGSNZQQKNCV-RTBURBONSA-N 1 0 320.477 4.108 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)c1cccc(C#N)c1 ZINC000902842652 1046084367 /nfs/dbraw/zinc/08/43/67/1046084367.db2.gz ZMOCSLFJRJCFTK-HBGVWJBISA-N 1 0 322.452 4.154 20 30 DIEDRO C#C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001138080041 1046084443 /nfs/dbraw/zinc/08/44/43/1046084443.db2.gz MIUPPIXKHMLLMH-GOSISDBHSA-N 1 0 305.421 4.111 20 30 DIEDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(C#N)c1 ZINC000902849328 1046087490 /nfs/dbraw/zinc/08/74/90/1046087490.db2.gz LGJBOBWKDVRMDR-QHAWAJNXSA-N 1 0 320.436 4.377 20 30 DIEDRO CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902886925 1046100313 /nfs/dbraw/zinc/10/03/13/1046100313.db2.gz WPVGLQMUHBPJTG-GOEBONIOSA-N 1 0 311.454 4.175 20 30 DIEDRO Cc1cc([C@@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C2CC2)ccc1F ZINC000902889883 1046101664 /nfs/dbraw/zinc/10/16/64/1046101664.db2.gz SBETWJRBKHQZED-DJJJIMSYSA-N 1 0 309.388 4.203 20 30 DIEDRO Cc1cc([C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C2CC2)ccc1F ZINC000902889884 1046102346 /nfs/dbraw/zinc/10/23/46/1046102346.db2.gz SBETWJRBKHQZED-ORAYPTAESA-N 1 0 309.388 4.203 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc(Cl)ccc1O ZINC000756627956 1046111954 /nfs/dbraw/zinc/11/19/54/1046111954.db2.gz SSOWKILDFPCSGA-NWDGAFQWSA-N 1 0 300.789 4.329 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cccc(C#N)c1 ZINC000756627954 1046112913 /nfs/dbraw/zinc/11/29/13/1046112913.db2.gz SSOWKILDFPCSGA-NEPJUHHUSA-N 1 0 300.789 4.329 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1cccc(C#N)c1 ZINC000902945861 1046121778 /nfs/dbraw/zinc/12/17/78/1046121778.db2.gz WLWMUPVQHBUPMP-WBVHZDCISA-N 1 0 311.454 4.442 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000756776876 1046131521 /nfs/dbraw/zinc/13/15/21/1046131521.db2.gz UGRPRWSOGGLAIB-JQFCIGGWSA-N 1 0 309.384 4.434 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902967382 1046132071 /nfs/dbraw/zinc/13/20/71/1046132071.db2.gz SQVKLFQUXCRHQT-LBPRGKRZSA-N 1 0 319.330 4.131 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000902977179 1046135216 /nfs/dbraw/zinc/13/52/16/1046135216.db2.gz WSQRCOMEOFIMOD-VQTJNVASSA-N 1 0 301.393 4.158 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](CCc2ccccc2)c2cccnc2)CC1 ZINC000902979636 1046135256 /nfs/dbraw/zinc/13/52/56/1046135256.db2.gz UMAUWVUNXNEPOM-IBGZPJMESA-N 1 0 305.425 4.039 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](CCc2cccnc2)c2ccccc2)C1 ZINC000903006434 1046138869 /nfs/dbraw/zinc/13/88/69/1046138869.db2.gz HNIBBLFZHJHWOK-YYWHXJBOSA-N 1 0 319.452 4.427 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000903005326 1046138995 /nfs/dbraw/zinc/13/89/95/1046138995.db2.gz SFZGRQVOSDYINZ-ZYSHUDEJSA-N 1 0 305.425 4.188 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(C(F)(F)F)s1 ZINC000903005968 1046139057 /nfs/dbraw/zinc/13/90/57/1046139057.db2.gz BUXCTDXIBUYPPM-DCAQKATOSA-N 1 0 302.365 4.500 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000756837051 1046142186 /nfs/dbraw/zinc/14/21/86/1046142186.db2.gz FKDBJUHWJRKAER-BXUZGUMPSA-N 1 0 321.770 4.034 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C)cc1SC ZINC000756899856 1046149072 /nfs/dbraw/zinc/14/90/72/1046149072.db2.gz DRPFKKOYJZKUBP-UHFFFAOYSA-N 1 0 311.450 4.019 20 30 DIEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)c2ccccc21 ZINC000903069210 1046155238 /nfs/dbraw/zinc/15/52/38/1046155238.db2.gz CXACTCBXEWIIFD-DCPHZVHLSA-N 1 0 305.425 4.488 20 30 DIEDRO CC(=O)OCc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000903078517 1046157214 /nfs/dbraw/zinc/15/72/14/1046157214.db2.gz ICFXXWWFVXBLII-LSDHHAIUSA-N 1 0 322.408 4.033 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000756997619 1046157409 /nfs/dbraw/zinc/15/74/09/1046157409.db2.gz ZJYRBCDIUBIPDR-GOSISDBHSA-N 1 0 319.433 4.059 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccccc1 ZINC000756997166 1046157708 /nfs/dbraw/zinc/15/77/08/1046157708.db2.gz VMYRWSDYLJXPAB-KRWDZBQOSA-N 1 0 319.433 4.059 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000756996355 1046158044 /nfs/dbraw/zinc/15/80/44/1046158044.db2.gz DWBPUECBXUFDIV-OAQYLSRUSA-N 1 0 318.420 4.223 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000756998655 1046159703 /nfs/dbraw/zinc/15/97/03/1046159703.db2.gz YDVMPRQTPUWFBH-KRWDZBQOSA-N 1 0 301.336 4.142 20 30 DIEDRO COc1ccc(F)cc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001138376700 1046160533 /nfs/dbraw/zinc/16/05/33/1046160533.db2.gz RZBJZIHZEUHQGA-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(Cl)c(Cl)c1)c1cc(C#N)ccn1 ZINC000903093348 1046160881 /nfs/dbraw/zinc/16/08/81/1046160881.db2.gz IUKHSDXNTSCXSY-NSHDSACASA-N 1 0 320.223 4.153 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1ccncc1 ZINC000903097237 1046164062 /nfs/dbraw/zinc/16/40/62/1046164062.db2.gz DEVODTLMAFGYAP-KXBFYZLASA-N 1 0 310.445 4.046 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000903119510 1046168498 /nfs/dbraw/zinc/16/84/98/1046168498.db2.gz KXMDGMPQLABNPK-YLJYHZDGSA-N 1 0 321.424 4.003 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cccc(COC(C)=O)c1)c1ccccc1 ZINC000903131159 1046170110 /nfs/dbraw/zinc/17/01/10/1046170110.db2.gz QXYIUQHFZOONKV-KKSFZXQISA-N 1 0 321.420 4.165 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(Cl)c1 ZINC000903151027 1046175869 /nfs/dbraw/zinc/17/58/69/1046175869.db2.gz AFIDNABSHXPVIG-IAGOWNOFSA-N 1 0 315.848 4.148 20 30 DIEDRO CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1cccc(C#N)c1 ZINC000903157023 1046178950 /nfs/dbraw/zinc/17/89/50/1046178950.db2.gz UMKTXQQRCPWJBR-NXCDMZCRSA-N 1 0 300.471 4.273 20 30 DIEDRO CSC1CCC(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000903156349 1046179007 /nfs/dbraw/zinc/17/90/07/1046179007.db2.gz HYTGQACPGRACOY-KSTDHSDQSA-N 1 0 318.486 4.161 20 30 DIEDRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccc(C#N)c(F)c1 ZINC000903160925 1046180053 /nfs/dbraw/zinc/18/00/53/1046180053.db2.gz WIGWHDUECUNCPC-OKSWLAIDSA-N 1 0 304.434 4.022 20 30 DIEDRO C#CCCCCCC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000779988442 1046188603 /nfs/dbraw/zinc/18/86/03/1046188603.db2.gz NVZITAWLNXBKHG-UHFFFAOYSA-N 1 0 312.457 4.113 20 30 DIEDRO COc1ccc(C)cc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001138485042 1046196356 /nfs/dbraw/zinc/19/63/56/1046196356.db2.gz GWKMRNUGFPRDJK-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO C=CCC[C@H]([NH2+]CCOC1CCOCC1)c1cccc(Cl)c1 ZINC000903228333 1046197982 /nfs/dbraw/zinc/19/79/82/1046197982.db2.gz UKXHQLXVOOHLLH-SFHVURJKSA-N 1 0 323.864 4.133 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1C ZINC000903233510 1046200199 /nfs/dbraw/zinc/20/01/99/1046200199.db2.gz GNUUQNLHCBKRAV-KGLIPLIRSA-N 1 0 312.388 4.426 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC001138504227 1046203420 /nfs/dbraw/zinc/20/34/20/1046203420.db2.gz CKXGIJTWUPFSAD-UHFFFAOYSA-N 1 0 311.473 4.336 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)C1CCOCC1)c1ccc(C#N)cc1 ZINC000903243998 1046204096 /nfs/dbraw/zinc/20/40/96/1046204096.db2.gz MBOOKTSMOXWECJ-GOSISDBHSA-N 1 0 300.446 4.052 20 30 DIEDRO CCc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1O ZINC001204697202 1046205752 /nfs/dbraw/zinc/20/57/52/1046205752.db2.gz MJFALTXZTCGRSU-UHFFFAOYSA-N 1 0 322.452 4.484 20 30 DIEDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198172 1046222183 /nfs/dbraw/zinc/22/21/83/1046222183.db2.gz SNWFUEGRJUMSTA-OXJNMPFZSA-N 1 0 320.436 4.225 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)cc1 ZINC001138559052 1046226896 /nfs/dbraw/zinc/22/68/96/1046226896.db2.gz NHAWVTNZXFZYRS-FQEVSTJZSA-N 1 0 321.420 4.044 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000831938096 1046227677 /nfs/dbraw/zinc/22/76/77/1046227677.db2.gz YEHLUIJWCXNMEH-DLBZAZTESA-N 1 0 308.510 4.140 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(C)s1 ZINC001138568776 1046228939 /nfs/dbraw/zinc/22/89/39/1046228939.db2.gz ZYJULSPWJWMFSO-UHFFFAOYSA-N 1 0 310.466 4.422 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000245501465 1046237635 /nfs/dbraw/zinc/23/76/35/1046237635.db2.gz CUPVYCVUQOETOP-JKSUJKDBSA-N 1 0 324.424 4.179 20 30 DIEDRO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245501070 1046238539 /nfs/dbraw/zinc/23/85/39/1046238539.db2.gz BUFVOSNBQIQXPK-LSDHHAIUSA-N 1 0 312.388 4.310 20 30 DIEDRO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000245512510 1046240074 /nfs/dbraw/zinc/24/00/74/1046240074.db2.gz AARVPASWQYZVNT-JKSUJKDBSA-N 1 0 324.424 4.266 20 30 DIEDRO COc1ccc(-c2cccc(C[NH+]3CCC(CC#N)CC3)c2)cc1 ZINC001138615857 1046241340 /nfs/dbraw/zinc/24/13/40/1046241340.db2.gz QHBACCVAHZGBAL-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)N(CCC#N)Cc1cccnc1 ZINC001168170523 1046243714 /nfs/dbraw/zinc/24/37/14/1046243714.db2.gz MOJMNAYPUPBQDB-OAHLLOKOSA-N 1 0 313.832 4.082 20 30 DIEDRO C#CC[N@@H+](Cc1cccc(CC=C)c1O)[C@@H]1CCc2ccccc21 ZINC001138628683 1046246918 /nfs/dbraw/zinc/24/69/18/1046246918.db2.gz ZMNLJZRKRSPRLF-OAQYLSRUSA-N 1 0 317.432 4.243 20 30 DIEDRO COc1ccc(C#N)c(Nc2ccc(C[NH2+]C(C)(C)C)cc2)c1 ZINC001204699559 1046247636 /nfs/dbraw/zinc/24/76/36/1046247636.db2.gz GDQOGXYLTDDEGP-UHFFFAOYSA-N 1 0 309.413 4.199 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1O ZINC001138628815 1046247693 /nfs/dbraw/zinc/24/76/93/1046247693.db2.gz FXRWYZCQJZCKDQ-FQEVSTJZSA-N 1 0 323.436 4.164 20 30 DIEDRO C=CCc1cccc(C[NH+]2CCC(c3cccc(O)c3)CC2)c1O ZINC001138630302 1046249299 /nfs/dbraw/zinc/24/92/99/1046249299.db2.gz VPUVTZZXNVOLQM-UHFFFAOYSA-N 1 0 323.436 4.206 20 30 DIEDRO C=CCc1cccc(C[N@H+](CC)Cc2cccc(F)c2F)c1O ZINC001138630415 1046250499 /nfs/dbraw/zinc/25/04/99/1046250499.db2.gz WFVLWYNJTHFWRB-UHFFFAOYSA-N 1 0 317.379 4.421 20 30 DIEDRO Fc1ccc(CO[NH+]=Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000758145588 1046251031 /nfs/dbraw/zinc/25/10/31/1046251031.db2.gz YYOKLIUUEZNGIR-UHFFFAOYSA-N 1 0 312.388 4.367 20 30 DIEDRO C[N@H+](Cc1cccn1-c1ccccc1F)Cc1ccc(C#N)cc1 ZINC001138634753 1046253336 /nfs/dbraw/zinc/25/33/36/1046253336.db2.gz WBTFZPMIDMNAMT-UHFFFAOYSA-N 1 0 319.383 4.120 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000897418864 1046253427 /nfs/dbraw/zinc/25/34/27/1046253427.db2.gz ZVCXUKVDQDCOCS-OAHLLOKOSA-N 1 0 318.420 4.027 20 30 DIEDRO CCn1nc(C)c(CN(CCC#N)C2CCCCCCC2)c1C ZINC001138644308 1046255377 /nfs/dbraw/zinc/25/53/77/1046255377.db2.gz KCHLFURFLQQRSI-UHFFFAOYSA-N 1 0 316.493 4.348 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+](C)Cc1cccc(OC)c1 ZINC001138664437 1046259119 /nfs/dbraw/zinc/25/91/19/1046259119.db2.gz PVZOWARBHXLCAW-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001138664124 1046259869 /nfs/dbraw/zinc/25/98/69/1046259869.db2.gz JLGXADSRTKPQFA-GOSISDBHSA-N 1 0 308.425 4.026 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001138664351 1046260472 /nfs/dbraw/zinc/26/04/72/1046260472.db2.gz OCOKUSSJMMPUCF-QGZVFWFLSA-N 1 0 308.425 4.026 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+](CCC)C1CCOCC1 ZINC001138666056 1046261196 /nfs/dbraw/zinc/26/11/96/1046261196.db2.gz HBVKVTGZUNENRW-UHFFFAOYSA-N 1 0 303.446 4.033 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001138666146 1046261539 /nfs/dbraw/zinc/26/15/39/1046261539.db2.gz JYWIPYJRLWYYMQ-UHFFFAOYSA-N 1 0 315.457 4.175 20 30 DIEDRO C#CCCCC[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000758498041 1046273732 /nfs/dbraw/zinc/27/37/32/1046273732.db2.gz VPOZQQQWKFKNHF-UHFFFAOYSA-N 1 0 323.436 4.167 20 30 DIEDRO C#CCCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000758498452 1046275744 /nfs/dbraw/zinc/27/57/44/1046275744.db2.gz WYFSCSYWZAVUHT-UHFFFAOYSA-N 1 0 314.410 4.216 20 30 DIEDRO CCc1cccc2cc(C[NH+]3CCC(S)CC3)c(Cl)nc21 ZINC001138729973 1046281299 /nfs/dbraw/zinc/28/12/99/1046281299.db2.gz NWCDDVSSFUYVSV-UHFFFAOYSA-N 1 0 320.889 4.345 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000089553845 1046288427 /nfs/dbraw/zinc/28/84/27/1046288427.db2.gz JFEXFYJWPQOZSY-HOTGVXAUSA-N 1 0 313.363 4.073 20 30 DIEDRO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000245953708 1046288627 /nfs/dbraw/zinc/28/86/27/1046288627.db2.gz BOMCZWJIOQAECB-RTBURBONSA-N 1 0 324.424 4.110 20 30 DIEDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000245953705 1046288914 /nfs/dbraw/zinc/28/89/14/1046288914.db2.gz BOMCZWJIOQAECB-RBUKOAKNSA-N 1 0 324.424 4.110 20 30 DIEDRO C[NH+](C)CC1(C/N=C/c2c(O)ccc3ccccc32)CCCC1 ZINC000758815412 1046291124 /nfs/dbraw/zinc/29/11/24/1046291124.db2.gz LMNQMVJSKXNGNU-FYJGNVAPSA-N 1 0 310.441 4.086 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000610447644 1046292000 /nfs/dbraw/zinc/29/20/00/1046292000.db2.gz GZKDXXLRBUSPEV-UHFFFAOYSA-N 1 0 306.400 4.474 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCCC2(C)C)ccc1OC ZINC000089632510 1046293522 /nfs/dbraw/zinc/29/35/22/1046293522.db2.gz ZKXKSZJUAWVBNV-YJBOKZPZSA-N 1 0 316.445 4.044 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000089632419 1046294317 /nfs/dbraw/zinc/29/43/17/1046294317.db2.gz JQFXHBLOPLRYKU-YQQAZPJKSA-N 1 0 316.445 4.066 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1OC ZINC000089632475 1046294810 /nfs/dbraw/zinc/29/48/10/1046294810.db2.gz RNWHTCBAURZVQU-USXIJHARSA-N 1 0 316.445 4.044 20 30 DIEDRO C[N@H+](Cc1c[nH]c2c1cccc2Cl)Cc1ccc(C#N)cc1 ZINC001138834806 1046308048 /nfs/dbraw/zinc/30/80/48/1046308048.db2.gz KQVRBQDZLOJKPX-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC001138885570 1046317395 /nfs/dbraw/zinc/31/73/95/1046317395.db2.gz RZIUGOUWHXTENM-UHFFFAOYSA-N 1 0 321.399 4.404 20 30 DIEDRO Cn1c2ccccc2c2cc(C[NH+]3CCC(C)(C#N)CC3)ccc21 ZINC001138918962 1046329601 /nfs/dbraw/zinc/32/96/01/1046329601.db2.gz VNMZJEXYHSIMFC-UHFFFAOYSA-N 1 0 317.436 4.457 20 30 DIEDRO CC(C)Oc1ccc(Cl)cc1C[NH+]1CCC(CC#N)CC1 ZINC001138960915 1046340185 /nfs/dbraw/zinc/34/01/85/1046340185.db2.gz XEVQCLKDBALCJQ-UHFFFAOYSA-N 1 0 306.837 4.253 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000748270733 1046361789 /nfs/dbraw/zinc/36/17/89/1046361789.db2.gz WWQYFPZIAPDCHM-FXAWDEMLSA-N 1 0 324.399 4.284 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001139030251 1046363786 /nfs/dbraw/zinc/36/37/86/1046363786.db2.gz BNVNTMAPRBOJIL-UHFFFAOYSA-N 1 0 323.436 4.337 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC001139030334 1046363857 /nfs/dbraw/zinc/36/38/57/1046363857.db2.gz JOOLVAGTGZWXHY-LJQANCHMSA-N 1 0 308.425 4.292 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001139028947 1046365412 /nfs/dbraw/zinc/36/54/12/1046365412.db2.gz KDMBBHLZPXRERX-UHFFFAOYSA-N 1 0 307.384 4.263 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)[C@@H]1CC1(F)F ZINC000639181002 1046366628 /nfs/dbraw/zinc/36/66/28/1046366628.db2.gz LZFQXTFGAFAJIM-MUWHJKNJSA-N 1 0 315.232 4.117 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC001139036743 1046367945 /nfs/dbraw/zinc/36/79/45/1046367945.db2.gz UQRUXYIGIMFTGN-KRWDZBQOSA-N 1 0 305.421 4.207 20 30 DIEDRO C=CCC1([NH2+][C@H](C)Cc2ccc(F)cc2Cl)CCOCC1 ZINC000639313913 1046378728 /nfs/dbraw/zinc/37/87/28/1046378728.db2.gz BDNKCIGKQCZYTL-CYBMUJFWSA-N 1 0 311.828 4.125 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000610829803 1046380320 /nfs/dbraw/zinc/38/03/20/1046380320.db2.gz MVABFNVJZFPEBY-HUUCEWRRSA-N 1 0 322.408 4.131 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000780526818 1046389973 /nfs/dbraw/zinc/38/99/73/1046389973.db2.gz IYAHYUZHDXVCDD-LPHOPBHVSA-N 1 0 308.400 4.198 20 30 DIEDRO Cc1ccc(-c2ccc(C[NH2+]Cc3ccc(C#N)cn3)s2)cc1 ZINC000780558271 1046392958 /nfs/dbraw/zinc/39/29/58/1046392958.db2.gz NJJRLUMAKZFWAZ-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)nc1 ZINC000780558406 1046393408 /nfs/dbraw/zinc/39/34/08/1046393408.db2.gz ORJPYTVOXLAZBZ-OALUTQOASA-N 1 0 305.425 4.159 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)nc1 ZINC000780558409 1046393555 /nfs/dbraw/zinc/39/35/55/1046393555.db2.gz ORJPYTVOXLAZBZ-RTBURBONSA-N 1 0 305.425 4.159 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@](C)(CC)CCCCC)CC1 ZINC000780615449 1046396766 /nfs/dbraw/zinc/39/67/66/1046396766.db2.gz LHRRHTAUNPQTEG-LJQANCHMSA-N 1 0 308.510 4.140 20 30 DIEDRO N#Cc1cc(F)ccc1CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104706523 1046399112 /nfs/dbraw/zinc/39/91/12/1046399112.db2.gz OLORXEJYVWGNAD-LJQANCHMSA-N 1 0 312.363 4.467 20 30 DIEDRO CCC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001168201836 1046400425 /nfs/dbraw/zinc/40/04/25/1046400425.db2.gz MYXVJICGCURLPV-FQEVSTJZSA-N 1 0 320.436 4.226 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665821 1046407706 /nfs/dbraw/zinc/40/77/06/1046407706.db2.gz MFCBNMXRCHNAJY-OALUTQOASA-N 1 0 306.409 4.317 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1c(N)c(OC)ccc1OC ZINC001139272812 1046422099 /nfs/dbraw/zinc/42/20/99/1046422099.db2.gz IJPZCLFOZIIGSB-UHFFFAOYSA-N 1 0 308.466 4.078 20 30 DIEDRO CC(CCCC[NH+](C)C)N=Nc1nc(-c2ccccc2)cs1 ZINC000781120937 1046424776 /nfs/dbraw/zinc/42/47/76/1046424776.db2.gz DADSSWLZPGDGLB-UHFFFAOYSA-N 1 0 316.474 4.330 20 30 DIEDRO CN(CCC#N)Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC001139331500 1046428742 /nfs/dbraw/zinc/42/87/42/1046428742.db2.gz NWBVBXRTAAPGCL-UHFFFAOYSA-N 1 0 319.330 4.113 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC001254637040 1046430685 /nfs/dbraw/zinc/43/06/85/1046430685.db2.gz NJZGXUUDMCOBFM-VXGBXAGGSA-N 1 0 300.349 4.080 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)C2CCCCC2)c1 ZINC000749129739 1046431806 /nfs/dbraw/zinc/43/18/06/1046431806.db2.gz SUHKBOSBOGCNAZ-QAPCUYQASA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000749129742 1046432402 /nfs/dbraw/zinc/43/24/02/1046432402.db2.gz SUHKBOSBOGCNAZ-YJBOKZPZSA-N 1 0 300.446 4.426 20 30 DIEDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC001168233147 1046435498 /nfs/dbraw/zinc/43/54/98/1046435498.db2.gz CNPLJAVOFVWBFI-HUUCEWRRSA-N 1 0 324.399 4.084 20 30 DIEDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](c1cccc(C#N)c1)C(C)C)C2 ZINC001168241032 1046440557 /nfs/dbraw/zinc/44/05/57/1046440557.db2.gz DRPLMHBDYUZVGE-TZIWHRDSSA-N 1 0 320.436 4.021 20 30 DIEDRO C[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C[C@H]1CC1(C)C ZINC001139405234 1046443763 /nfs/dbraw/zinc/44/37/63/1046443763.db2.gz KZQUAYNBMHMAPM-GOSISDBHSA-N 1 0 305.425 4.098 20 30 DIEDRO C[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)CC1CCCC1 ZINC001139404867 1046443854 /nfs/dbraw/zinc/44/38/54/1046443854.db2.gz CCFYNJSEFFGWCJ-UHFFFAOYSA-N 1 0 305.425 4.242 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405495 1046444132 /nfs/dbraw/zinc/44/41/32/1046444132.db2.gz RRMVZUOCSOWAAH-UHFFFAOYSA-N 1 0 305.425 4.408 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)[C@H](C)C1 ZINC001139407171 1046445343 /nfs/dbraw/zinc/44/53/43/1046445343.db2.gz SMSWJGTWUVPWDT-HZPDHXFCSA-N 1 0 305.425 4.241 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H]1C ZINC001139425306 1046448305 /nfs/dbraw/zinc/44/83/05/1046448305.db2.gz IYFRADWXLYWONS-HZPDHXFCSA-N 1 0 321.424 4.366 20 30 DIEDRO CC1(C)CCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424264 1046448539 /nfs/dbraw/zinc/44/85/39/1046448539.db2.gz NVRDIMDAYZMLNV-UHFFFAOYSA-N 1 0 307.397 4.120 20 30 DIEDRO SC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC001139417418 1046449352 /nfs/dbraw/zinc/44/93/52/1046449352.db2.gz GADHBERFGNQWHJ-UHFFFAOYSA-N 1 0 307.846 4.494 20 30 DIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427452 1046450518 /nfs/dbraw/zinc/45/05/18/1046450518.db2.gz GOSWKBVZLYKQKQ-HZPDHXFCSA-N 1 0 321.424 4.223 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC4CCC3CC4)cn2)cc1 ZINC001139427513 1046450977 /nfs/dbraw/zinc/45/09/77/1046450977.db2.gz IXWLYWVIYIVEDH-UHFFFAOYSA-N 1 0 319.408 4.120 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)cc1F ZINC001139529361 1046463605 /nfs/dbraw/zinc/46/36/05/1046463605.db2.gz ORILYUUOFMCDPZ-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO CCS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000247402848 1046480539 /nfs/dbraw/zinc/48/05/39/1046480539.db2.gz XOSWRTJJVLFGJV-UWWQBHOKSA-N 1 0 318.486 4.131 20 30 DIEDRO CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC001139598768 1046482396 /nfs/dbraw/zinc/48/23/96/1046482396.db2.gz WPNLTHCKXRTORZ-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179124949 1046489004 /nfs/dbraw/zinc/48/90/04/1046489004.db2.gz REDYKSWVSDJQRC-CYBMUJFWSA-N 1 0 302.805 4.151 20 30 DIEDRO CCOc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1CC ZINC001139625354 1046490293 /nfs/dbraw/zinc/49/02/93/1046490293.db2.gz WTWWLRXEKBWFAO-UHFFFAOYSA-N 1 0 300.446 4.306 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781973799 1046490461 /nfs/dbraw/zinc/49/04/61/1046490461.db2.gz JRJQPEJPDUUBBO-OAHLLOKOSA-N 1 0 310.482 4.110 20 30 DIEDRO C[C@@H](C[NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000897472134 1046491249 /nfs/dbraw/zinc/49/12/49/1046491249.db2.gz OVDCNIYMDRFMRB-FUJMWEONSA-N 1 0 321.262 4.225 20 30 DIEDRO N#Cc1ccc(F)c(C[N@H+](Cc2ccccn2)C2CCCCC2)c1 ZINC001139649451 1046495158 /nfs/dbraw/zinc/49/51/58/1046495158.db2.gz IVJCYZGMKIAKHZ-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO C[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccc(Cl)cc1 ZINC001139702877 1046500883 /nfs/dbraw/zinc/50/08/83/1046500883.db2.gz BWCVLANZHPLYCZ-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CCC[C@@H]3c3cccs3)c[nH]c21 ZINC001139703901 1046501132 /nfs/dbraw/zinc/50/11/32/1046501132.db2.gz XFHIXUGQZGKEBH-MRXNPFEDSA-N 1 0 307.422 4.438 20 30 DIEDRO Cc1ccc(CC[N@@H+](C)Cc2c[nH]c3c2cccc3C#N)cc1 ZINC001139703295 1046501238 /nfs/dbraw/zinc/50/12/38/1046501238.db2.gz MRJWTGGJAICTIU-UHFFFAOYSA-N 1 0 303.409 4.023 20 30 DIEDRO N#Cc1cccc2c(C[NH+]3CCC(c4cccs4)CC3)c[nH]c21 ZINC001139703385 1046501420 /nfs/dbraw/zinc/50/14/20/1046501420.db2.gz PMLAPPNHHNZSHY-UHFFFAOYSA-N 1 0 321.449 4.481 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccc(F)cc1 ZINC001139704711 1046502314 /nfs/dbraw/zinc/50/23/14/1046502314.db2.gz BMZMFOFFHONURI-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000092261479 1046502813 /nfs/dbraw/zinc/50/28/13/1046502813.db2.gz PVCIDUYMTQLQAO-QGZVFWFLSA-N 1 0 306.409 4.166 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Sc3ccncc3)CC2)cc1C#N ZINC001139726361 1046507003 /nfs/dbraw/zinc/50/70/03/1046507003.db2.gz KLPOLBGTWYSVHX-UHFFFAOYSA-N 1 0 323.465 4.018 20 30 DIEDRO C=CCn1cc(C[N@H+](Cc2ccccc2)C2CCCCC2)cn1 ZINC001139768724 1046513599 /nfs/dbraw/zinc/51/35/99/1046513599.db2.gz SXJGDTULEOFCLN-UHFFFAOYSA-N 1 0 309.457 4.404 20 30 DIEDRO C=CCn1cc(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)cn1 ZINC001139767949 1046513658 /nfs/dbraw/zinc/51/36/58/1046513658.db2.gz FMMFKRPPRZOTBS-UHFFFAOYSA-N 1 0 315.848 4.102 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1C[NH+]1CCC(CC#N)CC1 ZINC001139822952 1046526133 /nfs/dbraw/zinc/52/61/33/1046526133.db2.gz RICREOWVJZBMFP-UHFFFAOYSA-N 1 0 311.454 4.244 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]2CCCC[C@@H]12 ZINC000782501859 1046529678 /nfs/dbraw/zinc/52/96/78/1046529678.db2.gz AVCWUZQLQOCNJQ-COXVUDFISA-N 1 0 318.848 4.253 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc2nc(C)ccc2c1)c1ccccc1 ZINC000782532460 1046533280 /nfs/dbraw/zinc/53/32/80/1046533280.db2.gz JJVAFABSXLVLOG-HXUWFJFHSA-N 1 0 300.405 4.397 20 30 DIEDRO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001139874907 1046540374 /nfs/dbraw/zinc/54/03/74/1046540374.db2.gz QVVQWAKVYZZVEQ-QGZVFWFLSA-N 1 0 308.400 4.152 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(F)cc(C#N)c1 ZINC001139875428 1046540410 /nfs/dbraw/zinc/54/04/10/1046540410.db2.gz MROFJGCTMAFTPB-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139936377 1046555659 /nfs/dbraw/zinc/55/56/59/1046555659.db2.gz CJEXOIDHLSUWHU-UHFFFAOYSA-N 1 0 308.857 4.355 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000678120551 1046559141 /nfs/dbraw/zinc/55/91/41/1046559141.db2.gz LAZVHFLHFSAONB-UHFFFAOYSA-N 1 0 307.397 4.007 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000783298633 1046574650 /nfs/dbraw/zinc/57/46/50/1046574650.db2.gz NQXJMIFCCCLSBP-SJORKVTESA-N 1 0 322.493 4.110 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc2ccccc2o1 ZINC000783293678 1046574823 /nfs/dbraw/zinc/57/48/23/1046574823.db2.gz JLWJDPIFZNLQIL-IBGZPJMESA-N 1 0 305.381 4.186 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C2CCCCC2)nc1 ZINC000783300185 1046576704 /nfs/dbraw/zinc/57/67/04/1046576704.db2.gz JVTZKSWPZGTEDY-OAQYLSRUSA-N 1 0 319.452 4.234 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc2ccccc21 ZINC000783300153 1046576723 /nfs/dbraw/zinc/57/67/23/1046576723.db2.gz IZOMGTJRPCDQDG-FQEVSTJZSA-N 1 0 301.393 4.347 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)nc1 ZINC000783299420 1046577877 /nfs/dbraw/zinc/57/78/77/1046577877.db2.gz BYMIQGNJLJPAQY-WMZOPIPTSA-N 1 0 311.816 4.033 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000783328433 1046582830 /nfs/dbraw/zinc/58/28/30/1046582830.db2.gz BBMJZFHRSQDCQQ-IUODEOHRSA-N 1 0 314.351 4.217 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000194621564 1046585223 /nfs/dbraw/zinc/58/52/23/1046585223.db2.gz GPFBPFRXSYZDDN-APWZRJJASA-N 1 0 322.456 4.132 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)c2c1 ZINC001140114746 1046591063 /nfs/dbraw/zinc/59/10/63/1046591063.db2.gz YDEDNVXWBNDPPX-GOSISDBHSA-N 1 0 315.420 4.104 20 30 DIEDRO C=C(C)COc1cc(C[N@H+](CC)Cc2ccoc2)ccc1OC ZINC000678233934 1046592820 /nfs/dbraw/zinc/59/28/20/1046592820.db2.gz ITMHQQJPGDMYJP-UHFFFAOYSA-N 1 0 315.413 4.265 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000678238411 1046595320 /nfs/dbraw/zinc/59/53/20/1046595320.db2.gz IEATWGRRUCUXEX-NRFANRHFSA-N 1 0 323.436 4.215 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000678238446 1046596362 /nfs/dbraw/zinc/59/63/62/1046596362.db2.gz JFTYKFZGIGINRM-OAQYLSRUSA-N 1 0 323.436 4.215 20 30 DIEDRO COc1ccc(C[NH2+]C2(C)CCCCC2)cc1OCCCC#N ZINC000237318376 1046597750 /nfs/dbraw/zinc/59/77/50/1046597750.db2.gz PPUKSBYYPSMNSL-UHFFFAOYSA-N 1 0 316.445 4.190 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000163435639 1046601907 /nfs/dbraw/zinc/60/19/07/1046601907.db2.gz VBVIJWNHXOQDHW-ZOBUZTSGSA-N 1 0 323.864 4.020 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000783518283 1046604291 /nfs/dbraw/zinc/60/42/91/1046604291.db2.gz LOSKCKVVDOZQKY-CYBMUJFWSA-N 1 0 314.429 4.140 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccncc2)cc1)Cc1cccc(C#N)c1 ZINC001140175376 1046607315 /nfs/dbraw/zinc/60/73/15/1046607315.db2.gz ZZKJEPVQPJYCHB-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000248402553 1046608477 /nfs/dbraw/zinc/60/84/77/1046608477.db2.gz VPLUHORDGPXRKC-YLFCFFPRSA-N 1 0 322.493 4.109 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@H]2CCC[C@@H](C)C2)cc1 ZINC000237350612 1046609247 /nfs/dbraw/zinc/60/92/47/1046609247.db2.gz NHUWBXUQQPSYSR-IXDOHACOSA-N 1 0 300.446 4.283 20 30 DIEDRO C=C(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000783601850 1046613769 /nfs/dbraw/zinc/61/37/69/1046613769.db2.gz UXIWWKYFRUJYBX-UHFFFAOYSA-N 1 0 302.761 4.051 20 30 DIEDRO Cc1cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c(C)cc1O ZINC001140201498 1046614217 /nfs/dbraw/zinc/61/42/17/1046614217.db2.gz OOIIFFFSIRKKJI-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1 ZINC000783636875 1046616932 /nfs/dbraw/zinc/61/69/32/1046616932.db2.gz DROBPXCNZUPXOP-HNNXBMFYSA-N 1 0 317.776 4.050 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000834435404 1046617222 /nfs/dbraw/zinc/61/72/22/1046617222.db2.gz CWJGMRMLEMHGLK-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000642629923 1046624949 /nfs/dbraw/zinc/62/49/49/1046624949.db2.gz DGIWNZGFMVENJV-UHFFFAOYSA-N 1 0 311.400 4.212 20 30 DIEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000093453446 1046629389 /nfs/dbraw/zinc/62/93/89/1046629389.db2.gz IUCKOHODJJUAHD-OAQYLSRUSA-N 1 0 320.436 4.129 20 30 DIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2ccc(C#N)cc2F)c1C ZINC000532987052 1046635313 /nfs/dbraw/zinc/63/53/13/1046635313.db2.gz RRKKCGBWXSRYAX-UHFFFAOYSA-N 1 0 321.399 4.394 20 30 DIEDRO C=CCCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001140295984 1046643699 /nfs/dbraw/zinc/64/36/99/1046643699.db2.gz SSXNXZDGGSQJBL-GOSISDBHSA-N 1 0 306.494 4.036 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)C(C)(C)CC)ccc1OC ZINC000834645281 1046645336 /nfs/dbraw/zinc/64/53/36/1046645336.db2.gz AFTGSZBSBNGDFU-GOEBONIOSA-N 1 0 318.461 4.290 20 30 DIEDRO C=CCC[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000533058902 1046645957 /nfs/dbraw/zinc/64/59/57/1046645957.db2.gz UCDMXTZESIAOBO-INIZCTEOSA-N 1 0 301.821 4.443 20 30 DIEDRO C#CCCCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000784049075 1046655875 /nfs/dbraw/zinc/65/58/75/1046655875.db2.gz YMNQUYMPXVQCMU-AWEZNQCLSA-N 1 0 312.276 4.355 20 30 DIEDRO N#Cc1cccc(CNc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000533219176 1046672307 /nfs/dbraw/zinc/67/23/07/1046672307.db2.gz JCFRUAWBDMTIBK-UHFFFAOYSA-N 1 0 319.452 4.199 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000834819525 1046676675 /nfs/dbraw/zinc/67/66/75/1046676675.db2.gz XOCFIAAGDMALTC-ZBFHGGJFSA-N 1 0 324.449 4.129 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000834840888 1046684249 /nfs/dbraw/zinc/68/42/49/1046684249.db2.gz NUVOCVHDEFCFIB-LPHOPBHVSA-N 1 0 320.436 4.360 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000834840890 1046684403 /nfs/dbraw/zinc/68/44/03/1046684403.db2.gz NUVOCVHDEFCFIB-VQIMIIECSA-N 1 0 320.436 4.360 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)c2)cc1 ZINC000834861263 1046688062 /nfs/dbraw/zinc/68/80/62/1046688062.db2.gz YKQDIIDRBDFEFK-OAHLLOKOSA-N 1 0 316.832 4.372 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccnc(C)c2)cc1 ZINC000834861259 1046688853 /nfs/dbraw/zinc/68/88/53/1046688853.db2.gz YKQDIIDRBDFEFK-HNNXBMFYSA-N 1 0 316.832 4.372 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000678737224 1046691508 /nfs/dbraw/zinc/69/15/08/1046691508.db2.gz MCSHLCNBLOXRAL-DLBZAZTESA-N 1 0 320.436 4.391 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000678741934 1046692835 /nfs/dbraw/zinc/69/28/35/1046692835.db2.gz HEDTUOUTJCDBDE-SJORKVTESA-N 1 0 308.425 4.113 20 30 DIEDRO Cc1nc(C)c([C@@H](C)N(C)CC#Cc2cccc(Cl)c2)s1 ZINC000533325554 1046696163 /nfs/dbraw/zinc/69/61/63/1046696163.db2.gz NUGGRYWXHSXRPT-CYBMUJFWSA-N 1 0 318.873 4.458 20 30 DIEDRO C[C@]1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1(Cl)Cl ZINC000834884114 1046696627 /nfs/dbraw/zinc/69/66/27/1046696627.db2.gz KJMBYJKMYWQMDS-LSDHHAIUSA-N 1 0 309.240 4.109 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCC#N ZINC000784621163 1046701147 /nfs/dbraw/zinc/70/11/47/1046701147.db2.gz FZXMSDCOXBXWBA-UHFFFAOYSA-N 1 0 316.836 4.042 20 30 DIEDRO C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc(C#N)c(F)c1 ZINC000834892258 1046701922 /nfs/dbraw/zinc/70/19/22/1046701922.db2.gz KWSBXDSYJOAMCR-IINYFYTJSA-N 1 0 315.219 4.322 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc(C#N)cc1F ZINC000834895041 1046707073 /nfs/dbraw/zinc/70/70/73/1046707073.db2.gz WVKZRXALFYMORA-YGRLFVJLSA-N 1 0 315.219 4.322 20 30 DIEDRO COc1ccc2c(N[C@H]3CCc4cc(C#N)ccc43)cc[nH+]c2c1 ZINC000784827218 1046711846 /nfs/dbraw/zinc/71/18/46/1046711846.db2.gz GDMSFIIZSFYAOS-SFHVURJKSA-N 1 0 315.376 4.214 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000834904589 1046714497 /nfs/dbraw/zinc/71/44/97/1046714497.db2.gz ZPFBAJVSRKUSTM-NQIIRXRSSA-N 1 0 323.411 4.065 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000834904593 1046714797 /nfs/dbraw/zinc/71/47/97/1046714797.db2.gz ZPFBAJVSRKUSTM-WIYYLYMNSA-N 1 0 323.411 4.065 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000834902353 1046714861 /nfs/dbraw/zinc/71/48/61/1046714861.db2.gz HCUZVZDTBGFQAU-CVEARBPZSA-N 1 0 323.864 4.285 20 30 DIEDRO CCCCCC[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000796664562 1046717268 /nfs/dbraw/zinc/71/72/68/1046717268.db2.gz ZFNVOEUOCFSCQZ-KRWDZBQOSA-N 1 0 313.489 4.476 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000250069057 1046717233 /nfs/dbraw/zinc/71/72/33/1046717233.db2.gz NUJNARGQIYXSJF-QILLFSRXSA-N 1 0 323.864 4.020 20 30 DIEDRO C=CCN(Cc1cnc2ccc(Cl)cn12)Cc1ccccc1 ZINC001140431669 1046720898 /nfs/dbraw/zinc/72/08/98/1046720898.db2.gz GSYPHVFNHDPYIE-UHFFFAOYSA-N 1 0 311.816 4.176 20 30 DIEDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000835041529 1046746004 /nfs/dbraw/zinc/74/60/04/1046746004.db2.gz MUBHHUXBIMRHGI-CQQBXOTJSA-N 1 0 319.452 4.400 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1c(F)cc(C#N)cc1F ZINC001211994003 1046748615 /nfs/dbraw/zinc/74/86/15/1046748615.db2.gz JBVHEPWXOQZTBI-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(OC)cc1C#N ZINC001211994271 1046749745 /nfs/dbraw/zinc/74/97/45/1046749745.db2.gz PVLHMSNTZNDXQA-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(C#N)ccc1NC ZINC001211995809 1046761786 /nfs/dbraw/zinc/76/17/86/1046761786.db2.gz MJPLKLHNBRVMJO-UHFFFAOYSA-N 1 0 308.429 4.185 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccco1 ZINC000796943497 1046761949 /nfs/dbraw/zinc/76/19/49/1046761949.db2.gz ZHLXEAOYEWIPGY-SJLPKXTDSA-N 1 0 319.832 4.438 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(F)c(F)c(C#N)c1 ZINC001211995938 1046763693 /nfs/dbraw/zinc/76/36/93/1046763693.db2.gz OVPDJBUIBWFEFC-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1c(F)ccc(F)c1C#N ZINC001211997588 1046773939 /nfs/dbraw/zinc/77/39/39/1046773939.db2.gz ALACNIPIHWRJSK-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC001255155629 1046783055 /nfs/dbraw/zinc/78/30/55/1046783055.db2.gz RSFAGHORAZPSLS-UKRRQHHQSA-N 1 0 307.235 4.108 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3[nH]c(C)cc3c2)cc1 ZINC000797135760 1046794540 /nfs/dbraw/zinc/79/45/40/1046794540.db2.gz UCGZRXYBVVMAEF-MRXNPFEDSA-N 1 0 318.420 4.339 20 30 DIEDRO Cc1ccc(F)cc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001140593091 1046799222 /nfs/dbraw/zinc/79/92/22/1046799222.db2.gz QBRFBSLKNZDPAN-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001140594849 1046801987 /nfs/dbraw/zinc/80/19/87/1046801987.db2.gz RLOFGWXLOPLQQD-HXUWFJFHSA-N 1 0 324.399 4.049 20 30 DIEDRO N#Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001140604293 1046808724 /nfs/dbraw/zinc/80/87/24/1046808724.db2.gz YONGIHZEVOCVBM-GASCZTMLSA-N 1 0 308.812 4.298 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679356333 1046824745 /nfs/dbraw/zinc/82/47/45/1046824745.db2.gz UEVRUJYSIPYMKH-MAZHCROVSA-N 1 0 324.262 4.223 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc(C)c1O ZINC001140654882 1046837176 /nfs/dbraw/zinc/83/71/76/1046837176.db2.gz IYQRHGVMYZEHSN-UHFFFAOYSA-N 1 0 320.436 4.066 20 30 DIEDRO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc(Cl)n1 ZINC000797589900 1046860904 /nfs/dbraw/zinc/86/09/04/1046860904.db2.gz RCLBZCOLDSBQMS-UHFFFAOYSA-N 1 0 313.832 4.326 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000679576225 1046873844 /nfs/dbraw/zinc/87/38/44/1046873844.db2.gz LAJBIOIIESXRCU-LBPRGKRZSA-N 1 0 319.392 4.194 20 30 DIEDRO C=CC[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccncc1 ZINC000796308312 1046875594 /nfs/dbraw/zinc/87/55/94/1046875594.db2.gz PSLMBNHOBAVWMI-AJNOYIKESA-N 1 0 300.352 4.280 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3occc3c2)c1 ZINC000796308708 1046876969 /nfs/dbraw/zinc/87/69/69/1046876969.db2.gz SILFACNKHMCULM-GOSISDBHSA-N 1 0 320.392 4.404 20 30 DIEDRO C[N@H+](Cc1ccccc1)C1CCC(=NOC2CCCC2)CC1 ZINC000797786069 1046881263 /nfs/dbraw/zinc/88/12/63/1046881263.db2.gz FMLRYZSOIUPYQU-UHFFFAOYSA-N 1 0 300.446 4.376 20 30 DIEDRO C[C@@H](Cc1cccs1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237385683 1046883411 /nfs/dbraw/zinc/88/34/11/1046883411.db2.gz KKKHSXHJPLVZGE-HNNXBMFYSA-N 1 0 314.454 4.151 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755221 1046888075 /nfs/dbraw/zinc/88/80/75/1046888075.db2.gz VSUKOVQZPXGOPT-UHFFFAOYSA-N 1 0 320.770 4.164 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000614963243 1046892277 /nfs/dbraw/zinc/89/22/77/1046892277.db2.gz ZCAGDYBSVFDZDP-DNVCBOLYSA-N 1 0 308.450 4.409 20 30 DIEDRO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CCc4ccccc43)CC2)cc1 ZINC000614963412 1046892540 /nfs/dbraw/zinc/89/25/40/1046892540.db2.gz CEVRYTKVNWREIC-OAQYLSRUSA-N 1 0 300.405 4.335 20 30 DIEDRO N#CCC[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)CC1CC1 ZINC000303205706 1046893310 /nfs/dbraw/zinc/89/33/10/1046893310.db2.gz NBBJKTNYEWUORU-UHFFFAOYSA-N 1 0 324.424 4.143 20 30 DIEDRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001140781957 1046896403 /nfs/dbraw/zinc/89/64/03/1046896403.db2.gz WHUXUKDOUIFICP-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO CCC[N@H+](CCc1ccccn1)Cc1cccc(C#N)c1Cl ZINC001140813000 1046913074 /nfs/dbraw/zinc/91/30/74/1046913074.db2.gz RVQZJASZUBUJBN-UHFFFAOYSA-N 1 0 313.832 4.061 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000796333395 1046925540 /nfs/dbraw/zinc/92/55/40/1046925540.db2.gz KOICCJWAFCUVCS-GJZGRUSLSA-N 1 0 309.416 4.230 20 30 DIEDRO CCCCCOc1cc(C)ccc1CNCc1ccc(C#N)o1 ZINC000152514229 1046936112 /nfs/dbraw/zinc/93/61/12/1046936112.db2.gz UDRSCRVEYGXNGN-UHFFFAOYSA-N 1 0 312.413 4.319 20 30 DIEDRO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000303665896 1046940235 /nfs/dbraw/zinc/94/02/35/1046940235.db2.gz FGVGSTBDDRXCPI-DNVCBOLYSA-N 1 0 308.450 4.237 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)C1 ZINC001203074405 1046941156 /nfs/dbraw/zinc/94/11/56/1046941156.db2.gz HAJVONWNPFQGJZ-CVEARBPZSA-N 1 0 322.493 4.158 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000303703358 1046947480 /nfs/dbraw/zinc/94/74/80/1046947480.db2.gz BJASOHREXVNNOQ-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO CCc1ccc(NC(=[NH2+])NCc2cccc(C(F)(F)F)c2)cc1 ZINC000303704396 1046948876 /nfs/dbraw/zinc/94/88/76/1046948876.db2.gz KEEUTISRGQKEGB-UHFFFAOYSA-N 1 0 321.346 4.195 20 30 DIEDRO Cc1ccc([C@H](CNc2cc(Cl)ccc2C#N)[NH+](C)C)cc1 ZINC000303751369 1046953957 /nfs/dbraw/zinc/95/39/57/1046953957.db2.gz HXCANQWHOYMDEC-SFHVURJKSA-N 1 0 313.832 4.235 20 30 DIEDRO CCCN(CCC#N)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140944794 1046957918 /nfs/dbraw/zinc/95/79/18/1046957918.db2.gz SYAQUGDEDZOWNA-UHFFFAOYSA-N 1 0 301.821 4.256 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c(O)c1 ZINC001140951074 1046960441 /nfs/dbraw/zinc/96/04/41/1046960441.db2.gz XNLOXUMPONSVGV-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCc2ccc(F)c(Cl)c2)cc1C ZINC000303770305 1046964658 /nfs/dbraw/zinc/96/46/58/1046964658.db2.gz BVOAEZDJXKHSRR-UHFFFAOYSA-N 1 0 305.784 4.023 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1 ZINC000237474089 1046969397 /nfs/dbraw/zinc/96/93/97/1046969397.db2.gz VZZUZBORWRZKBD-HNNXBMFYSA-N 1 0 305.377 4.296 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000798936696 1046990847 /nfs/dbraw/zinc/99/08/47/1046990847.db2.gz KJPSINVKEKWCMI-GJZGRUSLSA-N 1 0 322.880 4.182 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001258722406 1046994075 /nfs/dbraw/zinc/99/40/75/1046994075.db2.gz IBLCNFDKZCYHEL-WBMJQRKESA-N 1 0 308.263 4.251 20 30 DIEDRO CCCCCCCCCC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799027768 1046996835 /nfs/dbraw/zinc/99/68/35/1046996835.db2.gz CYBNYMXTLRFFLH-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCCc2cccc3ccccc32)c1 ZINC000303892573 1047002969 /nfs/dbraw/zinc/00/29/69/1047002969.db2.gz NOPMCQSATVGLIQ-UHFFFAOYSA-N 1 0 303.409 4.118 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)C(c1ccccc1)c1ccccc1 ZINC000237477338 1047004483 /nfs/dbraw/zinc/00/44/83/1047004483.db2.gz WEWNGGPZTQRHEW-MRXNPFEDSA-N 1 0 316.404 4.461 20 30 DIEDRO Cc1ccc2c(CCNC(=[NH2+])Nc3ccc(C)c(C)c3)c[nH]c2c1 ZINC000303972544 1047012143 /nfs/dbraw/zinc/01/21/43/1047012143.db2.gz FXZMYHJQCJISCZ-UHFFFAOYSA-N 1 0 320.440 4.062 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000303983129 1047012318 /nfs/dbraw/zinc/01/23/18/1047012318.db2.gz AQDRRSVOYRZNPG-ZACQAIPSSA-N 1 0 322.493 4.110 20 30 DIEDRO CCC[N@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1 ZINC001141111952 1047018422 /nfs/dbraw/zinc/01/84/22/1047018422.db2.gz JOISYVABEHJLIW-UHFFFAOYSA-N 1 0 319.861 4.268 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1Cl ZINC001141112962 1047018461 /nfs/dbraw/zinc/01/84/61/1047018461.db2.gz RGEDPAPQYQIEBK-CYBMUJFWSA-N 1 0 323.893 4.400 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000097287584 1047028925 /nfs/dbraw/zinc/02/89/25/1047028925.db2.gz YZHOFBWGEFRIFL-UHFFFAOYSA-N 1 0 301.478 4.341 20 30 DIEDRO CCO[C@H](CCNC(=[NH2+])Nc1ccc(C)c(C)c1)C1CCCC1 ZINC000304516233 1047038008 /nfs/dbraw/zinc/03/80/08/1047038008.db2.gz VRZBNWPXHGTBJQ-GOSISDBHSA-N 1 0 317.477 4.015 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c(F)c1 ZINC001141196462 1047039650 /nfs/dbraw/zinc/03/96/50/1047039650.db2.gz QHKCABYBCNYZRW-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000615131460 1047041172 /nfs/dbraw/zinc/04/11/72/1047041172.db2.gz NLKFDDRLANNKLS-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO C[N@H+](CCSCc1cc(F)ccc1C#N)Cc1ccccc1 ZINC000433038267 1047046852 /nfs/dbraw/zinc/04/68/52/1047046852.db2.gz GFWROLOTMGVIHU-UHFFFAOYSA-N 1 0 314.429 4.063 20 30 DIEDRO Cc1c(CNC(=[NH2+])Nc2cc(C)cc(C)c2)oc2ccccc12 ZINC000304741479 1047050443 /nfs/dbraw/zinc/05/04/43/1047050443.db2.gz CEBPIFAJDPKLQM-UHFFFAOYSA-N 1 0 307.397 4.285 20 30 DIEDRO CCc1ccc(NC(=[NH2+])NCC(C)(C)c2cccs2)cc1 ZINC000304754895 1047050603 /nfs/dbraw/zinc/05/06/03/1047050603.db2.gz MHELZHNPNPTKSX-UHFFFAOYSA-N 1 0 301.459 4.015 20 30 DIEDRO CSCCCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000304750738 1047051224 /nfs/dbraw/zinc/05/12/24/1047051224.db2.gz IQEOSYUQJKNANS-UHFFFAOYSA-N 1 0 305.491 4.084 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCCc2ccc(F)cc2F)c1 ZINC000304740044 1047051435 /nfs/dbraw/zinc/05/14/35/1047051435.db2.gz BLWZADHBISKUOD-UHFFFAOYSA-N 1 0 317.383 4.058 20 30 DIEDRO CCc1nc(CNC(=[NH2+])Nc2ccc([C@H](C)CC)cc2)cs1 ZINC000304758995 1047052611 /nfs/dbraw/zinc/05/26/11/1047052611.db2.gz QTDGIULLMFNTRD-GFCCVEGCSA-N 1 0 316.474 4.146 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCC2(c3cccc(Cl)c3)CC2)c1 ZINC000304759535 1047053187 /nfs/dbraw/zinc/05/31/87/1047053187.db2.gz RHWROGOTVMKKSH-UHFFFAOYSA-N 1 0 313.832 4.107 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCc2ccccc2OC2CCC2)c1 ZINC000304765869 1047053714 /nfs/dbraw/zinc/05/37/14/1047053714.db2.gz ZWQGZOMFXPUVHK-UHFFFAOYSA-N 1 0 323.440 4.107 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)Oc2ccccc2)c1 ZINC000304765771 1047054150 /nfs/dbraw/zinc/05/41/50/1047054150.db2.gz ZSCDYAHTGFTKMZ-HNNXBMFYSA-N 1 0 311.429 4.004 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cc(C(C)C)no2)cc1 ZINC000304761090 1047054607 /nfs/dbraw/zinc/05/46/07/1047054607.db2.gz UAAQAURQMSXKMK-ZDUSSCGKSA-N 1 0 314.433 4.238 20 30 DIEDRO CN(c1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1)C1CCCCC1 ZINC000799716680 1047055721 /nfs/dbraw/zinc/05/57/21/1047055721.db2.gz VDOZYBSWONVPQJ-MSOLQXFVSA-N 1 0 311.473 4.237 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000536664065 1047057102 /nfs/dbraw/zinc/05/71/02/1047057102.db2.gz DBQLCWIQWKQBGO-UXHICEINSA-N 1 0 320.436 4.275 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)[C@@H]1c1cccc(F)c1 ZINC000536666295 1047057308 /nfs/dbraw/zinc/05/73/08/1047057308.db2.gz LPSFSKLJCYOQIS-SJCJKPOMSA-N 1 0 300.402 4.342 20 30 DIEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc2c(c1)CCCO2 ZINC000799726549 1047057266 /nfs/dbraw/zinc/05/72/66/1047057266.db2.gz PRFXNDBUKUHCDY-LADRWXRNSA-N 1 0 312.457 4.382 20 30 DIEDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000536669099 1047061277 /nfs/dbraw/zinc/06/12/77/1047061277.db2.gz OMAPGILWRIVKIF-LJQANCHMSA-N 1 0 300.446 4.380 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000536680249 1047069655 /nfs/dbraw/zinc/06/96/55/1047069655.db2.gz HZUGOMDFMGMYLC-UHFFFAOYSA-N 1 0 319.399 4.165 20 30 DIEDRO CN(C)c1cccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001141270038 1047069710 /nfs/dbraw/zinc/06/97/10/1047069710.db2.gz DQZVRJXJSFXIPT-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[NH+]3C4CCC3CC4)cc2)cc1 ZINC001141293734 1047079107 /nfs/dbraw/zinc/07/91/07/1047079107.db2.gz HFVSPXSMXAPXPS-UHFFFAOYSA-N 1 0 304.393 4.477 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H]3CF)cc2)cc1 ZINC001141297854 1047080192 /nfs/dbraw/zinc/08/01/92/1047080192.db2.gz CXCWCKNYAMYSEA-QGZVFWFLSA-N 1 0 310.372 4.284 20 30 DIEDRO COc1ccsc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001141329088 1047094868 /nfs/dbraw/zinc/09/48/68/1047094868.db2.gz DQAZIVUTPICSEX-UHFFFAOYSA-N 1 0 311.450 4.020 20 30 DIEDRO C=CCCCC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000681135196 1047101822 /nfs/dbraw/zinc/10/18/22/1047101822.db2.gz WPIMVCBPBASOPU-UHFFFAOYSA-N 1 0 303.837 4.031 20 30 DIEDRO C[C@]1(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1(Cl)Cl ZINC000827520598 1047108562 /nfs/dbraw/zinc/10/85/62/1047108562.db2.gz GZAHCEHVBCJPTP-OAHLLOKOSA-N 1 0 309.240 4.107 20 30 DIEDRO CCCCCCCCCN(C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000827533123 1047114692 /nfs/dbraw/zinc/11/46/92/1047114692.db2.gz CVKBQGPBYAWQTE-UHFFFAOYSA-N 1 0 302.462 4.112 20 30 DIEDRO CC[C@H](C)[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000536871018 1047116605 /nfs/dbraw/zinc/11/66/05/1047116605.db2.gz PTWLCNLJBXGKBL-QEFXCSQDSA-N 1 0 300.446 4.272 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000536984535 1047126699 /nfs/dbraw/zinc/12/66/99/1047126699.db2.gz GSIAGKBOALJIQE-JKIFEVAISA-N 1 0 317.864 4.053 20 30 DIEDRO C=CCCC[C@@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000536995558 1047128031 /nfs/dbraw/zinc/12/80/31/1047128031.db2.gz SSMOYHZWVWQIRX-GOSISDBHSA-N 1 0 315.505 4.365 20 30 DIEDRO COc1ccccc1[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC000537039361 1047131699 /nfs/dbraw/zinc/13/16/99/1047131699.db2.gz OMEGAMVWHJTEDH-QGZVFWFLSA-N 1 0 310.372 4.043 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1 ZINC000537060588 1047134028 /nfs/dbraw/zinc/13/40/28/1047134028.db2.gz JTWWYRQIVWBHKH-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1F ZINC000537048125 1047135162 /nfs/dbraw/zinc/13/51/62/1047135162.db2.gz MFYDLZCEYZKKMK-UHFFFAOYSA-N 1 0 312.363 4.396 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CCc4c3cccc4F)CC2)cc1 ZINC001116436242 1047139848 /nfs/dbraw/zinc/13/98/48/1047139848.db2.gz FTFXCZYWHQOIML-OAQYLSRUSA-N 1 0 318.395 4.474 20 30 DIEDRO C[C@@H](CCC1CCCCC1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001116461052 1047145576 /nfs/dbraw/zinc/14/55/76/1047145576.db2.gz DPPCIEWMVHLPGH-INIZCTEOSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1cccc(C#N)c1 ZINC000537288471 1047159087 /nfs/dbraw/zinc/15/90/87/1047159087.db2.gz CDSMMXDTKIDBEZ-FIKGOQFSSA-N 1 0 319.452 4.044 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000537293547 1047160855 /nfs/dbraw/zinc/16/08/55/1047160855.db2.gz WNUDPDSQCWNFQG-CABCVRRESA-N 1 0 324.424 4.377 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2cccc(OCC#N)c2)cc1 ZINC001116639018 1047165144 /nfs/dbraw/zinc/16/51/44/1047165144.db2.gz FPSGHNSAVHFBFJ-LEWJYISDSA-N 1 0 320.436 4.323 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1Cl ZINC000537342932 1047173220 /nfs/dbraw/zinc/17/32/20/1047173220.db2.gz GXYWMKIVSMQNSC-YJBOKZPZSA-N 1 0 323.864 4.198 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000649779614 1047174386 /nfs/dbraw/zinc/17/43/86/1047174386.db2.gz OTQXDFWLDVAELO-YQQAZPJKSA-N 1 0 317.477 4.192 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000838959260 1047178097 /nfs/dbraw/zinc/17/80/97/1047178097.db2.gz ZUFOIVPRVOHBMZ-ZJOUEHCJSA-N 1 0 320.436 4.261 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cc3cccc(Cl)c3nc2Cl)C1 ZINC001141550244 1047179231 /nfs/dbraw/zinc/17/92/31/1047179231.db2.gz SAVFUPHIEZBVNP-LBPRGKRZSA-N 1 0 319.235 4.387 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001116824998 1047180951 /nfs/dbraw/zinc/18/09/51/1047180951.db2.gz CDVLEBHEHZOOGJ-JEBQAFNWSA-N 1 0 318.420 4.398 20 30 DIEDRO C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(C#N)c(F)c1 ZINC000537407495 1047181655 /nfs/dbraw/zinc/18/16/55/1047181655.db2.gz RIUFKZFJLWXAMM-CQSZACIVSA-N 1 0 321.399 4.462 20 30 DIEDRO CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433302372 1047183771 /nfs/dbraw/zinc/18/37/71/1047183771.db2.gz XOKLDDJQSYPAJL-AWEZNQCLSA-N 1 0 309.251 4.382 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000666866306 1047198495 /nfs/dbraw/zinc/19/84/95/1047198495.db2.gz LWTBQHVEIGDBQI-HNNXBMFYSA-N 1 0 317.477 4.000 20 30 DIEDRO C#CCCOc1ccc(CNc2ccc(C[NH+](C)C)c(C)c2)cc1 ZINC000839188410 1047203018 /nfs/dbraw/zinc/20/30/18/1047203018.db2.gz HUQLSCRVYYJAMT-UHFFFAOYSA-N 1 0 322.452 4.071 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839170412 1047203131 /nfs/dbraw/zinc/20/31/31/1047203131.db2.gz MFKYVVDDWIDELX-LEWJYISDSA-N 1 0 320.436 4.357 20 30 DIEDRO N#CCC[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)C1CCCC1 ZINC001141583887 1047203701 /nfs/dbraw/zinc/20/37/01/1047203701.db2.gz WQIGJHQZCDSFCI-UHFFFAOYSA-N 1 0 301.821 4.480 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000796417012 1047219481 /nfs/dbraw/zinc/21/94/81/1047219481.db2.gz LVGXXELJDIDAQM-YLJYHZDGSA-N 1 0 301.474 4.485 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(OC)cc1OC ZINC001203112719 1047239455 /nfs/dbraw/zinc/23/94/55/1047239455.db2.gz CPJQCUXSLUNYDT-CJNGLKHVSA-N 1 0 307.409 4.067 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H](O)c1ccccc1 ZINC000839602085 1047250224 /nfs/dbraw/zinc/25/02/24/1047250224.db2.gz OWIIAFCXAYRNEG-MOPGFXCFSA-N 1 0 314.473 4.198 20 30 DIEDRO C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000897629898 1047251455 /nfs/dbraw/zinc/25/14/55/1047251455.db2.gz OAZYCMXEPDOWRR-INTQDDNPSA-N 1 0 323.874 4.011 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001203112898 1047253092 /nfs/dbraw/zinc/25/30/92/1047253092.db2.gz FIXGEGKQGIHZMO-GUYCJALGSA-N 1 0 305.849 4.499 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC001141662655 1047254704 /nfs/dbraw/zinc/25/47/04/1047254704.db2.gz WEIBNHSNGUHISH-UHFFFAOYSA-N 1 0 307.235 4.109 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000386709134 1047278641 /nfs/dbraw/zinc/27/86/41/1047278641.db2.gz OZWFONBUFKHSHM-BRWVUGGUSA-N 1 0 322.493 4.110 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141740294 1047282849 /nfs/dbraw/zinc/28/28/49/1047282849.db2.gz XZKWWZZDZCUMTB-MRXNPFEDSA-N 1 0 302.421 4.383 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001141739189 1047284413 /nfs/dbraw/zinc/28/44/13/1047284413.db2.gz HMVBHTJZHXVXRX-UHFFFAOYSA-N 1 0 302.421 4.383 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)CC1 ZINC000897882311 1047295933 /nfs/dbraw/zinc/29/59/33/1047295933.db2.gz LUEFYFBCESBSAD-VEUGXTJMSA-N 1 0 304.384 4.273 20 30 DIEDRO CCC[C@@](C)([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000897925827 1047300841 /nfs/dbraw/zinc/30/08/41/1047300841.db2.gz LLTZFVFHLJHRQD-HXUWFJFHSA-N 1 0 318.424 4.011 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000390855917 1047301581 /nfs/dbraw/zinc/30/15/81/1047301581.db2.gz JNWRWGRQBYZPHF-ZFWWWQNUSA-N 1 0 308.372 4.065 20 30 DIEDRO N#Cc1ccc(Br)cc1CN1CCC2(CCC2)CC1 ZINC001141897611 1047305917 /nfs/dbraw/zinc/30/59/17/1047305917.db2.gz XWTSKWLDNWSGEI-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](C)Cc1ccc(C#N)c(SC)n1 ZINC001141941247 1047313737 /nfs/dbraw/zinc/31/37/37/1047313737.db2.gz AZXPQNLDERMIEH-QGZVFWFLSA-N 1 0 311.454 4.258 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccncc1 ZINC000840724235 1047320709 /nfs/dbraw/zinc/32/07/09/1047320709.db2.gz VEBRGAIHMJKSCI-YESZJQIVSA-N 1 0 302.462 4.271 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000651720852 1047325672 /nfs/dbraw/zinc/32/56/72/1047325672.db2.gz MAIUZNRYPONRNZ-GOEBONIOSA-N 1 0 313.470 4.082 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCOC)cc1 ZINC000840836201 1047340625 /nfs/dbraw/zinc/34/06/25/1047340625.db2.gz GAHPUUQOTZCWTG-DZGCQCFKSA-N 1 0 311.853 4.141 20 30 DIEDRO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000105496675 1047341261 /nfs/dbraw/zinc/34/12/61/1047341261.db2.gz ZNOFMCNEYYUMPE-NRFANRHFSA-N 1 0 320.436 4.455 20 30 DIEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000726232653 1047341644 /nfs/dbraw/zinc/34/16/44/1047341644.db2.gz VPVAWMJRCSAMIO-MRXNPFEDSA-N 1 0 323.864 4.243 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000840871385 1047348774 /nfs/dbraw/zinc/34/87/74/1047348774.db2.gz DXBVZWGAHZIDBM-AESZEHBQSA-N 1 0 323.864 4.282 20 30 DIEDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000840936585 1047360541 /nfs/dbraw/zinc/36/05/41/1047360541.db2.gz LXWCRZNXLBQFHT-FQEVSTJZSA-N 1 0 307.441 4.196 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000726597280 1047367352 /nfs/dbraw/zinc/36/73/52/1047367352.db2.gz FDBUEGWGJVNERL-MRXNPFEDSA-N 1 0 321.262 4.150 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000726697491 1047375293 /nfs/dbraw/zinc/37/52/93/1047375293.db2.gz KZZVSVHVKJCHFO-OAQYLSRUSA-N 1 0 323.436 4.194 20 30 DIEDRO N#CC1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000726963847 1047395505 /nfs/dbraw/zinc/39/55/05/1047395505.db2.gz OKAZRUMWALFWRP-UHFFFAOYSA-N 1 0 306.365 4.027 20 30 DIEDRO C=CCCn1cc(C[NH2+][C@H](c2cccs2)C(CC)CC)nn1 ZINC000653603609 1047406488 /nfs/dbraw/zinc/40/64/88/1047406488.db2.gz WOCJXFYPVGVJIE-KRWDZBQOSA-N 1 0 318.490 4.183 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000116927163 1047415977 /nfs/dbraw/zinc/41/59/77/1047415977.db2.gz ROBBFXZHEBNBGN-CQSZACIVSA-N 1 0 316.832 4.368 20 30 DIEDRO C=C(C)CC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC001168316780 1047425285 /nfs/dbraw/zinc/42/52/85/1047425285.db2.gz GXCDZYQNWPYLAH-UHFFFAOYSA-N 1 0 300.265 4.441 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000749545587 1047426341 /nfs/dbraw/zinc/42/63/41/1047426341.db2.gz JQNUFGUONJIMTD-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCCSCC#N)cc1 ZINC000080629414 1047427326 /nfs/dbraw/zinc/42/73/26/1047427326.db2.gz OSPZTIULRDMNTI-ZWKOTPCHSA-N 1 0 302.487 4.210 20 30 DIEDRO N#CCSCCC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119034663 1047438461 /nfs/dbraw/zinc/43/84/61/1047438461.db2.gz QAXKZCWOESHIAQ-MSOLQXFVSA-N 1 0 302.487 4.024 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2ncc(C)s2)c(O)c1 ZINC000749929727 1047448376 /nfs/dbraw/zinc/44/83/76/1047448376.db2.gz DOAGVRUAGXGSTP-NCUBORBFSA-N 1 0 317.458 4.183 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2ncc(C)s2)c(O)c1 ZINC000749929725 1047448471 /nfs/dbraw/zinc/44/84/71/1047448471.db2.gz DOAGVRUAGXGSTP-FHXOWUIVSA-N 1 0 317.458 4.183 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1O ZINC000841761857 1047454736 /nfs/dbraw/zinc/45/47/36/1047454736.db2.gz LWCYZJDDTLPMNV-KZULUSFZSA-N 1 0 310.372 4.131 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1Cl ZINC000841761835 1047454811 /nfs/dbraw/zinc/45/48/11/1047454811.db2.gz LPDQKCXCIJPLLA-SJKOYZFVSA-N 1 0 311.816 4.335 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000841763403 1047455589 /nfs/dbraw/zinc/45/55/89/1047455589.db2.gz XDOLNWKIKUCPRC-IRXDYDNUSA-N 1 0 323.827 4.261 20 30 DIEDRO CCc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000841762439 1047455739 /nfs/dbraw/zinc/45/57/39/1047455739.db2.gz OLKUXZNDAVVTNB-KPZWWZAWSA-N 1 0 309.413 4.145 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c1 ZINC000537615725 1047455798 /nfs/dbraw/zinc/45/57/98/1047455798.db2.gz BZKSDZJAHAMYDD-SFHVURJKSA-N 1 0 323.436 4.250 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cnc1Cl ZINC000841893403 1047461634 /nfs/dbraw/zinc/46/16/34/1047461634.db2.gz DTEYNAXOCDGKTD-QGZVFWFLSA-N 1 0 311.816 4.082 20 30 DIEDRO COc1c(C)cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000841893783 1047461721 /nfs/dbraw/zinc/46/17/21/1047461721.db2.gz JEWYPJKOFZLHGM-HXUWFJFHSA-N 1 0 320.436 4.351 20 30 DIEDRO Cc1ccccc1C1([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000842732747 1047500924 /nfs/dbraw/zinc/50/09/24/1047500924.db2.gz QRTSWLXDOYARNH-UHFFFAOYSA-N 1 0 319.452 4.124 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CCC[C@H](c4ccccc4)C3)c[nH]c2c1 ZINC001142922508 1047514869 /nfs/dbraw/zinc/51/48/69/1047514869.db2.gz KNYFKASWCQFPTD-SFHVURJKSA-N 1 0 315.420 4.419 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1F ZINC001142922345 1047514999 /nfs/dbraw/zinc/51/49/99/1047514999.db2.gz DMRFKZVFZJCOIZ-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1cccc(OC)c1 ZINC001142922773 1047515164 /nfs/dbraw/zinc/51/51/64/1047515164.db2.gz UZZQRCLGBSNPCY-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cnc2ccc(Cl)nn12 ZINC001142991053 1047522959 /nfs/dbraw/zinc/52/29/59/1047522959.db2.gz DSSBMLBUDVXKOH-UHFFFAOYSA-N 1 0 308.857 4.175 20 30 DIEDRO C=CCN(Cc1cnc(C(C)C)s1)Cc1cccc(C#N)c1 ZINC000092504261 1047535552 /nfs/dbraw/zinc/53/55/52/1047535552.db2.gz DOSHJLJOLMJHFH-UHFFFAOYSA-N 1 0 311.454 4.326 20 30 DIEDRO COc1cc(C)cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001143157586 1047536521 /nfs/dbraw/zinc/53/65/21/1047536521.db2.gz NAPPLRFELFTSDJ-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO C[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000092586143 1047536727 /nfs/dbraw/zinc/53/67/27/1047536727.db2.gz HMNBGRGUNKDCKS-KRWDZBQOSA-N 1 0 322.456 4.086 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c1F ZINC001143173709 1047537799 /nfs/dbraw/zinc/53/77/99/1047537799.db2.gz DAKHQHBZYYKJKZ-OAHLLOKOSA-N 1 0 304.384 4.239 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000092758526 1047538363 /nfs/dbraw/zinc/53/83/63/1047538363.db2.gz NWTGFJZJQXZKHL-UHFFFAOYSA-N 1 0 315.457 4.175 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000092788462 1047539500 /nfs/dbraw/zinc/53/95/00/1047539500.db2.gz AKDYZMIPXAXMHT-MRXNPFEDSA-N 1 0 314.454 4.088 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCCc3ccccc32)cc1 ZINC000237491465 1047551900 /nfs/dbraw/zinc/55/19/00/1047551900.db2.gz ZQUYDBRHEXDRMB-QFBILLFUSA-N 1 0 320.436 4.187 20 30 DIEDRO CC[C@@H](C)C[N@H+](CC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093844887 1047552743 /nfs/dbraw/zinc/55/27/43/1047552743.db2.gz SOHFEUMQKXMRLH-QGZVFWFLSA-N 1 0 324.472 4.332 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000538115139 1047659600 /nfs/dbraw/zinc/65/96/00/1047659600.db2.gz ZFVCWFNBIDNGFC-INIZCTEOSA-N 1 0 313.363 4.339 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(NCC2(C#N)CCC2)nc1 ZINC001154997078 1047664250 /nfs/dbraw/zinc/66/42/50/1047664250.db2.gz YUCLRACWLZZMMC-KRWDZBQOSA-N 1 0 312.461 4.124 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000538322830 1047669251 /nfs/dbraw/zinc/66/92/51/1047669251.db2.gz AQKPMXUKBBPQQB-FQEVSTJZSA-N 1 0 324.399 4.255 20 30 DIEDRO C=CCCC1(C[NH2+]C2CC(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001206654621 1047673587 /nfs/dbraw/zinc/67/35/87/1047673587.db2.gz CEWUSMIYCLGSCY-UHFFFAOYSA-N 1 0 307.478 4.223 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000538409616 1047676115 /nfs/dbraw/zinc/67/61/15/1047676115.db2.gz RWKBUNTUVABPJC-TYILLQQXSA-N 1 0 312.388 4.124 20 30 DIEDRO Cc1cccc2c(CC[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)c[nH]c21 ZINC000538508150 1047684356 /nfs/dbraw/zinc/68/43/56/1047684356.db2.gz ZABSRBJZUQHBMF-AWEZNQCLSA-N 1 0 321.399 4.380 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000538508896 1047684548 /nfs/dbraw/zinc/68/45/48/1047684548.db2.gz KNNQGVNGAPZEEW-ZDUSSCGKSA-N 1 0 314.379 4.465 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000538725628 1047706615 /nfs/dbraw/zinc/70/66/15/1047706615.db2.gz MFIOXQMWQGDRCM-HXUWFJFHSA-N 1 0 308.425 4.292 20 30 DIEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000538752459 1047709113 /nfs/dbraw/zinc/70/91/13/1047709113.db2.gz MPNMFVYHRFEWEQ-CHWSQXEVSA-N 1 0 302.805 4.429 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000538823953 1047715344 /nfs/dbraw/zinc/71/53/44/1047715344.db2.gz UNMHYZHQNABALJ-FGZHOGPDSA-N 1 0 314.432 4.451 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000539051969 1047727114 /nfs/dbraw/zinc/72/71/14/1047727114.db2.gz RRJLPVCYQXUMOE-FUHWJXTLSA-N 1 0 321.436 4.043 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N[C@H]2CC[C@H](C#N)CC2)nc1 ZINC001157055364 1047734070 /nfs/dbraw/zinc/73/40/70/1047734070.db2.gz UPZCTKNBCWWRNJ-SZMVWBNQSA-N 1 0 312.461 4.123 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1F ZINC000539240957 1047744088 /nfs/dbraw/zinc/74/40/88/1047744088.db2.gz PGFCOJQEMXBRJA-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccccc1CC)c1ccccc1 ZINC000539357911 1047748186 /nfs/dbraw/zinc/74/81/86/1047748186.db2.gz QFYRXKUIXSGYNU-LJQANCHMSA-N 1 0 322.452 4.485 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000477926771 1047758435 /nfs/dbraw/zinc/75/84/35/1047758435.db2.gz LRWHGBDRMOIZRE-LXGCGDOSSA-N 1 0 324.399 4.126 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCS1 ZINC000927034833 1047763962 /nfs/dbraw/zinc/76/39/62/1047763962.db2.gz YNHQWKAKHMPOBV-WEOZKBJRSA-N 1 0 314.498 4.264 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCS1 ZINC000927034830 1047764383 /nfs/dbraw/zinc/76/43/83/1047764383.db2.gz YNHQWKAKHMPOBV-IZIZEDOESA-N 1 0 314.498 4.264 20 30 DIEDRO CC1(C)C[C@@H](Nc2cc(C#N)c3ccccc3n2)C[C@](C)(C[NH3+])C1 ZINC001158266058 1047772410 /nfs/dbraw/zinc/77/24/10/1047772410.db2.gz ROPMEZLEKALAQO-QRWLVFNGSA-N 1 0 322.456 4.062 20 30 DIEDRO CC(C)c1ccc(C#N)c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158265613 1047772739 /nfs/dbraw/zinc/77/27/39/1047772739.db2.gz IGOJGBJPZZNRGS-BEFAXECRSA-N 1 0 314.477 4.032 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC001158609764 1047791432 /nfs/dbraw/zinc/79/14/32/1047791432.db2.gz DJGNJELNMPPPBD-LJQANCHMSA-N 1 0 312.457 4.455 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc(C(C)C)ccc1C#N ZINC001158730895 1047796003 /nfs/dbraw/zinc/79/60/03/1047796003.db2.gz VCECCPYVUPTTCW-QGZVFWFLSA-N 1 0 320.440 4.317 20 30 DIEDRO Cc1c[nH+]c(N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)cc1N ZINC001158796871 1047799416 /nfs/dbraw/zinc/79/94/16/1047799416.db2.gz IOQPMPFNKOQKCD-OAHLLOKOSA-N 1 0 321.424 4.177 20 30 DIEDRO CC(C)([NH3+])c1ccc(Nc2sc3c(c2C#N)CCCC3)cc1 ZINC001159113374 1047813448 /nfs/dbraw/zinc/81/34/48/1047813448.db2.gz OVEOMQBJWBDWAL-UHFFFAOYSA-N 1 0 311.454 4.436 20 30 DIEDRO N#Cc1cc(Nc2cc(C3CCCCC3)no2)cc(C2C[NH2+]C2)c1 ZINC001159131299 1047815510 /nfs/dbraw/zinc/81/55/10/1047815510.db2.gz JWGSJZSYWQVKLF-UHFFFAOYSA-N 1 0 322.412 4.024 20 30 DIEDRO Cc1cc(Nc2sc3c(c2C#N)CC[NH2+]C3)c(F)cc1Cl ZINC001159159665 1047817082 /nfs/dbraw/zinc/81/70/82/1047817082.db2.gz NCJHVJLXAKYWHG-UHFFFAOYSA-N 1 0 321.808 4.110 20 30 DIEDRO Cc1c(Nc2sc3c(c2C#N)CC[NH2+]C3)cccc1C1CC1 ZINC001159157225 1047817399 /nfs/dbraw/zinc/81/73/99/1047817399.db2.gz DJNBJJIHTJDWPT-UHFFFAOYSA-N 1 0 309.438 4.195 20 30 DIEDRO N#Cc1cc(-c2ccccc2)oc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159220872 1047821698 /nfs/dbraw/zinc/82/16/98/1047821698.db2.gz XOYYBUKOGHNRMB-UHFFFAOYSA-N 1 0 315.376 4.208 20 30 DIEDRO N#Cc1oc2ccccc2c1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159234328 1047822658 /nfs/dbraw/zinc/82/26/58/1047822658.db2.gz LCVCJVZIGMDZOB-MRXNPFEDSA-N 1 0 303.365 4.473 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2ccc(C#N)c(F)c2)C1 ZINC001159390521 1047838646 /nfs/dbraw/zinc/83/86/46/1047838646.db2.gz NHNINAVEKQZLLI-NWANDNLSSA-N 1 0 324.403 4.067 20 30 DIEDRO C#Cc1cccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)c1 ZINC001159387911 1047838745 /nfs/dbraw/zinc/83/87/45/1047838745.db2.gz FQCKNFVKZCHWJN-DJIMGWMZSA-N 1 0 305.425 4.037 20 30 DIEDRO C[C@H]1C[C@@H](c2ccncc2Nc2cc(C#N)ccc2F)C[C@@H]([NH3+])C1 ZINC001159387694 1047838995 /nfs/dbraw/zinc/83/89/95/1047838995.db2.gz UBWOGQBUHLCUMR-CFVMTHIKSA-N 1 0 324.403 4.067 20 30 DIEDRO C[C@H]1C[C@@H](c2ccncc2Nc2ccc(F)c(C#N)c2)C[C@@H]([NH3+])C1 ZINC001159391677 1047839512 /nfs/dbraw/zinc/83/95/12/1047839512.db2.gz SRDJMXNPMFJMAO-GUTXKFCHSA-N 1 0 324.403 4.067 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001182784024 1047845414 /nfs/dbraw/zinc/84/54/14/1047845414.db2.gz YVLIILDPJDBSFN-GFCCVEGCSA-N 1 0 301.858 4.309 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2nc1OC ZINC001182845045 1047846902 /nfs/dbraw/zinc/84/69/02/1047846902.db2.gz REZGJRZOYDSEOJ-MAUKXSAKSA-N 1 0 310.441 4.468 20 30 DIEDRO CCCCCCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001197622480 1047850184 /nfs/dbraw/zinc/85/01/84/1047850184.db2.gz WSEDKYXJMMBRDR-DLBZAZTESA-N 1 0 309.494 4.257 20 30 DIEDRO N#Cc1cc(Cl)c(Nc2ccc3c(c2)C[NH2+]C3)c(Cl)c1 ZINC001159469711 1047850789 /nfs/dbraw/zinc/85/07/89/1047850789.db2.gz MFQVEMASHARCFQ-UHFFFAOYSA-N 1 0 304.180 4.212 20 30 DIEDRO N#Cc1ccc(NCc2ccccc2C[NH+]2CCCCC2)c(F)c1 ZINC000063508252 1047850980 /nfs/dbraw/zinc/85/09/80/1047850980.db2.gz RLWMRQIWSFNKTB-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO C=CCCC1(C[NH2+][C@H](C)CC(C)(C)CC(=O)OC)CCCC1 ZINC001182864149 1047853040 /nfs/dbraw/zinc/85/30/40/1047853040.db2.gz AJOZGFOXIQDRGL-MRXNPFEDSA-N 1 0 309.494 4.471 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)s1 ZINC000553457677 1047855373 /nfs/dbraw/zinc/85/53/73/1047855373.db2.gz RPERMCJJOLQPMP-DLBZAZTESA-N 1 0 300.402 4.185 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001182890618 1047857061 /nfs/dbraw/zinc/85/70/61/1047857061.db2.gz FVFVEOHWDNKYGY-JKSUJKDBSA-N 1 0 322.493 4.253 20 30 DIEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC001182917712 1047861653 /nfs/dbraw/zinc/86/16/53/1047861653.db2.gz ABELHXJLFHZFNZ-AEFFLSMTSA-N 1 0 307.865 4.234 20 30 DIEDRO CC(C)C[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC001182990397 1047873632 /nfs/dbraw/zinc/87/36/32/1047873632.db2.gz PUSHNLFVHZIAPN-CVEARBPZSA-N 1 0 324.509 4.298 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC001182977228 1047877000 /nfs/dbraw/zinc/87/70/00/1047877000.db2.gz CFDQCVKYADACTG-SFHVURJKSA-N 1 0 307.441 4.033 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1CCO[C@H](CC)C1)c1ccc(F)c(F)c1 ZINC000479404801 1047878032 /nfs/dbraw/zinc/87/80/32/1047878032.db2.gz BCFOZOKSVUUXLS-SIIHOXLZSA-N 1 0 309.400 4.377 20 30 DIEDRO N#Cc1c(Cl)cccc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159598483 1047878154 /nfs/dbraw/zinc/87/81/54/1047878154.db2.gz OUOMEUWDNRCIQH-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)Cc1ccc(-c2ccccc2)cc1 ZINC001183155931 1047903109 /nfs/dbraw/zinc/90/31/09/1047903109.db2.gz JMSTXRHAZNFWAJ-GCJKJVERSA-N 1 0 321.464 4.303 20 30 DIEDRO C=CCC1(O)CC[NH+](Cc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC001197930680 1047903622 /nfs/dbraw/zinc/90/36/22/1047903622.db2.gz RXZFSQYKXGNJHP-UHFFFAOYSA-N 1 0 323.864 4.030 20 30 DIEDRO CCCCc1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001159706876 1047906817 /nfs/dbraw/zinc/90/68/17/1047906817.db2.gz NEWZITRWJBJINB-UHFFFAOYSA-N 1 0 305.425 4.331 20 30 DIEDRO CCCCc1ccccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159721213 1047908012 /nfs/dbraw/zinc/90/80/12/1047908012.db2.gz FPBBYJJFTMJQGL-UHFFFAOYSA-N 1 0 305.425 4.331 20 30 DIEDRO Cc1ccc(C(C)C)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159721781 1047908247 /nfs/dbraw/zinc/90/82/47/1047908247.db2.gz JKBKWAJOPUTGGR-UHFFFAOYSA-N 1 0 305.425 4.421 20 30 DIEDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000479496491 1047910702 /nfs/dbraw/zinc/91/07/02/1047910702.db2.gz JEVYOVPFZUPHMZ-DYESRHJHSA-N 1 0 322.452 4.247 20 30 DIEDRO N#Cc1cc(Nc2ccc3cc(F)ccc3c2)cc(C2C[NH2+]C2)c1 ZINC001159741265 1047913477 /nfs/dbraw/zinc/91/34/77/1047913477.db2.gz IMQYZTZGXFJUIY-UHFFFAOYSA-N 1 0 317.367 4.281 20 30 DIEDRO N#Cc1cc(Nc2cccc(C3CC[NH2+]CC3)c2)ccc1Cl ZINC001159756881 1047916021 /nfs/dbraw/zinc/91/60/21/1047916021.db2.gz GGLSTLUAKISIMG-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1cccc(C2CC[NH2+]CC2)c1 ZINC001159763238 1047917913 /nfs/dbraw/zinc/91/79/13/1047917913.db2.gz DKAIQPDQXYZNEE-UHFFFAOYSA-N 1 0 305.425 4.386 20 30 DIEDRO C=CC[N@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC001174641532 1047919316 /nfs/dbraw/zinc/91/93/16/1047919316.db2.gz KSEMIQDSMHPLAQ-AWEZNQCLSA-N 1 0 301.352 4.025 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001183336639 1047922962 /nfs/dbraw/zinc/92/29/62/1047922962.db2.gz SBRIDKFYTMYEPB-QMCVQRASSA-N 1 0 320.274 4.422 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001183379685 1047925699 /nfs/dbraw/zinc/92/56/99/1047925699.db2.gz RJXAIUBWXXCUPL-WBVHZDCISA-N 1 0 324.509 4.356 20 30 DIEDRO Fc1ccc(C#Cc2ccccc2NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001159813396 1047927790 /nfs/dbraw/zinc/92/77/90/1047927790.db2.gz HRMJUPKOSDPECK-MOPGFXCFSA-N 1 0 318.395 4.046 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001183510024 1047940188 /nfs/dbraw/zinc/94/01/88/1047940188.db2.gz BTVBHDJQCHRPIQ-FUHIMQAGSA-N 1 0 303.490 4.294 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(CC)(NC(=O)OC(C)(C)C)CC1 ZINC001183572121 1047945953 /nfs/dbraw/zinc/94/59/53/1047945953.db2.gz JTJOOJVALOPBOW-OAHLLOKOSA-N 1 0 310.482 4.110 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC001183652261 1047950685 /nfs/dbraw/zinc/95/06/85/1047950685.db2.gz PNTMSHFCIAGVOF-UTYWTXRGSA-N 1 0 322.496 4.136 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@H+](CCC)CC(C)C ZINC000553832855 1047952397 /nfs/dbraw/zinc/95/23/97/1047952397.db2.gz UEIIMNOECYZFDA-UHFFFAOYSA-N 1 0 320.502 4.271 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC001183778717 1047963793 /nfs/dbraw/zinc/96/37/93/1047963793.db2.gz AXIDKIBFJYZDNB-MOPGFXCFSA-N 1 0 323.521 4.467 20 30 DIEDRO CSc1ccc(C[NH2+]C[C@@H](C)c2ccc(C)cc2)cc1C#N ZINC001183798592 1047967053 /nfs/dbraw/zinc/96/70/53/1047967053.db2.gz GGSALLUIQWQTDQ-OAHLLOKOSA-N 1 0 310.466 4.482 20 30 DIEDRO C#C[C@H]1CCCC[N@H+]1CC/C=C/c1ccc(Br)cc1 ZINC001198525484 1047968743 /nfs/dbraw/zinc/96/87/43/1047968743.db2.gz MQEGKAVXARDOHP-GALSZHCDSA-N 1 0 318.258 4.340 20 30 DIEDRO Cc1ccc(Nc2ccc(CC3CC[NH2+]CC3)cc2)c(C#N)c1 ZINC001160014750 1047969852 /nfs/dbraw/zinc/96/98/52/1047969852.db2.gz KOWOLEMVEAOWDS-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000774687357 1047969986 /nfs/dbraw/zinc/96/99/86/1047969986.db2.gz NQHUXIXBIBUSJA-ULQDDVLXSA-N 1 0 324.509 4.356 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)N1CCCn2c(cc3ccccc32)C1 ZINC000553980913 1047976324 /nfs/dbraw/zinc/97/63/24/1047976324.db2.gz PVXIGTROHBVVBA-MRXNPFEDSA-N 1 0 315.420 4.480 20 30 DIEDRO C#CCCC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000775870718 1047976650 /nfs/dbraw/zinc/97/66/50/1047976650.db2.gz BCLYVDNSEYVLET-OAHLLOKOSA-N 1 0 310.210 4.042 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC001183959291 1047986592 /nfs/dbraw/zinc/98/65/92/1047986592.db2.gz QBCHATOADQWONY-CZUORRHYSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001160183191 1047992024 /nfs/dbraw/zinc/99/20/24/1047992024.db2.gz XPDNXLZTHCXUPQ-HNNXBMFYSA-N 1 0 320.396 4.005 20 30 DIEDRO C=CC[C@H](C)[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001174844573 1047996337 /nfs/dbraw/zinc/99/63/37/1047996337.db2.gz DRGOEOUJCIREPW-HNNXBMFYSA-N 1 0 317.477 4.336 20 30 DIEDRO N#Cc1cc(Nc2ccccc2-c2ccco2)cc(C2C[NH2+]C2)c1 ZINC001160222724 1048002442 /nfs/dbraw/zinc/00/24/42/1048002442.db2.gz LVDPGEPQIQHNDE-UHFFFAOYSA-N 1 0 315.376 4.249 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001184188110 1048005234 /nfs/dbraw/zinc/00/52/34/1048005234.db2.gz KAIFFGYKSKAYTA-LJQANCHMSA-N 1 0 324.509 4.312 20 30 DIEDRO N#Cc1ccc(C=CNc2ccc(C[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001160265040 1048016297 /nfs/dbraw/zinc/01/62/97/1048016297.db2.gz HTWBCVCYRJWZRY-VSFZPWCASA-N 1 0 317.436 4.183 20 30 DIEDRO Cc1ccc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)c(C#N)c1 ZINC001160264925 1048016444 /nfs/dbraw/zinc/01/64/44/1048016444.db2.gz DYZMODLMGLUCII-KRWDZBQOSA-N 1 0 305.425 4.152 20 30 DIEDRO CC(C)(C)c1ccc(OCC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC001199001427 1048026273 /nfs/dbraw/zinc/02/62/73/1048026273.db2.gz NQCSOYCTZPSXEU-UHFFFAOYSA-N 1 0 314.473 4.425 20 30 DIEDRO C=C(CC)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000773427232 1048030081 /nfs/dbraw/zinc/03/00/81/1048030081.db2.gz GGHVFKRNXUMJIP-SFHVURJKSA-N 1 0 301.455 4.250 20 30 DIEDRO C=CC[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC001199060735 1048031738 /nfs/dbraw/zinc/03/17/38/1048031738.db2.gz ZMATXQQRODRMBJ-UHFFFAOYSA-N 1 0 303.837 4.099 20 30 DIEDRO CC(C)([NH3+])c1ccc(Nc2ccc(C#N)c3ncccc23)cc1 ZINC001160347312 1048037810 /nfs/dbraw/zinc/03/78/10/1048037810.db2.gz BTUZKVLSYTWWCM-UHFFFAOYSA-N 1 0 302.381 4.044 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC(C)(C)C)cc1OC ZINC001199208330 1048042666 /nfs/dbraw/zinc/04/26/66/1048042666.db2.gz PGZSUQVDPWJIAQ-UHFFFAOYSA-N 1 0 311.853 4.439 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccc(C)cc1C)C(C)C ZINC001199199184 1048042830 /nfs/dbraw/zinc/04/28/30/1048042830.db2.gz XXXQDEZHSWULGB-FQEVSTJZSA-N 1 0 300.490 4.092 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccc(C)cc1C)C(C)C ZINC001199199190 1048043924 /nfs/dbraw/zinc/04/39/24/1048043924.db2.gz XXXQDEZHSWULGB-HXUWFJFHSA-N 1 0 300.490 4.092 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](CCN1CCCCCC1)C1CCC1 ZINC000554288230 1048056459 /nfs/dbraw/zinc/05/64/59/1048056459.db2.gz XRZFWBOFEYUDAV-UHFFFAOYSA-N 1 0 319.537 4.437 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000161067420 1048062650 /nfs/dbraw/zinc/06/26/50/1048062650.db2.gz LYNHMKMZHGKNNB-UHFFFAOYSA-N 1 0 323.421 4.141 20 30 DIEDRO C=CCOc1cccc(CNc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001199464444 1048067306 /nfs/dbraw/zinc/06/73/06/1048067306.db2.gz FVERTXCPFIFHFD-UHFFFAOYSA-N 1 0 322.452 4.459 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000554366382 1048081100 /nfs/dbraw/zinc/08/11/00/1048081100.db2.gz MNACNYIHIRGQBI-BMGDILEWSA-N 1 0 300.446 4.107 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C1CCCCC1 ZINC001160826789 1048089382 /nfs/dbraw/zinc/08/93/82/1048089382.db2.gz GELMUWORJMCOKH-ROUUACIJSA-N 1 0 306.494 4.022 20 30 DIEDRO Cc1cc(F)c(C#N)c(NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001184811363 1048096589 /nfs/dbraw/zinc/09/65/89/1048096589.db2.gz JQMATELPPZMFKW-UHFFFAOYSA-N 1 0 323.415 4.214 20 30 DIEDRO CCC(CC)[NH+]1CCC(Nc2nccc3ccc(C#N)cc32)CC1 ZINC001161099101 1048109048 /nfs/dbraw/zinc/10/90/48/1048109048.db2.gz UJLANKKLBGWCRF-UHFFFAOYSA-N 1 0 322.456 4.171 20 30 DIEDRO Cc1cc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)ccc1C#N ZINC001199895227 1048110824 /nfs/dbraw/zinc/11/08/24/1048110824.db2.gz ALXNWHIVPGUNDZ-UHFFFAOYSA-N 1 0 323.827 4.334 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](OC)C2)cc1 ZINC000248951212 1048113001 /nfs/dbraw/zinc/11/30/01/1048113001.db2.gz DBILFTSWVGDGOX-YSVLISHTSA-N 1 0 309.837 4.036 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)C1(C)CCC([NH3+])CC1 ZINC001161221200 1048115198 /nfs/dbraw/zinc/11/51/98/1048115198.db2.gz KNAILODEDRJMSY-UHFFFAOYSA-N 1 0 310.526 4.493 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC001185037976 1048122612 /nfs/dbraw/zinc/12/26/12/1048122612.db2.gz YTQPKZKMPZJWSA-WBVHZDCISA-N 1 0 323.415 4.253 20 30 DIEDRO CC(C)Cc1ccc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000480370618 1048134405 /nfs/dbraw/zinc/13/44/05/1048134405.db2.gz GXZHHAWQCBCTEK-OAQYLSRUSA-N 1 0 321.468 4.336 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@@H+](C2CC2)C[C@H]1C ZINC001161493756 1048134966 /nfs/dbraw/zinc/13/49/66/1048134966.db2.gz HKVHWLJCMDNIHX-QZTJIDSGSA-N 1 0 322.537 4.458 20 30 DIEDRO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000105497219 1048139262 /nfs/dbraw/zinc/13/92/62/1048139262.db2.gz UORZQRACVGZMFQ-OAQYLSRUSA-N 1 0 319.452 4.122 20 30 DIEDRO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000105496488 1048139910 /nfs/dbraw/zinc/13/99/10/1048139910.db2.gz IUJWPDFQTNLPSF-QRWLVFNGSA-N 1 0 306.409 4.063 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ncccc2C)cc1 ZINC001161888731 1048188813 /nfs/dbraw/zinc/18/88/13/1048188813.db2.gz XRHIYVQKQNNONX-FQEVSTJZSA-N 1 0 307.441 4.325 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ncccc2C)cc1 ZINC001161888732 1048189508 /nfs/dbraw/zinc/18/95/08/1048189508.db2.gz XRHIYVQKQNNONX-HXUWFJFHSA-N 1 0 307.441 4.325 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1cc(F)ccc1C#N)c1ccsc1 ZINC001162132502 1048228397 /nfs/dbraw/zinc/22/83/97/1048228397.db2.gz TZLZIEZKRFWFCP-KRWDZBQOSA-N 1 0 317.433 4.254 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1sc(C)nc1C)C(C)C ZINC000480755003 1048234359 /nfs/dbraw/zinc/23/43/59/1048234359.db2.gz LTZGXKSYVFSZJO-PBHICJAKSA-N 1 0 321.534 4.109 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2cnc(C)s2)cc1 ZINC001162163379 1048234535 /nfs/dbraw/zinc/23/45/35/1048234535.db2.gz SPNOJQTZDZAPOM-GOSISDBHSA-N 1 0 313.470 4.387 20 30 DIEDRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000776155631 1048237505 /nfs/dbraw/zinc/23/75/05/1048237505.db2.gz GCAMYCACMDLCLV-SZMVWBNQSA-N 1 0 300.446 4.454 20 30 DIEDRO Cc1cc(C)c(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000776155060 1048240512 /nfs/dbraw/zinc/24/05/12/1048240512.db2.gz YPHBMFQPNUPUDS-GOSISDBHSA-N 1 0 322.452 4.408 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@H](OCCCC)C1(C)C)c1ccncc1 ZINC000776157147 1048242696 /nfs/dbraw/zinc/24/26/96/1048242696.db2.gz OJFNJXFUQPEWOA-KSZLIROESA-N 1 0 302.462 4.272 20 30 DIEDRO Cc1ccccc1C1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000554988349 1048243334 /nfs/dbraw/zinc/24/33/34/1048243334.db2.gz RBEVKRRFGOBGBK-HXUWFJFHSA-N 1 0 302.421 4.175 20 30 DIEDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccn1 ZINC000776158286 1048245332 /nfs/dbraw/zinc/24/53/32/1048245332.db2.gz VWPASGOGYZTGEQ-HNAYVOBHSA-N 1 0 309.413 4.176 20 30 DIEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccn1 ZINC000776158251 1048245354 /nfs/dbraw/zinc/24/53/54/1048245354.db2.gz VWPASGOGYZTGEQ-BEFAXECRSA-N 1 0 309.413 4.176 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(C#N)c(Cl)c2F)c1 ZINC001201402568 1048251699 /nfs/dbraw/zinc/25/16/99/1048251699.db2.gz LCXUELONXJPUBC-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000776162971 1048252071 /nfs/dbraw/zinc/25/20/71/1048252071.db2.gz LCDPPCGKGRKRJC-FOIQADDNSA-N 1 0 322.452 4.240 20 30 DIEDRO CC(C)[Si](C#C[NH2+]C[C@H](O)c1ccco1)(C(C)C)C(C)C ZINC001162258293 1048252328 /nfs/dbraw/zinc/25/23/28/1048252328.db2.gz OADRBXXYRMWHNF-INIZCTEOSA-N 1 0 307.510 4.082 20 30 DIEDRO CCCCCCC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC001175332035 1048267882 /nfs/dbraw/zinc/26/78/82/1048267882.db2.gz AKZVMXFDBUOCGJ-INIZCTEOSA-N 1 0 301.833 4.463 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)C1CCCC1)c1ccc(OCC#N)cc1 ZINC000776172097 1048267983 /nfs/dbraw/zinc/26/79/83/1048267983.db2.gz SGHOXBZUXNFMEE-OAHLLOKOSA-N 1 0 300.446 4.456 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CC[C@](C)(O)CC2)cc1 ZINC001162360364 1048268017 /nfs/dbraw/zinc/26/80/17/1048268017.db2.gz JWVBONDDELQYKK-VAMGGRTRSA-N 1 0 314.473 4.115 20 30 DIEDRO Cc1nsc(Nc2ccc(C[NH+]3CCCCC3)cc2)c1C#N ZINC001175361447 1048276882 /nfs/dbraw/zinc/27/68/82/1048276882.db2.gz MPAUTQJISMSLLA-UHFFFAOYSA-N 1 0 312.442 4.053 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001175361790 1048277530 /nfs/dbraw/zinc/27/75/30/1048277530.db2.gz KGUTVCPPSCABSL-OALUTQOASA-N 1 0 305.437 4.364 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+](C[C@@H](C)CCC=C(C)C)CC2 ZINC001201486848 1048278848 /nfs/dbraw/zinc/27/88/48/1048278848.db2.gz NBTPYCPIKLWPME-SFHVURJKSA-N 1 0 318.505 4.012 20 30 DIEDRO COc1cc(C#N)ccc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175367123 1048279855 /nfs/dbraw/zinc/27/98/55/1048279855.db2.gz NHOJBHFCPCKZTG-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@@H](C)CCC=C(C)C)C2 ZINC001201489158 1048280928 /nfs/dbraw/zinc/28/09/28/1048280928.db2.gz AIPJIGQGRHDXOM-SLFFLAALSA-N 1 0 321.505 4.195 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2nc3c(cccc3C)s2)CC1 ZINC001162437026 1048281686 /nfs/dbraw/zinc/28/16/86/1048281686.db2.gz FYQOYWUIQAHVDN-UHFFFAOYSA-N 1 0 301.459 4.057 20 30 DIEDRO C#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001201477638 1048297633 /nfs/dbraw/zinc/29/76/33/1048297633.db2.gz JWAGCWBNYCCCJI-YADHBBJMSA-N 1 0 314.432 4.401 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccccc1 ZINC001201556857 1048309103 /nfs/dbraw/zinc/30/91/03/1048309103.db2.gz BJULMKNCSVZXRN-INIZCTEOSA-N 1 0 308.381 4.331 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000775027406 1048314216 /nfs/dbraw/zinc/31/42/16/1048314216.db2.gz DPXYOVPRBZTFME-VQIMIIECSA-N 1 0 308.425 4.261 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@@H](CC)CCCC)CC2 ZINC001201564543 1048320074 /nfs/dbraw/zinc/32/00/74/1048320074.db2.gz BSOUXBBGMRFVCF-AZUAARDMSA-N 1 0 320.521 4.236 20 30 DIEDRO C#CCC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001175484442 1048323282 /nfs/dbraw/zinc/32/32/82/1048323282.db2.gz ITTVCRGATSHIBQ-INIZCTEOSA-N 1 0 313.338 4.265 20 30 DIEDRO CCCCCCCCCCCCN1CCn2c(C)nnc2C1 ZINC001201630881 1048328302 /nfs/dbraw/zinc/32/83/02/1048328302.db2.gz GIGYVDTXPQNFOQ-UHFFFAOYSA-N 1 0 306.498 4.323 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001201631033 1048328720 /nfs/dbraw/zinc/32/87/20/1048328720.db2.gz LICVGDAEGZJWMC-UHFFFAOYSA-N 1 0 308.510 4.119 20 30 DIEDRO CCCCCCCCCCC[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001201631289 1048328735 /nfs/dbraw/zinc/32/87/35/1048328735.db2.gz OLKBLMNINFSWOT-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO Cc1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)c(C#N)c1 ZINC001175506274 1048339164 /nfs/dbraw/zinc/33/91/64/1048339164.db2.gz RQGRIGLIYQOLCS-UHFFFAOYSA-N 1 0 303.409 4.068 20 30 DIEDRO N#Cc1ccc(O[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC001201671738 1048339579 /nfs/dbraw/zinc/33/95/79/1048339579.db2.gz MONVXSRNCKXJSN-NRFANRHFSA-N 1 0 320.436 4.034 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(C4CC4)cc3)sc2C1 ZINC001201675261 1048341537 /nfs/dbraw/zinc/34/15/37/1048341537.db2.gz IVUFDENVMHLKEJ-UHFFFAOYSA-N 1 0 309.438 4.229 20 30 DIEDRO Cc1nc(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC001186756578 1048341736 /nfs/dbraw/zinc/34/17/36/1048341736.db2.gz CQYHPVHXHHGDGI-SFHVURJKSA-N 1 0 323.465 4.018 20 30 DIEDRO C#Cc1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)ccc1F ZINC001175506296 1048343608 /nfs/dbraw/zinc/34/36/08/1048343608.db2.gz TUPWETYLIWRUJY-UHFFFAOYSA-N 1 0 306.384 4.009 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000481287603 1048353334 /nfs/dbraw/zinc/35/33/34/1048353334.db2.gz QPJRHONAMJFNNK-UHFFFAOYSA-N 1 0 320.177 4.058 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCC(C)(C)C#N ZINC000481341014 1048375402 /nfs/dbraw/zinc/37/54/02/1048375402.db2.gz GHUXKEXIMDDLJX-CZUORRHYSA-N 1 0 308.853 4.336 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC001204157880 1048375547 /nfs/dbraw/zinc/37/55/47/1048375547.db2.gz GOYQTGCDIAIYEF-UHFFFAOYSA-N 1 0 316.326 4.135 20 30 DIEDRO CCCCCCCC[N@H+]1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001201814586 1048375958 /nfs/dbraw/zinc/37/59/58/1048375958.db2.gz QDTMZOUSROEMPV-GOSISDBHSA-N 1 0 321.509 4.199 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CCCCCCCC)CC2 ZINC001201813185 1048376005 /nfs/dbraw/zinc/37/60/05/1048376005.db2.gz BWZSRVYXKADGNB-HXUWFJFHSA-N 1 0 320.521 4.380 20 30 DIEDRO CCCCCCCC[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001201815197 1048376134 /nfs/dbraw/zinc/37/61/34/1048376134.db2.gz YXQXEPJYQNIOQT-UHFFFAOYSA-N 1 0 301.478 4.115 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001201814674 1048376507 /nfs/dbraw/zinc/37/65/07/1048376507.db2.gz RNQNYUXBAGYUGL-LJQANCHMSA-N 1 0 323.521 4.397 20 30 DIEDRO Cc1nn(C)c(C)c1C[NH2+]C#C[Si](C(C)C)(C(C)C)C(C)C ZINC001162883674 1048376917 /nfs/dbraw/zinc/37/69/17/1048376917.db2.gz NOINHOCHSHZCIT-UHFFFAOYSA-N 1 0 319.569 4.305 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000481345067 1048376754 /nfs/dbraw/zinc/37/67/54/1048376754.db2.gz MIDCUNCIAPEVMB-FQEVSTJZSA-N 1 0 319.452 4.489 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001201787891 1048379959 /nfs/dbraw/zinc/37/99/59/1048379959.db2.gz PHAHTJWNILBCMT-MRXNPFEDSA-N 1 0 312.498 4.194 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ncc(C#N)c3ccccc32)c1 ZINC001162900559 1048380516 /nfs/dbraw/zinc/38/05/16/1048380516.db2.gz YNOMUORSXDMYRK-ZDUSSCGKSA-N 1 0 312.376 4.070 20 30 DIEDRO CCCCCCC[NH+]1CCC(n2c3ccccc3oc2=O)CC1 ZINC001201788183 1048381746 /nfs/dbraw/zinc/38/17/46/1048381746.db2.gz ZSCPVZRQEAILSM-UHFFFAOYSA-N 1 0 316.445 4.202 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001201852770 1048382314 /nfs/dbraw/zinc/38/23/14/1048382314.db2.gz KUBWWBBUTIEPMX-OAHLLOKOSA-N 1 0 309.416 4.374 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CCOC[C@@H]2COC)CC1 ZINC001201825997 1048382976 /nfs/dbraw/zinc/38/29/76/1048382976.db2.gz KPSYRCUNUGLOJG-SFHVURJKSA-N 1 0 311.510 4.112 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001201826344 1048383585 /nfs/dbraw/zinc/38/35/85/1048383585.db2.gz SMMDGZQPXRAMGW-RTBURBONSA-N 1 0 309.494 4.007 20 30 DIEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCCCCCCC)C2 ZINC001201826368 1048384046 /nfs/dbraw/zinc/38/40/46/1048384046.db2.gz TZMPVQCXORTJRZ-MOPGFXCFSA-N 1 0 309.494 4.173 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccc3[nH]c(C#N)cc32)c1 ZINC001162907924 1048385351 /nfs/dbraw/zinc/38/53/51/1048385351.db2.gz HZLXTVFRFSULSL-GFCCVEGCSA-N 1 0 300.365 4.003 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001201846327 1048386778 /nfs/dbraw/zinc/38/67/78/1048386778.db2.gz IPJZYWWNZAAKIG-UHFFFAOYSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCCn2cnc(COCC)c2C1 ZINC001201840183 1048387524 /nfs/dbraw/zinc/38/75/24/1048387524.db2.gz WMKXMUZXVADSDE-UHFFFAOYSA-N 1 0 321.509 4.376 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCc2onc(COCC)c2C1 ZINC001201845949 1048387669 /nfs/dbraw/zinc/38/76/69/1048387669.db2.gz ASHHIFWGAQNXDV-UHFFFAOYSA-N 1 0 308.466 4.320 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1CCC1 ZINC001201880505 1048393571 /nfs/dbraw/zinc/39/35/71/1048393571.db2.gz DPWFJFQKDQWGCW-MRXNPFEDSA-N 1 0 320.436 4.415 20 30 DIEDRO CCCCCCCCCC[NH+]1CCN(CCCCOC)CC1 ZINC001201874605 1048393711 /nfs/dbraw/zinc/39/37/11/1048393711.db2.gz AGQGADSJQWEOIY-UHFFFAOYSA-N 1 0 312.542 4.171 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(N(CC)C(C)=O)CC1 ZINC001201875121 1048394561 /nfs/dbraw/zinc/39/45/61/1048394561.db2.gz QCDUBKWCQGUOQR-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000555591868 1048397689 /nfs/dbraw/zinc/39/76/89/1048397689.db2.gz DOISWRPIUUTXQR-UHFFFAOYSA-N 1 0 305.372 4.047 20 30 DIEDRO N#CC1(c2ccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)cc2)CCCCC1 ZINC001162983160 1048399288 /nfs/dbraw/zinc/39/92/88/1048399288.db2.gz POUGXMGJIWDIMG-AZUAARDMSA-N 1 0 309.457 4.109 20 30 DIEDRO N#Cc1cc(F)cc(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001175685604 1048417642 /nfs/dbraw/zinc/41/76/42/1048417642.db2.gz XHAFVYADOXKQDG-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@H]2CC(C)(C)CO2)cc1Cl ZINC001203666119 1048426047 /nfs/dbraw/zinc/42/60/47/1048426047.db2.gz YZSSSBZLDSXCPB-HNNXBMFYSA-N 1 0 323.864 4.200 20 30 DIEDRO C=C(C)[C@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000481573919 1048433062 /nfs/dbraw/zinc/43/30/62/1048433062.db2.gz UUILOSFRWBWAMB-QAPCUYQASA-N 1 0 308.416 4.046 20 30 DIEDRO C=C(C)[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000481573918 1048433084 /nfs/dbraw/zinc/43/30/84/1048433084.db2.gz UUILOSFRWBWAMB-MAUKXSAKSA-N 1 0 308.416 4.046 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(N[C@H]2C[NH2+]Cc3ccsc32)cc1 ZINC001163228607 1048440634 /nfs/dbraw/zinc/44/06/34/1048440634.db2.gz LPCBJAWILJIVPH-IRXDYDNUSA-N 1 0 311.454 4.268 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000775145243 1048442080 /nfs/dbraw/zinc/44/20/80/1048442080.db2.gz YAGQMZQXPHYZCS-QGZVFWFLSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC001175766776 1048445811 /nfs/dbraw/zinc/44/58/11/1048445811.db2.gz FAEMZUHVQIGKJG-NHCUHLMSSA-N 1 0 320.436 4.279 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1)[C@@H]1CCCO1 ZINC001202074247 1048454479 /nfs/dbraw/zinc/45/44/79/1048454479.db2.gz KJKWURQKQTWTID-YADHBBJMSA-N 1 0 319.448 4.241 20 30 DIEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001175871004 1048487195 /nfs/dbraw/zinc/48/71/95/1048487195.db2.gz HOMCWXUNRISANV-IRXDYDNUSA-N 1 0 307.865 4.235 20 30 DIEDRO [NH2+]=C(Nc1ccccc1CS)c1ccc(C(F)(F)F)cc1 ZINC001163684291 1048503939 /nfs/dbraw/zinc/50/39/39/1048503939.db2.gz UXMAPAOUNKGUAC-UHFFFAOYSA-N 1 0 310.344 4.172 20 30 DIEDRO N#Cc1cc(Cc2ccccc2)sc1Nc1ccc(C[NH3+])cc1 ZINC001175964035 1048507610 /nfs/dbraw/zinc/50/76/10/1048507610.db2.gz ARVLRCJOXIUZLB-UHFFFAOYSA-N 1 0 319.433 4.413 20 30 DIEDRO COc1cc(C[NH2+]C/C=C/c2cc(C)c(C)cc2C)ccc1C#N ZINC001202300174 1048515607 /nfs/dbraw/zinc/51/56/07/1048515607.db2.gz VEWGPVHSXYBZQX-AATRIKPKSA-N 1 0 320.436 4.295 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(CC(C)C)nc2)cc1 ZINC001202367160 1048534197 /nfs/dbraw/zinc/53/41/97/1048534197.db2.gz XDQNVGLJXVNWQT-UHFFFAOYSA-N 1 0 310.441 4.135 20 30 DIEDRO [NH2+]=C(Nc1ccc2c(c1)CC/C2=N/O)C12CC3CC(CC(C3)C1)C2 ZINC001163848199 1048537449 /nfs/dbraw/zinc/53/74/49/1048537449.db2.gz LGUXETNBZBSJPV-NKFKGCMQSA-N 1 0 323.440 4.417 20 30 DIEDRO COc1ccc(C[NH2+]C2(C(C)(C)c3ccccc3)CC2)cc1C#N ZINC001202398503 1048548414 /nfs/dbraw/zinc/54/84/14/1048548414.db2.gz PQSXMQJHAJFRSO-UHFFFAOYSA-N 1 0 320.436 4.167 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC001202436058 1048552917 /nfs/dbraw/zinc/55/29/17/1048552917.db2.gz PXELXXCYOOTANK-UHFFFAOYSA-N 1 0 301.261 4.361 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(OC)CCC2)cc1 ZINC000780746451 1048569752 /nfs/dbraw/zinc/56/97/52/1048569752.db2.gz OURTYEYSQJYMHL-AWEZNQCLSA-N 1 0 309.837 4.038 20 30 DIEDRO Cc1cc(C#N)c(F)cc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176197831 1048578796 /nfs/dbraw/zinc/57/87/96/1048578796.db2.gz LRFBVXTWVWPLQJ-UHFFFAOYSA-N 1 0 309.388 4.345 20 30 DIEDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000107320024 1048580101 /nfs/dbraw/zinc/58/01/01/1048580101.db2.gz ACDCEPHGLKIKHU-SJORKVTESA-N 1 0 308.425 4.445 20 30 DIEDRO CC(C)(C#N)c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC001176194340 1048590794 /nfs/dbraw/zinc/59/07/94/1048590794.db2.gz BQKINCCCTGGQLB-UHFFFAOYSA-N 1 0 320.440 4.222 20 30 DIEDRO N#Cc1cc(F)c(Nc2cccc(C[NH+]3CCCC3)c2)c(F)c1 ZINC001176199445 1048615422 /nfs/dbraw/zinc/61/54/22/1048615422.db2.gz VRYPPAGHTZHJSX-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC001176292194 1048622152 /nfs/dbraw/zinc/62/21/52/1048622152.db2.gz PPXAKPZHNLHRFY-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000850225656 1048625255 /nfs/dbraw/zinc/62/52/55/1048625255.db2.gz GAXHIVVKLTWSQU-FQEVSTJZSA-N 1 0 300.405 4.096 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)cc2)CC1 ZINC000850284800 1048629850 /nfs/dbraw/zinc/62/98/50/1048629850.db2.gz PLLZIDYLXQVQTJ-LJQANCHMSA-N 1 0 322.839 4.152 20 30 DIEDRO COc1ccc(C[NH2+][C@H](c2ccccc2F)C(C)C)cc1C#N ZINC000850361979 1048638079 /nfs/dbraw/zinc/63/80/79/1048638079.db2.gz GVPMGXIBNIWTML-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)cc1 ZINC000850391427 1048646812 /nfs/dbraw/zinc/64/68/12/1048646812.db2.gz PVHFWDSECUWRBJ-UHFFFAOYSA-N 1 0 319.395 4.146 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775274547 1048647237 /nfs/dbraw/zinc/64/72/37/1048647237.db2.gz OTJLEZXKRPHARK-CVEARBPZSA-N 1 0 300.446 4.209 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc(CC)cc2)CC1 ZINC000482642877 1048651665 /nfs/dbraw/zinc/65/16/65/1048651665.db2.gz DAJOYGRUCLSOQS-FQEVSTJZSA-N 1 0 300.490 4.330 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1 ZINC000850438264 1048655928 /nfs/dbraw/zinc/65/59/28/1048655928.db2.gz DDXIXTBMVVGSPF-CABCVRRESA-N 1 0 306.409 4.295 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccncc1 ZINC000850435263 1048656974 /nfs/dbraw/zinc/65/69/74/1048656974.db2.gz KQBDRORIPCPFBO-KXBFYZLASA-N 1 0 308.425 4.375 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)c1ccc(OCC#N)cc1 ZINC000850444630 1048657668 /nfs/dbraw/zinc/65/76/68/1048657668.db2.gz YPVJHFOTJWWISB-KGLIPLIRSA-N 1 0 321.380 4.142 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc2c(c1)CCCO2 ZINC000850459866 1048665771 /nfs/dbraw/zinc/66/57/71/1048665771.db2.gz IMGVMEBQKUBEGR-KGLIPLIRSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCO2 ZINC000850466933 1048667488 /nfs/dbraw/zinc/66/74/88/1048667488.db2.gz YEPNDDHOAAGERM-VLIAUNLRSA-N 1 0 318.420 4.221 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC2CC(OC)C2)cc1 ZINC000850482158 1048671280 /nfs/dbraw/zinc/67/12/80/1048671280.db2.gz PWWXSKMCMQFSSP-KSTDHSDQSA-N 1 0 323.864 4.284 20 30 DIEDRO C#CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001176454096 1048687599 /nfs/dbraw/zinc/68/75/99/1048687599.db2.gz YSTNLVMIBDTAMV-FQEVSTJZSA-N 1 0 320.392 4.108 20 30 DIEDRO C#CCN(Cc1ncoc1C(C)C)[C@@H]1CCCc2ccccc21 ZINC001176452922 1048688453 /nfs/dbraw/zinc/68/84/53/1048688453.db2.gz NFRSORQOFUQQRF-LJQANCHMSA-N 1 0 308.425 4.311 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2CCC(O)CC2)cc1 ZINC000850555764 1048691017 /nfs/dbraw/zinc/69/10/17/1048691017.db2.gz QAWJUVOUOJDPIA-UQPPLGOBSA-N 1 0 323.864 4.020 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000482906542 1048701851 /nfs/dbraw/zinc/70/18/51/1048701851.db2.gz WOIVQMDRJGUZBT-FQEVSTJZSA-N 1 0 323.436 4.427 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)cc1 ZINC000160545725 1048709128 /nfs/dbraw/zinc/70/91/28/1048709128.db2.gz AOPQHJAPZREORE-IBGZPJMESA-N 1 0 310.372 4.043 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3ccc(F)c(C#N)c3)cc2)CC1 ZINC001176615746 1048736326 /nfs/dbraw/zinc/73/63/26/1048736326.db2.gz OUSOETRUYUHNCY-UHFFFAOYSA-N 1 0 309.388 4.250 20 30 DIEDRO C#CCCCCCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC001190457731 1048741156 /nfs/dbraw/zinc/74/11/56/1048741156.db2.gz QKKKSSOHBYFDKX-UHFFFAOYSA-N 1 0 304.522 4.158 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1C ZINC001176629323 1048741748 /nfs/dbraw/zinc/74/17/48/1048741748.db2.gz LCGXMMFYSPSRSN-OAHLLOKOSA-N 1 0 313.828 4.359 20 30 DIEDRO N#CC1(CC[NH+]2CCC(Oc3ccccc3)CC2)CCCCC1 ZINC001190503606 1048747644 /nfs/dbraw/zinc/74/76/44/1048747644.db2.gz UHTYOWBKUKTBHI-UHFFFAOYSA-N 1 0 312.457 4.394 20 30 DIEDRO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000483187791 1048754143 /nfs/dbraw/zinc/75/41/43/1048754143.db2.gz VQVYMWNGZDEXRJ-HXUWFJFHSA-N 1 0 323.440 4.023 20 30 DIEDRO CCc1onc(C)c1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001190616639 1048758207 /nfs/dbraw/zinc/75/82/07/1048758207.db2.gz ORCVCOPOMPILAX-UHFFFAOYSA-N 1 0 311.429 4.075 20 30 DIEDRO CO[C@@H](CC(C)C)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001190615648 1048759064 /nfs/dbraw/zinc/75/90/64/1048759064.db2.gz GSTJOGVJIJGMLK-IBGZPJMESA-N 1 0 302.462 4.077 20 30 DIEDRO CC1(c2cccc(Cl)c2)CC[NH+](CCCSCC#N)CC1 ZINC000483240343 1048762608 /nfs/dbraw/zinc/76/26/08/1048762608.db2.gz HITJFQLDAMPQLX-UHFFFAOYSA-N 1 0 322.905 4.340 20 30 DIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001190597528 1048763085 /nfs/dbraw/zinc/76/30/85/1048763085.db2.gz NRXBLBAYNVUHNX-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775402016 1048766450 /nfs/dbraw/zinc/76/64/50/1048766450.db2.gz XHUKKPQRLVNKSU-LPTQZCDUSA-N 1 0 320.436 4.037 20 30 DIEDRO C=CC[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1F ZINC001190759836 1048780603 /nfs/dbraw/zinc/78/06/03/1048780603.db2.gz FQCGVLGZGXEMJZ-LLVKDONJSA-N 1 0 300.215 4.375 20 30 DIEDRO COc1ccc(C[C@@H](C)[N@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC001190753208 1048783228 /nfs/dbraw/zinc/78/32/28/1048783228.db2.gz QEFKIZCSBKYVKP-QGZVFWFLSA-N 1 0 314.473 4.422 20 30 DIEDRO C=CCCCC[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC001176752563 1048787888 /nfs/dbraw/zinc/78/78/88/1048787888.db2.gz FHZZFRWDCRMOSW-UHFFFAOYSA-N 1 0 304.503 4.243 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1OC ZINC001176771635 1048789055 /nfs/dbraw/zinc/78/90/55/1048789055.db2.gz OTXRMQBMDJPERY-OAHLLOKOSA-N 1 0 324.262 4.388 20 30 DIEDRO FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001176813389 1048792681 /nfs/dbraw/zinc/79/26/81/1048792681.db2.gz AGSDAIZSFJOOHV-ZNXRZULTSA-N 1 0 305.824 4.294 20 30 DIEDRO C=CCCC[N@@H+](CC)CCc1nc(-c2cccc(Cl)c2)no1 ZINC001176798571 1048793796 /nfs/dbraw/zinc/79/37/96/1048793796.db2.gz SUBMPCCVILONOP-UHFFFAOYSA-N 1 0 319.836 4.221 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC001190884494 1048798253 /nfs/dbraw/zinc/79/82/53/1048798253.db2.gz WFWIVIUKQXYYGH-OAQYLSRUSA-N 1 0 320.436 4.139 20 30 DIEDRO C[C@@H]1CC[C@@](CO)([NH2+]CCCCC(C)(C)C#N)c2ccccc21 ZINC001176933452 1048801942 /nfs/dbraw/zinc/80/19/42/1048801942.db2.gz XQZFIXYBRWPHSF-UZLBHIALSA-N 1 0 314.473 4.081 20 30 DIEDRO Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1CC#N ZINC001166899574 1048810277 /nfs/dbraw/zinc/81/02/77/1048810277.db2.gz CHRZZKSCOKRKFM-OAQYLSRUSA-N 1 0 319.452 4.310 20 30 DIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)c(F)c1 ZINC000483512787 1048810910 /nfs/dbraw/zinc/81/09/10/1048810910.db2.gz AYEQBFRESQWGMT-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO SCc1ccccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166909497 1048812691 /nfs/dbraw/zinc/81/26/91/1048812691.db2.gz BUUQRBHHFCSEDY-IBGZPJMESA-N 1 0 312.482 4.365 20 30 DIEDRO C(#Cc1ccccc1)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000483526915 1048815411 /nfs/dbraw/zinc/81/54/11/1048815411.db2.gz AXVVLGPUEHLHJG-SFHVURJKSA-N 1 0 318.445 4.485 20 30 DIEDRO CC(C)[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000483524282 1048815873 /nfs/dbraw/zinc/81/58/73/1048815873.db2.gz CKMVUAIQEJBTLM-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483583423 1048820519 /nfs/dbraw/zinc/82/05/19/1048820519.db2.gz MBYHDKNHHPHNEL-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC001177127504 1048827224 /nfs/dbraw/zinc/82/72/24/1048827224.db2.gz FAWSOXBCIGLBBZ-AZUAARDMSA-N 1 0 323.484 4.383 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483651225 1048830074 /nfs/dbraw/zinc/83/00/74/1048830074.db2.gz JONFQSKMWNASFL-IACUBPJLSA-N 1 0 317.408 4.435 20 30 DIEDRO CCCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001167024519 1048834188 /nfs/dbraw/zinc/83/41/88/1048834188.db2.gz YVSFZFGKZNOTKD-UHFFFAOYSA-N 1 0 311.347 4.201 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)c(C#N)c1 ZINC001167023883 1048834544 /nfs/dbraw/zinc/83/45/44/1048834544.db2.gz MJFYZUAOOSSPHC-UHFFFAOYSA-N 1 0 303.409 4.151 20 30 DIEDRO CCCCCCCCNC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001191061695 1048834777 /nfs/dbraw/zinc/83/47/77/1048834777.db2.gz VLEDQEYPKZIUJH-SFHVURJKSA-N 1 0 323.525 4.007 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cccc(F)c2)o1 ZINC000852302952 1048835106 /nfs/dbraw/zinc/83/51/06/1048835106.db2.gz ITMBOGVMSUYWMC-CZUORRHYSA-N 1 0 315.392 4.100 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000852412223 1048836858 /nfs/dbraw/zinc/83/68/58/1048836858.db2.gz ZQDSMMGTKWDAKO-HZPDHXFCSA-N 1 0 311.429 4.394 20 30 DIEDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001191068788 1048837830 /nfs/dbraw/zinc/83/78/30/1048837830.db2.gz FJYCZNKFDJITAZ-STQMWFEESA-N 1 0 321.262 4.331 20 30 DIEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC001191068786 1048838876 /nfs/dbraw/zinc/83/88/76/1048838876.db2.gz FJYCZNKFDJITAZ-QWHCGFSZSA-N 1 0 321.262 4.331 20 30 DIEDRO CCCCCCCCNC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001191072216 1048839915 /nfs/dbraw/zinc/83/99/15/1048839915.db2.gz BHMJUZKPHJQXMH-UHFFFAOYSA-N 1 0 319.493 4.273 20 30 DIEDRO Cc1ccc(C[N@H+](CCC#N)CC(C)(C)C)c(-c2ccnn2C)c1 ZINC000338945871 1048844700 /nfs/dbraw/zinc/84/47/00/1048844700.db2.gz WYAZJUQVJQEIFC-UHFFFAOYSA-N 1 0 324.472 4.157 20 30 DIEDRO C=CCc1cc(C[NH2+]CC[C@H]2CCCC2(C)C)cc(OC)c1O ZINC001203208739 1048846482 /nfs/dbraw/zinc/84/64/82/1048846482.db2.gz UJNFFMPTERPTOC-QGZVFWFLSA-N 1 0 317.473 4.435 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1)C(C)C ZINC001177222163 1048847761 /nfs/dbraw/zinc/84/77/61/1048847761.db2.gz HXJFGIWFNWKZCI-VAMGGRTRSA-N 1 0 306.538 4.489 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC001177226648 1048847983 /nfs/dbraw/zinc/84/79/83/1048847983.db2.gz TZJSLBSGHCJQDI-FQEVSTJZSA-N 1 0 300.490 4.092 20 30 DIEDRO CCCCCCCNC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001191104875 1048851629 /nfs/dbraw/zinc/85/16/29/1048851629.db2.gz VTJZYEWECSZGMM-UHFFFAOYSA-N 1 0 317.477 4.374 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000852686421 1048854020 /nfs/dbraw/zinc/85/40/20/1048854020.db2.gz URXDJLUSGAVPRP-OIISXLGYSA-N 1 0 309.413 4.289 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000852685131 1048855035 /nfs/dbraw/zinc/85/50/35/1048855035.db2.gz CBGBHKRGFIRHLL-CALCHBBNSA-N 1 0 309.409 4.093 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852687933 1048855779 /nfs/dbraw/zinc/85/57/79/1048855779.db2.gz OPSVDULANKNAIH-GASCZTMLSA-N 1 0 309.331 4.115 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC000852730393 1048859391 /nfs/dbraw/zinc/85/93/91/1048859391.db2.gz FCPFZVZXZOWLFQ-SJORKVTESA-N 1 0 322.880 4.318 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc2c(c1)CCCO2 ZINC000852782997 1048860300 /nfs/dbraw/zinc/86/03/00/1048860300.db2.gz XXJUOAOGIMNWGY-OAHLLOKOSA-N 1 0 300.446 4.382 20 30 DIEDRO C[C@@H](CCc1ccco1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000338953278 1048860417 /nfs/dbraw/zinc/86/04/17/1048860417.db2.gz KFZNHPVLLZAARW-INIZCTEOSA-N 1 0 312.413 4.073 20 30 DIEDRO CCCCCCCNC(=O)N1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001191095691 1048863129 /nfs/dbraw/zinc/86/31/29/1048863129.db2.gz ITMSZWPWGLXCEG-ZWKOTPCHSA-N 1 0 323.525 4.005 20 30 DIEDRO CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)O1 ZINC001191155345 1048865436 /nfs/dbraw/zinc/86/54/36/1048865436.db2.gz FSASQYGXHTUUGZ-QRVBRYPASA-N 1 0 312.457 4.106 20 30 DIEDRO CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)O1 ZINC001191155347 1048867391 /nfs/dbraw/zinc/86/73/91/1048867391.db2.gz FSASQYGXHTUUGZ-QYZOEREBSA-N 1 0 312.457 4.106 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001191157381 1048868762 /nfs/dbraw/zinc/86/87/62/1048868762.db2.gz XSIUAQXGTZTHPH-FGZHOGPDSA-N 1 0 316.448 4.447 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001191191410 1048892026 /nfs/dbraw/zinc/89/20/26/1048892026.db2.gz AXOOOTAYUDTLNT-KRWDZBQOSA-N 1 0 310.828 4.276 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[C@H]1c1ccccc1 ZINC001191223196 1048902341 /nfs/dbraw/zinc/90/23/41/1048902341.db2.gz MUUWERQHCULFPC-DYESRHJHSA-N 1 0 304.437 4.378 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[C@@H]1c1ccccc1 ZINC001191223199 1048903914 /nfs/dbraw/zinc/90/39/14/1048903914.db2.gz MUUWERQHCULFPC-UWJYYQICSA-N 1 0 304.437 4.378 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1c1ccccc1 ZINC001191224070 1048904069 /nfs/dbraw/zinc/90/40/69/1048904069.db2.gz SFWCELNVYCADCV-BEFAXECRSA-N 1 0 308.400 4.323 20 30 DIEDRO CC(N=Nc1nc2ccc(Cl)cc2s1)C1CC[NH+](C)CC1 ZINC000853439055 1048905393 /nfs/dbraw/zinc/90/53/93/1048905393.db2.gz ZJYWSSBJLRQPMR-UHFFFAOYSA-N 1 0 322.865 4.079 20 30 DIEDRO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)[C@@H](c2ccccc2)CO1 ZINC001191234506 1048906385 /nfs/dbraw/zinc/90/63/85/1048906385.db2.gz VEYXLNRQGRQXAY-IEBWSBKVSA-N 1 0 312.457 4.313 20 30 DIEDRO COc1cccc2c1CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C2 ZINC001177524769 1048906847 /nfs/dbraw/zinc/90/68/47/1048906847.db2.gz IBNRRTLPECUJRZ-KXBFYZLASA-N 1 0 320.436 4.165 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000853524933 1048908382 /nfs/dbraw/zinc/90/83/82/1048908382.db2.gz AAPGUVPZGBJMKZ-CQSZACIVSA-N 1 0 320.392 4.417 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC001191266976 1048911337 /nfs/dbraw/zinc/91/13/37/1048911337.db2.gz BTNYLCDOKGGCLN-LJQANCHMSA-N 1 0 310.416 4.459 20 30 DIEDRO COc1ccc(C[NH2+]C2CCC(C(C)(C)C)CC2)cc1C#N ZINC001203485837 1048911360 /nfs/dbraw/zinc/91/13/60/1048911360.db2.gz PXTFRFQOCVTRRH-UHFFFAOYSA-N 1 0 300.446 4.261 20 30 DIEDRO Cc1ccc(OC[C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001177537101 1048911615 /nfs/dbraw/zinc/91/16/15/1048911615.db2.gz KVVJVMAUSNBPQJ-QGZVFWFLSA-N 1 0 320.436 4.107 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCOc1ccccc1C#N ZINC001191269639 1048911896 /nfs/dbraw/zinc/91/18/96/1048911896.db2.gz VVSABECUGFOLBI-HXUWFJFHSA-N 1 0 322.452 4.199 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)c(F)c1 ZINC001177566235 1048916909 /nfs/dbraw/zinc/91/69/09/1048916909.db2.gz QRSJLUMWSZAQGK-UHFFFAOYSA-N 1 0 323.198 4.336 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC001177570875 1048918146 /nfs/dbraw/zinc/91/81/46/1048918146.db2.gz NVPQIZHWFSVZPQ-UHFFFAOYSA-N 1 0 321.399 4.128 20 30 DIEDRO COc1ccc2c(Nc3cc(F)cc(F)c3C#N)cc[nH+]c2c1 ZINC001203528718 1048922303 /nfs/dbraw/zinc/92/23/03/1048922303.db2.gz VINMVYCFAJAQPG-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO COc1ccc2c(Nc3cc(F)c(C#N)cc3C)cc[nH+]c2c1 ZINC001203527920 1048922742 /nfs/dbraw/zinc/92/27/42/1048922742.db2.gz GWGXSXCMDDVGLB-UHFFFAOYSA-N 1 0 307.328 4.306 20 30 DIEDRO Oc1cccc2c1CCC[C@H]2[NH2+]CC#Cc1ccccc1Cl ZINC000484297756 1048923042 /nfs/dbraw/zinc/92/30/42/1048923042.db2.gz JFCYRVUYLANUQA-GOSISDBHSA-N 1 0 311.812 4.064 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001191317825 1048924510 /nfs/dbraw/zinc/92/45/10/1048924510.db2.gz NMPOFDHSRXUCPJ-YWZLYKJASA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001191315938 1048925198 /nfs/dbraw/zinc/92/51/98/1048925198.db2.gz GIIDCZOBBWOVNN-YWZLYKJASA-N 1 0 311.375 4.399 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)C1 ZINC001177636638 1048925416 /nfs/dbraw/zinc/92/54/16/1048925416.db2.gz AHQLVWVUBPCBKH-CABCVRRESA-N 1 0 304.503 4.289 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc2c(c1)CCCC2 ZINC000194803671 1048925604 /nfs/dbraw/zinc/92/56/04/1048925604.db2.gz QGOJBOJVAOWKGE-INIZCTEOSA-N 1 0 320.436 4.319 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC001177674443 1048926962 /nfs/dbraw/zinc/92/69/62/1048926962.db2.gz XRGHKEAZZXKYNL-UHFFFAOYSA-N 1 0 310.416 4.382 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCC2CCC2)c1 ZINC001203553387 1048927312 /nfs/dbraw/zinc/92/73/12/1048927312.db2.gz DWIRSRZCUFBIMK-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH2+]CCC[C@@H]2C=CCC2)c1 ZINC001203553210 1048927396 /nfs/dbraw/zinc/92/73/96/1048927396.db2.gz CAKFGFXTKRZPTE-CYBMUJFWSA-N 1 0 319.246 4.157 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C/C=C/c2c(C)cc(C)cc2C)CC1 ZINC001177683367 1048927847 /nfs/dbraw/zinc/92/78/47/1048927847.db2.gz CCAJPVVTXVENBX-VOTSOKGWSA-N 1 0 312.501 4.255 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cncc(Br)c1C ZINC001203571370 1048932447 /nfs/dbraw/zinc/93/24/47/1048932447.db2.gz GCXMIZXWCVBGED-UHFFFAOYSA-N 1 0 311.267 4.235 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001177693616 1048934978 /nfs/dbraw/zinc/93/49/78/1048934978.db2.gz WAMXHANDQVHKPJ-TZMCWYRMSA-N 1 0 309.837 4.192 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000161498638 1048938050 /nfs/dbraw/zinc/93/80/50/1048938050.db2.gz BQLHYCBAOMTODV-IBGZPJMESA-N 1 0 309.409 4.037 20 30 DIEDRO C=C(C)C[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854107986 1048941022 /nfs/dbraw/zinc/94/10/22/1048941022.db2.gz WNIAUMPNDJMBFS-UHFFFAOYSA-N 1 0 311.404 4.038 20 30 DIEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001191445808 1048948939 /nfs/dbraw/zinc/94/89/39/1048948939.db2.gz WWMGAOFDXTWXSY-LJQANCHMSA-N 1 0 310.466 4.465 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC001177871448 1048949737 /nfs/dbraw/zinc/94/97/37/1048949737.db2.gz WESXJVIQGNWRQH-QMMMGPOBSA-N 1 0 306.606 4.296 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001177870628 1048949814 /nfs/dbraw/zinc/94/98/14/1048949814.db2.gz MHTSGCMULAUAOT-QGZVFWFLSA-N 1 0 306.453 4.304 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001203658861 1048951678 /nfs/dbraw/zinc/95/16/78/1048951678.db2.gz VEDMISAOIZDCCE-CQSZACIVSA-N 1 0 312.369 4.010 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)C1 ZINC001177924258 1048959600 /nfs/dbraw/zinc/95/96/00/1048959600.db2.gz HTCGNWXAWBPSPG-CVEARBPZSA-N 1 0 324.509 4.404 20 30 DIEDRO Cc1cccc(OCCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776743547 1048972581 /nfs/dbraw/zinc/97/25/81/1048972581.db2.gz YVCVGHDPWSRNOM-OAHLLOKOSA-N 1 0 312.388 4.126 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3(Cc4ccccc4)CCC3)cc2)CC1 ZINC001177977043 1048975513 /nfs/dbraw/zinc/97/55/13/1048975513.db2.gz OHOKKHXACRUVLU-UHFFFAOYSA-N 1 0 316.448 4.497 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000776747403 1048979090 /nfs/dbraw/zinc/97/90/90/1048979090.db2.gz XFUGQSCRCRLCPB-CQSZACIVSA-N 1 0 306.450 4.275 20 30 DIEDRO C#CCCCC[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC001178166098 1048992819 /nfs/dbraw/zinc/99/28/19/1048992819.db2.gz WHERDSUWIMQPKV-UHFFFAOYSA-N 1 0 323.484 4.371 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001178165985 1048993058 /nfs/dbraw/zinc/99/30/58/1048993058.db2.gz QDLDYPMLMKDFMZ-ZDUSSCGKSA-N 1 0 323.278 4.104 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Br)ccc1OC)C(C)(C)C ZINC001203783209 1048995339 /nfs/dbraw/zinc/99/53/39/1048995339.db2.gz XCZYTXZRXSVEJT-UHFFFAOYSA-N 1 0 312.251 4.244 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000854844751 1048995364 /nfs/dbraw/zinc/99/53/64/1048995364.db2.gz XFBNCXHXSSAKMS-CSNJMZFVSA-N 1 0 308.510 4.115 20 30 DIEDRO N#Cc1cc(F)c(Nc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC001203807348 1049003094 /nfs/dbraw/zinc/00/30/94/1049003094.db2.gz QEYUUDMJVALMES-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000776793243 1049010749 /nfs/dbraw/zinc/01/07/49/1049010749.db2.gz ZAHKQWFHJKMCKF-LZJOCLMNSA-N 1 0 320.436 4.217 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(OC)cc(OC)c1 ZINC001203859106 1049017322 /nfs/dbraw/zinc/01/73/22/1049017322.db2.gz GZKSXTTZYKGSMI-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC001191949698 1049019797 /nfs/dbraw/zinc/01/97/97/1049019797.db2.gz MVHJKINEYBXOFD-HXUWFJFHSA-N 1 0 324.399 4.207 20 30 DIEDRO C[C@@H]1OC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC001203907220 1049027665 /nfs/dbraw/zinc/02/76/65/1049027665.db2.gz ROCJPQQJFMPDFV-INIZCTEOSA-N 1 0 318.420 4.141 20 30 DIEDRO COc1cccc(C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)c1 ZINC001203906059 1049027802 /nfs/dbraw/zinc/02/78/02/1049027802.db2.gz KEMIKYKQCQDNOC-HXUWFJFHSA-N 1 0 320.436 4.022 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2cccc(OCC)c2)cc1 ZINC000113330681 1049033660 /nfs/dbraw/zinc/03/36/60/1049033660.db2.gz QVKFDXOOZONWTG-QGZVFWFLSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000113339226 1049033959 /nfs/dbraw/zinc/03/39/59/1049033959.db2.gz PNJSRDBGUWXYOJ-FQEVSTJZSA-N 1 0 309.384 4.005 20 30 DIEDRO FC(F)(F)CCN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000484801866 1049039644 /nfs/dbraw/zinc/03/96/44/1049039644.db2.gz FBDYPPQQTPCDDR-UHFFFAOYSA-N 1 0 317.354 4.493 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(OC(C)=O)cc1 ZINC001203949362 1049040354 /nfs/dbraw/zinc/04/03/54/1049040354.db2.gz OANMDUMMSHQYCJ-UHFFFAOYSA-N 1 0 309.409 4.190 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+]CCC1(C#N)CCCCC1 ZINC001192150052 1049041727 /nfs/dbraw/zinc/04/17/27/1049041727.db2.gz UTJBPERIRGMTTB-UHFFFAOYSA-N 1 0 300.446 4.384 20 30 DIEDRO CC(C)CC[C@@H]1CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001192158813 1049044834 /nfs/dbraw/zinc/04/48/34/1049044834.db2.gz MRAOICAJJKUFRF-SFHVURJKSA-N 1 0 300.446 4.228 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H](C)CC2)cc1OC ZINC001178509753 1049046507 /nfs/dbraw/zinc/04/65/07/1049046507.db2.gz OLLJCDZYOXNKEX-RDJZCZTQSA-N 1 0 303.446 4.318 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1ccccc1NC)c1ccc(F)c(F)c1 ZINC001178524931 1049050196 /nfs/dbraw/zinc/05/01/96/1049050196.db2.gz QHCDNEWSSISXAI-SFHVURJKSA-N 1 0 302.368 4.414 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@H](Cc2ccccc2)C(C)C)cc1 ZINC001178519448 1049050307 /nfs/dbraw/zinc/05/03/07/1049050307.db2.gz VEKXLFKYLLYGDP-NRFANRHFSA-N 1 0 321.464 4.303 20 30 DIEDRO C=CC(C)(C)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC001203986191 1049052351 /nfs/dbraw/zinc/05/23/51/1049052351.db2.gz HWFVXLOURJWDAW-UHFFFAOYSA-N 1 0 320.177 4.105 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2OC)C1 ZINC001178537173 1049054101 /nfs/dbraw/zinc/05/41/01/1049054101.db2.gz KJWFHLUSKNPOQG-WFASDCNBSA-N 1 0 324.262 4.292 20 30 DIEDRO C=CCCCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC001178546735 1049056412 /nfs/dbraw/zinc/05/64/12/1049056412.db2.gz ZXRMSIKCLCCJAV-KRWDZBQOSA-N 1 0 323.864 4.344 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2CC(C)(c3ccccc3)C2)cc1 ZINC001178589282 1049058055 /nfs/dbraw/zinc/05/80/55/1049058055.db2.gz HFRAXWZOSFXLSH-UHFFFAOYSA-N 1 0 319.448 4.299 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001192252147 1049060410 /nfs/dbraw/zinc/06/04/10/1049060410.db2.gz GMLFXEXQVWYERN-MOPGFXCFSA-N 1 0 300.490 4.328 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001178623921 1049067296 /nfs/dbraw/zinc/06/72/96/1049067296.db2.gz CFQDUVWKEYQNDQ-XLIONFOSSA-N 1 0 323.411 4.264 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000775518980 1049073198 /nfs/dbraw/zinc/07/31/98/1049073198.db2.gz KKTJVTVYYWTXSA-OLZOCXBDSA-N 1 0 314.351 4.361 20 30 DIEDRO Cc1cc(C[NH2+]CCn2ccc3cc(Cl)ccc32)ccc1C#N ZINC001178700725 1049076912 /nfs/dbraw/zinc/07/69/12/1049076912.db2.gz ZHMHRUWCLBVXIX-UHFFFAOYSA-N 1 0 323.827 4.265 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccccc2F)c1 ZINC000113952527 1049078162 /nfs/dbraw/zinc/07/81/62/1049078162.db2.gz DKKIGJDMODSDMP-GOEBONIOSA-N 1 0 312.388 4.357 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000113952435 1049078455 /nfs/dbraw/zinc/07/84/55/1049078455.db2.gz NWZGQGUMFOHPAL-RDTXWAMCSA-N 1 0 312.388 4.357 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)CCCC1 ZINC001178710393 1049080068 /nfs/dbraw/zinc/08/00/68/1049080068.db2.gz XPMXJFXPZZMNKX-UHFFFAOYSA-N 1 0 315.457 4.463 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC001178737422 1049081463 /nfs/dbraw/zinc/08/14/63/1049081463.db2.gz SRIMRLXBOBGNHK-UHFFFAOYSA-N 1 0 302.643 4.404 20 30 DIEDRO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCc1ccc(C#N)cc1 ZINC001192304237 1049081743 /nfs/dbraw/zinc/08/17/43/1049081743.db2.gz RXUUPMFCQFCXTD-LSDHHAIUSA-N 1 0 308.400 4.248 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cc3cc(C)c(C)cc3o2)cc1 ZINC001178754074 1049082470 /nfs/dbraw/zinc/08/24/70/1049082470.db2.gz AUMRRGRTIQTUPL-UHFFFAOYSA-N 1 0 319.404 4.351 20 30 DIEDRO CCCCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000856732872 1049102037 /nfs/dbraw/zinc/10/20/37/1049102037.db2.gz GFWBZJCRLCXALX-ZWKOTPCHSA-N 1 0 302.462 4.198 20 30 DIEDRO CCCCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000856732871 1049102544 /nfs/dbraw/zinc/10/25/44/1049102544.db2.gz GFWBZJCRLCXALX-ROUUACIJSA-N 1 0 302.462 4.198 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856782006 1049105715 /nfs/dbraw/zinc/10/57/15/1049105715.db2.gz XGIMVEOBOIQVHK-SECBINFHSA-N 1 0 305.731 4.098 20 30 DIEDRO C=CCCCCCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC001178860297 1049105813 /nfs/dbraw/zinc/10/58/13/1049105813.db2.gz YPPSQLUXWAGSFH-UHFFFAOYSA-N 1 0 303.372 4.055 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779510 1049106375 /nfs/dbraw/zinc/10/63/75/1049106375.db2.gz ZNKWRLOMOSPUAY-AEJSXWLSSA-N 1 0 317.742 4.097 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001178939739 1049111161 /nfs/dbraw/zinc/11/11/61/1049111161.db2.gz QYRSKSZHZKBIJB-IBGZPJMESA-N 1 0 317.436 4.354 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC001178939894 1049111250 /nfs/dbraw/zinc/11/12/50/1049111250.db2.gz XBAGACVFELCIKT-LJQANCHMSA-N 1 0 317.436 4.149 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC001178939591 1049111411 /nfs/dbraw/zinc/11/14/11/1049111411.db2.gz LGIZZQVQQAAGMC-OAHLLOKOSA-N 1 0 304.796 4.151 20 30 DIEDRO N#Cc1ccc(CN(Cc2cc(C(F)(F)F)co2)C2CC2)cc1 ZINC001192490279 1049114624 /nfs/dbraw/zinc/11/46/24/1049114624.db2.gz NWFJYJVNLJAKIG-UHFFFAOYSA-N 1 0 320.314 4.335 20 30 DIEDRO Cc1cccc(C2=CCN(Cc3cccc(C#N)c3F)CC2)c1 ZINC001192556608 1049115099 /nfs/dbraw/zinc/11/50/99/1049115099.db2.gz DZNSAYUFUPXYBM-UHFFFAOYSA-N 1 0 306.384 4.295 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C/C=C\c1cccc(F)c1 ZINC001178971209 1049115375 /nfs/dbraw/zinc/11/53/75/1049115375.db2.gz FXOOMZISFXHXKG-BOYDRYHPSA-N 1 0 306.384 4.378 20 30 DIEDRO CC1([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC=CC1 ZINC001179049394 1049123845 /nfs/dbraw/zinc/12/38/45/1049123845.db2.gz NVSRUYLNXFEWGW-UHFFFAOYSA-N 1 0 318.420 4.336 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(Br)cc1 ZINC001192653133 1049124259 /nfs/dbraw/zinc/12/42/59/1049124259.db2.gz MBYCSCVRESTRDO-UHFFFAOYSA-N 1 0 320.230 4.273 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C#N)c2)cc1F ZINC001192627408 1049124649 /nfs/dbraw/zinc/12/46/49/1049124649.db2.gz VWUSAWWFFVKIGI-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1NCCC2 ZINC001204270731 1049126632 /nfs/dbraw/zinc/12/66/32/1049126632.db2.gz QLROZJGQSULJEY-UHFFFAOYSA-N 1 0 319.452 4.327 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC001192673065 1049128619 /nfs/dbraw/zinc/12/86/19/1049128619.db2.gz LKLWERQUYBUFBQ-LEWJYISDSA-N 1 0 309.453 4.277 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O[C@@H](C)COC)cc1 ZINC001179142634 1049129821 /nfs/dbraw/zinc/12/98/21/1049129821.db2.gz KGRLBROLOCFFKT-HQRMLTQVSA-N 1 0 317.473 4.325 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cn(-c3ccccc3C)nn2)CCCC1 ZINC001179143592 1049132398 /nfs/dbraw/zinc/13/23/98/1049132398.db2.gz ZPJGESNOTHMCRC-UHFFFAOYSA-N 1 0 324.472 4.192 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](c3cccc(OC)c3)C2)cc1 ZINC001204302092 1049134874 /nfs/dbraw/zinc/13/48/74/1049134874.db2.gz BCYVEGZFUOLDGU-IBGZPJMESA-N 1 0 323.436 4.250 20 30 DIEDRO C=CCOCCC[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC001179169187 1049140326 /nfs/dbraw/zinc/14/03/26/1049140326.db2.gz SJYCRFCQACFLNJ-OWBHPGMISA-N 1 0 313.363 4.291 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001192870496 1049141466 /nfs/dbraw/zinc/14/14/66/1049141466.db2.gz VFHHYIGSLQHFQP-HOTGVXAUSA-N 1 0 312.498 4.192 20 30 DIEDRO N#CCC[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1 ZINC000775554326 1049145045 /nfs/dbraw/zinc/14/50/45/1049145045.db2.gz WVFGGGOPIJVSSP-GOSISDBHSA-N 1 0 300.352 4.142 20 30 DIEDRO Cc1c(C[NH2+][C@H](CCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000775554222 1049145216 /nfs/dbraw/zinc/14/52/16/1049145216.db2.gz VVZMQVPVHMXEMQ-QGZVFWFLSA-N 1 0 309.369 4.038 20 30 DIEDRO C[C@H]1OC2(CC[NH+](Cc3ccccc3C#N)CC2)c2ccccc21 ZINC001204374821 1049153094 /nfs/dbraw/zinc/15/30/94/1049153094.db2.gz JCCGVDKAKGHRHF-MRXNPFEDSA-N 1 0 318.420 4.141 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC001179324405 1049156123 /nfs/dbraw/zinc/15/61/23/1049156123.db2.gz AHYNAFZOMFPMAR-UHFFFAOYSA-N 1 0 311.473 4.478 20 30 DIEDRO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C)c2ncccc2c1 ZINC001204489667 1049174418 /nfs/dbraw/zinc/17/44/18/1049174418.db2.gz WQPPDOKLWRCEIC-UHFFFAOYSA-N 1 0 318.395 4.318 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC001179540928 1049179159 /nfs/dbraw/zinc/17/91/59/1049179159.db2.gz BUBKPMYPHMUQAW-UHFFFAOYSA-N 1 0 319.246 4.157 20 30 DIEDRO Cc1cc(C)cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001204519099 1049181211 /nfs/dbraw/zinc/18/12/11/1049181211.db2.gz SWOGVFKPHYQRRZ-UHFFFAOYSA-N 1 0 304.437 4.361 20 30 DIEDRO C=CCOCC[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001193261402 1049192715 /nfs/dbraw/zinc/19/27/15/1049192715.db2.gz OBOIQUJETURISW-UHFFFAOYSA-N 1 0 312.240 4.285 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000775589483 1049195472 /nfs/dbraw/zinc/19/54/72/1049195472.db2.gz PGCNELXNZPUKOU-SJORKVTESA-N 1 0 322.493 4.064 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000115622313 1049199830 /nfs/dbraw/zinc/19/98/30/1049199830.db2.gz RDRZKWKBWBHJSW-VQIMIIECSA-N 1 0 323.440 4.168 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+]2[C@H](C)CC[C@@H]2C)cc1OC ZINC001204625002 1049205443 /nfs/dbraw/zinc/20/54/43/1049205443.db2.gz IZSJGGAATQIMGA-BETUJISGSA-N 1 0 309.837 4.286 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000777007068 1049226332 /nfs/dbraw/zinc/22/63/32/1049226332.db2.gz MSWLJGJSRSYQRV-CQSZACIVSA-N 1 0 310.372 4.068 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000858239245 1049229050 /nfs/dbraw/zinc/22/90/50/1049229050.db2.gz QYPDUOCBQNNFBL-YWZLYKJASA-N 1 0 321.424 4.003 20 30 DIEDRO COc1cc(C#N)ccc1Nc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001204700425 1049232875 /nfs/dbraw/zinc/23/28/75/1049232875.db2.gz RFFJAMJOXXLSEY-UHFFFAOYSA-N 1 0 309.413 4.199 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2cc(F)c(F)c(C#N)c2)cc1 ZINC001204705085 1049234426 /nfs/dbraw/zinc/23/44/26/1049234426.db2.gz HBHTZBXBYVOIOX-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)n1 ZINC001179973555 1049240216 /nfs/dbraw/zinc/24/02/16/1049240216.db2.gz CFLGQZAAWKWDES-QZMUEMGWSA-N 1 0 317.436 4.411 20 30 DIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001193649508 1049241285 /nfs/dbraw/zinc/24/12/85/1049241285.db2.gz RRTVWIJDPGETHG-MJGOQNOKSA-N 1 0 300.446 4.276 20 30 DIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001193649507 1049241345 /nfs/dbraw/zinc/24/13/45/1049241345.db2.gz RRTVWIJDPGETHG-IEBWSBKVSA-N 1 0 300.446 4.276 20 30 DIEDRO CCCCCCCCC[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC001204737142 1049246659 /nfs/dbraw/zinc/24/66/59/1049246659.db2.gz UHAVTOPUIWYFEE-UHFFFAOYSA-N 1 0 303.450 4.451 20 30 DIEDRO CCCCCCCCC[N@H+](C)Cc1cnc2c(cnn2C)c1 ZINC001204737431 1049247482 /nfs/dbraw/zinc/24/74/82/1049247482.db2.gz VCMHHFIAGZVKGT-UHFFFAOYSA-N 1 0 302.466 4.151 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC2CC2)c1 ZINC001179997331 1049247674 /nfs/dbraw/zinc/24/76/74/1049247674.db2.gz ILIWKAJEOYTWLO-UHFFFAOYSA-N 1 0 323.436 4.425 20 30 DIEDRO CCC(CC)(CCO)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC001193742472 1049250067 /nfs/dbraw/zinc/25/00/67/1049250067.db2.gz CALDKOTYHGSAQT-UHFFFAOYSA-N 1 0 322.452 4.256 20 30 DIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC(C)(C)C1 ZINC001204749554 1049250869 /nfs/dbraw/zinc/25/08/69/1049250869.db2.gz ABNKWZOJCAZOMI-LJQANCHMSA-N 1 0 314.473 4.223 20 30 DIEDRO C=C(Cl)C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000858381279 1049251093 /nfs/dbraw/zinc/25/10/93/1049251093.db2.gz LPINARWYRPPYPK-MRVPVSSYSA-N 1 0 313.150 4.027 20 30 DIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2csc(C#N)c2)c1 ZINC001204776314 1049261841 /nfs/dbraw/zinc/26/18/41/1049261841.db2.gz NPAIJWNKMRBNEG-GOSISDBHSA-N 1 0 311.454 4.023 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H]3CCc4ccccc43)CC2)cc1 ZINC001180132398 1049278660 /nfs/dbraw/zinc/27/86/60/1049278660.db2.gz DISJWSGYBXRXRX-OAQYLSRUSA-N 1 0 314.432 4.377 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)[C@H](C)c1ccc(Cl)cc1Cl ZINC001193913528 1049280555 /nfs/dbraw/zinc/28/05/55/1049280555.db2.gz KMVARPSYRXWBCM-CYBMUJFWSA-N 1 0 315.288 4.494 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@@H]2CCCC[C@H]2C(=O)OC)CCCC1(C)C ZINC001193919525 1049282178 /nfs/dbraw/zinc/28/21/78/1049282178.db2.gz ANUCYOPZECBFFM-BBWFWOEESA-N 1 0 307.478 4.033 20 30 DIEDRO C=CC[N@@H+](CCc1ccc(F)cc1F)Cc1ccccc1F ZINC001180173941 1049295917 /nfs/dbraw/zinc/29/59/17/1049295917.db2.gz IFXUMZQPZRJMNU-UHFFFAOYSA-N 1 0 305.343 4.335 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c(F)c1 ZINC001180154882 1049302245 /nfs/dbraw/zinc/30/22/45/1049302245.db2.gz YHEJCCWNYPKTBF-UHFFFAOYSA-N 1 0 312.388 4.061 20 30 DIEDRO Cc1cccc(C)c1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001194042528 1049306045 /nfs/dbraw/zinc/30/60/45/1049306045.db2.gz VYEOUBWZUARGTE-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO CCCC1CCC([N@H+](C)CCOc2cccc(C#N)c2)CC1 ZINC001194051264 1049309090 /nfs/dbraw/zinc/30/90/90/1049309090.db2.gz ABIHFVLWWKQYFB-UHFFFAOYSA-N 1 0 300.446 4.228 20 30 DIEDRO CC(C)([NH2+]CC1(CC#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001194058133 1049310303 /nfs/dbraw/zinc/31/03/03/1049310303.db2.gz JKHZHJREKPTBIK-UHFFFAOYSA-N 1 0 312.335 4.104 20 30 DIEDRO Fc1ccc(CC2CC[NH+](CC#Cc3ccccc3)CC2)cc1 ZINC001204917397 1049310887 /nfs/dbraw/zinc/31/08/87/1049310887.db2.gz YMSSQVXZQGJWSE-UHFFFAOYSA-N 1 0 307.412 4.132 20 30 DIEDRO Cc1ccc([C@@H]2CC[N@H+](CCc3ccc(C#N)cc3)C2)c(C)c1 ZINC001194074571 1049316160 /nfs/dbraw/zinc/31/61/60/1049316160.db2.gz XSLKAAXDSGYXSP-HXUWFJFHSA-N 1 0 304.437 4.207 20 30 DIEDRO Cc1ccc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1C#N ZINC000859224748 1049321882 /nfs/dbraw/zinc/32/18/82/1049321882.db2.gz LDNVKSGNQZULKU-UHFFFAOYSA-N 1 0 323.827 4.204 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC001204968880 1049326808 /nfs/dbraw/zinc/32/68/08/1049326808.db2.gz MHUYIYWKXCEZHU-VXGBXAGGSA-N 1 0 312.251 4.463 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CCC2(C#N)CCCCC2)[C@H](C)[C@@H]1OC ZINC001194091510 1049326615 /nfs/dbraw/zinc/32/66/15/1049326615.db2.gz NBCMHHZJYUDURO-BBWFWOEESA-N 1 0 306.494 4.280 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC001180301165 1049326700 /nfs/dbraw/zinc/32/67/00/1049326700.db2.gz JXSBYTGHJLHYCS-DLBZAZTESA-N 1 0 317.436 4.466 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1N(C)C ZINC001180280824 1049333021 /nfs/dbraw/zinc/33/30/21/1049333021.db2.gz NJWDYICQKGBZGR-UHFFFAOYSA-N 1 0 312.432 4.122 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)CC(C)(C)Oc1ccccc1 ZINC001180281008 1049334160 /nfs/dbraw/zinc/33/41/60/1049334160.db2.gz SQPIBGIANKNCDZ-UHFFFAOYSA-N 1 0 320.436 4.404 20 30 DIEDRO C=CCC1([NH2+]CCCc2c(F)cccc2Cl)CCOCC1 ZINC000668551358 1049344279 /nfs/dbraw/zinc/34/42/79/1049344279.db2.gz KXNDIOPARDWVFE-UHFFFAOYSA-N 1 0 311.828 4.127 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccnc2c(Br)cccc12 ZINC001180375155 1049346899 /nfs/dbraw/zinc/34/68/99/1049346899.db2.gz IUVPYTDCQZVSKV-UHFFFAOYSA-N 1 0 317.230 4.171 20 30 DIEDRO Cc1cccc(C)c1OCCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001194260014 1049350282 /nfs/dbraw/zinc/35/02/82/1049350282.db2.gz CDAGEKPRNKSLEW-UHFFFAOYSA-N 1 0 320.436 4.223 20 30 DIEDRO C=C(Cl)C[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC001194306178 1049353804 /nfs/dbraw/zinc/35/38/04/1049353804.db2.gz GJRRIWZJYHRZDB-CYBMUJFWSA-N 1 0 308.636 4.413 20 30 DIEDRO C#CCCCCCC[N@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC001194394368 1049368939 /nfs/dbraw/zinc/36/89/39/1049368939.db2.gz UCJCPSKTIZMXHK-FQEVSTJZSA-N 1 0 312.501 4.024 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)ccc1F ZINC001205198216 1049409630 /nfs/dbraw/zinc/40/96/30/1049409630.db2.gz IGMRNBLVTWNDOY-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO Cn1cc(CC[NH2+]CC#Cc2ccccc2)c2ccc(Cl)cc21 ZINC001180907004 1049417120 /nfs/dbraw/zinc/41/71/20/1049417120.db2.gz OYOOHRQZEUJALF-UHFFFAOYSA-N 1 0 322.839 4.016 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC001180928222 1049420182 /nfs/dbraw/zinc/42/01/82/1049420182.db2.gz WURFNDKFULTWQU-NWDGAFQWSA-N 1 0 312.251 4.463 20 30 DIEDRO CCCCCCCCOC(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001194757052 1049426198 /nfs/dbraw/zinc/42/61/98/1049426198.db2.gz XRITZYUQCBEDER-DLBZAZTESA-N 1 0 312.498 4.192 20 30 DIEDRO CCCCCCCCCCOC(=O)NCCCC[NH+](C)C ZINC001194923055 1049448799 /nfs/dbraw/zinc/44/87/99/1049448799.db2.gz GQUWAPFRNWHBAZ-UHFFFAOYSA-N 1 0 300.487 4.195 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)c1 ZINC001205290011 1049428811 /nfs/dbraw/zinc/42/88/11/1049428811.db2.gz YVGAFXGLHMUIIJ-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO C=CCCCC[NH2+]Cc1c2cc(C)ccc2[nH]c1C(=O)OCC ZINC001181042059 1049429675 /nfs/dbraw/zinc/42/96/75/1049429675.db2.gz BXLLNENIIFOUNR-UHFFFAOYSA-N 1 0 314.429 4.099 20 30 DIEDRO C[C@H]1CC[C@@H](Nc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC001205320604 1049438166 /nfs/dbraw/zinc/43/81/66/1049438166.db2.gz KMPUNIHQKMVONJ-LAUBAEHRSA-N 1 0 319.452 4.218 20 30 DIEDRO CCCCCCCCCOC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001194920739 1049449470 /nfs/dbraw/zinc/44/94/70/1049449470.db2.gz NMOXDEDASYGIAS-UHFFFAOYSA-N 1 0 324.509 4.480 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000093492029 1049450026 /nfs/dbraw/zinc/45/00/26/1049450026.db2.gz IYBDCIQECNLXRH-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001194953763 1049454008 /nfs/dbraw/zinc/45/40/08/1049454008.db2.gz UCFNOWWBCFOCLR-DYVFJYSZSA-N 1 0 306.837 4.301 20 30 DIEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C#N)cc1Br ZINC001194953557 1049454553 /nfs/dbraw/zinc/45/45/53/1049454553.db2.gz PBPFZIIYJQVPIA-LRDDRELGSA-N 1 0 321.262 4.379 20 30 DIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C1CC1 ZINC001205390555 1049457639 /nfs/dbraw/zinc/45/76/39/1049457639.db2.gz AESLCXNPQAIXOD-QVKFZJNVSA-N 1 0 320.436 4.301 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC001181267930 1049458364 /nfs/dbraw/zinc/45/83/64/1049458364.db2.gz WVJYCHDEKBHYCC-AAEUAGOBSA-N 1 0 314.242 4.464 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2ccc(O)c(OCC)c2)CCCC1(C)C ZINC001181297172 1049461324 /nfs/dbraw/zinc/46/13/24/1049461324.db2.gz NYRANUYSZHNTJK-SFHVURJKSA-N 1 0 303.446 4.358 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775634144 1049470455 /nfs/dbraw/zinc/47/04/55/1049470455.db2.gz RXROAQJGFXTQSH-OAHLLOKOSA-N 1 0 304.393 4.031 20 30 DIEDRO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC001181435208 1049482352 /nfs/dbraw/zinc/48/23/52/1049482352.db2.gz AOFRLEQWJTWXBT-KKSFZXQISA-N 1 0 304.437 4.465 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001181436354 1049482387 /nfs/dbraw/zinc/48/23/87/1049482387.db2.gz PYLONHSLPFMRAH-OXQOHEQNSA-N 1 0 322.839 4.346 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001205489779 1049484548 /nfs/dbraw/zinc/48/45/48/1049484548.db2.gz ZKPMUCQXPDHZEG-ZYHUDNBSSA-N 1 0 321.770 4.080 20 30 DIEDRO CCCCCCC[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC001195176645 1049492209 /nfs/dbraw/zinc/49/22/09/1049492209.db2.gz CDOJBYRRFPTXNZ-UHFFFAOYSA-N 1 0 300.487 4.146 20 30 DIEDRO C#CC[N@@H+](CCc1ccc(F)cc1Cl)Cc1ccccc1 ZINC001181638123 1049493302 /nfs/dbraw/zinc/49/33/02/1049493302.db2.gz QGOLEMGLYLNTTO-UHFFFAOYSA-N 1 0 301.792 4.157 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC001181598731 1049493959 /nfs/dbraw/zinc/49/39/59/1049493959.db2.gz GKIKKNYHABVGGF-ZDUSSCGKSA-N 1 0 303.837 4.213 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OCCC)cc1C ZINC001181637187 1049493964 /nfs/dbraw/zinc/49/39/64/1049493964.db2.gz BCQJOMQAFSZSCJ-UHFFFAOYSA-N 1 0 307.437 4.419 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000862440431 1049494447 /nfs/dbraw/zinc/49/44/47/1049494447.db2.gz HQXSFZHBLALJEN-AWEZNQCLSA-N 1 0 301.459 4.015 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001205575222 1049501516 /nfs/dbraw/zinc/50/15/16/1049501516.db2.gz SLHQDNOLVPOGNY-OAQYLSRUSA-N 1 0 319.452 4.026 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001195250664 1049503025 /nfs/dbraw/zinc/50/30/25/1049503025.db2.gz NRPHSONIDVGSDS-HXUWFJFHSA-N 1 0 320.436 4.205 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@H]1CC1(C)C ZINC001195268470 1049504975 /nfs/dbraw/zinc/50/49/75/1049504975.db2.gz FHDBCNTXHGUPKD-UKRRQHHQSA-N 1 0 321.262 4.235 20 30 DIEDRO C#C[C@@H]([NH2+]CC1Cc2ccccc2C1)c1ccc(Cl)cc1F ZINC001181697716 1049508375 /nfs/dbraw/zinc/50/83/75/1049508375.db2.gz MROQIMNVVGFEPW-LJQANCHMSA-N 1 0 313.803 4.158 20 30 DIEDRO FC(F)(F)C[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001195299187 1049512442 /nfs/dbraw/zinc/51/24/42/1049512442.db2.gz LYRYWYGACKADJV-AWEZNQCLSA-N 1 0 315.766 4.356 20 30 DIEDRO CC(C)(c1ccccc1)C1([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001181765644 1049516505 /nfs/dbraw/zinc/51/65/05/1049516505.db2.gz ZZXABGHDHANFQU-UHFFFAOYSA-N 1 0 308.400 4.297 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CCCOC)Cc2ccccc2)C1 ZINC001205639381 1049518488 /nfs/dbraw/zinc/51/84/88/1049518488.db2.gz AXXNBHGWSWZLDG-YZGWKJHDSA-N 1 0 301.474 4.359 20 30 DIEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC001195368576 1049519451 /nfs/dbraw/zinc/51/94/51/1049519451.db2.gz YEKRGBCDJILRLP-GOEBONIOSA-N 1 0 310.363 4.262 20 30 DIEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001195368573 1049520622 /nfs/dbraw/zinc/52/06/22/1049520622.db2.gz YEKRGBCDJILRLP-GDBMZVCRSA-N 1 0 310.363 4.262 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000119260313 1049532226 /nfs/dbraw/zinc/53/22/26/1049532226.db2.gz CMKDTEWXYLDCRO-ZBFHGGJFSA-N 1 0 323.864 4.426 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000487282304 1049543188 /nfs/dbraw/zinc/54/31/88/1049543188.db2.gz WEDKIUWQEWOATH-LLVKDONJSA-N 1 0 309.335 4.150 20 30 DIEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC001195637889 1049549006 /nfs/dbraw/zinc/54/90/06/1049549006.db2.gz CLXHNGIYKCUQCS-INIZCTEOSA-N 1 0 313.401 4.011 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@@H](C)c2cccc(Cl)c2)cc1 ZINC001181922531 1049549051 /nfs/dbraw/zinc/54/90/51/1049549051.db2.gz YJNUKMVVQNVMML-OAHLLOKOSA-N 1 0 313.828 4.245 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC001181972875 1049559024 /nfs/dbraw/zinc/55/90/24/1049559024.db2.gz UXDNSQABOVBJJR-ZDUSSCGKSA-N 1 0 300.368 4.367 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C/C=C/c1ccncc1)c1ccc(F)c(F)c1 ZINC000487577917 1049561583 /nfs/dbraw/zinc/56/15/83/1049561583.db2.gz WTTOXCZUSKKZGX-OAJJDEHYSA-N 1 0 300.352 4.280 20 30 DIEDRO C=C(C)[C@H]([NH2+]C/C=C/c1ccncc1)c1ccc(F)c(F)c1 ZINC000487577918 1049561869 /nfs/dbraw/zinc/56/18/69/1049561869.db2.gz WTTOXCZUSKKZGX-WHLIDYPQSA-N 1 0 300.352 4.280 20 30 DIEDRO C#C[C@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001182020877 1049563731 /nfs/dbraw/zinc/56/37/31/1049563731.db2.gz OPATZHIQXCLNJO-XIKOKIGWSA-N 1 0 303.327 4.172 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001182020184 1049564099 /nfs/dbraw/zinc/56/40/99/1049564099.db2.gz HXPSPCDVOVNBPM-DOTOQJQBSA-N 1 0 316.445 4.498 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001182020186 1049564391 /nfs/dbraw/zinc/56/43/91/1049564391.db2.gz HXPSPCDVOVNBPM-RDJZCZTQSA-N 1 0 316.445 4.498 20 30 DIEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)CSc2ccccc2)cc1C#N ZINC001195851911 1049574988 /nfs/dbraw/zinc/57/49/88/1049574988.db2.gz RLPWESIEWPUSFM-INIZCTEOSA-N 1 0 310.466 4.479 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC001182152110 1049577602 /nfs/dbraw/zinc/57/76/02/1049577602.db2.gz JAZLUZBJFNIUAH-IFXJQAMLSA-N 1 0 313.828 4.331 20 30 DIEDRO CC1(C)C[C@H](Nc2cccc(CC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001205849763 1049582137 /nfs/dbraw/zinc/58/21/37/1049582137.db2.gz UHXSCNUYJAPPGX-FQEVSTJZSA-N 1 0 319.452 4.218 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC001195947776 1049598386 /nfs/dbraw/zinc/59/83/86/1049598386.db2.gz XQTXCFQCKLACLJ-OAHLLOKOSA-N 1 0 313.363 4.416 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC001195947354 1049599962 /nfs/dbraw/zinc/59/99/62/1049599962.db2.gz SVIFSEFMXMWSDU-RHSMWYFYSA-N 1 0 318.848 4.121 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC001182259993 1049600789 /nfs/dbraw/zinc/60/07/89/1049600789.db2.gz AVWKEFNSQPOQTE-BDJLRTHQSA-N 1 0 318.754 4.136 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC#N)[C@H](C)C1 ZINC000775682844 1049602440 /nfs/dbraw/zinc/60/24/40/1049602440.db2.gz MPYZFDWWQXWGRJ-XJKCOSOUSA-N 1 0 306.837 4.157 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC001196057735 1049605997 /nfs/dbraw/zinc/60/59/97/1049605997.db2.gz SVMACVJRRFHHHM-CSMYWGQOSA-N 1 0 311.828 4.237 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)cc1Cl ZINC001196055770 1049606370 /nfs/dbraw/zinc/60/63/70/1049606370.db2.gz HTFQXVRWVRRBLI-ZBFHGGJFSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC001196057737 1049607466 /nfs/dbraw/zinc/60/74/66/1049607466.db2.gz SVMACVJRRFHHHM-DQYPLSBCSA-N 1 0 311.828 4.237 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC(C)C)c(Cl)c1)[C@@H](C)COC ZINC001196047646 1049609377 /nfs/dbraw/zinc/60/93/77/1049609377.db2.gz ALLUKNKFVALFIJ-AWEZNQCLSA-N 1 0 311.853 4.150 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488185888 1049611227 /nfs/dbraw/zinc/61/12/27/1049611227.db2.gz QZYDVPPATQIVFN-KRWDZBQOSA-N 1 0 311.454 4.141 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(C#N)cc1 ZINC000774159836 1049614693 /nfs/dbraw/zinc/61/46/93/1049614693.db2.gz RYAYOUVLASKDAA-HXUWFJFHSA-N 1 0 319.452 4.182 20 30 DIEDRO COc1cccc([C@]2(C)CC[N@H+](Cc3ccc(C)c(C#N)c3)C2)c1 ZINC001196142522 1049618080 /nfs/dbraw/zinc/61/80/80/1049618080.db2.gz NMDYGGWATFLEAV-OAQYLSRUSA-N 1 0 320.436 4.039 20 30 DIEDRO C#C[C@@H]([NH2+][C@H]1CC=C(C)CC1)c1ccc(Br)cc1 ZINC001205988669 1049620482 /nfs/dbraw/zinc/62/04/82/1049620482.db2.gz HUUGGKGOZZVHPN-JKSUJKDBSA-N 1 0 304.231 4.212 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(C)oc2C)c1 ZINC000774243530 1049636746 /nfs/dbraw/zinc/63/67/46/1049636746.db2.gz LIPSQXXLTQXTRI-YOEHRIQHSA-N 1 0 312.413 4.428 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000774265248 1049639599 /nfs/dbraw/zinc/63/95/99/1049639599.db2.gz JLMRMMVRWHVBDO-UXHICEINSA-N 1 0 320.392 4.326 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@H](O)c1ccccc1 ZINC000794601937 1049647873 /nfs/dbraw/zinc/64/78/73/1049647873.db2.gz VFQQWECECWCINV-QZTJIDSGSA-N 1 0 302.462 4.054 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1OCCCC#N ZINC000119986596 1049650176 /nfs/dbraw/zinc/65/01/76/1049650176.db2.gz HJMUCISXBSTMLS-DOTOQJQBSA-N 1 0 316.445 4.046 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774375952 1049653636 /nfs/dbraw/zinc/65/36/36/1049653636.db2.gz HCOILSOUQUDQAQ-JTQLQIEISA-N 1 0 320.223 4.298 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000774447330 1049664921 /nfs/dbraw/zinc/66/49/21/1049664921.db2.gz NMDABZKEYCIRSK-SECBINFHSA-N 1 0 305.274 4.145 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc(C)nc(N2CCCC2)n1 ZINC001206108525 1049656377 /nfs/dbraw/zinc/65/63/77/1049656377.db2.gz IIMABVKIIOVILG-MRXNPFEDSA-N 1 0 318.509 4.224 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000775723832 1049666045 /nfs/dbraw/zinc/66/60/45/1049666045.db2.gz NWDLDOYBIUOSKE-OALUTQOASA-N 1 0 317.379 4.214 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccc(F)c(F)c1 ZINC000775723799 1049666056 /nfs/dbraw/zinc/66/60/56/1049666056.db2.gz NJURNNNUWCIYJY-MFKMUULPSA-N 1 0 306.183 4.365 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000488515706 1049666204 /nfs/dbraw/zinc/66/62/04/1049666204.db2.gz PYOCUVRXODTGTN-UHFFFAOYSA-N 1 0 320.436 4.373 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000774454885 1049667058 /nfs/dbraw/zinc/66/70/58/1049667058.db2.gz DSTVCTMCDAMVHT-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)c1ccccc1C)c1ccc(F)c(F)c1 ZINC000775725950 1049670733 /nfs/dbraw/zinc/67/07/33/1049670733.db2.gz XVOYDCDJTLRGPM-MOPGFXCFSA-N 1 0 317.379 4.214 20 30 DIEDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001196684093 1049680321 /nfs/dbraw/zinc/68/03/21/1049680321.db2.gz KTQSSRLUYPXQDK-UHFFFAOYSA-N 1 0 322.452 4.208 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000488621267 1049684732 /nfs/dbraw/zinc/68/47/32/1049684732.db2.gz YTZWMEWHQYAYOG-CYBMUJFWSA-N 1 0 300.352 4.420 20 30 DIEDRO CC[C@@H](c1ccc(Br)cc1)[N@H+](CC)C[C@@H](C)C#N ZINC000488646844 1049684840 /nfs/dbraw/zinc/68/48/40/1049684840.db2.gz YMYZFCDMNNRIIG-WFASDCNBSA-N 1 0 309.251 4.382 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccncc2Br)CCCC1 ZINC001205788124 1049690980 /nfs/dbraw/zinc/69/09/80/1049690980.db2.gz AELYGFSCKPJVCK-UHFFFAOYSA-N 1 0 309.251 4.070 20 30 DIEDRO C#CC(C)(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001182636101 1049692435 /nfs/dbraw/zinc/69/24/35/1049692435.db2.gz LMIQGZMFONCBLK-UHFFFAOYSA-N 1 0 312.457 4.049 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000488794594 1049695400 /nfs/dbraw/zinc/69/54/00/1049695400.db2.gz SOVXOMSMQQFHAE-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000488794595 1049696432 /nfs/dbraw/zinc/69/64/32/1049696432.db2.gz SOVXOMSMQQFHAE-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO CCc1cccc(Cl)c1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001206291879 1049702526 /nfs/dbraw/zinc/70/25/26/1049702526.db2.gz CRHAFTWLPGPXIM-UHFFFAOYSA-N 1 0 302.780 4.203 20 30 DIEDRO C=C[C@@H]1CCCCN1C(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC000488858885 1049706288 /nfs/dbraw/zinc/70/62/88/1049706288.db2.gz CWBMPUAMYWURSM-LJQANCHMSA-N 1 0 314.473 4.099 20 30 DIEDRO CC(C)C1(c2ccccc2)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001206320279 1049711570 /nfs/dbraw/zinc/71/15/70/1049711570.db2.gz IXRGRXANLQHSKS-UHFFFAOYSA-N 1 0 308.400 4.107 20 30 DIEDRO CCC(CC)(C[NH2+][C@@H](C)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC001206370938 1049722358 /nfs/dbraw/zinc/72/23/58/1049722358.db2.gz JNODVWHLJCAZSK-AWEZNQCLSA-N 1 0 310.482 4.052 20 30 DIEDRO CC(C)Cc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC001206376430 1049723486 /nfs/dbraw/zinc/72/34/86/1049723486.db2.gz GOBQZWPMYOKKKG-MRXNPFEDSA-N 1 0 307.441 4.345 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)cc1C#N ZINC001197193957 1049726712 /nfs/dbraw/zinc/72/67/12/1049726712.db2.gz HYRIONUJVHBKTH-NRFANRHFSA-N 1 0 319.452 4.153 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197219883 1049728791 /nfs/dbraw/zinc/72/87/91/1049728791.db2.gz CPARJUQOFKJFDA-HNAYVOBHSA-N 1 0 324.509 4.214 20 30 DIEDRO C=CCC[NH2+][C@@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C ZINC001197246177 1049731705 /nfs/dbraw/zinc/73/17/05/1049731705.db2.gz PJOKCGSTFWJXLU-MRXNPFEDSA-N 1 0 316.445 4.427 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001206421356 1049732874 /nfs/dbraw/zinc/73/28/74/1049732874.db2.gz ZNUFDBPIVFDCEE-JJXSEGSLSA-N 1 0 310.482 4.013 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC001197314841 1049736822 /nfs/dbraw/zinc/73/68/22/1049736822.db2.gz GCIDLSPDVOXBJL-KRWDZBQOSA-N 1 0 317.477 4.093 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC001206465051 1049738710 /nfs/dbraw/zinc/73/87/10/1049738710.db2.gz YCHHYNFZOANUDA-QGZVFWFLSA-N 1 0 321.420 4.333 20 30 DIEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000489403441 1049751646 /nfs/dbraw/zinc/75/16/46/1049751646.db2.gz LHJZKYRBDUBTOC-HXUWFJFHSA-N 1 0 320.436 4.479 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](Cc1ccccc1)c1nccn1C ZINC001206523929 1049752105 /nfs/dbraw/zinc/75/21/05/1049752105.db2.gz VXBKJSBYQPGZEZ-PKOBYXMFSA-N 1 0 311.473 4.428 20 30 DIEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000489470489 1049760596 /nfs/dbraw/zinc/76/05/96/1049760596.db2.gz FRYYMQAXQUNORK-IBGZPJMESA-N 1 0 308.425 4.201 20 30 DIEDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001206636446 1049773208 /nfs/dbraw/zinc/77/32/08/1049773208.db2.gz MQGMOEDJFUDJMJ-QGZVFWFLSA-N 1 0 306.453 4.447 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cccc(C(=O)OC)c2)CCCC1 ZINC001206655180 1049776425 /nfs/dbraw/zinc/77/64/25/1049776425.db2.gz GFNGRHALMSLMKH-UHFFFAOYSA-N 1 0 301.430 4.089 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c(Cl)c1 ZINC000489903067 1049787998 /nfs/dbraw/zinc/78/79/98/1049787998.db2.gz XWFTVEDVZTXHSS-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC001206781102 1049800018 /nfs/dbraw/zinc/80/00/18/1049800018.db2.gz XDARUZWMYWITGE-SJLPKXTDSA-N 1 0 306.494 4.035 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001206791292 1049800114 /nfs/dbraw/zinc/80/01/14/1049800114.db2.gz ZYPDMXNDKFRYGK-INIZCTEOSA-N 1 0 300.421 4.490 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC001206781100 1049800348 /nfs/dbraw/zinc/80/03/48/1049800348.db2.gz XDARUZWMYWITGE-FUHWJXTLSA-N 1 0 306.494 4.035 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+](C)C[C@@H]2CC2(C)C)cc1OC ZINC001206810487 1049805499 /nfs/dbraw/zinc/80/54/99/1049805499.db2.gz SISVOACWWGONBG-AWEZNQCLSA-N 1 0 323.864 4.391 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCC[C@@H]2F)CC1 ZINC001207057450 1049828673 /nfs/dbraw/zinc/82/86/73/1049828673.db2.gz GPFUCPFDTXGGGB-CXUOOODFSA-N 1 0 300.421 4.261 20 30 DIEDRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC001207110640 1049837451 /nfs/dbraw/zinc/83/74/51/1049837451.db2.gz POAPJKCKIPSORG-OAHLLOKOSA-N 1 0 303.409 4.243 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490550804 1049840828 /nfs/dbraw/zinc/84/08/28/1049840828.db2.gz XTGLUEDLYXGKBZ-UHFFFAOYSA-N 1 0 322.456 4.137 20 30 DIEDRO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001207244149 1049869416 /nfs/dbraw/zinc/86/94/16/1049869416.db2.gz YKILISZLQNHPFU-NHCUHLMSSA-N 1 0 304.437 4.026 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](CCC1CCCCC1)CCO2 ZINC001207260711 1049871199 /nfs/dbraw/zinc/87/11/99/1049871199.db2.gz WRZSWGQWKYCKGG-WOJBJXKFSA-N 1 0 321.505 4.031 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CCC1CCCCC1)C2 ZINC001207256743 1049871223 /nfs/dbraw/zinc/87/12/23/1049871223.db2.gz LRPJZDOARPIPJE-WOJBJXKFSA-N 1 0 321.505 4.031 20 30 DIEDRO N#Cc1ccc(CNc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC001207271887 1049872081 /nfs/dbraw/zinc/87/20/81/1049872081.db2.gz ZKTISDGXHYVJJM-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)cc1C#N ZINC001207311159 1049879300 /nfs/dbraw/zinc/87/93/00/1049879300.db2.gz AOVBWDCVUNGOQR-TZIWHRDSSA-N 1 0 320.436 4.167 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC001207348306 1049882352 /nfs/dbraw/zinc/88/23/52/1049882352.db2.gz LXJPZWULIIROCG-XHDPSFHLSA-N 1 0 321.262 4.354 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2ccccn2)cc1 ZINC000151447690 1049885229 /nfs/dbraw/zinc/88/52/29/1049885229.db2.gz PBNJUGYWYAHXMZ-HNNXBMFYSA-N 1 0 316.832 4.106 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC001207424320 1049890996 /nfs/dbraw/zinc/89/09/96/1049890996.db2.gz QMWOJPDPBLLZMT-ULQDDVLXSA-N 1 0 306.453 4.115 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C)c1ccc(OC)c(OC)c1 ZINC000586776234 1049894809 /nfs/dbraw/zinc/89/48/09/1049894809.db2.gz VYORZQUJQKOHNF-SFHVURJKSA-N 1 0 324.424 4.125 20 30 DIEDRO N#Cc1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1Cl ZINC000586779272 1049898539 /nfs/dbraw/zinc/89/85/39/1049898539.db2.gz UPPIUMVZDJTKKJ-OWOJBTEDSA-N 1 0 318.754 4.293 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC001207501480 1049898923 /nfs/dbraw/zinc/89/89/23/1049898923.db2.gz FSQWCTSMVZCLCH-HNNXBMFYSA-N 1 0 310.466 4.309 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC001207514961 1049901907 /nfs/dbraw/zinc/90/19/07/1049901907.db2.gz DSKHKPXOKQUUPG-UHFFFAOYSA-N 1 0 322.427 4.195 20 30 DIEDRO C=CCCCCCCCCCOC1CC[NH+](CCOC)CC1 ZINC001224915171 1049914609 /nfs/dbraw/zinc/91/46/09/1049914609.db2.gz CODHMINGMFYMIR-UHFFFAOYSA-N 1 0 311.510 4.421 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CCCC1CCCCC1)C2 ZINC001207608038 1049917243 /nfs/dbraw/zinc/91/72/43/1049917243.db2.gz MFRAOJMBXPSJRG-PMACEKPBSA-N 1 0 321.505 4.173 20 30 DIEDRO N#CCC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207632625 1049919577 /nfs/dbraw/zinc/91/95/77/1049919577.db2.gz QBMGBJVRTNXRLB-GVDBMIGSSA-N 1 0 300.833 4.268 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC001207735721 1049931733 /nfs/dbraw/zinc/93/17/33/1049931733.db2.gz OWBHJKNJYBAEBL-UHFFFAOYSA-N 1 0 318.852 4.017 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(Br)cc1F ZINC001207742307 1049932766 /nfs/dbraw/zinc/93/27/66/1049932766.db2.gz RYJWXIGCSTWULC-JTQLQIEISA-N 1 0 313.214 4.006 20 30 DIEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000571569293 1049937130 /nfs/dbraw/zinc/93/71/30/1049937130.db2.gz YKTHCLJIIADVTA-DOTOQJQBSA-N 1 0 316.445 4.141 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)CC1(C)COC1 ZINC001207800538 1049940580 /nfs/dbraw/zinc/94/05/80/1049940580.db2.gz UMCZJSOOEBVRIN-KRWDZBQOSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CC(N2CCOC(C)(C)C2)C1 ZINC001207898699 1049950059 /nfs/dbraw/zinc/95/00/59/1049950059.db2.gz CLCMIWLERLASKN-UHFFFAOYSA-N 1 0 322.537 4.088 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC001207894762 1049951310 /nfs/dbraw/zinc/95/13/10/1049951310.db2.gz WKMPWVSYMXFFTM-UTKZUKDTSA-N 1 0 320.436 4.300 20 30 DIEDRO C=CCCCCCCCCC[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC001207899553 1049951719 /nfs/dbraw/zinc/95/17/19/1049951719.db2.gz FSHUUGFUSOVDFQ-KRWDZBQOSA-N 1 0 305.466 4.474 20 30 DIEDRO C=CCCCCCCCCC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001207899599 1049952737 /nfs/dbraw/zinc/95/27/37/1049952737.db2.gz ICJHSVXIGWLNGK-OALUTQOASA-N 1 0 320.521 4.236 20 30 DIEDRO C[C@@H](C[NH+]1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC001207900127 1049953298 /nfs/dbraw/zinc/95/32/98/1049953298.db2.gz UZGPXDGRFHQNER-SFHVURJKSA-N 1 0 304.437 4.347 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC2(C[C@H]2C(=O)N(C)C)CC1 ZINC001208118018 1049973814 /nfs/dbraw/zinc/97/38/14/1049973814.db2.gz AXPOYIDDQHGVTL-ZGKFYVQTSA-N 1 0 320.521 4.093 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001208118437 1049975104 /nfs/dbraw/zinc/97/51/04/1049975104.db2.gz HAGANTKHZBMUBQ-CMDGGOBGSA-N 1 0 320.521 4.284 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001208118590 1049975742 /nfs/dbraw/zinc/97/57/42/1049975742.db2.gz LXIBJCIMLDGGIF-ZHACJKMWSA-N 1 0 308.510 4.127 20 30 DIEDRO CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000588231052 1049976803 /nfs/dbraw/zinc/97/68/03/1049976803.db2.gz YGYFGQPYBQOKML-NUJGCVRESA-N 1 0 300.446 4.249 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001208176608 1049980926 /nfs/dbraw/zinc/98/09/26/1049980926.db2.gz IISUEQZDPNSOHE-JOCHJYFZSA-N 1 0 324.512 4.149 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001208176204 1049981503 /nfs/dbraw/zinc/98/15/03/1049981503.db2.gz DEOUNGRDDQQOHX-CQSZACIVSA-N 1 0 315.379 4.132 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@H+](C)CCCC(=O)c2cccnc2)CC1 ZINC001208177478 1049981568 /nfs/dbraw/zinc/98/15/68/1049981568.db2.gz TWXJVGFAPMPNEK-GOSISDBHSA-N 1 0 312.457 4.279 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3ncc(Cl)cc3C2)CC1 ZINC001208178074 1049982244 /nfs/dbraw/zinc/98/22/44/1049982244.db2.gz JQIKLESOUMOGAS-OAHLLOKOSA-N 1 0 302.849 4.396 20 30 DIEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCCCC/C=C\CC)C2 ZINC001208191688 1049983417 /nfs/dbraw/zinc/98/34/17/1049983417.db2.gz WMBMNOLJXVJRDQ-XSXCZSQGSA-N 1 0 321.505 4.339 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CCCCC/C=C\CC)C2)C1=O ZINC001208192055 1049983818 /nfs/dbraw/zinc/98/38/18/1049983818.db2.gz YZDCHNSDELUROR-KKHYBRAUSA-N 1 0 318.505 4.014 20 30 DIEDRO N#C[C@@H]1CC[C@@H](S[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000572363093 1050001805 /nfs/dbraw/zinc/00/18/05/1050001805.db2.gz INLHMCOKDZZNOL-KURKYZTESA-N 1 0 300.471 4.076 20 30 DIEDRO N#Cc1ccc(C[NH+](CCC2CC2)Cc2ccc(C#N)cc2)cc1 ZINC001208686007 1050002692 /nfs/dbraw/zinc/00/26/92/1050002692.db2.gz GDIABTCXHAVVHS-UHFFFAOYSA-N 1 0 315.420 4.232 20 30 DIEDRO N#CC1(c2ccccc2F)CC[NH+](CCC2CCCC2)CC1 ZINC001208699341 1050003535 /nfs/dbraw/zinc/00/35/35/1050003535.db2.gz UQASFMUZSARDHD-UHFFFAOYSA-N 1 0 300.421 4.263 20 30 DIEDRO CC[C@@H](CCC(=O)OC)C[N@H+](CCC#N)C1CCCCCCC1 ZINC001208790047 1050010572 /nfs/dbraw/zinc/01/05/72/1050010572.db2.gz WGGOVYMQWZPNHK-KRWDZBQOSA-N 1 0 322.493 4.294 20 30 DIEDRO CC[C@H](C)Oc1cc(C[NH2+]CC(C)(C)CCC#N)ccc1OC ZINC000588929602 1050012685 /nfs/dbraw/zinc/01/26/85/1050012685.db2.gz ZIMXCPYYHARWHW-HNNXBMFYSA-N 1 0 318.461 4.292 20 30 DIEDRO CCCC[N@@H+](CCC#N)CCCc1cccc(Br)c1 ZINC001208826042 1050012891 /nfs/dbraw/zinc/01/28/91/1050012891.db2.gz UTGXYNWPKGBYFH-UHFFFAOYSA-N 1 0 323.278 4.397 20 30 DIEDRO CC1(C#N)CC[NH+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001208831320 1050013954 /nfs/dbraw/zinc/01/39/54/1050013954.db2.gz LTPIKCMYQPLSIQ-UHFFFAOYSA-N 1 0 310.363 4.264 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000588972401 1050015525 /nfs/dbraw/zinc/01/55/25/1050015525.db2.gz GJYFMHCTRCUJGA-FQEVSTJZSA-N 1 0 308.425 4.458 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)(C)C)cc1 ZINC000588985128 1050016624 /nfs/dbraw/zinc/01/66/24/1050016624.db2.gz MJSDYUSJYVATAX-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC001208857458 1050017025 /nfs/dbraw/zinc/01/70/25/1050017025.db2.gz FLYRGXMTRUHUQQ-NRFANRHFSA-N 1 0 320.436 4.034 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208859100 1050017217 /nfs/dbraw/zinc/01/72/17/1050017217.db2.gz RGPGSKWBJBMKNU-FQEVSTJZSA-N 1 0 320.436 4.337 20 30 DIEDRO C[N@H+](CCCc1cccc(C#N)c1)C12CC3CC(CC(C3)C1)C2 ZINC001208852368 1050017259 /nfs/dbraw/zinc/01/72/59/1050017259.db2.gz ICICZXMAPKRDHN-UHFFFAOYSA-N 1 0 308.469 4.391 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCc2cccc(C#N)c2)cc1 ZINC001208851873 1050017448 /nfs/dbraw/zinc/01/74/48/1050017448.db2.gz FMKJPZDCSCYBTA-NRFANRHFSA-N 1 0 320.436 4.337 20 30 DIEDRO N#Cc1cccc(CCC[NH+]2CCC(c3cccs3)CC2)c1 ZINC001208853689 1050017576 /nfs/dbraw/zinc/01/75/76/1050017576.db2.gz RYFOWTKPJJSWPO-UHFFFAOYSA-N 1 0 310.466 4.432 20 30 DIEDRO N#Cc1cccc(CCC[NH+]2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001208851222 1050017672 /nfs/dbraw/zinc/01/76/72/1050017672.db2.gz ULQPKIAKBYROFC-SFHVURJKSA-N 1 0 300.421 4.095 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208859105 1050017790 /nfs/dbraw/zinc/01/77/90/1050017790.db2.gz RGPGSKWBJBMKNU-HXUWFJFHSA-N 1 0 320.436 4.337 20 30 DIEDRO N#Cc1cccc(CCC[NH+]2CCC(c3ccccc3)CC2)c1 ZINC001208852202 1050017888 /nfs/dbraw/zinc/01/78/88/1050017888.db2.gz WHWVJJPOGWDWMS-UHFFFAOYSA-N 1 0 304.437 4.370 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCc2ccc(C#N)cc2)cn1 ZINC001208862260 1050018444 /nfs/dbraw/zinc/01/84/44/1050018444.db2.gz FZCMWSQUGFLVSW-FQEVSTJZSA-N 1 0 305.425 4.031 20 30 DIEDRO N#Cc1ccc(CC[NH+]2CCC3(CCc4ccccc43)CC2)cc1 ZINC001208925797 1050023187 /nfs/dbraw/zinc/02/31/87/1050023187.db2.gz SINQJOFBZCGAPU-UHFFFAOYSA-N 1 0 316.448 4.081 20 30 DIEDRO COC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000589160119 1050023281 /nfs/dbraw/zinc/02/32/81/1050023281.db2.gz UDDVGKHWFFKJBB-KKSFZXQISA-N 1 0 320.436 4.083 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC001208928305 1050023227 /nfs/dbraw/zinc/02/32/27/1050023227.db2.gz ASPMNCXAHQZVJX-IBGZPJMESA-N 1 0 312.363 4.216 20 30 DIEDRO COC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000589160115 1050023414 /nfs/dbraw/zinc/02/34/14/1050023414.db2.gz UDDVGKHWFFKJBB-IERDGZPVSA-N 1 0 320.436 4.083 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CSCc3ccccc31)CC2 ZINC000589336721 1050027615 /nfs/dbraw/zinc/02/76/15/1050027615.db2.gz HUETYQNAMJJSOJ-MOPGFXCFSA-N 1 0 306.434 4.123 20 30 DIEDRO C[N@H+](CCc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC001209119685 1050037329 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C=CCCCC[N@@H+](CCC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209208422 1050044449 /nfs/dbraw/zinc/04/44/49/1050044449.db2.gz UNFVDNXOIUDGHP-KRWDZBQOSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001209207914 1050044658 /nfs/dbraw/zinc/04/46/58/1050044658.db2.gz HSPCKEMYMIKNND-MRXNPFEDSA-N 1 0 313.363 4.435 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2cccs2)cc1Cl ZINC000589635322 1050051260 /nfs/dbraw/zinc/05/12/60/1050051260.db2.gz RGEINZYBIGPMNS-UHFFFAOYSA-N 1 0 307.846 4.299 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CC3Cc4ccccc4C3)CC2)cc1 ZINC001209322724 1050052626 /nfs/dbraw/zinc/05/26/26/1050052626.db2.gz WIBXTGFUALPZKD-UHFFFAOYSA-N 1 0 316.448 4.153 20 30 DIEDRO C=CCCCCC[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001209423709 1050057299 /nfs/dbraw/zinc/05/72/99/1050057299.db2.gz XVRNZQIGXLUPIY-UHFFFAOYSA-N 1 0 300.368 4.321 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001209423600 1050057549 /nfs/dbraw/zinc/05/75/49/1050057549.db2.gz 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C=CCC[N@@H+](Cc1c(C)[nH]c2ncccc12)Cc1ccccc1 ZINC001209588092 1050070138 /nfs/dbraw/zinc/07/01/38/1050070138.db2.gz NODFQIQJTWDHNZ-UHFFFAOYSA-N 1 0 305.425 4.450 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)Cc2ccccc2O1 ZINC000590025124 1050072235 /nfs/dbraw/zinc/07/22/35/1050072235.db2.gz KMROITYTOFZXAZ-INIZCTEOSA-N 1 0 320.436 4.271 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001209676702 1050075769 /nfs/dbraw/zinc/07/57/69/1050075769.db2.gz ZZTKVFXEJGEBGN-UHFFFAOYSA-N 1 0 316.489 4.325 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000590067204 1050076447 /nfs/dbraw/zinc/07/64/47/1050076447.db2.gz BMBBYDIHAHHMQW-ZFOVBUMHSA-N 1 0 320.436 4.459 20 30 DIEDRO C#CC[N@@H+](Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCc2ccccc21 ZINC001209692582 1050077195 /nfs/dbraw/zinc/07/71/95/1050077195.db2.gz QJJCZLNZARXGMJ-OAQYLSRUSA-N 1 0 318.395 4.430 20 30 DIEDRO CC(C)c1ccc(OC2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000590154265 1050079651 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N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC(OC(F)F)CC1 ZINC000590780144 1050106904 /nfs/dbraw/zinc/10/69/04/1050106904.db2.gz NYGWNTRFSHTJOU-VMBOVVBDSA-N 1 0 320.383 4.076 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC000573015957 1050116529 /nfs/dbraw/zinc/11/65/29/1050116529.db2.gz CTRDCCAJVWOWKU-CYBMUJFWSA-N 1 0 319.861 4.262 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)[C@@H]1C[C@H]1c1cccs1 ZINC000591348122 1050141832 /nfs/dbraw/zinc/14/18/32/1050141832.db2.gz SDTUHYIPPTWJOJ-DUOKCRBOSA-N 1 0 308.450 4.389 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc2c(s1)CCCC2 ZINC000591357475 1050141936 /nfs/dbraw/zinc/14/19/36/1050141936.db2.gz CETNMNRWMVOPNK-MRXNPFEDSA-N 1 0 323.465 4.061 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2c(C)noc2C)c(O)c1 ZINC000733750028 1050151806 /nfs/dbraw/zinc/15/18/06/1050151806.db2.gz JTGWKEJYLYOKBD-ZDFPAGSVSA-N 1 0 315.417 4.023 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2c(C)noc2C)c(O)c1 ZINC000733750027 1050152028 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N#Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171038340 1050175923 /nfs/dbraw/zinc/17/59/23/1050175923.db2.gz WCAYORASVAIUPM-GOSISDBHSA-N 1 0 322.839 4.127 20 30 DIEDRO CC[NH+]1CCC(OCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC001210247372 1050179536 /nfs/dbraw/zinc/17/95/36/1050179536.db2.gz UEVGKGQFRYDWPX-UHFFFAOYSA-N 1 0 320.436 4.226 20 30 DIEDRO C#CCCC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000770685809 1050184434 /nfs/dbraw/zinc/18/44/34/1050184434.db2.gz AJIQHDXFUQWTHH-HNNXBMFYSA-N 1 0 313.388 4.209 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171046258 1050184436 /nfs/dbraw/zinc/18/44/36/1050184436.db2.gz YBBRHEFCOQNRJS-QGZVFWFLSA-N 1 0 310.828 4.201 20 30 DIEDRO C[N@H+](Cc1cc2c(cccc2Cl)[nH]1)Cc1ccc(C#N)cc1 ZINC001136861210 1050200421 /nfs/dbraw/zinc/20/04/21/1050200421.db2.gz SJBMNFAEPFXASV-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccnc(Cl)c1F)c1ccccc1 ZINC000824432789 1050208926 /nfs/dbraw/zinc/20/89/26/1050208926.db2.gz CEYUKNLHTASEAG-HNNXBMFYSA-N 1 0 317.795 4.399 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2coc3ccccc23)cc1 ZINC000734004016 1050212194 /nfs/dbraw/zinc/21/21/94/1050212194.db2.gz HTMNPMILTSNTAY-UHFFFAOYSA-N 1 0 319.408 4.072 20 30 DIEDRO C=CCC[N@@H+](Cc1cnc2cc(C)ccn12)Cc1ccccc1 ZINC001136890346 1050219006 /nfs/dbraw/zinc/21/90/06/1050219006.db2.gz YQZAQZOJYHPRMH-UHFFFAOYSA-N 1 0 305.425 4.221 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccnc(C#N)c1)C1CCCC1 ZINC000591848900 1050231649 /nfs/dbraw/zinc/23/16/49/1050231649.db2.gz PMRMDYOWHVEKAP-INIZCTEOSA-N 1 0 305.425 4.459 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000734159666 1050232117 /nfs/dbraw/zinc/23/21/17/1050232117.db2.gz UWQBYCVCQUWJAA-UHFFFAOYSA-N 1 0 320.219 4.295 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000734158389 1050233140 /nfs/dbraw/zinc/23/31/40/1050233140.db2.gz HJVJINVXFBBBFD-ZDUSSCGKSA-N 1 0 317.791 4.342 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824955784 1050260237 /nfs/dbraw/zinc/26/02/37/1050260237.db2.gz ZFDAAXOTAQMXKN-YTQUADARSA-N 1 0 302.462 4.416 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592068093 1050268946 /nfs/dbraw/zinc/26/89/46/1050268946.db2.gz AOIHXOBYQDYQLS-VQTJNVASSA-N 1 0 305.425 4.111 20 30 DIEDRO C[N@H+](Cc1ccncc1C#N)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000592125206 1050271431 /nfs/dbraw/zinc/27/14/31/1050271431.db2.gz UXDMYEBFKXTHBW-VQTJNVASSA-N 1 0 305.425 4.111 20 30 DIEDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000592153488 1050272570 /nfs/dbraw/zinc/27/25/70/1050272570.db2.gz FCVJDQAHOUHCSD-MSOLQXFVSA-N 1 0 318.505 4.235 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccncc1C#N)C1CCCC1 ZINC000592121144 1050272665 /nfs/dbraw/zinc/27/26/65/1050272665.db2.gz FSMITXNTTAXHKP-MRXNPFEDSA-N 1 0 305.425 4.459 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC2(CCCC2)O1 ZINC000592193712 1050276196 /nfs/dbraw/zinc/27/61/96/1050276196.db2.gz MXJFTNNKRJNCDP-INIZCTEOSA-N 1 0 312.457 4.021 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000734487370 1050276801 /nfs/dbraw/zinc/27/68/01/1050276801.db2.gz RATMYMKXXZVOPG-FXAWDEMLSA-N 1 0 320.436 4.205 20 30 DIEDRO N#CC1CC[NH+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171074469 1050280103 /nfs/dbraw/zinc/28/01/03/1050280103.db2.gz RDPLSBGEEDPMHN-AWEZNQCLSA-N 1 0 309.240 4.086 20 30 DIEDRO Cc1ccccc1C1([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000592372538 1050290598 /nfs/dbraw/zinc/29/05/98/1050290598.db2.gz ITSBPHOSUFTMRZ-UHFFFAOYSA-N 1 0 320.436 4.457 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000825261625 1050290747 /nfs/dbraw/zinc/29/07/47/1050290747.db2.gz ANXAMUXNBGBDHV-PMPSAXMXSA-N 1 0 310.482 4.014 20 30 DIEDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000592370560 1050290811 /nfs/dbraw/zinc/29/08/11/1050290811.db2.gz QVWJPLYTCUSQCO-UHFFFAOYSA-N 1 0 308.425 4.077 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CSc2ccccc2O1)c1ccc(C#N)cc1 ZINC000592392553 1050291811 /nfs/dbraw/zinc/29/18/11/1050291811.db2.gz KUGLUBLWFNPURY-PBHICJAKSA-N 1 0 324.449 4.152 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(COc3ccc(F)cc3)cc2)C1 ZINC000592395269 1050291922 /nfs/dbraw/zinc/29/19/22/1050291922.db2.gz VJTIPCDJGMNBBA-IEBWSBKVSA-N 1 0 324.399 4.187 20 30 DIEDRO N#CCC1CC[NH+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171082191 1050294992 /nfs/dbraw/zinc/29/49/92/1050294992.db2.gz IDYXCUGIQBQLHR-HNNXBMFYSA-N 1 0 323.267 4.476 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(c3ccccc3Cl)CC1)CC2 ZINC000592391803 1050296098 /nfs/dbraw/zinc/29/60/98/1050296098.db2.gz LHKSIDDVKOFQJU-GOSISDBHSA-N 1 0 308.812 4.478 20 30 DIEDRO COc1cc(C[NH2+]C2(c3ccc(C)cc3)CCC2)ccc1C#N ZINC000592381026 1050296691 /nfs/dbraw/zinc/29/66/91/1050296691.db2.gz ZSFXUGMSVVKOLB-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000592391638 1050297408 /nfs/dbraw/zinc/29/74/08/1050297408.db2.gz RXRFRRWJQSPZOU-KRWDZBQOSA-N 1 0 312.413 4.218 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(c3ccccc3Cl)CC1)CC2 ZINC000592391806 1050297763 /nfs/dbraw/zinc/29/77/63/1050297763.db2.gz LHKSIDDVKOFQJU-SFHVURJKSA-N 1 0 308.812 4.478 20 30 DIEDRO SC1CC[NH+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171085356 1050297946 /nfs/dbraw/zinc/29/79/46/1050297946.db2.gz HGBVZYJDJRRPCV-GFCCVEGCSA-N 1 0 316.297 4.245 20 30 DIEDRO C[C@@H]([NH2+]Cc1cscc1Cl)c1ccc(OCC#N)cc1 ZINC000771944644 1050302790 /nfs/dbraw/zinc/30/27/90/1050302790.db2.gz BBODLOHFTFBMJS-LLVKDONJSA-N 1 0 306.818 4.155 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000735086844 1050344158 /nfs/dbraw/zinc/34/41/58/1050344158.db2.gz STQXTJRZTFFTGV-CQSZACIVSA-N 1 0 317.864 4.256 20 30 DIEDRO N#Cc1cc(Cl)ccc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210713212 1050344515 /nfs/dbraw/zinc/34/45/15/1050344515.db2.gz CZCAHSSWDNPDLT-MRXNPFEDSA-N 1 0 301.821 4.156 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2cccs2)cc1 ZINC000735085966 1050345877 /nfs/dbraw/zinc/34/58/77/1050345877.db2.gz LFGNFERCNDMEKJ-ZDUSSCGKSA-N 1 0 300.427 4.064 20 30 DIEDRO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001143731424 1050347464 /nfs/dbraw/zinc/34/74/64/1050347464.db2.gz WGPAJUWKRDCTEB-GASCZTMLSA-N 1 0 308.812 4.298 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@H](SC)C2)c(O)c1 ZINC000735228898 1050356083 /nfs/dbraw/zinc/35/60/83/1050356083.db2.gz KQHNTVUHLBFGLL-PXVYJFOMSA-N 1 0 320.502 4.332 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4cc(Cl)ccc4C3)CC2)cc1 ZINC001171105335 1050356723 /nfs/dbraw/zinc/35/67/23/1050356723.db2.gz SKEINADYLDOOEP-LJQANCHMSA-N 1 0 322.839 4.348 20 30 DIEDRO C[NH+]1CCC(COc2ccc(Nc3ccccc3C#N)cc2)CC1 ZINC001210742291 1050356885 /nfs/dbraw/zinc/35/68/85/1050356885.db2.gz OVRPDDWTOKTFOQ-UHFFFAOYSA-N 1 0 321.424 4.022 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+](C)C)c(F)c2)cc1C1(C#N)CC1 ZINC000592987064 1050359202 /nfs/dbraw/zinc/35/92/02/1050359202.db2.gz OORSWXJXDYAUIG-UHFFFAOYSA-N 1 0 324.399 4.118 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000592367525 1050363066 /nfs/dbraw/zinc/36/30/66/1050363066.db2.gz RBVSJSPQGFVALI-SIFCLUCFSA-N 1 0 306.409 4.053 20 30 DIEDRO CSC1(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCC1 ZINC000574089442 1050371142 /nfs/dbraw/zinc/37/11/42/1050371142.db2.gz GCJJZZVPYHZSJE-DLBZAZTESA-N 1 0 300.471 4.044 20 30 DIEDRO CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735311679 1050373611 /nfs/dbraw/zinc/37/36/11/1050373611.db2.gz UCPCDXOFEXNMMD-CQSZACIVSA-N 1 0 306.837 4.254 20 30 DIEDRO CCC1(C)CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309333 1050373870 /nfs/dbraw/zinc/37/38/70/1050373870.db2.gz CZGRUFKSYHXULM-UHFFFAOYSA-N 1 0 306.837 4.254 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000785539809 1050387543 /nfs/dbraw/zinc/38/75/43/1050387543.db2.gz BTXIJNMOVNOQDV-UHFFFAOYSA-N 1 0 322.305 4.314 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccsc1 ZINC000785567715 1050394792 /nfs/dbraw/zinc/39/47/92/1050394792.db2.gz OIOSLIJFBUXQOJ-INIZCTEOSA-N 1 0 300.427 4.259 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171116309 1050396812 /nfs/dbraw/zinc/39/68/12/1050396812.db2.gz NDURQQPHFWIBAD-HXUWFJFHSA-N 1 0 322.839 4.127 20 30 DIEDRO C=CCCCCC[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000785686101 1050402817 /nfs/dbraw/zinc/40/28/17/1050402817.db2.gz ITVXHIUDBVIOFL-UHFFFAOYSA-N 1 0 310.482 4.064 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000785781941 1050412691 /nfs/dbraw/zinc/41/26/91/1050412691.db2.gz PTCGKBBSQXFWPY-INIZCTEOSA-N 1 0 300.446 4.210 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)CCC ZINC000058790905 1050422291 /nfs/dbraw/zinc/42/22/91/1050422291.db2.gz VXBHPLMEHNNDAO-CQSZACIVSA-N 1 0 306.475 4.024 20 30 DIEDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593654978 1050431755 /nfs/dbraw/zinc/43/17/55/1050431755.db2.gz TYDJLNOMXKQGKF-KGLIPLIRSA-N 1 0 313.470 4.462 20 30 DIEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000593654981 1050432054 /nfs/dbraw/zinc/43/20/54/1050432054.db2.gz TYDJLNOMXKQGKF-ZIAGYGMSSA-N 1 0 313.470 4.462 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000593673767 1050435030 /nfs/dbraw/zinc/43/50/30/1050435030.db2.gz JPYYCJCGZXRSKN-OAHLLOKOSA-N 1 0 304.409 4.347 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000593673766 1050435041 /nfs/dbraw/zinc/43/50/41/1050435041.db2.gz JPYYCJCGZXRSKN-HNNXBMFYSA-N 1 0 304.409 4.347 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000593719897 1050436381 /nfs/dbraw/zinc/43/63/81/1050436381.db2.gz IZGOMKMHAFRNDA-SWLSCSKDSA-N 1 0 308.347 4.366 20 30 DIEDRO CC#CCC[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000785964773 1050437921 /nfs/dbraw/zinc/43/79/21/1050437921.db2.gz LVPRNTREGVEUBA-UHFFFAOYSA-N 1 0 319.448 4.050 20 30 DIEDRO C=C(Cl)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000735925325 1050439583 /nfs/dbraw/zinc/43/95/83/1050439583.db2.gz CFBKTXSLVPXJEA-UHFFFAOYSA-N 1 0 308.790 4.165 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000785998449 1050441894 /nfs/dbraw/zinc/44/18/94/1050441894.db2.gz FHDIJMFHZCKHOP-OAHLLOKOSA-N 1 0 304.459 4.001 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC000785997736 1050443040 /nfs/dbraw/zinc/44/30/40/1050443040.db2.gz RIKTVYJMPBUUGF-OAHLLOKOSA-N 1 0 304.459 4.001 20 30 DIEDRO CSc1ccccc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001211062869 1050462293 /nfs/dbraw/zinc/46/22/93/1050462293.db2.gz FZBPYIOLUDWLCH-UHFFFAOYSA-N 1 0 315.467 4.073 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCCC#N)cc1 ZINC000593964373 1050464318 /nfs/dbraw/zinc/46/43/18/1050464318.db2.gz GJHCHEOMNCWLJI-MRXNPFEDSA-N 1 0 313.445 4.083 20 30 DIEDRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000593973929 1050465270 /nfs/dbraw/zinc/46/52/70/1050465270.db2.gz XEOIBPITLZKRJF-UGSOOPFHSA-N 1 0 313.832 4.484 20 30 DIEDRO CCc1csc(CC2CC[NH+](CCCC(C)(C)C#N)CC2)n1 ZINC000594020147 1050468152 /nfs/dbraw/zinc/46/81/52/1050468152.db2.gz VWPRAAWGKUTBJP-UHFFFAOYSA-N 1 0 319.518 4.290 20 30 DIEDRO C(#Cc1ccccc1)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000736355411 1050468940 /nfs/dbraw/zinc/46/89/40/1050468940.db2.gz KOALVCSOEYTHGC-UHFFFAOYSA-N 1 0 305.421 4.149 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1CN(Cc2ccccc2)C1 ZINC000716254426 1050470489 /nfs/dbraw/zinc/47/04/89/1050470489.db2.gz QPFMBIAYKWIIHQ-SFHVURJKSA-N 1 0 302.506 4.457 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000594053019 1050472926 /nfs/dbraw/zinc/47/29/26/1050472926.db2.gz HGVFRNXUYPWDBJ-UHFFFAOYSA-N 1 0 320.436 4.455 20 30 DIEDRO C#CCCC[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000766220762 1050493222 /nfs/dbraw/zinc/49/32/22/1050493222.db2.gz CCFQZEZBTPCXRC-VXGBXAGGSA-N 1 0 300.229 4.152 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCCc2c[nH]c3ccccc23)c1 ZINC000594053023 1050473461 /nfs/dbraw/zinc/47/34/61/1050473461.db2.gz ICOFCDJXTSXMHY-UHFFFAOYSA-N 1 0 320.436 4.455 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C)cc1 ZINC000783328447 1050484831 /nfs/dbraw/zinc/48/48/31/1050484831.db2.gz BEVCTGQXIOHOOL-XJKSGUPXSA-N 1 0 313.363 4.326 20 30 DIEDRO CC(=[NH+]OCc1cccnc1)c1ccc(N2CCCCC2)cc1 ZINC000746586947 1050485420 /nfs/dbraw/zinc/48/54/20/1050485420.db2.gz ABAGLWYIBYQNML-UHFFFAOYSA-N 1 0 309.413 4.013 20 30 DIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000786446412 1050487089 /nfs/dbraw/zinc/48/70/89/1050487089.db2.gz XGDHALLXSSLXCJ-HNNXBMFYSA-N 1 0 320.392 4.424 20 30 DIEDRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1ccc(C#N)cn1 ZINC001144166464 1050488241 /nfs/dbraw/zinc/48/82/41/1050488241.db2.gz HGDFTYCFPPNLKQ-OAHLLOKOSA-N 1 0 301.393 4.299 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccccc2-c2ccc(C#N)cn2)c1 ZINC001211142540 1050493502 /nfs/dbraw/zinc/49/35/02/1050493502.db2.gz ZCPUTMHEXQYDBV-UHFFFAOYSA-N 1 0 314.392 4.083 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000766224993 1050504223 /nfs/dbraw/zinc/50/42/23/1050504223.db2.gz XMURARSCKYGXGV-LBPRGKRZSA-N 1 0 301.377 4.405 20 30 DIEDRO CC(C)c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c(C(C)C)c1 ZINC000594428448 1050510708 /nfs/dbraw/zinc/51/07/08/1050510708.db2.gz MDFDYGUWZWEHRF-KRWDZBQOSA-N 1 0 315.461 4.283 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000594495887 1050518920 /nfs/dbraw/zinc/51/89/20/1050518920.db2.gz DWDFOPSFOQSSHJ-IBGZPJMESA-N 1 0 308.400 4.404 20 30 DIEDRO C#CCOc1ccccc1CNc1ccc(C[NH+](CC)CC)cc1 ZINC000786828431 1050520512 /nfs/dbraw/zinc/52/05/12/1050520512.db2.gz YDXVTEFQUDAVQW-UHFFFAOYSA-N 1 0 322.452 4.153 20 30 DIEDRO C[C@H]1CC(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000594506909 1050520698 /nfs/dbraw/zinc/52/06/98/1050520698.db2.gz YNYRQYVCCJUROE-HOTGVXAUSA-N 1 0 314.473 4.171 20 30 DIEDRO COc1cccc(C[C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594502350 1050520898 /nfs/dbraw/zinc/52/08/98/1050520898.db2.gz NKIYQBTXQIBFLO-INIZCTEOSA-N 1 0 322.452 4.217 20 30 DIEDRO Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H]1CCc3cc(C#N)ccc31)CC2 ZINC000594500308 1050520945 /nfs/dbraw/zinc/52/09/45/1050520945.db2.gz MUPYUDGCKSQBAO-WOJBJXKFSA-N 1 0 302.421 4.440 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1 ZINC000594502492 1050521414 /nfs/dbraw/zinc/52/14/14/1050521414.db2.gz IZDOOALSWHYIQJ-UHFFFAOYSA-N 1 0 303.409 4.259 20 30 DIEDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594500979 1050522183 /nfs/dbraw/zinc/52/21/83/1050522183.db2.gz PFWUHFUYPODPHI-ZWKOTPCHSA-N 1 0 314.473 4.171 20 30 DIEDRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@H](C#N)C3)s2)cc1C ZINC000594507510 1050523537 /nfs/dbraw/zinc/52/35/37/1050523537.db2.gz FUNIHMZCDUFBQX-GOEBONIOSA-N 1 0 311.454 4.209 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCNc2ccccc2)cc1 ZINC000594511346 1050525177 /nfs/dbraw/zinc/52/51/77/1050525177.db2.gz GXZFYQYHTYWMEW-UHFFFAOYSA-N 1 0 307.441 4.080 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+]C1(c3ccc(C#N)cc3)CCC1)CC2 ZINC000594512108 1050526794 /nfs/dbraw/zinc/52/67/94/1050526794.db2.gz BSMMVUSRGKSMMC-FQEVSTJZSA-N 1 0 318.420 4.223 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4c3c(F)ccc4F)CCC2)cc1 ZINC000594518927 1050528573 /nfs/dbraw/zinc/52/85/73/1050528573.db2.gz RDKLYCKLGIRIIB-SFHVURJKSA-N 1 0 324.374 4.493 20 30 DIEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594518175 1050528840 /nfs/dbraw/zinc/52/88/40/1050528840.db2.gz MVHHYJPXOCLAIO-UZLBHIALSA-N 1 0 320.436 4.303 20 30 DIEDRO Cc1c([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cnn1C(C)C ZINC000594517707 1050528897 /nfs/dbraw/zinc/52/88/97/1050528897.db2.gz MAQDAMDZLMSKFW-HNNXBMFYSA-N 1 0 322.456 4.374 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517580 1050529016 /nfs/dbraw/zinc/52/90/16/1050529016.db2.gz ZHFZRFQSIUKTEN-HNNXBMFYSA-N 1 0 306.409 4.297 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(C#N)c(F)c1 ZINC000594517611 1050529415 /nfs/dbraw/zinc/52/94/15/1050529415.db2.gz KQCSGDBJXTYHGX-AWEZNQCLSA-N 1 0 319.383 4.299 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCCc4c(O)cccc43)CCC2)cc1 ZINC000594519185 1050529505 /nfs/dbraw/zinc/52/95/05/1050529505.db2.gz VEZHHKZYRGTMQI-IBGZPJMESA-N 1 0 318.420 4.310 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccncc1 ZINC000738430061 1050534983 /nfs/dbraw/zinc/53/49/83/1050534983.db2.gz GDCBTHYWGAYCBJ-SFHVURJKSA-N 1 0 308.425 4.202 20 30 DIEDRO CCCCCCCC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738516274 1050536777 /nfs/dbraw/zinc/53/67/77/1050536777.db2.gz OJIQPNANUGIBIT-UHFFFAOYSA-N 1 0 304.478 4.067 20 30 DIEDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607725 1050541309 /nfs/dbraw/zinc/54/13/09/1050541309.db2.gz YOSWGCRRBCMXIW-UHFFFAOYSA-N 1 0 321.468 4.337 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000787034118 1050542281 /nfs/dbraw/zinc/54/22/81/1050542281.db2.gz JCRFBWXHBUXGPZ-YCPHGPKFSA-N 1 0 308.347 4.256 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171160951 1050543720 /nfs/dbraw/zinc/54/37/20/1050543720.db2.gz CRRBAPZEYHGJKO-WFASDCNBSA-N 1 0 323.267 4.476 20 30 DIEDRO C#CC[N@H+](Cc1ccc2cnccc2c1)[C@@H]1CCc2ccccc21 ZINC000787039430 1050543791 /nfs/dbraw/zinc/54/37/91/1050543791.db2.gz JAQNJARBEVHPNQ-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171160949 1050544405 /nfs/dbraw/zinc/54/44/05/1050544405.db2.gz CRRBAPZEYHGJKO-SWLSCSKDSA-N 1 0 323.267 4.476 20 30 DIEDRO N#CCC1(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000594911933 1050560963 /nfs/dbraw/zinc/56/09/63/1050560963.db2.gz MDXQKVOXJIPLNW-QGZVFWFLSA-N 1 0 300.471 4.078 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1F ZINC000594920671 1050562326 /nfs/dbraw/zinc/56/23/26/1050562326.db2.gz GYHOCPSWSLNCOY-ZDUSSCGKSA-N 1 0 312.363 4.371 20 30 DIEDRO Cc1cnc([C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C2CC2)s1 ZINC000594929567 1050565331 /nfs/dbraw/zinc/56/53/31/1050565331.db2.gz KOXSKRKXCWVMRT-QGZVFWFLSA-N 1 0 323.465 4.248 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)ccc(Cl)c1F ZINC001171177880 1050565337 /nfs/dbraw/zinc/56/53/37/1050565337.db2.gz BMXSPYQIVKUBAW-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3cc4ccccc4o3)cc2)CC1 ZINC000594926837 1050565520 /nfs/dbraw/zinc/56/55/20/1050565520.db2.gz VQIQKJQPLQCHLB-UHFFFAOYSA-N 1 0 302.377 4.278 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)ccc(Cl)c1F ZINC001171177877 1050565912 /nfs/dbraw/zinc/56/59/12/1050565912.db2.gz BMXSPYQIVKUBAW-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924710 1050566314 /nfs/dbraw/zinc/56/63/14/1050566314.db2.gz KZEDASDGPMBYDN-UHFFFAOYSA-N 1 0 320.436 4.275 20 30 DIEDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594927231 1050566738 /nfs/dbraw/zinc/56/67/38/1050566738.db2.gz ZYYKYAOQWVDQFR-HNNXBMFYSA-N 1 0 306.409 4.101 20 30 DIEDRO Cc1c(CC[NH3+])c2ccccc2n1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171177906 1050567181 /nfs/dbraw/zinc/56/71/81/1050567181.db2.gz BQAUZPIOQCXHJM-HNNXBMFYSA-N 1 0 317.436 4.126 20 30 DIEDRO Cc1cc(C)cc(OC[C@@H](C)[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171179528 1050569787 /nfs/dbraw/zinc/56/97/87/1050569787.db2.gz SVVNJJBTPPFBKS-ZWKOTPCHSA-N 1 0 322.452 4.163 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(Cl)c1F ZINC001171178960 1050572845 /nfs/dbraw/zinc/57/28/45/1050572845.db2.gz MPRLBQWOSNIJHV-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO CSCC1(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594975745 1050572927 /nfs/dbraw/zinc/57/29/27/1050572927.db2.gz TVVFVRBQNMSLLO-UHFFFAOYSA-N 1 0 302.487 4.111 20 30 DIEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000594970238 1050573597 /nfs/dbraw/zinc/57/35/97/1050573597.db2.gz WAOFWKDIPXIQHO-HNNXBMFYSA-N 1 0 318.461 4.292 20 30 DIEDRO [NH2+]=C(Nc1ccc(CS)cc1)c1ccc2cc(O)ccc2c1 ZINC001171181810 1050575160 /nfs/dbraw/zinc/57/51/60/1050575160.db2.gz CITTVJZYCMALDU-UHFFFAOYSA-N 1 0 308.406 4.012 20 30 DIEDRO Cc1c[nH]c2c1cccc2NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171181807 1050575423 /nfs/dbraw/zinc/57/54/23/1050575423.db2.gz CHDXSCNTOQCTRI-UHFFFAOYSA-N 1 0 315.376 4.372 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001171181285 1050575465 /nfs/dbraw/zinc/57/54/65/1050575465.db2.gz JEMAVRHELQMDJR-JQRITLKVSA-N 1 0 310.363 4.200 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171179266 1050575995 /nfs/dbraw/zinc/57/59/95/1050575995.db2.gz QBFGOCXFJHGBBP-GJZGRUSLSA-N 1 0 303.409 4.336 20 30 DIEDRO CCCOc1ccc(C[NH2+]CC2CCC(C#N)CC2)c(C)c1 ZINC000594937584 1050576575 /nfs/dbraw/zinc/57/65/75/1050576575.db2.gz RAHNVFAVGVPXTJ-UHFFFAOYSA-N 1 0 300.446 4.203 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCCc3ccccc3F)cc2)CC1 ZINC000594939015 1050576785 /nfs/dbraw/zinc/57/67/85/1050576785.db2.gz YYKJRXSLJYEARZ-UHFFFAOYSA-N 1 0 308.400 4.103 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(C(F)F)cc3)cc2)CC1 ZINC000594943709 1050578711 /nfs/dbraw/zinc/57/87/11/1050578711.db2.gz GFXLJRRWRJEYNT-UHFFFAOYSA-N 1 0 312.363 4.469 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCCC[C@H]3C(F)(F)F)cc2)CC1 ZINC000594944688 1050578798 /nfs/dbraw/zinc/57/87/98/1050578798.db2.gz BEGIVTUAIFEAHD-CVEARBPZSA-N 1 0 322.374 4.452 20 30 DIEDRO CCc1cccc2cc(C[NH2+]Cc3ccc(C#N)c(OC)c3)oc21 ZINC000594940431 1050579414 /nfs/dbraw/zinc/57/94/14/1050579414.db2.gz CKLJLYHZIKFICA-UHFFFAOYSA-N 1 0 320.392 4.165 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(F)c(F)c1F ZINC000594952431 1050580793 /nfs/dbraw/zinc/58/07/93/1050580793.db2.gz ZCLRSJHZFMTYCI-MRXNPFEDSA-N 1 0 316.326 4.143 20 30 DIEDRO C=CCCSCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000594960148 1050581966 /nfs/dbraw/zinc/58/19/66/1050581966.db2.gz LBTUWDGZCUPVDQ-UHFFFAOYSA-N 1 0 304.484 4.209 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1F ZINC000594968416 1050583270 /nfs/dbraw/zinc/58/32/70/1050583270.db2.gz GLLMRYUKYHGCLT-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(OC2CC2)c1F)c1cccc(C#N)c1 ZINC000594966935 1050583536 /nfs/dbraw/zinc/58/35/36/1050583536.db2.gz DWYIFLAGQCSUQB-UHFFFAOYSA-N 1 0 324.399 4.263 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001171185703 1050586278 /nfs/dbraw/zinc/58/62/78/1050586278.db2.gz RMEOOFJRTDYNQH-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO CC(C)(C#N)CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000746671330 1050587300 /nfs/dbraw/zinc/58/73/00/1050587300.db2.gz ILNKABRLDICDEM-UHFFFAOYSA-N 1 0 300.446 4.467 20 30 DIEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000594979871 1050587880 /nfs/dbraw/zinc/58/78/80/1050587880.db2.gz MPOHBVPBGAZFOL-QFBILLFUSA-N 1 0 324.468 4.146 20 30 DIEDRO COc1cccc(C2([NH2+]Cc3ccc(C#N)c(C)c3)CCC2)c1 ZINC000594996872 1050589429 /nfs/dbraw/zinc/58/94/29/1050589429.db2.gz FYZYELGESOVAOM-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CC[C@@H]3c3ccccc3)cc2)CC1 ZINC000594993642 1050590401 /nfs/dbraw/zinc/59/04/01/1050590401.db2.gz DXULBRWDWGZECO-WOJBJXKFSA-N 1 0 302.421 4.278 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001171189430 1050590520 /nfs/dbraw/zinc/59/05/20/1050590520.db2.gz GAZLMYFZTGYLPD-DJJJIMSYSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001171189661 1050591167 /nfs/dbraw/zinc/59/11/67/1050591167.db2.gz IQJAHYFNFYYJPE-CBCUQQMYSA-N 1 0 324.390 4.448 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000595056798 1050591702 /nfs/dbraw/zinc/59/17/02/1050591702.db2.gz WPAWVVHRISFFCI-PMACEKPBSA-N 1 0 319.452 4.120 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)C(C)(C)C(F)F ZINC000595004517 1050591876 /nfs/dbraw/zinc/59/18/76/1050591876.db2.gz AQYPMBIHIZWHNR-GFCCVEGCSA-N 1 0 312.429 4.061 20 30 DIEDRO COc1cccc2cc([C@H](C)[NH2+]CCc3ccc(C#N)cc3)oc21 ZINC000595055641 1050592621 /nfs/dbraw/zinc/59/26/21/1050592621.db2.gz HNFSPWWPPAXRIP-AWEZNQCLSA-N 1 0 320.392 4.206 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[C@H]1c1cccc(Cl)c1 ZINC001171190727 1050593088 /nfs/dbraw/zinc/59/30/88/1050593088.db2.gz XQPGLKOFHJGMHZ-VMDGZTHMSA-N 1 0 310.828 4.288 20 30 DIEDRO C=CCCSCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000595060558 1050593809 /nfs/dbraw/zinc/59/38/09/1050593809.db2.gz VNKXAEIJPQQWDA-SJORKVTESA-N 1 0 304.503 4.315 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000595058262 1050593873 /nfs/dbraw/zinc/59/38/73/1050593873.db2.gz FZVWJPQUTKJIQK-OAHLLOKOSA-N 1 0 315.486 4.047 20 30 DIEDRO C[C@@H]([NH3+])Cc1cn([C@H](C)Cc2cccc(C#N)c2)c2ccccc12 ZINC001171190040 1050594120 /nfs/dbraw/zinc/59/41/20/1050594120.db2.gz OVNJLMBKMIUWMY-HZPDHXFCSA-N 1 0 317.436 4.206 20 30 DIEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000739926375 1050594386 /nfs/dbraw/zinc/59/43/86/1050594386.db2.gz FGCNEMXOQORELE-MRXNPFEDSA-N 1 0 306.837 4.397 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001171190729 1050594385 /nfs/dbraw/zinc/59/43/85/1050594385.db2.gz XQPGLKOFHJGMHZ-ZNZDAUKMSA-N 1 0 310.828 4.288 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000595059143 1050595110 /nfs/dbraw/zinc/59/51/10/1050595110.db2.gz LSGBRRICALANEL-SJLPKXTDSA-N 1 0 305.487 4.053 20 30 DIEDRO C=CCCSCC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000595057268 1050595137 /nfs/dbraw/zinc/59/51/37/1050595137.db2.gz BYTZQRCOOGCYIK-INIZCTEOSA-N 1 0 320.458 4.129 20 30 DIEDRO Cc1ccccc1CC(C)(C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171192777 1050595974 /nfs/dbraw/zinc/59/59/74/1050595974.db2.gz AZDMRHKBTRIUME-QGZVFWFLSA-N 1 0 306.453 4.409 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171190225 1050596496 /nfs/dbraw/zinc/59/64/96/1050596496.db2.gz QJKFJPHYCUAGMN-JXFKEZNVSA-N 1 0 319.452 4.098 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)n1cc(C[NH3+])c2cc(Cl)ccc21 ZINC001171190327 1050597111 /nfs/dbraw/zinc/59/71/11/1050597111.db2.gz SAHAMRZYYIBYQK-ZDUSSCGKSA-N 1 0 323.827 4.429 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@H](C)Cc1cccc(C#N)c1 ZINC001171190228 1050597138 /nfs/dbraw/zinc/59/71/38/1050597138.db2.gz QJKFJPHYCUAGMN-UZLBHIALSA-N 1 0 319.452 4.098 20 30 DIEDRO C[C@H]([NH2+]CCCC#N)c1ccc(Br)c(Cl)c1 ZINC000595031459 1050599060 /nfs/dbraw/zinc/59/90/60/1050599060.db2.gz HEJWZYATVHUHAD-VIFPVBQESA-N 1 0 301.615 4.057 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595043077 1050600176 /nfs/dbraw/zinc/60/01/76/1050600176.db2.gz FWJQIRVVQUDDKZ-FZKQIMNGSA-N 1 0 317.392 4.428 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc2sccc21 ZINC001171193143 1050600017 /nfs/dbraw/zinc/60/00/17/1050600017.db2.gz SYEXWXPXFAKICK-AWEZNQCLSA-N 1 0 306.434 4.494 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000746681378 1050600529 /nfs/dbraw/zinc/60/05/29/1050600529.db2.gz YLOPPDIJCBNVOI-QRWLVFNGSA-N 1 0 324.399 4.311 20 30 DIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595034082 1050600755 /nfs/dbraw/zinc/60/07/55/1050600755.db2.gz UFHRKTPHXNPKAO-BMFZPTHFSA-N 1 0 321.262 4.052 20 30 DIEDRO COc1ccc(C2([NH2+][C@H](C)Cc3cccc(C#N)c3)CCC2)cc1 ZINC001171194219 1050601285 /nfs/dbraw/zinc/60/12/85/1050601285.db2.gz HVUFDVJCCIPLMV-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1ccccc1OC ZINC001171192393 1050601425 /nfs/dbraw/zinc/60/14/25/1050601425.db2.gz MWTFRJRMDMISJV-KXBFYZLASA-N 1 0 308.425 4.239 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC001171192231 1050601477 /nfs/dbraw/zinc/60/14/77/1050601477.db2.gz LRZGHBSFQRLSJB-HRAATJIYSA-N 1 0 317.436 4.348 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)Cc1ccccc1F ZINC001171192098 1050601742 /nfs/dbraw/zinc/60/17/42/1050601742.db2.gz KLDCCIMQZXPAAC-HNNXBMFYSA-N 1 0 310.416 4.239 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(F)cc1Cl ZINC001171195136 1050601857 /nfs/dbraw/zinc/60/18/57/1050601857.db2.gz PLINMQATLFADTD-CYBMUJFWSA-N 1 0 316.807 4.114 20 30 DIEDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(CC#N)CC1 ZINC000595049006 1050602504 /nfs/dbraw/zinc/60/25/04/1050602504.db2.gz IKWXDJQKXUXTAX-HNNXBMFYSA-N 1 0 321.262 4.054 20 30 DIEDRO COc1cccc(C2([NH2+][C@@H](C)Cc3cccc(C#N)c3)CCC2)c1 ZINC001171194606 1050602396 /nfs/dbraw/zinc/60/23/96/1050602396.db2.gz KVAREJTYFBLQHP-INIZCTEOSA-N 1 0 320.436 4.167 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC001171193806 1050604248 /nfs/dbraw/zinc/60/42/48/1050604248.db2.gz CHAWHFWMLYGPCE-OAHLLOKOSA-N 1 0 308.400 4.297 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCC3(CC3(F)F)CC1)CC2 ZINC000595097874 1050604685 /nfs/dbraw/zinc/60/46/85/1050604685.db2.gz LVLMJLGBULDYJQ-ARWYELJZSA-N 1 0 302.368 4.103 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC001171194018 1050604390 /nfs/dbraw/zinc/60/43/90/1050604390.db2.gz FJSFUNVVCASLKI-VBKZILBWSA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccc(C#N)cc1F ZINC000595101557 1050606820 /nfs/dbraw/zinc/60/68/20/1050606820.db2.gz WUPKUHFTWZTJMD-XOMBGVMMSA-N 1 0 308.347 4.316 20 30 DIEDRO C[C@H](O)[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595103954 1050607072 /nfs/dbraw/zinc/60/70/72/1050607072.db2.gz PKUKXRHPJNWSFD-RVHYNSKXSA-N 1 0 320.436 4.037 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc(C#N)cc1 ZINC000595076002 1050609990 /nfs/dbraw/zinc/60/99/90/1050609990.db2.gz CNLBVNWBHJARFM-ACRUOGEOSA-N 1 0 320.436 4.172 20 30 DIEDRO C[C@@]1(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1(F)F ZINC000595079623 1050610039 /nfs/dbraw/zinc/61/00/39/1050610039.db2.gz GAERPUSLOCUJPM-IAGOWNOFSA-N 1 0 304.384 4.351 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)Cc1cccc(F)c1 ZINC001171197796 1050611245 /nfs/dbraw/zinc/61/12/45/1050611245.db2.gz CIJXLFMULPQCOV-OAHLLOKOSA-N 1 0 310.416 4.239 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(C#N)CCCCC3)CC2)C1 ZINC000595092171 1050611763 /nfs/dbraw/zinc/61/17/63/1050611763.db2.gz YHQCQJSINCPHKN-PKOBYXMFSA-N 1 0 317.521 4.093 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1cccc(F)c1)C1CC1 ZINC001171198483 1050613468 /nfs/dbraw/zinc/61/34/68/1050613468.db2.gz MOIOQNUFAVFGDY-XOBRGWDASA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001171197890 1050617973 /nfs/dbraw/zinc/61/79/73/1050617973.db2.gz FFMZSCXNEQDUSP-MRXNPFEDSA-N 1 0 322.427 4.383 20 30 DIEDRO CC[C@@H](CC(F)F)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000595304504 1050621335 /nfs/dbraw/zinc/62/13/35/1050621335.db2.gz USNAFEODRBKTTN-AWEZNQCLSA-N 1 0 322.399 4.083 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H](C)CCCC(C)C)C2 ZINC001170078127 1050621855 /nfs/dbraw/zinc/62/18/55/1050621855.db2.gz QAIVSZKEIMGYAG-QUCCMNQESA-N 1 0 320.521 4.234 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001144573408 1050621647 /nfs/dbraw/zinc/62/16/47/1050621647.db2.gz IXRWXEKVQJVJFF-UHFFFAOYSA-N 1 0 303.327 4.319 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(Cl)s1 ZINC001171201638 1050627477 /nfs/dbraw/zinc/62/74/77/1050627477.db2.gz PDEWCYXLGZGADF-LBPRGKRZSA-N 1 0 304.846 4.036 20 30 DIEDRO COc1cccc(SCC[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000595413581 1050630418 /nfs/dbraw/zinc/63/04/18/1050630418.db2.gz VYLBECDONRQTDU-CQSZACIVSA-N 1 0 312.438 4.010 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC(C)C)ccn1 ZINC000592999021 1050631010 /nfs/dbraw/zinc/63/10/10/1050631010.db2.gz IXDRGAILSVZALV-UHFFFAOYSA-N 1 0 323.440 4.153 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000595419795 1050632847 /nfs/dbraw/zinc/63/28/47/1050632847.db2.gz LHWSZGWOVKGSON-KRWDZBQOSA-N 1 0 319.452 4.052 20 30 DIEDRO CO[C@H](C[NH2+][C@H](CCC#N)c1ccccc1)C1CCCCC1 ZINC000595418958 1050633969 /nfs/dbraw/zinc/63/39/69/1050633969.db2.gz GVORYHIUJMXMDF-RTBURBONSA-N 1 0 300.446 4.216 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000845926523 1050634891 /nfs/dbraw/zinc/63/48/91/1050634891.db2.gz RLUZJUSAOWPBBC-UXLLHSPISA-N 1 0 314.429 4.039 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC001171202777 1050635066 /nfs/dbraw/zinc/63/50/66/1050635066.db2.gz GAPYYFPHGRRAQG-QGZVFWFLSA-N 1 0 320.436 4.033 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC001171202776 1050635215 /nfs/dbraw/zinc/63/52/15/1050635215.db2.gz GAPYYFPHGRRAQG-KRWDZBQOSA-N 1 0 320.436 4.033 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000845941315 1050637168 /nfs/dbraw/zinc/63/71/68/1050637168.db2.gz LEPUJVUBTLNNEX-OTBWCIGPSA-N 1 0 322.493 4.157 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCOCc1ccccc1)c1ccccc1 ZINC000595503888 1050637107 /nfs/dbraw/zinc/63/71/07/1050637107.db2.gz XWLHRCKCVPBZEF-HXUWFJFHSA-N 1 0 308.425 4.228 20 30 DIEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000595623282 1050651862 /nfs/dbraw/zinc/65/18/62/1050651862.db2.gz LSTMMSHINJDGSQ-SFHVURJKSA-N 1 0 320.436 4.391 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000595620671 1050652089 /nfs/dbraw/zinc/65/20/89/1050652089.db2.gz OKUUQGRVSRZAJD-AWEZNQCLSA-N 1 0 321.262 4.007 20 30 DIEDRO C[C@@]1(CC[NH2+]Cc2cccc(OCCCC#N)c2)C[C@]1(F)Cl ZINC000846034200 1050653250 /nfs/dbraw/zinc/65/32/50/1050653250.db2.gz IJAVIMIHGNCOCQ-IAGOWNOFSA-N 1 0 324.827 4.163 20 30 DIEDRO CC(C)([NH2+]CCc1nsc2ccccc21)c1cccc(C#N)c1 ZINC000595632627 1050654721 /nfs/dbraw/zinc/65/47/21/1050654721.db2.gz HZDFACONAJHMGP-UHFFFAOYSA-N 1 0 321.449 4.235 20 30 DIEDRO COc1cc(Cl)ccc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633191 1050654870 /nfs/dbraw/zinc/65/48/70/1050654870.db2.gz NSJJJSQGTPNWHB-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO COc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)ccc1Cl ZINC000595633755 1050654978 /nfs/dbraw/zinc/65/49/78/1050654978.db2.gz YOJFWTSXEJLNNK-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000595614264 1050657058 /nfs/dbraw/zinc/65/70/58/1050657058.db2.gz JFDKDTMDSYMGFC-GOSISDBHSA-N 1 0 320.436 4.391 20 30 DIEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000595613317 1050657209 /nfs/dbraw/zinc/65/72/09/1050657209.db2.gz AUZHUZBKAWTKAC-SFHVURJKSA-N 1 0 320.436 4.391 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000595611288 1050657939 /nfs/dbraw/zinc/65/79/39/1050657939.db2.gz ITZKGQQNSCVXDT-ZDUSSCGKSA-N 1 0 315.804 4.121 20 30 DIEDRO C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615423 1050657961 /nfs/dbraw/zinc/65/79/61/1050657961.db2.gz QWKQOPVKKSUOEP-STQMWFEESA-N 1 0 307.235 4.136 20 30 DIEDRO C#CCCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000227357293 1050660557 /nfs/dbraw/zinc/66/05/57/1050660557.db2.gz KHQRZLBEVDODAK-UHFFFAOYSA-N 1 0 309.253 4.227 20 30 DIEDRO N#Cc1ccc(CN2CC3(CCCC3)[C@H]2c2ccco2)c(F)c1 ZINC000595675293 1050661083 /nfs/dbraw/zinc/66/10/83/1050661083.db2.gz MAJNDIBLVSHUHP-GOSISDBHSA-N 1 0 310.372 4.408 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1F ZINC000595686446 1050661180 /nfs/dbraw/zinc/66/11/80/1050661180.db2.gz ZZPDEWYMOIXWNQ-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccccc3[C@H](C)C2)cc1 ZINC000846066839 1050662956 /nfs/dbraw/zinc/66/29/56/1050662956.db2.gz HKGYJZHUEWQSMN-IAGOWNOFSA-N 1 0 320.436 4.139 20 30 DIEDRO CC(C)(C)OC(=O)CCC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000595716683 1050663247 /nfs/dbraw/zinc/66/32/47/1050663247.db2.gz JDIMNHIKZICATR-UHFFFAOYSA-N 1 0 322.493 4.150 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)cc1F ZINC000595750384 1050667388 /nfs/dbraw/zinc/66/73/88/1050667388.db2.gz BCJQMOHGEODEGM-LJQANCHMSA-N 1 0 324.399 4.237 20 30 DIEDRO CC1(C)CC[N@H+](CCCC2(C#N)CCOCC2)CC(C)(C)C1 ZINC000595752909 1050668906 /nfs/dbraw/zinc/66/89/06/1050668906.db2.gz ZAHXPINFERFHKM-UHFFFAOYSA-N 1 0 306.494 4.235 20 30 DIEDRO C[C@@]1(C#N)CC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000595839638 1050670212 /nfs/dbraw/zinc/67/02/12/1050670212.db2.gz KOYBFBHIPKGIJN-ICTCPBKTSA-N 1 0 319.246 4.088 20 30 DIEDRO C[C@@]1(C#N)CCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000595841018 1050670233 /nfs/dbraw/zinc/67/02/33/1050670233.db2.gz TZHXHGCMIHATAZ-FQEVSTJZSA-N 1 0 306.409 4.001 20 30 DIEDRO N#CC1(CC[NH+]2CCC([C@H]3CCCCO3)CC2)CCCCC1 ZINC000595784615 1050670756 /nfs/dbraw/zinc/67/07/56/1050670756.db2.gz SYDYXIPBFNOQHN-GOSISDBHSA-N 1 0 304.478 4.132 20 30 DIEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCCCC(C)(C)C#N)C12CCC2 ZINC000595777945 1050671169 /nfs/dbraw/zinc/67/11/69/1050671169.db2.gz MMQFUBZWZSUWDW-CVEARBPZSA-N 1 0 306.494 4.422 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000595828303 1050673131 /nfs/dbraw/zinc/67/31/31/1050673131.db2.gz KIELCJPTIZXZIY-UHFFFAOYSA-N 1 0 312.457 4.176 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1Br ZINC000595844133 1050674636 /nfs/dbraw/zinc/67/46/36/1050674636.db2.gz AJNXDUOGZQHWCG-GASCZTMLSA-N 1 0 317.230 4.004 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCC[C@@H](C3CCCCC3)C2)CCOCC1 ZINC000595876123 1050676164 /nfs/dbraw/zinc/67/61/64/1050676164.db2.gz DGFLRMRIUIIPSX-LJQANCHMSA-N 1 0 318.505 4.379 20 30 DIEDRO C[NH+](C)[C@H]1CCCC(N=Nc2nc(-c3ccccc3)cs2)C1 ZINC000788422740 1050676392 /nfs/dbraw/zinc/67/63/92/1050676392.db2.gz KLADEGGFTWGKKS-HNNXBMFYSA-N 1 0 314.458 4.082 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846171258 1050680610 /nfs/dbraw/zinc/68/06/10/1050680610.db2.gz FMCXMFXFLRWOQN-NVXWUHKLSA-N 1 0 311.425 4.239 20 30 DIEDRO CC[C@H]1c2ccsc2CC[N@H+]1CCOc1ccccc1C#N ZINC000059931434 1050681175 /nfs/dbraw/zinc/68/11/75/1050681175.db2.gz FTXCBNQZUAIYRY-INIZCTEOSA-N 1 0 312.438 4.008 20 30 DIEDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1O ZINC000846172326 1050682258 /nfs/dbraw/zinc/68/22/58/1050682258.db2.gz LEWUXMNEHSQJPQ-UGSOOPFHSA-N 1 0 322.408 4.001 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2c(Cl)n1 ZINC000788468751 1050685972 /nfs/dbraw/zinc/68/59/72/1050685972.db2.gz GGXROSOKYCYHBI-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000227582225 1050687745 /nfs/dbraw/zinc/68/77/45/1050687745.db2.gz LMAWOCXAJIJZKR-JKSUJKDBSA-N 1 0 322.493 4.253 20 30 DIEDRO Fc1cc(C[NH2+]CCSC(F)(F)F)cc(C(F)(F)F)c1 ZINC000227596354 1050689353 /nfs/dbraw/zinc/68/93/53/1050689353.db2.gz QSHDMWJEFOOIFX-UHFFFAOYSA-N 1 0 321.261 4.187 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)CC2 ZINC000846216939 1050696789 /nfs/dbraw/zinc/69/67/89/1050696789.db2.gz WAPMANHESLNCAU-ZFWWWQNUSA-N 1 0 309.240 4.109 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001171220526 1050707410 /nfs/dbraw/zinc/70/74/10/1050707410.db2.gz BGQDLNBNWXEOFF-GSEWJITGSA-N 1 0 308.469 4.390 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001171220706 1050712339 /nfs/dbraw/zinc/71/23/39/1050712339.db2.gz DQRBMRFXAKRSJT-UTKZUKDTSA-N 1 0 320.436 4.033 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1ccccc1F ZINC001171221672 1050714007 /nfs/dbraw/zinc/71/40/07/1050714007.db2.gz RRQNFFUGWXCGDP-MGPUTAFESA-N 1 0 308.400 4.465 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221893 1050714174 /nfs/dbraw/zinc/71/41/74/1050714174.db2.gz WTQURAXGIINGMU-JXFKEZNVSA-N 1 0 320.436 4.335 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171221895 1050714660 /nfs/dbraw/zinc/71/46/60/1050714660.db2.gz WTQURAXGIINGMU-OXQOHEQNSA-N 1 0 320.436 4.335 20 30 DIEDRO C=CCCCCCCCCC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001144797795 1050715765 /nfs/dbraw/zinc/71/57/65/1050715765.db2.gz NVTCANQGEHODNT-SFHVURJKSA-N 1 0 308.510 4.234 20 30 DIEDRO C=CCCCCCCCCC(=O)N1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001144797690 1050715854 /nfs/dbraw/zinc/71/58/54/1050715854.db2.gz IWIOKAHDALIOCF-RTBURBONSA-N 1 0 320.521 4.093 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001171223501 1050718257 /nfs/dbraw/zinc/71/82/57/1050718257.db2.gz MZIHIKDHVRCTNW-OXQOHEQNSA-N 1 0 322.477 4.279 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000788621236 1050718914 /nfs/dbraw/zinc/71/89/14/1050718914.db2.gz LEQSGJFDHBMZTN-PCCBWWKXSA-N 1 0 322.452 4.357 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001171228182 1050721669 /nfs/dbraw/zinc/72/16/69/1050721669.db2.gz FCQLNZKHXITQBA-YJBOKZPZSA-N 1 0 300.421 4.093 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001171228945 1050722444 /nfs/dbraw/zinc/72/24/44/1050722444.db2.gz JYCGTAXFLGUKBE-INIZCTEOSA-N 1 0 304.437 4.283 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001171232953 1050726957 /nfs/dbraw/zinc/72/69/57/1050726957.db2.gz XUDIKKHKRSMZFU-MRXNPFEDSA-N 1 0 320.436 4.074 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001171230151 1050727770 /nfs/dbraw/zinc/72/77/70/1050727770.db2.gz SRMIZBNYUAHQNL-KRWDZBQOSA-N 1 0 306.453 4.442 20 30 DIEDRO CCCCCCCC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000772948706 1050739213 /nfs/dbraw/zinc/73/92/13/1050739213.db2.gz JYIJHXRVSWPIFI-HNNXBMFYSA-N 1 0 302.462 4.217 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000741808960 1050745249 /nfs/dbraw/zinc/74/52/49/1050745249.db2.gz WMOLOURWKKEPDQ-UHFFFAOYSA-N 1 0 318.848 4.399 20 30 DIEDRO COc1ccc(C)cc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000060208185 1050746019 /nfs/dbraw/zinc/74/60/19/1050746019.db2.gz VNSXVQOWGQDHFB-UHFFFAOYSA-N 1 0 308.425 4.286 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596594853 1050750788 /nfs/dbraw/zinc/75/07/88/1050750788.db2.gz WPJISYQTXBXSQF-IBGZPJMESA-N 1 0 319.452 4.466 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(Cl)c(F)c1 ZINC000846783459 1050751432 /nfs/dbraw/zinc/75/14/32/1050751432.db2.gz YDRGBNOXQABSEM-UHFFFAOYSA-N 1 0 317.795 4.156 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000596650397 1050764088 /nfs/dbraw/zinc/76/40/88/1050764088.db2.gz HWPVSLRVUBIVLU-NHCUHLMSSA-N 1 0 317.436 4.185 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CCC(F)(F)CC1 ZINC000788990044 1050774558 /nfs/dbraw/zinc/77/45/58/1050774558.db2.gz ZPSJJXBQESMWQT-UONOGXRCSA-N 1 0 322.399 4.454 20 30 DIEDRO COCc1csc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000596979811 1050792130 /nfs/dbraw/zinc/79/21/30/1050792130.db2.gz PMONXMKPFUZQHB-UHFFFAOYSA-N 1 0 314.454 4.177 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958282 1050792924 /nfs/dbraw/zinc/79/29/24/1050792924.db2.gz DOOQXVQPXBPCQI-DYVFJYSZSA-N 1 0 310.422 4.087 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000596982457 1050795310 /nfs/dbraw/zinc/79/53/10/1050795310.db2.gz BRBVRZJGWHDDHC-INIZCTEOSA-N 1 0 320.436 4.443 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CCC(c4ccccn4)CC3)cc2)CC1 ZINC000597000630 1050796323 /nfs/dbraw/zinc/79/63/23/1050796323.db2.gz ORSMCPJYKNWQHU-UHFFFAOYSA-N 1 0 317.436 4.016 20 30 DIEDRO CC[C@@H](CC#N)NCc1cc2cc(Cl)ccc2nc1Cl ZINC000846979780 1050796370 /nfs/dbraw/zinc/79/63/70/1050796370.db2.gz CQKPUABZKMQMGO-ZDUSSCGKSA-N 1 0 308.212 4.323 20 30 DIEDRO CC(C)(C)OC1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597000476 1050798084 /nfs/dbraw/zinc/79/80/84/1050798084.db2.gz LPAUTMPNUNCJNT-UHFFFAOYSA-N 1 0 312.457 4.021 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CC[C@@H]3CC3(Cl)Cl)CCC2)cc1 ZINC000847060749 1050804452 /nfs/dbraw/zinc/80/44/52/1050804452.db2.gz RWDLKBCGAYLCNJ-CQSZACIVSA-N 1 0 309.240 4.111 20 30 DIEDRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597085188 1050805370 /nfs/dbraw/zinc/80/53/70/1050805370.db2.gz SIPKLNLJGPTFLY-XJKSGUPXSA-N 1 0 322.374 4.405 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@@H](CC)Cc1ccc(Br)cc1 ZINC000597086350 1050806018 /nfs/dbraw/zinc/80/60/18/1050806018.db2.gz LEZVABUHKZLIDB-CABCVRRESA-N 1 0 309.251 4.052 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597077734 1050807351 /nfs/dbraw/zinc/80/73/51/1050807351.db2.gz XYCWTRQPXJIGJG-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(C#N)CC1 ZINC000597120743 1050808303 /nfs/dbraw/zinc/80/83/03/1050808303.db2.gz JDNWNVOPTFVSRP-JTQLQIEISA-N 1 0 316.754 4.183 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CCC(CC(F)(F)F)CC3)cc2)CC1 ZINC000597122591 1050808447 /nfs/dbraw/zinc/80/84/47/1050808447.db2.gz ZNLCPFSNJGMDIS-UHFFFAOYSA-N 1 0 322.374 4.406 20 30 DIEDRO CC(C)C1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000772961156 1050808178 /nfs/dbraw/zinc/80/81/78/1050808178.db2.gz ZKZXUZARIMHFED-KLHKWILBSA-N 1 0 300.446 4.454 20 30 DIEDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133022 1050810501 /nfs/dbraw/zinc/81/05/01/1050810501.db2.gz PZJZBHZOGUXILW-IBGZPJMESA-N 1 0 305.425 4.220 20 30 DIEDRO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H](C)c1cccnc1 ZINC000597132439 1050813050 /nfs/dbraw/zinc/81/30/50/1050813050.db2.gz HSGZLDAKDQCASL-INIZCTEOSA-N 1 0 305.425 4.220 20 30 DIEDRO C[N@H+](CCOc1ccccc1C#N)Cc1cccc2ccccc21 ZINC000060477845 1050817250 /nfs/dbraw/zinc/81/72/50/1050817250.db2.gz ZTAYJUGIOXGGCS-UHFFFAOYSA-N 1 0 316.404 4.222 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]CCCCC2(C#N)CCC2)C12CCCC2 ZINC001170104403 1050820586 /nfs/dbraw/zinc/82/05/86/1050820586.db2.gz HJUGVORXCXJJSR-DLBZAZTESA-N 1 0 304.478 4.178 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000742369948 1050821624 /nfs/dbraw/zinc/82/16/24/1050821624.db2.gz LDLXULFZAMEYCF-UHFFFAOYSA-N 1 0 317.816 4.203 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)CCc2ccc(C)o2)cc1 ZINC000742381510 1050825233 /nfs/dbraw/zinc/82/52/33/1050825233.db2.gz YZWYMWFEXMBAPM-MRXNPFEDSA-N 1 0 311.425 4.101 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC000597237545 1050825451 /nfs/dbraw/zinc/82/54/51/1050825451.db2.gz FQWXLZQVWNGYNJ-UHFFFAOYSA-N 1 0 322.433 4.060 20 30 DIEDRO CCC(CC)(C[NH2+]Cc1ccc(N(C)CCC#N)cc1)SC ZINC000742388005 1050827898 /nfs/dbraw/zinc/82/78/98/1050827898.db2.gz MVNDFASHPLMPSL-UHFFFAOYSA-N 1 0 319.518 4.048 20 30 DIEDRO C#CCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000742385004 1050828144 /nfs/dbraw/zinc/82/81/44/1050828144.db2.gz CMAGLFFFWRSIMM-UHFFFAOYSA-N 1 0 302.421 4.193 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1C#N ZINC000742371768 1050831666 /nfs/dbraw/zinc/83/16/66/1050831666.db2.gz BYSORMZKJPMUFI-AZUAARDMSA-N 1 0 320.436 4.068 20 30 DIEDRO C=CCc1cc(C[NH2+]C2CCC(C)CC2)cc(OC)c1OC ZINC000742370473 1050832042 /nfs/dbraw/zinc/83/20/42/1050832042.db2.gz WEJQDRJBLXZBCO-UHFFFAOYSA-N 1 0 303.446 4.101 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@H](C)C2)cc(OC)c1OC ZINC000742370329 1050832308 /nfs/dbraw/zinc/83/23/08/1050832308.db2.gz LHSGNNBGGCZSLB-YOEHRIQHSA-N 1 0 303.446 4.101 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1C#N ZINC000742371771 1050832578 /nfs/dbraw/zinc/83/25/78/1050832578.db2.gz BYSORMZKJPMUFI-UYAOXDASSA-N 1 0 320.436 4.068 20 30 DIEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000789450238 1050834644 /nfs/dbraw/zinc/83/46/44/1050834644.db2.gz LCAWYMNWFUHTCF-MGPQQGTHSA-N 1 0 306.837 4.109 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)cc1C#N ZINC000742374197 1050834841 /nfs/dbraw/zinc/83/48/41/1050834841.db2.gz QBVSWVNZRFZZTJ-RBUKOAKNSA-N 1 0 324.399 4.132 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](C)Cc2cccs2)cc1 ZINC000742375141 1050835748 /nfs/dbraw/zinc/83/57/48/1050835748.db2.gz IWOHCSYCCKACAO-MRXNPFEDSA-N 1 0 313.466 4.119 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000742375469 1050836802 /nfs/dbraw/zinc/83/68/02/1050836802.db2.gz ORNFTMUSDVLGMS-VQTJNVASSA-N 1 0 311.473 4.095 20 30 DIEDRO C=CC(C)(C)C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC001146800434 1050842896 /nfs/dbraw/zinc/84/28/96/1050842896.db2.gz WMCCCXMGTYKWJW-INIZCTEOSA-N 1 0 316.489 4.224 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CC2CCC2)ccc1OC ZINC000772979753 1050855722 /nfs/dbraw/zinc/85/57/22/1050855722.db2.gz MBXZUZRWWOVNQP-PBHICJAKSA-N 1 0 316.445 4.044 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(-n2c(CC[NH3+])cc3ccccc32)cc1 ZINC001171304315 1050879904 /nfs/dbraw/zinc/87/99/04/1050879904.db2.gz HIXDCMFWSQKUBJ-FQEVSTJZSA-N 1 0 317.436 4.395 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)c1 ZINC000772982682 1050884410 /nfs/dbraw/zinc/88/44/10/1050884410.db2.gz FEVHODBEAUXTPW-BFYDXBDKSA-N 1 0 300.446 4.282 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3c2cccc3C)c1 ZINC000772983570 1050896518 /nfs/dbraw/zinc/89/65/18/1050896518.db2.gz KZWNPOMJUWCJNK-LAUBAEHRSA-N 1 0 320.436 4.453 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CC2CCCC2)c1 ZINC000772984239 1050900030 /nfs/dbraw/zinc/90/00/30/1050900030.db2.gz OCXOPRIKKDPGPP-YJBOKZPZSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCCC2(C)C)c1 ZINC000772985474 1050905427 /nfs/dbraw/zinc/90/54/27/1050905427.db2.gz RSXKOSHVLRTUAA-FUHWJXTLSA-N 1 0 300.446 4.426 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000772988499 1050925255 /nfs/dbraw/zinc/92/52/55/1050925255.db2.gz QNAZKVTVOLZBMG-LJQANCHMSA-N 1 0 323.436 4.257 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)COc2ccc(C)cc2)c1 ZINC000742734047 1050930177 /nfs/dbraw/zinc/93/01/77/1050930177.db2.gz AYEBKPFJFYQMSR-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000772988919 1050933722 /nfs/dbraw/zinc/93/37/22/1050933722.db2.gz UAVFPHUGAVLIGN-KRWDZBQOSA-N 1 0 322.452 4.006 20 30 DIEDRO CCCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742789645 1050937518 /nfs/dbraw/zinc/93/75/18/1050937518.db2.gz BJWUBQQKSWYESC-LJQANCHMSA-N 1 0 316.489 4.080 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000348194032 1050999158 /nfs/dbraw/zinc/99/91/58/1050999158.db2.gz OWGDWMYJTTWPOZ-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743261209 1051009040 /nfs/dbraw/zinc/00/90/40/1051009040.db2.gz PXYFIPQZWAXDQB-OAQYLSRUSA-N 1 0 322.452 4.121 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3CCc4c(F)cc(F)cc4C3)(CC1)CC2 ZINC001171346358 1051010082 /nfs/dbraw/zinc/01/00/82/1051010082.db2.gz RGOXYJCPYQYFNF-VNCLNFNDSA-N 1 0 316.395 4.028 20 30 DIEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000773011047 1051020898 /nfs/dbraw/zinc/02/08/98/1051020898.db2.gz RBGGANONKGIUAR-LBPRGKRZSA-N 1 0 315.454 4.061 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1nc(NC2CC2)cc(C)[nH+]1 ZINC001171370230 1051021285 /nfs/dbraw/zinc/02/12/85/1051021285.db2.gz UJBRQYKRNCJLBG-AWEZNQCLSA-N 1 0 324.428 4.097 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000773030188 1051030594 /nfs/dbraw/zinc/03/05/94/1051030594.db2.gz MQBBWGNXUSVZCA-MJGOQNOKSA-N 1 0 312.363 4.262 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2cccc(C#N)c2)c(O)c1 ZINC000743501069 1051036944 /nfs/dbraw/zinc/03/69/44/1051036944.db2.gz CACIKFNOFKPDBH-YZLQOSHFSA-N 1 0 321.424 4.290 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]c2c1ccn2C ZINC001171376406 1051042979 /nfs/dbraw/zinc/04/29/79/1051042979.db2.gz VVLQSAKCHQGIIG-CQSZACIVSA-N 1 0 307.397 4.311 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000791493760 1051053244 /nfs/dbraw/zinc/05/32/44/1051053244.db2.gz XVZXXCVDRGDEHY-LBPRGKRZSA-N 1 0 301.402 4.245 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)cc1C#N ZINC000773086100 1051058074 /nfs/dbraw/zinc/05/80/74/1051058074.db2.gz YHYOIRMYNCOWIW-RDTXWAMCSA-N 1 0 306.409 4.213 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](CC)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000773108548 1051064858 /nfs/dbraw/zinc/06/48/58/1051064858.db2.gz ZSOBNPGMBSCSOC-UXHICEINSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](CC#C)c2ccccc2)cc1 ZINC000773115729 1051065539 /nfs/dbraw/zinc/06/55/39/1051065539.db2.gz OMFDVFMRFJZJOT-LAUBAEHRSA-N 1 0 303.405 4.114 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000773117008 1051066614 /nfs/dbraw/zinc/06/66/14/1051066614.db2.gz SSRXSHWYEJWMMS-UWJYYQICSA-N 1 0 315.420 4.288 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H]1CCCc2ccc(OC)cc21)c1ccccc1 ZINC000773114274 1051067558 /nfs/dbraw/zinc/06/75/58/1051067558.db2.gz HZKRPJNFLLAYAL-NHCUHLMSSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000773117318 1051067904 /nfs/dbraw/zinc/06/79/04/1051067904.db2.gz VHEFVZNEKGPWNC-FXAWDEMLSA-N 1 0 320.436 4.066 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000743840427 1051071818 /nfs/dbraw/zinc/07/18/18/1051071818.db2.gz KSNWLIHQKSKTNF-UHFFFAOYSA-N 1 0 317.376 4.481 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000743849914 1051073375 /nfs/dbraw/zinc/07/33/75/1051073375.db2.gz AZRDWUSUKGUVHK-CJNGLKHVSA-N 1 0 304.821 4.007 20 30 DIEDRO CC(C)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000743851558 1051074878 /nfs/dbraw/zinc/07/48/78/1051074878.db2.gz KWMSJWGDOANFJH-UHFFFAOYSA-N 1 0 306.837 4.110 20 30 DIEDRO CCCCC[C@@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000773147814 1051080803 /nfs/dbraw/zinc/08/08/03/1051080803.db2.gz VLJWKDYCNWPKSJ-FAEJEUNOSA-N 1 0 315.461 4.202 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1N(C)C ZINC001171400099 1051087247 /nfs/dbraw/zinc/08/72/47/1051087247.db2.gz RCZHZMKPZSDNFW-INIZCTEOSA-N 1 0 307.441 4.126 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000743876372 1051088945 /nfs/dbraw/zinc/08/89/45/1051088945.db2.gz YXDRRWWHWCTDGW-VQIMIIECSA-N 1 0 324.424 4.393 20 30 DIEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@H]3C3CCCC3)n2)cc1 ZINC000744141143 1051120189 /nfs/dbraw/zinc/12/01/89/1051120189.db2.gz GUGDRVZRNCVNDR-FQEVSTJZSA-N 1 0 320.440 4.034 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001171459299 1051139606 /nfs/dbraw/zinc/13/96/06/1051139606.db2.gz SRMOFNUGRMWTNB-SJLPKXTDSA-N 1 0 312.457 4.215 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001171459287 1051140143 /nfs/dbraw/zinc/14/01/43/1051140143.db2.gz SRMOFNUGRMWTNB-AEFFLSMTSA-N 1 0 312.457 4.215 20 30 DIEDRO C[C@H]1CCCCN1c1cccc(NCc2ccc(C#N)s2)[nH+]1 ZINC001170199686 1051154243 /nfs/dbraw/zinc/15/42/43/1051154243.db2.gz FVXFYGLUBJVPAK-ZDUSSCGKSA-N 1 0 312.442 4.006 20 30 DIEDRO Cc1cccc2c1CC[C@H]([NH2+]C1(c3ccc(C#N)cc3)CC1)C2 ZINC001171557282 1051164965 /nfs/dbraw/zinc/16/49/65/1051164965.db2.gz SSPULSSMFQGGCZ-IBGZPJMESA-N 1 0 302.421 4.003 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001171571760 1051169643 /nfs/dbraw/zinc/16/96/43/1051169643.db2.gz BBWMULDSMGZVEJ-KRWDZBQOSA-N 1 0 323.411 4.250 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001170255875 1051175706 /nfs/dbraw/zinc/17/57/06/1051175706.db2.gz DQJPOMLYYUALOE-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C#CCC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171645439 1051181370 /nfs/dbraw/zinc/18/13/70/1051181370.db2.gz MPGJWNSDSXAWAA-UHFFFAOYSA-N 1 0 306.247 4.088 20 30 DIEDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001170387235 1051196013 /nfs/dbraw/zinc/19/60/13/1051196013.db2.gz SBGIQQIVFSAEFR-ZWKOTPCHSA-N 1 0 314.473 4.169 20 30 DIEDRO C[C@@]1(CF)CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378768 1051199718 /nfs/dbraw/zinc/19/97/18/1051199718.db2.gz KNWRDQIFLGLUMB-XBMUEBEBSA-N 1 0 300.421 4.072 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000182967608 1051210195 /nfs/dbraw/zinc/21/01/95/1051210195.db2.gz ZRAOJEJSYHOVKA-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO C=C[C@@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1 ZINC001171740689 1051215479 /nfs/dbraw/zinc/21/54/79/1051215479.db2.gz KVOXWLXQFGZZDK-JRGCBEDISA-N 1 0 306.453 4.166 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171782832 1051217755 /nfs/dbraw/zinc/21/77/55/1051217755.db2.gz GHICZRZNNTVAQW-GOEBONIOSA-N 1 0 311.400 4.209 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792910073 1051222255 /nfs/dbraw/zinc/22/22/55/1051222255.db2.gz VIHVYYKGAMEUHR-OCCSQVGLSA-N 1 0 303.277 4.222 20 30 DIEDRO N#Cc1ccc(C2CC[NH+]([C@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171809520 1051225271 /nfs/dbraw/zinc/22/52/71/1051225271.db2.gz KFNBZGJUGYSJSC-IBGZPJMESA-N 1 0 320.411 4.044 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000792927483 1051230275 /nfs/dbraw/zinc/23/02/75/1051230275.db2.gz RJFOJGOKXWEXLL-OLMNPRSZSA-N 1 0 320.864 4.275 20 30 DIEDRO C#CCCC[NH2+][C@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000792925830 1051230910 /nfs/dbraw/zinc/23/09/10/1051230910.db2.gz LPWCCCNFVGSUIF-OAHLLOKOSA-N 1 0 300.229 4.074 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000792927480 1051231961 /nfs/dbraw/zinc/23/19/61/1051231961.db2.gz RJFOJGOKXWEXLL-JLSDUUJJSA-N 1 0 320.864 4.275 20 30 DIEDRO C=CC[N@H+](C1CCCCC1)C1CCC(C)(C(=O)OCC)CC1 ZINC001171957498 1051244122 /nfs/dbraw/zinc/24/41/22/1051244122.db2.gz QLTONFOUASWWQJ-UHFFFAOYSA-N 1 0 307.478 4.319 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000766330573 1051250653 /nfs/dbraw/zinc/25/06/53/1051250653.db2.gz VABPRXLAAMZZLJ-MJGOQNOKSA-N 1 0 308.400 4.369 20 30 DIEDRO C=C[C@@H]([NH2+]C1CCC(C)(C(=O)OCC)CC1)c1ccccc1 ZINC001171945959 1051256756 /nfs/dbraw/zinc/25/67/56/1051256756.db2.gz NUSWLNXHBDAJNJ-TVRKMHQQSA-N 1 0 301.430 4.015 20 30 DIEDRO CC(C)(C)C#CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975144 1051265397 /nfs/dbraw/zinc/26/53/97/1051265397.db2.gz LEIOWNJLGYKQQX-IBGZPJMESA-N 1 0 312.501 4.069 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC001215648509 1051286139 /nfs/dbraw/zinc/28/61/39/1051286139.db2.gz VKRMMNBQKIZIIU-GOSISDBHSA-N 1 0 321.424 4.304 20 30 DIEDRO C[NH+](C)[C@@H](C/N=C/c1c(O)ccc2ccccc21)c1cccs1 ZINC000005290734 1051293740 /nfs/dbraw/zinc/29/37/40/1051293740.db2.gz GLHRFDFUFMGPDO-RONKMWSCSA-N 1 0 324.449 4.329 20 30 DIEDRO N#Cc1cccc(N)c1Nc1cccc(C[NH+]2CCCCC2)c1F ZINC001215678419 1051296798 /nfs/dbraw/zinc/29/67/98/1051296798.db2.gz BHZGOSSVKIUMCN-UHFFFAOYSA-N 1 0 324.403 4.009 20 30 DIEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CCC#N)C1CCCCCCC1)C2 ZINC001172121520 1051303619 /nfs/dbraw/zinc/30/36/19/1051303619.db2.gz KGTOPARIUYRUEO-PMOLBWCYSA-N 1 0 317.521 4.330 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000793515719 1051305044 /nfs/dbraw/zinc/30/50/44/1051305044.db2.gz IWCBORQGXYEAOW-IAGOWNOFSA-N 1 0 312.461 4.443 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000793528378 1051305954 /nfs/dbraw/zinc/30/59/54/1051305954.db2.gz XNTXNKVUQAYKRS-MRXNPFEDSA-N 1 0 308.510 4.138 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000746015168 1051306780 /nfs/dbraw/zinc/30/67/80/1051306780.db2.gz WKJAFXFGNMCUQI-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000793522187 1051307714 /nfs/dbraw/zinc/30/77/14/1051307714.db2.gz ALOIEQOCSHUEEA-SFHVURJKSA-N 1 0 316.489 4.138 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000793525409 1051308720 /nfs/dbraw/zinc/30/87/20/1051308720.db2.gz VORZMBAENWHAFM-MRXNPFEDSA-N 1 0 316.445 4.258 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000793525616 1051309399 /nfs/dbraw/zinc/30/93/99/1051309399.db2.gz PDISHRRDYBMGRE-MRXNPFEDSA-N 1 0 302.462 4.003 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000746047890 1051311048 /nfs/dbraw/zinc/31/10/48/1051311048.db2.gz SKFUVBIGDOPMIX-YOEHRIQHSA-N 1 0 312.413 4.067 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000746047888 1051311218 /nfs/dbraw/zinc/31/12/18/1051311218.db2.gz SKFUVBIGDOPMIX-RHSMWYFYSA-N 1 0 312.413 4.067 20 30 DIEDRO N#Cc1ccccc1Nc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001215711549 1051319059 /nfs/dbraw/zinc/31/90/59/1051319059.db2.gz DAHQMOSIPOIIIR-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO Cc1cc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)cnc1C#N ZINC001215711491 1051320099 /nfs/dbraw/zinc/32/00/99/1051320099.db2.gz VHICQCAZDHDIQT-UHFFFAOYSA-N 1 0 324.403 4.130 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000793530186 1051320759 /nfs/dbraw/zinc/32/07/59/1051320759.db2.gz DMBGDMLLOXHQMF-HKUYNNGSSA-N 1 0 320.521 4.282 20 30 DIEDRO N#Cc1c(C[N@H+](CCc2ccccc2)C2CC2)cn2ccccc12 ZINC000746118990 1051322404 /nfs/dbraw/zinc/32/24/04/1051322404.db2.gz MXXBIEGNGYNQLK-UHFFFAOYSA-N 1 0 315.420 4.018 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2c(F)cccc2C#N)c1 ZINC001215725804 1051325432 /nfs/dbraw/zinc/32/54/32/1051325432.db2.gz MDSCIQMLEBGHRD-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000793620936 1051329514 /nfs/dbraw/zinc/32/95/14/1051329514.db2.gz UNYUGSXCXKYNFJ-QGZVFWFLSA-N 1 0 318.420 4.267 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC001172302502 1051331513 /nfs/dbraw/zinc/33/15/13/1051331513.db2.gz LHQUOOVKUBFCKX-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1coc2ccccc12 ZINC001172301328 1051331867 /nfs/dbraw/zinc/33/18/67/1051331867.db2.gz MPJHIKWYUFTHDI-HNNXBMFYSA-N 1 0 304.393 4.068 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c(F)c1F ZINC001172300790 1051332113 /nfs/dbraw/zinc/33/21/13/1051332113.db2.gz ZIHIKTMTEVZPEI-KBPBESRZSA-N 1 0 314.379 4.427 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@H](C)Cc1ccc(C#N)cc1 ZINC001172301139 1051332331 /nfs/dbraw/zinc/33/23/31/1051332331.db2.gz KYEPXAXCUULZOG-OXQOHEQNSA-N 1 0 319.452 4.098 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001172306676 1051333901 /nfs/dbraw/zinc/33/39/01/1051333901.db2.gz KYEGLDIRPVJTNV-DYESRHJHSA-N 1 0 304.437 4.054 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172306826 1051334121 /nfs/dbraw/zinc/33/41/21/1051334121.db2.gz LIRTXUGJMCPEDC-JXFKEZNVSA-N 1 0 320.436 4.335 20 30 DIEDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172307480 1051334919 /nfs/dbraw/zinc/33/49/19/1051334919.db2.gz FKHJPUIPYCABCG-ZDUSSCGKSA-N 1 0 311.816 4.066 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172309641 1051336047 /nfs/dbraw/zinc/33/60/47/1051336047.db2.gz AZBYEJRWJZWBBH-IERDGZPVSA-N 1 0 304.437 4.499 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@H+]2[C@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172311045 1051336236 /nfs/dbraw/zinc/33/62/36/1051336236.db2.gz NSBUPYUQPBNIBM-OXQOHEQNSA-N 1 0 305.425 4.030 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001172307297 1051336417 /nfs/dbraw/zinc/33/64/17/1051336417.db2.gz NQQLIXYUADAVPS-UWJYYQICSA-N 1 0 320.436 4.033 20 30 DIEDRO C[NH2+]Cc1ccc2c(ccn2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172314414 1051337577 /nfs/dbraw/zinc/33/75/77/1051337577.db2.gz JMQHLTNFJBEFLE-HNNXBMFYSA-N 1 0 303.409 4.036 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2cnc(C#N)c(Cl)c2)cc1 ZINC001215745128 1051339079 /nfs/dbraw/zinc/33/90/79/1051339079.db2.gz RLYCZTGOLBYLRS-UHFFFAOYSA-N 1 0 314.820 4.096 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001172318808 1051339976 /nfs/dbraw/zinc/33/99/76/1051339976.db2.gz JFDGDKBWJDCDEH-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001172318791 1051340387 /nfs/dbraw/zinc/34/03/87/1051340387.db2.gz IUHWWACXZODTSQ-DNVCBOLYSA-N 1 0 308.400 4.118 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001172319542 1051340516 /nfs/dbraw/zinc/34/05/16/1051340516.db2.gz OJYCFFPLGUCSJO-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001172319541 1051340597 /nfs/dbraw/zinc/34/05/97/1051340597.db2.gz OJYCFFPLGUCSJO-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2cc(F)c(F)cc2C#N)cc1 ZINC001215746929 1051341256 /nfs/dbraw/zinc/34/12/56/1051341256.db2.gz VELPSSPZKLXUCU-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2ccccc21 ZINC001172292449 1051347091 /nfs/dbraw/zinc/34/70/91/1051347091.db2.gz PCGKEHOYBJBNKE-MRXNPFEDSA-N 1 0 300.405 4.432 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)cccc1Cl ZINC001172290682 1051347921 /nfs/dbraw/zinc/34/79/21/1051347921.db2.gz RGINRGHQZGFQSZ-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)ccc1Cl ZINC001172292118 1051348037 /nfs/dbraw/zinc/34/80/37/1051348037.db2.gz CXESBQDRXGTVQF-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001172290663 1051348075 /nfs/dbraw/zinc/34/80/75/1051348075.db2.gz DUQWFWLKLPIOLP-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)CC(F)(F)F ZINC000402697826 1051348618 /nfs/dbraw/zinc/34/86/18/1051348618.db2.gz RDNLYEIRGKMICM-QWHCGFSZSA-N 1 0 314.351 4.218 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172295373 1051349515 /nfs/dbraw/zinc/34/95/15/1051349515.db2.gz QXTQIFZQODDSKX-INIZCTEOSA-N 1 0 308.425 4.068 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)n1cc(CCC[NH3+])c2ccccc21 ZINC001172294339 1051349950 /nfs/dbraw/zinc/34/99/50/1051349950.db2.gz IFAFESHXLYPRFP-MRXNPFEDSA-N 1 0 317.436 4.208 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001172297014 1051350013 /nfs/dbraw/zinc/35/00/13/1051350013.db2.gz MJIPKYXRAMSBOZ-JLTOFOAXSA-N 1 0 324.855 4.290 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001172293763 1051350159 /nfs/dbraw/zinc/35/01/59/1051350159.db2.gz XMLMUGWGSHDRBQ-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO Cc1cccc2c(CC[NH3+])cn([C@@H](C)Cc3ccc(C#N)cc3)c21 ZINC001172295309 1051350200 /nfs/dbraw/zinc/35/02/00/1051350200.db2.gz QOUULXQDYJXKBI-INIZCTEOSA-N 1 0 317.436 4.126 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC001172298326 1051351782 /nfs/dbraw/zinc/35/17/82/1051351782.db2.gz WOWHUHJOPMCKCD-HRAATJIYSA-N 1 0 317.436 4.348 20 30 DIEDRO CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001172341730 1051362788 /nfs/dbraw/zinc/36/27/88/1051362788.db2.gz IAVUEPZIAZCEAA-FRQCXROJSA-N 1 0 302.462 4.439 20 30 DIEDRO CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001172341732 1051363324 /nfs/dbraw/zinc/36/33/24/1051363324.db2.gz IAVUEPZIAZCEAA-JTDSTZFVSA-N 1 0 302.462 4.439 20 30 DIEDRO CC[C@H](C)OCC[C@@H](C)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001172344772 1051364342 /nfs/dbraw/zinc/36/43/42/1051364342.db2.gz ZWENXIXEFUIKAA-SJORKVTESA-N 1 0 314.473 4.331 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001172346044 1051365022 /nfs/dbraw/zinc/36/50/22/1051365022.db2.gz FLPDAQPEFMSSGL-QGZVFWFLSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1cc(OC2COC2)ccn1 ZINC001172347560 1051366095 /nfs/dbraw/zinc/36/60/95/1051366095.db2.gz WZPVCWXVBTUYOC-INIZCTEOSA-N 1 0 320.477 4.088 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172346991 1051366297 /nfs/dbraw/zinc/36/62/97/1051366297.db2.gz OPQVHRZZIXCEOW-OAHLLOKOSA-N 1 0 309.450 4.075 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H](CC(=O)OC)c1cccnc1 ZINC001172350086 1051366459 /nfs/dbraw/zinc/36/64/59/1051366459.db2.gz JDSMENIZQYZPJD-ZWKOTPCHSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C1(CC)CCS(=O)(=O)CC1 ZINC001172350132 1051366466 /nfs/dbraw/zinc/36/64/66/1051366466.db2.gz KCMUMHHJMOJBIP-INIZCTEOSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC001172347555 1051367079 /nfs/dbraw/zinc/36/70/79/1051367079.db2.gz WYYOYMTWVLADPW-MRXNPFEDSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H]1CCN(Cc2cccnc2)C1 ZINC001172351863 1051368144 /nfs/dbraw/zinc/36/81/44/1051368144.db2.gz XEMPNINGTNJSPF-PMACEKPBSA-N 1 0 317.521 4.385 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]CC1CCN(C(=O)CC)CC1 ZINC001172350795 1051368775 /nfs/dbraw/zinc/36/87/75/1051368775.db2.gz PUFQLZBMYXXMKX-SFHVURJKSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[C@@H](CC)N(c1ncccn1)C1CC[NH2+]CC1 ZINC001172354025 1051370922 /nfs/dbraw/zinc/37/09/22/1051370922.db2.gz DQWGRCLAPWXCDT-QGZVFWFLSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001172354316 1051370975 /nfs/dbraw/zinc/37/09/75/1051370975.db2.gz GHDKYKVFQGACBE-QGZVFWFLSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001172356317 1051372460 /nfs/dbraw/zinc/37/24/60/1051372460.db2.gz WDCGYGQKIIBMNH-OWCLPIDISA-N 1 0 303.437 4.339 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC001172359515 1051373046 /nfs/dbraw/zinc/37/30/46/1051373046.db2.gz XLXBMHCINRYZIQ-MRXNPFEDSA-N 1 0 318.461 4.246 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(N(C)C(=O)CC)CC1 ZINC001172362510 1051373709 /nfs/dbraw/zinc/37/37/09/1051373709.db2.gz ZLPRFYZBAFDRKN-QGZVFWFLSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001172359940 1051374355 /nfs/dbraw/zinc/37/43/55/1051374355.db2.gz GKAJFYGACZOBQU-RTBURBONSA-N 1 0 310.526 4.457 20 30 DIEDRO COCc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000766348598 1051393690 /nfs/dbraw/zinc/39/36/90/1051393690.db2.gz AJULNTTZUKCFOA-GJZGRUSLSA-N 1 0 324.424 4.125 20 30 DIEDRO COCc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000766348602 1051394646 /nfs/dbraw/zinc/39/46/46/1051394646.db2.gz AJULNTTZUKCFOA-HUUCEWRRSA-N 1 0 324.424 4.125 20 30 DIEDRO CC[C@H](CC(C)C)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001172399847 1051397457 /nfs/dbraw/zinc/39/74/57/1051397457.db2.gz DWNZRLGCHIKANR-QGZVFWFLSA-N 1 0 300.446 4.226 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C(C)(C)c1ccccc1Br ZINC001172487556 1051399918 /nfs/dbraw/zinc/39/99/18/1051399918.db2.gz IIUJVPRORRVSEW-GFCCVEGCSA-N 1 0 309.251 4.356 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccccc1NC(=O)OC(C)(C)C ZINC001172479023 1051401591 /nfs/dbraw/zinc/40/15/91/1051401591.db2.gz GONOSVCUNXPLDH-AWEZNQCLSA-N 1 0 317.433 4.206 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC001172477095 1051401979 /nfs/dbraw/zinc/40/19/79/1051401979.db2.gz VHXISZSJXNLDIE-NHYWBVRUSA-N 1 0 307.235 4.108 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001172479146 1051402557 /nfs/dbraw/zinc/40/25/57/1051402557.db2.gz GVSAYXCHJBCMPI-CQSZACIVSA-N 1 0 317.433 4.206 20 30 DIEDRO COc1cccc([C@@H]([NH2+][C@H](C)CCCC#N)c2ccccc2)c1 ZINC001172486443 1051403494 /nfs/dbraw/zinc/40/34/94/1051403494.db2.gz BYNRNQHYABDPSF-UZLBHIALSA-N 1 0 308.425 4.457 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCOc2cc(C(F)(F)F)ccc21 ZINC001172486221 1051404024 /nfs/dbraw/zinc/40/40/24/1051404024.db2.gz CKSKYSITIICXBL-RISCZKNCSA-N 1 0 312.335 4.201 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC001172480629 1051404111 /nfs/dbraw/zinc/40/41/11/1051404111.db2.gz WDOOFZAOJFJUCA-LBPRGKRZSA-N 1 0 309.251 4.356 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](c1ccc(C(F)(F)F)cn1)C1CC1 ZINC001172486466 1051404294 /nfs/dbraw/zinc/40/42/94/1051404294.db2.gz FCHNLLUBWZVMNK-XHDPSFHLSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC001172484049 1051404308 /nfs/dbraw/zinc/40/43/08/1051404308.db2.gz WYKVAYXQKSCKBA-KRWDZBQOSA-N 1 0 308.425 4.438 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001172486514 1051404404 /nfs/dbraw/zinc/40/44/04/1051404404.db2.gz FVHQJGRMCJPBKG-OAHLLOKOSA-N 1 0 321.415 4.244 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(c2ccccc2Br)CC1 ZINC001172485724 1051404563 /nfs/dbraw/zinc/40/45/63/1051404563.db2.gz SSKMSXCJKKOSSK-LBPRGKRZSA-N 1 0 307.235 4.110 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC001172485521 1051404809 /nfs/dbraw/zinc/40/48/09/1051404809.db2.gz QYHDCDCOLKSHBM-LBPRGKRZSA-N 1 0 307.235 4.110 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(Cc2ccc(Cl)cc2)CCOCC1 ZINC001172486849 1051405981 /nfs/dbraw/zinc/40/59/81/1051405981.db2.gz HUCQSBFHXHSSJN-HNNXBMFYSA-N 1 0 320.864 4.104 20 30 DIEDRO CC(C)COCC[C@@H](C)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001172465532 1051415341 /nfs/dbraw/zinc/41/53/41/1051415341.db2.gz WFULFIGQGOGHHM-VQIMIIECSA-N 1 0 302.462 4.296 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](c1ccncc1C(F)(F)F)C1CC1 ZINC001172487777 1051417056 /nfs/dbraw/zinc/41/70/56/1051417056.db2.gz NJNYYJIZDKLXCO-IAQYHMDHSA-N 1 0 311.351 4.223 20 30 DIEDRO COc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CCCC#N)c1OC ZINC001172489438 1051417128 /nfs/dbraw/zinc/41/71/28/1051417128.db2.gz RRKLGLNYGBIOJS-VXGBXAGGSA-N 1 0 310.825 4.090 20 30 DIEDRO COc1ccccc1CC1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172497150 1051417867 /nfs/dbraw/zinc/41/78/67/1051417867.db2.gz YUMGVGQTABQXNW-MRXNPFEDSA-N 1 0 300.446 4.032 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(Br)cc1Cl ZINC001172490873 1051418308 /nfs/dbraw/zinc/41/83/08/1051418308.db2.gz LVLMRFLRPGCQQA-SNVBAGLBSA-N 1 0 315.642 4.274 20 30 DIEDRO C[C@@H](CCCC#N)[N@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001172497220 1051418867 /nfs/dbraw/zinc/41/88/67/1051418867.db2.gz ACOSBFOSTYSDIT-ZEWNOJEFSA-N 1 0 324.468 4.266 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC2(CC1)OCc1cc(Cl)ccc12 ZINC001172497963 1051419038 /nfs/dbraw/zinc/41/90/38/1051419038.db2.gz HXFJHZAPSWBZGT-CQSZACIVSA-N 1 0 318.848 4.244 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC2(C[C@H](c3ccccc3)CO2)CC1 ZINC001172495318 1051419040 /nfs/dbraw/zinc/41/90/40/1051419040.db2.gz PCFRXHNPXTUJIE-HKUYNNGSSA-N 1 0 312.457 4.107 20 30 DIEDRO C=CCOCc1cccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001170452845 1051419732 /nfs/dbraw/zinc/41/97/32/1051419732.db2.gz CVICEENFIGVCDH-UHFFFAOYSA-N 1 0 316.489 4.453 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172501776 1051420444 /nfs/dbraw/zinc/42/04/44/1051420444.db2.gz JZCPYQZRZYQJBD-GUDVDZBRSA-N 1 0 322.537 4.458 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC(Cc2ccc(F)cc2F)CC1 ZINC001172499180 1051420837 /nfs/dbraw/zinc/42/08/37/1051420837.db2.gz VLDUZTFJTSTHFY-AWEZNQCLSA-N 1 0 306.400 4.302 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001172501301 1051420847 /nfs/dbraw/zinc/42/08/47/1051420847.db2.gz BGYPVCVQSOLFSU-MSOLQXFVSA-N 1 0 310.526 4.362 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC001172504283 1051422266 /nfs/dbraw/zinc/42/22/66/1051422266.db2.gz FZGRJDPDJUQDET-CQSZACIVSA-N 1 0 318.848 4.317 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC(N2CCOC2=O)CC1 ZINC001172503713 1051422351 /nfs/dbraw/zinc/42/23/51/1051422351.db2.gz AECPVAAVFXYTOX-KRWDZBQOSA-N 1 0 324.509 4.432 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001172505742 1051424137 /nfs/dbraw/zinc/42/41/37/1051424137.db2.gz UDKVXILSTGXDLE-KRWDZBQOSA-N 1 0 309.494 4.340 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+][C@H]1CCN(c2ncccn2)C1 ZINC001172506145 1051424287 /nfs/dbraw/zinc/42/42/87/1051424287.db2.gz ONIQLSONDIYMAM-ROUUACIJSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1ccccc1C(N)=O ZINC001172506390 1051424807 /nfs/dbraw/zinc/42/48/07/1051424807.db2.gz SOWGDWGXNBVJRJ-QGZVFWFLSA-N 1 0 304.478 4.404 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC(Oc2cccc(Cl)c2)CC1 ZINC001172507510 1051425209 /nfs/dbraw/zinc/42/52/09/1051425209.db2.gz VMYRTLLMSHUQGX-AWEZNQCLSA-N 1 0 306.837 4.266 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000766439742 1051425308 /nfs/dbraw/zinc/42/53/08/1051425308.db2.gz UDPUUXFDRCOENM-CWLKWCNXSA-N 1 0 300.446 4.282 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001172510417 1051426489 /nfs/dbraw/zinc/42/64/89/1051426489.db2.gz BRITYFTUKVCJCS-SFHVURJKSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[C@@H](CCC)n1cc(C(=O)OCC)c(C[NH3+])n1 ZINC001172509446 1051426529 /nfs/dbraw/zinc/42/65/29/1051426529.db2.gz WUPRCPRCAQAUQR-OAHLLOKOSA-N 1 0 323.481 4.220 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001172509457 1051426914 /nfs/dbraw/zinc/42/69/14/1051426914.db2.gz LZCAQJFOLUNTCZ-GFCCVEGCSA-N 1 0 312.335 4.026 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001172512085 1051428071 /nfs/dbraw/zinc/42/80/71/1051428071.db2.gz YNSVRPJRRIMIGS-QYZOEREBSA-N 1 0 322.537 4.458 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2ncc3ccccc3c2C#N)CC1(C)C ZINC001170454517 1051428287 /nfs/dbraw/zinc/42/82/87/1051428287.db2.gz VUANDTNKPFGZPI-UHFFFAOYSA-N 1 0 322.456 4.170 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001172512061 1051428259 /nfs/dbraw/zinc/42/82/59/1051428259.db2.gz YGQPTVDVEYXZBS-QGZVFWFLSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001172511723 1051428445 /nfs/dbraw/zinc/42/84/45/1051428445.db2.gz VKVAMJAPVKDYNL-MRXNPFEDSA-N 1 0 317.539 4.025 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001172551810 1051435679 /nfs/dbraw/zinc/43/56/79/1051435679.db2.gz BVXVWVCXYJUGBO-QUCCMNQESA-N 1 0 302.421 4.473 20 30 DIEDRO CCCCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC001172565518 1051445219 /nfs/dbraw/zinc/44/52/19/1051445219.db2.gz JNNHJZZCPHNKGH-ZWKOTPCHSA-N 1 0 310.526 4.412 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC001168871558 1051456011 /nfs/dbraw/zinc/45/60/11/1051456011.db2.gz BMWPDENIPUROSA-HXUWFJFHSA-N 1 0 322.452 4.139 20 30 DIEDRO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2cccc3ccccc32)CC1 ZINC001168873701 1051461025 /nfs/dbraw/zinc/46/10/25/1051461025.db2.gz RMOCYJDBXJTJSU-LAUBAEHRSA-N 1 0 321.468 4.067 20 30 DIEDRO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2cccc3ccccc32)CC1 ZINC001168873699 1051461659 /nfs/dbraw/zinc/46/16/59/1051461659.db2.gz RMOCYJDBXJTJSU-DYESRHJHSA-N 1 0 321.468 4.067 20 30 DIEDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC(C)(C)S ZINC001172579793 1051463301 /nfs/dbraw/zinc/46/33/01/1051463301.db2.gz YSIVTCZDGZJGIE-SECBINFHSA-N 1 0 307.837 4.237 20 30 DIEDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC1(C#N)CCC1 ZINC001172577550 1051463435 /nfs/dbraw/zinc/46/34/35/1051463435.db2.gz UUULTAVKWFCPGQ-LLVKDONJSA-N 1 0 312.791 4.223 20 30 DIEDRO CC[C@@H]([NH2+]C1CC(C)(C)OC(C)(C)C1)c1cccc(C#N)c1 ZINC001172652737 1051470273 /nfs/dbraw/zinc/47/02/73/1051470273.db2.gz UIPNEZPRUQRILN-QGZVFWFLSA-N 1 0 300.446 4.335 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC001168981604 1051476975 /nfs/dbraw/zinc/47/69/75/1051476975.db2.gz OWVOEGPYGZZUOW-ZDUSSCGKSA-N 1 0 307.422 4.061 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC001168981603 1051477392 /nfs/dbraw/zinc/47/73/92/1051477392.db2.gz OWVOEGPYGZZUOW-CYBMUJFWSA-N 1 0 307.422 4.061 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)ccc1Cl ZINC001172718015 1051479645 /nfs/dbraw/zinc/47/96/45/1051479645.db2.gz ZMOZIUVWGUCMHW-INIZCTEOSA-N 1 0 317.219 4.122 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000766560286 1051480986 /nfs/dbraw/zinc/48/09/86/1051480986.db2.gz MXVNQRRQYHZZNS-YOEHRIQHSA-N 1 0 309.837 4.038 20 30 DIEDRO CC(C)([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)cc1 ZINC001172709725 1051494274 /nfs/dbraw/zinc/49/42/74/1051494274.db2.gz KCAWTOXRJFRZPZ-GOSISDBHSA-N 1 0 310.828 4.204 20 30 DIEDRO CC(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001169063432 1051502110 /nfs/dbraw/zinc/50/21/10/1051502110.db2.gz YNKHIPGXWFALSM-IBGZPJMESA-N 1 0 310.416 4.444 20 30 DIEDRO CC1(C)C[C@@H](Nc2ncc3ccccc3c2C#N)C[C@@](C)(C[NH3+])C1 ZINC001169141977 1051532976 /nfs/dbraw/zinc/53/29/76/1051532976.db2.gz LRGKYRNXUVTTAU-FOIQADDNSA-N 1 0 322.456 4.062 20 30 DIEDRO Cc1cc(C#N)c(Nc2ccc(C3CC[NH+](C)CC3)cc2)s1 ZINC001212687627 1051539446 /nfs/dbraw/zinc/53/94/46/1051539446.db2.gz DFXAPAWOOSJDKP-UHFFFAOYSA-N 1 0 311.454 4.481 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(F)cn2)cc1 ZINC000766606647 1051539998 /nfs/dbraw/zinc/53/99/98/1051539998.db2.gz FQZIEQSMPOJSEF-ZDUSSCGKSA-N 1 0 320.795 4.203 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(C#N)cc1 ZINC001172854852 1051541686 /nfs/dbraw/zinc/54/16/86/1051541686.db2.gz SZOFOXSSUSYMIH-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C=CCCCCC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001169208164 1051548341 /nfs/dbraw/zinc/54/83/41/1051548341.db2.gz QRJGPSXUIZJXHD-UHFFFAOYSA-N 1 0 313.420 4.116 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000177913213 1051553954 /nfs/dbraw/zinc/55/39/54/1051553954.db2.gz TZXHGGUQTAHRSB-MRXNPFEDSA-N 1 0 310.441 4.248 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000177913431 1051554834 /nfs/dbraw/zinc/55/48/34/1051554834.db2.gz VWSIPABONONHRZ-GFCCVEGCSA-N 1 0 313.272 4.294 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000177907608 1051554958 /nfs/dbraw/zinc/55/49/58/1051554958.db2.gz BNWDOKIVCASPFN-AWEZNQCLSA-N 1 0 322.880 4.040 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)cc1OC ZINC000062424450 1051555694 /nfs/dbraw/zinc/55/56/94/1051555694.db2.gz JZHQNJIADUMHBL-AWEZNQCLSA-N 1 0 315.413 4.321 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000177909334 1051556101 /nfs/dbraw/zinc/55/61/01/1051556101.db2.gz ZMRHGLMMYRZSPL-QGZVFWFLSA-N 1 0 316.489 4.022 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ccccc1C#N ZINC001172874820 1051558319 /nfs/dbraw/zinc/55/83/19/1051558319.db2.gz IVSDMNJXWZEHFU-ZDUSSCGKSA-N 1 0 316.857 4.482 20 30 DIEDRO Cc1ccc(C#N)c(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1 ZINC001212689485 1051567981 /nfs/dbraw/zinc/56/79/81/1051567981.db2.gz AQMZTYOMKKYEQH-UHFFFAOYSA-N 1 0 305.425 4.420 20 30 DIEDRO CC[N@H+](CCCOc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C ZINC001169285900 1051569836 /nfs/dbraw/zinc/56/98/36/1051569836.db2.gz ZQLIXJTWNFEADT-APWZRJJASA-N 1 0 300.446 4.228 20 30 DIEDRO CCCCCCC[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC001168449194 1051572448 /nfs/dbraw/zinc/57/24/48/1051572448.db2.gz YKKSVYDTMTUHTC-UHFFFAOYSA-N 1 0 317.477 4.115 20 30 DIEDRO C=C(C)C[N@@H+](CC)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169304694 1051579730 /nfs/dbraw/zinc/57/97/30/1051579730.db2.gz IMVHXTQTABIPGK-UHFFFAOYSA-N 1 0 301.430 4.053 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001169365217 1051590103 /nfs/dbraw/zinc/59/01/03/1051590103.db2.gz HHFZGAWJNJOYRJ-LEWJYISDSA-N 1 0 304.437 4.102 20 30 DIEDRO C[C@@](C#N)(Nc1ccc2c(N)cc[nH+]c2c1)c1ccccc1Cl ZINC001169388165 1051603901 /nfs/dbraw/zinc/60/39/01/1051603901.db2.gz GIDMXZFZEITAEL-SFHVURJKSA-N 1 0 322.799 4.321 20 30 DIEDRO CC(C)([NH3+])c1ccccc1N[C@@](C)(C#N)c1ccccc1Cl ZINC001169391228 1051606086 /nfs/dbraw/zinc/60/60/86/1051606086.db2.gz UYDXFBIFHXJMSF-SFHVURJKSA-N 1 0 313.832 4.385 20 30 DIEDRO Cc1c(C#N)cccc1Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001216177033 1051611109 /nfs/dbraw/zinc/61/11/09/1051611109.db2.gz ULPBAJGHHBKORU-UHFFFAOYSA-N 1 0 321.424 4.083 20 30 DIEDRO C(#Cc1ccccc1)C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173200749 1051630844 /nfs/dbraw/zinc/63/08/44/1051630844.db2.gz PSXGPYMCMXRMBU-UHFFFAOYSA-N 1 0 305.421 4.018 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cccc3c(C#N)cccc23)c1F ZINC001216223920 1051633871 /nfs/dbraw/zinc/63/38/71/1051633871.db2.gz NEBQGBGOWDGGHW-UHFFFAOYSA-N 1 0 305.356 4.314 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1F ZINC000493543910 1051634886 /nfs/dbraw/zinc/63/48/86/1051634886.db2.gz KOVUUDWMJBHEOD-PXNSSMCTSA-N 1 0 308.400 4.198 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC001173217780 1051635419 /nfs/dbraw/zinc/63/54/19/1051635419.db2.gz GAHFNRKKJSBHHM-IFXJQAMLSA-N 1 0 323.396 4.138 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)C1CCC(Oc2ccccc2)CC1 ZINC001173206696 1051644934 /nfs/dbraw/zinc/64/49/34/1051644934.db2.gz VCDKUCNDLRRYBG-UHFFFAOYSA-N 1 0 320.436 4.380 20 30 DIEDRO CCc1ccc(C[C@H](C)[NH2+]Cc2ccc(Cl)c(C#N)c2)cc1 ZINC001173248449 1051653247 /nfs/dbraw/zinc/65/32/47/1051653247.db2.gz GWGANWZQAAXNTJ-AWEZNQCLSA-N 1 0 312.844 4.495 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001169686883 1051671342 /nfs/dbraw/zinc/67/13/42/1051671342.db2.gz NYJVPBVUJUBJKD-LJQANCHMSA-N 1 0 311.510 4.397 20 30 DIEDRO COc1ccc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)c(CC#N)c1 ZINC001169690931 1051674072 /nfs/dbraw/zinc/67/40/72/1051674072.db2.gz NCLJNTKRAIYWST-GOSISDBHSA-N 1 0 321.424 4.001 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(OCCC#N)cc1 ZINC001169691790 1051675769 /nfs/dbraw/zinc/67/57/69/1051675769.db2.gz QYKQQIDHUMUGNV-LJQANCHMSA-N 1 0 321.424 4.219 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(CCC#N)cc1 ZINC001169699020 1051677063 /nfs/dbraw/zinc/67/70/63/1051677063.db2.gz SIWIVVQLVFUDBG-LJQANCHMSA-N 1 0 305.425 4.383 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc2[nH]c(C#N)cc21 ZINC001169699062 1051677264 /nfs/dbraw/zinc/67/72/64/1051677264.db2.gz UEMURLNPPUTDCL-QGZVFWFLSA-N 1 0 316.408 4.280 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001173309609 1051681930 /nfs/dbraw/zinc/68/19/30/1051681930.db2.gz YCEJDISOAVAIPV-UHFFFAOYSA-N 1 0 313.363 4.309 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH+]1CCN(CCC#N)CC1 ZINC001173310384 1051682258 /nfs/dbraw/zinc/68/22/58/1051682258.db2.gz UETJSZUXZOYJFT-IBGZPJMESA-N 1 0 307.526 4.437 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001173310846 1051684583 /nfs/dbraw/zinc/68/45/83/1051684583.db2.gz ZDMLCODXEOFYHZ-UXHICEINSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001173310847 1051684678 /nfs/dbraw/zinc/68/46/78/1051684678.db2.gz ZDMLCODXEOFYHZ-VQTJNVASSA-N 1 0 324.553 4.312 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC[C@](F)(c3ccccc3)C2)CCC1 ZINC001169745554 1051685542 /nfs/dbraw/zinc/68/55/42/1051685542.db2.gz RGGQFKWHRLAJFL-LJQANCHMSA-N 1 0 300.421 4.421 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC001173313783 1051685703 /nfs/dbraw/zinc/68/57/03/1051685703.db2.gz DZOGRWMPSXWXMB-LYBXBRPPSA-N 1 0 315.457 4.250 20 30 DIEDRO C[C@@H]1CCCCN1c1cccc(NC23CCC(C#N)(CC2)CC3)[nH+]1 ZINC001169748355 1051686102 /nfs/dbraw/zinc/68/61/02/1051686102.db2.gz WDWTXRKYYRWEEH-PBPGXSGUSA-N 1 0 324.472 4.489 20 30 DIEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000805839843 1051688950 /nfs/dbraw/zinc/68/89/50/1051688950.db2.gz UGIOFEJACBSQEK-NVXWUHKLSA-N 1 0 300.446 4.236 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+][C@@H](CO)[C@H]1CCOC1 ZINC001173285677 1051689033 /nfs/dbraw/zinc/68/90/33/1051689033.db2.gz ZWKSBODZEPKPAN-FHWLQOOXSA-N 1 0 313.526 4.283 20 30 DIEDRO N#CCC1CCC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC001173326422 1051692166 /nfs/dbraw/zinc/69/21/66/1051692166.db2.gz YZVAFPQZQBIOCS-RRWXTXHCSA-N 1 0 305.425 4.233 20 30 DIEDRO C=CCOC1CCC([N@@H+](C)C(C)(C)Cc2ccccc2)CC1 ZINC001173322765 1051692661 /nfs/dbraw/zinc/69/26/61/1051692661.db2.gz LPUAGDYVUKPVRM-UHFFFAOYSA-N 1 0 301.474 4.453 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCSc3ccccc3C2)CC1 ZINC001173322617 1051692859 /nfs/dbraw/zinc/69/28/59/1051692859.db2.gz GUPMGCKNMJULMI-UHFFFAOYSA-N 1 0 303.471 4.108 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001173327037 1051693443 /nfs/dbraw/zinc/69/34/43/1051693443.db2.gz BRKNZHZCGWNSCF-KLAILNCOSA-N 1 0 303.421 4.129 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H](CCO)c2cccc3ccccc32)CC1 ZINC001173330844 1051694467 /nfs/dbraw/zinc/69/44/67/1051694467.db2.gz WHQQOMKGSXBJRL-IAYYMHMVSA-N 1 0 322.452 4.325 20 30 DIEDRO CCCCOc1ccc(C[NH2+]C2CCC(CC#N)CC2)cc1 ZINC001173327910 1051694962 /nfs/dbraw/zinc/69/49/62/1051694962.db2.gz KFQLDYAQXQVAJX-UHFFFAOYSA-N 1 0 300.446 4.428 20 30 DIEDRO N#CCC1CCC(n2c3ccccc3c3c2CC[C@H]([NH3+])C3)CC1 ZINC001173329833 1051694970 /nfs/dbraw/zinc/69/49/70/1051694970.db2.gz JVKSSMCKLKJXLG-PCKAHOCUSA-N 1 0 307.441 4.102 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cccc(N3CCCCC3)c2)CC1 ZINC001173326457 1051694984 /nfs/dbraw/zinc/69/49/84/1051694984.db2.gz ZJQBKSDDVPPYDH-UHFFFAOYSA-N 1 0 311.473 4.239 20 30 DIEDRO N#CCC1CCC([NH2+]CC[C@@H]2CCc3ccc4c(c32)CCO4)CC1 ZINC001173329562 1051695535 /nfs/dbraw/zinc/69/55/35/1051695535.db2.gz HJUWDIXBNIKXMR-NXYGQSRBSA-N 1 0 324.468 4.103 20 30 DIEDRO CC(C)(C[NH2+]C1CCC(CC#N)CC1)Cc1ccccc1F ZINC001173332086 1051697051 /nfs/dbraw/zinc/69/70/51/1051697051.db2.gz INSPOZYHYUVQKB-UHFFFAOYSA-N 1 0 302.437 4.456 20 30 DIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc1 ZINC000805901446 1051697294 /nfs/dbraw/zinc/69/72/94/1051697294.db2.gz LHVUZUZXJXWPKE-OAHLLOKOSA-N 1 0 316.445 4.014 20 30 DIEDRO Cc1cccc(OC2CC[NH+](C3CCC(CC#N)CC3)CC2)c1 ZINC001173337533 1051697762 /nfs/dbraw/zinc/69/77/62/1051697762.db2.gz NMSZVKGLEBMUKV-UHFFFAOYSA-N 1 0 312.457 4.311 20 30 DIEDRO Cc1c(Cl)cccc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001216323511 1051698919 /nfs/dbraw/zinc/69/89/19/1051698919.db2.gz ZQVLEYXSIXHWLR-UHFFFAOYSA-N 1 0 317.845 4.313 20 30 DIEDRO N#CCC1CCC([N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001173338352 1051699748 /nfs/dbraw/zinc/69/97/48/1051699748.db2.gz DSGQXVPEQNMCCU-VMWRSERWSA-N 1 0 300.471 4.249 20 30 DIEDRO N#CCC1CCC(n2c3ccc(F)cc3c3c2C[NH2+]CC3)CC1 ZINC001173339414 1051699802 /nfs/dbraw/zinc/69/98/02/1051699802.db2.gz HCZYKCVJYJDUAY-UHFFFAOYSA-N 1 0 311.404 4.071 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173341525 1051701817 /nfs/dbraw/zinc/70/18/17/1051701817.db2.gz YONKGEDIENZOFR-CUYAVPTFSA-N 1 0 312.457 4.347 20 30 DIEDRO CNc1cc(Nc2ccc(-c3ccc(C#N)cc3)cc2)cc[nH+]1 ZINC001216334419 1051704539 /nfs/dbraw/zinc/70/45/39/1051704539.db2.gz FINMXWHEELZPPI-UHFFFAOYSA-N 1 0 300.365 4.406 20 30 DIEDRO O=C1C=C2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)CCC2S1 ZINC001173346801 1051706992 /nfs/dbraw/zinc/70/69/92/1051706992.db2.gz RNYKUJDPHBSNKW-HOTGVXAUSA-N 1 0 305.487 4.154 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](C)c2cccc(OCC)c2)CC1 ZINC001173318371 1051710368 /nfs/dbraw/zinc/71/03/68/1051710368.db2.gz RIXZCMKEYUXYHR-FAEJEUNOSA-N 1 0 303.446 4.250 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2cccc(OC)c2)C2CC2)CC1 ZINC001173317267 1051710502 /nfs/dbraw/zinc/71/05/02/1051710502.db2.gz DZKAPBJWYZOSFC-AFMYVXGZSA-N 1 0 315.457 4.250 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2ccc(-n3cccn3)cc2)CCCC1(C)C ZINC001169843662 1051710665 /nfs/dbraw/zinc/71/06/65/1051710665.db2.gz HBKROHHZJUOLMZ-IBGZPJMESA-N 1 0 309.457 4.439 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2ccc(-n3cccn3)cc2)CCCC1(C)C ZINC001169843663 1051710797 /nfs/dbraw/zinc/71/07/97/1051710797.db2.gz HBKROHHZJUOLMZ-LJQANCHMSA-N 1 0 309.457 4.439 20 30 DIEDRO C=CCOC1CCC([NH2+]CC2(Cc3cccc(F)c3)CC2)CC1 ZINC001173317824 1051711260 /nfs/dbraw/zinc/71/12/60/1051711260.db2.gz OHVSNRKUZUCQFQ-UHFFFAOYSA-N 1 0 317.448 4.252 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001173319745 1051714168 /nfs/dbraw/zinc/71/41/68/1051714168.db2.gz ULSXOAZVVSQQGG-FOIPXRHGSA-N 1 0 305.849 4.299 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173445043 1051727241 /nfs/dbraw/zinc/72/72/41/1051727241.db2.gz OKNSDRFPPPNFHW-HOTGVXAUSA-N 1 0 319.445 4.024 20 30 DIEDRO CC[NH+](CC)Cc1cccc(NC2=CC(=O)CC(C)(C)C2)c1F ZINC001169952486 1051735779 /nfs/dbraw/zinc/73/57/79/1051735779.db2.gz AUYLWYOCDRTAGS-UHFFFAOYSA-N 1 0 318.436 4.352 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC001169953728 1051737090 /nfs/dbraw/zinc/73/70/90/1051737090.db2.gz RBNYELHHQIGDDL-UHFFFAOYSA-N 1 0 317.436 4.451 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1ccc(OCC#N)cc1 ZINC000766933545 1051741005 /nfs/dbraw/zinc/74/10/05/1051741005.db2.gz YKHHDJYZHZFFTL-UHFFFAOYSA-N 1 0 314.454 4.105 20 30 DIEDRO C=CCCCCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000806168385 1051743118 /nfs/dbraw/zinc/74/31/18/1051743118.db2.gz KLKIZAYNIBUKJJ-UHFFFAOYSA-N 1 0 316.489 4.390 20 30 DIEDRO C=CCCCCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000806168243 1051744838 /nfs/dbraw/zinc/74/48/38/1051744838.db2.gz YJTXYHNIJIJZSZ-UHFFFAOYSA-N 1 0 311.473 4.253 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000806174942 1051745632 /nfs/dbraw/zinc/74/56/32/1051745632.db2.gz QLHFLZUCMPLEED-CVEARBPZSA-N 1 0 313.363 4.073 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001173585093 1051753202 /nfs/dbraw/zinc/75/32/02/1051753202.db2.gz ZRGABBHBPJVPFW-UHFFFAOYSA-N 1 0 312.335 4.147 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000806145407 1051753427 /nfs/dbraw/zinc/75/34/27/1051753427.db2.gz BLCBRLVWFQDFOK-NJAFHUGGSA-N 1 0 300.446 4.282 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001173586451 1051753809 /nfs/dbraw/zinc/75/38/09/1051753809.db2.gz RIBZFWGPXGQLBT-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001173585092 1051753822 /nfs/dbraw/zinc/75/38/22/1051753822.db2.gz ZREPKXBYIVDEEN-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001173586494 1051753897 /nfs/dbraw/zinc/75/38/97/1051753897.db2.gz TWEVUEHTQUORHY-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO CC1(C#N)CCC(n2cc(CC[NH3+])c3cc(Cl)ccc32)CC1 ZINC001173584725 1051754356 /nfs/dbraw/zinc/75/43/56/1051754356.db2.gz IRFGHOQIVNVEBH-UHFFFAOYSA-N 1 0 315.848 4.441 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)c1ccccc1 ZINC000806149454 1051754326 /nfs/dbraw/zinc/75/43/26/1051754326.db2.gz SXAQQNGVWOVZKL-HZPDHXFCSA-N 1 0 311.816 4.357 20 30 DIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(C3CCC(C)(C#N)CC3)c2c1 ZINC001173591159 1051755489 /nfs/dbraw/zinc/75/54/89/1051755489.db2.gz UWNSWPQRYWFTID-FVWXCPNNSA-N 1 0 309.457 4.484 20 30 DIEDRO COc1cccc(CC(C)(C)[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC001173591051 1051755519 /nfs/dbraw/zinc/75/55/19/1051755519.db2.gz IBKOGZWGXUCALN-UHFFFAOYSA-N 1 0 300.446 4.078 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001173592753 1051756291 /nfs/dbraw/zinc/75/62/91/1051756291.db2.gz AYBUCTZICIJERO-GULBITTBSA-N 1 0 303.837 4.248 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC001173599905 1051756749 /nfs/dbraw/zinc/75/67/49/1051756749.db2.gz SHMAYLONRVRILC-UHFFFAOYSA-N 1 0 324.468 4.023 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2ncccc2Cl)C2CC2)CC1 ZINC001173593039 1051756901 /nfs/dbraw/zinc/75/69/01/1051756901.db2.gz GXADGEJMTZHPFI-GULBITTBSA-N 1 0 303.837 4.248 20 30 DIEDRO C[N@H+](Cc1ccc(Br)cc1)C1CCC(C)(C#N)CC1 ZINC001173596064 1051758441 /nfs/dbraw/zinc/75/84/41/1051758441.db2.gz ILBHPPLUNYVMJE-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1Cl ZINC000806164737 1051766165 /nfs/dbraw/zinc/76/61/65/1051766165.db2.gz BVHHUWKQNIYQPH-AWEZNQCLSA-N 1 0 318.207 4.037 20 30 DIEDRO C=CCCCCCC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000806167709 1051767779 /nfs/dbraw/zinc/76/77/79/1051767779.db2.gz GHBBNOWMNBYIPG-UHFFFAOYSA-N 1 0 308.510 4.140 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000806167760 1051768657 /nfs/dbraw/zinc/76/86/57/1051768657.db2.gz IUOJZFHZDMITIJ-IBGZPJMESA-N 1 0 315.436 4.375 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000806167860 1051769041 /nfs/dbraw/zinc/76/90/41/1051769041.db2.gz NDFGITVXWGTHQL-HZPDHXFCSA-N 1 0 320.437 4.001 20 30 DIEDRO CCCCCCC[N@H+](CC)C1CCN(CC(F)(F)F)CC1 ZINC001173669195 1051769913 /nfs/dbraw/zinc/76/99/13/1051769913.db2.gz LNRDUNLZEKVTRU-UHFFFAOYSA-N 1 0 308.432 4.305 20 30 DIEDRO C=CCCCCCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000806189895 1051770706 /nfs/dbraw/zinc/77/07/06/1051770706.db2.gz ZWBFQQWRQZUUNL-UHFFFAOYSA-N 1 0 303.450 4.006 20 30 DIEDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)CCC#N)cnn1-c1ccccc1 ZINC000806178754 1051772592 /nfs/dbraw/zinc/77/25/92/1051772592.db2.gz XWIVQVQGZUIGFA-OAHLLOKOSA-N 1 0 310.445 4.161 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc2c(c1)CCCO2 ZINC000806178332 1051772854 /nfs/dbraw/zinc/77/28/54/1051772854.db2.gz SFKQOQCQNRASEY-KRWDZBQOSA-N 1 0 300.446 4.382 20 30 DIEDRO C=CC[N@@H+](C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)C(C)(C)C ZINC001173684513 1051774997 /nfs/dbraw/zinc/77/49/97/1051774997.db2.gz VVCCCRRAMCZOBS-HUUCEWRRSA-N 1 0 324.509 4.449 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173690722 1051782665 /nfs/dbraw/zinc/78/26/65/1051782665.db2.gz ZFOAKCTYPUUBCJ-OCDPCBSRSA-N 1 0 308.469 4.439 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000185802748 1051783577 /nfs/dbraw/zinc/78/35/77/1051783577.db2.gz AHLOZLLNFIABLZ-IEBWSBKVSA-N 1 0 320.436 4.404 20 30 DIEDRO C#CCCC[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173701411 1051784106 /nfs/dbraw/zinc/78/41/06/1051784106.db2.gz YWDZANQNDDFSLM-NRFANRHFSA-N 1 0 319.448 4.126 20 30 DIEDRO CC(C)(C)n1cc(C#N)cc1Nc1c[nH+]cn1Cc1ccccc1 ZINC001216550162 1051814117 /nfs/dbraw/zinc/81/41/17/1051814117.db2.gz OIELAUYWTUEQHG-UHFFFAOYSA-N 1 0 319.412 4.103 20 30 DIEDRO CC(C)(C#N)c1cccc(Nc2c[nH+]cn2Cc2ccccc2)c1 ZINC001216553506 1051815251 /nfs/dbraw/zinc/81/52/51/1051815251.db2.gz PNQVIFGJPRDTAP-UHFFFAOYSA-N 1 0 316.408 4.476 20 30 DIEDRO C=C(C)[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000186454023 1051817548 /nfs/dbraw/zinc/81/75/48/1051817548.db2.gz GZCPFCVEVJZRTH-GOSISDBHSA-N 1 0 322.443 4.435 20 30 DIEDRO Cc1cc(C)c(Nc2c[nH+]cn2Cc2ccccc2)cc1C#N ZINC001216554928 1051818970 /nfs/dbraw/zinc/81/89/70/1051818970.db2.gz QMWDSFXWMJONFD-UHFFFAOYSA-N 1 0 302.381 4.164 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@H](C)c1cccc(CO)c1)c1ccc(F)c(F)c1 ZINC000186448812 1051819073 /nfs/dbraw/zinc/81/90/73/1051819073.db2.gz AIYPKSGYHHRKQV-BFUOFWGJSA-N 1 0 317.379 4.425 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000187375175 1051842888 /nfs/dbraw/zinc/84/28/88/1051842888.db2.gz MFPLPCZHHRZIOC-SFHVURJKSA-N 1 0 303.352 4.380 20 30 DIEDRO CCCCCCCC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000767895431 1051861203 /nfs/dbraw/zinc/86/12/03/1051861203.db2.gz PMUPABAXRIZEDV-HNNXBMFYSA-N 1 0 309.416 4.372 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCC2)cc1 ZINC000767901464 1051865177 /nfs/dbraw/zinc/86/51/77/1051865177.db2.gz HQMGWFMQLIQYPM-PMACEKPBSA-N 1 0 312.457 4.026 20 30 DIEDRO CCc1ccc(C[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000768162785 1051889510 /nfs/dbraw/zinc/88/95/10/1051889510.db2.gz ILGBSYNFRPLDKX-INIZCTEOSA-N 1 0 308.425 4.172 20 30 DIEDRO CCc1ccc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000768162356 1051892688 /nfs/dbraw/zinc/89/26/88/1051892688.db2.gz CMKQQLLDYUUPKT-UHFFFAOYSA-N 1 0 321.468 4.231 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)Cc2ccccc21 ZINC000768195066 1051900142 /nfs/dbraw/zinc/90/01/42/1051900142.db2.gz KJCCMYZYTTWPKB-QGZVFWFLSA-N 1 0 319.452 4.156 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1 ZINC000768194119 1051901238 /nfs/dbraw/zinc/90/12/38/1051901238.db2.gz ZZTNBFMPGLAJRN-IIBYNOLFSA-N 1 0 320.436 4.487 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1cccc(C(F)(F)F)c1C#N ZINC001173932986 1051905201 /nfs/dbraw/zinc/90/52/01/1051905201.db2.gz WTLPKXWTSLVGBQ-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cncc3ccccc32)C2CC2)cc1 ZINC000768256315 1051908861 /nfs/dbraw/zinc/90/88/61/1051908861.db2.gz BUNSLLJQULHOQB-UHFFFAOYSA-N 1 0 313.404 4.271 20 30 DIEDRO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cnc1Cl ZINC000768257577 1051909735 /nfs/dbraw/zinc/90/97/35/1051909735.db2.gz NBYZVOUSKZQRIO-UHFFFAOYSA-N 1 0 311.816 4.080 20 30 DIEDRO CS[C@@H]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000768400881 1051925061 /nfs/dbraw/zinc/92/50/61/1051925061.db2.gz AUWHHLFHRPBVEL-QGLXBCBXSA-N 1 0 314.498 4.264 20 30 DIEDRO C#Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000768662941 1051953014 /nfs/dbraw/zinc/95/30/14/1051953014.db2.gz DWSDMZLVIQMFGS-LAUBAEHRSA-N 1 0 304.437 4.133 20 30 DIEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNCC2CCCC2)CC1 ZINC000808005555 1051964516 /nfs/dbraw/zinc/96/45/16/1051964516.db2.gz GHKSORVCHLLBQV-UHFFFAOYSA-N 1 0 313.489 4.197 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](CC)[C@@H](C)c2cccc(O)c2)cc1 ZINC000768872182 1051975508 /nfs/dbraw/zinc/97/55/08/1051975508.db2.gz FMSDOWGBLQCFAI-KRWDZBQOSA-N 1 0 323.436 4.377 20 30 DIEDRO CC(C)Oc1ccc([C@H](CNc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000808086479 1051976279 /nfs/dbraw/zinc/97/62/79/1051976279.db2.gz CTLUSOWQMKFHIJ-FQEVSTJZSA-N 1 0 323.440 4.060 20 30 DIEDRO N#CCC[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000494603698 1051980099 /nfs/dbraw/zinc/98/00/99/1051980099.db2.gz NIOXTQOQYMBUOW-OALUTQOASA-N 1 0 306.409 4.015 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1F ZINC000192100183 1051996320 /nfs/dbraw/zinc/99/63/20/1051996320.db2.gz FQDDJSFHGDZHRJ-UHFFFAOYSA-N 1 0 312.363 4.396 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(C)(C)C)CC2)cc1 ZINC000769208628 1052009242 /nfs/dbraw/zinc/00/92/42/1052009242.db2.gz NBDTXMCGNLTLIR-HNNXBMFYSA-N 1 0 300.446 4.236 20 30 DIEDRO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769234542 1052011968 /nfs/dbraw/zinc/01/19/68/1052011968.db2.gz UKAKFIJEUIFXHE-PKOBYXMFSA-N 1 0 320.436 4.275 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000192975277 1052025659 /nfs/dbraw/zinc/02/56/59/1052025659.db2.gz FWYSQEALZHPUMI-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C12CCCCC2 ZINC001170005302 1052026355 /nfs/dbraw/zinc/02/63/55/1052026355.db2.gz VNSWHBYROBVXTN-ATZDWAIDSA-N 1 0 312.457 4.337 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000769379138 1052034923 /nfs/dbraw/zinc/03/49/23/1052034923.db2.gz JPTJAIAEIDKLRG-NVXWUHKLSA-N 1 0 324.399 4.106 20 30 DIEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769403286 1052041116 /nfs/dbraw/zinc/04/11/16/1052041116.db2.gz BTLVCHJEWRKEDB-YVWKXTFCSA-N 1 0 311.473 4.189 20 30 DIEDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769484492 1052052441 /nfs/dbraw/zinc/05/24/41/1052052441.db2.gz KDHNBVBKCITBBJ-WMZOPIPTSA-N 1 0 300.446 4.378 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CCC(C)(C)CC2)cc1 ZINC000769448475 1052055489 /nfs/dbraw/zinc/05/54/89/1052055489.db2.gz RYZWJODKUPVDBB-HNNXBMFYSA-N 1 0 300.446 4.378 20 30 DIEDRO N#Cc1c(Cl)c(Cl)ccc1Nc1ccc2[nH+]ccn2c1 ZINC001174280196 1052068149 /nfs/dbraw/zinc/06/81/49/1052068149.db2.gz UMUIQKAWLPEQKW-UHFFFAOYSA-N 1 0 303.152 4.256 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)cc1 ZINC000769503371 1052069719 /nfs/dbraw/zinc/06/97/19/1052069719.db2.gz IWOXUBYHCSQEHJ-LAUBAEHRSA-N 1 0 320.436 4.141 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000769508556 1052072518 /nfs/dbraw/zinc/07/25/18/1052072518.db2.gz RQMJOPWDXUFJSX-FQEVSTJZSA-N 1 0 323.415 4.123 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccncc1 ZINC000769519983 1052074692 /nfs/dbraw/zinc/07/46/92/1052074692.db2.gz VCDJLCJGVPDPEI-GOSISDBHSA-N 1 0 324.424 4.134 20 30 DIEDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000769550054 1052081009 /nfs/dbraw/zinc/08/10/09/1052081009.db2.gz YPLMBZTWHLEXPW-RTWAWAEBSA-N 1 0 319.452 4.024 20 30 DIEDRO CCC[C@@H](C=[NH+]n1cnnc1-c1ccccc1)c1ccccc1 ZINC000769568627 1052083530 /nfs/dbraw/zinc/08/35/30/1052083530.db2.gz BDPOQLXXDZIWGD-SFHVURJKSA-N 1 0 304.397 4.363 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCc3c(C)ccc(C)c32)cc1C#N ZINC000769975008 1052132848 /nfs/dbraw/zinc/13/28/48/1052132848.db2.gz YWPUMCSFVDYAIK-IBGZPJMESA-N 1 0 320.436 4.351 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000769992827 1052138844 /nfs/dbraw/zinc/13/88/44/1052138844.db2.gz DMONEWYXSHMHLV-HNNXBMFYSA-N 1 0 323.864 4.021 20 30 DIEDRO C[C@H](OCc1ccc(-c2ccccc2C#N)cc1)C1CC[NH2+]CC1 ZINC001217779869 1052140863 /nfs/dbraw/zinc/14/08/63/1052140863.db2.gz YJSIMBAMGKTJQK-INIZCTEOSA-N 1 0 320.436 4.130 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000770006598 1052141133 /nfs/dbraw/zinc/14/11/33/1052141133.db2.gz YNDIRZLFIIXILK-GIPNMCIBSA-N 1 0 311.212 4.099 20 30 DIEDRO CCCCCCCCCCCCO[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001217799819 1052145507 /nfs/dbraw/zinc/14/55/07/1052145507.db2.gz JVQSVRMAVDXNLH-GOSISDBHSA-N 1 0 311.510 4.445 20 30 DIEDRO c1ccc(/N=C(/O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2)cc1 ZINC001217813533 1052148142 /nfs/dbraw/zinc/14/81/42/1052148142.db2.gz CMFMDLYAYLFCRV-LISWAXQJSA-N 1 0 320.436 4.170 20 30 DIEDRO c1ccc(/N=C(/O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC001217825873 1052149493 /nfs/dbraw/zinc/14/94/93/1052149493.db2.gz YFHDFWKAXPXNKL-IRYTYJROSA-N 1 0 306.409 4.065 20 30 DIEDRO C[Si](C)(C)C#C[C@H](OC[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001217832857 1052151204 /nfs/dbraw/zinc/15/12/04/1052151204.db2.gz LCRAOKMPGCQYSX-WDSOQIARSA-N 1 0 315.533 4.143 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C)[C@H](OCC[C@@H]([NH3+])c2ccc(OC)cc2)C1 ZINC001217836948 1052153160 /nfs/dbraw/zinc/15/31/60/1052153160.db2.gz JSNRNAGHUKNQAN-MISYRCLQSA-N 1 0 315.457 4.403 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C)[C@@H](OCC[C@H]([NH3+])c2ccc(OC)cc2)C1 ZINC001217836947 1052153394 /nfs/dbraw/zinc/15/33/94/1052153394.db2.gz JSNRNAGHUKNQAN-HOJAQTOUSA-N 1 0 315.457 4.403 20 30 DIEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761759440 1052153791 /nfs/dbraw/zinc/15/37/91/1052153791.db2.gz OQBOLHBXZBHPPF-UZLBHIALSA-N 1 0 306.409 4.001 20 30 DIEDRO N#C[C@@H](OCC[C@@H]1CC[NH2+]C1)c1cccc(Oc2ccccc2)c1 ZINC001217869873 1052158265 /nfs/dbraw/zinc/15/82/65/1052158265.db2.gz GSCIJAZIAGOHKB-OXJNMPFZSA-N 1 0 322.408 4.060 20 30 DIEDRO CCCCCCCC[C@H](C)OC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217891374 1052164018 /nfs/dbraw/zinc/16/40/18/1052164018.db2.gz OPXNPIJNUBISCR-ROUUACIJSA-N 1 0 311.510 4.301 20 30 DIEDRO CCCCCCC[C@@H](CC)OC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217889877 1052164645 /nfs/dbraw/zinc/16/46/45/1052164645.db2.gz FAQMBSUXSYQQOU-MSOLQXFVSA-N 1 0 311.510 4.301 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217891888 1052166024 /nfs/dbraw/zinc/16/60/24/1052166024.db2.gz YFAGGDZVWKZPKB-INIZCTEOSA-N 1 0 323.436 4.175 20 30 DIEDRO C(#C[C@@H](OCCC1CC[NH2+]CC1)c1ccccc1)c1ccccc1 ZINC001217927684 1052172232 /nfs/dbraw/zinc/17/22/32/1052172232.db2.gz JRXSQEGDMDXQAE-JOCHJYFZSA-N 1 0 319.448 4.186 20 30 DIEDRO O=C(/C=C/c1ccccc1)c1ccc(O[C@H]2CCCC[NH2+]C2)cc1 ZINC001217970552 1052177473 /nfs/dbraw/zinc/17/74/73/1052177473.db2.gz NPEQZVBATSNOOH-PCLFDXGNSA-N 1 0 321.420 4.104 20 30 DIEDRO O=C(/C=C/c1ccccc1O[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001217970547 1052178533 /nfs/dbraw/zinc/17/85/33/1052178533.db2.gz NJUABWPJMFSSMM-JKIKYLSZSA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001217990157 1052180980 /nfs/dbraw/zinc/18/09/80/1052180980.db2.gz HTQCIDJVGGDLDK-QJBAKISVSA-N 1 0 308.425 4.204 20 30 DIEDRO O=C(/C=C/c1ccc(O[C@@H]2CCC[NH2+]CC2)cc1)c1ccccc1 ZINC001217996226 1052182789 /nfs/dbraw/zinc/18/27/89/1052182789.db2.gz XPIIADQVGPAWGV-YFPIXMDGSA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001218029629 1052187980 /nfs/dbraw/zinc/18/79/80/1052187980.db2.gz DMVUBICTJIFANZ-IHZYURKVSA-N 1 0 308.425 4.204 20 30 DIEDRO CCCCCCCOc1ccc(OC2CC3(C[NH2+]C3)C2)cc1 ZINC001218056132 1052190912 /nfs/dbraw/zinc/19/09/12/1052190912.db2.gz NAJLULWQBKLVJM-UHFFFAOYSA-N 1 0 303.446 4.167 20 30 DIEDRO C[C@@H]1C[C@@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001218055734 1052191300 /nfs/dbraw/zinc/19/13/00/1052191300.db2.gz JGCOMYQBTQBBGL-QMWVCCDLSA-N 1 0 321.420 4.102 20 30 DIEDRO N#Cc1cccc(-c2ccc(O[C@@H]3CCC[C@]34CC[NH2+]C4)cc2)c1 ZINC001218093922 1052196561 /nfs/dbraw/zinc/19/65/61/1052196561.db2.gz LXONTYYGWNYONW-NHCUHLMSSA-N 1 0 318.420 4.136 20 30 DIEDRO N#Cc1ccc(-c2cccc(O[C@H]3CCC[C@@]34CC[NH2+]C4)c2)cc1 ZINC001218098973 1052197753 /nfs/dbraw/zinc/19/77/53/1052197753.db2.gz ZHZDLSARCFDKMG-SFTDATJTSA-N 1 0 318.420 4.136 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218147297 1052201852 /nfs/dbraw/zinc/20/18/52/1052201852.db2.gz VGFPYOGXAWLTGJ-LKUPVBHCSA-N 1 0 320.436 4.204 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc1 ZINC001218146541 1052201991 /nfs/dbraw/zinc/20/19/91/1052201991.db2.gz ATMTYRPZWYESJI-YRWFTTLQSA-N 1 0 315.457 4.217 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC001218185804 1052204190 /nfs/dbraw/zinc/20/41/90/1052204190.db2.gz IAGSNZICKSGGJO-ICZYSZSNSA-N 1 0 324.399 4.238 20 30 DIEDRO C[NH2+][C@H]1CC[C@H](Oc2ccccc2C=NNc2ccccc2)CC1 ZINC001218189879 1052205563 /nfs/dbraw/zinc/20/55/63/1052205563.db2.gz MUUQNWPKCXGERR-UAPYVXQJSA-N 1 0 323.440 4.042 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@H]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001218238577 1052210246 /nfs/dbraw/zinc/21/02/46/1052210246.db2.gz QDUVVIGCZGIXCW-DOUQRPAJSA-N 1 0 324.399 4.097 20 30 DIEDRO F[C@@H]1[C@H]2CC[C@@H](C[C@H]1Oc1ccc(/N=C/c3ccccc3)cc1)[NH2+]2 ZINC001218281158 1052217283 /nfs/dbraw/zinc/21/72/83/1052217283.db2.gz VVXGCDJNVIJMAY-WJQSOYQGSA-N 1 0 324.399 4.047 20 30 DIEDRO C[NH+](C)Cc1cccc(C/N=C/c2c(O)ccc3ccccc32)c1 ZINC000914701921 1052220849 /nfs/dbraw/zinc/22/08/49/1052220849.db2.gz RRJSLAFNOCQMIF-HYARGMPZSA-N 1 0 318.420 4.226 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218308257 1052222192 /nfs/dbraw/zinc/22/21/92/1052222192.db2.gz GEIQVPOESRDUJM-LJQANCHMSA-N 1 0 320.436 4.491 20 30 DIEDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001218311282 1052223115 /nfs/dbraw/zinc/22/31/15/1052223115.db2.gz IOLIQMNOKOIMPU-LJQANCHMSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@@H]1CC[C@@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C[NH2+]1 ZINC001218399836 1052234117 /nfs/dbraw/zinc/23/41/17/1052234117.db2.gz BUTIUJCFHDAHIY-CZEPXGMWSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@H]1CC[C@@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C[NH2+]1 ZINC001218399838 1052234470 /nfs/dbraw/zinc/23/44/70/1052234470.db2.gz BUTIUJCFHDAHIY-SJPPTIKESA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@H]1CC[C@H](Oc2ccccc2C=Nc2ccc(F)cc2)C[NH2+]1 ZINC001218406244 1052235521 /nfs/dbraw/zinc/23/55/21/1052235521.db2.gz MYLQXJASDVBDPO-KSSFIOAISA-N 1 0 312.388 4.096 20 30 DIEDRO C[C@@H]1CC[C@@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C[NH2+]1 ZINC001218407945 1052236302 /nfs/dbraw/zinc/23/63/02/1052236302.db2.gz RVJKZFWFXLKELJ-FVKFTXSFSA-N 1 0 321.420 4.102 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000130559857 1052237563 /nfs/dbraw/zinc/23/75/63/1052237563.db2.gz RVAYFIYZAQHWAR-SCLBCKFNSA-N 1 0 314.816 4.077 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1Br ZINC000229676124 1052238348 /nfs/dbraw/zinc/23/83/48/1052238348.db2.gz DSRPDSWXZWBTPZ-GFCCVEGCSA-N 1 0 309.251 4.430 20 30 DIEDRO [NH3+]Cc1cccc(O[C@@H](C#Cc2ccccc2)c2ccccc2)c1 ZINC001218439129 1052240356 /nfs/dbraw/zinc/24/03/56/1052240356.db2.gz QXNRTULLHVQBDK-QFIPXVFZSA-N 1 0 313.400 4.317 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(Cl)c(OC)c(Cl)c1 ZINC001218457392 1052241003 /nfs/dbraw/zinc/24/10/03/1052241003.db2.gz MJGUCJNZHNRGFF-ZIAGYGMSSA-N 1 0 316.228 4.078 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(O)ccc1Cc1ccccc1 ZINC001218454788 1052241462 /nfs/dbraw/zinc/24/14/62/1052241462.db2.gz BWQLQPIVSBRVIF-WOJBJXKFSA-N 1 0 323.436 4.059 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(Cl)cccc1C(F)(F)F ZINC001218456750 1052242024 /nfs/dbraw/zinc/24/20/24/1052242024.db2.gz WKLKSAYNDGXPKL-CHWSQXEVSA-N 1 0 319.754 4.434 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(Cl)cc1-c1ccno1 ZINC001218451478 1052241715 /nfs/dbraw/zinc/24/17/15/1052241715.db2.gz CSABXOPXBTVVTM-RHSMWYFYSA-N 1 0 318.804 4.071 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccccc1OCc1ccccc1 ZINC001218456582 1052241908 /nfs/dbraw/zinc/24/19/08/1052241908.db2.gz PFZPMAXBYJOHLH-RTBURBONSA-N 1 0 323.436 4.341 20 30 DIEDRO CC(C)(C)c1cccc(C#N)c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218489949 1052249817 /nfs/dbraw/zinc/24/98/17/1052249817.db2.gz QBVYQOJDQDKCTK-SFHVURJKSA-N 1 0 306.409 4.079 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218710650 1052254630 /nfs/dbraw/zinc/25/46/30/1052254630.db2.gz GTWIRKYRPIOETC-ZIAGYGMSSA-N 1 0 307.438 4.034 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219825194 1052305893 /nfs/dbraw/zinc/30/58/93/1052305893.db2.gz DZGYPNFOPOBVEM-DZGCQCFKSA-N 1 0 308.491 4.005 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000324390627 1052309848 /nfs/dbraw/zinc/30/98/48/1052309848.db2.gz PYAMUACPJIWMQI-HOTGVXAUSA-N 1 0 324.424 4.399 20 30 DIEDRO CCc1ccccc1NN=C(C)c1ccc(-n2ccnc2)cc1 ZINC000915051843 1052329062 /nfs/dbraw/zinc/32/90/62/1052329062.db2.gz VBWFECAWVKASJP-UHFFFAOYSA-N 1 0 304.397 4.271 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000315386287 1052336771 /nfs/dbraw/zinc/33/67/71/1052336771.db2.gz KOLDVOQSRKJNMF-IKGGRYGDSA-N 1 0 300.446 4.456 20 30 DIEDRO CCC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccn1 ZINC000609223054 1052453407 /nfs/dbraw/zinc/45/34/07/1052453407.db2.gz ZMRZEUWNRGYQKE-IBGZPJMESA-N 1 0 323.440 4.395 20 30 DIEDRO Cc1cc(Br)cc(C)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001235787637 1052514171 /nfs/dbraw/zinc/51/41/71/1052514171.db2.gz FLRSYVAMIOQHBX-CQSZACIVSA-N 1 0 321.262 4.192 20 30 DIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000153358698 1052524321 /nfs/dbraw/zinc/52/43/21/1052524321.db2.gz UFRVXJFDTUJAGC-INIZCTEOSA-N 1 0 308.425 4.334 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000763229879 1052549867 /nfs/dbraw/zinc/54/98/67/1052549867.db2.gz DXGRFTYDKLYYPB-WOJBJXKFSA-N 1 0 322.452 4.359 20 30 DIEDRO Cc1cccc([C@@H](C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000153980956 1052606828 /nfs/dbraw/zinc/60/68/28/1052606828.db2.gz AQZZZDXWPXUFDF-IRXDYDNUSA-N 1 0 308.425 4.179 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(F)cc1F ZINC000488129851 1052616139 /nfs/dbraw/zinc/61/61/39/1052616139.db2.gz ORATXDUHAZMWMJ-SFHVURJKSA-N 1 0 300.352 4.386 20 30 DIEDRO C=C[C@@H](C)OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001223629536 1052621987 /nfs/dbraw/zinc/62/19/87/1052621987.db2.gz MHNPHKWNYUNLHJ-QGZVFWFLSA-N 1 0 303.446 4.033 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CC2CCCCC2)cc1 ZINC000763406220 1052624138 /nfs/dbraw/zinc/62/41/38/1052624138.db2.gz HCKDAPPMRDFHSG-UXHICEINSA-N 1 0 312.457 4.026 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000763409885 1052625104 /nfs/dbraw/zinc/62/51/04/1052625104.db2.gz VFYCWUYEKQCQMH-PMACEKPBSA-N 1 0 308.425 4.065 20 30 DIEDRO CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000763409880 1052625227 /nfs/dbraw/zinc/62/52/27/1052625227.db2.gz VFIXBZISVHRERM-UWJYYQICSA-N 1 0 322.452 4.455 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000123966631 1052636318 /nfs/dbraw/zinc/63/63/18/1052636318.db2.gz WIBNCYINKNVWQE-UHFFFAOYSA-N 1 0 319.351 4.143 20 30 DIEDRO C[C@@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000619720354 1052654811 /nfs/dbraw/zinc/65/48/11/1052654811.db2.gz DGTZMHWBLSZTST-XJKSGUPXSA-N 1 0 310.363 4.435 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000125935256 1052657155 /nfs/dbraw/zinc/65/71/55/1052657155.db2.gz RXQCLGAZPSAHCA-HNNXBMFYSA-N 1 0 302.462 4.036 20 30 DIEDRO CCCCCCC[NH2+]Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000916831910 1052657374 /nfs/dbraw/zinc/65/73/74/1052657374.db2.gz ALRKJTJGYVPMAV-UHFFFAOYSA-N 1 0 301.434 4.145 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000916839544 1052659368 /nfs/dbraw/zinc/65/93/68/1052659368.db2.gz FBILMKRYSFOHOM-UHFFFAOYSA-N 1 0 323.436 4.023 20 30 DIEDRO C[C@@H](O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccc(F)cc1 ZINC001224009280 1052659865 /nfs/dbraw/zinc/65/98/65/1052659865.db2.gz GHFORKKEWJGDSV-FOIQADDNSA-N 1 0 324.399 4.049 20 30 DIEDRO C[N@@H+]1CCC[C@H](O/C(=N/c2ccccc2)c2ccccc2)CC1 ZINC001224088061 1052666928 /nfs/dbraw/zinc/66/69/28/1052666928.db2.gz SXVSCVRWIDJISX-GEXZYOHASA-N 1 0 308.425 4.266 20 30 DIEDRO c1ccc(/N=C(/OC2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC001224084711 1052667097 /nfs/dbraw/zinc/66/70/97/1052667097.db2.gz AAZZKWZHNXRJTG-QURGRASLSA-N 1 0 320.436 4.408 20 30 DIEDRO C[NH+](C)CC[C@@H](O[C@H](CC#N)c1ccccc1)c1ccccc1 ZINC001224132601 1052671098 /nfs/dbraw/zinc/67/10/98/1052671098.db2.gz DPUUBHQQQOAJDN-WOJBJXKFSA-N 1 0 308.425 4.351 20 30 DIEDRO C[NH+](C)CC[C@@H](O[C@@H](CC#N)c1ccccc1)c1ccccc1 ZINC001224132600 1052671151 /nfs/dbraw/zinc/67/11/51/1052671151.db2.gz DPUUBHQQQOAJDN-VQTJNVASSA-N 1 0 308.425 4.351 20 30 DIEDRO C[C@@H](O[C@@H](CC[NH+](C)C)c1ccccc1)c1ccccc1C#N ZINC001224132661 1052671777 /nfs/dbraw/zinc/67/17/77/1052671777.db2.gz FOXDHHHAUXGTTB-UZLBHIALSA-N 1 0 308.425 4.329 20 30 DIEDRO C[NH+](C)CC[C@@H](O[C@@H](C#N)c1cccc(F)c1)c1ccccc1 ZINC001224136977 1052672039 /nfs/dbraw/zinc/67/20/39/1052672039.db2.gz PZQKEIKCBGEZMS-MOPGFXCFSA-N 1 0 312.388 4.100 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1C#N ZINC000917074643 1052691399 /nfs/dbraw/zinc/69/13/99/1052691399.db2.gz DYYYYWSQGQUISM-UHFFFAOYSA-N 1 0 307.441 4.035 20 30 DIEDRO C=CCN(Cc1csc(-c2cccc(OC)c2)n1)C(C)C ZINC000917070811 1052692129 /nfs/dbraw/zinc/69/21/29/1052692129.db2.gz GBWDFBXBDZUWNT-UHFFFAOYSA-N 1 0 302.443 4.215 20 30 DIEDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](OCCCCCCC#N)C1 ZINC001224376679 1052692147 /nfs/dbraw/zinc/69/21/47/1052692147.db2.gz URAORGSTMTWJRL-MSOLQXFVSA-N 1 0 315.461 4.098 20 30 DIEDRO C=CCCCCCO[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001224427971 1052696408 /nfs/dbraw/zinc/69/64/08/1052696408.db2.gz OBSZZDXPRBCKOO-UYAOXDASSA-N 1 0 317.473 4.039 20 30 DIEDRO C=CCCCCCCCO[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001224508537 1052703479 /nfs/dbraw/zinc/70/34/79/1052703479.db2.gz YWDQPVNJOWCXNE-WGSAOQKQSA-N 1 0 309.494 4.173 20 30 DIEDRO C[C@H](CS)OCC[S+](c1ccccc1)c1ccccc1 ZINC001224638500 1052711718 /nfs/dbraw/zinc/71/17/18/1052711718.db2.gz ASPXPFFRRLRHFG-OAHLLOKOSA-O 1 0 305.488 4.058 20 30 DIEDRO C=CCN(CC(=O)Nc1ccccc1Oc1ccccc1)C(C)C ZINC000917167052 1052713475 /nfs/dbraw/zinc/71/34/75/1052713475.db2.gz QOAFAEGQXUJEFP-UHFFFAOYSA-N 1 0 324.424 4.314 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1CO[C@H](C#Cc1ccccc1)c1ccccc1 ZINC001224705241 1052717824 /nfs/dbraw/zinc/71/78/24/1052717824.db2.gz DRZZHKNTLVINKM-FCHUYYIVSA-N 1 0 319.448 4.280 20 30 DIEDRO C=C(COC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001224734535 1052721224 /nfs/dbraw/zinc/72/12/24/1052721224.db2.gz QCEOMZFBVCFHKY-UHFFFAOYSA-N 1 0 307.437 4.381 20 30 DIEDRO N#CC1CCC(C[N@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000929973122 1052721770 /nfs/dbraw/zinc/72/17/70/1052721770.db2.gz WNBWFBQMICTCKO-UHFFFAOYSA-N 1 0 324.424 4.317 20 30 DIEDRO C#C[C@H](OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224829367 1052729525 /nfs/dbraw/zinc/72/95/25/1052729525.db2.gz JAKYKQSBDCTGER-UNMCSNQZSA-N 1 0 319.448 4.290 20 30 DIEDRO C[NH+](C)CCCCO[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC001224991023 1052740584 /nfs/dbraw/zinc/74/05/84/1052740584.db2.gz LPMQTAHBXBKJDS-HXUWFJFHSA-N 1 0 324.424 4.402 20 30 DIEDRO N#Cc1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001225199720 1052753303 /nfs/dbraw/zinc/75/33/03/1052753303.db2.gz SUBAGJASCOTMKK-PMOLBWCYSA-N 1 0 318.420 4.133 20 30 DIEDRO N#Cc1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001225223035 1052758637 /nfs/dbraw/zinc/75/86/37/1052758637.db2.gz DVUNKOZEVHFTMI-KXTWHKPSSA-N 1 0 318.420 4.133 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(C#N)cc1 ZINC001225242739 1052761839 /nfs/dbraw/zinc/76/18/39/1052761839.db2.gz HISNRKFJYZHDRW-HXUWFJFHSA-N 1 0 320.436 4.238 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(C#N)cc1 ZINC001225242736 1052762065 /nfs/dbraw/zinc/76/20/65/1052762065.db2.gz HISNRKFJYZHDRW-FQEVSTJZSA-N 1 0 320.436 4.238 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](Oc2ccc(C[NH+](C)C)cc2)C(C)(C)O1 ZINC001225335370 1052776597 /nfs/dbraw/zinc/77/65/97/1052776597.db2.gz ZZWPAOWUJUQGFK-IEBWSBKVSA-N 1 0 303.446 4.029 20 30 DIEDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225335419 1052776701 /nfs/dbraw/zinc/77/67/01/1052776701.db2.gz UXXRVHVAFOLGFW-HXUWFJFHSA-N 1 0 306.409 4.087 20 30 DIEDRO CC(C)[N@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000154660475 1052786575 /nfs/dbraw/zinc/78/65/75/1052786575.db2.gz ZJMCHSXSVWKBCA-QGZVFWFLSA-N 1 0 308.425 4.388 20 30 DIEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000609280823 1052805598 /nfs/dbraw/zinc/80/55/98/1052805598.db2.gz QJLRESQNPOQMHM-LJQANCHMSA-N 1 0 306.409 4.294 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)CC2 ZINC000556211384 1052821078 /nfs/dbraw/zinc/82/10/78/1052821078.db2.gz CIFWUHGAZMKDFZ-LEWJYISDSA-N 1 0 302.421 4.329 20 30 DIEDRO CCCCCCCCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000918695732 1052825105 /nfs/dbraw/zinc/82/51/05/1052825105.db2.gz CLKSFRHYIKJTMR-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO Cc1ccc(C2=CC[N@H+](CCOc3ccccc3C#N)CC2)cc1 ZINC000918736466 1052828974 /nfs/dbraw/zinc/82/89/74/1052828974.db2.gz NXJOMPKKOYGQIR-UHFFFAOYSA-N 1 0 318.420 4.035 20 30 DIEDRO CC1(C)CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000556890426 1052894801 /nfs/dbraw/zinc/89/48/01/1052894801.db2.gz PVFRGPVESKYXAA-GOSISDBHSA-N 1 0 311.473 4.085 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000920183123 1052926077 /nfs/dbraw/zinc/92/60/77/1052926077.db2.gz FIAMFGKAUHKOCR-SFTDATJTSA-N 1 0 320.436 4.405 20 30 DIEDRO Cc1cc(O[C@H](CC[NH+](C)C)c2ccccc2)cc(C)c1C#N ZINC001226830893 1052935856 /nfs/dbraw/zinc/93/58/56/1052935856.db2.gz FBJKEJSXMDJKQW-HXUWFJFHSA-N 1 0 308.425 4.247 20 30 DIEDRO Cc1cccc(O[C@@H](CC[NH+](C)C)c2cccs2)c1C#N ZINC001226920855 1052945528 /nfs/dbraw/zinc/94/55/28/1052945528.db2.gz ZIGLWDMZWUPQQV-INIZCTEOSA-N 1 0 300.427 4.000 20 30 DIEDRO C[NH+](C)C1(C/N=C\c2c(O)ccc3ccccc32)CCCCC1 ZINC000920945407 1052956751 /nfs/dbraw/zinc/95/67/51/1052956751.db2.gz YBRCRJVJEWBXLL-STZFKDTASA-N 1 0 310.441 4.229 20 30 DIEDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(C#N)c(Cl)c2)C1 ZINC000609499614 1052980499 /nfs/dbraw/zinc/98/04/99/1052980499.db2.gz IFOXARTXVUYZOE-AWEZNQCLSA-N 1 0 305.853 4.136 20 30 DIEDRO C[C@H](C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000609739054 1052990543 /nfs/dbraw/zinc/99/05/43/1052990543.db2.gz TZYRWSLNJLQRGU-QGZVFWFLSA-N 1 0 320.436 4.205 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000609766364 1052992290 /nfs/dbraw/zinc/99/22/90/1052992290.db2.gz SHIWDTHWEDQIBR-UHFFFAOYSA-N 1 0 320.436 4.164 20 30 DIEDRO CC[N@H+](CC/C=C/c1ccc(Br)cc1)C[C@@H](C)C#N ZINC000609766391 1052992344 /nfs/dbraw/zinc/99/23/44/1052992344.db2.gz FZYWFXJXSMAPTL-YVZNUBBCSA-N 1 0 321.262 4.334 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609823492 1052994323 /nfs/dbraw/zinc/99/43/23/1052994323.db2.gz LIBNXMIUTYWLJI-OXJNMPFZSA-N 1 0 306.409 4.083 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCC2CC2)c1 ZINC000609902156 1052999049 /nfs/dbraw/zinc/99/90/49/1052999049.db2.gz RGZSBXNRLFVWAM-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO C=CCC[NH+]1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000610080283 1053007223 /nfs/dbraw/zinc/00/72/23/1053007223.db2.gz OYVSHGZEVWQGJP-IBGZPJMESA-N 1 0 315.457 4.012 20 30 DIEDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237555172 1053011023 /nfs/dbraw/zinc/01/10/23/1053011023.db2.gz KAHNEVYGXMNSOT-SJORKVTESA-N 1 0 308.425 4.007 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)cc1 ZINC000237564313 1053012658 /nfs/dbraw/zinc/01/26/58/1053012658.db2.gz HTJZAQCOEZRYAS-CQSZACIVSA-N 1 0 312.388 4.141 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)c2ccccc2)cc1 ZINC000237694227 1053021786 /nfs/dbraw/zinc/02/17/86/1053021786.db2.gz PFFPHFDIBAZOIL-INIZCTEOSA-N 1 0 308.425 4.045 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cnn1C(C)(C)C ZINC000615756721 1053030360 /nfs/dbraw/zinc/03/03/60/1053030360.db2.gz DMZVFKMCQOYLMC-KBPBESRZSA-N 1 0 310.445 4.230 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000237840820 1053032024 /nfs/dbraw/zinc/03/20/24/1053032024.db2.gz VHRIROHUPNNQHB-UHFFFAOYSA-N 1 0 319.326 4.007 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000237894406 1053038062 /nfs/dbraw/zinc/03/80/62/1053038062.db2.gz ABWOAAUEMFRESM-OAQYLSRUSA-N 1 0 305.421 4.248 20 30 DIEDRO CCOc1ccccc1C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000180039169 1053043455 /nfs/dbraw/zinc/04/34/55/1053043455.db2.gz XSSSVTLFSHNLRL-INIZCTEOSA-N 1 0 324.424 4.008 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)Cn1ccc(=S)c2ccccc21 ZINC000068613606 1053054200 /nfs/dbraw/zinc/05/42/00/1053054200.db2.gz UNGZKJXYRAHTKM-UHFFFAOYSA-N 1 0 319.433 4.332 20 30 DIEDRO C=CCCC1(C[NH2+]C[C@@H](Cc2ccccc2)OC)CCCC1 ZINC001474625311 1053064375 /nfs/dbraw/zinc/06/43/75/1053064375.db2.gz MGQGWOVMOVQPFC-LJQANCHMSA-N 1 0 301.474 4.360 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180541904 1053065667 /nfs/dbraw/zinc/06/56/67/1053065667.db2.gz IHOZHVHWPGOCMF-JKSUJKDBSA-N 1 0 324.424 4.399 20 30 DIEDRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000180536815 1053066529 /nfs/dbraw/zinc/06/65/29/1053066529.db2.gz WLRGWBHSCASFAV-QFBILLFUSA-N 1 0 308.425 4.261 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1sccc1Br ZINC000037748955 1053070236 /nfs/dbraw/zinc/07/02/36/1053070236.db2.gz ZREKNWBGOPZIIS-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000616770542 1053071982 /nfs/dbraw/zinc/07/19/82/1053071982.db2.gz WTWWNMPDYSAWAR-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO C#C[C@H](Oc1ccc2ccccc2c1C[NH+](C)C)c1ccncc1 ZINC001228440478 1053104244 /nfs/dbraw/zinc/10/42/44/1053104244.db2.gz DMXCRAYLMXHPCG-FQEVSTJZSA-N 1 0 316.404 4.050 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)cc1F ZINC001351270691 1053159155 /nfs/dbraw/zinc/15/91/55/1053159155.db2.gz DFQXAIAZGMHMDJ-QGZVFWFLSA-N 1 0 317.795 4.233 20 30 DIEDRO CC[C@H](NCc1cc(Cl)cc(C#N)c1)c1nc(C)cs1 ZINC001351287094 1053163003 /nfs/dbraw/zinc/16/30/03/1053163003.db2.gz JKSSGALQLVWWQA-AWEZNQCLSA-N 1 0 305.834 4.218 20 30 DIEDRO C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CC[C@H](C#N)C4)cc32)CC1 ZINC001228823639 1053185992 /nfs/dbraw/zinc/18/59/92/1053185992.db2.gz NMNCHIJCZRIJHH-GOEBONIOSA-N 1 0 323.440 4.048 20 30 DIEDRO C#C[C@H](Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1)C(C)C ZINC001228830923 1053188360 /nfs/dbraw/zinc/18/83/60/1053188360.db2.gz UIOPXEXRLJNGBO-FQEVSTJZSA-N 1 0 310.441 4.014 20 30 DIEDRO C#CC[C@@H](CC)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228829722 1053188392 /nfs/dbraw/zinc/18/83/92/1053188392.db2.gz LEKYFWRWDTUPBD-MRXNPFEDSA-N 1 0 310.441 4.158 20 30 DIEDRO C=CCc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001228847477 1053193107 /nfs/dbraw/zinc/19/31/07/1053193107.db2.gz UMIZVBXIXBDGHU-PKOBYXMFSA-N 1 0 322.452 4.415 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555992 1053205013 /nfs/dbraw/zinc/20/50/13/1053205013.db2.gz ZNMIKTKMRDCMNU-OLZOCXBDSA-N 1 0 319.836 4.123 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1cccc(C#N)c1 ZINC000181424403 1053205839 /nfs/dbraw/zinc/20/58/39/1053205839.db2.gz OYFWHURLOVOSFC-GFCCVEGCSA-N 1 0 320.314 4.308 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3c(c2)CCC3)c1 ZINC001319123856 1053219323 /nfs/dbraw/zinc/21/93/23/1053219323.db2.gz UVQXTHKTWBRVAD-FQEVSTJZSA-N 1 0 320.436 4.146 20 30 DIEDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC001319241099 1053230538 /nfs/dbraw/zinc/23/05/38/1053230538.db2.gz WJHQVWFEDVQFOE-HOTGVXAUSA-N 1 0 302.487 4.204 20 30 DIEDRO C=C(C)c1ccc(O[C@H]2CCN3Cc4ccccc4N=C23)cc1 ZINC001229078510 1053241111 /nfs/dbraw/zinc/24/11/11/1053241111.db2.gz JIVJZDJOAJDFRY-IBGZPJMESA-N 1 0 304.393 4.417 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)C1CC1 ZINC000090911408 1053247718 /nfs/dbraw/zinc/24/77/18/1053247718.db2.gz XOAIPQSSBGFHIM-YOEHRIQHSA-N 1 0 311.429 4.175 20 30 DIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181594070 1053254346 /nfs/dbraw/zinc/25/43/46/1053254346.db2.gz INSFAPJHKWTLKU-DLBZAZTESA-N 1 0 308.425 4.433 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccc(C#N)cc1 ZINC000181606944 1053257750 /nfs/dbraw/zinc/25/77/50/1053257750.db2.gz MLRMIBXULZJKAC-DLBZAZTESA-N 1 0 308.425 4.062 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001360675125 1053260434 /nfs/dbraw/zinc/26/04/34/1053260434.db2.gz WFHDTWJPMOUUJA-RCCFBDPRSA-N 1 0 310.526 4.314 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC(F)F)cc1OC(F)F)C(C)C ZINC001319695177 1053264536 /nfs/dbraw/zinc/26/45/36/1053264536.db2.gz PVYZNBADLMRNHT-UHFFFAOYSA-N 1 0 321.314 4.286 20 30 DIEDRO Cc1cccc(C#N)c1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001229179807 1053268676 /nfs/dbraw/zinc/26/86/76/1053268676.db2.gz OYHZCYAHYBTWRL-HNNXBMFYSA-N 1 0 300.427 4.000 20 30 DIEDRO Cc1ccc(C[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C(C)C)cc1 ZINC001319784159 1053273770 /nfs/dbraw/zinc/27/37/70/1053273770.db2.gz LVEMGDYBTFFALB-OAQYLSRUSA-N 1 0 322.452 4.254 20 30 DIEDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC001319829505 1053278585 /nfs/dbraw/zinc/27/85/85/1053278585.db2.gz YDXVFWJSHBCFCH-AEFFLSMTSA-N 1 0 318.486 4.085 20 30 DIEDRO C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1cccc(C#N)c1 ZINC000181725285 1053285196 /nfs/dbraw/zinc/28/51/96/1053285196.db2.gz GNMCZQLNUIODJG-HNNXBMFYSA-N 1 0 303.409 4.323 20 30 DIEDRO COc1ccccc1C1(N[C@H](C)c2ccc(C#N)cc2F)CCC1 ZINC001319963240 1053288718 /nfs/dbraw/zinc/28/87/18/1053288718.db2.gz XJNYZHCCQCAFSX-CQSZACIVSA-N 1 0 324.399 4.436 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000618281997 1053291390 /nfs/dbraw/zinc/29/13/90/1053291390.db2.gz KQIYTROKYVGWNQ-QGZVFWFLSA-N 1 0 302.487 4.497 20 30 DIEDRO Cc1cccc2c(CC[NH2+][C@@H](C)c3cccc(C#N)c3)c[nH]c21 ZINC000181808052 1053294487 /nfs/dbraw/zinc/29/44/87/1053294487.db2.gz UAGXXVLCCBHYNC-HNNXBMFYSA-N 1 0 303.409 4.241 20 30 DIEDRO CCC[C@H]([NH2+]Cc1cccc(OCC#N)c1)C1CCCCC1 ZINC001320025948 1053296557 /nfs/dbraw/zinc/29/65/57/1053296557.db2.gz KERUSEHDYOMITB-IBGZPJMESA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000181837404 1053298478 /nfs/dbraw/zinc/29/84/78/1053298478.db2.gz KZCPRSKDEMBVFJ-OAHLLOKOSA-N 1 0 316.445 4.111 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229373694 1053308864 /nfs/dbraw/zinc/30/88/64/1053308864.db2.gz CWLFPGGJIOJWDR-SFHVURJKSA-N 1 0 312.388 4.049 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@@H]2CC[N@H+](C)C2)cc1 ZINC001229376581 1053310575 /nfs/dbraw/zinc/31/05/75/1053310575.db2.gz KLXYGXYTYVEIPH-GOSISDBHSA-N 1 0 303.446 4.313 20 30 DIEDRO C[NH+]1CCC(Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)CC1 ZINC001229430370 1053320201 /nfs/dbraw/zinc/32/02/01/1053320201.db2.gz WLDZSWOSVQKDQU-GHXNOFRVSA-N 1 0 321.420 4.056 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC001320306062 1053323049 /nfs/dbraw/zinc/32/30/49/1053323049.db2.gz LRUJHOGOFCLBKG-WFASDCNBSA-N 1 0 313.413 4.169 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000618571890 1053323484 /nfs/dbraw/zinc/32/34/84/1053323484.db2.gz KUQPBOFEWFJCGO-NRUUGDAUSA-N 1 0 311.212 4.099 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000182000515 1053323582 /nfs/dbraw/zinc/32/35/82/1053323582.db2.gz CJKOYNKJZJJAFW-VQIMIIECSA-N 1 0 320.436 4.360 20 30 DIEDRO CO[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000181997905 1053324012 /nfs/dbraw/zinc/32/40/12/1053324012.db2.gz OCKXNXPZQPBYCM-FZKQIMNGSA-N 1 0 314.816 4.250 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(C#N)c1 ZINC000618569866 1053324786 /nfs/dbraw/zinc/32/47/86/1053324786.db2.gz AZFVXXXNSVINNV-ORAYPTAESA-N 1 0 321.380 4.195 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000618578596 1053324869 /nfs/dbraw/zinc/32/48/69/1053324869.db2.gz IINVKHKDVUJFBA-HOCLYGCPSA-N 1 0 318.411 4.449 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000618565212 1053325194 /nfs/dbraw/zinc/32/51/94/1053325194.db2.gz HCSZFSHCTPUVPD-ICSRJNTNSA-N 1 0 320.436 4.438 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000618565214 1053325621 /nfs/dbraw/zinc/32/56/21/1053325621.db2.gz HCSZFSHCTPUVPD-UYAOXDASSA-N 1 0 320.436 4.438 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC001320427563 1053333701 /nfs/dbraw/zinc/33/37/01/1053333701.db2.gz GKZBAQIHTGHYRZ-WCQYABFASA-N 1 0 320.433 4.109 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000182089631 1053342740 /nfs/dbraw/zinc/34/27/40/1053342740.db2.gz UDARDZUNCDKYOQ-YJBOKZPZSA-N 1 0 323.415 4.017 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001320548623 1053343698 /nfs/dbraw/zinc/34/36/98/1053343698.db2.gz GSXNICVSROSFCU-SKINQDTJSA-N 1 0 306.384 4.027 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)c1 ZINC001320570052 1053345377 /nfs/dbraw/zinc/34/53/77/1053345377.db2.gz ZYCJLFKQIPKTDF-YLZJTPGZSA-N 1 0 320.436 4.360 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)Cc2ccc(C)cc2)c1 ZINC001320576662 1053345907 /nfs/dbraw/zinc/34/59/07/1053345907.db2.gz DNUPDBHQDZSYAT-XLIONFOSSA-N 1 0 322.452 4.397 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC001320591274 1053348359 /nfs/dbraw/zinc/34/83/59/1053348359.db2.gz DDNIRXVSFVJWNQ-VQIMIIECSA-N 1 0 311.425 4.117 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000618743055 1053360569 /nfs/dbraw/zinc/36/05/69/1053360569.db2.gz VHKBPHMPLUXFFN-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001320810806 1053363637 /nfs/dbraw/zinc/36/36/37/1053363637.db2.gz HRBDMEBEDNQCGM-SFHVURJKSA-N 1 0 308.510 4.214 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(F)F)c2)cc1 ZINC001320868465 1053370169 /nfs/dbraw/zinc/37/01/69/1053370169.db2.gz FJJJLSVOQUBDGV-AWEZNQCLSA-N 1 0 315.363 4.487 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(F)F)c2)cc1 ZINC001320868466 1053370466 /nfs/dbraw/zinc/37/04/66/1053370466.db2.gz FJJJLSVOQUBDGV-CQSZACIVSA-N 1 0 315.363 4.487 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000618804650 1053370661 /nfs/dbraw/zinc/37/06/61/1053370661.db2.gz BWUBSYPNFZCCCS-PMACEKPBSA-N 1 0 306.384 4.352 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618803188 1053371050 /nfs/dbraw/zinc/37/10/50/1053371050.db2.gz HJJBUWNKPSFBCE-IFXJQAMLSA-N 1 0 306.409 4.213 20 30 DIEDRO C[C@@H]1[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C[C@H]1c1ccccc1 ZINC000618804642 1053371610 /nfs/dbraw/zinc/37/16/10/1053371610.db2.gz LLFJBGGINWGVKO-MYDCNYLUSA-N 1 0 302.421 4.327 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804780 1053371672 /nfs/dbraw/zinc/37/16/72/1053371672.db2.gz MJYGTWGCXZGIFP-VBKZILBWSA-N 1 0 306.409 4.295 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000618808144 1053372839 /nfs/dbraw/zinc/37/28/39/1053372839.db2.gz ZINOUOCMCKAXMP-RTBURBONSA-N 1 0 310.347 4.101 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001320910690 1053374270 /nfs/dbraw/zinc/37/42/70/1053374270.db2.gz OTCGUZRTOIOQIN-YJYMSZOUSA-N 1 0 310.828 4.420 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](Oc2ccc(CC[NH+](C)C)cc2)C(C)(C)O1 ZINC001229659835 1053375681 /nfs/dbraw/zinc/37/56/81/1053375681.db2.gz LTSVENSDFAXYOP-QUCCMNQESA-N 1 0 317.473 4.072 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)COc1ccccc1F)c1ccc(C#N)cc1 ZINC001321014040 1053381337 /nfs/dbraw/zinc/38/13/37/1053381337.db2.gz BXAFPAHZVWEDBF-RDTXWAMCSA-N 1 0 312.388 4.206 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](Oc2ccc(F)cc2C[NH+](C)C)C(C)(C)O1 ZINC001229859065 1053419454 /nfs/dbraw/zinc/41/94/54/1053419454.db2.gz WOTLUWJCSVWLMJ-MJGOQNOKSA-N 1 0 321.436 4.168 20 30 DIEDRO C=C[C@]1(C)CC[C@H](Oc2ccc(F)cc2C[NH+](C)C)C(C)(C)O1 ZINC001229859066 1053419829 /nfs/dbraw/zinc/41/98/29/1053419829.db2.gz WOTLUWJCSVWLMJ-PKOBYXMFSA-N 1 0 321.436 4.168 20 30 DIEDRO CC(C)[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000619069243 1053426763 /nfs/dbraw/zinc/42/67/63/1053426763.db2.gz HLZJDRBTADKEIA-UHFFFAOYSA-N 1 0 303.409 4.450 20 30 DIEDRO CC[N@@H+]1CCC[C@@H](Oc2ccccc2/C=N/c2ccccc2O)C1 ZINC001229938369 1053433825 /nfs/dbraw/zinc/43/38/25/1053433825.db2.gz VHXVVJZFLCDXAF-AQRZYSDFSA-N 1 0 324.424 4.006 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C2(C)CCCC2)cc1OC ZINC001200185911 1053444167 /nfs/dbraw/zinc/44/41/67/1053444167.db2.gz UVYJZHNTZZPTTD-UHFFFAOYSA-N 1 0 309.837 4.336 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000093757240 1053444868 /nfs/dbraw/zinc/44/48/68/1053444868.db2.gz CPHCCYDNGQUBRK-MRXNPFEDSA-N 1 0 302.487 4.431 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001322060994 1053451876 /nfs/dbraw/zinc/45/18/76/1053451876.db2.gz TYNPXMVKAYRXPO-UHFFFAOYSA-N 1 0 306.749 4.174 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001300183223 1053469325 /nfs/dbraw/zinc/46/93/25/1053469325.db2.gz QLIQCKWUWXZGOX-JQDPHBCOSA-N 1 0 320.521 4.093 20 30 DIEDRO CC(C)c1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)on1 ZINC000619508263 1053497366 /nfs/dbraw/zinc/49/73/66/1053497366.db2.gz GQWQAPKPXCGYPN-GOSISDBHSA-N 1 0 309.413 4.227 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(Cl)o1 ZINC000619508661 1053498639 /nfs/dbraw/zinc/49/86/39/1053498639.db2.gz WXKDFUPFRUKZLX-INIZCTEOSA-N 1 0 300.789 4.362 20 30 DIEDRO Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000182764475 1053507500 /nfs/dbraw/zinc/50/75/00/1053507500.db2.gz OAHCEYSWDKIVTP-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO Cc1c(F)cccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182774745 1053512306 /nfs/dbraw/zinc/51/23/06/1053512306.db2.gz WIVIKAMRZVJFTP-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO COc1cc(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)ccc1C#N ZINC000619654380 1053525083 /nfs/dbraw/zinc/52/50/83/1053525083.db2.gz FKYOPBNEKDLZQY-RNODOKPDSA-N 1 0 324.399 4.119 20 30 DIEDRO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000619673652 1053528352 /nfs/dbraw/zinc/52/83/52/1053528352.db2.gz VGLVHJWETXIKOA-PMACEKPBSA-N 1 0 318.420 4.221 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC)c1F ZINC000619724997 1053541220 /nfs/dbraw/zinc/54/12/20/1053541220.db2.gz IJWYFQHNJAEUIQ-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(OC)c1 ZINC000619754661 1053545813 /nfs/dbraw/zinc/54/58/13/1053545813.db2.gz GXFRFFCBOPAJGL-SFHVURJKSA-N 1 0 314.816 4.461 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754772 1053547407 /nfs/dbraw/zinc/54/74/07/1053547407.db2.gz KIKULDFWSLYNMN-CYBMUJFWSA-N 1 0 316.807 4.462 20 30 DIEDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cnn1C(C)C ZINC000619755529 1053547482 /nfs/dbraw/zinc/54/74/82/1053547482.db2.gz ZLJKUYSGBXJSBQ-LBPRGKRZSA-N 1 0 316.836 4.148 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000619754510 1053548412 /nfs/dbraw/zinc/54/84/12/1053548412.db2.gz BSGIQMXOWSTSSV-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000619755695 1053548697 /nfs/dbraw/zinc/54/86/97/1053548697.db2.gz PQIPQKTXPQBKDB-NSHDSACASA-N 1 0 313.763 4.073 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1Cl ZINC000619755537 1053549009 /nfs/dbraw/zinc/54/90/09/1053549009.db2.gz KOGHPSLVUXTQBG-INIZCTEOSA-N 1 0 317.219 4.122 20 30 DIEDRO C=CC[C@H](Oc1ccc2[nH]c(N)[nH+]c2c1)c1ccc(Cl)cc1 ZINC001230517947 1053550354 /nfs/dbraw/zinc/55/03/54/1053550354.db2.gz INLBYDONZSQWMK-INIZCTEOSA-N 1 0 313.788 4.495 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000619755846 1053550362 /nfs/dbraw/zinc/55/03/62/1053550362.db2.gz VZQLEMBUETXUGK-SJORKVTESA-N 1 0 318.848 4.039 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755868 1053550435 /nfs/dbraw/zinc/55/04/35/1053550435.db2.gz WSXYSDLYRGSWGD-LJQANCHMSA-N 1 0 321.811 4.251 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000619746654 1053552365 /nfs/dbraw/zinc/55/23/65/1053552365.db2.gz FAYLHVABIDWEOF-JTQLQIEISA-N 1 0 306.743 4.341 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1Cl ZINC000619746947 1053553858 /nfs/dbraw/zinc/55/38/58/1053553858.db2.gz VVHYMMKWQAWESW-KRWDZBQOSA-N 1 0 318.754 4.267 20 30 DIEDRO N#Cc1ccc(C[NH2+]C/C=C/c2ccc(F)cc2)cc1Cl ZINC000619748635 1053554984 /nfs/dbraw/zinc/55/49/84/1053554984.db2.gz PJISAKMUEMKLIJ-OWOJBTEDSA-N 1 0 300.764 4.154 20 30 DIEDRO C=CCc1cc(C[NH2+]CCCCC(C)(C)C)cc(OC)c1O ZINC001200324022 1053556776 /nfs/dbraw/zinc/55/67/76/1053556776.db2.gz ZJKKBUBICYTABD-UHFFFAOYSA-N 1 0 305.462 4.435 20 30 DIEDRO C=C(C)C[NH+]1CCC(N[C@H](CC)c2cc(F)ccc2F)CC1 ZINC000152974304 1053564796 /nfs/dbraw/zinc/56/47/96/1053564796.db2.gz YSYXZAUZJKAPQA-GOSISDBHSA-N 1 0 308.416 4.046 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000153002566 1053568254 /nfs/dbraw/zinc/56/82/54/1053568254.db2.gz JSSBUGRPTMKNDZ-CYBMUJFWSA-N 1 0 310.844 4.170 20 30 DIEDRO CC(C)(C)c1cccc(C#N)c1OC1CC[NH+](C(C)(C)C)CC1 ZINC001230636324 1053573624 /nfs/dbraw/zinc/57/36/24/1053573624.db2.gz IXANWJSGZLLJLM-UHFFFAOYSA-N 1 0 314.473 4.497 20 30 DIEDRO Cc1cc(C#N)ccc1O[C@H](c1ccccc1)[C@H](C)[NH+]1CCCC1 ZINC001230683250 1053582368 /nfs/dbraw/zinc/58/23/68/1053582368.db2.gz YIKKGPUODKWUGR-UWJYYQICSA-N 1 0 320.436 4.471 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCc1ccccc1OC(F)(F)F ZINC000153196457 1053592812 /nfs/dbraw/zinc/59/28/12/1053592812.db2.gz AIQFHZAMRGAMLN-UHFFFAOYSA-N 1 0 314.351 4.047 20 30 DIEDRO Cc1cc2cc(C[NH2+]C3CC(C#N)(c4ccccc4)C3)ccc2[nH]1 ZINC001323982305 1053615559 /nfs/dbraw/zinc/61/55/59/1053615559.db2.gz WIOPYPYPTCBVJF-UHFFFAOYSA-N 1 0 315.420 4.190 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC001324021205 1053617235 /nfs/dbraw/zinc/61/72/35/1053617235.db2.gz HEDJYHKYPBVTAC-XJKSGUPXSA-N 1 0 316.470 4.279 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000131010458 1053621831 /nfs/dbraw/zinc/62/18/31/1053621831.db2.gz LTCVYFAKIRKTCU-UGSOOPFHSA-N 1 0 314.816 4.250 20 30 DIEDRO Cc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000183279723 1053622232 /nfs/dbraw/zinc/62/22/32/1053622232.db2.gz GKXBKFQXNXTDBR-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cl)c1F)CC2 ZINC001324158703 1053630096 /nfs/dbraw/zinc/63/00/96/1053630096.db2.gz OAWKOGAZMHTIIH-MRXNPFEDSA-N 1 0 300.764 4.128 20 30 DIEDRO C=CCc1cccc(O[C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c1 ZINC001231010032 1053649452 /nfs/dbraw/zinc/64/94/52/1053649452.db2.gz NEGAFUOZMAWNCQ-PXNSSMCTSA-N 1 0 322.452 4.415 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC001200451077 1053671751 /nfs/dbraw/zinc/67/17/51/1053671751.db2.gz WWAAVFQAAOQJGR-HFBAOOFYSA-N 1 0 314.256 4.361 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC001200451081 1053672584 /nfs/dbraw/zinc/67/25/84/1053672584.db2.gz WWAAVFQAAOQJGR-XFBWCDHKSA-N 1 0 314.256 4.361 20 30 DIEDRO CCCNc1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC001324759600 1053678583 /nfs/dbraw/zinc/67/85/83/1053678583.db2.gz FDOIOWZTISYMPZ-UHFFFAOYSA-N 1 0 319.452 4.222 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c1 ZINC001324841539 1053681984 /nfs/dbraw/zinc/68/19/84/1053681984.db2.gz MPVSQDDBPUMGSX-PMACEKPBSA-N 1 0 306.409 4.015 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2cccc(OCC#N)c2)cc1 ZINC001324840786 1053683141 /nfs/dbraw/zinc/68/31/41/1053683141.db2.gz HPFDJILQFVPNPH-INIZCTEOSA-N 1 0 324.424 4.229 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(/N=C/c3ccccc3)cc1)C2 ZINC001231200369 1053699664 /nfs/dbraw/zinc/69/96/64/1053699664.db2.gz NDPCNCDVEJGJHQ-WJUHSWBGSA-N 1 0 320.436 4.441 20 30 DIEDRO C=C(C[NH2+]Cc1cccc(OC)c1OC(F)F)c1ccccc1 ZINC000620757805 1053729735 /nfs/dbraw/zinc/72/97/35/1053729735.db2.gz KRZPYTXSDMCOIQ-UHFFFAOYSA-N 1 0 319.351 4.100 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001200526893 1053735889 /nfs/dbraw/zinc/73/58/89/1053735889.db2.gz XHEMXTOCBBGVIP-SNVBAGLBSA-N 1 0 302.643 4.465 20 30 DIEDRO Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c(C)c1C ZINC001231492412 1053769630 /nfs/dbraw/zinc/76/96/30/1053769630.db2.gz JQHQRSCQCWJQDY-SFHVURJKSA-N 1 0 315.482 4.003 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CSc3ccccc32)C1 ZINC001326446342 1053782785 /nfs/dbraw/zinc/78/27/85/1053782785.db2.gz MBKQGUGOCDIOOQ-FVWXCPNNSA-N 1 0 320.461 4.089 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)c1c(C)c[nH+]c2ccccc21 ZINC001326475964 1053784976 /nfs/dbraw/zinc/78/49/76/1053784976.db2.gz WFNKLIUCSPLTIN-UHFFFAOYSA-N 1 0 322.408 4.211 20 30 DIEDRO CO[C@@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)[C@@H](C)C1 ZINC001231578677 1053788272 /nfs/dbraw/zinc/78/82/72/1053788272.db2.gz QOPAVFFBVAXXFH-PGRDOPGGSA-N 1 0 319.448 4.086 20 30 DIEDRO Cc1cccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c1O ZINC001231592351 1053791859 /nfs/dbraw/zinc/79/18/59/1053791859.db2.gz KMOPLQHMUJRNLD-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO Cc1oc2ccccc2c1[C@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC001354229173 1053802055 /nfs/dbraw/zinc/80/20/55/1053802055.db2.gz OGSLXPHDPKRJJJ-AWEZNQCLSA-N 1 0 320.392 4.494 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC001231620750 1053805303 /nfs/dbraw/zinc/80/53/03/1053805303.db2.gz AMPNAIWXOFZXFN-UHFFFAOYSA-N 1 0 323.436 4.295 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC001231623949 1053806770 /nfs/dbraw/zinc/80/67/70/1053806770.db2.gz CJSXQHFNWDBOIA-UHFFFAOYSA-N 1 0 323.436 4.337 20 30 DIEDRO Cc1cccc2cc(C[NH+]3CCC(CC#N)CC3)c(Cl)nc12 ZINC001231652040 1053820893 /nfs/dbraw/zinc/82/08/93/1053820893.db2.gz CREFDBQMZHYHBH-UHFFFAOYSA-N 1 0 313.832 4.322 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC3(CC2)O[C@@H](C)c2ccccc23)c1 ZINC001231664645 1053827255 /nfs/dbraw/zinc/82/72/55/1053827255.db2.gz UEFGFEJLRWFYHI-KRWDZBQOSA-N 1 0 317.432 4.250 20 30 DIEDRO N#CC1(CC[NH+]2CCC(Nc3ccccc3)CC2)CCCCC1 ZINC001327312521 1053849403 /nfs/dbraw/zinc/84/94/03/1053849403.db2.gz JKVPWHLDFIMUMD-UHFFFAOYSA-N 1 0 311.473 4.427 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(C)(C)C)cc1 ZINC001231807149 1053864346 /nfs/dbraw/zinc/86/43/46/1053864346.db2.gz XGVRNINRBPXMHQ-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO Clc1cccc(C#CC[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000157745860 1053868520 /nfs/dbraw/zinc/86/85/20/1053868520.db2.gz IRUOKGUQXXQRKN-UHFFFAOYSA-N 1 0 317.860 4.115 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC001231819864 1053875105 /nfs/dbraw/zinc/87/51/05/1053875105.db2.gz IGHWQPFYEXQINZ-UYAOXDASSA-N 1 0 311.473 4.191 20 30 DIEDRO N#CC1CCC(C[N@H+](Cc2ccco2)Cc2cccnc2)CC1 ZINC001354468228 1053876523 /nfs/dbraw/zinc/87/65/23/1053876523.db2.gz DECVFUICLSNLBK-UHFFFAOYSA-N 1 0 309.413 4.007 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001231843533 1053886425 /nfs/dbraw/zinc/88/64/25/1053886425.db2.gz XNJHMIWRVGGAOS-UHFFFAOYSA-N 1 0 319.449 4.217 20 30 DIEDRO Cc1cc(C)c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(O)c1 ZINC001231841881 1053888528 /nfs/dbraw/zinc/88/85/28/1053888528.db2.gz FNDDELLUTPCYBG-UHFFFAOYSA-N 1 0 320.436 4.066 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H](C)Oc2ccc(Cl)cc2)ccc1C#N ZINC001200741222 1053934425 /nfs/dbraw/zinc/93/44/25/1053934425.db2.gz KUXYHQCYNQNTAI-CQSZACIVSA-N 1 0 314.816 4.077 20 30 DIEDRO N#CCCN(Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(Cl)cc1 ZINC001232015263 1053944329 /nfs/dbraw/zinc/94/43/29/1053944329.db2.gz DTMSCBZRYGCLLR-UHFFFAOYSA-N 1 0 324.815 4.132 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc4c(c3)CCC4)cc2)CC1 ZINC001328697154 1053950634 /nfs/dbraw/zinc/95/06/34/1053950634.db2.gz RERVKHRWRPQSBU-UHFFFAOYSA-N 1 0 302.421 4.020 20 30 DIEDRO C[N@H+](CCc1ccccc1F)Cc1ccc(C#N)c(Cl)c1 ZINC001232118506 1053968213 /nfs/dbraw/zinc/96/82/13/1053968213.db2.gz NVIPGAKQLSHJKZ-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CCCCCCCCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001354802581 1053974866 /nfs/dbraw/zinc/97/48/66/1053974866.db2.gz QDYVJRDVJZTPNT-GOSISDBHSA-N 1 0 308.510 4.118 20 30 DIEDRO C=CCC1(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)CCCC1 ZINC000621762788 1054008244 /nfs/dbraw/zinc/00/82/44/1054008244.db2.gz KSGIPNOQGMANGA-SFHVURJKSA-N 1 0 312.457 4.210 20 30 DIEDRO CC[NH+](CC)CC[C@H](Nc1ccc(C#N)c(C)n1)c1ccccc1 ZINC001472902745 1054014586 /nfs/dbraw/zinc/01/45/86/1054014586.db2.gz LXLFGZSWNXLUCW-IBGZPJMESA-N 1 0 322.456 4.147 20 30 DIEDRO COCc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cc1 ZINC001232301037 1054016541 /nfs/dbraw/zinc/01/65/41/1054016541.db2.gz YZRJUQVZPBBJHT-UHFFFAOYSA-N 1 0 320.436 4.084 20 30 DIEDRO Cc1cccc(CN(CCC#N)C2CCCC2)c1OC(C)C ZINC001232391213 1054037544 /nfs/dbraw/zinc/03/75/44/1054037544.db2.gz IHSDCLOVAIIXGO-UHFFFAOYSA-N 1 0 300.446 4.441 20 30 DIEDRO Cc1cccc(CN2CCc3ccc(C#N)cc3C2)c1OC(C)C ZINC001232393458 1054037619 /nfs/dbraw/zinc/03/76/19/1054037619.db2.gz MKIRVSKWJYFUAB-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001232479899 1054056087 /nfs/dbraw/zinc/05/60/87/1054056087.db2.gz BGMHTXMTQNOWRY-OAHLLOKOSA-N 1 0 301.393 4.299 20 30 DIEDRO CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232480061 1054056122 /nfs/dbraw/zinc/05/61/22/1054056122.db2.gz HOLMDHTXVQDOBW-QGZVFWFLSA-N 1 0 309.438 4.012 20 30 DIEDRO Cc1cccc(F)c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001232483617 1054058248 /nfs/dbraw/zinc/05/82/48/1054058248.db2.gz MAKQZFCMGCBHCX-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001331042214 1054059404 /nfs/dbraw/zinc/05/94/04/1054059404.db2.gz XEZMIXZBVALWHH-CQSZACIVSA-N 1 0 305.853 4.156 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001331042210 1054059954 /nfs/dbraw/zinc/05/99/54/1054059954.db2.gz XEZMIXZBVALWHH-AWEZNQCLSA-N 1 0 305.853 4.156 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC001331307331 1054070279 /nfs/dbraw/zinc/07/02/79/1054070279.db2.gz WPCREEFGRDJFGS-CPUCHLNUSA-N 1 0 306.409 4.471 20 30 DIEDRO C(#CC1CC[NH+](Cc2nc3ccccc3o2)CC1)c1ccccc1 ZINC001232559234 1054074463 /nfs/dbraw/zinc/07/44/63/1054074463.db2.gz GLONELWRUNAUAZ-UHFFFAOYSA-N 1 0 316.404 4.092 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(OCc2ccccc2)ccn1 ZINC001232590568 1054076127 /nfs/dbraw/zinc/07/61/27/1054076127.db2.gz ZLOISQBSUWUAOA-UHFFFAOYSA-N 1 0 310.441 4.449 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc3ccsc3c1)C2 ZINC001232610074 1054083488 /nfs/dbraw/zinc/08/34/88/1054083488.db2.gz GWSZIQLBXKIHFD-UHFFFAOYSA-N 1 0 304.418 4.331 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000299248884 1054103785 /nfs/dbraw/zinc/10/37/85/1054103785.db2.gz AJNVHHJBBFXHGQ-FQEVSTJZSA-N 1 0 308.425 4.466 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC001332701191 1054126252 /nfs/dbraw/zinc/12/62/52/1054126252.db2.gz RGPQKXJYWCCCQP-FPOVZHCZSA-N 1 0 320.436 4.043 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCc3ccccc3)C2)s1 ZINC001232845300 1054129862 /nfs/dbraw/zinc/12/98/62/1054129862.db2.gz SWEUTQJEDHTVJC-QGZVFWFLSA-N 1 0 310.466 4.465 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001232845765 1054131053 /nfs/dbraw/zinc/13/10/53/1054131053.db2.gz PDFGTYHHJLWRMA-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO CN(Cc1cccc(C#N)c1)Cc1ccc(F)c(F)c1Cl ZINC001232879753 1054137472 /nfs/dbraw/zinc/13/74/72/1054137472.db2.gz UIGAYRKCZWOBNB-UHFFFAOYSA-N 1 0 306.743 4.122 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232890345 1054142189 /nfs/dbraw/zinc/14/21/89/1054142189.db2.gz SQYRNZBQUGGQKV-OHFIKTQHSA-N 1 0 321.399 4.154 20 30 DIEDRO C[N@H+](Cc1ccsc1)Cc1ccc(Br)c(C#N)c1 ZINC001232898733 1054144161 /nfs/dbraw/zinc/14/41/61/1054144161.db2.gz GVCYXRPJOKQCHQ-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO C[N@H+](Cc1cccs1)Cc1ccc(Br)c(C#N)c1 ZINC001232894872 1054144652 /nfs/dbraw/zinc/14/46/52/1054144652.db2.gz GLKTXGMDGRMNDN-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO C=CC[N@@H+](Cc1cc(C)c(Br)cn1)C1CCCCC1 ZINC001232908915 1054147796 /nfs/dbraw/zinc/14/77/96/1054147796.db2.gz ZZZRYCBNVZQAOV-UHFFFAOYSA-N 1 0 323.278 4.473 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(N(C)C)cc1 ZINC000848566680 1054152879 /nfs/dbraw/zinc/15/28/79/1054152879.db2.gz FMOKFWSWJOFTFQ-INIZCTEOSA-N 1 0 319.452 4.354 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc(F)ccc1O ZINC000848566623 1054153209 /nfs/dbraw/zinc/15/32/09/1054153209.db2.gz CLZQWXDPKGYJOZ-ZDUSSCGKSA-N 1 0 310.372 4.133 20 30 DIEDRO COc1cccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1O ZINC000848566674 1054153592 /nfs/dbraw/zinc/15/35/92/1054153592.db2.gz DWGKGNYYMJKNPH-AWEZNQCLSA-N 1 0 322.408 4.002 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCSC3(CCC3)C2)C1 ZINC001334421606 1054190227 /nfs/dbraw/zinc/19/02/27/1054190227.db2.gz GLOFGHGRVGJBTH-AOCRQIFASA-N 1 0 312.482 4.018 20 30 DIEDRO N#CC1CCC(C[NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001334535435 1054192364 /nfs/dbraw/zinc/19/23/64/1054192364.db2.gz KJDKMCUVLBFPPQ-UHFFFAOYSA-N 1 0 323.440 4.337 20 30 DIEDRO C=CCN(Cc1cnc2cccc(Cl)n12)Cc1ccccc1 ZINC001233359338 1054247304 /nfs/dbraw/zinc/24/73/04/1054247304.db2.gz RVGBOHFYAQKOSZ-UHFFFAOYSA-N 1 0 311.816 4.176 20 30 DIEDRO Nc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)c(Cl)c1 ZINC001233377194 1054254308 /nfs/dbraw/zinc/25/43/08/1054254308.db2.gz SRWWZRCLMUFKQI-UHFFFAOYSA-N 1 0 324.855 4.186 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c[nH]nc1-c1cc(F)cc(F)c1 ZINC001233406463 1054263606 /nfs/dbraw/zinc/26/36/06/1054263606.db2.gz QENWSGPKZILJRV-UHFFFAOYSA-N 1 0 305.372 4.143 20 30 DIEDRO N#CCCN(Cc1csc(Br)c1)C1CCCC1 ZINC001233414387 1054268214 /nfs/dbraw/zinc/26/82/14/1054268214.db2.gz DSVPZQGCZMLTER-UHFFFAOYSA-N 1 0 313.264 4.169 20 30 DIEDRO CCCCCCCCCC[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486803 1054281002 /nfs/dbraw/zinc/28/10/02/1054281002.db2.gz CWYXGFFEAFDTRS-UHFFFAOYSA-N 1 0 309.450 4.376 20 30 DIEDRO C=CC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184958817 1054283487 /nfs/dbraw/zinc/28/34/87/1054283487.db2.gz SQXBRGGXURMPCE-JTQLQIEISA-N 1 0 323.259 4.409 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC001233511561 1054286226 /nfs/dbraw/zinc/28/62/26/1054286226.db2.gz JKUNRCNKWKSXTF-IBGZPJMESA-N 1 0 306.409 4.088 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001338624171 1054310363 /nfs/dbraw/zinc/31/03/63/1054310363.db2.gz VXFOXYKYWYNIFY-AZUAARDMSA-N 1 0 320.436 4.090 20 30 DIEDRO C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)Cc1cccs1 ZINC001338650248 1054311117 /nfs/dbraw/zinc/31/11/17/1054311117.db2.gz WJBPDEBLAVHPLO-DMKPSLHHSA-N 1 0 310.466 4.140 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C#N)CC2)c(OCc2ccccc2)c1 ZINC001233618327 1054312257 /nfs/dbraw/zinc/31/22/57/1054312257.db2.gz JWRZEFFYVBJSFF-UHFFFAOYSA-N 1 0 320.436 4.310 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@H+](C)CC1(C)C ZINC001356378461 1054324700 /nfs/dbraw/zinc/32/47/00/1054324700.db2.gz PDLSSYRYXNCDHS-QGZVFWFLSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000848991816 1054325889 /nfs/dbraw/zinc/32/58/89/1054325889.db2.gz JUBRMVYFVDSDCX-UHFFFAOYSA-N 1 0 307.438 4.001 20 30 DIEDRO CCCCCCCCC[C@H](C)CC(=O)N1CCC[N@H+](C)CC1 ZINC001440405815 1054349624 /nfs/dbraw/zinc/34/96/24/1054349624.db2.gz LYUBXWMCQNRDHR-SFHVURJKSA-N 1 0 310.526 4.317 20 30 DIEDRO N#CC1(CCCC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CCC1 ZINC001340729164 1054366128 /nfs/dbraw/zinc/36/61/28/1054366128.db2.gz FVMZDGSJKDEPJY-RTBURBONSA-N 1 0 312.457 4.218 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](OC)c1ccc(F)cc1)c1ccco1 ZINC001340991352 1054374373 /nfs/dbraw/zinc/37/43/73/1054374373.db2.gz MKNSNKUBWONGGU-SJLPKXTDSA-N 1 0 303.377 4.403 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1ccc(C)c(C)c1)c1ccc(Cl)cc1 ZINC000849084511 1054377954 /nfs/dbraw/zinc/37/79/54/1054377954.db2.gz WTWKOMUMTHCBKX-KRWDZBQOSA-N 1 0 311.816 4.268 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 ZINC000849084616 1054379077 /nfs/dbraw/zinc/37/90/77/1054379077.db2.gz BRVOUMZOLWRDMR-GOSISDBHSA-N 1 0 323.827 4.139 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001442105509 1054409549 /nfs/dbraw/zinc/40/95/49/1054409549.db2.gz LZYCQZYBCKFLIM-QRVBRYPASA-N 1 0 322.537 4.316 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1ccc2cc(C#N)[nH]c2c1)c1ccccc1 ZINC001233995821 1054410008 /nfs/dbraw/zinc/41/00/08/1054410008.db2.gz FFXDAEORVIFKHY-FQEVSTJZSA-N 1 0 319.408 4.111 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1c[nH]c(=O)c2ccccc12 ZINC001234008094 1054411453 /nfs/dbraw/zinc/41/14/53/1054411453.db2.gz REPTYHXEBAKCQY-UHFFFAOYSA-N 1 0 304.393 4.129 20 30 DIEDRO C=CC[C@@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000172322158 1054423261 /nfs/dbraw/zinc/42/32/61/1054423261.db2.gz XTBKBPKZUGKYFU-QGZVFWFLSA-N 1 0 322.452 4.013 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001443332559 1054446780 /nfs/dbraw/zinc/44/67/80/1054446780.db2.gz IFOPTRSISCVQJD-HKUYNNGSSA-N 1 0 322.537 4.316 20 30 DIEDRO C=CC[C@H](CCCC)Oc1c(F)cc(C[NH+](C)C)cc1OC ZINC001234240028 1054467276 /nfs/dbraw/zinc/46/72/76/1054467276.db2.gz AKXJLRDDHJLHPG-OAHLLOKOSA-N 1 0 309.425 4.410 20 30 DIEDRO C=C(C)CCN1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001473277605 1054481432 /nfs/dbraw/zinc/48/14/32/1054481432.db2.gz KUZGVEWPZYAQPR-UHFFFAOYSA-N 1 0 312.501 4.473 20 30 DIEDRO N#CCCn1cc(C[NH2+]CC2CCCCC2)c(-c2ccccc2)n1 ZINC000072713372 1054516394 /nfs/dbraw/zinc/51/63/94/1054516394.db2.gz WAFMVKJGHJZOFQ-UHFFFAOYSA-N 1 0 322.456 4.134 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234424444 1054520614 /nfs/dbraw/zinc/52/06/14/1054520614.db2.gz PXOKZLKRXIGYHX-INIZCTEOSA-N 1 0 323.436 4.379 20 30 DIEDRO CC(C)[N@@H+]1CCC[C@@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234427916 1054522804 /nfs/dbraw/zinc/52/28/04/1054522804.db2.gz KLAZPGAGKNYIJG-GFCCVEGCSA-N 1 0 313.228 4.117 20 30 DIEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001473302497 1054528100 /nfs/dbraw/zinc/52/81/00/1054528100.db2.gz REWQJWVJEKOCFO-AWEZNQCLSA-N 1 0 310.363 4.445 20 30 DIEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072775770 1054533329 /nfs/dbraw/zinc/53/33/29/1054533329.db2.gz CSVHYBBMMHRTDA-RHSMWYFYSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCOCc2ccccc2)cc1 ZINC001346507515 1054539467 /nfs/dbraw/zinc/53/94/67/1054539467.db2.gz WMNJZCHGKJIVDE-UHFFFAOYSA-N 1 0 322.452 4.184 20 30 DIEDRO CCOc1cccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)c1 ZINC000073012178 1054614740 /nfs/dbraw/zinc/61/47/40/1054614740.db2.gz JAKJZUSBXIGJTG-SFHVURJKSA-N 1 0 324.424 4.056 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C)s2)c1 ZINC000073012428 1054615436 /nfs/dbraw/zinc/61/54/36/1054615436.db2.gz SDXVEKBBMBYISA-OAHLLOKOSA-N 1 0 300.427 4.027 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(CC)C1CC[NH+](C)CC1 ZINC001449965082 1054632522 /nfs/dbraw/zinc/63/25/22/1054632522.db2.gz BJVCCTDLULCTOV-KRWDZBQOSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCN1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235068882 1054651253 /nfs/dbraw/zinc/65/12/53/1054651253.db2.gz IQTKSQBPCGJVNZ-AWEZNQCLSA-N 1 0 306.416 4.106 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001450491007 1054652072 /nfs/dbraw/zinc/65/20/72/1054652072.db2.gz QVVMTROQNUEOOX-OKZBNKHCSA-N 1 0 310.526 4.314 20 30 DIEDRO CCC(CC)(CNc1ccc(C#N)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000495319517 1054710202 /nfs/dbraw/zinc/71/02/02/1054710202.db2.gz PMWFPRDDUNEFFM-MRXNPFEDSA-N 1 0 322.456 4.275 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@H]2Cc3cc(OC)ccc3O2)CCCC1(C)C ZINC001473432740 1054720315 /nfs/dbraw/zinc/72/03/15/1054720315.db2.gz OUJQPLXPYNEFMM-MJGOQNOKSA-N 1 0 315.457 4.065 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2nc(CCC(C)C)no2)CCCC1(C)C ZINC001473432152 1054720953 /nfs/dbraw/zinc/72/09/53/1054720953.db2.gz JWYGDTSRQFHLDX-OAHLLOKOSA-N 1 0 305.466 4.225 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccccc1 ZINC000180042927 1054729975 /nfs/dbraw/zinc/72/99/75/1054729975.db2.gz PBXWYSSDDREQTA-LJQANCHMSA-N 1 0 306.409 4.364 20 30 DIEDRO Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3CC#N)C2)cc1 ZINC001235522659 1054736559 /nfs/dbraw/zinc/73/65/59/1054736559.db2.gz HYYFSCRGMXTLAT-NRFANRHFSA-N 1 0 320.436 4.105 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3ccccc3CC#N)C2)c1 ZINC001235526557 1054736609 /nfs/dbraw/zinc/73/66/09/1054736609.db2.gz ZZSHZKIASBXDPK-HXUWFJFHSA-N 1 0 320.436 4.141 20 30 DIEDRO COc1cccc([C@H]2CCC[N@H+](Cc3ccccc3CC#N)C2)c1 ZINC001235526556 1054736760 /nfs/dbraw/zinc/73/67/60/1054736760.db2.gz ZZSHZKIASBXDPK-FQEVSTJZSA-N 1 0 320.436 4.141 20 30 DIEDRO N#CCc1ccccc1C[N@H+](Cc1ccccn1)C1CCCCC1 ZINC001235529746 1054737410 /nfs/dbraw/zinc/73/74/10/1054737410.db2.gz PBDNYZHEFAOGAM-UHFFFAOYSA-N 1 0 319.452 4.483 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235526604 1054737535 /nfs/dbraw/zinc/73/75/35/1054737535.db2.gz FCWLJJJZWFJRFA-UHFFFAOYSA-N 1 0 304.437 4.306 20 30 DIEDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1CC#N ZINC001235529439 1054738330 /nfs/dbraw/zinc/73/83/30/1054738330.db2.gz MQCRTNDVWWXHJS-UHFFFAOYSA-N 1 0 318.342 4.403 20 30 DIEDRO N#Cc1cc(NCCCCC[NH+]2CCCCC2)nc2ccccc12 ZINC000609893360 1054741574 /nfs/dbraw/zinc/74/15/74/1054741574.db2.gz IFUBAQCCRSBVKB-UHFFFAOYSA-N 1 0 322.456 4.175 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180261778 1054746825 /nfs/dbraw/zinc/74/68/25/1054746825.db2.gz HGKFAXISVRRFSW-GJZGRUSLSA-N 1 0 315.461 4.366 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(CC)cn1)[C@@H]1CCCc2ccccc21 ZINC001473826115 1054761557 /nfs/dbraw/zinc/76/15/57/1054761557.db2.gz LMVAZAZQOWOAOQ-OAQYLSRUSA-N 1 0 304.437 4.157 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc2cc(Br)cnc2c1 ZINC001235733488 1054792416 /nfs/dbraw/zinc/79/24/16/1054792416.db2.gz IUUWDBXJDNIPCL-UHFFFAOYSA-N 1 0 319.246 4.395 20 30 DIEDRO FC1(F)CC[C@@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849097526 1054834893 /nfs/dbraw/zinc/83/48/93/1054834893.db2.gz SOWKSFUXVUUPOP-OAHLLOKOSA-N 1 0 321.415 4.376 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000186000406 1054836894 /nfs/dbraw/zinc/83/68/94/1054836894.db2.gz LUYNQORFJORUAO-HNNXBMFYSA-N 1 0 307.865 4.333 20 30 DIEDRO COc1ccc(-c2ccc(F)c(C#N)c2)c(C[NH+]2CCCCC2)c1 ZINC001235897700 1054837410 /nfs/dbraw/zinc/83/74/10/1054837410.db2.gz JHNOTQMWRKLLDS-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000624037727 1054861681 /nfs/dbraw/zinc/86/16/81/1054861681.db2.gz FTEXQUULMRDDIM-OAHLLOKOSA-N 1 0 302.462 4.212 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000624037262 1054864232 /nfs/dbraw/zinc/86/42/32/1054864232.db2.gz SZTDCFCGHGFMPT-IBGZPJMESA-N 1 0 310.441 4.372 20 30 DIEDRO N#CCSCCC[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000181022214 1054899279 /nfs/dbraw/zinc/89/92/79/1054899279.db2.gz KJQMQTMNHHGLKW-QGZVFWFLSA-N 1 0 306.450 4.293 20 30 DIEDRO N#CCCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181594242 1054924732 /nfs/dbraw/zinc/92/47/32/1054924732.db2.gz QDSXCCVLBPJGFF-GOSISDBHSA-N 1 0 300.352 4.142 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000182183738 1054967155 /nfs/dbraw/zinc/96/71/55/1054967155.db2.gz UTKHEKVBVDFGQR-KBPBESRZSA-N 1 0 304.434 4.049 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cc(C)c(C#N)c(C)n2)c1 ZINC001236317651 1055053622 /nfs/dbraw/zinc/05/36/22/1055053622.db2.gz GDCVNQASZLCFSI-UHFFFAOYSA-N 1 0 311.404 4.218 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc3[nH]c(C#N)cc3n2)c1 ZINC001236318397 1055056109 /nfs/dbraw/zinc/05/61/09/1055056109.db2.gz SRAMZDARDKRSDL-UHFFFAOYSA-N 1 0 322.387 4.082 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(/C=N/O)c(F)c2)c1 ZINC001236328231 1055058238 /nfs/dbraw/zinc/05/82/38/1055058238.db2.gz NIXVIWAAVLCALF-SRZZPIQSSA-N 1 0 318.367 4.282 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(F)c(C#N)c2F)c1 ZINC001236328279 1055059497 /nfs/dbraw/zinc/05/94/97/1055059497.db2.gz OIWLQMDZUNOOBR-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2nc3ccccc3cc2CC#N)c1 ZINC001236418609 1055105128 /nfs/dbraw/zinc/10/51/28/1055105128.db2.gz SPDSLAADKHXOOB-UHFFFAOYSA-N 1 0 301.393 4.029 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2ccc(C#C[Si](C)(C)C)nc2)c1 ZINC001236427208 1055109275 /nfs/dbraw/zinc/10/92/75/1055109275.db2.gz WEZFSRUFLYMSDS-UHFFFAOYSA-N 1 0 308.501 4.039 20 30 DIEDRO COc1ccc(CC#N)cc1-c1ccc(C[NH2+]CC(C)C)cc1 ZINC001236438000 1055113108 /nfs/dbraw/zinc/11/31/08/1055113108.db2.gz ZQJXSZPVMHPWGS-UHFFFAOYSA-N 1 0 308.425 4.174 20 30 DIEDRO Cc1ccc(C#N)c(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001236468638 1055129801 /nfs/dbraw/zinc/12/98/01/1055129801.db2.gz ADKIJWPSWIAHIV-UXHICEINSA-N 1 0 315.420 4.082 20 30 DIEDRO Cc1nc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C#N ZINC001236471895 1055131228 /nfs/dbraw/zinc/13/12/28/1055131228.db2.gz NOLVLPAPFKGSBD-UXHICEINSA-N 1 0 315.420 4.082 20 30 DIEDRO Cc1c(C#N)ccnc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001236472247 1055131263 /nfs/dbraw/zinc/13/12/63/1055131263.db2.gz ZABLYBYRZDXACJ-UXHICEINSA-N 1 0 315.420 4.082 20 30 DIEDRO ON=Cc1ccccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001236475403 1055135282 /nfs/dbraw/zinc/13/52/82/1055135282.db2.gz OPJNNXVUOBRDRR-UXHICEINSA-N 1 0 318.420 4.315 20 30 DIEDRO C=CCSCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000380971637 1055141606 /nfs/dbraw/zinc/14/16/06/1055141606.db2.gz FRASAFQIWMGKNC-JTQLQIEISA-N 1 0 318.305 4.007 20 30 DIEDRO C=CCCCCCN(Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236512067 1055154422 /nfs/dbraw/zinc/15/44/22/1055154422.db2.gz YVYWYWKWTTXCQE-UHFFFAOYSA-N 1 0 322.443 4.265 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)cc2F)nc1 ZINC001236527597 1055161367 /nfs/dbraw/zinc/16/13/67/1055161367.db2.gz OCKLZYUFPIZIOH-LJQANCHMSA-N 1 0 309.388 4.306 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(C#N)cc2F)ccc1F ZINC001236534471 1055165083 /nfs/dbraw/zinc/16/50/83/1055165083.db2.gz GDGHAAHPROHDHN-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO N#Cc1ccc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)c(F)c1 ZINC001236535026 1055166851 /nfs/dbraw/zinc/16/68/51/1055166851.db2.gz SGSQVDSKTDZTEP-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000764489423 1055195348 /nfs/dbraw/zinc/19/53/48/1055195348.db2.gz BRVTWCAIBJBXDO-HRAATJIYSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000764489433 1055195359 /nfs/dbraw/zinc/19/53/59/1055195359.db2.gz BRVTWCAIBJBXDO-KKSFZXQISA-N 1 0 305.421 4.427 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)cc1 ZINC000764548676 1055208041 /nfs/dbraw/zinc/20/80/41/1055208041.db2.gz USYKLAVWYJYTAK-UONOGXRCSA-N 1 0 315.363 4.389 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc3sccc31)CC2 ZINC001236687173 1055229024 /nfs/dbraw/zinc/22/90/24/1055229024.db2.gz PHRSXPGPEZRBMH-UHFFFAOYSA-N 1 0 304.418 4.331 20 30 DIEDRO C=CC(C)(C)CCCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC001537131217 1055235401 /nfs/dbraw/zinc/23/54/01/1055235401.db2.gz PTRMOOKTGRTJQX-SFHVURJKSA-N 1 0 316.489 4.178 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1cccnc1Cl)C(C)C ZINC000764874559 1055280034 /nfs/dbraw/zinc/28/00/34/1055280034.db2.gz ILZKTUICQWWCIK-NVXWUHKLSA-N 1 0 321.896 4.084 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CCC3)CC2)cc1Br ZINC001236855749 1055293490 /nfs/dbraw/zinc/29/34/90/1055293490.db2.gz GQFMOMFMYYNGTR-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc(F)c(F)c(Br)c1 ZINC001236860884 1055294799 /nfs/dbraw/zinc/29/47/99/1055294799.db2.gz RMTQJUQBIMKVBR-UHFFFAOYSA-N 1 0 304.178 4.125 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1OC(F)(F)F ZINC000765014993 1055315294 /nfs/dbraw/zinc/31/52/94/1055315294.db2.gz ZGAKEORGJPZHDQ-GFCCVEGCSA-N 1 0 320.314 4.308 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000765016645 1055316880 /nfs/dbraw/zinc/31/68/80/1055316880.db2.gz XLHRLGSDAIURSE-QGZVFWFLSA-N 1 0 316.351 4.401 20 30 DIEDRO C=C(C)c1cccc(NC(=O)NCCC[NH+](CCC)CCC)c1 ZINC001563363790 1055329963 /nfs/dbraw/zinc/32/99/63/1055329963.db2.gz CTJWCQOASGJWAK-UHFFFAOYSA-N 1 0 317.477 4.353 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001237002600 1055332040 /nfs/dbraw/zinc/33/20/40/1055332040.db2.gz UPVNTBULACOOKW-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001237020565 1055343980 /nfs/dbraw/zinc/34/39/80/1055343980.db2.gz OYVRTRVAJQSORD-OAHLLOKOSA-N 1 0 310.828 4.247 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2)cc1 ZINC000765251954 1055344197 /nfs/dbraw/zinc/34/41/97/1055344197.db2.gz PQGAHQHHOOKOFJ-HOTGVXAUSA-N 1 0 309.409 4.119 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000765343659 1055366843 /nfs/dbraw/zinc/36/68/43/1055366843.db2.gz LWCIRKHMVCCGDD-PBHICJAKSA-N 1 0 309.837 4.038 20 30 DIEDRO CC(C)(C)Oc1cccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001237098853 1055370145 /nfs/dbraw/zinc/37/01/45/1055370145.db2.gz NWCNEWKXYHMKBA-UHFFFAOYSA-N 1 0 320.436 4.294 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000765349553 1055370905 /nfs/dbraw/zinc/37/09/05/1055370905.db2.gz NIAPWLHTGSQJMD-MRXNPFEDSA-N 1 0 316.404 4.098 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000765348340 1055371642 /nfs/dbraw/zinc/37/16/42/1055371642.db2.gz JUKMLLIUGITXLX-WBVHZDCISA-N 1 0 316.445 4.429 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000765416587 1055384260 /nfs/dbraw/zinc/38/42/60/1055384260.db2.gz OBCUAQLOPXVUOB-QGZVFWFLSA-N 1 0 320.436 4.177 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc2ncc(Br)cc2c1 ZINC001237169648 1055391085 /nfs/dbraw/zinc/39/10/85/1055391085.db2.gz FSGQVACOYAJAPW-UHFFFAOYSA-N 1 0 319.246 4.395 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc2cccc(Br)c2n1 ZINC001237172870 1055395619 /nfs/dbraw/zinc/39/56/19/1055395619.db2.gz BXMPIBLJGOMTCT-UHFFFAOYSA-N 1 0 319.246 4.395 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)cc1 ZINC001237245857 1055407914 /nfs/dbraw/zinc/40/79/14/1055407914.db2.gz JTHLJDZLXUZOQK-AZUAARDMSA-N 1 0 322.839 4.105 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1[nH]nc2c1cccc2Br ZINC001237294920 1055417805 /nfs/dbraw/zinc/41/78/05/1055417805.db2.gz ILIGRIIBZOPNBX-UHFFFAOYSA-N 1 0 322.250 4.114 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237342093 1055433795 /nfs/dbraw/zinc/43/37/95/1055433795.db2.gz IYPJPMHJRPRTJS-UHFFFAOYSA-N 1 0 304.434 4.432 20 30 DIEDRO CCCCCCCC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001537815770 1055448137 /nfs/dbraw/zinc/44/81/37/1055448137.db2.gz XVHMBXPJJVUFNY-APWZRJJASA-N 1 0 304.478 4.155 20 30 DIEDRO CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC001237467788 1055455696 /nfs/dbraw/zinc/45/56/96/1055455696.db2.gz AWPWCYPPPVKNJR-KRWDZBQOSA-N 1 0 309.438 4.012 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(CCCc3ccccc3)CC2)ccn1 ZINC001237459861 1055456213 /nfs/dbraw/zinc/45/62/13/1055456213.db2.gz XCKYWNMMODTVAP-UHFFFAOYSA-N 1 0 319.452 4.188 20 30 DIEDRO Cn1cc(C[N@H+](C)[C@H]2CCc3ccccc32)c2cc(C#N)ccc21 ZINC001237471853 1055457972 /nfs/dbraw/zinc/45/79/72/1055457972.db2.gz JEENPKMSWQQDPZ-FQEVSTJZSA-N 1 0 315.420 4.169 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c2cc(C#N)ccc21 ZINC001237471794 1055458060 /nfs/dbraw/zinc/45/80/60/1055458060.db2.gz ZQGVQENDGSGREK-LPHOPBHVSA-N 1 0 307.441 4.205 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c2cc(C#N)ccc21 ZINC001237471797 1055459157 /nfs/dbraw/zinc/45/91/57/1055459157.db2.gz ZQGVQENDGSGREK-VQIMIIECSA-N 1 0 307.441 4.205 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC001620855144 1055482802 /nfs/dbraw/zinc/48/28/02/1055482802.db2.gz LXBSAVLKDQXBSW-UHFFFAOYSA-N 1 0 311.425 4.045 20 30 DIEDRO CCCCC[NH+](CCCCC)Cc1cn2cc(C#N)ccc2n1 ZINC001237606316 1055484201 /nfs/dbraw/zinc/48/42/01/1055484201.db2.gz KHPVYCDGCDRSEH-UHFFFAOYSA-N 1 0 312.461 4.388 20 30 DIEDRO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCC(S)CC1 ZINC001237644504 1055493017 /nfs/dbraw/zinc/49/30/17/1055493017.db2.gz CPMHDBAOXBDPIT-UHFFFAOYSA-N 1 0 317.429 4.093 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237643784 1055493204 /nfs/dbraw/zinc/49/32/04/1055493204.db2.gz BYOYYSXQCBNBCT-UHFFFAOYSA-N 1 0 324.399 4.324 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CC1 ZINC001237665413 1055500911 /nfs/dbraw/zinc/50/09/11/1055500911.db2.gz LZFZNVNUQQJYME-INIZCTEOSA-N 1 0 306.409 4.185 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCSCC(C)C)cc1Cl ZINC001620890822 1055516378 /nfs/dbraw/zinc/51/63/78/1055516378.db2.gz FHRWBRHLDFNAFM-UHFFFAOYSA-N 1 0 313.894 4.384 20 30 DIEDRO CCc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001237749685 1055523743 /nfs/dbraw/zinc/52/37/43/1055523743.db2.gz MJHPVVCVBVMBDK-CYBMUJFWSA-N 1 0 321.262 4.137 20 30 DIEDRO C=CCCCC[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001620911132 1055535260 /nfs/dbraw/zinc/53/52/60/1055535260.db2.gz XUZXZUNYTCCWKS-UHFFFAOYSA-N 1 0 304.434 4.480 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001620916207 1055537490 /nfs/dbraw/zinc/53/74/90/1055537490.db2.gz IOWVRYKYHHMUEC-INIZCTEOSA-N 1 0 300.377 4.457 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC001620931681 1055548324 /nfs/dbraw/zinc/54/83/24/1055548324.db2.gz FHRGQLUXFFNICJ-OAHLLOKOSA-N 1 0 303.446 4.245 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cn(C)nc2C2CCCC2)CCCC1 ZINC001620935143 1055550110 /nfs/dbraw/zinc/55/01/10/1055550110.db2.gz CHFAHQQEGSJYGK-UHFFFAOYSA-N 1 0 301.478 4.304 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1C1CCOCC1)C1CCCC1 ZINC001237901421 1055554991 /nfs/dbraw/zinc/55/49/91/1055554991.db2.gz BRGZTPUUNVEPMD-UHFFFAOYSA-N 1 0 312.457 4.239 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC001620943280 1055557334 /nfs/dbraw/zinc/55/73/34/1055557334.db2.gz QYWARQLUYWPLGM-RTWAWAEBSA-N 1 0 323.436 4.089 20 30 DIEDRO C=CC1(CC(=O)N(CCC)CC[NH+](CC)CC)CCCCC1 ZINC001127942730 1055561802 /nfs/dbraw/zinc/56/18/02/1055561802.db2.gz WMQHLIXUSPSJCJ-UHFFFAOYSA-N 1 0 308.510 4.093 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC001620950039 1055565042 /nfs/dbraw/zinc/56/50/42/1055565042.db2.gz NDUCXYZRTFGYAR-FPOVZHCZSA-N 1 0 319.448 4.372 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000765734636 1055573325 /nfs/dbraw/zinc/57/33/25/1055573325.db2.gz BFSPYPLHFUZQNW-DLBZAZTESA-N 1 0 323.436 4.076 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2OC)no1 ZINC000658357651 1055575151 /nfs/dbraw/zinc/57/51/51/1055575151.db2.gz QPEKDRGXXLFHSW-UONOGXRCSA-N 1 0 300.402 4.041 20 30 DIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1C(F)(F)F ZINC000921588516 1055577837 /nfs/dbraw/zinc/57/78/37/1055577837.db2.gz FLPCANATKFYREN-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001620957620 1055580547 /nfs/dbraw/zinc/58/05/47/1055580547.db2.gz LUUFAFKODROLKC-WQVCFCJDSA-N 1 0 313.363 4.073 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c(Cl)c1 ZINC001238087282 1055603713 /nfs/dbraw/zinc/60/37/13/1055603713.db2.gz YFURYPMQCASEKG-OAHLLOKOSA-N 1 0 306.812 4.316 20 30 DIEDRO CCCCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001595503366 1055604841 /nfs/dbraw/zinc/60/48/41/1055604841.db2.gz SGWHTGWYSRKARJ-LJQANCHMSA-N 1 0 316.489 4.128 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC001620960575 1055606842 /nfs/dbraw/zinc/60/68/42/1055606842.db2.gz QEFQEHITSKRFMA-UYAOXDASSA-N 1 0 323.484 4.448 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C(c1ccccc1)c1ccccc1 ZINC000030531848 1055628947 /nfs/dbraw/zinc/62/89/47/1055628947.db2.gz VHTZMJPKAKVNLM-MSOLQXFVSA-N 1 0 317.436 4.240 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(OCc3ccccc3)c2)C1 ZINC001238346087 1055644269 /nfs/dbraw/zinc/64/42/69/1055644269.db2.gz YQRXCADTZBHASL-QGZVFWFLSA-N 1 0 323.411 4.250 20 30 DIEDRO CC(C)Oc1cc(CN(CCC#N)C2CCCC2)ccc1F ZINC001238460233 1055662420 /nfs/dbraw/zinc/66/24/20/1055662420.db2.gz LHABIBLSWALCKQ-UHFFFAOYSA-N 1 0 304.409 4.271 20 30 DIEDRO CCCN(CCC#N)Cc1cc(OCC)cc(C(F)(F)F)c1 ZINC001238494566 1055671594 /nfs/dbraw/zinc/67/15/94/1055671594.db2.gz FUQIVWUXSYIRDA-UHFFFAOYSA-N 1 0 314.351 4.230 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238556836 1055687580 /nfs/dbraw/zinc/68/75/80/1055687580.db2.gz YZFLODXPCNNTAB-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@]2(CCN(CCCC(F)(F)F)C2)C1 ZINC001278254130 1055693022 /nfs/dbraw/zinc/69/30/22/1055693022.db2.gz PXQLNMJNCGJTGJ-MRXNPFEDSA-N 1 0 318.427 4.083 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cnc1-c1ccccc1 ZINC001238615415 1055698385 /nfs/dbraw/zinc/69/83/85/1055698385.db2.gz ORYWZOGMQWSZFO-QGZVFWFLSA-N 1 0 305.425 4.183 20 30 DIEDRO CCCCCCCCc1ccc(C[N@@H+]2CC[C@@H](CO)C2)s1 ZINC001238730055 1055737943 /nfs/dbraw/zinc/73/79/43/1055737943.db2.gz RMNJKMZHGLXIQA-MRXNPFEDSA-N 1 0 309.519 4.465 20 30 DIEDRO CCc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)ccc1C#N ZINC001238778202 1055750645 /nfs/dbraw/zinc/75/06/45/1055750645.db2.gz KUICWRFYHOVOQU-FQEVSTJZSA-N 1 0 322.477 4.411 20 30 DIEDRO N#Cc1cc(-c2ccc(C3CC3)cc2)ccc1OC1CC[NH2+]CC1 ZINC001238831954 1055758831 /nfs/dbraw/zinc/75/88/31/1055758831.db2.gz PNBUBWURRHZEFJ-UHFFFAOYSA-N 1 0 318.420 4.233 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001238844475 1055765690 /nfs/dbraw/zinc/76/56/90/1055765690.db2.gz JBCJQNYGQSESGD-CQSZACIVSA-N 1 0 316.326 4.321 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnn(C(F)F)c2)cc1 ZINC001238869539 1055773483 /nfs/dbraw/zinc/77/34/83/1055773483.db2.gz LRVDUISXLYWJJK-MRXNPFEDSA-N 1 0 303.356 4.268 20 30 DIEDRO CC(C)(C[NH2+]Cc1csc(C#N)c1)c1ccccc1Cl ZINC001649054709 1055775006 /nfs/dbraw/zinc/77/50/06/1055775006.db2.gz GIIYYBNMKHELFW-UHFFFAOYSA-N 1 0 304.846 4.341 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001597046504 1055780306 /nfs/dbraw/zinc/78/03/06/1055780306.db2.gz HOGJIVGONOEFQU-KRWDZBQOSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCCC[C@@H](C(=O)Nc1cc(N(C)C)cc[nH+]1)c1ccccc1 ZINC001566819047 1055782810 /nfs/dbraw/zinc/78/28/10/1055782810.db2.gz PXQQEZZAUCQZTQ-GOSISDBHSA-N 1 0 323.440 4.226 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC001566990379 1055789216 /nfs/dbraw/zinc/78/92/16/1055789216.db2.gz XVTFYOVZVXWBRX-RCCFBDPRSA-N 1 0 310.526 4.314 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001566990376 1055789394 /nfs/dbraw/zinc/78/93/94/1055789394.db2.gz XVTFYOVZVXWBRX-KSZLIROESA-N 1 0 310.526 4.314 20 30 DIEDRO COc1ccccc1/C=C/C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC001620974560 1055814675 /nfs/dbraw/zinc/81/46/75/1055814675.db2.gz QEBOBBYEIKJUDU-MUPIXQSSSA-N 1 0 318.420 4.247 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cccc(CCO)c2)cc1 ZINC001239035702 1055828133 /nfs/dbraw/zinc/82/81/33/1055828133.db2.gz UTRDMGSZXLFBJO-NRFANRHFSA-N 1 0 307.437 4.211 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N(C)CCCC[NH3+] ZINC001239293249 1055859935 /nfs/dbraw/zinc/85/99/35/1055859935.db2.gz BSAXCZZQUFUQEU-UHFFFAOYSA-N 1 0 313.530 4.288 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1c1ccc(/C=C/c2ccc(C#N)cc2)nc1 ZINC001239292529 1055861100 /nfs/dbraw/zinc/86/11/00/1055861100.db2.gz WYHMZOCGHKCMMC-BQYDLMEBSA-N 1 0 303.409 4.280 20 30 DIEDRO N#Cc1ccc(/C=C/c2cncc(C[NH+]3CCCCC3)c2)cc1 ZINC001239303663 1055862513 /nfs/dbraw/zinc/86/25/13/1055862513.db2.gz VDUHMABOGAOMNK-RMKNXTFCSA-N 1 0 303.409 4.110 20 30 DIEDRO C[NH+](C)CCc1c[nH]c2ccc(/C=C/c3ccc(C#N)cc3)cc12 ZINC001239310739 1055864269 /nfs/dbraw/zinc/86/42/69/1055864269.db2.gz YMIJVCIMWXNIQC-ZZXKWVIFSA-N 1 0 315.420 4.314 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC001569545723 1055865137 /nfs/dbraw/zinc/86/51/37/1055865137.db2.gz SIOBVHYSKVHSQS-HWOXTHGCSA-N 1 0 308.510 4.236 20 30 DIEDRO CCCCCCCCCCOC(=O)N[C@@H](C(C)C)C1C[NH2+]C1 ZINC001239326986 1055873930 /nfs/dbraw/zinc/87/39/30/1055873930.db2.gz LDAQXDNPNJTXEF-KRWDZBQOSA-N 1 0 312.498 4.097 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001569790893 1055873751 /nfs/dbraw/zinc/87/37/51/1055873751.db2.gz SHMUEQDDTNLMFB-ROUUACIJSA-N 1 0 322.537 4.316 20 30 DIEDRO CSc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1 ZINC001239498254 1055913044 /nfs/dbraw/zinc/91/30/44/1055913044.db2.gz IBIBKCNIOKSILE-UHFFFAOYSA-N 1 0 308.450 4.220 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(OC)c(F)c2)cc1 ZINC001239518515 1055926187 /nfs/dbraw/zinc/92/61/87/1055926187.db2.gz LHMVUHMBDXHQRT-SFHVURJKSA-N 1 0 312.388 4.219 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001615645450 1055927335 /nfs/dbraw/zinc/92/73/35/1055927335.db2.gz YZOQHVPBYCJISK-KGLIPLIRSA-N 1 0 311.347 4.057 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CC3CCC2CC3)c1 ZINC001620983108 1055937015 /nfs/dbraw/zinc/93/70/15/1055937015.db2.gz TWYFWKKXEQXHOK-KVZIAJEVSA-N 1 0 312.457 4.285 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3cc(C)ccc32)cc1OC ZINC001620767932 1055937119 /nfs/dbraw/zinc/93/71/19/1055937119.db2.gz PYICQWCDHDHPPP-LJQANCHMSA-N 1 0 323.436 4.346 20 30 DIEDRO C=CCC1([NH2+]CCCOc2ccc3c(c2)OCO3)CCCCC1 ZINC001620499470 1055957497 /nfs/dbraw/zinc/95/74/97/1055957497.db2.gz RHNBEMQFAYMMIR-UHFFFAOYSA-N 1 0 317.429 4.053 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168593714 1055966332 /nfs/dbraw/zinc/96/63/32/1055966332.db2.gz DPQXNRWUXHQOOK-IEBWSBKVSA-N 1 0 305.462 4.475 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC001620794574 1055972067 /nfs/dbraw/zinc/97/20/67/1055972067.db2.gz USLNLVRZPCTUFU-OAQYLSRUSA-N 1 0 307.437 4.362 20 30 DIEDRO C=CCC1([NH2+]Cc2nccc(C)c2Br)CCCC1 ZINC001621006386 1055972454 /nfs/dbraw/zinc/97/24/54/1055972454.db2.gz HTQJEMLJAADNHK-UHFFFAOYSA-N 1 0 309.251 4.131 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC001621016670 1055982149 /nfs/dbraw/zinc/98/21/49/1055982149.db2.gz SEFQSBXICVTDDM-UHFFFAOYSA-N 1 0 319.342 4.459 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCCc2ccccc21 ZINC001620709109 1055985083 /nfs/dbraw/zinc/98/50/83/1055985083.db2.gz SYOKOHZTTOVFOT-LJQANCHMSA-N 1 0 304.437 4.385 20 30 DIEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC001621023592 1055989177 /nfs/dbraw/zinc/98/91/77/1055989177.db2.gz RBSHVRVVVTUDJM-CYBMUJFWSA-N 1 0 319.857 4.196 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@](C)(CC)c2ccc(F)cc2)cc1 ZINC001621030257 1055992186 /nfs/dbraw/zinc/99/21/86/1055992186.db2.gz ZNUYZLKYNMKAIT-HXUWFJFHSA-N 1 0 311.400 4.253 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(C(OC)OC)ccc1F ZINC001621028870 1055992640 /nfs/dbraw/zinc/99/26/40/1055992640.db2.gz UPVUXBYEWHABQP-UHFFFAOYSA-N 1 0 309.425 4.199 20 30 DIEDRO CC[C@](C)([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(F)cc1 ZINC001621030194 1055992752 /nfs/dbraw/zinc/99/27/52/1055992752.db2.gz XTKJRDFSEHYANY-IBGZPJMESA-N 1 0 312.388 4.121 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCCc2c(cccc2OC)C1)c1ccncc1 ZINC001620799769 1055994533 /nfs/dbraw/zinc/99/45/33/1055994533.db2.gz KIMNTKGSQDHENP-AZUAARDMSA-N 1 0 322.452 4.245 20 30 DIEDRO CC(C)(C)CCC[NH2+]Cc1cc(C#N)ccc1Br ZINC001620807070 1056001727 /nfs/dbraw/zinc/00/17/27/1056001727.db2.gz JOPLSXJBBYTMMN-UHFFFAOYSA-N 1 0 309.251 4.237 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCCC1 ZINC001621044996 1056003305 /nfs/dbraw/zinc/00/33/05/1056003305.db2.gz FWVDTCSDEFUAPR-UHFFFAOYSA-N 1 0 301.336 4.260 20 30 DIEDRO Cc1ccc(O[C@@H](C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001620815290 1056008734 /nfs/dbraw/zinc/00/87/34/1056008734.db2.gz SRPDXACQQLFGAD-KRWDZBQOSA-N 1 0 320.436 4.107 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(C#N)ccc1Br ZINC001621057089 1056014294 /nfs/dbraw/zinc/01/42/94/1056014294.db2.gz QIEIECVJYVZRQL-UHFFFAOYSA-N 1 0 321.262 4.403 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC001540381883 1056022295 /nfs/dbraw/zinc/02/22/95/1056022295.db2.gz YHUWJTZKPRRJJV-UHFFFAOYSA-N 1 0 324.424 4.234 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1ccc2cc(C#N)c(C#N)cc2c1 ZINC001239683471 1056026771 /nfs/dbraw/zinc/02/67/71/1056026771.db2.gz IVCWYGCITMDXBV-UHFFFAOYSA-N 1 0 311.388 4.312 20 30 DIEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC001621339223 1056045370 /nfs/dbraw/zinc/04/53/70/1056045370.db2.gz FKEXTOWWUXHMBJ-FXAWDEMLSA-N 1 0 305.425 4.017 20 30 DIEDRO C=CC(C)(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001540579581 1056047078 /nfs/dbraw/zinc/04/70/78/1056047078.db2.gz AWYQBIJTJCUJRQ-MRXNPFEDSA-N 1 0 322.880 4.051 20 30 DIEDRO C=C[C@@H](CC)CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001540757544 1056072134 /nfs/dbraw/zinc/07/21/34/1056072134.db2.gz IVKQSRPKEVBRHZ-INIZCTEOSA-N 1 0 300.446 4.213 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC001610276690 1056072577 /nfs/dbraw/zinc/07/25/77/1056072577.db2.gz FCAKEWOQWBDUCG-ROUUACIJSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001542186500 1056107730 /nfs/dbraw/zinc/10/77/30/1056107730.db2.gz YWXXTLIHYZRINL-KRWDZBQOSA-N 1 0 322.537 4.364 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001542186501 1056108112 /nfs/dbraw/zinc/10/81/12/1056108112.db2.gz YWXXTLIHYZRINL-QGZVFWFLSA-N 1 0 322.537 4.364 20 30 DIEDRO CC(C)c1ccccc1-c1ccc(OC2CC[NH2+]CC2)c(C#N)c1 ZINC001239865726 1056117565 /nfs/dbraw/zinc/11/75/65/1056117565.db2.gz GQFAHDAHLYIWON-UHFFFAOYSA-N 1 0 320.436 4.479 20 30 DIEDRO N#Cc1cccc(CNC2(c3ccc(Cl)cc3)CC2)c1F ZINC000553334629 1056131430 /nfs/dbraw/zinc/13/14/30/1056131430.db2.gz WVINQQCQDXSRRL-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC000616092145 1056148396 /nfs/dbraw/zinc/14/83/96/1056148396.db2.gz PCKBPBDOEMAVIT-LJQANCHMSA-N 1 0 324.399 4.218 20 30 DIEDRO C=C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1)c1ccccc1 ZINC001168632048 1056256662 /nfs/dbraw/zinc/25/66/62/1056256662.db2.gz XIZIBMCEVVOVCX-NRSPTQNISA-N 1 0 323.436 4.432 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001543592865 1056259915 /nfs/dbraw/zinc/25/99/15/1056259915.db2.gz NKRGAPGTDLADQB-ZWKOTPCHSA-N 1 0 308.510 4.212 20 30 DIEDRO N#CC1CCC(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000929231447 1056313683 /nfs/dbraw/zinc/31/36/83/1056313683.db2.gz GVZOPXMAZXTTOC-JCYILVPMSA-N 1 0 318.486 4.059 20 30 DIEDRO C[C@H]1C[C@H](Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000301541256 1056332887 /nfs/dbraw/zinc/33/28/87/1056332887.db2.gz NMOCWUPANKACPO-HNAYVOBHSA-N 1 0 323.415 4.162 20 30 DIEDRO C[C@H]1C[C@H](Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000301535508 1056334312 /nfs/dbraw/zinc/33/43/12/1056334312.db2.gz LMFWPSUMTSNHCS-OXJNMPFZSA-N 1 0 305.425 4.023 20 30 DIEDRO C[C@@H]1C[C@H](Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000301541255 1056334702 /nfs/dbraw/zinc/33/47/02/1056334702.db2.gz NMOCWUPANKACPO-DNVCBOLYSA-N 1 0 323.415 4.162 20 30 DIEDRO CC[NH+](CC)CC[C@@H](Nc1cc(C#N)cc(C)n1)c1ccccc1 ZINC001613069167 1056348530 /nfs/dbraw/zinc/34/85/30/1056348530.db2.gz SUAGEIRUKSMXOY-LJQANCHMSA-N 1 0 322.456 4.147 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000554308002 1056353950 /nfs/dbraw/zinc/35/39/50/1056353950.db2.gz HHHQNIXSDKKJTP-SFHVURJKSA-N 1 0 324.424 4.159 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cn1 ZINC000554497299 1056356955 /nfs/dbraw/zinc/35/69/55/1056356955.db2.gz LLZCDFLXJVRDCW-UHFFFAOYSA-N 1 0 313.832 4.265 20 30 DIEDRO N#Cc1ccc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])cc1F ZINC001240161925 1056357791 /nfs/dbraw/zinc/35/77/91/1056357791.db2.gz AQVWIWLRIVYOHH-PMACEKPBSA-N 1 0 324.399 4.151 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1-c1ccc(C#N)c(F)c1 ZINC001240162437 1056359451 /nfs/dbraw/zinc/35/94/51/1056359451.db2.gz LMVDMCFILVDLIV-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#CCc1cc(-c2cccc(C[NH+]3CCCCC3)c2)ccc1C#N ZINC001240170125 1056362792 /nfs/dbraw/zinc/36/27/92/1056362792.db2.gz YQUGMOYBJRRCMP-UHFFFAOYSA-N 1 0 315.420 4.277 20 30 DIEDRO N#CCOc1ccccc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001240175317 1056363647 /nfs/dbraw/zinc/36/36/47/1056363647.db2.gz ZWKRMUKIQRKWDF-UHFFFAOYSA-N 1 0 306.409 4.242 20 30 DIEDRO COc1cccc(-c2cccc(C[NH+]3CCCCC3)c2)c1C#N ZINC001240174864 1056364464 /nfs/dbraw/zinc/36/44/64/1056364464.db2.gz RQKRPYOKHKZPEN-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO N#Cc1c[nH]c2ncc(-c3cccc(C[NH+]4CCCCC4)c3)cc12 ZINC001240174915 1056364632 /nfs/dbraw/zinc/36/46/32/1056364632.db2.gz UOCYZTZCIALAMX-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000554719760 1056372902 /nfs/dbraw/zinc/37/29/02/1056372902.db2.gz KFFGGFUPTSXZKO-RTBURBONSA-N 1 0 324.399 4.117 20 30 DIEDRO N#Cc1cc(-c2ccc(F)c(C(F)(F)F)c2)cc(C2C[NH2+]C2)c1 ZINC001240345505 1056438553 /nfs/dbraw/zinc/43/85/53/1056438553.db2.gz JWOMCJKRZFWBTC-UHFFFAOYSA-N 1 0 320.289 4.070 20 30 DIEDRO COc1cc2ccccc2cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240355397 1056443999 /nfs/dbraw/zinc/44/39/99/1056443999.db2.gz FNVIDRCBIURDHT-UHFFFAOYSA-N 1 0 314.388 4.074 20 30 DIEDRO N#Cc1cc(-c2ccc(-c3cccs3)nc2)cc(C2C[NH2+]C2)c1 ZINC001240361793 1056445215 /nfs/dbraw/zinc/44/52/15/1056445215.db2.gz WCGJSKPUNGAWKX-UHFFFAOYSA-N 1 0 317.417 4.036 20 30 DIEDRO Cc1c(C)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ccc1OC(C)C ZINC001240361351 1056445372 /nfs/dbraw/zinc/44/53/72/1056445372.db2.gz PHVBBYCMWJWMSI-UHFFFAOYSA-N 1 0 320.436 4.316 20 30 DIEDRO COc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc(C(C)C)c1 ZINC001240361741 1056445784 /nfs/dbraw/zinc/44/57/84/1056445784.db2.gz UZGHVQKPOWCCHV-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1 ZINC001168656789 1056447712 /nfs/dbraw/zinc/44/77/12/1056447712.db2.gz HFZWBEOOFVUHIP-OWCLPIDISA-N 1 0 313.363 4.393 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000057872126 1056452764 /nfs/dbraw/zinc/45/27/64/1056452764.db2.gz DLFCHRDFROATMY-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO N#CCCc1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001240386538 1056468339 /nfs/dbraw/zinc/46/83/39/1056468339.db2.gz BRPIWLIDFBSIGT-UHFFFAOYSA-N 1 0 302.421 4.432 20 30 DIEDRO N#Cc1c[nH]c2ccc(C3=CCC[N@H+](Cc4ccccc4)C3)cc12 ZINC001240388747 1056471061 /nfs/dbraw/zinc/47/10/61/1056471061.db2.gz URUNMFTXVHBAOV-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO N#Cc1cc2cc(C3=CCC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC001240388082 1056471084 /nfs/dbraw/zinc/47/10/84/1056471084.db2.gz AHIGBAGUKWXCIR-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO N#CCCc1cccc(C2=CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001240388006 1056471147 /nfs/dbraw/zinc/47/11/47/1056471147.db2.gz YGYFEWZIEWDBIZ-UHFFFAOYSA-N 1 0 302.421 4.432 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(Cl)c(C#N)c2)nc1 ZINC001240401472 1056484497 /nfs/dbraw/zinc/48/44/97/1056484497.db2.gz YNDITQQEVHBAKZ-GOSISDBHSA-N 1 0 311.816 4.430 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CC1CCCCCC1)C(C)C ZINC001585127716 1056489420 /nfs/dbraw/zinc/48/94/20/1056489420.db2.gz BEBYVEDQRMJJLN-LJQANCHMSA-N 1 0 320.521 4.162 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC2(CCC2)O1 ZINC001615332033 1056494075 /nfs/dbraw/zinc/49/40/75/1056494075.db2.gz GQDKOBSZTOZMAU-LJQANCHMSA-N 1 0 312.457 4.260 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H](O)c1cccc(C#N)c1 ZINC001615337466 1056494276 /nfs/dbraw/zinc/49/42/76/1056494276.db2.gz LLQOLDFBVOOQIB-PMACEKPBSA-N 1 0 308.425 4.065 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1c(C)cc(C#N)cc1C ZINC001615332417 1056494520 /nfs/dbraw/zinc/49/45/20/1056494520.db2.gz OVSUSMHIXSGLKG-UHFFFAOYSA-N 1 0 315.420 4.235 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCO[C@H](c2ccc(OC)cc2)C1)C(C)(C)C ZINC001168673163 1056505462 /nfs/dbraw/zinc/50/54/62/1056505462.db2.gz QRWTVYZXPIRWSU-WMZOPIPTSA-N 1 0 303.446 4.202 20 30 DIEDRO COc1ccc(C[N@H+](C)CC#Cc2ccccc2Cl)cc1C ZINC001615423172 1056508491 /nfs/dbraw/zinc/50/84/91/1056508491.db2.gz SCQWTMCORMYAGX-UHFFFAOYSA-N 1 0 313.828 4.141 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921818824 1056514503 /nfs/dbraw/zinc/51/45/03/1056514503.db2.gz YYOYHVFGXKFZIQ-GTNSWQLSSA-N 1 0 300.402 4.172 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921818823 1056514538 /nfs/dbraw/zinc/51/45/38/1056514538.db2.gz YYOYHVFGXKFZIQ-DIFFPNOSSA-N 1 0 300.402 4.172 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)c2)s1 ZINC000765937261 1056516081 /nfs/dbraw/zinc/51/60/81/1056516081.db2.gz IIYDDMPKOVPGMM-RHSMWYFYSA-N 1 0 321.449 4.459 20 30 DIEDRO N#Cc1ccc(-c2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc2)o1 ZINC001240457307 1056519512 /nfs/dbraw/zinc/51/95/12/1056519512.db2.gz ZREMTTBGVRVJMV-UHFFFAOYSA-N 1 0 300.361 4.131 20 30 DIEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)cc1 ZINC001615500979 1056522438 /nfs/dbraw/zinc/52/24/38/1056522438.db2.gz YMRDZFLCKMWGNS-IBGZPJMESA-N 1 0 308.400 4.213 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001615507320 1056524106 /nfs/dbraw/zinc/52/41/06/1056524106.db2.gz AEVQIYGZRBZDPG-HNNXBMFYSA-N 1 0 312.844 4.317 20 30 DIEDRO C=C(C)CCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001544927659 1056528893 /nfs/dbraw/zinc/52/88/93/1056528893.db2.gz XAZBNNPEHPSKOQ-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CCC)cc1 ZINC000765940442 1056529465 /nfs/dbraw/zinc/52/94/65/1056529465.db2.gz DYIMUXPMQBPVTL-PBHICJAKSA-N 1 0 311.853 4.020 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC001615558634 1056533097 /nfs/dbraw/zinc/53/30/97/1056533097.db2.gz HEADNLVQFCBZEF-KXBFYZLASA-N 1 0 308.400 4.118 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cs1 ZINC000921840721 1056538572 /nfs/dbraw/zinc/53/85/72/1056538572.db2.gz PLVKBQLLZOCCCV-MRXNPFEDSA-N 1 0 310.422 4.156 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)o1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001615660934 1056555479 /nfs/dbraw/zinc/55/54/79/1056555479.db2.gz NKTYARRYNLPZEC-IBGZPJMESA-N 1 0 314.404 4.380 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC001615664363 1056558926 /nfs/dbraw/zinc/55/89/26/1056558926.db2.gz AECBMFHJWRIVJV-KUHUBIRLSA-N 1 0 324.399 4.289 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)CC2CCC(C#N)CC2)C12CCCCC2 ZINC001615718904 1056567796 /nfs/dbraw/zinc/56/77/96/1056567796.db2.gz DFSMRKQAYWJHBW-BTRQGYIVSA-N 1 0 318.505 4.376 20 30 DIEDRO CCCC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC001615740481 1056572049 /nfs/dbraw/zinc/57/20/49/1056572049.db2.gz OGQPJCDIVUBHBV-UHFFFAOYSA-N 1 0 321.262 4.333 20 30 DIEDRO CCCC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC001615740985 1056573443 /nfs/dbraw/zinc/57/34/43/1056573443.db2.gz ZIUVUMUFVWVEBD-UHFFFAOYSA-N 1 0 321.262 4.333 20 30 DIEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001615826525 1056582944 /nfs/dbraw/zinc/58/29/44/1056582944.db2.gz RSIOYKQKGCRGTK-RDJZCZTQSA-N 1 0 308.400 4.150 20 30 DIEDRO COc1ccc2c(c1)C[N@@H+](CCCC#N)[C@H](C1CCCCC1)C2 ZINC001615876252 1056589718 /nfs/dbraw/zinc/58/97/18/1056589718.db2.gz JCVURWGVMWTIFF-FQEVSTJZSA-N 1 0 312.457 4.306 20 30 DIEDRO CCC1(CC)[C@H]([N@H+](C)CCCCC2(C#N)CCC2)C[C@@H]1OC ZINC001615961478 1056601528 /nfs/dbraw/zinc/60/15/28/1056601528.db2.gz QCVSPTMLIFUWFK-SJORKVTESA-N 1 0 306.494 4.376 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCCCC1(C#N)CCC1 ZINC001615961475 1056602236 /nfs/dbraw/zinc/60/22/36/1056602236.db2.gz QCVSPTMLIFUWFK-IAGOWNOFSA-N 1 0 306.494 4.376 20 30 DIEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001615989133 1056603800 /nfs/dbraw/zinc/60/38/00/1056603800.db2.gz XBCBYRWZWYOGTA-VQIMIIECSA-N 1 0 300.446 4.228 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C)C1(CC)CC ZINC001615998957 1056605988 /nfs/dbraw/zinc/60/59/88/1056605988.db2.gz MDDFXBIKFMKABB-MOPGFXCFSA-N 1 0 314.473 4.282 20 30 DIEDRO CCC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001616160448 1056615962 /nfs/dbraw/zinc/61/59/62/1056615962.db2.gz YWXQUYQFAHSGRG-CYBMUJFWSA-N 1 0 321.262 4.333 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@@H](c2ccccc2)C2CCC2)c1 ZINC001616302738 1056630065 /nfs/dbraw/zinc/63/00/65/1056630065.db2.gz YMOARJRZOJNKND-NRFANRHFSA-N 1 0 320.436 4.458 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cncc(C(C)(C)O)c2)cc1 ZINC001240669287 1056632864 /nfs/dbraw/zinc/63/28/64/1056632864.db2.gz PKPSOPDBNNHSSY-HXUWFJFHSA-N 1 0 322.452 4.299 20 30 DIEDRO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CC1CCC(C#N)CC1 ZINC001616333140 1056635286 /nfs/dbraw/zinc/63/52/86/1056635286.db2.gz XHUBZZKKPDBLNT-HSBZDZAISA-N 1 0 304.384 4.214 20 30 DIEDRO CCCCCn1cc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c(C)n1 ZINC000921952822 1056673404 /nfs/dbraw/zinc/67/34/04/1056673404.db2.gz FJACZRNDHFCWPI-UHFFFAOYSA-N 1 0 324.472 4.160 20 30 DIEDRO COCC#CC[NH2+][C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC001616601591 1056684150 /nfs/dbraw/zinc/68/41/50/1056684150.db2.gz VXZDQDATMYLXMM-INIZCTEOSA-N 1 0 313.363 4.032 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)[NH2+]CC2(CC#N)CC2)cc1 ZINC001616786228 1056716984 /nfs/dbraw/zinc/71/69/84/1056716984.db2.gz FLTRSSKHOSAKNC-UHFFFAOYSA-N 1 0 300.446 4.240 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000922001851 1056723105 /nfs/dbraw/zinc/72/31/05/1056723105.db2.gz SXUJPEINVFSPGH-CTNGQTDRSA-N 1 0 320.436 4.185 20 30 DIEDRO CCc1ccc(C2=CC[N@H+](Cc3ccc(C#N)s3)CC2)cc1 ZINC001616831235 1056724107 /nfs/dbraw/zinc/72/41/07/1056724107.db2.gz DPTOBPCLWWDOHB-UHFFFAOYSA-N 1 0 308.450 4.471 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001616824702 1056724403 /nfs/dbraw/zinc/72/44/03/1056724403.db2.gz SHNWLOALKALUCV-IBGZPJMESA-N 1 0 314.379 4.193 20 30 DIEDRO CC[C@H](C#N)c1ccc(-c2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001240854529 1056728630 /nfs/dbraw/zinc/72/86/30/1056728630.db2.gz CADGGLOAODNTFM-QGZVFWFLSA-N 1 0 319.452 4.123 20 30 DIEDRO CCCCCCCCCC(=O)NCC12CCC[NH+](CCC1)C2 ZINC001586420757 1056732567 /nfs/dbraw/zinc/73/25/67/1056732567.db2.gz GDNXFLSGYMHDGC-UHFFFAOYSA-N 1 0 308.510 4.119 20 30 DIEDRO CC(C)CSCCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898460 1056734751 /nfs/dbraw/zinc/73/47/51/1056734751.db2.gz CKOVTICIPVHYDB-UHFFFAOYSA-N 1 0 314.498 4.427 20 30 DIEDRO N#CC1(c2ccccc2-c2cccc3cccnc32)CC[NH2+]CC1 ZINC001240895694 1056748085 /nfs/dbraw/zinc/74/80/85/1056748085.db2.gz PUWOWVDJYVPKDK-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO CCC1(CC)C[N@H+](Cc2cc(Cl)cc(C#N)c2)CCS1 ZINC001617023979 1056760369 /nfs/dbraw/zinc/76/03/69/1056760369.db2.gz OZCJFTOSMOPAHF-UHFFFAOYSA-N 1 0 308.878 4.319 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1csc(C#N)c1 ZINC000922044715 1056761322 /nfs/dbraw/zinc/76/13/22/1056761322.db2.gz WRGGWYSMGGHJMF-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO N#Cc1ccnc(C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC001617094851 1056775658 /nfs/dbraw/zinc/77/56/58/1056775658.db2.gz BYYKVXCLHIKMDV-GOSISDBHSA-N 1 0 319.433 4.088 20 30 DIEDRO Cc1ccc(-c2ncc3c(c2C#N)CCC[NH2+]C3)c2ccccc12 ZINC001241004979 1056808724 /nfs/dbraw/zinc/80/87/24/1056808724.db2.gz IROMMUHPRXKZCA-UHFFFAOYSA-N 1 0 313.404 4.118 20 30 DIEDRO N#Cc1cncc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1 ZINC001617345915 1056817579 /nfs/dbraw/zinc/81/75/79/1056817579.db2.gz VRDCZMKKGFDORJ-PWRODBHTSA-N 1 0 317.436 4.111 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1ccccc1 ZINC000922144627 1056845238 /nfs/dbraw/zinc/84/52/38/1056845238.db2.gz HFWYVQLQGUQGNG-HXUWFJFHSA-N 1 0 319.452 4.485 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)cs1 ZINC000922149880 1056852245 /nfs/dbraw/zinc/85/22/45/1056852245.db2.gz MMXZBAUSKDGRKM-MRXNPFEDSA-N 1 0 304.365 4.065 20 30 DIEDRO C=CCN(C)CC[N@@H+](CC)Cc1ccc(C(C)(C)CC)cc1 ZINC001617598374 1056854144 /nfs/dbraw/zinc/85/41/44/1056854144.db2.gz YTLBVMRYZIQBOP-UHFFFAOYSA-N 1 0 302.506 4.314 20 30 DIEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2cc(C)cc(C)c2)CCCC1(C)C ZINC001617604299 1056856866 /nfs/dbraw/zinc/85/68/66/1056856866.db2.gz RQMRFJPTYNLCOC-GOSISDBHSA-N 1 0 314.473 4.309 20 30 DIEDRO C=C(Cl)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC001617741611 1056876036 /nfs/dbraw/zinc/87/60/36/1056876036.db2.gz DINJCBPIRXXFPY-UHFFFAOYSA-N 1 0 314.654 4.414 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1Cc2cccc(Cl)c2C1)c1cccc(C#N)c1 ZINC001168703628 1056883444 /nfs/dbraw/zinc/88/34/44/1056883444.db2.gz HXLRYXOKKQZZTR-VQIMIIECSA-N 1 0 310.828 4.420 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001617790669 1056883583 /nfs/dbraw/zinc/88/35/83/1056883583.db2.gz AFRXNNYNEURJKB-FGZHOGPDSA-N 1 0 319.448 4.432 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001617874837 1056894596 /nfs/dbraw/zinc/89/45/96/1056894596.db2.gz IIDKXWMOTGHLPB-FQEVSTJZSA-N 1 0 324.553 4.314 20 30 DIEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001618084330 1056921803 /nfs/dbraw/zinc/92/18/03/1056921803.db2.gz RRXSDCKAPCGTAW-GOEBONIOSA-N 1 0 320.274 4.115 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001618227523 1056937094 /nfs/dbraw/zinc/93/70/94/1056937094.db2.gz GVHJXNGCTPUIKZ-IRXDYDNUSA-N 1 0 324.509 4.288 20 30 DIEDRO C[C@@H](C[N@H+](C)CCOCc1ccc(C#N)cc1)C1CCCCC1 ZINC001618273182 1056942850 /nfs/dbraw/zinc/94/28/50/1056942850.db2.gz HJDGWHPUWFVELF-KRWDZBQOSA-N 1 0 314.473 4.223 20 30 DIEDRO N#Cc1ccnc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC001168712010 1056970101 /nfs/dbraw/zinc/97/01/01/1056970101.db2.gz HGUZINAXJYXKQU-SFHVURJKSA-N 1 0 311.816 4.238 20 30 DIEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(Cl)c(Cl)c1Cl ZINC001168713328 1056975263 /nfs/dbraw/zinc/97/52/63/1056975263.db2.gz YHVAKWSQPRJGDS-DTWKUNHWSA-N 1 0 321.635 4.226 20 30 DIEDRO N#Cc1cc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)cs1 ZINC000922214769 1056977424 /nfs/dbraw/zinc/97/74/24/1056977424.db2.gz SWTQZEYTCOOSGZ-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCCOC1)c1ccc(C(F)(F)F)cc1 ZINC000358355752 1056984195 /nfs/dbraw/zinc/98/41/95/1056984195.db2.gz SITDZUGEQZGLAW-HOTGVXAUSA-N 1 0 313.363 4.481 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc(Oc3ccccn3)c2)CCOCC1 ZINC000922244116 1056986158 /nfs/dbraw/zinc/98/61/58/1056986158.db2.gz KBCWQMLUIDCPKT-UHFFFAOYSA-N 1 0 324.424 4.089 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)cs2)c1 ZINC000785468994 1056989144 /nfs/dbraw/zinc/98/91/44/1056989144.db2.gz PIPHKOHMYXGFAJ-CQSZACIVSA-N 1 0 320.845 4.372 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccncc1 ZINC000785468352 1057006127 /nfs/dbraw/zinc/00/61/27/1057006127.db2.gz HTTQCISZQBJYJK-OAHLLOKOSA-N 1 0 311.410 4.205 20 30 DIEDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922329530 1057009106 /nfs/dbraw/zinc/00/91/06/1057009106.db2.gz GIRMHBVBNOKMGE-UHFFFAOYSA-N 1 0 320.436 4.351 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccccc1 ZINC000922335456 1057011202 /nfs/dbraw/zinc/01/12/02/1057011202.db2.gz SDNBNCLAQCXWGN-SFHVURJKSA-N 1 0 301.409 4.040 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@]1(C)CCOC2(CCC2)C1 ZINC000922346083 1057014309 /nfs/dbraw/zinc/01/43/09/1057014309.db2.gz VRWJFSQCKDEKKP-IBGZPJMESA-N 1 0 312.457 4.004 20 30 DIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)cc1 ZINC000013002133 1057015182 /nfs/dbraw/zinc/01/51/82/1057015182.db2.gz UKPDANWXITXYGH-FQEVSTJZSA-N 1 0 306.409 4.294 20 30 DIEDRO COc1cc(C)cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001143149525 1057019365 /nfs/dbraw/zinc/01/93/65/1057019365.db2.gz FIJAKCYJXNFUGS-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c2ccccc2n1 ZINC000123875951 1057029699 /nfs/dbraw/zinc/02/96/99/1057029699.db2.gz MKPUYDOJZQJJIV-UHFFFAOYSA-N 1 0 301.393 4.047 20 30 DIEDRO Cc1cc(C)c(C#N)c(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001241386845 1057033708 /nfs/dbraw/zinc/03/37/08/1057033708.db2.gz LDSLHTWRCPAIQG-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO Cc1ccc(CC#N)c(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001241388294 1057034749 /nfs/dbraw/zinc/03/47/49/1057034749.db2.gz AUIKOMJMDVKUMO-UHFFFAOYSA-N 1 0 305.425 4.109 20 30 DIEDRO N#Cc1cc2nc(-c3ccc(C[NH+]4CCCCC4)cc3)ccc2[nH]1 ZINC001241387562 1057034820 /nfs/dbraw/zinc/03/48/20/1057034820.db2.gz UUSQZVLXSKSPJY-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1CC#N ZINC001241388424 1057034840 /nfs/dbraw/zinc/03/48/40/1057034840.db2.gz IFPFARIFCSTJEF-UHFFFAOYSA-N 1 0 320.436 4.414 20 30 DIEDRO COc1cc(-c2ccc(C[NH+]3CCCCC3)cc2)ccc1CC#N ZINC001241388449 1057034844 /nfs/dbraw/zinc/03/48/44/1057034844.db2.gz JICHZAMUVMAFEX-UHFFFAOYSA-N 1 0 320.436 4.414 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000922580321 1057034928 /nfs/dbraw/zinc/03/49/28/1057034928.db2.gz BOPDYUJSJXOSEO-LJQANCHMSA-N 1 0 305.425 4.124 20 30 DIEDRO C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1Cl ZINC000555233972 1057039159 /nfs/dbraw/zinc/03/91/59/1057039159.db2.gz HJGVHTSLDDBTNY-MCIONIFRSA-N 1 0 320.864 4.456 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(C(F)(F)F)cc1 ZINC000154880718 1057039608 /nfs/dbraw/zinc/03/96/08/1057039608.db2.gz LFNKSVKTCILXDM-UHFFFAOYSA-N 1 0 310.344 4.271 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC)s2)cc1 ZINC001241415732 1057046099 /nfs/dbraw/zinc/04/60/99/1057046099.db2.gz GZVHGURZRHHRHU-OAHLLOKOSA-N 1 0 300.427 4.142 20 30 DIEDRO N#Cc1ccc(-c2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cn1 ZINC001241434323 1057048670 /nfs/dbraw/zinc/04/86/70/1057048670.db2.gz NCMMIMWNLKOOQO-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO Cc1nc(C2=CC[N@H+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC001241502915 1057070180 /nfs/dbraw/zinc/07/01/80/1057070180.db2.gz COQDDFVOHXPKTJ-UHFFFAOYSA-N 1 0 317.436 4.168 20 30 DIEDRO N#Cc1cc2cc(C3=CC[N@H+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC001241505686 1057077780 /nfs/dbraw/zinc/07/77/80/1057077780.db2.gz YEKSPLCURYKUOY-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(CC#N)c(OC)c2)cc1 ZINC001241580616 1057096538 /nfs/dbraw/zinc/09/65/38/1057096538.db2.gz IOTZTTSGXRRQFI-UHFFFAOYSA-N 1 0 308.425 4.270 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(F)c(C#N)c2F)cc1 ZINC001241586154 1057099799 /nfs/dbraw/zinc/09/97/99/1057099799.db2.gz ODUVDMHNPOSKNZ-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000766017398 1057106416 /nfs/dbraw/zinc/10/64/16/1057106416.db2.gz BICLMSPZKNWMJH-PBHICJAKSA-N 1 0 311.385 4.266 20 30 DIEDRO CC[N@H+](Cc1cccc2nsnc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000766018643 1057108739 /nfs/dbraw/zinc/10/87/39/1057108739.db2.gz NIOWVGGAJXOEDZ-ZDUSSCGKSA-N 1 0 322.437 4.146 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](CC)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766018429 1057109104 /nfs/dbraw/zinc/10/91/04/1057109104.db2.gz HYAOBENPQPFSLR-MSOLQXFVSA-N 1 0 324.424 4.211 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCCc2cc(OC)ccc21)c1ccncc1 ZINC000766018128 1057109735 /nfs/dbraw/zinc/10/97/35/1057109735.db2.gz GCJYYSJMSQTZCK-WOJBJXKFSA-N 1 0 308.425 4.375 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1OC)c1ccncc1 ZINC000766019511 1057110412 /nfs/dbraw/zinc/11/04/12/1057110412.db2.gz MDXFYZANEARTAS-KDOFPFPSSA-N 1 0 312.413 4.067 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(F)c1)c1ccncc1 ZINC000766020593 1057117758 /nfs/dbraw/zinc/11/77/58/1057117758.db2.gz QNOVFEWKQKREJJ-SUMWQHHRSA-N 1 0 300.377 4.197 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)c1ccncc1 ZINC000766020480 1057118357 /nfs/dbraw/zinc/11/83/57/1057118357.db2.gz MWMFOWQVVCLBRY-SCLBCKFNSA-N 1 0 300.377 4.197 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 ZINC000766020513 1057118656 /nfs/dbraw/zinc/11/86/56/1057118656.db2.gz PYXUHOLQCSWCNE-OXJNMPFZSA-N 1 0 318.424 4.235 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccncc1 ZINC000766021408 1057121935 /nfs/dbraw/zinc/12/19/35/1057121935.db2.gz SSZXBEWNOBGMQW-KBXCAEBGSA-N 1 0 311.385 4.266 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](COC)CC1CCOCC1)c1ccccc1 ZINC000657931778 1057122608 /nfs/dbraw/zinc/12/26/08/1057122608.db2.gz SODVPIATIHGULS-UXHICEINSA-N 1 0 317.473 4.115 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000766023023 1057123653 /nfs/dbraw/zinc/12/36/53/1057123653.db2.gz ZMJNRWHCPSPEHT-RHSMWYFYSA-N 1 0 311.385 4.266 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000766023024 1057124234 /nfs/dbraw/zinc/12/42/34/1057124234.db2.gz ZMJNRWHCPSPEHT-WMLDXEAASA-N 1 0 311.385 4.266 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000766023022 1057124241 /nfs/dbraw/zinc/12/42/41/1057124241.db2.gz ZMJNRWHCPSPEHT-PBHICJAKSA-N 1 0 311.385 4.266 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1cc(F)cc(C#N)c1 ZINC001241660301 1057126857 /nfs/dbraw/zinc/12/68/57/1057126857.db2.gz LWQWKAPQUIIOLN-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc3ccncc3c2)CC[NH2+]CC1 ZINC001241677938 1057133426 /nfs/dbraw/zinc/13/34/26/1057133426.db2.gz XBHNOYKWGJTPSG-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO N#Cc1ccc(OCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000029212959 1057136951 /nfs/dbraw/zinc/13/69/51/1057136951.db2.gz KUBFSKHWMKEZAF-UHFFFAOYSA-N 1 0 323.783 4.251 20 30 DIEDRO C=CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000073982196 1057140504 /nfs/dbraw/zinc/14/05/04/1057140504.db2.gz JEVGWDQDFUUHEB-UHFFFAOYSA-N 1 0 320.436 4.115 20 30 DIEDRO N#CCc1ccccc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241759927 1057159319 /nfs/dbraw/zinc/15/93/19/1057159319.db2.gz ZHFBLIBVBHDEFY-UHFFFAOYSA-N 1 0 320.436 4.284 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC)cc2C)cc1 ZINC001241776500 1057162030 /nfs/dbraw/zinc/16/20/30/1057162030.db2.gz SFPIFWHPXADSEF-LJQANCHMSA-N 1 0 308.425 4.389 20 30 DIEDRO C#Cc1cccc(-c2ccc(CO[C@H]3CCCC[C@@H]3[NH3+])c(F)c2)c1 ZINC001241919303 1057210803 /nfs/dbraw/zinc/21/08/03/1057210803.db2.gz DZYBKCHHAIDOFG-SFTDATJTSA-N 1 0 323.411 4.261 20 30 DIEDRO COc1ccc(C2([NH2+]Cc3cccc(C#N)c3)CCCC2)cc1 ZINC000172149917 1057249457 /nfs/dbraw/zinc/24/94/57/1057249457.db2.gz YEMSWLCPNISAOD-UHFFFAOYSA-N 1 0 306.409 4.126 20 30 DIEDRO N#Cc1cc(-c2cccc(C[NH+]3CCCC3)c2)nc2ccccc12 ZINC001242117938 1057268120 /nfs/dbraw/zinc/26/81/20/1057268120.db2.gz YEHYRUXKCKRIQB-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](SC)C2)cc1 ZINC000766062037 1057268311 /nfs/dbraw/zinc/26/83/11/1057268311.db2.gz UCGQIJIGUBMQDI-ZVZYQTTQSA-N 1 0 303.471 4.023 20 30 DIEDRO C=CC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000701918704 1057276659 /nfs/dbraw/zinc/27/66/59/1057276659.db2.gz JLVWSUMMQBWEOC-MQVJKMGUSA-N 1 0 322.493 4.109 20 30 DIEDRO CC[C@H](C#N)c1ccc(-c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001242150238 1057279781 /nfs/dbraw/zinc/27/97/81/1057279781.db2.gz DGFRATOKJOHSKD-MRXNPFEDSA-N 1 0 308.425 4.311 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000674911988 1057300212 /nfs/dbraw/zinc/30/02/12/1057300212.db2.gz ALWOYEYQVAAUMB-SNVBAGLBSA-N 1 0 323.259 4.237 20 30 DIEDRO COc1cccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C)cn2)c1C#N ZINC001242298204 1057326037 /nfs/dbraw/zinc/32/60/37/1057326037.db2.gz HPZUYICFYASYKN-HNNXBMFYSA-N 1 0 321.424 4.003 20 30 DIEDRO Cc1cc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)cnc1C#N ZINC001242357237 1057343484 /nfs/dbraw/zinc/34/34/84/1057343484.db2.gz MFLYOYSROUAQDP-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000173926692 1057346780 /nfs/dbraw/zinc/34/67/80/1057346780.db2.gz MPLGMONAYZRCOE-HNNXBMFYSA-N 1 0 321.424 4.148 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000174243875 1057354217 /nfs/dbraw/zinc/35/42/17/1057354217.db2.gz QVPFYCILUPWUAJ-HXUWFJFHSA-N 1 0 302.377 4.225 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)o1 ZINC000174337561 1057358781 /nfs/dbraw/zinc/35/87/81/1057358781.db2.gz JHINBDRKNMPSTM-UHFFFAOYSA-N 1 0 300.789 4.016 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246338383 1057366612 /nfs/dbraw/zinc/36/66/12/1057366612.db2.gz FAAJPJOLYVOKGC-LBTNJELSSA-N 1 0 312.438 4.143 20 30 DIEDRO Cc1cc([C@H]([NH2+]CCc2ccc(C#N)cc2)C2CC2)ccc1F ZINC001168757514 1057369601 /nfs/dbraw/zinc/36/96/01/1057369601.db2.gz GLFBGRSVCYMWNO-HXUWFJFHSA-N 1 0 308.400 4.289 20 30 DIEDRO N#Cc1cc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)ccc1O ZINC001242566394 1057406634 /nfs/dbraw/zinc/40/66/34/1057406634.db2.gz WUOMGBBGUDLAOZ-UHFFFAOYSA-N 1 0 310.372 4.056 20 30 DIEDRO N#Cc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)ccc1O ZINC001242566422 1057407642 /nfs/dbraw/zinc/40/76/42/1057407642.db2.gz YQLSTYCLRDQYTQ-UHFFFAOYSA-N 1 0 310.372 4.056 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001242570668 1057409314 /nfs/dbraw/zinc/40/93/14/1057409314.db2.gz RHVNXPPTMUZOAL-UHFFFAOYSA-N 1 0 321.811 4.023 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2ccc([C@@H]3CCC[NH2+]3)c(F)c2)c1 ZINC001242570488 1057409371 /nfs/dbraw/zinc/40/93/71/1057409371.db2.gz NDTATSMLAREQPB-KRWDZBQOSA-N 1 0 300.764 4.442 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1 ZINC000675782179 1057413539 /nfs/dbraw/zinc/41/35/39/1057413539.db2.gz NBZXFZLTJHTPII-CQSZACIVSA-N 1 0 315.388 4.207 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000675784200 1057413965 /nfs/dbraw/zinc/41/39/65/1057413965.db2.gz WAKSMYDWPCEDES-MRXNPFEDSA-N 1 0 311.425 4.376 20 30 DIEDRO C=C(C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000675784507 1057414089 /nfs/dbraw/zinc/41/40/89/1057414089.db2.gz YJXJSTKAFIYTKE-SFHVURJKSA-N 1 0 322.452 4.324 20 30 DIEDRO N#Cc1cc(F)ccc1-c1ccccc1CO[C@H]1CCCC[C@@H]1[NH3+] ZINC001242584594 1057415239 /nfs/dbraw/zinc/41/52/39/1057415239.db2.gz XREXEZPNTFBQHF-PMACEKPBSA-N 1 0 324.399 4.151 20 30 DIEDRO Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cn2)c(C#N)c1 ZINC001242591192 1057417246 /nfs/dbraw/zinc/41/72/46/1057417246.db2.gz KBILVQLNCCXGFP-INIZCTEOSA-N 1 0 305.425 4.303 20 30 DIEDRO N#Cc1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)nc2ccccc12 ZINC001242690114 1057448011 /nfs/dbraw/zinc/44/80/11/1057448011.db2.gz RFOMMMZBFFEGSW-QGZVFWFLSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1c2cccnc2ccc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242695765 1057451117 /nfs/dbraw/zinc/45/11/17/1057451117.db2.gz VQYSHOXZJITENJ-INIZCTEOSA-N 1 0 303.409 4.138 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(C2=CC(=O)C[C@@H](C)C2)nc1 ZINC001242739499 1057464638 /nfs/dbraw/zinc/46/46/38/1057464638.db2.gz DNRDGLNGEFWWOX-MGPUTAFESA-N 1 0 312.457 4.401 20 30 DIEDRO Cc1cc(-c2ccc(SC3CC[NH2+]CC3)cc2)ccc1C#N ZINC001242770885 1057469469 /nfs/dbraw/zinc/46/94/69/1057469469.db2.gz OCOKUJCSPPTNOE-UHFFFAOYSA-N 1 0 308.450 4.378 20 30 DIEDRO C=CC(C)(C)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000706508755 1057470393 /nfs/dbraw/zinc/47/03/93/1057470393.db2.gz PRJZMLPXZPMFFG-UHFFFAOYSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000676724303 1057498041 /nfs/dbraw/zinc/49/80/41/1057498041.db2.gz AJMQLOHVPDMXIM-HNNXBMFYSA-N 1 0 309.335 4.226 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)nc2C)cc1 ZINC001242929777 1057521187 /nfs/dbraw/zinc/52/11/87/1057521187.db2.gz NGNXSGNWQGHVDY-LJQANCHMSA-N 1 0 308.425 4.389 20 30 DIEDRO C[C@]1([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCOc2ccccc21 ZINC000923026767 1057521971 /nfs/dbraw/zinc/52/19/71/1057521971.db2.gz WZYRMDTVGHOIGQ-FQEVSTJZSA-N 1 0 318.420 4.029 20 30 DIEDRO CC#Cc1cncc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001242941892 1057525148 /nfs/dbraw/zinc/52/51/48/1057525148.db2.gz GOCVNVCSUKDKAW-UHFFFAOYSA-N 1 0 308.400 4.245 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)c1ccco1 ZINC000671762125 1057558006 /nfs/dbraw/zinc/55/80/06/1057558006.db2.gz DADDXTOUIATQME-AZUAARDMSA-N 1 0 313.441 4.118 20 30 DIEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000611268909 1057587114 /nfs/dbraw/zinc/58/71/14/1057587114.db2.gz BYVSHARERFWSDD-QGZVFWFLSA-N 1 0 312.438 4.356 20 30 DIEDRO C[N@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)CC(C)(C)CCC#N ZINC000611266734 1057587271 /nfs/dbraw/zinc/58/72/71/1057587271.db2.gz FSLWAPWPZUIJLJ-RTBURBONSA-N 1 0 314.473 4.416 20 30 DIEDRO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000611259261 1057587759 /nfs/dbraw/zinc/58/77/59/1057587759.db2.gz AOPVSSYUKIBELJ-MRXNPFEDSA-N 1 0 321.449 4.481 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000611380275 1057593350 /nfs/dbraw/zinc/59/33/50/1057593350.db2.gz AGQQHECFCKQIQX-GOSISDBHSA-N 1 0 311.404 4.359 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(CO)ccc2OC)cc1 ZINC001243174786 1057593723 /nfs/dbraw/zinc/59/37/23/1057593723.db2.gz AACFDWXJFXEHCN-FQEVSTJZSA-N 1 0 323.436 4.177 20 30 DIEDRO C[C@@H]([NH2+]CCSc1ccccc1F)c1cccc(C#N)c1 ZINC000611389138 1057594856 /nfs/dbraw/zinc/59/48/56/1057594856.db2.gz XKQKHMWTAXHPMB-CYBMUJFWSA-N 1 0 300.402 4.140 20 30 DIEDRO C[C@H](COc1cccc(F)c1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390759 1057595098 /nfs/dbraw/zinc/59/50/98/1057595098.db2.gz AWVSXRAMGRHWEF-VLIAUNLRSA-N 1 0 324.399 4.132 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccc(Cl)s1 ZINC000611392538 1057595207 /nfs/dbraw/zinc/59/52/07/1057595207.db2.gz UCQUKPOHZUUNPP-MRXNPFEDSA-N 1 0 316.857 4.483 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc2ccccc2[nH]1 ZINC000611391942 1057595373 /nfs/dbraw/zinc/59/53/73/1057595373.db2.gz BMGKCYICXOBVNU-FQEVSTJZSA-N 1 0 301.393 4.207 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCOc2ccccc21 ZINC000611392837 1057595577 /nfs/dbraw/zinc/59/55/77/1057595577.db2.gz OTNLYJLUZCRPGK-YLJYHZDGSA-N 1 0 318.420 4.092 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC000611377317 1057595615 /nfs/dbraw/zinc/59/56/15/1057595615.db2.gz KWWLHJONUOPDPY-INIZCTEOSA-N 1 0 324.424 4.077 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000611393317 1057595631 /nfs/dbraw/zinc/59/56/31/1057595631.db2.gz BUBHOUYUQYVTOC-RTWAWAEBSA-N 1 0 319.452 4.360 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc(Cl)s1 ZINC000611392537 1057595654 /nfs/dbraw/zinc/59/56/54/1057595654.db2.gz UCQUKPOHZUUNPP-INIZCTEOSA-N 1 0 316.857 4.483 20 30 DIEDRO COc1cccc(C[C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394240 1057596127 /nfs/dbraw/zinc/59/61/27/1057596127.db2.gz YEBRDOYENMNXAA-QVKFZJNVSA-N 1 0 320.436 4.165 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000611394597 1057596195 /nfs/dbraw/zinc/59/61/95/1057596195.db2.gz SABIGALECGGGMP-AZUAARDMSA-N 1 0 324.468 4.407 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000611394232 1057596217 /nfs/dbraw/zinc/59/62/17/1057596217.db2.gz XIDZLPCDIRDGQJ-OALUTQOASA-N 1 0 322.383 4.188 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1c(C)noc1C ZINC000611394375 1057596637 /nfs/dbraw/zinc/59/66/37/1057596637.db2.gz GBLSTHAIMQNUMU-ZWKOTPCHSA-N 1 0 309.413 4.281 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1c[nH]c2ccccc12 ZINC000611390252 1057597227 /nfs/dbraw/zinc/59/72/27/1057597227.db2.gz MFKMGVXDOVMBHV-HXUWFJFHSA-N 1 0 315.420 4.249 20 30 DIEDRO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391190 1057597876 /nfs/dbraw/zinc/59/78/76/1057597876.db2.gz ZFJJLOVOXFZSLB-UIAACRFSSA-N 1 0 312.457 4.121 20 30 DIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2ccnc(C#N)c2)cc1 ZINC000611389645 1057598273 /nfs/dbraw/zinc/59/82/73/1057598273.db2.gz OYOOAVHKFVAFEV-AWEZNQCLSA-N 1 0 311.454 4.305 20 30 DIEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2ccnc(C#N)c2)cc1 ZINC000611389646 1057598408 /nfs/dbraw/zinc/59/84/08/1057598408.db2.gz OYOOAVHKFVAFEV-CQSZACIVSA-N 1 0 311.454 4.305 20 30 DIEDRO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391189 1057598503 /nfs/dbraw/zinc/59/85/03/1057598503.db2.gz ZFJJLOVOXFZSLB-CDHQVMDDSA-N 1 0 312.457 4.121 20 30 DIEDRO COc1cccc(C2([NH2+][C@H]3CCCc4cc(C#N)ccc43)CC2)c1 ZINC000611475531 1057602398 /nfs/dbraw/zinc/60/23/98/1057602398.db2.gz OUMDZLUDZCILKX-FQEVSTJZSA-N 1 0 318.420 4.223 20 30 DIEDRO C[C@@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000611477058 1057603176 /nfs/dbraw/zinc/60/31/76/1057603176.db2.gz XSYVCOKCGJRWNJ-QGZVFWFLSA-N 1 0 320.436 4.348 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc(O)cc2)cc1 ZINC000611526283 1057605065 /nfs/dbraw/zinc/60/50/65/1057605065.db2.gz MWSYXUJFAFWBTQ-UHFFFAOYSA-N 1 0 314.388 4.221 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1nc2c(cc1C#N)CCCC2 ZINC001243339522 1057652259 /nfs/dbraw/zinc/65/22/59/1057652259.db2.gz NWAWDKPIACDJJQ-UHFFFAOYSA-N 1 0 319.452 4.341 20 30 DIEDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000727839065 1057676953 /nfs/dbraw/zinc/67/69/53/1057676953.db2.gz VMHQEFLWNXNOOG-AZUAARDMSA-N 1 0 313.489 4.485 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000730109615 1057703329 /nfs/dbraw/zinc/70/33/29/1057703329.db2.gz UDJFYENCWRPJSL-OAQYLSRUSA-N 1 0 319.452 4.122 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(OCC#N)cc2)nc1 ZINC001243588584 1057725540 /nfs/dbraw/zinc/72/55/40/1057725540.db2.gz KCHWGLWIYMNTMQ-INIZCTEOSA-N 1 0 321.424 4.025 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)cc1C#N ZINC001168765345 1057734683 /nfs/dbraw/zinc/73/46/83/1057734683.db2.gz IMPAYSYKSWHFEZ-FQEVSTJZSA-N 1 0 310.416 4.363 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731210443 1057737502 /nfs/dbraw/zinc/73/75/02/1057737502.db2.gz NKSOWZRPJYLBAI-CQSZACIVSA-N 1 0 314.816 4.435 20 30 DIEDRO CCC[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCc2ccccc21 ZINC000731212193 1057737866 /nfs/dbraw/zinc/73/78/66/1057737866.db2.gz YINIXFUUDDXXMD-NRFANRHFSA-N 1 0 320.436 4.488 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000731211653 1057738224 /nfs/dbraw/zinc/73/82/24/1057738224.db2.gz SPAMCGBAQRZOHD-HXUWFJFHSA-N 1 0 306.409 4.235 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(C#N)c(CC#N)c3)cc2)CC1 ZINC001243654585 1057745089 /nfs/dbraw/zinc/74/50/89/1057745089.db2.gz HXDRSSCKCJWILF-UHFFFAOYSA-N 1 0 315.420 4.101 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3cc(CC#N)ccc3F)cc2)CC1 ZINC001243656726 1057745628 /nfs/dbraw/zinc/74/56/28/1057745628.db2.gz HJGPQVWWAJGPKL-UHFFFAOYSA-N 1 0 308.400 4.368 20 30 DIEDRO N#Cc1ccccc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731845729 1057756000 /nfs/dbraw/zinc/75/60/00/1057756000.db2.gz ISLNXAIBFGMYJF-UHFFFAOYSA-N 1 0 306.409 4.209 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(OC)cc2C#N)c1 ZINC001243732347 1057765229 /nfs/dbraw/zinc/76/52/29/1057765229.db2.gz PCZRJNHYABJDMM-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO C[NH+](C)CCOc1cccc(-c2ccc3cc(C#N)sc3c2)c1 ZINC001243748378 1057769727 /nfs/dbraw/zinc/76/97/27/1057769727.db2.gz OZNWHEGGPXKBLL-UHFFFAOYSA-N 1 0 322.433 4.380 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000732232634 1057771267 /nfs/dbraw/zinc/77/12/67/1057771267.db2.gz NPXYIFCMMAWDFS-MDOVXXIYSA-N 1 0 306.409 4.001 20 30 DIEDRO N#C[C@@H]1CC=C(c2ccc3ncn([C@H]4CCC[NH2+]CC4)c3c2)CC1 ZINC001243796703 1057781295 /nfs/dbraw/zinc/78/12/95/1057781295.db2.gz KFHNSSQULYEMIN-QAPCUYQASA-N 1 0 320.440 4.058 20 30 DIEDRO C=CC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)CC1CCCCC1 ZINC000732667218 1057783039 /nfs/dbraw/zinc/78/30/39/1057783039.db2.gz LFRIMGYVQDUUCU-SFHVURJKSA-N 1 0 309.400 4.067 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000733322142 1057811478 /nfs/dbraw/zinc/81/14/78/1057811478.db2.gz NIFPFKRPHSFBLS-SFHVURJKSA-N 1 0 307.437 4.200 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cc3ccccc3s2)cc1 ZINC000733325934 1057812728 /nfs/dbraw/zinc/81/27/28/1057812728.db2.gz ZJLKHXJYZRBFGK-UHFFFAOYSA-N 1 0 307.418 4.203 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(Cl)s2)cc1 ZINC000733324566 1057812806 /nfs/dbraw/zinc/81/28/06/1057812806.db2.gz KUZAFFNTJDMFDV-UHFFFAOYSA-N 1 0 319.857 4.136 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccccc2OC(C)C)cc1 ZINC000733324705 1057813069 /nfs/dbraw/zinc/81/30/69/1057813069.db2.gz VBLWNPOBOJWXRA-QGZVFWFLSA-N 1 0 323.436 4.337 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000733327411 1057813876 /nfs/dbraw/zinc/81/38/76/1057813876.db2.gz QPMLZKCMACYXOM-UHFFFAOYSA-N 1 0 323.411 4.397 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccccc2C)C(C)C)cc1 ZINC000733326506 1057814022 /nfs/dbraw/zinc/81/40/22/1057814022.db2.gz HGXSNZXXEDHCHW-OAQYLSRUSA-N 1 0 307.437 4.494 20 30 DIEDRO N#CC1(c2cccc(-c3ccc(C4CC[NH2+]CC4)cc3)c2)CC1 ZINC001244071759 1057857838 /nfs/dbraw/zinc/85/78/38/1057857838.db2.gz HAZJYSHSFOBPOV-UHFFFAOYSA-N 1 0 302.421 4.376 20 30 DIEDRO N#CC1(c2cccc(-c3cccc(C4CC[NH2+]CC4)c3)c2)CC1 ZINC001244073563 1057858639 /nfs/dbraw/zinc/85/86/39/1057858639.db2.gz CYPPNHAMHCJBBI-UHFFFAOYSA-N 1 0 302.421 4.376 20 30 DIEDRO N#CC1(c2cccc(-c3ccccc3C3CC[NH2+]CC3)c2)CC1 ZINC001244074649 1057859462 /nfs/dbraw/zinc/85/94/62/1057859462.db2.gz GCRCVLONWZBPHS-UHFFFAOYSA-N 1 0 302.421 4.376 20 30 DIEDRO N#CC1(c2cccc(-c3cncc(C[NH+]4CCCCC4)c3)c2)CC1 ZINC001244076838 1057860578 /nfs/dbraw/zinc/86/05/78/1057860578.db2.gz OSMOOHCWPJEBKG-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO N#CC1(c2ccc(-c3cccc(OCC[NH3+])c3)cc2)CCCC1 ZINC001244321936 1057933852 /nfs/dbraw/zinc/93/38/52/1057933852.db2.gz KBGZWCATGJNBLT-UHFFFAOYSA-N 1 0 306.409 4.026 20 30 DIEDRO N#Cc1ccc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c(Cl)c1 ZINC001244326806 1057934120 /nfs/dbraw/zinc/93/41/20/1057934120.db2.gz DXACAKWKMCWSTH-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO Cc1ccc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)cc1C#N ZINC001244480435 1057971723 /nfs/dbraw/zinc/97/17/23/1057971723.db2.gz XKPZPLYIUXXWGB-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C)c(C#N)c2)nc1 ZINC001244482430 1057972067 /nfs/dbraw/zinc/97/20/67/1057972067.db2.gz MIPDDZZAKWKTDW-FQEVSTJZSA-N 1 0 305.425 4.476 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)cc2C)cc1 ZINC001244583544 1058001875 /nfs/dbraw/zinc/00/18/75/1058001875.db2.gz ACTHXIVWDYKRLH-OAQYLSRUSA-N 1 0 307.437 4.477 20 30 DIEDRO COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C)cn2)cc1C#N ZINC001244707682 1058031920 /nfs/dbraw/zinc/03/19/20/1058031920.db2.gz NYXSVSFNAKSUCN-HNNXBMFYSA-N 1 0 321.424 4.003 20 30 DIEDRO COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3C)cn2)cc1C#N ZINC001244707687 1058032186 /nfs/dbraw/zinc/03/21/86/1058032186.db2.gz NYXSVSFNAKSUCN-OAHLLOKOSA-N 1 0 321.424 4.003 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1cc(C[NH+]2CCCCC2)ccn1 ZINC001244715784 1058033937 /nfs/dbraw/zinc/03/39/37/1058033937.db2.gz DOMCUTKPMRDLLK-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO COc1ccc(-c2cccc(C#N)c2C)cc1C[NH+]1CCCC1 ZINC001244820682 1058052935 /nfs/dbraw/zinc/05/29/35/1058052935.db2.gz XCIMKJHDZOWTEH-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2cccc3sc(C#N)nc32)c1F ZINC001244866167 1058060869 /nfs/dbraw/zinc/06/08/69/1058060869.db2.gz IKUDAXGKXVQRGZ-UHFFFAOYSA-N 1 0 311.385 4.036 20 30 DIEDRO N#CC1(c2ccccc2-c2cc3c(cccc3F)o2)CC[NH2+]CC1 ZINC001244927974 1058072873 /nfs/dbraw/zinc/07/28/73/1058072873.db2.gz DVONVVNPUYDNJJ-UHFFFAOYSA-N 1 0 320.367 4.384 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(OC)cnc2F)cc1 ZINC001245064123 1058106097 /nfs/dbraw/zinc/10/60/97/1058106097.db2.gz NWEGKFOWPBYRSP-GOSISDBHSA-N 1 0 312.388 4.219 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cccc(C#N)c2F)ccc1OC ZINC001245072739 1058106998 /nfs/dbraw/zinc/10/69/98/1058106998.db2.gz QTYGLTAPCKQYIA-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(OC(C)C)nc2)cc1 ZINC001245264942 1058136612 /nfs/dbraw/zinc/13/66/12/1058136612.db2.gz RZVPZEZAAWPABX-IBGZPJMESA-N 1 0 323.440 4.254 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2ccc(C#N)c3[nH]ccc32)cc1 ZINC001245340448 1058146822 /nfs/dbraw/zinc/14/68/22/1058146822.db2.gz XXMVZGSTVXSPIU-UHFFFAOYSA-N 1 0 319.408 4.037 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2cc(C#N)cc3[nH]ccc32)cc1 ZINC001245340234 1058146969 /nfs/dbraw/zinc/14/69/69/1058146969.db2.gz UMTQZACNYBIJFH-UHFFFAOYSA-N 1 0 319.408 4.037 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2cccc(C3(C#N)CC3)c2)cc1 ZINC001245339537 1058146999 /nfs/dbraw/zinc/14/69/99/1058146999.db2.gz XBNBROCNUFUXSX-UHFFFAOYSA-N 1 0 320.436 4.239 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2ccc(CS)cc2)cc1 ZINC001245341602 1058147461 /nfs/dbraw/zinc/14/74/61/1058147461.db2.gz NOCMJGGFNUUZNI-UHFFFAOYSA-N 1 0 301.455 4.114 20 30 DIEDRO N#Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)ncc1C(F)(F)F ZINC001245347002 1058149158 /nfs/dbraw/zinc/14/91/58/1058149158.db2.gz RCAAVMXTNZTGKT-HNNXBMFYSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)nc(C(F)(F)F)c1 ZINC001245348484 1058149486 /nfs/dbraw/zinc/14/94/86/1058149486.db2.gz XSDVHGYONAYFEO-AWEZNQCLSA-N 1 0 317.314 4.064 20 30 DIEDRO CO/N=C/c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc(F)c1F ZINC001245353509 1058150699 /nfs/dbraw/zinc/15/06/99/1058150699.db2.gz BRNJTTPSIYVDAK-CBVHTYNASA-N 1 0 316.351 4.037 20 30 DIEDRO Cc1ccc(-c2ccc(COC3CC[NH2+]CC3)cc2)c(C)c1C#N ZINC001245408307 1058161327 /nfs/dbraw/zinc/16/13/27/1058161327.db2.gz WKAMBPPTGDLDAL-UHFFFAOYSA-N 1 0 320.436 4.111 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(C2=CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001245426007 1058164522 /nfs/dbraw/zinc/16/45/22/1058164522.db2.gz LQPILRJTEVPKCE-LEWJYISDSA-N 1 0 324.468 4.218 20 30 DIEDRO C=C(C)CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001516575878 1058181802 /nfs/dbraw/zinc/18/18/02/1058181802.db2.gz HNRYGSMEAWKRCR-MRXNPFEDSA-N 1 0 300.446 4.356 20 30 DIEDRO C=CC(C)(C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001516577733 1058181825 /nfs/dbraw/zinc/18/18/25/1058181825.db2.gz ZCXYLXATGUSBNJ-OAHLLOKOSA-N 1 0 300.446 4.212 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1-c1ccc(C#N)cc1 ZINC001245497827 1058185566 /nfs/dbraw/zinc/18/55/66/1058185566.db2.gz SGNQOVFBLJXAJS-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO N#Cc1nccc2cc(-c3ccc(C4CC[NH2+]CC4)cc3)ccc21 ZINC001245527778 1058204726 /nfs/dbraw/zinc/20/47/26/1058204726.db2.gz ZSJMJKAOJVNYAT-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO Cc1ccc(C#N)c(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)c1 ZINC001245603117 1058279641 /nfs/dbraw/zinc/27/96/41/1058279641.db2.gz DOMCOBUSMOUBSN-NHCUHLMSSA-N 1 0 320.436 4.320 20 30 DIEDRO Cc1ccc(C#N)c(-c2ccc3c(c2)CCC32CC[NH2+]CC2)c1 ZINC001245604999 1058283053 /nfs/dbraw/zinc/28/30/53/1058283053.db2.gz VNRYBCWWTOJIKU-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO COc1ccc(-c2cc(C)ccc2C#N)cc1C[NH+]1CCCC1 ZINC001245606377 1058283593 /nfs/dbraw/zinc/28/35/93/1058283593.db2.gz ZNJUHOAPCHOHFN-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO N#Cc1cc(-c2cccc3ccoc32)ccc1OC1CC[NH2+]CC1 ZINC001245616978 1058287275 /nfs/dbraw/zinc/28/72/75/1058287275.db2.gz NKUVRQBCZVWPNE-UHFFFAOYSA-N 1 0 318.376 4.102 20 30 DIEDRO N#CC1(c2ccccc2-c2cccc3ccoc32)CC[NH2+]CC1 ZINC001245616358 1058287930 /nfs/dbraw/zinc/28/79/30/1058287930.db2.gz AIQJBORJMGTSSB-UHFFFAOYSA-N 1 0 302.377 4.245 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2ccc(C#C[Si](C)(C)C)nc2)cc1 ZINC001245908870 1058613175 /nfs/dbraw/zinc/61/31/75/1058613175.db2.gz AOHUQTXDNIXCDK-UHFFFAOYSA-N 1 0 308.501 4.171 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)cc1 ZINC001245909175 1058613332 /nfs/dbraw/zinc/61/33/32/1058613332.db2.gz JXIIUJAUHIWUBW-LSHDLFTRSA-N 1 0 322.330 4.374 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)cc1 ZINC001245912415 1058618495 /nfs/dbraw/zinc/61/84/95/1058618495.db2.gz JXWGITKUDRJPKC-UHFFFAOYSA-N 1 0 320.436 4.119 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCCNc2ccccc21 ZINC001246011290 1058655752 /nfs/dbraw/zinc/65/57/52/1058655752.db2.gz QUTWDCZGLZFXRE-PXNSSMCTSA-N 1 0 316.489 4.411 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1 ZINC001278435687 1058740512 /nfs/dbraw/zinc/74/05/12/1058740512.db2.gz UVXQZMDUMDAYML-HXUWFJFHSA-N 1 0 322.537 4.066 20 30 DIEDRO CCCCCCCCCC[NH2+][C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246212319 1058743740 /nfs/dbraw/zinc/74/37/40/1058743740.db2.gz NOEMZBOTMLALBW-CABCVRRESA-N 1 0 308.432 4.400 20 30 DIEDRO C=CCCC1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001557476013 1058754775 /nfs/dbraw/zinc/75/47/75/1058754775.db2.gz SNKUDUXHHDEKEE-GOSISDBHSA-N 1 0 318.505 4.036 20 30 DIEDRO CCCCCCCCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001557556595 1058766480 /nfs/dbraw/zinc/76/64/80/1058766480.db2.gz QDGKSQCQQNVZEO-KRWDZBQOSA-N 1 0 308.510 4.260 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312187 1058819112 /nfs/dbraw/zinc/81/91/12/1058819112.db2.gz BEHDSCWVNSEPTI-NJDAHSKKSA-N 1 0 319.452 4.092 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312188 1058820063 /nfs/dbraw/zinc/82/00/63/1058820063.db2.gz BEHDSCWVNSEPTI-NJYVYQBISA-N 1 0 319.452 4.092 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246317951 1058831736 /nfs/dbraw/zinc/83/17/36/1058831736.db2.gz PFDRYNMREBVKAL-OKZBNKHCSA-N 1 0 316.489 4.213 20 30 DIEDRO C=CCCC[C@H](NC(=O)[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC001558133833 1058840974 /nfs/dbraw/zinc/84/09/74/1058840974.db2.gz VVIRQIQBNCRRQD-ZWKOTPCHSA-N 1 0 314.473 4.073 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC[C@H](C(C)C)[NH+]2CCCCCC2)c1 ZINC001559062446 1058959326 /nfs/dbraw/zinc/95/93/26/1058959326.db2.gz XWBUIFYUTQDQPL-LJQANCHMSA-N 1 0 317.452 4.318 20 30 DIEDRO CC[N@H+](C)Cc1cccc(CNc2cc(C)cc(F)c2C#N)c1 ZINC001559080421 1058971190 /nfs/dbraw/zinc/97/11/90/1058971190.db2.gz GXTJWTMNUYTDPG-UHFFFAOYSA-N 1 0 311.404 4.070 20 30 DIEDRO CC(C)[C@H]1C[C@H](N(CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246769154 1059072549 /nfs/dbraw/zinc/07/25/49/1059072549.db2.gz IMKDGJWBGYIOAR-RTBURBONSA-N 1 0 305.510 4.092 20 30 DIEDRO C=CCN(Cc1ccccc1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246839912 1059118600 /nfs/dbraw/zinc/11/86/00/1059118600.db2.gz LFYRYBHCYIMICS-VXKWHMMOSA-N 1 0 320.480 4.038 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978594 1059223025 /nfs/dbraw/zinc/22/30/25/1059223025.db2.gz WKKUEOFZLCRNBR-CZUORRHYSA-N 1 0 312.379 4.006 20 30 DIEDRO C=CCCCCCc1nc2c(cccc2F)n1C1CC[NH2+]CC1 ZINC001247025507 1059252781 /nfs/dbraw/zinc/25/27/81/1059252781.db2.gz HQZOYMAHSWWEEC-UHFFFAOYSA-N 1 0 315.436 4.389 20 30 DIEDRO CC[N@H+](C[C@@H]1CCC2(CCC2)CO1)[C@H](C)c1ccc(C#N)cc1 ZINC001559494287 1059275143 /nfs/dbraw/zinc/27/51/43/1059275143.db2.gz BCZQTHUCTSACPV-APWZRJJASA-N 1 0 312.457 4.290 20 30 DIEDRO C[C@H](C#N)OCC[NH+](CC1CCCCC1)CC1CCCCC1 ZINC001559497236 1059278129 /nfs/dbraw/zinc/27/81/29/1059278129.db2.gz OQQPSPNHFOBKRI-QGZVFWFLSA-N 1 0 306.494 4.378 20 30 DIEDRO C#CC[N@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CCc2ccccc21 ZINC001559499045 1059283178 /nfs/dbraw/zinc/28/31/78/1059283178.db2.gz GRANNWBXLCUASX-NRFANRHFSA-N 1 0 300.405 4.291 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1OC ZINC001559505988 1059295416 /nfs/dbraw/zinc/29/54/16/1059295416.db2.gz UIVMMHWQFMYKEB-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO Cc1ncsc1CCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001559507510 1059297313 /nfs/dbraw/zinc/29/73/13/1059297313.db2.gz QGAYGHRKTJHUHR-UHFFFAOYSA-N 1 0 313.470 4.166 20 30 DIEDRO C=CC[N@H+](CC#Cc1cccc(Cl)c1)CCc1ccccc1 ZINC001559513037 1059305423 /nfs/dbraw/zinc/30/54/23/1059305423.db2.gz FBGKQSLKPLTWDP-UHFFFAOYSA-N 1 0 309.840 4.422 20 30 DIEDRO C=CC[N@H+](CCCc1cccc(OC)c1)CCc1ccccc1 ZINC001559513017 1059307928 /nfs/dbraw/zinc/30/79/28/1059307928.db2.gz DNJQVQXKZOXFRM-UHFFFAOYSA-N 1 0 309.453 4.359 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccc2cnccc2c1 ZINC001559513831 1059309809 /nfs/dbraw/zinc/30/98/09/1059309809.db2.gz IEIWIXFHZGQUNG-UHFFFAOYSA-N 1 0 302.421 4.466 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1c(C)cc(C#N)cc1C ZINC001559514116 1059312566 /nfs/dbraw/zinc/31/25/66/1059312566.db2.gz RYFIUOQLJVPSJW-UHFFFAOYSA-N 1 0 304.437 4.406 20 30 DIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)C1CCCCC1 ZINC001559523301 1059320372 /nfs/dbraw/zinc/32/03/72/1059320372.db2.gz NPNXYSBGOKZTTA-QGZVFWFLSA-N 1 0 314.473 4.223 20 30 DIEDRO CCCCCCCCNC(=S)Nc1ccc(C[NH+](C)C)cc1 ZINC001247160954 1059321695 /nfs/dbraw/zinc/32/16/95/1059321695.db2.gz XGVQEGUMRYSGOO-UHFFFAOYSA-N 1 0 321.534 4.395 20 30 DIEDRO CC(C)(CCc1ccccc1)[NH2+]CCCOc1cccc(C#N)c1 ZINC001559525476 1059326312 /nfs/dbraw/zinc/32/63/12/1059326312.db2.gz PKFFFCVXOKYPGH-UHFFFAOYSA-N 1 0 322.452 4.328 20 30 DIEDRO CC[C@@H](C)[C@H](C)[N@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC001559530976 1059329402 /nfs/dbraw/zinc/32/94/02/1059329402.db2.gz IQQHVRXIMFDBPF-CVEARBPZSA-N 1 0 300.446 4.226 20 30 DIEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC001559538439 1059340662 /nfs/dbraw/zinc/34/06/62/1059340662.db2.gz YJXVOYAYNZOSTQ-AWEZNQCLSA-N 1 0 305.418 4.196 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2C3CCCC2CCC3)cc1 ZINC001559541488 1059346448 /nfs/dbraw/zinc/34/64/48/1059346448.db2.gz QYHYXVULAWVVCK-UHFFFAOYSA-N 1 0 323.358 4.344 20 30 DIEDRO Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2C)cc1C#N ZINC001559548094 1059355212 /nfs/dbraw/zinc/35/52/12/1059355212.db2.gz KPRXGBAVPFQCEN-OAQYLSRUSA-N 1 0 304.437 4.382 20 30 DIEDRO C#CCCCCCC[NH+]1CCN(Cc2ccc(CC)s2)CC1 ZINC001559553045 1059365841 /nfs/dbraw/zinc/36/58/41/1059365841.db2.gz SBIJGJZWGQIHFZ-UHFFFAOYSA-N 1 0 318.530 4.012 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC001559555139 1059371255 /nfs/dbraw/zinc/37/12/55/1059371255.db2.gz SEGAOAUMEHTMHC-PXNSSMCTSA-N 1 0 304.437 4.439 20 30 DIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCCC3(C2)CCCCCC3)c1 ZINC001559576682 1059407438 /nfs/dbraw/zinc/40/74/38/1059407438.db2.gz ITJHUAHKRWLKIU-IBGZPJMESA-N 1 0 312.457 4.028 20 30 DIEDRO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001559584740 1059419081 /nfs/dbraw/zinc/41/90/81/1059419081.db2.gz VWIPSUJNWGXCRX-UHFFFAOYSA-N 1 0 310.482 4.064 20 30 DIEDRO CCC1(CC)[C@H]([N@H+](C)CCC2(C#N)CCCCC2)C[C@@H]1OC ZINC001559612544 1059443078 /nfs/dbraw/zinc/44/30/78/1059443078.db2.gz VZEDGKVPSJFBQJ-SJORKVTESA-N 1 0 306.494 4.376 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCC1(C#N)CCCCC1 ZINC001559612541 1059443368 /nfs/dbraw/zinc/44/33/68/1059443368.db2.gz VZEDGKVPSJFBQJ-DLBZAZTESA-N 1 0 306.494 4.376 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1(CC)CC ZINC001559619043 1059447782 /nfs/dbraw/zinc/44/77/82/1059447782.db2.gz SRQYNLFHIXRYRI-ROUUACIJSA-N 1 0 318.436 4.113 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC001559645878 1059471079 /nfs/dbraw/zinc/47/10/79/1059471079.db2.gz WGMNSYPJOTUKFQ-HXUWFJFHSA-N 1 0 306.409 4.068 20 30 DIEDRO CCCCCCCOc1ccc(-c2noc([C@H](C)[NH2+]C)n2)cc1 ZINC001247489703 1059498320 /nfs/dbraw/zinc/49/83/20/1059498320.db2.gz HEBVVJZGTCXSSY-AWEZNQCLSA-N 1 0 317.433 4.366 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CC(C)(C)C1 ZINC001559675658 1059503226 /nfs/dbraw/zinc/50/32/26/1059503226.db2.gz ODJWHSZUYLSVCQ-LBPRGKRZSA-N 1 0 321.262 4.189 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC001559684221 1059513883 /nfs/dbraw/zinc/51/38/83/1059513883.db2.gz AZBMCNSAJMJYFR-IBGZPJMESA-N 1 0 310.828 4.323 20 30 DIEDRO C=CC[N@H+](CCSCc1ccccc1)CCc1ccco1 ZINC001559689652 1059519364 /nfs/dbraw/zinc/51/93/64/1059519364.db2.gz UBOOSTHPPWQBSI-UHFFFAOYSA-N 1 0 301.455 4.244 20 30 DIEDRO CCCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001559691940 1059520326 /nfs/dbraw/zinc/52/03/26/1059520326.db2.gz VWFNVALEEJEMMP-HOTGVXAUSA-N 1 0 312.498 4.287 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(=O)OC)c1ccccc1 ZINC001559695891 1059526479 /nfs/dbraw/zinc/52/64/79/1059526479.db2.gz KEJFQGAKMQZQLH-QRVBRYPASA-N 1 0 315.457 4.263 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C(=O)OC)c1ccccc1 ZINC001559695892 1059527493 /nfs/dbraw/zinc/52/74/93/1059527493.db2.gz KEJFQGAKMQZQLH-QYZOEREBSA-N 1 0 315.457 4.263 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(=O)OC)c1ccccc1 ZINC001559695889 1059527790 /nfs/dbraw/zinc/52/77/90/1059527790.db2.gz KEJFQGAKMQZQLH-FHWLQOOXSA-N 1 0 315.457 4.263 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(C)c(F)c1 ZINC001559711379 1059538279 /nfs/dbraw/zinc/53/82/79/1059538279.db2.gz HTORWTQUWGKHAN-SFHVURJKSA-N 1 0 312.388 4.255 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCc1ccc(C#N)cc1)[C@@H]2C ZINC001559739327 1059569312 /nfs/dbraw/zinc/56/93/12/1059569312.db2.gz OAIPLZVEOVWJEN-JKSUJKDBSA-N 1 0 320.436 4.117 20 30 DIEDRO CCCCCCCc1ccc(-c2noc(CCC[NH2+]C)n2)cc1 ZINC001247620626 1059573251 /nfs/dbraw/zinc/57/32/51/1059573251.db2.gz JLBINPRNSWWFCI-UHFFFAOYSA-N 1 0 315.461 4.402 20 30 DIEDRO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001559741548 1059573625 /nfs/dbraw/zinc/57/36/25/1059573625.db2.gz PJTMHUVYIQMLQF-HRAATJIYSA-N 1 0 322.452 4.283 20 30 DIEDRO CCCC[C@H]([NH2+]C)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247629077 1059576525 /nfs/dbraw/zinc/57/65/25/1059576525.db2.gz YGBQIENUAZJERA-KRWDZBQOSA-N 1 0 320.396 4.212 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC001559759692 1059592813 /nfs/dbraw/zinc/59/28/13/1059592813.db2.gz AJVQGRHHJBPRCD-LJQANCHMSA-N 1 0 323.484 4.332 20 30 DIEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1C#N ZINC001559759512 1059594198 /nfs/dbraw/zinc/59/41/98/1059594198.db2.gz WVQWOUGRHIREGA-SJLPKXTDSA-N 1 0 300.446 4.132 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001559761446 1059598913 /nfs/dbraw/zinc/59/89/13/1059598913.db2.gz BFLAUWFXGCNFFM-QZTJIDSGSA-N 1 0 302.487 4.329 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001559773482 1059609338 /nfs/dbraw/zinc/60/93/38/1059609338.db2.gz PHQCPGYBOMRUBW-KEYYUXOJSA-N 1 0 309.375 4.471 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+](C)CCCOCc1ccccc1 ZINC001559781258 1059614976 /nfs/dbraw/zinc/61/49/76/1059614976.db2.gz AAPGTPFUQFGVCB-UHFFFAOYSA-N 1 0 322.452 4.214 20 30 DIEDRO N#CC1(CC[N@H+]2CC[C@](F)(c3ccccc3)C2)CCCCC1 ZINC001559789776 1059625691 /nfs/dbraw/zinc/62/56/91/1059625691.db2.gz XYCMAYMZEUMFOT-LJQANCHMSA-N 1 0 300.421 4.421 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CCC(=O)Nc2cccc(F)c2)CCCC1(C)C ZINC001559796988 1059633246 /nfs/dbraw/zinc/63/32/46/1059633246.db2.gz CRSYRMDEURMCHL-KRWDZBQOSA-N 1 0 318.436 4.221 20 30 DIEDRO CC(C)(C)c1ccc(-c2noc(C3([NH3+])CCCCC3)n2)c(C#N)c1 ZINC001247839602 1059645837 /nfs/dbraw/zinc/64/58/37/1059645837.db2.gz UXIXQUWIUXVSKV-UHFFFAOYSA-N 1 0 324.428 4.024 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001559830984 1059664667 /nfs/dbraw/zinc/66/46/67/1059664667.db2.gz TXACMOYKUPKITC-MLGOLLRUSA-N 1 0 311.347 4.428 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001559850675 1059676789 /nfs/dbraw/zinc/67/67/89/1059676789.db2.gz LKAVGCMTSRAYTM-KGLIPLIRSA-N 1 0 319.754 4.182 20 30 DIEDRO C[N@H+](Cc1cncc(C#N)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911970 1059727961 /nfs/dbraw/zinc/72/79/61/1059727961.db2.gz QJISKVKAVZEGST-WOJBJXKFSA-N 1 0 305.425 4.111 20 30 DIEDRO C[N@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001559921855 1059735122 /nfs/dbraw/zinc/73/51/22/1059735122.db2.gz UJYMVXIFZUCZTN-RBUKOAKNSA-N 1 0 314.473 4.474 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001559930639 1059743911 /nfs/dbraw/zinc/74/39/11/1059743911.db2.gz BIKUOLYKGKHIRS-CYBMUJFWSA-N 1 0 309.800 4.276 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC001559938825 1059753625 /nfs/dbraw/zinc/75/36/25/1059753625.db2.gz YEXXUGJDGKZAFU-UHFFFAOYSA-N 1 0 300.405 4.070 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001559946908 1059760682 /nfs/dbraw/zinc/76/06/82/1059760682.db2.gz DOUPXVFZOUXFPT-INIZCTEOSA-N 1 0 309.384 4.463 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001559982939 1059788765 /nfs/dbraw/zinc/78/87/65/1059788765.db2.gz ANZRQHLMOPFQPJ-INIZCTEOSA-N 1 0 323.358 4.225 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)COC ZINC001559992437 1059798001 /nfs/dbraw/zinc/79/80/01/1059798001.db2.gz AFTXJAHKURKCQX-LLVKDONJSA-N 1 0 321.770 4.382 20 30 DIEDRO C=CCCCC[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC001559991198 1059798648 /nfs/dbraw/zinc/79/86/48/1059798648.db2.gz LUWTVCRVWSAAMO-SFHVURJKSA-N 1 0 315.457 4.284 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001559994125 1059801612 /nfs/dbraw/zinc/80/16/12/1059801612.db2.gz USUREUCQWVSXJX-BBWFWOEESA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(-c3ncco3)cc2F)CCCC1 ZINC001560001566 1059808727 /nfs/dbraw/zinc/80/87/27/1059808727.db2.gz MFZFUMLDQVSDRH-UHFFFAOYSA-N 1 0 300.377 4.459 20 30 DIEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001560018571 1059828406 /nfs/dbraw/zinc/82/84/06/1059828406.db2.gz YMDFZECTYSTQRV-SWLSCSKDSA-N 1 0 321.262 4.474 20 30 DIEDRO C=CC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001560026796 1059843250 /nfs/dbraw/zinc/84/32/50/1059843250.db2.gz HANZKEABRVGGBA-KRWDZBQOSA-N 1 0 308.425 4.059 20 30 DIEDRO C[C@@H](CCc1ccccc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001560042012 1059854359 /nfs/dbraw/zinc/85/43/59/1059854359.db2.gz CMJHNUNUJJDCNE-KRWDZBQOSA-N 1 0 304.437 4.132 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001560043369 1059857661 /nfs/dbraw/zinc/85/76/61/1059857661.db2.gz XEDSCESWKAZPPR-OAQYLSRUSA-N 1 0 321.464 4.353 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)ccc1N1CCCCC1 ZINC001560060165 1059873381 /nfs/dbraw/zinc/87/33/81/1059873381.db2.gz GYMFAAUDPBODSR-QUCCMNQESA-N 1 0 311.473 4.109 20 30 DIEDRO C=CCC1([NH2+]Cc2ccnc(Br)c2)CCCCC1 ZINC001560070834 1059883080 /nfs/dbraw/zinc/88/30/80/1059883080.db2.gz ONEZFHRFFXDLDA-UHFFFAOYSA-N 1 0 309.251 4.213 20 30 DIEDRO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCc1cccc(C#N)c1 ZINC001560084117 1059894417 /nfs/dbraw/zinc/89/44/17/1059894417.db2.gz IASLHOYVIPPNMN-INIZCTEOSA-N 1 0 304.437 4.282 20 30 DIEDRO CC[C@@H]([NH2+]Cc1c(C)cc(C#N)cc1C)c1ccccc1OC ZINC001560088074 1059899404 /nfs/dbraw/zinc/89/94/04/1059899404.db2.gz WNRVVMSRTNITJN-LJQANCHMSA-N 1 0 308.425 4.425 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc2nc(Br)sc2c1 ZINC001248592731 1059905478 /nfs/dbraw/zinc/90/54/78/1059905478.db2.gz WVIZHMFYIYCLKY-UHFFFAOYSA-N 1 0 323.259 4.233 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1Cc1cc(C#N)ccn1 ZINC001560096689 1059906723 /nfs/dbraw/zinc/90/67/23/1059906723.db2.gz DGVQYSBOFJHXSO-DNVCBOLYSA-N 1 0 305.425 4.110 20 30 DIEDRO C=CCCCCCCNC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001525487012 1059911130 /nfs/dbraw/zinc/91/11/30/1059911130.db2.gz CUGZMZQBPBQDBZ-UHFFFAOYSA-N 1 0 318.461 4.132 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(OC(C)C)cc(OC(C)C)c2)C1 ZINC001248660381 1059928717 /nfs/dbraw/zinc/92/87/17/1059928717.db2.gz RPGLOJIATRNIAI-KRWDZBQOSA-N 1 0 315.457 4.106 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cc(Cl)cc(Cl)c1F ZINC001560129019 1059931616 /nfs/dbraw/zinc/93/16/16/1059931616.db2.gz VUOHHQOXWFOXJR-SECBINFHSA-N 1 0 301.192 4.477 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC001560136353 1059938804 /nfs/dbraw/zinc/93/88/04/1059938804.db2.gz QYNSALBYATWVMB-INIZCTEOSA-N 1 0 323.436 4.070 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001560138739 1059939511 /nfs/dbraw/zinc/93/95/11/1059939511.db2.gz PTCYLVUJVXNWSG-HNNXBMFYSA-N 1 0 312.498 4.192 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC001560150111 1059948545 /nfs/dbraw/zinc/94/85/45/1059948545.db2.gz MATZEBISVWHUQA-LJQANCHMSA-N 1 0 324.509 4.338 20 30 DIEDRO C#CC[N@@H+](CC/C=C\c1ccc(Br)cc1)C(C)C ZINC001560164601 1059955336 /nfs/dbraw/zinc/95/53/36/1059955336.db2.gz FAIFOVFGHPZOKL-ALCCZGGFSA-N 1 0 306.247 4.196 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC001248752520 1059965801 /nfs/dbraw/zinc/96/58/01/1059965801.db2.gz OVRQXCPBOIHQST-HXUWFJFHSA-N 1 0 305.425 4.161 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001248752311 1059966473 /nfs/dbraw/zinc/96/64/73/1059966473.db2.gz HBMYIKOYTOEJMF-HXUWFJFHSA-N 1 0 320.436 4.119 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCCc2ccc(OC)cc2C1 ZINC001248752578 1059967768 /nfs/dbraw/zinc/96/77/68/1059967768.db2.gz QWMNXUDYAYVNGM-UHFFFAOYSA-N 1 0 320.436 4.078 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+](C)[C@H](C)Cc1ccccc1OC ZINC001248752646 1059969533 /nfs/dbraw/zinc/96/95/33/1059969533.db2.gz UXONAASMAWNMLZ-MRXNPFEDSA-N 1 0 322.452 4.192 20 30 DIEDRO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC001560200186 1059980875 /nfs/dbraw/zinc/98/08/75/1059980875.db2.gz PASZMELBWAGWBG-GOSISDBHSA-N 1 0 323.436 4.212 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCCC[C@H]2Cc2ccc(O)cc2)cc1F ZINC001560217601 1059993432 /nfs/dbraw/zinc/99/34/32/1059993432.db2.gz ZJGIUAYTCYDWDX-SFHVURJKSA-N 1 0 324.399 4.000 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001525703310 1059996083 /nfs/dbraw/zinc/99/60/83/1059996083.db2.gz SXKINYVPIZNDPI-FHWLQOOXSA-N 1 0 322.537 4.458 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)C1 ZINC001560249458 1060015174 /nfs/dbraw/zinc/01/51/74/1060015174.db2.gz JXHKDSQFNFMOBR-BRWVUGGUSA-N 1 0 304.503 4.219 20 30 DIEDRO C=CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC001560253708 1060021997 /nfs/dbraw/zinc/02/19/97/1060021997.db2.gz AQBLIQYPVNVILP-UHFFFAOYSA-N 1 0 317.436 4.432 20 30 DIEDRO COc1cc(C[NH2+]C[C@@H](c2ccccc2)C(C)C)ccc1C#N ZINC001560258091 1060027011 /nfs/dbraw/zinc/02/70/11/1060027011.db2.gz SXUBUASWRDIIEH-LJQANCHMSA-N 1 0 308.425 4.096 20 30 DIEDRO COc1cc(C[NH2+]C[C@H](c2ccccc2)C(C)C)ccc1C#N ZINC001560258090 1060028905 /nfs/dbraw/zinc/02/89/05/1060028905.db2.gz SXUBUASWRDIIEH-IBGZPJMESA-N 1 0 308.425 4.096 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccsc2)N(CC)CC)C1 ZINC001560265658 1060036642 /nfs/dbraw/zinc/03/66/42/1060036642.db2.gz ZXIYVSVCJHRQDB-KBAYOESNSA-N 1 0 306.519 4.465 20 30 DIEDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001248883736 1060038013 /nfs/dbraw/zinc/03/80/13/1060038013.db2.gz PDYBVARIGBDGFQ-CYBMUJFWSA-N 1 0 320.864 4.469 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001560337351 1060123171 /nfs/dbraw/zinc/12/31/71/1060123171.db2.gz CLSXRPWMHSXNHE-HXUWFJFHSA-N 1 0 307.437 4.289 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccncc1 ZINC001560338634 1060124743 /nfs/dbraw/zinc/12/47/43/1060124743.db2.gz GMHPGCRWHHUMEC-NRFANRHFSA-N 1 0 321.468 4.479 20 30 DIEDRO CCCC[N@H+](Cc1cnn2ccc(C#N)cc12)Cc1ccccc1 ZINC001249098426 1060153665 /nfs/dbraw/zinc/15/36/65/1060153665.db2.gz AFEMDBDBHOZOJX-UHFFFAOYSA-N 1 0 318.424 4.008 20 30 DIEDRO COc1ccc(C[NH2+]CC2CCC(C(C)C)CC2)cc1C#N ZINC001560382473 1060170000 /nfs/dbraw/zinc/17/00/00/1060170000.db2.gz CMCVITULQSLASL-UHFFFAOYSA-N 1 0 300.446 4.119 20 30 DIEDRO C#CCCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC001560395441 1060180484 /nfs/dbraw/zinc/18/04/84/1060180484.db2.gz ODOMWFPAZXQESX-UHFFFAOYSA-N 1 0 311.400 4.298 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001560418064 1060202733 /nfs/dbraw/zinc/20/27/33/1060202733.db2.gz SLDPQKBYGWUWBX-SWLSCSKDSA-N 1 0 308.809 4.125 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](C(CC)CC)C2)c1 ZINC001560420590 1060205334 /nfs/dbraw/zinc/20/53/34/1060205334.db2.gz JCPCIAOGGMWAHO-AZUAARDMSA-N 1 0 317.473 4.325 20 30 DIEDRO CCc1cc(OC)ccc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC001560452235 1060241187 /nfs/dbraw/zinc/24/11/87/1060241187.db2.gz SAQFUOVMZOLUFL-UHFFFAOYSA-N 1 0 314.816 4.072 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC001560455418 1060244790 /nfs/dbraw/zinc/24/47/90/1060244790.db2.gz LJBMGSPQDLWWCA-CJNGLKHVSA-N 1 0 314.256 4.373 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC001560455419 1060245348 /nfs/dbraw/zinc/24/53/48/1060245348.db2.gz LJBMGSPQDLWWCA-CZUORRHYSA-N 1 0 314.256 4.373 20 30 DIEDRO Cc1cccc(CC[N@@H+](C)Cc2cc3ccc(C#N)cc3[nH]2)c1 ZINC001249429414 1060246069 /nfs/dbraw/zinc/24/60/69/1060246069.db2.gz APWMEGUNGVNZEP-UHFFFAOYSA-N 1 0 303.409 4.023 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429429 1060246901 /nfs/dbraw/zinc/24/69/01/1060246901.db2.gz BGIRYGZEUNICNJ-AWEZNQCLSA-N 1 0 319.408 4.241 20 30 DIEDRO CCc1ccc(C[N@H+](C)Cc2cc3ccc(C#N)cc3[nH]2)cc1 ZINC001249429964 1060248097 /nfs/dbraw/zinc/24/80/97/1060248097.db2.gz XWIMPQDVSVIKCE-UHFFFAOYSA-N 1 0 303.409 4.234 20 30 DIEDRO C=CCCC[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC001560461306 1060251886 /nfs/dbraw/zinc/25/18/86/1060251886.db2.gz IDYZTTMZWFHMTL-UHFFFAOYSA-N 1 0 311.425 4.330 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(OC)cc3c2O[C@H](C)C3)CCCC1 ZINC001560471381 1060262143 /nfs/dbraw/zinc/26/21/43/1060262143.db2.gz NYWIFEHSONZCTE-OAHLLOKOSA-N 1 0 315.457 4.245 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(C)(C)C ZINC001560477481 1060267031 /nfs/dbraw/zinc/26/70/31/1060267031.db2.gz NIBSUKXVLSOOOX-SFHVURJKSA-N 1 0 301.478 4.341 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)cc1 ZINC001560478314 1060269961 /nfs/dbraw/zinc/26/99/61/1060269961.db2.gz SIMANIXAPOGMGL-UHFFFAOYSA-N 1 0 303.377 4.272 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC001560503055 1060299366 /nfs/dbraw/zinc/29/93/66/1060299366.db2.gz YTPSJBCTHOQRGF-OAQYLSRUSA-N 1 0 320.480 4.432 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2ncccc12 ZINC001560509214 1060306387 /nfs/dbraw/zinc/30/63/87/1060306387.db2.gz UTQVBXPBUOPQRP-NRFANRHFSA-N 1 0 313.404 4.274 20 30 DIEDRO CCCCCOc1ccc(C[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC001560532298 1060334676 /nfs/dbraw/zinc/33/46/76/1060334676.db2.gz YTKYFFGCEPQSCN-UHFFFAOYSA-N 1 0 322.452 4.460 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cc(-c3ccccn3)n[nH]2)CCCC1 ZINC001560532079 1060335508 /nfs/dbraw/zinc/33/55/08/1060335508.db2.gz TZLFTPASMFWBOD-UHFFFAOYSA-N 1 0 310.445 4.088 20 30 DIEDRO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)c2ccccc12 ZINC001560535224 1060340688 /nfs/dbraw/zinc/34/06/88/1060340688.db2.gz LKFGHSCPTNFAEM-UHFFFAOYSA-N 1 0 308.425 4.412 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1F ZINC001249685772 1060346253 /nfs/dbraw/zinc/34/62/53/1060346253.db2.gz QUJKMMSJKHKDNI-KRWDZBQOSA-N 1 0 308.400 4.152 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccccc2CC(C)C)ccc1C#N ZINC001560541554 1060348877 /nfs/dbraw/zinc/34/88/77/1060348877.db2.gz ZTMBJNFHFALQQH-UHFFFAOYSA-N 1 0 308.425 4.055 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC001560543417 1060353281 /nfs/dbraw/zinc/35/32/81/1060353281.db2.gz UAXQTTZDXDDEKS-UHFFFAOYSA-N 1 0 303.837 4.218 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001534765242 1060364167 /nfs/dbraw/zinc/36/41/67/1060364167.db2.gz HVFLXZVGILMYLO-OTWHNJEPSA-N 1 0 322.537 4.316 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC001560566251 1060375596 /nfs/dbraw/zinc/37/55/96/1060375596.db2.gz JHHALDLWBCWIOW-NYPGBQQYSA-N 1 0 316.448 4.254 20 30 DIEDRO C#CC1([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCC1 ZINC001560568811 1060377284 /nfs/dbraw/zinc/37/72/84/1060377284.db2.gz AJHYIHBJFNXLJQ-UHFFFAOYSA-N 1 0 322.235 4.305 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1C#N ZINC001560589728 1060403052 /nfs/dbraw/zinc/40/30/52/1060403052.db2.gz ZJEWXUAMXGJCOL-UHFFFAOYSA-N 1 0 302.830 4.223 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CCCc2ccsc2)c1 ZINC001560623426 1060435241 /nfs/dbraw/zinc/43/52/41/1060435241.db2.gz XEWDKGLSJCHHLP-UHFFFAOYSA-N 1 0 314.454 4.153 20 30 DIEDRO CCCn1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)n1 ZINC001560678555 1060515849 /nfs/dbraw/zinc/51/58/49/1060515849.db2.gz ICZNFXKOFXJRQV-UHFFFAOYSA-N 1 0 324.472 4.131 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CCc2ccccc21 ZINC001560701478 1060558232 /nfs/dbraw/zinc/55/82/32/1060558232.db2.gz NLWVJFLWLDFORW-JOCHJYFZSA-N 1 0 318.464 4.184 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001560703424 1060559361 /nfs/dbraw/zinc/55/93/61/1060559361.db2.gz VCAGPBBOZOXSDT-OAHLLOKOSA-N 1 0 310.482 4.158 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(C)nc2c1CCCC2 ZINC001560708829 1060565503 /nfs/dbraw/zinc/56/55/03/1060565503.db2.gz SZGNNIGGZVFDGL-UHFFFAOYSA-N 1 0 310.441 4.093 20 30 DIEDRO CN(c1ccc(Cc2cccc(C#N)c2)cn1)C1CCCCC1 ZINC001250051032 1060568446 /nfs/dbraw/zinc/56/84/46/1060568446.db2.gz UEJUZFOFTSQCHK-UHFFFAOYSA-N 1 0 305.425 4.313 20 30 DIEDRO N#Cc1ccc(Cc2cccc(C[NH+]3CCCCC3)c2F)cc1 ZINC001250055735 1060573467 /nfs/dbraw/zinc/57/34/67/1060573467.db2.gz UWTHERAPDPUWLL-UHFFFAOYSA-N 1 0 308.400 4.274 20 30 DIEDRO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)c(C)c1Br ZINC001560718577 1060578586 /nfs/dbraw/zinc/57/85/86/1060578586.db2.gz XTZZIBIPQKYZAE-UHFFFAOYSA-N 1 0 323.278 4.438 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001560791163 1060652021 /nfs/dbraw/zinc/65/20/21/1060652021.db2.gz CEAIMRBRHCYSQT-SFHVURJKSA-N 1 0 311.425 4.416 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(F)c1 ZINC001560803999 1060663850 /nfs/dbraw/zinc/66/38/50/1060663850.db2.gz NHWCADRANLHTGE-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](OCC)C1)c1ccc(Cl)cc1F ZINC001560825260 1060684898 /nfs/dbraw/zinc/68/48/98/1060684898.db2.gz GVWOLHBVCVTMQW-VBQJREDUSA-N 1 0 309.812 4.091 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001560827334 1060687193 /nfs/dbraw/zinc/68/71/93/1060687193.db2.gz MCFHOBIBZAVNRF-QZTJIDSGSA-N 1 0 323.525 4.005 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)CCc2cncc3ccccc32)cc1 ZINC001560840514 1060695947 /nfs/dbraw/zinc/69/59/47/1060695947.db2.gz SVIIGLGIZGQQJE-KRWDZBQOSA-N 1 0 314.432 4.327 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001560841885 1060697719 /nfs/dbraw/zinc/69/77/19/1060697719.db2.gz FVJQBXPDKUMDMM-ZACQAIPSSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC(C)(C)C[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001560852578 1060709794 /nfs/dbraw/zinc/70/97/94/1060709794.db2.gz JROVQYVRVYYBCZ-UHFFFAOYSA-N 1 0 301.352 4.320 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC001560856258 1060714465 /nfs/dbraw/zinc/71/44/65/1060714465.db2.gz LNSTZJPZGCCIQF-NSHDSACASA-N 1 0 315.244 4.290 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1 ZINC001560865265 1060726227 /nfs/dbraw/zinc/72/62/27/1060726227.db2.gz VGAHDQUNVDZZAW-MAUKXSAKSA-N 1 0 320.823 4.253 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC001560870802 1060732077 /nfs/dbraw/zinc/73/20/77/1060732077.db2.gz QBRKQBKKVOOGIN-SFTDATJTSA-N 1 0 319.448 4.346 20 30 DIEDRO C[C@H]1C[N@H+](CC#Cc2ccccc2)CCc2ccc(Cl)cc21 ZINC001560916641 1060775419 /nfs/dbraw/zinc/77/54/19/1060775419.db2.gz SJKOFVPJSRPBQU-INIZCTEOSA-N 1 0 309.840 4.353 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC001560922915 1060788686 /nfs/dbraw/zinc/78/86/86/1060788686.db2.gz LSIWOIKLWCZVDS-CYBMUJFWSA-N 1 0 302.443 4.093 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(C(=O)OCC)o2)CCCC1 ZINC001560929219 1060792809 /nfs/dbraw/zinc/79/28/09/1060792809.db2.gz QWRFXOAJGJNSHC-UHFFFAOYSA-N 1 0 305.418 4.073 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(F)c(C(=O)OC)c1F ZINC001250427795 1060798699 /nfs/dbraw/zinc/79/86/99/1060798699.db2.gz OSRAJZSIQLTVPY-UHFFFAOYSA-N 1 0 313.388 4.154 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001560957604 1060822728 /nfs/dbraw/zinc/82/27/28/1060822728.db2.gz BHXDRKSVVGOBDR-KRWDZBQOSA-N 1 0 311.473 4.252 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC001560995639 1060857012 /nfs/dbraw/zinc/85/70/12/1060857012.db2.gz SBANHLFCIJLRMO-CYBMUJFWSA-N 1 0 303.372 4.017 20 30 DIEDRO C=C1CCC(C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC001561000707 1060861613 /nfs/dbraw/zinc/86/16/13/1060861613.db2.gz AAUAMFIWBBALEX-HNNXBMFYSA-N 1 0 305.437 4.349 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cc(Cl)cc2c1OCC2 ZINC001561020774 1060877966 /nfs/dbraw/zinc/87/79/66/1060877966.db2.gz QFCRFFAXKQTLML-QCGKTTIDSA-N 1 0 318.848 4.398 20 30 DIEDRO CSCc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC001561025760 1060882544 /nfs/dbraw/zinc/88/25/44/1060882544.db2.gz JIFSYCUXDXSGLT-UHFFFAOYSA-N 1 0 302.468 4.115 20 30 DIEDRO N#CC1(c2ccc(C[N@H+]3CC[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC001561034765 1060886418 /nfs/dbraw/zinc/88/64/18/1060886418.db2.gz BQGWRVMLPUULBE-IBGZPJMESA-N 1 0 306.384 4.328 20 30 DIEDRO N#Cc1ccccc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001250579879 1060914385 /nfs/dbraw/zinc/91/43/85/1060914385.db2.gz BITFDRYDUZUMDB-UHFFFAOYSA-N 1 0 306.409 4.090 20 30 DIEDRO C=C(CC)C[N@H+](CC)CCOc1ccc(Br)cc1 ZINC001473190848 1060941748 /nfs/dbraw/zinc/94/17/48/1060941748.db2.gz HDWSCBQZVYBYIL-UHFFFAOYSA-N 1 0 312.251 4.116 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC)CC1 ZINC001462122945 1060942058 /nfs/dbraw/zinc/94/20/58/1060942058.db2.gz XAVQMQAYXWHNBE-HZPDHXFCSA-N 1 0 312.498 4.192 20 30 DIEDRO CC[N@H+](CCCCC1(C#N)CCC1)C[C@@H](O)c1ccc(C)cc1 ZINC001473194890 1060951239 /nfs/dbraw/zinc/95/12/39/1060951239.db2.gz NABKKLIJPBSJCJ-LJQANCHMSA-N 1 0 314.473 4.215 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCCC3(C2)CCCCCC3)c1 ZINC001473202156 1060961331 /nfs/dbraw/zinc/96/13/31/1060961331.db2.gz XFOFLDJOWNULPF-UHFFFAOYSA-N 1 0 312.457 4.373 20 30 DIEDRO C#CCCCCCC[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC001462148278 1060966316 /nfs/dbraw/zinc/96/63/16/1060966316.db2.gz NSUBMMDZMNTPJD-UHFFFAOYSA-N 1 0 304.522 4.206 20 30 DIEDRO N#Cc1cc(-c2ccc(OCC[NH+]3CCCCC3)cc2)ccc1F ZINC001250636068 1060969162 /nfs/dbraw/zinc/96/91/62/1060969162.db2.gz RPWNJFAXVKYXJE-UHFFFAOYSA-N 1 0 324.399 4.229 20 30 DIEDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(C#N)cc1Br ZINC001473203622 1060968832 /nfs/dbraw/zinc/96/88/32/1060968832.db2.gz HDDAHZHGCBQZOP-LBPRGKRZSA-N 1 0 309.251 4.189 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001462154133 1060974935 /nfs/dbraw/zinc/97/49/35/1060974935.db2.gz RGBAGWKTZFSHDQ-ICSRJNTNSA-N 1 0 324.468 4.314 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC001473221610 1060999895 /nfs/dbraw/zinc/99/98/95/1060999895.db2.gz BBRDODYJQDUWDC-NRFANRHFSA-N 1 0 320.436 4.322 20 30 DIEDRO C#CCCC[NH2+][C@H](CC)CCc1ccc(Br)cc1 ZINC001462185529 1061004821 /nfs/dbraw/zinc/00/48/21/1061004821.db2.gz WVMOIWJIIWGIHC-MRXNPFEDSA-N 1 0 308.263 4.163 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001462198753 1061020114 /nfs/dbraw/zinc/02/01/14/1061020114.db2.gz LHUABUHHQNBSIV-ZDUSSCGKSA-N 1 0 316.367 4.247 20 30 DIEDRO C[C@]1(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 ZINC001462201823 1061023588 /nfs/dbraw/zinc/02/35/88/1061023588.db2.gz PGZDMMJRQWWIBL-NJDAHSKKSA-N 1 0 302.421 4.329 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC001473259694 1061035085 /nfs/dbraw/zinc/03/50/85/1061035085.db2.gz LKGYICDZEGTEHV-JKSUJKDBSA-N 1 0 306.475 4.035 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(OC)CCCCCC2)cc1 ZINC001462220128 1061036324 /nfs/dbraw/zinc/03/63/24/1061036324.db2.gz OCVRVYIHNMQHNB-UHFFFAOYSA-N 1 0 303.446 4.080 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC001462223286 1061037576 /nfs/dbraw/zinc/03/75/76/1061037576.db2.gz YPVNEWZIUZPJKE-BDTNDASRSA-N 1 0 301.433 4.436 20 30 DIEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC001473274313 1061048471 /nfs/dbraw/zinc/04/84/71/1061048471.db2.gz UWBJXGQDADLSOA-ROUUACIJSA-N 1 0 300.446 4.132 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C(C)C)[C@@H]1C(C)C ZINC001462237177 1061048579 /nfs/dbraw/zinc/04/85/79/1061048579.db2.gz ZXWVIRCPVWRSGP-BEFAXECRSA-N 1 0 319.876 4.464 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001462253087 1061055466 /nfs/dbraw/zinc/05/54/66/1061055466.db2.gz JYXUCKOZXBHPPI-OWLYRPNTSA-N 1 0 305.849 4.299 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)CCC1 ZINC001473283016 1061055526 /nfs/dbraw/zinc/05/55/26/1061055526.db2.gz NBRJHOZLLMTCOJ-OAQYLSRUSA-N 1 0 324.468 4.024 20 30 DIEDRO CC1(C)C[C@@H](C[N@H+](Cc2ccc(C#N)cc2)C2CC2)C(C)(C)O1 ZINC001473304303 1061068727 /nfs/dbraw/zinc/06/87/27/1061068727.db2.gz MBUQXFJIPAPKGF-KRWDZBQOSA-N 1 0 312.457 4.116 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCc2ccc(C#N)cc2)c1 ZINC001473306726 1061071948 /nfs/dbraw/zinc/07/19/48/1061071948.db2.gz WVRDUPUGMFDNHV-IIBYNOLFSA-N 1 0 320.436 4.192 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@H]2CCCC23CCOCC3)C2CC2)cc1 ZINC001473305422 1061072508 /nfs/dbraw/zinc/07/25/08/1061072508.db2.gz YBUNLZZNMWRLES-LJQANCHMSA-N 1 0 324.468 4.120 20 30 DIEDRO CC(C)CC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC001473314464 1061079680 /nfs/dbraw/zinc/07/96/80/1061079680.db2.gz WIVRDCDRLMKVCF-KRWDZBQOSA-N 1 0 317.433 4.407 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001462290665 1061080212 /nfs/dbraw/zinc/08/02/12/1061080212.db2.gz CFFCLUPZHUITDA-NHYWBVRUSA-N 1 0 314.256 4.398 20 30 DIEDRO C=CCCCC[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC001473318807 1061083306 /nfs/dbraw/zinc/08/33/06/1061083306.db2.gz YBRCWHLDGWJKFY-UHFFFAOYSA-N 1 0 308.263 4.472 20 30 DIEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001473317975 1061083558 /nfs/dbraw/zinc/08/35/58/1061083558.db2.gz LBQIMWHRFYTBCW-ZFWWWQNUSA-N 1 0 311.347 4.200 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001473319493 1061084569 /nfs/dbraw/zinc/08/45/69/1061084569.db2.gz UXHHMGKKAFXMDU-WOJBJXKFSA-N 1 0 311.425 4.230 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](CC)Cc1ccc(Br)cc1)C(C)(C)C ZINC001462296787 1061085506 /nfs/dbraw/zinc/08/55/06/1061085506.db2.gz MSTHZWVAAPPYFB-JKSUJKDBSA-N 1 0 322.290 4.408 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccc(OC(F)F)cc1)C(C)(C)C ZINC001462295289 1061086527 /nfs/dbraw/zinc/08/65/27/1061086527.db2.gz JMCNGCKHUBSTTB-CZUORRHYSA-N 1 0 309.400 4.247 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC001473336066 1061095566 /nfs/dbraw/zinc/09/55/66/1061095566.db2.gz QXFNBFMZOSUZJT-HXUWFJFHSA-N 1 0 310.416 4.363 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001473336262 1061096737 /nfs/dbraw/zinc/09/67/37/1061096737.db2.gz STRGEDJDYWFZSH-LJQANCHMSA-N 1 0 314.379 4.193 20 30 DIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(C)c(C#N)c2)cc1 ZINC001473341463 1061099493 /nfs/dbraw/zinc/09/94/93/1061099493.db2.gz BBLRRBQIPXTBJH-INIZCTEOSA-N 1 0 322.452 4.186 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001462319404 1061102521 /nfs/dbraw/zinc/10/25/21/1061102521.db2.gz QTZZMYFLRNVXNJ-PXNSSMCTSA-N 1 0 302.506 4.432 20 30 DIEDRO CC1(C)C[N@H+](CCCOc2ccc(C#N)cc2)Cc2ccccc21 ZINC001473344316 1061102944 /nfs/dbraw/zinc/10/29/44/1061102944.db2.gz MHBGLDYBAVKCBT-UHFFFAOYSA-N 1 0 320.436 4.121 20 30 DIEDRO Cc1ccc([C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)cc1 ZINC001473375731 1061118522 /nfs/dbraw/zinc/11/85/22/1061118522.db2.gz NZDRVXFSENSUSZ-LJQANCHMSA-N 1 0 309.840 4.489 20 30 DIEDRO COc1ccccc1C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(C)C ZINC001473371480 1061120087 /nfs/dbraw/zinc/12/00/87/1061120087.db2.gz XFCXITAZRSNXJY-JXFKEZNVSA-N 1 0 322.452 4.485 20 30 DIEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1C ZINC001473382899 1061124631 /nfs/dbraw/zinc/12/46/31/1061124631.db2.gz DGBSHOQXQUVNBT-LPHOPBHVSA-N 1 0 300.446 4.228 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC001462357099 1061125622 /nfs/dbraw/zinc/12/56/22/1061125622.db2.gz REYHNYCNCXWKAV-VBKZILBWSA-N 1 0 308.400 4.468 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@@H]1OC ZINC001462355585 1061126296 /nfs/dbraw/zinc/12/62/96/1061126296.db2.gz LDCVJBROTQYMNK-OTWHNJEPSA-N 1 0 312.457 4.119 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC001462357104 1061126498 /nfs/dbraw/zinc/12/64/98/1061126498.db2.gz REYHNYCNCXWKAV-XOBRGWDASA-N 1 0 308.400 4.468 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001462366077 1061130195 /nfs/dbraw/zinc/13/01/95/1061130195.db2.gz VSAXZMNMUFINBP-CABCVRRESA-N 1 0 306.409 4.075 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccc(F)c(F)c1 ZINC001473400886 1061136204 /nfs/dbraw/zinc/13/62/04/1061136204.db2.gz VIVUDLWPCHCJJT-LJQANCHMSA-N 1 0 316.395 4.308 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@H]3C[C@H]3c3ccccc3)CCC2)cc1 ZINC001462386644 1061141737 /nfs/dbraw/zinc/14/17/37/1061141737.db2.gz UWJYWGICTXLSGV-QUCCMNQESA-N 1 0 302.421 4.331 20 30 DIEDRO C=CCCCCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001473409498 1061144260 /nfs/dbraw/zinc/14/42/60/1061144260.db2.gz QTBHFZGYGHTQJB-IRXDYDNUSA-N 1 0 324.509 4.406 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC001473408893 1061144306 /nfs/dbraw/zinc/14/43/06/1061144306.db2.gz NFTQIJIKTZQVRV-TZIWHRDSSA-N 1 0 312.501 4.070 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC001462396353 1061147656 /nfs/dbraw/zinc/14/76/56/1061147656.db2.gz QFYPTIJHCQYEDA-PXNSSMCTSA-N 1 0 303.490 4.202 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001462413143 1061158051 /nfs/dbraw/zinc/15/80/51/1061158051.db2.gz JKINNXPSAHHVRA-CQSZACIVSA-N 1 0 321.486 4.492 20 30 DIEDRO CC(C)(C)CCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001473444286 1061159965 /nfs/dbraw/zinc/15/99/65/1061159965.db2.gz XSGZZRXCPFOAIU-UHFFFAOYSA-N 1 0 300.446 4.228 20 30 DIEDRO CCCCCCC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC001473444088 1061160292 /nfs/dbraw/zinc/16/02/92/1061160292.db2.gz OSOBELUGHBGFDQ-CQSZACIVSA-N 1 0 319.367 4.179 20 30 DIEDRO C=C(Br)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001473452107 1061167986 /nfs/dbraw/zinc/16/79/86/1061167986.db2.gz KIBHDEYULXGYOJ-XHSDSOJGSA-N 1 0 306.247 4.163 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C1(C)C ZINC001473457772 1061169342 /nfs/dbraw/zinc/16/93/42/1061169342.db2.gz DIITUPXKUUNRMN-DLBZAZTESA-N 1 0 320.864 4.285 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)C12CCCCC2 ZINC001462440443 1061173462 /nfs/dbraw/zinc/17/34/62/1061173462.db2.gz NIPJNPUCHTWZTM-IRXDYDNUSA-N 1 0 304.478 4.178 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC001462440873 1061176294 /nfs/dbraw/zinc/17/62/94/1061176294.db2.gz MHWUYOGWOYNUMW-CQSZACIVSA-N 1 0 315.379 4.209 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC1 ZINC001473482138 1061185635 /nfs/dbraw/zinc/18/56/35/1061185635.db2.gz QPISDFMYRMAEII-UHFFFAOYSA-N 1 0 309.384 4.002 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC001462463569 1061191767 /nfs/dbraw/zinc/19/17/67/1061191767.db2.gz KMTHBMJHQBODLF-QFBILLFUSA-N 1 0 303.446 4.331 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC001462500825 1061214257 /nfs/dbraw/zinc/21/42/57/1061214257.db2.gz BJNVHGYXTITQNU-GGBBIFEXSA-N 1 0 307.384 4.129 20 30 DIEDRO CC(C)(C)C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1(C)C ZINC001473542698 1061239130 /nfs/dbraw/zinc/23/91/30/1061239130.db2.gz XWZMFHOFWXSGHL-KRWDZBQOSA-N 1 0 314.473 4.474 20 30 DIEDRO CC(C)CC[NH+]1CCC(Nc2ccc(C3CC3)c(C#N)c2)CC1 ZINC001462543270 1061248986 /nfs/dbraw/zinc/24/89/86/1061248986.db2.gz UTRGGQCDNPHOKQ-UHFFFAOYSA-N 1 0 311.473 4.358 20 30 DIEDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473579001 1061265290 /nfs/dbraw/zinc/26/52/90/1061265290.db2.gz WCHWYRYNOLUFRK-IRXDYDNUSA-N 1 0 300.421 4.346 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)CCc2c[nH]c3ccccc23)cc1C#N ZINC001462579961 1061275305 /nfs/dbraw/zinc/27/53/05/1061275305.db2.gz QFQDUWFKHXSSPU-MRXNPFEDSA-N 1 0 317.436 4.459 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(C3CCCCC3)CC2)c1F ZINC001473619038 1061293705 /nfs/dbraw/zinc/29/37/05/1061293705.db2.gz XVIRENMJGJENCV-UHFFFAOYSA-N 1 0 300.421 4.490 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC001473628055 1061303979 /nfs/dbraw/zinc/30/39/79/1061303979.db2.gz ZALQPGWDGSGRHK-CABCVRRESA-N 1 0 320.864 4.264 20 30 DIEDRO C=CC[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H](C)COC ZINC001473637597 1061307157 /nfs/dbraw/zinc/30/71/57/1061307157.db2.gz UJYMMGNQCUFLTO-CYBMUJFWSA-N 1 0 320.820 4.018 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462637480 1061309316 /nfs/dbraw/zinc/30/93/16/1061309316.db2.gz WRTNXOIXJGINQK-UHFFFAOYSA-N 1 0 316.323 4.402 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(C#N)cc2Br)CCCC1 ZINC001473647990 1061315052 /nfs/dbraw/zinc/31/50/52/1061315052.db2.gz XHTNXDDZCYFAAA-UHFFFAOYSA-N 1 0 319.246 4.299 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC001473661694 1061326413 /nfs/dbraw/zinc/32/64/13/1061326413.db2.gz AIMQXWUEQARASA-IBGZPJMESA-N 1 0 312.457 4.372 20 30 DIEDRO C=CCC1(O)CN(Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC001462668068 1061328904 /nfs/dbraw/zinc/32/89/04/1061328904.db2.gz YEFRTIATSXCVOK-UHFFFAOYSA-N 1 0 313.828 4.130 20 30 DIEDRO C/C=C/C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473687646 1061344274 /nfs/dbraw/zinc/34/42/74/1061344274.db2.gz HTRMKUKUSMKFQU-BAABZTOOSA-N 1 0 320.383 4.338 20 30 DIEDRO C[C@@H](C[N@H+](C)CCOc1ccccc1C#N)C1CCCCC1 ZINC001473707266 1061362046 /nfs/dbraw/zinc/36/20/46/1061362046.db2.gz SRRYBKZXRYEWSF-INIZCTEOSA-N 1 0 300.446 4.085 20 30 DIEDRO Cc1cncc([C@@H]2CCCN2Cc2ccc(C#N)cc2Cl)c1 ZINC001473734023 1061381566 /nfs/dbraw/zinc/38/15/66/1061381566.db2.gz MBCOSVZZOSEGDO-SFHVURJKSA-N 1 0 311.816 4.252 20 30 DIEDRO CCCCCCC[NH+]1CCN(Cc2ccc(CC)cc2)CC1 ZINC001473754064 1061393563 /nfs/dbraw/zinc/39/35/63/1061393563.db2.gz FJOTTYWRIHOGIH-UHFFFAOYSA-N 1 0 302.506 4.337 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797272 1061410343 /nfs/dbraw/zinc/41/03/43/1061410343.db2.gz MWVPQYPPEAHNPH-LJQANCHMSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797983 1061410542 /nfs/dbraw/zinc/41/05/42/1061410542.db2.gz STXJYUFHFAYLLB-VQIMIIECSA-N 1 0 322.493 4.064 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(F)c(Br)c2)CCCCC1 ZINC001473824295 1061425772 /nfs/dbraw/zinc/42/57/72/1061425772.db2.gz FKRLIARKXPOSNJ-UHFFFAOYSA-N 1 0 324.237 4.404 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC001473841491 1061432063 /nfs/dbraw/zinc/43/20/63/1061432063.db2.gz JOCPGUDBDDUHJF-UHFFFAOYSA-N 1 0 307.478 4.465 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC001473853869 1061434265 /nfs/dbraw/zinc/43/42/65/1061434265.db2.gz CGLAHJFJOZKNOT-LJQANCHMSA-N 1 0 314.473 4.003 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001473855561 1061434363 /nfs/dbraw/zinc/43/43/63/1061434363.db2.gz WAJFTJODWKXUPC-HNNXBMFYSA-N 1 0 317.820 4.321 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001473857050 1061434801 /nfs/dbraw/zinc/43/48/01/1061434801.db2.gz BBIAOIYHDVXEGW-QLFBSQMISA-N 1 0 317.395 4.355 20 30 DIEDRO C=C(C)CC[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001473857500 1061437390 /nfs/dbraw/zinc/43/73/90/1061437390.db2.gz UNCWVJADDSNNHO-UHFFFAOYSA-N 1 0 316.445 4.358 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccccc1OCC(F)(F)F ZINC001473861646 1061437813 /nfs/dbraw/zinc/43/78/13/1061437813.db2.gz FUQVPCNBJNCYIC-UHFFFAOYSA-N 1 0 301.352 4.416 20 30 DIEDRO Cc1cccc(C[NH2+]CCSCc2ccccc2C#N)c1F ZINC001473915702 1061464189 /nfs/dbraw/zinc/46/41/89/1061464189.db2.gz HPTLUSXOLKUSML-UHFFFAOYSA-N 1 0 314.429 4.029 20 30 DIEDRO Cc1cc(C[NH2+]CCOc2ccc3ccccc3c2)ccc1C#N ZINC001473946807 1061489979 /nfs/dbraw/zinc/48/99/79/1061489979.db2.gz GMKOGISLXDKGFY-UHFFFAOYSA-N 1 0 316.404 4.189 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001457738108 1061493489 /nfs/dbraw/zinc/49/34/89/1061493489.db2.gz NWJXCCQJBRACMU-RBUKOAKNSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC001473970802 1061515471 /nfs/dbraw/zinc/51/54/71/1061515471.db2.gz IKVCAWJJRIROJM-JSGCOSHPSA-N 1 0 324.262 4.292 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC001463906544 1061531339 /nfs/dbraw/zinc/53/13/39/1061531339.db2.gz RAPOUKGFETUUJI-UHFFFAOYSA-N 1 0 320.392 4.156 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)C1 ZINC001474007304 1061548583 /nfs/dbraw/zinc/54/85/83/1061548583.db2.gz XOAMEUMLTQHOPN-LZQZEXGQSA-N 1 0 301.474 4.352 20 30 DIEDRO Cc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001474025145 1061565337 /nfs/dbraw/zinc/56/53/37/1061565337.db2.gz QDIWTPKSSIVCJX-KRWDZBQOSA-N 1 0 322.452 4.353 20 30 DIEDRO C=C1CC(C)(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC001464239767 1061568128 /nfs/dbraw/zinc/56/81/28/1061568128.db2.gz RFHBBBFBBQRKOM-MRXNPFEDSA-N 1 0 312.457 4.356 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C12CCCC2 ZINC001474032096 1061572900 /nfs/dbraw/zinc/57/29/00/1061572900.db2.gz GQDIOYSHZWMWDY-MOPGFXCFSA-N 1 0 324.468 4.069 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C12CCCC2 ZINC001474032100 1061574874 /nfs/dbraw/zinc/57/48/74/1061574874.db2.gz GQDIOYSHZWMWDY-RBUKOAKNSA-N 1 0 324.468 4.069 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001252122486 1061580517 /nfs/dbraw/zinc/58/05/17/1061580517.db2.gz WJQPGIKQJQVHNJ-FUHWJXTLSA-N 1 0 308.466 4.231 20 30 DIEDRO CCCCCCCC[C@H](O)CNc1ccccc1C[NH+](C)C ZINC001252131388 1061589379 /nfs/dbraw/zinc/58/93/79/1061589379.db2.gz MTMYRLIOUOTPCE-SFHVURJKSA-N 1 0 306.494 4.272 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1nc2ccccc2s1 ZINC001252131250 1061589543 /nfs/dbraw/zinc/58/95/43/1061589543.db2.gz KLZHVZCHLSXHRA-OAHLLOKOSA-N 1 0 320.502 4.497 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001252132874 1061590933 /nfs/dbraw/zinc/59/09/33/1061590933.db2.gz DJASEYLCEBOHDP-APWZRJJASA-N 1 0 307.478 4.197 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001252132877 1061592585 /nfs/dbraw/zinc/59/25/85/1061592585.db2.gz DJASEYLCEBOHDP-VQIMIIECSA-N 1 0 307.478 4.197 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CCCc1ccc(C)nc1 ZINC001252134209 1061592632 /nfs/dbraw/zinc/59/26/32/1061592632.db2.gz OPDUYWBLKPOREH-LJQANCHMSA-N 1 0 306.494 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc2ncccc2c1 ZINC001252137408 1061594233 /nfs/dbraw/zinc/59/42/33/1061594233.db2.gz XYYLDYMCTLBEMN-LJQANCHMSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCCc2cccnc21 ZINC001252134688 1061594789 /nfs/dbraw/zinc/59/47/89/1061594789.db2.gz SMUNGAZBWFKEMI-ZWKOTPCHSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001252138700 1061596563 /nfs/dbraw/zinc/59/65/63/1061596563.db2.gz CRQMDLIKAFCCAU-PKOBYXMFSA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C1(Cc2ccc(O)cc2)CC1 ZINC001252140062 1061596702 /nfs/dbraw/zinc/59/67/02/1061596702.db2.gz XVVXTVPSQYRRQR-LJQANCHMSA-N 1 0 319.489 4.168 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001252139321 1061596899 /nfs/dbraw/zinc/59/68/99/1061596899.db2.gz JPOQEPHLFGDEMH-LPHOPBHVSA-N 1 0 307.478 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C(C)(C)Cc1cccnc1 ZINC001252139955 1061597127 /nfs/dbraw/zinc/59/71/27/1061597127.db2.gz VWKSMZSGYOGPRT-GOSISDBHSA-N 1 0 306.494 4.104 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCCc2cnccc21 ZINC001252140058 1061597207 /nfs/dbraw/zinc/59/72/07/1061597207.db2.gz XRVACXCRTMVPOX-PKOBYXMFSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1(Cc2cccnc2)CC1 ZINC001252139206 1061597262 /nfs/dbraw/zinc/59/72/62/1061597262.db2.gz KWTNRVOSNJMJAZ-LJQANCHMSA-N 1 0 318.505 4.105 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccc(F)cn1)C1CC1 ZINC001252139722 1061597790 /nfs/dbraw/zinc/59/77/90/1061597790.db2.gz QZNRQOSAIKFXFX-IEBWSBKVSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1ncccc1F)C1CC1 ZINC001252139423 1061598378 /nfs/dbraw/zinc/59/83/78/1061598378.db2.gz NXOFEKQUPWWKQE-FUHWJXTLSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001252140783 1061599290 /nfs/dbraw/zinc/59/92/90/1061599290.db2.gz UFAXMBIZXNWCAR-RTBURBONSA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2O ZINC001252140481 1061600731 /nfs/dbraw/zinc/60/07/31/1061600731.db2.gz APUZPHCKNSFBNK-QAPCUYQASA-N 1 0 305.462 4.081 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCCc2ccncc21 ZINC001252140761 1061600771 /nfs/dbraw/zinc/60/07/71/1061600771.db2.gz FPGZVJAMAVQFTC-HKUYNNGSSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC001252140781 1061600806 /nfs/dbraw/zinc/60/08/06/1061600806.db2.gz UFAXMBIZXNWCAR-OALUTQOASA-N 1 0 304.478 4.234 20 30 DIEDRO C=CCOc1cccc(CNc2cc(C[NH+](C)C)ccc2C)c1 ZINC001474055735 1061603481 /nfs/dbraw/zinc/60/34/81/1061603481.db2.gz MXGWZOZXSCCEOG-UHFFFAOYSA-N 1 0 310.441 4.234 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)C1 ZINC001474064070 1061610960 /nfs/dbraw/zinc/61/09/60/1061610960.db2.gz QAGKVFDOMXRXEY-AAEUAGOBSA-N 1 0 315.244 4.102 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001464771192 1061629835 /nfs/dbraw/zinc/62/98/35/1061629835.db2.gz AYTNOIWJGANUQV-KRWDZBQOSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC001474085804 1061631682 /nfs/dbraw/zinc/63/16/82/1061631682.db2.gz FVZYCPHXTSYWPF-CQSZACIVSA-N 1 0 301.409 4.154 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001464846460 1061639330 /nfs/dbraw/zinc/63/93/30/1061639330.db2.gz IEPUXBRUTDCHBD-YAINUAMHSA-N 1 0 320.521 4.236 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001464846456 1061640498 /nfs/dbraw/zinc/64/04/98/1061640498.db2.gz IEPUXBRUTDCHBD-JZHDPFOFSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001474093745 1061640495 /nfs/dbraw/zinc/64/04/95/1061640495.db2.gz NJFVBXXDBQZQJP-INIZCTEOSA-N 1 0 315.844 4.281 20 30 DIEDRO C=C[C@](C)(O)C[N@H+]1CC=C(c2cc(Cl)cc(Cl)c2)CC1 ZINC001252541871 1061660460 /nfs/dbraw/zinc/66/04/60/1061660460.db2.gz VFFZTVPRZZUEAI-INIZCTEOSA-N 1 0 312.240 4.020 20 30 DIEDRO C=C[C@](C)(O)C[N@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC001252556407 1061664188 /nfs/dbraw/zinc/66/41/88/1061664188.db2.gz DGCMRZYRJQGKCB-NRFANRHFSA-N 1 0 320.436 4.107 20 30 DIEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001252560061 1061664746 /nfs/dbraw/zinc/66/47/46/1061664746.db2.gz MRKILQRVZNTTEL-OAQYLSRUSA-N 1 0 305.421 4.362 20 30 DIEDRO N#Cc1cc(C[NH2+]CCCCCc2ccc(F)cc2)cs1 ZINC001474119743 1061668858 /nfs/dbraw/zinc/66/88/58/1061668858.db2.gz NREOYQJUYXGNJI-UHFFFAOYSA-N 1 0 302.418 4.261 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001252601748 1061672256 /nfs/dbraw/zinc/67/22/56/1061672256.db2.gz DSPRRNKSWDOVOJ-NRFANRHFSA-N 1 0 323.480 4.468 20 30 DIEDRO C=CCC[C@@H](O)C[NH+]1CCC(c2ccc3ccccc3c2)CC1 ZINC001252599639 1061672546 /nfs/dbraw/zinc/67/25/46/1061672546.db2.gz DFNVVAMYVZSTIP-OAQYLSRUSA-N 1 0 309.453 4.346 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001252601749 1061673800 /nfs/dbraw/zinc/67/38/00/1061673800.db2.gz DSPRRNKSWDOVOJ-OAQYLSRUSA-N 1 0 323.480 4.468 20 30 DIEDRO CC1(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC001474135659 1061680976 /nfs/dbraw/zinc/68/09/76/1061680976.db2.gz DPCDQIJOGDEFLT-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001474134373 1061682430 /nfs/dbraw/zinc/68/24/30/1061682430.db2.gz QSZGMPIZJJXLJE-VVLHAWIVSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C1(c2ccccc2)CCC(F)(F)CC1 ZINC001252622670 1061682660 /nfs/dbraw/zinc/68/26/60/1061682660.db2.gz YONGFMDUULALOH-MRXNPFEDSA-N 1 0 309.400 4.008 20 30 DIEDRO C=CCC1(C[NH2+][C@H](C)CC(=O)Nc2ccccc2)CCCC1 ZINC001474145453 1061690746 /nfs/dbraw/zinc/69/07/46/1061690746.db2.gz QDIFZPOQBRBWLD-MRXNPFEDSA-N 1 0 300.446 4.130 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC001474154433 1061695607 /nfs/dbraw/zinc/69/56/07/1061695607.db2.gz BGLQMYJUMXKQIW-UHFFFAOYSA-N 1 0 311.198 4.125 20 30 DIEDRO Cc1oc(-c2cccs2)nc1C[NH2+]CC(C)(C)CCC#N ZINC001474168270 1061714250 /nfs/dbraw/zinc/71/42/50/1061714250.db2.gz XYKCFIODHFAALR-UHFFFAOYSA-N 1 0 303.431 4.131 20 30 DIEDRO CCC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001252790408 1061719397 /nfs/dbraw/zinc/71/93/97/1061719397.db2.gz ZZZZMUGCVIKXRU-UTKZUKDTSA-N 1 0 322.452 4.282 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc(C)ccc2Br)cc1 ZINC001474182743 1061729465 /nfs/dbraw/zinc/72/94/65/1061729465.db2.gz WSRGPNQVTPQJFF-UHFFFAOYSA-N 1 0 314.226 4.029 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C/C=C/c1ccc(F)cc1 ZINC001474185686 1061735428 /nfs/dbraw/zinc/73/54/28/1061735428.db2.gz WZYUHKCPKRYKSH-ZOXCZHJPSA-N 1 0 306.384 4.378 20 30 DIEDRO N#Cc1cc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cs1 ZINC001474200281 1061750356 /nfs/dbraw/zinc/75/03/56/1061750356.db2.gz BUMSIMDORHSGSS-UHFFFAOYSA-N 1 0 321.405 4.097 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001252979927 1061768997 /nfs/dbraw/zinc/76/89/97/1061768997.db2.gz PIXATLWRWBKQDA-FHWLQOOXSA-N 1 0 313.526 4.113 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]CCc1ccccn1 ZINC001252980249 1061769199 /nfs/dbraw/zinc/76/91/99/1061769199.db2.gz KTRFNDGUTDIVGD-IBGZPJMESA-N 1 0 306.494 4.105 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cncc(C)c1 ZINC001252978372 1061770164 /nfs/dbraw/zinc/77/01/64/1061770164.db2.gz AQIXWZYYINEQSH-IBGZPJMESA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ncccc1C ZINC001252981035 1061772080 /nfs/dbraw/zinc/77/20/80/1061772080.db2.gz XYIJRPUEQLSIBK-SFHVURJKSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)CN1CCC([NH+]2CCC2)CC1 ZINC001252982345 1061772207 /nfs/dbraw/zinc/77/22/07/1061772207.db2.gz CACDZZTUFITLTQ-HXUWFJFHSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@H+](C)CC1CCOCC1 ZINC001252980688 1061773093 /nfs/dbraw/zinc/77/30/93/1061773093.db2.gz YAEYSZVFQIKYIA-IBGZPJMESA-N 1 0 313.526 4.237 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1c(C)nn(C)c1C ZINC001252982628 1061773666 /nfs/dbraw/zinc/77/36/66/1061773666.db2.gz JEZJSUCKWDCRNE-GOSISDBHSA-N 1 0 323.525 4.018 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cnccc1C ZINC001252982551 1061774031 /nfs/dbraw/zinc/77/40/31/1061774031.db2.gz HFFMRCFBVFBDHS-LJQANCHMSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(CO)cc1 ZINC001252984824 1061774856 /nfs/dbraw/zinc/77/48/56/1061774856.db2.gz ARNDCYHEIDDIRQ-FQEVSTJZSA-N 1 0 321.505 4.160 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC(OCC)CC1 ZINC001252984290 1061775035 /nfs/dbraw/zinc/77/50/35/1061775035.db2.gz GEUXMXUXWJGTAO-SFHVURJKSA-N 1 0 313.526 4.379 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCc2ncsc2C1 ZINC001252985669 1061776227 /nfs/dbraw/zinc/77/62/27/1061776227.db2.gz OUPKCXOJVIXIGM-MRXNPFEDSA-N 1 0 324.534 4.393 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001252986946 1061776338 /nfs/dbraw/zinc/77/63/38/1061776338.db2.gz YNOQXEOVIQRMGK-RTBURBONSA-N 1 0 311.510 4.133 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001252986526 1061776389 /nfs/dbraw/zinc/77/63/89/1061776389.db2.gz MAXWKFUVWWDKFK-KRWDZBQOSA-N 1 0 323.477 4.079 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@](C)(O)CC1 ZINC001252983793 1061776416 /nfs/dbraw/zinc/77/64/16/1061776416.db2.gz ZVKMOECBCWFRCV-GUDVDZBRSA-N 1 0 313.526 4.161 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001252984793 1061777917 /nfs/dbraw/zinc/77/79/17/1061777917.db2.gz AAIGGWIGRBRCMF-QGZVFWFLSA-N 1 0 323.477 4.079 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CCCC(C)(C)O ZINC001252987857 1061779161 /nfs/dbraw/zinc/77/91/61/1061779161.db2.gz XUZORWYFLRYPLX-QGZVFWFLSA-N 1 0 301.515 4.019 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(F)nc1 ZINC001252988261 1061780348 /nfs/dbraw/zinc/78/03/48/1061780348.db2.gz DDBGLCJIVDQCAH-KRWDZBQOSA-N 1 0 310.457 4.202 20 30 DIEDRO N#Cc1cc(C[NH2+]CCc2c[nH]c3c2cccc3Cl)cs1 ZINC001474225994 1061786576 /nfs/dbraw/zinc/78/65/76/1061786576.db2.gz DQBOVRIJTIFEPB-UHFFFAOYSA-N 1 0 315.829 4.087 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC001474229910 1061791602 /nfs/dbraw/zinc/79/16/02/1061791602.db2.gz GDTIILVYEJPEGA-BMFZPTHFSA-N 1 0 322.855 4.392 20 30 DIEDRO COc1ccc(C[NH2+][C@H](c2cccc(C)c2)C(C)C)cc1C#N ZINC001474230559 1061791942 /nfs/dbraw/zinc/79/19/42/1061791942.db2.gz DIBWZKVYMJPFBF-FQEVSTJZSA-N 1 0 308.425 4.362 20 30 DIEDRO CCCC1CCC(C[NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC001474247737 1061815475 /nfs/dbraw/zinc/81/54/75/1061815475.db2.gz JYFVUJUTWVQCSD-UHFFFAOYSA-N 1 0 300.446 4.263 20 30 DIEDRO COc1ccc(C[NH2+]C/C=C/c2cc(C)c(C)cc2C)cc1C#N ZINC001474248638 1061815569 /nfs/dbraw/zinc/81/55/69/1061815569.db2.gz UAUKJHKSBBJHTG-AATRIKPKSA-N 1 0 320.436 4.295 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1C#N ZINC001474266776 1061833811 /nfs/dbraw/zinc/83/38/11/1061833811.db2.gz YMGXPFPFACNSHP-UHFFFAOYSA-N 1 0 319.433 4.118 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001253239881 1061836944 /nfs/dbraw/zinc/83/69/44/1061836944.db2.gz VBCJDORXQIAEEP-PMACEKPBSA-N 1 0 316.489 4.496 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001253239134 1061837598 /nfs/dbraw/zinc/83/75/98/1061837598.db2.gz KOKSGUCCKKOPCN-OALUTQOASA-N 1 0 316.489 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001253233876 1061838060 /nfs/dbraw/zinc/83/80/60/1061838060.db2.gz PJHDXYZKWZDAEL-JKSUJKDBSA-N 1 0 303.437 4.241 20 30 DIEDRO C=CCCCCCC[C@H](O)CN1CC[NH+](CCCCCC)CC1 ZINC001253240125 1061838166 /nfs/dbraw/zinc/83/81/66/1061838166.db2.gz ZQLWZJKTWRVWBG-FQEVSTJZSA-N 1 0 324.553 4.072 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC001253234892 1061838887 /nfs/dbraw/zinc/83/88/87/1061838887.db2.gz GQFBQOAWRXGQKN-SFHVURJKSA-N 1 0 305.462 4.015 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001253243295 1061842203 /nfs/dbraw/zinc/84/22/03/1061842203.db2.gz UDRXQGLSINYGSX-ROUUACIJSA-N 1 0 321.505 4.098 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001474274604 1061842359 /nfs/dbraw/zinc/84/23/59/1061842359.db2.gz FMUZQMCOZBLKEK-UHFFFAOYSA-N 1 0 314.816 4.028 20 30 DIEDRO C=CCCCCCC[C@@H](O)CNc1ccc(C[NH+](C)C)cc1 ZINC001253244555 1061844168 /nfs/dbraw/zinc/84/41/68/1061844168.db2.gz MHNSBHBPBYKSPH-LJQANCHMSA-N 1 0 304.478 4.048 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001253246368 1061847189 /nfs/dbraw/zinc/84/71/89/1061847189.db2.gz OAOPSBTXFDIJFS-VQIMIIECSA-N 1 0 300.446 4.096 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001474278636 1061847151 /nfs/dbraw/zinc/84/71/51/1061847151.db2.gz ZEHPKXWYSAATRR-MWDXBVQZSA-N 1 0 322.493 4.014 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001253246367 1061847209 /nfs/dbraw/zinc/84/72/09/1061847209.db2.gz OAOPSBTXFDIJFS-APWZRJJASA-N 1 0 300.446 4.096 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001253247376 1061851336 /nfs/dbraw/zinc/85/13/36/1061851336.db2.gz IQGABHKDNGOVHT-FUHWJXTLSA-N 1 0 305.462 4.233 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC001253247377 1061852158 /nfs/dbraw/zinc/85/21/58/1061852158.db2.gz IQGABHKDNGOVHT-SJLPKXTDSA-N 1 0 305.462 4.233 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1ncccc1C)C1CC1 ZINC001253250276 1061853345 /nfs/dbraw/zinc/85/33/45/1061853345.db2.gz WIGRISLQIDDMQU-QUCCMNQESA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001253251519 1061854057 /nfs/dbraw/zinc/85/40/57/1061854057.db2.gz LXKOGYXQFRKZPH-IPMKNSEASA-N 1 0 305.437 4.159 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001253252389 1061854635 /nfs/dbraw/zinc/85/46/35/1061854635.db2.gz VOGIBGDBHHPLRH-IBGZPJMESA-N 1 0 312.457 4.024 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001253252390 1061854829 /nfs/dbraw/zinc/85/48/29/1061854829.db2.gz VOGIBGDBHHPLRH-LJQANCHMSA-N 1 0 312.457 4.024 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1cccnc1C)C1CC1 ZINC001253254906 1061855953 /nfs/dbraw/zinc/85/59/53/1061855953.db2.gz VLWOFJIPHHHQMU-UYAOXDASSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1sccc1Cl ZINC001253254566 1061856287 /nfs/dbraw/zinc/85/62/87/1061856287.db2.gz CPEKNALTMZJVCM-CYBMUJFWSA-N 1 0 301.883 4.379 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(CC2CCC2)CCOCC1 ZINC001253254916 1061856377 /nfs/dbraw/zinc/85/63/77/1061856377.db2.gz VQHXNEMYCNDVGD-IBGZPJMESA-N 1 0 323.521 4.203 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(c2ccccc2OC)CC1 ZINC001253254325 1061856708 /nfs/dbraw/zinc/85/67/08/1061856708.db2.gz BEZPCPWELSLWCW-QGZVFWFLSA-N 1 0 317.473 4.161 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1sccc1Cl ZINC001253254567 1061857020 /nfs/dbraw/zinc/85/70/20/1061857020.db2.gz CPEKNALTMZJVCM-ZDUSSCGKSA-N 1 0 301.883 4.379 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cccc2cnccc21 ZINC001253253571 1061857412 /nfs/dbraw/zinc/85/74/12/1061857412.db2.gz IPGGGDMXSPLZBN-IBGZPJMESA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC001253254529 1061857475 /nfs/dbraw/zinc/85/74/75/1061857475.db2.gz BYQLEZSZZFTGNS-GOSISDBHSA-N 1 0 305.437 4.292 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cccc2cnccc21 ZINC001253253572 1061858053 /nfs/dbraw/zinc/85/80/53/1061858053.db2.gz IPGGGDMXSPLZBN-LJQANCHMSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccc(C)cn1)C1CC1 ZINC001253255694 1061858227 /nfs/dbraw/zinc/85/82/27/1061858227.db2.gz ZUMBUZUHRMGKJZ-UYAOXDASSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1cccnc1F)C1CC1 ZINC001253255393 1061858332 /nfs/dbraw/zinc/85/83/32/1061858332.db2.gz YGQLBEPISADLPM-AEFFLSMTSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1ncccc1F)C1CC1 ZINC001253254358 1061858415 /nfs/dbraw/zinc/85/84/15/1061858415.db2.gz PZRMXFSXHJZEDT-FUHWJXTLSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccncc1)C(C)C ZINC001253257238 1061859332 /nfs/dbraw/zinc/85/93/32/1061859332.db2.gz PONJOAVPPGRLGV-RTBURBONSA-N 1 0 304.478 4.256 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001253256821 1061859372 /nfs/dbraw/zinc/85/93/72/1061859372.db2.gz GDGVAMOBEDQZOA-MRXNPFEDSA-N 1 0 324.896 4.447 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)c1cncc(Cl)c1 ZINC001253257108 1061860055 /nfs/dbraw/zinc/86/00/55/1061860055.db2.gz MOJOKQMXTMAUST-PBHICJAKSA-N 1 0 310.869 4.273 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCC1CCC(OC)CC1 ZINC001253255939 1061861467 /nfs/dbraw/zinc/86/14/67/1061861467.db2.gz PDYFAIFLGHURGH-JLAWEPINSA-N 1 0 311.510 4.059 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@H](C)c1cccc(OC)c1 ZINC001253257022 1061861488 /nfs/dbraw/zinc/86/14/88/1061861488.db2.gz JYLQQDDXVFKLBT-PKOBYXMFSA-N 1 0 319.489 4.276 20 30 DIEDRO C=CC(C)(C)[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC001474292705 1061861669 /nfs/dbraw/zinc/86/16/69/1061861669.db2.gz PKVRPKBWWXOUNG-UHFFFAOYSA-N 1 0 310.441 4.332 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2SC(F)(F)F)cc1 ZINC001474292968 1061862696 /nfs/dbraw/zinc/86/26/96/1061862696.db2.gz JXBOOAHFGPFAGZ-UHFFFAOYSA-N 1 0 322.355 4.460 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001253563425 1061927887 /nfs/dbraw/zinc/92/78/87/1061927887.db2.gz FRSHNKXCDGWMAV-UFYCRDLUSA-N 1 0 324.553 4.047 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]CCc1c[nH]cn1 ZINC001253565495 1061929979 /nfs/dbraw/zinc/92/99/79/1061929979.db2.gz OMZXAIBQHHHZRW-IBGZPJMESA-N 1 0 323.525 4.214 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[C@H](O)C1 ZINC001253566322 1061930107 /nfs/dbraw/zinc/93/01/07/1061930107.db2.gz ZVVBYMIVIFGLQY-GUDVDZBRSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]CC1CC(O)C1 ZINC001253566325 1061930626 /nfs/dbraw/zinc/93/06/26/1061930626.db2.gz ZVVBYMIVIFGLQY-XBMUEBEBSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1ccnnc1 ZINC001253565580 1061931975 /nfs/dbraw/zinc/93/19/75/1061931975.db2.gz QAXLNOXLDDNQFM-IBGZPJMESA-N 1 0 321.509 4.238 20 30 DIEDRO C=C[C@H](O)C[N@@H+]1CCCC[C@H]1C(c1ccccc1)c1ccccc1 ZINC001253578394 1061932087 /nfs/dbraw/zinc/93/20/87/1061932087.db2.gz AJGKHRCOTOZIIK-SFTDATJTSA-N 1 0 321.464 4.220 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001253566121 1061932943 /nfs/dbraw/zinc/93/29/43/1061932943.db2.gz XLCMERNNLWGNGA-MOPGFXCFSA-N 1 0 313.526 4.284 20 30 DIEDRO CCC(CC)C[N@@H+](CCC#N)CCCc1ccc2c(c1)CCO2 ZINC001474339052 1061936444 /nfs/dbraw/zinc/93/64/44/1061936444.db2.gz BEMACMTUYVYKDY-UHFFFAOYSA-N 1 0 314.473 4.206 20 30 DIEDRO CC(C)[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001253768033 1061978885 /nfs/dbraw/zinc/97/88/85/1061978885.db2.gz QMJRALXMJVOKQU-UWJYYQICSA-N 1 0 322.452 4.138 20 30 DIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1ccc(C#N)c(C)c1 ZINC001474358267 1061979541 /nfs/dbraw/zinc/97/95/41/1061979541.db2.gz OKKFRNPTGDTKFV-UHFFFAOYSA-N 1 0 310.416 4.461 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)c1cccc(OC)c1 ZINC001474376569 1062017911 /nfs/dbraw/zinc/01/79/11/1062017911.db2.gz OCUQYHDVTNIPNC-MRXNPFEDSA-N 1 0 308.425 4.458 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(OCC#N)c2)c2ccccc21 ZINC001254110668 1062024720 /nfs/dbraw/zinc/02/47/20/1062024720.db2.gz PIAGXFPFFBHMNO-LJQANCHMSA-N 1 0 306.409 4.101 20 30 DIEDRO N#CC1CCC([NH2+]CCn2c3ccccc3c3ccccc32)CC1 ZINC001474387456 1062039092 /nfs/dbraw/zinc/03/90/92/1062039092.db2.gz QSYKYHVGNVELDD-UHFFFAOYSA-N 1 0 317.436 4.466 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCCCC1 ZINC001459306066 1062076502 /nfs/dbraw/zinc/07/65/02/1062076502.db2.gz GBAFBNKJNMRMRI-UHFFFAOYSA-N 1 0 308.372 4.314 20 30 DIEDRO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cccc2ccccc21 ZINC001459312707 1062079326 /nfs/dbraw/zinc/07/93/26/1062079326.db2.gz FHTJVABUFMKEHJ-UHFFFAOYSA-N 1 0 303.380 4.462 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC2(CCC2)O1 ZINC001459311516 1062079975 /nfs/dbraw/zinc/07/99/75/1062079975.db2.gz JLLFJOUUAIBNMR-IBGZPJMESA-N 1 0 312.457 4.262 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CC[C@@H](F)CC2)CC1 ZINC001254342881 1062080630 /nfs/dbraw/zinc/08/06/30/1062080630.db2.gz UPQLOCUMBJBKGD-LPOKXYRGSA-N 1 0 318.411 4.400 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCCC2(F)F)CC1 ZINC001254348127 1062081741 /nfs/dbraw/zinc/08/17/41/1062081741.db2.gz CAMGMCUCNWZODL-AQFXKWCLSA-N 1 0 322.374 4.307 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC001254346077 1062082154 /nfs/dbraw/zinc/08/21/54/1062082154.db2.gz IYHUBGMEPASCLA-UHFFFAOYSA-N 1 0 322.374 4.165 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CC23CCCC3)CC1 ZINC001254349563 1062082793 /nfs/dbraw/zinc/08/27/93/1062082793.db2.gz RPVUAMJSVHSKRY-FDYSRKEFSA-N 1 0 312.432 4.452 20 30 DIEDRO CC1(C)CC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254355328 1062083726 /nfs/dbraw/zinc/08/37/26/1062083726.db2.gz CWQCZPYUSWKRQE-UHFFFAOYSA-N 1 0 300.421 4.262 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC001254351826 1062084619 /nfs/dbraw/zinc/08/46/19/1062084619.db2.gz VSTPDLFIWRHYSN-JPODWNTLSA-N 1 0 312.432 4.308 20 30 DIEDRO CC1CC([N@H+](C)C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353158 1062085320 /nfs/dbraw/zinc/08/53/20/1062085320.db2.gz SHFODJLKOFVOMM-UHFFFAOYSA-N 1 0 300.421 4.260 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC001254351300 1062085756 /nfs/dbraw/zinc/08/57/56/1062085756.db2.gz VONFCTYTMAESIB-UHFFFAOYSA-N 1 0 312.432 4.452 20 30 DIEDRO C[N@H+](Cc1ccccn1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254353150 1062085927 /nfs/dbraw/zinc/08/59/27/1062085927.db2.gz RWOSRWIWMVCQEB-UHFFFAOYSA-N 1 0 323.415 4.057 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC001254385304 1062092397 /nfs/dbraw/zinc/09/23/97/1062092397.db2.gz COJWVXDWFWKUEW-UTKZUKDTSA-N 1 0 320.436 4.300 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC001459333672 1062093058 /nfs/dbraw/zinc/09/30/58/1062093058.db2.gz KLLYERJRVRBKJK-NRFANRHFSA-N 1 0 304.437 4.464 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001474421628 1062095780 /nfs/dbraw/zinc/09/57/80/1062095780.db2.gz LHVNJCKBERJLCN-YZGWKJHDSA-N 1 0 300.490 4.231 20 30 DIEDRO C#Cc1cccc(N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC001474423635 1062098799 /nfs/dbraw/zinc/09/87/99/1062098799.db2.gz KVNZBANKJSBYGA-IFMALSPDSA-N 1 0 316.448 4.448 20 30 DIEDRO C=CCSCC[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC001474430434 1062103421 /nfs/dbraw/zinc/10/34/21/1062103421.db2.gz CHSZERAGSDMERB-UHFFFAOYSA-N 1 0 305.487 4.230 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001459353855 1062107656 /nfs/dbraw/zinc/10/76/56/1062107656.db2.gz WGPUYVRUZGRUKW-LAUBAEHRSA-N 1 0 320.436 4.137 20 30 DIEDRO C[C@@]1([NH2+]C2CC(C#N)(c3ccccc3)C2)CCCc2ccccc21 ZINC001474433090 1062110201 /nfs/dbraw/zinc/11/02/01/1062110201.db2.gz PTQLVCSDNLHIHW-NJEKYYFSSA-N 1 0 316.448 4.452 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC001474440996 1062117094 /nfs/dbraw/zinc/11/70/94/1062117094.db2.gz BQIYPROGOQSZQV-IRXDYDNUSA-N 1 0 302.462 4.131 20 30 DIEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001459447935 1062147528 /nfs/dbraw/zinc/14/75/28/1062147528.db2.gz KHNINBKVOKXLBT-AEFFLSMTSA-N 1 0 312.457 4.228 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001459467148 1062153791 /nfs/dbraw/zinc/15/37/91/1062153791.db2.gz NIVVXSGZTRZMBS-OAQYLSRUSA-N 1 0 304.437 4.154 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001459467136 1062154720 /nfs/dbraw/zinc/15/47/20/1062154720.db2.gz NIVVXSGZTRZMBS-NRFANRHFSA-N 1 0 304.437 4.154 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(Br)n1)CC1CCCCC1 ZINC001459475597 1062158031 /nfs/dbraw/zinc/15/80/31/1062158031.db2.gz ARRZCXIBFQILOL-UHFFFAOYSA-N 1 0 323.278 4.412 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1SCC ZINC001474485501 1062163009 /nfs/dbraw/zinc/16/30/09/1062163009.db2.gz LTSNHNNFVAPMHO-IEZWGBDMSA-N 1 0 319.514 4.300 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001254547612 1062170577 /nfs/dbraw/zinc/17/05/77/1062170577.db2.gz CRPTUKYQUFNZMU-CRAIPNDOSA-N 1 0 310.397 4.433 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC001467644701 1062172733 /nfs/dbraw/zinc/17/27/33/1062172733.db2.gz OSMKOVUZBXTISO-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C12CCCCC2 ZINC001474497454 1062176454 /nfs/dbraw/zinc/17/64/54/1062176454.db2.gz KSLNEBXFBXFGHM-SLFFLAALSA-N 1 0 324.468 4.263 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC001459520307 1062178867 /nfs/dbraw/zinc/17/88/67/1062178867.db2.gz JCIYLBLRIJPNEU-NVXWUHKLSA-N 1 0 323.358 4.201 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1)C(C)C ZINC001474509899 1062191949 /nfs/dbraw/zinc/19/19/49/1062191949.db2.gz YQWPTXIDJVNFLO-NHYWBVRUSA-N 1 0 300.229 4.008 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1)C(C)C ZINC001474509896 1062190539 /nfs/dbraw/zinc/19/05/39/1062190539.db2.gz YQWPTXIDJVNFLO-ABAIWWIYSA-N 1 0 300.229 4.008 20 30 DIEDRO C#C[C@@H](CC)[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC001474509365 1062190841 /nfs/dbraw/zinc/19/08/41/1062190841.db2.gz SLEWJIWUIPBKAG-KRWDZBQOSA-N 1 0 313.391 4.120 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1)C(C)C ZINC001474509897 1062190952 /nfs/dbraw/zinc/19/09/52/1062190952.db2.gz YQWPTXIDJVNFLO-IAQYHMDHSA-N 1 0 300.229 4.008 20 30 DIEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@@H](C)CCC#N ZINC001474514561 1062197147 /nfs/dbraw/zinc/19/71/47/1062197147.db2.gz AGOKXRIOWLYFAM-JZXOWHBKSA-N 1 0 300.446 4.408 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC001474517833 1062201265 /nfs/dbraw/zinc/20/12/65/1062201265.db2.gz WPVYVROARYKDFH-UHFFFAOYSA-N 1 0 317.816 4.209 20 30 DIEDRO C=CCC1(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CCCC1 ZINC001474522423 1062206239 /nfs/dbraw/zinc/20/62/39/1062206239.db2.gz UCBMLQHAPDXYEV-UHFFFAOYSA-N 1 0 322.493 4.016 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C1 ZINC001254635901 1062209073 /nfs/dbraw/zinc/20/90/73/1062209073.db2.gz GHMMZWPQDOXPNX-ROUUACIJSA-N 1 0 306.409 4.303 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC001254635764 1062209194 /nfs/dbraw/zinc/20/91/94/1062209194.db2.gz SHVOYKQOSUNZFK-WPGHFRTFSA-N 1 0 319.246 4.108 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)c2F)C1 ZINC001254649123 1062212755 /nfs/dbraw/zinc/21/27/55/1062212755.db2.gz NLEKIZUCKSAUCT-GZMMTYOYSA-N 1 0 320.717 4.280 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CCC2)C1 ZINC001254650154 1062214138 /nfs/dbraw/zinc/21/41/38/1062214138.db2.gz XYNYRHRQRSCANP-QWHCGFSZSA-N 1 0 308.347 4.366 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C1 ZINC001254649084 1062214681 /nfs/dbraw/zinc/21/46/81/1062214681.db2.gz MQAHNPVLMAICPV-LDYMZIIASA-N 1 0 303.620 4.429 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CCC(F)(F)CC2)C1 ZINC001254649927 1062215628 /nfs/dbraw/zinc/21/56/28/1062215628.db2.gz WMQSNGBLLYXLAB-IAGOWNOFSA-N 1 0 318.411 4.459 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CCC2)C1 ZINC001254659114 1062219300 /nfs/dbraw/zinc/21/93/00/1062219300.db2.gz ZIQSEFPGLXOSHI-ZFWWWQNUSA-N 1 0 322.374 4.452 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001459577851 1062219596 /nfs/dbraw/zinc/21/95/96/1062219596.db2.gz OVRNRERSHRQWAG-QRWLVFNGSA-N 1 0 308.400 4.323 20 30 DIEDRO N#C[C@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC001254659708 1062220480 /nfs/dbraw/zinc/22/04/80/1062220480.db2.gz BMJBBCPWWSYMSN-MAZHCROVSA-N 1 0 319.246 4.278 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)cc1 ZINC001474535301 1062223001 /nfs/dbraw/zinc/22/30/01/1062223001.db2.gz UATYJMRWLYAJDO-IRLDBZIGSA-N 1 0 319.448 4.299 20 30 DIEDRO CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254664978 1062223876 /nfs/dbraw/zinc/22/38/76/1062223876.db2.gz KPSPHKVAAUDYEU-IGGJEDBVSA-N 1 0 323.484 4.013 20 30 DIEDRO CCC[N@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@H](C#N)C1 ZINC001254671334 1062225353 /nfs/dbraw/zinc/22/53/53/1062225353.db2.gz QPGJMJNAMNTQNU-XJKSGUPXSA-N 1 0 321.262 4.353 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC001254672063 1062227321 /nfs/dbraw/zinc/22/73/21/1062227321.db2.gz XEBVJPVRIVGSRO-WQVCFCJDSA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC001254677862 1062229835 /nfs/dbraw/zinc/22/98/35/1062229835.db2.gz XCWNLTXSMDCXAU-INWMFGNUSA-N 1 0 324.346 4.414 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC001254677868 1062230437 /nfs/dbraw/zinc/23/04/37/1062230437.db2.gz XCWNLTXSMDCXAU-XNRPHZJLSA-N 1 0 324.346 4.414 20 30 DIEDRO C#C[C@@H]([NH2+]CCCc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC001474543678 1062235258 /nfs/dbraw/zinc/23/52/58/1062235258.db2.gz ARYOEFDWPLBCRJ-GOSISDBHSA-N 1 0 303.327 4.001 20 30 DIEDRO C#C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(Br)cc1 ZINC001474545245 1062240542 /nfs/dbraw/zinc/24/05/42/1062240542.db2.gz CHINOXDZHJKWQB-CZUORRHYSA-N 1 0 304.231 4.069 20 30 DIEDRO C=C(C)C[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254787298 1062247205 /nfs/dbraw/zinc/24/72/05/1062247205.db2.gz FNWRYSQEKXQKHV-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1)C(C)(C)C ZINC001254787390 1062251162 /nfs/dbraw/zinc/25/11/62/1062251162.db2.gz WUPJQLCOWQAFSQ-HNNXBMFYSA-N 1 0 322.493 4.063 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)C1 ZINC001474553558 1062253429 /nfs/dbraw/zinc/25/34/29/1062253429.db2.gz PXYSVWHEEZPHPE-POAQFYNOSA-N 1 0 311.469 4.415 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001459633388 1062266802 /nfs/dbraw/zinc/26/68/02/1062266802.db2.gz KAHYFSHKCRSTMY-UHFFFAOYSA-N 1 0 312.498 4.216 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(C)(C)C ZINC001474562942 1062269044 /nfs/dbraw/zinc/26/90/44/1062269044.db2.gz DWFRUXCSJFOZFZ-INIZCTEOSA-N 1 0 316.445 4.171 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1c1ccccc1 ZINC001459673581 1062294955 /nfs/dbraw/zinc/29/49/55/1062294955.db2.gz VMCBACXNKMUBTH-KXBFYZLASA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1c1ccccc1 ZINC001459673567 1062295063 /nfs/dbraw/zinc/29/50/63/1062295063.db2.gz VMCBACXNKMUBTH-BEFAXECRSA-N 1 0 308.400 4.323 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC001255018810 1062300140 /nfs/dbraw/zinc/30/01/40/1062300140.db2.gz KXOHIINOJAHXRR-VQIMIIECSA-N 1 0 311.425 4.117 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001459692398 1062312105 /nfs/dbraw/zinc/31/21/05/1062312105.db2.gz CSPSPCZLNWCCPX-QZTJIDSGSA-N 1 0 319.876 4.217 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001255109550 1062319313 /nfs/dbraw/zinc/31/93/13/1062319313.db2.gz UATGGVIPKHJVLI-NHCUHLMSSA-N 1 0 306.453 4.168 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C1(c2ccccc2Br)CCC1 ZINC001474610194 1062325974 /nfs/dbraw/zinc/32/59/74/1062325974.db2.gz TUHISCKQMZNXJI-ZDUSSCGKSA-N 1 0 321.262 4.358 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001474619030 1062337298 /nfs/dbraw/zinc/33/72/98/1062337298.db2.gz LNJKKXFCLYFAHH-QZFKAFNDSA-N 1 0 300.402 4.286 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC001474619126 1062337696 /nfs/dbraw/zinc/33/76/96/1062337696.db2.gz NVRQMSCTETYHMS-KRWDZBQOSA-N 1 0 309.457 4.184 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC001459733787 1062345706 /nfs/dbraw/zinc/34/57/06/1062345706.db2.gz KXJMHYFLCMGLGU-RTBURBONSA-N 1 0 314.473 4.168 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC001255164544 1062348329 /nfs/dbraw/zinc/34/83/29/1062348329.db2.gz OAEYDKXSRCUDEE-NHYWBVRUSA-N 1 0 307.235 4.108 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC001255164542 1062350645 /nfs/dbraw/zinc/35/06/45/1062350645.db2.gz OAEYDKXSRCUDEE-ABAIWWIYSA-N 1 0 307.235 4.108 20 30 DIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC001474629168 1062351218 /nfs/dbraw/zinc/35/12/18/1062351218.db2.gz UJVPVARGAHGBCN-QAQDUYKDSA-N 1 0 318.436 4.161 20 30 DIEDRO CCCCCCC[N@H+](CC)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255207879 1062355064 /nfs/dbraw/zinc/35/50/64/1062355064.db2.gz MZJDJKUVEXWLDN-PIIMJCKOSA-N 1 0 324.509 4.431 20 30 DIEDRO CCCCCCCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255210214 1062357295 /nfs/dbraw/zinc/35/72/95/1062357295.db2.gz ZGAYRKRQTVYEHA-PIIMJCKOSA-N 1 0 324.509 4.431 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C1(CC)CC ZINC001459748162 1062359374 /nfs/dbraw/zinc/35/93/74/1062359374.db2.gz KPTGOKGBLACYOJ-RBUKOAKNSA-N 1 0 314.473 4.282 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001474641415 1062365887 /nfs/dbraw/zinc/36/58/87/1062365887.db2.gz LUYPYMUJSASVNK-GMWOYJHMSA-N 1 0 308.469 4.416 20 30 DIEDRO C=CC[C@@H]([NH2+]C1CCC(C(=O)OCC)CC1)c1ccccc1 ZINC001255258898 1062367553 /nfs/dbraw/zinc/36/75/53/1062367553.db2.gz ZQJALPICRIZQIK-DAWZGUTISA-N 1 0 301.430 4.015 20 30 DIEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459760471 1062369171 /nfs/dbraw/zinc/36/91/71/1062369171.db2.gz MSZVOUVZNZBLHA-JSGCOSHPSA-N 1 0 312.240 4.248 20 30 DIEDRO CC(C)C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001459771093 1062382468 /nfs/dbraw/zinc/38/24/68/1062382468.db2.gz KGLNUOPCSFHMMI-OAHLLOKOSA-N 1 0 322.399 4.418 20 30 DIEDRO CC1(C)CCC([NH+]2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC001255308431 1062387963 /nfs/dbraw/zinc/38/79/63/1062387963.db2.gz PKKTZZPNWARHKC-UHFFFAOYSA-N 1 0 312.457 4.370 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001474660467 1062391366 /nfs/dbraw/zinc/39/13/66/1062391366.db2.gz OGAKMMDMJAAZCQ-LJQANCHMSA-N 1 0 324.509 4.216 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccc(C2(C)OCCO2)cc1 ZINC001474663238 1062394733 /nfs/dbraw/zinc/39/47/33/1062394733.db2.gz KLGBINXZBJBGKF-SFHVURJKSA-N 1 0 303.446 4.131 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001474677247 1062407762 /nfs/dbraw/zinc/40/77/62/1062407762.db2.gz HUOGUVCJYGHVGI-FKBYEOEOSA-N 1 0 316.448 4.260 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC001459796677 1062408417 /nfs/dbraw/zinc/40/84/17/1062408417.db2.gz DJAGOMPOFIJMEE-IBGZPJMESA-N 1 0 312.388 4.207 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3OC)CC2)cc1 ZINC001474678932 1062410341 /nfs/dbraw/zinc/41/03/41/1062410341.db2.gz BLVPEXXZIBYSLL-HXUWFJFHSA-N 1 0 319.448 4.446 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H]2CCCC[C@@H]12 ZINC001459805585 1062412241 /nfs/dbraw/zinc/41/22/41/1062412241.db2.gz GZRNOMMIQYJYIL-KCXAZCMYSA-N 1 0 320.383 4.170 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCC[C@H](C(=O)OCC)C1)c1ccccc1 ZINC001255358402 1062415565 /nfs/dbraw/zinc/41/55/65/1062415565.db2.gz WBASFOBXCAECPN-OKZBNKHCSA-N 1 0 301.430 4.015 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@@H](C)[C@H]1COC(C)(C)O1)c1ccccc1 ZINC001474685748 1062415752 /nfs/dbraw/zinc/41/57/52/1062415752.db2.gz ACZDPCXVDDCCSG-RYQLBKOJSA-N 1 0 303.446 4.214 20 30 DIEDRO N#Cc1ccc(C[N@H+](CCOC2CCCCCC2)C2CC2)cc1 ZINC001459816790 1062422806 /nfs/dbraw/zinc/42/28/06/1062422806.db2.gz FVQBLFCBGVJCRI-UHFFFAOYSA-N 1 0 312.457 4.262 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001474694666 1062425080 /nfs/dbraw/zinc/42/50/80/1062425080.db2.gz LBCAIXZXYSDQGB-CKEIUWERSA-N 1 0 309.375 4.418 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc2c(ccnc2Cl)o1)c1cccc(C#N)c1 ZINC001474706717 1062431460 /nfs/dbraw/zinc/43/14/60/1062431460.db2.gz JSCCWXSKAZVVKD-LLVKDONJSA-N 1 0 311.772 4.204 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC001459841625 1062441387 /nfs/dbraw/zinc/44/13/87/1062441387.db2.gz LLBBUCDZHMSGQP-OAHLLOKOSA-N 1 0 315.388 4.471 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)cc1F ZINC001474725775 1062447899 /nfs/dbraw/zinc/44/78/99/1062447899.db2.gz MKYJHOOUJJBUNT-CTYIDZIISA-N 1 0 316.326 4.011 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CSCc3ccccc32)C1 ZINC001255453632 1062450965 /nfs/dbraw/zinc/45/09/65/1062450965.db2.gz HEADEHVGGJRRDY-SYYJFZTOSA-N 1 0 320.461 4.188 20 30 DIEDRO C#Cc1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001474730971 1062452215 /nfs/dbraw/zinc/45/22/15/1062452215.db2.gz AZTRPMAGSSNMPK-SFHVURJKSA-N 1 0 324.855 4.398 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC#Cc2ccccc2)C2CCC2)cc1 ZINC001474736436 1062454191 /nfs/dbraw/zinc/45/41/91/1062454191.db2.gz HLFUSERHUGLCTP-OAQYLSRUSA-N 1 0 305.421 4.178 20 30 DIEDRO Cc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1C#N ZINC001459884500 1062471688 /nfs/dbraw/zinc/47/16/88/1062471688.db2.gz UFUHXFHNRCAKER-UHFFFAOYSA-N 1 0 313.404 4.028 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001459892935 1062477894 /nfs/dbraw/zinc/47/78/94/1062477894.db2.gz RTVYZHPVBCQJHE-SJORKVTESA-N 1 0 324.509 4.358 20 30 DIEDRO COC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001255582538 1062486609 /nfs/dbraw/zinc/48/66/09/1062486609.db2.gz WRJXAEBRPQLITD-SJORKVTESA-N 1 0 308.425 4.156 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)ccc1OC(F)(F)F ZINC001255633964 1062492027 /nfs/dbraw/zinc/49/20/27/1062492027.db2.gz YUTHQLRSYWFTFR-SSDOTTSWSA-N 1 0 319.220 4.155 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC001459912462 1062492164 /nfs/dbraw/zinc/49/21/64/1062492164.db2.gz RRPYRXQLXLYPRS-OAHLLOKOSA-N 1 0 303.450 4.352 20 30 DIEDRO COc1ccccc1C[C@H]([NH2+]Cc1ccc(C#N)cc1C)C(C)C ZINC001459925817 1062502459 /nfs/dbraw/zinc/50/24/59/1062502459.db2.gz SZLVQMFNNDNRGA-FQEVSTJZSA-N 1 0 322.452 4.232 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001255656812 1062503103 /nfs/dbraw/zinc/50/31/03/1062503103.db2.gz CCSTYMZHMMOYLK-CYBMUJFWSA-N 1 0 310.363 4.154 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1cc2ccccc2s1 ZINC001459954809 1062521910 /nfs/dbraw/zinc/52/19/10/1062521910.db2.gz AUUHWXZWGWXEAB-SUMWQHHRSA-N 1 0 322.433 4.157 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001255706025 1062528780 /nfs/dbraw/zinc/52/87/80/1062528780.db2.gz NZZHNIBNXAELFH-JKSUJKDBSA-N 1 0 308.347 4.037 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001255706023 1062530372 /nfs/dbraw/zinc/53/03/72/1062530372.db2.gz NZZHNIBNXAELFH-HOTGVXAUSA-N 1 0 308.347 4.037 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(F)c(F)c1 ZINC001459980792 1062540406 /nfs/dbraw/zinc/54/04/06/1062540406.db2.gz QZBCDAHOLZEKHI-RHSMWYFYSA-N 1 0 307.384 4.273 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(F)c(F)c1 ZINC001459980375 1062540685 /nfs/dbraw/zinc/54/06/85/1062540685.db2.gz OBDNFNGFMFBSBY-ZUXXIDCJSA-N 1 0 307.384 4.129 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H]1CCC(C)(C)CO1)c1ccc(F)c(F)c1 ZINC001459978280 1062541348 /nfs/dbraw/zinc/54/13/48/1062541348.db2.gz DAFCLJYKKGZLHS-RHSMWYFYSA-N 1 0 309.400 4.377 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)CC12CCCCC2 ZINC001459997450 1062557121 /nfs/dbraw/zinc/55/71/21/1062557121.db2.gz WPDPSBDJCGPPKI-HNNXBMFYSA-N 1 0 300.421 4.490 20 30 DIEDRO Cc1ccccc1[C@@]1(F)CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC001460013115 1062566925 /nfs/dbraw/zinc/56/69/25/1062566925.db2.gz HFTMTCASFROTEP-OXJNMPFZSA-N 1 0 308.400 4.498 20 30 DIEDRO C=CC[C@H]1[N@H+](CCOc2cccc(OC)c2)CCCC1(C)C ZINC001460027539 1062581231 /nfs/dbraw/zinc/58/12/31/1062581231.db2.gz FZGZZPYXYLFHKF-GOSISDBHSA-N 1 0 303.446 4.141 20 30 DIEDRO Cc1ccc(SC[C@@H](C)NC(=[NH2+])c2ccc(C)c(C)c2)cc1 ZINC001255762724 1062584665 /nfs/dbraw/zinc/58/46/65/1062584665.db2.gz WSBUXEVZVVXUON-MRXNPFEDSA-N 1 0 312.482 4.498 20 30 DIEDRO Cc1ccc(SC[C@@H](C)[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001255769483 1062594015 /nfs/dbraw/zinc/59/40/15/1062594015.db2.gz HMFVKVMSCJPMGR-VQHPVUNQSA-N 1 0 300.471 4.242 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001460044235 1062595253 /nfs/dbraw/zinc/59/52/53/1062595253.db2.gz WAWQHZMTFGMVNR-KRWDZBQOSA-N 1 0 301.430 4.182 20 30 DIEDRO Cc1ccc([C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)c(C)c1 ZINC001460056018 1062606415 /nfs/dbraw/zinc/60/64/15/1062606415.db2.gz QIEXYEZXTJFZKJ-KRWDZBQOSA-N 1 0 308.400 4.304 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CCCCC1(C)C ZINC001460085679 1062624830 /nfs/dbraw/zinc/62/48/30/1062624830.db2.gz IHPNAUQBBIDAPX-MRXNPFEDSA-N 1 0 305.462 4.366 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001255839332 1062625058 /nfs/dbraw/zinc/62/50/58/1062625058.db2.gz VARBSINRGMTYEX-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCOc1ccccc1C#N ZINC001460164607 1062672974 /nfs/dbraw/zinc/67/29/74/1062672974.db2.gz WZBXBVMAWDXVDV-FUHIMQAGSA-N 1 0 320.436 4.204 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC001460161405 1062673770 /nfs/dbraw/zinc/67/37/70/1062673770.db2.gz LJKQAEIZFZEXHX-GQIGUUNPSA-N 1 0 320.436 4.333 20 30 DIEDRO C=CCCC1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001470074327 1062698065 /nfs/dbraw/zinc/69/80/65/1062698065.db2.gz CCKJRAVVMCIRCI-GOSISDBHSA-N 1 0 320.521 4.140 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001256107785 1062708604 /nfs/dbraw/zinc/70/86/04/1062708604.db2.gz UVZXJFQFTJRPFX-LEWJYISDSA-N 1 0 304.437 4.417 20 30 DIEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001256109732 1062710000 /nfs/dbraw/zinc/71/00/00/1062710000.db2.gz PJTXUJQACBIAOZ-PMACEKPBSA-N 1 0 320.436 4.253 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001256189904 1062745156 /nfs/dbraw/zinc/74/51/56/1062745156.db2.gz JFLKKMASFORYIT-UONOGXRCSA-N 1 0 321.262 4.006 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001460267833 1062746025 /nfs/dbraw/zinc/74/60/25/1062746025.db2.gz WRMIURGSNLSWHJ-HOTGVXAUSA-N 1 0 315.417 4.113 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001470297610 1062746783 /nfs/dbraw/zinc/74/67/83/1062746783.db2.gz PMEOOUJHQDVRTC-QZTJIDSGSA-N 1 0 310.526 4.220 20 30 DIEDRO C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC001256229154 1062751674 /nfs/dbraw/zinc/75/16/74/1062751674.db2.gz MUWRNMWUYMJAIJ-DZGCQCFKSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001460272366 1062751956 /nfs/dbraw/zinc/75/19/56/1062751956.db2.gz WCZXFHWKUCNABG-HXUWFJFHSA-N 1 0 308.400 4.295 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[NH+]1CCC(C#N)CC1 ZINC001256222546 1062752687 /nfs/dbraw/zinc/75/26/87/1062752687.db2.gz MZKXUXWWGAMEBA-CYBMUJFWSA-N 1 0 321.262 4.006 20 30 DIEDRO CCCCCCCNC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 ZINC001470385917 1062766959 /nfs/dbraw/zinc/76/69/59/1062766959.db2.gz UQBWXYQURZEGOK-CALCHBBNSA-N 1 0 317.477 4.139 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CCC(C)C)[C@H]2CC ZINC001256364227 1062789049 /nfs/dbraw/zinc/78/90/49/1062789049.db2.gz QMFYWSMPNGTDDV-BJLQDIEVSA-N 1 0 320.521 4.233 20 30 DIEDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001460399165 1062831443 /nfs/dbraw/zinc/83/14/43/1062831443.db2.gz CMHPUGLPPSLILN-WOJBJXKFSA-N 1 0 320.436 4.046 20 30 DIEDRO C=CCCCCCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001477331514 1062851574 /nfs/dbraw/zinc/85/15/74/1062851574.db2.gz NEXVMZOMLOJQSG-UHFFFAOYSA-N 1 0 323.525 4.077 20 30 DIEDRO C=CCC1([NH2+]Cc2ncc(-c3ccccc3F)o2)CCCC1 ZINC001460447494 1062860402 /nfs/dbraw/zinc/86/04/02/1062860402.db2.gz LLQYQSBYMHCKSL-UHFFFAOYSA-N 1 0 300.377 4.459 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001460522047 1062897266 /nfs/dbraw/zinc/89/72/66/1062897266.db2.gz LPHIFUMXJKGACR-OAHLLOKOSA-N 1 0 301.430 4.040 20 30 DIEDRO N#Cc1ccccc1NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001460537568 1062903202 /nfs/dbraw/zinc/90/32/02/1062903202.db2.gz BIXGFWABVKIGAV-UHFFFAOYSA-N 1 0 309.457 4.325 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256586871 1062903585 /nfs/dbraw/zinc/90/35/85/1062903585.db2.gz RXKJHFVJTIGMPX-GOSISDBHSA-N 1 0 317.521 4.385 20 30 DIEDRO C=CCCCC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001460564752 1062914320 /nfs/dbraw/zinc/91/43/20/1062914320.db2.gz VSUZOFBIIULDTA-SFHVURJKSA-N 1 0 300.446 4.159 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCc2c(cccc2OC)C1)c1ccccc1 ZINC001256642716 1062930451 /nfs/dbraw/zinc/93/04/51/1062930451.db2.gz QKLLZEAWUGJDMW-AZUAARDMSA-N 1 0 307.437 4.460 20 30 DIEDRO CC[C@H](CO)[N@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC001460659843 1062967194 /nfs/dbraw/zinc/96/71/94/1062967194.db2.gz LNOYZIMIDYUOBS-LJQANCHMSA-N 1 0 314.473 4.124 20 30 DIEDRO CC(C)([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC001256785523 1062978128 /nfs/dbraw/zinc/97/81/28/1062978128.db2.gz GPHRQGYEROMDKZ-PMACEKPBSA-N 1 0 320.436 4.303 20 30 DIEDRO C=CCCCC[NH+]1CCN([C@H](CC)c2ccc(F)cc2)CC1 ZINC001460730421 1063023531 /nfs/dbraw/zinc/02/35/31/1063023531.db2.gz LWQODHSXHWJZGI-LJQANCHMSA-N 1 0 304.453 4.251 20 30 DIEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001460742003 1063032062 /nfs/dbraw/zinc/03/20/62/1063032062.db2.gz APMLDFOTIQJOBL-OAHLLOKOSA-N 1 0 312.388 4.126 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 ZINC001256958994 1063057511 /nfs/dbraw/zinc/05/75/11/1063057511.db2.gz RXEYSIYYWQPMBV-UHFFFAOYSA-N 1 0 322.334 4.039 20 30 DIEDRO CC(C)([NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC001256953197 1063058924 /nfs/dbraw/zinc/05/89/24/1063058924.db2.gz DDWHZCNDSFSYOD-UHFFFAOYSA-N 1 0 321.262 4.356 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001256950582 1063059656 /nfs/dbraw/zinc/05/96/56/1063059656.db2.gz ILDOLHPBMIPBKL-UHFFFAOYSA-N 1 0 300.299 4.016 20 30 DIEDRO N#CC1CCC([NH2+]C2(c3cccc(Br)c3)CC2)CC1 ZINC001256958517 1063059680 /nfs/dbraw/zinc/05/96/80/1063059680.db2.gz DYMIOIMDUFEHFO-UHFFFAOYSA-N 1 0 319.246 4.110 20 30 DIEDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C1CCC(C#N)CC1 ZINC001256965487 1063060419 /nfs/dbraw/zinc/06/04/19/1063060419.db2.gz UVHLIHRJGHXABA-JFIBYHEFSA-N 1 0 312.457 4.304 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](CC2CCOCC2)c2ccccc2)CC1 ZINC001256962706 1063060582 /nfs/dbraw/zinc/06/05/82/1063060582.db2.gz ULEGJMCDCFIIAU-UUKMXZOPSA-N 1 0 312.457 4.216 20 30 DIEDRO N#CC1CCC([NH+]2CCC(Cc3ccccc3F)CC2)CC1 ZINC001256969640 1063060734 /nfs/dbraw/zinc/06/07/34/1063060734.db2.gz LZXAEIOCLJNUKQ-UHFFFAOYSA-N 1 0 300.421 4.163 20 30 DIEDRO N#CC1CCC([NH2+][C@H](CC2CCOCC2)c2ccccc2)CC1 ZINC001256962705 1063060783 /nfs/dbraw/zinc/06/07/83/1063060783.db2.gz ULEGJMCDCFIIAU-LYBXBRPPSA-N 1 0 312.457 4.216 20 30 DIEDRO N#CC1CCC([NH2+][C@H](c2ccnc(C(F)(F)F)c2)C2CC2)CC1 ZINC001256962305 1063062305 /nfs/dbraw/zinc/06/23/05/1063062305.db2.gz GZOZLZNUIRHYTJ-INORYPFCSA-N 1 0 323.362 4.223 20 30 DIEDRO N#CC1CCC([N@H+](Cc2ccccc2)Cc2ccccn2)CC1 ZINC001256964715 1063062586 /nfs/dbraw/zinc/06/25/86/1063062586.db2.gz BJMKIPXPMBTCCW-UHFFFAOYSA-N 1 0 305.425 4.166 20 30 DIEDRO COc1ccccc1CC1(C[NH2+]C2CCC(C#N)CC2)CCC1 ZINC001256962156 1063062966 /nfs/dbraw/zinc/06/29/66/1063062966.db2.gz COJHRXAJGFOCTO-UHFFFAOYSA-N 1 0 312.457 4.080 20 30 DIEDRO C#CC[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C(C)(C)C ZINC001460807043 1063071599 /nfs/dbraw/zinc/07/15/99/1063071599.db2.gz LVQNSJMDKQPIRO-UHFFFAOYSA-N 1 0 320.436 4.173 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(Br)o1)c1cccc(C#N)c1 ZINC001331984576 1063072830 /nfs/dbraw/zinc/07/28/30/1063072830.db2.gz PHRXVYMDSQQDNM-CQSZACIVSA-N 1 0 319.202 4.155 20 30 DIEDRO C[C@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1cccnc1 ZINC001257008096 1063074155 /nfs/dbraw/zinc/07/41/55/1063074155.db2.gz HLJOOUASACTFDY-IJNIYJAUSA-N 1 0 305.425 4.330 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCc3ccccc3)CC2)cc1 ZINC001257008493 1063075255 /nfs/dbraw/zinc/07/52/55/1063075255.db2.gz LTDNWZGNMHDSSA-UHFFFAOYSA-N 1 0 304.437 4.417 20 30 DIEDRO N#Cc1ccc(C2CCC(Nc3ccc(CC[NH3+])cc3)CC2)cc1 ZINC001257009888 1063076800 /nfs/dbraw/zinc/07/68/00/1063076800.db2.gz QDXZWTSIOJZTKJ-UHFFFAOYSA-N 1 0 319.452 4.198 20 30 DIEDRO CCCCOCCC[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257010615 1063077967 /nfs/dbraw/zinc/07/79/67/1063077967.db2.gz DIQJDPQCPPINEN-UHFFFAOYSA-N 1 0 314.473 4.381 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]Cc3cccc(O)c3)CC2)cc1 ZINC001257010325 1063078086 /nfs/dbraw/zinc/07/80/86/1063078086.db2.gz YKMIPWNIFXVCCU-UHFFFAOYSA-N 1 0 306.409 4.080 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)COCC1CCCCC1)c1ccc(C#N)cc1 ZINC001460814096 1063078502 /nfs/dbraw/zinc/07/85/02/1063078502.db2.gz HICDTRCNFBGNGF-JKSUJKDBSA-N 1 0 300.446 4.194 20 30 DIEDRO Cc1ccnc(CC[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001257010878 1063078695 /nfs/dbraw/zinc/07/86/95/1063078695.db2.gz LOCONELDGPXQMO-UHFFFAOYSA-N 1 0 319.452 4.120 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1nccs1 ZINC001257010690 1063078948 /nfs/dbraw/zinc/07/89/48/1063078948.db2.gz FTXYOBMDARMZRQ-NVPAJSRCSA-N 1 0 311.454 4.392 20 30 DIEDRO N#Cc1ccc(C2CCC(Nc3cccc(CC[NH3+])c3)CC2)cc1 ZINC001257015348 1063079970 /nfs/dbraw/zinc/07/99/70/1063079970.db2.gz YNRUIARJYDXGQF-UHFFFAOYSA-N 1 0 319.452 4.198 20 30 DIEDRO Cc1cnc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC001257013311 1063082559 /nfs/dbraw/zinc/08/25/59/1063082559.db2.gz FUPIVIZRGXKUSS-UHFFFAOYSA-N 1 0 311.454 4.139 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001257017714 1063083520 /nfs/dbraw/zinc/08/35/20/1063083520.db2.gz YRJUTDGMROKSQZ-MAHYXTOZSA-N 1 0 324.468 4.085 20 30 DIEDRO C[N@H+](Cc1nccs1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019263 1063084051 /nfs/dbraw/zinc/08/40/51/1063084051.db2.gz MWWQFEQVUKTFKM-UHFFFAOYSA-N 1 0 311.454 4.173 20 30 DIEDRO C[N@H+](CCc1cccnc1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257021318 1063084351 /nfs/dbraw/zinc/08/43/51/1063084351.db2.gz SGWOBSYRRMEZDQ-UHFFFAOYSA-N 1 0 319.452 4.154 20 30 DIEDRO CO[C@@H]1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC001257021849 1063085567 /nfs/dbraw/zinc/08/55/67/1063085567.db2.gz CPCYPEWMDZMBGD-VUVIGMMVSA-N 1 0 312.457 4.084 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257021500 1063085852 /nfs/dbraw/zinc/08/58/52/1063085852.db2.gz VEVKUUFJNFYNHB-QHGAOEGBSA-N 1 0 307.441 4.210 20 30 DIEDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019735 1063086310 /nfs/dbraw/zinc/08/63/10/1063086310.db2.gz VWVRMXFUBWYFAC-BWQRXAFVSA-N 1 0 324.468 4.226 20 30 DIEDRO CCOC(=O)[C@@H]1CC[C@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001257064728 1063098596 /nfs/dbraw/zinc/09/85/96/1063098596.db2.gz XAJDATQWTJZQOC-AEFFLSMTSA-N 1 0 320.477 4.047 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460878166 1063111235 /nfs/dbraw/zinc/11/12/35/1063111235.db2.gz FTPOVAYVRKXBPA-IAGOWNOFSA-N 1 0 324.509 4.216 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001460874560 1063111651 /nfs/dbraw/zinc/11/16/51/1063111651.db2.gz QNLHEGRUGKBPDH-XETPZZHUSA-N 1 0 318.420 4.245 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC001460874558 1063113429 /nfs/dbraw/zinc/11/34/29/1063113429.db2.gz QNLHEGRUGKBPDH-QXHGNLAOSA-N 1 0 318.420 4.245 20 30 DIEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001460872174 1063113469 /nfs/dbraw/zinc/11/34/69/1063113469.db2.gz QYKRMJNRSYSPKO-GOSISDBHSA-N 1 0 314.429 4.356 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1)C(C)(C)C ZINC001257141959 1063121851 /nfs/dbraw/zinc/12/18/51/1063121851.db2.gz KSNYUSYOTJCOGD-HOTGVXAUSA-N 1 0 324.509 4.451 20 30 DIEDRO C=CC[N@@H+]([C@@H](C)Cc1ccc(C(=O)OCC)cc1)C(C)(C)C ZINC001257168915 1063125682 /nfs/dbraw/zinc/12/56/82/1063125682.db2.gz YHNHDSZIJGTUJX-HNNXBMFYSA-N 1 0 303.446 4.081 20 30 DIEDRO C=CC[C@H]1CC[N@H+]1Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC001460904310 1063126991 /nfs/dbraw/zinc/12/69/91/1063126991.db2.gz FYCJEWPMNCAGDB-IBGZPJMESA-N 1 0 322.452 4.428 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)(C)C ZINC001460906975 1063128182 /nfs/dbraw/zinc/12/81/82/1063128182.db2.gz BGVDNRRCZSRSAA-LJQANCHMSA-N 1 0 310.416 4.258 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC001460911997 1063132394 /nfs/dbraw/zinc/13/23/94/1063132394.db2.gz XDLBTOIWQHRHPD-QGZVFWFLSA-N 1 0 313.832 4.256 20 30 DIEDRO Cc1cc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c(C#N)cn1 ZINC001472665742 1063132655 /nfs/dbraw/zinc/13/26/55/1063132655.db2.gz UUNDZTPBDSUSFN-UHFFFAOYSA-N 1 0 320.440 4.034 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001257195124 1063135096 /nfs/dbraw/zinc/13/50/96/1063135096.db2.gz GWUTXIJZWKVNJQ-IAGOWNOFSA-N 1 0 322.493 4.085 20 30 DIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCCC23CCCCCC3)cc1 ZINC001460960303 1063160196 /nfs/dbraw/zinc/16/01/96/1063160196.db2.gz UQUAUXNQJNBAHL-LJQANCHMSA-N 1 0 312.457 4.171 20 30 DIEDRO C=C(CC)C[N@@H+]1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 ZINC001460979578 1063164941 /nfs/dbraw/zinc/16/49/41/1063164941.db2.gz LZVHKLMJMIUBAC-UHFFFAOYSA-N 1 0 316.445 4.358 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc(OCC)c(OCC)c2)C1 ZINC001460993876 1063172635 /nfs/dbraw/zinc/17/26/35/1063172635.db2.gz CIRHFOAJVWAKII-WMZOPIPTSA-N 1 0 317.473 4.361 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[NH2+]CCCCC#N)ccc2c1 ZINC001257273543 1063175956 /nfs/dbraw/zinc/17/59/56/1063175956.db2.gz QLWKTCWDKMJCMB-MRXNPFEDSA-N 1 0 310.441 4.453 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[N@@H+]3CCC[C@H](C#N)C3)ccc2c1 ZINC001257280712 1063176367 /nfs/dbraw/zinc/17/63/67/1063176367.db2.gz DXHXKAWYSFXXOK-SJLPKXTDSA-N 1 0 322.452 4.405 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[NH2+]CC3(C#N)CC3)ccc2c1 ZINC001257274846 1063177450 /nfs/dbraw/zinc/17/74/50/1063177450.db2.gz LXCOIDAXMZNHNE-HNNXBMFYSA-N 1 0 308.425 4.063 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[NH+]3CC(CC#N)C3)ccc2c1 ZINC001257278814 1063177789 /nfs/dbraw/zinc/17/77/89/1063177789.db2.gz SHGGWOSCAKLSIY-HNNXBMFYSA-N 1 0 308.425 4.015 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[N@@H+]3CC[C@@H](C#N)C3)ccc2c1 ZINC001257286025 1063180109 /nfs/dbraw/zinc/18/01/09/1063180109.db2.gz XEBLNYHNFBBZLQ-RDJZCZTQSA-N 1 0 308.425 4.015 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[N@@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC001257285072 1063180995 /nfs/dbraw/zinc/18/09/95/1063180995.db2.gz MXOFVIGZNREWKP-HRAATJIYSA-N 1 0 322.452 4.405 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC001461037497 1063207157 /nfs/dbraw/zinc/20/71/57/1063207157.db2.gz TZTOBHWEDZCOCQ-IPMKNSEASA-N 1 0 306.538 4.489 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C(CCC)CCC)[C@@H]2CC ZINC001257338358 1063218191 /nfs/dbraw/zinc/21/81/91/1063218191.db2.gz VFFLRXJYACLUNN-QUCCMNQESA-N 1 0 320.521 4.377 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)C1 ZINC001461056894 1063220456 /nfs/dbraw/zinc/22/04/56/1063220456.db2.gz OGKTXCDRQYSNCR-NQIIRXRSSA-N 1 0 312.501 4.294 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCCCCC)CC2 ZINC001257365684 1063234457 /nfs/dbraw/zinc/23/44/57/1063234457.db2.gz NVKVKBHZPSKPIC-ICSRJNTNSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](C)CCCCCC)CC2 ZINC001257365690 1063235776 /nfs/dbraw/zinc/23/57/76/1063235776.db2.gz NVKVKBHZPSKPIC-UYAOXDASSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)CCC(=O)OCCCC)c1ccccc1 ZINC001257392640 1063250603 /nfs/dbraw/zinc/25/06/03/1063250603.db2.gz ZQYAFSUMKXXQIJ-SJLPKXTDSA-N 1 0 303.446 4.405 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C1 ZINC001461110382 1063259820 /nfs/dbraw/zinc/25/98/20/1063259820.db2.gz BLMSFGZKMCXXND-ZBFHGGJFSA-N 1 0 301.430 4.027 20 30 DIEDRO CCCC[C@@H](CC)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001257413465 1063260941 /nfs/dbraw/zinc/26/09/41/1063260941.db2.gz WPKHNRFIVXLJPB-LJQANCHMSA-N 1 0 313.489 4.103 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H](CC)CCCC)C2 ZINC001257418433 1063265368 /nfs/dbraw/zinc/26/53/68/1063265368.db2.gz CWHPOEPFOMVKAZ-GBESFXJTSA-N 1 0 309.494 4.029 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001461139784 1063288271 /nfs/dbraw/zinc/28/82/71/1063288271.db2.gz VJIFTWBPDKDRSZ-FQEVSTJZSA-N 1 0 304.437 4.353 20 30 DIEDRO Cc1cc(C[NH2+]CC2(c3ccc(Cl)cc3)CC2)ccc1C#N ZINC001461138610 1063288839 /nfs/dbraw/zinc/28/88/39/1063288839.db2.gz DHCTUCVCVPGFTA-UHFFFAOYSA-N 1 0 310.828 4.342 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H](C)CCCCC)CCO2 ZINC001257515180 1063322795 /nfs/dbraw/zinc/32/27/95/1063322795.db2.gz OIJWYYUOYFUEBC-IPMKNSEASA-N 1 0 309.494 4.029 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001257550909 1063332793 /nfs/dbraw/zinc/33/27/93/1063332793.db2.gz XITMDKJJRBDGKZ-IAGOWNOFSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCCCC[C@@H](C)n1cc(C[NH3+])c(C)nc1=N ZINC001257550799 1063333218 /nfs/dbraw/zinc/33/32/18/1063333218.db2.gz VAZIHTNGGLNPCD-OAHLLOKOSA-N 1 0 306.498 4.221 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH2+]Cc1cncc(C(N)=O)c1 ZINC001257550178 1063333278 /nfs/dbraw/zinc/33/32/78/1063333278.db2.gz KGFXCASNVCPAEZ-MRXNPFEDSA-N 1 0 319.493 4.189 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001257555096 1063334830 /nfs/dbraw/zinc/33/48/30/1063334830.db2.gz ZXWXTIHKXMRQTP-XPKDYRNWSA-N 1 0 321.262 4.052 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257591682 1063348559 /nfs/dbraw/zinc/34/85/59/1063348559.db2.gz RRVYRMQIWYUQPP-MUJYYYPQSA-N 1 0 310.482 4.061 20 30 DIEDRO CCCCCCCNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001479016349 1063357133 /nfs/dbraw/zinc/35/71/33/1063357133.db2.gz WDJFKAJTLQWQFL-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO Cc1ccc(CN(C)[C@@H](C)c2cc(F)ccc2F)cc1C#N ZINC001473107672 1063405078 /nfs/dbraw/zinc/40/50/78/1063405078.db2.gz CFYLIFUAAIDYCY-ZDUSSCGKSA-N 1 0 300.352 4.338 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC001473110802 1063410888 /nfs/dbraw/zinc/41/08/88/1063410888.db2.gz AAFHEDYALUPJOY-FQEVSTJZSA-N 1 0 320.436 4.034 20 30 DIEDRO CC(C)OC1CCC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001257877306 1063418161 /nfs/dbraw/zinc/41/81/61/1063418161.db2.gz AZUBJLATMXZQDC-UHFFFAOYSA-N 1 0 306.837 4.037 20 30 DIEDRO CC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC001473117591 1063419200 /nfs/dbraw/zinc/41/92/00/1063419200.db2.gz LZGNEZISNADGMD-LZJOCLMNSA-N 1 0 322.452 4.106 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cc(Cl)c(O)c(OC)c3)C[C@H](C1)C2 ZINC001257887804 1063425800 /nfs/dbraw/zinc/42/58/00/1063425800.db2.gz LBGXZAGMGQRAOB-NNQSOWQGSA-N 1 0 321.848 4.279 20 30 DIEDRO CC(C)C[N@H+](CCc1ccccc1)CCc1ccc(C#N)cc1 ZINC001473122480 1063426747 /nfs/dbraw/zinc/42/67/47/1063426747.db2.gz DDVXZGSFIUOCFX-UHFFFAOYSA-N 1 0 306.453 4.301 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CC(C)(C)c3ccc(OC)cn3)C[C@H](C1)C2 ZINC001257890408 1063428310 /nfs/dbraw/zinc/42/83/10/1063428310.db2.gz KLPUYBLNWKNNMK-SJPCQFCGSA-N 1 0 314.473 4.092 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CC(C)(C)c3ncccc3F)C[C@H](C1)C2 ZINC001257890702 1063428749 /nfs/dbraw/zinc/42/87/49/1063428749.db2.gz WNXJMSYLQWBZOP-XYPWUTKMSA-N 1 0 302.437 4.223 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C3CCN(c4ccccc4)CC3)C[C@H](C1)C2 ZINC001257888226 1063428981 /nfs/dbraw/zinc/42/89/81/1063428981.db2.gz CJTPVYDJAKONJW-UFRUDQCGSA-N 1 0 310.485 4.380 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](c3ncccc3OC)C3CC3)C[C@H](C1)C2 ZINC001257890342 1063429192 /nfs/dbraw/zinc/42/91/92/1063429192.db2.gz VFRZNXPQGNQFIU-WRDFJOEHSA-N 1 0 312.457 4.266 20 30 DIEDRO C=C1C[C@@H]2CC([NH+]3CCN(C4CCCCC4)CC3)C[C@H](C1)C2 ZINC001257891903 1063430889 /nfs/dbraw/zinc/43/08/89/1063430889.db2.gz QOZWEOYXVJUFGB-UFRUDQCGSA-N 1 0 302.506 4.072 20 30 DIEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CCC(=O)CC4)CC3)C[C@H](C1)C2 ZINC001257895685 1063431623 /nfs/dbraw/zinc/43/16/23/1063431623.db2.gz YBKRHVSFHWAYLA-JWTNVVGKSA-N 1 0 301.474 4.347 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001473137015 1063443575 /nfs/dbraw/zinc/44/35/75/1063443575.db2.gz NCLGNFXZZLYTOP-UHFFFAOYSA-N 1 0 310.397 4.134 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC001473136788 1063444095 /nfs/dbraw/zinc/44/40/95/1063444095.db2.gz JLDZWHHTQKAQOY-IBGZPJMESA-N 1 0 315.844 4.104 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccccc1 ZINC001461363488 1063444804 /nfs/dbraw/zinc/44/48/04/1063444804.db2.gz HWKBHHJPKBFPFW-SFHVURJKSA-N 1 0 305.425 4.370 20 30 DIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)CC(C)(C)C ZINC001473146919 1063453597 /nfs/dbraw/zinc/45/35/97/1063453597.db2.gz UCIGRBIUNICBNS-MRXNPFEDSA-N 1 0 302.462 4.079 20 30 DIEDRO Cc1ccc([C@H]2CSCC[N@@H+]2CCc2ccc(C#N)cc2)cc1 ZINC001473160066 1063461577 /nfs/dbraw/zinc/46/15/77/1063461577.db2.gz ZRTKMEAAXXSXBO-HXUWFJFHSA-N 1 0 322.477 4.199 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC001546268368 1063466101 /nfs/dbraw/zinc/46/61/01/1063466101.db2.gz BQFSEXKLSFNGNX-RUDFYFPKSA-N 1 0 308.510 4.234 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1CCN(c2ccncn2)CC1 ZINC001258041151 1063472652 /nfs/dbraw/zinc/47/26/52/1063472652.db2.gz NPCQTCUSVKLLMV-KRWDZBQOSA-N 1 0 318.509 4.032 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1CCN(c2ccncn2)CC1 ZINC001258041152 1063473160 /nfs/dbraw/zinc/47/31/60/1063473160.db2.gz NPCQTCUSVKLLMV-QGZVFWFLSA-N 1 0 318.509 4.032 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccnc(OC2CCC2)n1 ZINC001258042813 1063475540 /nfs/dbraw/zinc/47/55/40/1063475540.db2.gz BCZFFIRXRBVVKT-HNNXBMFYSA-N 1 0 305.466 4.247 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC001258043095 1063475584 /nfs/dbraw/zinc/47/55/84/1063475584.db2.gz IVPHRXASBQYYEE-CYBMUJFWSA-N 1 0 305.388 4.284 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1CCN(c2cnccn2)CC1 ZINC001258041646 1063475796 /nfs/dbraw/zinc/47/57/96/1063475796.db2.gz YETOOSXCRMDSAK-KRWDZBQOSA-N 1 0 318.509 4.032 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(C(=O)C2CCC2)CC1 ZINC001258041524 1063475848 /nfs/dbraw/zinc/47/58/48/1063475848.db2.gz VNYJEHSKYOBKCP-INIZCTEOSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](CO)c1cccc(COC)c1 ZINC001258044122 1063477084 /nfs/dbraw/zinc/47/70/84/1063477084.db2.gz XWLIBBNZOIHQIK-LPHOPBHVSA-N 1 0 307.478 4.205 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(CC)C2=O)C1 ZINC001258046460 1063478376 /nfs/dbraw/zinc/47/83/76/1063478376.db2.gz BHAHLNGJJOKKMM-MJGOQNOKSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccnn1CC(F)(F)F ZINC001258043661 1063478670 /nfs/dbraw/zinc/47/86/70/1063478670.db2.gz RNAOFDRTGXJXBC-CYBMUJFWSA-N 1 0 305.388 4.284 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC001258046902 1063479526 /nfs/dbraw/zinc/47/95/26/1063479526.db2.gz FRWLYNGWNVPOSV-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001258050454 1063481342 /nfs/dbraw/zinc/48/13/42/1063481342.db2.gz VJNUXJBXYMFXAT-OAHLLOKOSA-N 1 0 323.456 4.208 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001258049626 1063482216 /nfs/dbraw/zinc/48/22/16/1063482216.db2.gz MCEUGYYFJFCXKZ-INIZCTEOSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001258049413 1063482888 /nfs/dbraw/zinc/48/28/88/1063482888.db2.gz HEGCLFQYYIOWFV-QGZVFWFLSA-N 1 0 323.525 4.005 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(Oc2ncccn2)CC1 ZINC001258049826 1063483208 /nfs/dbraw/zinc/48/32/08/1063483208.db2.gz PFFKEGAMKCTZJE-INIZCTEOSA-N 1 0 305.466 4.069 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001473176369 1063483422 /nfs/dbraw/zinc/48/34/22/1063483422.db2.gz VPKYMUKIRJBUJK-RTBURBONSA-N 1 0 314.473 4.282 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)n1cncc1C[C@@H]([NH3+])CO ZINC001258052894 1063484259 /nfs/dbraw/zinc/48/42/59/1063484259.db2.gz UVSMJGJJNJNVRD-QZTJIDSGSA-N 1 0 323.525 4.227 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001473184649 1063492979 /nfs/dbraw/zinc/49/29/79/1063492979.db2.gz LFTVUYHTGOUIIA-LJQANCHMSA-N 1 0 316.489 4.241 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258069427 1063497610 /nfs/dbraw/zinc/49/76/10/1063497610.db2.gz HYTVHYDCQNJVLP-LWYYNNOASA-N 1 0 323.521 4.273 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCCC(=O)OCC ZINC001258113702 1063525762 /nfs/dbraw/zinc/52/57/62/1063525762.db2.gz ZLYATHDOVTWVOG-JKSUJKDBSA-N 1 0 319.445 4.024 20 30 DIEDRO C=CC(C)(C)CC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001546125065 1063557403 /nfs/dbraw/zinc/55/74/03/1063557403.db2.gz TYDDPPKLAJRWEZ-UHFFFAOYSA-N 1 0 322.537 4.195 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258224144 1063565995 /nfs/dbraw/zinc/56/59/95/1063565995.db2.gz AMWTYJHVVSXQQP-HNAYVOBHSA-N 1 0 323.477 4.250 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001258228252 1063568169 /nfs/dbraw/zinc/56/81/69/1063568169.db2.gz FMBNENAMFIWRFB-ZWKOTPCHSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001258227865 1063568279 /nfs/dbraw/zinc/56/82/79/1063568279.db2.gz BLBIYVFOKQSERX-CVEARBPZSA-N 1 0 305.453 4.465 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001258229586 1063568381 /nfs/dbraw/zinc/56/83/81/1063568381.db2.gz RUMRABBHWVQRIA-INIZCTEOSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+][C@H]1CCN(c2ncccn2)C1 ZINC001258230233 1063568550 /nfs/dbraw/zinc/56/85/50/1063568550.db2.gz RXOMZOMUXJFPME-MSOLQXFVSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCN(c2ncccn2)C1 ZINC001258230240 1063568753 /nfs/dbraw/zinc/56/87/53/1063568753.db2.gz RXOMZOMUXJFPME-ZWKOTPCHSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCN(CCCOC)CC1 ZINC001258229115 1063568816 /nfs/dbraw/zinc/56/88/16/1063568816.db2.gz MBUFKXPPYIJDAC-LJQANCHMSA-N 1 0 312.542 4.170 20 30 DIEDRO CCCCCCCCC[C@@H](C)n1cc(C(=O)OCC)c(C[NH3+])n1 ZINC001258228652 1063569348 /nfs/dbraw/zinc/56/93/48/1063569348.db2.gz JDGUYFPVEXRBOD-OAHLLOKOSA-N 1 0 323.481 4.220 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC001258231426 1063570593 /nfs/dbraw/zinc/57/05/93/1063570593.db2.gz NVDZSWXBJIEPFU-MJGOQNOKSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001258231628 1063571152 /nfs/dbraw/zinc/57/11/52/1063571152.db2.gz RYRTXFJAVQWSIH-INIZCTEOSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001258232382 1063571185 /nfs/dbraw/zinc/57/11/85/1063571185.db2.gz PNDGXNWBJJMBBD-OTWHNJEPSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC001258231427 1063571556 /nfs/dbraw/zinc/57/15/56/1063571556.db2.gz NVDZSWXBJIEPFU-PKOBYXMFSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]CC(=O)NCc1ccco1 ZINC001258232098 1063572760 /nfs/dbraw/zinc/57/27/60/1063572760.db2.gz YNHWBEUPWKTOKS-MRXNPFEDSA-N 1 0 308.466 4.015 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC001461570717 1063586933 /nfs/dbraw/zinc/58/69/33/1063586933.db2.gz LPRONOZVCFDEBL-HXUWFJFHSA-N 1 0 317.436 4.149 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H]1CCCC(C)(C)C1)CCO2 ZINC001258291829 1063588822 /nfs/dbraw/zinc/58/88/22/1063588822.db2.gz PUHUQSWJGASHOF-NLWGTHIKSA-N 1 0 321.505 4.029 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC001461587903 1063598560 /nfs/dbraw/zinc/59/85/60/1063598560.db2.gz XDWJXVFFEAODAD-WGSAOQKQSA-N 1 0 319.489 4.429 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CC3CCC2CC3)cc(OC)c1O ZINC001461593061 1063601933 /nfs/dbraw/zinc/60/19/33/1063601933.db2.gz SHKNQJFVPTVASC-JFUPDXTOSA-N 1 0 315.457 4.045 20 30 DIEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258314300 1063605405 /nfs/dbraw/zinc/60/54/05/1063605405.db2.gz RXRADNDYQZNPMO-CVEARBPZSA-N 1 0 305.487 4.415 20 30 DIEDRO CSC(C)(C)C[C@H](C)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001258333815 1063615776 /nfs/dbraw/zinc/61/57/76/1063615776.db2.gz BCMXRDGLJNKJLR-INIZCTEOSA-N 1 0 316.514 4.464 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(C(=O)OC)cc2F)CCCC1 ZINC001461635142 1063626831 /nfs/dbraw/zinc/62/68/31/1063626831.db2.gz WCOIDPPPERYJME-UHFFFAOYSA-N 1 0 319.420 4.229 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC001461632382 1063627011 /nfs/dbraw/zinc/62/70/11/1063627011.db2.gz NXIXOFCTAAHOFO-SPYBWZPUSA-N 1 0 315.457 4.243 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC001461635224 1063627707 /nfs/dbraw/zinc/62/77/07/1063627707.db2.gz WZYADAZCEMSGKZ-DOTOQJQBSA-N 1 0 301.430 4.072 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001461635342 1063628626 /nfs/dbraw/zinc/62/86/26/1063628626.db2.gz XNJPMRNHXVSAOK-GUYCJALGSA-N 1 0 308.416 4.255 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@]2(C)CC2(C)C)cc1OC ZINC001461649139 1063633837 /nfs/dbraw/zinc/63/38/37/1063633837.db2.gz VBAFKRZYRZPYJS-QGZVFWFLSA-N 1 0 309.837 4.192 20 30 DIEDRO CC(C)COc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1 ZINC001461647201 1063633856 /nfs/dbraw/zinc/63/38/56/1063633856.db2.gz YLKLEMFMACOMMJ-UHFFFAOYSA-N 1 0 300.446 4.285 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001461674307 1063651602 /nfs/dbraw/zinc/65/16/02/1063651602.db2.gz AVQXULQENXHJGT-IEBWSBKVSA-N 1 0 300.490 4.404 20 30 DIEDRO N#Cc1ccccc1N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001461674723 1063651767 /nfs/dbraw/zinc/65/17/67/1063651767.db2.gz AKTRCQLFGMSMGG-UHFFFAOYSA-N 1 0 311.473 4.087 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](CC)CCCCC)C2 ZINC001258441965 1063656242 /nfs/dbraw/zinc/65/62/42/1063656242.db2.gz VDJMAERFVOWAFV-CEXWTWQISA-N 1 0 309.494 4.171 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)[C@H]2CCCOC2)cc1Cl ZINC001461710866 1063674460 /nfs/dbraw/zinc/67/44/60/1063674460.db2.gz PMPPSIILQKTEAI-DOTOQJQBSA-N 1 0 323.864 4.200 20 30 DIEDRO C=C[C@@H]([NH2+]C1CCC2(CC1)OCC(C)(C)CO2)c1ccccc1 ZINC001258522491 1063682418 /nfs/dbraw/zinc/68/24/18/1063682418.db2.gz LOZXPCXXFYIQDH-GOSISDBHSA-N 1 0 315.457 4.215 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC001461742565 1063691175 /nfs/dbraw/zinc/69/11/75/1063691175.db2.gz UWVDKNDARBIRDG-UHFFFAOYSA-N 1 0 309.457 4.325 20 30 DIEDRO C#CCN1CCC[C@H]([NH2+]C/C(=C\c2ccccc2)CCCCC)C1 ZINC001461751198 1063695336 /nfs/dbraw/zinc/69/53/36/1063695336.db2.gz FFQVVXPBRGWWBX-FQEQIMQSSA-N 1 0 324.512 4.338 20 30 DIEDRO CCCCCCC[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258570274 1063696165 /nfs/dbraw/zinc/69/61/65/1063696165.db2.gz LOBCIXJCXJSZCN-IBGZPJMESA-N 1 0 316.489 4.128 20 30 DIEDRO COc1ccc2ccccc2c1CC[NH2+]Cc1ccc(C#N)cc1 ZINC001461754349 1063697302 /nfs/dbraw/zinc/69/73/02/1063697302.db2.gz YNLZALRZEKMDKB-UHFFFAOYSA-N 1 0 316.404 4.052 20 30 DIEDRO C=CC(C)(C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001461788103 1063718251 /nfs/dbraw/zinc/71/82/51/1063718251.db2.gz YFYACVWXWNTTMR-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(C3CCCCC3)CC2)cc1OC ZINC001461814180 1063733687 /nfs/dbraw/zinc/73/36/87/1063733687.db2.gz XYKPYGHHXVCCKW-UHFFFAOYSA-N 1 0 315.457 4.463 20 30 DIEDRO C=CCOCc1nn([C@H](CCC)CCCCC)c2c1C[NH2+]C2 ZINC001258669970 1063737033 /nfs/dbraw/zinc/73/70/33/1063737033.db2.gz VNOXGJOJJAUGOT-OAHLLOKOSA-N 1 0 305.466 4.110 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)cc(OC)c1O ZINC001461830011 1063740710 /nfs/dbraw/zinc/74/07/10/1063740710.db2.gz MDOGZUHQGONYFR-ZWKOTPCHSA-N 1 0 315.457 4.045 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@]3(CCOC3)Oc3ccccc32)C1 ZINC001461835428 1063744539 /nfs/dbraw/zinc/74/45/39/1063744539.db2.gz HYLUEGZBOSWEAT-HNAWSFBYSA-N 1 0 313.441 4.004 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001461862254 1063755427 /nfs/dbraw/zinc/75/54/27/1063755427.db2.gz CBTKHMUKBKIBRR-HSZRJFAPSA-N 1 0 315.460 4.408 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1C[C@@H](C)CC(C)(C)C1)C2 ZINC001258698606 1063758038 /nfs/dbraw/zinc/75/80/38/1063758038.db2.gz RGMCHCWSADUXPR-DOADOZAASA-N 1 0 321.505 4.027 20 30 DIEDRO CCCC[C@H](Cc1ccccc1)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001258705069 1063763372 /nfs/dbraw/zinc/76/33/72/1063763372.db2.gz CRMYJLWUIUJUOW-MRXNPFEDSA-N 1 0 315.848 4.242 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCC(C(=O)NC)CC1 ZINC001258714072 1063770394 /nfs/dbraw/zinc/77/03/94/1063770394.db2.gz HIYHYLFUXWRUAN-GOSISDBHSA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001258714373 1063770767 /nfs/dbraw/zinc/77/07/67/1063770767.db2.gz MRFDAJPRTSJSKH-PMACEKPBSA-N 1 0 324.553 4.168 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCC(C)(C(N)=O)CC1 ZINC001258714985 1063772562 /nfs/dbraw/zinc/77/25/62/1063772562.db2.gz ZPWMHUUILRCBOM-KRWDZBQOSA-N 1 0 310.526 4.349 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001258717262 1063773517 /nfs/dbraw/zinc/77/35/17/1063773517.db2.gz NTWFWTIJIRBDEC-IXDOHACOSA-N 1 0 324.509 4.214 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@]1(C)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001258717691 1063774792 /nfs/dbraw/zinc/77/47/92/1063774792.db2.gz XEMJJXRBKSYUKY-LPHOPBHVSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001258720799 1063775167 /nfs/dbraw/zinc/77/51/67/1063775167.db2.gz GEKZRIPIAKVQRA-GDBMZVCRSA-N 1 0 316.445 4.427 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC001258719316 1063775378 /nfs/dbraw/zinc/77/53/78/1063775378.db2.gz AIGJCDWRAULWGQ-ZWKOTPCHSA-N 1 0 309.453 4.255 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258723443 1063776165 /nfs/dbraw/zinc/77/61/65/1063776165.db2.gz VCCWOKIYCYJQBW-OAHLLOKOSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2cccc(Cl)c2F)CC1 ZINC001258722059 1063776758 /nfs/dbraw/zinc/77/67/58/1063776758.db2.gz BPNCAKIUWWGUBY-AWEZNQCLSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(OCC(F)(F)F)cc1 ZINC001258721017 1063776789 /nfs/dbraw/zinc/77/67/89/1063776789.db2.gz KWTJJEBDBQLCEL-ZDUSSCGKSA-N 1 0 301.352 4.115 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC001258722028 1063777051 /nfs/dbraw/zinc/77/70/51/1063777051.db2.gz ASGVZWRVSONUTR-HNNXBMFYSA-N 1 0 307.865 4.333 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(N(C(=O)CC)c2ccccc2)CC1 ZINC001258726642 1063778185 /nfs/dbraw/zinc/77/81/85/1063778185.db2.gz VOXWXWMQKQYZKW-KRWDZBQOSA-N 1 0 314.473 4.249 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(N(C(=O)CC)c2ccccc2)CC1 ZINC001258726644 1063778268 /nfs/dbraw/zinc/77/82/68/1063778268.db2.gz VOXWXWMQKQYZKW-QGZVFWFLSA-N 1 0 314.473 4.249 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258725854 1063778429 /nfs/dbraw/zinc/77/84/29/1063778429.db2.gz OCBCFWGCEFPNSJ-OAHLLOKOSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC2(CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC001258726385 1063778767 /nfs/dbraw/zinc/77/87/67/1063778767.db2.gz RZSRXIUYLVPNQX-HNNXBMFYSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC2(CCCN2C(=O)OC(C)(C)C)CC1 ZINC001258724765 1063779203 /nfs/dbraw/zinc/77/92/03/1063779203.db2.gz DRFSAAHHRCGHAI-INIZCTEOSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CC2(C1)CCCN(C(=O)OC(C)(C)C)CC2 ZINC001258732179 1063781272 /nfs/dbraw/zinc/78/12/72/1063781272.db2.gz JOCBYMUXGIYUJU-INIZCTEOSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(N(CC)C(=O)OC(C)(C)C)CC1 ZINC001258734784 1063783328 /nfs/dbraw/zinc/78/33/28/1063783328.db2.gz JEPGCLBQUWPNIZ-HNNXBMFYSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001258735585 1063784517 /nfs/dbraw/zinc/78/45/17/1063784517.db2.gz XGSHXIIRIFRHCH-GOSISDBHSA-N 1 0 300.490 4.328 20 30 DIEDRO C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001258735542 1063784979 /nfs/dbraw/zinc/78/49/79/1063784979.db2.gz VTYJRXPCOXRRQI-MRXNPFEDSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CCC[C@H](C)[N@H+]([C@H](C)c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC001258734523 1063785320 /nfs/dbraw/zinc/78/53/20/1063785320.db2.gz ZTZUZASJCHUYFG-WAOWUJCRSA-N 1 0 312.501 4.499 20 30 DIEDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2Cc2cccc(C#N)n2)cc1 ZINC001461902577 1063789125 /nfs/dbraw/zinc/78/91/25/1063789125.db2.gz MCCINVOLGCJCCP-UZLBHIALSA-N 1 0 305.425 4.235 20 30 DIEDRO C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001258745934 1063794990 /nfs/dbraw/zinc/79/49/90/1063794990.db2.gz YXRCFMZEJPUTQW-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001258745292 1063795693 /nfs/dbraw/zinc/79/56/93/1063795693.db2.gz LGRKWDAFZRETLO-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](CCC)CCCC)CC2 ZINC001258761607 1063808161 /nfs/dbraw/zinc/80/81/61/1063808161.db2.gz ODTOJZUWXCRWFP-UYAOXDASSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](CC)C[C@@H](C)CC)C2 ZINC001258795977 1063830956 /nfs/dbraw/zinc/83/09/56/1063830956.db2.gz VSBTVNSTMLQEMS-CADBVGFASA-N 1 0 309.494 4.027 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC001461950176 1063835639 /nfs/dbraw/zinc/83/56/39/1063835639.db2.gz SLVYAWLAFCHNDD-UXHICEINSA-N 1 0 314.473 4.223 20 30 DIEDRO CC[N@H+](Cc1cnn(CC2CCC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001461952856 1063835805 /nfs/dbraw/zinc/83/58/05/1063835805.db2.gz DPLAJKVOPURALU-MRXNPFEDSA-N 1 0 322.456 4.138 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC(C(C)C)CC1)C2 ZINC001258803526 1063836105 /nfs/dbraw/zinc/83/61/05/1063836105.db2.gz BTGZWQSHGQWIJH-GUMHCPJTSA-N 1 0 321.505 4.027 20 30 DIEDRO CC[C@H]1CCCC[C@H]1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC001461950174 1063835988 /nfs/dbraw/zinc/83/59/88/1063835988.db2.gz SLVYAWLAFCHNDD-PMACEKPBSA-N 1 0 314.473 4.223 20 30 DIEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC(C(C)C)CC1)C2 ZINC001258803527 1063837109 /nfs/dbraw/zinc/83/71/09/1063837109.db2.gz BTGZWQSHGQWIJH-NTFDOXNWSA-N 1 0 321.505 4.027 20 30 DIEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C(CC(C)C)CC(C)C)C2 ZINC001258834713 1063855192 /nfs/dbraw/zinc/85/51/92/1063855192.db2.gz HSWGCAZKRWSPLG-WOJBJXKFSA-N 1 0 323.521 4.273 20 30 DIEDRO CC[C@H](Cc1ccccc1)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001258838296 1063861024 /nfs/dbraw/zinc/86/10/24/1063861024.db2.gz UINBHZKVXPVENF-MRXNPFEDSA-N 1 0 320.358 4.432 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001461995286 1063865372 /nfs/dbraw/zinc/86/53/72/1063865372.db2.gz QUTAIPUWQOATHU-HDMKZQKVSA-N 1 0 317.860 4.363 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1OC)c1cccc(C#N)c1 ZINC001258884637 1063871037 /nfs/dbraw/zinc/87/10/37/1063871037.db2.gz XGKZSQLUTMFRTQ-DNVCBOLYSA-N 1 0 308.425 4.239 20 30 DIEDRO CC[NH+](CC)CCC[C@H](C)N[C@@](C)(C#N)c1ccccc1Cl ZINC001258900322 1063875115 /nfs/dbraw/zinc/87/51/15/1063875115.db2.gz JANXJZOXIMUSCP-YJBOKZPZSA-N 1 0 321.896 4.179 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000487861657 1063906626 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CC(C)[N@H+](CCOc1cccc(C#N)c1)[C@@H](C)c1ccsc1 ZINC001307855306 1065654513 /nfs/dbraw/zinc/65/45/13/1065654513.db2.gz RLBDUIHBXFPRSG-HNNXBMFYSA-N 1 0 314.454 4.470 20 30 DIEDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001307870947 1065662527 /nfs/dbraw/zinc/66/25/27/1065662527.db2.gz YQBMEIXIMFYGOS-DOTOQJQBSA-N 1 0 300.421 4.346 20 30 DIEDRO CCCCCCCC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001307886375 1065666333 /nfs/dbraw/zinc/66/63/33/1065666333.db2.gz DFTUIHGEDCTGBF-RTBURBONSA-N 1 0 300.490 4.415 20 30 DIEDRO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC001307899008 1065671998 /nfs/dbraw/zinc/67/19/98/1065671998.db2.gz DIJXYIKVAPUGML-OAHLLOKOSA-N 1 0 324.855 4.416 20 30 DIEDRO C=C(Br)C[N@H+]1CCC[C@@]1(CC)Cc1ccccc1 ZINC001307919772 1065680087 /nfs/dbraw/zinc/68/00/87/1065680087.db2.gz XEIWFMKEELSNEU-INIZCTEOSA-N 1 0 308.263 4.382 20 30 DIEDRO C=CC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC001307915809 1065680298 /nfs/dbraw/zinc/68/02/98/1065680298.db2.gz 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1065767386 /nfs/dbraw/zinc/76/73/86/1065767386.db2.gz LQIHGSRIAFAQNZ-FQEVSTJZSA-N 1 0 314.473 4.069 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC001308119736 1065769961 /nfs/dbraw/zinc/76/99/61/1065769961.db2.gz FGSXVMDICXUYSA-GHYICZDASA-N 1 0 318.420 4.115 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc(Br)cc1C#N ZINC001308133164 1065772289 /nfs/dbraw/zinc/77/22/89/1065772289.db2.gz CMPMBCPHHRAASR-UHFFFAOYSA-N 1 0 307.235 4.109 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc2c(cc1Cl)OCCO2 ZINC001308135580 1065775364 /nfs/dbraw/zinc/77/53/64/1065775364.db2.gz HSOKXQDLKMHNNG-AWEZNQCLSA-N 1 0 307.821 4.042 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)c1cc2ccccc2c(OC)c1 ZINC001308138421 1065776365 /nfs/dbraw/zinc/77/63/65/1065776365.db2.gz ZTASMIDPDBFBNC-LBPRGKRZSA-N 1 0 320.230 4.408 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)CC1 ZINC001308148256 1065779570 /nfs/dbraw/zinc/77/95/70/1065779570.db2.gz AWRSXAVBAMCSLS-CTWPCTMYSA-N 1 0 312.457 4.119 20 30 DIEDRO CCCCCCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC001308184389 1065795764 /nfs/dbraw/zinc/79/57/64/1065795764.db2.gz HHVVIDFIKNGWEH-UHFFFAOYSA-N 1 0 324.896 4.237 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1cccc(C)c1C)C(C)C ZINC001308198148 1065805902 /nfs/dbraw/zinc/80/59/02/1065805902.db2.gz UVVVPKVXPJEORI-HXUWFJFHSA-N 1 0 300.490 4.092 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC001308209969 1065817039 /nfs/dbraw/zinc/81/70/39/1065817039.db2.gz OYRITKMCUJJRTB-SJORKVTESA-N 1 0 321.468 4.195 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)cc1 ZINC001308227479 1065834649 /nfs/dbraw/zinc/83/46/49/1065834649.db2.gz GMBHSEUAULLCDA-UHFFFAOYSA-N 1 0 317.354 4.409 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC001308265972 1065865151 /nfs/dbraw/zinc/86/51/51/1065865151.db2.gz HURAGBRDPQCQHW-GDBMZVCRSA-N 1 0 308.263 4.326 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)C1 ZINC001308271911 1065869731 /nfs/dbraw/zinc/86/97/31/1065869731.db2.gz MFPKNQOKWZEYHJ-BHIYHBOVSA-N 1 0 316.464 4.437 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001308269639 1065870870 /nfs/dbraw/zinc/87/08/70/1065870870.db2.gz VGJHOZDRMJIUHW-KGLIPLIRSA-N 1 0 323.889 4.116 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1OC ZINC001308341194 1065926318 /nfs/dbraw/zinc/92/63/18/1065926318.db2.gz GCIRUNWPPXZSCW-QZTJIDSGSA-N 1 0 314.473 4.171 20 30 DIEDRO C=CCOc1cccc(CNc2cc(C)cc(C[NH+](C)C)c2)c1 ZINC001308355077 1065936340 /nfs/dbraw/zinc/93/63/40/1065936340.db2.gz BHMDSJFNUCSDLN-UHFFFAOYSA-N 1 0 310.441 4.234 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001308374571 1065948691 /nfs/dbraw/zinc/94/86/91/1065948691.db2.gz OCNYDCNLTIGLNO-BRWVUGGUSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C1 ZINC001308379084 1065952209 /nfs/dbraw/zinc/95/22/09/1065952209.db2.gz SAQXJUCWBKQAQT-RHSMWYFYSA-N 1 0 300.421 4.194 20 30 DIEDRO C=CCCCC[NH2+]Cc1c(Br)c2ccccc2n1C ZINC001308380282 1065952521 /nfs/dbraw/zinc/95/25/21/1065952521.db2.gz SNHNFJTVUPZXDE-UHFFFAOYSA-N 1 0 321.262 4.387 20 30 DIEDRO COc1cc(C[NH2+]C2(C(C)(C)c3ccccc3)CC2)ccc1C#N ZINC001308403157 1065965421 /nfs/dbraw/zinc/96/54/21/1065965421.db2.gz PBIUDVPXPVVQSH-UHFFFAOYSA-N 1 0 320.436 4.167 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC001308408871 1065968693 /nfs/dbraw/zinc/96/86/93/1065968693.db2.gz WVOPEXKKVMZQMB-NQIIRXRSSA-N 1 0 320.436 4.248 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCCCCC)cc1 ZINC001308410898 1065969066 /nfs/dbraw/zinc/96/90/66/1065969066.db2.gz RPHWEADTZAZOCY-MOPGFXCFSA-N 1 0 303.446 4.079 20 30 DIEDRO C#CC[C@H](CO)[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001308413584 1065971147 /nfs/dbraw/zinc/97/11/47/1065971147.db2.gz CIXUYIBBAUCGHQ-CQSZACIVSA-N 1 0 323.823 4.120 20 30 DIEDRO C=C(C)CC[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001308412359 1065971932 /nfs/dbraw/zinc/97/19/32/1065971932.db2.gz ZDTRRHPVIIBOIA-UHFFFAOYSA-N 1 0 317.864 4.257 20 30 DIEDRO COCC1(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCCCC1 ZINC001308424432 1065979483 /nfs/dbraw/zinc/97/94/83/1065979483.db2.gz JBVJLVGXVBXGAY-UHFFFAOYSA-N 1 0 314.473 4.174 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(OC)c(OCC(C)C)c2)c1 ZINC001308435048 1065986681 /nfs/dbraw/zinc/98/66/81/1065986681.db2.gz FNUMECVLUAVSPL-UHFFFAOYSA-N 1 0 323.436 4.001 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001308458634 1066001595 /nfs/dbraw/zinc/00/15/95/1066001595.db2.gz RJIZUPFBBKMCAD-UHFFFAOYSA-N 1 0 303.393 4.413 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1C ZINC001308461518 1066003732 /nfs/dbraw/zinc/00/37/32/1066003732.db2.gz COCKPKQZMJLUKC-RDJZCZTQSA-N 1 0 303.446 4.237 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2(c3cccc(OC)c3)CCC2)c1 ZINC001308474144 1066013772 /nfs/dbraw/zinc/01/37/72/1066013772.db2.gz BVXACYUTHRLRAE-UHFFFAOYSA-N 1 0 323.436 4.429 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001308479556 1066018873 /nfs/dbraw/zinc/01/88/73/1066018873.db2.gz LEPUJVUBTLNNEX-QBPKDAKJSA-N 1 0 322.493 4.157 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1-c1ccccc1)C2 ZINC001308498124 1066029680 /nfs/dbraw/zinc/02/96/80/1066029680.db2.gz OHHYHCRPMHUKSO-JOCHJYFZSA-N 1 0 324.427 4.482 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(F)c3ccccc13)C2 ZINC001308497751 1066029709 /nfs/dbraw/zinc/02/97/09/1066029709.db2.gz HZCXPHGDYAOSKE-SFHVURJKSA-N 1 0 316.379 4.108 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCC(C)(C)CO2)cc1Cl ZINC001308504098 1066033340 /nfs/dbraw/zinc/03/33/40/1066033340.db2.gz ZIQPGFNLCCYFIO-OAHLLOKOSA-N 1 0 323.864 4.200 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1C#N ZINC001308518031 1066041279 /nfs/dbraw/zinc/04/12/79/1066041279.db2.gz XFLKDQJFVJEWFZ-UHFFFAOYSA-N 1 0 305.208 4.463 20 30 DIEDRO CC(C)c1cnc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)s1 ZINC001308530277 1066047974 /nfs/dbraw/zinc/04/79/74/1066047974.db2.gz UTDJZSAOIDJUQX-UHFFFAOYSA-N 1 0 313.470 4.249 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001308528989 1066048549 /nfs/dbraw/zinc/04/85/49/1066048549.db2.gz FZXSENSQKZHRFR-UHFFFAOYSA-N 1 0 316.807 4.462 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCS[C@@H](C)C2)cc1Cl ZINC001308540279 1066057874 /nfs/dbraw/zinc/05/78/74/1066057874.db2.gz RFEIXUSCYUMQET-JSGCOSHPSA-N 1 0 311.878 4.279 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)c1 ZINC001308555004 1066065865 /nfs/dbraw/zinc/06/58/65/1066065865.db2.gz SROIAQYIAXDKOS-QUCCMNQESA-N 1 0 312.457 4.285 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)c1 ZINC001308555003 1066066105 /nfs/dbraw/zinc/06/61/05/1066066105.db2.gz SROIAQYIAXDKOS-ICSRJNTNSA-N 1 0 312.457 4.285 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC001308564034 1066072018 /nfs/dbraw/zinc/07/20/18/1066072018.db2.gz GPNVGQHZYLEUGB-FQEVSTJZSA-N 1 0 322.452 4.328 20 30 DIEDRO CCC[N@H+](Cc1cccc(F)c1C#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001308568881 1066077934 /nfs/dbraw/zinc/07/79/34/1066077934.db2.gz FSNXOMWXNQTASU-QZTJIDSGSA-N 1 0 318.436 4.113 20 30 DIEDRO COc1cc(F)cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC001308570070 1066080739 /nfs/dbraw/zinc/08/07/39/1066080739.db2.gz CQPDBPUUXAREER-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001308570044 1066082083 /nfs/dbraw/zinc/08/20/83/1066082083.db2.gz LAWONJRNBMUZGT-RBUKOAKNSA-N 1 0 314.473 4.282 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001308570039 1066082441 /nfs/dbraw/zinc/08/24/41/1066082441.db2.gz LAWONJRNBMUZGT-MOPGFXCFSA-N 1 0 314.473 4.282 20 30 DIEDRO C#CC[N@@H+](CCCc1ccc(F)c(F)c1)Cc1ccc(F)cc1 ZINC001308590041 1066103704 /nfs/dbraw/zinc/10/37/04/1066103704.db2.gz NCUSTUXBNLZOFY-UHFFFAOYSA-N 1 0 317.354 4.172 20 30 DIEDRO CC[N@H+](Cc1ccc(C)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC001308619472 1066122033 /nfs/dbraw/zinc/12/20/33/1066122033.db2.gz NPEGQFANRYGSFO-MRXNPFEDSA-N 1 0 308.425 4.458 20 30 DIEDRO CC#CCC[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC001308656872 1066141166 /nfs/dbraw/zinc/14/11/66/1066141166.db2.gz PWULQQAWELIVOD-UHFFFAOYSA-N 1 0 313.391 4.122 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001308666405 1066146065 /nfs/dbraw/zinc/14/60/65/1066146065.db2.gz OEYBLPAQLVLJOJ-ZFWWWQNUSA-N 1 0 310.363 4.435 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC001308692853 1066183939 /nfs/dbraw/zinc/18/39/39/1066183939.db2.gz PEDSAFKILYOMEN-AEFFLSMTSA-N 1 0 306.494 4.035 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1F ZINC001308698916 1066187719 /nfs/dbraw/zinc/18/77/19/1066187719.db2.gz XVVZBPBABANYLU-OAHLLOKOSA-N 1 0 322.305 4.133 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC001308702890 1066188878 /nfs/dbraw/zinc/18/88/78/1066188878.db2.gz DCEYXXOWQWHGAO-GFCCVEGCSA-N 1 0 314.242 4.465 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC001308718372 1066197494 /nfs/dbraw/zinc/19/74/94/1066197494.db2.gz UNGYRLINDONACZ-CYBMUJFWSA-N 1 0 316.367 4.247 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001308723821 1066201435 /nfs/dbraw/zinc/20/14/35/1066201435.db2.gz HYWNAAYIBQRFBO-WFASDCNBSA-N 1 0 308.347 4.023 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)cc1F ZINC001308736923 1066210913 /nfs/dbraw/zinc/21/09/13/1066210913.db2.gz AYMRYFPLYLDWEH-YJBOKZPZSA-N 1 0 312.363 4.262 20 30 DIEDRO N#Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cs1 ZINC001308750997 1066225631 /nfs/dbraw/zinc/22/56/31/1066225631.db2.gz MAGCJOPMJPXEEZ-QRVBRYPASA-N 1 0 308.450 4.388 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)C(C)C ZINC001308751629 1066225676 /nfs/dbraw/zinc/22/56/76/1066225676.db2.gz VXRNTJAAGWZPLC-HXUWFJFHSA-N 1 0 321.468 4.413 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](CC)Cc2ccc(C)cc2)cc1 ZINC001308778884 1066251589 /nfs/dbraw/zinc/25/15/89/1066251589.db2.gz ZDVROYSVZRYAPX-HXUWFJFHSA-N 1 0 307.437 4.118 20 30 DIEDRO C#C[C@H]([NH2+]CCCCCOc1ccccc1)c1ccc(F)cc1 ZINC001308787933 1066261339 /nfs/dbraw/zinc/26/13/39/1066261339.db2.gz ZNODDQHAWJRSDZ-FQEVSTJZSA-N 1 0 311.400 4.339 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 ZINC001308795710 1066271975 /nfs/dbraw/zinc/27/19/75/1066271975.db2.gz KPJKITWKXQSZAM-QZTJIDSGSA-N 1 0 316.231 4.425 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001308800202 1066276060 /nfs/dbraw/zinc/27/60/60/1066276060.db2.gz HERABNWEWUEFJU-BJLQDIEVSA-N 1 0 300.490 4.374 20 30 DIEDRO CC(C)Cc1ccc([C@H](C[NH2+]C[C@H](C)CCC#N)N(C)C)cc1 ZINC001308800187 1066276144 /nfs/dbraw/zinc/27/61/44/1066276144.db2.gz GJVYYZNOPGZKMR-XLIONFOSSA-N 1 0 315.505 4.017 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+]CC1(c2ccccc2F)CCC1 ZINC001308849223 1066325738 /nfs/dbraw/zinc/32/57/38/1066325738.db2.gz VNNDHTQSIHJMEH-UHFFFAOYSA-N 1 0 312.363 4.048 20 30 DIEDRO C[C@H](CC1CCCCC1)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001308851417 1066331743 /nfs/dbraw/zinc/33/17/43/1066331743.db2.gz KTXFZEVTUNMEKA-UZLBHIALSA-N 1 0 314.473 4.130 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001308854276 1066332878 /nfs/dbraw/zinc/33/28/78/1066332878.db2.gz DOURAAIOUHSZLH-INIZCTEOSA-N 1 0 324.509 4.310 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001308854389 1066334024 /nfs/dbraw/zinc/33/40/24/1066334024.db2.gz MYYPBJKNPKSEDC-GOSISDBHSA-N 1 0 311.473 4.026 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC001308856491 1066336196 /nfs/dbraw/zinc/33/61/96/1066336196.db2.gz XKZJYEVUNDUJQK-QGZVFWFLSA-N 1 0 309.457 4.358 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001308876066 1066354988 /nfs/dbraw/zinc/35/49/88/1066354988.db2.gz IBXAYDWXCOTUNT-CVEARBPZSA-N 1 0 324.509 4.214 20 30 DIEDRO C=CC[C@H]1CC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC001308880353 1066359531 /nfs/dbraw/zinc/35/95/31/1066359531.db2.gz KSOJCOZKWBVIKP-AWEZNQCLSA-N 1 0 300.427 4.224 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC001308893316 1066374319 /nfs/dbraw/zinc/37/43/19/1066374319.db2.gz VURYJVPGDLEZPA-GCOQZVFPSA-N 1 0 306.247 4.032 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC001308895151 1066375493 /nfs/dbraw/zinc/37/54/93/1066375493.db2.gz NAGQGDSNXYWEKO-ICSRJNTNSA-N 1 0 314.517 4.479 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001308894537 1066376116 /nfs/dbraw/zinc/37/61/16/1066376116.db2.gz HGSCGGDIXPOOMZ-UHFFFAOYSA-N 1 0 324.472 4.227 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001308901532 1066380630 /nfs/dbraw/zinc/38/06/30/1066380630.db2.gz ZCRMBILKDIGOAE-HOTGVXAUSA-N 1 0 315.379 4.463 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CCc1cn(C)c2ncccc12 ZINC001308906537 1066384710 /nfs/dbraw/zinc/38/47/10/1066384710.db2.gz DRNTYOABBXQBDV-INIZCTEOSA-N 1 0 301.478 4.454 20 30 DIEDRO C#CCCCCCC[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC001308906012 1066386063 /nfs/dbraw/zinc/38/60/63/1066386063.db2.gz MURBRRQSMDVNDT-NRFANRHFSA-N 1 0 312.501 4.214 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001308919171 1066395911 /nfs/dbraw/zinc/39/59/11/1066395911.db2.gz PKHQFNZQVKXLPJ-CJNGLKHVSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CCC[C@@H](CC)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001308918441 1066396016 /nfs/dbraw/zinc/39/60/16/1066396016.db2.gz LXFLHSYWPJTLOZ-XLIONFOSSA-N 1 0 313.489 4.128 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001308932545 1066406715 /nfs/dbraw/zinc/40/67/15/1066406715.db2.gz YCSIWFJDGXOEAH-HOTGVXAUSA-N 1 0 310.482 4.110 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(Cl)c(Cl)c2)cc1F ZINC001308937545 1066407985 /nfs/dbraw/zinc/40/79/85/1066407985.db2.gz ZCCKFHZHOWAOHE-UHFFFAOYSA-N 1 0 323.198 4.336 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cccn3C3CC3)CC2)cc1 ZINC001308958347 1066420438 /nfs/dbraw/zinc/42/04/38/1066420438.db2.gz HXAGSYPQDXSYKC-UHFFFAOYSA-N 1 0 305.425 4.074 20 30 DIEDRO CCCOc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)c(C)c1 ZINC001308958133 1066420459 /nfs/dbraw/zinc/42/04/59/1066420459.db2.gz JJAAVGFAYGAMCG-UHFFFAOYSA-N 1 0 314.454 4.349 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C2CCC2)cc1 ZINC001308965157 1066423591 /nfs/dbraw/zinc/42/35/91/1066423591.db2.gz LGYAKFDFZRDJMW-KBXCAEBGSA-N 1 0 300.446 4.454 20 30 DIEDRO CCCCCCCCCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001311552839 1066660512 /nfs/dbraw/zinc/66/05/12/1066660512.db2.gz YETGWPWGYOYOKL-ZWKOTPCHSA-N 1 0 323.525 4.005 20 30 DIEDRO CC(C)OC1CC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000428101352 334933372 /nfs/dbraw/zinc/93/33/72/334933372.db2.gz SEXPBEXLPZCDPV-UHFFFAOYSA-N 1 0 320.436 4.271 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000280922942 334967378 /nfs/dbraw/zinc/96/73/78/334967378.db2.gz UFUVZWFFBXBTFD-MXYBEHONSA-N 1 0 309.500 4.244 20 30 DIEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072776345 191226907 /nfs/dbraw/zinc/22/69/07/191226907.db2.gz IMVMIFBSYJFPHF-PBHICJAKSA-N 1 0 324.428 4.009 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000281500462 334984629 /nfs/dbraw/zinc/98/46/29/334984629.db2.gz WRJURLLBPSPZME-AWEZNQCLSA-N 1 0 302.443 4.166 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3c1cccc3Cl)CC2 ZINC000563783398 335007138 /nfs/dbraw/zinc/00/71/38/335007138.db2.gz WVAWRQOSKLJQNK-RTBURBONSA-N 1 0 308.812 4.476 20 30 DIEDRO CSc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000563785957 335012561 /nfs/dbraw/zinc/01/25/61/335012561.db2.gz KLBYYUAVBPPAOD-UHFFFAOYSA-N 1 0 300.452 4.121 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cnc(OC)c(Cl)c1)c1ccccc1 ZINC000284467666 335012764 /nfs/dbraw/zinc/01/27/64/335012764.db2.gz UFDJBQONLUDPEV-CXAGYDPISA-N 1 0 314.816 4.159 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1ccco1 ZINC000285687672 335024272 /nfs/dbraw/zinc/02/42/72/335024272.db2.gz OFAGSLSQLUAKGF-INIZCTEOSA-N 1 0 300.402 4.259 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccco1 ZINC000285526592 335026735 /nfs/dbraw/zinc/02/67/35/335026735.db2.gz FFNQXKIEJBSYHT-IBGZPJMESA-N 1 0 321.424 4.322 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@@H](O)c1cccs1)c1ccco1 ZINC000286208009 335030565 /nfs/dbraw/zinc/03/05/65/335030565.db2.gz RXSIJZAFOMICPW-QLFBSQMISA-N 1 0 305.443 4.450 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000286029091 335031767 /nfs/dbraw/zinc/03/17/67/335031767.db2.gz JDCTXYZDLQXORS-APWZRJJASA-N 1 0 323.436 4.427 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000135711827 335038315 /nfs/dbraw/zinc/03/83/15/335038315.db2.gz NTNMKBYLQQZKKZ-NEPJUHHUSA-N 1 0 312.251 4.463 20 30 DIEDRO COc1ccc2oc([C@@H](C)[NH2+]Cc3cccc(C#N)c3)c(C)c2c1 ZINC000106472438 194218511 /nfs/dbraw/zinc/21/85/11/194218511.db2.gz XNEYVRXIOAMWLJ-CQSZACIVSA-N 1 0 320.392 4.472 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272317817 130020908 /nfs/dbraw/zinc/02/09/08/130020908.db2.gz VIRAKMGPMMHHQH-HNNXBMFYSA-N 1 0 306.409 4.215 20 30 DIEDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)cc1C#N ZINC000340197106 131134375 /nfs/dbraw/zinc/13/43/75/131134375.db2.gz ZTSBHUFEMKIGMG-PBHICJAKSA-N 1 0 310.397 4.133 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000340500167 131896048 /nfs/dbraw/zinc/89/60/48/131896048.db2.gz NMYBEYBMUDLKOO-NRSPTQNISA-N 1 0 302.421 4.329 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000340500169 131896114 /nfs/dbraw/zinc/89/61/14/131896114.db2.gz NMYBEYBMUDLKOO-TYPHKJRUSA-N 1 0 302.421 4.329 20 30 DIEDRO N#CC1(CC[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CCCCC1 ZINC000425551398 335082220 /nfs/dbraw/zinc/08/22/20/335082220.db2.gz JKFJYNWUSSFZCJ-SFHVURJKSA-N 1 0 316.489 4.132 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000116927047 331468362 /nfs/dbraw/zinc/46/83/62/331468362.db2.gz RDPUMUQGCREDAO-CQSZACIVSA-N 1 0 302.443 4.085 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000186709124 331469275 /nfs/dbraw/zinc/46/92/75/331469275.db2.gz SMRQUKODKSGVDF-XJKSGUPXSA-N 1 0 316.470 4.015 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000556502706 331708906 /nfs/dbraw/zinc/70/89/06/331708906.db2.gz GSANERZSVKQGNZ-UHFFFAOYSA-N 1 0 316.326 4.356 20 30 DIEDRO C[C@@H](CC[NH2+]C1(c2cccc(C#N)c2)CC1)OCc1ccccc1 ZINC000556505304 331709143 /nfs/dbraw/zinc/70/91/43/331709143.db2.gz HSCUOBSJAFYCOA-KRWDZBQOSA-N 1 0 320.436 4.132 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000557276092 331780483 /nfs/dbraw/zinc/78/04/83/331780483.db2.gz LHMGOLUAGUYWLT-SFHVURJKSA-N 1 0 315.457 4.395 20 30 DIEDRO COc1cccc2cc([C@@H](C)[NH2+]CC(C)(C)CCC#N)oc21 ZINC000558244792 331887323 /nfs/dbraw/zinc/88/73/23/331887323.db2.gz DGWRENQDVHWWLF-CYBMUJFWSA-N 1 0 300.402 4.422 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000559186464 331986161 /nfs/dbraw/zinc/98/61/61/331986161.db2.gz QAZFUZKSDHWHLF-HOTGVXAUSA-N 1 0 313.363 4.134 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000559244280 332001476 /nfs/dbraw/zinc/00/14/76/332001476.db2.gz UUUQWYZXUZBGIT-HOTGVXAUSA-N 1 0 313.363 4.134 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000518467329 332057463 /nfs/dbraw/zinc/05/74/63/332057463.db2.gz ZTEYGSOWEVNHLU-AWEZNQCLSA-N 1 0 305.381 4.283 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1Cc2ccccc2C1 ZINC000569399257 332074770 /nfs/dbraw/zinc/07/47/70/332074770.db2.gz LIECUYUPAVOIJF-VXKWHMMOSA-N 1 0 316.448 4.173 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000090664794 332092055 /nfs/dbraw/zinc/09/20/55/332092055.db2.gz PXBJLJVUWZDOLT-APWZRJJASA-N 1 0 307.441 4.448 20 30 DIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000090665195 332092211 /nfs/dbraw/zinc/09/22/11/332092211.db2.gz LFTXHJZGEPWUFP-MGPUTAFESA-N 1 0 321.424 4.341 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665808 332092367 /nfs/dbraw/zinc/09/23/67/332092367.db2.gz KBTVDVXDHOFSCM-DYESRHJHSA-N 1 0 318.420 4.394 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000090665843 332092522 /nfs/dbraw/zinc/09/25/22/332092522.db2.gz GJKHDKQHUPZLQO-KSSFIOAISA-N 1 0 309.369 4.290 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000518625574 332100459 /nfs/dbraw/zinc/10/04/59/332100459.db2.gz HOZYRXRNQUCBOD-ZTQAJYAQSA-N 1 0 324.399 4.268 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2nc3c(cccc3C)o2)c1 ZINC000410319526 332111656 /nfs/dbraw/zinc/11/16/56/332111656.db2.gz WLEHDACBAAVVEH-UHFFFAOYSA-N 1 0 322.408 4.033 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000569509187 332112570 /nfs/dbraw/zinc/11/25/70/332112570.db2.gz YJEQISYKSFAOLL-CVEARBPZSA-N 1 0 308.425 4.043 20 30 DIEDRO C=CCCc1ccccc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000410375107 332119462 /nfs/dbraw/zinc/11/94/62/332119462.db2.gz WLFQCKUDRRCCGI-INIZCTEOSA-N 1 0 300.446 4.008 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000092223620 332122349 /nfs/dbraw/zinc/12/23/49/332122349.db2.gz STEFTHJAWGRDPH-UHFFFAOYSA-N 1 0 300.446 4.107 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000410414770 332124927 /nfs/dbraw/zinc/12/49/27/332124927.db2.gz BPTYREQFSKNQRW-GOSISDBHSA-N 1 0 318.436 4.213 20 30 DIEDRO COc1c2ccccc2oc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000569533881 332127755 /nfs/dbraw/zinc/12/77/55/332127755.db2.gz DWWGFPYCPAYRFA-QGZVFWFLSA-N 1 0 318.376 4.090 20 30 DIEDRO C[C@H](CC#N)N(C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000093090370 332133773 /nfs/dbraw/zinc/13/37/73/332133773.db2.gz SGNKNKSKRZYDNK-GFCCVEGCSA-N 1 0 311.410 4.290 20 30 DIEDRO CC(C)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000569569062 332141224 /nfs/dbraw/zinc/14/12/24/332141224.db2.gz VDTKGZPZZNMNLW-CJNGLKHVSA-N 1 0 323.362 4.436 20 30 DIEDRO CC(C)[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000569569065 332141285 /nfs/dbraw/zinc/14/12/85/332141285.db2.gz VDTKGZPZZNMNLW-XJKSGUPXSA-N 1 0 323.362 4.436 20 30 DIEDRO C=C(C)CN(C)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000181291364 332189639 /nfs/dbraw/zinc/18/96/39/332189639.db2.gz XXQRXHAGQGDPSX-UHFFFAOYSA-N 1 0 321.218 4.112 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181319694 332191187 /nfs/dbraw/zinc/19/11/87/332191187.db2.gz GGGUUADFZIZDSO-LSDHHAIUSA-N 1 0 302.418 4.039 20 30 DIEDRO COc1ccc2[nH]cc(C3CC[NH+](CCCCC#N)CC3)c2c1 ZINC000102397993 332225464 /nfs/dbraw/zinc/22/54/64/332225464.db2.gz IKCGHMSGUAZUHC-UHFFFAOYSA-N 1 0 311.429 4.050 20 30 DIEDRO C=CCCC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000448032678 332269622 /nfs/dbraw/zinc/26/96/22/332269622.db2.gz XFOVGBGOTNRXCJ-NVXWUHKLSA-N 1 0 321.436 4.390 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449484283 332282979 /nfs/dbraw/zinc/28/29/79/332282979.db2.gz FYLYWGWWQSUAAD-UHFFFAOYSA-N 1 0 317.414 4.020 20 30 DIEDRO COc1cc(CC[NH2+][C@H](C)c2cccc(C#N)c2)ccc1Cl ZINC000559916299 332292751 /nfs/dbraw/zinc/29/27/51/332292751.db2.gz JLWMMSPCIUPRJT-CYBMUJFWSA-N 1 0 314.816 4.114 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000560277409 332326667 /nfs/dbraw/zinc/32/66/67/332326667.db2.gz ZYOFYEASVMEXAR-UHFFFAOYSA-N 1 0 313.363 4.416 20 30 DIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000114472577 332327674 /nfs/dbraw/zinc/32/76/74/332327674.db2.gz KWTAZQYAFVIXCC-MRXNPFEDSA-N 1 0 310.445 4.100 20 30 DIEDRO CCC(C)(CC)[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000116359533 332338534 /nfs/dbraw/zinc/33/85/34/332338534.db2.gz YAFPJQZCDPSFEQ-UHFFFAOYSA-N 1 0 304.434 4.046 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cccs1 ZINC000237333974 332343276 /nfs/dbraw/zinc/34/32/76/332343276.db2.gz GLXLJZLJNUCQCO-CQSZACIVSA-N 1 0 300.427 4.281 20 30 DIEDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)cc1 ZINC000560541348 332355332 /nfs/dbraw/zinc/35/53/32/332355332.db2.gz JACDUEVKKHSOGZ-HXUWFJFHSA-N 1 0 320.436 4.022 20 30 DIEDRO CCCC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCC1 ZINC000560545437 332356646 /nfs/dbraw/zinc/35/66/46/332356646.db2.gz MULWCVHDMXXGRR-UHFFFAOYSA-N 1 0 311.473 4.087 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCCSCC#N ZINC000121023932 332391244 /nfs/dbraw/zinc/39/12/44/332391244.db2.gz JLDMKYZLJPLKIC-CYBMUJFWSA-N 1 0 311.520 4.215 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000237825718 332392869 /nfs/dbraw/zinc/39/28/69/332392869.db2.gz OKVRRGKKTVWEQJ-HXUWFJFHSA-N 1 0 306.409 4.146 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000560902592 332393484 /nfs/dbraw/zinc/39/34/84/332393484.db2.gz XTZPNNVFRDDIRR-LLVKDONJSA-N 1 0 305.365 4.155 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@H](C)c3cccc(C#N)c3)c[nH]c2c1 ZINC000561455714 332452388 /nfs/dbraw/zinc/45/23/88/332452388.db2.gz QXXCIXJIFZWOES-OAHLLOKOSA-N 1 0 303.409 4.241 20 30 DIEDRO C=C(C)CC[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000561850996 332506189 /nfs/dbraw/zinc/50/61/89/332506189.db2.gz HLFDQUNDZWSRQC-HXUWFJFHSA-N 1 0 311.425 4.349 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000130584517 332541739 /nfs/dbraw/zinc/54/17/39/332541739.db2.gz JFKUTVUCLJKIOH-QGZVFWFLSA-N 1 0 316.351 4.423 20 30 DIEDRO C[C@H]([NH2+]C1CC(C(F)(F)F)C1)c1ccc(C#N)cc1Cl ZINC000562086515 332545578 /nfs/dbraw/zinc/54/55/78/332545578.db2.gz IEWKLBUJTVMUFE-PUSIOWJLSA-N 1 0 302.727 4.203 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1F ZINC000151377496 332574340 /nfs/dbraw/zinc/57/43/40/332574340.db2.gz LACJEYRXJGGARO-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151393743 332576040 /nfs/dbraw/zinc/57/60/40/332576040.db2.gz DPJNQXPOUARFOA-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cscn1 ZINC000565246457 332691301 /nfs/dbraw/zinc/69/13/01/332691301.db2.gz NLZABCMQMYWZBA-MXWWQKGMSA-N 1 0 311.454 4.198 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(OCC#N)cc1 ZINC000181601670 333031349 /nfs/dbraw/zinc/03/13/49/333031349.db2.gz YSJVKPKSZXNUES-GFCCVEGCSA-N 1 0 320.845 4.197 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000171054737 333044573 /nfs/dbraw/zinc/04/45/73/333044573.db2.gz GIIAIENOJPFIDH-UHFFFAOYSA-N 1 0 306.409 4.001 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000378889601 333060551 /nfs/dbraw/zinc/06/05/51/333060551.db2.gz KJEQEJPCVBEVJU-AWEZNQCLSA-N 1 0 312.369 4.010 20 30 DIEDRO Cc1ccccc1C[C@H]([NH2+]CCc1cccc(C#N)c1)C1CC1 ZINC000580295732 333070239 /nfs/dbraw/zinc/07/02/39/333070239.db2.gz GBKUKRUBHYUXJN-NRFANRHFSA-N 1 0 304.437 4.020 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000174295693 333084407 /nfs/dbraw/zinc/08/44/07/333084407.db2.gz VUOITSJCIZBWAV-UHFFFAOYSA-N 1 0 314.351 4.047 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000174276186 333084428 /nfs/dbraw/zinc/08/44/28/333084428.db2.gz FFYMKCSNTAFTAE-UHFFFAOYSA-N 1 0 314.351 4.047 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000462754153 333108963 /nfs/dbraw/zinc/10/89/63/333108963.db2.gz HDRSOYQZUSRWCH-MOPGFXCFSA-N 1 0 315.457 4.079 20 30 DIEDRO N#CCSCCCS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000516650523 333109441 /nfs/dbraw/zinc/10/94/41/333109441.db2.gz OXFKFRZBIMJNNJ-KRWDZBQOSA-N 1 0 320.527 4.031 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000516755354 333123949 /nfs/dbraw/zinc/12/39/49/333123949.db2.gz ZURXOMLFKFHCQO-INIZCTEOSA-N 1 0 312.457 4.433 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)c1cccc(OCc2ccccn2)c1 ZINC000179691818 333154552 /nfs/dbraw/zinc/15/45/52/333154552.db2.gz RUEUCSIJOUPIPG-MRXNPFEDSA-N 1 0 309.413 4.005 20 30 DIEDRO COc1cccc(C2CC[NH+](CC(C)(C)CCC#N)CC2)c1 ZINC000179801466 333155487 /nfs/dbraw/zinc/15/54/87/333155487.db2.gz QMJJJWHXUSXYJK-UHFFFAOYSA-N 1 0 300.446 4.205 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180065381 333158236 /nfs/dbraw/zinc/15/82/36/333158236.db2.gz YMCBSJKIKAZNFU-WBMJQRKESA-N 1 0 321.346 4.190 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(Br)o1 ZINC000188074805 333158816 /nfs/dbraw/zinc/15/88/16/333158816.db2.gz KGBKGFCXXJXWQW-NSHDSACASA-N 1 0 319.202 4.107 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000180542557 333162884 /nfs/dbraw/zinc/16/28/84/333162884.db2.gz KFPFLLPEEYTQMZ-DJJJIMSYSA-N 1 0 310.372 4.066 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000180554422 333163116 /nfs/dbraw/zinc/16/31/16/333163116.db2.gz GCTTZYAUBPRYFV-FQEVSTJZSA-N 1 0 324.424 4.229 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000180554444 333163252 /nfs/dbraw/zinc/16/32/52/333163252.db2.gz GCTTZYAUBPRYFV-HXUWFJFHSA-N 1 0 324.424 4.229 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000180728309 333164647 /nfs/dbraw/zinc/16/46/47/333164647.db2.gz AUBHMRKJJLDTNR-UHFFFAOYSA-N 1 0 305.425 4.047 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181190996 333168024 /nfs/dbraw/zinc/16/80/24/333168024.db2.gz QYUUCRWRPUWLSF-WMZOPIPTSA-N 1 0 300.446 4.074 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+]Cc1cccc(C#N)c1 ZINC000518779432 333168982 /nfs/dbraw/zinc/16/89/82/333168982.db2.gz QNEFLMQLXMMZHG-UHFFFAOYSA-N 1 0 314.816 4.079 20 30 DIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCCSCC#N ZINC000181717330 333171659 /nfs/dbraw/zinc/17/16/59/333171659.db2.gz VNKWMYCYXULKNW-MRXNPFEDSA-N 1 0 306.475 4.019 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Cc1cccs1 ZINC000181816947 333172623 /nfs/dbraw/zinc/17/26/23/333172623.db2.gz WTPKJOAHNSDLMQ-HUUCEWRRSA-N 1 0 314.454 4.180 20 30 DIEDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181855205 333172793 /nfs/dbraw/zinc/17/27/93/333172793.db2.gz FWTABFZXSBWDJF-ZVZYQTTQSA-N 1 0 318.486 4.304 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(OCC#N)cc1 ZINC000182099570 333175764 /nfs/dbraw/zinc/17/57/64/333175764.db2.gz PGOQFJUDWVMVOU-CHWSQXEVSA-N 1 0 316.351 4.279 20 30 DIEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000182161689 333176514 /nfs/dbraw/zinc/17/65/14/333176514.db2.gz ZICUBORQOMLTQR-QRWLVFNGSA-N 1 0 321.424 4.341 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(OCC#N)cc1 ZINC000182221445 333176741 /nfs/dbraw/zinc/17/67/41/333176741.db2.gz VHWPLOVRYJYCHB-AWEZNQCLSA-N 1 0 310.372 4.068 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1ccccc1C(C)(C)C#N)c1nccs1 ZINC000183971095 333190500 /nfs/dbraw/zinc/19/05/00/333190500.db2.gz SOEHJABZPFRUOL-CQSZACIVSA-N 1 0 313.470 4.180 20 30 DIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCC#N ZINC000184087833 333191892 /nfs/dbraw/zinc/19/18/92/333191892.db2.gz JTOPOVGMFFNMLV-NSHDSACASA-N 1 0 303.406 4.212 20 30 DIEDRO CCCCOc1ccccc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000185249389 333206176 /nfs/dbraw/zinc/20/61/76/333206176.db2.gz IWBVLSUSZXGBQI-UHFFFAOYSA-N 1 0 324.424 4.058 20 30 DIEDRO CC(C)(CCC#N)CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185646473 333211307 /nfs/dbraw/zinc/21/13/07/333211307.db2.gz MEIZSDCYMMNQRZ-INIZCTEOSA-N 1 0 306.837 4.043 20 30 DIEDRO CC(C)(CCC#N)CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185646491 333211437 /nfs/dbraw/zinc/21/14/37/333211437.db2.gz MEIZSDCYMMNQRZ-MRXNPFEDSA-N 1 0 306.837 4.043 20 30 DIEDRO C[C@@H](CC1CC1)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000497231092 333225506 /nfs/dbraw/zinc/22/55/06/333225506.db2.gz QXBQLYMQFBSZKQ-INIZCTEOSA-N 1 0 320.436 4.415 20 30 DIEDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCOc1ccccc1C#N ZINC000497584581 333265883 /nfs/dbraw/zinc/26/58/83/333265883.db2.gz HPSZJEYMYTZXLP-HNNXBMFYSA-N 1 0 320.392 4.376 20 30 DIEDRO CC[N@H+](CCOc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594087 333267480 /nfs/dbraw/zinc/26/74/80/333267480.db2.gz PNIGQHXGEVJVAH-INIZCTEOSA-N 1 0 324.424 4.029 20 30 DIEDRO CC[N@H+](CCc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617464 333270286 /nfs/dbraw/zinc/27/02/86/333270286.db2.gz DRPVFRDCSLVHKC-INIZCTEOSA-N 1 0 308.425 4.192 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000193294564 333301198 /nfs/dbraw/zinc/30/11/98/333301198.db2.gz CMOFRARCYKZFNR-DQLDELGASA-N 1 0 320.436 4.059 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000111398407 333329391 /nfs/dbraw/zinc/32/93/91/333329391.db2.gz IXSYSHPQDXLTIC-PZJWPPBQSA-N 1 0 320.436 4.262 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccccc1 ZINC000538307503 333337905 /nfs/dbraw/zinc/33/79/05/333337905.db2.gz AQPCUVXGTXUPIV-UHFFFAOYSA-N 1 0 323.465 4.337 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)Cc2ccncc2)cc1Cl ZINC000531391348 333348991 /nfs/dbraw/zinc/34/89/91/333348991.db2.gz KDAAXZWNJBCXOQ-AWEZNQCLSA-N 1 0 316.832 4.021 20 30 DIEDRO COc1ccc(C[NH2+]CC2(C)CCCC2)cc1OCCCC#N ZINC000066594359 335135372 /nfs/dbraw/zinc/13/53/72/335135372.db2.gz JQUZFISHPNBHBG-UHFFFAOYSA-N 1 0 316.445 4.048 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000295546125 335135730 /nfs/dbraw/zinc/13/57/30/335135730.db2.gz XYKXKQIJGOGGRX-WMLDXEAASA-N 1 0 307.384 4.273 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1Cl ZINC000463286157 333370110 /nfs/dbraw/zinc/37/01/10/333370110.db2.gz AVMVCUSYUZUGRO-TZMCWYRMSA-N 1 0 308.828 4.429 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1ccco1 ZINC000295845904 335140102 /nfs/dbraw/zinc/14/01/02/335140102.db2.gz AUFVQLKUODGJMT-CQSZACIVSA-N 1 0 306.793 4.134 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(Cl)c1 ZINC000337172573 333440918 /nfs/dbraw/zinc/44/09/18/333440918.db2.gz FNRWZUBJXUKZCJ-AWEZNQCLSA-N 1 0 306.837 4.091 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187422348 333488540 /nfs/dbraw/zinc/48/85/40/333488540.db2.gz ZEPZSQUCEKTOFL-QWRGUYRKSA-N 1 0 315.230 4.379 20 30 DIEDRO CCC[C@H]([NH2+]CCOCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000339067780 333507940 /nfs/dbraw/zinc/50/79/40/333507940.db2.gz IBFUFRZRJGGKDL-HNNXBMFYSA-N 1 0 315.244 4.354 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]CCOCCC#N)c1ccc(Cl)cc1 ZINC000339069331 333508037 /nfs/dbraw/zinc/50/80/37/333508037.db2.gz BNRQZXYYVUMHDX-MRXNPFEDSA-N 1 0 308.853 4.337 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1OC(F)F ZINC000391464810 333515113 /nfs/dbraw/zinc/51/51/13/333515113.db2.gz CFNSELJWTTVNTK-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000467418607 333600835 /nfs/dbraw/zinc/60/08/35/333600835.db2.gz NYFJFRBZYPMHRJ-IUODEOHRSA-N 1 0 318.852 4.234 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000343346831 335150152 /nfs/dbraw/zinc/15/01/52/335150152.db2.gz IKRJYDIXNLGSGT-UHFFFAOYSA-N 1 0 323.440 4.080 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411366819 333659534 /nfs/dbraw/zinc/65/95/34/333659534.db2.gz QFBKWBUACQJCKT-QRVBRYPASA-N 1 0 317.521 4.188 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC[C@@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000411485793 333680050 /nfs/dbraw/zinc/68/00/50/333680050.db2.gz RLWVPAOKQYALER-IUODEOHRSA-N 1 0 301.352 4.073 20 30 DIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000411493130 333681006 /nfs/dbraw/zinc/68/10/06/333681006.db2.gz RTEWPEBXSOTWAE-CQSZACIVSA-N 1 0 301.390 4.110 20 30 DIEDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000411510143 333685938 /nfs/dbraw/zinc/68/59/38/333685938.db2.gz XPOQJPZBQYWEQC-INIZCTEOSA-N 1 0 320.436 4.181 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000186068878 335158795 /nfs/dbraw/zinc/15/87/95/335158795.db2.gz UKICJJJMTNHOSW-INIZCTEOSA-N 1 0 300.446 4.132 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000521444291 333777277 /nfs/dbraw/zinc/77/72/77/333777277.db2.gz VQDZXPWGMQDDIU-UHFFFAOYSA-N 1 0 322.374 4.323 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1C(F)(F)F)CC2 ZINC000571445212 333789470 /nfs/dbraw/zinc/78/94/70/333789470.db2.gz RHGPJDPVHSSKCD-OAGGEKHMSA-N 1 0 308.347 4.256 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000571484935 333793654 /nfs/dbraw/zinc/79/36/54/333793654.db2.gz BDNFZWIXBHIDKV-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000343439138 335164654 /nfs/dbraw/zinc/16/46/54/335164654.db2.gz GSAPBLHEOHRRAN-HAGHYFMRSA-N 1 0 312.457 4.216 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414080517 333892760 /nfs/dbraw/zinc/89/27/60/333892760.db2.gz AAOMUKXBVNMALU-CQSZACIVSA-N 1 0 302.443 4.053 20 30 DIEDRO CCCCOc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1OC ZINC000414160066 333914860 /nfs/dbraw/zinc/91/48/60/333914860.db2.gz CFDILMIXSJPQPU-HNNXBMFYSA-N 1 0 318.461 4.465 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(OC(F)(F)F)cc1 ZINC000414161341 333915345 /nfs/dbraw/zinc/91/53/45/333915345.db2.gz FGTNKPYOBMKQLY-LLVKDONJSA-N 1 0 300.324 4.176 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)CCCc1cccnc1)c1ccc(C#N)cc1 ZINC000414161172 333915351 /nfs/dbraw/zinc/91/53/51/333915351.db2.gz ZVPCPLJPTQWLJZ-UZLBHIALSA-N 1 0 307.441 4.405 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000414166061 333916204 /nfs/dbraw/zinc/91/62/04/333916204.db2.gz NCABSDNKKDQRSB-GFCCVEGCSA-N 1 0 314.351 4.218 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(C#N)cc1 ZINC000414236919 333917670 /nfs/dbraw/zinc/91/76/70/333917670.db2.gz WDYRVQYHOYGMIJ-LJQANCHMSA-N 1 0 307.441 4.492 20 30 DIEDRO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000414240262 333918443 /nfs/dbraw/zinc/91/84/43/333918443.db2.gz ZKKFEYORODPPOA-CYBMUJFWSA-N 1 0 311.404 4.241 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414294156 333934803 /nfs/dbraw/zinc/93/48/03/333934803.db2.gz DHWPOMHOOYECNK-HKUYNNGSSA-N 1 0 311.473 4.172 20 30 DIEDRO CCCCCOc1cc(C[NH2+]CCCCC#N)ccc1OC ZINC000264102723 333951928 /nfs/dbraw/zinc/95/19/28/333951928.db2.gz ZBTATRBHKKPTJS-UHFFFAOYSA-N 1 0 304.434 4.048 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2ccsc2)CC1 ZINC000271096803 334018496 /nfs/dbraw/zinc/01/84/96/334018496.db2.gz ZOYHKOOSEMKYDZ-UHFFFAOYSA-N 1 0 310.466 4.284 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000271829747 334027471 /nfs/dbraw/zinc/02/74/71/334027471.db2.gz DRKHJUUXJRVEQO-UZLBHIALSA-N 1 0 304.393 4.004 20 30 DIEDRO CCc1nc2c(s1)[C@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CCC2 ZINC000272330387 334033119 /nfs/dbraw/zinc/03/31/19/334033119.db2.gz XSXJZHMRQPLSCF-MRXNPFEDSA-N 1 0 323.465 4.233 20 30 DIEDRO C[C@@H]([NH2+]CCCC#N)c1cc2cc(Br)ccc2o1 ZINC000273310482 334045233 /nfs/dbraw/zinc/04/52/33/334045233.db2.gz WNGPXJBPLYPCJR-SNVBAGLBSA-N 1 0 307.191 4.150 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273434385 334046928 /nfs/dbraw/zinc/04/69/28/334046928.db2.gz MAIYRNSYTWYZHZ-ZWKOTPCHSA-N 1 0 318.436 4.308 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273434380 334047012 /nfs/dbraw/zinc/04/70/12/334047012.db2.gz MAIYRNSYTWYZHZ-ROUUACIJSA-N 1 0 318.436 4.308 20 30 DIEDRO C[C@H](CCC#N)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000276334532 334075802 /nfs/dbraw/zinc/07/58/02/334075802.db2.gz RQSWSEYHDPPYKB-GFCCVEGCSA-N 1 0 317.820 4.353 20 30 DIEDRO COc1ccccc1[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000277559605 334088976 /nfs/dbraw/zinc/08/89/76/334088976.db2.gz ACNHPEIBYHXCPM-INIZCTEOSA-N 1 0 300.446 4.205 20 30 DIEDRO COc1ccc(OC)c([C@H](C)[NH2+]CCCCC(C)(C)C#N)c1 ZINC000277890764 334091666 /nfs/dbraw/zinc/09/16/66/334091666.db2.gz ZWGASKVNKCZBSF-AWEZNQCLSA-N 1 0 304.434 4.074 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000278210746 334093517 /nfs/dbraw/zinc/09/35/17/334093517.db2.gz SUURZYOVOKCSPM-LJQANCHMSA-N 1 0 314.473 4.152 20 30 DIEDRO CC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(C#N)cc1 ZINC000278330508 334095072 /nfs/dbraw/zinc/09/50/72/334095072.db2.gz WGDGZQNHBDBSGN-QGZVFWFLSA-N 1 0 318.424 4.108 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(-n2cccn2)cc1 ZINC000278574198 334098234 /nfs/dbraw/zinc/09/82/34/334098234.db2.gz CHBJYQBSQHOLMW-MRXNPFEDSA-N 1 0 310.445 4.243 20 30 DIEDRO C[C@@H](c1ccsc1)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000278631682 334098927 /nfs/dbraw/zinc/09/89/27/334098927.db2.gz GKCCENCRDCYCQC-INIZCTEOSA-N 1 0 319.518 4.147 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000278718448 334100196 /nfs/dbraw/zinc/10/01/96/334100196.db2.gz UXPQIXRCYGIJOH-LKUPVBHCSA-N 1 0 302.421 4.326 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000278720308 334100392 /nfs/dbraw/zinc/10/03/92/334100392.db2.gz KOXZNBQCVCDLKL-SJORKVTESA-N 1 0 322.399 4.104 20 30 DIEDRO COCc1ccc([C@@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)o1 ZINC000278864134 334102507 /nfs/dbraw/zinc/10/25/07/334102507.db2.gz SGASVSWDGNAITP-INIZCTEOSA-N 1 0 304.434 4.283 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccc(C#N)cc1 ZINC000278881943 334102778 /nfs/dbraw/zinc/10/27/78/334102778.db2.gz XZFVUTBWHUXXQN-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000279651595 334110753 /nfs/dbraw/zinc/11/07/53/334110753.db2.gz BYFZWZTZYSIPSC-UXPWSPDFSA-N 1 0 308.425 4.397 20 30 DIEDRO CC(C)[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000574982704 334113973 /nfs/dbraw/zinc/11/39/73/334113973.db2.gz HXMKLXMHKJRIJV-XJKSGUPXSA-N 1 0 323.362 4.436 20 30 DIEDRO N#CC1(CCC[NH2+][C@H]2CCC[C@H]2c2ccccc2)CCOCC1 ZINC000281473922 334126424 /nfs/dbraw/zinc/12/64/24/334126424.db2.gz WCKQECKIHMNYSN-OALUTQOASA-N 1 0 312.457 4.013 20 30 DIEDRO CC(C)C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281895508 334129281 /nfs/dbraw/zinc/12/92/81/334129281.db2.gz FCIHXPHIHHKYMG-LJQANCHMSA-N 1 0 314.473 4.464 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@H](c2ccco2)C1 ZINC000281901009 334129572 /nfs/dbraw/zinc/12/95/72/334129572.db2.gz FPMTYISMJPACRY-SJORKVTESA-N 1 0 316.445 4.153 20 30 DIEDRO CC[C@H]1c2ccsc2CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281942571 334129737 /nfs/dbraw/zinc/12/97/37/334129737.db2.gz IWZXSPXGRRXCMZ-INIZCTEOSA-N 1 0 318.486 4.158 20 30 DIEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)c1 ZINC000281996638 334130303 /nfs/dbraw/zinc/13/03/03/334130303.db2.gz NEUJUEPQEZFNHH-QGZVFWFLSA-N 1 0 300.446 4.055 20 30 DIEDRO Cc1ccc([C@H](C)[N@H+](C)CCCC2(C#N)CCOCC2)c(C)c1 ZINC000282118899 334131677 /nfs/dbraw/zinc/13/16/77/334131677.db2.gz XOVDFDOSMPAPBD-SFHVURJKSA-N 1 0 314.473 4.397 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1CCC(C#N)CC1)CC3 ZINC000282211042 334132533 /nfs/dbraw/zinc/13/25/33/334132533.db2.gz HKHHDAUYMVLTIS-JCYILVPMSA-N 1 0 321.468 4.253 20 30 DIEDRO N#CC1CCC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000282330502 334133596 /nfs/dbraw/zinc/13/35/96/334133596.db2.gz OCROQUHWOVNQDS-UHFFFAOYSA-N 1 0 321.468 4.310 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]CC1CCC(C#N)CC1)CCS2 ZINC000282421639 334134742 /nfs/dbraw/zinc/13/47/42/334134742.db2.gz SRCRQYMKHMODCE-MQBCKMQZSA-N 1 0 316.470 4.152 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000282453532 334134822 /nfs/dbraw/zinc/13/48/22/334134822.db2.gz SNRUBLHLVDNFLQ-UHFFFAOYSA-N 1 0 314.326 4.264 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000282773760 334136878 /nfs/dbraw/zinc/13/68/78/334136878.db2.gz PDFUTLRNOQLABJ-KGLIPLIRSA-N 1 0 308.372 4.065 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000285765605 334150185 /nfs/dbraw/zinc/15/01/85/334150185.db2.gz ZTPZUGQRQAWQNV-UHFFFAOYSA-N 1 0 323.440 4.080 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000287029525 334156064 /nfs/dbraw/zinc/15/60/64/334156064.db2.gz SCODYELGXLXHOI-INIZCTEOSA-N 1 0 308.853 4.073 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287217699 334156734 /nfs/dbraw/zinc/15/67/34/334156734.db2.gz FWQRGRMSWMDNJK-YQQAZPJKSA-N 1 0 307.397 4.217 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289357040 334164543 /nfs/dbraw/zinc/16/45/43/334164543.db2.gz NQVNGBABXRHACF-SFHVURJKSA-N 1 0 319.452 4.262 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290462399 334172810 /nfs/dbraw/zinc/17/28/10/334172810.db2.gz WOXNQESZJMTREC-MBPVOVBZSA-N 1 0 320.436 4.133 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290462408 334172827 /nfs/dbraw/zinc/17/28/27/334172827.db2.gz WOXNQESZJMTREC-NASSWSRMSA-N 1 0 320.436 4.133 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000291128842 334176877 /nfs/dbraw/zinc/17/68/77/334176877.db2.gz GQJWPVNEVAPPHA-RBUKOAKNSA-N 1 0 306.409 4.404 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000291684888 334180834 /nfs/dbraw/zinc/18/08/34/334180834.db2.gz XMJAGCGFMUNTKU-UHFFFAOYSA-N 1 0 317.433 4.369 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1O ZINC000340444259 334202998 /nfs/dbraw/zinc/20/29/98/334202998.db2.gz HRKMRJMYWFPNGY-CRAIPNDOSA-N 1 0 324.424 4.487 20 30 DIEDRO Cc1ncc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c(C)n1 ZINC000340449708 334205434 /nfs/dbraw/zinc/20/54/34/334205434.db2.gz WAAMBFIHWGCRIC-DNVCBOLYSA-N 1 0 308.429 4.179 20 30 DIEDRO C[C@H](CC1CCOCC1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340449606 334205509 /nfs/dbraw/zinc/20/55/09/334205509.db2.gz LYUMVDPWYOGGDD-VQIMIIECSA-N 1 0 300.446 4.216 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000294949534 334214585 /nfs/dbraw/zinc/21/45/85/334214585.db2.gz CXBXAVITPUXSBI-MQIPJXDCSA-N 1 0 319.246 4.108 20 30 DIEDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCCC#N)cc1 ZINC000295223800 334220889 /nfs/dbraw/zinc/22/08/89/334220889.db2.gz RFGZVSAECSYZGG-UHFFFAOYSA-N 1 0 313.470 4.168 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000295409600 334222815 /nfs/dbraw/zinc/22/28/15/334222815.db2.gz SNHQLMUBWBOOKK-UHFFFAOYSA-N 1 0 303.425 4.062 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Br)cs1 ZINC000296522911 334234742 /nfs/dbraw/zinc/23/47/42/334234742.db2.gz QBEBLUCCBKPBPK-SCVCMEIPSA-N 1 0 313.264 4.244 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1OC(F)F ZINC000296579428 334235162 /nfs/dbraw/zinc/23/51/62/334235162.db2.gz UENRUPPLTZTBFN-MDZLAQPJSA-N 1 0 312.335 4.160 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000296586126 334235179 /nfs/dbraw/zinc/23/51/79/334235179.db2.gz URJNBSWCUBNVNW-XEZPLFJOSA-N 1 0 304.821 4.226 20 30 DIEDRO C[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000442994013 338441126 /nfs/dbraw/zinc/44/11/26/338441126.db2.gz BBOWLYBFPZSVPD-WMZOPIPTSA-N 1 0 300.446 4.428 20 30 DIEDRO C[N@@H+]1CCC[C@H]1CCSc1nc(-c2ccccc2)ccc1C#N ZINC000534608363 334299483 /nfs/dbraw/zinc/29/94/83/334299483.db2.gz GNZADNUWKPFAAZ-KRWDZBQOSA-N 1 0 323.465 4.197 20 30 DIEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000531951289 334309056 /nfs/dbraw/zinc/30/90/56/334309056.db2.gz VDVSRQAOBWRHTR-GJZGRUSLSA-N 1 0 323.396 4.138 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000531971062 334331795 /nfs/dbraw/zinc/33/17/95/334331795.db2.gz NKMWCCVLYGCTLF-MRXNPFEDSA-N 1 0 311.425 4.419 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000531971061 334331825 /nfs/dbraw/zinc/33/18/25/334331825.db2.gz NKMWCCVLYGCTLF-INIZCTEOSA-N 1 0 311.425 4.419 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000535022565 334356390 /nfs/dbraw/zinc/35/63/90/334356390.db2.gz ISIPLIHQLNWLAS-UHFFFAOYSA-N 1 0 320.436 4.415 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccccc2C(C)(C)C)CC1 ZINC000535089593 334369033 /nfs/dbraw/zinc/36/90/33/334369033.db2.gz ROXOTJXLLKOPHI-INIZCTEOSA-N 1 0 300.490 4.285 20 30 DIEDRO COc1cc2c(NCC(C)(C)CCC#N)cc[nH+]c2cc1F ZINC000340899224 334389367 /nfs/dbraw/zinc/38/93/67/334389367.db2.gz NQQUTADSVOGMSP-UHFFFAOYSA-N 1 0 301.365 4.124 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000341029554 334403164 /nfs/dbraw/zinc/40/31/64/334403164.db2.gz BGWQRXCCCJCSLA-HXUWFJFHSA-N 1 0 324.424 4.077 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341704186 334472081 /nfs/dbraw/zinc/47/20/81/334472081.db2.gz DSAHGGFQZXDWEM-XOBRGWDASA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000341758656 334477669 /nfs/dbraw/zinc/47/76/69/334477669.db2.gz AQEZDHCXDVOBFH-VBKZILBWSA-N 1 0 301.393 4.158 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000341873952 334488564 /nfs/dbraw/zinc/48/85/64/334488564.db2.gz JGLVIOFBBAGXCY-YJYMSZOUSA-N 1 0 324.399 4.434 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000341873945 334488703 /nfs/dbraw/zinc/48/87/03/334488703.db2.gz JGLVIOFBBAGXCY-BFUOFWGJSA-N 1 0 324.399 4.434 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000187977622 334606626 /nfs/dbraw/zinc/60/66/26/334606626.db2.gz PEEQWSMCVDJCBH-CQSZACIVSA-N 1 0 300.471 4.202 20 30 DIEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]CCCSCC#N)C1 ZINC000440626195 334607480 /nfs/dbraw/zinc/60/74/80/334607480.db2.gz NLEPYWJNIKJWKK-QGZVFWFLSA-N 1 0 302.487 4.327 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415573845 334615483 /nfs/dbraw/zinc/61/54/83/334615483.db2.gz CQQGIXOXDZLNNU-LJQANCHMSA-N 1 0 317.477 4.033 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC(CC)(CC)C[NH3+] ZINC000415583714 334615547 /nfs/dbraw/zinc/61/55/47/334615547.db2.gz RILZJFMNQOHCTK-UHFFFAOYSA-N 1 0 317.477 4.178 20 30 DIEDRO C=CCCc1ccccc1NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000415678834 334617963 /nfs/dbraw/zinc/61/79/63/334617963.db2.gz XIOCBBSCZOGWKS-HNNXBMFYSA-N 1 0 323.440 4.147 20 30 DIEDRO C=CC[C@H]1N(C(=O)Nc2ccccc2C[NH2+]C)CCCC1(C)C ZINC000415925070 334632662 /nfs/dbraw/zinc/63/26/62/334632662.db2.gz SMRKYPAVFBROSI-QGZVFWFLSA-N 1 0 315.461 4.005 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)ccc1C#N ZINC000441353334 334703392 /nfs/dbraw/zinc/70/33/92/334703392.db2.gz MJXLQGATOVFAFZ-NVXWUHKLSA-N 1 0 324.399 4.132 20 30 DIEDRO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417362239 334739221 /nfs/dbraw/zinc/73/92/21/334739221.db2.gz JLKGUQCBHAOWLM-MLGOLLRUSA-N 1 0 312.438 4.357 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cnn1C(C)C ZINC000417365718 334741471 /nfs/dbraw/zinc/74/14/71/334741471.db2.gz MHPNBPXWQNDXRI-JLTOFOAXSA-N 1 0 322.456 4.372 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)ccc1OC(C)C ZINC000048710132 334742807 /nfs/dbraw/zinc/74/28/07/334742807.db2.gz UROBHUGIIBYVKV-OAHLLOKOSA-N 1 0 324.424 4.205 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000417363461 334744419 /nfs/dbraw/zinc/74/44/19/334744419.db2.gz KQNFPMJBWJSAEG-QKKBWIMNSA-N 1 0 318.420 4.317 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000417367748 334761686 /nfs/dbraw/zinc/76/16/86/334761686.db2.gz PGMAQQJGXANJCH-SFTDATJTSA-N 1 0 318.420 4.308 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCSc3c(F)cccc32)ccc1C#N ZINC000443964915 338464497 /nfs/dbraw/zinc/46/44/97/338464497.db2.gz VSPWYKVLFKYTJG-QGZVFWFLSA-N 1 0 312.413 4.333 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCC2)C1 ZINC000425962498 334865399 /nfs/dbraw/zinc/86/53/99/334865399.db2.gz YKWVJCPUWBMONB-WBVHZDCISA-N 1 0 302.849 4.477 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(CC)cc2)C(C)C)CC1 ZINC000563706476 334909068 /nfs/dbraw/zinc/90/90/68/334909068.db2.gz GSFZZQIJSHHZOQ-HXUWFJFHSA-N 1 0 300.490 4.186 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000343697307 335188901 /nfs/dbraw/zinc/18/89/01/335188901.db2.gz RWQGVOJFBWTAJJ-TZIWHRDSSA-N 1 0 320.436 4.010 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000344002705 335207103 /nfs/dbraw/zinc/20/71/03/335207103.db2.gz BGVMSBLMMZFZLF-ACJLOTCBSA-N 1 0 310.372 4.262 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000345019457 335291808 /nfs/dbraw/zinc/29/18/08/335291808.db2.gz MMDOKTSCWLDBCK-OAHLLOKOSA-N 1 0 309.335 4.226 20 30 DIEDRO Cc1ccc(C)n1C1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000345138422 335300644 /nfs/dbraw/zinc/30/06/44/335300644.db2.gz XKZYUMBVDMZRRE-KRWDZBQOSA-N 1 0 307.441 4.375 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cnn(Cc2ccccc2)c1 ZINC000444685057 338482315 /nfs/dbraw/zinc/48/23/15/338482315.db2.gz MSERKPSQDIGDHE-QGZVFWFLSA-N 1 0 324.472 4.302 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cnn(Cc2ccccc2)c1 ZINC000444685056 338482345 /nfs/dbraw/zinc/48/23/45/338482345.db2.gz MSERKPSQDIGDHE-KRWDZBQOSA-N 1 0 324.472 4.302 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000348222992 335563151 /nfs/dbraw/zinc/56/31/51/335563151.db2.gz XGRMIZABZGUXBA-FUHWJXTLSA-N 1 0 300.446 4.074 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000348248058 335567147 /nfs/dbraw/zinc/56/71/47/335567147.db2.gz VQNMKVLWSAKMRR-HNNXBMFYSA-N 1 0 306.837 4.473 20 30 DIEDRO COCC(C)(C)CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000348328827 335577879 /nfs/dbraw/zinc/57/78/79/335577879.db2.gz QKABVIDLZHAVRW-IBGZPJMESA-N 1 0 314.473 4.368 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000191127605 335605082 /nfs/dbraw/zinc/60/50/82/335605082.db2.gz NOUZHCSNHBOPGZ-SFHVURJKSA-N 1 0 313.372 4.004 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000535817574 335787498 /nfs/dbraw/zinc/78/74/98/335787498.db2.gz ITCABJUTAUJLKW-UHFFFAOYSA-N 1 0 306.494 4.378 20 30 DIEDRO C=CCCOCC[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000536007900 335809816 /nfs/dbraw/zinc/80/98/16/335809816.db2.gz SGEBYDZQEZKPOB-UHFFFAOYSA-N 1 0 311.425 4.045 20 30 DIEDRO CC[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000519579215 335877660 /nfs/dbraw/zinc/87/76/60/335877660.db2.gz FOSXBQKQOYKTGT-GOSISDBHSA-N 1 0 300.352 4.120 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccc(O)c1 ZINC000520467171 335980603 /nfs/dbraw/zinc/98/06/03/335980603.db2.gz FOGPXVSLNLHEMV-LLVKDONJSA-N 1 0 320.314 4.133 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000520604404 335994167 /nfs/dbraw/zinc/99/41/67/335994167.db2.gz RRWKOFFCAQYGLQ-IFXJQAMLSA-N 1 0 312.388 4.206 20 30 DIEDRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000520606404 335994222 /nfs/dbraw/zinc/99/42/22/335994222.db2.gz CDGYOCMRUNZYJJ-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000351582573 336046915 /nfs/dbraw/zinc/04/69/15/336046915.db2.gz QNBMFUPBIJLOLO-NUJGCVRESA-N 1 0 300.446 4.283 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(OC)c(OC)c1 ZINC000352245935 336206499 /nfs/dbraw/zinc/20/64/99/336206499.db2.gz KXUONMMMRLPXPP-SFHVURJKSA-N 1 0 324.424 4.011 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(OC)c(OC)c1 ZINC000352245933 336206509 /nfs/dbraw/zinc/20/65/09/336206509.db2.gz KXUONMMMRLPXPP-GOSISDBHSA-N 1 0 324.424 4.011 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000532583330 336256469 /nfs/dbraw/zinc/25/64/69/336256469.db2.gz YJEOJMQFPKCKHD-CQSZACIVSA-N 1 0 308.853 4.345 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000532576910 336256942 /nfs/dbraw/zinc/25/69/42/336256942.db2.gz PCFOYUCAZGNTGP-UHFFFAOYSA-N 1 0 306.475 4.025 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H]1Oc2ccccc2[C@H]1C ZINC000580366870 336260804 /nfs/dbraw/zinc/26/08/04/336260804.db2.gz GHYPAJDBVMCFGH-QWUQOBSTSA-N 1 0 318.420 4.088 20 30 DIEDRO N#CC1(c2ccccn2)CC[NH+](CCC2CCCCCC2)CC1 ZINC000580378488 336262193 /nfs/dbraw/zinc/26/21/93/336262193.db2.gz MHYZLHBDZIFXPE-UHFFFAOYSA-N 1 0 311.473 4.299 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c(F)c1 ZINC000104704241 336265033 /nfs/dbraw/zinc/26/50/33/336265033.db2.gz DHSYXBJTVCINLT-IBGZPJMESA-N 1 0 312.363 4.467 20 30 DIEDRO COc1ccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1C#N ZINC000532745819 336269377 /nfs/dbraw/zinc/26/93/77/336269377.db2.gz CLQDMWWDSYEYQY-FQEVSTJZSA-N 1 0 318.420 4.219 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000532785453 336271089 /nfs/dbraw/zinc/27/10/89/336271089.db2.gz UQLLPKOSGVBXGX-IVMQYODDSA-N 1 0 310.441 4.194 20 30 DIEDRO C[C@H](C[NH2+]Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000526948071 336276089 /nfs/dbraw/zinc/27/60/89/336276089.db2.gz PJUNPTLRACPBDX-CYBMUJFWSA-N 1 0 318.342 4.470 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000192931912 336284919 /nfs/dbraw/zinc/28/49/19/336284919.db2.gz USCGJCWPNZCUMT-UTKZUKDTSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000192977439 336286268 /nfs/dbraw/zinc/28/62/68/336286268.db2.gz RZZXYWIWTHCNRK-QWHCGFSZSA-N 1 0 316.351 4.279 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000193004375 336286833 /nfs/dbraw/zinc/28/68/33/336286833.db2.gz CDSMZAYXMJIUJK-YWZLYKJASA-N 1 0 306.409 4.391 20 30 DIEDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000301170392 336293112 /nfs/dbraw/zinc/29/31/12/336293112.db2.gz WVZFPZSUUDMTDC-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO N#Cc1ccc(NC2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC000301235310 336296031 /nfs/dbraw/zinc/29/60/31/336296031.db2.gz JXJQGXSDYXQNLM-UHFFFAOYSA-N 1 0 317.864 4.278 20 30 DIEDRO CC[NH+](CC)Cc1cccc(CNc2ccc(F)cc2C#N)c1 ZINC000301340138 336301529 /nfs/dbraw/zinc/30/15/29/336301529.db2.gz FHIITDZUCCEXMV-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2cc(C(C)C)nc(C(C)C)n2)CC1 ZINC000301850219 336334016 /nfs/dbraw/zinc/33/40/16/336334016.db2.gz DXVQPKSCCKTLTG-UHFFFAOYSA-N 1 0 316.493 4.176 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000582233857 336373818 /nfs/dbraw/zinc/37/38/18/336373818.db2.gz GHMCGSNTUHCDEZ-HNNXBMFYSA-N 1 0 312.379 4.327 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000514139032 336374813 /nfs/dbraw/zinc/37/48/13/336374813.db2.gz WCKFNBOHQSNWES-SCLBCKFNSA-N 1 0 314.816 4.250 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000514139030 336374843 /nfs/dbraw/zinc/37/48/43/336374843.db2.gz WCKFNBOHQSNWES-ACJLOTCBSA-N 1 0 314.816 4.250 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)cc1OC ZINC000352935460 336378283 /nfs/dbraw/zinc/37/82/83/336378283.db2.gz OVXDESAPKLCNJN-KRWDZBQOSA-N 1 0 301.430 4.025 20 30 DIEDRO C=CCc1cc(C[NH2+]Cc2cccc(C)c2)cc(OC)c1OC ZINC000105478336 336387607 /nfs/dbraw/zinc/38/76/07/336387607.db2.gz BGFZEEJCDSRUGM-UHFFFAOYSA-N 1 0 311.425 4.031 20 30 DIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C)cc2)cc(OC)c1OC ZINC000105478331 336387696 /nfs/dbraw/zinc/38/76/96/336387696.db2.gz WTKWZSFGJSVBNM-UHFFFAOYSA-N 1 0 311.425 4.031 20 30 DIEDRO C=CCOc1ccc(CNCc2c(Cl)cccc2OC)cc1 ZINC000389431738 336390728 /nfs/dbraw/zinc/39/07/28/336390728.db2.gz UUXQLJFRJFUYSA-UHFFFAOYSA-N 1 0 317.816 4.203 20 30 DIEDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)cc2)ccn1 ZINC000111387520 336398156 /nfs/dbraw/zinc/39/81/56/336398156.db2.gz WZBMREDQAQSOTA-MRXNPFEDSA-N 1 0 323.440 4.056 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOc3ccc(F)cc31)CC2 ZINC000353259313 336408539 /nfs/dbraw/zinc/40/85/39/336408539.db2.gz RZGNTOFGMKRQKW-RTBURBONSA-N 1 0 322.383 4.188 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1O ZINC000353261745 336408786 /nfs/dbraw/zinc/40/87/86/336408786.db2.gz UVNDSAAOJIKTTA-PBHICJAKSA-N 1 0 310.397 4.096 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(OC)cc1 ZINC000353410632 336416030 /nfs/dbraw/zinc/41/60/30/336416030.db2.gz IJRRJVJRDVLMIV-UXHICEINSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@H]([NH2+]CCCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000353493872 336420405 /nfs/dbraw/zinc/42/04/05/336420405.db2.gz WZTGKJZVDDJJCV-AWEZNQCLSA-N 1 0 300.324 4.320 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353582205 336426636 /nfs/dbraw/zinc/42/66/36/336426636.db2.gz PFNVLHRGGRHMOH-DJJJIMSYSA-N 1 0 322.456 4.156 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cnc3ccsc3c2)ccc1C#N ZINC000353604868 336428158 /nfs/dbraw/zinc/42/81/58/336428158.db2.gz AWHXLVDJIXPXIH-GFCCVEGCSA-N 1 0 323.421 4.027 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(Cl)cc1 ZINC000353630779 336430346 /nfs/dbraw/zinc/43/03/46/336430346.db2.gz NRKWZWFGEKQWGS-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO COc1ccc(C[NH2+]C(C)(C)C(C)(C)C)cc1OCCCC#N ZINC000353742682 336437390 /nfs/dbraw/zinc/43/73/90/336437390.db2.gz AUZANMLLGAAEGI-UHFFFAOYSA-N 1 0 318.461 4.292 20 30 DIEDRO COCCCC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000355291088 336502825 /nfs/dbraw/zinc/50/28/25/336502825.db2.gz MKLVYMSOMIWGSC-GOSISDBHSA-N 1 0 314.454 4.267 20 30 DIEDRO COCCCC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000355334749 336504471 /nfs/dbraw/zinc/50/44/71/336504471.db2.gz SNXLFBVUFZFNAH-GOSISDBHSA-N 1 0 314.454 4.267 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccncc1 ZINC000356195369 336540406 /nfs/dbraw/zinc/54/04/06/336540406.db2.gz QQINHRIDKWWKJD-MRXNPFEDSA-N 1 0 319.330 4.213 20 30 DIEDRO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCC1 ZINC000358503434 336632743 /nfs/dbraw/zinc/63/27/43/336632743.db2.gz NIVUDQVGAIRNBK-UHFFFAOYSA-N 1 0 312.457 4.357 20 30 DIEDRO CC[C@H]([NH2+]CC1(C)CCC(OC)CC1)c1ccc(C#N)cc1 ZINC000359004134 336652566 /nfs/dbraw/zinc/65/25/66/336652566.db2.gz SVZQBRKYGLBHMA-XBMUEBEBSA-N 1 0 300.446 4.194 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2ncccc2c1 ZINC000359027757 336654153 /nfs/dbraw/zinc/65/41/53/336654153.db2.gz HZKSEPONCKUEOA-NRFANRHFSA-N 1 0 313.404 4.274 20 30 DIEDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360646016 336717097 /nfs/dbraw/zinc/71/70/97/336717097.db2.gz GELVCQQPNPUJKB-RNODOKPDSA-N 1 0 323.440 4.151 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nc(C2CC2)cs1 ZINC000360647023 336717207 /nfs/dbraw/zinc/71/72/07/336717207.db2.gz LJXSLOOABNBTIR-QGZVFWFLSA-N 1 0 323.465 4.449 20 30 DIEDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360656178 336717577 /nfs/dbraw/zinc/71/75/77/336717577.db2.gz GMCBHWROYHNRGW-YJYMSZOUSA-N 1 0 323.440 4.324 20 30 DIEDRO Cc1nc(C)c(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000360656565 336717815 /nfs/dbraw/zinc/71/78/15/336717815.db2.gz IWHOTSAQMSKNAF-QGZVFWFLSA-N 1 0 311.454 4.189 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000360773372 336721794 /nfs/dbraw/zinc/72/17/94/336721794.db2.gz RROGPDHWUKSPKT-ZIAGYGMSSA-N 1 0 300.402 4.185 20 30 DIEDRO COc1cnccc1[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360872741 336725203 /nfs/dbraw/zinc/72/52/03/336725203.db2.gz OBAQUJSMYXZDTI-AUUYWEPGSA-N 1 0 321.424 4.080 20 30 DIEDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000117393281 336854684 /nfs/dbraw/zinc/85/46/84/336854684.db2.gz IQDGQBVXZIRUPK-AEFFLSMTSA-N 1 0 318.486 4.133 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)c1 ZINC000368960572 336855694 /nfs/dbraw/zinc/85/56/94/336855694.db2.gz OICZASUVCFWINY-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C3CC3)cc2)ccc1C#N ZINC000418118126 336869430 /nfs/dbraw/zinc/86/94/30/336869430.db2.gz VKRLFUMHXKDCIP-AWEZNQCLSA-N 1 0 306.409 4.295 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2[nH]ccc21 ZINC000418143899 336896589 /nfs/dbraw/zinc/89/65/89/336896589.db2.gz JKYFYPJBLZWEPJ-FQEVSTJZSA-N 1 0 301.393 4.207 20 30 DIEDRO N#CC1(C[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000418138089 336897586 /nfs/dbraw/zinc/89/75/86/336897586.db2.gz FYTXEFPOIYQEJX-UHFFFAOYSA-N 1 0 308.347 4.235 20 30 DIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000389949983 336927400 /nfs/dbraw/zinc/92/74/00/336927400.db2.gz WLNXIZCRPFGIKD-SJORKVTESA-N 1 0 308.425 4.204 20 30 DIEDRO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374291104 336986188 /nfs/dbraw/zinc/98/61/88/336986188.db2.gz ISVPRRWJPKUOCB-GOSISDBHSA-N 1 0 323.415 4.229 20 30 DIEDRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCCCC(C)(C)C#N)CC2 ZINC000376116330 337027524 /nfs/dbraw/zinc/02/75/24/337027524.db2.gz QEXJYYODVXXYIG-UHFFFAOYSA-N 1 0 312.457 4.010 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1 ZINC000376179128 337028996 /nfs/dbraw/zinc/02/89/96/337028996.db2.gz XSTZZUUNMUPPHQ-IERDGZPVSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1 ZINC000376179130 337029042 /nfs/dbraw/zinc/02/90/42/337029042.db2.gz XSTZZUUNMUPPHQ-KKSFZXQISA-N 1 0 320.436 4.377 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H]1CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000376613119 337038040 /nfs/dbraw/zinc/03/80/40/337038040.db2.gz YIRGMVHWNLOMDR-IRXDYDNUSA-N 1 0 307.384 4.131 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000376844539 337042601 /nfs/dbraw/zinc/04/26/01/337042601.db2.gz TXUWWNBBSPWIIC-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc(C#N)c1 ZINC000377799367 337061516 /nfs/dbraw/zinc/06/15/16/337061516.db2.gz UBYAYAIZRPAEIJ-YSGRDPCXSA-N 1 0 306.409 4.129 20 30 DIEDRO CCOc1cc2[nH+]ccc(NCCCCC#N)c2cc1OCC ZINC000171819600 337089322 /nfs/dbraw/zinc/08/93/22/337089322.db2.gz VRVAPULSGJGLTL-UHFFFAOYSA-N 1 0 313.401 4.138 20 30 DIEDRO C=CCC1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CCC1 ZINC000582612372 337112702 /nfs/dbraw/zinc/11/27/02/337112702.db2.gz OJOXQZZWHAPXEF-UHFFFAOYSA-N 1 0 323.440 4.330 20 30 DIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)cc1 ZINC000582748193 337133049 /nfs/dbraw/zinc/13/30/49/337133049.db2.gz DYLIMYWYABJESG-NRFANRHFSA-N 1 0 320.436 4.488 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000174840455 337144996 /nfs/dbraw/zinc/14/49/96/337144996.db2.gz AYBPEWLUGPQCDN-UHFFFAOYSA-N 1 0 303.425 4.032 20 30 DIEDRO Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508625 337146884 /nfs/dbraw/zinc/14/68/84/337146884.db2.gz VVUWRUSAYLZHEV-HUUCEWRRSA-N 1 0 312.388 4.124 20 30 DIEDRO CC[C@@H](c1ccc(F)cc1F)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000532899736 337149969 /nfs/dbraw/zinc/14/99/69/337149969.db2.gz AXSMWAIEKFBCKD-SFHVURJKSA-N 1 0 300.352 4.420 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000176747940 337151976 /nfs/dbraw/zinc/15/19/76/337151976.db2.gz DLQWNYTTXZRULZ-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccc(C#N)cc1 ZINC000178554254 337163717 /nfs/dbraw/zinc/16/37/17/337163717.db2.gz KGBULNBBKGTJBE-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000222450560 337178605 /nfs/dbraw/zinc/17/86/05/337178605.db2.gz TYLVMSSCVJXLTJ-HNNXBMFYSA-N 1 0 312.251 4.083 20 30 DIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCCC(C)(C)C#N)C3)nc2c1 ZINC000181145184 337182000 /nfs/dbraw/zinc/18/20/00/337182000.db2.gz DAALUJWNAWVWAK-MRXNPFEDSA-N 1 0 324.472 4.381 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000182182920 337187165 /nfs/dbraw/zinc/18/71/65/337187165.db2.gz KPGWARPQOXZMKP-SHPPYHEDSA-N 1 0 312.457 4.154 20 30 DIEDRO C=CCC(C)(C)c1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000582860918 337208759 /nfs/dbraw/zinc/20/87/59/337208759.db2.gz MSFPNVHFPPSZTC-UHFFFAOYSA-N 1 0 311.429 4.186 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)[C@@H]1COc2ccccc21 ZINC000185644450 337249812 /nfs/dbraw/zinc/24/98/12/337249812.db2.gz TUKLZRLMSPQDGG-YJBOKZPZSA-N 1 0 320.436 4.142 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000185802220 337250478 /nfs/dbraw/zinc/25/04/78/337250478.db2.gz WAXULRVSLVJHEH-QEORTHHSSA-N 1 0 320.383 4.337 20 30 DIEDRO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(OCCCC#N)c1 ZINC000321436790 337265049 /nfs/dbraw/zinc/26/50/49/337265049.db2.gz QJINNMNZJSVUIX-IAGOWNOFSA-N 1 0 315.461 4.092 20 30 DIEDRO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(OCCCC#N)c1 ZINC000321436794 337265096 /nfs/dbraw/zinc/26/50/96/337265096.db2.gz QJINNMNZJSVUIX-SJORKVTESA-N 1 0 315.461 4.092 20 30 DIEDRO C[C@H]1CCCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000187516001 337266539 /nfs/dbraw/zinc/26/65/39/337266539.db2.gz JKUQMTHAEOLEPC-KRWDZBQOSA-N 1 0 322.456 4.086 20 30 DIEDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000189371817 337278894 /nfs/dbraw/zinc/27/88/94/337278894.db2.gz MUFMJMHWQGZGSC-HNAYVOBHSA-N 1 0 322.408 4.072 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000583232984 337281366 /nfs/dbraw/zinc/28/13/66/337281366.db2.gz MZTIZDUGVVSLPT-RTWAWAEBSA-N 1 0 323.436 4.261 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(-c2ccncc2)cc1 ZINC000192923217 337307556 /nfs/dbraw/zinc/30/75/56/337307556.db2.gz CLUHTFQHBGZPMF-TWOQFEAHSA-N 1 0 305.425 4.482 20 30 DIEDRO N#CCCC1CC[NH+](Cc2sccc2Br)CC1 ZINC000399308403 337315280 /nfs/dbraw/zinc/31/52/80/337315280.db2.gz XHBXNJQGYCZQFM-UHFFFAOYSA-N 1 0 313.264 4.026 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000583716134 337316807 /nfs/dbraw/zinc/31/68/07/337316807.db2.gz PHYFAGXACNZEEW-NRFANRHFSA-N 1 0 320.436 4.271 20 30 DIEDRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000583803277 337335112 /nfs/dbraw/zinc/33/51/12/337335112.db2.gz ZVLVSDYNZOQMFZ-YVZJPGBNSA-N 1 0 312.457 4.152 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000237749576 337469428 /nfs/dbraw/zinc/46/94/28/337469428.db2.gz MWDIKRVJIOYROW-UHFFFAOYSA-N 1 0 300.427 4.029 20 30 DIEDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C#N)s1 ZINC000421346781 337527808 /nfs/dbraw/zinc/52/78/08/337527808.db2.gz APFTUFIOVNJICB-LLVKDONJSA-N 1 0 324.371 4.359 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(C)nc(C)c2)cc1Cl ZINC000421383332 337529514 /nfs/dbraw/zinc/52/95/14/337529514.db2.gz NYEFZYGZADGDSL-UHFFFAOYSA-N 1 0 316.832 4.206 20 30 DIEDRO CC(C)Cc1ccc([C@H]([NH2+]CCOCCC#N)C(C)C)cc1 ZINC000571780225 337576647 /nfs/dbraw/zinc/57/66/47/337576647.db2.gz JTHOEPTUGKSPEZ-LJQANCHMSA-N 1 0 302.462 4.102 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000572279046 337602925 /nfs/dbraw/zinc/60/29/25/337602925.db2.gz PISNMFSSGUBDDC-GGPKGHCWSA-N 1 0 313.485 4.458 20 30 DIEDRO CC[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)Oc1cccc(F)c1 ZINC000572327816 337608826 /nfs/dbraw/zinc/60/88/26/337608826.db2.gz ZHXSVYLBUKRPRP-PXNSSMCTSA-N 1 0 324.399 4.132 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C(=O)N(CC)CC)cc1)C1CC1 ZINC000269722917 337637555 /nfs/dbraw/zinc/63/75/55/337637555.db2.gz QLBZRBMCCVOWIZ-IBGZPJMESA-N 1 0 314.473 4.003 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000271416492 337644483 /nfs/dbraw/zinc/64/44/83/337644483.db2.gz BIJXJCKLGFSKFE-LPHOPBHVSA-N 1 0 321.420 4.263 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(OCCOC)cc1)c1ccccc1 ZINC000271557465 337644945 /nfs/dbraw/zinc/64/49/45/337644945.db2.gz SZXCSYYTYHBSLC-DYESRHJHSA-N 1 0 323.436 4.127 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272395997 337647896 /nfs/dbraw/zinc/64/78/96/337647896.db2.gz WNXMGKVKKWCALC-IBGZPJMESA-N 1 0 314.448 4.002 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1sc(C)nc1C(F)(F)F)c1ccccc1 ZINC000273548634 337655456 /nfs/dbraw/zinc/65/54/56/337655456.db2.gz BOYUPHHAPROCTL-CYBMUJFWSA-N 1 0 324.371 4.325 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000276363799 337664544 /nfs/dbraw/zinc/66/45/44/337664544.db2.gz BBWIPRNNIGYOFG-HNNXBMFYSA-N 1 0 317.477 4.000 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000276363802 337664634 /nfs/dbraw/zinc/66/46/34/337664634.db2.gz BBWIPRNNIGYOFG-OAHLLOKOSA-N 1 0 317.477 4.000 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000536838768 337736041 /nfs/dbraw/zinc/73/60/41/337736041.db2.gz KXAVGEKKNFSQPY-OAHLLOKOSA-N 1 0 300.229 4.163 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)C1CC1 ZINC000536872300 337752143 /nfs/dbraw/zinc/75/21/43/337752143.db2.gz RREVCBORAXHFFN-AWEZNQCLSA-N 1 0 319.399 4.308 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527719745 337758932 /nfs/dbraw/zinc/75/89/32/337758932.db2.gz JFYRNTVJLDXEFV-IBGZPJMESA-N 1 0 301.393 4.207 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000424138926 337759320 /nfs/dbraw/zinc/75/93/20/337759320.db2.gz NGBCRUXLSKVTBL-JQAFLVLXSA-N 1 0 312.240 4.161 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)CCc2ccccc2)CC1 ZINC000527858283 337769605 /nfs/dbraw/zinc/76/96/05/337769605.db2.gz JGAHTSZODJEIFO-LJQANCHMSA-N 1 0 300.490 4.028 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000424166020 337789614 /nfs/dbraw/zinc/78/96/14/337789614.db2.gz BOIHZERSZMCOFG-YOEHRIQHSA-N 1 0 317.429 4.235 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000424301341 337818054 /nfs/dbraw/zinc/81/80/54/337818054.db2.gz ZTNYKPPNUFJDTB-BPUTZDHNSA-N 1 0 324.262 4.081 20 30 DIEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000424198218 337807812 /nfs/dbraw/zinc/80/78/12/337807812.db2.gz IWNVNPXTWUHBDA-UHFFFAOYSA-N 1 0 320.845 4.307 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)cc1Cl ZINC000105461107 337808393 /nfs/dbraw/zinc/80/83/93/337808393.db2.gz JGIUSOOCMIKEKU-CYBMUJFWSA-N 1 0 317.816 4.461 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000424208655 337809762 /nfs/dbraw/zinc/80/97/62/337809762.db2.gz YNYQAJVIMVRRFA-NWDGAFQWSA-N 1 0 302.324 4.007 20 30 DIEDRO COc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC000424209694 337809800 /nfs/dbraw/zinc/80/98/00/337809800.db2.gz ZLZOYGNSSBYSKA-DLBZAZTESA-N 1 0 322.408 4.269 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000424297679 337817183 /nfs/dbraw/zinc/81/71/83/337817183.db2.gz QZPLYQWJFMSRSR-YHQUGGNUSA-N 1 0 311.878 4.074 20 30 DIEDRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424317306 337819978 /nfs/dbraw/zinc/81/99/78/337819978.db2.gz BUJRYUAWMDKOKU-IVMMDQJWSA-N 1 0 310.363 4.308 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccc(Br)c21 ZINC000424326012 337821286 /nfs/dbraw/zinc/82/12/86/337821286.db2.gz LPUFPHZCYKOXKJ-ZAZJYDDPSA-N 1 0 319.246 4.279 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccc(Br)c21 ZINC000424326010 337821358 /nfs/dbraw/zinc/82/13/58/337821358.db2.gz LPUFPHZCYKOXKJ-UUIJZJDISA-N 1 0 319.246 4.279 20 30 DIEDRO CCCCOc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1OC ZINC000538513209 337826705 /nfs/dbraw/zinc/82/67/05/337826705.db2.gz ZJBJNTWQZHNJST-HNNXBMFYSA-N 1 0 318.461 4.465 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000046836383 337840727 /nfs/dbraw/zinc/84/07/27/337840727.db2.gz JROXLWPPPWQBGF-GFCCVEGCSA-N 1 0 320.314 4.308 20 30 DIEDRO N#CCSCCC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119034865 337852672 /nfs/dbraw/zinc/85/26/72/337852672.db2.gz QAXKZCWOESHIAQ-QZTJIDSGSA-N 1 0 302.487 4.024 20 30 DIEDRO N#Cc1cccc(CNc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000119512778 337860301 /nfs/dbraw/zinc/86/03/01/337860301.db2.gz BDBVJQQPWGYUGT-UHFFFAOYSA-N 1 0 305.425 4.156 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000536994976 337860361 /nfs/dbraw/zinc/86/03/61/337860361.db2.gz GCMIMRSKPRRMNE-HNNXBMFYSA-N 1 0 313.445 4.124 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000536984533 337860873 /nfs/dbraw/zinc/86/08/73/337860873.db2.gz GSIAGKBOALJIQE-CKEIUWERSA-N 1 0 317.864 4.053 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)C1CC1 ZINC000120015439 337869444 /nfs/dbraw/zinc/86/94/44/337869444.db2.gz LXHUZXADFBOIGW-AWEZNQCLSA-N 1 0 311.372 4.131 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000537089715 337888654 /nfs/dbraw/zinc/88/86/54/337888654.db2.gz TUYSHARJEQEANQ-GOSISDBHSA-N 1 0 312.388 4.061 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000537092147 337889183 /nfs/dbraw/zinc/88/91/83/337889183.db2.gz KOQCDESGIFIJDH-CTNGQTDRSA-N 1 0 309.453 4.135 20 30 DIEDRO Cc1cccc(C)c1OC[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000537124318 337893543 /nfs/dbraw/zinc/89/35/43/337893543.db2.gz LMVSGODHEUYMQT-IBGZPJMESA-N 1 0 308.425 4.317 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000121871348 337900183 /nfs/dbraw/zinc/90/01/83/337900183.db2.gz SKWUZTCHFVPSEP-CYBMUJFWSA-N 1 0 303.352 4.380 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2cc(C#N)ccc2F)C2CC2)ccc1F ZINC000537219216 337924950 /nfs/dbraw/zinc/92/49/50/337924950.db2.gz IPPFEACAFBUYTP-LJQANCHMSA-N 1 0 312.363 4.386 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc2ccccc21)c1cccc(C#N)c1 ZINC000537293815 337928896 /nfs/dbraw/zinc/92/88/96/337928896.db2.gz HUBDSLNPKFTEOR-INIZCTEOSA-N 1 0 316.404 4.441 20 30 DIEDRO CC(C)OCc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000537295498 337928919 /nfs/dbraw/zinc/92/89/19/337928919.db2.gz IUMDQZLWJVOXNK-MRXNPFEDSA-N 1 0 308.425 4.334 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C[C@H](CCC)c2ccccc2)CC1 ZINC000537301844 337929817 /nfs/dbraw/zinc/92/98/17/337929817.db2.gz MPLRWEWANZUYLR-IBGZPJMESA-N 1 0 300.490 4.200 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000514818342 337971169 /nfs/dbraw/zinc/97/11/69/337971169.db2.gz PXRPDVMMVAXKTG-QEORTHHSSA-N 1 0 309.450 4.179 20 30 DIEDRO CC1(c2cccc(Cl)c2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000515155495 337981102 /nfs/dbraw/zinc/98/11/02/337981102.db2.gz ILPYRLNDQFHSEP-WMLDXEAASA-N 1 0 302.849 4.386 20 30 DIEDRO C=CCC(C)(C)c1noc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000516497803 338013961 /nfs/dbraw/zinc/01/39/61/338013961.db2.gz ZWTMPWJSBWOXPJ-UHFFFAOYSA-N 1 0 311.429 4.186 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccco1 ZINC000426311435 338026159 /nfs/dbraw/zinc/02/61/59/338026159.db2.gz NSOXZFXXNLWTBF-NVXWUHKLSA-N 1 0 314.404 4.295 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH+](C2CCC2)C2CCC2)c1 ZINC000429173143 338072347 /nfs/dbraw/zinc/07/23/47/338072347.db2.gz MYOJMXPWVVJRQA-UHFFFAOYSA-N 1 0 319.246 4.228 20 30 DIEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CCCCC#N ZINC000429270195 338075356 /nfs/dbraw/zinc/07/53/56/338075356.db2.gz FNCKTXBQKUGUFG-HNNXBMFYSA-N 1 0 321.262 4.356 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429573618 338084647 /nfs/dbraw/zinc/08/46/47/338084647.db2.gz BIOYDHCLMWVNNB-LSDHHAIUSA-N 1 0 318.486 4.024 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1CC ZINC000429783210 338089783 /nfs/dbraw/zinc/08/97/83/338089783.db2.gz IAQSBWZDNLHHDI-HUUCEWRRSA-N 1 0 318.486 4.072 20 30 DIEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Br)cc1 ZINC000429800664 338090223 /nfs/dbraw/zinc/09/02/23/338090223.db2.gz SGUKRJDANDDIGB-AWEZNQCLSA-N 1 0 307.235 4.184 20 30 DIEDRO CC(C)[C@H]1[N@H+](Cc2cccc(OCCCC#N)c2)CC12CCC2 ZINC000430084621 338095449 /nfs/dbraw/zinc/09/54/49/338095449.db2.gz KIGIMSODMXZSIH-LJQANCHMSA-N 1 0 312.457 4.380 20 30 DIEDRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430726946 338112568 /nfs/dbraw/zinc/11/25/68/338112568.db2.gz WXYHMDUDMLREGS-REMYHPOOSA-N 1 0 312.457 4.246 20 30 DIEDRO CCCCOc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1OC ZINC000430747066 338113299 /nfs/dbraw/zinc/11/32/99/338113299.db2.gz KLWWDHWMDKPHRF-HNNXBMFYSA-N 1 0 316.445 4.219 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC2(CC#N)CC2)c2ccc(F)cc2)cc1 ZINC000430751655 338113686 /nfs/dbraw/zinc/11/36/86/338113686.db2.gz YGBKBEZZSVFJPP-LJQANCHMSA-N 1 0 324.399 4.207 20 30 DIEDRO C[C@H](CCC(F)(F)F)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000430756929 338113966 /nfs/dbraw/zinc/11/39/66/338113966.db2.gz VFFMJMMSPGFFJE-ZCFIWIBFSA-N 1 0 303.221 4.064 20 30 DIEDRO N#CCC1(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000430761382 338114095 /nfs/dbraw/zinc/11/40/95/338114095.db2.gz LWRSRONNMJYSOB-OAHLLOKOSA-N 1 0 319.246 4.110 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1 ZINC000432241981 338150062 /nfs/dbraw/zinc/15/00/62/338150062.db2.gz UYTZIEGNYFTYNL-UHFFFAOYSA-N 1 0 317.473 4.325 20 30 DIEDRO C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000432248354 338150609 /nfs/dbraw/zinc/15/06/09/338150609.db2.gz YVCAJNQNCHTRCW-MXWWQKGMSA-N 1 0 300.446 4.193 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000432500526 338157655 /nfs/dbraw/zinc/15/76/55/338157655.db2.gz IYDURBPBMJHHOA-HKUYNNGSSA-N 1 0 319.452 4.125 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCOc1cccc(F)c1)c1ccccc1 ZINC000433014631 338176254 /nfs/dbraw/zinc/17/62/54/338176254.db2.gz GCPLRSSOUQBCDA-IBGZPJMESA-N 1 0 312.388 4.229 20 30 DIEDRO COc1cccc(OCC[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433020047 338176556 /nfs/dbraw/zinc/17/65/56/338176556.db2.gz AXSWIPWFAZCPBH-FQEVSTJZSA-N 1 0 324.424 4.099 20 30 DIEDRO COc1ccc(CC[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000433019919 338176590 /nfs/dbraw/zinc/17/65/90/338176590.db2.gz QMSZAGPQUKLNGC-HXUWFJFHSA-N 1 0 308.425 4.262 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000433313310 338191661 /nfs/dbraw/zinc/19/16/61/338191661.db2.gz VAHFYNNQLSRKLG-KRWDZBQOSA-N 1 0 307.397 4.467 20 30 DIEDRO C=CCCCCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434662614 338222685 /nfs/dbraw/zinc/22/26/85/338222685.db2.gz MRIAJSFSLCYNEV-UHFFFAOYSA-N 1 0 303.421 4.467 20 30 DIEDRO C=CC[N@H+](CCC(=O)Nc1ccccc1C)CCc1ccccc1 ZINC000434835909 338226244 /nfs/dbraw/zinc/22/62/44/338226244.db2.gz IDQDWTZCOAEUMO-UHFFFAOYSA-N 1 0 322.452 4.054 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000434991266 338229254 /nfs/dbraw/zinc/22/92/54/338229254.db2.gz LWOXLCZSUNPSSB-HXUWFJFHSA-N 1 0 306.409 4.316 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)s1 ZINC000435729697 338246594 /nfs/dbraw/zinc/24/65/94/338246594.db2.gz BMOUTKKYVDYRQC-MQMHXKEQSA-N 1 0 302.830 4.309 20 30 DIEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000435732777 338246808 /nfs/dbraw/zinc/24/68/08/338246808.db2.gz QQPOLNCXMXJREH-IAGOWNOFSA-N 1 0 306.475 4.083 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000435738269 338247074 /nfs/dbraw/zinc/24/70/74/338247074.db2.gz QERHRTBCLFLLMY-WBMJQRKESA-N 1 0 305.805 4.157 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000435739333 338247256 /nfs/dbraw/zinc/24/72/56/338247256.db2.gz WYTMPCGGYOIAAK-XHDPSFHLSA-N 1 0 300.229 4.064 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c(F)c1 ZINC000436229388 338262554 /nfs/dbraw/zinc/26/25/54/338262554.db2.gz DXBJLJZHYSGDNN-LPHOPBHVSA-N 1 0 308.400 4.198 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436244876 338263177 /nfs/dbraw/zinc/26/31/77/338263177.db2.gz SEMVMRSOTRNUJN-PZJWPPBQSA-N 1 0 312.501 4.028 20 30 DIEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000436265841 338264306 /nfs/dbraw/zinc/26/43/06/338264306.db2.gz TUSHTBKXYIXCCC-WOJBJXKFSA-N 1 0 314.473 4.216 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000436285976 338266108 /nfs/dbraw/zinc/26/61/08/338266108.db2.gz PXMZLBSVOCXIPM-JQHSSLGASA-N 1 0 305.849 4.362 20 30 DIEDRO C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291073 338266583 /nfs/dbraw/zinc/26/65/83/338266583.db2.gz KPHDBFQKXCKRTF-OXQOHEQNSA-N 1 0 311.473 4.006 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000436292737 338266762 /nfs/dbraw/zinc/26/67/62/338266762.db2.gz LVMGSYAVTVWQPK-LNLFQRSKSA-N 1 0 301.474 4.314 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000436294315 338266895 /nfs/dbraw/zinc/26/68/95/338266895.db2.gz GDLRPTZHCMDNNF-NEWSRXKRSA-N 1 0 315.457 4.088 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(C#N)c(F)c1 ZINC000436299372 338267348 /nfs/dbraw/zinc/26/73/48/338267348.db2.gz JYZWDAZXSCLHMP-RCBQFDQVSA-N 1 0 312.363 4.433 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(C#N)c(F)c1 ZINC000436299371 338267417 /nfs/dbraw/zinc/26/74/17/338267417.db2.gz JYZWDAZXSCLHMP-DAXOMENPSA-N 1 0 312.363 4.433 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000436302081 338267580 /nfs/dbraw/zinc/26/75/80/338267580.db2.gz QVYMCCAKXTZREQ-OBHHBEAMSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000436302105 338267631 /nfs/dbraw/zinc/26/76/31/338267631.db2.gz QZRDHTPEZOAJQL-AYBZRNKSSA-N 1 0 303.446 4.106 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000436303503 338267831 /nfs/dbraw/zinc/26/78/31/338267831.db2.gz CQLNAKDKDZKPEK-XWIAVFTESA-N 1 0 309.400 4.233 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000436305972 338268029 /nfs/dbraw/zinc/26/80/29/338268029.db2.gz INOAVGCQSLGRCP-LULLPPNCSA-N 1 0 303.421 4.033 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000436312097 338268581 /nfs/dbraw/zinc/26/85/81/338268581.db2.gz JODYVVLNAWIRGB-AYBZRNKSSA-N 1 0 317.498 4.411 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1F ZINC000436313429 338268624 /nfs/dbraw/zinc/26/86/24/338268624.db2.gz WYFZIFIIWHBRPG-SRCQZFHVSA-N 1 0 312.363 4.433 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CCC)CCc1ccccc1 ZINC000436313941 338268676 /nfs/dbraw/zinc/26/86/76/338268676.db2.gz MNRRJGVDSSWDOR-AABGKKOBSA-N 1 0 301.474 4.359 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000436315803 338268777 /nfs/dbraw/zinc/26/87/77/338268777.db2.gz QFVHULGTZOETKK-SXLOBPIMSA-N 1 0 315.432 4.332 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000437095917 338300659 /nfs/dbraw/zinc/30/06/59/338300659.db2.gz XYJHRTOOVKGHLI-HZMBPMFUSA-N 1 0 302.315 4.325 20 30 DIEDRO CC(C)N(C)c1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000437101998 338301114 /nfs/dbraw/zinc/30/11/14/338301114.db2.gz FJDCVCUSLOGDFO-MRXNPFEDSA-N 1 0 307.441 4.254 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000437151465 338302804 /nfs/dbraw/zinc/30/28/04/338302804.db2.gz GGSOCGWVCMFFML-UHFFFAOYSA-N 1 0 308.372 4.313 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000437790168 338321670 /nfs/dbraw/zinc/32/16/70/338321670.db2.gz XGIHPEQOVSRYKY-IRXDYDNUSA-N 1 0 320.436 4.302 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc2nc(C)ccc2c1 ZINC000437797994 338321881 /nfs/dbraw/zinc/32/18/81/338321881.db2.gz KHEUBFWMTZVJRM-UHFFFAOYSA-N 1 0 306.409 4.367 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000437884678 338324212 /nfs/dbraw/zinc/32/42/12/338324212.db2.gz WZDZVCBATSSICB-MRXNPFEDSA-N 1 0 312.438 4.274 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)C1CC1 ZINC000438992874 338357857 /nfs/dbraw/zinc/35/78/57/338357857.db2.gz UNUIDWHWNXXYFV-GOSISDBHSA-N 1 0 309.457 4.135 20 30 DIEDRO C=CCOCCC[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439322983 338367190 /nfs/dbraw/zinc/36/71/90/338367190.db2.gz QQKLHUVRMPGRDS-UHFFFAOYSA-N 1 0 311.828 4.193 20 30 DIEDRO Cc1cnc([C@@H](NCc2ccc(C#N)cc2Cl)C2CC2)s1 ZINC000439438099 338369473 /nfs/dbraw/zinc/36/94/73/338369473.db2.gz JEXLFPUKNOVCQZ-HNNXBMFYSA-N 1 0 317.845 4.218 20 30 DIEDRO C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)cc1Cl ZINC000439439503 338369550 /nfs/dbraw/zinc/36/95/50/338369550.db2.gz MJGTZFTUDRPUQB-GFCCVEGCSA-N 1 0 300.789 4.110 20 30 DIEDRO COc1ccc([C@H](C)NCc2ccc(C#N)cc2Cl)cc1F ZINC000439445863 338369708 /nfs/dbraw/zinc/36/97/08/338369708.db2.gz YNLDJLJIALTUKP-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCOCc1ccccc1 ZINC000439476554 338370898 /nfs/dbraw/zinc/37/08/98/338370898.db2.gz QYYWJZDOGUMECQ-KRWDZBQOSA-N 1 0 308.425 4.158 20 30 DIEDRO Cc1cccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000439569399 338373284 /nfs/dbraw/zinc/37/32/84/338373284.db2.gz HVMAJXLSLHBPAT-KRWDZBQOSA-N 1 0 319.452 4.186 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000572487148 338386544 /nfs/dbraw/zinc/38/65/44/338386544.db2.gz YHQPRNCRSNAHIA-UHFFFAOYSA-N 1 0 301.390 4.010 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2oc3ccccc3c2C)ccc1C#N ZINC000440650774 338394299 /nfs/dbraw/zinc/39/42/99/338394299.db2.gz VLYNOHSNOREDJG-CQSZACIVSA-N 1 0 320.392 4.472 20 30 DIEDRO CCCCOc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000441378651 338411117 /nfs/dbraw/zinc/41/11/17/338411117.db2.gz NTALYYKRAOBMLX-UHFFFAOYSA-N 1 0 300.446 4.285 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(Br)c1 ZINC000442112648 338421478 /nfs/dbraw/zinc/42/14/78/338421478.db2.gz IANHTJBACVRSGL-HSBZDZAISA-N 1 0 321.262 4.430 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000442717263 338428879 /nfs/dbraw/zinc/42/88/79/338428879.db2.gz NLISBXZKIDQKGB-WIYYLYMNSA-N 1 0 320.436 4.185 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000442722160 338429136 /nfs/dbraw/zinc/42/91/36/338429136.db2.gz UUBVTWQVOOXNQB-WFASDCNBSA-N 1 0 321.262 4.009 20 30 DIEDRO COc1ccc(-c2csc(C[NH2+][C@@H]3CC[C@H](C#N)C3)c2)cc1 ZINC000442780138 338430778 /nfs/dbraw/zinc/43/07/78/338430778.db2.gz FTBMSMHTNSDFLW-XJKSGUPXSA-N 1 0 312.438 4.206 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(C#N)c(F)c1 ZINC000442806792 338432732 /nfs/dbraw/zinc/43/27/32/338432732.db2.gz CLHICMATSCHSBY-CYBMUJFWSA-N 1 0 307.372 4.072 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000442847726 338434354 /nfs/dbraw/zinc/43/43/54/338434354.db2.gz LTUCFGBIZQOHDR-HIFRSBDPSA-N 1 0 303.475 4.015 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000442854026 338434945 /nfs/dbraw/zinc/43/49/45/338434945.db2.gz VPHVNDGCTMDLAY-DDTOSNHZSA-N 1 0 300.299 4.101 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000442861263 338435641 /nfs/dbraw/zinc/43/56/41/338435641.db2.gz TVSWAIDJEZMIPQ-MZGVZZPPSA-N 1 0 308.347 4.233 20 30 DIEDRO CCC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OC)cc1 ZINC000442868327 338436418 /nfs/dbraw/zinc/43/64/18/338436418.db2.gz QHLGUDVPDRQBDH-RJYAGPCLSA-N 1 0 300.446 4.456 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC000442870269 338436683 /nfs/dbraw/zinc/43/66/83/338436683.db2.gz UWJPAEIGSRFANQ-QFBILLFUSA-N 1 0 306.409 4.144 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000442873178 338436935 /nfs/dbraw/zinc/43/69/35/338436935.db2.gz QPNSLOVHLYWBPV-ZUEPYMLJSA-N 1 0 304.434 4.282 20 30 DIEDRO COc1ccccc1[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442876708 338437407 /nfs/dbraw/zinc/43/74/07/338437407.db2.gz QECAZRGROQEHJF-OXFYSEKESA-N 1 0 306.409 4.066 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000442887142 338438388 /nfs/dbraw/zinc/43/83/88/338438388.db2.gz UEOSZZPXQRQPJP-CQSZACIVSA-N 1 0 306.365 4.034 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000446904591 338540169 /nfs/dbraw/zinc/54/01/69/338540169.db2.gz NCQHZQYDVSUGSF-JMSVASOKSA-N 1 0 307.235 4.182 20 30 DIEDRO CC[C@H]([NH2+]CCc1csc(C(C)C)n1)c1ccc(C#N)cc1 ZINC000447532425 338554566 /nfs/dbraw/zinc/55/45/66/338554566.db2.gz VZOLNQVNOJLRPU-KRWDZBQOSA-N 1 0 313.470 4.422 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(C#N)cc1 ZINC000447533928 338554940 /nfs/dbraw/zinc/55/49/40/338554940.db2.gz ZJDOVJWBBXVZBD-LJQANCHMSA-N 1 0 301.393 4.347 20 30 DIEDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000447569720 338557693 /nfs/dbraw/zinc/55/76/93/338557693.db2.gz QHOUUFIPPFPWKG-LIRRHRJNSA-N 1 0 312.388 4.126 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(C#N)cc1 ZINC000447576291 338558290 /nfs/dbraw/zinc/55/82/90/338558290.db2.gz XPTFMTGGRZCGJS-WOZUAGRISA-N 1 0 302.421 4.185 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccc(C#N)cc1 ZINC000447582358 338559148 /nfs/dbraw/zinc/55/91/48/338559148.db2.gz ZECXBUFRABLXDR-QGZVFWFLSA-N 1 0 300.352 4.120 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000447585638 338559370 /nfs/dbraw/zinc/55/93/70/338559370.db2.gz LBQYIGNOLIDNTD-WMLDXEAASA-N 1 0 313.397 4.424 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000447585639 338559460 /nfs/dbraw/zinc/55/94/60/338559460.db2.gz LBQYIGNOLIDNTD-YOEHRIQHSA-N 1 0 313.397 4.424 20 30 DIEDRO CC[C@@H]([NH2+]CCC1CCC(OC)CC1)c1ccc(C#N)cc1 ZINC000447603602 338561667 /nfs/dbraw/zinc/56/16/67/338561667.db2.gz XDJLULUKMANMSW-XUJQIHCRSA-N 1 0 300.446 4.194 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000449056454 338589012 /nfs/dbraw/zinc/58/90/12/338589012.db2.gz PNZMLORXZPVZCD-QAPCUYQASA-N 1 0 315.436 4.373 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000449066533 338590046 /nfs/dbraw/zinc/59/00/46/338590046.db2.gz CNZRIRWHWXRVCE-GULBITTBSA-N 1 0 304.434 4.425 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1OC ZINC000449079890 338591442 /nfs/dbraw/zinc/59/14/42/338591442.db2.gz QVDLJDMQLFKSGT-XVTSOASTSA-N 1 0 316.445 4.135 20 30 DIEDRO CCCCOc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449093131 338592644 /nfs/dbraw/zinc/59/26/44/338592644.db2.gz VYFAAYSVLSFUAU-UHFFFAOYSA-N 1 0 300.446 4.428 20 30 DIEDRO Cc1cccc(C)c1OCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449095242 338592989 /nfs/dbraw/zinc/59/29/89/338592989.db2.gz XHEUNVVEEMGVNM-UHFFFAOYSA-N 1 0 300.446 4.134 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000449163314 338598164 /nfs/dbraw/zinc/59/81/64/338598164.db2.gz LTNJEYUFIDUCQN-HNNXBMFYSA-N 1 0 315.486 4.472 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000449170089 338598928 /nfs/dbraw/zinc/59/89/28/338598928.db2.gz FNSYRJINRKWHJO-UHFFFAOYSA-N 1 0 315.848 4.426 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)c(OCC2CC2)c1 ZINC000449196274 338601376 /nfs/dbraw/zinc/60/13/76/338601376.db2.gz XCTYDUZAHKZQFF-UHFFFAOYSA-N 1 0 312.457 4.346 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000449207902 338602480 /nfs/dbraw/zinc/60/24/80/338602480.db2.gz ROIDCYSURDTGBS-QLOLRVAOSA-N 1 0 318.848 4.232 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1 ZINC000449222202 338603689 /nfs/dbraw/zinc/60/36/89/338603689.db2.gz VTGNKJCYFXWZBR-QAPCUYQASA-N 1 0 315.436 4.373 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000449255621 338607388 /nfs/dbraw/zinc/60/73/88/338607388.db2.gz FSFFZYRIVCMAHA-HWOWSKLDSA-N 1 0 310.363 4.395 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000449291837 338610077 /nfs/dbraw/zinc/61/00/77/338610077.db2.gz NXBYCAVMQUODHG-TTXORMCVSA-N 1 0 317.380 4.285 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000449444441 338624491 /nfs/dbraw/zinc/62/44/91/338624491.db2.gz AIBMVSXVFXGCKH-PXNSSMCTSA-N 1 0 320.436 4.438 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445332 338624650 /nfs/dbraw/zinc/62/46/50/338624650.db2.gz HYPDZTRZCGUMFM-NOLJZWGESA-N 1 0 321.262 4.052 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccc(Br)cc2)C1 ZINC000449452182 338625727 /nfs/dbraw/zinc/62/57/27/338625727.db2.gz FKXZWSCHSHJNBW-FKFXUJFPSA-N 1 0 319.246 4.134 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000449484442 338629759 /nfs/dbraw/zinc/62/97/59/338629759.db2.gz HEVUMRGKZRCVFK-UHFFFAOYSA-N 1 0 316.470 4.332 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(OC)c2OC)CCCCC1 ZINC000449570845 338638860 /nfs/dbraw/zinc/63/88/60/338638860.db2.gz CJDJIKNZRQKOQB-UHFFFAOYSA-N 1 0 319.445 4.081 20 30 DIEDRO C=CCC1([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCCCC1 ZINC000449576398 338639470 /nfs/dbraw/zinc/63/94/70/338639470.db2.gz SJUPHRLHMTVZOE-HNNXBMFYSA-N 1 0 306.475 4.363 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000449692020 338646648 /nfs/dbraw/zinc/64/66/48/338646648.db2.gz ZQGDCQBFBMUCSS-RDJZCZTQSA-N 1 0 311.454 4.078 20 30 DIEDRO CC(C)N1CCCC[C@@H]1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000451058508 338719910 /nfs/dbraw/zinc/71/99/10/338719910.db2.gz AOOUWSOAPMANKW-WOJBJXKFSA-N 1 0 313.489 4.274 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000451060550 338720085 /nfs/dbraw/zinc/72/00/85/338720085.db2.gz GANIVRQNDPKXCK-SFTDATJTSA-N 1 0 322.452 4.269 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000451871064 338746765 /nfs/dbraw/zinc/74/67/65/338746765.db2.gz QTRGLGGWECADFY-DNVCBOLYSA-N 1 0 305.425 4.180 20 30 DIEDRO Cc1cc([C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2cccnc2)ccc1F ZINC000453296099 338820123 /nfs/dbraw/zinc/82/01/23/338820123.db2.gz TZEKXCCACSELFZ-QSFXBCCZSA-N 1 0 323.415 4.291 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)c1ccc(OC(F)F)cc1 ZINC000453331590 338826148 /nfs/dbraw/zinc/82/61/48/338826148.db2.gz BVZUERBECFDXPA-OAGGEKHMSA-N 1 0 311.372 4.062 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000453365352 338832307 /nfs/dbraw/zinc/83/23/07/338832307.db2.gz RQEDMNCJPWYOCG-BBRMVZONSA-N 1 0 316.470 4.096 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](c2ccccc2)c2cncnc2)CCCC1 ZINC000453377202 338834522 /nfs/dbraw/zinc/83/45/22/338834522.db2.gz PVDXHUDIMQNOKC-IBGZPJMESA-N 1 0 307.441 4.292 20 30 DIEDRO CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1=CCCC1 ZINC000453401609 338838601 /nfs/dbraw/zinc/83/86/01/338838601.db2.gz PIDFFPQDGVRANL-UHFFFAOYSA-N 1 0 323.484 4.253 20 30 DIEDRO C=C[C@H](CC(=O)Nc1cccc(C[NH2+]CC)c1)c1ccccc1 ZINC000457364349 338960412 /nfs/dbraw/zinc/96/04/12/338960412.db2.gz WYGIQCAHIOAZNH-QGZVFWFLSA-N 1 0 308.425 4.095 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459353659 339023978 /nfs/dbraw/zinc/02/39/78/339023978.db2.gz XDPQPEKUTOFBJM-UHFFFAOYSA-N 1 0 324.472 4.458 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000459385702 339026299 /nfs/dbraw/zinc/02/62/99/339026299.db2.gz KFVNELNAFDEJOT-MRXNPFEDSA-N 1 0 323.362 4.268 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459530212 339034155 /nfs/dbraw/zinc/03/41/55/339034155.db2.gz MUFMTYRHCXIWCX-GOSISDBHSA-N 1 0 314.473 4.200 20 30 DIEDRO N#CCSCCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459581924 339037063 /nfs/dbraw/zinc/03/70/63/339037063.db2.gz QSFYMMMZFFRZGY-KRWDZBQOSA-N 1 0 300.471 4.251 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000467414101 339038578 /nfs/dbraw/zinc/03/85/78/339038578.db2.gz QTIZWBYQIQBTJY-JKSUJKDBSA-N 1 0 302.462 4.471 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000459637865 339039780 /nfs/dbraw/zinc/03/97/80/339039780.db2.gz INISEQACLPPLIV-MRXNPFEDSA-N 1 0 312.844 4.088 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000459641293 339039857 /nfs/dbraw/zinc/03/98/57/339039857.db2.gz MDWQDOPDNCOTAH-UHFFFAOYSA-N 1 0 321.262 4.054 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C)c(C)n2)cc1Cl ZINC000459673948 339042349 /nfs/dbraw/zinc/04/23/49/339042349.db2.gz RJIWKQODKZIYIO-UHFFFAOYSA-N 1 0 316.832 4.206 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000459713334 339043934 /nfs/dbraw/zinc/04/39/34/339043934.db2.gz OMLJDEXYRFAADW-UHFFFAOYSA-N 1 0 322.399 4.283 20 30 DIEDRO CC(C)(CC#N)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000459728832 339044770 /nfs/dbraw/zinc/04/47/70/339044770.db2.gz JBROOQFXEIOXEO-UHFFFAOYSA-N 1 0 321.262 4.225 20 30 DIEDRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CC(C)(C)CC#N ZINC000459729638 339044887 /nfs/dbraw/zinc/04/48/87/339044887.db2.gz KLOVQLNPRMUAKX-UHFFFAOYSA-N 1 0 324.472 4.199 20 30 DIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC(C)(C)C1 ZINC000459733498 339045027 /nfs/dbraw/zinc/04/50/27/339045027.db2.gz NRAPOGRHGAWVJI-UHFFFAOYSA-N 1 0 322.456 4.084 20 30 DIEDRO CCC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000459755131 339046509 /nfs/dbraw/zinc/04/65/09/339046509.db2.gz NPXJAOQJQPSKMU-HXUWFJFHSA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000165097745 339052749 /nfs/dbraw/zinc/05/27/49/339052749.db2.gz RYRWQKWJTWWIAW-NSHDSACASA-N 1 0 300.265 4.019 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503427674 339060029 /nfs/dbraw/zinc/06/00/29/339060029.db2.gz DYXBUSZJXALGLG-IRXDYDNUSA-N 1 0 301.478 4.144 20 30 DIEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](CC)CC#N ZINC000462057223 339071553 /nfs/dbraw/zinc/07/15/53/339071553.db2.gz JAHOMQBOFWSQRG-CVEARBPZSA-N 1 0 323.278 4.442 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](C)Oc1ccccc1C ZINC000462735258 339085783 /nfs/dbraw/zinc/08/57/83/339085783.db2.gz OYBCZHPIIALQOT-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)Oc2ccc(C)cc2)cc1 ZINC000462739032 339085990 /nfs/dbraw/zinc/08/59/90/339085990.db2.gz NCDSFUFQUQKYLL-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](C)Cc1cccs1 ZINC000462752612 339086907 /nfs/dbraw/zinc/08/69/07/339086907.db2.gz DRFORWRVBDSEAO-OAHLLOKOSA-N 1 0 301.455 4.281 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2F)c1 ZINC000462756492 339087205 /nfs/dbraw/zinc/08/72/05/339087205.db2.gz NSNAJJJKYWARQC-CQSZACIVSA-N 1 0 317.379 4.423 20 30 DIEDRO N#Cc1ccc(OCC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000462767241 339087597 /nfs/dbraw/zinc/08/75/97/339087597.db2.gz ZKWLGVFHGBWBNN-UHFFFAOYSA-N 1 0 321.207 4.034 20 30 DIEDRO C[C@H]1CCC[N@H+](CCCCNc2c(Cl)cccc2C#N)C1 ZINC000462790321 339088747 /nfs/dbraw/zinc/08/87/47/339088747.db2.gz UOQQYXJQDAEKQQ-AWEZNQCLSA-N 1 0 305.853 4.136 20 30 DIEDRO C[NH+](C)[C@@H](CNc1ccc(F)cc1C#N)c1ccccc1Cl ZINC000462929101 339098256 /nfs/dbraw/zinc/09/82/56/339098256.db2.gz YUVQGPJTIHWRNI-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463007221 339100232 /nfs/dbraw/zinc/10/02/32/339100232.db2.gz GSEDCCNXCCBMEP-OLZOCXBDSA-N 1 0 302.365 4.173 20 30 DIEDRO CC[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)Oc1ccccc1Cl ZINC000463243713 339111611 /nfs/dbraw/zinc/11/16/11/339111611.db2.gz QEVCIDGNLMRZFP-SOUVJXGZSA-N 1 0 306.837 4.169 20 30 DIEDRO CC[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)Oc1ccccc1Cl ZINC000463243710 339111647 /nfs/dbraw/zinc/11/16/47/339111647.db2.gz QEVCIDGNLMRZFP-QLFBSQMISA-N 1 0 306.837 4.169 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000463252674 339112292 /nfs/dbraw/zinc/11/22/92/339112292.db2.gz RZWGLPLKYXUWDA-MRXNPFEDSA-N 1 0 306.881 4.249 20 30 DIEDRO C=CCCCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000463276158 339112820 /nfs/dbraw/zinc/11/28/20/339112820.db2.gz OPOJILQDRGMLHO-UHFFFAOYSA-N 1 0 324.871 4.389 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000463276734 339112934 /nfs/dbraw/zinc/11/29/34/339112934.db2.gz ARTIUOWDVNCGLV-XLIONFOSSA-N 1 0 304.437 4.490 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000463295300 339113764 /nfs/dbraw/zinc/11/37/64/339113764.db2.gz ZODHUJHRKVNQOH-QUCCMNQESA-N 1 0 320.436 4.438 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000463402452 339116712 /nfs/dbraw/zinc/11/67/12/339116712.db2.gz GXJCOTKMHCSQFO-KXBFYZLASA-N 1 0 320.436 4.338 20 30 DIEDRO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](C)OC ZINC000463421195 339117186 /nfs/dbraw/zinc/11/71/86/339117186.db2.gz YDRUBCGGXZNXDJ-MRXNPFEDSA-N 1 0 308.425 4.082 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000463572986 339121813 /nfs/dbraw/zinc/12/18/13/339121813.db2.gz XMVPVXUYYURLBA-BEFAXECRSA-N 1 0 320.436 4.338 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)CC(F)(F)F)ccc1OC ZINC000463714438 339124436 /nfs/dbraw/zinc/12/44/36/339124436.db2.gz BIKHJWAZSVTDFB-LBPRGKRZSA-N 1 0 317.351 4.081 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1cc(C#N)ccc1OC ZINC000464582798 339146063 /nfs/dbraw/zinc/14/60/63/339146063.db2.gz XYMFRKOOHKKHPX-UHFFFAOYSA-N 1 0 314.454 4.083 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCOc2ccccc2C#N)C1 ZINC000464741293 339150706 /nfs/dbraw/zinc/15/07/06/339150706.db2.gz SUQVFMLHFQKION-HNAYVOBHSA-N 1 0 324.399 4.159 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000464743081 339150745 /nfs/dbraw/zinc/15/07/45/339150745.db2.gz YMRDGJCEJODDNX-MGPUTAFESA-N 1 0 324.399 4.159 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)[C@@H](c2ccco2)C1 ZINC000464852786 339157808 /nfs/dbraw/zinc/15/78/08/339157808.db2.gz CDWRZERSECOBRZ-NVXWUHKLSA-N 1 0 310.397 4.003 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2cc(Cl)ccc2Cl)c1 ZINC000466421962 339204005 /nfs/dbraw/zinc/20/40/05/339204005.db2.gz INPFJPIOVSWTAT-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1OC ZINC000466425191 339204389 /nfs/dbraw/zinc/20/43/89/339204389.db2.gz KYAIIDGNPKJBSE-UHFFFAOYSA-N 1 0 323.436 4.296 20 30 DIEDRO CC[N@H+](CCCSCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000466704153 339213472 /nfs/dbraw/zinc/21/34/72/339213472.db2.gz BMHSNHKDMMMNEE-UHFFFAOYSA-N 1 0 317.285 4.462 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CCCSCC#N ZINC000466734473 339214850 /nfs/dbraw/zinc/21/48/50/339214850.db2.gz DJLGGHZNBMMEIS-GOSISDBHSA-N 1 0 304.503 4.285 20 30 DIEDRO N#CC1(C[N@@H+]2CCC[C@@H](Cc3csc4ccccc34)C2)CC1 ZINC000466937407 339222232 /nfs/dbraw/zinc/22/22/32/339222232.db2.gz DDKJRIUHYUKJGO-HNNXBMFYSA-N 1 0 310.466 4.460 20 30 DIEDRO C=CCC[N@@H+](C)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000467288874 339229938 /nfs/dbraw/zinc/22/99/38/339229938.db2.gz LAHHTMCXDZGFLT-GOSISDBHSA-N 1 0 319.408 4.334 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000467300722 339230398 /nfs/dbraw/zinc/23/03/98/339230398.db2.gz HALYQXJXSCGUDJ-UHFFFAOYSA-N 1 0 301.821 4.113 20 30 DIEDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000467312618 339231390 /nfs/dbraw/zinc/23/13/90/339231390.db2.gz GZQCNSSVKQMXST-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000467410924 339237053 /nfs/dbraw/zinc/23/70/53/339237053.db2.gz LVBXGNQXTTVTJD-ZBFHGGJFSA-N 1 0 303.450 4.222 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000467416199 339237402 /nfs/dbraw/zinc/23/74/02/339237402.db2.gz FMSHYZLXGWFYCA-BHYGNILZSA-N 1 0 302.418 4.250 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000467418905 339237659 /nfs/dbraw/zinc/23/76/59/339237659.db2.gz OSYSPUCTRPWGIP-HIFRSBDPSA-N 1 0 308.853 4.310 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(F)cc1Cl ZINC000467428852 339237907 /nfs/dbraw/zinc/23/79/07/339237907.db2.gz JOHSJIWHDKANMA-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000467432508 339238121 /nfs/dbraw/zinc/23/81/21/339238121.db2.gz KZPPKAZIHFUNSN-INIZCTEOSA-N 1 0 308.425 4.239 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1cccc(C#N)c1 ZINC000467432913 339238201 /nfs/dbraw/zinc/23/82/01/339238201.db2.gz NKYYEROPCSSOHI-FQEVSTJZSA-N 1 0 310.416 4.097 20 30 DIEDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCc1cccc(C#N)c1)CCCO2 ZINC000467435706 339238442 /nfs/dbraw/zinc/23/84/42/339238442.db2.gz ZHCZHVLTPJIBEO-FQEVSTJZSA-N 1 0 320.436 4.221 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000467439021 339238546 /nfs/dbraw/zinc/23/85/46/339238546.db2.gz KBJBBGLEZLWROJ-NRFANRHFSA-N 1 0 320.411 4.466 20 30 DIEDRO CC1(C)[C@@H]([NH2+]CCc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000467443050 339238941 /nfs/dbraw/zinc/23/89/41/339238941.db2.gz AVVLIDCFKSVZEY-PMACEKPBSA-N 1 0 304.437 4.273 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cc(C)ccc1OC ZINC000467447812 339239216 /nfs/dbraw/zinc/23/92/16/339239216.db2.gz JATCDYSHDIRJAT-LJQANCHMSA-N 1 0 308.425 4.159 20 30 DIEDRO Cc1cccc(C[C@H]([NH2+]CCc2cccc(C#N)c2)C2CC2)c1 ZINC000467449165 339239321 /nfs/dbraw/zinc/23/93/21/339239321.db2.gz OGXFKIIBPBAJAO-NRFANRHFSA-N 1 0 304.437 4.020 20 30 DIEDRO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCc1cccc(C#N)c1 ZINC000467449868 339239406 /nfs/dbraw/zinc/23/94/06/339239406.db2.gz MAXIHMXEEOMCNK-CYBMUJFWSA-N 1 0 318.873 4.427 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000467456484 339239728 /nfs/dbraw/zinc/23/97/28/339239728.db2.gz ULRLKQPHDMAAEV-LJQANCHMSA-N 1 0 314.379 4.366 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000467456079 339239803 /nfs/dbraw/zinc/23/98/03/339239803.db2.gz TVVQQOYZWPKQDL-NHCUHLMSSA-N 1 0 304.437 4.201 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000467849543 339247655 /nfs/dbraw/zinc/24/76/55/339247655.db2.gz GXGGRTHEVSGUDC-INIZCTEOSA-N 1 0 300.490 4.285 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468270791 339258272 /nfs/dbraw/zinc/25/82/72/339258272.db2.gz QICCBSKYJAGZTH-CXAGYDPISA-N 1 0 312.363 4.214 20 30 DIEDRO N#Cc1cc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)ccc1F ZINC000468287538 339258989 /nfs/dbraw/zinc/25/89/89/339258989.db2.gz QUDTXFQAZXVRMC-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000468366288 339260684 /nfs/dbraw/zinc/26/06/84/339260684.db2.gz FEKJXATYYGTAEB-FPOVZHCZSA-N 1 0 312.501 4.028 20 30 DIEDRO C[C@H]1C[C@H](Nc2ccc(CC#N)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000468476968 339263778 /nfs/dbraw/zinc/26/37/78/339263778.db2.gz YTYORSIFGMCFGQ-UWJYYQICSA-N 1 0 319.452 4.075 20 30 DIEDRO C[C@H]1C[C@@H](Nc2ccc(CC#N)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000468476966 339263794 /nfs/dbraw/zinc/26/37/94/339263794.db2.gz YTYORSIFGMCFGQ-LAUBAEHRSA-N 1 0 319.452 4.075 20 30 DIEDRO CC[NH+](CC)Cc1ccc(NCc2ccc(C#N)cc2F)cc1 ZINC000468807285 339271375 /nfs/dbraw/zinc/27/13/75/339271375.db2.gz CMPLBQPMXRAARI-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000469762671 339298006 /nfs/dbraw/zinc/29/80/06/339298006.db2.gz YQUVESOBXCWYGA-HRAATJIYSA-N 1 0 320.436 4.445 20 30 DIEDRO CC(C)C[N@H+](CCCC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000469921228 339304727 /nfs/dbraw/zinc/30/47/27/339304727.db2.gz VKFPEONHQJTBNC-UHFFFAOYSA-N 1 0 314.473 4.223 20 30 DIEDRO C=CCOCCC[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000470727215 339326359 /nfs/dbraw/zinc/32/63/59/339326359.db2.gz RCGQAYYZORVKDE-CYBMUJFWSA-N 1 0 301.352 4.291 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000470763254 339327166 /nfs/dbraw/zinc/32/71/66/339327166.db2.gz CIDKYOIFBOIAEE-UONOGXRCSA-N 1 0 315.379 4.380 20 30 DIEDRO C=CCOCCC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000470765990 339327217 /nfs/dbraw/zinc/32/72/17/339327217.db2.gz OSZYDJAREBJXLH-UHFFFAOYSA-N 1 0 300.229 4.165 20 30 DIEDRO C=CCOCCC[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000470873192 339329863 /nfs/dbraw/zinc/32/98/63/339329863.db2.gz MULMZLRFANMHIW-UHFFFAOYSA-N 1 0 317.351 4.003 20 30 DIEDRO CC[C@H](c1ccccc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000471146157 339338536 /nfs/dbraw/zinc/33/85/36/339338536.db2.gz WEZAHJMHIDXABU-NHCUHLMSSA-N 1 0 319.452 4.020 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2ccc(F)cc2)cc1 ZINC000471590741 339348373 /nfs/dbraw/zinc/34/83/73/339348373.db2.gz OGACHRFKYOGMAS-ADLFWFRXSA-N 1 0 324.399 4.206 20 30 DIEDRO C=CCCCC[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000472072091 339362420 /nfs/dbraw/zinc/36/24/20/339362420.db2.gz GQVAWJQSEUBNPK-UHFFFAOYSA-N 1 0 302.443 4.168 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000472152533 339364483 /nfs/dbraw/zinc/36/44/83/339364483.db2.gz HDVVPJOVHLDETA-QFBILLFUSA-N 1 0 324.399 4.187 20 30 DIEDRO CC1CCC([N@H+](CCCC(C)(C)C#N)C[C@H]2CCCO2)CC1 ZINC000472229162 339366595 /nfs/dbraw/zinc/36/65/95/339366595.db2.gz ANWDJXPYDWOYNK-DAWZGUTISA-N 1 0 306.494 4.376 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCCC(C)(C)C#N ZINC000472429983 339371640 /nfs/dbraw/zinc/37/16/40/339371640.db2.gz JMISGMMNSCTJLH-GOSISDBHSA-N 1 0 300.446 4.334 20 30 DIEDRO C[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000472579924 339374225 /nfs/dbraw/zinc/37/42/25/339374225.db2.gz JPLBRXBWBOPURJ-GOSISDBHSA-N 1 0 304.437 4.228 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cc2cccc(F)c2o1 ZINC000474000298 339396790 /nfs/dbraw/zinc/39/67/90/339396790.db2.gz MEMIHKYLSRXXTK-SNVBAGLBSA-N 1 0 300.358 4.356 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCC12CCCC2 ZINC000474043011 339398724 /nfs/dbraw/zinc/39/87/24/339398724.db2.gz YUBLWTKOMFIAFB-KRWDZBQOSA-N 1 0 300.471 4.104 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000474055093 339399520 /nfs/dbraw/zinc/39/95/20/339399520.db2.gz GRQTUACHZHHWMZ-MRXNPFEDSA-N 1 0 307.359 4.369 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000474055086 339399536 /nfs/dbraw/zinc/39/95/36/339399536.db2.gz GRQTUACHZHHWMZ-INIZCTEOSA-N 1 0 307.359 4.369 20 30 DIEDRO C=CCN1CCC([NH2+]C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474713521 339423342 /nfs/dbraw/zinc/42/33/42/339423342.db2.gz XVOPNKCHVFUISL-IBGZPJMESA-N 1 0 300.490 4.056 20 30 DIEDRO C=CCCC1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000475120931 339439265 /nfs/dbraw/zinc/43/92/65/339439265.db2.gz PPASKMRYNQZDGE-UHFFFAOYSA-N 1 0 312.457 4.010 20 30 DIEDRO Cc1cc(CNc2ccc(C[NH+](C)C)c(Cl)c2)ccc1C#N ZINC000475563186 339455483 /nfs/dbraw/zinc/45/54/83/339455483.db2.gz VBJRPRZHPJMSJS-UHFFFAOYSA-N 1 0 313.832 4.194 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475565715 339455662 /nfs/dbraw/zinc/45/56/62/339455662.db2.gz MFRSXYZBBPHOEY-QAPCUYQASA-N 1 0 312.363 4.262 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000477336677 339492725 /nfs/dbraw/zinc/49/27/25/339492725.db2.gz IMYLJYCXQGPXRI-NHCUHLMSSA-N 1 0 304.437 4.449 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCc2ccc(F)c(F)c2)s1 ZINC000479399194 339533148 /nfs/dbraw/zinc/53/31/48/339533148.db2.gz VASUVAGEEOENTH-UHFFFAOYSA-N 1 0 306.381 4.010 20 30 DIEDRO C=CCCCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000479548322 339540451 /nfs/dbraw/zinc/54/04/51/339540451.db2.gz CRFVCRRFALDDSG-UHFFFAOYSA-N 1 0 300.446 4.357 20 30 DIEDRO Cn1cc(C[NH2+][C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)cc1C#N ZINC000480309715 339568549 /nfs/dbraw/zinc/56/85/49/339568549.db2.gz LZQSNFJUQWHKJE-BEFAXECRSA-N 1 0 319.452 4.286 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000480667941 339582116 /nfs/dbraw/zinc/58/21/16/339582116.db2.gz SANWPAJLRNOOGF-FZKQIMNGSA-N 1 0 309.400 4.377 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)ccc1C ZINC000481645014 339608567 /nfs/dbraw/zinc/60/85/67/339608567.db2.gz MSNYKBSRIJJYEO-HXUWFJFHSA-N 1 0 320.436 4.433 20 30 DIEDRO COc1cc(C)ccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481666373 339609204 /nfs/dbraw/zinc/60/92/04/339609204.db2.gz GVWMJKMTMQJOTP-HXUWFJFHSA-N 1 0 320.436 4.433 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(CCC)cc2)CC1 ZINC000482647536 339638875 /nfs/dbraw/zinc/63/88/75/339638875.db2.gz KNVLYKKYMFMVOE-KRWDZBQOSA-N 1 0 300.490 4.330 20 30 DIEDRO Cc1ccccc1[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000482857341 339644472 /nfs/dbraw/zinc/64/44/72/339644472.db2.gz MDDGCNUZSZCSFB-KRWDZBQOSA-N 1 0 320.436 4.471 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc2ncsc2c1 ZINC000485803523 339713159 /nfs/dbraw/zinc/71/31/59/339713159.db2.gz OQAKQNYWBXITTO-LLVKDONJSA-N 1 0 311.385 4.158 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(C)c2)C2CC2)cc1 ZINC000488133765 339771464 /nfs/dbraw/zinc/77/14/64/339771464.db2.gz CBTZPQSRVYJUNA-FQEVSTJZSA-N 1 0 306.409 4.116 20 30 DIEDRO C=CCCCCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000488218118 339773579 /nfs/dbraw/zinc/77/35/79/339773579.db2.gz PIGZPQXFTFYFKV-UHFFFAOYSA-N 1 0 318.436 4.223 20 30 DIEDRO C=CCC(C)(C)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000489704492 339816548 /nfs/dbraw/zinc/81/65/48/339816548.db2.gz OZVRRNZFVZWPBH-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000493552051 339928120 /nfs/dbraw/zinc/92/81/20/339928120.db2.gz SYRABSYKLWLCAY-LEWJYISDSA-N 1 0 304.437 4.254 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000493962738 339937525 /nfs/dbraw/zinc/93/75/25/339937525.db2.gz WBNVXFBHWBGBNN-OXQOHEQNSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCC[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000494903689 339964158 /nfs/dbraw/zinc/96/41/58/339964158.db2.gz OHPYAILOPYPLSY-FQEVSTJZSA-N 1 0 322.452 4.437 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1C ZINC000499055146 340028724 /nfs/dbraw/zinc/02/87/24/340028724.db2.gz ULWNZZKTRVHMRK-UHFFFAOYSA-N 1 0 317.454 4.262 20 30 DIEDRO CCC[C@H]([NH2+]CCCC1(C#N)CCOCC1)C1CCCCC1 ZINC000499610866 340040906 /nfs/dbraw/zinc/04/09/06/340040906.db2.gz LTPCYJRFOJMWFY-SFHVURJKSA-N 1 0 306.494 4.426 20 30 DIEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499697946 340042916 /nfs/dbraw/zinc/04/29/16/340042916.db2.gz WKZZLLUNPHGITF-QZTJIDSGSA-N 1 0 306.494 4.281 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CCCC2(C#N)CCOCC2)CCCC1(C)C ZINC000499730362 340043592 /nfs/dbraw/zinc/04/35/92/340043592.db2.gz FUBVASPLJPEODR-KRWDZBQOSA-N 1 0 304.478 4.154 20 30 DIEDRO COc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000499990553 340048225 /nfs/dbraw/zinc/04/82/25/340048225.db2.gz VOBBASSPHHFHFB-UHFFFAOYSA-N 1 0 320.436 4.189 20 30 DIEDRO COc1ccccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500019127 340048665 /nfs/dbraw/zinc/04/86/65/340048665.db2.gz WMLFYMSOGWHNDV-UHFFFAOYSA-N 1 0 320.436 4.189 20 30 DIEDRO C=CC[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500129057 340050838 /nfs/dbraw/zinc/05/08/38/340050838.db2.gz KISWLXJNTNMMMT-UHFFFAOYSA-N 1 0 303.299 4.032 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2nc3ccccc3s2)c1 ZINC000500143768 340051208 /nfs/dbraw/zinc/05/12/08/340051208.db2.gz ZOOVJXROIQGHEY-UHFFFAOYSA-N 1 0 324.449 4.193 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)cc(OC)c1O ZINC000500156583 340051580 /nfs/dbraw/zinc/05/15/80/340051580.db2.gz MHVHQOLXNBXHGD-CABCVRRESA-N 1 0 303.446 4.045 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]CCOc2cccc(C#N)c2)cc1 ZINC000500245963 340053938 /nfs/dbraw/zinc/05/39/38/340053938.db2.gz OPVOJHUEQQGHHQ-AWEZNQCLSA-N 1 0 312.438 4.010 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CC)cc(OC)c1O ZINC000500266839 340054279 /nfs/dbraw/zinc/05/42/79/340054279.db2.gz RAXCGONXFZCXJQ-DOTOQJQBSA-N 1 0 303.446 4.188 20 30 DIEDRO C[C@@H]1C[C@]1([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000500397129 340056642 /nfs/dbraw/zinc/05/66/42/340056642.db2.gz LILWCBUZSLFIDO-BDJLRTHQSA-N 1 0 302.830 4.298 20 30 DIEDRO CC(C)(C[NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1Cl ZINC000500888328 340069334 /nfs/dbraw/zinc/06/93/34/340069334.db2.gz AYXDQYDWHLSOIC-UHFFFAOYSA-N 1 0 316.807 4.418 20 30 DIEDRO C[C@@H](C#N)C[N@H+](C[C@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000501027208 340072470 /nfs/dbraw/zinc/07/24/70/340072470.db2.gz FILBVVVTTDJJTF-STQMWFEESA-N 1 0 310.363 4.433 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000501269926 340077661 /nfs/dbraw/zinc/07/76/61/340077661.db2.gz SBMDDCBPHFJKPF-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO C[C@H]1CC[N@H+](CC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000501529100 340082850 /nfs/dbraw/zinc/08/28/50/340082850.db2.gz CZVZVIZHFQUUPB-WFASDCNBSA-N 1 0 308.347 4.392 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H]1CCC[C@H]1CCOC)c1ccc(F)c(F)c1 ZINC000502427733 340102970 /nfs/dbraw/zinc/10/29/70/340102970.db2.gz BTSJTNAKRNYVOX-KKXDTOCCSA-N 1 0 309.400 4.377 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000502551290 340107441 /nfs/dbraw/zinc/10/74/41/340107441.db2.gz MXTGBDZRDKLXSH-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO CC[C@H]1C[C@]1([NH2+]Cc1cc(C#N)ccc1F)c1cccc(C)c1 ZINC000502560391 340107733 /nfs/dbraw/zinc/10/77/33/340107733.db2.gz QCQHICKRCWMTNX-FXAWDEMLSA-N 1 0 308.400 4.421 20 30 DIEDRO CCC[N@H+](CCC(C)(C)C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502908219 340116378 /nfs/dbraw/zinc/11/63/78/340116378.db2.gz ATSXKCRQQAZHML-INIZCTEOSA-N 1 0 315.461 4.056 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503006084 340118594 /nfs/dbraw/zinc/11/85/94/340118594.db2.gz RMXONTAPIKUHIT-WOJBJXKFSA-N 1 0 322.477 4.185 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503427671 340128083 /nfs/dbraw/zinc/12/80/83/340128083.db2.gz DYXBUSZJXALGLG-DLBZAZTESA-N 1 0 301.478 4.144 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1)C1CC1 ZINC000503911071 340136630 /nfs/dbraw/zinc/13/66/30/340136630.db2.gz OAEUUBOBQGOSEO-BQFCYCMXSA-N 1 0 303.421 4.415 20 30 DIEDRO C=C(C)COc1cc(C[N@H+](C)Cc2cccs2)ccc1OC ZINC000505602742 340172459 /nfs/dbraw/zinc/17/24/59/340172459.db2.gz PAPRXSKYCZEKET-UHFFFAOYSA-N 1 0 317.454 4.344 20 30 DIEDRO C=CCc1cc(C[N@H+](C)Cc2ccc(C)cc2)cc(OC)c1O ZINC000505603324 340172579 /nfs/dbraw/zinc/17/25/79/340172579.db2.gz COFSRNFDSLRTBG-UHFFFAOYSA-N 1 0 311.425 4.070 20 30 DIEDRO COc1cccc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000505667388 340174778 /nfs/dbraw/zinc/17/47/78/340174778.db2.gz ZMGLXAOCDRHBPQ-UHFFFAOYSA-N 1 0 324.424 4.010 20 30 DIEDRO Cc1ccc(Cl)cc1N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000505752224 340176635 /nfs/dbraw/zinc/17/66/35/340176635.db2.gz ZGMZELCRIGOMAX-UHFFFAOYSA-N 1 0 319.880 4.100 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505867377 340180114 /nfs/dbraw/zinc/18/01/14/340180114.db2.gz BQXMETKNDGIOTO-AEFFLSMTSA-N 1 0 306.409 4.020 20 30 DIEDRO C=CCc1cc(C[N@H+](CC)Cc2cccs2)cc(OC)c1O ZINC000506021021 340183527 /nfs/dbraw/zinc/18/35/27/340183527.db2.gz GLZMOKPCOPFNSK-UHFFFAOYSA-N 1 0 317.454 4.213 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](Cc2ccncc2)C(C)(C)C)cc1 ZINC000506050711 340184364 /nfs/dbraw/zinc/18/43/64/340184364.db2.gz FTFZBLMUMVAKKM-UHFFFAOYSA-N 1 0 310.441 4.447 20 30 DIEDRO CC(C)(C)c1cccc(OCC[NH2+]Cc2cccc(C#N)c2)c1 ZINC000506284265 340191129 /nfs/dbraw/zinc/19/11/29/340191129.db2.gz MOWNMPDGUUFDFT-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO N#Cc1ccc(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)o1 ZINC000506393854 340193982 /nfs/dbraw/zinc/19/39/82/340193982.db2.gz HCLFJKPRMNGOOX-NRFANRHFSA-N 1 0 314.388 4.299 20 30 DIEDRO CCC1CCC([N@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)CC1 ZINC000506570596 340197004 /nfs/dbraw/zinc/19/70/04/340197004.db2.gz MOKVOIDAMABZAV-UHFFFAOYSA-N 1 0 322.456 4.139 20 30 DIEDRO CSc1cccc(F)c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000506629797 340198075 /nfs/dbraw/zinc/19/80/75/340198075.db2.gz GADYYIUCIZCRJV-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1C ZINC000507152727 340209870 /nfs/dbraw/zinc/20/98/70/340209870.db2.gz YSNUYWQVDLUGIN-UHFFFAOYSA-N 1 0 308.425 4.286 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507157695 340209987 /nfs/dbraw/zinc/20/99/87/340209987.db2.gz BQISEPIHUAQMRI-FQEVSTJZSA-N 1 0 306.409 4.076 20 30 DIEDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000507184662 340211736 /nfs/dbraw/zinc/21/17/36/340211736.db2.gz WMJWUUJGIVSBGU-KRWDZBQOSA-N 1 0 315.420 4.109 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507189115 340211924 /nfs/dbraw/zinc/21/19/24/340211924.db2.gz INCAGIFUWYCHNV-SFQUDFHCSA-N 1 0 320.436 4.240 20 30 DIEDRO CC[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000507222887 340214475 /nfs/dbraw/zinc/21/44/75/340214475.db2.gz XHKYWXJLXFRAAR-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO CC[C@@H](C)N(Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000507333766 340217423 /nfs/dbraw/zinc/21/74/23/340217423.db2.gz FAQOBRJADTXQOS-MRXNPFEDSA-N 1 0 303.409 4.231 20 30 DIEDRO CC[C@H](C)N(Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000507333764 340217490 /nfs/dbraw/zinc/21/74/90/340217490.db2.gz FAQOBRJADTXQOS-INIZCTEOSA-N 1 0 303.409 4.231 20 30 DIEDRO COc1ccccc1-c1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000507691924 340228429 /nfs/dbraw/zinc/22/84/29/340228429.db2.gz RUEUOIPMNPSASP-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000507716142 340229294 /nfs/dbraw/zinc/22/92/94/340229294.db2.gz UEAUEHVUWDFDJK-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO COc1ccsc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000507731607 340229729 /nfs/dbraw/zinc/22/97/29/340229729.db2.gz KBLBDOXRWGTLDM-UHFFFAOYSA-N 1 0 314.454 4.287 20 30 DIEDRO CC[C@@H]1C[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)CCO1 ZINC000507796758 340231867 /nfs/dbraw/zinc/23/18/67/340231867.db2.gz QGXZKILDXQKLOA-VQTJNVASSA-N 1 0 314.473 4.221 20 30 DIEDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507807926 340232464 /nfs/dbraw/zinc/23/24/64/340232464.db2.gz QKQSELYVVSGGII-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000507820806 340233189 /nfs/dbraw/zinc/23/31/89/340233189.db2.gz IXWZYBGYRULURG-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO C=C(C)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000507949454 340236418 /nfs/dbraw/zinc/23/64/18/340236418.db2.gz HNJJEKZNPARUSU-AWEZNQCLSA-N 1 0 317.820 4.146 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccccc1 ZINC000508530472 340245782 /nfs/dbraw/zinc/24/57/82/340245782.db2.gz HWHFMZZUJOAOPE-UHFFFAOYSA-N 1 0 309.438 4.326 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508604385 340247754 /nfs/dbraw/zinc/24/77/54/340247754.db2.gz MFQRPSZPSJXZIF-MRXNPFEDSA-N 1 0 308.425 4.458 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000508627847 340248846 /nfs/dbraw/zinc/24/88/46/340248846.db2.gz CURDXHCZSAULLW-UHFFFAOYSA-N 1 0 322.452 4.101 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000086584630 340252626 /nfs/dbraw/zinc/25/26/26/340252626.db2.gz PENMRELJUSZVIT-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C[C@@H](C#N)C[N@H+](CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000508975309 340256729 /nfs/dbraw/zinc/25/67/29/340256729.db2.gz BCELBAIBRPJYEK-KRWDZBQOSA-N 1 0 304.437 4.443 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000509348253 340266864 /nfs/dbraw/zinc/26/68/64/340266864.db2.gz MENICWJUUUONJW-OAHLLOKOSA-N 1 0 315.392 4.021 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000509347996 340266879 /nfs/dbraw/zinc/26/68/79/340266879.db2.gz IMHXJBUXKPRHBU-HNNXBMFYSA-N 1 0 315.392 4.021 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)o1 ZINC000509379189 340267856 /nfs/dbraw/zinc/26/78/56/340267856.db2.gz MTCFNLYGZHZHSO-LBPRGKRZSA-N 1 0 318.779 4.151 20 30 DIEDRO CCOc1ccc(C2=CC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000509456716 340270127 /nfs/dbraw/zinc/27/01/27/340270127.db2.gz YOEFOVCZKSQBIJ-UHFFFAOYSA-N 1 0 318.420 4.246 20 30 DIEDRO CCN(Cc1ccc(OC)c(OCCC(C)C)c1)C[C@H](C)C#N ZINC000509767133 340278619 /nfs/dbraw/zinc/27/86/19/340278619.db2.gz RYMJZKVHWGKDSV-MRXNPFEDSA-N 1 0 318.461 4.102 20 30 DIEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](C)c1cccc(Br)c1 ZINC000509776201 340278884 /nfs/dbraw/zinc/27/88/84/340278884.db2.gz XRUQGLXOIMOPGY-CHWSQXEVSA-N 1 0 309.251 4.034 20 30 DIEDRO CCN(Cc1ccc(-c2cccc(F)c2C)o1)C[C@H](C)C#N ZINC000509799045 340279340 /nfs/dbraw/zinc/27/93/40/340279340.db2.gz LTXXWHOVAFVCJR-CYBMUJFWSA-N 1 0 300.377 4.376 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000509796913 340279381 /nfs/dbraw/zinc/27/93/81/340279381.db2.gz DUFDAORHXBFKEZ-WBILKINKSA-N 1 0 320.436 4.459 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@H+](CCCSCC#N)CC1 ZINC000510079529 340287699 /nfs/dbraw/zinc/28/76/99/340287699.db2.gz OEHWHWDJEVUWEI-SFHVURJKSA-N 1 0 302.487 4.077 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000510392966 340297851 /nfs/dbraw/zinc/29/78/51/340297851.db2.gz GFKCGSVGTBVWHA-UHFFFAOYSA-N 1 0 314.429 4.214 20 30 DIEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cc(C#N)cs1 ZINC000510470344 340300545 /nfs/dbraw/zinc/30/05/45/340300545.db2.gz UTJTXSGIJWWCCS-UHFFFAOYSA-N 1 0 320.845 4.174 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1ccc(C#N)cc1F)c1ccsc1 ZINC000303160821 340307572 /nfs/dbraw/zinc/30/75/72/340307572.db2.gz TWXWMCYTZQEVDZ-QGZVFWFLSA-N 1 0 317.433 4.254 20 30 DIEDRO C=C(C)CC[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000510815814 340311895 /nfs/dbraw/zinc/31/18/95/340311895.db2.gz WSZNZPPHDBUAJJ-AWEZNQCLSA-N 1 0 310.235 4.171 20 30 DIEDRO C[C@H](C[NH+]1CCC(F)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000510886198 340313832 /nfs/dbraw/zinc/31/38/32/340313832.db2.gz AYKPDKQAHMTHCL-GFCCVEGCSA-N 1 0 314.326 4.137 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000510942701 340315731 /nfs/dbraw/zinc/31/57/31/340315731.db2.gz FGCPRHFKSVWNPB-SJLPKXTDSA-N 1 0 315.461 4.017 20 30 DIEDRO Cc1cccc(C)c1OCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000303440261 340325419 /nfs/dbraw/zinc/32/54/19/340325419.db2.gz APYFKJNAOMCXBE-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000511650172 340334042 /nfs/dbraw/zinc/33/40/42/340334042.db2.gz VGKUDUPBOQAZOH-VCWRXUFXSA-N 1 0 324.468 4.380 20 30 DIEDRO COc1c(C)cc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1C ZINC000303680839 340342518 /nfs/dbraw/zinc/34/25/18/340342518.db2.gz IZSVVXCIZHHTKI-INIZCTEOSA-N 1 0 308.425 4.377 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000512058755 340347106 /nfs/dbraw/zinc/34/71/06/340347106.db2.gz OYOWOEOAEADUNH-LLVKDONJSA-N 1 0 318.280 4.062 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(SC)cc1 ZINC000512167873 340350583 /nfs/dbraw/zinc/35/05/83/340350583.db2.gz ROQGHSUVMGBPDL-UHFFFAOYSA-N 1 0 317.454 4.072 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(Cl)s1 ZINC000512182428 340351256 /nfs/dbraw/zinc/35/12/56/340351256.db2.gz RYKLNZXYYYBTCC-UHFFFAOYSA-N 1 0 311.834 4.065 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC(C)(C)c2cccs2)c1 ZINC000512240478 340353516 /nfs/dbraw/zinc/35/35/16/340353516.db2.gz AWCJPTJMLXXVML-UHFFFAOYSA-N 1 0 301.455 4.380 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512281061 340355256 /nfs/dbraw/zinc/35/52/56/340355256.db2.gz IRLVHOVWOFLYMW-AWEZNQCLSA-N 1 0 311.404 4.241 20 30 DIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2[nH]ccc21 ZINC000512380198 340359655 /nfs/dbraw/zinc/35/96/55/340359655.db2.gz XQPUUFPGTFELBG-UHFFFAOYSA-N 1 0 321.380 4.264 20 30 DIEDRO N#Cc1cccc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1F ZINC000512415100 340361095 /nfs/dbraw/zinc/36/10/95/340361095.db2.gz JJZIHZRJNKWPQR-UHFFFAOYSA-N 1 0 312.363 4.249 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1cccc(C#N)c1 ZINC000512507440 340364588 /nfs/dbraw/zinc/36/45/88/340364588.db2.gz ZQWZVAJQPFHOJS-QGZVFWFLSA-N 1 0 322.456 4.475 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C/C=C\c2ccccc2OC)cc1 ZINC000512577870 340367683 /nfs/dbraw/zinc/36/76/83/340367683.db2.gz LKWMUQYPPNKNGD-VURMDHGXSA-N 1 0 309.409 4.063 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C/C=C/c2ccccc2OC)cc1 ZINC000512577869 340367715 /nfs/dbraw/zinc/36/77/15/340367715.db2.gz LKWMUQYPPNKNGD-SOFGYWHQSA-N 1 0 309.409 4.063 20 30 DIEDRO C[C@@H](NCc1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC000512623228 340369469 /nfs/dbraw/zinc/36/94/69/340369469.db2.gz DRVPSMSIRLAGQW-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000512629636 340370089 /nfs/dbraw/zinc/37/00/89/340370089.db2.gz JPJOSTSIOTUWPV-JCKWVBRZSA-N 1 0 318.436 4.189 20 30 DIEDRO CC(C)c1nc(CC[NH2+][C@H](C)c2ccc(C#N)cc2F)cs1 ZINC000512637359 340370315 /nfs/dbraw/zinc/37/03/15/340370315.db2.gz VBQQAYRNICTEDW-GFCCVEGCSA-N 1 0 317.433 4.171 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)s1 ZINC000512643778 340370657 /nfs/dbraw/zinc/37/06/57/340370657.db2.gz YJOGWOUWVGWHNY-WCQYABFASA-N 1 0 302.418 4.349 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000512643776 340370678 /nfs/dbraw/zinc/37/06/78/340370678.db2.gz YJOGWOUWVGWHNY-AAEUAGOBSA-N 1 0 302.418 4.349 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000512646667 340370784 /nfs/dbraw/zinc/37/07/84/340370784.db2.gz CCGANDMGKBYSTI-JNAXZKDPSA-N 1 0 324.399 4.126 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000512646953 340370803 /nfs/dbraw/zinc/37/08/03/340370803.db2.gz FQCWNEKQIIOFAC-LKWXMQFFSA-N 1 0 324.399 4.301 20 30 DIEDRO C[C@H]([NH2+]CCCOC1CCCCC1)c1ccc(C#N)cc1F ZINC000512649113 340370934 /nfs/dbraw/zinc/37/09/34/340370934.db2.gz QNDLDLAUYZPCOD-AWEZNQCLSA-N 1 0 304.409 4.087 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512649676 340370949 /nfs/dbraw/zinc/37/09/49/340370949.db2.gz TWDRDVVGXMAUTG-SGTLLEGYSA-N 1 0 310.372 4.044 20 30 DIEDRO Cc1cccc(C)c1OCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512649708 340371010 /nfs/dbraw/zinc/37/10/10/340371010.db2.gz UAOVXLVAQHCXFU-HNNXBMFYSA-N 1 0 312.388 4.044 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000512661183 340371763 /nfs/dbraw/zinc/37/17/63/340371763.db2.gz QHEBCRXMOHQURP-OCCSQVGLSA-N 1 0 300.377 4.271 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1ccc(C#N)cc1F ZINC000512667067 340372074 /nfs/dbraw/zinc/37/20/74/340372074.db2.gz NXVAOLLWBRESCD-YJYMSZOUSA-N 1 0 324.399 4.434 20 30 DIEDRO N#CC1CC[NH+](Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000512689970 340373299 /nfs/dbraw/zinc/37/32/99/340373299.db2.gz KAVHGVYRTNZOHG-UHFFFAOYSA-N 1 0 316.351 4.177 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(CSC)cc2)c1 ZINC000512977446 340386626 /nfs/dbraw/zinc/38/66/26/340386626.db2.gz MDNVXVBAUAVVQZ-UHFFFAOYSA-N 1 0 313.466 4.404 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1cccc(F)c1C#N)c1ccsc1 ZINC000513173859 340395730 /nfs/dbraw/zinc/39/57/30/340395730.db2.gz YWCDIWRJKILAML-KRWDZBQOSA-N 1 0 317.433 4.254 20 30 DIEDRO CC[N@H+](CCCC(C)(C)C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000174855016 340397687 /nfs/dbraw/zinc/39/76/87/340397687.db2.gz NYSFWDDXYHIOOI-INIZCTEOSA-N 1 0 302.462 4.278 20 30 DIEDRO C[C@H]1SCC[N@H+](CCCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000174868212 340398016 /nfs/dbraw/zinc/39/80/16/340398016.db2.gz KISZIUORVBBWAB-WBVHZDCISA-N 1 0 302.487 4.495 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3ccccc3F)CC2)s1 ZINC000513485079 340409893 /nfs/dbraw/zinc/40/98/93/340409893.db2.gz NVQBRMCIMHXHHO-UHFFFAOYSA-N 1 0 314.429 4.214 20 30 DIEDRO C=CCCC[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000513671529 340418653 /nfs/dbraw/zinc/41/86/53/340418653.db2.gz JYPCOUFKWVXYHN-INIZCTEOSA-N 1 0 302.462 4.003 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000516723400 340454747 /nfs/dbraw/zinc/45/47/47/340454747.db2.gz DASACKWAMNCALJ-UHFFFAOYSA-N 1 0 320.436 4.109 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2ccc(Cl)s2)c1 ZINC000517536054 340471193 /nfs/dbraw/zinc/47/11/93/340471193.db2.gz PPSMQPCNPNELIR-UHFFFAOYSA-N 1 0 307.846 4.299 20 30 DIEDRO CCc1ccc(C[NH2+]CCSCc2ccccc2C#N)s1 ZINC000517540836 340471501 /nfs/dbraw/zinc/47/15/01/340471501.db2.gz KYOPEDOENPPPNT-UHFFFAOYSA-N 1 0 316.495 4.205 20 30 DIEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000186363256 340511724 /nfs/dbraw/zinc/51/17/24/340511724.db2.gz MXYLODINRRUIKF-RBUKOAKNSA-N 1 0 314.473 4.171 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000195322557 340577862 /nfs/dbraw/zinc/57/78/62/340577862.db2.gz XHERBNHHCWBJCK-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000194885845 340596932 /nfs/dbraw/zinc/59/69/32/340596932.db2.gz UJCXHHJEIUTRCH-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO C=CC1CC[NH+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000523605742 340629567 /nfs/dbraw/zinc/62/95/67/340629567.db2.gz OXFGVFPRHVHHBI-CYBMUJFWSA-N 1 0 315.392 4.143 20 30 DIEDRO CC1CC[NH+](Cc2ccc(NCc3ccc(C#N)cc3)cc2)CC1 ZINC000236637755 340663250 /nfs/dbraw/zinc/66/32/50/340663250.db2.gz FXMGPDOLZGHANO-UHFFFAOYSA-N 1 0 319.452 4.402 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000322717232 340706005 /nfs/dbraw/zinc/70/60/05/340706005.db2.gz ABYIVGJZZPSPAP-AWEZNQCLSA-N 1 0 308.400 4.427 20 30 DIEDRO CC(C)C(C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)C(C)C ZINC000529674155 340767598 /nfs/dbraw/zinc/76/75/98/340767598.db2.gz JCDCZPBYQZQTEM-UHFFFAOYSA-N 1 0 314.473 4.082 20 30 DIEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000529679630 340767697 /nfs/dbraw/zinc/76/76/97/340767697.db2.gz SJFBKNKIJIASFX-XLIONFOSSA-N 1 0 324.468 4.146 20 30 DIEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000537984201 340795531 /nfs/dbraw/zinc/79/55/31/340795531.db2.gz LRCRMSQTPDUMQI-UXHICEINSA-N 1 0 324.399 4.002 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(Br)cs1)C1CC1 ZINC000125292584 340803462 /nfs/dbraw/zinc/80/34/62/340803462.db2.gz IOKLAHFYRSIIMK-ZDUSSCGKSA-N 1 0 300.265 4.345 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC000537986024 340805598 /nfs/dbraw/zinc/80/55/98/340805598.db2.gz FSARRQWDYWFHNG-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000538100266 340809305 /nfs/dbraw/zinc/80/93/05/340809305.db2.gz MAPCLWFPIRFIRM-FQEVSTJZSA-N 1 0 316.464 4.297 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000538322865 340818096 /nfs/dbraw/zinc/81/80/96/340818096.db2.gz CJBRHZDCVWIWEO-FQEVSTJZSA-N 1 0 324.399 4.255 20 30 DIEDRO N#CC1(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000538389374 340819949 /nfs/dbraw/zinc/81/99/49/340819949.db2.gz SANWWWUQLMQOID-HNNXBMFYSA-N 1 0 319.246 4.184 20 30 DIEDRO C=CCC(CC=C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000126288999 340825832 /nfs/dbraw/zinc/82/58/32/340825832.db2.gz XXFYLSIDPHXETP-UHFFFAOYSA-N 1 0 312.457 4.032 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C(C)C ZINC000539080093 340871304 /nfs/dbraw/zinc/87/13/04/340871304.db2.gz RMKFPYFXDHFFMS-DAWZGUTISA-N 1 0 300.446 4.272 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000539298668 340879939 /nfs/dbraw/zinc/87/99/39/340879939.db2.gz JZQXDMGPYUKQFR-QZTJIDSGSA-N 1 0 315.482 4.115 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(C(=O)OC)oc1C)c1ccccc1 ZINC000539360867 340882524 /nfs/dbraw/zinc/88/25/24/340882524.db2.gz ARWCKQZPIOFJJL-KRWDZBQOSA-N 1 0 313.397 4.172 20 30 DIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000539508418 340888498 /nfs/dbraw/zinc/88/84/98/340888498.db2.gz XKSCBQNDLNNXPD-ZIAGYGMSSA-N 1 0 314.816 4.330 20 30 DIEDRO Cc1ccccc1C1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000539608337 340892261 /nfs/dbraw/zinc/89/22/61/340892261.db2.gz FLGJXWXQKFIWJX-OAHLLOKOSA-N 1 0 308.400 4.388 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc(C#N)c(F)c1 ZINC000539610872 340892735 /nfs/dbraw/zinc/89/27/35/340892735.db2.gz FZKFPBSPKPEKGW-UONOGXRCSA-N 1 0 312.388 4.075 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCOC1 ZINC000540316753 340926513 /nfs/dbraw/zinc/92/65/13/340926513.db2.gz QKLWAGXKZGPANA-FPOVZHCZSA-N 1 0 320.436 4.130 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000540460319 340932120 /nfs/dbraw/zinc/93/21/20/340932120.db2.gz IPZRSZMILMNYCC-XLIONFOSSA-N 1 0 322.452 4.161 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000540595141 340937412 /nfs/dbraw/zinc/93/74/12/340937412.db2.gz OBWGOGUNNIXECO-DQLDELGASA-N 1 0 320.436 4.438 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(C#N)cc1 ZINC000540606285 340938314 /nfs/dbraw/zinc/93/83/14/340938314.db2.gz IKHPMRILCQTKAQ-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000540609662 340938733 /nfs/dbraw/zinc/93/87/33/340938733.db2.gz WIFWBPQPCBRNSA-NJSLBKSFSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540705436 340942275 /nfs/dbraw/zinc/94/22/75/340942275.db2.gz GDDLWBRUWNEXAS-CQSZACIVSA-N 1 0 312.388 4.206 20 30 DIEDRO CCCC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1CCC1 ZINC000541594341 340976754 /nfs/dbraw/zinc/97/67/54/340976754.db2.gz ARHZZNCXRNECIC-KRWDZBQOSA-N 1 0 324.428 4.057 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542012972 340993175 /nfs/dbraw/zinc/99/31/75/340993175.db2.gz APCCEMCOMMNARE-WMZOPIPTSA-N 1 0 320.436 4.302 20 30 DIEDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542012341 340993219 /nfs/dbraw/zinc/99/32/19/340993219.db2.gz FZTVWAFYSANUJT-MRXNPFEDSA-N 1 0 320.436 4.181 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000542276944 341002950 /nfs/dbraw/zinc/00/29/50/341002950.db2.gz FIPWFJWUDBADGJ-QRWLVFNGSA-N 1 0 308.400 4.475 20 30 DIEDRO CC[N@H+](Cc1ccc(CC#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000542279417 341003399 /nfs/dbraw/zinc/00/33/99/341003399.db2.gz VFQOPXQXBNQIGJ-QGZVFWFLSA-N 1 0 322.452 4.214 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000542561967 341013737 /nfs/dbraw/zinc/01/37/37/341013737.db2.gz FJVYGLGXCLUJHO-IHRRRGAJSA-N 1 0 315.379 4.114 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000543107168 341032308 /nfs/dbraw/zinc/03/23/08/341032308.db2.gz IMRKKXKTDASQTJ-FDCMFXBMSA-N 1 0 312.457 4.439 20 30 DIEDRO N#CCc1ccc(C[NH+]2CCC(COc3ccccc3)CC2)cc1 ZINC000543140664 341033892 /nfs/dbraw/zinc/03/38/92/341033892.db2.gz OZXGGUDLXBKDEP-UHFFFAOYSA-N 1 0 320.436 4.044 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000543190947 341036063 /nfs/dbraw/zinc/03/60/63/341036063.db2.gz AUGRLHAGQRKBDT-UHFFFAOYSA-N 1 0 317.230 4.148 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1Cl ZINC000543228924 341037156 /nfs/dbraw/zinc/03/71/56/341037156.db2.gz GJIOOPFVUYMTNP-LSDHHAIUSA-N 1 0 323.864 4.200 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCC(C)(C)C#N)[C@H]2C ZINC000543808935 341059966 /nfs/dbraw/zinc/05/99/66/341059966.db2.gz BGEBKNHFOBWLHL-GJZGRUSLSA-N 1 0 300.446 4.333 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCC(C)(C)C#N)[C@@H]2C ZINC000543808937 341060095 /nfs/dbraw/zinc/06/00/95/341060095.db2.gz BGEBKNHFOBWLHL-LSDHHAIUSA-N 1 0 300.446 4.333 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2ccncc2)c1 ZINC000131185443 341064027 /nfs/dbraw/zinc/06/40/27/341064027.db2.gz WYMXQHBHESVMGH-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960931 341064377 /nfs/dbraw/zinc/06/43/77/341064377.db2.gz GAFPZRGGVPRSNQ-IERDGZPVSA-N 1 0 320.436 4.445 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000544117840 341070767 /nfs/dbraw/zinc/07/07/67/341070767.db2.gz PTAVNGUCFBTVIZ-JLTOFOAXSA-N 1 0 324.399 4.289 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000544117842 341070797 /nfs/dbraw/zinc/07/07/97/341070797.db2.gz PTAVNGUCFBTVIZ-VLIAUNLRSA-N 1 0 324.399 4.289 20 30 DIEDRO N#CCSCCC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000072515177 341088705 /nfs/dbraw/zinc/08/87/05/341088705.db2.gz RYAKICXBZDUIKB-GOSISDBHSA-N 1 0 300.471 4.175 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000131644167 341105680 /nfs/dbraw/zinc/10/56/80/341105680.db2.gz BXGIXRTZUHPRFJ-QGZVFWFLSA-N 1 0 319.452 4.351 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC)c(Cl)c2)cc1 ZINC000132303142 341120373 /nfs/dbraw/zinc/12/03/73/341120373.db2.gz OQYCLFHFDMRIJB-UHFFFAOYSA-N 1 0 317.816 4.203 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000545315566 341120931 /nfs/dbraw/zinc/12/09/31/341120931.db2.gz TVZAFTPSGRLOSQ-ROUUACIJSA-N 1 0 314.473 4.290 20 30 DIEDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccccc2C(C)(C)C#N)cn1 ZINC000545396814 341123947 /nfs/dbraw/zinc/12/39/47/341123947.db2.gz HVDVGKUZNNYRFZ-UHFFFAOYSA-N 1 0 307.441 4.216 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545866012 341143568 /nfs/dbraw/zinc/14/35/68/341143568.db2.gz YDTIFRYWKOZRON-SUNYJGFJSA-N 1 0 317.864 4.353 20 30 DIEDRO C[N@H+](CCCSCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000074981894 341158582 /nfs/dbraw/zinc/15/85/82/341158582.db2.gz ISVYPWBSAWVNIU-UHFFFAOYSA-N 1 0 303.258 4.072 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000546606556 341174543 /nfs/dbraw/zinc/17/45/43/341174543.db2.gz LKANMLZBSDRMRP-HXUWFJFHSA-N 1 0 324.468 4.121 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000075755821 341182008 /nfs/dbraw/zinc/18/20/08/341182008.db2.gz YNYVWGKBEQGXCR-LBPRGKRZSA-N 1 0 320.314 4.308 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)Cc1cccc(Cl)c1 ZINC000236733708 341197345 /nfs/dbraw/zinc/19/73/45/341197345.db2.gz RNKCRUWOFZAPSW-UHFFFAOYSA-N 1 0 302.805 4.163 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1(OC)CCCCC1 ZINC000564316703 341205618 /nfs/dbraw/zinc/20/56/18/341205618.db2.gz WISBCPYASURMID-UHFFFAOYSA-N 1 0 319.493 4.191 20 30 DIEDRO CC(C)[N@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(C#N)cc1 ZINC000134155050 341207912 /nfs/dbraw/zinc/20/79/12/341207912.db2.gz YAQVRQJRFMVDNA-UHFFFAOYSA-N 1 0 323.371 4.249 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000547393557 341210791 /nfs/dbraw/zinc/21/07/91/341210791.db2.gz UKNMLAXZSKYXIS-TZMCWYRMSA-N 1 0 321.367 4.029 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000547393555 341210796 /nfs/dbraw/zinc/21/07/96/341210796.db2.gz UKNMLAXZSKYXIS-JSGCOSHPSA-N 1 0 321.367 4.029 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccc(C#N)cc1 ZINC000134267403 341211568 /nfs/dbraw/zinc/21/15/68/341211568.db2.gz BAVOGRRSWSRTPI-AWEZNQCLSA-N 1 0 306.409 4.123 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000076767100 341213830 /nfs/dbraw/zinc/21/38/30/341213830.db2.gz CWHKNHBCELZMCX-FZKQIMNGSA-N 1 0 314.816 4.077 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3C=CCCC3)c2)c1 ZINC000237848966 341221940 /nfs/dbraw/zinc/22/19/40/341221940.db2.gz FBSVSLOVGNUVMU-FQEVSTJZSA-N 1 0 318.420 4.336 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000237882897 341222460 /nfs/dbraw/zinc/22/24/60/341222460.db2.gz CBLCKUMDOXSISK-UHFFFAOYSA-N 1 0 314.816 4.406 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000237882718 341222472 /nfs/dbraw/zinc/22/24/72/341222472.db2.gz CYHBKXVTGUHSLJ-UHFFFAOYSA-N 1 0 316.857 4.485 20 30 DIEDRO C=CCOCCC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000547767671 341231168 /nfs/dbraw/zinc/23/11/68/341231168.db2.gz SWWXUUMCRGIJLX-HNNXBMFYSA-N 1 0 316.470 4.068 20 30 DIEDRO C[C@@H](O)C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CCCCC1 ZINC000135178689 341232913 /nfs/dbraw/zinc/23/29/13/341232913.db2.gz BJKGAXSSIFPGTH-MRXNPFEDSA-N 1 0 314.473 4.003 20 30 DIEDRO C=C(C)[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC000547830577 341236210 /nfs/dbraw/zinc/23/62/10/341236210.db2.gz SCIKTAIEYJAQAC-LJQANCHMSA-N 1 0 320.427 4.046 20 30 DIEDRO C=CCC[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000547869844 341238659 /nfs/dbraw/zinc/23/86/59/341238659.db2.gz MDZXIHVLZGGUAE-GOSISDBHSA-N 1 0 309.388 4.082 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000135666132 341243618 /nfs/dbraw/zinc/24/36/18/341243618.db2.gz HXTDBEWFSNAIED-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000548488194 341263552 /nfs/dbraw/zinc/26/35/52/341263552.db2.gz YNRWPVCWHQATGA-WBVHZDCISA-N 1 0 324.428 4.057 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000079720612 341264475 /nfs/dbraw/zinc/26/44/75/341264475.db2.gz RXMJLCXAKLQDOM-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO C[C@H]([NH2+]CCc1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000548932882 341281448 /nfs/dbraw/zinc/28/14/48/341281448.db2.gz HEKPRIUSSPHCTB-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO CC(C)(C#N)CCCCN1CC[C@](F)(c2ccccc2F)C1 ZINC000549081453 341285615 /nfs/dbraw/zinc/28/56/15/341285615.db2.gz VRLRIGYCEDZUSG-GOSISDBHSA-N 1 0 306.400 4.416 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549117226 341286238 /nfs/dbraw/zinc/28/62/38/341286238.db2.gz LIRKPTZAOCLHTQ-SJORKVTESA-N 1 0 310.844 4.170 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000549136921 341286688 /nfs/dbraw/zinc/28/66/88/341286688.db2.gz VCEGISNSTQOKNW-FQEVSTJZSA-N 1 0 322.452 4.139 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000549609809 341298859 /nfs/dbraw/zinc/29/88/59/341298859.db2.gz BDMVNYRVYJVEJU-GDBMZVCRSA-N 1 0 313.363 4.134 20 30 DIEDRO Cc1sccc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000549764403 341302548 /nfs/dbraw/zinc/30/25/48/341302548.db2.gz RCAQOASRCAMLLI-UHFFFAOYSA-N 1 0 309.356 4.217 20 30 DIEDRO N#Cc1cccc(C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000549832902 341304517 /nfs/dbraw/zinc/30/45/17/341304517.db2.gz POCSLLLZKOOGPI-KRWDZBQOSA-N 1 0 318.342 4.384 20 30 DIEDRO N#CCCOCC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000550075347 341309586 /nfs/dbraw/zinc/30/95/86/341309586.db2.gz YNMYRPPDXALBJH-MSOLQXFVSA-N 1 0 320.864 4.276 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000245833306 341315700 /nfs/dbraw/zinc/31/57/00/341315700.db2.gz CCUKPLSFNLGSHN-OQUILHJVSA-N 1 0 301.821 4.070 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000550855981 341324495 /nfs/dbraw/zinc/32/44/95/341324495.db2.gz GJGSYZDRBANGSZ-PKOBYXMFSA-N 1 0 300.490 4.089 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009180 341329176 /nfs/dbraw/zinc/32/91/76/341329176.db2.gz QTPIMQWWEOOCGQ-NDXORKPFSA-N 1 0 319.452 4.044 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)cc1 ZINC000551424698 341341359 /nfs/dbraw/zinc/34/13/59/341341359.db2.gz NXGKGQRFTFIUPY-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(C)C ZINC000551799088 341352161 /nfs/dbraw/zinc/35/21/61/341352161.db2.gz JXNBEIZNENGCPK-HXUWFJFHSA-N 1 0 318.424 4.001 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551823461 341353074 /nfs/dbraw/zinc/35/30/74/341353074.db2.gz GWFIKFDTKRNENN-LSDHHAIUSA-N 1 0 308.347 4.235 20 30 DIEDRO CC1=CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000552004267 341359223 /nfs/dbraw/zinc/35/92/23/341359223.db2.gz AERHKXPDZLFWPH-VIQWUECVSA-N 1 0 310.441 4.337 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000247243554 341362657 /nfs/dbraw/zinc/36/26/57/341362657.db2.gz DOMAUGUTZBRZQM-FXAWDEMLSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OCCC)nc1)c1ccco1 ZINC000552043543 341364414 /nfs/dbraw/zinc/36/44/14/341364414.db2.gz RAINUUUNORFYHZ-MRXNPFEDSA-N 1 0 300.402 4.261 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccco1 ZINC000552043700 341364500 /nfs/dbraw/zinc/36/45/00/341364500.db2.gz ZGZDWSIOZILEEC-YJBOKZPZSA-N 1 0 315.413 4.353 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccc(OC)cc1OC)c1ccco1 ZINC000552047531 341364911 /nfs/dbraw/zinc/36/49/11/341364911.db2.gz POZAICWXMURLLS-QGZVFWFLSA-N 1 0 315.413 4.136 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CC1Cc2ccccc2C1)c1ccccc1 ZINC000552083287 341368081 /nfs/dbraw/zinc/36/80/81/341368081.db2.gz ZGPONXRBQRFKQP-OAQYLSRUSA-N 1 0 304.437 4.426 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2)cc1 ZINC000552089402 341368972 /nfs/dbraw/zinc/36/89/72/341368972.db2.gz JMEZEXDTDWBRIB-CYBMUJFWSA-N 1 0 303.352 4.380 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000552246004 341381068 /nfs/dbraw/zinc/38/10/68/341381068.db2.gz DPPWPEFDINCTIV-HNNXBMFYSA-N 1 0 300.358 4.027 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+]CCC3=CCCCCC3)CC2)cc1 ZINC000552280715 341383840 /nfs/dbraw/zinc/38/38/40/341383840.db2.gz QVOYSRCKIGMVDG-UHFFFAOYSA-N 1 0 323.484 4.397 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2N(C)C)cc1 ZINC000552324741 341386537 /nfs/dbraw/zinc/38/65/37/341386537.db2.gz HWNPHEJSUJDOML-INIZCTEOSA-N 1 0 310.441 4.168 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000553304953 341424455 /nfs/dbraw/zinc/42/44/55/341424455.db2.gz ATSVUNFQAQXGHR-XOBRGWDASA-N 1 0 308.400 4.296 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000564432039 341501686 /nfs/dbraw/zinc/50/16/86/341501686.db2.gz NYHBGXDEGNXKHL-FQEVSTJZSA-N 1 0 306.409 4.123 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)ccn1 ZINC000565218255 341520448 /nfs/dbraw/zinc/52/04/48/341520448.db2.gz MHPHOLXZGVBDRX-QAPCUYQASA-N 1 0 309.413 4.176 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000565797951 341538496 /nfs/dbraw/zinc/53/84/96/341538496.db2.gz GOQDESFMSWCDHD-QMIHWGKISA-N 1 0 310.441 4.116 20 30 DIEDRO CC(C)Cc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cn2)C2CC2)cc1 ZINC000566416767 341557154 /nfs/dbraw/zinc/55/71/54/341557154.db2.gz OIMLLTCOSFBNER-OAQYLSRUSA-N 1 0 319.452 4.393 20 30 DIEDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000566650761 341564146 /nfs/dbraw/zinc/56/41/46/341564146.db2.gz YOLHIWIJGAFIBJ-LLVKDONJSA-N 1 0 316.392 4.198 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1OC)c1ccc(C#N)cc1 ZINC000566953955 341572689 /nfs/dbraw/zinc/57/26/89/341572689.db2.gz LEWTVJAGNVXYCB-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271432059 341622560 /nfs/dbraw/zinc/62/25/60/341622560.db2.gz DTZYGIXNQAWIOB-GJZGRUSLSA-N 1 0 310.397 4.009 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000271764022 341624474 /nfs/dbraw/zinc/62/44/74/341624474.db2.gz MWLFHGSMFCPEBN-INIZCTEOSA-N 1 0 324.424 4.227 20 30 DIEDRO CC[C@@]1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)OCCc2ccccc21 ZINC000568807396 341682308 /nfs/dbraw/zinc/68/23/08/341682308.db2.gz PYPZNWNKYACZQK-KKSFZXQISA-N 1 0 320.436 4.087 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)cc1 ZINC000168014328 341728894 /nfs/dbraw/zinc/72/88/94/341728894.db2.gz OMTGQGYGOUWBMD-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000573665832 341735431 /nfs/dbraw/zinc/73/54/31/341735431.db2.gz AVBVMYYIULYEJR-CQSZACIVSA-N 1 0 316.470 4.280 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@H](F)C2)ccc1OC ZINC000574571665 341762517 /nfs/dbraw/zinc/76/25/17/341762517.db2.gz LOPUMUGEIQZDBA-HOTGVXAUSA-N 1 0 307.409 4.020 20 30 DIEDRO CCCOc1cccc(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000574729510 341767296 /nfs/dbraw/zinc/76/72/96/341767296.db2.gz YQKLHLFDLMVSNH-OAQYLSRUSA-N 1 0 320.436 4.167 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000574848272 341770724 /nfs/dbraw/zinc/77/07/24/341770724.db2.gz XXYFOVSJWQTNDO-VBKZILBWSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000175978152 341854749 /nfs/dbraw/zinc/85/47/49/341854749.db2.gz QUPPMICMHOIEJX-PIGZYNQJSA-N 1 0 300.402 4.172 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000175978166 341854801 /nfs/dbraw/zinc/85/48/01/341854801.db2.gz QUPPMICMHOIEJX-APPDUMDISA-N 1 0 300.402 4.172 20 30 DIEDRO CCC(C)(C)[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000576825760 341865180 /nfs/dbraw/zinc/86/51/80/341865180.db2.gz SPYYCSYCXHZMIH-ODIFPOPNSA-N 1 0 315.461 4.058 20 30 DIEDRO COc1ccc2cc(C[NH2+]Cc3ccc(C#N)s3)ccc2c1 ZINC000176943862 341905824 /nfs/dbraw/zinc/90/58/24/341905824.db2.gz WINOVAFQEBOFQU-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO CC[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000577464841 341910972 /nfs/dbraw/zinc/91/09/72/341910972.db2.gz JCEYDWGDRBLIEJ-LPHOPBHVSA-N 1 0 311.473 4.085 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000577665934 341928079 /nfs/dbraw/zinc/92/80/79/341928079.db2.gz KBUJNTUAVNUWFJ-CWVNLOTRSA-N 1 0 324.399 4.050 20 30 DIEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000577991728 341964469 /nfs/dbraw/zinc/96/44/69/341964469.db2.gz MQYHQIROXCKWQU-HOTGVXAUSA-N 1 0 309.413 4.003 20 30 DIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+](CCCC#N)CC2)cc1 ZINC000051852499 517433532 /nfs/dbraw/zinc/43/35/32/517433532.db2.gz CIVZXYNECGSGLI-UHFFFAOYSA-N 1 0 312.457 4.084 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1 ZINC000362928756 518196337 /nfs/dbraw/zinc/19/63/37/518196337.db2.gz WEHNCRZVNHHBOJ-SFHVURJKSA-N 1 0 307.372 4.442 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000442867809 518196362 /nfs/dbraw/zinc/19/63/62/518196362.db2.gz ZKHVINKYHFLNKD-DOMZBBRYSA-N 1 0 319.246 4.110 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000181578322 519799714 /nfs/dbraw/zinc/79/97/14/519799714.db2.gz LBKVZUIEWWKSJH-IFXJQAMLSA-N 1 0 318.424 4.482 20 30 DIEDRO CC(C)c1nc(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)no1 ZINC000265579075 519860524 /nfs/dbraw/zinc/86/05/24/519860524.db2.gz XWPCUHLRGXNZMI-CQSZACIVSA-N 1 0 324.428 4.005 20 30 DIEDRO CC(C)c1nc([C@H]2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000265566139 519867936 /nfs/dbraw/zinc/86/79/36/519867936.db2.gz WFCZVWQMZIENJA-YOEHRIQHSA-N 1 0 324.428 4.005 20 30 DIEDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000180138288 523291585 /nfs/dbraw/zinc/29/15/85/523291585.db2.gz BLJOEEYQRMOWAM-HUUCEWRRSA-N 1 0 318.424 4.340 20 30 DIEDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000180138304 523294307 /nfs/dbraw/zinc/29/43/07/523294307.db2.gz BLJOEEYQRMOWAM-CABCVRRESA-N 1 0 318.424 4.340 20 30 DIEDRO Cc1cc(C[NH2+]CCCc2c[nH]c3ccc(F)cc23)ccc1C#N ZINC000337274035 524756530 /nfs/dbraw/zinc/75/65/30/524756530.db2.gz CZZGUXYXMAVZLI-UHFFFAOYSA-N 1 0 321.399 4.210 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000181574840 525415024 /nfs/dbraw/zinc/41/50/24/525415024.db2.gz YVASYERKRQNLEU-ZLGUVYLKSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1cccc(C#N)c1 ZINC000365044695 525432728 /nfs/dbraw/zinc/43/27/28/525432728.db2.gz RRFPEUMXXHGOIC-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000174001099 525483855 /nfs/dbraw/zinc/48/38/55/525483855.db2.gz PIJYVYMONRIQLC-TYCQWZJGSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000181430756 525594513 /nfs/dbraw/zinc/59/45/13/525594513.db2.gz RNSDFNXGZRKEAO-LAUBAEHRSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000181320987 525635862 /nfs/dbraw/zinc/63/58/62/525635862.db2.gz ZMPVZUCSJFAMSU-FZKQIMNGSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715772 526092525 /nfs/dbraw/zinc/09/25/25/526092525.db2.gz NYXUKJQSAKWZJM-INIZCTEOSA-N 1 0 306.409 4.163 20 30 DIEDRO N#Cc1ccc(CNc2cccc(C[NH+]3CCCCC3)c2)s1 ZINC000156491190 526628320 /nfs/dbraw/zinc/62/83/20/526628320.db2.gz WIXKCUHJSMHTST-UHFFFAOYSA-N 1 0 311.454 4.218 20 30 DIEDRO Cn1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)cc1C#N ZINC000191083912 527215076 /nfs/dbraw/zinc/21/50/76/527215076.db2.gz DHQFUVDBBDRZMX-UHFFFAOYSA-N 1 0 313.832 4.109 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000788694009 1050726344 /nfs/dbraw/zinc/72/63/44/1050726344.db2.gz TWTJQTPJQBZYLT-MNOVXSKESA-N 1 0 315.230 4.379 20 30 DIEDRO C[N@H+](Cc1cccc(Br)c1)C1CCC(C)(C#N)CC1 ZINC001173594177 1051756618 /nfs/dbraw/zinc/75/66/18/1051756618.db2.gz ULHHGCIRMZFZBN-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO CCC[N@H+](CCC#N)[C@H](C)Cc1ccc(Br)cc1 ZINC001257563948 1063337640 /nfs/dbraw/zinc/33/76/40/1063337640.db2.gz IWDDYLXVQFZWIK-CYBMUJFWSA-N 1 0 309.251 4.006 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccccc1 ZINC000274521472 1035508869 /nfs/dbraw/zinc/50/88/69/1035508869.db2.gz YKEUOSABHCEJIJ-OAHLLOKOSA-N 1 0 305.372 4.155 20 30 DIEDRO C=CCCCCCCCCC[N@@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001207899740 1035519038 /nfs/dbraw/zinc/51/90/38/1035519038.db2.gz KRJUVUXTERWKGE-LJQANCHMSA-N 1 0 308.510 4.236 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126844650 1035625037 /nfs/dbraw/zinc/62/50/37/1035625037.db2.gz FBFWRDSYJHRTJH-QEEYODRMSA-N 1 0 324.399 4.220 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1c1ccccc1 ZINC000610216138 1035752561 /nfs/dbraw/zinc/75/25/61/1035752561.db2.gz OOFOINNVWMBWLE-BEFAXECRSA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000610216096 1035752825 /nfs/dbraw/zinc/75/28/25/1035752825.db2.gz LGLXTBMXODATSC-UTKZUKDTSA-N 1 0 320.436 4.063 20 30 DIEDRO CC[NH+](CC)Cc1cccc(CNc2nc(C)cc(C)c2C#N)c1 ZINC000097476797 1035776989 /nfs/dbraw/zinc/77/69/89/1035776989.db2.gz LMHOETIOKYRBFZ-UHFFFAOYSA-N 1 0 322.456 4.024 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](CCCc2cccc(Br)c2)CC1 ZINC001208825187 1035866111 /nfs/dbraw/zinc/86/61/11/1035866111.db2.gz ANLOGHBAKKJKAP-OAHLLOKOSA-N 1 0 321.262 4.007 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](CSc2ccccc2)C(C)C)CC1 ZINC000180489259 1036064179 /nfs/dbraw/zinc/06/41/79/1036064179.db2.gz XEZQZUCIMDDTEF-LJQANCHMSA-N 1 0 318.530 4.043 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(C#N)cc1 ZINC000336875344 1036074763 /nfs/dbraw/zinc/07/47/63/1036074763.db2.gz FNYKVJAFMIMMQB-HOTGVXAUSA-N 1 0 316.408 4.156 20 30 DIEDRO C#CCCC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC001209269946 1036092079 /nfs/dbraw/zinc/09/20/79/1036092079.db2.gz SCGDZWAWABZYOV-UHFFFAOYSA-N 1 0 323.436 4.119 20 30 DIEDRO CC[N@H+](CCOC1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC001167131763 1036161002 /nfs/dbraw/zinc/16/10/02/1036161002.db2.gz SAUKTTZOTLEWAT-MRXNPFEDSA-N 1 0 300.446 4.290 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001209431287 1036173237 /nfs/dbraw/zinc/17/32/37/1036173237.db2.gz KXKIMWCIPZVKMQ-UHFFFAOYSA-N 1 0 310.482 4.112 20 30 DIEDRO C=CCCCCCCC[NH+]1CC(CN(C)C(=O)OC(C)(C)C)C1 ZINC001209438959 1036178747 /nfs/dbraw/zinc/17/87/47/1036178747.db2.gz ZHLWTXDTLQQMLZ-UHFFFAOYSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCC[C@@]2(C[C@H](OCC=C)CO2)C1 ZINC001209439461 1036184611 /nfs/dbraw/zinc/18/46/11/1036184611.db2.gz QOGUSPMRRDBJAO-VQTJNVASSA-N 1 0 321.505 4.339 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001209439512 1036184952 /nfs/dbraw/zinc/18/49/52/1036184952.db2.gz RKODLODNHYPCMU-UHFFFAOYSA-N 1 0 313.489 4.281 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1OC)[C@@H]1CCc2ccccc21 ZINC001167205403 1036272231 /nfs/dbraw/zinc/27/22/31/1036272231.db2.gz DPOJTNUMVRKWCV-HXUWFJFHSA-N 1 0 320.436 4.466 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000025259620 1036275419 /nfs/dbraw/zinc/27/54/19/1036275419.db2.gz SSIBMIWMABQKJO-OAQYLSRUSA-N 1 0 319.452 4.204 20 30 DIEDRO CCC[N@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC001167218872 1036281311 /nfs/dbraw/zinc/28/13/11/1036281311.db2.gz UXISYFOLADONTI-LEWJYISDSA-N 1 0 322.452 4.455 20 30 DIEDRO COCC[N@H+](Cc1ccc(C)c(C#N)c1)Cc1ccc(C)cc1C ZINC001167227310 1036295097 /nfs/dbraw/zinc/29/50/97/1036295097.db2.gz KPIIOPMMJJQPKH-UHFFFAOYSA-N 1 0 322.452 4.132 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CC2(CO1)CCCCC2 ZINC001167252104 1036327352 /nfs/dbraw/zinc/32/73/52/1036327352.db2.gz SUYSMUYNURLRAH-FQEVSTJZSA-N 1 0 324.468 4.286 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C2CCCCCC2)ccc1OC ZINC000060926779 1036328228 /nfs/dbraw/zinc/32/82/28/1036328228.db2.gz QQZKYKOOSIPGJC-UHFFFAOYSA-N 1 0 303.446 4.463 20 30 DIEDRO C#CC[N@H+](CCOc1cccc2ccccc21)C1CCCCC1 ZINC001167273643 1036353178 /nfs/dbraw/zinc/35/31/78/1036353178.db2.gz NVSXRFDQOJPIJG-UHFFFAOYSA-N 1 0 307.437 4.487 20 30 DIEDRO C=CCCC[N@@H+](C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000137535013 1036381842 /nfs/dbraw/zinc/38/18/42/1036381842.db2.gz IGUJBKXGPYXUDT-UHFFFAOYSA-N 1 0 302.462 4.229 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000175750727 1036392661 /nfs/dbraw/zinc/39/26/61/1036392661.db2.gz SLMUAZPNRYXJOK-LBPRGKRZSA-N 1 0 320.314 4.308 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCCc1cccc(Br)c1 ZINC000610270930 1036404920 /nfs/dbraw/zinc/40/49/20/1036404920.db2.gz SABINFRIXMYLPJ-UHFFFAOYSA-N 1 0 323.278 4.301 20 30 DIEDRO CCC[C@H](C)CCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001167286411 1036435886 /nfs/dbraw/zinc/43/58/86/1036435886.db2.gz HUJLCLWXXWETKA-INIZCTEOSA-N 1 0 317.452 4.036 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001648839244 1036618964 /nfs/dbraw/zinc/61/89/64/1036618964.db2.gz LVXOEZKIDUSSFT-PKOBYXMFSA-N 1 0 322.452 4.495 20 30 DIEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001167331865 1036780663 /nfs/dbraw/zinc/78/06/63/1036780663.db2.gz BOXSEPGUYWYWPJ-HXUWFJFHSA-N 1 0 320.436 4.337 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000397736394 1036798909 /nfs/dbraw/zinc/79/89/09/1036798909.db2.gz IAZJLDZPSCPQBQ-OAHLLOKOSA-N 1 0 312.498 4.192 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000610345104 1036838147 /nfs/dbraw/zinc/83/81/47/1036838147.db2.gz RVPFQZQHBVYFFD-GFCCVEGCSA-N 1 0 320.314 4.308 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ccc1SC ZINC000610345168 1036839102 /nfs/dbraw/zinc/83/91/02/1036839102.db2.gz WCHZFSOCWLUECW-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO C=CCCCCC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000683783772 1036913102 /nfs/dbraw/zinc/91/31/02/1036913102.db2.gz WSFDQTIVVHQNRI-UHFFFAOYSA-N 1 0 301.430 4.033 20 30 DIEDRO CC(C)CCN(CCC#N)Cc1ccc(Br)cc1 ZINC000610391968 1036975857 /nfs/dbraw/zinc/97/58/57/1036975857.db2.gz PRDDCQUUSBELLX-UHFFFAOYSA-N 1 0 309.251 4.211 20 30 DIEDRO CCCCCCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC001167387815 1037094637 /nfs/dbraw/zinc/09/46/37/1037094637.db2.gz XMPVIQCCRNIYLP-SFHVURJKSA-N 1 0 302.462 4.084 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000391258377 1037130408 /nfs/dbraw/zinc/13/04/08/1037130408.db2.gz CSCMLIKSWZNUGS-UHFFFAOYSA-N 1 0 308.425 4.068 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000303550552 1037132735 /nfs/dbraw/zinc/13/27/35/1037132735.db2.gz MXXIIKFIIJGADD-QGZVFWFLSA-N 1 0 311.425 4.119 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000398108553 1037212961 /nfs/dbraw/zinc/21/29/61/1037212961.db2.gz LVBIZHQAGILKFJ-NSHDSACASA-N 1 0 300.215 4.423 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000580706330 1037259571 /nfs/dbraw/zinc/25/95/71/1037259571.db2.gz VJNGCLNFKXRWOQ-XHDPSFHLSA-N 1 0 302.245 4.219 20 30 DIEDRO CC1(C)CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537632979 1037269985 /nfs/dbraw/zinc/26/99/85/1037269985.db2.gz BOFHTYBQSHDKCT-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001207136081 1037284032 /nfs/dbraw/zinc/28/40/32/1037284032.db2.gz RKYZHGKTLKRDGH-CZUORRHYSA-N 1 0 315.379 4.463 20 30 DIEDRO N#CC1CCC(C[N@@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC001167433198 1037285978 /nfs/dbraw/zinc/28/59/78/1037285978.db2.gz ALSCCTLOBSDWSJ-UHFFFAOYSA-N 1 0 300.421 4.163 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001167433963 1037293695 /nfs/dbraw/zinc/29/36/95/1037293695.db2.gz QBUNVPVNJAILAS-MAUKXSAKSA-N 1 0 311.375 4.194 20 30 DIEDRO C[C@@H](CCc1ccccc1F)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000580824408 1037317777 /nfs/dbraw/zinc/31/77/77/1037317777.db2.gz MMWXYVOLKNUQMN-HNNXBMFYSA-N 1 0 308.400 4.297 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000580919702 1037357202 /nfs/dbraw/zinc/35/72/02/1037357202.db2.gz WLPPMOLLHGJYBO-IBGZPJMESA-N 1 0 324.424 4.159 20 30 DIEDRO N#Cc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c(F)c1 ZINC000177859522 1037372969 /nfs/dbraw/zinc/37/29/69/1037372969.db2.gz BOKAWHLOWWKQED-GOSISDBHSA-N 1 0 322.383 4.233 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000581388238 1037571602 /nfs/dbraw/zinc/57/16/02/1037571602.db2.gz PEJTZQOCYHTEQG-OAHLLOKOSA-N 1 0 321.262 4.356 20 30 DIEDRO N#CCC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000610504450 1037604978 /nfs/dbraw/zinc/60/49/78/1037604978.db2.gz RTOGSNXNXKBTBO-UHFFFAOYSA-N 1 0 310.363 4.264 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)c1C ZINC001167465164 1037668848 /nfs/dbraw/zinc/66/88/48/1037668848.db2.gz VKAJPGLUIYFCDK-RTWAWAEBSA-N 1 0 320.436 4.046 20 30 DIEDRO N#CCCC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000581490089 1037692253 /nfs/dbraw/zinc/69/22/53/1037692253.db2.gz WPQMMJAABZCQBI-UHFFFAOYSA-N 1 0 302.365 4.283 20 30 DIEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000276370535 1037754435 /nfs/dbraw/zinc/75/44/35/1037754435.db2.gz GUPWFPLBWXBPRJ-MRXNPFEDSA-N 1 0 308.425 4.189 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518194 1037777690 /nfs/dbraw/zinc/77/76/90/1037777690.db2.gz RTQLSBGVAHEDSN-GFCCVEGCSA-N 1 0 302.443 4.176 20 30 DIEDRO CC(C)n1ccc(C[C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)n1 ZINC000341366129 1037925974 /nfs/dbraw/zinc/92/59/74/1037925974.db2.gz XMSWYOXJQWOVRZ-LPHOPBHVSA-N 1 0 310.445 4.030 20 30 DIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602438062 1038006011 /nfs/dbraw/zinc/00/60/11/1038006011.db2.gz GWMGAGHRYHQIFI-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000602440693 1038008354 /nfs/dbraw/zinc/00/83/54/1038008354.db2.gz ALGDPKWENOPNDC-CQSZACIVSA-N 1 0 306.837 4.123 20 30 DIEDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602456050 1038011858 /nfs/dbraw/zinc/01/18/58/1038011858.db2.gz ZLVDRYWVGZSIIB-MAUKXSAKSA-N 1 0 310.445 4.133 20 30 DIEDRO CC1CCC([N@H+](C)Cc2cccc(OCCCC#N)c2)CC1 ZINC000349518873 1038011889 /nfs/dbraw/zinc/01/18/89/1038011889.db2.gz CMRXSMXLTIISIQ-UHFFFAOYSA-N 1 0 300.446 4.380 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)cc1OC ZINC000602515079 1038025291 /nfs/dbraw/zinc/02/52/91/1038025291.db2.gz TXDMZBYQSFMCMY-LSDHHAIUSA-N 1 0 304.434 4.074 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000602515206 1038026317 /nfs/dbraw/zinc/02/63/17/1038026317.db2.gz ONGIDMWGOAVHPK-LBPRGKRZSA-N 1 0 309.251 4.214 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000559147668 1038027485 /nfs/dbraw/zinc/02/74/85/1038027485.db2.gz BKSLUZBMWXPGHZ-INIZCTEOSA-N 1 0 311.425 4.215 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)ccc1OC(C)C ZINC000602511745 1038030200 /nfs/dbraw/zinc/03/02/00/1038030200.db2.gz TXXAWGAXZOLCLB-LSDHHAIUSA-N 1 0 304.434 4.073 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000602512957 1038032094 /nfs/dbraw/zinc/03/20/94/1038032094.db2.gz YKUWGHSESMNWRU-IRXDYDNUSA-N 1 0 323.440 4.251 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000602511867 1038032196 /nfs/dbraw/zinc/03/21/96/1038032196.db2.gz RXFYGWFEIZPOFO-MAUKXSAKSA-N 1 0 319.880 4.006 20 30 DIEDRO COc1cc([C@H](C)[NH2+]C2CCC(C#N)CC2)ccc1OC(C)C ZINC000602512247 1038032344 /nfs/dbraw/zinc/03/23/44/1038032344.db2.gz WOJSECZMGCAHFJ-UQPPLGOBSA-N 1 0 316.445 4.215 20 30 DIEDRO COc1ccccc1[C@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602546705 1038032841 /nfs/dbraw/zinc/03/28/41/1038032841.db2.gz FDBFVZSBQBUJMJ-OXQOHEQNSA-N 1 0 308.425 4.314 20 30 DIEDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)c(C)c2c1 ZINC000602538430 1038032975 /nfs/dbraw/zinc/03/29/75/1038032975.db2.gz LVVSZIZOUQMHTO-GXTWGEPZSA-N 1 0 300.402 4.340 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000602548622 1038033278 /nfs/dbraw/zinc/03/32/78/1038033278.db2.gz UKPKIHHYCDLQOD-CYBMUJFWSA-N 1 0 321.262 4.010 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602539039 1038034074 /nfs/dbraw/zinc/03/40/74/1038034074.db2.gz QCXFALKSGCYULC-CABCVRRESA-N 1 0 306.475 4.016 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(F)c(Br)c1 ZINC000602544277 1038034097 /nfs/dbraw/zinc/03/40/97/1038034097.db2.gz HGFLHJWQENXVNC-WDEREUQCSA-N 1 0 313.214 4.179 20 30 DIEDRO N#CC1CCC([NH2+]CCCc2cccc(C(F)(F)F)c2)CC1 ZINC000602525840 1038034840 /nfs/dbraw/zinc/03/48/40/1038034840.db2.gz CVVVBTFUGVXDJB-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO N#CC1CCC([NH2+]CCCCOc2ccc(Cl)cc2)CC1 ZINC000602531020 1038036546 /nfs/dbraw/zinc/03/65/46/1038036546.db2.gz VQSZZFRBQLKIDI-UHFFFAOYSA-N 1 0 306.837 4.171 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000060815956 1038036597 /nfs/dbraw/zinc/03/65/97/1038036597.db2.gz FPNCKHDHVKJBNR-UHFFFAOYSA-N 1 0 321.207 4.186 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000178176211 1038036819 /nfs/dbraw/zinc/03/68/19/1038036819.db2.gz HZSVEMCWLJFLIT-GJZGRUSLSA-N 1 0 324.424 4.296 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC(C#N)CC1 ZINC000602536423 1038038619 /nfs/dbraw/zinc/03/86/19/1038038619.db2.gz TVEDCOCUCCJAKK-XEBKBJJBSA-N 1 0 310.363 4.308 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)n1 ZINC000602574000 1038039369 /nfs/dbraw/zinc/03/93/69/1038039369.db2.gz PIDUGYVTETVWGU-UHFFFAOYSA-N 1 0 311.816 4.166 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CCC(C#N)CC1 ZINC000602568771 1038039866 /nfs/dbraw/zinc/03/98/66/1038039866.db2.gz MFZOBGUZNFTQOU-UHFFFAOYSA-N 1 0 322.456 4.168 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602550582 1038044413 /nfs/dbraw/zinc/04/44/13/1038044413.db2.gz JQUWYLXIOKWAJT-GOSISDBHSA-N 1 0 313.832 4.484 20 30 DIEDRO N#CCC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000602579643 1038046119 /nfs/dbraw/zinc/04/61/19/1038046119.db2.gz COLYITFDDJWIKA-GHTZIAJQSA-N 1 0 319.452 4.148 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000602578013 1038047517 /nfs/dbraw/zinc/04/75/17/1038047517.db2.gz XGPPLCGSRJVMNQ-BXUZGUMPSA-N 1 0 302.315 4.349 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCC(C#N)CC1 ZINC000602603755 1038053093 /nfs/dbraw/zinc/05/30/93/1038053093.db2.gz DZJXWPVFSORQIA-DNOWBOINSA-N 1 0 310.363 4.308 20 30 DIEDRO N#CC1CCC([NH2+]CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000602672028 1038057533 /nfs/dbraw/zinc/05/75/33/1038057533.db2.gz CAVXUFXQBHNSGD-UHFFFAOYSA-N 1 0 313.228 4.044 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000602629345 1038057770 /nfs/dbraw/zinc/05/77/70/1038057770.db2.gz MXXDFNQLMLODPD-ZDUSSCGKSA-N 1 0 310.363 4.266 20 30 DIEDRO Cc1ccccc1C[N@@H+](Cc1cccnc1)C[C@@H](C)CCC#N ZINC000602654536 1038058013 /nfs/dbraw/zinc/05/80/13/1038058013.db2.gz CSCDIRMBRPXWFG-KRWDZBQOSA-N 1 0 307.441 4.332 20 30 DIEDRO CCc1nc2cc(C[NH2+]C3CCC(C#N)CC3)ccc2n1C1CC1 ZINC000602652777 1038059068 /nfs/dbraw/zinc/05/90/68/1038059068.db2.gz KKMRWYIRSMVPLP-UHFFFAOYSA-N 1 0 322.456 4.106 20 30 DIEDRO CC(C)O[C@@H](C[NH2+]CC1CCC(C#N)CC1)c1ccccc1 ZINC000602658737 1038062587 /nfs/dbraw/zinc/06/25/87/1038062587.db2.gz XDMKYNWUNZMFCN-TVPLGVNVSA-N 1 0 300.446 4.072 20 30 DIEDRO COc1cc(C[C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)ccn1 ZINC000602669591 1038064629 /nfs/dbraw/zinc/06/46/29/1038064629.db2.gz KKIOGQJFRZWSFR-VQIMIIECSA-N 1 0 323.440 4.046 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000602666738 1038065125 /nfs/dbraw/zinc/06/51/25/1038065125.db2.gz OOWYFBDGIVNJCG-SECBINFHSA-N 1 0 306.278 4.013 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000602666739 1038065418 /nfs/dbraw/zinc/06/54/18/1038065418.db2.gz OOWYFBDGIVNJCG-VIFPVBQESA-N 1 0 306.278 4.013 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C(F)F)nc1 ZINC000602691396 1038068283 /nfs/dbraw/zinc/06/82/83/1038068283.db2.gz FQTVQDZZDBLZGL-LBPRGKRZSA-N 1 0 301.340 4.084 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000647189482 1038072545 /nfs/dbraw/zinc/07/25/45/1038072545.db2.gz XRGCZBBYQGPOFC-UHFFFAOYSA-N 1 0 317.301 4.224 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000602707217 1038076834 /nfs/dbraw/zinc/07/68/34/1038076834.db2.gz DVLQBGYILPWPGZ-LBPRGKRZSA-N 1 0 312.335 4.104 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000135323431 1038079074 /nfs/dbraw/zinc/07/90/74/1038079074.db2.gz LVYLMOOCIYKFDB-QAPCUYQASA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602725437 1038078908 /nfs/dbraw/zinc/07/89/08/1038078908.db2.gz WUOFFQASFJRAJL-APWZRJJASA-N 1 0 312.457 4.061 20 30 DIEDRO Cc1cccc2c1CCC[C@H]2[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602725440 1038079548 /nfs/dbraw/zinc/07/95/48/1038079548.db2.gz WUOFFQASFJRAJL-VQIMIIECSA-N 1 0 312.457 4.061 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000602726340 1038080362 /nfs/dbraw/zinc/08/03/62/1038080362.db2.gz PULOEMGTQWRSTC-SUMWQHHRSA-N 1 0 318.848 4.016 20 30 DIEDRO N#CC1CCC([NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000602750741 1038082828 /nfs/dbraw/zinc/08/28/28/1038082828.db2.gz BRHVXDZWWGCLLI-UHFFFAOYSA-N 1 0 314.763 4.113 20 30 DIEDRO N#CCC1(C[NH+]2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC000602768699 1038087737 /nfs/dbraw/zinc/08/77/37/1038087737.db2.gz RXTKQOJZBWIPOV-UHFFFAOYSA-N 1 0 311.454 4.170 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccccc1 ZINC000602837799 1038094103 /nfs/dbraw/zinc/09/41/03/1038094103.db2.gz CVMKTJWTEKQYBT-NRFANRHFSA-N 1 0 320.436 4.284 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Oc2cccnc2)cc1 ZINC000602833300 1038095652 /nfs/dbraw/zinc/09/56/52/1038095652.db2.gz NMRWJTWAOBPANW-OAHLLOKOSA-N 1 0 307.397 4.218 20 30 DIEDRO CC[N@H+](Cc1cnn(C2CCC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000891657646 1038110087 /nfs/dbraw/zinc/11/00/87/1038110087.db2.gz YGAGDBCLBCXOFH-OAHLLOKOSA-N 1 0 308.429 4.063 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602902324 1038110431 /nfs/dbraw/zinc/11/04/31/1038110431.db2.gz BPYFCRRENIKKGF-CQSZACIVSA-N 1 0 309.388 4.033 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982333 1038116105 /nfs/dbraw/zinc/11/61/05/1038116105.db2.gz QULNDKMZTQFVBD-HKUYNNGSSA-N 1 0 324.472 4.139 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982334 1038116700 /nfs/dbraw/zinc/11/67/00/1038116700.db2.gz QULNDKMZTQFVBD-IEBWSBKVSA-N 1 0 324.472 4.139 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602957271 1038116801 /nfs/dbraw/zinc/11/68/01/1038116801.db2.gz SCOKTPCWPCDXAY-AWEZNQCLSA-N 1 0 311.454 4.030 20 30 DIEDRO COc1ccc(C([NH2+]CCCCC#N)c2ccc(OC)cc2)cc1 ZINC000602988622 1038118797 /nfs/dbraw/zinc/11/87/97/1038118797.db2.gz QLJDQNCCJOKOCD-UHFFFAOYSA-N 1 0 324.424 4.077 20 30 DIEDRO CCC(CC)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccs1 ZINC000598603480 1038126399 /nfs/dbraw/zinc/12/63/99/1038126399.db2.gz UKYMANJBPKBJKI-ZBFHGGJFSA-N 1 0 308.491 4.116 20 30 DIEDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598602896 1038126654 /nfs/dbraw/zinc/12/66/54/1038126654.db2.gz QUAQSJBRSGGBNG-QGZVFWFLSA-N 1 0 316.489 4.110 20 30 DIEDRO CCC(CC)([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000598596332 1038128116 /nfs/dbraw/zinc/12/81/16/1038128116.db2.gz OBAHMIXQAJOSNU-MRXNPFEDSA-N 1 0 322.880 4.246 20 30 DIEDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598593782 1038130283 /nfs/dbraw/zinc/13/02/83/1038130283.db2.gz WAEZEEJZZPKIAC-RDJZCZTQSA-N 1 0 318.461 4.060 20 30 DIEDRO CCCC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000598587975 1038130501 /nfs/dbraw/zinc/13/05/01/1038130501.db2.gz YFEZAHHMGSBEQD-WMZOPIPTSA-N 1 0 302.462 4.150 20 30 DIEDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598598397 1038132427 /nfs/dbraw/zinc/13/24/27/1038132427.db2.gz FBOJXGZYINKQAT-RBUKOAKNSA-N 1 0 314.473 4.248 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000598613603 1038132546 /nfs/dbraw/zinc/13/25/46/1038132546.db2.gz KNYMHOJJURSHNG-DLBZAZTESA-N 1 0 320.864 4.168 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000598619141 1038135084 /nfs/dbraw/zinc/13/50/84/1038135084.db2.gz BLLPENVCLDJMFO-IAGOWNOFSA-N 1 0 320.864 4.168 20 30 DIEDRO CC1(c2ccccc2)C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000598678064 1038150269 /nfs/dbraw/zinc/15/02/69/1038150269.db2.gz VKPNEHKJHKCNCF-UHFFFAOYSA-N 1 0 302.421 4.015 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)nc1 ZINC000598990590 1038205794 /nfs/dbraw/zinc/20/57/94/1038205794.db2.gz HGJJZKCPZOFTGR-UHFFFAOYSA-N 1 0 321.468 4.259 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000598981736 1038207069 /nfs/dbraw/zinc/20/70/69/1038207069.db2.gz DNDVWVGSFVBCDQ-UHFFFAOYSA-N 1 0 310.344 4.123 20 30 DIEDRO COc1cc(C[NH2+]CC(C)(C)CCC#N)cc(C(F)(F)F)c1 ZINC000598975254 1038207150 /nfs/dbraw/zinc/20/71/50/1038207150.db2.gz YNGNSPSBERXDPN-UHFFFAOYSA-N 1 0 314.351 4.134 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000599005445 1038209664 /nfs/dbraw/zinc/20/96/64/1038209664.db2.gz DWLQARRGAXNUPD-UHFFFAOYSA-N 1 0 302.365 4.329 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)c1 ZINC000599007694 1038212476 /nfs/dbraw/zinc/21/24/76/1038212476.db2.gz TZWZYGJADOPRKT-INIZCTEOSA-N 1 0 302.830 4.440 20 30 DIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000598996833 1038213728 /nfs/dbraw/zinc/21/37/28/1038213728.db2.gz ORRUTMWWBYEYNZ-WGSAOQKQSA-N 1 0 300.446 4.022 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000599018040 1038220552 /nfs/dbraw/zinc/22/05/52/1038220552.db2.gz STLHXTAMOQURKI-UHFFFAOYSA-N 1 0 310.363 4.353 20 30 DIEDRO N#CCC1(C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000599044755 1038223547 /nfs/dbraw/zinc/22/35/47/1038223547.db2.gz DLUIZKFZXOXNCD-MRXNPFEDSA-N 1 0 313.832 4.482 20 30 DIEDRO CN(C)c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000610614578 1038225087 /nfs/dbraw/zinc/22/50/87/1038225087.db2.gz UKECJDVRBOVFNA-LEWJYISDSA-N 1 0 319.452 4.024 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)nc1 ZINC000599070072 1038233498 /nfs/dbraw/zinc/23/34/98/1038233498.db2.gz KDNLQSUMPUCTDB-IBGZPJMESA-N 1 0 319.452 4.207 20 30 DIEDRO N#CC1CC[NH+](Cc2cccc(COc3ccccc3)c2)CC1 ZINC000891852802 1038235460 /nfs/dbraw/zinc/23/54/60/1038235460.db2.gz SVVQJXYGDWTGBB-UHFFFAOYSA-N 1 0 306.409 4.001 20 30 DIEDRO CC1(C#N)CCC([NH2+]C2(c3c(F)cccc3F)CCC2)CC1 ZINC000599092438 1038239212 /nfs/dbraw/zinc/23/92/12/1038239212.db2.gz HFBDNTVHFSSXOY-UHFFFAOYSA-N 1 0 304.384 4.406 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1OC ZINC000599348364 1038270604 /nfs/dbraw/zinc/27/06/04/1038270604.db2.gz JMHODONEPXCAJX-HNNXBMFYSA-N 1 0 324.424 4.043 20 30 DIEDRO CC(C)c1ccc([C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C(C)C)cc1 ZINC000599345680 1038271574 /nfs/dbraw/zinc/27/15/74/1038271574.db2.gz UXPDURNHOXHJOZ-MOPGFXCFSA-N 1 0 314.473 4.151 20 30 DIEDRO Cc1ccc(C[NH+]2CC(c3nc4ccccc4s3)C2)cc1C#N ZINC000599337685 1038272807 /nfs/dbraw/zinc/27/28/07/1038272807.db2.gz FKDJRCNWWQKCBS-UHFFFAOYSA-N 1 0 319.433 4.076 20 30 DIEDRO CCCN(Cc1ccc(OC)cc1)Cc1cc(F)ccc1C#N ZINC000610728655 1038278576 /nfs/dbraw/zinc/27/85/76/1038278576.db2.gz MRMZEZNPXOLPCH-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 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/nfs/dbraw/zinc/31/37/18/1038313718.db2.gz ZKMJZFCPHILWRT-LJQANCHMSA-N 1 0 315.420 4.419 20 30 DIEDRO CCOCC[N@H+](CCCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000599626421 1038323314 /nfs/dbraw/zinc/32/33/14/1038323314.db2.gz VLRQTYLEBZWPQJ-IBGZPJMESA-N 1 0 314.473 4.342 20 30 DIEDRO CCOCC[N@H+](CCCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000599626422 1038324241 /nfs/dbraw/zinc/32/42/41/1038324241.db2.gz VLRQTYLEBZWPQJ-LJQANCHMSA-N 1 0 314.473 4.342 20 30 DIEDRO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000599677004 1038333024 /nfs/dbraw/zinc/33/30/24/1038333024.db2.gz GEIZEACPENTTFU-KSSFIOAISA-N 1 0 324.399 4.256 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCCCC#N ZINC000599653330 1038333445 /nfs/dbraw/zinc/33/34/45/1038333445.db2.gz UWVHTLPHSASCIQ-HIFRSBDPSA-N 1 0 321.262 4.321 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829928 1038373184 /nfs/dbraw/zinc/37/31/84/1038373184.db2.gz SONBJXUUMVFYAN-UONOGXRCSA-N 1 0 309.369 4.187 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccco1 ZINC000796715625 1038394126 /nfs/dbraw/zinc/39/41/26/1038394126.db2.gz HDEMXKIBNNLIKU-GOSISDBHSA-N 1 0 307.397 4.262 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)cc1 ZINC000061556304 1038407625 /nfs/dbraw/zinc/40/76/25/1038407625.db2.gz VAYLQFJHIPZVJZ-INIZCTEOSA-N 1 0 311.425 4.419 20 30 DIEDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1F ZINC000604492996 1038420274 /nfs/dbraw/zinc/42/02/74/1038420274.db2.gz XZLKYSOJQFWCSE-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2C)cc1C#N ZINC000610991999 1038420231 /nfs/dbraw/zinc/42/02/31/1038420231.db2.gz YRUMDZNQZMWLQD-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000604493131 1038420979 /nfs/dbraw/zinc/42/09/79/1038420979.db2.gz RRZAVTIGBGNDFO-UHFFFAOYSA-N 1 0 314.379 4.495 20 30 DIEDRO CCC(CC)([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000610993617 1038421066 /nfs/dbraw/zinc/42/10/66/1038421066.db2.gz WQFLMJMIDUETEN-UHFFFAOYSA-N 1 0 313.832 4.412 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610992125 1038421237 /nfs/dbraw/zinc/42/12/37/1038421237.db2.gz BTUQZOHHFRPAIR-PMACEKPBSA-N 1 0 305.425 4.111 20 30 DIEDRO COCc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000610993666 1038421588 /nfs/dbraw/zinc/42/15/88/1038421588.db2.gz AEYZJVQLKRNEOY-NHCUHLMSSA-N 1 0 320.436 4.105 20 30 DIEDRO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991914 1038422624 /nfs/dbraw/zinc/42/26/24/1038422624.db2.gz WKBKDAQZFLWLQF-NSHDSACASA-N 1 0 320.223 4.453 20 30 DIEDRO Cc1cccc([C@@H]2CCCCC[N@@H+]2Cc2ccnc(C#N)c2)c1 ZINC000610993544 1038423888 /nfs/dbraw/zinc/42/38/88/1038423888.db2.gz XAEFXOSYEDWDIR-FQEVSTJZSA-N 1 0 305.425 4.379 20 30 DIEDRO CCCc1ccc([C@H]([NH2+]Cc2ccnc(C#N)c2)C(C)C)cc1 ZINC000610994241 1038425476 /nfs/dbraw/zinc/42/54/76/1038425476.db2.gz PTKOAFJXQFUDME-HXUWFJFHSA-N 1 0 307.441 4.393 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC001167499553 1038454707 /nfs/dbraw/zinc/45/47/07/1038454707.db2.gz KXKOMNKDZHAVJH-OXQOHEQNSA-N 1 0 320.436 4.192 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000604892976 1038458247 /nfs/dbraw/zinc/45/82/47/1038458247.db2.gz UGRABRWKGMFPBD-INIZCTEOSA-N 1 0 311.425 4.328 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000604892977 1038458792 /nfs/dbraw/zinc/45/87/92/1038458792.db2.gz UGRABRWKGMFPBD-MRXNPFEDSA-N 1 0 311.425 4.328 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000538407397 1038469124 /nfs/dbraw/zinc/46/91/24/1038469124.db2.gz YMIWGLDKLAAWOS-KGLIPLIRSA-N 1 0 314.816 4.330 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768726 1038485807 /nfs/dbraw/zinc/48/58/07/1038485807.db2.gz KPFCPWYPBWWABE-CQSZACIVSA-N 1 0 312.438 4.162 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000605150334 1038494607 /nfs/dbraw/zinc/49/46/07/1038494607.db2.gz JEHDZJBIQAEDCT-SFHVURJKSA-N 1 0 317.473 4.457 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC000605323174 1038506849 /nfs/dbraw/zinc/50/68/49/1038506849.db2.gz LFRVIPADVMESMG-HKUYNNGSSA-N 1 0 317.473 4.182 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000342308938 1038524803 /nfs/dbraw/zinc/52/48/03/1038524803.db2.gz SELHODUDLLRXFB-UHFFFAOYSA-N 1 0 305.472 4.291 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000539263347 1038546671 /nfs/dbraw/zinc/54/66/71/1038546671.db2.gz PRHUULFAYAZUAE-MRXNPFEDSA-N 1 0 324.424 4.075 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000172112925 1038547893 /nfs/dbraw/zinc/54/78/93/1038547893.db2.gz BIEKBLBMWDALLU-UHFFFAOYSA-N 1 0 305.830 4.093 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1Cl ZINC000926370326 1038575409 /nfs/dbraw/zinc/57/54/09/1038575409.db2.gz OUBAZZVPBXSKRS-GOSISDBHSA-N 1 0 311.816 4.238 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)s2)ccc1C#N ZINC000234938219 1038576990 /nfs/dbraw/zinc/57/69/90/1038576990.db2.gz UMQXOURWQKCBGZ-JTQLQIEISA-N 1 0 306.818 4.133 20 30 DIEDRO C=CCCCC[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000827991868 1038597216 /nfs/dbraw/zinc/59/72/16/1038597216.db2.gz YTPULCOFVCQDPU-UHFFFAOYSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CC[N@@H+](CCCc1cnccc1C)Cc1ccc(OC)cc1 ZINC000582267860 1038623681 /nfs/dbraw/zinc/62/36/81/1038623681.db2.gz NHKUCGHZCWEPCD-UHFFFAOYSA-N 1 0 310.441 4.019 20 30 DIEDRO Cc1cnc(C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000277538644 1038630957 /nfs/dbraw/zinc/63/09/57/1038630957.db2.gz RYDZBKADGWJEJQ-AWEZNQCLSA-N 1 0 311.454 4.264 20 30 DIEDRO C=CCC[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000606897326 1038638508 /nfs/dbraw/zinc/63/85/08/1038638508.db2.gz PEVLIYKOAGVJIF-CQSZACIVSA-N 1 0 310.235 4.171 20 30 DIEDRO C=CCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000606897364 1038638891 /nfs/dbraw/zinc/63/88/91/1038638891.db2.gz CXEKZXZQGKQWEM-UHFFFAOYSA-N 1 0 321.424 4.265 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC2(c3cccc(F)c3)CC2)c1 ZINC000606914353 1038640328 /nfs/dbraw/zinc/64/03/28/1038640328.db2.gz LTWPKZWGCKEUOG-UHFFFAOYSA-N 1 0 311.400 4.212 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccccc1 ZINC000657412333 1038651053 /nfs/dbraw/zinc/65/10/53/1038651053.db2.gz CMTAARCIRGQTCI-OAHLLOKOSA-N 1 0 323.362 4.236 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000049525881 1038687476 /nfs/dbraw/zinc/68/74/76/1038687476.db2.gz WGDIBSFJPOULTL-SECBINFHSA-N 1 0 319.040 4.008 20 30 DIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000159104950 1038691895 /nfs/dbraw/zinc/69/18/95/1038691895.db2.gz NNQCTWFIWZZMOD-IHRRRGAJSA-N 1 0 323.362 4.231 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C#N)c1)CCCS2 ZINC000187753008 1038694393 /nfs/dbraw/zinc/69/43/93/1038694393.db2.gz VGWFOMYFCWYHBI-GOSISDBHSA-N 1 0 324.449 4.284 20 30 DIEDRO N#Cc1csc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000127860394 1038702861 /nfs/dbraw/zinc/70/28/61/1038702861.db2.gz IBLUQMFWFMKPHC-AWEZNQCLSA-N 1 0 323.421 4.141 20 30 DIEDRO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000127860177 1038703498 /nfs/dbraw/zinc/70/34/98/1038703498.db2.gz IBLUQMFWFMKPHC-CQSZACIVSA-N 1 0 323.421 4.141 20 30 DIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000479496494 1038711010 /nfs/dbraw/zinc/71/10/10/1038711010.db2.gz JEVYOVPFZUPHMZ-UWJYYQICSA-N 1 0 322.452 4.247 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cnn(CC2CCC2)c1 ZINC000934559333 1038732050 /nfs/dbraw/zinc/73/20/50/1038732050.db2.gz LWKBJWZHPPKXHH-HNNXBMFYSA-N 1 0 302.466 4.054 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000342736490 1038751908 /nfs/dbraw/zinc/75/19/08/1038751908.db2.gz XQTQXVJXSOXMLI-QGZVFWFLSA-N 1 0 324.815 4.100 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2c3ccccc3C[C@H]2C)cc1 ZINC000237379373 1038763610 /nfs/dbraw/zinc/76/36/10/1038763610.db2.gz CJQQSJNHABDCOX-IIBYNOLFSA-N 1 0 305.421 4.112 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000657529255 1038763877 /nfs/dbraw/zinc/76/38/77/1038763877.db2.gz AITVXVPQQBILME-GDBMZVCRSA-N 1 0 318.427 4.128 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000657529649 1038766638 /nfs/dbraw/zinc/76/66/38/1038766638.db2.gz YCJGBGUDHPAVNX-WMZOPIPTSA-N 1 0 312.461 4.237 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000657529647 1038767173 /nfs/dbraw/zinc/76/71/73/1038767173.db2.gz YCJGBGUDHPAVNX-SJLPKXTDSA-N 1 0 312.461 4.237 20 30 DIEDRO C[C@@H](CCC(C)(C)C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000557393154 1038818984 /nfs/dbraw/zinc/81/89/84/1038818984.db2.gz NJRQYKUWRJNRNA-INIZCTEOSA-N 1 0 313.489 4.331 20 30 DIEDRO CCC[C@@]1(C)CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000076145622 1038833161 /nfs/dbraw/zinc/83/31/61/1038833161.db2.gz QBVHROCYEUKAKQ-IBGZPJMESA-N 1 0 324.428 4.010 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1C#N ZINC000174238621 1038907988 /nfs/dbraw/zinc/90/79/88/1038907988.db2.gz JFRAFYSDUCBBSL-UHFFFAOYSA-N 1 0 321.207 4.163 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1C#N ZINC000174309148 1038927711 /nfs/dbraw/zinc/92/77/11/1038927711.db2.gz XXSPDJICHZRGIN-UHFFFAOYSA-N 1 0 302.377 4.010 20 30 DIEDRO C=CCC1([NH2+]Cc2cc3ccccc3cc2OC)CCOCC1 ZINC000657635124 1038930282 /nfs/dbraw/zinc/93/02/82/1038930282.db2.gz WJKGPBSFUWIAQN-UHFFFAOYSA-N 1 0 311.425 4.063 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000657633131 1038931652 /nfs/dbraw/zinc/93/16/52/1038931652.db2.gz IFTGSMAAYCMUOU-UHFFFAOYSA-N 1 0 300.229 4.208 20 30 DIEDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)cc1C#N ZINC000174348008 1038932170 /nfs/dbraw/zinc/93/21/70/1038932170.db2.gz GJLIOAXIVZWOPK-HXUWFJFHSA-N 1 0 306.409 4.198 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000174430310 1038939129 /nfs/dbraw/zinc/93/91/29/1038939129.db2.gz KGNSESCGONGFAV-MRXNPFEDSA-N 1 0 307.441 4.255 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c(F)c1 ZINC000608977274 1038948605 /nfs/dbraw/zinc/94/86/05/1038948605.db2.gz ATYVXEOVUXQEDC-SFHVURJKSA-N 1 0 308.400 4.467 20 30 DIEDRO Cn1cccc1[C@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001167633861 1039011656 /nfs/dbraw/zinc/01/16/56/1039011656.db2.gz GOPHGJQUAYPBBG-LJQANCHMSA-N 1 0 312.844 4.257 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCCC1 ZINC000456271987 1039012767 /nfs/dbraw/zinc/01/27/67/1039012767.db2.gz YGTJHRLOATUVAI-SFHVURJKSA-N 1 0 312.457 4.311 20 30 DIEDRO Cc1ccc(C[NH+]2CCCCC2)cc1NCc1ccccc1C#N ZINC001167637197 1039028533 /nfs/dbraw/zinc/02/85/33/1039028533.db2.gz LVNQUZCJXVLZPH-UHFFFAOYSA-N 1 0 319.452 4.465 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(OC(C)C)CC2)cc1Cl ZINC000534342884 1039029258 /nfs/dbraw/zinc/02/92/58/1039029258.db2.gz MYASXEBZTNNMFP-UHFFFAOYSA-N 1 0 323.864 4.294 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccncc1Cl ZINC000594517706 1039068471 /nfs/dbraw/zinc/06/84/71/1039068471.db2.gz LZKQQRRHPWMAHB-ZDUSSCGKSA-N 1 0 311.816 4.337 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccco1 ZINC000796846576 1039123383 /nfs/dbraw/zinc/12/33/83/1039123383.db2.gz OBXQHKRNHMDBJX-JKSUJKDBSA-N 1 0 323.795 4.403 20 30 DIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000218862204 1039179496 /nfs/dbraw/zinc/17/94/96/1039179496.db2.gz KHQWPYLNSXATNS-IAGOWNOFSA-N 1 0 324.468 4.304 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCCCCn1cccn1)c1ccc(F)c(F)c1 ZINC000187776971 1039191693 /nfs/dbraw/zinc/19/16/93/1039191693.db2.gz SCPKHEWAIDONPQ-SFHVURJKSA-N 1 0 319.399 4.239 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000278155109 1039225216 /nfs/dbraw/zinc/22/52/16/1039225216.db2.gz ANGRYFHKXJONGY-FZKQIMNGSA-N 1 0 309.369 4.268 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000176636938 1039261068 /nfs/dbraw/zinc/26/10/68/1039261068.db2.gz WXGVILCCHNGAKS-SFHVURJKSA-N 1 0 304.393 4.094 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000539496018 1039273487 /nfs/dbraw/zinc/27/34/87/1039273487.db2.gz HYFCCNUQYSKCKQ-KGLIPLIRSA-N 1 0 314.816 4.330 20 30 DIEDRO COc1cccc(C(C)(C)C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000539506952 1039274692 /nfs/dbraw/zinc/27/46/92/1039274692.db2.gz DRGBUGYESXOLAX-OAHLLOKOSA-N 1 0 308.425 4.195 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000539507258 1039275188 /nfs/dbraw/zinc/27/51/88/1039275188.db2.gz GQSJERIZWQILKH-CQSZACIVSA-N 1 0 303.402 4.075 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCOc2ccc(Cl)cc2)s1 ZINC000539510816 1039277652 /nfs/dbraw/zinc/27/76/52/1039277652.db2.gz NTZOFANIQGTORH-UHFFFAOYSA-N 1 0 320.845 4.222 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000539508415 1039278596 /nfs/dbraw/zinc/27/85/96/1039278596.db2.gz XKSCBQNDLNNXPD-KBPBESRZSA-N 1 0 314.816 4.330 20 30 DIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000583330289 1039280509 /nfs/dbraw/zinc/28/05/09/1039280509.db2.gz UACNCHLXWMMOII-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000583330288 1039280851 /nfs/dbraw/zinc/28/08/51/1039280851.db2.gz UACNCHLXWMMOII-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1ccc(C#N)cc1 ZINC000278206874 1039284613 /nfs/dbraw/zinc/28/46/13/1039284613.db2.gz HHZCJDJVLYWGCU-KUHUBIRLSA-N 1 0 324.424 4.377 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccsc2)cc1OC ZINC000669830920 1039294176 /nfs/dbraw/zinc/29/41/76/1039294176.db2.gz CKORYJCNDUVMMI-ZDUSSCGKSA-N 1 0 303.427 4.172 20 30 DIEDRO Cc1ccc(OCCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000539610155 1039297835 /nfs/dbraw/zinc/29/78/35/1039297835.db2.gz SXWNSCOHCCUCNA-HNNXBMFYSA-N 1 0 312.388 4.126 20 30 DIEDRO C=C(C)COc1cc(C[N@H+](C)[C@H](C)CCSC)ccc1OC ZINC000539819395 1039348435 /nfs/dbraw/zinc/34/84/35/1039348435.db2.gz DJWQUERMLYEIEA-OAHLLOKOSA-N 1 0 323.502 4.224 20 30 DIEDRO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)CCSC)ccc1OC ZINC000539819394 1039349170 /nfs/dbraw/zinc/34/91/70/1039349170.db2.gz DJWQUERMLYEIEA-HNNXBMFYSA-N 1 0 323.502 4.224 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000539822870 1039354341 /nfs/dbraw/zinc/35/43/41/1039354341.db2.gz VQCFZTUVZWUZCU-JSGCOSHPSA-N 1 0 300.402 4.137 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cccc4cc[nH]c43)CC2)cc1 ZINC000539924451 1039390399 /nfs/dbraw/zinc/39/03/99/1039390399.db2.gz CYWXZIREHCNORX-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO COCC1(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCC1 ZINC000340444843 1039415699 /nfs/dbraw/zinc/41/56/99/1039415699.db2.gz OUAHLJRUSGGWHW-LJQANCHMSA-N 1 0 312.457 4.122 20 30 DIEDRO C=C(C)COCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000540155545 1039434532 /nfs/dbraw/zinc/43/45/32/1039434532.db2.gz AYXWWWXDEYDKII-AEFFLSMTSA-N 1 0 321.436 4.043 20 30 DIEDRO CC[C@@H](CSC)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000540198167 1039455470 /nfs/dbraw/zinc/45/54/70/1039455470.db2.gz FXYHKSKRVFCNQC-HNNXBMFYSA-N 1 0 315.404 4.130 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccccc1 ZINC000448132860 1039463788 /nfs/dbraw/zinc/46/37/88/1039463788.db2.gz QSVXXHNUZQOTTF-IBGZPJMESA-N 1 0 308.425 4.312 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000540297963 1039470468 /nfs/dbraw/zinc/47/04/68/1039470468.db2.gz VSVVHNBAAYSPIS-INIZCTEOSA-N 1 0 302.462 4.316 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000540317213 1039474026 /nfs/dbraw/zinc/47/40/26/1039474026.db2.gz IHUNVHWZCOZXRA-SJORKVTESA-N 1 0 307.359 4.225 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)c1 ZINC000540328693 1039479357 /nfs/dbraw/zinc/47/93/57/1039479357.db2.gz RAZNBQBNHKFZEG-MRXNPFEDSA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)Oc1cccc(Cl)c1 ZINC000463234043 1039491786 /nfs/dbraw/zinc/49/17/86/1039491786.db2.gz QYOYLATZWQDZLC-VNQPRFMTSA-N 1 0 306.837 4.169 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C2CC2)ccc1F ZINC000540520054 1039510978 /nfs/dbraw/zinc/51/09/78/1039510978.db2.gz HNWCDKCLNABFBR-LJQANCHMSA-N 1 0 312.363 4.386 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc2ccccc2c1)c1cccc(C#N)c1 ZINC000540594476 1039520108 /nfs/dbraw/zinc/52/01/08/1039520108.db2.gz VSMQXUDKSZQSNO-MRXNPFEDSA-N 1 0 316.404 4.441 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000540604951 1039526095 /nfs/dbraw/zinc/52/60/95/1039526095.db2.gz BBTBSUFFABBJJZ-CABCVRRESA-N 1 0 309.409 4.421 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000540604938 1039526543 /nfs/dbraw/zinc/52/65/43/1039526543.db2.gz DTDDQAXYWSQQJL-KSMMKXTCSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(OCc2cccnc2)cc1 ZINC000540712228 1039553128 /nfs/dbraw/zinc/55/31/28/1039553128.db2.gz LAVFDOASNIPRBP-INIZCTEOSA-N 1 0 323.440 4.251 20 30 DIEDRO CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000158691038 1039562594 /nfs/dbraw/zinc/56/25/94/1039562594.db2.gz JWSRQKVXIGWLAT-UHFFFAOYSA-N 1 0 307.441 4.059 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(C#N)cc1 ZINC000278611031 1039592100 /nfs/dbraw/zinc/59/21/00/1039592100.db2.gz FRAKLZAEYWZELS-GOSISDBHSA-N 1 0 311.404 4.004 20 30 DIEDRO COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(CC#N)CC1 ZINC000540995065 1039607314 /nfs/dbraw/zinc/60/73/14/1039607314.db2.gz IMGDAMTUIWJAGV-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO CC(C)OCCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000541230646 1039647818 /nfs/dbraw/zinc/64/78/18/1039647818.db2.gz DCTIKYXQESPUJY-UHFFFAOYSA-N 1 0 314.473 4.185 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)cc1 ZINC000541280974 1039653517 /nfs/dbraw/zinc/65/35/17/1039653517.db2.gz BBNAUHZCMHKABQ-HXUWFJFHSA-N 1 0 306.409 4.098 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000541314657 1039662021 /nfs/dbraw/zinc/66/20/21/1039662021.db2.gz IFFWIOYVEQMTBO-IERDGZPVSA-N 1 0 320.436 4.344 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000541314656 1039662619 /nfs/dbraw/zinc/66/26/19/1039662619.db2.gz IFFWIOYVEQMTBO-HRAATJIYSA-N 1 0 320.436 4.344 20 30 DIEDRO COc1cccc(CCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000541318470 1039663530 /nfs/dbraw/zinc/66/35/30/1039663530.db2.gz MJVVUAQBSUYZMR-UHFFFAOYSA-N 1 0 320.436 4.164 20 30 DIEDRO CC[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000278725377 1039678007 /nfs/dbraw/zinc/67/80/07/1039678007.db2.gz MJOSCYMJHNVZRC-VQTJNVASSA-N 1 0 308.425 4.113 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(Cl)s2)C2CC2)cc1 ZINC000541554371 1039702438 /nfs/dbraw/zinc/70/24/38/1039702438.db2.gz ZGFVREOHLJEVKW-UHFFFAOYSA-N 1 0 302.830 4.438 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC(C)(C)C1 ZINC000541553493 1039703448 /nfs/dbraw/zinc/70/34/48/1039703448.db2.gz QSROVWZMEJWUQZ-MRXNPFEDSA-N 1 0 300.446 4.237 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCCCS2)CC1 ZINC000541554919 1039704086 /nfs/dbraw/zinc/70/40/86/1039704086.db2.gz APGAWEMSOOOTMA-XBMUEBEBSA-N 1 0 314.498 4.266 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000541596817 1039711249 /nfs/dbraw/zinc/71/12/49/1039711249.db2.gz FLMPYLBQQBAIGZ-ZWKOTPCHSA-N 1 0 315.482 4.257 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000541626863 1039719040 /nfs/dbraw/zinc/71/90/40/1039719040.db2.gz FNNKRCRARYZTCO-XLIONFOSSA-N 1 0 309.453 4.124 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccccc1OC(F)F ZINC000491329239 1039772187 /nfs/dbraw/zinc/77/21/87/1039772187.db2.gz LWYVSFDXTKFYND-UHFFFAOYSA-N 1 0 307.340 4.112 20 30 DIEDRO C[C@@H](Cc1ccsc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000542152136 1039803953 /nfs/dbraw/zinc/80/39/53/1039803953.db2.gz HPORFULDAMFEJD-HNNXBMFYSA-N 1 0 308.450 4.340 20 30 DIEDRO CC(C)Oc1ccccc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271834731 1039839972 /nfs/dbraw/zinc/83/99/72/1039839972.db2.gz VAJIUJXNHYRDQN-UHFFFAOYSA-N 1 0 306.409 4.124 20 30 DIEDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000030150813 1039873207 /nfs/dbraw/zinc/87/32/07/1039873207.db2.gz CEIOPVPJNFVHAF-KUHUBIRLSA-N 1 0 306.409 4.439 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1 ZINC000271896554 1039874896 /nfs/dbraw/zinc/87/48/96/1039874896.db2.gz ULHGTRZILKZFFA-JXFKEZNVSA-N 1 0 322.452 4.011 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000271919603 1039892722 /nfs/dbraw/zinc/89/27/22/1039892722.db2.gz DGPGFNHXLYXUOJ-APPDUMDISA-N 1 0 314.335 4.011 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000271938939 1039910052 /nfs/dbraw/zinc/91/00/52/1039910052.db2.gz KZXMXTWGSFPBTP-UGSOOPFHSA-N 1 0 310.372 4.262 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccnc1 ZINC000271982054 1039944431 /nfs/dbraw/zinc/94/44/31/1039944431.db2.gz XCWFNBQAYUSJJV-KBXCAEBGSA-N 1 0 311.404 4.183 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cccnc1 ZINC000271982066 1039948120 /nfs/dbraw/zinc/94/81/20/1039948120.db2.gz XCWFNBQAYUSJJV-RDTXWAMCSA-N 1 0 311.404 4.183 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)ccc1C#N ZINC000443972548 1039983759 /nfs/dbraw/zinc/98/37/59/1039983759.db2.gz WXHBQMJGOGLMGG-UHFFFAOYSA-N 1 0 320.314 4.055 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(OCC#N)cc1 ZINC000171405038 1039996666 /nfs/dbraw/zinc/99/66/66/1039996666.db2.gz BZCPSYYNDQJBTQ-GUYCJALGSA-N 1 0 312.438 4.379 20 30 DIEDRO Cc1cc(CNc2ccc(CC[NH+]3CCCC3)cc2)ccc1C#N ZINC000443984958 1040002732 /nfs/dbraw/zinc/00/27/32/1040002732.db2.gz GCTUGQKCWPPCKJ-UHFFFAOYSA-N 1 0 319.452 4.117 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)ccc1C#N ZINC000443998873 1040014668 /nfs/dbraw/zinc/01/46/68/1040014668.db2.gz AACIBWUBWOMJMS-RNODOKPDSA-N 1 0 308.400 4.419 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(-c3ccncc3)cc2)ccc1C#N ZINC000443996670 1040014795 /nfs/dbraw/zinc/01/47/95/1040014795.db2.gz VIYRFGMEBLTGFF-UHFFFAOYSA-N 1 0 313.404 4.219 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1C#N ZINC000444000606 1040014961 /nfs/dbraw/zinc/01/49/61/1040014961.db2.gz WLFJMTUAWFMWHA-BBRMVZONSA-N 1 0 310.363 4.325 20 30 DIEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCCSCC#N ZINC000175438318 1040035189 /nfs/dbraw/zinc/03/51/89/1040035189.db2.gz VJQLJSCXKQKZDB-ZIAGYGMSSA-N 1 0 310.894 4.411 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000685455888 1040061211 /nfs/dbraw/zinc/06/12/11/1040061211.db2.gz CIFQSJGJJCQZPO-UHFFFAOYSA-N 1 0 308.425 4.026 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C[C@@H](C)O)c1ccccc1 ZINC000657905437 1040110334 /nfs/dbraw/zinc/11/03/34/1040110334.db2.gz KMDOBEYAUOARNC-LMCOJAPRSA-N 1 0 301.474 4.266 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000611967401 1040136294 /nfs/dbraw/zinc/13/62/94/1040136294.db2.gz HVFSIYQCUXPXPP-CYBMUJFWSA-N 1 0 314.429 4.140 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000657924182 1040178857 /nfs/dbraw/zinc/17/88/57/1040178857.db2.gz QZRMXCRXAFNXIE-VXLLPVPCSA-N 1 0 303.450 4.129 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000657929468 1040183909 /nfs/dbraw/zinc/18/39/09/1040183909.db2.gz HSZFMJYRWDFNOS-WBVHZDCISA-N 1 0 311.429 4.004 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000657928880 1040186047 /nfs/dbraw/zinc/18/60/47/1040186047.db2.gz WBVZFEWLESRNTR-GDBMZVCRSA-N 1 0 313.470 4.430 20 30 DIEDRO O=C(/C=C\c1cnc2ccccn12)c1cccc(C(F)(F)F)c1 ZINC000255625915 1040221653 /nfs/dbraw/zinc/22/16/53/1040221653.db2.gz WTTZMLPQCQVTTJ-FPLPWBNLSA-N 1 0 316.282 4.249 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000657989982 1040258880 /nfs/dbraw/zinc/25/88/80/1040258880.db2.gz QHKGBDZNZRGRFC-BPQIPLTHSA-N 1 0 301.478 4.046 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000658062136 1040286312 /nfs/dbraw/zinc/28/63/12/1040286312.db2.gz YHBFTDYTPINNAG-NFAWXSAZSA-N 1 0 300.402 4.319 20 30 DIEDRO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000179320390 1040388604 /nfs/dbraw/zinc/38/86/04/1040388604.db2.gz LVGJXPSDSPUGQU-UHFFFAOYSA-N 1 0 314.816 4.149 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000179327644 1040390112 /nfs/dbraw/zinc/39/01/12/1040390112.db2.gz OXZHOKGTWKBJDD-MRXNPFEDSA-N 1 0 324.424 4.008 20 30 DIEDRO N#Cc1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000310408140 1040494141 /nfs/dbraw/zinc/49/41/41/1040494141.db2.gz WCWDWRAAHWHHRY-SFHVURJKSA-N 1 0 323.415 4.021 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000564054412 1040583918 /nfs/dbraw/zinc/58/39/18/1040583918.db2.gz RHOXEOZCEHXXRG-UHFFFAOYSA-N 1 0 319.861 4.493 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cccc2cccnc21 ZINC000065959614 1040628182 /nfs/dbraw/zinc/62/81/82/1040628182.db2.gz FLSNIQDHDXQEFN-UHFFFAOYSA-N 1 0 302.421 4.466 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000444690492 1040636980 /nfs/dbraw/zinc/63/69/80/1040636980.db2.gz SVZFKHIMHZLVQY-CQSZACIVSA-N 1 0 306.400 4.474 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000236690062 1040645092 /nfs/dbraw/zinc/64/50/92/1040645092.db2.gz NYGOQCOVVCHQJC-UHFFFAOYSA-N 1 0 313.272 4.124 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC1CC1)CC2 ZINC000580134491 1040794227 /nfs/dbraw/zinc/79/42/27/1040794227.db2.gz FJXRAFDEQUTEQK-HXUWFJFHSA-N 1 0 318.420 4.124 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000414101164 1040859638 /nfs/dbraw/zinc/85/96/38/1040859638.db2.gz STERUKVBZIQJSN-HNNXBMFYSA-N 1 0 306.409 4.215 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)CC2 ZINC000582389756 1040918121 /nfs/dbraw/zinc/91/81/21/1040918121.db2.gz BAGOPIJFMHJYNR-NJYVYQBISA-N 1 0 318.420 4.055 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000180559521 1041172303 /nfs/dbraw/zinc/17/23/03/1041172303.db2.gz COCQCEWLCBDONC-QGZVFWFLSA-N 1 0 308.425 4.008 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180555062 1041172474 /nfs/dbraw/zinc/17/24/74/1041172474.db2.gz MTIFOQJSPKALHM-LJQANCHMSA-N 1 0 308.425 4.008 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000809602829 1041201110 /nfs/dbraw/zinc/20/11/10/1041201110.db2.gz ARPLSLLIYPXJKL-UHFFFAOYSA-N 1 0 315.338 4.466 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)cc1 ZINC000809626105 1041206722 /nfs/dbraw/zinc/20/67/22/1041206722.db2.gz BLJQBFNVOCLMCX-HNNXBMFYSA-N 1 0 323.411 4.447 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000809639276 1041209585 /nfs/dbraw/zinc/20/95/85/1041209585.db2.gz JCRPVXLSCQLQKR-RTWAWAEBSA-N 1 0 323.411 4.159 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000809639278 1041210669 /nfs/dbraw/zinc/21/06/69/1041210669.db2.gz JCRPVXLSCQLQKR-SFTDATJTSA-N 1 0 323.411 4.159 20 30 DIEDRO C#C[C@H]([NH2+]CCCc1ccc(C)nc1)c1ccc(Cl)cc1F ZINC000809698684 1041213841 /nfs/dbraw/zinc/21/38/41/1041213841.db2.gz GPNXNPCMUICCPZ-SFHVURJKSA-N 1 0 316.807 4.079 20 30 DIEDRO C#C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1F ZINC000809700011 1041219800 /nfs/dbraw/zinc/21/98/00/1041219800.db2.gz VUDRHQDFPKQAEJ-QGZVFWFLSA-N 1 0 322.855 4.006 20 30 DIEDRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000613540399 1041234464 /nfs/dbraw/zinc/23/44/64/1041234464.db2.gz UQBCBCWJXVZTHZ-SQRWCISFSA-N 1 0 300.446 4.102 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl)C(C)(C)C ZINC000809781219 1041255092 /nfs/dbraw/zinc/25/50/92/1041255092.db2.gz JPTXRKSHSPYFFR-BBRMVZONSA-N 1 0 320.864 4.003 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000309444089 1041263999 /nfs/dbraw/zinc/26/39/99/1041263999.db2.gz KWPWXCGGJDCGMY-NSHDSACASA-N 1 0 300.265 4.273 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H](CC)CCCCCC)C2)C1=O ZINC001170593464 1041290162 /nfs/dbraw/zinc/29/01/62/1041290162.db2.gz RQSXWQSDENPGKN-AZUAARDMSA-N 1 0 320.521 4.236 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000424301466 1041300511 /nfs/dbraw/zinc/30/05/11/1041300511.db2.gz ZYJXMKNUBRIAIV-GLQYFDAESA-N 1 0 309.862 4.058 20 30 DIEDRO C[C@H](Nc1ccc([C@H]2CC[N@H+](C)C2)cc1)c1cccc(C#N)c1 ZINC001167709824 1041309996 /nfs/dbraw/zinc/30/99/96/1041309996.db2.gz YELYPMPSMPGDQP-KXBFYZLASA-N 1 0 305.425 4.150 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129616 1041314169 /nfs/dbraw/zinc/31/41/69/1041314169.db2.gz IAKBFOHLAHDWHS-HOTGVXAUSA-N 1 0 300.446 4.209 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129776 1041315428 /nfs/dbraw/zinc/31/54/28/1041315428.db2.gz IAKBFOHLAHDWHS-JKSUJKDBSA-N 1 0 300.446 4.209 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)c1 ZINC000810144457 1041320655 /nfs/dbraw/zinc/32/06/55/1041320655.db2.gz ABJLRVJHWCLSFG-ATZDWAIDSA-N 1 0 312.457 4.450 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000311722663 1041338799 /nfs/dbraw/zinc/33/87/99/1041338799.db2.gz MNLIBDHPLNUHMJ-LLVKDONJSA-N 1 0 324.218 4.049 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000414497586 1041362549 /nfs/dbraw/zinc/36/25/49/1041362549.db2.gz GHUNLOZGDVUMPU-DZGCQCFKSA-N 1 0 300.789 4.231 20 30 DIEDRO COC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000290244504 1041384501 /nfs/dbraw/zinc/38/45/01/1041384501.db2.gz JLJGGJBHBAHQJG-FZKQIMNGSA-N 1 0 314.816 4.250 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000613667779 1041419760 /nfs/dbraw/zinc/41/97/60/1041419760.db2.gz REUWRNNBOGUGEX-MOXGXCLJSA-N 1 0 306.409 4.066 20 30 DIEDRO N#CCCCC[NH2+][C@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000892929359 1041421787 /nfs/dbraw/zinc/42/17/87/1041421787.db2.gz ICVHURKLMLEAFE-CJNGLKHVSA-N 1 0 310.363 4.414 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cc(C)nc2c1CCCC2)c1ccncc1 ZINC000892971826 1041445771 /nfs/dbraw/zinc/44/57/71/1041445771.db2.gz DIIKUQUQXUEXKV-IBGZPJMESA-N 1 0 307.441 4.071 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC([NH3+])(CC)CC ZINC000415585575 1041466130 /nfs/dbraw/zinc/46/61/30/1041466130.db2.gz UTRYYZVXXRBUMV-UHFFFAOYSA-N 1 0 317.477 4.178 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415578434 1041466726 /nfs/dbraw/zinc/46/67/26/1041466726.db2.gz IQBGVRDHSNEBJZ-HNNXBMFYSA-N 1 0 317.477 4.178 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cccc(F)c1 ZINC000728711495 1041471506 /nfs/dbraw/zinc/47/15/06/1041471506.db2.gz BDQPSXAVPVGGMR-GJZGRUSLSA-N 1 0 312.388 4.010 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728713314 1041480731 /nfs/dbraw/zinc/48/07/31/1041480731.db2.gz ZDSMDAYEASPDKQ-CVEARBPZSA-N 1 0 324.424 4.145 20 30 DIEDRO C=CCN(CC1CCCCC1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415919858 1041505918 /nfs/dbraw/zinc/50/59/18/1041505918.db2.gz OHSDNIQNUNEDGA-UHFFFAOYSA-N 1 0 315.461 4.006 20 30 DIEDRO CC(C)(NCc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000103481948 1041520698 /nfs/dbraw/zinc/52/06/98/1041520698.db2.gz LZRGNKCKDYLDLH-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1ccc(F)cc1Cl ZINC000811497307 1041526101 /nfs/dbraw/zinc/52/61/01/1041526101.db2.gz VOPFIYGMDRLNHH-SFHVURJKSA-N 1 0 314.791 4.170 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000811517112 1041529010 /nfs/dbraw/zinc/52/90/10/1041529010.db2.gz IGAIGZJQUDUNGX-HNNXBMFYSA-N 1 0 306.192 4.163 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000811516070 1041529125 /nfs/dbraw/zinc/52/91/25/1041529125.db2.gz DBMFPNIXLPFCEJ-GOSISDBHSA-N 1 0 317.860 4.343 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccn(C(C)C)n1)c1ccc(Cl)cc1 ZINC000811516829 1041529422 /nfs/dbraw/zinc/52/94/22/1041529422.db2.gz VVOZFGHAURDATQ-KBXCAEBGSA-N 1 0 315.848 4.013 20 30 DIEDRO CC(C)CC1(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CCC1 ZINC000236673248 1041538484 /nfs/dbraw/zinc/53/84/84/1041538484.db2.gz NHPYTZUAKMHUCI-INIZCTEOSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(OC)c1F)c1ccccc1 ZINC000893192260 1041546833 /nfs/dbraw/zinc/54/68/33/1041546833.db2.gz SRHJTWXDWGIFGI-MRXNPFEDSA-N 1 0 300.377 4.026 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC001132952670 1041555052 /nfs/dbraw/zinc/55/50/52/1041555052.db2.gz RKCAWCFGLHOQGB-UHFFFAOYSA-N 1 0 312.457 4.357 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1 ZINC000365795454 1041563463 /nfs/dbraw/zinc/56/34/63/1041563463.db2.gz NRZVNRFHLDBRNL-OALUTQOASA-N 1 0 312.457 4.481 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1 ZINC000365795456 1041563541 /nfs/dbraw/zinc/56/35/41/1041563541.db2.gz NRZVNRFHLDBRNL-RTBURBONSA-N 1 0 312.457 4.481 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccc(C#N)cc1 ZINC001170655080 1041586596 /nfs/dbraw/zinc/58/65/96/1041586596.db2.gz OXLQVZJFJXAEJD-PXAZEXFGSA-N 1 0 312.363 4.045 20 30 DIEDRO C#CCCCCCCCCC(=O)NC(C[NH3+])(CCC)CCC ZINC001221373303 1041587071 /nfs/dbraw/zinc/58/70/71/1041587071.db2.gz HFFUPMHVMVVKTE-UHFFFAOYSA-N 1 0 308.510 4.154 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000236686254 1041592078 /nfs/dbraw/zinc/59/20/78/1041592078.db2.gz DRWZKNBDVZVAHN-NRFANRHFSA-N 1 0 305.421 4.256 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000747815393 1041648037 /nfs/dbraw/zinc/64/80/37/1041648037.db2.gz GNNZLOFUPPDOFZ-QRWLVFNGSA-N 1 0 324.399 4.284 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000747815394 1041648199 /nfs/dbraw/zinc/64/81/99/1041648199.db2.gz GNNZLOFUPPDOFZ-YWZLYKJASA-N 1 0 324.399 4.284 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000812857359 1041653039 /nfs/dbraw/zinc/65/30/39/1041653039.db2.gz MLJWICSELOZARG-UZLBHIALSA-N 1 0 317.473 4.185 20 30 DIEDRO CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849044 1041656721 /nfs/dbraw/zinc/65/67/21/1041656721.db2.gz FWBNNIWGGLXYIW-AEFFLSMTSA-N 1 0 302.462 4.150 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812900168 1041660919 /nfs/dbraw/zinc/66/09/19/1041660919.db2.gz QFGRVFTVMGKCBE-CVEARBPZSA-N 1 0 315.461 4.002 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000236693834 1041661679 /nfs/dbraw/zinc/66/16/79/1041661679.db2.gz JIGSNVIKPGXWRN-UHFFFAOYSA-N 1 0 301.389 4.142 20 30 DIEDRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417359542 1041662912 /nfs/dbraw/zinc/66/29/12/1041662912.db2.gz GRENYJYNWVMBJW-LIRRHRJNSA-N 1 0 305.425 4.244 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000236694044 1041663010 /nfs/dbraw/zinc/66/30/10/1041663010.db2.gz BEERQKQLVBZBBF-GOSISDBHSA-N 1 0 309.434 4.025 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCNc2ccccc21 ZINC000417366293 1041665483 /nfs/dbraw/zinc/66/54/83/1041665483.db2.gz NDBQOCZNKMDRLV-SFTDATJTSA-N 1 0 317.436 4.472 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000417373700 1041666452 /nfs/dbraw/zinc/66/64/52/1041666452.db2.gz XPGCCWQNJPZTBV-QRWLVFNGSA-N 1 0 319.452 4.352 20 30 DIEDRO N#CC1(c2ccccn2)CC[NH+](CCCC2CCCCC2)CC1 ZINC000584866286 1041695312 /nfs/dbraw/zinc/69/53/12/1041695312.db2.gz QHMIDOIWJSRYNY-UHFFFAOYSA-N 1 0 311.473 4.299 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2occc2c1 ZINC000418136834 1041729868 /nfs/dbraw/zinc/72/98/68/1041729868.db2.gz AYMCMRPSFHIPSO-LJQANCHMSA-N 1 0 302.377 4.472 20 30 DIEDRO N#CC1(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCC1 ZINC000418137923 1041730370 /nfs/dbraw/zinc/73/03/70/1041730370.db2.gz FLTZDHLASVPXOR-UHFFFAOYSA-N 1 0 300.402 4.338 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1=Cc2ccccc2OC1 ZINC000418140752 1041730810 /nfs/dbraw/zinc/73/08/10/1041730810.db2.gz FSGPWOSRMZBTJH-FQEVSTJZSA-N 1 0 316.404 4.001 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2ccccc2F)cc1 ZINC000813792808 1041732037 /nfs/dbraw/zinc/73/20/37/1041732037.db2.gz XCCRWJAOEYMDNV-AWEZNQCLSA-N 1 0 312.388 4.141 20 30 DIEDRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC1(C#N)CCC1 ZINC000418145961 1041732844 /nfs/dbraw/zinc/73/28/44/1041732844.db2.gz ZVVKFBIVONYMMG-JYRVWZFOSA-N 1 0 308.347 4.392 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000216700791 1041745043 /nfs/dbraw/zinc/74/50/43/1041745043.db2.gz NIPCKTNKTDJHPQ-CQSZACIVSA-N 1 0 306.365 4.034 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000709386423 1041754473 /nfs/dbraw/zinc/75/44/73/1041754473.db2.gz WAVBTNNJKNPDHI-UTSKFRMZSA-N 1 0 322.493 4.107 20 30 DIEDRO Cc1cccc(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1C ZINC000814170340 1041782805 /nfs/dbraw/zinc/78/28/05/1041782805.db2.gz VRKWXEZTNKZOPR-MRXNPFEDSA-N 1 0 308.425 4.226 20 30 DIEDRO CC[NH+](CC)Cc1ccc(CNc2nc(C)cc(C)c2C#N)cc1 ZINC000015140739 1041797100 /nfs/dbraw/zinc/79/71/00/1041797100.db2.gz APBFQBDNKMCTII-UHFFFAOYSA-N 1 0 322.456 4.024 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000274313077 1041799786 /nfs/dbraw/zinc/79/97/86/1041799786.db2.gz UXDJNHNZXMCNJZ-BOUXLOLZSA-N 1 0 324.399 4.268 20 30 DIEDRO CN(C)c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000814304312 1041808193 /nfs/dbraw/zinc/80/81/93/1041808193.db2.gz KABXGQDPHFFBKA-HXUWFJFHSA-N 1 0 307.441 4.277 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccccc1 ZINC000747930144 1041808601 /nfs/dbraw/zinc/80/86/01/1041808601.db2.gz YPVUWZQVOKGBKS-LJQANCHMSA-N 1 0 301.393 4.369 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC001134279290 1041812037 /nfs/dbraw/zinc/81/20/37/1041812037.db2.gz NJBQIHASZPXEJC-GOSISDBHSA-N 1 0 310.526 4.316 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)s1 ZINC000124536223 1041841481 /nfs/dbraw/zinc/84/14/81/1041841481.db2.gz VOIROKUJQRZXMQ-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cccc2nsnc21)c1ccccc1 ZINC000814661140 1041845245 /nfs/dbraw/zinc/84/52/45/1041845245.db2.gz WBVOHSHLNKLEHR-INIZCTEOSA-N 1 0 322.437 4.216 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814658344 1041845605 /nfs/dbraw/zinc/84/56/05/1041845605.db2.gz ZXYRXOVLBONYKN-JKSUJKDBSA-N 1 0 316.445 4.429 20 30 DIEDRO CCCC[N@H+](CCCC(C)(C)C#N)[C@H]1CCc2ncsc2C1 ZINC000592188979 1041864018 /nfs/dbraw/zinc/86/40/18/1041864018.db2.gz RWYRLVXNFWHTII-HNNXBMFYSA-N 1 0 319.518 4.432 20 30 DIEDRO C=CC(C)(C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001134746912 1041886317 /nfs/dbraw/zinc/88/63/17/1041886317.db2.gz APOFTQUFQGQDRB-UHFFFAOYSA-N 1 0 322.452 4.013 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000661119711 1041889767 /nfs/dbraw/zinc/88/97/67/1041889767.db2.gz WKOZHTXPZIQTRP-TZMCWYRMSA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncsc1Br ZINC000661116612 1041890374 /nfs/dbraw/zinc/89/03/74/1041890374.db2.gz YXLSADUQUCSZHR-WDEREUQCSA-N 1 0 315.280 4.130 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2nccn2C)c2ccccc2)C1 ZINC000651725220 1041896232 /nfs/dbraw/zinc/89/62/32/1041896232.db2.gz WVAMGOIIHHZNJI-NEWSRXKRSA-N 1 0 309.457 4.038 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](Cc2nccn2C)c2ccccc2)C1 ZINC000651725219 1041896309 /nfs/dbraw/zinc/89/63/09/1041896309.db2.gz WVAMGOIIHHZNJI-BHIYHBOVSA-N 1 0 309.457 4.038 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C1 ZINC000651740844 1041900531 /nfs/dbraw/zinc/90/05/31/1041900531.db2.gz PGYGDEPAKVMZQQ-QRQLOZEOSA-N 1 0 301.474 4.123 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000815090717 1041908717 /nfs/dbraw/zinc/90/87/17/1041908717.db2.gz KUQQOOAJBOEXIJ-IVMMDQJWSA-N 1 0 308.347 4.187 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000815090719 1041909177 /nfs/dbraw/zinc/90/91/77/1041909177.db2.gz KUQQOOAJBOEXIJ-XPKDYRNWSA-N 1 0 308.347 4.187 20 30 DIEDRO C[C@H](C#N)OCC[N@@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC000815150603 1041927227 /nfs/dbraw/zinc/92/72/27/1041927227.db2.gz BPDYFICPKXUZHI-WBVHZDCISA-N 1 0 320.864 4.056 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378535 1041929458 /nfs/dbraw/zinc/92/94/58/1041929458.db2.gz IGMXRVDSMVNOQU-JKSUJKDBSA-N 1 0 311.429 4.394 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000661379019 1041929822 /nfs/dbraw/zinc/92/98/22/1041929822.db2.gz QRORRJZFBMMAHL-OLZOCXBDSA-N 1 0 303.431 4.147 20 30 DIEDRO CCC[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCCCO1 ZINC000487355128 1041942753 /nfs/dbraw/zinc/94/27/53/1041942753.db2.gz LPIJNMVCWXDXDI-SFHVURJKSA-N 1 0 314.473 4.269 20 30 DIEDRO CSCc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594938266 1041943869 /nfs/dbraw/zinc/94/38/69/1041943869.db2.gz LLBBNAAWUJMZJY-UHFFFAOYSA-N 1 0 322.477 4.395 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000278846073 1041950377 /nfs/dbraw/zinc/95/03/77/1041950377.db2.gz VDRAJEPTDOCEER-SUMWQHHRSA-N 1 0 309.369 4.268 20 30 DIEDRO Cc1cc(CNc2ccccc2O[C@H](C)C#N)c2c(n1)CCCC2 ZINC000893472929 1041960639 /nfs/dbraw/zinc/96/06/39/1041960639.db2.gz QVDBQDRJMDGKNY-OAHLLOKOSA-N 1 0 321.424 4.172 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815634803 1041981544 /nfs/dbraw/zinc/98/15/44/1041981544.db2.gz QSHIVSSSCPOVSQ-JYJNAYRXSA-N 1 0 316.445 4.285 20 30 DIEDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000815635570 1041981619 /nfs/dbraw/zinc/98/16/19/1041981619.db2.gz FRCGKXSWDJRLMV-HNAYVOBHSA-N 1 0 324.424 4.487 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815637530 1041981686 /nfs/dbraw/zinc/98/16/86/1041981686.db2.gz ZXUYHWWQSAEAJC-HNNXBMFYSA-N 1 0 316.445 4.286 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815637531 1041981777 /nfs/dbraw/zinc/98/17/77/1041981777.db2.gz ZXUYHWWQSAEAJC-OAHLLOKOSA-N 1 0 316.445 4.286 20 30 DIEDRO C=CC[N@@H+](Cc1nnc(-c2cc(C)c(CC)s2)o1)C(C)(C)C ZINC000661755220 1041990430 /nfs/dbraw/zinc/99/04/30/1041990430.db2.gz JNCUPUIRCJAEAV-UHFFFAOYSA-N 1 0 319.474 4.455 20 30 DIEDRO C=CCC1([NH2+]Cc2nc3ccccc3n2C(F)F)CCCC1 ZINC000661848645 1042005838 /nfs/dbraw/zinc/00/58/38/1042005838.db2.gz LWGROHHMTFNTGZ-UHFFFAOYSA-N 1 0 305.372 4.410 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(Oc3ccccc3)nn2)CCCC1 ZINC000661851852 1042006090 /nfs/dbraw/zinc/00/60/90/1042006090.db2.gz GVQRYQGMYQTEJW-UHFFFAOYSA-N 1 0 309.413 4.247 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cncc(C)c2)cc1 ZINC000181830248 1042049788 /nfs/dbraw/zinc/04/97/88/1042049788.db2.gz IHJDXGMCRZAUOZ-HNNXBMFYSA-N 1 0 316.832 4.372 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cncc(C)c2)cc1 ZINC000181830266 1042050433 /nfs/dbraw/zinc/05/04/33/1042050433.db2.gz IHJDXGMCRZAUOZ-OAHLLOKOSA-N 1 0 316.832 4.372 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nnc(-c2cccs2)o1 ZINC000662082327 1042059590 /nfs/dbraw/zinc/05/95/90/1042059590.db2.gz TUTXIPQQUATLEZ-UPJWGTAASA-N 1 0 301.415 4.042 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000662084168 1042059616 /nfs/dbraw/zinc/05/96/16/1042059616.db2.gz NOYDOIRRIWYIRI-OAGGEKHMSA-N 1 0 309.413 4.289 20 30 DIEDRO N#Cc1cc(Nc2c(Cl)cccc2Cl)cc(C2C[NH2+]C2)c1 ZINC001159501777 1042073269 /nfs/dbraw/zinc/07/32/69/1042073269.db2.gz GISILIKGYBSYAP-UHFFFAOYSA-N 1 0 318.207 4.295 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000601967610 1042103665 /nfs/dbraw/zinc/10/36/65/1042103665.db2.gz HVADPQMSLNOGQL-HNAYVOBHSA-N 1 0 313.420 4.480 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)cc1 ZINC000817968918 1042135108 /nfs/dbraw/zinc/13/51/08/1042135108.db2.gz YUTQEXKOGGZDGY-VFNWGFHPSA-N 1 0 320.436 4.009 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000818356601 1042150910 /nfs/dbraw/zinc/15/09/10/1042150910.db2.gz OMVXQSDKYQFCFZ-HLLBOEOZSA-N 1 0 315.436 4.159 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@H]2CCc3cccc(Cl)c3C2)cc1C ZINC001170912722 1042158191 /nfs/dbraw/zinc/15/81/91/1042158191.db2.gz AGXFWHYWQFLPRB-INIZCTEOSA-N 1 0 312.844 4.220 20 30 DIEDRO CCC1CCC(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000314647585 1042162784 /nfs/dbraw/zinc/16/27/84/1042162784.db2.gz CSOWQUZWQPUHCY-KLAILNCOSA-N 1 0 300.446 4.456 20 30 DIEDRO N#CCCN(CCCc1cccc(Cl)c1)Cc1cccnc1 ZINC001207583666 1042206100 /nfs/dbraw/zinc/20/61/00/1042206100.db2.gz IUUNXVGDUJOMIH-UHFFFAOYSA-N 1 0 313.832 4.083 20 30 DIEDRO COc1ncc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000585764885 1042244918 /nfs/dbraw/zinc/24/49/18/1042244918.db2.gz WQJVOWNMMWUTRC-NWDGAFQWSA-N 1 0 315.804 4.027 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)CCCC1 ZINC000661866834 1042253426 /nfs/dbraw/zinc/25/34/26/1042253426.db2.gz WMMMNMVYDIVYSW-UHFFFAOYSA-N 1 0 320.864 4.374 20 30 DIEDRO Cc1ccc(C[NH+]2CCCCC2)cc1N[C@H]1CC[C@H](C#N)CC1 ZINC001167845601 1042266088 /nfs/dbraw/zinc/26/60/88/1042266088.db2.gz LZHYHQDEXARSEY-UAPYVXQJSA-N 1 0 311.473 4.475 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000822433241 1042285497 /nfs/dbraw/zinc/28/54/97/1042285497.db2.gz LHTNIXSXWNXHSZ-RCCFBDPRSA-N 1 0 308.510 4.116 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1ccccc1OC)c1ccc(C#N)cc1 ZINC000618568517 1042289046 /nfs/dbraw/zinc/28/90/46/1042289046.db2.gz CIMRKGIAKISSLU-SFHVURJKSA-N 1 0 324.424 4.077 20 30 DIEDRO C=C(C)C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001170990257 1042290760 /nfs/dbraw/zinc/29/07/60/1042290760.db2.gz JSKJRWBZVARYAK-SJORKVTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C(C)C ZINC001136650350 1042306758 /nfs/dbraw/zinc/30/67/58/1042306758.db2.gz XLTCRLKNRSRGKW-RCCFBDPRSA-N 1 0 322.537 4.120 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)C(C)C ZINC001136650347 1042307008 /nfs/dbraw/zinc/30/70/08/1042307008.db2.gz XLTCRLKNRSRGKW-FGTMMUONSA-N 1 0 322.537 4.120 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001171006490 1042313779 /nfs/dbraw/zinc/31/37/79/1042313779.db2.gz HTEMYBXJLZPKSO-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001167876653 1042322305 /nfs/dbraw/zinc/32/23/05/1042322305.db2.gz RPRCHALNCOLJNP-ZFWWWQNUSA-N 1 0 315.392 4.020 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 ZINC000236789715 1042371648 /nfs/dbraw/zinc/37/16/48/1042371648.db2.gz WXECLTQGTLFEIY-JXFKEZNVSA-N 1 0 308.425 4.464 20 30 DIEDRO CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236887714 1042374891 /nfs/dbraw/zinc/37/48/91/1042374891.db2.gz VZDGPQXILIHHMB-PXNSSMCTSA-N 1 0 322.452 4.478 20 30 DIEDRO Cc1cc(C[NH2+]CCCCC#N)cc(C)c1OCc1ccccn1 ZINC000237600522 1042378972 /nfs/dbraw/zinc/37/89/72/1042378972.db2.gz SBLKFHBZAWWHAF-UHFFFAOYSA-N 1 0 323.440 4.061 20 30 DIEDRO COc1c(F)cccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001143533187 1042390977 /nfs/dbraw/zinc/39/09/77/1042390977.db2.gz RDFYMJGDRLWZNJ-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000245758370 1042411918 /nfs/dbraw/zinc/41/19/18/1042411918.db2.gz ZUZWLUSJJKRZCL-QSFXBCCZSA-N 1 0 306.409 4.043 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000573732138 1042412732 /nfs/dbraw/zinc/41/27/32/1042412732.db2.gz ICTJRFBFCPUOIP-HRAATJIYSA-N 1 0 318.420 4.089 20 30 DIEDRO COc1ccccc1CC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614164673 1042419909 /nfs/dbraw/zinc/41/99/09/1042419909.db2.gz PCRSGOSXODITPA-UHFFFAOYSA-N 1 0 322.452 4.171 20 30 DIEDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCS1 ZINC000614168612 1042420642 /nfs/dbraw/zinc/42/06/42/1042420642.db2.gz MGOBUUNZNNKVHS-KRWDZBQOSA-N 1 0 302.487 4.061 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000614171128 1042420775 /nfs/dbraw/zinc/42/07/75/1042420775.db2.gz DKMFLPMIKRWRJG-QZTJIDSGSA-N 1 0 314.498 4.348 20 30 DIEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171393 1042421549 /nfs/dbraw/zinc/42/15/49/1042421549.db2.gz VUGVNBZGHISJBQ-INIZCTEOSA-N 1 0 322.452 4.256 20 30 DIEDRO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173027 1042421634 /nfs/dbraw/zinc/42/16/34/1042421634.db2.gz DNHKVJVUCNWQLU-MRXNPFEDSA-N 1 0 320.436 4.443 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCCCO1 ZINC000614174117 1042421783 /nfs/dbraw/zinc/42/17/83/1042421783.db2.gz IENSVHGAOYTAFK-IBGZPJMESA-N 1 0 314.473 4.269 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614180037 1042422312 /nfs/dbraw/zinc/42/23/12/1042422312.db2.gz UCWWHGYJZCPFIL-OAHLLOKOSA-N 1 0 308.425 4.347 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)OCO2 ZINC000614179217 1042422537 /nfs/dbraw/zinc/42/25/37/1042422537.db2.gz JSYYEIPIVUESNA-CQSZACIVSA-N 1 0 322.408 4.067 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614179877 1042423408 /nfs/dbraw/zinc/42/34/08/1042423408.db2.gz QIMVTXIDVQAGMP-HNNXBMFYSA-N 1 0 308.425 4.347 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc(C)cs1 ZINC000614183684 1042425134 /nfs/dbraw/zinc/42/51/34/1042425134.db2.gz BASDQELXXWXXKG-MRXNPFEDSA-N 1 0 313.470 4.494 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236979569 1042442532 /nfs/dbraw/zinc/44/25/32/1042442532.db2.gz YHUHODZJULYTAP-HOTGVXAUSA-N 1 0 324.424 4.227 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236979599 1042442603 /nfs/dbraw/zinc/44/26/03/1042442603.db2.gz YHUHODZJULYTAP-CVEARBPZSA-N 1 0 324.424 4.227 20 30 DIEDRO N#CC1(CC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CCCCC1 ZINC000411465857 1042449927 /nfs/dbraw/zinc/44/99/27/1042449927.db2.gz YFJFFJBLNWOEDS-RTBURBONSA-N 1 0 312.457 4.218 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C)cc2OCC)cc1 ZINC000237043786 1042474968 /nfs/dbraw/zinc/47/49/68/1042474968.db2.gz VSQDOYIWNCBYFM-UHFFFAOYSA-N 1 0 323.436 4.086 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 ZINC000182308247 1042482443 /nfs/dbraw/zinc/48/24/43/1042482443.db2.gz XHJZXQMLZUCSPE-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO N#Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)ccn1 ZINC000614414986 1042494209 /nfs/dbraw/zinc/49/42/09/1042494209.db2.gz PPCYYHDXLLZZKO-PWRODBHTSA-N 1 0 317.436 4.111 20 30 DIEDRO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000729268343 1042517119 /nfs/dbraw/zinc/51/71/19/1042517119.db2.gz ZBRULTULGBMSFQ-CQSZACIVSA-N 1 0 314.816 4.435 20 30 DIEDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(C#N)c1 ZINC000015571672 1042579658 /nfs/dbraw/zinc/57/96/58/1042579658.db2.gz PXBGLBYJLFWKSO-UHFFFAOYSA-N 1 0 319.452 4.181 20 30 DIEDRO CCC(CC)CN(CCC#N)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000513716687 1042595348 /nfs/dbraw/zinc/59/53/48/1042595348.db2.gz GLRIXROOIVCWOR-UHFFFAOYSA-N 1 0 303.406 4.055 20 30 DIEDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618806091 1042612243 /nfs/dbraw/zinc/61/22/43/1042612243.db2.gz PLLQEHXEVUYCOQ-IFXJQAMLSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000319677231 1042626480 /nfs/dbraw/zinc/62/64/80/1042626480.db2.gz ABSLKZGAXSDQLZ-LSDHHAIUSA-N 1 0 310.397 4.009 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc2ccccc2[nH]1 ZINC000421327388 1042630499 /nfs/dbraw/zinc/63/04/99/1042630499.db2.gz PYCFEBPGCZTZPR-SFHVURJKSA-N 1 0 322.387 4.061 20 30 DIEDRO COc1cc(C[NH2+][C@@H](CC(F)F)c2ccccc2)ccc1C#N ZINC000421377809 1042633979 /nfs/dbraw/zinc/63/39/79/1042633979.db2.gz UKQQJBOECUGIDM-INIZCTEOSA-N 1 0 316.351 4.053 20 30 DIEDRO COc1cc(C[NH2+][C@H](CC(F)F)c2ccccc2)ccc1C#N ZINC000421377812 1042634193 /nfs/dbraw/zinc/63/41/93/1042634193.db2.gz UKQQJBOECUGIDM-MRXNPFEDSA-N 1 0 316.351 4.053 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(C#N)cc1 ZINC000421892675 1042661505 /nfs/dbraw/zinc/66/15/05/1042661505.db2.gz WORJCZPWIGNLFR-IRXDYDNUSA-N 1 0 300.471 4.132 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc(F)ccc1F ZINC000421869413 1042661507 /nfs/dbraw/zinc/66/15/07/1042661507.db2.gz DSLYUKABAJJNLB-INIZCTEOSA-N 1 0 306.381 4.385 20 30 DIEDRO N#CCCC[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423132913 1042698544 /nfs/dbraw/zinc/69/85/44/1042698544.db2.gz PUAOEPOCUOMPOT-AABGKKOBSA-N 1 0 305.425 4.156 20 30 DIEDRO CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000423247980 1042703260 /nfs/dbraw/zinc/70/32/60/1042703260.db2.gz RAVFWYZYAKRRAX-QRWLVFNGSA-N 1 0 307.441 4.032 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000424175707 1042727730 /nfs/dbraw/zinc/72/77/30/1042727730.db2.gz QOIPDVWDLFGJKG-FZMZJTMJSA-N 1 0 319.754 4.040 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)c2)c1 ZINC000424203337 1042729076 /nfs/dbraw/zinc/72/90/76/1042729076.db2.gz KQKZZTPQFXZQJF-ACDBMABISA-N 1 0 318.420 4.025 20 30 DIEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000424201427 1042729325 /nfs/dbraw/zinc/72/93/25/1042729325.db2.gz OLULVXZYWRVOBA-UHFFFAOYSA-N 1 0 320.845 4.307 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000424294905 1042731482 /nfs/dbraw/zinc/73/14/82/1042731482.db2.gz LTEGNGAXVFYKMY-FZCLSBEQSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000424290907 1042731722 /nfs/dbraw/zinc/73/17/22/1042731722.db2.gz CKSUPUTUEUWMHB-YHAQOWFVSA-N 1 0 318.219 4.374 20 30 DIEDRO C/C=C\COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424331207 1042734736 /nfs/dbraw/zinc/73/47/36/1042734736.db2.gz RVAIWPQJIGEETL-MLJSMGRESA-N 1 0 312.457 4.244 20 30 DIEDRO N#Cc1ccc(C[N@@H+](C[C@H]2CCCC(F)(F)C2)C2CC2)cc1 ZINC000513881747 1042760215 /nfs/dbraw/zinc/76/02/15/1042760215.db2.gz VLYSSSZYFIICEZ-INIZCTEOSA-N 1 0 304.384 4.348 20 30 DIEDRO CCCCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](C)CCC ZINC000514001718 1042766951 /nfs/dbraw/zinc/76/69/51/1042766951.db2.gz NABKXCLQJJPSSS-KRWDZBQOSA-N 1 0 321.509 4.010 20 30 DIEDRO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCO1 ZINC000514212004 1042774322 /nfs/dbraw/zinc/77/43/22/1042774322.db2.gz APNMMXVEJLRDIR-FQEVSTJZSA-N 1 0 320.436 4.226 20 30 DIEDRO N#C[C@H]1CC[C@@H](Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)C1 ZINC000425272669 1042786189 /nfs/dbraw/zinc/78/61/89/1042786189.db2.gz LULFSVPHRBBOPX-CMPLNLGQSA-N 1 0 305.303 4.358 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000515455921 1042821439 /nfs/dbraw/zinc/82/14/39/1042821439.db2.gz YZZSNPDFTYRSAK-UTKZUKDTSA-N 1 0 321.468 4.119 20 30 DIEDRO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000425473501 1042829088 /nfs/dbraw/zinc/82/90/88/1042829088.db2.gz KGQQSEMMHIMTCD-MRXNPFEDSA-N 1 0 322.493 4.293 20 30 DIEDRO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000425473499 1042829439 /nfs/dbraw/zinc/82/94/39/1042829439.db2.gz KGQQSEMMHIMTCD-INIZCTEOSA-N 1 0 322.493 4.293 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCCC1CCOCC1 ZINC000425533850 1042837651 /nfs/dbraw/zinc/83/76/51/1042837651.db2.gz LMFZZTNLNIYAIC-INIZCTEOSA-N 1 0 300.446 4.148 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000425533834 1042837872 /nfs/dbraw/zinc/83/78/72/1042837872.db2.gz LJOPONDZDQCRNA-HNNXBMFYSA-N 1 0 324.399 4.353 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cncc(C(F)(F)F)c1 ZINC000425540183 1042839255 /nfs/dbraw/zinc/83/92/55/1042839255.db2.gz VCRXLIXPKXZIDH-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)c(C(F)(F)F)c1 ZINC000516918710 1042859774 /nfs/dbraw/zinc/85/97/74/1042859774.db2.gz XJQZPLTWDUOAJO-AWEZNQCLSA-N 1 0 308.347 4.199 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000516948262 1042860756 /nfs/dbraw/zinc/86/07/56/1042860756.db2.gz LVHASUOQAKQWRD-RDJZCZTQSA-N 1 0 320.502 4.262 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000516948263 1042861089 /nfs/dbraw/zinc/86/10/89/1042861089.db2.gz LVHASUOQAKQWRD-WBVHZDCISA-N 1 0 320.502 4.262 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001270238375 1042864455 /nfs/dbraw/zinc/86/44/55/1042864455.db2.gz SQAAMSIVIINNQB-IBGZPJMESA-N 1 0 308.510 4.071 20 30 DIEDRO Cc1ccccc1[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000517054225 1042864897 /nfs/dbraw/zinc/86/48/97/1042864897.db2.gz DPUPLADTSKKYHE-QGZVFWFLSA-N 1 0 308.425 4.076 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000425924260 1042874820 /nfs/dbraw/zinc/87/48/20/1042874820.db2.gz UMIQQJUIAJFLGB-ZDUSSCGKSA-N 1 0 302.418 4.212 20 30 DIEDRO CC[N@H+](CCOc1cccc(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000517626392 1042888689 /nfs/dbraw/zinc/88/86/89/1042888689.db2.gz OEWJDOUBXLXEIH-MRXNPFEDSA-N 1 0 324.424 4.029 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C#N)cs1)CCC2 ZINC000093768053 1042895267 /nfs/dbraw/zinc/89/52/67/1042895267.db2.gz VWFNTDUSYQONKB-AWEZNQCLSA-N 1 0 317.483 4.148 20 30 DIEDRO C[C@@H]([NH2+]Cc1cscc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000519129973 1042934882 /nfs/dbraw/zinc/93/48/82/1042934882.db2.gz XWNXTBQJDKPKOU-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C=C[C@@H]1CCCCN1Cc1cc(Br)c(OC)s1 ZINC000426549725 1042935571 /nfs/dbraw/zinc/93/55/71/1042935571.db2.gz TZCWLLJNAORCJV-SNVBAGLBSA-N 1 0 316.264 4.060 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000519243837 1042940483 /nfs/dbraw/zinc/94/04/83/1042940483.db2.gz KVOORYVJXNFMSS-RDJZCZTQSA-N 1 0 303.446 4.142 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccn(C(F)F)c1=O)c1ccccc1 ZINC000638785515 1042983846 /nfs/dbraw/zinc/98/38/46/1042983846.db2.gz WPXDJCNUPLAPDX-MRXNPFEDSA-N 1 0 318.367 4.041 20 30 DIEDRO COc1cc(C)cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1O ZINC000894854265 1042988561 /nfs/dbraw/zinc/98/85/61/1042988561.db2.gz FCWYQDWAZJCXKC-SFHVURJKSA-N 1 0 324.424 4.234 20 30 DIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)cc1 ZINC000120878429 1042989646 /nfs/dbraw/zinc/98/96/46/1042989646.db2.gz DXRNHFYJJOPCGP-SFHVURJKSA-N 1 0 312.438 4.356 20 30 DIEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]CCCSCC#N)C1 ZINC000440626192 1043002111 /nfs/dbraw/zinc/00/21/11/1043002111.db2.gz NLEPYWJNIKJWKK-KRWDZBQOSA-N 1 0 302.487 4.327 20 30 DIEDRO Cc1c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000519908291 1043007964 /nfs/dbraw/zinc/00/79/64/1043007964.db2.gz QWSOAFRBJZIZAQ-UHFFFAOYSA-N 1 0 323.396 4.186 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]C/C=C/c1ccccc1 ZINC000520209805 1043024283 /nfs/dbraw/zinc/02/42/83/1043024283.db2.gz DOWYXLXPATZOHF-RMKNXTFCSA-N 1 0 308.450 4.094 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCOC2CCCCC2)cc1Cl ZINC000520213216 1043024741 /nfs/dbraw/zinc/02/47/41/1043024741.db2.gz LQZLNBWLPHWULM-UHFFFAOYSA-N 1 0 323.864 4.344 20 30 DIEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000520216009 1043024985 /nfs/dbraw/zinc/02/49/85/1043024985.db2.gz NKHOZMFRQIAAGG-NRFANRHFSA-N 1 0 320.436 4.455 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000441359135 1043038144 /nfs/dbraw/zinc/03/81/44/1043038144.db2.gz QGKRCUAXNMKYQC-IBGZPJMESA-N 1 0 310.416 4.459 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000441341516 1043039319 /nfs/dbraw/zinc/03/93/19/1043039319.db2.gz ODDJYJIECZHJCK-YWZLYKJASA-N 1 0 324.399 4.159 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000441389822 1043041735 /nfs/dbraw/zinc/04/17/35/1043041735.db2.gz WOOGCCMXDVOWBO-UHFFFAOYSA-N 1 0 302.365 4.186 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1CCC(C#N)CC1 ZINC000441385378 1043043624 /nfs/dbraw/zinc/04/36/24/1043043624.db2.gz VJNSYGJZCCPRSR-UHFFFAOYSA-N 1 0 310.363 4.433 20 30 DIEDRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000173882921 1043056110 /nfs/dbraw/zinc/05/61/10/1043056110.db2.gz CKTZSBIKLJCTRP-DYESRHJHSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cccc(C#N)c1 ZINC000174429560 1043066171 /nfs/dbraw/zinc/06/61/71/1043066171.db2.gz CCYKOBNWRRTRCM-KRWDZBQOSA-N 1 0 319.452 4.399 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cc(F)ccc1F ZINC000174422855 1043066314 /nfs/dbraw/zinc/06/63/14/1043066314.db2.gz JVTJKVFKXNJYOR-KRWDZBQOSA-N 1 0 316.351 4.086 20 30 DIEDRO CCC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)[C@H](O)c1ccccc1 ZINC000794831829 1043066956 /nfs/dbraw/zinc/06/69/56/1043066956.db2.gz RCEUBTZGBLMCEH-UIAACRFSSA-N 1 0 308.425 4.111 20 30 DIEDRO CCC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)[C@@H](O)c1ccccc1 ZINC000794831831 1043067366 /nfs/dbraw/zinc/06/73/66/1043067366.db2.gz RCEUBTZGBLMCEH-XPGWFJOJSA-N 1 0 308.425 4.111 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000794834400 1043079936 /nfs/dbraw/zinc/07/99/36/1043079936.db2.gz NINOJLMGZFBMAV-RHSMWYFYSA-N 1 0 323.864 4.020 20 30 DIEDRO C[C@H](NC(=O)c1coc(C2CCCCC2)n1)C(C)(C)C[NH+](C)C ZINC000330421844 1043088498 /nfs/dbraw/zinc/08/84/98/1043088498.db2.gz AVTYCNOTQWKTDQ-ZDUSSCGKSA-N 1 0 321.465 4.003 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000178177277 1043123723 /nfs/dbraw/zinc/12/37/23/1043123723.db2.gz MRASMZHKPSNVKF-KBPBESRZSA-N 1 0 309.369 4.187 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000441457462 1043127283 /nfs/dbraw/zinc/12/72/83/1043127283.db2.gz KHDKMFXTWQCSMN-UHFFFAOYSA-N 1 0 308.491 4.290 20 30 DIEDRO CCC(C)(C)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000441476735 1043164017 /nfs/dbraw/zinc/16/40/17/1043164017.db2.gz SPXQKAIWRXESIU-UHFFFAOYSA-N 1 0 300.446 4.228 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866351557 1043185838 /nfs/dbraw/zinc/18/58/38/1043185838.db2.gz BPIAERGDCKPUQG-PNESKVBLSA-N 1 0 317.820 4.462 20 30 DIEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000866445017 1043203855 /nfs/dbraw/zinc/20/38/55/1043203855.db2.gz GPINJQVJRXFJRV-OAHLLOKOSA-N 1 0 323.415 4.017 20 30 DIEDRO CC(C)C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000441520863 1043204442 /nfs/dbraw/zinc/20/44/42/1043204442.db2.gz FBFZJLHJDQVLMF-UHFFFAOYSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N(C)C ZINC000441523464 1043207322 /nfs/dbraw/zinc/20/73/22/1043207322.db2.gz KHLCKOWGJOTQKR-UHFFFAOYSA-N 1 0 321.468 4.282 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1noc2ccc(F)cc21 ZINC000866512378 1043216043 /nfs/dbraw/zinc/21/60/43/1043216043.db2.gz ZIKFBHFSZLQHIJ-KRWDZBQOSA-N 1 0 321.355 4.006 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000866540138 1043218929 /nfs/dbraw/zinc/21/89/29/1043218929.db2.gz JNOUOSWRIOSUHQ-OAHLLOKOSA-N 1 0 300.358 4.293 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000866609686 1043233220 /nfs/dbraw/zinc/23/32/20/1043233220.db2.gz MVXHPRXSQPXYFV-DAXOMENPSA-N 1 0 324.346 4.137 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cc2cnccc2o1 ZINC000866619472 1043238022 /nfs/dbraw/zinc/23/80/22/1043238022.db2.gz GKHWOKZQXFBVEU-YVEFUNNKSA-N 1 0 303.365 4.038 20 30 DIEDRO C#CC(CC)(CC)[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168004898 1043239464 /nfs/dbraw/zinc/23/94/64/1043239464.db2.gz BLJRNRDCCPZMTI-QZTJIDSGSA-N 1 0 312.501 4.210 20 30 DIEDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000487396760 1043245873 /nfs/dbraw/zinc/24/58/73/1043245873.db2.gz MYKQIFUANPSMDC-OAHLLOKOSA-N 1 0 304.503 4.451 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)C1CC1 ZINC000121652644 1043253690 /nfs/dbraw/zinc/25/36/90/1043253690.db2.gz UYVYBNAMHDAKTL-CVEARBPZSA-N 1 0 301.455 4.269 20 30 DIEDRO C=CCCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000665193151 1043278163 /nfs/dbraw/zinc/27/81/63/1043278163.db2.gz OZBOHSDBVMJYIH-UHFFFAOYSA-N 1 0 315.461 4.149 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(N(C)C)cc1 ZINC000268826048 1043335702 /nfs/dbraw/zinc/33/57/02/1043335702.db2.gz UHHYYZDKMCNCBN-MGPUTAFESA-N 1 0 307.441 4.426 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268872487 1043337373 /nfs/dbraw/zinc/33/73/73/1043337373.db2.gz GLOQQZRMQUGCBQ-HNNXBMFYSA-N 1 0 309.409 4.132 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000795106260 1043340065 /nfs/dbraw/zinc/34/00/65/1043340065.db2.gz JKCDRDVUEZNIGJ-QUCCMNQESA-N 1 0 322.537 4.317 20 30 DIEDRO C=CCCC[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000269298764 1043360787 /nfs/dbraw/zinc/36/07/87/1043360787.db2.gz YHGBYUSQYNSHSA-UHFFFAOYSA-N 1 0 320.502 4.031 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000269624652 1043371476 /nfs/dbraw/zinc/37/14/76/1043371476.db2.gz RERLNZOBEFWZHA-UHFFFAOYSA-N 1 0 316.326 4.356 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC000521220852 1043376548 /nfs/dbraw/zinc/37/65/48/1043376548.db2.gz PYMGSWVGSRRCJH-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OCCC)cc1O)c1ccccc1 ZINC000270203740 1043380028 /nfs/dbraw/zinc/38/00/28/1043380028.db2.gz MRQMGGZIKBSTEP-IBGZPJMESA-N 1 0 309.409 4.035 20 30 DIEDRO Fc1ccc(C[NH2+]C2CC(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000521306693 1043385535 /nfs/dbraw/zinc/38/55/35/1043385535.db2.gz QZIFZLQMDFETOT-UHFFFAOYSA-N 1 0 315.232 4.275 20 30 DIEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)o1 ZINC000521334847 1043389355 /nfs/dbraw/zinc/38/93/55/1043389355.db2.gz CWRIKMXDRNPPOC-KXBFYZLASA-N 1 0 324.424 4.375 20 30 DIEDRO C#CCCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000271022643 1043398895 /nfs/dbraw/zinc/39/88/95/1043398895.db2.gz OKEXSOXDUFCODA-UHFFFAOYSA-N 1 0 317.820 4.014 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442712946 1043408151 /nfs/dbraw/zinc/40/81/51/1043408151.db2.gz HWKPUJHPRSSCEL-NXHRZFHOSA-N 1 0 300.446 4.077 20 30 DIEDRO CCC(CC)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)N[C@@H](C)c1ccccc1 ZINC000442774347 1043417270 /nfs/dbraw/zinc/41/72/70/1043417270.db2.gz AHCHZIRRDYCZLI-YQVWRLOYSA-N 1 0 313.489 4.178 20 30 DIEDRO Cc1cccc(Oc2cc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)ccn2)c1C ZINC000442779333 1043417376 /nfs/dbraw/zinc/41/73/76/1043417376.db2.gz MAFVGHPESQZGMX-SJLPKXTDSA-N 1 0 321.424 4.273 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1cccc(C#N)c1 ZINC000871935751 1043417594 /nfs/dbraw/zinc/41/75/94/1043417594.db2.gz BFPTUNWEYBLNGH-NEPJUHHUSA-N 1 0 319.330 4.384 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000271453136 1043421541 /nfs/dbraw/zinc/42/15/41/1043421541.db2.gz GKEHJCOMHOHMLB-QFBILLFUSA-N 1 0 323.436 4.427 20 30 DIEDRO CCC[C@H](NCc1cc(C#N)ccc1F)c1ncccc1Cl ZINC000925477498 1043422073 /nfs/dbraw/zinc/42/20/73/1043422073.db2.gz REORGZCPDVTYCC-INIZCTEOSA-N 1 0 317.795 4.377 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000442786449 1043422292 /nfs/dbraw/zinc/42/22/92/1043422292.db2.gz XJSRQKRQTQLZJM-JKSUJKDBSA-N 1 0 300.471 4.373 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000271508264 1043429808 /nfs/dbraw/zinc/42/98/08/1043429808.db2.gz MYKCFFUOVOYCHX-OFQRWUPVSA-N 1 0 309.837 4.036 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000442867812 1043438806 /nfs/dbraw/zinc/43/88/06/1043438806.db2.gz ZKHVINKYHFLNKD-WFASDCNBSA-N 1 0 319.246 4.110 20 30 DIEDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N)n(-c2ccccc2)n1 ZINC000925585047 1043433573 /nfs/dbraw/zinc/43/35/73/1043433573.db2.gz RSVJWFWPMJBCBF-NVXWUHKLSA-N 1 0 324.472 4.030 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)CCO1 ZINC000872051302 1043435223 /nfs/dbraw/zinc/43/52/23/1043435223.db2.gz HUIKEUOPDZYGEP-KSZLIROESA-N 1 0 300.446 4.215 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)C1 ZINC000442862594 1043437201 /nfs/dbraw/zinc/43/72/01/1043437201.db2.gz VQWYLCHWHXLDFY-GXFFZTMASA-N 1 0 322.239 4.299 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000925619710 1043437906 /nfs/dbraw/zinc/43/79/06/1043437906.db2.gz QVWQURFTVXRFJF-SOLBZPMBSA-N 1 0 300.446 4.072 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000925619707 1043438033 /nfs/dbraw/zinc/43/80/33/1043438033.db2.gz QVWQURFTVXRFJF-JFIYKMOQSA-N 1 0 300.446 4.072 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000925634926 1043439965 /nfs/dbraw/zinc/43/99/65/1043439965.db2.gz MZEINKTWALMQRB-OXJNMPFZSA-N 1 0 307.437 4.329 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000442873618 1043440583 /nfs/dbraw/zinc/44/05/83/1043440583.db2.gz RQZDTZSPKUFFKL-ALLBUHFWSA-N 1 0 324.468 4.309 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000442856357 1043445473 /nfs/dbraw/zinc/44/54/73/1043445473.db2.gz DFKISZLPDMYLJA-WFASDCNBSA-N 1 0 308.347 4.019 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000442859038 1043446191 /nfs/dbraw/zinc/44/61/91/1043446191.db2.gz PVXJFCUMMJOMKR-DZGCQCFKSA-N 1 0 306.837 4.301 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cn2)c2ccccc2S1 ZINC000872064883 1043446440 /nfs/dbraw/zinc/44/64/40/1043446440.db2.gz OLXRSKKFXNOHAB-MRXNPFEDSA-N 1 0 309.438 4.059 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)ccc1C#N ZINC000442883372 1043448565 /nfs/dbraw/zinc/44/85/65/1043448565.db2.gz VAUPOSUBAMYBGQ-WMLDXEAASA-N 1 0 310.397 4.133 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)ccc1C#N ZINC000442883371 1043448748 /nfs/dbraw/zinc/44/87/48/1043448748.db2.gz VAUPOSUBAMYBGQ-RHSMWYFYSA-N 1 0 310.397 4.133 20 30 DIEDRO C=C[C@](C)(CC)C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000442930848 1043456107 /nfs/dbraw/zinc/45/61/07/1043456107.db2.gz BHIMEORAOFIDOB-HXUWFJFHSA-N 1 0 322.537 4.195 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC(C)(C)CCC#N ZINC000558238993 1043466405 /nfs/dbraw/zinc/46/64/05/1043466405.db2.gz XCGRSSNKESUATF-KRWDZBQOSA-N 1 0 300.446 4.337 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000558244597 1043471722 /nfs/dbraw/zinc/47/17/22/1043471722.db2.gz ACSTVTCAAZISPN-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO N#CCCCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000348847743 1043476008 /nfs/dbraw/zinc/47/60/08/1043476008.db2.gz GHCHCNXZUZPZMV-UHFFFAOYSA-N 1 0 304.340 4.225 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000872139529 1043477266 /nfs/dbraw/zinc/47/72/66/1043477266.db2.gz LDPXAWJYCXDOLL-AVGNSLFASA-N 1 0 302.805 4.324 20 30 DIEDRO C=CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000521855351 1043492400 /nfs/dbraw/zinc/49/24/00/1043492400.db2.gz LZCGGSJLXLNMPJ-UHFFFAOYSA-N 1 0 321.424 4.183 20 30 DIEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000349195608 1043495664 /nfs/dbraw/zinc/49/56/64/1043495664.db2.gz SWVRABTYXMALPX-INIZCTEOSA-N 1 0 314.458 4.077 20 30 DIEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000349182726 1043496610 /nfs/dbraw/zinc/49/66/10/1043496610.db2.gz FZEVXSFTFDOHCH-INIZCTEOSA-N 1 0 314.458 4.077 20 30 DIEDRO CSc1nnc(SC)n1[NH+]=C/C=C(\C)CCC=C(C)C ZINC000872416889 1043497888 /nfs/dbraw/zinc/49/78/88/1043497888.db2.gz AMMBPIPETOPTFG-XONBKLNWSA-N 1 0 310.492 4.249 20 30 DIEDRO C=C(CC)C[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000521915165 1043506147 /nfs/dbraw/zinc/50/61/47/1043506147.db2.gz MQOPWCYXWFHECU-ROUUACIJSA-N 1 0 308.416 4.044 20 30 DIEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000349707774 1043519562 /nfs/dbraw/zinc/51/95/62/1043519562.db2.gz QAQSPYWOWVWQGQ-SJLPKXTDSA-N 1 0 300.446 4.380 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC3(CCCCC3)O1)CC2 ZINC000558508114 1043525299 /nfs/dbraw/zinc/52/52/99/1043525299.db2.gz AYXOKEYIDUIOLD-MJGOQNOKSA-N 1 0 310.441 4.017 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H](O)c1ccccc1 ZINC000873197292 1043526993 /nfs/dbraw/zinc/52/69/93/1043526993.db2.gz XZKGMLPFMAZZHM-VQTJNVASSA-N 1 0 322.452 4.090 20 30 DIEDRO C=C(C)COc1cc(C[N@H+](C)Cc2ccc(C)o2)ccc1OC ZINC000350075310 1043535903 /nfs/dbraw/zinc/53/59/03/1043535903.db2.gz IPILSFHADNRTEM-UHFFFAOYSA-N 1 0 315.413 4.184 20 30 DIEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000522131523 1043545979 /nfs/dbraw/zinc/54/59/79/1043545979.db2.gz IPVKQWDZOUTNPT-FQEVSTJZSA-N 1 0 316.489 4.049 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000124699865 1043561312 /nfs/dbraw/zinc/56/13/12/1043561312.db2.gz FVPMYPGLWIYNGH-KKSFZXQISA-N 1 0 320.436 4.088 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926312964 1043562420 /nfs/dbraw/zinc/56/24/20/1043562420.db2.gz CJNKYDZNEMWYJN-ZWKOTPCHSA-N 1 0 323.827 4.261 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2nccc3Cl)cc1Cl ZINC000926370356 1043571927 /nfs/dbraw/zinc/57/19/27/1043571927.db2.gz PRAXEPLSNDXYPS-HNNXBMFYSA-N 1 0 318.207 4.037 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(C)C ZINC001275114997 1043576488 /nfs/dbraw/zinc/57/64/88/1043576488.db2.gz QSXAUPSVQBEBPI-QZTJIDSGSA-N 1 0 308.510 4.068 20 30 DIEDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)cc1C#N ZINC000124960266 1043576917 /nfs/dbraw/zinc/57/69/17/1043576917.db2.gz FWNGIZUAZCFPAV-LJQANCHMSA-N 1 0 308.425 4.444 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@@]2(CCN(C)C2=O)CC1 ZINC001275119450 1043577660 /nfs/dbraw/zinc/57/76/60/1043577660.db2.gz SLOPBWCDLICALT-LJQANCHMSA-N 1 0 308.510 4.071 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000124964862 1043578937 /nfs/dbraw/zinc/57/89/37/1043578937.db2.gz CUCRLNYSVLDOHP-YLJYHZDGSA-N 1 0 320.436 4.185 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1(Br)CC1 ZINC000926479244 1043582880 /nfs/dbraw/zinc/58/28/80/1043582880.db2.gz ITFGSFUZRGNCDR-HIFRSBDPSA-N 1 0 321.262 4.327 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000926482052 1043584206 /nfs/dbraw/zinc/58/42/06/1043584206.db2.gz XHVXJRSMKZYFOR-SLFFLAALSA-N 1 0 311.473 4.028 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000926481995 1043585410 /nfs/dbraw/zinc/58/54/10/1043585410.db2.gz WMWQUUULFBWBEJ-WMZOPIPTSA-N 1 0 322.456 4.305 20 30 DIEDRO CCC[C@@H](NCc1ccc(C#N)c(F)c1)c1ncccc1Cl ZINC000926551030 1043599174 /nfs/dbraw/zinc/59/91/74/1043599174.db2.gz QHJFZGHDLJVTJL-MRXNPFEDSA-N 1 0 317.795 4.377 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000926592451 1043603952 /nfs/dbraw/zinc/60/39/52/1043603952.db2.gz VEHJPPLSLHJHDR-FUHWJXTLSA-N 1 0 309.457 4.057 20 30 DIEDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353393984 1043605071 /nfs/dbraw/zinc/60/50/71/1043605071.db2.gz LALBTGZGABGGKF-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO COCC[N@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000487433578 1043607149 /nfs/dbraw/zinc/60/71/49/1043607149.db2.gz TUNOAOOERIVJBC-UHFFFAOYSA-N 1 0 322.452 4.136 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000320192793 1043608118 /nfs/dbraw/zinc/60/81/18/1043608118.db2.gz APIDAOTVMHJOIH-HNNXBMFYSA-N 1 0 300.450 4.133 20 30 DIEDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C)cc1OCCCC#N ZINC000353473616 1043609253 /nfs/dbraw/zinc/60/92/53/1043609253.db2.gz SSNDQWMEKANGKA-INIZCTEOSA-N 1 0 316.445 4.142 20 30 DIEDRO Cc1ccc(CCC[N@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000353450865 1043609523 /nfs/dbraw/zinc/60/95/23/1043609523.db2.gz UVZOOQFNQQKZEL-UHFFFAOYSA-N 1 0 307.441 4.105 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccco1 ZINC000353515787 1043613685 /nfs/dbraw/zinc/61/36/85/1043613685.db2.gz FKWYSYJEIBPHQK-XJKSGUPXSA-N 1 0 313.401 4.128 20 30 DIEDRO COc1ccc([C@H](CCC(C)C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430755332 1043618074 /nfs/dbraw/zinc/61/80/74/1043618074.db2.gz PQHVBNBMIPVEHU-SFHVURJKSA-N 1 0 300.446 4.456 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCCCc3ccccc32)ccc1C#N ZINC000353604712 1043623400 /nfs/dbraw/zinc/62/34/00/1043623400.db2.gz ABGXQOPJFCPNBJ-IBGZPJMESA-N 1 0 306.409 4.124 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000125408619 1043624274 /nfs/dbraw/zinc/62/42/74/1043624274.db2.gz URUREHZPPWPEPH-QGZVFWFLSA-N 1 0 320.436 4.357 20 30 DIEDRO C=CCC[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccco1 ZINC000353623729 1043625183 /nfs/dbraw/zinc/62/51/83/1043625183.db2.gz RUJPLHKXNSFIMD-CVEARBPZSA-N 1 0 313.397 4.107 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCc1nccs1 ZINC000353652621 1043630377 /nfs/dbraw/zinc/63/03/77/1043630377.db2.gz BHLVHMRTACBNFN-QGZVFWFLSA-N 1 0 311.454 4.005 20 30 DIEDRO C=CCN1CC[C@@]2(CC[N@@H+](CCCCCC/C=C\CC)C2)C1=O ZINC001275277807 1043647759 /nfs/dbraw/zinc/64/77/59/1043647759.db2.gz UCHBDPZEIFCJBS-KKHYBRAUSA-N 1 0 318.505 4.014 20 30 DIEDRO CC[N@H+](CCCc1ccc(C)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000474146301 1043657248 /nfs/dbraw/zinc/65/72/48/1043657248.db2.gz HVRPYLOFHIWKAK-QGZVFWFLSA-N 1 0 307.441 4.277 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1C#N ZINC000926967665 1043663605 /nfs/dbraw/zinc/66/36/05/1043663605.db2.gz WRLBEFINLJPPDG-GOSISDBHSA-N 1 0 310.372 4.009 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1C#N ZINC000926966224 1043664751 /nfs/dbraw/zinc/66/47/51/1043664751.db2.gz IMHORXPIBJLSPA-MLGOLLRUSA-N 1 0 310.372 4.050 20 30 DIEDRO Cc1nc2c(cccc2CC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000926974946 1043665821 /nfs/dbraw/zinc/66/58/21/1043665821.db2.gz OZDVACDBODLLBJ-LBPRGKRZSA-N 1 0 323.371 4.040 20 30 DIEDRO Cc1nc2c(cccc2CC[NH2+][C@H](C)c2ccc(C#N)cc2F)o1 ZINC000926973433 1043666090 /nfs/dbraw/zinc/66/60/90/1043666090.db2.gz CYZMZRWXTJJBCA-GFCCVEGCSA-N 1 0 323.371 4.040 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000142885456 1043666703 /nfs/dbraw/zinc/66/67/03/1043666703.db2.gz BZKIOYMFFVHLFZ-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO CC[C@]1(C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000354099993 1043681405 /nfs/dbraw/zinc/68/14/05/1043681405.db2.gz IWFNAMGARMOVGC-HXUWFJFHSA-N 1 0 322.456 4.086 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000927068959 1043681580 /nfs/dbraw/zinc/68/15/80/1043681580.db2.gz KDIMGWINAFUZNC-SESVDKBCSA-N 1 0 324.468 4.121 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccc(C#N)cc1F ZINC000927115807 1043690797 /nfs/dbraw/zinc/69/07/97/1043690797.db2.gz LZSCKDZWEULAGZ-JLTOFOAXSA-N 1 0 324.399 4.052 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC)CC2CCCCC2)CC1 ZINC000114331226 1043691530 /nfs/dbraw/zinc/69/15/30/1043691530.db2.gz FBWIOEDPUQYEFN-GOSISDBHSA-N 1 0 320.521 4.140 20 30 DIEDRO C=CCCCCCC[N@H+]1CC[C@]2(CCN(CC=C(C)C)C2=O)C1 ZINC001275329314 1043700297 /nfs/dbraw/zinc/70/02/97/1043700297.db2.gz RWTXRHBMYAIWGD-FQEVSTJZSA-N 1 0 318.505 4.014 20 30 DIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1SC1CCCC1 ZINC000876599393 1043701248 /nfs/dbraw/zinc/70/12/48/1043701248.db2.gz ZQXXULCLLYHFBB-ZDUSSCGKSA-N 1 0 324.877 4.130 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1 ZINC000559130453 1043701515 /nfs/dbraw/zinc/70/15/15/1043701515.db2.gz RUWHMSKHALNUNF-RBSFLKMASA-N 1 0 311.454 4.168 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCC[C@@]2(CCN(CC=C)C2=O)CC1 ZINC001275328716 1043701909 /nfs/dbraw/zinc/70/19/09/1043701909.db2.gz BFPNJLRYEACBTJ-FQEVSTJZSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@]2(CCN(CC(C)C)C2=O)C1 ZINC001275336570 1043707622 /nfs/dbraw/zinc/70/76/22/1043707622.db2.gz FWIWZKFDUOSRIL-FQEVSTJZSA-N 1 0 320.521 4.093 20 30 DIEDRO C=CCCCCCCCC[N@@H+]1CC[C@@]2(CCN(CC=C)C2=O)C1 ZINC001275337165 1043708340 /nfs/dbraw/zinc/70/83/40/1043708340.db2.gz OZMJYRQJICXPAM-HXUWFJFHSA-N 1 0 318.505 4.014 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)n1 ZINC000876931150 1043726128 /nfs/dbraw/zinc/72/61/28/1043726128.db2.gz JTZQQCDWURNEEO-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000877117045 1043744713 /nfs/dbraw/zinc/74/47/13/1043744713.db2.gz ZUKCSIVAUBLZGK-YHEJKZAPSA-N 1 0 322.389 4.344 20 30 DIEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000877117044 1043745218 /nfs/dbraw/zinc/74/52/18/1043745218.db2.gz ZUKCSIVAUBLZGK-JLDZCNIISA-N 1 0 322.389 4.344 20 30 DIEDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877130751 1043747495 /nfs/dbraw/zinc/74/74/95/1043747495.db2.gz TUYPSYAGJMPKNH-PXAZEXFGSA-N 1 0 311.816 4.020 20 30 DIEDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877130754 1043747664 /nfs/dbraw/zinc/74/76/64/1043747664.db2.gz TUYPSYAGJMPKNH-YVEFUNNKSA-N 1 0 311.816 4.020 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877335574 1043756904 /nfs/dbraw/zinc/75/69/04/1043756904.db2.gz HKNNMZQATOYYRH-RTBURBONSA-N 1 0 303.421 4.219 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2F)cc1 ZINC001137119368 1043757295 /nfs/dbraw/zinc/75/72/95/1043757295.db2.gz JQHWJADEYDWUIC-IBGZPJMESA-N 1 0 310.372 4.065 20 30 DIEDRO COCCCC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000355284259 1043758309 /nfs/dbraw/zinc/75/83/09/1043758309.db2.gz FEHVALPUAFDFQW-QRQLOZEOSA-N 1 0 300.446 4.216 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877335573 1043758600 /nfs/dbraw/zinc/75/86/00/1043758600.db2.gz HKNNMZQATOYYRH-RBUKOAKNSA-N 1 0 303.421 4.219 20 30 DIEDRO C[C@H](c1ccccc1F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000355354674 1043764801 /nfs/dbraw/zinc/76/48/01/1043764801.db2.gz MBJJYVIHEKXKNW-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(CF)cc3)CC2)cc1 ZINC000777716839 1043779897 /nfs/dbraw/zinc/77/98/97/1043779897.db2.gz NXSKOSUVRDKYES-UHFFFAOYSA-N 1 0 306.384 4.317 20 30 DIEDRO C#CCCCCCC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000877634291 1043784000 /nfs/dbraw/zinc/78/40/00/1043784000.db2.gz LZICPFWDXOVTDH-SFHVURJKSA-N 1 0 301.430 4.017 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@H+](C[C@@H](C)CCC#N)CC1 ZINC000877769694 1043796656 /nfs/dbraw/zinc/79/66/56/1043796656.db2.gz LQNPRFBQRQEESZ-DLBZAZTESA-N 1 0 300.446 4.205 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000267682049 1043796857 /nfs/dbraw/zinc/79/68/57/1043796857.db2.gz PMFDZKWSRDPLTJ-VLIAUNLRSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877813393 1043800986 /nfs/dbraw/zinc/80/09/86/1043800986.db2.gz YNYAGKKWLAKWNN-OAHLLOKOSA-N 1 0 308.347 4.016 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929379698 1043813689 /nfs/dbraw/zinc/81/36/89/1043813689.db2.gz PHJVBXSLSBYJKG-BJWYYQGGSA-N 1 0 304.384 4.060 20 30 DIEDRO COCC[N@H+](CC1CCC(C#N)CC1)[C@H](C)c1ccccc1 ZINC000929391221 1043814796 /nfs/dbraw/zinc/81/47/96/1043814796.db2.gz DLXDMVVBMQMNTN-WWDZGPRUSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1OC ZINC000356287528 1043830925 /nfs/dbraw/zinc/83/09/25/1043830925.db2.gz UNJILFLNWVKGBG-IBGZPJMESA-N 1 0 313.441 4.025 20 30 DIEDRO COc1ccccc1[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929691558 1043831621 /nfs/dbraw/zinc/83/16/21/1043831621.db2.gz ZJLNVHIFDQJRJP-QGZVFWFLSA-N 1 0 312.457 4.349 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000323476419 1043841924 /nfs/dbraw/zinc/84/19/24/1043841924.db2.gz YYJJVKQAYUHFJB-OAHLLOKOSA-N 1 0 303.409 4.209 20 30 DIEDRO CCC(CC)[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878037408 1043842462 /nfs/dbraw/zinc/84/24/62/1043842462.db2.gz UNASPFADDKASPL-HXUWFJFHSA-N 1 0 312.457 4.080 20 30 DIEDRO CC[C@H]1CCCCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878123533 1043848453 /nfs/dbraw/zinc/84/84/53/1043848453.db2.gz BBWJJMSGEBIWKF-VQTJNVASSA-N 1 0 312.457 4.082 20 30 DIEDRO C=CC[C@H](C)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000878203219 1043858301 /nfs/dbraw/zinc/85/83/01/1043858301.db2.gz IWBURYKTEIPOGR-HNNXBMFYSA-N 1 0 320.502 4.029 20 30 DIEDRO N#Cc1cc(Cl)cc(CNC2(c3nccs3)CCCC2)c1 ZINC000930008462 1043865561 /nfs/dbraw/zinc/86/55/61/1043865561.db2.gz JQXUNKDPCPTNAW-UHFFFAOYSA-N 1 0 317.845 4.227 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000356782047 1043875931 /nfs/dbraw/zinc/87/59/31/1043875931.db2.gz KHSVMHHVININDX-FUHWJXTLSA-N 1 0 323.465 4.368 20 30 DIEDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCCCC2(C#N)CCC2)c1 ZINC000930185886 1043886153 /nfs/dbraw/zinc/88/61/53/1043886153.db2.gz PGTOPFZEZDOTKD-OAHLLOKOSA-N 1 0 316.445 4.219 20 30 DIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCCC2(C#N)CCC2)c1 ZINC000930190107 1043890029 /nfs/dbraw/zinc/89/00/29/1043890029.db2.gz GDWJFWJEAUDVHG-OAHLLOKOSA-N 1 0 313.445 4.160 20 30 DIEDRO C#CCCCCC[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000878474708 1043895408 /nfs/dbraw/zinc/89/54/08/1043895408.db2.gz DPPZKXUIWQYSFK-ZDUSSCGKSA-N 1 0 305.372 4.276 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930226222 1043898889 /nfs/dbraw/zinc/89/88/89/1043898889.db2.gz KGMRFAHHAAVWDJ-SFHVURJKSA-N 1 0 313.832 4.484 20 30 DIEDRO Cc1csc([C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C2CC2)n1 ZINC000930239120 1043903455 /nfs/dbraw/zinc/90/34/55/1043903455.db2.gz SPPNHIURZMLGCT-QGZVFWFLSA-N 1 0 311.454 4.181 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474729533 1043904102 /nfs/dbraw/zinc/90/41/02/1043904102.db2.gz WYJSJAXRKOBEJD-SDDRHHMPSA-N 1 0 301.908 4.402 20 30 DIEDRO CC1(C)CCC[C@@H](C[NH2+][C@H](CCCC#N)c2ccccc2)O1 ZINC000878649183 1043911719 /nfs/dbraw/zinc/91/17/19/1043911719.db2.gz WZQVPEWLZOBEMH-ZWKOTPCHSA-N 1 0 300.446 4.359 20 30 DIEDRO C[C@]12CC[N@H+](CCCCC3(C#N)CCC3)C[C@H]1C2(Cl)Cl ZINC000930367313 1043916289 /nfs/dbraw/zinc/91/62/89/1043916289.db2.gz LSUGXBXGICDDNX-KGLIPLIRSA-N 1 0 315.288 4.366 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474793359 1043919527 /nfs/dbraw/zinc/91/95/27/1043919527.db2.gz DKANXXGLLXEMLU-QMMMGPOBSA-N 1 0 308.141 4.132 20 30 DIEDRO CC(C)(CO)[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1cccs1 ZINC000930498188 1043934787 /nfs/dbraw/zinc/93/47/87/1043934787.db2.gz WPNXHGONABYYFD-INIZCTEOSA-N 1 0 320.502 4.261 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000879009446 1043935864 /nfs/dbraw/zinc/93/58/64/1043935864.db2.gz YJAUPFRCBWNRDL-SESVDKBCSA-N 1 0 324.468 4.082 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000930612577 1043948429 /nfs/dbraw/zinc/94/84/29/1043948429.db2.gz QVQDXKGFUPMFNQ-WUCCLRPBSA-N 1 0 302.384 4.417 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000127602087 1043953305 /nfs/dbraw/zinc/95/33/05/1043953305.db2.gz PRJGYXBWKQSAKL-MHJFOBGBSA-N 1 0 320.436 4.403 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000930721562 1043957801 /nfs/dbraw/zinc/95/78/01/1043957801.db2.gz MBWMJAOZFJRSFO-AFMYVXGZSA-N 1 0 324.468 4.170 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1cccc(OC)c1OC ZINC000879466845 1043967295 /nfs/dbraw/zinc/96/72/95/1043967295.db2.gz WOLIMLNVJXDMHC-GOSISDBHSA-N 1 0 324.424 4.125 20 30 DIEDRO C=CCC[N@@H+](Cc1[nH]nc2c1cccc2C)Cc1ccccc1 ZINC001137148162 1044001354 /nfs/dbraw/zinc/00/13/54/1044001354.db2.gz UKHIXLKXUJKOCL-UHFFFAOYSA-N 1 0 305.425 4.450 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000358048825 1044012471 /nfs/dbraw/zinc/01/24/71/1044012471.db2.gz QRZNGIVRINKSNI-FZMZJTMJSA-N 1 0 310.235 4.217 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931367879 1044017565 /nfs/dbraw/zinc/01/75/65/1044017565.db2.gz IPOBEZZBQARGNF-OAHLLOKOSA-N 1 0 310.445 4.072 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000896838547 1044030395 /nfs/dbraw/zinc/03/03/95/1044030395.db2.gz MFWMDKJLMVJMSK-UHFFFAOYSA-N 1 0 304.381 4.084 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2ccc(Cl)cc2C#N)CC1(C)C ZINC001227205543 1044032283 /nfs/dbraw/zinc/03/22/83/1044032283.db2.gz MMVLWVWEUDOWEJ-UHFFFAOYSA-N 1 0 306.837 4.242 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1nccn1CC(F)F)c1ccccc1 ZINC000880389191 1044036677 /nfs/dbraw/zinc/03/66/77/1044036677.db2.gz DTVKUEQXZHMKAY-MRXNPFEDSA-N 1 0 319.399 4.335 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cccc(C(=O)OC)n1)c1ccccc1 ZINC000880390200 1044037339 /nfs/dbraw/zinc/03/73/39/1044037339.db2.gz OEHGNTAEFJUFNB-SFHVURJKSA-N 1 0 324.424 4.055 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1nccn1C(F)F)c1ccccc1 ZINC000880388264 1044037371 /nfs/dbraw/zinc/03/73/71/1044037371.db2.gz KOWWLDHECFSEGK-HNNXBMFYSA-N 1 0 305.372 4.465 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccccc1 ZINC000880388131 1044038771 /nfs/dbraw/zinc/03/87/71/1044038771.db2.gz IHPRBFPFFOFRRX-HXUWFJFHSA-N 1 0 322.452 4.233 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000931538807 1044040308 /nfs/dbraw/zinc/04/03/08/1044040308.db2.gz VJJJWGFXNDWMPX-SFHVURJKSA-N 1 0 318.848 4.135 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@@H](OC3CCC3)CC2)CCC1 ZINC000931537125 1044042304 /nfs/dbraw/zinc/04/23/04/1044042304.db2.gz MDIVFNGADXNOPW-GOSISDBHSA-N 1 0 304.478 4.274 20 30 DIEDRO C=C(C)COCC[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000358262066 1044042994 /nfs/dbraw/zinc/04/29/94/1044042994.db2.gz CXTAXCYNZMWBFT-INIZCTEOSA-N 1 0 309.837 4.044 20 30 DIEDRO N#CC1(CC[NH2+][C@H](Cn2ccnc2)c2ccccc2)CCCCC1 ZINC000880570775 1044047915 /nfs/dbraw/zinc/04/79/15/1044047915.db2.gz YSGWIAIZIHSQIV-LJQANCHMSA-N 1 0 322.456 4.078 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554115 1044049665 /nfs/dbraw/zinc/04/96/65/1044049665.db2.gz SHSOKGZHUFIVHW-SFHVURJKSA-N 1 0 311.473 4.191 20 30 DIEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000562035509 1044052739 /nfs/dbraw/zinc/05/27/39/1044052739.db2.gz ATXIAGNPZKJSEL-LJQANCHMSA-N 1 0 305.425 4.147 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000358378097 1044062156 /nfs/dbraw/zinc/06/21/56/1044062156.db2.gz UTZXVYYWAQULMA-GFCCVEGCSA-N 1 0 322.499 4.423 20 30 DIEDRO C[C@@H]([NH2+]C1CC(C(F)(F)F)C1)c1ccc(C#N)cc1Cl ZINC000562086513 1044063284 /nfs/dbraw/zinc/06/32/84/1044063284.db2.gz IEWKLBUJTVMUFE-MFAVDMRSSA-N 1 0 302.727 4.203 20 30 DIEDRO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000248597531 1044071509 /nfs/dbraw/zinc/07/15/09/1044071509.db2.gz ATELKDJSJAYAMK-KSSFIOAISA-N 1 0 310.397 4.196 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(C#N)cc1F ZINC000358577836 1044083876 /nfs/dbraw/zinc/08/38/76/1044083876.db2.gz VIXGDLQUPTZVTO-SCLBCKFNSA-N 1 0 310.372 4.262 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000280941653 1044085047 /nfs/dbraw/zinc/08/50/47/1044085047.db2.gz WBJNIYPQKSIWFC-YEWWUXTCSA-N 1 0 315.413 4.073 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H]1CCc2cc(F)c(OC)cc21)c1ccccc1 ZINC000281146922 1044096396 /nfs/dbraw/zinc/09/63/96/1044096396.db2.gz ARZUNVDXOIJIAP-MOPGFXCFSA-N 1 0 309.384 4.176 20 30 DIEDRO CCCCCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000778071380 1044105609 /nfs/dbraw/zinc/10/56/09/1044105609.db2.gz CATUYZYBARKIGJ-UHFFFAOYSA-N 1 0 310.445 4.019 20 30 DIEDRO CCC[N@H+](Cc1cc2cccnc2o1)Cc1ccc(C#N)cc1 ZINC000562515883 1044123724 /nfs/dbraw/zinc/12/37/24/1044123724.db2.gz QPAWLLVCKVYACU-UHFFFAOYSA-N 1 0 305.381 4.112 20 30 DIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000281394380 1044128066 /nfs/dbraw/zinc/12/80/66/1044128066.db2.gz YHIXHYLBWWWLCX-SGTLLEGYSA-N 1 0 310.372 4.044 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OC ZINC000129504897 1044159572 /nfs/dbraw/zinc/15/95/72/1044159572.db2.gz WBNLWDVNGGUDSB-QAPCUYQASA-N 1 0 324.424 4.227 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1F ZINC000346873499 1044167527 /nfs/dbraw/zinc/16/75/27/1044167527.db2.gz OFNALNRVNGXEIH-XCLFUZPHSA-N 1 0 319.383 4.297 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]Cc1sccc1C ZINC000778163393 1044192395 /nfs/dbraw/zinc/19/23/95/1044192395.db2.gz COUJADUOKOYSDU-UHFFFAOYSA-N 1 0 305.830 4.012 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(F)c(F)c1 ZINC000187445686 1044194067 /nfs/dbraw/zinc/19/40/67/1044194067.db2.gz TYTMHIQAAMTBRR-GOSISDBHSA-N 1 0 319.351 4.086 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)CCC1 ZINC000359855573 1044209782 /nfs/dbraw/zinc/20/97/82/1044209782.db2.gz SEHVMTNAAMYHNY-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO COCc1c(C)cc(C)c(C[NH2+]Cc2ccc(CC#N)cc2)c1C ZINC000883152347 1044224564 /nfs/dbraw/zinc/22/45/64/1044224564.db2.gz RXZPVPSYYCNMNW-UHFFFAOYSA-N 1 0 322.452 4.114 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1csc(-c2ccco2)n1)[C@H]1CCCO1 ZINC000883199116 1044231606 /nfs/dbraw/zinc/23/16/06/1044231606.db2.gz XEWUFVWLTRLBEK-LSDHHAIUSA-N 1 0 318.442 4.007 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000883209356 1044234467 /nfs/dbraw/zinc/23/44/67/1044234467.db2.gz ANMRVARFHKJUQZ-SLFFLAALSA-N 1 0 315.457 4.012 20 30 DIEDRO Cc1cccnc1[C@H](NCc1ccc(F)cc1C#N)C(C)(C)C ZINC000934289749 1044234779 /nfs/dbraw/zinc/23/47/79/1044234779.db2.gz JWSXYAQEMOXFOZ-SFHVURJKSA-N 1 0 311.404 4.278 20 30 DIEDRO Cc1cccnc1[C@@H](NCc1cc(C#N)ccc1F)C(C)(C)C ZINC000934294461 1044235266 /nfs/dbraw/zinc/23/52/66/1044235266.db2.gz RDQSSLDFKRPIIV-GOSISDBHSA-N 1 0 311.404 4.278 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000883218646 1044237663 /nfs/dbraw/zinc/23/76/63/1044237663.db2.gz FGBWUGROGSNYHH-HIEASXQVSA-N 1 0 309.494 4.074 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)nc1 ZINC000840747190 1044238103 /nfs/dbraw/zinc/23/81/03/1044238103.db2.gz MSMZIHAFRKKFQW-DOTOQJQBSA-N 1 0 311.816 4.033 20 30 DIEDRO C=CC[C@@H]1CCN1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468709 1044252469 /nfs/dbraw/zinc/25/24/69/1044252469.db2.gz HLCDZSHQQVCPKH-IUODEOHRSA-N 1 0 317.820 4.025 20 30 DIEDRO COc1ccc(C2CC2)cc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000883266992 1044255827 /nfs/dbraw/zinc/25/58/27/1044255827.db2.gz PPPJEDWNYUIYPD-FQEVSTJZSA-N 1 0 318.420 4.221 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934560546 1044258651 /nfs/dbraw/zinc/25/86/51/1044258651.db2.gz LHSRMAJINWTSED-INIZCTEOSA-N 1 0 322.456 4.023 20 30 DIEDRO N#CCCCOc1cccc(C[NH+]2CCC(F)(C3CC3)CC2)c1 ZINC000896946386 1044268770 /nfs/dbraw/zinc/26/87/70/1044268770.db2.gz IVOAKCXEPTWBTJ-UHFFFAOYSA-N 1 0 316.420 4.083 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnc2c(cnn2C)c1)c1ccccc1 ZINC000883324703 1044273215 /nfs/dbraw/zinc/27/32/15/1044273215.db2.gz ASCKBKGUIDHTKV-LJQANCHMSA-N 1 0 320.440 4.156 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000934877800 1044290399 /nfs/dbraw/zinc/29/03/99/1044290399.db2.gz SSOOMPZXBMGKBV-YJBOKZPZSA-N 1 0 315.461 4.056 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000934881822 1044293456 /nfs/dbraw/zinc/29/34/56/1044293456.db2.gz ZZHAOQVCZVEGMN-UHFFFAOYSA-N 1 0 315.461 4.058 20 30 DIEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000360656570 1044296058 /nfs/dbraw/zinc/29/60/58/1044296058.db2.gz IWVONDHGMCPGPP-HOJAQTOUSA-N 1 0 312.457 4.119 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000360655206 1044296161 /nfs/dbraw/zinc/29/61/61/1044296161.db2.gz CCFDKHXQNREWSB-LJQANCHMSA-N 1 0 321.380 4.024 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000360655207 1044297609 /nfs/dbraw/zinc/29/76/09/1044297609.db2.gz CDRXRCMKLIAJKU-LEWJYISDSA-N 1 0 317.436 4.462 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000523008560 1044303545 /nfs/dbraw/zinc/30/35/45/1044303545.db2.gz ZDWGFZUPGHTWDW-UHFFFAOYSA-N 1 0 305.447 4.067 20 30 DIEDRO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000563716037 1044306758 /nfs/dbraw/zinc/30/67/58/1044306758.db2.gz MSDVEKBNGDBIJQ-CQSZACIVSA-N 1 0 321.380 4.192 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000360842508 1044317197 /nfs/dbraw/zinc/31/71/97/1044317197.db2.gz WXMVLZOAOZSGFE-HXUWFJFHSA-N 1 0 306.409 4.124 20 30 DIEDRO CN(C)c1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360841685 1044318130 /nfs/dbraw/zinc/31/81/30/1044318130.db2.gz SYMDGZFFWKRMAC-OAQYLSRUSA-N 1 0 319.452 4.182 20 30 DIEDRO C=C(C)C[N@@H+](CC)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168059778 1044329426 /nfs/dbraw/zinc/32/94/26/1044329426.db2.gz HCNHTBRHJSBAGJ-QZTJIDSGSA-N 1 0 300.490 4.326 20 30 DIEDRO CC(C)c1ccc(O[C@@H](C)C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000564101635 1044340516 /nfs/dbraw/zinc/34/05/16/1044340516.db2.gz ARAQSUPMBLWSHR-AWEZNQCLSA-N 1 0 314.454 4.300 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001253254876 1044350278 /nfs/dbraw/zinc/35/02/78/1044350278.db2.gz UTPNEGRFCMCLDE-JKSUJKDBSA-N 1 0 303.437 4.289 20 30 DIEDRO COc1cc(C[NH2+]CC(C)(C)c2ccc(C)cc2C)ccc1C#N ZINC001202560262 1044351327 /nfs/dbraw/zinc/35/13/27/1044351327.db2.gz DAMFVAKZJIVUNJ-UHFFFAOYSA-N 1 0 322.452 4.251 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCOc2ccc(Cl)c(Cl)c2)cc1 ZINC001202586971 1044363605 /nfs/dbraw/zinc/36/36/05/1044363605.db2.gz BECFTRLLYGMBIT-UHFFFAOYSA-N 1 0 321.207 4.034 20 30 DIEDRO CCCCOc1ccccc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000564420018 1044376686 /nfs/dbraw/zinc/37/66/86/1044376686.db2.gz NLKJFUJAFCMVHW-UHFFFAOYSA-N 1 0 324.424 4.036 20 30 DIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361510773 1044412400 /nfs/dbraw/zinc/41/24/00/1044412400.db2.gz LEUUOGXZADIJSI-GFCCVEGCSA-N 1 0 321.346 4.109 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2cccnc2)cc1 ZINC000133555543 1044412982 /nfs/dbraw/zinc/41/29/82/1044412982.db2.gz CIWDCLDASWQLEP-HNNXBMFYSA-N 1 0 316.832 4.106 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000237479356 1044435481 /nfs/dbraw/zinc/43/54/81/1044435481.db2.gz YDYQXLHUPADLFW-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO C=CCOc1ccc(C[N@H+](CCC)CCc2ccccn2)cc1 ZINC000565509408 1044438753 /nfs/dbraw/zinc/43/87/53/1044438753.db2.gz XKCBAMXYOVNPAQ-UHFFFAOYSA-N 1 0 310.441 4.101 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C)(C)CC1)c1ccc(OCC#N)cc1 ZINC000320635135 1044439977 /nfs/dbraw/zinc/43/99/77/1044439977.db2.gz GVKCPDKTUFAHTJ-HNNXBMFYSA-N 1 0 300.446 4.456 20 30 DIEDRO CC[N@H+](Cc1cccc(C(C)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000294782116 1044460076 /nfs/dbraw/zinc/46/00/76/1044460076.db2.gz AOXLHIARYWFZHM-HNNXBMFYSA-N 1 0 306.409 4.344 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000840887781 1044469154 /nfs/dbraw/zinc/46/91/54/1044469154.db2.gz PJGVIZXKUPLXGM-PXNSSMCTSA-N 1 0 320.436 4.427 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000609915681 1044479504 /nfs/dbraw/zinc/47/95/04/1044479504.db2.gz KDWRNBPAQDRIFE-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)s1 ZINC000295019345 1044482014 /nfs/dbraw/zinc/48/20/14/1044482014.db2.gz KJDNPEPIAQQNMG-GWCFXTLKSA-N 1 0 302.365 4.221 20 30 DIEDRO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCCC#N)cc1 ZINC000362290914 1044497108 /nfs/dbraw/zinc/49/71/08/1044497108.db2.gz UHRKTAQNQFBLNL-OALUTQOASA-N 1 0 300.446 4.393 20 30 DIEDRO CC[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(C#N)cc1 ZINC000348319026 1044506368 /nfs/dbraw/zinc/50/63/68/1044506368.db2.gz LKMDZPWSNPUDED-JLBUNGTFSA-N 1 0 310.372 4.260 20 30 DIEDRO CC[N@H+](Cc1ccc(C(C)=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000295449536 1044528819 /nfs/dbraw/zinc/52/88/19/1044528819.db2.gz HAUAAMAKIZPENM-HNNXBMFYSA-N 1 0 306.409 4.344 20 30 DIEDRO CC[N@H+](Cc1ccc(C(C)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000295449543 1044529064 /nfs/dbraw/zinc/52/90/64/1044529064.db2.gz HAUAAMAKIZPENM-OAHLLOKOSA-N 1 0 306.409 4.344 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(c3ccsc3)CC2)c1F ZINC000362658612 1044542024 /nfs/dbraw/zinc/54/20/24/1044542024.db2.gz RVQWHIGTTALCKU-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO COc1cc(C[NH2+]C[C@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000567151651 1044546212 /nfs/dbraw/zinc/54/62/12/1044546212.db2.gz XLIRHESDFKUNJW-ZDUSSCGKSA-N 1 0 314.816 4.114 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1C)c1ccccc1 ZINC000909604105 1044558371 /nfs/dbraw/zinc/55/83/71/1044558371.db2.gz NPGUQFXQOMJUHS-SFHVURJKSA-N 1 0 322.452 4.355 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000567353624 1044561968 /nfs/dbraw/zinc/56/19/68/1044561968.db2.gz BNAZQSHUPPUTNX-UHFFFAOYSA-N 1 0 312.335 4.101 20 30 DIEDRO Cc1cccnc1C(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000567404041 1044563866 /nfs/dbraw/zinc/56/38/66/1044563866.db2.gz WYFBHKRTDNEEDL-CQSZACIVSA-N 1 0 311.404 4.029 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000444595825 1044572177 /nfs/dbraw/zinc/57/21/77/1044572177.db2.gz KEAMYTNSMGVFRR-LJQANCHMSA-N 1 0 314.473 4.388 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1nc2ccccc2s1 ZINC000444593406 1044572487 /nfs/dbraw/zinc/57/24/87/1044572487.db2.gz KDKNTHAASLGSIP-UHFFFAOYSA-N 1 0 301.459 4.448 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000444647706 1044583644 /nfs/dbraw/zinc/58/36/44/1044583644.db2.gz LXDXGCJCZAYNDP-IBGZPJMESA-N 1 0 313.489 4.307 20 30 DIEDRO C[C@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444646907 1044583931 /nfs/dbraw/zinc/58/39/31/1044583931.db2.gz KDJCIOUVUCSXMX-SFHVURJKSA-N 1 0 304.437 4.371 20 30 DIEDRO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(CC#N)cc3)cc2c1C ZINC000567854054 1044586998 /nfs/dbraw/zinc/58/69/98/1044586998.db2.gz XVFLEIWHUKNQQO-UHFFFAOYSA-N 1 0 303.409 4.141 20 30 DIEDRO CCC[N@H+](CCCCC(C)(C)C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000444641037 1044589056 /nfs/dbraw/zinc/58/90/56/1044589056.db2.gz ONRSITZOLATMFZ-BBWFWOEESA-N 1 0 306.494 4.232 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccc(C#N)cc1 ZINC000363169358 1044591306 /nfs/dbraw/zinc/59/13/06/1044591306.db2.gz PIVMDNGYBQINNU-HNNXBMFYSA-N 1 0 323.415 4.017 20 30 DIEDRO C#CC[NH2+][C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 ZINC000778617423 1044592485 /nfs/dbraw/zinc/59/24/85/1044592485.db2.gz SKJFDEVSYUPITJ-KRWDZBQOSA-N 1 0 319.326 4.026 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccncc1 ZINC000885988454 1044598253 /nfs/dbraw/zinc/59/82/53/1044598253.db2.gz JXCFLZKIIYUXJQ-ROUUACIJSA-N 1 0 300.446 4.170 20 30 DIEDRO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCCCC(C)(C)C#N ZINC000444681586 1044600349 /nfs/dbraw/zinc/60/03/49/1044600349.db2.gz VKWAMHVRMKQUAF-WMZOPIPTSA-N 1 0 300.446 4.168 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)cc1OC ZINC000444683163 1044601565 /nfs/dbraw/zinc/60/15/65/1044601565.db2.gz DQZCIWCCOZGGGL-OAHLLOKOSA-N 1 0 318.461 4.465 20 30 DIEDRO C[NH+](C)CCOc1cccc(Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC001212807825 1044614499 /nfs/dbraw/zinc/61/44/99/1044614499.db2.gz BOZGEVLNQAFNPI-UHFFFAOYSA-N 1 0 323.440 4.172 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2cnn(C)c2C(F)(F)F)CCCC1(C)C ZINC000444782630 1044620710 /nfs/dbraw/zinc/62/07/10/1044620710.db2.gz IVLSROSWIYDVMS-CYBMUJFWSA-N 1 0 315.383 4.006 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCOC1CCCCC1)c1ccccc1 ZINC000886215997 1044626568 /nfs/dbraw/zinc/62/65/68/1044626568.db2.gz UTDNRUHJKAPKJQ-LJQANCHMSA-N 1 0 300.446 4.360 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCOC1CCCCC1)c1ccccc1 ZINC000886215996 1044626609 /nfs/dbraw/zinc/62/66/09/1044626609.db2.gz UTDNRUHJKAPKJQ-IBGZPJMESA-N 1 0 300.446 4.360 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2csc(C)c2C)cc1C#N ZINC000886277121 1044628304 /nfs/dbraw/zinc/62/83/04/1044628304.db2.gz HROSNQNZALGRGT-UHFFFAOYSA-N 1 0 302.468 4.248 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2nnc(C3CC3)n2C2CC2)CCCC1(C)C ZINC000444793899 1044631045 /nfs/dbraw/zinc/63/10/45/1044631045.db2.gz UKBYEYIPTRLUPZ-INIZCTEOSA-N 1 0 314.477 4.057 20 30 DIEDRO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000568569241 1044635422 /nfs/dbraw/zinc/63/54/22/1044635422.db2.gz JYKZPWYXQKKWBO-HXUWFJFHSA-N 1 0 320.436 4.122 20 30 DIEDRO COc1ccc(C(C)(C)C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000568569240 1044636689 /nfs/dbraw/zinc/63/66/89/1044636689.db2.gz JYKZPWYXQKKWBO-FQEVSTJZSA-N 1 0 320.436 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cl)cc1F)CC2 ZINC000568806365 1044653174 /nfs/dbraw/zinc/65/31/74/1044653174.db2.gz GMVKLVDRFRGSMN-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO CC[C@H]([NH2+]CC1(c2ccccc2OC)CC1)c1ccc(C#N)cc1 ZINC000568830353 1044654984 /nfs/dbraw/zinc/65/49/84/1044654984.db2.gz HUNKVNRKFARWFB-IBGZPJMESA-N 1 0 320.436 4.339 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000367173654 1044658409 /nfs/dbraw/zinc/65/84/09/1044658409.db2.gz MMXPGWJHEBOLOF-CYBMUJFWSA-N 1 0 302.384 4.371 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1cncc(C(=O)OC)c1)c1ccccc1 ZINC000886553123 1044658372 /nfs/dbraw/zinc/65/83/72/1044658372.db2.gz DSSNISPHAKXNKQ-HNAYVOBHSA-N 1 0 324.424 4.226 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH2+][C@@H](CCSC)C(N)=O ZINC001257550931 1044668515 /nfs/dbraw/zinc/66/85/15/1044668515.db2.gz XVIVSDQHEKYRID-HOTGVXAUSA-N 1 0 316.555 4.102 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)cc1 ZINC000569068361 1044672353 /nfs/dbraw/zinc/67/23/53/1044672353.db2.gz JDMKGUPNVKVABO-UHFFFAOYSA-N 1 0 306.340 4.247 20 30 DIEDRO C#CCC1([NH2+]Cc2cnc(CC(F)(F)F)s2)CCCCC1 ZINC000897336246 1044676919 /nfs/dbraw/zinc/67/69/19/1044676919.db2.gz ADGDKLMWHWRNLA-UHFFFAOYSA-N 1 0 316.392 4.064 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)cc1 ZINC000886686455 1044679746 /nfs/dbraw/zinc/67/97/46/1044679746.db2.gz QLYUCYPOYTWBGC-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1C#N ZINC000886690540 1044680646 /nfs/dbraw/zinc/68/06/46/1044680646.db2.gz XQQPGZXDYNNEDK-LJQANCHMSA-N 1 0 323.465 4.306 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(C)nc2C)cc1C#N ZINC000886688446 1044680685 /nfs/dbraw/zinc/68/06/85/1044680685.db2.gz RTRCFJFOWDCGND-CYBMUJFWSA-N 1 0 311.454 4.143 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1ccccc1O ZINC000886689528 1044681445 /nfs/dbraw/zinc/68/14/45/1044681445.db2.gz BUQYTSLXLJQWOU-INIZCTEOSA-N 1 0 312.438 4.227 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1C#N ZINC000886690434 1044681824 /nfs/dbraw/zinc/68/18/24/1044681824.db2.gz WGDVOTULHHDBKB-QGZVFWFLSA-N 1 0 324.449 4.153 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2sc(C)nc2C)cc1C#N ZINC000886688449 1044681936 /nfs/dbraw/zinc/68/19/36/1044681936.db2.gz RUGHCRJBESZYSZ-SNVBAGLBSA-N 1 0 317.483 4.204 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1C#N ZINC000886690271 1044681945 /nfs/dbraw/zinc/68/19/45/1044681945.db2.gz SNGQPFNBNKYNBA-ZDUSSCGKSA-N 1 0 312.438 4.145 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886712537 1044687433 /nfs/dbraw/zinc/68/74/33/1044687433.db2.gz GFOKCUKCJRPKOX-ZWKOTPCHSA-N 1 0 309.494 4.077 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075863814 1044691061 /nfs/dbraw/zinc/69/10/61/1044691061.db2.gz DOMAUGUTZBRZQM-XLIONFOSSA-N 1 0 320.436 4.158 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000365455782 1044692942 /nfs/dbraw/zinc/69/29/42/1044692942.db2.gz DUFHGGQQGQDJDM-IBGZPJMESA-N 1 0 312.457 4.233 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000569326411 1044695110 /nfs/dbraw/zinc/69/51/10/1044695110.db2.gz VNUYGGIKRCXBKC-HKUYNNGSSA-N 1 0 306.409 4.047 20 30 DIEDRO C[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000886773849 1044695341 /nfs/dbraw/zinc/69/53/41/1044695341.db2.gz CDVLPKUUDNQLMG-RDTXWAMCSA-N 1 0 316.420 4.087 20 30 DIEDRO C[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000886773864 1044695736 /nfs/dbraw/zinc/69/57/36/1044695736.db2.gz CHIVAOGYIVDPEJ-RDTXWAMCSA-N 1 0 316.420 4.087 20 30 DIEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CCCCC(C)(C)C#N)C1 ZINC000365799356 1044702206 /nfs/dbraw/zinc/70/22/06/1044702206.db2.gz MFYJDGUBPMXCFY-HCXYKTFWSA-N 1 0 320.521 4.358 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)cc1 ZINC000367200723 1044734222 /nfs/dbraw/zinc/73/42/22/1044734222.db2.gz PVJQZLQAUDSUNK-DJIMGWMZSA-N 1 0 324.399 4.152 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000368030989 1044763105 /nfs/dbraw/zinc/76/31/05/1044763105.db2.gz RESXMZWESJCCTP-MRXNPFEDSA-N 1 0 315.420 4.013 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000570687694 1044773583 /nfs/dbraw/zinc/77/35/83/1044773583.db2.gz YXAVKDLAZVPTRZ-IBGZPJMESA-N 1 0 323.396 4.262 20 30 DIEDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000123327560 1044783734 /nfs/dbraw/zinc/78/37/34/1044783734.db2.gz PQKUFDYKLQRHBD-LPHOPBHVSA-N 1 0 321.424 4.038 20 30 DIEDRO CC[NH+](CC)CCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000088734142 1044788634 /nfs/dbraw/zinc/78/86/34/1044788634.db2.gz OKKAGUFNFNICED-UHFFFAOYSA-N 1 0 302.365 4.011 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000570978064 1044792080 /nfs/dbraw/zinc/79/20/80/1044792080.db2.gz NKPBIOXUPQQQJY-SESVDKBCSA-N 1 0 302.421 4.471 20 30 DIEDRO CC[C@H](c1ccc(Br)cc1)N1CCC(C#N)CC1 ZINC000124792834 1044794795 /nfs/dbraw/zinc/79/47/95/1044794795.db2.gz LTCQQGZXBJIBFO-OAHLLOKOSA-N 1 0 307.235 4.136 20 30 DIEDRO C[C@H](c1ccncc1)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000127533382 1044826258 /nfs/dbraw/zinc/82/62/58/1044826258.db2.gz XYYOOKXOFLIYFL-CQSZACIVSA-N 1 0 318.342 4.145 20 30 DIEDRO COc1cc(C[NH+]2CCC(c3ccccc3F)CC2)ccc1C#N ZINC000571845909 1044831503 /nfs/dbraw/zinc/83/15/03/1044831503.db2.gz CUOKWHPYTQOPCQ-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000571919687 1044833765 /nfs/dbraw/zinc/83/37/65/1044833765.db2.gz ZGJOQBXWHQMTQI-CYBMUJFWSA-N 1 0 314.816 4.265 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1CCC(C#N)CC1 ZINC000572144204 1044844282 /nfs/dbraw/zinc/84/42/82/1044844282.db2.gz BUDMHIUEGGVTQP-NFOMZHRRSA-N 1 0 306.400 4.205 20 30 DIEDRO N#CC1(CCC[N@H+]2CCC[C@H]2c2ccc(F)cc2)CCOCC1 ZINC000337142443 1044867076 /nfs/dbraw/zinc/86/70/76/1044867076.db2.gz WXZCIMDVTAZLEJ-SFHVURJKSA-N 1 0 316.420 4.063 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000337164051 1044869167 /nfs/dbraw/zinc/86/91/67/1044869167.db2.gz XHXYATJTBVYBNE-KRWDZBQOSA-N 1 0 312.457 4.313 20 30 DIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000121626275 1044870226 /nfs/dbraw/zinc/87/02/26/1044870226.db2.gz LOUNSRDPKZHSEP-RYUDHWBXSA-N 1 0 322.330 4.452 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000371392984 1044872553 /nfs/dbraw/zinc/87/25/53/1044872553.db2.gz WSJQUVMKBLJXDJ-UONOGXRCSA-N 1 0 312.438 4.158 20 30 DIEDRO C=C(C)C[N@@H+](CC[C@@H](C)c1ccccc1)Cc1ccc(CO)o1 ZINC000572921480 1044885395 /nfs/dbraw/zinc/88/53/95/1044885395.db2.gz MXENHCLPOVHRIB-QGZVFWFLSA-N 1 0 313.441 4.344 20 30 DIEDRO CC(C)[N@H+](Cc1cccs1)Cc1ccc(OCC#N)cc1 ZINC000264565709 1044892942 /nfs/dbraw/zinc/89/29/42/1044892942.db2.gz PSNXFCZURAEHMP-UHFFFAOYSA-N 1 0 300.427 4.061 20 30 DIEDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264557945 1044894576 /nfs/dbraw/zinc/89/45/76/1044894576.db2.gz NNTHMQHOXONECP-ZDUSSCGKSA-N 1 0 316.351 4.060 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475639751 1044899259 /nfs/dbraw/zinc/89/92/59/1044899259.db2.gz PKFJIIVTFBHZST-CYBMUJFWSA-N 1 0 301.352 4.115 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)CC2)c1 ZINC000337488982 1044907262 /nfs/dbraw/zinc/90/72/62/1044907262.db2.gz UURGTPUXARJULM-XLIONFOSSA-N 1 0 317.436 4.258 20 30 DIEDRO Cc1ccccc1C1(C[NH2+]C[C@H](C#N)CCC#N)CCCCC1 ZINC000573829360 1044924965 /nfs/dbraw/zinc/92/49/65/1044924965.db2.gz IHBYMBBTCMMAGI-SFHVURJKSA-N 1 0 309.457 4.230 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000573886263 1044930380 /nfs/dbraw/zinc/93/03/80/1044930380.db2.gz FMMBVPULUCRPSQ-WOJBJXKFSA-N 1 0 308.400 4.318 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000157764027 1044943285 /nfs/dbraw/zinc/94/32/85/1044943285.db2.gz UNPNGJQBZZOGBX-UHFFFAOYSA-N 1 0 318.848 4.175 20 30 DIEDRO C=CCCCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000574485688 1044955837 /nfs/dbraw/zinc/95/58/37/1044955837.db2.gz AMLPMGMWVSUILU-HNNXBMFYSA-N 1 0 313.445 4.292 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccncc1F ZINC000338019881 1044975220 /nfs/dbraw/zinc/97/52/20/1044975220.db2.gz NULLARSKSVTZQK-YJYMSZOUSA-N 1 0 309.388 4.211 20 30 DIEDRO Cc1oncc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000373419772 1044976648 /nfs/dbraw/zinc/97/66/48/1044976648.db2.gz BAJYMOZTFKFFOL-AWEZNQCLSA-N 1 0 317.392 4.373 20 30 DIEDRO COc1ccccc1C[C@H](C)N(CCC#N)Cc1ccccc1 ZINC000338264155 1044988362 /nfs/dbraw/zinc/98/83/62/1044988362.db2.gz OQLPZYSRARDYQT-KRWDZBQOSA-N 1 0 308.425 4.042 20 30 DIEDRO C[C@@H](CCC#N)[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000411250077 1044988637 /nfs/dbraw/zinc/98/86/37/1044988637.db2.gz DYRBLGQZILIODH-KRWDZBQOSA-N 1 0 324.472 4.414 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccco1 ZINC000373700357 1045003168 /nfs/dbraw/zinc/00/31/68/1045003168.db2.gz MJDVDYJJKBCEGN-KRWDZBQOSA-N 1 0 307.397 4.262 20 30 DIEDRO C[C@@H]1C[C@@H]1C[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047045171 1045005797 /nfs/dbraw/zinc/00/57/97/1045005797.db2.gz IRRPWPXMJXESEP-IIBYNOLFSA-N 1 0 315.420 4.088 20 30 DIEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000411399413 1045006945 /nfs/dbraw/zinc/00/69/45/1045006945.db2.gz LGWXNCPJRQLBBE-GHMZBOCLSA-N 1 0 317.380 4.034 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC000925185564 1045015366 /nfs/dbraw/zinc/01/53/66/1045015366.db2.gz DFZJZMKNXWBMOU-WDSOQIARSA-N 1 0 314.473 4.381 20 30 DIEDRO CCn1ccnc1[C@@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000411684008 1045023134 /nfs/dbraw/zinc/02/31/34/1045023134.db2.gz SGCPNHBCRVBCDS-KRWDZBQOSA-N 1 0 314.477 4.294 20 30 DIEDRO CC(C)(CO)[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccccc1 ZINC000411646838 1045023497 /nfs/dbraw/zinc/02/34/97/1045023497.db2.gz WLIGVJIACJNFDK-SFHVURJKSA-N 1 0 314.473 4.200 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000151374304 1045023754 /nfs/dbraw/zinc/02/37/54/1045023754.db2.gz BQADMHPEZIPYBE-QGZVFWFLSA-N 1 0 312.800 4.215 20 30 DIEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000411776929 1045027460 /nfs/dbraw/zinc/02/74/60/1045027460.db2.gz DBSNJHXIPUIUOV-DZGCQCFKSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000411775868 1045030399 /nfs/dbraw/zinc/03/03/99/1045030399.db2.gz YYYUJMIYJDEVIA-AWEZNQCLSA-N 1 0 301.390 4.110 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000576077685 1045032461 /nfs/dbraw/zinc/03/24/61/1045032461.db2.gz ZGZASTPBOVMWHX-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000374164487 1045033204 /nfs/dbraw/zinc/03/32/04/1045033204.db2.gz RDMPDCONDVMOCK-LJQANCHMSA-N 1 0 312.457 4.233 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](Cc1ccc(C)s1)C(C)C ZINC000446768717 1045033489 /nfs/dbraw/zinc/03/34/89/1045033489.db2.gz ZLIXLIRRANALPI-UHFFFAOYSA-N 1 0 314.454 4.347 20 30 DIEDRO C=CCC[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000525329117 1045037320 /nfs/dbraw/zinc/03/73/20/1045037320.db2.gz BCBXKKBBVIGYFD-ZDUSSCGKSA-N 1 0 312.276 4.494 20 30 DIEDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000412066495 1045054567 /nfs/dbraw/zinc/05/45/67/1045054567.db2.gz LMFATSWYQGTLPJ-INIZCTEOSA-N 1 0 322.493 4.150 20 30 DIEDRO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000153677722 1045059782 /nfs/dbraw/zinc/05/97/82/1045059782.db2.gz ZNFYUHHIBBEZBR-MRXNPFEDSA-N 1 0 311.473 4.006 20 30 DIEDRO COc1ccc([C@H](CCC#N)[NH2+]CCOc2cccc(C)c2)cc1 ZINC000576594463 1045065143 /nfs/dbraw/zinc/06/51/43/1045065143.db2.gz ZWDHGWPWCDOKBC-FQEVSTJZSA-N 1 0 324.424 4.017 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000576577323 1045066899 /nfs/dbraw/zinc/06/68/99/1045066899.db2.gz URYAYTDQWMXRJW-XUJVJEKNSA-N 1 0 301.352 4.072 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000446904592 1045068680 /nfs/dbraw/zinc/06/86/80/1045068680.db2.gz NCQHZQYDVSUGSF-LALPHHSUSA-N 1 0 307.235 4.182 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC000158827893 1045074712 /nfs/dbraw/zinc/07/47/12/1045074712.db2.gz IGYSTQUCRUMYEZ-IBGZPJMESA-N 1 0 306.409 4.364 20 30 DIEDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374691885 1045083753 /nfs/dbraw/zinc/08/37/53/1045083753.db2.gz FGQWNEOVLWFEBR-MRXNPFEDSA-N 1 0 318.420 4.223 20 30 DIEDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374693624 1045084354 /nfs/dbraw/zinc/08/43/54/1045084354.db2.gz LOXRVKNZXAMVMB-MRXNPFEDSA-N 1 0 320.436 4.302 20 30 DIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000576990923 1045092325 /nfs/dbraw/zinc/09/23/25/1045092325.db2.gz SNSSMUQIPKNLHO-IIBYNOLFSA-N 1 0 320.436 4.131 20 30 DIEDRO CCCC[C@H](CCC)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000577425122 1045123409 /nfs/dbraw/zinc/12/34/09/1045123409.db2.gz OLBBYCOERZUZTE-SFHVURJKSA-N 1 0 313.489 4.476 20 30 DIEDRO CC[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccc(C#N)cc1 ZINC000447518552 1045136124 /nfs/dbraw/zinc/13/61/24/1045136124.db2.gz WNYJCZDSVSJMKR-SFHVURJKSA-N 1 0 318.424 4.039 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1F ZINC000468265675 1045136283 /nfs/dbraw/zinc/13/62/83/1045136283.db2.gz GPFYUQKBWWCUCO-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](C)COCc1ccccc1)c1ccc(C#N)cc1 ZINC000447530387 1045137867 /nfs/dbraw/zinc/13/78/67/1045137867.db2.gz MNPHPECXZUROGI-DYESRHJHSA-N 1 0 322.452 4.452 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1OC)c1ccc(C#N)cc1 ZINC000447536229 1045141064 /nfs/dbraw/zinc/14/10/64/1045141064.db2.gz LTXOKIVSGXRILH-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO CC[C@H]([NH2+]CCO[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447543602 1045142529 /nfs/dbraw/zinc/14/25/29/1045142529.db2.gz SFMKXABMOQMLEQ-SNRMKQJTSA-N 1 0 300.446 4.194 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1OC(C)C ZINC000447545625 1045143022 /nfs/dbraw/zinc/14/30/22/1045143022.db2.gz RZPJYJXCJPNUGU-UXLLHSPISA-N 1 0 316.445 4.215 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000447543892 1045143843 /nfs/dbraw/zinc/14/38/43/1045143843.db2.gz TTZKGKNOFVUMFQ-SFTDATJTSA-N 1 0 321.468 4.210 20 30 DIEDRO CCO[C@H](C[NH2+][C@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447555729 1045149186 /nfs/dbraw/zinc/14/91/86/1045149186.db2.gz CWMXSOYCPFFEKL-WOJBJXKFSA-N 1 0 308.425 4.377 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1ccc(C#N)cc1 ZINC000447564007 1045150821 /nfs/dbraw/zinc/15/08/21/1045150821.db2.gz UCGSUVQTHWRJHS-KSSFIOAISA-N 1 0 312.388 4.206 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1ccc(C#N)cc1 ZINC000447564005 1045151565 /nfs/dbraw/zinc/15/15/65/1045151565.db2.gz UCGSUVQTHWRJHS-KBXCAEBGSA-N 1 0 312.388 4.206 20 30 DIEDRO CC[C@H]([NH2+]CCc1cccc(F)c1F)c1ccc(C#N)cc1 ZINC000447582357 1045153330 /nfs/dbraw/zinc/15/33/30/1045153330.db2.gz ZECXBUFRABLXDR-KRWDZBQOSA-N 1 0 300.352 4.120 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000447591345 1045155751 /nfs/dbraw/zinc/15/57/51/1045155751.db2.gz HQRXVWHZMOUMNU-SJORKVTESA-N 1 0 318.411 4.302 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000447596280 1045156567 /nfs/dbraw/zinc/15/65/67/1045156567.db2.gz PQFOPCQYVIABQX-ORYQWCPZSA-N 1 0 321.468 4.290 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1 ZINC000447602932 1045160794 /nfs/dbraw/zinc/16/07/94/1045160794.db2.gz WGIXZFKJFWNIDE-RBUKOAKNSA-N 1 0 312.457 4.481 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000924577035 1045177693 /nfs/dbraw/zinc/17/76/93/1045177693.db2.gz FJTMVHGESSPEDP-CQSZACIVSA-N 1 0 313.470 4.271 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000924577034 1045178661 /nfs/dbraw/zinc/17/86/61/1045178661.db2.gz FJTMVHGESSPEDP-AWEZNQCLSA-N 1 0 313.470 4.271 20 30 DIEDRO CC1(C)C[N@H+](CCOc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000557444926 1045180715 /nfs/dbraw/zinc/18/07/15/1045180715.db2.gz ANERUXJCIXMMMK-KRWDZBQOSA-N 1 0 312.438 4.082 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C(F)F)nc1 ZINC000601127252 1045189687 /nfs/dbraw/zinc/18/96/87/1045189687.db2.gz CZBSWJWUIFRSMR-MRXNPFEDSA-N 1 0 313.351 4.058 20 30 DIEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)c1ccsc1 ZINC000924659652 1045189640 /nfs/dbraw/zinc/18/96/40/1045189640.db2.gz RAHAYDBDCHIKKG-HOCLYGCPSA-N 1 0 307.507 4.049 20 30 DIEDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000527105994 1045194914 /nfs/dbraw/zinc/19/49/14/1045194914.db2.gz MOZCIGCQXHHOPV-CVEARBPZSA-N 1 0 308.425 4.158 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000924806929 1045199869 /nfs/dbraw/zinc/19/98/69/1045199869.db2.gz RQGIGMMAGBMHOY-CABCVRRESA-N 1 0 319.880 4.084 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(OC)c1OC ZINC000601266643 1045208146 /nfs/dbraw/zinc/20/81/46/1045208146.db2.gz PSINCCGPXIBBHV-KSSFIOAISA-N 1 0 324.424 4.377 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCc2ncccc21)c1ccccc1 ZINC000601279510 1045210241 /nfs/dbraw/zinc/21/02/41/1045210241.db2.gz YVHGYTYXEXYFIV-AZUAARDMSA-N 1 0 305.425 4.484 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000601305034 1045214050 /nfs/dbraw/zinc/21/40/50/1045214050.db2.gz RAGDMGHQPZGCGY-MLGOLLRUSA-N 1 0 321.380 4.207 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925030285 1045220851 /nfs/dbraw/zinc/22/08/51/1045220851.db2.gz VYIYLLWBHDLTBM-HNNXBMFYSA-N 1 0 311.429 4.024 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccncc1 ZINC000925073090 1045221734 /nfs/dbraw/zinc/22/17/34/1045221734.db2.gz AAEXLBYCCQDMRI-KXBFYZLASA-N 1 0 310.441 4.277 20 30 DIEDRO C[C@@H](NC(C)(C)C[NH2+][C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000925057765 1045222074 /nfs/dbraw/zinc/22/20/74/1045222074.db2.gz MAHPFEXQSSVGHC-JKSUJKDBSA-N 1 0 301.478 4.034 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)N[C@H](C)c1ccccc1 ZINC000925057763 1045222422 /nfs/dbraw/zinc/22/24/22/1045222422.db2.gz MAHPFEXQSSVGHC-HZPDHXFCSA-N 1 0 301.478 4.034 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000925136433 1045229578 /nfs/dbraw/zinc/22/95/78/1045229578.db2.gz OSTUPTGMXZOYAB-INMHGKMJSA-N 1 0 319.518 4.049 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000578492369 1045248513 /nfs/dbraw/zinc/24/85/13/1045248513.db2.gz KGDNVYUGQLJRIC-HUUCEWRRSA-N 1 0 305.462 4.278 20 30 DIEDRO COc1cccc(C(C)(C)C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000578684567 1045264586 /nfs/dbraw/zinc/26/45/86/1045264586.db2.gz LRSYLEIWKIWOQF-FQEVSTJZSA-N 1 0 320.436 4.122 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527898515 1045275518 /nfs/dbraw/zinc/27/55/18/1045275518.db2.gz ZAIKJSYVPPQHNF-MFGLSYLJSA-N 1 0 306.812 4.386 20 30 DIEDRO C=CCOc1ccccc1C[N@H+](CCC)CCc1ccccn1 ZINC000579122548 1045294149 /nfs/dbraw/zinc/29/41/49/1045294149.db2.gz JAJZCBHRAJULJU-UHFFFAOYSA-N 1 0 310.441 4.101 20 30 DIEDRO CC(C)c1[nH+]c(CNc2ccc(CC#N)cc2)c2ccccn21 ZINC000579503424 1045318540 /nfs/dbraw/zinc/31/85/40/1045318540.db2.gz RVDMHGLFRXEXPJ-UHFFFAOYSA-N 1 0 304.397 4.136 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000188025189 1045332911 /nfs/dbraw/zinc/33/29/11/1045332911.db2.gz NUJNARGQIYXSJF-YXJHDRRASA-N 1 0 323.864 4.020 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000075778802 1045339787 /nfs/dbraw/zinc/33/97/87/1045339787.db2.gz VXQZNGFIOXYNKN-INIZCTEOSA-N 1 0 316.351 4.401 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(OC(F)F)c1 ZINC000449083999 1045342307 /nfs/dbraw/zinc/34/23/07/1045342307.db2.gz WBTXPWOSUUFMMK-RFSCMCKOSA-N 1 0 308.372 4.411 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000189159661 1045343117 /nfs/dbraw/zinc/34/31/17/1045343117.db2.gz MONWSOJYNGTMMF-VQTJNVASSA-N 1 0 320.436 4.090 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000449080130 1045345629 /nfs/dbraw/zinc/34/56/29/1045345629.db2.gz SVTWKUMSXOALLZ-KRWDZBQOSA-N 1 0 314.473 4.034 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C#N)cc1 ZINC000449076120 1045345707 /nfs/dbraw/zinc/34/57/07/1045345707.db2.gz SMLCGGQRTLAEQK-MEBBXXQBSA-N 1 0 316.326 4.314 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCOc2cccc3ccccc32)CC1 ZINC000449091266 1045348112 /nfs/dbraw/zinc/34/81/12/1045348112.db2.gz PMZLXDNMXNJQIQ-UHFFFAOYSA-N 1 0 308.425 4.281 20 30 DIEDRO C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1cccc(Cl)c1 ZINC000449169681 1045353167 /nfs/dbraw/zinc/35/31/67/1045353167.db2.gz DNYWZHSLLJAEBJ-KTAKPFMOSA-N 1 0 306.837 4.169 20 30 DIEDRO C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1ccccc1Cl ZINC000449167803 1045353663 /nfs/dbraw/zinc/35/36/63/1045353663.db2.gz LCDMWDNBESHWPX-TUBUQKNSSA-N 1 0 306.837 4.169 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1cccc(C#N)c1 ZINC000449172051 1045354327 /nfs/dbraw/zinc/35/43/27/1045354327.db2.gz JGNHAQJHHHZRQK-BMIGLBTASA-N 1 0 316.326 4.314 20 30 DIEDRO CCOc1ccc(Cl)cc1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449207665 1045361210 /nfs/dbraw/zinc/36/12/10/1045361210.db2.gz CIVCPNVIFLCNDU-UHFFFAOYSA-N 1 0 320.864 4.343 20 30 DIEDRO COc1ccccc1[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccco1 ZINC000449226466 1045365233 /nfs/dbraw/zinc/36/52/33/1045365233.db2.gz XEZIYODLCLFBIK-YHDJDMAPSA-N 1 0 324.424 4.440 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000779198192 1045369332 /nfs/dbraw/zinc/36/93/32/1045369332.db2.gz SWLGXTLSTJMYFR-DLBZAZTESA-N 1 0 308.425 4.109 20 30 DIEDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+]C1CCC(C)(C#N)CC1)N(C)C ZINC000449268203 1045370362 /nfs/dbraw/zinc/37/03/62/1045370362.db2.gz FCOQNZJULWRIAL-PYXOFJJQSA-N 1 0 313.489 4.048 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000449266637 1045372361 /nfs/dbraw/zinc/37/23/61/1045372361.db2.gz WELBJYUDKIYQDY-KKUMJFAQSA-N 1 0 307.400 4.195 20 30 DIEDRO COCC1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000449342174 1045378388 /nfs/dbraw/zinc/37/83/88/1045378388.db2.gz ZOBUTRDVSNIHAX-NKELODKYSA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)ccc1C#N ZINC000449347389 1045378728 /nfs/dbraw/zinc/37/87/28/1045378728.db2.gz CFYCENHKPZOJNK-IBGZPJMESA-N 1 0 312.363 4.312 20 30 DIEDRO Clc1ccc(C#CC[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000528659439 1045392671 /nfs/dbraw/zinc/39/26/71/1045392671.db2.gz PLDODSZVMPLWGK-LJQANCHMSA-N 1 0 310.828 4.218 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000449445247 1045393412 /nfs/dbraw/zinc/39/34/12/1045393412.db2.gz GZVMNNQNFHBAJH-XEZPLFJOSA-N 1 0 310.363 4.481 20 30 DIEDRO CCCCCOc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000449445965 1045393684 /nfs/dbraw/zinc/39/36/84/1045393684.db2.gz MXMMOXKLUXDLQD-WMZOPIPTSA-N 1 0 300.446 4.428 20 30 DIEDRO COC[C@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000449480669 1045398508 /nfs/dbraw/zinc/39/85/08/1045398508.db2.gz PALLYGDPVMLSJR-ZLPCBKJTSA-N 1 0 320.864 4.132 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000449520375 1045406413 /nfs/dbraw/zinc/40/64/13/1045406413.db2.gz PDBOCIOWPDAUAV-NKRQLWMJSA-N 1 0 311.347 4.042 20 30 DIEDRO COc1cccc(C[C@H]2CCCCC[N@@H+]2CCCCC#N)c1 ZINC000528751024 1045409866 /nfs/dbraw/zinc/40/98/66/1045409866.db2.gz TZJPTBAQNNDORW-GOSISDBHSA-N 1 0 300.446 4.176 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000449548722 1045411744 /nfs/dbraw/zinc/41/17/44/1045411744.db2.gz QASNJVCOZZTHBJ-UXHICEINSA-N 1 0 323.436 4.185 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2cccc(C)c2)cc(OC)c1O ZINC000449770731 1045435230 /nfs/dbraw/zinc/43/52/30/1045435230.db2.gz DULFYPYMKCKBNU-HNNXBMFYSA-N 1 0 311.425 4.289 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000449773439 1045435533 /nfs/dbraw/zinc/43/55/33/1045435533.db2.gz NDDSRNWQLJYPSJ-UKRRQHHQSA-N 1 0 300.789 4.231 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccco2)cc1 ZINC000449780380 1045437684 /nfs/dbraw/zinc/43/76/84/1045437684.db2.gz VDGFFROYHUJJNP-OGWOLHLISA-N 1 0 310.397 4.050 20 30 DIEDRO C=CCC1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000450030751 1045459352 /nfs/dbraw/zinc/45/93/52/1045459352.db2.gz YJBPNIOZKRUXIH-UHFFFAOYSA-N 1 0 318.505 4.036 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000475666776 1045507010 /nfs/dbraw/zinc/50/70/10/1045507010.db2.gz DUVGPMJPGKYWIB-MQMHXKEQSA-N 1 0 302.830 4.309 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000529661815 1045510170 /nfs/dbraw/zinc/51/01/70/1045510170.db2.gz CKKUKHJXQXBRGH-FQEVSTJZSA-N 1 0 312.457 4.176 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](Cc2cnc(C)o2)C(C)(C)C)cc1 ZINC000628122262 1045524372 /nfs/dbraw/zinc/52/43/72/1045524372.db2.gz QGRMNWAVLVAIEU-UHFFFAOYSA-N 1 0 314.429 4.349 20 30 DIEDRO N#CC1(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)CCC1 ZINC000450596148 1045526286 /nfs/dbraw/zinc/52/62/86/1045526286.db2.gz SICTYJVTUWXHQK-UHFFFAOYSA-N 1 0 317.436 4.407 20 30 DIEDRO N#CCC[C@@H](C#N)CN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC001120661271 1045541594 /nfs/dbraw/zinc/54/15/94/1045541594.db2.gz ODTNZJLKKYSTGT-SUMWQHHRSA-N 1 0 313.401 4.010 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000796619453 1045549067 /nfs/dbraw/zinc/54/90/67/1045549067.db2.gz MZQGNKZLBJHBLU-OXJNMPFZSA-N 1 0 306.409 4.172 20 30 DIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccccc2C#N)cc1 ZINC000475667698 1045552783 /nfs/dbraw/zinc/55/27/83/1045552783.db2.gz CMHGAJDKPJTTAF-UHFFFAOYSA-N 1 0 308.425 4.372 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCCc1cc(CC)no1)c1ccc(F)c(F)c1 ZINC000450779540 1045567322 /nfs/dbraw/zinc/56/73/22/1045567322.db2.gz OXIYRICFMCYQJV-GOSISDBHSA-N 1 0 320.383 4.355 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCCc1cc(CC)no1)c1ccc(F)c(F)c1 ZINC000450779541 1045567938 /nfs/dbraw/zinc/56/79/38/1045567938.db2.gz OXIYRICFMCYQJV-SFHVURJKSA-N 1 0 320.383 4.355 20 30 DIEDRO CCCC[N@@H+]1Cc2ccc(N=Cc3c(O)cccc3OC)cc2C1 ZINC000750950385 1045573029 /nfs/dbraw/zinc/57/30/29/1045573029.db2.gz UFSSRDZYYUYECN-UHFFFAOYSA-N 1 0 324.424 4.267 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000628405955 1045577796 /nfs/dbraw/zinc/57/77/96/1045577796.db2.gz YLNZGWWAZVSSAJ-QGZVFWFLSA-N 1 0 308.425 4.059 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2ccn(CC(F)(F)F)n2)CCCC1(C)C ZINC000450863117 1045581040 /nfs/dbraw/zinc/58/10/40/1045581040.db2.gz GJECVFHKGVHFRY-CQSZACIVSA-N 1 0 315.383 4.012 20 30 DIEDRO C#Cc1cccc(NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)c1 ZINC000751072059 1045581310 /nfs/dbraw/zinc/58/13/10/1045581310.db2.gz JWDHBWFSDIZOBT-UHFFFAOYSA-N 1 0 320.436 4.151 20 30 DIEDRO N#Cc1cc(NC2CC[NH+](C3CCC3)CC2)ccc1C(F)(F)F ZINC000450877407 1045588970 /nfs/dbraw/zinc/58/89/70/1045588970.db2.gz KXUNAGDHZLUGCI-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO N#Cc1ccc(NC2CC[NH+](C3CCC3)CC2)cc1C(F)(F)F ZINC000450876370 1045589091 /nfs/dbraw/zinc/58/90/91/1045589091.db2.gz PJVVXCPRDOQYRX-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1cccc(C#N)c1 ZINC000190826270 1045616067 /nfs/dbraw/zinc/61/60/67/1045616067.db2.gz UEAKYFLWSXQMBW-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)c(F)c1 ZINC000800495175 1045632413 /nfs/dbraw/zinc/63/24/13/1045632413.db2.gz KQRIKUNCJJXSBO-GTNSWQLSSA-N 1 0 314.791 4.169 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000190949689 1045633778 /nfs/dbraw/zinc/63/37/78/1045633778.db2.gz IYOOAKHNXGEHEN-UHFFFAOYSA-N 1 0 322.305 4.314 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000190963059 1045635657 /nfs/dbraw/zinc/63/56/57/1045635657.db2.gz LUMZLIOSHRZNRK-LAUBAEHRSA-N 1 0 320.436 4.067 20 30 DIEDRO C=C1CCC(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000897363464 1045636464 /nfs/dbraw/zinc/63/64/64/1045636464.db2.gz MKIHVVGMEIWTOQ-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO CC[N@H+](C[C@H]1CCC2(CCCC2)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000530366442 1045652596 /nfs/dbraw/zinc/65/25/96/1045652596.db2.gz GTCQLOROFQABSD-VQIMIIECSA-N 1 0 312.457 4.433 20 30 DIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000629202207 1045654413 /nfs/dbraw/zinc/65/44/13/1045654413.db2.gz SVHZVJOGLRFSQO-DLBZAZTESA-N 1 0 322.452 4.080 20 30 DIEDRO C=CCCC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451297041 1045660605 /nfs/dbraw/zinc/66/06/05/1045660605.db2.gz RHBQAYZFVTWZDK-UHFFFAOYSA-N 1 0 304.381 4.308 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000800896117 1045664320 /nfs/dbraw/zinc/66/43/20/1045664320.db2.gz ZDKFATXNJBBRHZ-CHWSQXEVSA-N 1 0 316.754 4.422 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccnc(Cl)c1 ZINC000800990858 1045677741 /nfs/dbraw/zinc/67/77/41/1045677741.db2.gz TVYWUKUMYYQYDJ-JTQLQIEISA-N 1 0 306.196 4.111 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(O)c1C ZINC000800991133 1045678269 /nfs/dbraw/zinc/67/82/69/1045678269.db2.gz YISZUFDCDBXJRC-ZDUSSCGKSA-N 1 0 314.816 4.385 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(C2CCCCC2)n1 ZINC000451676312 1045710094 /nfs/dbraw/zinc/71/00/94/1045710094.db2.gz SGXCYZJBAAEOEK-CVEARBPZSA-N 1 0 306.475 4.014 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000191683418 1045746988 /nfs/dbraw/zinc/74/69/88/1045746988.db2.gz LDCQFRWAEJCSCY-OAHLLOKOSA-N 1 0 306.409 4.145 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccncc1 ZINC000753371004 1045749206 /nfs/dbraw/zinc/74/92/06/1045749206.db2.gz JTNGMIZIQWVAHT-QGZVFWFLSA-N 1 0 322.437 4.007 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccc(F)cc3C#N)C2)c1 ZINC000452011443 1045757298 /nfs/dbraw/zinc/75/72/98/1045757298.db2.gz DCLMPJQFPMSSMG-RUCARUNLSA-N 1 0 324.399 4.084 20 30 DIEDRO COc1ccc(C2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)cc1 ZINC000753550052 1045761644 /nfs/dbraw/zinc/76/16/44/1045761644.db2.gz FKDVCWOXEHJPEX-UHFFFAOYSA-N 1 0 320.436 4.383 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1F ZINC000192100992 1045779964 /nfs/dbraw/zinc/77/99/64/1045779964.db2.gz MXFQFPJUBARJAO-IBGZPJMESA-N 1 0 312.363 4.467 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(OC(F)F)cc1 ZINC000192150578 1045786117 /nfs/dbraw/zinc/78/61/17/1045786117.db2.gz TZTCPRBBWKNHAB-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000753680238 1045788745 /nfs/dbraw/zinc/78/87/45/1045788745.db2.gz ZHSUUJGEEOHQPB-LORHWOILSA-N 1 0 300.446 4.282 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCc2c1c(F)ccc2F)c1ccncc1 ZINC000753857716 1045812472 /nfs/dbraw/zinc/81/24/72/1045812472.db2.gz ICTLEIHYUZHTBB-DLBZAZTESA-N 1 0 300.352 4.254 20 30 DIEDRO C[C@H](C#N)C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CC1 ZINC000753988508 1045827632 /nfs/dbraw/zinc/82/76/32/1045827632.db2.gz QXDMWSURKKJUCA-CYBMUJFWSA-N 1 0 324.424 4.141 20 30 DIEDRO C[C@H](C#N)OCC[N@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000801916402 1045837883 /nfs/dbraw/zinc/83/78/83/1045837883.db2.gz XJMSLIONZXVETH-CVEARBPZSA-N 1 0 314.454 4.240 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000801929891 1045848048 /nfs/dbraw/zinc/84/80/48/1045848048.db2.gz XPWLIRPWDMRLBK-RXVVDRJESA-N 1 0 322.452 4.269 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(C(C)(C)C)cc1 ZINC000801928952 1045848673 /nfs/dbraw/zinc/84/86/73/1045848673.db2.gz CJICBANWGRXTBQ-MAUKXSAKSA-N 1 0 302.462 4.199 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1ccccc1Oc1ccccc1 ZINC000801938149 1045853044 /nfs/dbraw/zinc/85/30/44/1045853044.db2.gz ZEQABXDWUDHEKX-HOTGVXAUSA-N 1 0 310.397 4.058 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000801940353 1045853540 /nfs/dbraw/zinc/85/35/40/1045853540.db2.gz WDJNHTIWNDIHJU-DYVFJYSZSA-N 1 0 306.837 4.090 20 30 DIEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(Oc2ccccc2)cc1 ZINC000801937767 1045853628 /nfs/dbraw/zinc/85/36/28/1045853628.db2.gz VZXWASBJPINVAJ-JKSUJKDBSA-N 1 0 310.397 4.058 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000801940356 1045853659 /nfs/dbraw/zinc/85/36/59/1045853659.db2.gz WDJNHTIWNDIHJU-SUMWQHHRSA-N 1 0 306.837 4.090 20 30 DIEDRO N#Cc1csc(C[NH2+]CCCOc2ccc3ccccc3c2)c1 ZINC000531629557 1045883531 /nfs/dbraw/zinc/88/35/31/1045883531.db2.gz AKYCNGZHQABSDE-UHFFFAOYSA-N 1 0 322.433 4.332 20 30 DIEDRO CC(C)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC001137639100 1045913213 /nfs/dbraw/zinc/91/32/13/1045913213.db2.gz LIEDFQLJUAKNEY-UHFFFAOYSA-N 1 0 321.262 4.189 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1Br ZINC001137632906 1045913661 /nfs/dbraw/zinc/91/36/61/1045913661.db2.gz PZQGIXYEEQJCBT-TXEJJXNPSA-N 1 0 307.235 4.084 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000754798338 1045926863 /nfs/dbraw/zinc/92/68/63/1045926863.db2.gz MNISZRWZUUSMJA-NWDGAFQWSA-N 1 0 305.809 4.395 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)c(C#N)c1 ZINC001137699677 1045937703 /nfs/dbraw/zinc/93/77/03/1045937703.db2.gz PPTIJPAVFIECBX-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO CCCCCCCCC[C@@H](C)OCCC[NH+]1CCN(C)CC1 ZINC001206596691 1045940635 /nfs/dbraw/zinc/94/06/35/1045940635.db2.gz QBAUHXKZFWBEAQ-LJQANCHMSA-N 1 0 312.542 4.170 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c(C#N)c1 ZINC001137704921 1045940688 /nfs/dbraw/zinc/94/06/88/1045940688.db2.gz ZNNLAWZNRVWUAV-SFHVURJKSA-N 1 0 320.436 4.337 20 30 DIEDRO CCCCCCCCCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000755250984 1045966964 /nfs/dbraw/zinc/96/69/64/1045966964.db2.gz PUFQYTCTEYZCJX-ZWKOTPCHSA-N 1 0 323.525 4.053 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000453181190 1045967863 /nfs/dbraw/zinc/96/78/63/1045967863.db2.gz WEEKCHIIYJMQQF-FXAWDEMLSA-N 1 0 307.441 4.427 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccc(C#N)cc1F ZINC000453195092 1045978095 /nfs/dbraw/zinc/97/80/95/1045978095.db2.gz OWEGCSXBAMMQEE-LSDHHAIUSA-N 1 0 311.404 4.154 20 30 DIEDRO Cc1cccc(C)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001137846748 1045983442 /nfs/dbraw/zinc/98/34/42/1045983442.db2.gz SZOMHIPEBVHVEV-UHFFFAOYSA-N 1 0 304.437 4.361 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3c(F)cc(F)cc31)CC2 ZINC000453236457 1045998943 /nfs/dbraw/zinc/99/89/43/1045998943.db2.gz NSVIEHSGOHHYSG-WOJBJXKFSA-N 1 0 324.374 4.491 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CC(C)(C)C2)cc1 ZINC001137898113 1046004030 /nfs/dbraw/zinc/00/40/30/1046004030.db2.gz FPOCLIOVOBRHKD-UHFFFAOYSA-N 1 0 305.425 4.168 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000453291667 1046018880 /nfs/dbraw/zinc/01/88/80/1046018880.db2.gz MUXUJSZYYZNNSX-DUVNUKRYSA-N 1 0 304.821 4.226 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)cc1C#N ZINC000080339734 1046025699 /nfs/dbraw/zinc/02/56/99/1046025699.db2.gz CPIJDKQBFFQBHV-ZUOKHONESA-N 1 0 324.399 4.119 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1 ZINC000902720978 1046049758 /nfs/dbraw/zinc/04/97/58/1046049758.db2.gz RSJPZQLDZCMBPG-RBUKOAKNSA-N 1 0 323.440 4.029 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc2c(c1)CCCC2 ZINC000902728264 1046052455 /nfs/dbraw/zinc/05/24/55/1046052455.db2.gz OZHUOFGPNHRZLS-CABCVRRESA-N 1 0 305.425 4.244 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccc2c(c1)CCCC2 ZINC000902728266 1046052739 /nfs/dbraw/zinc/05/27/39/1046052739.db2.gz OZHUOFGPNHRZLS-HUUCEWRRSA-N 1 0 305.425 4.244 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1cccc(C#N)c1 ZINC000902728187 1046053000 /nfs/dbraw/zinc/05/30/00/1046053000.db2.gz NDWZBYYJEPRRJN-AUUYWEPGSA-N 1 0 324.424 4.377 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000902735634 1046054272 /nfs/dbraw/zinc/05/42/72/1046054272.db2.gz GZOLQGWGVNTLEH-CXAGYDPISA-N 1 0 308.381 4.089 20 30 DIEDRO C[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)c1cc(C#N)ccn1 ZINC000902769165 1046068011 /nfs/dbraw/zinc/06/80/11/1046068011.db2.gz UVTUMMAMHGAMPK-LLVKDONJSA-N 1 0 320.223 4.153 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1F ZINC000453372573 1046070100 /nfs/dbraw/zinc/07/01/00/1046070100.db2.gz GOQYYCQFYAQOTN-GOSISDBHSA-N 1 0 322.383 4.233 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(Cc3ccc(F)cc3)CC1)CC2 ZINC000453373220 1046070470 /nfs/dbraw/zinc/07/04/70/1046070470.db2.gz WYZCFEWNAGFANM-IBGZPJMESA-N 1 0 306.384 4.050 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)c1ccncc1 ZINC000902805597 1046073949 /nfs/dbraw/zinc/07/39/49/1046073949.db2.gz CNTAGJABRXCCGD-ZCNNSNEGSA-N 1 0 314.473 4.274 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902808305 1046074956 /nfs/dbraw/zinc/07/49/56/1046074956.db2.gz ICFSZSGAYYLTEG-ZYSHUDEJSA-N 1 0 305.425 4.015 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000453378208 1046075900 /nfs/dbraw/zinc/07/59/00/1046075900.db2.gz YTEGGTFJCJCFQG-ZNMIVQPWSA-N 1 0 311.372 4.062 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902823813 1046079308 /nfs/dbraw/zinc/07/93/08/1046079308.db2.gz AECTZNGXHYIIBJ-KDOFPFPSSA-N 1 0 311.404 4.010 20 30 DIEDRO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000902826556 1046080683 /nfs/dbraw/zinc/08/06/83/1046080683.db2.gz FNOIJSGBZHJUML-CABCVRRESA-N 1 0 322.408 4.065 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)c1cccc(C#N)c1 ZINC000902826649 1046080943 /nfs/dbraw/zinc/08/09/43/1046080943.db2.gz HGPWPPXRUWTYIM-YSSFQJQWSA-N 1 0 312.457 4.194 20 30 DIEDRO CC[C@H]([NH2+]CCc1nc2c(cccc2C)o1)c1cccc(C#N)c1 ZINC000902826170 1046081027 /nfs/dbraw/zinc/08/10/27/1046081027.db2.gz DAUXRNRXFUYASE-KRWDZBQOSA-N 1 0 319.408 4.291 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2OC)c1cccc(C#N)c1 ZINC000902842537 1046085477 /nfs/dbraw/zinc/08/54/77/1046085477.db2.gz XDXXYAHSKWGELW-RTBURBONSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000902860303 1046090215 /nfs/dbraw/zinc/09/02/15/1046090215.db2.gz REUCMXPZKDNEEH-ZWKOTPCHSA-N 1 0 310.372 4.262 20 30 DIEDRO CCOc1cccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001138100314 1046091187 /nfs/dbraw/zinc/09/11/87/1046091187.db2.gz MXHQPPFGDWQUPA-UHFFFAOYSA-N 1 0 320.436 4.337 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C)c1c(C)noc1C)[C@]1(C)CCCCO1 ZINC000902887195 1046101857 /nfs/dbraw/zinc/10/18/57/1046101857.db2.gz ZVFOROKYPWKEHZ-FNHZYXHNSA-N 1 0 320.477 4.279 20 30 DIEDRO Cc1cc(O)c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C ZINC000194653328 1046103222 /nfs/dbraw/zinc/10/32/22/1046103222.db2.gz UBEFWEYAUPDDOT-UHFFFAOYSA-N 1 0 306.409 4.045 20 30 DIEDRO CC[N@@H+](c1ccc(N[C@@H](C)c2cc(C#N)ccn2)cc1)C(C)C ZINC000902899123 1046104751 /nfs/dbraw/zinc/10/47/51/1046104751.db2.gz DQBADYMEALNGHK-HNNXBMFYSA-N 1 0 308.429 4.361 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001256213935 1046107629 /nfs/dbraw/zinc/10/76/29/1046107629.db2.gz DVJJZHSPFGHYIV-WFASDCNBSA-N 1 0 309.251 4.052 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756613142 1046110693 /nfs/dbraw/zinc/11/06/93/1046110693.db2.gz YAHUXOKAKKCXMX-HUUCEWRRSA-N 1 0 324.415 4.201 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756613140 1046110935 /nfs/dbraw/zinc/11/09/35/1046110935.db2.gz YAHUXOKAKKCXMX-CABCVRRESA-N 1 0 324.415 4.201 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(C#N)ccn1 ZINC000902941547 1046118287 /nfs/dbraw/zinc/11/82/87/1046118287.db2.gz ALHVCVFLMNOCNF-LIRRHRJNSA-N 1 0 321.399 4.379 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2cn(C(C)C)nc21)c1cccc(C#N)c1 ZINC000902953422 1046125106 /nfs/dbraw/zinc/12/51/06/1046125106.db2.gz DTHQALKKNZSARF-OALUTQOASA-N 1 0 322.456 4.454 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cccc(C#N)c1 ZINC000902958125 1046126578 /nfs/dbraw/zinc/12/65/78/1046126578.db2.gz NWKCHEQLKAUYTC-LJQANCHMSA-N 1 0 308.425 4.027 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)cc1C#N ZINC000756760989 1046128280 /nfs/dbraw/zinc/12/82/80/1046128280.db2.gz POJLVBFVCLOYFG-LJQANCHMSA-N 1 0 310.397 4.099 20 30 DIEDRO CCSc1cc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)ccn1 ZINC000902964874 1046130164 /nfs/dbraw/zinc/13/01/64/1046130164.db2.gz ZVRFGBDJRKXHJM-KRWDZBQOSA-N 1 0 311.454 4.306 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cccc(C#N)c1 ZINC000902973033 1046134480 /nfs/dbraw/zinc/13/44/80/1046134480.db2.gz NHPODKDZWYRMFQ-LJQANCHMSA-N 1 0 305.425 4.073 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000902977180 1046135069 /nfs/dbraw/zinc/13/50/69/1046135069.db2.gz WSQRCOMEOFIMOD-WOJBJXKFSA-N 1 0 301.393 4.158 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000194128825 1046137594 /nfs/dbraw/zinc/13/75/94/1046137594.db2.gz ZOPCLCLGPIEJBH-INIZCTEOSA-N 1 0 308.425 4.217 20 30 DIEDRO N#CC1(C[NH2+][C@H](CCc2cccnc2)c2ccccc2)CCC1 ZINC000903035607 1046144897 /nfs/dbraw/zinc/14/48/97/1046144897.db2.gz RWUVUCXXODNALU-LJQANCHMSA-N 1 0 305.425 4.039 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CCc2ccccc2)c2cccnc2)C1 ZINC000903026155 1046145320 /nfs/dbraw/zinc/14/53/20/1046145320.db2.gz MRDJPRFAHNOQBZ-HOJAQTOUSA-N 1 0 305.425 4.037 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2ccccc2OC)CC1)c1cccc(C#N)c1 ZINC000903038589 1046146948 /nfs/dbraw/zinc/14/69/48/1046146948.db2.gz YZHGFNKGUXQJEZ-GOSISDBHSA-N 1 0 306.409 4.297 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CCCCC1 ZINC000903053974 1046148854 /nfs/dbraw/zinc/14/88/54/1046148854.db2.gz SYKTZBOORJPNBF-MSOLQXFVSA-N 1 0 304.478 4.035 20 30 DIEDRO C#CC[N@H+](Cc1ccc(OCc2cccnc2)cc1)C1CCCC1 ZINC000756910784 1046150655 /nfs/dbraw/zinc/15/06/55/1046150655.db2.gz APOSQZFKQWRIKT-UHFFFAOYSA-N 1 0 320.436 4.038 20 30 DIEDRO C=CC[NH+](CC=C)Cc1c[nH]c2ccc(Br)cc12 ZINC001138320120 1046151608 /nfs/dbraw/zinc/15/16/08/1046151608.db2.gz RCCVJSWUEXYPPL-UHFFFAOYSA-N 1 0 305.219 4.104 20 30 DIEDRO C[N@H+](Cc1ccncc1)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138335377 1046153308 /nfs/dbraw/zinc/15/33/08/1046153308.db2.gz ORSBTHKPCJPCNH-UHFFFAOYSA-N 1 0 312.416 4.113 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336768 1046153580 /nfs/dbraw/zinc/15/35/80/1046153580.db2.gz YRLDAZUYQXXTPV-UHFFFAOYSA-N 1 0 314.432 4.212 20 30 DIEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)[C@H](C)C1 ZINC001138336043 1046153874 /nfs/dbraw/zinc/15/38/74/1046153874.db2.gz IMJUPWFRTDMTHK-GCJKJVERSA-N 1 0 319.448 4.086 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(C#N)c1 ZINC000903077528 1046156123 /nfs/dbraw/zinc/15/61/23/1046156123.db2.gz KYPJZMVSLNXFDR-MLGOLLRUSA-N 1 0 321.380 4.207 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccccc1 ZINC000756994988 1046157116 /nfs/dbraw/zinc/15/71/16/1046157116.db2.gz AWQQNYSFVWLQHN-OAQYLSRUSA-N 1 0 315.420 4.035 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccccc1 ZINC000756994987 1046157358 /nfs/dbraw/zinc/15/73/58/1046157358.db2.gz AWQQNYSFVWLQHN-NRFANRHFSA-N 1 0 315.420 4.035 20 30 DIEDRO CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000903078515 1046157554 /nfs/dbraw/zinc/15/75/54/1046157554.db2.gz ICFXXWWFVXBLII-GJZGRUSLSA-N 1 0 322.408 4.033 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OCCC)c(OC)c1)c1ccccc1 ZINC000756995537 1046157671 /nfs/dbraw/zinc/15/76/71/1046157671.db2.gz IRERTCISOPBGIX-IBGZPJMESA-N 1 0 323.436 4.338 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1 ZINC000756997786 1046158336 /nfs/dbraw/zinc/15/83/36/1046158336.db2.gz NEXUNSXJBYJQML-QGZVFWFLSA-N 1 0 301.336 4.142 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1ccccc1 ZINC000756997855 1046159580 /nfs/dbraw/zinc/15/95/80/1046159580.db2.gz OSPLBVGWOKUESH-OAQYLSRUSA-N 1 0 306.453 4.387 20 30 DIEDRO COc1cccc(F)c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001138385776 1046162523 /nfs/dbraw/zinc/16/25/23/1046162523.db2.gz CDJIGRJLQIIFBG-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1ccncc1 ZINC000903097236 1046163314 /nfs/dbraw/zinc/16/33/14/1046163314.db2.gz DEVODTLMAFGYAP-HNAYVOBHSA-N 1 0 310.445 4.046 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1cccc(C#N)c1 ZINC000903095976 1046163850 /nfs/dbraw/zinc/16/38/50/1046163850.db2.gz ZNELLTMLVKNEAL-GOSISDBHSA-N 1 0 321.449 4.393 20 30 DIEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc(-c2ccncc2)c1 ZINC000903109233 1046168293 /nfs/dbraw/zinc/16/82/93/1046168293.db2.gz LEXCTAKQVCFQKN-INIZCTEOSA-N 1 0 305.425 4.483 20 30 DIEDRO COc1ccc(CCC2CC[NH+](CCCCC#N)CC2)cc1 ZINC000102396719 1046170028 /nfs/dbraw/zinc/17/00/28/1046170028.db2.gz BEVACTRSFMPGLY-UHFFFAOYSA-N 1 0 300.446 4.034 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1nnc(C)s1)c1cccc(Cl)c1 ZINC000903173481 1046182521 /nfs/dbraw/zinc/18/25/21/1046182521.db2.gz ZMKKNYWBVXDCNP-HNNXBMFYSA-N 1 0 321.877 4.340 20 30 DIEDRO COc1ccc2c(c1Cl)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCC2 ZINC000903179423 1046184686 /nfs/dbraw/zinc/18/46/86/1046184686.db2.gz PXGKVHVRAIKODS-AEGPPILISA-N 1 0 318.848 4.398 20 30 DIEDRO CC[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1cccc(C#N)c1 ZINC000903182784 1046184730 /nfs/dbraw/zinc/18/47/30/1046184730.db2.gz UVVVDKVPTVDOCS-LJQANCHMSA-N 1 0 305.425 4.073 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccncc1NC(=O)C(C)(C)C ZINC001138457248 1046188767 /nfs/dbraw/zinc/18/87/67/1046188767.db2.gz OKJHVXPMURLUQO-UHFFFAOYSA-N 1 0 319.493 4.468 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903216543 1046196398 /nfs/dbraw/zinc/19/63/98/1046196398.db2.gz CVZKWMARGSVOMB-KNBMTAEXSA-N 1 0 315.432 4.075 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C)c2ccccc12 ZINC001202833775 1046199918 /nfs/dbraw/zinc/19/99/18/1046199918.db2.gz RVSUSSDCTJSAMG-UHFFFAOYSA-N 1 0 315.416 4.450 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1C ZINC000903235256 1046202279 /nfs/dbraw/zinc/20/22/79/1046202279.db2.gz WNFRDYWUBXYRPA-ZIAGYGMSSA-N 1 0 312.388 4.426 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCO2)c1cccc(C#N)c1 ZINC000903234331 1046202597 /nfs/dbraw/zinc/20/25/97/1046202597.db2.gz MURPFONKCJSYPL-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000757703169 1046202780 /nfs/dbraw/zinc/20/27/80/1046202780.db2.gz GCZUZNWEWLHQLA-GOSISDBHSA-N 1 0 304.393 4.094 20 30 DIEDRO C=CC[N@@H+](Cc1c(C)nn(Cc2ccccc2)c1C)C(C)(C)C ZINC001138507711 1046204505 /nfs/dbraw/zinc/20/45/05/1046204505.db2.gz JAVREJOUNOFRNR-UHFFFAOYSA-N 1 0 311.473 4.335 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1C#N ZINC000087822491 1046210565 /nfs/dbraw/zinc/21/05/65/1046210565.db2.gz HZSKHZHWJGKSEX-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001168159682 1046211728 /nfs/dbraw/zinc/21/17/28/1046211728.db2.gz SEUDNHIPSLIHQP-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]Cc1nc(C#N)cs1)C1CCCC1 ZINC000903262884 1046213933 /nfs/dbraw/zinc/21/39/33/1046213933.db2.gz IKZOWLNGICJVKJ-SFHVURJKSA-N 1 0 311.454 4.344 20 30 DIEDRO N#C[C@H]1CC=C(Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC001212868052 1046224429 /nfs/dbraw/zinc/22/44/29/1046224429.db2.gz HVSKJRIDXPPXDN-SFHVURJKSA-N 1 0 309.457 4.334 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001307507035 1046224852 /nfs/dbraw/zinc/22/48/52/1046224852.db2.gz RDFRXDCUIOWHDA-HNNXBMFYSA-N 1 0 321.262 4.331 20 30 DIEDRO C=CC[N@H+](Cc1cncn1Cc1ccccc1)C1CCCCC1 ZINC001138565564 1046227915 /nfs/dbraw/zinc/22/79/15/1046227915.db2.gz RJTURJRRCQTCJA-UHFFFAOYSA-N 1 0 309.457 4.252 20 30 DIEDRO C=CCc1cccc(C[N@@H+](CC(=O)c2ccccc2)C(C)C)c1O ZINC001138627635 1046245872 /nfs/dbraw/zinc/24/58/72/1046245872.db2.gz CZXHTHASDMXNPM-UHFFFAOYSA-N 1 0 323.436 4.214 20 30 DIEDRO C=CCc1cccc(C[NH+]2CCC(Oc3ccccc3)CC2)c1O ZINC001138624278 1046245944 /nfs/dbraw/zinc/24/59/44/1046245944.db2.gz ATSBNZXJFDVNKF-UHFFFAOYSA-N 1 0 323.436 4.164 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c1O ZINC001138625180 1046246274 /nfs/dbraw/zinc/24/62/74/1046246274.db2.gz GCYJOVHIOVSEDA-QGZVFWFLSA-N 1 0 323.436 4.119 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001138662892 1046259045 /nfs/dbraw/zinc/25/90/45/1046259045.db2.gz GSCZYVJEPRWPRT-MRXNPFEDSA-N 1 0 313.363 4.211 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001138664125 1046259770 /nfs/dbraw/zinc/25/97/70/1046259770.db2.gz JLGXADSRTKPQFA-SFHVURJKSA-N 1 0 308.425 4.026 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+](CCC)CCc1ccccn1 ZINC001138665265 1046260059 /nfs/dbraw/zinc/26/00/59/1046260059.db2.gz KKLYJAPYJJRWNG-UHFFFAOYSA-N 1 0 324.468 4.491 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001138664639 1046260972 /nfs/dbraw/zinc/26/09/72/1046260972.db2.gz SRHRUJFHHVDFLK-SFHVURJKSA-N 1 0 308.425 4.026 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+](C(C)C)C1CCOCC1 ZINC001138666072 1046261028 /nfs/dbraw/zinc/26/10/28/1046261028.db2.gz HOSAPNVWUDMOHN-UHFFFAOYSA-N 1 0 303.446 4.031 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000245714011 1046261792 /nfs/dbraw/zinc/26/17/92/1046261792.db2.gz GNNRQJIUXNJJEI-YRNRMSPPSA-N 1 0 306.409 4.170 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)cc1 ZINC000245718279 1046262672 /nfs/dbraw/zinc/26/26/72/1046262672.db2.gz HMLQTPBKZKFWDP-SQGPQFPESA-N 1 0 320.436 4.355 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C)cc1 ZINC000245803185 1046270813 /nfs/dbraw/zinc/27/08/13/1046270813.db2.gz YCWQFSZKCALWQU-CVEARBPZSA-N 1 0 306.409 4.097 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)cc1C#N ZINC000758639964 1046283416 /nfs/dbraw/zinc/28/34/16/1046283416.db2.gz MIIARKVBQVNOMQ-HXUWFJFHSA-N 1 0 324.399 4.255 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](CC(C)C)OC)cc1Cl ZINC001202860333 1046284057 /nfs/dbraw/zinc/28/40/57/1046284057.db2.gz PZXKKVQAXQUTRM-HNNXBMFYSA-N 1 0 311.853 4.056 20 30 DIEDRO Cc1ccc(C(=O)C2CC[NH+](C[C@H](C)CCC#N)CC2)c(C)c1 ZINC000637943523 1046286467 /nfs/dbraw/zinc/28/64/67/1046286467.db2.gz GDAOXXSXRYITHP-MRXNPFEDSA-N 1 0 312.457 4.138 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000089553887 1046290157 /nfs/dbraw/zinc/29/01/57/1046290157.db2.gz WOWXTPVLPFGPQG-GJZGRUSLSA-N 1 0 301.352 4.073 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)C2CCCC2)ccc1OC ZINC000089632024 1046294913 /nfs/dbraw/zinc/29/49/13/1046294913.db2.gz RYQVVRROKJGONL-RHSMWYFYSA-N 1 0 316.445 4.044 20 30 DIEDRO C=CC[N@@H+](Cc1cnc(N(CC)CC)s1)C1CCCCC1 ZINC001138803539 1046297286 /nfs/dbraw/zinc/29/72/86/1046297286.db2.gz SMQPGQZNZAJZRC-UHFFFAOYSA-N 1 0 307.507 4.310 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cnc2ccccc2n1 ZINC001138866959 1046316189 /nfs/dbraw/zinc/31/61/89/1046316189.db2.gz ZWYGCNCGMBAHCI-UHFFFAOYSA-N 1 0 303.409 4.208 20 30 DIEDRO CC(=[NH+]N[C@H](C)c1ccccc1)c1ccc(N2CCCC2)cc1O ZINC000748249401 1046358303 /nfs/dbraw/zinc/35/83/03/1046358303.db2.gz XZPXWZFETULXNZ-OAHLLOKOSA-N 1 0 323.440 4.067 20 30 DIEDRO CC(=[NH+]N[C@@H](C)c1ccccc1)c1ccc(N2CCCC2)cc1O ZINC000748249399 1046359295 /nfs/dbraw/zinc/35/92/95/1046359295.db2.gz XZPXWZFETULXNZ-HNNXBMFYSA-N 1 0 323.440 4.067 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001139030414 1046363761 /nfs/dbraw/zinc/36/37/61/1046363761.db2.gz MOUWWXLVMYWQAH-KRWDZBQOSA-N 1 0 303.421 4.356 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000090398902 1046364398 /nfs/dbraw/zinc/36/43/98/1046364398.db2.gz MZKGZAZYXDFPMK-GFCCVEGCSA-N 1 0 313.413 4.464 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001139030364 1046365504 /nfs/dbraw/zinc/36/55/04/1046365504.db2.gz KZBAKSQOOMINLG-UHFFFAOYSA-N 1 0 322.452 4.101 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)[C@H]1CC1(F)F ZINC000639181000 1046366254 /nfs/dbraw/zinc/36/62/54/1046366254.db2.gz LZFQXTFGAFAJIM-HZGVNTEJSA-N 1 0 315.232 4.117 20 30 DIEDRO COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001139070638 1046380350 /nfs/dbraw/zinc/38/03/50/1046380350.db2.gz PWPKDCOPZZQTEO-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(SC)c(OC)c1 ZINC000796641241 1046381386 /nfs/dbraw/zinc/38/13/86/1046381386.db2.gz NPCLYTDEDFKELX-UHFFFAOYSA-N 1 0 311.450 4.053 20 30 DIEDRO C=CCCCCN(C)Cc1ccc(Br)nc1Cl ZINC001139114978 1046389541 /nfs/dbraw/zinc/38/95/41/1046389541.db2.gz ZCEGVPNGBXBFPN-UHFFFAOYSA-N 1 0 317.658 4.286 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)s2)nc1 ZINC000780556206 1046393839 /nfs/dbraw/zinc/39/38/39/1046393839.db2.gz UVNQJXIHRXJHEN-UHFFFAOYSA-N 1 0 323.396 4.111 20 30 DIEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780727601 1046400735 /nfs/dbraw/zinc/40/07/35/1046400735.db2.gz DAMFXBFMDBISFN-LSDHHAIUSA-N 1 0 322.836 4.039 20 30 DIEDRO C=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000748819242 1046407165 /nfs/dbraw/zinc/40/71/65/1046407165.db2.gz BSZHDNXBWPFNIA-UHFFFAOYSA-N 1 0 302.761 4.051 20 30 DIEDRO N#CCC1C[NH+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001139198188 1046409100 /nfs/dbraw/zinc/40/91/00/1046409100.db2.gz JOPJFEONUIKTGO-UHFFFAOYSA-N 1 0 301.393 4.180 20 30 DIEDRO N#C[C@H]1CC[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001139199254 1046410297 /nfs/dbraw/zinc/41/02/97/1046410297.db2.gz CXWMIXRXDKGJCD-OAHLLOKOSA-N 1 0 301.393 4.180 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC34CCCC4)cc2)c1 ZINC001139402641 1046443350 /nfs/dbraw/zinc/44/33/50/1046443350.db2.gz VGCVRSFJPHORHQ-UHFFFAOYSA-N 1 0 303.409 4.139 20 30 DIEDRO CCC[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)CC1CC1 ZINC001139400004 1046443658 /nfs/dbraw/zinc/44/36/58/1046443658.db2.gz BKVVZLUMIGSNFG-UHFFFAOYSA-N 1 0 305.425 4.242 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@@H]1C ZINC001139402534 1046443753 /nfs/dbraw/zinc/44/37/53/1046443753.db2.gz TYHFODVDAJRKBN-SJORKVTESA-N 1 0 319.452 4.488 20 30 DIEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406628 1046443933 /nfs/dbraw/zinc/44/39/33/1046443933.db2.gz XNHFPMBJZIWYCE-FQEVSTJZSA-N 1 0 305.425 4.241 20 30 DIEDRO C[C@H]1CCCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139400141 1046443973 /nfs/dbraw/zinc/44/39/73/1046443973.db2.gz HYGNCESGQRNRIC-INIZCTEOSA-N 1 0 305.425 4.242 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000781420416 1046444060 /nfs/dbraw/zinc/44/40/60/1046444060.db2.gz KHPJNNOIHYPCPE-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO C[C@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@H]1C ZINC001139402527 1046444105 /nfs/dbraw/zinc/44/41/05/1046444105.db2.gz TYHFODVDAJRKBN-DLBZAZTESA-N 1 0 319.452 4.488 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000781427400 1046444701 /nfs/dbraw/zinc/44/47/01/1046444701.db2.gz PBXYQPTXTLQCOF-BONVTDFDSA-N 1 0 315.417 4.191 20 30 DIEDRO CCC[NH+](CCC)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424439 1046449344 /nfs/dbraw/zinc/44/93/44/1046449344.db2.gz QZKULZKSAWDJHL-UHFFFAOYSA-N 1 0 309.413 4.368 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677042341 1046456722 /nfs/dbraw/zinc/45/67/22/1046456722.db2.gz JCMAPGOKHVYFOG-GOSISDBHSA-N 1 0 315.363 4.307 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1F ZINC001139527239 1046463107 /nfs/dbraw/zinc/46/31/07/1046463107.db2.gz BVPRYCBKCMGCDH-KRWDZBQOSA-N 1 0 308.400 4.152 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000127098711 1046480029 /nfs/dbraw/zinc/48/00/29/1046480029.db2.gz SJBDULMIGZJFLH-UHFFFAOYSA-N 1 0 315.457 4.175 20 30 DIEDRO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000247402837 1046480767 /nfs/dbraw/zinc/48/07/67/1046480767.db2.gz XOSWRTJJVLFGJV-QGPMSJSTSA-N 1 0 318.486 4.131 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)c1ccncc1 ZINC000781895542 1046484557 /nfs/dbraw/zinc/48/45/57/1046484557.db2.gz BTKZBELZZAETRA-IFXJQAMLSA-N 1 0 309.413 4.008 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1C(C)C ZINC001139618035 1046486607 /nfs/dbraw/zinc/48/66/07/1046486607.db2.gz IRWZMXRFCUHENG-UHFFFAOYSA-N 1 0 308.425 4.322 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)s1 ZINC000127847611 1046487401 /nfs/dbraw/zinc/48/74/01/1046487401.db2.gz FZRRYHPLBHKLME-CYBMUJFWSA-N 1 0 323.421 4.141 20 30 DIEDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1 ZINC000781929187 1046487886 /nfs/dbraw/zinc/48/78/86/1046487886.db2.gz GUOWETRWLGTHRQ-XLIONFOSSA-N 1 0 311.473 4.049 20 30 DIEDRO CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1CC ZINC001139625258 1046490148 /nfs/dbraw/zinc/49/01/48/1046490148.db2.gz DOBDZXOKQLDXKN-UHFFFAOYSA-N 1 0 308.425 4.151 20 30 DIEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c1 ZINC001139646285 1046494606 /nfs/dbraw/zinc/49/46/06/1046494606.db2.gz NJMKBYJTRPCJLK-UHFFFAOYSA-N 1 0 318.395 4.258 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(CC#N)cc2)c2ccccc12 ZINC001202956832 1046494844 /nfs/dbraw/zinc/49/48/44/1046494844.db2.gz WZGYGNBVJNEVCX-UHFFFAOYSA-N 1 0 316.404 4.204 20 30 DIEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CCc4ccccc43)CC2)c1 ZINC001139645933 1046495453 /nfs/dbraw/zinc/49/54/53/1046495453.db2.gz FONDITVGSQAELZ-UHFFFAOYSA-N 1 0 320.411 4.177 20 30 DIEDRO C[N@H+](C/C=C/c1ccccc1)Cc1c[nH]c2c1cccc2C#N ZINC001139706115 1046501711 /nfs/dbraw/zinc/50/17/11/1046501711.db2.gz LZOGQSKYXCZSOW-RMKNXTFCSA-N 1 0 301.393 4.185 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139726379 1046505547 /nfs/dbraw/zinc/50/55/47/1046505547.db2.gz LEAKNKZFNUKHOC-LJQANCHMSA-N 1 0 306.409 4.212 20 30 DIEDRO C=CCn1cc(C[N@@H+](C)C(c2ccccc2)c2ccccc2)cn1 ZINC001139766226 1046515036 /nfs/dbraw/zinc/51/50/36/1046515036.db2.gz MSIGVLCFNXSMBY-UHFFFAOYSA-N 1 0 317.436 4.291 20 30 DIEDRO C=CCn1cc(C[N@@H+](C)[C@H](C)c2cccc3ccccc32)cn1 ZINC001139771238 1046515988 /nfs/dbraw/zinc/51/59/88/1046515988.db2.gz UIXFKGWMBSZHLQ-MRXNPFEDSA-N 1 0 305.425 4.415 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1C[NH+]1CCC(S)CC1 ZINC001139823420 1046527203 /nfs/dbraw/zinc/52/72/03/1046527203.db2.gz LEVCGDQJZLKHLX-UHFFFAOYSA-N 1 0 304.484 4.013 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc2nc(C)ccc2c1)c1ccccc1 ZINC000782532459 1046534125 /nfs/dbraw/zinc/53/41/25/1046534125.db2.gz JJVAFABSXLVLOG-FQEVSTJZSA-N 1 0 300.405 4.397 20 30 DIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(C#N)c2)cc1 ZINC001139874946 1046539226 /nfs/dbraw/zinc/53/92/26/1046539226.db2.gz BQLBZUXYZNPBGD-HXUWFJFHSA-N 1 0 324.399 4.433 20 30 DIEDRO C[N@H+](Cc1ccc2ccccc2c1)Cc1cc(F)cc(C#N)c1 ZINC001139878715 1046539380 /nfs/dbraw/zinc/53/93/80/1046539380.db2.gz VCUBLIKXWHPUQT-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC001137319086 1046540569 /nfs/dbraw/zinc/54/05/69/1046540569.db2.gz GTHKAMXFUWGEOJ-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO C=CC[N@@H+](Cc1cnc(Br)s1)C1CCCCC1 ZINC001139916664 1046551939 /nfs/dbraw/zinc/55/19/39/1046551939.db2.gz UJJRDVLOPPEQQJ-UHFFFAOYSA-N 1 0 315.280 4.226 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1cnc(Br)s1 ZINC001139913747 1046552240 /nfs/dbraw/zinc/55/22/40/1046552240.db2.gz KZJAEMDNCLCDBY-UHFFFAOYSA-N 1 0 305.285 4.308 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)cc1)CCCS2 ZINC000783225908 1046563837 /nfs/dbraw/zinc/56/38/37/1046563837.db2.gz ZCLMGZAXAQYACE-GOSISDBHSA-N 1 0 324.449 4.284 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000783299653 1046574347 /nfs/dbraw/zinc/57/43/47/1046574347.db2.gz SCKDPYPOZYCKJI-CVEARBPZSA-N 1 0 310.482 4.110 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)cn1)CCC2 ZINC000783300649 1046577792 /nfs/dbraw/zinc/57/77/92/1046577792.db2.gz OTYHJRLACJWTJN-HXUWFJFHSA-N 1 0 305.425 4.244 20 30 DIEDRO N#CCC1CC[NH+](Cc2cnc(-c3ccc(F)cc3)s2)CC1 ZINC001140096416 1046587996 /nfs/dbraw/zinc/58/79/96/1046587996.db2.gz SYJRWTVRWFTLGY-UHFFFAOYSA-N 1 0 315.417 4.075 20 30 DIEDRO CC1CCC(C)([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236662695 1046589856 /nfs/dbraw/zinc/58/98/56/1046589856.db2.gz TZHOOGMHSWFXIK-UHFFFAOYSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(c3ccccn3)CC2)cc1 ZINC000678214430 1046590839 /nfs/dbraw/zinc/59/08/39/1046590839.db2.gz VKRVKWYUDPPRQF-UHFFFAOYSA-N 1 0 308.425 4.026 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H]3c3cccs3)c2c1 ZINC001140113864 1046591198 /nfs/dbraw/zinc/59/11/98/1046591198.db2.gz FQYLKHRWHGWORE-KRWDZBQOSA-N 1 0 307.422 4.438 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116141 1046593363 /nfs/dbraw/zinc/59/33/63/1046593363.db2.gz SRMDRUOKVHWGEQ-AWEZNQCLSA-N 1 0 319.408 4.241 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000678238445 1046595193 /nfs/dbraw/zinc/59/51/93/1046595193.db2.gz JFTYKFZGIGINRM-NRFANRHFSA-N 1 0 323.436 4.215 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116142 1046595722 /nfs/dbraw/zinc/59/57/22/1046595722.db2.gz SRMDRUOKVHWGEQ-CQSZACIVSA-N 1 0 319.408 4.241 20 30 DIEDRO N#Cc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2F)c(F)c1 ZINC001140139752 1046598653 /nfs/dbraw/zinc/59/86/53/1046598653.db2.gz CYBCWLRLHAUOFC-GOSISDBHSA-N 1 0 316.326 4.313 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001140139710 1046598698 /nfs/dbraw/zinc/59/86/98/1046598698.db2.gz JRVBDNDVLXABHF-UHFFFAOYSA-N 1 0 308.400 4.251 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)C(C)(C)C)cc1OC ZINC001203006105 1046599826 /nfs/dbraw/zinc/59/98/26/1046599826.db2.gz LCATZVXEBPNHFM-GFCCVEGCSA-N 1 0 311.853 4.438 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000245506058 1046609996 /nfs/dbraw/zinc/60/99/96/1046609996.db2.gz NFBYBWZOFDRCBB-PBHICJAKSA-N 1 0 312.438 4.376 20 30 DIEDRO COc1ccc(C[NH2+]C[C@H](C)c2cccc(Cl)c2)cc1C#N ZINC000783647819 1046618518 /nfs/dbraw/zinc/61/85/18/1046618518.db2.gz YUFIROJYGRXAFR-ZDUSSCGKSA-N 1 0 314.816 4.114 20 30 DIEDRO C=CCC[N@@H+](Cc1c[nH]c2cccc(O)c12)Cc1ccccc1 ZINC001140233119 1046621201 /nfs/dbraw/zinc/62/12/01/1046621201.db2.gz GFGMRNHCEJPYRY-UHFFFAOYSA-N 1 0 306.409 4.452 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(C2CC2)cc1 ZINC000419334521 1046623356 /nfs/dbraw/zinc/62/33/56/1046623356.db2.gz IYXMTJYXWSFEBK-MRXNPFEDSA-N 1 0 312.457 4.315 20 30 DIEDRO C=CC1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 ZINC000093359175 1046623631 /nfs/dbraw/zinc/62/36/31/1046623631.db2.gz JGCCJPYMJFEING-UHFFFAOYSA-N 1 0 318.852 4.064 20 30 DIEDRO C=CC[N@@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C)cc12 ZINC001140253216 1046625678 /nfs/dbraw/zinc/62/56/78/1046625678.db2.gz JNDUHSHIMMJFNA-UHFFFAOYSA-N 1 0 314.429 4.351 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1ccc(C)nc1C)C(C)C ZINC000678412569 1046630687 /nfs/dbraw/zinc/63/06/87/1046630687.db2.gz XPABCROMNPVWKD-FXAWDEMLSA-N 1 0 315.505 4.048 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2cc3ccccc3o2)cc1 ZINC000093689156 1046634988 /nfs/dbraw/zinc/63/49/88/1046634988.db2.gz FCPWEIUNCFJSHB-HNNXBMFYSA-N 1 0 320.392 4.356 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(Sc3ccccc3)CC2)c(F)c1 ZINC000532987600 1046635206 /nfs/dbraw/zinc/63/52/06/1046635206.db2.gz HSNAGAKQADKDBO-UHFFFAOYSA-N 1 0 312.413 4.112 20 30 DIEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C1CC1)C1CC1 ZINC000533003683 1046638207 /nfs/dbraw/zinc/63/82/07/1046638207.db2.gz JBTKANXADLBIKQ-UHFFFAOYSA-N 1 0 323.358 4.057 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000834640606 1046642573 /nfs/dbraw/zinc/64/25/73/1046642573.db2.gz PMIQXKCGLVUIMV-IAGOWNOFSA-N 1 0 323.440 4.046 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC001140296540 1046643394 /nfs/dbraw/zinc/64/33/94/1046643394.db2.gz SHUABFSAQXTSML-ZDUSSCGKSA-N 1 0 316.857 4.309 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)c2ccncc2)c1 ZINC000834650640 1046644792 /nfs/dbraw/zinc/64/47/92/1046644792.db2.gz OQZCUKQTNJQSBB-HKUYNNGSSA-N 1 0 309.413 4.003 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000834702491 1046649659 /nfs/dbraw/zinc/64/96/59/1046649659.db2.gz PFOMWIIBVJSZBG-UWVGGRQHSA-N 1 0 303.269 4.301 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccccc1-c1cnc(N)nc1 ZINC001140323148 1046655322 /nfs/dbraw/zinc/65/53/22/1046655322.db2.gz IGUAHDYXZVHOTM-UHFFFAOYSA-N 1 0 312.461 4.128 20 30 DIEDRO N#CCC[N@H+](Cc1cccc(-c2nccs2)c1)C1CCCC1 ZINC001140335228 1046662633 /nfs/dbraw/zinc/66/26/33/1046662633.db2.gz UBYZWVNZLBLXBX-UHFFFAOYSA-N 1 0 311.454 4.468 20 30 DIEDRO C[C@@H](Cc1cccs1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000678593980 1046667643 /nfs/dbraw/zinc/66/76/43/1046667643.db2.gz GGLAOPSITQRKQT-ZDUSSCGKSA-N 1 0 323.383 4.339 20 30 DIEDRO N#CCc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000784162834 1046669137 /nfs/dbraw/zinc/66/91/37/1046669137.db2.gz VXELTDJTMNDACD-UHFFFAOYSA-N 1 0 308.400 4.271 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000784158426 1046669145 /nfs/dbraw/zinc/66/91/45/1046669145.db2.gz LCBGMFPMHBAWQD-LJQANCHMSA-N 1 0 312.363 4.368 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834810233 1046674455 /nfs/dbraw/zinc/67/44/55/1046674455.db2.gz ALRBOPGOXXHATF-ROUUACIJSA-N 1 0 306.409 4.404 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000834819523 1046675670 /nfs/dbraw/zinc/67/56/70/1046675670.db2.gz XOCFIAAGDMALTC-HOCLYGCPSA-N 1 0 324.449 4.129 20 30 DIEDRO C=CC[N@@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2cc(C)ccc12 ZINC001140376964 1046678517 /nfs/dbraw/zinc/67/85/17/1046678517.db2.gz NSXWMDGTOXHGNI-UHFFFAOYSA-N 1 0 314.429 4.351 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2ccccn2)cc1 ZINC001140378931 1046678912 /nfs/dbraw/zinc/67/89/12/1046678912.db2.gz GVQATWIACRLPSD-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678715869 1046691387 /nfs/dbraw/zinc/69/13/87/1046691387.db2.gz GSYCQHNAIMEVBZ-MXWKQRLJSA-N 1 0 303.290 4.404 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000533299962 1046692286 /nfs/dbraw/zinc/69/22/86/1046692286.db2.gz TYDIDAQPCHOJMD-ZDUSSCGKSA-N 1 0 303.381 4.143 20 30 DIEDRO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000678747904 1046693535 /nfs/dbraw/zinc/69/35/35/1046693535.db2.gz FLYFUXJFOZTHNW-KSSFIOAISA-N 1 0 315.388 4.206 20 30 DIEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000678747905 1046693671 /nfs/dbraw/zinc/69/36/71/1046693671.db2.gz FLYFUXJFOZTHNW-RDTXWAMCSA-N 1 0 315.388 4.206 20 30 DIEDRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000678763556 1046695066 /nfs/dbraw/zinc/69/50/66/1046695066.db2.gz FDDRDNWUFLNAMN-AWEZNQCLSA-N 1 0 322.408 4.010 20 30 DIEDRO COc1ccc(C#N)cc1CN(C)[C@H](C)c1cc(F)ccc1F ZINC000533323450 1046696026 /nfs/dbraw/zinc/69/60/26/1046696026.db2.gz OXHSETNOBFRSGL-GFCCVEGCSA-N 1 0 316.351 4.038 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2C)c1 ZINC000784546709 1046696695 /nfs/dbraw/zinc/69/66/95/1046696695.db2.gz XBROZNZCPONANL-KBAYOESNSA-N 1 0 300.446 4.283 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834894155 1046704562 /nfs/dbraw/zinc/70/45/62/1046704562.db2.gz REROQQQEOVKKRB-DBVUQKKJSA-N 1 0 314.473 4.061 20 30 DIEDRO C[C@]1(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1(Cl)Cl ZINC000834894451 1046705057 /nfs/dbraw/zinc/70/50/57/1046705057.db2.gz SJSTXPMEOJXAPP-GJZGRUSLSA-N 1 0 309.240 4.109 20 30 DIEDRO C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc(C#N)cc1F ZINC000834895039 1046706147 /nfs/dbraw/zinc/70/61/47/1046706147.db2.gz WVKZRXALFYMORA-IINYFYTJSA-N 1 0 315.219 4.322 20 30 DIEDRO N#CCC1CC[NH+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001140418564 1046707121 /nfs/dbraw/zinc/70/71/21/1046707121.db2.gz SQJDJJFMWGRJMX-UHFFFAOYSA-N 1 0 315.417 4.075 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)c1 ZINC000834903453 1046713435 /nfs/dbraw/zinc/71/34/35/1046713435.db2.gz PNRUKJPTJMZIPA-CQSZACIVSA-N 1 0 311.450 4.249 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2c(cc1O)CCCC2 ZINC000834903298 1046715156 /nfs/dbraw/zinc/71/51/56/1046715156.db2.gz NXTSGHKVWXYHIA-ZDUSSCGKSA-N 1 0 324.399 4.133 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000834907600 1046715711 /nfs/dbraw/zinc/71/57/11/1046715711.db2.gz XMPKGZLBYSKYAA-OIISXLGYSA-N 1 0 322.493 4.014 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000834904201 1046716546 /nfs/dbraw/zinc/71/65/46/1046716546.db2.gz WGMWIHZSEKIRBU-LJQANCHMSA-N 1 0 324.399 4.263 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000533427480 1046720538 /nfs/dbraw/zinc/72/05/38/1046720538.db2.gz WYFRVQQDGIFWAS-HNNXBMFYSA-N 1 0 306.425 4.139 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000533425097 1046720902 /nfs/dbraw/zinc/72/09/02/1046720902.db2.gz MMZZIPIDLRQUPB-KRWDZBQOSA-N 1 0 302.462 4.309 20 30 DIEDRO CC[C@@H](C)CC=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000834934573 1046722413 /nfs/dbraw/zinc/72/24/13/1046722413.db2.gz IYAGQJONWPXBBM-GFCCVEGCSA-N 1 0 322.865 4.494 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@H]2CCCc3ccccc32)cc1C#N ZINC000533538742 1046745198 /nfs/dbraw/zinc/74/51/98/1046745198.db2.gz YKEIISUGDGUYFY-IBGZPJMESA-N 1 0 306.409 4.076 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(F)c(F)cc1C#N ZINC001211995507 1046754891 /nfs/dbraw/zinc/75/48/91/1046754891.db2.gz DXSSRUWFKWMNQV-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC001140510370 1046758559 /nfs/dbraw/zinc/75/85/59/1046758559.db2.gz OCIQKAKYRUQPQA-JKGDOXCYSA-N 1 0 308.510 4.236 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1c(C#N)ccc(F)c1F ZINC001211995851 1046761625 /nfs/dbraw/zinc/76/16/25/1046761625.db2.gz NUBXHEOUEQVWPS-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796977485 1046766279 /nfs/dbraw/zinc/76/62/79/1046766279.db2.gz JIASEHOYARWMKO-CPUCHLNUSA-N 1 0 323.864 4.289 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)nc1)C(c1ccccc1)c1ccccc1 ZINC001140541017 1046774408 /nfs/dbraw/zinc/77/44/08/1046774408.db2.gz VXGGMBWWCHAUNM-UHFFFAOYSA-N 1 0 313.404 4.175 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)cc1 ZINC000797066617 1046784775 /nfs/dbraw/zinc/78/47/75/1046784775.db2.gz SPGLYFRZRXJTDT-FFSVYQOJSA-N 1 0 311.878 4.220 20 30 DIEDRO CC1(C)CCC2(CC[NH+](Cc3cc(C#N)ccc3Cl)CC2)O1 ZINC001140603772 1046808902 /nfs/dbraw/zinc/80/89/02/1046808902.db2.gz CAXCUHAAMCMEHG-UHFFFAOYSA-N 1 0 318.848 4.135 20 30 DIEDRO Cc1ccc(O)c(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c1 ZINC001140621347 1046814114 /nfs/dbraw/zinc/81/41/14/1046814114.db2.gz YJYBWBRYROBMGG-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC001203054893 1046830053 /nfs/dbraw/zinc/83/00/53/1046830053.db2.gz IHJHJVIJSJJAAT-UHFFFAOYSA-N 1 0 312.891 4.349 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cc(C)cc(Br)c1 ZINC001203054989 1046833162 /nfs/dbraw/zinc/83/31/62/1046833162.db2.gz KGVQUVWMFYFNKD-UHFFFAOYSA-N 1 0 314.292 4.156 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000797468540 1046838338 /nfs/dbraw/zinc/83/83/38/1046838338.db2.gz KDTQHJXRIWNBQT-UHFFFAOYSA-N 1 0 300.349 4.082 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000797587576 1046855076 /nfs/dbraw/zinc/85/50/76/1046855076.db2.gz VHUIXVMKYHQHCF-CQSZACIVSA-N 1 0 304.821 4.162 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000797587575 1046855989 /nfs/dbraw/zinc/85/59/89/1046855989.db2.gz VHUIXVMKYHQHCF-AWEZNQCLSA-N 1 0 304.821 4.162 20 30 DIEDRO CC[C@H](CC#N)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC001255166049 1046858517 /nfs/dbraw/zinc/85/85/17/1046858517.db2.gz GKUXDKHRDZVHER-MRXNPFEDSA-N 1 0 321.262 4.321 20 30 DIEDRO CC(C)(C)c1cc(C[NH2+]CC2(C#N)CC2)c(O)c(C(C)(C)C)c1 ZINC000797605694 1046868408 /nfs/dbraw/zinc/86/84/08/1046868408.db2.gz UXVFHFUIKHIHFS-UHFFFAOYSA-N 1 0 314.473 4.381 20 30 DIEDRO Cc1cccc([C@@H](C)C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000237368387 1046875853 /nfs/dbraw/zinc/87/58/53/1046875853.db2.gz YXJFUGFXLHJWKW-SFHVURJKSA-N 1 0 321.468 4.238 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(Cl)ncc2ccccc21 ZINC001140725046 1046878961 /nfs/dbraw/zinc/87/89/61/1046878961.db2.gz VMCICRLZJKNHDX-XMQYKBBCSA-N 1 0 311.816 4.155 20 30 DIEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNCCC(C)(C)C)CC1 ZINC000797785992 1046880543 /nfs/dbraw/zinc/88/05/43/1046880543.db2.gz BQZINBCSRULCBS-UHFFFAOYSA-N 1 0 315.505 4.443 20 30 DIEDRO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC001140753656 1046885374 /nfs/dbraw/zinc/88/53/74/1046885374.db2.gz KIPFQPDITJGFSU-UHFFFAOYSA-N 1 0 316.395 4.237 20 30 DIEDRO C=CCN(Cc1ccccc1)Cc1cc(Br)ccn1 ZINC001140766526 1046887809 /nfs/dbraw/zinc/88/78/09/1046887809.db2.gz KKNIPYFJXVYDCX-UHFFFAOYSA-N 1 0 317.230 4.032 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000614963242 1046891132 /nfs/dbraw/zinc/89/11/32/1046891132.db2.gz ZCAGDYBSVFDZDP-BEFAXECRSA-N 1 0 308.450 4.409 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)cc1 ZINC000614963219 1046892325 /nfs/dbraw/zinc/89/23/25/1046892325.db2.gz VMUYODAIPJTLGC-OAQYLSRUSA-N 1 0 318.420 4.089 20 30 DIEDRO Cc1cc(F)ccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001140780456 1046892602 /nfs/dbraw/zinc/89/26/02/1046892602.db2.gz APHKZQXPNNMWGN-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2coc3ccccc23)CC1 ZINC001140782704 1046895349 /nfs/dbraw/zinc/89/53/49/1046895349.db2.gz QPLWMUPIKUGMJU-UHFFFAOYSA-N 1 0 316.404 4.490 20 30 DIEDRO CC(C)(CNC(=[NH2+])Nc1ccccc1)c1ccc(Cl)cc1 ZINC000303383085 1046914453 /nfs/dbraw/zinc/91/44/53/1046914453.db2.gz SVCYMINFTFKZQB-UHFFFAOYSA-N 1 0 301.821 4.044 20 30 DIEDRO CC(C)(CNC(=[NH2+])Nc1ccccc1)c1cccc(Cl)c1 ZINC000303365873 1046914601 /nfs/dbraw/zinc/91/46/01/1046914601.db2.gz GSJHESIXFVDXQF-UHFFFAOYSA-N 1 0 301.821 4.044 20 30 DIEDRO Cc1cc(Br)ccc1C[N@H+](CCC#N)C1CCCC1 ZINC001140817461 1046914564 /nfs/dbraw/zinc/91/45/64/1046914564.db2.gz YURLDYYJLTYGIE-UHFFFAOYSA-N 1 0 321.262 4.416 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000237448195 1046917257 /nfs/dbraw/zinc/91/72/57/1046917257.db2.gz WGNHNTZPWGJDMZ-CYBMUJFWSA-N 1 0 314.816 4.256 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1ccc(Cl)cc1C#N)c1ccco1 ZINC000303536551 1046931569 /nfs/dbraw/zinc/93/15/69/1046931569.db2.gz XQZKYIQGYUQUMV-INIZCTEOSA-N 1 0 317.820 4.300 20 30 DIEDRO C[C@H]1SCC[N@H+](Cc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000303681111 1046946363 /nfs/dbraw/zinc/94/63/63/1046946363.db2.gz JAURUKAKCJGZDZ-DNVCBOLYSA-N 1 0 308.450 4.237 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cccc(OC)c2)cc1 ZINC000303690844 1046948304 /nfs/dbraw/zinc/94/83/04/1046948304.db2.gz ADTSOEITJUFINL-AWEZNQCLSA-N 1 0 311.429 4.136 20 30 DIEDRO Cc1ccc([C@@H](CNc2cc(Cl)ccc2C#N)[NH+](C)C)cc1 ZINC000303751367 1046954072 /nfs/dbraw/zinc/95/40/72/1046954072.db2.gz HXCANQWHOYMDEC-GOSISDBHSA-N 1 0 313.832 4.235 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140941606 1046955373 /nfs/dbraw/zinc/95/53/73/1046955373.db2.gz OJEDMEONLTYGRN-OAHLLOKOSA-N 1 0 313.832 4.256 20 30 DIEDRO C=CCc1cc(C[NH2+]C2(c3ccccc3C)CC2)cc(OC)c1O ZINC000647224362 1046955595 /nfs/dbraw/zinc/95/55/95/1046955595.db2.gz CZEQGLIZERUMPD-UHFFFAOYSA-N 1 0 323.436 4.217 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000798501158 1046958486 /nfs/dbraw/zinc/95/84/86/1046958486.db2.gz HQTYGBKKKLKOSW-MRXNPFEDSA-N 1 0 317.433 4.029 20 30 DIEDRO CCCCCCCC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001137408537 1046975785 /nfs/dbraw/zinc/97/57/85/1046975785.db2.gz MITLKTSPHQYPHJ-MJGOQNOKSA-N 1 0 316.489 4.126 20 30 DIEDRO CCCCCCCCCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000836623757 1046977811 /nfs/dbraw/zinc/97/78/11/1046977811.db2.gz SLBOHMFIZBNLGA-AYHJJNSGSA-N 1 0 323.525 4.004 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000798930260 1046987457 /nfs/dbraw/zinc/98/74/57/1046987457.db2.gz MPLUWGIKNACRRG-AEFFLSMTSA-N 1 0 323.415 4.217 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000798936691 1046990855 /nfs/dbraw/zinc/99/08/55/1046990855.db2.gz KJPSINVKEKWCMI-CABCVRRESA-N 1 0 322.880 4.182 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000798961905 1046991739 /nfs/dbraw/zinc/99/17/39/1046991739.db2.gz HPIZVFGJKBGNOF-OAHLLOKOSA-N 1 0 309.523 4.451 20 30 DIEDRO C=CC[N@@H+](Cc1ccncc1NC(=O)OC(C)(C)C)C(C)(C)C ZINC001141087395 1047004556 /nfs/dbraw/zinc/00/45/56/1047004556.db2.gz AJODQWMGOJFSJW-UHFFFAOYSA-N 1 0 319.449 4.215 20 30 DIEDRO Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1Br ZINC001141092553 1047006652 /nfs/dbraw/zinc/00/66/52/1047006652.db2.gz UPDZEFXTBMFBDJ-XMQYKBBCSA-N 1 0 319.246 4.024 20 30 DIEDRO CCc1ccc(NC(=[NH2+])NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000303991501 1047011495 /nfs/dbraw/zinc/01/14/95/1047011495.db2.gz ZNJXKWRVTDYQQS-UHFFFAOYSA-N 1 0 320.440 4.008 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3nc(C)sc32)cc1 ZINC000272549560 1047016584 /nfs/dbraw/zinc/01/65/84/1047016584.db2.gz QYEPOLBLYFVHAH-INIZCTEOSA-N 1 0 314.454 4.184 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141167168 1047034081 /nfs/dbraw/zinc/03/40/81/1047034081.db2.gz CRUMKHDCDRHGBV-UHFFFAOYSA-N 1 0 308.400 4.251 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c(F)c1 ZINC001141196871 1047044938 /nfs/dbraw/zinc/04/49/38/1047044938.db2.gz WKYDKZXPNQZJDU-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO COc1cccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1F ZINC001141223455 1047050403 /nfs/dbraw/zinc/05/04/03/1047050403.db2.gz CZLFJHLSNNKROI-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCCc2c[nH]c3c2cccc3C)c1 ZINC000304750084 1047050461 /nfs/dbraw/zinc/05/04/61/1047050461.db2.gz IDCPZSPDXBUIET-UHFFFAOYSA-N 1 0 320.440 4.008 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCC(C)(C)c2cccs2)cc1C ZINC000304746199 1047051313 /nfs/dbraw/zinc/05/13/13/1047051313.db2.gz FSPSOSWMWXVLGU-UHFFFAOYSA-N 1 0 301.459 4.069 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCc2oc3ccccc3c2C)c1 ZINC000304763610 1047053485 /nfs/dbraw/zinc/05/34/85/1047053485.db2.gz WZLIGZYKLMTRHK-UHFFFAOYSA-N 1 0 307.397 4.230 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)s1 ZINC000799718557 1047055188 /nfs/dbraw/zinc/05/51/88/1047055188.db2.gz FQWITZCSVFHOAV-CZUORRHYSA-N 1 0 307.422 4.069 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H]1CCCc2c(OC)cccc21)c1ccccc1 ZINC000799720138 1047055204 /nfs/dbraw/zinc/05/52/04/1047055204.db2.gz BNZQGKOFKNHVLC-WOJBJXKFSA-N 1 0 305.421 4.427 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1C ZINC000799725118 1047057441 /nfs/dbraw/zinc/05/74/41/1047057441.db2.gz CYQSXFVVOZPBQN-KLAILNCOSA-N 1 0 300.446 4.293 20 30 DIEDRO Cc1c([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cnn1-c1ccccc1 ZINC000799726930 1047057671 /nfs/dbraw/zinc/05/76/71/1047057671.db2.gz SVLCBCYIJXFMJP-FAEJEUNOSA-N 1 0 322.456 4.161 20 30 DIEDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2cc(C#N)cs2)o1 ZINC000536666942 1047057606 /nfs/dbraw/zinc/05/76/06/1047057606.db2.gz VAUUTPKCXCTXIA-LRDDRELGSA-N 1 0 300.427 4.494 20 30 DIEDRO CN(C)c1cccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001141266534 1047068129 /nfs/dbraw/zinc/06/81/29/1047068129.db2.gz YPFJWUHJUPGRCI-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CCCc2cccs2)c1 ZINC000536702314 1047078022 /nfs/dbraw/zinc/07/80/22/1047078022.db2.gz FQHWJKQNLHPCOS-UHFFFAOYSA-N 1 0 314.454 4.153 20 30 DIEDRO C#C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141295444 1047078551 /nfs/dbraw/zinc/07/85/51/1047078551.db2.gz CQJCOCPPZVLBCX-KRWDZBQOSA-N 1 0 316.404 4.196 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1c(-c2ccccc2)nc2n1CCS2 ZINC001141309856 1047084875 /nfs/dbraw/zinc/08/48/75/1047084875.db2.gz DGGMKQGELJJIQY-UHFFFAOYSA-N 1 0 313.470 4.054 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(-c2nc(CC)no2)cc1 ZINC000536871736 1047116817 /nfs/dbraw/zinc/11/68/17/1047116817.db2.gz UVDLZARAOBVHRS-GJZGRUSLSA-N 1 0 313.445 4.032 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC2CCOCC2)cc1)C(C)(C)C ZINC001141418384 1047124146 /nfs/dbraw/zinc/12/41/46/1047124146.db2.gz REBSLFWXMSASNZ-UHFFFAOYSA-N 1 0 303.446 4.031 20 30 DIEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000537124319 1047138186 /nfs/dbraw/zinc/13/81/86/1047138186.db2.gz LMVSGODHEUYMQT-LJQANCHMSA-N 1 0 308.425 4.317 20 30 DIEDRO N#Cc1c(Cl)nsc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001116451679 1047143568 /nfs/dbraw/zinc/14/35/68/1047143568.db2.gz GHLWNRWALYSGQW-UHFFFAOYSA-N 1 0 318.833 4.008 20 30 DIEDRO C[N@@H+](Cc1ccc(OC(F)F)cc1)CC1CCC(C#N)CC1 ZINC000929122844 1047144914 /nfs/dbraw/zinc/14/49/14/1047144914.db2.gz YOJVHAKYFBHVKJ-UHFFFAOYSA-N 1 0 308.372 4.050 20 30 DIEDRO COc1ccccc1C1([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CCC1 ZINC001116494730 1047150388 /nfs/dbraw/zinc/15/03/88/1047150388.db2.gz IYGQTEMKHNKWFC-AWEZNQCLSA-N 1 0 324.399 4.436 20 30 DIEDRO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC1(C#N)CC1 ZINC000537247292 1047155592 /nfs/dbraw/zinc/15/55/92/1047155592.db2.gz CCUXJLWVXGPISA-LAUBAEHRSA-N 1 0 316.448 4.369 20 30 DIEDRO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC1(C#N)CC1 ZINC000537247293 1047155716 /nfs/dbraw/zinc/15/57/16/1047155716.db2.gz CCUXJLWVXGPISA-UTKZUKDTSA-N 1 0 316.448 4.369 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001116569066 1047158442 /nfs/dbraw/zinc/15/84/42/1047158442.db2.gz ZYZGSLLWEXDXSR-RDJZCZTQSA-N 1 0 321.420 4.051 20 30 DIEDRO CC(C)Cc1ccc([C@@H]([NH2+]C[C@@H](C#N)CCC#N)C2CC2)cc1 ZINC000537291155 1047159656 /nfs/dbraw/zinc/15/96/56/1047159656.db2.gz MHQXWMBNUWADTL-YLJYHZDGSA-N 1 0 309.457 4.369 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1cccc(C#N)c1 ZINC000537288473 1047160022 /nfs/dbraw/zinc/16/00/22/1047160022.db2.gz CDSMMXDTKIDBEZ-XGHQBKJUSA-N 1 0 319.452 4.044 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(OC)c(OC2CCCC2)c1 ZINC001141521110 1047159961 /nfs/dbraw/zinc/15/99/61/1047159961.db2.gz NQZZWLSBNYJKMG-UHFFFAOYSA-N 1 0 301.430 4.191 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000537292278 1047160079 /nfs/dbraw/zinc/16/00/79/1047160079.db2.gz UITVYSHYRWCDIO-HXUWFJFHSA-N 1 0 306.409 4.116 20 30 DIEDRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000537296283 1047161676 /nfs/dbraw/zinc/16/16/76/1047161676.db2.gz YIRKUDVIWWDMLZ-CVEARBPZSA-N 1 0 308.425 4.411 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2cccc(OCC#N)c2)cc1 ZINC001116639021 1047165261 /nfs/dbraw/zinc/16/52/61/1047165261.db2.gz FPSGHNSAVHFBFJ-RTWAWAEBSA-N 1 0 320.436 4.323 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000537407407 1047181806 /nfs/dbraw/zinc/18/18/06/1047181806.db2.gz PDFGOZPJIAEDQB-NEPJUHHUSA-N 1 0 313.332 4.017 20 30 DIEDRO Cc1ccccc1[C@@H](O)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000796407157 1047198782 /nfs/dbraw/zinc/19/87/82/1047198782.db2.gz KZASMRORTVSVOM-IBGZPJMESA-N 1 0 314.473 4.070 20 30 DIEDRO Cc1ccccc1[C@H](O)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000796407158 1047198905 /nfs/dbraw/zinc/19/89/05/1047198905.db2.gz KZASMRORTVSVOM-LJQANCHMSA-N 1 0 314.473 4.070 20 30 DIEDRO Cc1ccc(CCCC=[NH+]n2cnnc2-c2ccccc2)cc1C ZINC000783822264 1047206969 /nfs/dbraw/zinc/20/69/69/1047206969.db2.gz SYARGEKXJYVOGK-UHFFFAOYSA-N 1 0 318.424 4.419 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3scnc3C3CC3)CC2)cc1 ZINC000897589047 1047212655 /nfs/dbraw/zinc/21/26/55/1047212655.db2.gz RDASJUPNALHKAS-UHFFFAOYSA-N 1 0 323.465 4.272 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCOCC)cc1 ZINC001203112649 1047237280 /nfs/dbraw/zinc/23/72/80/1047237280.db2.gz BOUZMDHKTIRYJE-HKUYNNGSSA-N 1 0 303.446 4.284 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCOCC)cc1 ZINC001203112655 1047237618 /nfs/dbraw/zinc/23/76/18/1047237618.db2.gz BOUZMDHKTIRYJE-PKOBYXMFSA-N 1 0 303.446 4.284 20 30 DIEDRO CC(C)(C)c1ccncc1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001117948341 1047252093 /nfs/dbraw/zinc/25/20/93/1047252093.db2.gz SUYMOWFFECFYDQ-UHFFFAOYSA-N 1 0 319.452 4.093 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CC[C@H](O)c1ccccc1)c1ccccc1 ZINC000839608236 1047252235 /nfs/dbraw/zinc/25/22/35/1047252235.db2.gz QUKKTAFKFGDYNW-UXHICEINSA-N 1 0 308.425 4.135 20 30 DIEDRO CCC[N@@H+](Cc1cc(C#N)ccc1Br)CC(C)C ZINC001141664518 1047255992 /nfs/dbraw/zinc/25/59/92/1047255992.db2.gz OKGWFXQAEGDDLC-UHFFFAOYSA-N 1 0 309.251 4.189 20 30 DIEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141740292 1047282895 /nfs/dbraw/zinc/28/28/95/1047282895.db2.gz XZKWWZZDZCUMTB-INIZCTEOSA-N 1 0 302.421 4.383 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001203113784 1047288885 /nfs/dbraw/zinc/28/88/85/1047288885.db2.gz QLMXGXPERNFSNF-ICSRJNTNSA-N 1 0 311.473 4.261 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001203113764 1047289316 /nfs/dbraw/zinc/28/93/16/1047289316.db2.gz PYNUMESAQVXJJZ-SUMWQHHRSA-N 1 0 314.404 4.304 20 30 DIEDRO C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455864511 1047291062 /nfs/dbraw/zinc/29/10/62/1047291062.db2.gz SYHYNMTXDBVTOK-RDTXWAMCSA-N 1 0 315.461 4.102 20 30 DIEDRO CCC[C@](C)([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000897925826 1047300072 /nfs/dbraw/zinc/30/00/72/1047300072.db2.gz LLTZFVFHLJHRQD-FQEVSTJZSA-N 1 0 318.424 4.011 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000393797575 1047309516 /nfs/dbraw/zinc/30/95/16/1047309516.db2.gz JHLPUMBJJDSAFC-OWCLPIDISA-N 1 0 310.482 4.109 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)ccc1C#N ZINC001141944085 1047315145 /nfs/dbraw/zinc/31/51/45/1047315145.db2.gz WZPQWUOZWVAAJG-QGZVFWFLSA-N 1 0 315.486 4.220 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000651720853 1047324224 /nfs/dbraw/zinc/32/42/24/1047324224.db2.gz MAIUZNRYPONRNZ-HOCLYGCPSA-N 1 0 313.470 4.082 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000398185303 1047326218 /nfs/dbraw/zinc/32/62/18/1047326218.db2.gz UWFUGDFPLORGKH-WFASDCNBSA-N 1 0 301.352 4.073 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141977996 1047326903 /nfs/dbraw/zinc/32/69/03/1047326903.db2.gz WFIGYMJZANAFRG-GOSISDBHSA-N 1 0 320.461 4.274 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000651761460 1047327507 /nfs/dbraw/zinc/32/75/07/1047327507.db2.gz SVRYZWCKBRDOFZ-GRGSLBFTSA-N 1 0 303.421 4.380 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398130350 1047328107 /nfs/dbraw/zinc/32/81/07/1047328107.db2.gz VJTMEKPMISULJT-ULQDDVLXSA-N 1 0 324.509 4.356 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(-c3ccccc3)s2)CCOCC1 ZINC001119434650 1047331789 /nfs/dbraw/zinc/33/17/89/1047331789.db2.gz HPOFUBUCHJJYNK-UHFFFAOYSA-N 1 0 311.450 4.077 20 30 DIEDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000840936586 1047360690 /nfs/dbraw/zinc/36/06/90/1047360690.db2.gz LXWCRZNXLBQFHT-HXUWFJFHSA-N 1 0 307.441 4.196 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)CC(F)(F)F ZINC000840960430 1047365570 /nfs/dbraw/zinc/36/55/70/1047365570.db2.gz LWVOKYCRUZIQMX-QWHCGFSZSA-N 1 0 314.351 4.046 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2ccc(C#N)cc2F)C2CC2)ccc1F ZINC000533921188 1047389594 /nfs/dbraw/zinc/38/95/94/1047389594.db2.gz LHLDXLDNMCEOCF-IBGZPJMESA-N 1 0 312.363 4.386 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@H+](CC1CC1)CC1CCC1 ZINC000796576578 1047401255 /nfs/dbraw/zinc/40/12/55/1047401255.db2.gz YCRNRHBAGLEACS-UHFFFAOYSA-N 1 0 318.848 4.254 20 30 DIEDRO C=CCCn1cc(C[NH2+][C@@H](c2cccs2)C(CC)CC)nn1 ZINC000653603610 1047406377 /nfs/dbraw/zinc/40/63/77/1047406377.db2.gz WOCJXFYPVGVJIE-QGZVFWFLSA-N 1 0 318.490 4.183 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C/C=C/c1ccc(F)cc1F ZINC000618742167 1047407093 /nfs/dbraw/zinc/40/70/93/1047407093.db2.gz KKBKYUNIMWZQFM-SNDJDQCESA-N 1 0 310.347 4.127 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000618742172 1047407363 /nfs/dbraw/zinc/40/73/63/1047407363.db2.gz SGZJVCFSCVPXEI-OAHLLOKOSA-N 1 0 323.396 4.084 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1=CCN(C[C@H](C#N)CCC#N)CC1 ZINC000749334258 1047411028 /nfs/dbraw/zinc/41/10/28/1047411028.db2.gz SLBDMRHCWZVXSC-INIZCTEOSA-N 1 0 318.424 4.009 20 30 DIEDRO C=CCCn1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000653762085 1047418968 /nfs/dbraw/zinc/41/89/68/1047418968.db2.gz SSHGTUWFTFLLKF-UXHICEINSA-N 1 0 324.472 4.012 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000117877031 1047425794 /nfs/dbraw/zinc/42/57/94/1047425794.db2.gz RGTCOFMNWBURNQ-HNNXBMFYSA-N 1 0 315.392 4.021 20 30 DIEDRO C=C(CC)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC001168317156 1047425835 /nfs/dbraw/zinc/42/58/35/1047425835.db2.gz JUSNBSNBADXCRK-UHFFFAOYSA-N 1 0 300.265 4.441 20 30 DIEDRO C=CCCC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000117883894 1047426039 /nfs/dbraw/zinc/42/60/39/1047426039.db2.gz JSWLURUJJUHQLO-UHFFFAOYSA-N 1 0 324.827 4.096 20 30 DIEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000749801578 1047436975 /nfs/dbraw/zinc/43/69/75/1047436975.db2.gz GWRADFOCFKOECG-INIZCTEOSA-N 1 0 324.424 4.116 20 30 DIEDRO CC([NH2+]Nc1ccc(OCC(F)(F)F)cc1)=C1CC1(F)F ZINC000841625644 1047437299 /nfs/dbraw/zinc/43/72/99/1047437299.db2.gz XPWMSPFAICMIMI-NSHDSACASA-N 1 0 308.250 4.071 20 30 DIEDRO C[C@@H]1CCC[N@H+](CCCCNc2nc3ccccc3cc2C#N)C1 ZINC000750015803 1047453443 /nfs/dbraw/zinc/45/34/43/1047453443.db2.gz FDTXNYMESFGDRO-MRXNPFEDSA-N 1 0 322.456 4.030 20 30 DIEDRO COCc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000537620246 1047460696 /nfs/dbraw/zinc/46/06/96/1047460696.db2.gz POVJLPBPAIFKOF-NHCUHLMSSA-N 1 0 320.436 4.105 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cnc1Cl ZINC000841893400 1047461816 /nfs/dbraw/zinc/46/18/16/1047461816.db2.gz DTEYNAXOCDGKTD-KRWDZBQOSA-N 1 0 311.816 4.082 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(Cl)ccc1O ZINC000841893421 1047461976 /nfs/dbraw/zinc/46/19/76/1047461976.db2.gz DYALTDUUYXNBOO-QGZVFWFLSA-N 1 0 312.800 4.084 20 30 DIEDRO CSc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)cc1)CCC2 ZINC000842830708 1047507058 /nfs/dbraw/zinc/50/70/58/1047507058.db2.gz XAPPFUWRFLZNKW-LJQANCHMSA-N 1 0 308.450 4.447 20 30 DIEDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000842883278 1047511406 /nfs/dbraw/zinc/51/14/06/1047511406.db2.gz CMOIXERDYCYTQW-MRXNPFEDSA-N 1 0 307.441 4.060 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000842901198 1047512403 /nfs/dbraw/zinc/51/24/03/1047512403.db2.gz JCEMWESYVRYZHB-NVXWUHKLSA-N 1 0 315.461 4.002 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CCC1)c1ccc(OCC#N)cc1 ZINC000842900667 1047512573 /nfs/dbraw/zinc/51/25/73/1047512573.db2.gz GKDPHWWODZNFOL-OAHLLOKOSA-N 1 0 324.399 4.458 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2(c3ccccc3OC)CC2)cc1 ZINC000842905549 1047513426 /nfs/dbraw/zinc/51/34/26/1047513426.db2.gz ZTPUAZRTJHEBIN-MRXNPFEDSA-N 1 0 321.420 4.047 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C2(c3ccccc3OC)CC2)cc1 ZINC000842905548 1047513850 /nfs/dbraw/zinc/51/38/50/1047513850.db2.gz ZTPUAZRTJHEBIN-INIZCTEOSA-N 1 0 321.420 4.047 20 30 DIEDRO N#Cc1ccc2c(C[NH+]3CCC4(CC(F)(F)C4)CC3)c[nH]c2c1 ZINC001142915952 1047513859 /nfs/dbraw/zinc/51/38/59/1047513859.db2.gz KQPFOAFKJQOTLE-UHFFFAOYSA-N 1 0 315.367 4.051 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1 ZINC001142922287 1047514884 /nfs/dbraw/zinc/51/48/84/1047514884.db2.gz AKDOVKGONHBUSM-UHFFFAOYSA-N 1 0 301.393 4.228 20 30 DIEDRO CC[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000091919246 1047524032 /nfs/dbraw/zinc/52/40/32/1047524032.db2.gz QTHLSSOQCHHQPG-QGZVFWFLSA-N 1 0 322.456 4.086 20 30 DIEDRO CC(C)(C)c1cccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1O ZINC001143103431 1047531429 /nfs/dbraw/zinc/53/14/29/1047531429.db2.gz DABRPCVGVFEYCX-UHFFFAOYSA-N 1 0 320.436 4.120 20 30 DIEDRO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCc2ccc(Br)cc21 ZINC000537639422 1047535807 /nfs/dbraw/zinc/53/58/07/1047535807.db2.gz JLVRVOGJDUKSLG-BLLLJJGKSA-N 1 0 321.262 4.308 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2C[C@@H](OC(C)(C)C)C2)c(O)c1 ZINC000843265019 1047536415 /nfs/dbraw/zinc/53/64/15/1047536415.db2.gz SNXPFOTUDDBBHJ-HQJMKTBMSA-N 1 0 318.461 4.003 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1F ZINC001143173609 1047537176 /nfs/dbraw/zinc/53/71/76/1047537176.db2.gz AAWURTQCTOAMLJ-QGZVFWFLSA-N 1 0 304.384 4.381 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000092667130 1047537465 /nfs/dbraw/zinc/53/74/65/1047537465.db2.gz PFQUXPVLQBUWOX-SFHVURJKSA-N 1 0 318.436 4.137 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000093532645 1047548105 /nfs/dbraw/zinc/54/81/05/1047548105.db2.gz FXNKZCKKPSNFFR-UHFFFAOYSA-N 1 0 316.289 4.133 20 30 DIEDRO C#CC[C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000843423938 1047549909 /nfs/dbraw/zinc/54/99/09/1047549909.db2.gz MBNUAPDHDYSYKJ-ZDUSSCGKSA-N 1 0 302.468 4.107 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)cc1 ZINC000093845393 1047552897 /nfs/dbraw/zinc/55/28/97/1047552897.db2.gz UMFWOLPLTBNMQU-OXQOHEQNSA-N 1 0 323.440 4.043 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CCc2cccs2)ccc1OC ZINC000060926988 1047554705 /nfs/dbraw/zinc/55/47/05/1047554705.db2.gz ZTHKYMGPOZXJLV-UHFFFAOYSA-N 1 0 317.454 4.044 20 30 DIEDRO C=CCOc1ccccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000537708977 1047634886 /nfs/dbraw/zinc/63/48/86/1047634886.db2.gz BRLVFLVXEKFMGZ-UHFFFAOYSA-N 1 0 313.363 4.416 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)cc1C#N ZINC000926967062 1047658014 /nfs/dbraw/zinc/65/80/14/1047658014.db2.gz ZNMXTVRWFZQIGX-KRWDZBQOSA-N 1 0 311.816 4.082 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@H](C)c1ccc(F)cc1 ZINC000538139783 1047659566 /nfs/dbraw/zinc/65/95/66/1047659566.db2.gz ZDCIWMVVAMDEDN-CYBMUJFWSA-N 1 0 300.352 4.420 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000538158199 1047660408 /nfs/dbraw/zinc/66/04/08/1047660408.db2.gz COJFJAZJJUQRGD-CVEARBPZSA-N 1 0 315.379 4.319 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]CCCC(C)(C)C#N)cc1OC ZINC000538163979 1047660694 /nfs/dbraw/zinc/66/06/94/1047660694.db2.gz LWWCICCHMXIPPB-CQSZACIVSA-N 1 0 304.434 4.074 20 30 DIEDRO COCCSc1ccc([C@@H](C)[NH2+]CCCC(C)(C)C#N)cc1 ZINC000538204435 1047661514 /nfs/dbraw/zinc/66/15/14/1047661514.db2.gz GDHPGWIRPHRYBN-OAHLLOKOSA-N 1 0 320.502 4.406 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000538196172 1047662623 /nfs/dbraw/zinc/66/26/23/1047662623.db2.gz XBLMIPRHEIUWJC-KBPBESRZSA-N 1 0 319.445 4.389 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000538193619 1047662701 /nfs/dbraw/zinc/66/27/01/1047662701.db2.gz DAJZRCKNXGEFLR-KGLIPLIRSA-N 1 0 319.445 4.389 20 30 DIEDRO Cc1ccc(OCCCC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000538397401 1047672179 /nfs/dbraw/zinc/67/21/79/1047672179.db2.gz CDAGYIXLZOIDOC-KRWDZBQOSA-N 1 0 308.425 4.377 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000538407668 1047676130 /nfs/dbraw/zinc/67/61/30/1047676130.db2.gz IZBGYLRUWNLSBI-ZIAGYGMSSA-N 1 0 316.424 4.110 20 30 DIEDRO Cc1nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c(C#N)c(C)c1Cl ZINC001155341430 1047677904 /nfs/dbraw/zinc/67/79/04/1047677904.db2.gz YXUQNHJPXCPGMD-NSHDSACASA-N 1 0 324.815 4.187 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000538467212 1047680113 /nfs/dbraw/zinc/68/01/13/1047680113.db2.gz AVTPXPHXKCUZQN-OAHLLOKOSA-N 1 0 320.864 4.371 20 30 DIEDRO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(C#N)c(F)c1 ZINC000538502669 1047682172 /nfs/dbraw/zinc/68/21/72/1047682172.db2.gz FORWQTDTCLQYFM-ZDUSSCGKSA-N 1 0 307.372 4.072 20 30 DIEDRO Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508624 1047683884 /nfs/dbraw/zinc/68/38/84/1047683884.db2.gz VVUWRUSAYLZHEV-GJZGRUSLSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCC1)c1ccc(C#N)c(F)c1 ZINC000538507382 1047684239 /nfs/dbraw/zinc/68/42/39/1047684239.db2.gz AVZKCZOBXCCEFU-HNNXBMFYSA-N 1 0 308.400 4.470 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000538513450 1047685341 /nfs/dbraw/zinc/68/53/41/1047685341.db2.gz KCVHNGWMPHIJMJ-CYBMUJFWSA-N 1 0 304.409 4.205 20 30 DIEDRO N#Cc1cnc(Cl)cc1NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001155956511 1047692886 /nfs/dbraw/zinc/69/28/86/1047692886.db2.gz SCHGWEPRUCFVPB-UHFFFAOYSA-N 1 0 314.820 4.212 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1ccc(C#N)o1 ZINC000538752462 1047708374 /nfs/dbraw/zinc/70/83/74/1047708374.db2.gz MPNMFVYHRFEWEQ-STQMWFEESA-N 1 0 302.805 4.429 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000538823954 1047715706 /nfs/dbraw/zinc/71/57/06/1047715706.db2.gz UNMHYZHQNABALJ-YADHBBJMSA-N 1 0 314.432 4.451 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000539081954 1047734854 /nfs/dbraw/zinc/73/48/54/1047734854.db2.gz BWEQQNDNLNSUGE-CHWSQXEVSA-N 1 0 307.388 4.164 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC000539088314 1047735256 /nfs/dbraw/zinc/73/52/56/1047735256.db2.gz RMWZBQHPEUODDC-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000539261836 1047744986 /nfs/dbraw/zinc/74/49/86/1047744986.db2.gz XIMXYUUBUPOHMS-UHFFFAOYSA-N 1 0 315.338 4.336 20 30 DIEDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CCCC#N)c1 ZINC000539360831 1047750310 /nfs/dbraw/zinc/75/03/10/1047750310.db2.gz VKILWGMGLGTAFM-NRFANRHFSA-N 1 0 322.452 4.489 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCS1 ZINC000927034828 1047764073 /nfs/dbraw/zinc/76/40/73/1047764073.db2.gz YNHQWKAKHMPOBV-BARLLCKDSA-N 1 0 314.498 4.264 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc(OCC#N)cc1 ZINC000927038473 1047769763 /nfs/dbraw/zinc/76/97/63/1047769763.db2.gz PRBISKGCFOJKOT-GDBMZVCRSA-N 1 0 316.470 4.058 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000237500048 1047770777 /nfs/dbraw/zinc/77/07/77/1047770777.db2.gz DBAJJYUVBDMUPT-MGPUTAFESA-N 1 0 306.409 4.218 20 30 DIEDRO CC(C)=CCC/C(C)=C/CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001158260134 1047772544 /nfs/dbraw/zinc/77/25/44/1047772544.db2.gz VLWHIQRTSANIEU-CXUHLZMHSA-N 1 0 324.472 4.094 20 30 DIEDRO CCc1cc(Nc2sc3c(c2C#N)CC[NH2+]C3)ccc1Cl ZINC001159159717 1047817044 /nfs/dbraw/zinc/81/70/44/1047817044.db2.gz PATQJJASUINNGL-UHFFFAOYSA-N 1 0 317.845 4.225 20 30 DIEDRO CC(C)(C)n1cc(C#N)cc1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159167783 1047817146 /nfs/dbraw/zinc/81/71/46/1047817146.db2.gz SEZCSTPAWXMZKU-KRWDZBQOSA-N 1 0 308.429 4.283 20 30 DIEDRO N#Cc1c(Nc2ccc(Cl)cc2Cl)sc2c1CC[NH2+]C2 ZINC001159159900 1047817649 /nfs/dbraw/zinc/81/76/49/1047817649.db2.gz TWSYZGNIATWDFA-UHFFFAOYSA-N 1 0 324.236 4.316 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001159209578 1047821150 /nfs/dbraw/zinc/82/11/50/1047821150.db2.gz ZYDNKHSUAPIZRD-ZWKOTPCHSA-N 1 0 308.510 4.070 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2cc(F)cc(C#N)c2)C1 ZINC001159383870 1047837650 /nfs/dbraw/zinc/83/76/50/1047837650.db2.gz LJHKEOOQXYXFMG-DUVNUKRYSA-N 1 0 324.403 4.067 20 30 DIEDRO Cc1c(C#N)cccc1Nc1cnccc1[C@@H]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001159387399 1047837805 /nfs/dbraw/zinc/83/78/05/1047837805.db2.gz RQXUKDUCMVDMCW-XKQJLSEDSA-N 1 0 320.440 4.236 20 30 DIEDRO Cc1cc(Nc2cnccc2[C@H]2C[C@H]([NH3+])C[C@@H](C)C2)ccc1C#N ZINC001159390809 1047838884 /nfs/dbraw/zinc/83/88/84/1047838884.db2.gz ODZQIXISGUAIQR-IAOVAPTHSA-N 1 0 320.440 4.236 20 30 DIEDRO COc1cc(C[N@@H+]2CCc3ccc(C(C)C)cc3C2)ccc1C#N ZINC001182782271 1047845181 /nfs/dbraw/zinc/84/51/81/1047845181.db2.gz PDVFBXAWBUIJQM-UHFFFAOYSA-N 1 0 320.436 4.249 20 30 DIEDRO N#C[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001197620738 1047848980 /nfs/dbraw/zinc/84/89/80/1047848980.db2.gz CXWKGYPINBFATD-LJQANCHMSA-N 1 0 306.409 4.001 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)s1 ZINC000553457679 1047856196 /nfs/dbraw/zinc/85/61/96/1047856196.db2.gz RPERMCJJOLQPMP-IRXDYDNUSA-N 1 0 300.402 4.185 20 30 DIEDRO C=CCCC(C)(C)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001183035171 1047877649 /nfs/dbraw/zinc/87/76/49/1047877649.db2.gz DDNSVSGFLJPRJH-UHFFFAOYSA-N 1 0 301.352 4.462 20 30 DIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C ZINC001183076358 1047881478 /nfs/dbraw/zinc/88/14/78/1047881478.db2.gz YQEDPAATTRBENE-AWEZNQCLSA-N 1 0 312.457 4.062 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC001183065799 1047888501 /nfs/dbraw/zinc/88/85/01/1047888501.db2.gz PGOMAOIWLBHOPH-SFHVURJKSA-N 1 0 309.457 4.196 20 30 DIEDRO COc1cccc([C@@]2(C)CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC001174573584 1047890261 /nfs/dbraw/zinc/89/02/61/1047890261.db2.gz FWCBYXDDGNBDSW-KKSFZXQISA-N 1 0 320.436 4.291 20 30 DIEDRO COc1cccc([C@]2(C)CC[N@H+](Cc3ccc(C#N)cc3C)C2)c1 ZINC001174575832 1047892468 /nfs/dbraw/zinc/89/24/68/1047892468.db2.gz ZCWAVMKPKBCZCD-OAQYLSRUSA-N 1 0 320.436 4.039 20 30 DIEDRO C=CCC1([NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)CCCC1 ZINC001174593269 1047899026 /nfs/dbraw/zinc/89/90/26/1047899026.db2.gz NVGLYOWDLHPXQJ-UHFFFAOYSA-N 1 0 317.383 4.129 20 30 DIEDRO CCCc1cccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC001183181870 1047901306 /nfs/dbraw/zinc/90/13/06/1047901306.db2.gz ZCGMABRHLSZNPE-UHFFFAOYSA-N 1 0 304.437 4.263 20 30 DIEDRO CCC(CC)(CC)C[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001183197318 1047902807 /nfs/dbraw/zinc/90/28/07/1047902807.db2.gz RWHVFRUKYOWYIG-UHFFFAOYSA-N 1 0 313.489 4.333 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)Cc1ccc(-c2ccccc2)cc1 ZINC001183155930 1047902955 /nfs/dbraw/zinc/90/29/55/1047902955.db2.gz JMSTXRHAZNFWAJ-AVRDEDQJSA-N 1 0 321.464 4.303 20 30 DIEDRO CC[C@H](C[C@@H](C)CC)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001183197157 1047904123 /nfs/dbraw/zinc/90/41/23/1047904123.db2.gz OFKRFKBGZFUFSG-FUHWJXTLSA-N 1 0 313.489 4.331 20 30 DIEDRO C=CC[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001174642090 1047919120 /nfs/dbraw/zinc/91/91/20/1047919120.db2.gz PYJLFQTYXWXPPH-INIZCTEOSA-N 1 0 324.509 4.310 20 30 DIEDRO COc1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1C(C)C ZINC001159776580 1047921969 /nfs/dbraw/zinc/92/19/69/1047921969.db2.gz WELALZXJCYBGDM-UHFFFAOYSA-N 1 0 321.424 4.121 20 30 DIEDRO C=CCCCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000479538429 1047922500 /nfs/dbraw/zinc/92/25/00/1047922500.db2.gz BUJRRQUYHVSOLC-QGZVFWFLSA-N 1 0 314.473 4.034 20 30 DIEDRO C#CC[N@@H+](Cc1cccc(N(C)C)c1)[C@H]1CCCc2ccccc21 ZINC001198103903 1047928184 /nfs/dbraw/zinc/92/81/84/1047928184.db2.gz KVBHOCMWPYKWBR-QFIPXVFZSA-N 1 0 318.464 4.265 20 30 DIEDRO C#CC[N@@H+](CCc1scnc1C)[C@H]1CCCc2ccccc21 ZINC001198104025 1047928409 /nfs/dbraw/zinc/92/84/09/1047928409.db2.gz LQNGODXVZZYCIR-SFHVURJKSA-N 1 0 310.466 4.007 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC001198173872 1047932575 /nfs/dbraw/zinc/93/25/75/1047932575.db2.gz IZQODOREIABSLM-SFHVURJKSA-N 1 0 303.421 4.253 20 30 DIEDRO N#Cc1c(Cl)c(Cl)ccc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159854347 1047935785 /nfs/dbraw/zinc/93/57/85/1047935785.db2.gz RZFHNUYDOKIHJE-UHFFFAOYSA-N 1 0 318.207 4.254 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CC3CCC4(CC4)CC3)CCOCC2)c1 ZINC001174659660 1047938955 /nfs/dbraw/zinc/93/89/55/1047938955.db2.gz BEASMQFGTFNONK-UHFFFAOYSA-N 1 0 324.468 4.124 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000553781469 1047939521 /nfs/dbraw/zinc/93/95/21/1047939521.db2.gz KELGSJSNUVYMTL-UHFFFAOYSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(CC)(NC(=O)OC(C)(C)C)CC1 ZINC001183572120 1047946151 /nfs/dbraw/zinc/94/61/51/1047946151.db2.gz JTJOOJVALOPBOW-HNNXBMFYSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001198414497 1047953978 /nfs/dbraw/zinc/95/39/78/1047953978.db2.gz ULAAGVMGUIWOGZ-CJNGLKHVSA-N 1 0 314.256 4.457 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001183673382 1047955342 /nfs/dbraw/zinc/95/53/42/1047955342.db2.gz QYBWFBYDTQUTLT-INIZCTEOSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC001198457687 1047958268 /nfs/dbraw/zinc/95/82/68/1047958268.db2.gz HVUBTXKEPDMTSD-CQSZACIVSA-N 1 0 308.853 4.264 20 30 DIEDRO C[C@H]([NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C)c1cccc(C#N)c1 ZINC001183802783 1047968842 /nfs/dbraw/zinc/96/88/42/1047968842.db2.gz XPAYCJQZSFQSFX-BEVDRBHNSA-N 1 0 320.436 4.455 20 30 DIEDRO CCCCC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C#N ZINC001174779211 1047972896 /nfs/dbraw/zinc/97/28/96/1047972896.db2.gz ATJLAJBWGXFFME-GOSISDBHSA-N 1 0 300.446 4.372 20 30 DIEDRO N#Cc1ccc(-c2ccccc2NC=CC2CC[NH2+]CC2)cc1 ZINC001160027590 1047974814 /nfs/dbraw/zinc/97/48/14/1047974814.db2.gz HXTUQQIVVONYJU-SDNWHVSQSA-N 1 0 303.409 4.150 20 30 DIEDRO C=CCCCC[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001174749548 1047977225 /nfs/dbraw/zinc/97/72/25/1047977225.db2.gz NVNYEJURLFXCAX-HXUWFJFHSA-N 1 0 300.490 4.185 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001160183192 1047992890 /nfs/dbraw/zinc/99/28/90/1047992890.db2.gz XPDNXLZTHCXUPQ-OAHLLOKOSA-N 1 0 320.396 4.005 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1(NC(=O)OC(C)(C)C)CC1 ZINC001184035274 1047994357 /nfs/dbraw/zinc/99/43/57/1047994357.db2.gz NLBJVQFURLFDFD-HNNXBMFYSA-N 1 0 312.498 4.382 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001198704768 1047999336 /nfs/dbraw/zinc/99/93/36/1047999336.db2.gz FGKWMZTULNOALU-NRFANRHFSA-N 1 0 320.436 4.139 20 30 DIEDRO Cc1ccc(C#N)c(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)c1 ZINC001160264477 1048014779 /nfs/dbraw/zinc/01/47/79/1048014779.db2.gz YCGRKZXFKOIEID-QGZVFWFLSA-N 1 0 305.425 4.152 20 30 DIEDRO Cc1ccc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)cc1C#N ZINC001160265037 1048015874 /nfs/dbraw/zinc/01/58/74/1048015874.db2.gz HTQOTZXFVBNJOE-KRWDZBQOSA-N 1 0 305.425 4.152 20 30 DIEDRO Cc1ccc(C#N)cc1Nc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC001160265026 1048016215 /nfs/dbraw/zinc/01/62/15/1048016215.db2.gz HMFXFSPKTFZRMO-SFHVURJKSA-N 1 0 305.425 4.152 20 30 DIEDRO CCCCCCCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001199022141 1048024210 /nfs/dbraw/zinc/02/42/10/1048024210.db2.gz VWJKYSOHQZXRBM-UHFFFAOYSA-N 1 0 303.425 4.462 20 30 DIEDRO C=C(C)CC[N@@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001174974464 1048036509 /nfs/dbraw/zinc/03/65/09/1048036509.db2.gz DTZZEYDTVOCCFE-UHFFFAOYSA-N 1 0 309.457 4.223 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1nc2ccccc2n1C(F)F ZINC001184452332 1048041654 /nfs/dbraw/zinc/04/16/54/1048041654.db2.gz PYCMOIZRTPIWBR-NWDGAFQWSA-N 1 0 306.360 4.022 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC001184452331 1048041949 /nfs/dbraw/zinc/04/19/49/1048041949.db2.gz PYCMOIZRTPIWBR-NEPJUHHUSA-N 1 0 306.360 4.022 20 30 DIEDRO C=CC1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000554364377 1048079922 /nfs/dbraw/zinc/07/99/22/1048079922.db2.gz AZCJFZKLGKYFPI-UHFFFAOYSA-N 1 0 302.805 4.393 20 30 DIEDRO CC(C)(C)[PH+](CCCNC(=O)c1ccc(C#N)[nH]1)C(C)(C)C ZINC001199684026 1048087260 /nfs/dbraw/zinc/08/72/60/1048087260.db2.gz MHVPEGLXJBOFHN-UHFFFAOYSA-N 1 0 321.405 4.085 20 30 DIEDRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2(C#N)CC2)cc1C ZINC000776010602 1048087925 /nfs/dbraw/zinc/08/79/25/1048087925.db2.gz SDLJLRFYPNTWBM-HXUWFJFHSA-N 1 0 304.437 4.481 20 30 DIEDRO COC1(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCCC1 ZINC000480259440 1048104310 /nfs/dbraw/zinc/10/43/10/1048104310.db2.gz FOZGCKQNQFZCMI-UHFFFAOYSA-N 1 0 320.436 4.274 20 30 DIEDRO CC[C@H](CC#N)Nc1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001161052810 1048104950 /nfs/dbraw/zinc/10/49/50/1048104950.db2.gz NZKJNSUMEKBVFD-MRXNPFEDSA-N 1 0 304.397 4.189 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)C1CCC2(C[NH2+]C2)CC1 ZINC001161226719 1048115300 /nfs/dbraw/zinc/11/53/00/1048115300.db2.gz LFLRHFBIDSKNBV-UHFFFAOYSA-N 1 0 322.537 4.365 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)C12CCC([NH3+])(CC1)C2 ZINC001161227834 1048115871 /nfs/dbraw/zinc/11/58/71/1048115871.db2.gz UEMGZNDMZGHWAI-UHFFFAOYSA-N 1 0 308.510 4.247 20 30 DIEDRO C=CCN(C(=O)c1cccc([C@H]2CCC[NH2+]2)c1)C1CCCCC1 ZINC001161248343 1048117768 /nfs/dbraw/zinc/11/77/68/1048117768.db2.gz UKVNDUJKDNCZPW-LJQANCHMSA-N 1 0 312.457 4.072 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000774816750 1048127423 /nfs/dbraw/zinc/12/74/23/1048127423.db2.gz UWPXMJPLDRCDIT-FQEVSTJZSA-N 1 0 324.424 4.077 20 30 DIEDRO N#C[C@H](Nc1ccc(SC2CC[NH2+]CC2)cc1)c1ccccc1 ZINC001161726273 1048162061 /nfs/dbraw/zinc/16/20/61/1048162061.db2.gz ZIBPYGHUCGUPQB-IBGZPJMESA-N 1 0 323.465 4.207 20 30 DIEDRO C=CCCC[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001175165541 1048179096 /nfs/dbraw/zinc/17/90/96/1048179096.db2.gz UXPXBCKVFNHUIT-OAHLLOKOSA-N 1 0 301.261 4.152 20 30 DIEDRO Cc1cc(CC#N)ccc1N(CC[NH3+])c1cccc2ccccc21 ZINC001162006607 1048214785 /nfs/dbraw/zinc/21/47/85/1048214785.db2.gz DXQWILXSBUJVMJ-UHFFFAOYSA-N 1 0 315.420 4.311 20 30 DIEDRO CCCC[N@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000480730987 1048231749 /nfs/dbraw/zinc/23/17/49/1048231749.db2.gz JMCWNOHSNHIZEF-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO COCCC1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CCCCC1 ZINC000480749470 1048233023 /nfs/dbraw/zinc/23/30/23/1048233023.db2.gz NZWFVMIAXYHALA-HNNXBMFYSA-N 1 0 318.436 4.335 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C)c1ccncc1 ZINC000776154676 1048236685 /nfs/dbraw/zinc/23/66/85/1048236685.db2.gz CINLQXPXURCBOI-RCCFBDPRSA-N 1 0 302.462 4.128 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@@H](OCC)C1(CC)CC)c1ccncc1 ZINC000776154635 1048236874 /nfs/dbraw/zinc/23/68/74/1048236874.db2.gz BMHHOKUFOUQPBK-OKZBNKHCSA-N 1 0 302.462 4.272 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776155389 1048237824 /nfs/dbraw/zinc/23/78/24/1048237824.db2.gz GJTLRRIRZWXFCX-IXDOHACOSA-N 1 0 300.446 4.456 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(OCC#N)cc1 ZINC000776155141 1048238164 /nfs/dbraw/zinc/23/81/64/1048238164.db2.gz ZPVSNAWSYMQKIF-ACJLOTCBSA-N 1 0 312.438 4.452 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000776157813 1048242247 /nfs/dbraw/zinc/24/22/47/1048242247.db2.gz QVSATLIUJSXDMF-ZWKOTPCHSA-N 1 0 322.452 4.488 20 30 DIEDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccn1 ZINC000776158285 1048245513 /nfs/dbraw/zinc/24/55/13/1048245513.db2.gz VWPASGOGYZTGEQ-DNVCBOLYSA-N 1 0 309.413 4.176 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC001201396906 1048248635 /nfs/dbraw/zinc/24/86/35/1048248635.db2.gz HCLZKHWHFDWNDG-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO N#CC1(c2ccccc2F)CC[NH+](CC2CCCCC2)CC1 ZINC001201407495 1048252904 /nfs/dbraw/zinc/25/29/04/1048252904.db2.gz QRMJBBQWHTUKQT-UHFFFAOYSA-N 1 0 300.421 4.263 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001186070249 1048258289 /nfs/dbraw/zinc/25/82/89/1048258289.db2.gz NSTRACFOINBILD-CABCVRRESA-N 1 0 315.436 4.071 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1cc(C)cc(F)c1C#N)c1ccco1 ZINC001162308118 1048259134 /nfs/dbraw/zinc/25/91/34/1048259134.db2.gz OJJLVHBTZVWNGB-QGZVFWFLSA-N 1 0 315.392 4.094 20 30 DIEDRO Cc1ccc([C@@H](CNc2cc(F)ccc2C#N)[NH+]2CCCC2)cc1 ZINC001162320444 1048261120 /nfs/dbraw/zinc/26/11/20/1048261120.db2.gz HKELVQRCXMUTTI-HXUWFJFHSA-N 1 0 323.415 4.255 20 30 DIEDRO CC[C@H]1CN(Cc2nc(C#N)cs2)CC[C@@H]1c1ccccc1 ZINC000555095416 1048271366 /nfs/dbraw/zinc/27/13/66/1048271366.db2.gz YBEMTLDBWIKVBB-YOEHRIQHSA-N 1 0 311.454 4.030 20 30 DIEDRO N#CCc1cccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001175363878 1048278996 /nfs/dbraw/zinc/27/89/96/1048278996.db2.gz PETRIZBAABBPQI-UHFFFAOYSA-N 1 0 305.425 4.482 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H](C)CCC=C(C)C)C2 ZINC001201489155 1048280543 /nfs/dbraw/zinc/28/05/43/1048280543.db2.gz AIPJIGQGRHDXOM-HSALFYBXSA-N 1 0 321.505 4.195 20 30 DIEDRO C#Cc1ccccc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201478143 1048296451 /nfs/dbraw/zinc/29/64/51/1048296451.db2.gz XTFZTLLBJGNVCD-RTWAWAEBSA-N 1 0 314.432 4.401 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2cc3ccccc3[nH]2)c1 ZINC001201541325 1048300725 /nfs/dbraw/zinc/30/07/25/1048300725.db2.gz CRVSYSIJAVZOFT-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+](C[C@@H](CC)CCCC)CCC2 ZINC001201558305 1048317716 /nfs/dbraw/zinc/31/77/16/1048317716.db2.gz AZLQGFMKQANNEG-KRWDZBQOSA-N 1 0 319.493 4.008 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+](C[C@H](CC)CCCC)CCC2 ZINC001201558306 1048318160 /nfs/dbraw/zinc/31/81/60/1048318160.db2.gz AZLQGFMKQANNEG-QGZVFWFLSA-N 1 0 319.493 4.008 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+]Cc2csc(C#N)c2)cc1 ZINC001201587128 1048323531 /nfs/dbraw/zinc/32/35/31/1048323531.db2.gz LYOSVXMGJXUBIE-UHFFFAOYSA-N 1 0 314.454 4.129 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001201631165 1048327921 /nfs/dbraw/zinc/32/79/21/1048327921.db2.gz MJWCGKBGCAHOFB-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCOCCC#N ZINC000555377712 1048334787 /nfs/dbraw/zinc/33/47/87/1048334787.db2.gz SMFKNGDLOZYPBP-KRWDZBQOSA-N 1 0 308.425 4.277 20 30 DIEDRO Cc1ccc2c(C3=CC[N@@H+]([C@@H]4CC[C@@H](C#N)C4)CC3)c[nH]c2c1 ZINC000555404142 1048338995 /nfs/dbraw/zinc/33/89/95/1048338995.db2.gz BJLAKPQNKDKLDY-NVXWUHKLSA-N 1 0 305.425 4.258 20 30 DIEDRO C[C@H]1CCC[N@H+](CCCCNc2cccc(Cl)c2C#N)C1 ZINC000555415251 1048340595 /nfs/dbraw/zinc/34/05/95/1048340595.db2.gz LHUGUKQJLCGDOD-AWEZNQCLSA-N 1 0 305.853 4.136 20 30 DIEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000481265383 1048347954 /nfs/dbraw/zinc/34/79/54/1048347954.db2.gz AWYJAEBMZVHMNL-SMDDNHRTSA-N 1 0 307.235 4.084 20 30 DIEDRO C[C@]1(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCCS1 ZINC000600121498 1048368058 /nfs/dbraw/zinc/36/80/58/1048368058.db2.gz VFHXGRXUCQYJLS-KZNAEPCWSA-N 1 0 300.471 4.044 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000600121535 1048368438 /nfs/dbraw/zinc/36/84/38/1048368438.db2.gz WAIDSUUMCZYLGH-CTNGQTDRSA-N 1 0 315.420 4.440 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001201762229 1048369990 /nfs/dbraw/zinc/36/99/90/1048369990.db2.gz BSVOUGNUJWKQPQ-MRXNPFEDSA-N 1 0 324.509 4.146 20 30 DIEDRO CCCCCCCC[N@H+]1Cc2c(cnn2CC)[C@H](COCC)C1 ZINC001201813215 1048377164 /nfs/dbraw/zinc/37/71/64/1048377164.db2.gz CJSWRSGPMMDCSI-KRWDZBQOSA-N 1 0 321.509 4.199 20 30 DIEDRO CCCCCCCC[N@H+]1Cc2cnn(CC)c2[C@H](COCC)C1 ZINC001201815155 1048378152 /nfs/dbraw/zinc/37/81/52/1048378152.db2.gz XUULIKFSVZARRK-SFHVURJKSA-N 1 0 321.509 4.199 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(C[C@H]2C(=O)NC2CCC2)CC1 ZINC001201813160 1048378045 /nfs/dbraw/zinc/37/80/45/1048378045.db2.gz BHVSTGIRAMJGPE-SFHVURJKSA-N 1 0 320.521 4.118 20 30 DIEDRO N#Cc1cccc2c1CN(CCc1cccc(C(F)(F)F)c1)C2 ZINC000600177336 1048383002 /nfs/dbraw/zinc/38/30/02/1048383002.db2.gz QGYHCTWBDRDIQB-UHFFFAOYSA-N 1 0 316.326 4.135 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc(C#N)c3[nH]ccc32)c1 ZINC001162907958 1048384792 /nfs/dbraw/zinc/38/47/92/1048384792.db2.gz IIKJPCHQHILEAG-GFCCVEGCSA-N 1 0 300.365 4.003 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3c(C#N)c[nH]c3c2)c1 ZINC001162908861 1048385004 /nfs/dbraw/zinc/38/50/04/1048385004.db2.gz RXUCSINBJMQMIL-LBPRGKRZSA-N 1 0 300.365 4.003 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc(C#N)cc3[nH]ccc32)c1 ZINC001162909144 1048385162 /nfs/dbraw/zinc/38/51/62/1048385162.db2.gz VBCNXCRPYGBLCR-GFCCVEGCSA-N 1 0 300.365 4.003 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000600186373 1048386303 /nfs/dbraw/zinc/38/63/03/1048386303.db2.gz YECZLVOXJVFACI-HNNXBMFYSA-N 1 0 306.400 4.474 20 30 DIEDRO C=CC[C@@H](Nc1ccc(C[NH+]2CCCC2)cn1)c1ccccc1 ZINC001162909885 1048386353 /nfs/dbraw/zinc/38/63/53/1048386353.db2.gz UBPQPJQVXMOBHN-LJQANCHMSA-N 1 0 307.441 4.407 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201839385 1048386730 /nfs/dbraw/zinc/38/67/30/1048386730.db2.gz MQPDWXRIDFUWBL-CABCVRRESA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CC(=O)N(C(C)C)C2)CC1 ZINC001201839816 1048388411 /nfs/dbraw/zinc/38/84/11/1048388411.db2.gz JZEOOXSYHSABKZ-UHFFFAOYSA-N 1 0 308.510 4.070 20 30 DIEDRO CCC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000481398252 1048391607 /nfs/dbraw/zinc/39/16/07/1048391607.db2.gz DFCPPKOWKNUXMY-IBGZPJMESA-N 1 0 305.425 4.243 20 30 DIEDRO CCCCCCCCCC[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001201875031 1048393283 /nfs/dbraw/zinc/39/32/83/1048393283.db2.gz OARSWKBSADSZAO-QGZVFWFLSA-N 1 0 321.509 4.106 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(C[C@H]2C(=O)N(C)C)CC1 ZINC001201874710 1048393763 /nfs/dbraw/zinc/39/37/63/1048393763.db2.gz DDMNNUZVTWBPRM-SFHVURJKSA-N 1 0 322.537 4.317 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CCN(CC)C2=O)CC1 ZINC001201875272 1048394623 /nfs/dbraw/zinc/39/46/23/1048394623.db2.gz SXOHGGWNVQEKSL-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO C=C(C)[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000481573920 1048432134 /nfs/dbraw/zinc/43/21/34/1048432134.db2.gz UUILOSFRWBWAMB-YJBOKZPZSA-N 1 0 308.416 4.046 20 30 DIEDRO COc1cc(C[NH2+]C[C@@H](Cc2ccccc2)C(C)C)ccc1C#N ZINC001202056904 1048432626 /nfs/dbraw/zinc/43/26/26/1048432626.db2.gz DHDKPUIUBKCXPC-HXUWFJFHSA-N 1 0 322.452 4.171 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(N[C@@H]2C[NH2+]Cc3ccsc32)cc1 ZINC001163228605 1048440552 /nfs/dbraw/zinc/44/05/52/1048440552.db2.gz LPCBJAWILJIVPH-DLBZAZTESA-N 1 0 311.454 4.268 20 30 DIEDRO Cc1cc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)ccc1C#N ZINC001202084046 1048445913 /nfs/dbraw/zinc/44/59/13/1048445913.db2.gz QXBOTWZEZFARLP-UHFFFAOYSA-N 1 0 308.400 4.261 20 30 DIEDRO C=CCCC[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC001175766758 1048445859 /nfs/dbraw/zinc/44/58/59/1048445859.db2.gz FAEMZUHVQIGKJG-LEWJYISDSA-N 1 0 320.436 4.279 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCSC1 ZINC000555841416 1048450451 /nfs/dbraw/zinc/45/04/51/1048450451.db2.gz KLYONBRSRKHHIX-SFHVURJKSA-N 1 0 308.450 4.163 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCC(F)(F)C1 ZINC000481667252 1048450475 /nfs/dbraw/zinc/45/04/75/1048450475.db2.gz JTCDFBBFFDQNKP-RDJZCZTQSA-N 1 0 304.384 4.493 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481671459 1048452368 /nfs/dbraw/zinc/45/23/68/1048452368.db2.gz BPRMLPDEGSTZIZ-IIBYNOLFSA-N 1 0 318.420 4.141 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(O)CCCCCC1 ZINC000481680401 1048454285 /nfs/dbraw/zinc/45/42/85/1048454285.db2.gz YXBSYURPPYZTLJ-IBGZPJMESA-N 1 0 312.457 4.001 20 30 DIEDRO C=C(Br)C[N@H+]1CC[C@H](c2cccc(OC)c2)C1(C)C ZINC001175822573 1048465767 /nfs/dbraw/zinc/46/57/67/1048465767.db2.gz XLQSMMUBYFJBNL-OAHLLOKOSA-N 1 0 324.262 4.172 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000776254642 1048466978 /nfs/dbraw/zinc/46/69/78/1048466978.db2.gz IWMCCPOCADBFBH-LLVKDONJSA-N 1 0 303.475 4.451 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC001202178533 1048471904 /nfs/dbraw/zinc/47/19/04/1048471904.db2.gz UZOMZFPVAUTHFY-UHFFFAOYSA-N 1 0 318.848 4.245 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001202183152 1048473905 /nfs/dbraw/zinc/47/39/05/1048473905.db2.gz ADRPMJGJOKUBQN-QGZVFWFLSA-N 1 0 318.461 4.156 20 30 DIEDRO CCC1(CC)CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001175898415 1048476567 /nfs/dbraw/zinc/47/65/67/1048476567.db2.gz OGVNGYHUDXDTEN-UHFFFAOYSA-N 1 0 321.262 4.475 20 30 DIEDRO CCCC1(CCC)CCC[N@@H+]1CCOc1ccccc1C#N ZINC001175897732 1048477623 /nfs/dbraw/zinc/47/76/23/1048477623.db2.gz CMGKKDXRFBIKBQ-UHFFFAOYSA-N 1 0 300.446 4.372 20 30 DIEDRO C=CCCC[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001202258611 1048494311 /nfs/dbraw/zinc/49/43/11/1048494311.db2.gz HBZRNWQPXYKMPL-UHFFFAOYSA-N 1 0 317.864 4.257 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC001175935175 1048504603 /nfs/dbraw/zinc/50/46/03/1048504603.db2.gz IGDMQGIZCILQFD-INIZCTEOSA-N 1 0 310.363 4.262 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001202282014 1048509294 /nfs/dbraw/zinc/50/92/94/1048509294.db2.gz ZGLRUXLSHKJRIL-HXUWFJFHSA-N 1 0 308.400 4.481 20 30 DIEDRO CC(=O)C=C(C)Nc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001163742312 1048515507 /nfs/dbraw/zinc/51/55/07/1048515507.db2.gz ZSYJLIDCYOWLRH-GDNBJRDFSA-N 1 0 306.409 4.107 20 30 DIEDRO Cc1cc2[nH]c(C[N@@H+](C)Cc3ccc(C#N)cc3)cc2c(C)c1 ZINC000481919711 1048527529 /nfs/dbraw/zinc/52/75/29/1048527529.db2.gz DOCAKDNLIVHNRL-UHFFFAOYSA-N 1 0 303.409 4.288 20 30 DIEDRO N#CCc1cc(F)cc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001163847869 1048536510 /nfs/dbraw/zinc/53/65/10/1048536510.db2.gz FHZLBLJXPNQWNF-UHFFFAOYSA-N 1 0 311.404 4.497 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cnc3ccc(Cl)cn23)CCCC1 ZINC001202380670 1048537552 /nfs/dbraw/zinc/53/75/52/1048537552.db2.gz GFPUHSSBSSZVCG-UHFFFAOYSA-N 1 0 303.837 4.214 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC001202382139 1048539434 /nfs/dbraw/zinc/53/94/34/1048539434.db2.gz UXWIKFKSSPLAJQ-INIZCTEOSA-N 1 0 301.455 4.140 20 30 DIEDRO C=CCc1cc(C)cnc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163897134 1048545419 /nfs/dbraw/zinc/54/54/19/1048545419.db2.gz JWRHHPZYJIWICS-UHFFFAOYSA-N 1 0 311.816 4.175 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)C=C)cc1OC ZINC001202435954 1048552038 /nfs/dbraw/zinc/55/20/38/1048552038.db2.gz MPWXTKIWWYPELI-UHFFFAOYSA-N 1 0 309.837 4.215 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(OC)CCC2)cc1 ZINC000780746452 1048570105 /nfs/dbraw/zinc/57/01/05/1048570105.db2.gz OURTYEYSQJYMHL-CQSZACIVSA-N 1 0 309.837 4.038 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000781421894 1048578537 /nfs/dbraw/zinc/57/85/37/1048578537.db2.gz ILHAOFYKYNUJHY-LORHWOILSA-N 1 0 300.446 4.282 20 30 DIEDRO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1C[C@@H]1C ZINC001204169778 1048581441 /nfs/dbraw/zinc/58/14/41/1048581441.db2.gz BALVSUDNDHAGRE-RYUDHWBXSA-N 1 0 312.226 4.232 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc3ccnc(Cl)c3s2)cc1 ZINC001202474585 1048586651 /nfs/dbraw/zinc/58/66/51/1048586651.db2.gz HBMLETNOWMCGOL-UHFFFAOYSA-N 1 0 312.825 4.221 20 30 DIEDRO N#Cc1c(F)cc(F)cc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176196758 1048593149 /nfs/dbraw/zinc/59/31/49/1048593149.db2.gz DLJCRUUELTXEHC-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO N#Cc1cc(Nc2cccc(C[NH+]3CCCC3)c2)cc(F)c1F ZINC001176197487 1048593829 /nfs/dbraw/zinc/59/38/29/1048593829.db2.gz GFJAGMRZMHJVPQ-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO COc1cc(C[NH2+]Cc2c(C)cc(Cl)cc2C)ccc1C#N ZINC000567970530 1048609560 /nfs/dbraw/zinc/60/95/60/1048609560.db2.gz HAAIVUDOTXCAGA-UHFFFAOYSA-N 1 0 314.816 4.127 20 30 DIEDRO CC(C)[N@@H+](CC#Cc1cccc(Cl)c1)CCc1nccs1 ZINC000159922147 1048612127 /nfs/dbraw/zinc/61/21/27/1048612127.db2.gz WEUFTEUOZYXTGB-UHFFFAOYSA-N 1 0 318.873 4.101 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1OC ZINC000850030248 1048612210 /nfs/dbraw/zinc/61/22/10/1048612210.db2.gz WDJYOPAPIVNELB-LJQANCHMSA-N 1 0 320.436 4.491 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)c(C)c1 ZINC000850160927 1048619809 /nfs/dbraw/zinc/61/98/09/1048619809.db2.gz ALMWEMBHEDUWFU-UHFFFAOYSA-N 1 0 312.388 4.084 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3Cc4ccc(Cl)cc4C3)cc2)CC1 ZINC000850284793 1048630391 /nfs/dbraw/zinc/63/03/91/1048630391.db2.gz PLLZIDYLXQVQTJ-IBGZPJMESA-N 1 0 322.839 4.152 20 30 DIEDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000482568815 1048636935 /nfs/dbraw/zinc/63/69/35/1048636935.db2.gz RTJFTLNZUNYGGJ-LJQANCHMSA-N 1 0 312.363 4.000 20 30 DIEDRO Cc1cc[nH+]c(NCc2ccc(O[C@H](C)C#N)cc2)c1C1CC1 ZINC000850361780 1048638028 /nfs/dbraw/zinc/63/80/28/1048638028.db2.gz DUEGHZFKWVPMOU-CQSZACIVSA-N 1 0 307.397 4.170 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](c2ccccc2F)C(C)C)cc1C#N ZINC000850361981 1048638651 /nfs/dbraw/zinc/63/86/51/1048638651.db2.gz GVPMGXIBNIWTML-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000482627539 1048648180 /nfs/dbraw/zinc/64/81/80/1048648180.db2.gz HVUGHSJEUBNPFN-OAQYLSRUSA-N 1 0 314.517 4.192 20 30 DIEDRO Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000850411984 1048650391 /nfs/dbraw/zinc/65/03/91/1048650391.db2.gz QHDBYPBNQKDIMJ-KKSFZXQISA-N 1 0 320.436 4.453 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1cc2cnccc2o1 ZINC000850444634 1048658879 /nfs/dbraw/zinc/65/88/79/1048658879.db2.gz YPVJHFOTJWWISB-ZIAGYGMSSA-N 1 0 321.380 4.142 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(C(F)F)nc1)c1ccccc1 ZINC000850448354 1048659967 /nfs/dbraw/zinc/65/99/67/1048659967.db2.gz MZMMTRROIDEBLJ-CJNGLKHVSA-N 1 0 300.352 4.434 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(C)ccc2OC(F)F)CCCCC1 ZINC001176433431 1048670044 /nfs/dbraw/zinc/67/00/44/1048670044.db2.gz VWYBVYOLRDAVSZ-UHFFFAOYSA-N 1 0 307.384 4.412 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000850526503 1048678504 /nfs/dbraw/zinc/67/85/04/1048678504.db2.gz VQOQJIILQHPEMZ-GOEBONIOSA-N 1 0 321.848 4.180 20 30 DIEDRO C[N@H+](Cc1ccccc1Br)CC(C)(C)CCC#N ZINC000160387001 1048679629 /nfs/dbraw/zinc/67/96/29/1048679629.db2.gz NUJCWIGBMPYKMD-UHFFFAOYSA-N 1 0 309.251 4.211 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)c1ccc(OCC#N)cc1 ZINC000850554777 1048688938 /nfs/dbraw/zinc/68/89/38/1048688938.db2.gz KWVYDIXWEUCDSE-LXTOLFJKSA-N 1 0 304.409 4.156 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000482901834 1048699956 /nfs/dbraw/zinc/69/99/56/1048699956.db2.gz ODAYDULUUDIOOV-GOSISDBHSA-N 1 0 309.409 4.037 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)cc1 ZINC000160545817 1048710256 /nfs/dbraw/zinc/71/02/56/1048710256.db2.gz AOPQHJAPZREORE-LJQANCHMSA-N 1 0 310.372 4.043 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC)c1C ZINC001190349016 1048724676 /nfs/dbraw/zinc/72/46/76/1048724676.db2.gz PABFUDXVIKMBLB-UHFFFAOYSA-N 1 0 308.425 4.288 20 30 DIEDRO N#Cc1cc(Nc2ccc(CC[NH+]3CCCC3)cc2)ccc1F ZINC001176615555 1048735843 /nfs/dbraw/zinc/73/58/43/1048735843.db2.gz LBPFHIJZDBXPIO-UHFFFAOYSA-N 1 0 309.388 4.079 20 30 DIEDRO N#Cc1cc(Nc2cccc(C[NH+]3CCCCC3)c2)ccc1F ZINC001176615288 1048736244 /nfs/dbraw/zinc/73/62/44/1048736244.db2.gz CYMRFBMLFQDVOL-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C#CC[N@@H+](CCCc1ccccc1OC)[C@@H]1CCc2ccccc21 ZINC001190526714 1048749803 /nfs/dbraw/zinc/74/98/03/1048749803.db2.gz CNUCOMAXJOJTIF-OAQYLSRUSA-N 1 0 319.448 4.251 20 30 DIEDRO N#Cc1ccc(CN(Cc2ccsc2Cl)C2CC2)cc1 ZINC000483170093 1048752501 /nfs/dbraw/zinc/75/25/01/1048752501.db2.gz RARWMPJUWPFFMW-UHFFFAOYSA-N 1 0 302.830 4.438 20 30 DIEDRO Cn1cc(C[N@H+](Cc2ccc3ccccc3c2)C2CC2)cc1C#N ZINC000483172458 1048752989 /nfs/dbraw/zinc/75/29/89/1048752989.db2.gz LEDFZULNUMUTKV-UHFFFAOYSA-N 1 0 315.420 4.215 20 30 DIEDRO Cn1cc(C[N@H+](Cc2ccccc2)C2CCCCC2)cc1C#N ZINC000483186488 1048755655 /nfs/dbraw/zinc/75/56/55/1048755655.db2.gz VAFZGXCYGVILQE-UHFFFAOYSA-N 1 0 307.441 4.232 20 30 DIEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(C)cc1 ZINC001190562050 1048756315 /nfs/dbraw/zinc/75/63/15/1048756315.db2.gz XXQFVDDIKSMICZ-UHFFFAOYSA-N 1 0 308.425 4.158 20 30 DIEDRO CCOc1ccc2c(c1)C[N@@H+](CCC1(C#N)CCCCC1)CC2 ZINC001190570271 1048756449 /nfs/dbraw/zinc/75/64/49/1048756449.db2.gz BNFABHXUDKAQCU-UHFFFAOYSA-N 1 0 312.457 4.308 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000775399905 1048763481 /nfs/dbraw/zinc/76/34/81/1048763481.db2.gz WFSLTUKFNZYRAF-SFHVURJKSA-N 1 0 324.811 4.097 20 30 DIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000775398854 1048765051 /nfs/dbraw/zinc/76/50/51/1048765051.db2.gz CPHDRBMEDNJOPX-FQEVSTJZSA-N 1 0 320.436 4.103 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1Br)[C@H](C)C(C)C ZINC001190604038 1048765458 /nfs/dbraw/zinc/76/54/58/1048765458.db2.gz AWUWGIDHTAOFPO-GFCCVEGCSA-N 1 0 309.251 4.187 20 30 DIEDRO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1N(C)C ZINC001190635524 1048769848 /nfs/dbraw/zinc/76/98/48/1048769848.db2.gz LLPXGLRWQSFMPG-UHFFFAOYSA-N 1 0 321.468 4.343 20 30 DIEDRO N#Cc1cncc(C[N@@H+](CCc2ccccc2F)C2CCCC2)c1 ZINC001190635992 1048769900 /nfs/dbraw/zinc/76/99/00/1048769900.db2.gz XWXRZRIIYPWBMD-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2CC2CCCCC2)c1 ZINC001190643961 1048771456 /nfs/dbraw/zinc/77/14/56/1048771456.db2.gz REDGRZAHIIDOEL-IBGZPJMESA-N 1 0 312.457 4.372 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OC)c1C ZINC001190644246 1048772517 /nfs/dbraw/zinc/77/25/17/1048772517.db2.gz VYIPCBKSORZESV-UHFFFAOYSA-N 1 0 306.409 4.064 20 30 DIEDRO CC(C)[NH+]1CCC(CNc2cc(CC#N)cc3ccccc32)CC1 ZINC001166635403 1048773022 /nfs/dbraw/zinc/77/30/22/1048773022.db2.gz CZTOLWZWOSHZCH-UHFFFAOYSA-N 1 0 321.468 4.438 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC2(CO1)CCCCC2 ZINC001190708842 1048774574 /nfs/dbraw/zinc/77/45/74/1048774574.db2.gz WVCKECHTIMLNLK-IBGZPJMESA-N 1 0 315.432 4.000 20 30 DIEDRO N#Cc1ccc(C[N@H+](CC2CC2)C2CCC2)c(Br)c1 ZINC000483301765 1048775949 /nfs/dbraw/zinc/77/59/49/1048775949.db2.gz GXPUCGLJIUWOHW-UHFFFAOYSA-N 1 0 319.246 4.085 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000775413796 1048788582 /nfs/dbraw/zinc/78/85/82/1048788582.db2.gz BUAWFZZAIKSGBQ-NHCUHLMSSA-N 1 0 300.405 4.290 20 30 DIEDRO COCC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC001190801913 1048789328 /nfs/dbraw/zinc/78/93/28/1048789328.db2.gz NXYDFEYHMKQGNV-MSOLQXFVSA-N 1 0 314.473 4.223 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC001176797865 1048789518 /nfs/dbraw/zinc/78/95/18/1048789518.db2.gz GHMYMVHPDOYDEX-SJORKVTESA-N 1 0 314.473 4.031 20 30 DIEDRO CC[C@@H]1c2ccsc2CCN1Cc1ccc(C#N)c(F)c1 ZINC000483510824 1048808588 /nfs/dbraw/zinc/80/85/88/1048808588.db2.gz ABMUKGACCHBPML-MRXNPFEDSA-N 1 0 300.402 4.268 20 30 DIEDRO N#CCCc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC001166901443 1048810529 /nfs/dbraw/zinc/81/05/29/1048810529.db2.gz QHXFBKASUPFIJL-NRFANRHFSA-N 1 0 319.452 4.392 20 30 DIEDRO Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1CC#N ZINC001166899573 1048811557 /nfs/dbraw/zinc/81/15/57/1048811557.db2.gz CHRZZKSCOKRKFM-NRFANRHFSA-N 1 0 319.452 4.310 20 30 DIEDRO N#CC1CCC(C[N@@H+](CCc2ccc(F)cc2)C2CC2)CC1 ZINC001190954622 1048815870 /nfs/dbraw/zinc/81/58/70/1048815870.db2.gz KCNGUBQEKYRUQQ-UHFFFAOYSA-N 1 0 300.421 4.163 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000038003372 1048816629 /nfs/dbraw/zinc/81/66/29/1048816629.db2.gz AMWSDPBJFJPITI-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000852408801 1048838449 /nfs/dbraw/zinc/83/84/49/1048838449.db2.gz AXGCUVPNQOGUBL-OAHLLOKOSA-N 1 0 318.486 4.248 20 30 DIEDRO CCCCCCCCNC(=O)Nc1ccccc1C[NH+](C)C ZINC001191069716 1048838710 /nfs/dbraw/zinc/83/87/10/1048838710.db2.gz PSXXPCZFNJBDIO-UHFFFAOYSA-N 1 0 305.466 4.230 20 30 DIEDRO CCCCCCCCNC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC001191074240 1048839849 /nfs/dbraw/zinc/83/98/49/1048839849.db2.gz NHRDTRFDEQEYQO-QGZVFWFLSA-N 1 0 313.530 4.157 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cc(Cl)nc(Cl)c3)CC2)c1 ZINC000775430421 1048840341 /nfs/dbraw/zinc/84/03/41/1048840341.db2.gz OYLSNOHECFWILS-UHFFFAOYSA-N 1 0 318.207 4.039 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)cc1F ZINC000483702120 1048843944 /nfs/dbraw/zinc/84/39/44/1048843944.db2.gz UFJSOSMENYEQFI-MJGOQNOKSA-N 1 0 312.363 4.262 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C(C)(C)C ZINC000852554360 1048847568 /nfs/dbraw/zinc/84/75/68/1048847568.db2.gz KFCCMYYZMLFIES-UHFFFAOYSA-N 1 0 316.489 4.088 20 30 DIEDRO C=CCc1cc(C[NH2+]CC[C@@H]2CCCC2(C)C)cc(OC)c1O ZINC001203208738 1048847930 /nfs/dbraw/zinc/84/79/30/1048847930.db2.gz UJNFFMPTERPTOC-KRWDZBQOSA-N 1 0 317.473 4.435 20 30 DIEDRO CCCCCCCNC(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001191098136 1048849492 /nfs/dbraw/zinc/84/94/92/1048849492.db2.gz RRKGWXURJUNFMF-GOSISDBHSA-N 1 0 323.525 4.007 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)C1 ZINC001177249933 1048854672 /nfs/dbraw/zinc/85/46/72/1048854672.db2.gz GYIJYJFVBPROHH-WBVHZDCISA-N 1 0 300.446 4.237 20 30 DIEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000903324760 1048859463 /nfs/dbraw/zinc/85/94/63/1048859463.db2.gz QYLXHKNCNZLMCS-RBUKOAKNSA-N 1 0 307.441 4.095 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N(C)c1ccccc1 ZINC001177261785 1048860810 /nfs/dbraw/zinc/86/08/10/1048860810.db2.gz JZKHYZALNVIOAE-KRWDZBQOSA-N 1 0 321.468 4.102 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(C)o1 ZINC000067506528 1048861761 /nfs/dbraw/zinc/86/17/61/1048861761.db2.gz HUNJXQJWVQRYFH-HNNXBMFYSA-N 1 0 311.429 4.097 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC001191164981 1048871251 /nfs/dbraw/zinc/87/12/51/1048871251.db2.gz QGSQSGOEOSNHCF-UHFFFAOYSA-N 1 0 320.436 4.348 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773658038 1048874314 /nfs/dbraw/zinc/87/43/14/1048874314.db2.gz FJPPYGZYQVFPMA-AWEZNQCLSA-N 1 0 323.827 4.457 20 30 DIEDRO CCCCCCC[C@@H](C)C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC001177428485 1048891278 /nfs/dbraw/zinc/89/12/78/1048891278.db2.gz AJHAVUWQUNSDTQ-OAHLLOKOSA-N 1 0 323.550 4.296 20 30 DIEDRO Cc1cc(C)cc(OCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC001177476046 1048892092 /nfs/dbraw/zinc/89/20/92/1048892092.db2.gz WGAZKUURQJDYRX-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO FC(F)(F)c1cccc(C2([NH2+]CC#Cc3ccccc3)CC2)c1 ZINC000484069307 1048897296 /nfs/dbraw/zinc/89/72/96/1048897296.db2.gz PTCNWTZMIIVIGJ-UHFFFAOYSA-N 1 0 315.338 4.336 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1cc(C#N)ccn1 ZINC001191193146 1048897063 /nfs/dbraw/zinc/89/70/63/1048897063.db2.gz JQJQFXMDLBPLNS-FQEVSTJZSA-N 1 0 307.441 4.105 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1c1ccccc1 ZINC001191224075 1048901865 /nfs/dbraw/zinc/90/18/65/1048901865.db2.gz SFWCELNVYCADCV-HNAYVOBHSA-N 1 0 308.400 4.323 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC001191233269 1048906457 /nfs/dbraw/zinc/90/64/57/1048906457.db2.gz MKFKQWSAEVPYQJ-PMACEKPBSA-N 1 0 305.425 4.111 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](CCC(C)C)C2)cc1C#N ZINC001203486209 1048911529 /nfs/dbraw/zinc/91/15/29/1048911529.db2.gz XLRTWCKKVOAUCJ-YJBOKZPZSA-N 1 0 300.446 4.261 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001203503986 1048913545 /nfs/dbraw/zinc/91/35/45/1048913545.db2.gz MSDKZEPQBVVFCN-CABCVRRESA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cc(OC)cnc1F)c1ccccc1 ZINC001203496056 1048914041 /nfs/dbraw/zinc/91/40/41/1048914041.db2.gz DLJIUPJXZVSIAX-SFHVURJKSA-N 1 0 314.404 4.417 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001203503988 1048914295 /nfs/dbraw/zinc/91/42/95/1048914295.db2.gz MSDKZEPQBVVFCN-HUUCEWRRSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnn(C)c1Cl)c1ccccc1 ZINC001203495999 1048914349 /nfs/dbraw/zinc/91/43/49/1048914349.db2.gz BGAZJUROMZWZEZ-INIZCTEOSA-N 1 0 303.837 4.261 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc3cccnc32)cc1 ZINC001177557761 1048916244 /nfs/dbraw/zinc/91/62/44/1048916244.db2.gz KJAWKFQUOASRNG-UHFFFAOYSA-N 1 0 315.420 4.326 20 30 DIEDRO COCC#CC[N@H+](C1CC1)[C@H]1CCCC[C@H]1C1CCCCC1 ZINC001191341287 1048920753 /nfs/dbraw/zinc/92/07/53/1048920753.db2.gz MCFDSHQVAKESDP-PMACEKPBSA-N 1 0 303.490 4.240 20 30 DIEDRO CC(C)[C@@](C)([NH2+]CC1(C#N)CC1)c1ccc(Br)cc1 ZINC000484322171 1048925462 /nfs/dbraw/zinc/92/54/62/1048925462.db2.gz CDZMKJWOOVIZES-OAHLLOKOSA-N 1 0 321.262 4.214 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH2+]CCC[C@H]2C=CCC2)c1 ZINC001203553211 1048927238 /nfs/dbraw/zinc/92/72/38/1048927238.db2.gz CAKFGFXTKRZPTE-ZDUSSCGKSA-N 1 0 319.246 4.157 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC001177683337 1048928058 /nfs/dbraw/zinc/92/80/58/1048928058.db2.gz AXOQMHOCTAQRAA-TZIWHRDSSA-N 1 0 312.501 4.343 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)CC1 ZINC001177683689 1048929975 /nfs/dbraw/zinc/92/99/75/1048929975.db2.gz PEAXUOBKOPSQQJ-HFSMHLIXSA-N 1 0 312.501 4.199 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC001203573154 1048933418 /nfs/dbraw/zinc/93/34/18/1048933418.db2.gz VIJIYVSTAKYSCV-UHFFFAOYSA-N 1 0 311.853 4.439 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001177693615 1048935247 /nfs/dbraw/zinc/93/52/47/1048935247.db2.gz WAMXHANDQVHKPJ-OCCSQVGLSA-N 1 0 309.837 4.192 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000194886336 1048946254 /nfs/dbraw/zinc/94/62/54/1048946254.db2.gz DHALNRRJEMHJHT-HNNXBMFYSA-N 1 0 304.503 4.100 20 30 DIEDRO CCCCCCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC001191530092 1048957398 /nfs/dbraw/zinc/95/73/98/1048957398.db2.gz JINAKATYWGBAQY-UXHICEINSA-N 1 0 319.489 4.171 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001177879204 1048962187 /nfs/dbraw/zinc/96/21/87/1048962187.db2.gz BJMZUVHOQOYPPZ-FUTHQCHMSA-N 1 0 320.521 4.378 20 30 DIEDRO CC(C)[N@H+](Cc1cc(C#N)ccc1Br)C1CCCC1 ZINC001191582329 1048962852 /nfs/dbraw/zinc/96/28/52/1048962852.db2.gz OUQGKFIABJOZCJ-UHFFFAOYSA-N 1 0 321.262 4.474 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000776733745 1048968379 /nfs/dbraw/zinc/96/83/79/1048968379.db2.gz XYYYIIGFYAVMPA-QWHCGFSZSA-N 1 0 300.352 4.291 20 30 DIEDRO C#Cc1ccc(C[NH2+]C[C@H](CC)Oc2ccccc2Cl)cc1 ZINC001177948963 1048968640 /nfs/dbraw/zinc/96/86/40/1048968640.db2.gz MQZZVKFBWBSNKC-KRWDZBQOSA-N 1 0 313.828 4.269 20 30 DIEDRO Cc1ccc(C)c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001203740787 1048986434 /nfs/dbraw/zinc/98/64/34/1048986434.db2.gz JEQXAAQABNNSBB-UHFFFAOYSA-N 1 0 304.437 4.361 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC001191742222 1048995709 /nfs/dbraw/zinc/99/57/09/1048995709.db2.gz MVRBEYCRBVONAJ-DLBZAZTESA-N 1 0 320.864 4.237 20 30 DIEDRO CCCCCCC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001191788807 1048999582 /nfs/dbraw/zinc/99/95/82/1048999582.db2.gz AISJIZHWKDJBIB-UHFFFAOYSA-N 1 0 303.446 4.257 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(Oc3cnccn3)cc2)CCCCC1 ZINC001203810287 1049005465 /nfs/dbraw/zinc/00/54/65/1049005465.db2.gz PMTLXYMMWBHOGW-UHFFFAOYSA-N 1 0 321.424 4.085 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1ccccc1 ZINC001178223014 1049005837 /nfs/dbraw/zinc/00/58/37/1049005837.db2.gz JGZJBKNISQSZME-QGZVFWFLSA-N 1 0 310.784 4.335 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC001203821530 1049009752 /nfs/dbraw/zinc/00/97/52/1049009752.db2.gz WAWXEQLRIQKLIG-QGZVFWFLSA-N 1 0 314.473 4.171 20 30 DIEDRO Cc1cc(C#N)c(Nc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC001203826614 1049012145 /nfs/dbraw/zinc/01/21/45/1049012145.db2.gz CBNCHZUHOVRSCN-UHFFFAOYSA-N 1 0 309.388 4.345 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1CCC(C)C ZINC001191919605 1049017500 /nfs/dbraw/zinc/01/75/00/1049017500.db2.gz DAIDECFGHMYEIY-GOSISDBHSA-N 1 0 300.446 4.358 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001178345545 1049017738 /nfs/dbraw/zinc/01/77/38/1049017738.db2.gz ADOBKNLLCKLWAK-KRWDZBQOSA-N 1 0 304.437 4.070 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000776799603 1049018188 /nfs/dbraw/zinc/01/81/88/1049018188.db2.gz MTRPQOSYNIUUFY-ZDUSSCGKSA-N 1 0 307.422 4.327 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC001191949695 1049019056 /nfs/dbraw/zinc/01/90/56/1049019056.db2.gz MVHJKINEYBXOFD-FQEVSTJZSA-N 1 0 324.399 4.207 20 30 DIEDRO C#Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC001178310699 1049019297 /nfs/dbraw/zinc/01/92/97/1049019297.db2.gz CYGVOCVCKJHFLU-OAQYLSRUSA-N 1 0 316.448 4.277 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2OC)C1 ZINC001178537170 1049053471 /nfs/dbraw/zinc/05/34/71/1049053471.db2.gz KJWFHLUSKNPOQG-DOMZBBRYSA-N 1 0 324.262 4.292 20 30 DIEDRO C=C[C@H](COC)[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001178536982 1049053940 /nfs/dbraw/zinc/05/39/40/1049053940.db2.gz GKYGERMJAOFGIX-MRXNPFEDSA-N 1 0 301.817 4.298 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC001178581078 1049055176 /nfs/dbraw/zinc/05/51/76/1049055176.db2.gz DJGUQZGYYZBOGH-MRXNPFEDSA-N 1 0 303.837 4.278 20 30 DIEDRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c2ccccc12 ZINC001203995479 1049055816 /nfs/dbraw/zinc/05/58/16/1049055816.db2.gz LPJBJSDNOOUBHU-XGBSXSJOSA-N 1 0 306.409 4.115 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)c(F)cc1Br ZINC001178584659 1049057960 /nfs/dbraw/zinc/05/79/60/1049057960.db2.gz NEZMLSXEIQXKDI-LBPRGKRZSA-N 1 0 300.215 4.341 20 30 DIEDRO CCCCCCCC[C@@H](CO)[NH2+][C@H]1CCc2cccnc2CC1 ZINC001204011448 1049060484 /nfs/dbraw/zinc/06/04/84/1049060484.db2.gz AHHAADNOAQQJDZ-OALUTQOASA-N 1 0 318.505 4.030 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)ccc1Cl ZINC001178561903 1049063631 /nfs/dbraw/zinc/06/36/31/1049063631.db2.gz UYGIRUAQPNJABD-UHFFFAOYSA-N 1 0 321.207 4.163 20 30 DIEDRO C=CCCCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000904433566 1049066249 /nfs/dbraw/zinc/06/62/49/1049066249.db2.gz SZBVTMRJNMSUDL-UHFFFAOYSA-N 1 0 311.429 4.231 20 30 DIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC001192234680 1049066945 /nfs/dbraw/zinc/06/69/45/1049066945.db2.gz TXAVNMISJNJJEL-VQTJNVASSA-N 1 0 312.457 4.026 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC001178623920 1049067346 /nfs/dbraw/zinc/06/73/46/1049067346.db2.gz CFQDUVWKEYQNDQ-PXNSSMCTSA-N 1 0 323.411 4.264 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC001178689525 1049074537 /nfs/dbraw/zinc/07/45/37/1049074537.db2.gz YFGLZWSARWATGP-UHFFFAOYSA-N 1 0 301.409 4.442 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC001178700506 1049077083 /nfs/dbraw/zinc/07/70/83/1049077083.db2.gz RFOLBMBJNVJIOH-UHFFFAOYSA-N 1 0 317.816 4.209 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cnc3c(F)cccc3c2)cc1 ZINC001178700593 1049077573 /nfs/dbraw/zinc/07/75/73/1049077573.db2.gz VEWGPOIVBWDAGM-UHFFFAOYSA-N 1 0 322.383 4.229 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)ccc2C)c1 ZINC000113960880 1049079903 /nfs/dbraw/zinc/07/99/03/1049079903.db2.gz KVFOZNRWAOKQSW-LJQANCHMSA-N 1 0 308.425 4.274 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)cc1 ZINC001178759116 1049085120 /nfs/dbraw/zinc/08/51/20/1049085120.db2.gz VJTSMJFKKHDPCA-UHFFFAOYSA-N 1 0 315.363 4.176 20 30 DIEDRO N#CCc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001204109775 1049086398 /nfs/dbraw/zinc/08/63/98/1049086398.db2.gz YKYPHLAQQVYYOI-UHFFFAOYSA-N 1 0 305.425 4.482 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cc(OC)c(O)c(OC)c1 ZINC001204120794 1049087861 /nfs/dbraw/zinc/08/78/61/1049087861.db2.gz FHIXGFDQRRBICM-UHFFFAOYSA-N 1 0 309.450 4.202 20 30 DIEDRO O=C1C=C2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)CC[C@@H]2S1 ZINC001204134918 1049090948 /nfs/dbraw/zinc/09/09/48/1049090948.db2.gz HYYZXKJMWNVDQE-IBGZPJMESA-N 1 0 321.445 4.128 20 30 DIEDRO C(#Cc1ccccc1)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC001204164002 1049100163 /nfs/dbraw/zinc/10/01/63/1049100163.db2.gz WWVOSNJXPFOPGC-LJQANCHMSA-N 1 0 307.462 4.152 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856776182 1049104362 /nfs/dbraw/zinc/10/43/62/1049104362.db2.gz BUBDNCAJRCIVMG-SECBINFHSA-N 1 0 319.758 4.344 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C2CCC2)C2CCCCC2)cc1C#N ZINC001179015944 1049121911 /nfs/dbraw/zinc/12/19/11/1049121911.db2.gz RORDXJJLIMVCJT-FQEVSTJZSA-N 1 0 312.457 4.405 20 30 DIEDRO C=CCC[C@H]([NH2+]CCOC1CC1)c1ccc(C(F)(F)F)cc1 ZINC001192635549 1049124983 /nfs/dbraw/zinc/12/49/83/1049124983.db2.gz OTQCIEBAWFZPLZ-INIZCTEOSA-N 1 0 313.363 4.481 20 30 DIEDRO CC(C)([NH2+]CC#Cc1cccc(Cl)c1)c1cccc(F)c1 ZINC001192682410 1049129306 /nfs/dbraw/zinc/12/93/06/1049129306.db2.gz ZHAJCTVBGMCSIS-UHFFFAOYSA-N 1 0 301.792 4.356 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC001179142899 1049132026 /nfs/dbraw/zinc/13/20/26/1049132026.db2.gz OSBOZJMQKFNQET-SJLPKXTDSA-N 1 0 301.430 4.006 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc([Si](C)(C)C)cc2)C1 ZINC001179178358 1049135004 /nfs/dbraw/zinc/13/50/04/1049135004.db2.gz TVUQKIRNNNDXCJ-MSOLQXFVSA-N 1 0 301.550 4.109 20 30 DIEDRO C=CCOCCC[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001179168593 1049138255 /nfs/dbraw/zinc/13/82/55/1049138255.db2.gz DKJMDFZWFLSPTA-UHFFFAOYSA-N 1 0 315.388 4.300 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(OCC)c(OC)cc2F)CCCC1 ZINC001179159063 1049138565 /nfs/dbraw/zinc/13/85/65/1049138565.db2.gz HVRLBQPYQXOXEU-UHFFFAOYSA-N 1 0 307.409 4.212 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](CCC)c1cccc(C(F)(F)F)c1 ZINC001192911168 1049148451 /nfs/dbraw/zinc/14/84/51/1049148451.db2.gz ZXCGIFKWQJXFFT-HZPDHXFCSA-N 1 0 315.379 4.463 20 30 DIEDRO N#CCC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000775552609 1049148954 /nfs/dbraw/zinc/14/89/54/1049148954.db2.gz JACOHCUUKLGCAQ-MSOLQXFVSA-N 1 0 314.816 4.008 20 30 DIEDRO N#CCC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000775552618 1049149188 /nfs/dbraw/zinc/14/91/88/1049149188.db2.gz JACOHCUUKLGCAQ-ROUUACIJSA-N 1 0 314.816 4.008 20 30 DIEDRO C[Si](C)(C)C[N@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC001204372012 1049152987 /nfs/dbraw/zinc/15/29/87/1049152987.db2.gz VARHBGPSAVNQBE-UHFFFAOYSA-N 1 0 308.501 4.438 20 30 DIEDRO N#Cc1ccccc1CN(Cc1ccccn1)C1CCCCC1 ZINC001204372556 1049153050 /nfs/dbraw/zinc/15/30/50/1049153050.db2.gz GTIDRQWIFAOFBQ-UHFFFAOYSA-N 1 0 305.425 4.288 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC001204369700 1049154007 /nfs/dbraw/zinc/15/40/07/1049154007.db2.gz ZVBZFFACBIOAMV-XLIONFOSSA-N 1 0 319.489 4.239 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@]23C[C@@H]2CCCC3)ccc1OC ZINC001179348098 1049154101 /nfs/dbraw/zinc/15/41/01/1049154101.db2.gz OFVSZELJWKECBA-LPHOPBHVSA-N 1 0 301.430 4.072 20 30 DIEDRO N#Cc1cc(C[NH2+]Cc2cn(C(F)F)c3ccccc23)cs1 ZINC001179325402 1049157504 /nfs/dbraw/zinc/15/75/04/1049157504.db2.gz XUBPWWGWVLLUKW-UHFFFAOYSA-N 1 0 317.364 4.259 20 30 DIEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001193069066 1049171740 /nfs/dbraw/zinc/17/17/40/1049171740.db2.gz LLTRMYMTVCWYBK-NRFANRHFSA-N 1 0 320.436 4.034 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc(F)c1C#N ZINC001204479818 1049172496 /nfs/dbraw/zinc/17/24/96/1049172496.db2.gz LTGUTFVHOBZHCZ-BBRMVZONSA-N 1 0 312.363 4.214 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc(F)c1C#N ZINC001204479824 1049172845 /nfs/dbraw/zinc/17/28/45/1049172845.db2.gz LTGUTFVHOBZHCZ-XJKSGUPXSA-N 1 0 312.363 4.214 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cccc(O)c1Br ZINC001179516301 1049173127 /nfs/dbraw/zinc/17/31/27/1049173127.db2.gz WUESJSCGBQSZKM-UHFFFAOYSA-N 1 0 312.251 4.237 20 30 DIEDRO Cc1c(F)cccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001204513728 1049178003 /nfs/dbraw/zinc/17/80/03/1049178003.db2.gz LLXMDFLFZMGVSX-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO Cc1c(F)cccc1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001204510746 1049178927 /nfs/dbraw/zinc/17/89/27/1049178927.db2.gz NRFNICGPKVEIIJ-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO CCSc1ccccc1CC[NH2+]Cc1ccc(C#N)cc1F ZINC001179538088 1049179215 /nfs/dbraw/zinc/17/92/15/1049179215.db2.gz XTQUMSVDRBERSG-UHFFFAOYSA-N 1 0 314.429 4.142 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCc2ccccc2C1 ZINC001204516930 1049181175 /nfs/dbraw/zinc/18/11/75/1049181175.db2.gz YCSWGIBEPBPALQ-HXUWFJFHSA-N 1 0 322.427 4.467 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(C)c(Br)c2C)CCC1 ZINC001179651250 1049186956 /nfs/dbraw/zinc/18/69/56/1049186956.db2.gz KMFFHNCEXNMJPF-UHFFFAOYSA-N 1 0 306.247 4.102 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cc(Cl)cs1 ZINC001179637135 1049190216 /nfs/dbraw/zinc/19/02/16/1049190216.db2.gz TXVMKZMAQUHSMB-UHFFFAOYSA-N 1 0 304.846 4.384 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c1 ZINC001179626693 1049190481 /nfs/dbraw/zinc/19/04/81/1049190481.db2.gz LJMRUINCCLXYGG-YLJYHZDGSA-N 1 0 318.505 4.218 20 30 DIEDRO C=C(C)CC[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000775586677 1049192318 /nfs/dbraw/zinc/19/23/18/1049192318.db2.gz NGRATNNEFAMNIK-QGZVFWFLSA-N 1 0 322.493 4.064 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)n1 ZINC001179681648 1049197360 /nfs/dbraw/zinc/19/73/60/1049197360.db2.gz QYUJGHIWPVWCCT-JKSUJKDBSA-N 1 0 311.454 4.221 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2nc(-c3ccccc3)ccc2C#N)cc1 ZINC001204607084 1049197514 /nfs/dbraw/zinc/19/75/14/1049197514.db2.gz SNUANSIKGRUBDZ-UHFFFAOYSA-N 1 0 313.404 4.349 20 30 DIEDRO CCCCCCCCOc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001204646013 1049210430 /nfs/dbraw/zinc/21/04/30/1049210430.db2.gz GSJVKPVRNBMCAZ-UHFFFAOYSA-N 1 0 318.505 4.349 20 30 DIEDRO CC(C)Cc1ccccc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000858204528 1049225104 /nfs/dbraw/zinc/22/51/04/1049225104.db2.gz NJQIAIBPHBLBAW-KRWDZBQOSA-N 1 0 322.452 4.466 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2cc(Cl)cnc2C#N)cc1 ZINC001204690561 1049226316 /nfs/dbraw/zinc/22/63/16/1049226316.db2.gz BIUXZIIJWYYQKS-UHFFFAOYSA-N 1 0 314.820 4.238 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001193554779 1049230100 /nfs/dbraw/zinc/23/01/00/1049230100.db2.gz UMKBPQAHEZSRGS-MRXNPFEDSA-N 1 0 312.498 4.336 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)CCC1 ZINC001193617596 1049230482 /nfs/dbraw/zinc/23/04/82/1049230482.db2.gz VWPRVQFLUCWHJG-OAQYLSRUSA-N 1 0 324.468 4.372 20 30 DIEDRO Cc1cc(C#N)cc(C#N)c1Nc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001204700699 1049232358 /nfs/dbraw/zinc/23/23/58/1049232358.db2.gz XVPPYCNKAAWXIK-UHFFFAOYSA-N 1 0 318.424 4.370 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001179951501 1049235295 /nfs/dbraw/zinc/23/52/95/1049235295.db2.gz KENKUIJNSOQPIB-RLLQIKCJSA-N 1 0 314.473 4.295 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1Cc2ccccc2C1 ZINC001179913934 1049239701 /nfs/dbraw/zinc/23/97/01/1049239701.db2.gz NNHFALOFOLESHM-UHFFFAOYSA-N 1 0 304.437 4.184 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)n1 ZINC001179973554 1049241979 /nfs/dbraw/zinc/24/19/79/1049241979.db2.gz CFLGQZAAWKWDES-HJBMFWNLSA-N 1 0 317.436 4.411 20 30 DIEDRO CC[N@H+](Cc1c(OC)cccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC001204763296 1049256014 /nfs/dbraw/zinc/25/60/14/1049256014.db2.gz LOBNTWHSTHBXGK-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000858446312 1049259386 /nfs/dbraw/zinc/25/93/86/1049259386.db2.gz DIGMRLCLKQLMSO-OAHLLOKOSA-N 1 0 316.445 4.286 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1nc(Br)cs1 ZINC000858447977 1049260388 /nfs/dbraw/zinc/26/03/88/1049260388.db2.gz UAQXPZFRRRYKEL-SECBINFHSA-N 1 0 303.269 4.159 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001180030966 1049262244 /nfs/dbraw/zinc/26/22/44/1049262244.db2.gz RPIBHAPYKWOMQN-OAHLLOKOSA-N 1 0 300.446 4.162 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCC)c1 ZINC001204803105 1049268719 /nfs/dbraw/zinc/26/87/19/1049268719.db2.gz IYIXTYLWCYONFB-UHFFFAOYSA-N 1 0 308.425 4.369 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)ccc1C#N ZINC001180067883 1049271684 /nfs/dbraw/zinc/27/16/84/1049271684.db2.gz GYUMXVNMKOYJOA-HXUWFJFHSA-N 1 0 320.436 4.082 20 30 DIEDRO CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC001180132833 1049279095 /nfs/dbraw/zinc/27/90/95/1049279095.db2.gz NJGIMRVOQSHJGM-KPFFTGBYSA-N 1 0 312.457 4.148 20 30 DIEDRO N#CC1(CC[N@H+]2CC[C@H](c3cccc(F)c3)C2)CCCCC1 ZINC001193913984 1049282020 /nfs/dbraw/zinc/28/20/20/1049282020.db2.gz PNDVKPHXHVBJON-KRWDZBQOSA-N 1 0 300.421 4.479 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)Cc1c(Cl)oc2ccccc21 ZINC001193920190 1049284066 /nfs/dbraw/zinc/28/40/66/1049284066.db2.gz KFFUDKGOQANGCU-UHFFFAOYSA-N 1 0 306.837 4.026 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCCC2(C)C)cc1OC ZINC001180121924 1049292480 /nfs/dbraw/zinc/29/24/80/1049292480.db2.gz YKNKDRCVNDVYOR-UHFFFAOYSA-N 1 0 309.837 4.288 20 30 DIEDRO C=CC[N@@H+](CCCCc1ccc(Cl)c(Cl)c1)CCOC ZINC001193988976 1049293168 /nfs/dbraw/zinc/29/31/68/1049293168.db2.gz IYTVVKGDTLJXGL-UHFFFAOYSA-N 1 0 316.272 4.451 20 30 DIEDRO C[N@H+](CCCOc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001204881337 1049294499 /nfs/dbraw/zinc/29/44/99/1049294499.db2.gz OXFKKJTZLXVUQV-UHFFFAOYSA-N 1 0 320.436 4.143 20 30 DIEDRO CCCCCCCOC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001194004074 1049297344 /nfs/dbraw/zinc/29/73/44/1049297344.db2.gz HZLAMLQPTVNIEN-UHFFFAOYSA-N 1 0 310.482 4.044 20 30 DIEDRO CCCCCCCOC(=O)NC1CC[NH+](C(CC)CC)CC1 ZINC001194020175 1049300626 /nfs/dbraw/zinc/30/06/26/1049300626.db2.gz ZHZSUUMWUNNLEU-UHFFFAOYSA-N 1 0 312.498 4.336 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC001180161764 1049303263 /nfs/dbraw/zinc/30/32/63/1049303263.db2.gz PJPPVLOMVUJIRL-CYBMUJFWSA-N 1 0 311.816 4.332 20 30 DIEDRO C=C[C@](C)(O)C[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001252541613 1049320418 /nfs/dbraw/zinc/32/04/18/1049320418.db2.gz PKEPVOKHYSLXSR-INIZCTEOSA-N 1 0 314.256 4.110 20 30 DIEDRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001180249539 1049322786 /nfs/dbraw/zinc/32/27/86/1049322786.db2.gz QOHOITTWYGJMPB-LAUBAEHRSA-N 1 0 324.468 4.394 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)cc1C#N ZINC000859233060 1049323470 /nfs/dbraw/zinc/32/34/70/1049323470.db2.gz CVSXSHGYTGLQLP-NRFANRHFSA-N 1 0 320.436 4.124 20 30 DIEDRO Cc1ccccc1SC[C@H](C)C[NH+]1CCC(C)(C#N)CC1 ZINC000859241912 1049323955 /nfs/dbraw/zinc/32/39/55/1049323955.db2.gz SBMHJOMGDMWYQW-OAHLLOKOSA-N 1 0 302.487 4.349 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC001204968879 1049325514 /nfs/dbraw/zinc/32/55/14/1049325514.db2.gz MHUYIYWKXCEZHU-NWDGAFQWSA-N 1 0 312.251 4.463 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]2C(C)C)cc1OC ZINC001204976728 1049329227 /nfs/dbraw/zinc/32/92/27/1049329227.db2.gz RIGGGKNOKVQXSF-OAHLLOKOSA-N 1 0 309.837 4.144 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)CCc1ccc(F)cc1F ZINC001180280795 1049335046 /nfs/dbraw/zinc/33/50/46/1049335046.db2.gz MWIFGIRIRFHFEM-UHFFFAOYSA-N 1 0 301.380 4.238 20 30 DIEDRO CCCCCCCC[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC001194142006 1049337681 /nfs/dbraw/zinc/33/76/81/1049337681.db2.gz IHRCXPQYKRUJDD-HXUWFJFHSA-N 1 0 302.506 4.206 20 30 DIEDRO C#CC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCc2ccccc21 ZINC001180297013 1049340234 /nfs/dbraw/zinc/34/02/34/1049340234.db2.gz OSHTTXISUWRGFY-ILWGZMRPSA-N 1 0 301.433 4.413 20 30 DIEDRO C=CC[N@H+](C/C=C/c1ccc(F)cc1F)CCc1ccco1 ZINC001180331803 1049347407 /nfs/dbraw/zinc/34/74/07/1049347407.db2.gz JSNTWVBDLCFCEO-HWKANZROSA-N 1 0 303.352 4.302 20 30 DIEDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)cc1 ZINC001205032195 1049348148 /nfs/dbraw/zinc/34/81/48/1049348148.db2.gz CKAPZDMIZPMEOU-UHFFFAOYSA-N 1 0 321.468 4.345 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc2ncsc2c1 ZINC000485854733 1049355148 /nfs/dbraw/zinc/35/51/48/1049355148.db2.gz XJNUMNAYFBILRM-ZDUSSCGKSA-N 1 0 310.397 4.138 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC001180412792 1049360774 /nfs/dbraw/zinc/36/07/74/1049360774.db2.gz HLWKUKKOLOJMIY-KRWDZBQOSA-N 1 0 311.454 4.023 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Br)c2ccccc2c1)C1CC1 ZINC001194435447 1049376516 /nfs/dbraw/zinc/37/65/16/1049376516.db2.gz HVWUERPRCYBQOJ-UHFFFAOYSA-N 1 0 314.226 4.200 20 30 DIEDRO CCC1([NH2+]Cc2ccc(C#N)cc2Br)CCCC1 ZINC001194505686 1049384893 /nfs/dbraw/zinc/38/48/93/1049384893.db2.gz SWZIGRNCNDFERU-UHFFFAOYSA-N 1 0 307.235 4.133 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1F ZINC001205205594 1049410919 /nfs/dbraw/zinc/41/09/19/1049410919.db2.gz BETGFKROZZRCBY-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@H]2COc2ccccc2)CCC1 ZINC001194683478 1049412717 /nfs/dbraw/zinc/41/27/17/1049412717.db2.gz OHDGSCJLJHHION-SFHVURJKSA-N 1 0 312.457 4.394 20 30 DIEDRO C=C[C@@](C)(O)C[N@@H+](Cc1ccc(Cl)cc1Cl)C(C)C ZINC001252555952 1049413703 /nfs/dbraw/zinc/41/37/03/1049413703.db2.gz BLUWBSYXHRDCSB-OAHLLOKOSA-N 1 0 302.245 4.141 20 30 DIEDRO CCCCCCCCOC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC001194752851 1049417578 /nfs/dbraw/zinc/41/75/78/1049417578.db2.gz QSRIQDZZMKJPBG-UHFFFAOYSA-N 1 0 324.509 4.480 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC001194754614 1049424345 /nfs/dbraw/zinc/42/43/45/1049424345.db2.gz GULDHXMLBNMDLQ-HXUWFJFHSA-N 1 0 311.469 4.254 20 30 DIEDRO C=CCC[N@H+]1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001194808173 1049432084 /nfs/dbraw/zinc/43/20/84/1049432084.db2.gz XWCPLNPTSRHZMJ-OKILXGFUSA-N 1 0 312.379 4.181 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000775613173 1049436852 /nfs/dbraw/zinc/43/68/52/1049436852.db2.gz KXYSUPULRAEJMC-GOSISDBHSA-N 1 0 301.455 4.250 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000907891633 1049437709 /nfs/dbraw/zinc/43/77/09/1049437709.db2.gz IFYQEGLANABHBN-UHFFFAOYSA-N 1 0 312.413 4.010 20 30 DIEDRO C=C(C)CC[N@@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000775616855 1049438592 /nfs/dbraw/zinc/43/85/92/1049438592.db2.gz FMHGRONJCCGWDA-UHFFFAOYSA-N 1 0 310.482 4.064 20 30 DIEDRO N#Cc1ccc(OCCC[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000775617582 1049443048 /nfs/dbraw/zinc/44/30/48/1049443048.db2.gz IDPZOLSIHUIKES-GOSISDBHSA-N 1 0 312.438 4.130 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001181134098 1049444651 /nfs/dbraw/zinc/44/46/51/1049444651.db2.gz CSYGKKGMSYECPS-AOCRQIFASA-N 1 0 310.526 4.220 20 30 DIEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001194953765 1049453665 /nfs/dbraw/zinc/45/36/65/1049453665.db2.gz UCFNOWWBCFOCLR-SUMWQHHRSA-N 1 0 306.837 4.301 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2ccc(OC)c(OC)c2F)CCCC1(C)C ZINC001181296641 1049459251 /nfs/dbraw/zinc/45/92/51/1049459251.db2.gz BLVXSRACGYAJLX-MRXNPFEDSA-N 1 0 321.436 4.410 20 30 DIEDRO Cc1cccc2c1C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC001205399274 1049460601 /nfs/dbraw/zinc/46/06/01/1049460601.db2.gz CBBXOLZBAPJVJE-UHFFFAOYSA-N 1 0 302.421 4.109 20 30 DIEDRO C=C[C@@H]1CCCCN1Cc1cc(C)c(F)cc1Br ZINC001181314697 1049464426 /nfs/dbraw/zinc/46/44/26/1049464426.db2.gz GQGRJAWJDXXFJO-CYBMUJFWSA-N 1 0 312.226 4.437 20 30 DIEDRO CCCCC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000486795512 1049474820 /nfs/dbraw/zinc/47/48/20/1049474820.db2.gz HLNVWVKZSJYMEH-KRWDZBQOSA-N 1 0 324.428 4.153 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)c1 ZINC000486801529 1049476414 /nfs/dbraw/zinc/47/64/14/1049476414.db2.gz UVNJKKKCCCHZFX-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001195232563 1049492601 /nfs/dbraw/zinc/49/26/01/1049492601.db2.gz FHHOWTLFSAWTGL-GOSISDBHSA-N 1 0 321.505 4.404 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001181622228 1049497527 /nfs/dbraw/zinc/49/75/27/1049497527.db2.gz RZPGIOQGMIPNCQ-UHFFFAOYSA-N 1 0 309.837 4.353 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(Cc3ccncc3)CC2)cc1 ZINC001204303134 1049498881 /nfs/dbraw/zinc/49/88/81/1049498881.db2.gz BBMASWNYHZQYBI-UHFFFAOYSA-N 1 0 322.452 4.101 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1Cl ZINC001195222237 1049500053 /nfs/dbraw/zinc/50/00/53/1049500053.db2.gz AURHPWFVGKAWKG-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2OC)cc1 ZINC001204303431 1049501681 /nfs/dbraw/zinc/50/16/81/1049501681.db2.gz HCAJDIXOFHOXAW-MRXNPFEDSA-N 1 0 311.425 4.453 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@H]1CC1(C)C ZINC001195268469 1049504948 /nfs/dbraw/zinc/50/49/48/1049504948.db2.gz FHDBCNTXHGUPKD-HIFRSBDPSA-N 1 0 321.262 4.235 20 30 DIEDRO CCN(Cc1c(F)cccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000487000067 1049505634 /nfs/dbraw/zinc/50/56/34/1049505634.db2.gz KBLIUVZDXFEJAD-ZDUSSCGKSA-N 1 0 300.352 4.420 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2F)s1 ZINC001205583788 1049505628 /nfs/dbraw/zinc/50/56/28/1049505628.db2.gz VBOYWADHNOJGGS-ZDUSSCGKSA-N 1 0 302.418 4.490 20 30 DIEDRO Cc1ccc(F)c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001205616183 1049512425 /nfs/dbraw/zinc/51/24/25/1049512425.db2.gz FDLTZOUEIVFWSY-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCOCCc1ccccc1 ZINC001195358390 1049518573 /nfs/dbraw/zinc/51/85/73/1049518573.db2.gz NYFYLRQGORQQNG-SFHVURJKSA-N 1 0 322.452 4.200 20 30 DIEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC001195368577 1049520202 /nfs/dbraw/zinc/52/02/02/1049520202.db2.gz YEKRGBCDJILRLP-HOCLYGCPSA-N 1 0 310.363 4.262 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC001181828144 1049526961 /nfs/dbraw/zinc/52/69/61/1049526961.db2.gz RCJZBPSUDFDJNG-MHORFTMASA-N 1 0 319.493 4.105 20 30 DIEDRO C=CCCCC[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001195423745 1049530174 /nfs/dbraw/zinc/53/01/74/1049530174.db2.gz FRTCFHOAJZQBRT-BZUAXINKSA-N 1 0 310.482 4.061 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)cc1 ZINC001181879804 1049537528 /nfs/dbraw/zinc/53/75/28/1049537528.db2.gz JKKCVNKADXYIMS-PMACEKPBSA-N 1 0 304.437 4.187 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001181891941 1049541187 /nfs/dbraw/zinc/54/11/87/1049541187.db2.gz HHSOBQZKAGGPKK-DDBAPUKQSA-N 1 0 305.849 4.299 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000487282305 1049543498 /nfs/dbraw/zinc/54/34/98/1049543498.db2.gz WEDKIUWQEWOATH-NSHDSACASA-N 1 0 309.335 4.150 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CCCC(C)(C)C1 ZINC001205751812 1049551036 /nfs/dbraw/zinc/55/10/36/1049551036.db2.gz DEXMSJFGTZNDCH-MRXNPFEDSA-N 1 0 305.462 4.366 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)s1 ZINC001195712736 1049561484 /nfs/dbraw/zinc/56/14/84/1049561484.db2.gz OBFMSIMMOLDUMK-GUDVDZBRSA-N 1 0 324.449 4.114 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cccc2c(OC)cccc12)c1ccc(F)cc1 ZINC001182021541 1049564195 /nfs/dbraw/zinc/56/41/95/1049564195.db2.gz XGCRAZHJORPYOC-FQEVSTJZSA-N 1 0 319.379 4.452 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(C(=O)OC)ccc2Cl)CCCC1 ZINC001205789644 1049564847 /nfs/dbraw/zinc/56/48/47/1049564847.db2.gz QIHIOTOZJSPPMW-UHFFFAOYSA-N 1 0 321.848 4.353 20 30 DIEDRO C=CCCn1cc(C[N@@H+](CCCC)[C@@H]2CCC[C@H](C)C2)nn1 ZINC001182072524 1049570439 /nfs/dbraw/zinc/57/04/39/1049570439.db2.gz PYXHIDKDIVHFBE-FUHWJXTLSA-N 1 0 304.482 4.035 20 30 DIEDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)c2ccccc21 ZINC000863580535 1049572177 /nfs/dbraw/zinc/57/21/77/1049572177.db2.gz MIVIWHWMFCHGGN-PCCBWWKXSA-N 1 0 320.436 4.066 20 30 DIEDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001195851874 1049574180 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C=CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195946741 1049598951 /nfs/dbraw/zinc/59/89/51/1049598951.db2.gz MVSKYFSPDHSTRL-LRDDRELGSA-N 1 0 314.256 4.315 20 30 DIEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000775677346 1049601591 /nfs/dbraw/zinc/60/15/91/1049601591.db2.gz BWYJJOOABQJZDH-XJKSGUPXSA-N 1 0 306.837 4.301 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)Cc2ccc(Cl)cc2)cc1 ZINC001205917409 1049601815 /nfs/dbraw/zinc/60/18/15/1049601815.db2.gz KTUDCGPTBPDKCV-OAHLLOKOSA-N 1 0 313.828 4.073 20 30 DIEDRO N#Cc1ccc(C=CNc2c[nH+]ccc2N2CCCCC2)cc1 ZINC001203303315 1049603888 /nfs/dbraw/zinc/60/38/88/1049603888.db2.gz QABAAVANYMHLAF-DHZHZOJOSA-N 1 0 304.397 4.026 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC001196056151 1049606017 /nfs/dbraw/zinc/60/60/17/1049606017.db2.gz JFYHLWCKOXTUOB-HIFRSBDPSA-N 1 0 323.383 4.275 20 30 DIEDRO CC1(C)CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC(C)(C)C1 ZINC001195994829 1049606660 /nfs/dbraw/zinc/60/66/60/1049606660.db2.gz IBTNYXOOWMZPPU-UHFFFAOYSA-N 1 0 315.417 4.115 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001196058176 1049607579 /nfs/dbraw/zinc/60/75/79/1049607579.db2.gz YBTXUUCBKOAPGI-KGLIPLIRSA-N 1 0 309.356 4.233 20 30 DIEDRO C[C@@H](C[NH2+]C(C)(C)c1cccc(C#N)c1)COCc1ccccc1 ZINC001196039727 1049608788 /nfs/dbraw/zinc/60/87/88/1049608788.db2.gz QCNIUFLQGHYFKR-KRWDZBQOSA-N 1 0 322.452 4.236 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001205974139 1049614338 /nfs/dbraw/zinc/61/43/38/1049614338.db2.gz MGIJXRUKAXVHNR-FZKQIMNGSA-N 1 0 301.792 4.374 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000781339521 1049617125 /nfs/dbraw/zinc/61/71/25/1049617125.db2.gz NDKIYJQSWPRPRF-UHFFFAOYSA-N 1 0 314.376 4.424 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1F ZINC001182326244 1049626093 /nfs/dbraw/zinc/62/60/93/1049626093.db2.gz GRMCJHZBJFECSW-SFHVURJKSA-N 1 0 301.380 4.284 20 30 DIEDRO C=CC[N@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C(C)(C)C ZINC001196197698 1049628797 /nfs/dbraw/zinc/62/87/97/1049628797.db2.gz AAUYTHAQBFMSQQ-UHFFFAOYSA-N 1 0 311.425 4.068 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC001182357284 1049634983 /nfs/dbraw/zinc/63/49/83/1049634983.db2.gz SRBSBMYMMLHOQY-UHFFFAOYSA-N 1 0 313.397 4.179 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC001182368699 1049636322 /nfs/dbraw/zinc/63/63/22/1049636322.db2.gz GOAMMWSYZPOMFN-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H](OCCC2CCCCC2)C1 ZINC001206040957 1049637575 /nfs/dbraw/zinc/63/75/75/1049637575.db2.gz IREXRBQWCBOWKX-HXUWFJFHSA-N 1 0 312.457 4.120 20 30 DIEDRO CC[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000774270950 1049640787 /nfs/dbraw/zinc/64/07/87/1049640787.db2.gz RMIPUNZWMWYFKF-WOJBJXKFSA-N 1 0 320.436 4.113 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001196322643 1049642311 /nfs/dbraw/zinc/64/23/11/1049642311.db2.gz PFPKCTPEHGGKDW-BBWFWOEESA-N 1 0 316.832 4.016 20 30 DIEDRO CCOc1ccc(O)c(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000119876688 1049642697 /nfs/dbraw/zinc/64/26/97/1049642697.db2.gz OLPDRCRFRNHWIE-OAHLLOKOSA-N 1 0 324.424 4.246 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC001196329061 1049643461 /nfs/dbraw/zinc/64/34/61/1049643461.db2.gz KSCZCXMWMAHXSJ-QGZVFWFLSA-N 1 0 313.401 4.011 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1OCCCC#N ZINC000119986419 1049649997 /nfs/dbraw/zinc/64/99/97/1049649997.db2.gz HJMUCISXBSTMLS-NVXWUHKLSA-N 1 0 316.445 4.046 20 30 DIEDRO N#Cc1ccc(C=CNc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC001203305225 1049651259 /nfs/dbraw/zinc/65/12/59/1049651259.db2.gz AQQJXBUQRGWZPE-VAWYXSNFSA-N 1 0 303.409 4.237 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(CCCC)cc2)no1 ZINC001206094318 1049651882 /nfs/dbraw/zinc/65/18/82/1049651882.db2.gz GYQWUPFBDNXEKM-UHFFFAOYSA-N 1 0 311.429 4.188 20 30 DIEDRO C#C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cc1 ZINC001206091806 1049652060 /nfs/dbraw/zinc/65/20/60/1049652060.db2.gz SQKXBKYGNBXXLR-DLBZAZTESA-N 1 0 303.833 4.096 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc3sccc3c2)no1 ZINC001206094659 1049652221 /nfs/dbraw/zinc/65/22/21/1049652221.db2.gz SUDGMOSAEMAYJX-UHFFFAOYSA-N 1 0 311.410 4.060 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2CC)cc1 ZINC000774477127 1049671882 /nfs/dbraw/zinc/67/18/82/1049671882.db2.gz KFSHORCAUJAIEH-JKSUJKDBSA-N 1 0 308.425 4.068 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(-c2ccco2)s1 ZINC001182498660 1049679905 /nfs/dbraw/zinc/67/99/05/1049679905.db2.gz KEGKDOJZAHWVGW-ZDUSSCGKSA-N 1 0 323.421 4.468 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000794796404 1049696982 /nfs/dbraw/zinc/69/69/82/1049696982.db2.gz KEPLFLKJSLKDQE-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO C[C@@H](C[NH2+]CC1(C#N)CCCC1)c1cccc(Br)c1 ZINC001182684860 1049698710 /nfs/dbraw/zinc/69/87/10/1049698710.db2.gz ODHZPAJWKQNBKK-ZDUSSCGKSA-N 1 0 321.262 4.226 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC001206288667 1049700567 /nfs/dbraw/zinc/70/05/67/1049700567.db2.gz WSBAXVMXPKFOKO-IBGZPJMESA-N 1 0 318.464 4.423 20 30 DIEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC001196910055 1049704337 /nfs/dbraw/zinc/70/43/37/1049704337.db2.gz ZMMBDYPKXZGJQG-UHFFFAOYSA-N 1 0 311.400 4.098 20 30 DIEDRO N#C[C@@H](OCC[NH+]1CCCC1)c1cccc(Oc2ccccc2)c1 ZINC001206309179 1049707346 /nfs/dbraw/zinc/70/73/46/1049707346.db2.gz MCACOGYGWUULPY-HXUWFJFHSA-N 1 0 322.408 4.156 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC001182795573 1049710153 /nfs/dbraw/zinc/71/01/53/1049710153.db2.gz GKBJQEILFWEVOC-IAGOWNOFSA-N 1 0 324.509 4.071 20 30 DIEDRO CC(C)[PH+](CCNC(=O)[C@H](C)c1ccc(C#N)cc1)C(C)C ZINC001182799685 1049711643 /nfs/dbraw/zinc/71/16/43/1049711643.db2.gz KMGFHGNSZAPCAD-OAHLLOKOSA-N 1 0 318.401 4.077 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC001182796634 1049712197 /nfs/dbraw/zinc/71/21/97/1049712197.db2.gz XHHNSDFICKCSJO-INIZCTEOSA-N 1 0 301.478 4.256 20 30 DIEDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC001206328278 1049713433 /nfs/dbraw/zinc/71/34/33/1049713433.db2.gz IPHKBFDJPFGNIS-IDOMTICXSA-N 1 0 312.457 4.246 20 30 DIEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC001206328268 1049713801 /nfs/dbraw/zinc/71/38/01/1049713801.db2.gz IJADGOUIRLVMNN-LPTQZCDUSA-N 1 0 320.436 4.301 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001206421358 1049732255 /nfs/dbraw/zinc/73/22/55/1049732255.db2.gz ZNUFDBPIVFDCEE-QXSJWSMHSA-N 1 0 310.482 4.013 20 30 DIEDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001197295792 1049734897 /nfs/dbraw/zinc/73/48/97/1049734897.db2.gz HYSFAPSRIJYEEK-INIZCTEOSA-N 1 0 307.890 4.155 20 30 DIEDRO CCc1cc(C(=O)NCC[PH+](C(C)C)C(C)C)ccc1C#N ZINC001197308382 1049736917 /nfs/dbraw/zinc/73/69/17/1049736917.db2.gz SDACQFMJKRWYRT-UHFFFAOYSA-N 1 0 318.401 4.149 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924932 1049751249 /nfs/dbraw/zinc/75/12/49/1049751249.db2.gz XUNIBKMXBMVPRM-HNNXBMFYSA-N 1 0 324.424 4.061 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1nccn1C ZINC001206523928 1049751270 /nfs/dbraw/zinc/75/12/70/1049751270.db2.gz VXBKJSBYQPGZEZ-MJGOQNOKSA-N 1 0 311.473 4.428 20 30 DIEDRO C[C@H]1C[N@H+](Cc2csc(C#N)c2)CCc2ccc(Cl)cc21 ZINC001206530708 1049751622 /nfs/dbraw/zinc/75/16/22/1049751622.db2.gz WGCXZLLPHAWJCA-LBPRGKRZSA-N 1 0 316.857 4.435 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)CCc2ccc(Cl)cc21 ZINC001206530707 1049751808 /nfs/dbraw/zinc/75/18/08/1049751808.db2.gz WGCXZLLPHAWJCA-GFCCVEGCSA-N 1 0 316.857 4.435 20 30 DIEDRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001197497600 1049756945 /nfs/dbraw/zinc/75/69/45/1049756945.db2.gz UIERSGPFMOAUFW-OAHLLOKOSA-N 1 0 324.399 4.086 20 30 DIEDRO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001197497599 1049757631 /nfs/dbraw/zinc/75/76/31/1049757631.db2.gz UIERSGPFMOAUFW-HNNXBMFYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1CCCC(=O)Nc1c(C)cccc1C ZINC000489433436 1049757771 /nfs/dbraw/zinc/75/77/71/1049757771.db2.gz UHPSENCBKGWTEN-QGZVFWFLSA-N 1 0 300.446 4.063 20 30 DIEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000489470490 1049759846 /nfs/dbraw/zinc/75/98/46/1049759846.db2.gz FRYYMQAXQUNORK-LJQANCHMSA-N 1 0 308.425 4.201 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC001206597844 1049766284 /nfs/dbraw/zinc/76/62/84/1049766284.db2.gz KWYOQAKINCJEKS-SFHVURJKSA-N 1 0 309.457 4.277 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1 ZINC001206613084 1049769616 /nfs/dbraw/zinc/76/96/16/1049769616.db2.gz REVQACUIDSPJFQ-HNNXBMFYSA-N 1 0 310.482 4.158 20 30 DIEDRO CCOc1cc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)ccc1O ZINC000489741536 1049780886 /nfs/dbraw/zinc/78/08/86/1049780886.db2.gz MHSWWALZTNMFAF-HNNXBMFYSA-N 1 0 324.424 4.246 20 30 DIEDRO COc1cc(C)ccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001206762715 1049794333 /nfs/dbraw/zinc/79/43/33/1049794333.db2.gz PMQYYKIXMURGGZ-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO C=CCC(C)(C)CNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000489982873 1049794626 /nfs/dbraw/zinc/79/46/26/1049794626.db2.gz ZFNWZMHXPKHETC-UHFFFAOYSA-N 1 0 316.489 4.249 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+](C)C[C@H]2CC2(C)C)cc1OC ZINC001206810489 1049805891 /nfs/dbraw/zinc/80/58/91/1049805891.db2.gz SISVOACWWGONBG-CQSZACIVSA-N 1 0 323.864 4.391 20 30 DIEDRO CCCC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001207034758 1049822473 /nfs/dbraw/zinc/82/24/73/1049822473.db2.gz JXZNLNSJASKKBS-IAGOWNOFSA-N 1 0 313.489 4.331 20 30 DIEDRO CC[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)C1CCCC1 ZINC001207035859 1049822957 /nfs/dbraw/zinc/82/29/57/1049822957.db2.gz SHVCJHBGRCWUHT-IBGZPJMESA-N 1 0 311.473 4.085 20 30 DIEDRO CCCC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001207034757 1049823387 /nfs/dbraw/zinc/82/33/87/1049823387.db2.gz JXZNLNSJASKKBS-DLBZAZTESA-N 1 0 313.489 4.331 20 30 DIEDRO CC[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)C1CCCC1 ZINC001207035860 1049823748 /nfs/dbraw/zinc/82/37/48/1049823748.db2.gz SHVCJHBGRCWUHT-LJQANCHMSA-N 1 0 311.473 4.085 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207184747 1049853053 /nfs/dbraw/zinc/85/30/53/1049853053.db2.gz GELROPOCAYDBIV-IEBWSBKVSA-N 1 0 310.828 4.447 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207183804 1049854049 /nfs/dbraw/zinc/85/40/49/1049854049.db2.gz YYXBLPLZKDFJNJ-QUCCMNQESA-N 1 0 322.839 4.373 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207197421 1049859052 /nfs/dbraw/zinc/85/90/52/1049859052.db2.gz PUVACXYOAIYLHN-IEBWSBKVSA-N 1 0 310.828 4.447 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1-c1ccc(C)s1 ZINC000913429993 1049874424 /nfs/dbraw/zinc/87/44/24/1049874424.db2.gz IISDHFJEBVTKPG-UHFFFAOYSA-N 1 0 314.454 4.170 20 30 DIEDRO C=CC[N@@H+](CCc1c(Cl)ncnc1Cl)C1CCCCC1 ZINC001207332968 1049880701 /nfs/dbraw/zinc/88/07/01/1049880701.db2.gz PIVAJJZDDPVSDH-UHFFFAOYSA-N 1 0 314.260 4.147 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000491041926 1049881588 /nfs/dbraw/zinc/88/15/88/1049881588.db2.gz VFLLUUGXKSXMHO-JOCHJYFZSA-N 1 0 320.480 4.324 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000586778935 1049899153 /nfs/dbraw/zinc/89/91/53/1049899153.db2.gz CEWPOLWACGWKKL-VQSDEBNRSA-N 1 0 310.347 4.127 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791335 1049900020 /nfs/dbraw/zinc/90/00/20/1049900020.db2.gz ZIUVFCSEXZOPOO-CJNGLKHVSA-N 1 0 321.380 4.229 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1C#N ZINC001207535710 1049906961 /nfs/dbraw/zinc/90/69/61/1049906961.db2.gz LMVXMXLNJIJNRZ-NVXWUHKLSA-N 1 0 300.471 4.339 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001207593608 1049914713 /nfs/dbraw/zinc/91/47/13/1049914713.db2.gz XYMSULGLPPRPKD-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CCCC1CCCCC1)C2 ZINC001207608041 1049917334 /nfs/dbraw/zinc/91/73/34/1049917334.db2.gz MFRAOJMBXPSJRG-WOJBJXKFSA-N 1 0 321.505 4.173 20 30 DIEDRO C#CC[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C(C)C ZINC001207715815 1049929920 /nfs/dbraw/zinc/92/99/20/1049929920.db2.gz NSGSQCPTMNBKDE-UHFFFAOYSA-N 1 0 318.464 4.093 20 30 DIEDRO C#CCCCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000222288070 1049936171 /nfs/dbraw/zinc/93/61/71/1049936171.db2.gz YAWJXGLLONNWHG-HNNXBMFYSA-N 1 0 322.246 4.056 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1cc2ccc(C(=O)OC)cc2o1 ZINC001207763084 1049936148 /nfs/dbraw/zinc/93/61/48/1049936148.db2.gz KDYBYAWWFNURLU-INIZCTEOSA-N 1 0 315.413 4.096 20 30 DIEDRO FC(F)(F)c1cccc(CCC[NH+]2CCC(S)CC2)c1 ZINC001207845636 1049945764 /nfs/dbraw/zinc/94/57/64/1049945764.db2.gz HHNDOASUTXPJBZ-UHFFFAOYSA-N 1 0 303.393 4.032 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001207899214 1049949909 /nfs/dbraw/zinc/94/99/09/1049949909.db2.gz PXBHQLCFPXVMKT-UHFFFAOYSA-N 1 0 307.478 4.117 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cc(C#N)cs2)c1 ZINC000093492371 1049951146 /nfs/dbraw/zinc/95/11/46/1049951146.db2.gz IRXXHYVFCOLJTC-ZDUSSCGKSA-N 1 0 300.427 4.258 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(c2nncn2C)CC1 ZINC001207900155 1049951862 /nfs/dbraw/zinc/95/18/62/1049951862.db2.gz WPVFSIDERLYVKW-UHFFFAOYSA-N 1 0 318.509 4.301 20 30 DIEDRO C=CCCCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001207899600 1049953238 /nfs/dbraw/zinc/95/32/38/1049953238.db2.gz ICJHSVXIGWLNGK-RBUKOAKNSA-N 1 0 320.521 4.236 20 30 DIEDRO C[C@H](C[NH+]1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC001207911613 1049953395 /nfs/dbraw/zinc/95/33/95/1049953395.db2.gz FXMNQOMMZMVSBV-QGZVFWFLSA-N 1 0 320.436 4.205 20 30 DIEDRO CCCCCCC/C=C/CN1CC(N2CCC(F)(F)CC2)C1 ZINC001208117997 1049974215 /nfs/dbraw/zinc/97/42/15/1049974215.db2.gz AREILPCNOKOVFF-CMDGGOBGSA-N 1 0 314.464 4.318 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001208119167 1049975028 /nfs/dbraw/zinc/97/50/28/1049975028.db2.gz XJYSOIIHKYPULG-ZHACJKMWSA-N 1 0 321.509 4.033 20 30 DIEDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000588204791 1049975558 /nfs/dbraw/zinc/97/55/58/1049975558.db2.gz QQRFJFCTMINPOG-OXQOHEQNSA-N 1 0 319.452 4.466 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(N(CC)C(C)=O)CC1 ZINC001208124626 1049975698 /nfs/dbraw/zinc/97/56/98/1049975698.db2.gz WPQQWQKEUKDHNX-VAWYXSNFSA-N 1 0 308.510 4.236 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000588231359 1049976921 /nfs/dbraw/zinc/97/69/21/1049976921.db2.gz KJDDVGOQUHSDEN-MWLCHTKSSA-N 1 0 318.289 4.156 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000571936692 1049977647 /nfs/dbraw/zinc/97/76/47/1049977647.db2.gz FMVWTAQHPAZSBI-CYBMUJFWSA-N 1 0 314.351 4.146 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001208171683 1049981514 /nfs/dbraw/zinc/98/15/14/1049981514.db2.gz WZUZEIBDHSVGHG-RBSFLKMASA-N 1 0 305.359 4.369 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001208178184 1049982023 /nfs/dbraw/zinc/98/20/23/1049982023.db2.gz MHVCDEHIVPBNJA-MRXNPFEDSA-N 1 0 313.441 4.149 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(N(CC)C(=O)CC)CC2)CC1 ZINC001208178385 1049982343 /nfs/dbraw/zinc/98/23/43/1049982343.db2.gz BBDKEFPAWCZQMB-GOSISDBHSA-N 1 0 318.505 4.012 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(c3nc(CC)no3)CC2)CC1 ZINC001208177807 1049982370 /nfs/dbraw/zinc/98/23/70/1049982370.db2.gz GFVAZQMFEZIKDK-MRXNPFEDSA-N 1 0 315.461 4.114 20 30 DIEDRO CC(C)(CC[N@@H+]1CCc2ccc(C#N)cc2C1)c1ccccc1 ZINC001208663380 1049999884 /nfs/dbraw/zinc/99/98/84/1049999884.db2.gz JMMUWWQZUHXZMK-UHFFFAOYSA-N 1 0 304.437 4.284 20 30 DIEDRO N#C[C@@H]1CC[C@H](S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000572363092 1050001210 /nfs/dbraw/zinc/00/12/10/1050001210.db2.gz INLHMCOKDZZNOL-FGTMMUONSA-N 1 0 300.471 4.076 20 30 DIEDRO C[C@H](C[N@@H+]1CCC2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710081 1050005446 /nfs/dbraw/zinc/00/54/46/1050005446.db2.gz NSEDMYHEPGTZPK-KUHUBIRLSA-N 1 0 323.461 4.217 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCOCc1ccccc1 ZINC001208812591 1050011365 /nfs/dbraw/zinc/01/13/65/1050011365.db2.gz POCUYMDQBCUXPH-OWZKRDHZSA-N 1 0 312.457 4.140 20 30 DIEDRO CCC[N@@H+](CCC#N)CCCc1cccc(Br)c1 ZINC001208825788 1050012561 /nfs/dbraw/zinc/01/25/61/1050012561.db2.gz MSFUMVHVGHAHIV-UHFFFAOYSA-N 1 0 309.251 4.007 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)CCCc1cccc(C#N)c1 ZINC001208851173 1050017335 /nfs/dbraw/zinc/01/73/35/1050017335.db2.gz SNLKYQZHAIVFAB-MRXNPFEDSA-N 1 0 308.425 4.192 20 30 DIEDRO CC[N@H+](CCCc1cccc(C#N)c1)CCc1ccc(OC)cc1 ZINC001208854083 1050017505 /nfs/dbraw/zinc/01/75/05/1050017505.db2.gz JCXGWZFSARBLCL-UHFFFAOYSA-N 1 0 322.452 4.064 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC001208853873 1050017709 /nfs/dbraw/zinc/01/77/09/1050017709.db2.gz ZPOYTEIGHFOPBE-FQEVSTJZSA-N 1 0 308.400 4.467 20 30 DIEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001208853497 1050017805 /nfs/dbraw/zinc/01/78/05/1050017805.db2.gz OGNLFBURHPGAPA-NRFANRHFSA-N 1 0 304.437 4.055 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC001208856122 1050017898 /nfs/dbraw/zinc/01/78/98/1050017898.db2.gz AKPPZWGNFAEIOQ-SFHVURJKSA-N 1 0 308.400 4.119 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@H]2c2ccccc2F)c1 ZINC001208853490 1050017943 /nfs/dbraw/zinc/01/79/43/1050017943.db2.gz OAXLGNSGSUKLKM-FQEVSTJZSA-N 1 0 308.400 4.467 20 30 DIEDRO CCC[N@H+](CCCc1cnccc1C)Cc1ccc(C#N)cc1 ZINC000589158427 1050023384 /nfs/dbraw/zinc/02/33/84/1050023384.db2.gz QJDDWPYYPUFSFC-UHFFFAOYSA-N 1 0 307.441 4.107 20 30 DIEDRO N#CCC[N@H+](CC1CCN(c2ccccc2)CC1)C1CCCC1 ZINC001208914479 1050023306 /nfs/dbraw/zinc/02/33/06/1050023306.db2.gz NGZGHJJLABTRPR-UHFFFAOYSA-N 1 0 311.473 4.061 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC001208927618 1050023655 /nfs/dbraw/zinc/02/36/55/1050023655.db2.gz MYWLVJORRXCUFE-OAQYLSRUSA-N 1 0 304.437 4.370 20 30 DIEDRO CC[N@H+](CCc1ccc(C#N)cc1)Cc1c(F)cccc1Cl ZINC001208928366 1050025304 /nfs/dbraw/zinc/02/53/04/1050025304.db2.gz BFUUIPTUDYCVJS-UHFFFAOYSA-N 1 0 316.807 4.415 20 30 DIEDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001208929939 1050025951 /nfs/dbraw/zinc/02/59/51/1050025951.db2.gz VUWZOMRUGCMGRM-HXUWFJFHSA-N 1 0 320.436 4.084 20 30 DIEDRO COc1ccccc1C(C)(C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000589337799 1050027585 /nfs/dbraw/zinc/02/75/85/1050027585.db2.gz ZZEBXZOQCZCZEI-IBGZPJMESA-N 1 0 320.436 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)CC2 ZINC000589341700 1050028097 /nfs/dbraw/zinc/02/80/97/1050028097.db2.gz WWYCSJGJRRPVGE-RTWAWAEBSA-N 1 0 302.421 4.156 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(c3ccc(F)cc3)CCC1)CC2 ZINC000589342973 1050028352 /nfs/dbraw/zinc/02/83/52/1050028352.db2.gz YAUDUOUWGOOQRM-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC001209157006 1050040788 /nfs/dbraw/zinc/04/07/88/1050040788.db2.gz NHRUSFCDTROEOZ-KRWDZBQOSA-N 1 0 300.446 4.063 20 30 DIEDRO C=CCCC[N@@H+]1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001209161703 1050041170 /nfs/dbraw/zinc/04/11/70/1050041170.db2.gz BNNAKAFSAWQDAQ-UHFFFAOYSA-N 1 0 316.445 4.358 20 30 DIEDRO C=CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001209201808 1050043489 /nfs/dbraw/zinc/04/34/89/1050043489.db2.gz TXZQGYUKRYWYDN-IBGZPJMESA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCC[NH+]1CCC(C(=O)c2cnc3ccccc3c2)CC1 ZINC001209207970 1050044411 /nfs/dbraw/zinc/04/44/11/1050044411.db2.gz IWJVQIRPYFQLRH-UHFFFAOYSA-N 1 0 322.452 4.486 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1C(F)(F)F ZINC001209282675 1050048778 /nfs/dbraw/zinc/04/87/78/1050048778.db2.gz FURTUWITKMUXKR-XMQYKBBCSA-N 1 0 308.347 4.014 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(CCN(C(=O)OC)CC2)CC1 ZINC001209430662 1050057250 /nfs/dbraw/zinc/05/72/50/1050057250.db2.gz AHTLUXSQKSTEOA-UHFFFAOYSA-N 1 0 322.493 4.067 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001209429021 1050057363 /nfs/dbraw/zinc/05/73/63/1050057363.db2.gz RQCMZXWIOZZQAG-INIZCTEOSA-N 1 0 310.482 4.112 20 30 DIEDRO C=CCCCCC[NH+]1CCC(N(CC)C(=O)OC(C)(C)C)CC1 ZINC001209427511 1050057634 /nfs/dbraw/zinc/05/76/34/1050057634.db2.gz RBKYVROLDAPUNR-UHFFFAOYSA-N 1 0 324.509 4.454 20 30 DIEDRO C=CCCCCCC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC001209431621 1050058167 /nfs/dbraw/zinc/05/81/67/1050058167.db2.gz QXPCWVSHXLGUDU-SDNWHVSQSA-N 1 0 312.501 4.454 20 30 DIEDRO C=CCCCCCC[N@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001209435503 1050058528 /nfs/dbraw/zinc/05/85/28/1050058528.db2.gz LAHNFGAUHXZCNN-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCCCC[N@H+]1CCCN(c2ncccc2C)CC1 ZINC001209435334 1050058819 /nfs/dbraw/zinc/05/88/19/1050058819.db2.gz BAVFTSKJLCBBOQ-UHFFFAOYSA-N 1 0 301.478 4.039 20 30 DIEDRO C=CCCCCCC[N@H+]1CCC[C@]2(C[C@H](CCOC)CO2)C1 ZINC001209436405 1050059063 /nfs/dbraw/zinc/05/90/63/1050059063.db2.gz VUJJPWUWICJLNE-OALUTQOASA-N 1 0 309.494 4.031 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(NC(=O)CC(C)(C)C)CC1 ZINC001209440356 1050059077 /nfs/dbraw/zinc/05/90/77/1050059077.db2.gz IGLCLVHGPZCADK-UHFFFAOYSA-N 1 0 308.510 4.140 20 30 DIEDRO C=CCCCCCC[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001209436607 1050059372 /nfs/dbraw/zinc/05/93/72/1050059372.db2.gz WHKAWDYVMMCGQI-UHFFFAOYSA-N 1 0 302.462 4.199 20 30 DIEDRO C=CCCCCCC[NH+]1CC(c2ccc(C(=O)OC)cc2)C1 ZINC001209440183 1050059405 /nfs/dbraw/zinc/05/94/05/1050059405.db2.gz DKIPYVNBMCFARB-UHFFFAOYSA-N 1 0 301.430 4.009 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC001209439378 1050059626 /nfs/dbraw/zinc/05/96/26/1050059626.db2.gz NSPUMKOWEOWODK-UHFFFAOYSA-N 1 0 305.384 4.356 20 30 DIEDRO C=CCCCCCCCC[N@@H+]1CCC[C@]2(CCC(=O)N2)[C@@H]1CC ZINC001209442714 1050060054 /nfs/dbraw/zinc/06/00/54/1050060054.db2.gz COATVLWHOZPBAW-ICSRJNTNSA-N 1 0 320.521 4.426 20 30 DIEDRO C=CCCCCCCCC[N@@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001209446141 1050060101 /nfs/dbraw/zinc/06/01/01/1050060101.db2.gz SHRHREJWFLXAKQ-IBGZPJMESA-N 1 0 308.510 4.234 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(c2nc(C)no2)CC1 ZINC001209446234 1050060540 /nfs/dbraw/zinc/06/05/40/1050060540.db2.gz UCHLQYAPGDWORZ-UHFFFAOYSA-N 1 0 305.466 4.474 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000760762425 1050074378 /nfs/dbraw/zinc/07/43/78/1050074378.db2.gz MTYCXIWLZCTKBO-SFHVURJKSA-N 1 0 310.526 4.460 20 30 DIEDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000590246717 1050083112 /nfs/dbraw/zinc/08/31/12/1050083112.db2.gz JCBHXWWHLNBOHB-OAHLLOKOSA-N 1 0 308.425 4.128 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ccc(OC)c(C#N)c2)cc1 ZINC001209823426 1050089394 /nfs/dbraw/zinc/08/93/94/1050089394.db2.gz FERATLLHYSWSBE-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2cc(F)c(F)c(C#N)c2)cc1 ZINC001209824808 1050090081 /nfs/dbraw/zinc/09/00/81/1050090081.db2.gz RQWQPGYWDSAZCP-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ccc(C(C)=O)cc2C#N)cc1 ZINC001209824541 1050090109 /nfs/dbraw/zinc/09/01/09/1050090109.db2.gz MSYBKQYJLDHFDX-UHFFFAOYSA-N 1 0 321.424 4.346 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2c(C#N)ccc(F)c2F)cc1 ZINC001209824277 1050090156 /nfs/dbraw/zinc/09/01/56/1050090156.db2.gz JSSKMWYZBNILMO-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000590642219 1050101005 /nfs/dbraw/zinc/10/10/05/1050101005.db2.gz WQHXPGPBMLKQLE-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO CSCC1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000590653530 1050101424 /nfs/dbraw/zinc/10/14/24/1050101424.db2.gz BHGBDFNOIFEARG-UHFFFAOYSA-N 1 0 308.878 4.223 20 30 DIEDRO COc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)ccc1Cl ZINC000590712987 1050103604 /nfs/dbraw/zinc/10/36/04/1050103604.db2.gz IYDSRCMVHSXPDC-QGZVFWFLSA-N 1 0 314.816 4.483 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000224696675 1050112115 /nfs/dbraw/zinc/11/21/15/1050112115.db2.gz GWDIXKGJNMIZBX-LLVKDONJSA-N 1 0 306.203 4.259 20 30 DIEDRO Cc1cc(N)[nH+]cc1Nc1sc(Cc2ccccc2)cc1C#N ZINC001209962428 1050112614 /nfs/dbraw/zinc/11/26/14/1050112614.db2.gz VKFQUSXIDVVQQQ-UHFFFAOYSA-N 1 0 320.421 4.240 20 30 DIEDRO Cc1cc(N)[nH+]cc1Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001209966969 1050113299 /nfs/dbraw/zinc/11/32/99/1050113299.db2.gz GISLHUGOKALXRE-UHFFFAOYSA-N 1 0 324.384 4.455 20 30 DIEDRO CC(C)c1ccc(OC2CC[NH+]([C@H](C)CCC#N)CC2)cc1 ZINC000591011265 1050118869 /nfs/dbraw/zinc/11/88/69/1050118869.db2.gz DOQBYCJXSMMCNK-MRXNPFEDSA-N 1 0 300.446 4.345 20 30 DIEDRO C#Cc1ccc(Nc2c(CC[NH+]3CCCC3)cccc2OC)cc1 ZINC001210115492 1050139467 /nfs/dbraw/zinc/13/94/67/1050139467.db2.gz XRWONMQWOUCYDS-UHFFFAOYSA-N 1 0 320.436 4.058 20 30 DIEDRO COc1cccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1C#N ZINC001210124016 1050140108 /nfs/dbraw/zinc/14/01/08/1050140108.db2.gz GYALPQFUAHLGOL-UHFFFAOYSA-N 1 0 321.424 4.120 20 30 DIEDRO CC1(C)CC(=O)C=C(Nc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001210151923 1050145067 /nfs/dbraw/zinc/14/50/67/1050145067.db2.gz UWWGDWMOODFQBS-UHFFFAOYSA-N 1 0 312.457 4.357 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3ncccc3Cl)CC2)C1 ZINC000733747181 1050150366 /nfs/dbraw/zinc/15/03/66/1050150366.db2.gz LDSCAUXCXXEOGT-DZGCQCFKSA-N 1 0 320.868 4.177 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733778776 1050154969 /nfs/dbraw/zinc/15/49/69/1050154969.db2.gz HCRSAZZAXFIDAJ-RTBURBONSA-N 1 0 322.537 4.460 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)c1cccc(OC)c1 ZINC000045806506 1050156344 /nfs/dbraw/zinc/15/63/44/1050156344.db2.gz FQCLCHDMCCMZIP-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO CCc1ccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)s1 ZINC000733800550 1050156367 /nfs/dbraw/zinc/15/63/67/1050156367.db2.gz YYBJNSZBBANKLQ-OAHLLOKOSA-N 1 0 314.454 4.281 20 30 DIEDRO C=CCOCCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000347970263 1050165851 /nfs/dbraw/zinc/16/58/51/1050165851.db2.gz MVAXFFNFLSYIOA-OAHLLOKOSA-N 1 0 302.443 4.026 20 30 DIEDRO C=CC1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000760834992 1050166219 /nfs/dbraw/zinc/16/62/19/1050166219.db2.gz VATJNBSLCOARNT-UHFFFAOYSA-N 1 0 316.445 4.432 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2ccccc2C)C2CC2)ccc1C#N ZINC000573313136 1050166305 /nfs/dbraw/zinc/16/63/05/1050166305.db2.gz GACWBEBSYHZNSW-HXUWFJFHSA-N 1 0 306.409 4.116 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378760519 1050187658 /nfs/dbraw/zinc/18/76/58/1050187658.db2.gz AUIXHLRLFIZGEU-LPEHRKFASA-N 1 0 320.683 4.392 20 30 DIEDRO C[C@H](C(=O)OC(C)(C)C)[N@H+](CCCCC1(C#N)CCC1)C1CC1 ZINC001171049980 1050191548 /nfs/dbraw/zinc/19/15/48/1050191548.db2.gz TYRQWIHKYGKYAD-OAHLLOKOSA-N 1 0 320.477 4.045 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001136839694 1050191782 /nfs/dbraw/zinc/19/17/82/1050191782.db2.gz RIQFBHFRAPBWBZ-ROUUACIJSA-N 1 0 310.526 4.173 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc(Br)c(F)cc1F ZINC001136855254 1050199128 /nfs/dbraw/zinc/19/91/28/1050199128.db2.gz CIAQAAWJGOYCTC-UHFFFAOYSA-N 1 0 304.178 4.125 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171055607 1050211948 /nfs/dbraw/zinc/21/19/48/1050211948.db2.gz IJBAWLWMCVAEAX-KRWDZBQOSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000734005153 1050213465 /nfs/dbraw/zinc/21/34/65/1050213465.db2.gz XWBBNDTZEXAWRD-PKOBYXMFSA-N 1 0 313.489 4.342 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3c(F)cccc32)cc1 ZINC000824469065 1050218422 /nfs/dbraw/zinc/21/84/22/1050218422.db2.gz WBZIPBIDOUBKLU-JLTOFOAXSA-N 1 0 324.399 4.284 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000573696466 1050247039 /nfs/dbraw/zinc/24/70/39/1050247039.db2.gz JBANULCYNILKFB-ZWKOTPCHSA-N 1 0 321.380 4.217 20 30 DIEDRO CCCCCCC[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000771468573 1050253625 /nfs/dbraw/zinc/25/36/25/1050253625.db2.gz XJFCRXXCSFXAPH-SFHVURJKSA-N 1 0 320.521 4.071 20 30 DIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592068094 1050268136 /nfs/dbraw/zinc/26/81/36/1050268136.db2.gz AOIHXOBYQDYQLS-WOJBJXKFSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592071611 1050269686 /nfs/dbraw/zinc/26/96/86/1050269686.db2.gz LFBZODIPBXCSOY-KGLIPLIRSA-N 1 0 313.832 4.231 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccncc1C#N)CC1CCC1 ZINC000592072948 1050269726 /nfs/dbraw/zinc/26/97/26/1050269726.db2.gz SMARUJQOLXNIGP-MRXNPFEDSA-N 1 0 305.425 4.317 20 30 DIEDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000592153514 1050270540 /nfs/dbraw/zinc/27/05/40/1050270540.db2.gz FCVJDQAHOUHCSD-QZTJIDSGSA-N 1 0 318.505 4.235 20 30 DIEDRO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(CCC#N)CC1 ZINC000592136103 1050271759 /nfs/dbraw/zinc/27/17/59/1050271759.db2.gz UIBGMUDGTWJMCP-UHFFFAOYSA-N 1 0 315.442 4.227 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CC2(CCCC2)O1 ZINC000592196371 1050274711 /nfs/dbraw/zinc/27/47/11/1050274711.db2.gz WQMSVOQJMTWDTR-MRXNPFEDSA-N 1 0 312.457 4.021 20 30 DIEDRO CCCC[N@H+](CCC(C)(C)C#N)[C@@H]1CCc2ncsc2C1 ZINC000592187221 1050275976 /nfs/dbraw/zinc/27/59/76/1050275976.db2.gz IHUGXUBCHMVCKF-CQSZACIVSA-N 1 0 305.491 4.042 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000734487371 1050276625 /nfs/dbraw/zinc/27/66/25/1050276625.db2.gz RATMYMKXXZVOPG-PXNSSMCTSA-N 1 0 320.436 4.205 20 30 DIEDRO CC1(C)CCc2cc(C[NH2+]Cc3ccc(C#N)c(F)c3)ccc2O1 ZINC000825231636 1050284978 /nfs/dbraw/zinc/28/49/78/1050284978.db2.gz BFOVWNCQEYAZDD-UHFFFAOYSA-N 1 0 324.399 4.091 20 30 DIEDRO N#Cc1cc(Cl)cc(Nc2c[nH+]ccc2N2CCCCC2)c1 ZINC001210537396 1050286086 /nfs/dbraw/zinc/28/60/86/1050286086.db2.gz XIUGICCMPUXRNW-UHFFFAOYSA-N 1 0 312.804 4.341 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000825261617 1050289878 /nfs/dbraw/zinc/28/98/78/1050289878.db2.gz ANXAMUXNBGBDHV-HRCADAONSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000825261621 1050291604 /nfs/dbraw/zinc/29/16/04/1050291604.db2.gz ANXAMUXNBGBDHV-JYJNAYRXSA-N 1 0 310.482 4.014 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(COc3cccc(F)c3)cc2)C1 ZINC000592394529 1050291979 /nfs/dbraw/zinc/29/19/79/1050291979.db2.gz PFDJQYWAXARRBA-MJGOQNOKSA-N 1 0 324.399 4.187 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)c1cccc(C#N)c1 ZINC000592392574 1050292286 /nfs/dbraw/zinc/29/22/86/1050292286.db2.gz NMRXVMWOZHVGKF-WMLDXEAASA-N 1 0 324.449 4.152 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(c3ccccc3F)CCC1)CC2 ZINC000592397810 1050293601 /nfs/dbraw/zinc/29/36/01/1050293601.db2.gz UGTQUZUZXMKQRH-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO N#CCC1CC[NH+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171082192 1050295760 /nfs/dbraw/zinc/29/57/60/1050295760.db2.gz IDYXCUGIQBQLHR-OAHLLOKOSA-N 1 0 323.267 4.476 20 30 DIEDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592391610 1050296922 /nfs/dbraw/zinc/29/69/22/1050296922.db2.gz IZETXHBPCVTLMJ-CYBMUJFWSA-N 1 0 314.816 4.265 20 30 DIEDRO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171085068 1050297231 /nfs/dbraw/zinc/29/72/31/1050297231.db2.gz DRXCCWUEVRIVLF-WFASDCNBSA-N 1 0 323.267 4.476 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1csc(C)c1 ZINC000592379631 1050297706 /nfs/dbraw/zinc/29/77/06/1050297706.db2.gz MKYSIRRAKGIGFL-MRXNPFEDSA-N 1 0 300.427 4.178 20 30 DIEDRO COc1ccc([C@@H](CC(C)C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000592389757 1050298008 /nfs/dbraw/zinc/29/80/08/1050298008.db2.gz FLMZGPHFPIIVFS-VDZJLULYSA-N 1 0 300.446 4.454 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171085062 1050298425 /nfs/dbraw/zinc/29/84/25/1050298425.db2.gz DRXCCWUEVRIVLF-DOMZBBRYSA-N 1 0 323.267 4.476 20 30 DIEDRO C[C@@]1(C#N)CCN([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088856 1050305976 /nfs/dbraw/zinc/30/59/76/1050305976.db2.gz WVAVMWVADKCLCI-BBRMVZONSA-N 1 0 309.240 4.086 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001143354211 1050314388 /nfs/dbraw/zinc/31/43/88/1050314388.db2.gz ZPNQVTDMVWPKCC-UHFFFAOYSA-N 1 0 310.526 4.317 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001143362271 1050316987 /nfs/dbraw/zinc/31/69/87/1050316987.db2.gz UBVUNZCOYWWIIA-LLVKDONJSA-N 1 0 317.738 4.084 20 30 DIEDRO N#Cc1c2c(sc1N=C1CCC([NH+]3CCCC3)CC1)CCC2 ZINC001210704100 1050340083 /nfs/dbraw/zinc/34/00/83/1050340083.db2.gz FRYUPXZEGDBDQW-CQSZACIVSA-N 1 0 313.470 4.053 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000735085493 1050344569 /nfs/dbraw/zinc/34/45/69/1050344569.db2.gz CTXKVXMRVJCYAX-QGZVFWFLSA-N 1 0 310.441 4.332 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCNc2cc(Br)ccc21 ZINC001246500529 1050350262 /nfs/dbraw/zinc/35/02/62/1050350262.db2.gz PSFWKEKZBUVDGQ-BXUZGUMPSA-N 1 0 309.251 4.250 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCNc2cc(Br)ccc21 ZINC001246500542 1050351122 /nfs/dbraw/zinc/35/11/22/1050351122.db2.gz PSFWKEKZBUVDGQ-SMDDNHRTSA-N 1 0 309.251 4.250 20 30 DIEDRO CC[N@H+](Cc1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc1)C(C)C ZINC000805914475 1050352536 /nfs/dbraw/zinc/35/25/36/1050352536.db2.gz KPSBVHJDEBKOHZ-KRWDZBQOSA-N 1 0 316.445 4.012 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2ccccc2C)CCC1 ZINC000593038739 1050364050 /nfs/dbraw/zinc/36/40/50/1050364050.db2.gz GXQVCTQRFDWGAS-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO CC(C)C[NH+](Cc1cc(Cl)ccc1OCC#N)CC(C)C ZINC000735308196 1050367738 /nfs/dbraw/zinc/36/77/38/1050367738.db2.gz FCYBTDQYUBHXQY-UHFFFAOYSA-N 1 0 308.853 4.356 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001143810270 1050369652 /nfs/dbraw/zinc/36/96/52/1050369652.db2.gz PGQAIDUYPHYGFG-UHFFFAOYSA-N 1 0 316.754 4.484 20 30 DIEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735310326 1050372865 /nfs/dbraw/zinc/37/28/65/1050372865.db2.gz YNMQUBFWGPXUBQ-MRXNPFEDSA-N 1 0 306.837 4.253 20 30 DIEDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735311711 1050373124 /nfs/dbraw/zinc/37/31/24/1050373124.db2.gz PFPSYJJWUYWWBS-INIZCTEOSA-N 1 0 306.837 4.253 20 30 DIEDRO N#CCOc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000844227677 1050375180 /nfs/dbraw/zinc/37/51/80/1050375180.db2.gz SHAMKBHWWNQERD-UHFFFAOYSA-N 1 0 306.409 4.242 20 30 DIEDRO COc1ccc(C[C@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)cc1 ZINC000593085481 1050380032 /nfs/dbraw/zinc/38/00/32/1050380032.db2.gz WQVHYZWNAOMDOC-GOSISDBHSA-N 1 0 314.473 4.422 20 30 DIEDRO CCn1cc(C[N@H+](Cc2ccccc2C(C)(C)C#N)C(C)C)cn1 ZINC000593079668 1050383366 /nfs/dbraw/zinc/38/33/66/1050383366.db2.gz JMRRGBDDEHMQGE-UHFFFAOYSA-N 1 0 324.472 4.115 20 30 DIEDRO C[C@H](CC1CCCCC1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000785545793 1050387277 /nfs/dbraw/zinc/38/72/77/1050387277.db2.gz WHRMLMDRFJAFME-CVEARBPZSA-N 1 0 300.446 4.426 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171117141 1050397057 /nfs/dbraw/zinc/39/70/57/1050397057.db2.gz VWXQNEYQWAGTJF-HXUWFJFHSA-N 1 0 322.839 4.127 20 30 DIEDRO C=CCCC[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000735490879 1050397878 /nfs/dbraw/zinc/39/78/78/1050397878.db2.gz TYGPKRXXVSSSEN-KRWDZBQOSA-N 1 0 322.493 4.064 20 30 DIEDRO Cc1ccccc1C1([NH2+]Cc2ccc(OCC#N)cc2)CCC1 ZINC000844350436 1050404252 /nfs/dbraw/zinc/40/42/52/1050404252.db2.gz GIQMUUHMPAOGJH-UHFFFAOYSA-N 1 0 306.409 4.066 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000735490401 1050404494 /nfs/dbraw/zinc/40/44/94/1050404494.db2.gz JNGTYZXQXXKVJY-UHFFFAOYSA-N 1 0 316.489 4.090 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cc2cnccc2o1)c1ccccc1 ZINC000593628532 1050430020 /nfs/dbraw/zinc/43/00/20/1050430020.db2.gz ADORSSZTDGATBF-GOSISDBHSA-N 1 0 305.381 4.353 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(c3ccccc3F)CCC2)CC1 ZINC000593642801 1050430181 /nfs/dbraw/zinc/43/01/81/1050430181.db2.gz MVHCCXOYBTVGTJ-UHFFFAOYSA-N 1 0 300.421 4.309 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCc3c2cccc3Br)CCCC1 ZINC000593654497 1050431632 /nfs/dbraw/zinc/43/16/32/1050431632.db2.gz DRISOIZELCHYSJ-OAHLLOKOSA-N 1 0 319.246 4.110 20 30 DIEDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(C#N)CCCC1 ZINC000593653621 1050432872 /nfs/dbraw/zinc/43/28/72/1050432872.db2.gz SPWFCEYUBBNJMK-AWEZNQCLSA-N 1 0 322.399 4.283 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CCC([NH+](C)C)CC1 ZINC000735882506 1050435253 /nfs/dbraw/zinc/43/52/53/1050435253.db2.gz WPQHLJRXYSCBHL-OUKQBFOZSA-N 1 0 308.510 4.236 20 30 DIEDRO C=C(C)C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000785965368 1050437662 /nfs/dbraw/zinc/43/76/62/1050437662.db2.gz QDUGJJSTCHCPDN-UHFFFAOYSA-N 1 0 307.437 4.213 20 30 DIEDRO C=CCC[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000785966002 1050438104 /nfs/dbraw/zinc/43/81/04/1050438104.db2.gz XIWXRZWYGWVBNA-UHFFFAOYSA-N 1 0 307.437 4.213 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000785998448 1050442423 /nfs/dbraw/zinc/44/24/23/1050442423.db2.gz FHDIJMFHZCKHOP-HNNXBMFYSA-N 1 0 304.459 4.001 20 30 DIEDRO N#CCC[N@H+](C1CCCC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171131640 1050448878 /nfs/dbraw/zinc/44/88/78/1050448878.db2.gz YWZMJAZDOJXQMJ-GOSISDBHSA-N 1 0 302.849 4.356 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171136950 1050460584 /nfs/dbraw/zinc/46/05/84/1050460584.db2.gz XLWUINMQQPZSDY-LJQANCHMSA-N 1 0 310.828 4.201 20 30 DIEDRO C[NH+](C)CCc1ccc(-c2ccc3[nH]cc(CC#N)c3c2)cc1 ZINC000593950941 1050462513 /nfs/dbraw/zinc/46/25/13/1050462513.db2.gz DCHAPJCNUDJTSP-UHFFFAOYSA-N 1 0 303.409 4.005 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000594009343 1050472568 /nfs/dbraw/zinc/47/25/68/1050472568.db2.gz CVOOGTCLJOMZSS-UYWPIULCSA-N 1 0 307.235 4.134 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cn1)C(c1ccccc1)c1ccccc1 ZINC001144149945 1050483631 /nfs/dbraw/zinc/48/36/31/1050483631.db2.gz OZNZTTINQDBRCU-UHFFFAOYSA-N 1 0 313.404 4.175 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000736629675 1050485684 /nfs/dbraw/zinc/48/56/84/1050485684.db2.gz STMVSTYVTDAFRY-YJBOKZPZSA-N 1 0 324.399 4.106 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(C)CCCCCC1)C(C)C ZINC001144197429 1050490972 /nfs/dbraw/zinc/49/09/72/1050490972.db2.gz HQSPQEQZQMVKJY-GOSISDBHSA-N 1 0 320.521 4.162 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2c(C#N)cccc2C(F)(F)F)c1 ZINC001211138271 1050491995 /nfs/dbraw/zinc/49/19/95/1050491995.db2.gz BBWNMWPSSLNUER-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2c(Cl)cc(Cl)cc2C#N)c1 ZINC001211137367 1050492277 /nfs/dbraw/zinc/49/22/77/1050492277.db2.gz SBHZWEYHNCUNKP-UHFFFAOYSA-N 1 0 306.196 4.328 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000766221300 1050499604 /nfs/dbraw/zinc/49/96/04/1050499604.db2.gz GTQYQYRAKSGMSQ-CYBMUJFWSA-N 1 0 314.410 4.387 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(Br)c(OC)c1 ZINC001144234469 1050511929 /nfs/dbraw/zinc/51/19/29/1050511929.db2.gz RWHRDGFLELSYEH-UHFFFAOYSA-N 1 0 312.251 4.246 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)c(OC)c1)C(C)(C)C ZINC001144234605 1050512793 /nfs/dbraw/zinc/51/27/93/1050512793.db2.gz VHRDGCSSZQZPBQ-UHFFFAOYSA-N 1 0 312.251 4.244 20 30 DIEDRO CCOCc1ccccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594493955 1050517501 /nfs/dbraw/zinc/51/75/01/1050517501.db2.gz BZEUGHMNOHIGEL-UHFFFAOYSA-N 1 0 322.452 4.314 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](COC)c1ccc(Cl)cc1)c1ccncc1 ZINC000786826661 1050519282 /nfs/dbraw/zinc/51/92/82/1050519282.db2.gz BSTCSPYNHDKCJM-ZWKOTPCHSA-N 1 0 316.832 4.330 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)cc1 ZINC000594498392 1050519387 /nfs/dbraw/zinc/51/93/87/1050519387.db2.gz PFWJWSIIYBMFNX-GOSISDBHSA-N 1 0 314.473 4.173 20 30 DIEDRO C=CC[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccncc1 ZINC000786827320 1050519892 /nfs/dbraw/zinc/51/98/92/1050519892.db2.gz DCJJGKWAAFXZDP-SOAGJPPSSA-N 1 0 308.425 4.036 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2cc3ccccc3[nH]2)cc1 ZINC000594503869 1050520366 /nfs/dbraw/zinc/52/03/66/1050520366.db2.gz DDQHWNIRSSGRJP-UHFFFAOYSA-N 1 0 317.436 4.301 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)Oc1ccccc1 ZINC000594501328 1050520612 /nfs/dbraw/zinc/52/06/12/1050520612.db2.gz JQBIMVBAIHRKNL-INIZCTEOSA-N 1 0 308.425 4.045 20 30 DIEDRO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594502355 1050520665 /nfs/dbraw/zinc/52/06/65/1050520665.db2.gz NKIYQBTXQIBFLO-MRXNPFEDSA-N 1 0 322.452 4.217 20 30 DIEDRO CCO[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594500987 1050521189 /nfs/dbraw/zinc/52/11/89/1050521189.db2.gz DEBLINMKAFYOMB-FQEVSTJZSA-N 1 0 322.452 4.355 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](COC)c1ccc(Cl)cc1)c1ccccc1 ZINC000786873949 1050524876 /nfs/dbraw/zinc/52/48/76/1050524876.db2.gz YFIFMNVYFHSEOA-OALUTQOASA-N 1 0 313.828 4.382 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CSc3ccccc32)cc1 ZINC000594515447 1050524883 /nfs/dbraw/zinc/52/48/83/1050524883.db2.gz VKFZEGPOGMGNMM-KRWDZBQOSA-N 1 0 308.450 4.424 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4c3cc(F)cc4F)CCC2)cc1 ZINC000594516088 1050524917 /nfs/dbraw/zinc/52/49/17/1050524917.db2.gz AXIZBNDOJDKKQU-IBGZPJMESA-N 1 0 324.374 4.493 20 30 DIEDRO Cc1c(Br)cccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000594510903 1050525003 /nfs/dbraw/zinc/52/50/03/1050525003.db2.gz MNBOEPMOGKHNTO-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594515611 1050525349 /nfs/dbraw/zinc/52/53/49/1050525349.db2.gz OOMSIVLZMBDIRI-HNNXBMFYSA-N 1 0 306.409 4.297 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCO2 ZINC000594512800 1050525381 /nfs/dbraw/zinc/52/53/81/1050525381.db2.gz DQAFYHNOZPYMHT-AWEZNQCLSA-N 1 0 320.392 4.017 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000594512757 1050526828 /nfs/dbraw/zinc/52/68/28/1050526828.db2.gz CXXJNFWYPYPJGF-AWEZNQCLSA-N 1 0 321.380 4.196 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4ccc(F)cc43)CCC2)cc1 ZINC000594516465 1050527641 /nfs/dbraw/zinc/52/76/41/1050527641.db2.gz RTGIEJDCONYOSA-IBGZPJMESA-N 1 0 306.384 4.354 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594521946 1050530239 /nfs/dbraw/zinc/53/02/39/1050530239.db2.gz WDEFXCRMXDBLQK-UHFFFAOYSA-N 1 0 318.420 4.292 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000594522105 1050531715 /nfs/dbraw/zinc/53/17/15/1050531715.db2.gz HRGKITAUIWMEBL-SFHVURJKSA-N 1 0 312.457 4.069 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(Cl)ccc1O ZINC000787029484 1050540643 /nfs/dbraw/zinc/54/06/43/1050540643.db2.gz XLGLXIAWZLXSTP-GTNSWQLSSA-N 1 0 312.800 4.255 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171165174 1050547790 /nfs/dbraw/zinc/54/77/90/1050547790.db2.gz QVLNKJIWVGVMRB-DOMZBBRYSA-N 1 0 323.267 4.476 20 30 DIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc(F)c3CC#N)c2c1 ZINC001171166923 1050549027 /nfs/dbraw/zinc/54/90/27/1050549027.db2.gz GVIDWIUZBUGICZ-AWEZNQCLSA-N 1 0 321.399 4.034 20 30 DIEDRO Cc1cc[nH+]c(NCc2ccc(C3(C#N)CC3)cc2)c1C1CC1 ZINC000594742768 1050554789 /nfs/dbraw/zinc/55/47/89/1050554789.db2.gz PSRCDANCUPQKAX-UHFFFAOYSA-N 1 0 303.409 4.435 20 30 DIEDRO C#CC[N@H+](Cc1cnc(-c2ccco2)s1)C1CCCCC1 ZINC000787131402 1050555422 /nfs/dbraw/zinc/55/54/22/1050555422.db2.gz BTSTZJRTBRESNF-UHFFFAOYSA-N 1 0 300.427 4.171 20 30 DIEDRO CCc1ccc(C)[nH+]c1NCc1cccc(OCCCC#N)c1 ZINC000594742748 1050555306 /nfs/dbraw/zinc/55/53/06/1050555306.db2.gz OVGOYOXPPFECGJ-UHFFFAOYSA-N 1 0 309.413 4.247 20 30 DIEDRO CC1(C#N)CC[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171171243 1050556823 /nfs/dbraw/zinc/55/68/23/1050556823.db2.gz DEVVIIXVUDKDSU-AWEZNQCLSA-N 1 0 323.267 4.476 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CCC[N@H+](CC)CC1 ZINC001144387210 1050557224 /nfs/dbraw/zinc/55/72/24/1050557224.db2.gz BZEAZSURQHCKFX-SFHVURJKSA-N 1 0 310.526 4.317 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3(c4nccs4)CCCC3)cc2)CC1 ZINC000594922073 1050562709 /nfs/dbraw/zinc/56/27/09/1050562709.db2.gz INVALWUUDNTNCU-UHFFFAOYSA-N 1 0 323.465 4.257 20 30 DIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594923074 1050563591 /nfs/dbraw/zinc/56/35/91/1050563591.db2.gz DCRXYPCBQAFXNE-RDTXWAMCSA-N 1 0 306.409 4.248 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCCOC3CCCCC3)cc2)CC1 ZINC000594917909 1050563729 /nfs/dbraw/zinc/56/37/29/1050563729.db2.gz LKTVJTJVPBWCBM-UHFFFAOYSA-N 1 0 312.457 4.071 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001171176890 1050565848 /nfs/dbraw/zinc/56/58/48/1050565848.db2.gz WXVMVOCYIOOERE-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001211436673 1050566453 /nfs/dbraw/zinc/56/64/53/1050566453.db2.gz SJIABEBBEZHGAM-UHFFFAOYSA-N 1 0 321.783 4.028 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cc(C)ccc2Cl)no1 ZINC001211436546 1050566592 /nfs/dbraw/zinc/56/65/92/1050566592.db2.gz PKQRGJONQBSETH-UHFFFAOYSA-N 1 0 317.820 4.198 20 30 DIEDRO Cc1cnc([C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C2CC2)s1 ZINC000594929565 1050566883 /nfs/dbraw/zinc/56/68/83/1050566883.db2.gz KOXSKRKXCWVMRT-KRWDZBQOSA-N 1 0 323.465 4.248 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(C)cc2Cl)no1 ZINC001211436838 1050567264 /nfs/dbraw/zinc/56/72/64/1050567264.db2.gz ZYQRKTMKVXZSJJ-UHFFFAOYSA-N 1 0 317.820 4.198 20 30 DIEDRO Cc1cc(C)cc(OC[C@H](C)[NH2+][C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171179525 1050569040 /nfs/dbraw/zinc/56/90/40/1050569040.db2.gz SVVNJJBTPPFBKS-MSOLQXFVSA-N 1 0 322.452 4.163 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1c(F)cccc1Cl ZINC001171176129 1050569963 /nfs/dbraw/zinc/56/99/63/1050569963.db2.gz PQSICXYJPBYAQQ-ZDUSSCGKSA-N 1 0 316.807 4.114 20 30 DIEDRO N#CCCn1cc(C[NH2+]CCCC2CCC2)c(-c2ccccc2)n1 ZINC000594978214 1050572567 /nfs/dbraw/zinc/57/25/67/1050572567.db2.gz RCWLJKORNQSJLM-UHFFFAOYSA-N 1 0 322.456 4.134 20 30 DIEDRO CC(C)([NH2+]Cc1cccc2c1OC(C)(C)C2)c1cccc(C#N)c1 ZINC000594969311 1050573438 /nfs/dbraw/zinc/57/34/38/1050573438.db2.gz PAYLELRNBLDOGW-UHFFFAOYSA-N 1 0 320.436 4.297 20 30 DIEDRO Cc1ccc(F)c(C[NH2+][C@H](C)Cc2cccc(C#N)c2)c1Cl ZINC001171178925 1050573734 /nfs/dbraw/zinc/57/37/34/1050573734.db2.gz LZAFZKVZWDVVKP-CYBMUJFWSA-N 1 0 316.807 4.380 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(Cl)c1F ZINC001171178959 1050573907 /nfs/dbraw/zinc/57/39/07/1050573907.db2.gz MPRLBQWOSNIJHV-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO Cc1cc(C)cc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000594973620 1050574172 /nfs/dbraw/zinc/57/41/72/1050574172.db2.gz NXRQWZZYCWZBPU-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CCC4(CCCCC4)O3)cc2)CC1 ZINC000594938268 1050576187 /nfs/dbraw/zinc/57/61/87/1050576187.db2.gz LOMWKLGUDHDYJM-IBGZPJMESA-N 1 0 324.468 4.213 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594933924 1050576410 /nfs/dbraw/zinc/57/64/10/1050576410.db2.gz ATINDTIOAQDHJZ-UHFFFAOYSA-N 1 0 319.452 4.224 20 30 DIEDRO Cc1cccc2c(CC[NH3+])cn([C@@H](C)Cc3cccc(C#N)c3)c21 ZINC001171181994 1050577465 /nfs/dbraw/zinc/57/74/65/1050577465.db2.gz RTHCYLCWEGGELA-INIZCTEOSA-N 1 0 317.436 4.126 20 30 DIEDRO Cc1cc(NCc2ccc(C3(C#N)CC3)cc2)ccc1C[NH+](C)C ZINC000594947340 1050577512 /nfs/dbraw/zinc/57/75/12/1050577512.db2.gz ZGJDGOOBBXYGDM-UHFFFAOYSA-N 1 0 319.452 4.224 20 30 DIEDRO Cc1[nH+]c2cc(NCc3ccc(C4(C#N)CC4)cc3)ccc2n1C ZINC000594948638 1050577830 /nfs/dbraw/zinc/57/78/30/1050577830.db2.gz AUXBIVKPOWCBQF-UHFFFAOYSA-N 1 0 316.408 4.049 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CCCCC3(F)F)cc2)CC1 ZINC000594943905 1050578262 /nfs/dbraw/zinc/57/82/62/1050578262.db2.gz LVVOHEWSSLJLNK-MRXNPFEDSA-N 1 0 304.384 4.157 20 30 DIEDRO COCc1csc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000594942934 1050578675 /nfs/dbraw/zinc/57/86/75/1050578675.db2.gz DUJDNMQRTRUHMK-SFHVURJKSA-N 1 0 314.454 4.419 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)CC(F)(F)F ZINC000594945597 1050579322 /nfs/dbraw/zinc/57/93/22/1050579322.db2.gz GBUMOPBMHKPEHK-CYBMUJFWSA-N 1 0 310.363 4.310 20 30 DIEDRO Cc1ccc(C[NH+](C)C)cc1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594961414 1050580145 /nfs/dbraw/zinc/58/01/45/1050580145.db2.gz ZHORRCIOFRLSSJ-UHFFFAOYSA-N 1 0 319.452 4.224 20 30 DIEDRO C=CCCSCC[NH2+]Cc1csc(-c2cccs2)n1 ZINC000594960856 1050580284 /nfs/dbraw/zinc/58/02/84/1050580284.db2.gz XWUNFGCPZLVALK-UHFFFAOYSA-N 1 0 310.513 4.271 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Cl)cc1F ZINC001171183121 1050581164 /nfs/dbraw/zinc/58/11/64/1050581164.db2.gz BOTQCJJSLXJJME-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)c(F)cc1Cl ZINC001171183486 1050581209 /nfs/dbraw/zinc/58/12/09/1050581209.db2.gz FICCVFMIXVWIOB-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@]23C[C@@H]2CCC3)c1 ZINC000594954339 1050581410 /nfs/dbraw/zinc/58/14/10/1050581410.db2.gz YSJSYGZGSQFYFB-FPOVZHCZSA-N 1 0 318.420 4.169 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000594959893 1050581600 /nfs/dbraw/zinc/58/16/00/1050581600.db2.gz FIYSHAVXTFNJGE-UHFFFAOYSA-N 1 0 310.513 4.271 20 30 DIEDRO CC(C)Cc1ncc(C[NH2+]C(C)(C)c2cccc(C#N)c2)s1 ZINC000594966915 1050583397 /nfs/dbraw/zinc/58/33/97/1050583397.db2.gz CYWXDDZYVRPCIM-UHFFFAOYSA-N 1 0 313.470 4.238 20 30 DIEDRO CCCOc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000594964204 1050583688 /nfs/dbraw/zinc/58/36/88/1050583688.db2.gz CARUEOGPDDNOPW-UHFFFAOYSA-N 1 0 308.425 4.372 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000594965507 1050583834 /nfs/dbraw/zinc/58/38/34/1050583834.db2.gz JROOTRDPPWQITC-UHFFFAOYSA-N 1 0 306.409 4.148 20 30 DIEDRO Cc1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc2cc[nH]c21 ZINC001171186583 1050584207 /nfs/dbraw/zinc/58/42/07/1050584207.db2.gz VSUFLCNRCOKSPQ-UHFFFAOYSA-N 1 0 315.376 4.372 20 30 DIEDRO CCCOc1cccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000594965041 1050584295 /nfs/dbraw/zinc/58/42/95/1050584295.db2.gz HSUOVGKJCOAHBD-UHFFFAOYSA-N 1 0 308.425 4.372 20 30 DIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC3(CCCCC3)CC2)cc1 ZINC000787335754 1050585349 /nfs/dbraw/zinc/58/53/49/1050585349.db2.gz NZXHZCQENOWUTC-LJQANCHMSA-N 1 0 312.457 4.028 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCC#N ZINC000595014541 1050585492 /nfs/dbraw/zinc/58/54/92/1050585492.db2.gz WOJVTGHLDGNCFL-MRXNPFEDSA-N 1 0 323.278 4.300 20 30 DIEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000594979868 1050588530 /nfs/dbraw/zinc/58/85/30/1050588530.db2.gz MPOHBVPBGAZFOL-APWZRJJASA-N 1 0 324.468 4.146 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001171189429 1050589336 /nfs/dbraw/zinc/58/93/36/1050589336.db2.gz GAZLMYFZTGYLPD-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCCc3c(C)cccc32)ccc1C#N ZINC000594999820 1050590416 /nfs/dbraw/zinc/59/04/16/1050590416.db2.gz FLWFGXSEIXCDIG-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739784334 1050590974 /nfs/dbraw/zinc/59/09/74/1050590974.db2.gz DPXZNUWZCPMMTG-SFHVURJKSA-N 1 0 308.510 4.071 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000595055793 1050591984 /nfs/dbraw/zinc/59/19/84/1050591984.db2.gz JUCIWTIZBXODQD-OAQYLSRUSA-N 1 0 319.452 4.407 20 30 DIEDRO CCc1cc(C[N@H+](CCC#N)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000739841101 1050592154 /nfs/dbraw/zinc/59/21/54/1050592154.db2.gz FASVLGZEROLOOV-UHFFFAOYSA-N 1 0 302.462 4.376 20 30 DIEDRO CC(C)[N@H+](CCC#N)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000739841246 1050592205 /nfs/dbraw/zinc/59/22/05/1050592205.db2.gz FKHNVFCZRUWXMF-UHFFFAOYSA-N 1 0 312.413 4.141 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2cc3ccccc3o2)cc1 ZINC000740011780 1050593278 /nfs/dbraw/zinc/59/32/78/1050593278.db2.gz STTPUNXHCHDACJ-UHFFFAOYSA-N 1 0 319.404 4.167 20 30 DIEDRO Cc1ccc2oc(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)cc2c1 ZINC000740003948 1050594587 /nfs/dbraw/zinc/59/45/87/1050594587.db2.gz DTYRUWGIGUWUFN-HNNXBMFYSA-N 1 0 320.392 4.494 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccc(F)cc2F)CC1 ZINC001171191819 1050594891 /nfs/dbraw/zinc/59/48/91/1050594891.db2.gz GFWYCAZGTMRFMI-ZDUSSCGKSA-N 1 0 312.363 4.046 20 30 DIEDRO C=C(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000740004856 1050595074 /nfs/dbraw/zinc/59/50/74/1050595074.db2.gz XMOICSQQHKVOFV-UHFFFAOYSA-N 1 0 302.761 4.051 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccccc1F)C1CC1 ZINC001171191952 1050595269 /nfs/dbraw/zinc/59/52/69/1050595269.db2.gz IVSYHNLIMSDZNE-VBKZILBWSA-N 1 0 308.400 4.369 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@H](C)Cc1cccc(C#N)c1 ZINC001171190227 1050596312 /nfs/dbraw/zinc/59/63/12/1050596312.db2.gz QJKFJPHYCUAGMN-OXQOHEQNSA-N 1 0 319.452 4.098 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC1CCC(F)(F)CC1 ZINC001171192940 1050597183 /nfs/dbraw/zinc/59/71/83/1050597183.db2.gz QUEYFZBNTMKHIC-AWEZNQCLSA-N 1 0 306.400 4.294 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(Cl)c(F)cc1F ZINC001171190366 1050598002 /nfs/dbraw/zinc/59/80/02/1050598002.db2.gz SPFZXULIBKRKIK-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595034085 1050599797 /nfs/dbraw/zinc/59/97/97/1050599797.db2.gz UFHRKTPHXNPKAO-IMJJTQAJSA-N 1 0 321.262 4.052 20 30 DIEDRO COc1cc2ccc([C@@H](C)[NH2+]CC3(CC#N)CC3)cc2cc1OC ZINC000595045070 1050601907 /nfs/dbraw/zinc/60/19/07/1050601907.db2.gz BLWXHPWDFSKADJ-CQSZACIVSA-N 1 0 324.424 4.201 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 ZINC000595049016 1050601974 /nfs/dbraw/zinc/60/19/74/1050601974.db2.gz TZYVUUJJASAFCH-BDJLRTHQSA-N 1 0 313.351 4.229 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC001171193805 1050604347 /nfs/dbraw/zinc/60/43/47/1050604347.db2.gz CHAWHFWMLYGPCE-HNNXBMFYSA-N 1 0 308.400 4.297 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001171194023 1050604431 /nfs/dbraw/zinc/60/44/31/1050604431.db2.gz FJSFUNVVCASLKI-XOBRGWDASA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccc(C#N)c(F)c1 ZINC000595100466 1050608341 /nfs/dbraw/zinc/60/83/41/1050608341.db2.gz WFOAUYJEDSBNIF-OLQXHTCTSA-N 1 0 308.347 4.316 20 30 DIEDRO C[C@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1(F)F ZINC000595081322 1050610050 /nfs/dbraw/zinc/61/00/50/1050610050.db2.gz RCJYDMWYESOBBN-AQFXKWCLSA-N 1 0 304.384 4.025 20 30 DIEDRO C[C@@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1(F)F ZINC000595081323 1050610213 /nfs/dbraw/zinc/61/02/13/1050610213.db2.gz RCJYDMWYESOBBN-CGZBRXJRSA-N 1 0 304.384 4.025 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171197723 1050610502 /nfs/dbraw/zinc/61/05/02/1050610502.db2.gz BTKRGGAUPJWCEG-HZPDHXFCSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(Cc2cccc(F)c2)CC1 ZINC001171197768 1050610885 /nfs/dbraw/zinc/61/08/85/1050610885.db2.gz CGWZIEUQUKCNDS-MRXNPFEDSA-N 1 0 322.427 4.241 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000595090905 1050611306 /nfs/dbraw/zinc/61/13/06/1050611306.db2.gz KZOIPQMMUNPHMD-ATZDWAIDSA-N 1 0 312.457 4.251 20 30 DIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000595092138 1050611611 /nfs/dbraw/zinc/61/16/11/1050611611.db2.gz XSUISKKDAVHYQQ-HKUYNNGSSA-N 1 0 317.521 4.093 20 30 DIEDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](O)C(C)C)c1ccc(C#N)cc1 ZINC000595097204 1050612594 /nfs/dbraw/zinc/61/25/94/1050612594.db2.gz SNYUJCZYWWUQLP-PWRODBHTSA-N 1 0 322.452 4.357 20 30 DIEDRO COc1ccc(CC(C)(C)[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171198349 1050613152 /nfs/dbraw/zinc/61/31/52/1050613152.db2.gz KRQLHYURQQNMOI-INIZCTEOSA-N 1 0 322.452 4.109 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000595096616 1050613936 /nfs/dbraw/zinc/61/39/36/1050613936.db2.gz CQQMVHIXZYPOGX-NXYGQSRBSA-N 1 0 316.395 4.493 20 30 DIEDRO Cc1ccccc1CC1(C[NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171197932 1050619228 /nfs/dbraw/zinc/61/92/28/1050619228.db2.gz FJEHDKRIYDSBIC-GOSISDBHSA-N 1 0 318.464 4.410 20 30 DIEDRO C#Cc1ccc(C[N@H+](Cc2ccccn2)C2CCCCC2)cc1 ZINC001144576440 1050620775 /nfs/dbraw/zinc/62/07/75/1050620775.db2.gz KZLAGHGVQDKAIQ-UHFFFAOYSA-N 1 0 304.437 4.398 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(Cc2ccccc2F)CC1 ZINC001171199116 1050621185 /nfs/dbraw/zinc/62/11/85/1050621185.db2.gz VEJDOWPRSYSOGQ-MRXNPFEDSA-N 1 0 322.427 4.241 20 30 DIEDRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595350267 1050624076 /nfs/dbraw/zinc/62/40/76/1050624076.db2.gz GIMCOCSZKPHRFC-AWEZNQCLSA-N 1 0 321.449 4.403 20 30 DIEDRO C[C@H]([NH3+])c1cn([C@@H](C)Cc2cccc(C#N)c2)c2ccccc12 ZINC001171200904 1050626488 /nfs/dbraw/zinc/62/64/88/1050626488.db2.gz DUEZPAIZDKEGMI-GJZGRUSLSA-N 1 0 303.409 4.336 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](CCC#N)c1ccccc1)C1CCCCC1 ZINC000595418955 1050632550 /nfs/dbraw/zinc/63/25/50/1050632550.db2.gz GVORYHIUJMXMDF-MOPGFXCFSA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)CCC2 ZINC001171201209 1050632856 /nfs/dbraw/zinc/63/28/56/1050632856.db2.gz IRVBQVGXTOBSDV-IIBYNOLFSA-N 1 0 304.437 4.465 20 30 DIEDRO CCCCCCC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000740877812 1050636732 /nfs/dbraw/zinc/63/67/32/1050636732.db2.gz YZBNWKFLLAELTO-UHFFFAOYSA-N 1 0 316.489 4.193 20 30 DIEDRO Cc1ccc2cccc(C[NH2+][C@@H](C)Cc3cccc(C#N)c3)c2n1 ZINC001171202257 1050637177 /nfs/dbraw/zinc/63/71/77/1050637177.db2.gz AIVOVAJVVBDMSO-INIZCTEOSA-N 1 0 315.420 4.136 20 30 DIEDRO CCc1cccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)c1 ZINC000845937669 1050637214 /nfs/dbraw/zinc/63/72/14/1050637214.db2.gz NFBIHTWOJZENKZ-IBGZPJMESA-N 1 0 308.425 4.220 20 30 DIEDRO CCCCCCCC[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000740878336 1050637409 /nfs/dbraw/zinc/63/74/09/1050637409.db2.gz ZZYKCRIPXYFNGW-UHFFFAOYSA-N 1 0 322.537 4.317 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001171204018 1050639572 /nfs/dbraw/zinc/63/95/72/1050639572.db2.gz RFZGIEZRRNVMFD-VMDGZTHMSA-N 1 0 310.828 4.288 20 30 DIEDRO Cc1ccccc1C1([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CCC1 ZINC000845994707 1050648384 /nfs/dbraw/zinc/64/83/84/1050648384.db2.gz JASCOHVIMMXYQW-QGZVFWFLSA-N 1 0 320.436 4.455 20 30 DIEDRO C[C@]1(CC[NH2+]Cc2cccc(OCCCC#N)c2)C[C@@]1(F)Cl ZINC000846034201 1050653321 /nfs/dbraw/zinc/65/33/21/1050653321.db2.gz IJAVIMIHGNCOCQ-IRXDYDNUSA-N 1 0 324.827 4.163 20 30 DIEDRO CC(C)(C#N)CCC[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595638176 1050654273 /nfs/dbraw/zinc/65/42/73/1050654273.db2.gz RLNQZAKIDJBYLF-GOSISDBHSA-N 1 0 314.473 4.386 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc([C@H](C)SCC)no1 ZINC000595602399 1050655328 /nfs/dbraw/zinc/65/53/28/1050655328.db2.gz ISCLOSFRAXFYCI-MJBXVCDLSA-N 1 0 309.479 4.108 20 30 DIEDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613863 1050657177 /nfs/dbraw/zinc/65/71/77/1050657177.db2.gz IOTULOHZCMCNJL-STQMWFEESA-N 1 0 312.335 4.272 20 30 DIEDRO Fc1ccc(C[NH2+]CCSC(F)(F)F)c(C(F)(F)F)c1 ZINC000227321195 1050658875 /nfs/dbraw/zinc/65/88/75/1050658875.db2.gz RKZBPSXDKSBFJF-UHFFFAOYSA-N 1 0 321.261 4.187 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)c(C(F)(F)F)c1 ZINC000595761709 1050664876 /nfs/dbraw/zinc/66/48/76/1050664876.db2.gz GDLJPWUABSGWCE-LBPRGKRZSA-N 1 0 314.326 4.149 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCCC3CCCC3)CCOCC2)c1 ZINC000595764177 1050665196 /nfs/dbraw/zinc/66/51/96/1050665196.db2.gz GIEVMNKFLWVIBS-UHFFFAOYSA-N 1 0 312.457 4.124 20 30 DIEDRO C=CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000595764843 1050665982 /nfs/dbraw/zinc/66/59/82/1050665982.db2.gz DWLUQWDFJSFDGH-UHFFFAOYSA-N 1 0 315.373 4.036 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)cc1F ZINC000595750536 1050668588 /nfs/dbraw/zinc/66/85/88/1050668588.db2.gz CJHUNIZHTJFTGO-GOSISDBHSA-N 1 0 310.372 4.043 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)C1CCC(F)CC1 ZINC000595818251 1050670843 /nfs/dbraw/zinc/67/08/43/1050670843.db2.gz GNUHMUYZAVRIFZ-HPUBIQBYSA-N 1 0 302.437 4.494 20 30 DIEDRO CC1(C)C[C@]1([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000595908337 1050676824 /nfs/dbraw/zinc/67/68/24/1050676824.db2.gz HUMDAMRQXFHTHF-FQEVSTJZSA-N 1 0 312.457 4.002 20 30 DIEDRO COc1cccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1O ZINC000846169611 1050680399 /nfs/dbraw/zinc/68/03/99/1050680399.db2.gz IIIILJYZEPHZRJ-YJBOKZPZSA-N 1 0 324.424 4.487 20 30 DIEDRO CC[N@@H+]1CCC(N=Nc2ccnc3cc(Cl)ccc23)[C@@H](C)C1 ZINC000741451813 1050686664 /nfs/dbraw/zinc/68/66/64/1050686664.db2.gz PEVAJJHWWVOYHA-LBPRGKRZSA-N 1 0 316.836 4.018 20 30 DIEDRO C[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc(C#N)cc1F ZINC000846214705 1050694193 /nfs/dbraw/zinc/69/41/93/1050694193.db2.gz MCWHWYCMJYSZBA-JQWIXIFHSA-N 1 0 315.219 4.322 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)CC2 ZINC000846216837 1050695854 /nfs/dbraw/zinc/69/58/54/1050695854.db2.gz WAPMANHESLNCAU-HIFRSBDPSA-N 1 0 309.240 4.109 20 30 DIEDRO N#CC[C@@H]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000596330657 1050708717 /nfs/dbraw/zinc/70/87/17/1050708717.db2.gz VJSUMXNZQYONBT-LBPRGKRZSA-N 1 0 319.330 4.384 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001171221402 1050710807 /nfs/dbraw/zinc/71/08/07/1050710807.db2.gz MIPCIKFVIUTDHF-MAUKXSAKSA-N 1 0 308.400 4.118 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000741585232 1050713794 /nfs/dbraw/zinc/71/37/94/1050713794.db2.gz PAJNCXPJKIGTHK-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCCCCCCCCC(=O)N(C)C1CC[NH+](CC)CC1 ZINC001144798021 1050715647 /nfs/dbraw/zinc/71/56/47/1050715647.db2.gz YKAFTIZQVNWIAA-UHFFFAOYSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CCCCCCCCCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC001144798048 1050716079 /nfs/dbraw/zinc/71/60/79/1050716079.db2.gz ZFHHKLPWVNWUSY-UHFFFAOYSA-N 1 0 308.510 4.093 20 30 DIEDRO C=CCCCCCCCCC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC001144797520 1050717162 /nfs/dbraw/zinc/71/71/62/1050717162.db2.gz BVSOJWLDVWMCMU-UHFFFAOYSA-N 1 0 317.477 4.423 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001171223500 1050717837 /nfs/dbraw/zinc/71/78/37/1050717837.db2.gz MZIHIKDHVRCTNW-OXJNMPFZSA-N 1 0 322.477 4.279 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171228635 1050722149 /nfs/dbraw/zinc/72/21/49/1050722149.db2.gz HNGYYHFIUPPILK-IAGOWNOFSA-N 1 0 322.452 4.061 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1F)[C@H](C)Cc1cccc(C#N)c1 ZINC001171228685 1050722964 /nfs/dbraw/zinc/72/29/64/1050722964.db2.gz HWDATVVPLGEJIQ-CQSZACIVSA-N 1 0 314.379 4.290 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001171234085 1050731277 /nfs/dbraw/zinc/73/12/77/1050731277.db2.gz KLHJVNBUZAPKCW-KKSFZXQISA-N 1 0 322.427 4.335 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741723845 1050731453 /nfs/dbraw/zinc/73/14/53/1050731453.db2.gz UAORFJDPCSREHC-IMTSGYLASA-N 1 0 308.510 4.282 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001171234082 1050732188 /nfs/dbraw/zinc/73/21/88/1050732188.db2.gz KLHJVNBUZAPKCW-HRAATJIYSA-N 1 0 322.427 4.335 20 30 DIEDRO CCCCCCCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000772947703 1050737592 /nfs/dbraw/zinc/73/75/92/1050737592.db2.gz AYUFLJJHGLITLG-UYAOXDASSA-N 1 0 317.521 4.242 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(F)c(F)c1 ZINC000788755282 1050738041 /nfs/dbraw/zinc/73/80/41/1050738041.db2.gz RLGARMOCOUWNID-APPDUMDISA-N 1 0 304.340 4.033 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761182388 1050744010 /nfs/dbraw/zinc/74/40/10/1050744010.db2.gz CXNZXUQTXAIPGA-UHFFFAOYSA-N 1 0 324.490 4.039 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000772951837 1050755002 /nfs/dbraw/zinc/75/50/02/1050755002.db2.gz OZYDCEOZJJPXRV-QWRGUYRKSA-N 1 0 315.244 4.122 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1Cl ZINC000788819543 1050757865 /nfs/dbraw/zinc/75/78/65/1050757865.db2.gz TUNANWBAHXQSLI-AWEZNQCLSA-N 1 0 318.207 4.037 20 30 DIEDRO CC(C)Oc1ccc(CC#N)cc1-c1ccc([C@@H](C)[NH3+])c(F)c1 ZINC000596647066 1050763528 /nfs/dbraw/zinc/76/35/28/1050763528.db2.gz WIKYNOOKSBXDTI-CYBMUJFWSA-N 1 0 312.388 4.366 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CC1(Br)CC1)c1ccc(F)c(F)c1 ZINC000846860463 1050773899 /nfs/dbraw/zinc/77/38/99/1050773899.db2.gz JOEJNTYWXRNOTI-CYBMUJFWSA-N 1 0 316.189 4.099 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1ccccc1 ZINC000846922369 1050783168 /nfs/dbraw/zinc/78/31/68/1050783168.db2.gz WIBXJILUTWMTGR-INIZCTEOSA-N 1 0 317.795 4.399 20 30 DIEDRO CC(C)C1=[NH+]CCc2ccc(NCc3ccc(C#N)c(F)c3)cc21 ZINC001170096650 1050784831 /nfs/dbraw/zinc/78/48/31/1050784831.db2.gz ZUCGYHUZJAIIDT-UHFFFAOYSA-N 1 0 321.399 4.311 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979015 1050792102 /nfs/dbraw/zinc/79/21/02/1050792102.db2.gz DOYGMCZHSYPJLB-UHFFFAOYSA-N 1 0 320.436 4.272 20 30 DIEDRO C[C@H]([NH2+][C@H]1CSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958285 1050792226 /nfs/dbraw/zinc/79/22/26/1050792226.db2.gz DOOQXVQPXBPCQI-GUYCJALGSA-N 1 0 310.422 4.087 20 30 DIEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015452 1050796462 /nfs/dbraw/zinc/79/64/62/1050796462.db2.gz JFVOPIHGLAPCON-MRXNPFEDSA-N 1 0 320.436 4.010 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccn1 ZINC000596992064 1050797557 /nfs/dbraw/zinc/79/75/57/1050797557.db2.gz SRRJDBFDNKDSHL-UHFFFAOYSA-N 1 0 305.425 4.047 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742118996 1050801801 /nfs/dbraw/zinc/80/18/01/1050801801.db2.gz DWSULUBJQUFUHK-IBGZPJMESA-N 1 0 322.537 4.462 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CC[C@H]3CC3(Cl)Cl)CCC2)cc1 ZINC000847060725 1050804587 /nfs/dbraw/zinc/80/45/87/1050804587.db2.gz RWDLKBCGAYLCNJ-AWEZNQCLSA-N 1 0 309.240 4.111 20 30 DIEDRO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(C)(C)C#N ZINC000597083208 1050805526 /nfs/dbraw/zinc/80/55/26/1050805526.db2.gz PUXZPICLLDWXGL-SNVBAGLBSA-N 1 0 318.770 4.429 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@H](C)C1CCCCC1 ZINC000772958976 1050806235 /nfs/dbraw/zinc/80/62/35/1050806235.db2.gz JNBNJZSMHOWCQY-JKSUJKDBSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597085183 1050806341 /nfs/dbraw/zinc/80/63/41/1050806341.db2.gz SIPKLNLJGPTFLY-CJNGLKHVSA-N 1 0 322.374 4.405 20 30 DIEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC4(C3)CCCCC4)n2)cc1 ZINC000742167959 1050807373 /nfs/dbraw/zinc/80/73/73/1050807373.db2.gz WOIXRHDWDIFZKD-UHFFFAOYSA-N 1 0 320.440 4.035 20 30 DIEDRO CC(C)C1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000772961155 1050808011 /nfs/dbraw/zinc/80/80/11/1050808011.db2.gz ZKZXUZARIMHFED-HJOIGYKYSA-N 1 0 300.446 4.454 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3C)cc1 ZINC000772961077 1050808456 /nfs/dbraw/zinc/80/84/56/1050808456.db2.gz YYHAPAPZZVSYRK-KKSFZXQISA-N 1 0 305.421 4.345 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000772961141 1050808528 /nfs/dbraw/zinc/80/85/28/1050808528.db2.gz YVCIJHUUYUYNEV-LEWJYISDSA-N 1 0 320.436 4.323 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CCC(c4cccnc4)CC3)cc2)CC1 ZINC000597126997 1050808836 /nfs/dbraw/zinc/80/88/36/1050808836.db2.gz GTYZJPJAXDQJEK-UHFFFAOYSA-N 1 0 317.436 4.016 20 30 DIEDRO N#CC1(c2ccc(C[N@H+]3CC[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000597116746 1050809830 /nfs/dbraw/zinc/80/98/30/1050809830.db2.gz IUVURJATOKSXSS-CQSZACIVSA-N 1 0 308.347 4.016 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCSC4(CCC4)CC3)cc2)CC1 ZINC000597150760 1050814250 /nfs/dbraw/zinc/81/42/50/1050814250.db2.gz DAMKUJSZXVCCJH-UHFFFAOYSA-N 1 0 312.482 4.103 20 30 DIEDRO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2cccc3ccccc32)n1 ZINC000789325575 1050817123 /nfs/dbraw/zinc/81/71/23/1050817123.db2.gz HFEGFELWPKHLQY-KRWDZBQOSA-N 1 0 317.436 4.253 20 30 DIEDRO N#Cc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC001204062095 1050821028 /nfs/dbraw/zinc/82/10/28/1050821028.db2.gz GNVYTPGQWRXIEI-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)cc1C#N ZINC000742368197 1050823131 /nfs/dbraw/zinc/82/31/31/1050823131.db2.gz YSPVOVXULSPPDX-WOJBJXKFSA-N 1 0 320.436 4.383 20 30 DIEDRO CC(C)(C)OC(=O)CCC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000597199205 1050824197 /nfs/dbraw/zinc/82/41/97/1050824197.db2.gz PPNDKYJDWRWOGL-UHFFFAOYSA-N 1 0 322.493 4.150 20 30 DIEDRO COc1ccc(C[NH2+]Cc2cc3ccccc3s2)cc1C#N ZINC000742367619 1050823318 /nfs/dbraw/zinc/82/33/18/1050823318.db2.gz CZCDDWDTYBRNKZ-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO CC1(C)CCc2cc(C[NH2+]Cc3cc(C#N)ccc3F)ccc2O1 ZINC000742384018 1050826803 /nfs/dbraw/zinc/82/68/03/1050826803.db2.gz YIJBSCMJQMJDSF-UHFFFAOYSA-N 1 0 324.399 4.091 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC(CC)(CC)SC)cc1 ZINC000742387550 1050827087 /nfs/dbraw/zinc/82/70/87/1050827087.db2.gz DVEWTSMYLCGFQE-UHFFFAOYSA-N 1 0 305.487 4.100 20 30 DIEDRO C=CCC1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCOCC1 ZINC000597205689 1050827543 /nfs/dbraw/zinc/82/75/43/1050827543.db2.gz OOPYAHSLTYRCIP-UHFFFAOYSA-N 1 0 324.468 4.105 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC[C@@H](SC)C2)ccc1OC ZINC000742383574 1050827553 /nfs/dbraw/zinc/82/75/53/1050827553.db2.gz QJOUPTHKMXUQDC-HZPDHXFCSA-N 1 0 321.486 4.024 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000597237614 1050827817 /nfs/dbraw/zinc/82/78/17/1050827817.db2.gz GISCUWNLQZMKNY-UHFFFAOYSA-N 1 0 310.441 4.257 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc(C#N)c(F)c1 ZINC000593321267 1050831702 /nfs/dbraw/zinc/83/17/02/1050831702.db2.gz HFURXULLYBNEDM-KDOFPFPSSA-N 1 0 323.415 4.165 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc(OC)c1OC ZINC000742370328 1050831754 /nfs/dbraw/zinc/83/17/54/1050831754.db2.gz LHSGNNBGGCZSLB-WMLDXEAASA-N 1 0 303.446 4.101 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc(C#N)cc1F ZINC000593322062 1050832115 /nfs/dbraw/zinc/83/21/15/1050832115.db2.gz LIHSPLOZRPHJEK-WMLDXEAASA-N 1 0 323.415 4.165 20 30 DIEDRO CC(C)(C)C1CCC([NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000742370416 1050832160 /nfs/dbraw/zinc/83/21/60/1050832160.db2.gz RRQDDNPASDKHKP-UHFFFAOYSA-N 1 0 300.446 4.283 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000742375467 1050836824 /nfs/dbraw/zinc/83/68/24/1050836824.db2.gz ORNFTMUSDVLGMS-PMACEKPBSA-N 1 0 311.473 4.095 20 30 DIEDRO COc1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)cc1C#N ZINC000742377758 1050837805 /nfs/dbraw/zinc/83/78/05/1050837805.db2.gz HQDXDRQQRRPOIY-LJQANCHMSA-N 1 0 306.409 4.198 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000772982683 1050885555 /nfs/dbraw/zinc/88/55/55/1050885555.db2.gz FEVHODBEAUXTPW-GFIVTLFCSA-N 1 0 300.446 4.282 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2C(C)C)c1 ZINC000772982838 1050901896 /nfs/dbraw/zinc/90/18/96/1050901896.db2.gz FSZZUOPRXVGVKB-NZSAHSFTSA-N 1 0 300.446 4.282 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000772985246 1050906919 /nfs/dbraw/zinc/90/69/19/1050906919.db2.gz UZFBCAROPDLQPC-PXNSSMCTSA-N 1 0 324.399 4.284 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000772988498 1050925639 /nfs/dbraw/zinc/92/56/39/1050925639.db2.gz QNAZKVTVOLZBMG-IBGZPJMESA-N 1 0 323.436 4.257 20 30 DIEDRO CC(C)[PH+](CCNC(=O)c1cccc([C@H](C)C#N)c1)C(C)C ZINC001148628872 1050962596 /nfs/dbraw/zinc/96/25/96/1050962596.db2.gz JGYMORVXEBJACZ-OAHLLOKOSA-N 1 0 318.401 4.342 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccc(C#N)cc1 ZINC001171338988 1050975365 /nfs/dbraw/zinc/97/53/65/1050975365.db2.gz YIGNWLFULGZBSA-SJKOYZFVSA-N 1 0 312.363 4.045 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000790711917 1050989249 /nfs/dbraw/zinc/98/92/49/1050989249.db2.gz XGGLEPDZAJAXBI-MRXNPFEDSA-N 1 0 305.421 4.427 20 30 DIEDRO CCn1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000350660451 1050992744 /nfs/dbraw/zinc/99/27/44/1050992744.db2.gz OIUUFRSEVUCCTC-UHFFFAOYSA-N 1 0 324.472 4.050 20 30 DIEDRO C=CCOCCC[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000348172520 1051000993 /nfs/dbraw/zinc/00/09/93/1051000993.db2.gz XUXPEWKVUNIMAZ-OAHLLOKOSA-N 1 0 301.352 4.171 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc(C)cc1 ZINC000743258424 1051002330 /nfs/dbraw/zinc/00/23/30/1051002330.db2.gz SGKRMFQYKFHPCM-INIZCTEOSA-N 1 0 321.873 4.432 20 30 DIEDRO CC(C)[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000348205515 1051005196 /nfs/dbraw/zinc/00/51/96/1051005196.db2.gz JEJJQCQXMBTTFO-MRXNPFEDSA-N 1 0 315.417 4.150 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743264194 1051010546 /nfs/dbraw/zinc/01/05/46/1051010546.db2.gz SOJSOKOIJFFRKQ-FQEVSTJZSA-N 1 0 313.416 4.164 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000773014790 1051019396 /nfs/dbraw/zinc/01/93/96/1051019396.db2.gz LIWBGDYMZCPNHP-BXUZGUMPSA-N 1 0 302.245 4.361 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000773014793 1051019980 /nfs/dbraw/zinc/01/99/80/1051019980.db2.gz LIWBGDYMZCPNHP-SMDDNHRTSA-N 1 0 302.245 4.361 20 30 DIEDRO C#CCSCC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000773011906 1051020677 /nfs/dbraw/zinc/02/06/77/1051020677.db2.gz YTXIQCHYKMYKSA-NSHDSACASA-N 1 0 322.524 4.197 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001170148086 1051026606 /nfs/dbraw/zinc/02/66/06/1051026606.db2.gz FZDXGVKFYBZGSH-UKRRQHHQSA-N 1 0 318.848 4.243 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc2c(c1)CCCO2 ZINC000773030551 1051030184 /nfs/dbraw/zinc/03/01/84/1051030184.db2.gz SOVMPWLARNCSGJ-LJQANCHMSA-N 1 0 324.399 4.263 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000773030189 1051030500 /nfs/dbraw/zinc/03/05/00/1051030500.db2.gz MQBBWGNXUSVZCA-PKOBYXMFSA-N 1 0 312.363 4.262 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000773030130 1051030657 /nfs/dbraw/zinc/03/06/57/1051030657.db2.gz KXGMPYQGGQQCCJ-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2c(s1)CCC2 ZINC000773030148 1051030753 /nfs/dbraw/zinc/03/07/53/1051030753.db2.gz LHQAIKPFVGEZAN-LLVKDONJSA-N 1 0 300.402 4.098 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000773030576 1051030987 /nfs/dbraw/zinc/03/09/87/1051030987.db2.gz TZHCWBBAWSHUGB-AWEZNQCLSA-N 1 0 312.388 4.337 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773039152 1051035250 /nfs/dbraw/zinc/03/52/50/1051035250.db2.gz WKKWUIVXGPUOFN-INIZCTEOSA-N 1 0 302.437 4.270 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(C)CCOCC2)cc1 ZINC000773045786 1051037484 /nfs/dbraw/zinc/03/74/84/1051037484.db2.gz WTZDCEDHTDYMPL-HNNXBMFYSA-N 1 0 323.864 4.285 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2cccc(C#N)c2)c(O)c1 ZINC000743501065 1051037753 /nfs/dbraw/zinc/03/77/53/1051037753.db2.gz CACIKFNOFKPDBH-HSMAQGNYSA-N 1 0 321.424 4.290 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1ccc(C2([NH3+])CC2)cc1 ZINC001171374085 1051038407 /nfs/dbraw/zinc/03/84/07/1051038407.db2.gz MVNSSGQFTNBABP-HNNXBMFYSA-N 1 0 308.425 4.372 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]cc1C(F)(F)F ZINC001171374736 1051039653 /nfs/dbraw/zinc/03/96/53/1051039653.db2.gz UTYPPGWGSSRMDF-GFCCVEGCSA-N 1 0 322.330 4.260 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]cc1C(F)(F)F ZINC001171374737 1051040494 /nfs/dbraw/zinc/04/04/94/1051040494.db2.gz UTYPPGWGSSRMDF-LBPRGKRZSA-N 1 0 322.330 4.260 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001171376308 1051043082 /nfs/dbraw/zinc/04/30/82/1051043082.db2.gz SLCFPZWWKSLRNP-KSSFIOAISA-N 1 0 308.425 4.371 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cc(C)ccc1OC ZINC000773076926 1051052933 /nfs/dbraw/zinc/05/29/33/1051052933.db2.gz PHUISTNVMFUWID-GOSISDBHSA-N 1 0 324.424 4.125 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccc(F)n2)cc1 ZINC000773091394 1051058521 /nfs/dbraw/zinc/05/85/21/1051058521.db2.gz WVNMIUQRUWAOQR-ZDUSSCGKSA-N 1 0 320.795 4.203 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H]1CCCc2cc(OC)ccc21)c1ccccc1 ZINC000773106092 1051062882 /nfs/dbraw/zinc/06/28/82/1051062882.db2.gz JZYVZCFWYABEKX-RTWAWAEBSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000773105666 1051063547 /nfs/dbraw/zinc/06/35/47/1051063547.db2.gz IKMPZJNHPKRJQU-YJBOKZPZSA-N 1 0 308.381 4.318 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CC#C)c2ccccc2)cc1 ZINC000773115730 1051064889 /nfs/dbraw/zinc/06/48/89/1051064889.db2.gz OMFDVFMRFJZJOT-UTKZUKDTSA-N 1 0 303.405 4.114 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000773108227 1051065374 /nfs/dbraw/zinc/06/53/74/1051065374.db2.gz UFHPPRLTGFUZBK-VQIMIIECSA-N 1 0 322.408 4.270 20 30 DIEDRO C#CC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000773113855 1051067021 /nfs/dbraw/zinc/06/70/21/1051067021.db2.gz GBQHNQRRTOSZSD-QFIPXVFZSA-N 1 0 318.464 4.005 20 30 DIEDRO Cc1ccc([C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)c(C)c1 ZINC000791606910 1051067677 /nfs/dbraw/zinc/06/76/77/1051067677.db2.gz WFZHUPGLYPUVMQ-LJQANCHMSA-N 1 0 320.436 4.195 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000773117004 1051067978 /nfs/dbraw/zinc/06/79/78/1051067978.db2.gz SSRXSHWYEJWMMS-LAUBAEHRSA-N 1 0 315.420 4.288 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](CC)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000773118039 1051069057 /nfs/dbraw/zinc/06/90/57/1051069057.db2.gz YICULNZKTDLCMW-RTBURBONSA-N 1 0 321.420 4.263 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000773133702 1051072981 /nfs/dbraw/zinc/07/29/81/1051072981.db2.gz RTKWTESCTOECEL-UONOGXRCSA-N 1 0 315.363 4.389 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccc(OCC#N)cc1 ZINC000037198912 1051113325 /nfs/dbraw/zinc/11/33/25/1051113325.db2.gz WQWPXUJDZQTWSP-ZDUSSCGKSA-N 1 0 300.789 4.093 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000792217345 1051130941 /nfs/dbraw/zinc/13/09/41/1051130941.db2.gz BOVAFTIANVZMEG-UHFFFAOYSA-N 1 0 318.509 4.154 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1C)c1ccccc1 ZINC000792273239 1051132876 /nfs/dbraw/zinc/13/28/76/1051132876.db2.gz TWILAMRAADPTNT-NRFANRHFSA-N 1 0 315.420 4.035 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001171459301 1051140088 /nfs/dbraw/zinc/14/00/88/1051140088.db2.gz SRMOFNUGRMWTNB-WMZOPIPTSA-N 1 0 312.457 4.215 20 30 DIEDRO C#CC[C@@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC001171489236 1051143615 /nfs/dbraw/zinc/14/36/15/1051143615.db2.gz DNJHDUNAYDVWQL-OAHLLOKOSA-N 1 0 302.487 4.426 20 30 DIEDRO Cc1ccc(C[N@H+](CC#Cc2ccc(Cl)cc2)CC2CC2)cn1 ZINC001171501206 1051156559 /nfs/dbraw/zinc/15/65/59/1051156559.db2.gz HVOIZGVURUPEIB-UHFFFAOYSA-N 1 0 324.855 4.307 20 30 DIEDRO N#CCOc1ccccc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001212600464 1051164304 /nfs/dbraw/zinc/16/43/04/1051164304.db2.gz VLOLTVSFXJQBHN-UHFFFAOYSA-N 1 0 321.424 4.318 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001170257281 1051166278 /nfs/dbraw/zinc/16/62/78/1051166278.db2.gz XORMAJOKROMCRG-RWBZWWBESA-N 1 0 302.849 4.477 20 30 DIEDRO Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CCc3c1cccc3C#N)C2 ZINC001171559771 1051166493 /nfs/dbraw/zinc/16/64/93/1051166493.db2.gz MHNJNSXFBXQQDU-LAUBAEHRSA-N 1 0 302.421 4.001 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@@H](C)Cc2ccccc2Cl)cc1C ZINC001170264400 1051168164 /nfs/dbraw/zinc/16/81/64/1051168164.db2.gz YRSQGYGLCXDSHE-AWEZNQCLSA-N 1 0 300.833 4.293 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001170255244 1051175578 /nfs/dbraw/zinc/17/55/78/1051175578.db2.gz CWJGEEFAVCFWMV-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC001170308307 1051187019 /nfs/dbraw/zinc/18/70/19/1051187019.db2.gz OGXUWDBRPHGRKI-FQEVSTJZSA-N 1 0 301.540 4.360 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(F)cn1 ZINC001170359395 1051189503 /nfs/dbraw/zinc/18/95/03/1051189503.db2.gz VMMFFHSORQXSRJ-IJNIYJAUSA-N 1 0 323.415 4.275 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC[C@H]2F)CC1 ZINC001170360207 1051190091 /nfs/dbraw/zinc/19/00/91/1051190091.db2.gz RJTOSOQFKJVGEH-WEOZKBJRSA-N 1 0 300.421 4.118 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3ncccc32)CC1 ZINC001170364567 1051193788 /nfs/dbraw/zinc/19/37/88/1051193788.db2.gz ADIUKFDWOPEQIO-SGDIKTSBSA-N 1 0 317.436 4.063 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(CF)CC2)CC1 ZINC001170389456 1051195785 /nfs/dbraw/zinc/19/57/85/1051195785.db2.gz SZCVJRXMVNAOQT-UHFFFAOYSA-N 1 0 300.421 4.072 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001170388998 1051195791 /nfs/dbraw/zinc/19/57/91/1051195791.db2.gz IYLMBKAREGJXIQ-LSJNQWAISA-N 1 0 318.411 4.368 20 30 DIEDRO C#CCCC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171644520 1051197582 /nfs/dbraw/zinc/19/75/82/1051197582.db2.gz CUUIPERWLSDZOE-UHFFFAOYSA-N 1 0 320.274 4.478 20 30 DIEDRO C[N@H+](Cc1cccc(O)c1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378544 1051199157 /nfs/dbraw/zinc/19/91/57/1051199157.db2.gz DRFVYOIUXJMEES-UHFFFAOYSA-N 1 0 320.436 4.228 20 30 DIEDRO CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCOC1 ZINC001171730258 1051201532 /nfs/dbraw/zinc/20/15/32/1051201532.db2.gz SPZDTSLTUWHLPS-HXUWFJFHSA-N 1 0 320.436 4.226 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001171841341 1051231136 /nfs/dbraw/zinc/23/11/36/1051231136.db2.gz NHPGFKQQCHPAQT-AWEZNQCLSA-N 1 0 313.363 4.372 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001171920746 1051240222 /nfs/dbraw/zinc/24/02/22/1051240222.db2.gz MLOHSUDNTBAFTD-UKRRQHHQSA-N 1 0 308.809 4.473 20 30 DIEDRO CCC(C)(C)[C@H](C)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001171917479 1051241023 /nfs/dbraw/zinc/24/10/23/1051241023.db2.gz XMHCYNATCVCPIO-ZDUSSCGKSA-N 1 0 313.363 4.351 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(CCc2ccccc2)n1 ZINC001171920583 1051242118 /nfs/dbraw/zinc/24/21/18/1051242118.db2.gz JECPENQPVTYKHS-TZIWHRDSSA-N 1 0 323.484 4.350 20 30 DIEDRO N#Cc1ccc(OCCC[NH2+][C@@H]2CCCC23CCCCC3)cc1 ZINC001171929897 1051251087 /nfs/dbraw/zinc/25/10/87/1051251087.db2.gz CIOUAMQXGINQBG-LJQANCHMSA-N 1 0 312.457 4.420 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001171971855 1051261589 /nfs/dbraw/zinc/26/15/89/1051261589.db2.gz APOJZACIVFSZEY-HIFRSBDPSA-N 1 0 310.363 4.262 20 30 DIEDRO CC(C)(C)C#CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975146 1051263957 /nfs/dbraw/zinc/26/39/57/1051263957.db2.gz LEIOWNJLGYKQQX-LJQANCHMSA-N 1 0 312.501 4.069 20 30 DIEDRO CCC[C@@](C)(C#N)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980156 1051267969 /nfs/dbraw/zinc/26/79/69/1051267969.db2.gz PNPNEEZXMRXPEB-ICSRJNTNSA-N 1 0 313.489 4.102 20 30 DIEDRO CCC[C@@](C)(C#N)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980157 1051269995 /nfs/dbraw/zinc/26/99/95/1051269995.db2.gz PNPNEEZXMRXPEB-QUCCMNQESA-N 1 0 313.489 4.102 20 30 DIEDRO CC(C)(C)C#CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076685 1051279778 /nfs/dbraw/zinc/27/97/78/1051279778.db2.gz KZLFSGFPPNPESP-MZADTFQBSA-N 1 0 324.512 4.211 20 30 DIEDRO CCCCCCCCCCCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172125438 1051288445 /nfs/dbraw/zinc/28/84/45/1051288445.db2.gz YAXRYXNCPMUUQA-IHWFROFDSA-N 1 0 324.553 4.359 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000793523206 1051307604 /nfs/dbraw/zinc/30/76/04/1051307604.db2.gz PPHFVVKTPIWRFB-GOSISDBHSA-N 1 0 316.489 4.138 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000793523208 1051307619 /nfs/dbraw/zinc/30/76/19/1051307619.db2.gz PPHFVVKTPIWRFB-SFHVURJKSA-N 1 0 316.489 4.138 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000793522969 1051308262 /nfs/dbraw/zinc/30/82/62/1051308262.db2.gz CDNYRDJYRZDXHE-CQSZACIVSA-N 1 0 306.416 4.128 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)c1ccncc1 ZINC000793538840 1051313770 /nfs/dbraw/zinc/31/37/70/1051313770.db2.gz CVODYUYAJXCMNI-NOOVBMIQSA-N 1 0 322.452 4.489 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000793543627 1051316153 /nfs/dbraw/zinc/31/61/53/1051316153.db2.gz VWCHUYJEPISMGR-KBPBESRZSA-N 1 0 301.434 4.444 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000793549741 1051316888 /nfs/dbraw/zinc/31/68/88/1051316888.db2.gz PZAZQESHYAUKTN-GFCCVEGCSA-N 1 0 303.372 4.054 20 30 DIEDRO N#Cc1cccc(N)c1Nc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001215712179 1051319203 /nfs/dbraw/zinc/31/92/03/1051319203.db2.gz AUWAJFHGXWXBRG-UHFFFAOYSA-N 1 0 324.403 4.009 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000793529849 1051320553 /nfs/dbraw/zinc/32/05/53/1051320553.db2.gz XTOVNNKKEGRHDB-HOTGVXAUSA-N 1 0 314.473 4.381 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000793529851 1051321241 /nfs/dbraw/zinc/32/12/41/1051321241.db2.gz XTOVNNKKEGRHDB-JKSUJKDBSA-N 1 0 314.473 4.381 20 30 DIEDRO C#CCN(Cc1cnc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000793590099 1051323727 /nfs/dbraw/zinc/32/37/27/1051323727.db2.gz LUSGUEREIKJHNM-UHFFFAOYSA-N 1 0 302.830 4.061 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2cccc(C#N)c2F)c1 ZINC001215726322 1051327027 /nfs/dbraw/zinc/32/70/27/1051327027.db2.gz CKHVQWNVBCRIOO-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001172300505 1051331337 /nfs/dbraw/zinc/33/13/37/1051331337.db2.gz XIRRNLLACDKTBZ-OLZOCXBDSA-N 1 0 300.352 4.118 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301138 1051331555 /nfs/dbraw/zinc/33/15/55/1051331555.db2.gz KYEPXAXCUULZOG-OXJNMPFZSA-N 1 0 319.452 4.098 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc2sccc2c1 ZINC001172302390 1051332137 /nfs/dbraw/zinc/33/21/37/1051332137.db2.gz JMBJKQHLGHERAU-AWEZNQCLSA-N 1 0 306.434 4.494 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001172300506 1051332500 /nfs/dbraw/zinc/33/25/00/1051332500.db2.gz XIRRNLLACDKTBZ-STQMWFEESA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001172306109 1051333068 /nfs/dbraw/zinc/33/30/68/1051333068.db2.gz WNNVIRBFUBJPCT-UZLBHIALSA-N 1 0 304.437 4.199 20 30 DIEDRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172303745 1051333688 /nfs/dbraw/zinc/33/36/88/1051333688.db2.gz DNROKEQSJBBDLE-CVEARBPZSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001172303781 1051333885 /nfs/dbraw/zinc/33/38/85/1051333885.db2.gz FARIVHRUTQHUIR-ORYQWCPZSA-N 1 0 304.437 4.415 20 30 DIEDRO COc1cccc([C@H]([NH2+][C@@H](C)Cc2ccc(C#N)cc2)C2CC2)c1 ZINC001172303949 1051333956 /nfs/dbraw/zinc/33/39/56/1051333956.db2.gz GSAUFMDIUYHZGE-YCRPNKLZSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001172305998 1051333960 /nfs/dbraw/zinc/33/39/60/1051333960.db2.gz HNYJYUIKRPQRHJ-UWJYYQICSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001172307270 1051334004 /nfs/dbraw/zinc/33/40/04/1051334004.db2.gz NMKVMXLXTVDWOG-YWZLYKJASA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001172305528 1051334296 /nfs/dbraw/zinc/33/42/96/1051334296.db2.gz SSNDFEYYQOYNCN-KZULUSFZSA-N 1 0 312.363 4.045 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001172310882 1051335722 /nfs/dbraw/zinc/33/57/22/1051335722.db2.gz KZRUUHYLKGIAHE-FOIQADDNSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1c1ccccc1F ZINC001172307967 1051336011 /nfs/dbraw/zinc/33/60/11/1051336011.db2.gz RSJCQSUNDKPGTM-FOIQADDNSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001172309775 1051336135 /nfs/dbraw/zinc/33/61/35/1051336135.db2.gz WWYGQCWCCNOWOX-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO C[NH2+]Cc1ccc2c(ccn2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172314415 1051337917 /nfs/dbraw/zinc/33/79/17/1051337917.db2.gz JMQHLTNFJBEFLE-OAHLLOKOSA-N 1 0 303.409 4.036 20 30 DIEDRO CC(C)c1nc(C[N@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172318813 1051339618 /nfs/dbraw/zinc/33/96/18/1051339618.db2.gz JGBOESFNQDNHSE-CQSZACIVSA-N 1 0 313.470 4.201 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172319521 1051339741 /nfs/dbraw/zinc/33/97/41/1051339741.db2.gz NUEFQXBQGCMXLQ-CVEARBPZSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001172318782 1051339761 /nfs/dbraw/zinc/33/97/61/1051339761.db2.gz INPHTRAPVJPRIY-HNNXBMFYSA-N 1 0 312.844 4.317 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2ccc(C#N)c(F)c2F)cc1 ZINC001215746421 1051340346 /nfs/dbraw/zinc/34/03/46/1051340346.db2.gz KMEPJBMTXWRFEW-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2c(F)ccc(F)c2C#N)cc1 ZINC001215745980 1051340949 /nfs/dbraw/zinc/34/09/49/1051340949.db2.gz BUXKOIKHVHSNTI-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1C(F)F ZINC001172289499 1051346806 /nfs/dbraw/zinc/34/68/06/1051346806.db2.gz DFKSAHNHRPOUEA-CYBMUJFWSA-N 1 0 300.352 4.217 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172291132 1051346893 /nfs/dbraw/zinc/34/68/93/1051346893.db2.gz WKJPXYFFFKQGHZ-INIZCTEOSA-N 1 0 308.425 4.066 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001172289909 1051347217 /nfs/dbraw/zinc/34/72/17/1051347217.db2.gz JYGCSJQTOSWDRE-CYBMUJFWSA-N 1 0 300.352 4.217 20 30 DIEDRO Cc1ccc(F)c(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1Cl ZINC001172289264 1051347301 /nfs/dbraw/zinc/34/73/01/1051347301.db2.gz AXHSLFBJWNJOKJ-ZDUSSCGKSA-N 1 0 316.807 4.380 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172289783 1051347762 /nfs/dbraw/zinc/34/77/62/1051347762.db2.gz HSFIKVYTDSEYPA-HUUCEWRRSA-N 1 0 303.409 4.336 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001172289244 1051348027 /nfs/dbraw/zinc/34/80/27/1051348027.db2.gz ALXCCJSDNVIJLB-ZDUSSCGKSA-N 1 0 300.352 4.217 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc2ccccc2s1 ZINC001172295002 1051350056 /nfs/dbraw/zinc/35/00/56/1051350056.db2.gz OZZRTGOMBBSUOY-AWEZNQCLSA-N 1 0 306.434 4.494 20 30 DIEDRO CC(C)c1ccc(CC[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172299608 1051350668 /nfs/dbraw/zinc/35/06/68/1051350668.db2.gz MJLNHSRJABQSQF-QGZVFWFLSA-N 1 0 306.453 4.445 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001172298166 1051350711 /nfs/dbraw/zinc/35/07/11/1051350711.db2.gz FAGAKJXDYILTFL-CZUORRHYSA-N 1 0 304.384 4.047 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC1CCC(F)(F)CC1 ZINC001172297056 1051350800 /nfs/dbraw/zinc/35/08/00/1051350800.db2.gz NGUMZYGBSOEQTR-CQSZACIVSA-N 1 0 306.400 4.294 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2ccc(Cl)cc2C1 ZINC001172297076 1051350810 /nfs/dbraw/zinc/35/08/10/1051350810.db2.gz NISPTEQQNWEWQB-JLTOFOAXSA-N 1 0 324.855 4.290 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1cccc(F)c1)C1CC1 ZINC001172299316 1051351184 /nfs/dbraw/zinc/35/11/84/1051351184.db2.gz JNYACEZYKDZJRL-XOBRGWDASA-N 1 0 308.400 4.369 20 30 DIEDRO COc1cccc(C(C)(C)[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172299143 1051351545 /nfs/dbraw/zinc/35/15/45/1051351545.db2.gz JQCMJEMXSVNUKB-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC001172300059 1051352656 /nfs/dbraw/zinc/35/26/56/1051352656.db2.gz RMYNWUSYKIQSOP-HNNXBMFYSA-N 1 0 308.400 4.297 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC001172299794 1051352961 /nfs/dbraw/zinc/35/29/61/1051352961.db2.gz NXZPNJPPPZHFHP-JLTOFOAXSA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(Cc2cccc(F)c2)CC1 ZINC001172299921 1051353543 /nfs/dbraw/zinc/35/35/43/1051353543.db2.gz PJWZKFQVZVVXAS-INIZCTEOSA-N 1 0 322.427 4.241 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1C ZINC001172380361 1051357091 /nfs/dbraw/zinc/35/70/91/1051357091.db2.gz RVNPPZJPCJEYFZ-SOLBZPMBSA-N 1 0 312.457 4.226 20 30 DIEDRO CCCCCCCCCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000794207963 1051360113 /nfs/dbraw/zinc/36/01/13/1051360113.db2.gz BQBNNBSUHJALOF-UHFFFAOYSA-N 1 0 308.510 4.260 20 30 DIEDRO CC[C@@H](C)OCC[C@H](C)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001172341070 1051362517 /nfs/dbraw/zinc/36/25/17/1051362517.db2.gz SIKFGLTWHHKIIM-ZWKOTPCHSA-N 1 0 314.473 4.137 20 30 DIEDRO CC[C@H](C)OCC[C@@H](C)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001172341063 1051362760 /nfs/dbraw/zinc/36/27/60/1051362760.db2.gz SIKFGLTWHHKIIM-MSOLQXFVSA-N 1 0 314.473 4.137 20 30 DIEDRO CC[C@H](C)OCC[C@H](C)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001172341068 1051363242 /nfs/dbraw/zinc/36/32/42/1051363242.db2.gz SIKFGLTWHHKIIM-ROUUACIJSA-N 1 0 314.473 4.137 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001172346268 1051365099 /nfs/dbraw/zinc/36/50/99/1051365099.db2.gz HVQIYANQOCSUHP-QZTJIDSGSA-N 1 0 307.478 4.024 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H](CCO)c1ccc(N)cc1 ZINC001172349867 1051365936 /nfs/dbraw/zinc/36/59/36/1051365936.db2.gz GXKCJRBLRZITNB-MOPGFXCFSA-N 1 0 306.494 4.421 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC001172350032 1051366494 /nfs/dbraw/zinc/36/64/94/1051366494.db2.gz IKGSJECTWRMXBB-INIZCTEOSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1cncc(C(=O)OC)c1 ZINC001172350973 1051367890 /nfs/dbraw/zinc/36/78/90/1051367890.db2.gz QLTGSXASQPMPCI-KRWDZBQOSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)C(=O)NC2 ZINC001172352122 1051368919 /nfs/dbraw/zinc/36/89/19/1051368919.db2.gz YWUOXJRWRDWVSS-QGZVFWFLSA-N 1 0 302.462 4.159 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1cncn1C1CCOCC1 ZINC001172357042 1051371927 /nfs/dbraw/zinc/37/19/27/1051371927.db2.gz IYCRTTQQHVDNES-KRWDZBQOSA-N 1 0 321.509 4.463 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001172356914 1051372616 /nfs/dbraw/zinc/37/26/16/1051372616.db2.gz ZQHPCPPTYGPNBZ-MJGOQNOKSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccc2nnc(C)n2c1 ZINC001172359551 1051373128 /nfs/dbraw/zinc/37/31/28/1051373128.db2.gz YCUKMMYLVGLXFJ-KRWDZBQOSA-N 1 0 302.466 4.266 20 30 DIEDRO CCCCCCC[C@H](CC)[N@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001172359938 1051374006 /nfs/dbraw/zinc/37/40/06/1051374006.db2.gz GKAJFYGACZOBQU-RBUKOAKNSA-N 1 0 310.526 4.457 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(C#N)(C(=O)OCC)CC1 ZINC001172361875 1051375294 /nfs/dbraw/zinc/37/52/94/1051375294.db2.gz OQKNSFGPPLWGIL-KRWDZBQOSA-N 1 0 322.493 4.294 20 30 DIEDRO CCCCCC[C@H](CCC)[NH+]1CCC(C#N)(C(=O)OCC)CC1 ZINC001172383646 1051388764 /nfs/dbraw/zinc/38/87/64/1051388764.db2.gz OMUGDXYDRJMOCU-KRWDZBQOSA-N 1 0 322.493 4.294 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](CC)CC(C)C)[C@@H]2CC ZINC001172399405 1051398335 /nfs/dbraw/zinc/39/83/35/1051398335.db2.gz GZEHBPKKTULLSI-GGPKGHCWSA-N 1 0 320.521 4.233 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H](OCc2ccccc2)CC1 ZINC001172476574 1051401763 /nfs/dbraw/zinc/40/17/63/1051401763.db2.gz NVWKMFFYUZLGPI-BHIYHBOVSA-N 1 0 300.446 4.186 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC001172477971 1051401891 /nfs/dbraw/zinc/40/18/91/1051401891.db2.gz AOQLONHWKNPBMI-CRAIPNDOSA-N 1 0 319.880 4.149 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC001172475720 1051402325 /nfs/dbraw/zinc/40/23/25/1051402325.db2.gz AEUWHRMRYHBBJR-BHIYHBOVSA-N 1 0 300.446 4.186 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC001172486676 1051403860 /nfs/dbraw/zinc/40/38/60/1051403860.db2.gz CQHOQOVVIAALLQ-BLLLJJGKSA-N 1 0 321.262 4.498 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC001172481198 1051403871 /nfs/dbraw/zinc/40/38/71/1051403871.db2.gz QMXJBIUVCWRCPP-UWVGGRQHSA-N 1 0 301.253 4.244 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC001172480626 1051403791 /nfs/dbraw/zinc/40/37/91/1051403791.db2.gz WDOOFZAOJFJUCA-GFCCVEGCSA-N 1 0 309.251 4.356 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](CC1CCOCC1)c1cccc(F)c1 ZINC001172486386 1051404593 /nfs/dbraw/zinc/40/45/93/1051404593.db2.gz DQDWJUGXRHPGJI-HNAYVOBHSA-N 1 0 318.436 4.355 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](c1ccc(C(F)(F)F)cn1)C1CC1 ZINC001172486464 1051404756 /nfs/dbraw/zinc/40/47/56/1051404756.db2.gz FCHNLLUBWZVMNK-IAQYHMDHSA-N 1 0 311.351 4.223 20 30 DIEDRO COc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CCCC#N)c1OC ZINC001172489437 1051416445 /nfs/dbraw/zinc/41/64/45/1051416445.db2.gz RRKLGLNYGBIOJS-RYUDHWBXSA-N 1 0 310.825 4.090 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC001170452222 1051416614 /nfs/dbraw/zinc/41/66/14/1051416614.db2.gz SSIRAVSFEPCVLU-QGZVFWFLSA-N 1 0 318.873 4.372 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001172487692 1051416805 /nfs/dbraw/zinc/41/68/05/1051416805.db2.gz MSGSRFDSGFUPSF-HNNXBMFYSA-N 1 0 321.415 4.244 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC001172487727 1051417047 /nfs/dbraw/zinc/41/70/47/1051417047.db2.gz IZFRDENRMJHVNQ-OLZOCXBDSA-N 1 0 309.251 4.052 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC001172491647 1051417976 /nfs/dbraw/zinc/41/79/76/1051417976.db2.gz HWPVAMKXOKEJGF-LBPRGKRZSA-N 1 0 303.406 4.121 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000797999279 1051418102 /nfs/dbraw/zinc/41/81/02/1051418102.db2.gz SHRMSSMKQMULOK-NUTKFTJISA-N 1 0 309.837 4.068 20 30 DIEDRO CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H](C)CCCC#N ZINC001172498086 1051418447 /nfs/dbraw/zinc/41/84/47/1051418447.db2.gz IPPWIJAXSGNVJY-DLBZAZTESA-N 1 0 315.461 4.116 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(Br)cc1Cl ZINC001172490871 1051418692 /nfs/dbraw/zinc/41/86/92/1051418692.db2.gz LVLMRFLRPGCQQA-JTQLQIEISA-N 1 0 315.642 4.274 20 30 DIEDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H](C)CCCC#N ZINC001172492558 1051418699 /nfs/dbraw/zinc/41/86/99/1051418699.db2.gz SMTQNEGNKTZMHC-KSSFIOAISA-N 1 0 300.446 4.304 20 30 DIEDRO COc1cccc(CC2(C[NH2+][C@@H](C)CCCC#N)CCC2)c1 ZINC001172494374 1051418784 /nfs/dbraw/zinc/41/87/84/1051418784.db2.gz ZUAZSCFEJOQUJM-INIZCTEOSA-N 1 0 300.446 4.080 20 30 DIEDRO CCC[N@H+]([C@@H](C)CCCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC001172498088 1051418808 /nfs/dbraw/zinc/41/88/08/1051418808.db2.gz IPPWIJAXSGNVJY-IRXDYDNUSA-N 1 0 315.461 4.116 20 30 DIEDRO COc1cccc2c1CC[C@H](CCC[NH2+][C@@H](C)CCCC#N)C2 ZINC001172492343 1051418832 /nfs/dbraw/zinc/41/88/32/1051418832.db2.gz MTUGJMOYTAKSIS-IRXDYDNUSA-N 1 0 314.473 4.252 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CC1)OCc1cc(Cl)ccc12 ZINC001172497962 1051418889 /nfs/dbraw/zinc/41/88/89/1051418889.db2.gz HXFJHZAPSWBZGT-AWEZNQCLSA-N 1 0 318.848 4.244 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001172495041 1051418973 /nfs/dbraw/zinc/41/89/73/1051418973.db2.gz MCPJZQDVKZFACK-YZGWKJHDSA-N 1 0 312.457 4.107 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(Cc2ccccc2Cl)CCOCC1 ZINC001172494202 1051419035 /nfs/dbraw/zinc/41/90/35/1051419035.db2.gz XUKJPVXUTNRMLT-HNNXBMFYSA-N 1 0 320.864 4.104 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](c1cccnc1C(F)(F)F)C1CC1 ZINC001172492547 1051419078 /nfs/dbraw/zinc/41/90/78/1051419078.db2.gz SMGUTKRHCWLMDC-SMDDNHRTSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC2(CC1)OCc1ccc(Cl)cc12 ZINC001172498398 1051419086 /nfs/dbraw/zinc/41/90/86/1051419086.db2.gz MJPVSPRPAGVIIY-CQSZACIVSA-N 1 0 318.848 4.244 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001172499327 1051420275 /nfs/dbraw/zinc/42/02/75/1051420275.db2.gz CWYLHOJUGARPIJ-YOEHRIQHSA-N 1 0 306.837 4.266 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001172501537 1051420463 /nfs/dbraw/zinc/42/04/63/1051420463.db2.gz DABNOHCGALQGQX-MRXNPFEDSA-N 1 0 317.539 4.073 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC(Cc2ccc(F)cc2F)CC1 ZINC001172499196 1051420528 /nfs/dbraw/zinc/42/05/28/1051420528.db2.gz VLDUZTFJTSTHFY-CQSZACIVSA-N 1 0 306.400 4.302 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC001172501313 1051420595 /nfs/dbraw/zinc/42/05/95/1051420595.db2.gz GJTURJWXJZDXCL-RTBURBONSA-N 1 0 310.526 4.364 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC001172498918 1051420924 /nfs/dbraw/zinc/42/09/24/1051420924.db2.gz SZYSSPITWYZORH-KRWDZBQOSA-N 1 0 313.489 4.188 20 30 DIEDRO CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)[C@@H](C)CCCC#N)CC1 ZINC001172499316 1051420933 /nfs/dbraw/zinc/42/09/33/1051420933.db2.gz WEFZPERHISJYNU-BZSNNMDCSA-N 1 0 322.493 4.150 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001172502218 1051422066 /nfs/dbraw/zinc/42/20/66/1051422066.db2.gz TWMQTZDHVPTSDE-FRQCXROJSA-N 1 0 300.446 4.074 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001172503258 1051422257 /nfs/dbraw/zinc/42/22/57/1051422257.db2.gz XBTCESFKUJYYJR-INIZCTEOSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001172504931 1051422465 /nfs/dbraw/zinc/42/24/65/1051422465.db2.gz JAABQRASOLLGFM-ROUUACIJSA-N 1 0 321.509 4.153 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1cn2cccnc2n1 ZINC001172504639 1051422524 /nfs/dbraw/zinc/42/25/24/1051422524.db2.gz HKJCSOAKDRELHP-INIZCTEOSA-N 1 0 302.466 4.348 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]CC(=O)NCc1ccco1 ZINC001172507870 1051423957 /nfs/dbraw/zinc/42/39/57/1051423957.db2.gz CGUDNBBLICIKGP-INIZCTEOSA-N 1 0 308.466 4.015 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1Cc2ccc(Br)cc2C[C@@H]1C ZINC001172506378 1051424821 /nfs/dbraw/zinc/42/48/21/1051424821.db2.gz SGPBFLVJDQVVRJ-OLZOCXBDSA-N 1 0 321.262 4.278 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001172505237 1051425015 /nfs/dbraw/zinc/42/50/15/1051425015.db2.gz KRJOHYOWYCPIHV-CVEARBPZSA-N 1 0 300.487 4.025 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1Cc2ccc(Br)cc2C[C@@H]1C ZINC001172506380 1051425030 /nfs/dbraw/zinc/42/50/30/1051425030.db2.gz SGPBFLVJDQVVRJ-STQMWFEESA-N 1 0 321.262 4.278 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC001172506695 1051425394 /nfs/dbraw/zinc/42/53/94/1051425394.db2.gz ZMPMQCDFVLEGES-OLZOCXBDSA-N 1 0 321.262 4.278 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000766440168 1051425625 /nfs/dbraw/zinc/42/56/25/1051425625.db2.gz UDPUUXFDRCOENM-JOCBIADPSA-N 1 0 300.446 4.282 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CCN(C(=O)C2CC2)C1 ZINC001172509216 1051426271 /nfs/dbraw/zinc/42/62/71/1051426271.db2.gz UBLUGULMNWMTDJ-MSOLQXFVSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCN(c2ccncn2)C1 ZINC001172508469 1051426409 /nfs/dbraw/zinc/42/64/09/1051426409.db2.gz KLDWRILWCPRTPO-ZWKOTPCHSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1cc2n(n1)CCCO2 ZINC001172508934 1051426458 /nfs/dbraw/zinc/42/64/58/1051426458.db2.gz RDLRMOMMZSGJFV-INIZCTEOSA-N 1 0 307.482 4.284 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]([C@@H](C)CCCC#N)C2)c1 ZINC001172508837 1051426595 /nfs/dbraw/zinc/42/65/95/1051426595.db2.gz HQNLLWUEYQRRQV-WMZOPIPTSA-N 1 0 300.446 4.032 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001172510345 1051426675 /nfs/dbraw/zinc/42/66/75/1051426675.db2.gz ACJDEQATMIRLHT-FUHWJXTLSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1cn(CCOC)cn1 ZINC001172508764 1051426852 /nfs/dbraw/zinc/42/68/52/1051426852.db2.gz OBKFILZKLYASSY-KRWDZBQOSA-N 1 0 309.498 4.148 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001172509197 1051427049 /nfs/dbraw/zinc/42/70/49/1051427049.db2.gz TZBOSQKYSSJLAK-KRWDZBQOSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001172511100 1051427963 /nfs/dbraw/zinc/42/79/63/1051427963.db2.gz MXFGXEHXRCBUEG-INIZCTEOSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001172511269 1051428561 /nfs/dbraw/zinc/42/85/61/1051428561.db2.gz PRDVPPXLRGNBER-LJQANCHMSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001172511019 1051428876 /nfs/dbraw/zinc/42/88/76/1051428876.db2.gz LYXMTRKWXXISEH-KRWDZBQOSA-N 1 0 322.493 4.294 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001172511769 1051428908 /nfs/dbraw/zinc/42/89/08/1051428908.db2.gz WPHWXKGBOHEGEY-SJORKVTESA-N 1 0 317.539 4.025 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC000766487891 1051430092 /nfs/dbraw/zinc/43/00/92/1051430092.db2.gz NGCOTMWRYYSDEH-CYBMUJFWSA-N 1 0 317.791 4.342 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCC(C)(O)CC2)cc1 ZINC000766478959 1051433625 /nfs/dbraw/zinc/43/36/25/1051433625.db2.gz JOSHNLNLQLDXHQ-NXVRBGIVSA-N 1 0 323.864 4.162 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172563980 1051442058 /nfs/dbraw/zinc/44/20/58/1051442058.db2.gz SIBLIWXNUUFPAA-CTNGQTDRSA-N 1 0 302.421 4.253 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172562529 1051442572 /nfs/dbraw/zinc/44/25/72/1051442572.db2.gz FWFVIMWHWKRSGN-WIYYLYMNSA-N 1 0 302.421 4.253 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC001172561363 1051443107 /nfs/dbraw/zinc/44/31/07/1051443107.db2.gz VVKGNIUOYDFWBM-WOJBJXKFSA-N 1 0 320.436 4.253 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537550 1051451490 /nfs/dbraw/zinc/45/14/90/1051451490.db2.gz PXDCOYAYBCARDC-UYAOXDASSA-N 1 0 320.436 4.253 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172578790 1051463388 /nfs/dbraw/zinc/46/33/88/1051463388.db2.gz ROZUNVKUXZSURA-CMPLNLGQSA-N 1 0 300.780 4.221 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)cc1 ZINC000766529551 1051467959 /nfs/dbraw/zinc/46/79/59/1051467959.db2.gz PUMLECZYLPHTGW-LAUBAEHRSA-N 1 0 322.452 4.184 20 30 DIEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172650786 1051470089 /nfs/dbraw/zinc/47/00/89/1051470089.db2.gz OBJKWBMWWHKXRG-CVEARBPZSA-N 1 0 310.482 4.063 20 30 DIEDRO C=C(C)C[NH2+]C1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170457589 1051470098 /nfs/dbraw/zinc/47/00/98/1051470098.db2.gz CSEABQHUDUKWOY-HZPDHXFCSA-N 1 0 310.482 4.109 20 30 DIEDRO N#Cc1ccccc1-c1ccc(CN2CCC[C@H]2C(F)F)cc1 ZINC001168934442 1051470664 /nfs/dbraw/zinc/47/06/64/1051470664.db2.gz XNGSCAFXXUJJHT-SFHVURJKSA-N 1 0 312.363 4.455 20 30 DIEDRO CC1(C)CC([N@H+](CCC#N)Cc2ccccc2)CC(C)(C)O1 ZINC001172655388 1051471856 /nfs/dbraw/zinc/47/18/56/1051471856.db2.gz VYQJRAHOYNTADU-UHFFFAOYSA-N 1 0 300.446 4.138 20 30 DIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC001168981103 1051477403 /nfs/dbraw/zinc/47/74/03/1051477403.db2.gz MQWMDYQSNPGIBG-HNNXBMFYSA-N 1 0 320.392 4.343 20 30 DIEDRO CCCCCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172676289 1051478025 /nfs/dbraw/zinc/47/80/25/1051478025.db2.gz KZMLXXAOQPJART-LJQANCHMSA-N 1 0 316.489 4.080 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001172761501 1051498051 /nfs/dbraw/zinc/49/80/51/1051498051.db2.gz RQQBNQJVDPNKBF-HOTGVXAUSA-N 1 0 319.445 4.022 20 30 DIEDRO CC(C)C[C@H](Cc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001169059053 1051501111 /nfs/dbraw/zinc/50/11/11/1051501111.db2.gz MOFUPPRWYGKJQZ-OAQYLSRUSA-N 1 0 306.453 4.348 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2ccncc2)cc1 ZINC000766605162 1051527181 /nfs/dbraw/zinc/52/71/81/1051527181.db2.gz RNTFDRJILVFGMM-OAHLLOKOSA-N 1 0 316.832 4.106 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1(C#N)CCCC1 ZINC001172868970 1051527398 /nfs/dbraw/zinc/52/73/98/1051527398.db2.gz ANWRPBQRZBAKII-ZDUSSCGKSA-N 1 0 308.878 4.494 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(C#N)cc1 ZINC001172840437 1051529094 /nfs/dbraw/zinc/52/90/94/1051529094.db2.gz YIGZLRHADFVPMG-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO CC1(C)C[C@H](Nc2cccc3[nH]cc(CC#N)c32)C[C@](C)(C[NH3+])C1 ZINC001169151266 1051536774 /nfs/dbraw/zinc/53/67/74/1051536774.db2.gz HWYWZVCBSQKOQP-YWZLYKJASA-N 1 0 324.472 4.190 20 30 DIEDRO CC1(C)C[C@@H](Nc2ccc3c(ccnc3C#N)c2)C[C@@](C)(C[NH3+])C1 ZINC001169153988 1051537957 /nfs/dbraw/zinc/53/79/57/1051537957.db2.gz VJKSLIOORXDUBT-OXQOHEQNSA-N 1 0 322.456 4.062 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cccc(C#N)c1 ZINC001172854118 1051538757 /nfs/dbraw/zinc/53/87/57/1051538757.db2.gz HVOKWFLEIZHUEA-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC#Cc1ccccc1 ZINC001172860772 1051548017 /nfs/dbraw/zinc/54/80/17/1051548017.db2.gz OOCYLYYOSJIHCL-CQSZACIVSA-N 1 0 301.792 4.051 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3cc(C#N)ccc3F)cc2)CC1 ZINC001212690671 1051550979 /nfs/dbraw/zinc/55/09/79/1051550979.db2.gz RDOKUZUDBVQIAB-UHFFFAOYSA-N 1 0 309.388 4.250 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000177909226 1051555046 /nfs/dbraw/zinc/55/50/46/1051555046.db2.gz KHYBONCBIUSOJK-LBPRGKRZSA-N 1 0 313.272 4.294 20 30 DIEDRO C#CC(C)(C)[N@H+](C)CCOc1ccc(Oc2ccccc2)cc1 ZINC001169232393 1051557621 /nfs/dbraw/zinc/55/76/21/1051557621.db2.gz DUSGSJUBANYTFF-UHFFFAOYSA-N 1 0 309.409 4.201 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001172881228 1051562836 /nfs/dbraw/zinc/56/28/36/1051562836.db2.gz FPQKNPWSOHNWQZ-UONOGXRCSA-N 1 0 308.878 4.446 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3cccc(F)c3C#N)cc2)CC1 ZINC001212690039 1051568805 /nfs/dbraw/zinc/56/88/05/1051568805.db2.gz TVHSAQGLLRGTAD-UHFFFAOYSA-N 1 0 309.388 4.250 20 30 DIEDRO COc1cccc(C#N)c1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212690339 1051568977 /nfs/dbraw/zinc/56/89/77/1051568977.db2.gz GTSBYQHZUCSEFF-UHFFFAOYSA-N 1 0 321.424 4.120 20 30 DIEDRO CC[N@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1C ZINC001169285903 1051573127 /nfs/dbraw/zinc/57/31/27/1051573127.db2.gz ZQLIXJTWNFEADT-QFBILLFUSA-N 1 0 300.446 4.228 20 30 DIEDRO COc1ccccc1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000178508717 1051577048 /nfs/dbraw/zinc/57/70/48/1051577048.db2.gz CPXTZLRRPIXKSW-UHFFFAOYSA-N 1 0 308.425 4.128 20 30 DIEDRO CNc1ccc(C#N)cc1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212691450 1051578481 /nfs/dbraw/zinc/57/84/81/1051578481.db2.gz RLRNSWFPAVATGO-UHFFFAOYSA-N 1 0 320.440 4.153 20 30 DIEDRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCCCC#N ZINC000178644765 1051578719 /nfs/dbraw/zinc/57/87/19/1051578719.db2.gz PHFNMZAGSMRQQU-INIZCTEOSA-N 1 0 323.278 4.444 20 30 DIEDRO C=CCC[NH2+][C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170471097 1051590118 /nfs/dbraw/zinc/59/01/18/1051590118.db2.gz QTECHRPACRJWOU-PHZGNYQRSA-N 1 0 310.482 4.109 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001169365221 1051590157 /nfs/dbraw/zinc/59/01/57/1051590157.db2.gz HHFZGAWJNJOYRJ-NHCUHLMSSA-N 1 0 304.437 4.102 20 30 DIEDRO Cc1[nH+]c2ccc(F)cn2c1Nc1cccc(Cl)c1C#N ZINC001216126819 1051590268 /nfs/dbraw/zinc/59/02/68/1051590268.db2.gz BSFXDNUJNREDMR-UHFFFAOYSA-N 1 0 300.724 4.051 20 30 DIEDRO C[C@H]1C[C@@H](Nc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c2ccccc21 ZINC001169372713 1051592844 /nfs/dbraw/zinc/59/28/44/1051592844.db2.gz AGZWVJJYFXEVRN-WGKKESJJSA-N 1 0 318.424 4.440 20 30 DIEDRO C=CCCC[NH2+]C1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170472118 1051595465 /nfs/dbraw/zinc/59/54/65/1051595465.db2.gz XKIIJMCPYZTICW-IAGOWNOFSA-N 1 0 324.509 4.499 20 30 DIEDRO C[C@](C#N)(Nc1ccc2c(N)cc[nH+]c2c1)c1ccccc1Cl ZINC001169388164 1051604293 /nfs/dbraw/zinc/60/42/93/1051604293.db2.gz GIDMXZFZEITAEL-GOSISDBHSA-N 1 0 322.799 4.321 20 30 DIEDRO Cc1c(C#N)cccc1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001216176463 1051611673 /nfs/dbraw/zinc/61/16/73/1051611673.db2.gz RJBCIBPXSUDYEK-UHFFFAOYSA-N 1 0 305.425 4.420 20 30 DIEDRO O=C1C=C2C[N@H+](C3CCC4(CCCCC4)CC3)CCC2S1 ZINC001173116330 1051613356 /nfs/dbraw/zinc/61/33/56/1051613356.db2.gz MANGALGQFSUDKP-MRXNPFEDSA-N 1 0 305.487 4.154 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC001169451338 1051616387 /nfs/dbraw/zinc/61/63/87/1051616387.db2.gz HPKDYWBOYYBVIM-ZWKOTPCHSA-N 1 0 309.494 4.197 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC001169451337 1051617116 /nfs/dbraw/zinc/61/71/16/1051617116.db2.gz HPKDYWBOYYBVIM-ROUUACIJSA-N 1 0 309.494 4.197 20 30 DIEDRO N#CCC[N@H+]([C@H]1CCc2ncsc2C1)C1CCCCCCC1 ZINC001173140179 1051620900 /nfs/dbraw/zinc/62/09/00/1051620900.db2.gz XEPWUOYGUZZMRN-INIZCTEOSA-N 1 0 317.502 4.329 20 30 DIEDRO Cc1ccc(C(=[NH2+])NC2CCC(Oc3ccccc3)CC2)cc1C ZINC001173201871 1051631310 /nfs/dbraw/zinc/63/13/10/1051631310.db2.gz JBHAGIAYPHPOFO-UHFFFAOYSA-N 1 0 322.452 4.399 20 30 DIEDRO C#CCCC[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000766728509 1051632299 /nfs/dbraw/zinc/63/22/99/1051632299.db2.gz LQIGSFHJHYDVGD-LJQANCHMSA-N 1 0 313.828 4.441 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(Oc2ccccc2)CC1 ZINC001173203280 1051632594 /nfs/dbraw/zinc/63/25/94/1051632594.db2.gz NEUKBJYNFFVQSD-WJVRVCSVSA-N 1 0 310.441 4.143 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC001173217779 1051635203 /nfs/dbraw/zinc/63/52/03/1051635203.db2.gz GAHFNRKKJSBHHM-AUUYWEPGSA-N 1 0 323.396 4.138 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(Cl)c(C#N)c2Cl)c1F ZINC001216226860 1051635906 /nfs/dbraw/zinc/63/59/06/1051635906.db2.gz DSXFZTUERVAHCW-UHFFFAOYSA-N 1 0 324.186 4.467 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(Cl)c(Cl)c2C#N)c1F ZINC001216226485 1051635972 /nfs/dbraw/zinc/63/59/72/1051635972.db2.gz PJTVHWMYSIENAW-UHFFFAOYSA-N 1 0 324.186 4.467 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(Cl)c(F)c2C#N)c1F ZINC001216232105 1051638947 /nfs/dbraw/zinc/63/89/47/1051638947.db2.gz NXJNJLIKDWSCTN-UHFFFAOYSA-N 1 0 321.758 4.295 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(C#N)c(Cl)c2)c1F ZINC001216230938 1051640080 /nfs/dbraw/zinc/64/00/80/1051640080.db2.gz JMMXSQHWDXCYIL-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(C#N)c3ncccc23)c1F ZINC001216231903 1051640153 /nfs/dbraw/zinc/64/01/53/1051640153.db2.gz IZHIEGXUYLXZKG-UHFFFAOYSA-N 1 0 320.371 4.051 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2cccc(Cl)c2C#N)c1F ZINC001216231115 1051640168 /nfs/dbraw/zinc/64/01/68/1051640168.db2.gz AOAKJQJJOYZQMB-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2cc(Cl)ccc2C#N)c1F ZINC001216232236 1051640391 /nfs/dbraw/zinc/64/03/91/1051640391.db2.gz ZTWIWIRPMWLLIZ-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1(CC)CC ZINC001169570919 1051646944 /nfs/dbraw/zinc/64/69/44/1051646944.db2.gz ZPPXMFIOPIJVLC-MSOLQXFVSA-N 1 0 319.876 4.265 20 30 DIEDRO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]CC1(C#N)CC1 ZINC001173212327 1051649069 /nfs/dbraw/zinc/64/90/69/1051649069.db2.gz WPEJQHJXLKZZDI-KRWDZBQOSA-N 1 0 304.437 4.490 20 30 DIEDRO CCc1ccc(C[C@@H](C)NC(=[NH2+])c2ccc3ccccc3n2)cc1 ZINC001173240891 1051673700 /nfs/dbraw/zinc/67/37/00/1051673700.db2.gz KGFKKBLUYGBYIK-OAHLLOKOSA-N 1 0 317.436 4.134 20 30 DIEDRO CCCCCCCC[C@H](CCC)NC1(C#N)CC[NH+](C)CC1 ZINC001173309299 1051681894 /nfs/dbraw/zinc/68/18/94/1051681894.db2.gz GYESCZQEPDZBBU-SFHVURJKSA-N 1 0 307.526 4.483 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC001173308928 1051682108 /nfs/dbraw/zinc/68/21/08/1051682108.db2.gz PNQXQPVRBKJHCC-UHFFFAOYSA-N 1 0 313.363 4.309 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+]Cc1cncc(C(N)=O)c1 ZINC001173310051 1051682287 /nfs/dbraw/zinc/68/22/87/1051682287.db2.gz OHULQHDGFRFZSP-SFHVURJKSA-N 1 0 319.493 4.189 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC001173311922 1051684241 /nfs/dbraw/zinc/68/42/41/1051684241.db2.gz RABMKFIAAKXECZ-UHFFFAOYSA-N 1 0 303.446 4.077 20 30 DIEDRO C=CCOC1CCC([NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC001173311213 1051684460 /nfs/dbraw/zinc/68/44/60/1051684460.db2.gz IKLYZZLNNTUHTO-UHFFFAOYSA-N 1 0 307.865 4.376 20 30 DIEDRO N#CC12CCC(Nc3cc(N4CCCCC4)cc[nH+]3)(CC1)CC2 ZINC001169746456 1051686612 /nfs/dbraw/zinc/68/66/12/1051686612.db2.gz HAHMELMQGBHCIO-UHFFFAOYSA-N 1 0 310.445 4.100 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173285584 1051688015 /nfs/dbraw/zinc/68/80/15/1051688015.db2.gz XOAWTMJEMQKWOD-ZWKOTPCHSA-N 1 0 323.525 4.397 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]CC1(O)CCOCC1 ZINC001173284724 1051689010 /nfs/dbraw/zinc/68/90/10/1051689010.db2.gz IGTNJEOELDCJLT-GOSISDBHSA-N 1 0 313.526 4.427 20 30 DIEDRO C=CCOC1CCC([N@@H+](CC(=O)c2ccccc2)C(C)C)CC1 ZINC001173323091 1051693194 /nfs/dbraw/zinc/69/31/94/1051693194.db2.gz CGUVOEJGTLKGRL-UHFFFAOYSA-N 1 0 315.457 4.094 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC001173328917 1051694606 /nfs/dbraw/zinc/69/46/06/1051694606.db2.gz STXVHNWODNHJKD-UHFFFAOYSA-N 1 0 311.473 4.239 20 30 DIEDRO N#CCC1CCC([N@@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001173330487 1051694691 /nfs/dbraw/zinc/69/46/91/1051694691.db2.gz ASCCCEHOQDASAB-UHFFFAOYSA-N 1 0 319.246 4.237 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001173327047 1051694942 /nfs/dbraw/zinc/69/49/42/1051694942.db2.gz CHEZQCZCAQVFRR-ACBHZAAOSA-N 1 0 303.421 4.476 20 30 DIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CCC(CC#N)CC1 ZINC001173329809 1051695099 /nfs/dbraw/zinc/69/50/99/1051695099.db2.gz NPIPVAWQMCIHGZ-AOCRQIFASA-N 1 0 300.446 4.133 20 30 DIEDRO N#CCC1CCC(Nc2ccc(C[NH3+])cc2C(F)(F)F)CC1 ZINC001173328714 1051695151 /nfs/dbraw/zinc/69/51/51/1051695151.db2.gz KYFRBPLGFNIZSW-UHFFFAOYSA-N 1 0 311.351 4.048 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001173327258 1051695715 /nfs/dbraw/zinc/69/57/15/1051695715.db2.gz KVWPRZLBWXBZQF-RJYAGPCLSA-N 1 0 303.421 4.476 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001173334849 1051696430 /nfs/dbraw/zinc/69/64/30/1051696430.db2.gz YXVGHXQVQMVRCG-UHFFFAOYSA-N 1 0 313.376 4.043 20 30 DIEDRO COCCC1([NH2+]C2CCC(CC#N)CC2)CCC(F)(F)CC1 ZINC001173333389 1051696494 /nfs/dbraw/zinc/69/64/94/1051696494.db2.gz KVCOURGMDOHZGB-UHFFFAOYSA-N 1 0 314.420 4.033 20 30 DIEDRO N#CCC1CCC([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001173333591 1051696628 /nfs/dbraw/zinc/69/66/28/1051696628.db2.gz OAXXQECOBYFDDE-PXCJXSSVSA-N 1 0 303.837 4.248 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001173333033 1051696764 /nfs/dbraw/zinc/69/67/64/1051696764.db2.gz WZLDLKWRCCGZEV-UHFFFAOYSA-N 1 0 323.440 4.480 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001173332599 1051696932 /nfs/dbraw/zinc/69/69/32/1051696932.db2.gz PGZXVEQNAKPKER-UHFFFAOYSA-N 1 0 310.441 4.054 20 30 DIEDRO N#CCC1CCC([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001173333637 1051697582 /nfs/dbraw/zinc/69/75/82/1051697582.db2.gz OCBFKMAPKOVQMH-UHFFFAOYSA-N 1 0 300.421 4.210 20 30 DIEDRO Cc1ccc2c(c1)c1c(n2C2CCC(CC#N)CC2)CC[NH2+]C1 ZINC001173340166 1051698967 /nfs/dbraw/zinc/69/89/67/1051698967.db2.gz ZBGKTGAUBUELJC-UHFFFAOYSA-N 1 0 307.441 4.240 20 30 DIEDRO C=C[C@@H](OC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000805963096 1051708471 /nfs/dbraw/zinc/70/84/71/1051708471.db2.gz QDQQLNMNKQQQHE-GOSISDBHSA-N 1 0 315.457 4.043 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(Cc3ccccc3F)CC2)CC1 ZINC001173317215 1051710195 /nfs/dbraw/zinc/71/01/95/1051710195.db2.gz CZLMLCDPHRYDOO-UHFFFAOYSA-N 1 0 303.421 4.004 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2nccn2Cc2ccccc2)CCCC1(C)C ZINC001169843697 1051710824 /nfs/dbraw/zinc/71/08/24/1051710824.db2.gz HYIXEFSJBFKYHI-LJQANCHMSA-N 1 0 323.484 4.498 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2ncccc2Cl)C2CC2)CC1 ZINC001173318124 1051710892 /nfs/dbraw/zinc/71/08/92/1051710892.db2.gz VQSHCJXQHQDSFR-DQPZFDDXSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001173316675 1051711006 /nfs/dbraw/zinc/71/10/06/1051711006.db2.gz BCHNZGQNJHVIRC-XBMUEBEBSA-N 1 0 319.876 4.301 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001173318585 1051711689 /nfs/dbraw/zinc/71/16/89/1051711689.db2.gz DHQGVDRMEIOFQI-UHFFFAOYSA-N 1 0 317.448 4.394 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](CC)c2cccc(OC)c2)CC1 ZINC001173317655 1051711768 /nfs/dbraw/zinc/71/17/68/1051711768.db2.gz HMEVWADXFQJVDM-FAFZWHIHSA-N 1 0 303.446 4.250 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2cccc3nsnc32)CCCC1(C)C ZINC001169843425 1051712286 /nfs/dbraw/zinc/71/22/86/1051712286.db2.gz CJKNQBDYOVHZRB-OAHLLOKOSA-N 1 0 301.459 4.258 20 30 DIEDRO COC(=O)CCCC[C@@H](C)[N@H+](CCC#N)C1CCCCCCC1 ZINC001173455725 1051729685 /nfs/dbraw/zinc/72/96/85/1051729685.db2.gz UGCIDEUQHOUNPB-QGZVFWFLSA-N 1 0 322.493 4.437 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cccc2c1CCOC2 ZINC001169952994 1051736793 /nfs/dbraw/zinc/73/67/93/1051736793.db2.gz NYUQHXKAUPRRIR-UHFFFAOYSA-N 1 0 307.437 4.338 20 30 DIEDRO C#CCCC[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000766923431 1051740899 /nfs/dbraw/zinc/74/08/99/1051740899.db2.gz YQJCVUOJUXWBKS-KRWDZBQOSA-N 1 0 309.457 4.210 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000806168252 1051745115 /nfs/dbraw/zinc/74/51/15/1051745115.db2.gz ZCWMPUYRUVYCTG-IBGZPJMESA-N 1 0 313.420 4.431 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806174797 1051745860 /nfs/dbraw/zinc/74/58/60/1051745860.db2.gz NSSYNVSZYITMSH-LSDHHAIUSA-N 1 0 301.352 4.073 20 30 DIEDRO C=C[C@@H]([NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1)c1ccccc1 ZINC001173614101 1051753227 /nfs/dbraw/zinc/75/32/27/1051753227.db2.gz ONDXJUVQQSRLIJ-AGYKMIKPSA-N 1 0 313.441 4.015 20 30 DIEDRO CC1(C#N)CCC([NH2+]C2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001173591900 1051754895 /nfs/dbraw/zinc/75/48/95/1051754895.db2.gz WVGVUOBSWLRATI-UHFFFAOYSA-N 1 0 300.421 4.353 20 30 DIEDRO COc1ccccc1CC1([NH2+]C2CCC(C)(C#N)CC2)CCC1 ZINC001173591824 1051755723 /nfs/dbraw/zinc/75/57/23/1051755723.db2.gz SQFOOCURABJHJT-UHFFFAOYSA-N 1 0 312.457 4.222 20 30 DIEDRO COc1ccc2cccc(CC[NH2+]C3CCC(C)(C#N)CC3)c2c1 ZINC001173591117 1051756319 /nfs/dbraw/zinc/75/63/19/1051756319.db2.gz SRRQCMJJKMCPKU-UHFFFAOYSA-N 1 0 322.452 4.453 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596434 1051756771 /nfs/dbraw/zinc/75/67/71/1051756771.db2.gz WWQBAIPJLDQEDE-QPIRBTGLSA-N 1 0 312.457 4.311 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173594136 1051756881 /nfs/dbraw/zinc/75/68/81/1051756881.db2.gz SPPHOBYYVJEDGZ-UHFFFAOYSA-N 1 0 308.469 4.439 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(Sc3ccncc3)CC2)CC1 ZINC001173599892 1051757089 /nfs/dbraw/zinc/75/70/89/1051757089.db2.gz RXLUHEDPRGRPAO-UHFFFAOYSA-N 1 0 315.486 4.111 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001173596628 1051757128 /nfs/dbraw/zinc/75/71/28/1051757128.db2.gz AKALXNYHEIQHAX-UHFFFAOYSA-N 1 0 307.441 4.210 20 30 DIEDRO CC[N@H+](CCc1ccc(OC)cc1)C1CCC(C)(C#N)CC1 ZINC001173601170 1051757211 /nfs/dbraw/zinc/75/72/11/1051757211.db2.gz PRSQKXVKVVXNFG-UHFFFAOYSA-N 1 0 300.446 4.032 20 30 DIEDRO COC1(c2ccccc2)CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173598930 1051757326 /nfs/dbraw/zinc/75/73/26/1051757326.db2.gz WCCYUXYXENRXKJ-UHFFFAOYSA-N 1 0 312.457 4.097 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(n3ncc4ccccc43)CC2)CC1 ZINC001173599804 1051757891 /nfs/dbraw/zinc/75/78/91/1051757891.db2.gz RCDNILSRBRLGAG-UHFFFAOYSA-N 1 0 322.456 4.146 20 30 DIEDRO Cc1ccc(O[C@@H]2CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)cc1 ZINC001173596109 1051758006 /nfs/dbraw/zinc/75/80/06/1051758006.db2.gz JYQXRUFHJCIHTG-SKINQDTJSA-N 1 0 312.457 4.311 20 30 DIEDRO CC(=O)C1(c2ccccc2)CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600068 1051758173 /nfs/dbraw/zinc/75/81/73/1051758173.db2.gz VTEJDZHBXIFJLS-UHFFFAOYSA-N 1 0 324.468 4.082 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001173596783 1051758374 /nfs/dbraw/zinc/75/83/74/1051758374.db2.gz CKJNDUNRDRLTCZ-LXPRWKDFSA-N 1 0 300.471 4.249 20 30 DIEDRO CC1(C#N)CCC([NH+]2CC3(CC(OCc4ccccc4)C3)C2)CC1 ZINC001173598196 1051758641 /nfs/dbraw/zinc/75/86/41/1051758641.db2.gz NWOOLIQSFPMQHU-UHFFFAOYSA-N 1 0 324.468 4.140 20 30 DIEDRO CC#CCCCC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000185452905 1051766593 /nfs/dbraw/zinc/76/65/93/1051766593.db2.gz CPXHOAUGVKVZCC-UHFFFAOYSA-N 1 0 312.457 4.180 20 30 DIEDRO C=CCCCCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000806167861 1051767807 /nfs/dbraw/zinc/76/78/07/1051767807.db2.gz NDFGITVXWGTHQL-JKSUJKDBSA-N 1 0 320.437 4.001 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000806167676 1051768176 /nfs/dbraw/zinc/76/81/76/1051768176.db2.gz DQWGUJHREAKOJC-QGZVFWFLSA-N 1 0 301.409 4.364 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000806167590 1051769133 /nfs/dbraw/zinc/76/91/33/1051769133.db2.gz AVVOENGXOCDTSQ-AZUAARDMSA-N 1 0 315.505 4.018 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000806168748 1051769400 /nfs/dbraw/zinc/76/94/00/1051769400.db2.gz YZKZEMUNHYRSQR-OAHLLOKOSA-N 1 0 300.446 4.358 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+][C@H]3CCC[C@H](C#N)C3)c(C)c2c1 ZINC000185818417 1051785759 /nfs/dbraw/zinc/78/57/59/1051785759.db2.gz MRRYDJDYHSRDCG-KKUMJFAQSA-N 1 0 312.413 4.483 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185890683 1051788718 /nfs/dbraw/zinc/78/87/18/1051788718.db2.gz KUARDPTZBDFWJK-PXNSSMCTSA-N 1 0 315.420 4.397 20 30 DIEDRO CC(C)(C)CN(CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186339615 1051809981 /nfs/dbraw/zinc/80/99/81/1051809981.db2.gz AVSNDNOLMBXXQI-UHFFFAOYSA-N 1 0 316.445 4.093 20 30 DIEDRO C=C(C)[C@H](NC1CC[NH+](C(C)C)CC1)c1ccc(F)c(F)c1 ZINC000186452448 1051817584 /nfs/dbraw/zinc/81/75/84/1051817584.db2.gz JMQROMZROQWBFX-SFHVURJKSA-N 1 0 308.416 4.044 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccc(F)c(F)c1 ZINC000186448826 1051818967 /nfs/dbraw/zinc/81/89/67/1051818967.db2.gz AIYPKSGYHHRKQV-DJJJIMSYSA-N 1 0 317.379 4.425 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000767683460 1051835749 /nfs/dbraw/zinc/83/57/49/1051835749.db2.gz XBJUNCASXCDKOE-UHFFFAOYSA-N 1 0 307.441 4.003 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)ccc1C#N ZINC000767687044 1051837902 /nfs/dbraw/zinc/83/79/02/1051837902.db2.gz CHWLYBUUDGJSTR-NRFANRHFSA-N 1 0 320.436 4.124 20 30 DIEDRO Cc1ccc(OC2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000489803901 1051866285 /nfs/dbraw/zinc/86/62/85/1051866285.db2.gz ALQDLKCDUDDYJS-QGZVFWFLSA-N 1 0 320.436 4.471 20 30 DIEDRO C[N@H+](CCCCC#N)Cc1cc(Br)ccc1Cl ZINC000494268177 1051868680 /nfs/dbraw/zinc/86/86/80/1051868680.db2.gz MPVNTZYGEJENBO-UHFFFAOYSA-N 1 0 315.642 4.228 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000767989493 1051870774 /nfs/dbraw/zinc/87/07/74/1051870774.db2.gz MLMQMNYAXQIHJV-PKOBYXMFSA-N 1 0 315.457 4.044 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(F)c(OC)c1)c1ccncc1 ZINC000768103515 1051882107 /nfs/dbraw/zinc/88/21/07/1051882107.db2.gz GBECUHCDGBEWHR-DYVFJYSZSA-N 1 0 300.377 4.197 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(OC)c1)c1ccncc1 ZINC000768103517 1051883250 /nfs/dbraw/zinc/88/32/50/1051883250.db2.gz GBECUHCDGBEWHR-SUMWQHHRSA-N 1 0 300.377 4.197 20 30 DIEDRO Cc1ccccc1NC(=[NH2+])NC[C@H](c1ccccc1)C(F)(F)F ZINC000185954777 1051887609 /nfs/dbraw/zinc/88/76/09/1051887609.db2.gz UUBWZNQVNXIVCN-CQSZACIVSA-N 1 0 321.346 4.068 20 30 DIEDRO CC(C)C[N@H+](CCC#N)Cc1cc(-c2ccccc2)ccc1O ZINC000768153688 1051889190 /nfs/dbraw/zinc/88/91/90/1051889190.db2.gz IOFOAOKIMJMGNV-UHFFFAOYSA-N 1 0 308.425 4.431 20 30 DIEDRO Cc1ccccc1C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000768252834 1051910755 /nfs/dbraw/zinc/91/07/55/1051910755.db2.gz SJOKXHSNFLHVDJ-QGZVFWFLSA-N 1 0 320.436 4.451 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000768264023 1051912691 /nfs/dbraw/zinc/91/26/91/1051912691.db2.gz YVJARTBPPYFOEQ-OAHLLOKOSA-N 1 0 316.408 4.141 20 30 DIEDRO C=CCCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000807591104 1051914238 /nfs/dbraw/zinc/91/42/38/1051914238.db2.gz AHKIERCHLQSBRE-QZTJIDSGSA-N 1 0 323.525 4.027 20 30 DIEDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000768334293 1051918693 /nfs/dbraw/zinc/91/86/93/1051918693.db2.gz DQHAGFGEICTXII-UHFFFAOYSA-N 1 0 321.468 4.367 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CCCC1 ZINC000768651854 1051950655 /nfs/dbraw/zinc/95/06/55/1051950655.db2.gz PXWJJKLNWVSKAO-MRXNPFEDSA-N 1 0 300.446 4.378 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCC1 ZINC000768651853 1051951400 /nfs/dbraw/zinc/95/14/00/1051951400.db2.gz PXWJJKLNWVSKAO-INIZCTEOSA-N 1 0 300.446 4.378 20 30 DIEDRO C=CCCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC001170538963 1051958186 /nfs/dbraw/zinc/95/81/86/1051958186.db2.gz RHAGZKFNORSXPZ-CZUORRHYSA-N 1 0 313.363 4.433 20 30 DIEDRO C=CCCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC001170538961 1051959242 /nfs/dbraw/zinc/95/92/42/1051959242.db2.gz RHAGZKFNORSXPZ-CJNGLKHVSA-N 1 0 313.363 4.433 20 30 DIEDRO CC[N@H+](CCc1cccs1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768756831 1051963379 /nfs/dbraw/zinc/96/33/79/1051963379.db2.gz CMJIGHFQLPJKDD-OAHLLOKOSA-N 1 0 314.454 4.104 20 30 DIEDRO CC[N@H+](CCc1cccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768756827 1051964449 /nfs/dbraw/zinc/96/44/49/1051964449.db2.gz CMJIGHFQLPJKDD-HNNXBMFYSA-N 1 0 314.454 4.104 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1 ZINC000768852577 1051969288 /nfs/dbraw/zinc/96/92/88/1051969288.db2.gz VIALLOPNKNXYOI-LNKGRISISA-N 1 0 312.457 4.378 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1O ZINC000769108415 1051998818 /nfs/dbraw/zinc/99/88/18/1051998818.db2.gz ZHWOUXKKDHATKZ-UHFFFAOYSA-N 1 0 312.800 4.105 20 30 DIEDRO C#CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CCCCC1 ZINC000769146452 1052000457 /nfs/dbraw/zinc/00/04/57/1052000457.db2.gz ZTOWMFCHJKCTGE-UHFFFAOYSA-N 1 0 301.478 4.023 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)cc1 ZINC000769101999 1052002141 /nfs/dbraw/zinc/00/21/41/1052002141.db2.gz KNYJIOMCEFWOFD-MRXNPFEDSA-N 1 0 309.409 4.407 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C12CCCCC2 ZINC001170005306 1052025845 /nfs/dbraw/zinc/02/58/45/1052025845.db2.gz VNSWHBYROBVXTN-KFKAGJAMSA-N 1 0 312.457 4.337 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769427502 1052047884 /nfs/dbraw/zinc/04/78/84/1052047884.db2.gz MEXRGDIKYDBWPG-IERDGZPVSA-N 1 0 320.436 4.487 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808691609 1052060838 /nfs/dbraw/zinc/06/08/38/1052060838.db2.gz JKOYZKKHJUUZDE-CQSZACIVSA-N 1 0 322.880 4.045 20 30 DIEDRO C=C(C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccccc1 ZINC000769496468 1052068160 /nfs/dbraw/zinc/06/81/60/1052068160.db2.gz YDGPCNBZKLQRQF-UHFFFAOYSA-N 1 0 309.409 4.135 20 30 DIEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769506263 1052068972 /nfs/dbraw/zinc/06/89/72/1052068972.db2.gz GHCWSMMMHUETDB-GPMSIDNRSA-N 1 0 300.446 4.378 20 30 DIEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769506261 1052070306 /nfs/dbraw/zinc/07/03/06/1052070306.db2.gz GHCWSMMMHUETDB-FRQCXROJSA-N 1 0 300.446 4.378 20 30 DIEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769538856 1052076715 /nfs/dbraw/zinc/07/67/15/1052076715.db2.gz YKWXIYGQNJYFKX-FRQCXROJSA-N 1 0 300.446 4.378 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000769748101 1052105946 /nfs/dbraw/zinc/10/59/46/1052105946.db2.gz WOISYBUOFMLNPX-RBUKOAKNSA-N 1 0 314.473 4.295 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(C)n1-c1cccc(C)c1 ZINC000769946502 1052128579 /nfs/dbraw/zinc/12/85/79/1052128579.db2.gz YRJOEIUZFDKZFS-IEBWSBKVSA-N 1 0 307.441 4.184 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3c(C)ccc(C)c32)cc1C#N ZINC000769975036 1052134188 /nfs/dbraw/zinc/13/41/88/1052134188.db2.gz YWPUMCSFVDYAIK-LJQANCHMSA-N 1 0 320.436 4.351 20 30 DIEDRO C[Si](C)(C)C#C[C@H](OCCCCCC[NH3+])c1ccccc1 ZINC001217835069 1052151138 /nfs/dbraw/zinc/15/11/38/1052151138.db2.gz WNWHRLZLDDWBIQ-SFHVURJKSA-N 1 0 303.522 4.144 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1O[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001217831637 1052151865 /nfs/dbraw/zinc/15/18/65/1052151865.db2.gz IOKNFJNPUOLGJN-RTBURBONSA-N 1 0 313.828 4.364 20 30 DIEDRO N#Cc1cccc([C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000761757765 1052152531 /nfs/dbraw/zinc/15/25/31/1052152531.db2.gz BVTCUYCMFBZRRB-RTWAWAEBSA-N 1 0 318.420 4.009 20 30 DIEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761759434 1052153735 /nfs/dbraw/zinc/15/37/35/1052153735.db2.gz OQBOLHBXZBHPPF-JXFKEZNVSA-N 1 0 306.409 4.001 20 30 DIEDRO N#C[C@@H](OCC1CC[NH2+]CC1)c1cccc(Oc2ccccc2)c1 ZINC001217869767 1052158276 /nfs/dbraw/zinc/15/82/76/1052158276.db2.gz ALPFNDVKZSQRJE-HXUWFJFHSA-N 1 0 322.408 4.060 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)OCCC[C@H]1CCC[NH2+]C1 ZINC001217889568 1052164812 /nfs/dbraw/zinc/16/48/12/1052164812.db2.gz PBPSIKCNFAMTGD-IAGOWNOFSA-N 1 0 303.446 4.109 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1O[C@H](C)c1ccc(Br)cc1 ZINC001217927247 1052171962 /nfs/dbraw/zinc/17/19/62/1052171962.db2.gz PSLTZDKKQBJMKG-DAXOMENPSA-N 1 0 324.262 4.223 20 30 DIEDRO C=CCCCCCC[C@@H](C)OC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217894746 1052166374 /nfs/dbraw/zinc/16/63/74/1052166374.db2.gz JWSJFBPIZBLOAV-MSOLQXFVSA-N 1 0 309.494 4.077 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](OCCCCC2CC[NH2+]CC2)C(C)(C)O1 ZINC001217897344 1052167087 /nfs/dbraw/zinc/16/70/87/1052167087.db2.gz XAOJGWZMTUINEU-HKUYNNGSSA-N 1 0 309.494 4.075 20 30 DIEDRO CCCCCCC[C@@H](CCC)OC[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001217897941 1052168105 /nfs/dbraw/zinc/16/81/05/1052168105.db2.gz SXKCANIIWUYFRE-MANSERQUSA-N 1 0 311.510 4.299 20 30 DIEDRO O=C(/C=C\c1ccccc1)c1ccc(O[C@H]2CCC[NH2+]CC2)cc1 ZINC001217994851 1052182441 /nfs/dbraw/zinc/18/24/41/1052182441.db2.gz CGJKKXJYWJQPFU-RNNBRSHQSA-N 1 0 321.420 4.104 20 30 DIEDRO O=C(/C=C/c1ccccc1)c1ccc(O[C@H]2CCC[NH2+]CC2)cc1 ZINC001217994849 1052182575 /nfs/dbraw/zinc/18/25/75/1052182575.db2.gz CGJKKXJYWJQPFU-CWRQFWGNSA-N 1 0 321.420 4.104 20 30 DIEDRO O=C(/C=C\c1ccc(O[C@H]2CCC[NH2+]CC2)cc1)c1ccccc1 ZINC001217996225 1052182712 /nfs/dbraw/zinc/18/27/12/1052182712.db2.gz XPIIADQVGPAWGV-XGCMIMOYSA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001218029630 1052188635 /nfs/dbraw/zinc/18/86/35/1052188635.db2.gz DMVUBICTJIFANZ-QJBAKISVSA-N 1 0 308.425 4.204 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@H]2CC[NH2+]C[C@@H]2F)cc1 ZINC001218066522 1052192039 /nfs/dbraw/zinc/19/20/39/1052192039.db2.gz LTFUDMVEXUTMGI-HKUYNNGSSA-N 1 0 321.436 4.309 20 30 DIEDRO N#Cc1ccc(-c2ccc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001218092206 1052195154 /nfs/dbraw/zinc/19/51/54/1052195154.db2.gz GYJSLMSXMAWMNS-RTWAWAEBSA-N 1 0 318.420 4.136 20 30 DIEDRO C(=N/c1ccc(O[C@H]2CCC[C@]23CC[NH2+]C3)cc1)\c1ccccc1 ZINC001218096775 1052196402 /nfs/dbraw/zinc/19/64/02/1052196402.db2.gz SOOZPEXHZDRNDD-ZWFPEHDYSA-N 1 0 320.436 4.348 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3CC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001218118452 1052199226 /nfs/dbraw/zinc/19/92/26/1052199226.db2.gz NSCBLBDJYVSBKW-FGIMNINOSA-N 1 0 324.399 4.097 20 30 DIEDRO N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc2ccc3cccc4ccc1c2c34 ZINC001218201910 1052207088 /nfs/dbraw/zinc/20/70/88/1052207088.db2.gz WDFAVCRWJZVHSW-APWZRJJASA-N 1 0 312.372 4.074 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](Oc1cccc(C[NH3+])c1)c1ccccc1 ZINC001218214889 1052208172 /nfs/dbraw/zinc/20/81/72/1052208172.db2.gz QHYRLNFAGVZWNY-LJQANCHMSA-N 1 0 309.485 4.146 20 30 DIEDRO N#Cc1cccc(-c2ccc(OC3CCC4(C[NH2+]C4)CC3)cc2)c1 ZINC001218263614 1052215330 /nfs/dbraw/zinc/21/53/30/1052215330.db2.gz ILKOJWWHXKYFIY-UHFFFAOYSA-N 1 0 318.420 4.136 20 30 DIEDRO F[C@H]1[C@H]2CC[C@@H](C[C@@H]1Oc1ccccc1C=Nc1ccccc1)[NH2+]2 ZINC001218275740 1052216355 /nfs/dbraw/zinc/21/63/55/1052216355.db2.gz UCKRYUJIQBSXJY-HNJRGHQBSA-N 1 0 324.399 4.047 20 30 DIEDRO N#Cc1ccc(-c2ccc(O[C@H]3CC[NH2+]C4(CCC4)C3)cc2)cc1 ZINC001218305910 1052221692 /nfs/dbraw/zinc/22/16/92/1052221692.db2.gz FUEFGWXJPHHZAR-FQEVSTJZSA-N 1 0 318.420 4.279 20 30 DIEDRO CC1(C)C[NH2+]CCc2ccc(O[C@@H](CC#N)c3ccccc3)cc21 ZINC001218317418 1052224733 /nfs/dbraw/zinc/22/47/33/1052224733.db2.gz MTFIAVUYJPPGOE-FQEVSTJZSA-N 1 0 320.436 4.144 20 30 DIEDRO C#CCCCCCc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000761815496 1052226889 /nfs/dbraw/zinc/22/68/89/1052226889.db2.gz OKZAVKHHLYTUCA-UHFFFAOYSA-N 1 0 323.440 4.069 20 30 DIEDRO C[C@@H](Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2)c1ccccc1C#N ZINC001218409859 1052236559 /nfs/dbraw/zinc/23/65/59/1052236559.db2.gz YSPMKUDVMAVRNJ-OAHLLOKOSA-N 1 0 320.436 4.122 20 30 DIEDRO CCC[C@H](C#Cc1ccccc1)Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218437782 1052238684 /nfs/dbraw/zinc/23/86/84/1052238684.db2.gz AVPKVDSNMNXPMN-HLAWJBBLSA-N 1 0 305.421 4.100 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc(C(F)(F)F)c1Cl ZINC001218452575 1052241317 /nfs/dbraw/zinc/24/13/17/1052241317.db2.gz YRZBLYVFNZDCEC-VXGBXAGGSA-N 1 0 319.754 4.434 20 30 DIEDRO C=CC1(CC(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CCCCC1 ZINC001626016597 1052248576 /nfs/dbraw/zinc/24/85/76/1052248576.db2.gz VPPOJZFZIKFHMW-SFHVURJKSA-N 1 0 320.521 4.284 20 30 DIEDRO CC(C)(C)c1cc(C#N)ccc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218489779 1052249067 /nfs/dbraw/zinc/24/90/67/1052249067.db2.gz QNOZWUMXXKZCGZ-IBGZPJMESA-N 1 0 306.409 4.079 20 30 DIEDRO N#Cc1ccc(Cl)c(Cl)c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218493101 1052249402 /nfs/dbraw/zinc/24/94/02/1052249402.db2.gz HRTJKSYVMBISIV-CQSZACIVSA-N 1 0 319.191 4.088 20 30 DIEDRO C=CCCCCCCCCC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218712424 1052254055 /nfs/dbraw/zinc/25/40/55/1052254055.db2.gz YFVZFALIPBFCQM-OAHLLOKOSA-N 1 0 319.449 4.344 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=O)C[C@@H]([NH3+])c2ccc(C#N)cc2)cc1 ZINC001218810366 1052256644 /nfs/dbraw/zinc/25/66/44/1052256644.db2.gz ZVQRTENHDNPUAN-AUUYWEPGSA-N 1 0 321.424 4.100 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2cccnc2)cc1 ZINC001218916168 1052262432 /nfs/dbraw/zinc/26/24/32/1052262432.db2.gz ZBPGCXICLSQACU-IBGZPJMESA-N 1 0 323.440 4.151 20 30 DIEDRO CSCCCCCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000230405900 1052267933 /nfs/dbraw/zinc/26/79/33/1052267933.db2.gz UUKKSJPFEULFMQ-HNNXBMFYSA-N 1 0 306.475 4.163 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)nc1 ZINC000761969526 1052279725 /nfs/dbraw/zinc/27/97/25/1052279725.db2.gz IEONODMDRMIGKY-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(Br)cc2C#N)C1 ZINC000311814053 1052284598 /nfs/dbraw/zinc/28/45/98/1052284598.db2.gz HALRFQWGZVNJNR-LRDDRELGSA-N 1 0 321.262 4.331 20 30 DIEDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(Br)cc2C#N)C1 ZINC000311814056 1052284989 /nfs/dbraw/zinc/28/49/89/1052284989.db2.gz HALRFQWGZVNJNR-WBMJQRKESA-N 1 0 321.262 4.331 20 30 DIEDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000487879993 1052285676 /nfs/dbraw/zinc/28/56/76/1052285676.db2.gz RJCLZQRCGFMHOH-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000231750826 1052288580 /nfs/dbraw/zinc/28/85/80/1052288580.db2.gz MQGYEAVANYTTNL-SSDOTTSWSA-N 1 0 303.221 4.275 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000231751231 1052288922 /nfs/dbraw/zinc/28/89/22/1052288922.db2.gz JDTMNUVNBJINBZ-ZETCQYMHSA-N 1 0 303.221 4.275 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000315386289 1052336806 /nfs/dbraw/zinc/33/68/06/1052336806.db2.gz KOLDVOQSRKJNMF-IXDOHACOSA-N 1 0 300.446 4.456 20 30 DIEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000315548639 1052343833 /nfs/dbraw/zinc/34/38/33/1052343833.db2.gz WXDQLUMBDKDYDV-ROUUACIJSA-N 1 0 300.446 4.283 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CCO1 ZINC000495437726 1052350632 /nfs/dbraw/zinc/35/06/32/1052350632.db2.gz CRMAXDZEVOGQJE-XVSDVWIESA-N 1 0 318.436 4.332 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2ccc(C#N)cc2)c(O)c1 ZINC000915113164 1052350924 /nfs/dbraw/zinc/35/09/24/1052350924.db2.gz PLRSQNARSQSJAT-QQHUYRGFSA-N 1 0 321.424 4.290 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000762631622 1052410228 /nfs/dbraw/zinc/41/02/28/1052410228.db2.gz DTOQULHYAKSZBZ-HXUWFJFHSA-N 1 0 306.409 4.316 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000762770364 1052422721 /nfs/dbraw/zinc/42/27/21/1052422721.db2.gz KZISNVCQTVVAKM-GHMZBOCLSA-N 1 0 315.230 4.379 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2OC(C)C)cc1 ZINC000236677897 1052428395 /nfs/dbraw/zinc/42/83/95/1052428395.db2.gz SNOMZOQDNJYNDP-UHFFFAOYSA-N 1 0 311.425 4.328 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2OCC=C)cc1 ZINC000236680216 1052428827 /nfs/dbraw/zinc/42/88/27/1052428827.db2.gz ABKQEQHKOLHSPO-UHFFFAOYSA-N 1 0 309.409 4.106 20 30 DIEDRO CCCCCCCCCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000915745922 1052475398 /nfs/dbraw/zinc/47/53/98/1052475398.db2.gz NIHJYBGJZWLBSV-ROUUACIJSA-N 1 0 308.510 4.260 20 30 DIEDRO C=CCc1cc(C[N@H+](C)Cc2ccccc2C)c(O)c(OC)c1 ZINC000915811472 1052481545 /nfs/dbraw/zinc/48/15/45/1052481545.db2.gz VFHYFCHQSFRDRY-UHFFFAOYSA-N 1 0 311.425 4.070 20 30 DIEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000153358591 1052522221 /nfs/dbraw/zinc/52/22/21/1052522221.db2.gz UFRVXJFDTUJAGC-MRXNPFEDSA-N 1 0 308.425 4.334 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1cccc2c1C1(CC2)CC[NH2+]CC1 ZINC001222655086 1052523419 /nfs/dbraw/zinc/52/34/19/1052523419.db2.gz KNUQNJAQELWRBV-UHFFFAOYSA-N 1 0 316.448 4.410 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000763229877 1052550251 /nfs/dbraw/zinc/55/02/51/1052550251.db2.gz DXGRFTYDKLYYPB-VQTJNVASSA-N 1 0 322.452 4.359 20 30 DIEDRO Cc1ccc(OC[C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000324536826 1052553195 /nfs/dbraw/zinc/55/31/95/1052553195.db2.gz IURQRPIKJQIHOM-IRXDYDNUSA-N 1 0 324.424 4.016 20 30 DIEDRO C=C[C@H](O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001223310289 1052587261 /nfs/dbraw/zinc/58/72/61/1052587261.db2.gz GXZNVGXYUMYTQE-SFTDATJTSA-N 1 0 318.420 4.076 20 30 DIEDRO Clc1cccc(N2CCCC2)c1C=NOCc1ccccc1 ZINC000763354833 1052588901 /nfs/dbraw/zinc/58/89/01/1052588901.db2.gz VTTYOVBBQFMJAR-UHFFFAOYSA-N 1 0 314.816 4.491 20 30 DIEDRO Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000763409989 1052625178 /nfs/dbraw/zinc/62/51/78/1052625178.db2.gz WGTLQSQJRACKPZ-OAQYLSRUSA-N 1 0 322.452 4.058 20 30 DIEDRO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000763412507 1052625863 /nfs/dbraw/zinc/62/58/63/1052625863.db2.gz YHBMCKKYFJCLTF-RTWAWAEBSA-N 1 0 320.436 4.127 20 30 DIEDRO C[NH+](C)CC[C@H](O[C@@H](C#N)c1ccccc1)c1cccs1 ZINC001223710267 1052629207 /nfs/dbraw/zinc/62/92/07/1052629207.db2.gz XBQCSKAULBLJQV-HOTGVXAUSA-N 1 0 300.427 4.022 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O[C@H](C#N)c1ccccc1 ZINC001223709615 1052629348 /nfs/dbraw/zinc/62/93/48/1052629348.db2.gz NTIMXSMPPITSRQ-DUXKGJEZSA-N 1 0 320.436 4.178 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1cc(C)c(C2OCCO2)cc1C ZINC001203228144 1052629711 /nfs/dbraw/zinc/62/97/11/1052629711.db2.gz OWDMEDQDCHFTKH-UHFFFAOYSA-N 1 0 303.446 4.183 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O[C@@H](C#N)c1ccccc1 ZINC001223712575 1052629845 /nfs/dbraw/zinc/62/98/45/1052629845.db2.gz GBSKRKMZUGYFGA-QMMLZNLJSA-N 1 0 320.436 4.178 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000125932550 1052657054 /nfs/dbraw/zinc/65/70/54/1052657054.db2.gz KZNMZBDDSFCBCG-AWEZNQCLSA-N 1 0 308.853 4.182 20 30 DIEDRO C=CCCC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125953140 1052659285 /nfs/dbraw/zinc/65/92/85/1052659285.db2.gz ZOFSHNMNJVODKE-IBGZPJMESA-N 1 0 305.425 4.219 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000126073966 1052665063 /nfs/dbraw/zinc/66/50/63/1052665063.db2.gz GRCAUDHFOOYJDI-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO CC(C)[N@@H+]1CC[C@@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224091744 1052667212 /nfs/dbraw/zinc/66/72/12/1052667212.db2.gz VILKTLDGJHCUMG-UOFXHNCJSA-N 1 0 308.425 4.264 20 30 DIEDRO C=CCCCCCCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001224360132 1052691380 /nfs/dbraw/zinc/69/13/80/1052691380.db2.gz NLLOPFIBTJIGJI-ZWKOTPCHSA-N 1 0 302.462 4.370 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OCCCCCCC#N ZINC001224373309 1052691945 /nfs/dbraw/zinc/69/19/45/1052691945.db2.gz PNFLZRDHONCXKL-UYAOXDASSA-N 1 0 314.473 4.388 20 30 DIEDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](OCCCCCCC#N)C1 ZINC001224376682 1052692242 /nfs/dbraw/zinc/69/22/42/1052692242.db2.gz URAORGSTMTWJRL-QZTJIDSGSA-N 1 0 315.461 4.098 20 30 DIEDRO CCCCCCCCCO[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001224393091 1052693528 /nfs/dbraw/zinc/69/35/28/1052693528.db2.gz SSJMBYNIPVREIZ-KDURUIRLSA-N 1 0 311.510 4.397 20 30 DIEDRO C=CCCCCCO[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001224428303 1052696172 /nfs/dbraw/zinc/69/61/72/1052696172.db2.gz UTKBKJFWJDNIDM-MSOLQXFVSA-N 1 0 302.462 4.370 20 30 DIEDRO C=CCCCCCO[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001224427969 1052696427 /nfs/dbraw/zinc/69/64/27/1052696427.db2.gz OBSZZDXPRBCKOO-ICSRJNTNSA-N 1 0 317.473 4.039 20 30 DIEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000917087104 1052697444 /nfs/dbraw/zinc/69/74/44/1052697444.db2.gz QMVYRBXEUIXPDL-FQEVSTJZSA-N 1 0 324.399 4.303 20 30 DIEDRO CC[C@H](COCC[S+](c1ccccc1)c1ccccc1)OC ZINC001224644033 1052712642 /nfs/dbraw/zinc/71/26/42/1052712642.db2.gz WXCVDAZCXAENBM-QGZVFWFLSA-N 1 0 317.474 4.165 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128298506 1052714622 /nfs/dbraw/zinc/71/46/22/1052714622.db2.gz IFIFYSCFRSOLIZ-CQSZACIVSA-N 1 0 306.837 4.123 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128298278 1052714808 /nfs/dbraw/zinc/71/48/08/1052714808.db2.gz IFIFYSCFRSOLIZ-AWEZNQCLSA-N 1 0 306.837 4.123 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](OCCC[NH+]1CCCC1)c1ccccc1 ZINC001224744357 1052722079 /nfs/dbraw/zinc/72/20/79/1052722079.db2.gz JZDCJEFSGRIHPA-LJQANCHMSA-N 1 0 315.533 4.111 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(cc1O)CCC2 ZINC000917485779 1052730618 /nfs/dbraw/zinc/73/06/18/1052730618.db2.gz XDXDLKAVTWDHPN-UHFFFAOYSA-N 1 0 323.436 4.078 20 30 DIEDRO COc1ccccc1[C@H]1CCCCN1Cc1ccccc1C#N ZINC000609280860 1052806175 /nfs/dbraw/zinc/80/61/75/1052806175.db2.gz RCRBWZDZGXRJER-LJQANCHMSA-N 1 0 306.409 4.294 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)CC2 ZINC000556211385 1052821652 /nfs/dbraw/zinc/82/16/52/1052821652.db2.gz CIFWUHGAZMKDFZ-NHCUHLMSSA-N 1 0 302.421 4.329 20 30 DIEDRO CC1CC[NH+]([C@H](C/N=C/c2ccccc2O)c2ccccc2)CC1 ZINC000918713164 1052825626 /nfs/dbraw/zinc/82/56/26/1052825626.db2.gz VZUROZCDFDALEG-INKLHFNDSA-N 1 0 322.452 4.284 20 30 DIEDRO Cc1ccc(C)c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001225802980 1052832771 /nfs/dbraw/zinc/83/27/71/1052832771.db2.gz FMEFPWNLRUNBNQ-FQEVSTJZSA-N 1 0 320.436 4.137 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556410453 1052849437 /nfs/dbraw/zinc/84/94/37/1052849437.db2.gz NFETZARCNFEAEQ-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000556582555 1052867725 /nfs/dbraw/zinc/86/77/25/1052867725.db2.gz AXPCAEOCLMMVGP-VUEDXXQZSA-N 1 0 320.436 4.410 20 30 DIEDRO CCCCCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000919654717 1052879878 /nfs/dbraw/zinc/87/98/78/1052879878.db2.gz IPWRYVYPAIZEPP-MSOLQXFVSA-N 1 0 323.525 4.005 20 30 DIEDRO CCCCCCCCCN(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000919654688 1052880012 /nfs/dbraw/zinc/88/00/12/1052880012.db2.gz KMRIONWUBRDLBF-UHFFFAOYSA-N 1 0 323.525 4.005 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2cc(N)[nH+]c3ccccc32)O1 ZINC001226423424 1052895211 /nfs/dbraw/zinc/89/52/11/1052895211.db2.gz XBFBJUMFNKCDDX-APWZRJJASA-N 1 0 312.413 4.098 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(OC)ccc32)cc1 ZINC000556915380 1052899052 /nfs/dbraw/zinc/89/90/52/1052899052.db2.gz PKTYUHBRAPZPAI-OAQYLSRUSA-N 1 0 323.436 4.427 20 30 DIEDRO N#CC1(c2ccccc2)CCC(Nc2cc3c(c[nH+]2)CCC3)CC1 ZINC000556958669 1052905009 /nfs/dbraw/zinc/90/50/09/1052905009.db2.gz JZUYUFDPXBLCGH-UHFFFAOYSA-N 1 0 317.436 4.386 20 30 DIEDRO N#C[C@@H](Oc1cc[nH+]c(N)c1)c1cccc(Oc2ccccc2)c1 ZINC001226657798 1052919259 /nfs/dbraw/zinc/91/92/59/1052919259.db2.gz RJTIFQNYQPFCMN-GOSISDBHSA-N 1 0 317.348 4.100 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000920183119 1052925933 /nfs/dbraw/zinc/92/59/33/1052925933.db2.gz FIAMFGKAUHKOCR-NHCUHLMSSA-N 1 0 320.436 4.405 20 30 DIEDRO Cc1ccc(C#N)c(O[C@@H](CC[NH+](C)C)c2cccs2)c1 ZINC001226753031 1052928140 /nfs/dbraw/zinc/92/81/40/1052928140.db2.gz DPEFXLPDVDUYSN-HNNXBMFYSA-N 1 0 300.427 4.000 20 30 DIEDRO Cc1ccc(C#N)cc1O[C@H](c1ccccc1)[C@H](C)[NH+]1CCCC1 ZINC001226875159 1052940638 /nfs/dbraw/zinc/94/06/38/1052940638.db2.gz SPVCICQRVANLCS-UWJYYQICSA-N 1 0 320.436 4.471 20 30 DIEDRO Cc1ccc(C#N)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001226879477 1052941259 /nfs/dbraw/zinc/94/12/59/1052941259.db2.gz WJOGFYHUNNJZBP-YLJYHZDGSA-N 1 0 320.436 4.156 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755160 1052945392 /nfs/dbraw/zinc/94/53/92/1052945392.db2.gz URKKDUBLMUZYHQ-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2cccs2)c(O)c1 ZINC000920943982 1052956106 /nfs/dbraw/zinc/95/61/06/1052956106.db2.gz GHTZNXIEFVSPOH-FDIDITGRSA-N 1 0 302.443 4.480 20 30 DIEDRO Cc1nc2c(Nc3ccc(C4(C#N)CC4)cc3)cccn2c1C ZINC001212253228 1052965280 /nfs/dbraw/zinc/96/52/80/1052965280.db2.gz GKQQKRACTYZOQQ-UHFFFAOYSA-N 1 0 302.381 4.250 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000921488445 1052973131 /nfs/dbraw/zinc/97/31/31/1052973131.db2.gz VZTVSERVDJKQFX-UHFFFAOYSA-N 1 0 316.351 4.066 20 30 DIEDRO CCN(Cc1noc2c1CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000609417421 1052977799 /nfs/dbraw/zinc/97/77/99/1052977799.db2.gz JYDNAJQMIRQBDX-AWEZNQCLSA-N 1 0 309.413 4.008 20 30 DIEDRO Cc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1F ZINC000609440392 1052978935 /nfs/dbraw/zinc/97/89/35/1052978935.db2.gz UITBBAWCGTVCCK-UHFFFAOYSA-N 1 0 314.429 4.029 20 30 DIEDRO CC(C)c1cccc(C(C)C)c1O[C@H](CC#N)C[N+](C)(C)C ZINC001227326139 1052982782 /nfs/dbraw/zinc/98/27/82/1052982782.db2.gz PCBKJDPWFQTHLT-MRXNPFEDSA-N 1 0 303.470 4.301 20 30 DIEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)c1ccccc1 ZINC000609739078 1052990355 /nfs/dbraw/zinc/99/03/55/1052990355.db2.gz WHNAHVFZHLSBPC-MRXNPFEDSA-N 1 0 310.397 4.387 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000609916569 1052998864 /nfs/dbraw/zinc/99/88/64/1052998864.db2.gz XWSCKIZRIKOGBQ-GUYCJALGSA-N 1 0 312.363 4.214 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000609916465 1052999180 /nfs/dbraw/zinc/99/91/80/1052999180.db2.gz QAKPIMICWRKIKG-YJBOKZPZSA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000609916462 1052999226 /nfs/dbraw/zinc/99/92/26/1052999226.db2.gz QAKPIMICWRKIKG-CRAIPNDOSA-N 1 0 308.400 4.323 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000610001992 1053002503 /nfs/dbraw/zinc/00/25/03/1053002503.db2.gz RSINCJASCSFYJO-MJGOQNOKSA-N 1 0 320.436 4.124 20 30 DIEDRO Cc1ccc([C@H](C)C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000237544481 1053010683 /nfs/dbraw/zinc/01/06/83/1053010683.db2.gz WXDKXBITUDMMSU-GOSISDBHSA-N 1 0 321.468 4.238 20 30 DIEDRO Cc1cccc(C(C)(C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000237565380 1053012574 /nfs/dbraw/zinc/01/25/74/1053012574.db2.gz ACBXZUXVLIEDNR-QGZVFWFLSA-N 1 0 322.452 4.353 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCCc3ccccc32)cc1 ZINC000237596734 1053013845 /nfs/dbraw/zinc/01/38/45/1053013845.db2.gz ZQUYDBRHEXDRMB-VQIMIIECSA-N 1 0 320.436 4.187 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000237608307 1053015310 /nfs/dbraw/zinc/01/53/10/1053015310.db2.gz FSBYVGOZPSEFPL-QRWLVFNGSA-N 1 0 306.409 4.145 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(C)(C)c1ccccc1 ZINC000237705076 1053020751 /nfs/dbraw/zinc/02/07/51/1053020751.db2.gz OTANZAKOODTBIT-DLBZAZTESA-N 1 0 322.452 4.433 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cnn1C(C)(C)C ZINC000615756724 1053030381 /nfs/dbraw/zinc/03/03/81/1053030381.db2.gz DMZVFKMCQOYLMC-ZIAGYGMSSA-N 1 0 310.445 4.230 20 30 DIEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1 ZINC000180029000 1053041261 /nfs/dbraw/zinc/04/12/61/1053041261.db2.gz PYDNCECEDJUQSO-DAXOMENPSA-N 1 0 308.878 4.274 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cc2cc(OC)ccc2o1)c1ccncc1 ZINC000763474227 1053044275 /nfs/dbraw/zinc/04/42/75/1053044275.db2.gz ZNLVYFAPDRYCHD-SFHVURJKSA-N 1 0 308.381 4.243 20 30 DIEDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000616094608 1053045655 /nfs/dbraw/zinc/04/56/55/1053045655.db2.gz JGUZSJPZHZVHKT-VQTJNVASSA-N 1 0 318.420 4.358 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1Cl ZINC000180554662 1053069458 /nfs/dbraw/zinc/06/94/58/1053069458.db2.gz FOBXOFGVMJDPAB-GFCCVEGCSA-N 1 0 318.779 4.232 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000180560063 1053069745 /nfs/dbraw/zinc/06/97/45/1053069745.db2.gz WOXTZJRRPIRVBI-VQTJNVASSA-N 1 0 324.399 4.154 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1OC ZINC000068979845 1053094012 /nfs/dbraw/zinc/09/40/12/1053094012.db2.gz WVTQZUJZVPASFI-UHFFFAOYSA-N 1 0 309.409 4.039 20 30 DIEDRO C=C(CC)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001350861853 1053112029 /nfs/dbraw/zinc/11/20/29/1053112029.db2.gz MZMGYWQZJSRQHV-UHFFFAOYSA-N 1 0 300.446 4.356 20 30 DIEDRO CC(=O)/C=C\c1ccc(O[C@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001228496394 1053117923 /nfs/dbraw/zinc/11/79/23/1053117923.db2.gz LBCRAKXTLWLXFB-VFCOFNOGSA-N 1 0 323.436 4.361 20 30 DIEDRO CC[N@@H+]1CC[C@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C1 ZINC001228498222 1053118985 /nfs/dbraw/zinc/11/89/85/1053118985.db2.gz LLIBOHPTLZJYCY-YPNIWSFNSA-N 1 0 321.420 4.056 20 30 DIEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)C1 ZINC001228498217 1053119557 /nfs/dbraw/zinc/11/95/57/1053119557.db2.gz LLIBOHPTLZJYCY-KTZABMDBSA-N 1 0 321.420 4.056 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c(O)c(OC)c1 ZINC001317701323 1053126827 /nfs/dbraw/zinc/12/68/27/1053126827.db2.gz JKUAOLFOPUFZQX-DLBZAZTESA-N 1 0 315.457 4.141 20 30 DIEDRO CCC(C)(C)c1ccc(O[C@H](CC#N)C[N+](C)(C)C)c(Cl)c1 ZINC001228696410 1053161534 /nfs/dbraw/zinc/16/15/34/1053161534.db2.gz XCMVHSBZPVZXRX-OAHLLOKOSA-N 1 0 323.888 4.395 20 30 DIEDRO CC#C[C@@H](CC)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228830717 1053188150 /nfs/dbraw/zinc/18/81/50/1053188150.db2.gz SQFQBXNSEDNHPH-MRXNPFEDSA-N 1 0 310.441 4.158 20 30 DIEDRO C=CCc1ccccc1O[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001228847475 1053191951 /nfs/dbraw/zinc/19/19/51/1053191951.db2.gz UMIZVBXIXBDGHU-IEBWSBKVSA-N 1 0 322.452 4.415 20 30 DIEDRO C=CCc1ccccc1O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001228846108 1053192083 /nfs/dbraw/zinc/19/20/83/1053192083.db2.gz IDYPFMWXTAJADV-SJLPKXTDSA-N 1 0 308.425 4.024 20 30 DIEDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1 ZINC000181398782 1053200728 /nfs/dbraw/zinc/20/07/28/1053200728.db2.gz OXLMIPXQWOVUHU-QFBILLFUSA-N 1 0 323.440 4.029 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1 ZINC000181398741 1053201205 /nfs/dbraw/zinc/20/12/05/1053201205.db2.gz OXLMIPXQWOVUHU-LPHOPBHVSA-N 1 0 323.440 4.029 20 30 DIEDRO C[C@@H](OCCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000181420611 1053205919 /nfs/dbraw/zinc/20/59/19/1053205919.db2.gz HXHBWYPNOAVLNE-DLBZAZTESA-N 1 0 308.425 4.377 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728354 1053212461 /nfs/dbraw/zinc/21/24/61/1053212461.db2.gz ASSRTRHTWQISQP-OLZOCXBDSA-N 1 0 319.836 4.123 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCC1)c1ccc(OCC#N)cc1 ZINC000181445955 1053214468 /nfs/dbraw/zinc/21/44/68/1053214468.db2.gz DQYLKFJZCIKMDV-QGZVFWFLSA-N 1 0 320.436 4.361 20 30 DIEDRO N#CCSCCC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000181465068 1053218207 /nfs/dbraw/zinc/21/82/07/1053218207.db2.gz HIZIBHVBKDIRPE-UHFFFAOYSA-N 1 0 308.878 4.346 20 30 DIEDRO C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000181479438 1053220217 /nfs/dbraw/zinc/22/02/17/1053220217.db2.gz YUTYBWGLHFZYNU-OAHLLOKOSA-N 1 0 312.388 4.207 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3c(c2)CCC3)c1 ZINC001319123857 1053220330 /nfs/dbraw/zinc/22/03/30/1053220330.db2.gz UVQXTHKTWBRVAD-HXUWFJFHSA-N 1 0 320.436 4.146 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(/N=N/c2ccccc2)cc1 ZINC001229006181 1053221736 /nfs/dbraw/zinc/22/17/36/1053221736.db2.gz BJMFNHISGPMAGJ-XKXPVHLMSA-N 1 0 323.420 4.469 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1cccc(C#N)c1Cl)c1cccs1 ZINC001229066770 1053237337 /nfs/dbraw/zinc/23/73/37/1053237337.db2.gz FBLWAKIYEAJYFC-ZDUSSCGKSA-N 1 0 320.845 4.345 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)C1CC1 ZINC000090911411 1053248252 /nfs/dbraw/zinc/24/82/52/1053248252.db2.gz XOAIPQSSBGFHIM-RHSMWYFYSA-N 1 0 311.429 4.175 20 30 DIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)COCc1ccccc1 ZINC000181606963 1053258975 /nfs/dbraw/zinc/25/89/75/1053258975.db2.gz MLRMIBXULZJKAC-IAGOWNOFSA-N 1 0 308.425 4.062 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000772952546 1053267529 /nfs/dbraw/zinc/26/75/29/1053267529.db2.gz HQQFMBQRQXSDED-BIXGBWIQSA-N 1 0 318.420 4.114 20 30 DIEDRO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccccc1F ZINC001319798127 1053273508 /nfs/dbraw/zinc/27/35/08/1053273508.db2.gz AFZIFUDEHIIYNB-OAHLLOKOSA-N 1 0 312.388 4.139 20 30 DIEDRO Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC001229213111 1053274949 /nfs/dbraw/zinc/27/49/49/1053274949.db2.gz KVWKNKHTMWBTMZ-UTKZUKDTSA-N 1 0 320.436 4.156 20 30 DIEDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)CC(C)(C)CCC#N ZINC000092008933 1053278175 /nfs/dbraw/zinc/27/81/75/1053278175.db2.gz SYZXAAIORRTFQX-UHFFFAOYSA-N 1 0 314.351 4.347 20 30 DIEDRO COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181725922 1053285215 /nfs/dbraw/zinc/28/52/15/1053285215.db2.gz SBXQKCRDUNAJKL-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000181749154 1053286252 /nfs/dbraw/zinc/28/62/52/1053286252.db2.gz VUOHOSFKCXPRGI-SJORKVTESA-N 1 0 321.468 4.338 20 30 DIEDRO C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000181749169 1053286536 /nfs/dbraw/zinc/28/65/36/1053286536.db2.gz VUOHOSFKCXPRGI-IAGOWNOFSA-N 1 0 321.468 4.338 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(Nc3ccccc3)CC2)c1 ZINC001319932915 1053287210 /nfs/dbraw/zinc/28/72/10/1053287210.db2.gz IRYMYHMDOMPTTF-UHFFFAOYSA-N 1 0 322.452 4.328 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000618281996 1053288461 /nfs/dbraw/zinc/28/84/61/1053288461.db2.gz KQIYTROKYVGWNQ-KRWDZBQOSA-N 1 0 302.487 4.497 20 30 DIEDRO Cc1cccc([C@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181801102 1053292186 /nfs/dbraw/zinc/29/21/86/1053292186.db2.gz GHUAVEZWGVSODE-SJORKVTESA-N 1 0 308.425 4.352 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000618311016 1053293361 /nfs/dbraw/zinc/29/33/61/1053293361.db2.gz XQERFJVCXOOOSV-AWEZNQCLSA-N 1 0 310.363 4.262 20 30 DIEDRO C=C(C)C[C@H](Oc1ccc(C(=O)CC[NH+](C)C)cc1)C(=C)C ZINC001229303525 1053296116 /nfs/dbraw/zinc/29/61/16/1053296116.db2.gz UCDUHVWPBJBGRK-IBGZPJMESA-N 1 0 301.430 4.111 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001320040145 1053297389 /nfs/dbraw/zinc/29/73/89/1053297389.db2.gz VLPKKTJMQKYGFS-ZDUSSCGKSA-N 1 0 317.376 4.075 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229373692 1053309056 /nfs/dbraw/zinc/30/90/56/1053309056.db2.gz CWLFPGGJIOJWDR-GOSISDBHSA-N 1 0 312.388 4.049 20 30 DIEDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000181933387 1053312978 /nfs/dbraw/zinc/31/29/78/1053312978.db2.gz HGIOEGDNYNDOQY-QGZVFWFLSA-N 1 0 322.452 4.435 20 30 DIEDRO CCC[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001320236577 1053318000 /nfs/dbraw/zinc/31/80/00/1053318000.db2.gz BFYZHAUEVCOMMF-FQEVSTJZSA-N 1 0 322.452 4.480 20 30 DIEDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000181980550 1053319039 /nfs/dbraw/zinc/31/90/39/1053319039.db2.gz PGLBYLRKKHYOQZ-IIBYNOLFSA-N 1 0 320.436 4.261 20 30 DIEDRO Cc1cc(C)cc(C2=CC[N@H+](CCCSCC#N)CC2)c1 ZINC000092426853 1053321534 /nfs/dbraw/zinc/32/15/34/1053321534.db2.gz VANNNIMQORNTTF-UHFFFAOYSA-N 1 0 300.471 4.039 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000181997767 1053322637 /nfs/dbraw/zinc/32/26/37/1053322637.db2.gz OCKXNXPZQPBYCM-ACJLOTCBSA-N 1 0 314.816 4.250 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000182000473 1053323209 /nfs/dbraw/zinc/32/32/09/1053323209.db2.gz CJKOYNKJZJJAFW-APWZRJJASA-N 1 0 320.436 4.360 20 30 DIEDRO CC(C)COc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181995643 1053324090 /nfs/dbraw/zinc/32/40/90/1053324090.db2.gz DKZMXJKGNKTEPU-MRXNPFEDSA-N 1 0 308.425 4.444 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1F ZINC000618578765 1053325323 /nfs/dbraw/zinc/32/53/23/1053325323.db2.gz XATPFDIHWXDRLW-STQMWFEESA-N 1 0 308.828 4.429 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)C1 ZINC000618564700 1053325441 /nfs/dbraw/zinc/32/54/41/1053325441.db2.gz KADLVZAASBNFGJ-ZBFHGGJFSA-N 1 0 310.363 4.310 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000618577885 1053325802 /nfs/dbraw/zinc/32/58/02/1053325802.db2.gz RRGVEIHEDMLVJT-CABCVRRESA-N 1 0 318.411 4.449 20 30 DIEDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C[C@H]1OCc1ccccc1 ZINC000618578780 1053326087 /nfs/dbraw/zinc/32/60/87/1053326087.db2.gz YJRGADVJXPSCKA-NCXUSEDFSA-N 1 0 312.457 4.042 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCc2c(F)cccc2Cl)c(F)c1 ZINC000618600451 1053330026 /nfs/dbraw/zinc/33/00/26/1053330026.db2.gz LLWXBMOZPUWEQG-UHFFFAOYSA-N 1 0 320.770 4.212 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)ccc1C#N ZINC001200046408 1053330932 /nfs/dbraw/zinc/33/09/32/1053330932.db2.gz PLEOQQGFSOLCAP-SJLPKXTDSA-N 1 0 300.446 4.261 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC001320427565 1053333673 /nfs/dbraw/zinc/33/36/73/1053333673.db2.gz GKZBAQIHTGHYRZ-YPMHNXCESA-N 1 0 320.433 4.109 20 30 DIEDRO C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000182072553 1053339228 /nfs/dbraw/zinc/33/92/28/1053339228.db2.gz PRPRMRGGWKAHMU-CQSZACIVSA-N 1 0 314.816 4.079 20 30 DIEDRO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1cccc(C#N)c1 ZINC000182096072 1053345096 /nfs/dbraw/zinc/34/50/96/1053345096.db2.gz CUTXJLLMQLUUMI-CYBMUJFWSA-N 1 0 313.470 4.206 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)c1 ZINC001320570054 1053345401 /nfs/dbraw/zinc/34/54/01/1053345401.db2.gz ZYCJLFKQIPKTDF-YQHFOJDRSA-N 1 0 320.436 4.360 20 30 DIEDRO CC1(C)Cc2cccc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)c2O1 ZINC000618741298 1053357287 /nfs/dbraw/zinc/35/72/87/1053357287.db2.gz DNXOAUBIPMJSEV-LJQANCHMSA-N 1 0 318.420 4.049 20 30 DIEDRO CC1(C)Cc2cccc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)c2O1 ZINC000618741294 1053357923 /nfs/dbraw/zinc/35/79/23/1053357923.db2.gz DNXOAUBIPMJSEV-IBGZPJMESA-N 1 0 318.420 4.049 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000618742717 1053359267 /nfs/dbraw/zinc/35/92/67/1053359267.db2.gz QCQWWRSBLNPCOE-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000618743054 1053360734 /nfs/dbraw/zinc/36/07/34/1053360734.db2.gz VHKBPHMPLUXFFN-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000618741877 1053361196 /nfs/dbraw/zinc/36/11/96/1053361196.db2.gz IOCQKAPUBAWGGG-QGZVFWFLSA-N 1 0 316.326 4.354 20 30 DIEDRO C#CCCCC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000182151425 1053361547 /nfs/dbraw/zinc/36/15/47/1053361547.db2.gz ZXDPAZBPKZQXRU-UHFFFAOYSA-N 1 0 313.485 4.333 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCSc2ccccc21 ZINC000618801639 1053365451 /nfs/dbraw/zinc/36/54/51/1053365451.db2.gz BKFIXYHZGYPHQP-MSOLQXFVSA-N 1 0 306.434 4.372 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC001320835724 1053366101 /nfs/dbraw/zinc/36/61/01/1053366101.db2.gz BLNZXCKSGASHGF-ZDUSSCGKSA-N 1 0 319.351 4.002 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000618804767 1053369859 /nfs/dbraw/zinc/36/98/59/1053369859.db2.gz MFLOFYUBMOLHFE-RTWAWAEBSA-N 1 0 313.404 4.084 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000618806141 1053370075 /nfs/dbraw/zinc/37/00/75/1053370075.db2.gz PPOBNGFWRYYIHJ-MOPGFXCFSA-N 1 0 308.812 4.476 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000618805392 1053370444 /nfs/dbraw/zinc/37/04/44/1053370444.db2.gz ODJKTTJGEZPIDO-NLPFYKDJSA-N 1 0 306.384 4.220 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000618803180 1053370568 /nfs/dbraw/zinc/37/05/68/1053370568.db2.gz QMLPTQYRYWLUSD-SCLBCKFNSA-N 1 0 321.380 4.113 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 ZINC000618805813 1053371333 /nfs/dbraw/zinc/37/13/33/1053371333.db2.gz PHMCLTIONSLADS-PXAZEXFGSA-N 1 0 304.384 4.349 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805100 1053371427 /nfs/dbraw/zinc/37/14/27/1053371427.db2.gz CUOBQTPNYUCDKS-VTJXTGGHSA-N 1 0 320.436 4.336 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000618808140 1053372304 /nfs/dbraw/zinc/37/23/04/1053372304.db2.gz ZINOUOCMCKAXMP-RBUKOAKNSA-N 1 0 310.347 4.101 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(F)c1 ZINC000618807112 1053372776 /nfs/dbraw/zinc/37/27/76/1053372776.db2.gz SUUXOZIBOGFSEI-HXPMCKFVSA-N 1 0 310.372 4.044 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(F)c1 ZINC000618807108 1053373052 /nfs/dbraw/zinc/37/30/52/1053373052.db2.gz SUUXOZIBOGFSEI-BLVKFPJESA-N 1 0 310.372 4.044 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000618808135 1053373268 /nfs/dbraw/zinc/37/32/68/1053373268.db2.gz ZINOUOCMCKAXMP-MOPGFXCFSA-N 1 0 310.347 4.101 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618807185 1053373465 /nfs/dbraw/zinc/37/34/65/1053373465.db2.gz VHASFHIOBGGLNQ-SGTLLEGYSA-N 1 0 310.372 4.044 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc2c(s1)CCC2 ZINC000618808215 1053373866 /nfs/dbraw/zinc/37/38/66/1053373866.db2.gz ZQXCARHNSXMRMN-SJCJKPOMSA-N 1 0 308.450 4.447 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001320910449 1053375326 /nfs/dbraw/zinc/37/53/26/1053375326.db2.gz OTCGUZRTOIOQIN-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccc(C#N)cc1 ZINC001321016140 1053381570 /nfs/dbraw/zinc/38/15/70/1053381570.db2.gz PPGAWYHSYFCNSN-CQSZACIVSA-N 1 0 319.202 4.155 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](Oc2ccccc2C[NH+](C)C)C(C)(C)O1 ZINC001229702280 1053387504 /nfs/dbraw/zinc/38/75/04/1053387504.db2.gz RTWDGKVKNYQMNE-MJGOQNOKSA-N 1 0 303.446 4.029 20 30 DIEDRO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@H](C)CCC#N)n1 ZINC000618888253 1053389621 /nfs/dbraw/zinc/38/96/21/1053389621.db2.gz OSPBOPPSKLVOLO-MRXNPFEDSA-N 1 0 322.456 4.036 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2cc(C)ccc2OC)CC1 ZINC000093405891 1053401682 /nfs/dbraw/zinc/40/16/82/1053401682.db2.gz WGDMULFZFNXYEQ-IBGZPJMESA-N 1 0 316.489 4.085 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000093405881 1053402109 /nfs/dbraw/zinc/40/21/09/1053402109.db2.gz WGZIBWLNAHRHPD-GOSISDBHSA-N 1 0 304.503 4.219 20 30 DIEDRO C[C@@H]1SCC[N@H+](CC(C)(C)CCC#N)[C@H]1c1ccccc1 ZINC000093535716 1053422295 /nfs/dbraw/zinc/42/22/95/1053422295.db2.gz JNKRVHUPWCOCAA-DOTOQJQBSA-N 1 0 302.487 4.495 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cc3ccccc3[nH]2)C2CC2)cc1 ZINC000619069289 1053426198 /nfs/dbraw/zinc/42/61/98/1053426198.db2.gz YRMYWLCWOZBDFF-UHFFFAOYSA-N 1 0 301.393 4.204 20 30 DIEDRO Cc1cc(C[NH2+]CCc2ccc3ccccc3c2)ccc1C#N ZINC001200172640 1053439013 /nfs/dbraw/zinc/43/90/13/1053439013.db2.gz MTISXJHWPORQHJ-UHFFFAOYSA-N 1 0 300.405 4.352 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000093838561 1053456999 /nfs/dbraw/zinc/45/69/99/1053456999.db2.gz KWBOJNYMHBMRFL-CQSZACIVSA-N 1 0 306.837 4.123 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)CCc2nccs2)cc1Cl ZINC000093843736 1053457598 /nfs/dbraw/zinc/45/75/98/1053457598.db2.gz DPKHLVZVXYESON-UHFFFAOYSA-N 1 0 322.861 4.036 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001300183224 1053469379 /nfs/dbraw/zinc/46/93/79/1053469379.db2.gz QLIQCKWUWXZGOX-VVZAMHAXSA-N 1 0 320.521 4.093 20 30 DIEDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619287066 1053472453 /nfs/dbraw/zinc/47/24/53/1053472453.db2.gz YFILQPRYNQQWRL-DOMZBBRYSA-N 1 0 310.363 4.260 20 30 DIEDRO N#CC1(C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000619535290 1053508060 /nfs/dbraw/zinc/50/80/60/1053508060.db2.gz PIWJYTAUSATJDI-UHFFFAOYSA-N 1 0 315.420 4.083 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1CC#N ZINC001230276669 1053511333 /nfs/dbraw/zinc/51/13/33/1053511333.db2.gz ZRANCOKVMURGQL-YLJYHZDGSA-N 1 0 320.436 4.042 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCCC(C)(C)C2)cc(OC)c1OC ZINC001200268757 1053511864 /nfs/dbraw/zinc/51/18/64/1053511864.db2.gz PIKCXBGHIFBWNI-KRWDZBQOSA-N 1 0 317.473 4.491 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@H](C)CC2)cc(OC)c1OC ZINC001200267302 1053512193 /nfs/dbraw/zinc/51/21/93/1053512193.db2.gz DWKXLKKYCHCXLP-YJBOKZPZSA-N 1 0 317.473 4.491 20 30 DIEDRO N#CC1(CCC[NH2+][C@@H](CC2CC2)c2ccccc2)CCOCC1 ZINC000619621140 1053520406 /nfs/dbraw/zinc/52/04/06/1053520406.db2.gz PPHUOUAOLWEQCQ-IBGZPJMESA-N 1 0 312.457 4.218 20 30 DIEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754454 1053545651 /nfs/dbraw/zinc/54/56/51/1053545651.db2.gz AAUXEMRQGYWUPA-ACJLOTCBSA-N 1 0 314.816 4.077 20 30 DIEDRO CCCCCCCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001230487606 1053546869 /nfs/dbraw/zinc/54/68/69/1053546869.db2.gz KIUNVLMTEGMHBB-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000619755694 1053547021 /nfs/dbraw/zinc/54/70/21/1053547021.db2.gz PQIPQKTXPQBKDB-LLVKDONJSA-N 1 0 313.763 4.073 20 30 DIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)ccc1F ZINC000619755359 1053547915 /nfs/dbraw/zinc/54/79/15/1053547915.db2.gz FSDZWLNPRGWYNR-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754773 1053548665 /nfs/dbraw/zinc/54/86/65/1053548665.db2.gz KIKULDFWSLYNMN-ZDUSSCGKSA-N 1 0 316.807 4.462 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccn1 ZINC000619755675 1053548757 /nfs/dbraw/zinc/54/87/57/1053548757.db2.gz PBRUWCVTZVQXLI-GOSISDBHSA-N 1 0 313.832 4.484 20 30 DIEDRO COCCC1(C[NH2+]Cc2ccc(C#N)c(Cl)c2)CCCCC1 ZINC000619748675 1053554489 /nfs/dbraw/zinc/55/44/89/1053554489.db2.gz QKZHDFHHQOQNOF-UHFFFAOYSA-N 1 0 320.864 4.288 20 30 DIEDRO C=C(C)C[NH+]1CCC(N[C@@H](CC)c2cc(F)ccc2F)CC1 ZINC000152974190 1053564922 /nfs/dbraw/zinc/56/49/22/1053564922.db2.gz YSYXZAUZJKAPQA-SFHVURJKSA-N 1 0 308.416 4.046 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000619823098 1053565522 /nfs/dbraw/zinc/56/55/22/1053565522.db2.gz QSJFKOZUHPQHCI-BVGQSLNGSA-N 1 0 310.828 4.493 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000153001776 1053568680 /nfs/dbraw/zinc/56/86/80/1053568680.db2.gz CMYFPZKSYCVLAQ-SFHVURJKSA-N 1 0 308.416 4.046 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cl)c1F)CC2 ZINC001324158697 1053630021 /nfs/dbraw/zinc/63/00/21/1053630021.db2.gz OAWKOGAZMHTIIH-INIZCTEOSA-N 1 0 300.764 4.128 20 30 DIEDRO C[C@@H](Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000183329250 1053636168 /nfs/dbraw/zinc/63/61/68/1053636168.db2.gz WODJGERLLNNBTP-QGZVFWFLSA-N 1 0 319.452 4.370 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C(F)F)c2)cc1 ZINC001324333636 1053643744 /nfs/dbraw/zinc/64/37/44/1053643744.db2.gz IWUSZZOGKJIBGU-CYBMUJFWSA-N 1 0 316.351 4.205 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC001324923852 1053689303 /nfs/dbraw/zinc/68/93/03/1053689303.db2.gz GKPCNIPFEKOHHI-UHFFFAOYSA-N 1 0 315.457 4.080 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(F)cc1 ZINC001325298728 1053710397 /nfs/dbraw/zinc/71/03/97/1053710397.db2.gz DTAVFFQFECAZNL-LIRRHRJNSA-N 1 0 312.388 4.357 20 30 DIEDRO C=C(C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000620756477 1053728807 /nfs/dbraw/zinc/72/88/07/1053728807.db2.gz CUAWKCNZAPGSRV-UHFFFAOYSA-N 1 0 317.436 4.292 20 30 DIEDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000267202917 1053738881 /nfs/dbraw/zinc/73/88/81/1053738881.db2.gz GDQPVKSYONOBDN-CABCVRRESA-N 1 0 310.397 4.009 20 30 DIEDRO COc1ccccc1C1([NH2+][C@H]2CCc3ccc(C#N)cc32)CCC1 ZINC001325880552 1053739919 /nfs/dbraw/zinc/73/99/19/1053739919.db2.gz SIORJNGJERKIJM-IBGZPJMESA-N 1 0 318.420 4.223 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC001200545280 1053749625 /nfs/dbraw/zinc/74/96/25/1053749625.db2.gz VNWSTMHBHLRPRN-UHFFFAOYSA-N 1 0 306.409 4.331 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(Cl)nc1NC(=O)C(C)(C)C ZINC001231450297 1053755973 /nfs/dbraw/zinc/75/59/73/1053755973.db2.gz PATGYOSMHMXWNJ-UHFFFAOYSA-N 1 0 323.868 4.118 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccncc1 ZINC001200562886 1053765181 /nfs/dbraw/zinc/76/51/81/1053765181.db2.gz QZIRGAVHEBQQEW-MRXNPFEDSA-N 1 0 322.330 4.229 20 30 DIEDRO Cc1c(C)c(C)c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c(C)c1C ZINC001231492411 1053769099 /nfs/dbraw/zinc/76/90/99/1053769099.db2.gz JQHQRSCQCWJQDY-GOSISDBHSA-N 1 0 315.482 4.003 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2ccc3ccccc3n2)c1 ZINC000620947486 1053802727 /nfs/dbraw/zinc/80/27/27/1053802727.db2.gz XINMNSNGGPQMRQ-UHFFFAOYSA-N 1 0 318.420 4.132 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001231618497 1053804842 /nfs/dbraw/zinc/80/48/42/1053804842.db2.gz MMQOFNMFRABPNM-IBGZPJMESA-N 1 0 320.436 4.022 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC001231618585 1053805757 /nfs/dbraw/zinc/80/57/57/1053805757.db2.gz OPVOJDZGUMFWDV-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO COc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C(C)C ZINC001231627436 1053808800 /nfs/dbraw/zinc/80/88/00/1053808800.db2.gz CBLKPXKQXHZIFU-XGWQRUHWSA-N 1 0 312.457 4.394 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271505858 1053817491 /nfs/dbraw/zinc/81/74/91/1053817491.db2.gz RLMIGIFZRWUWRD-HOTGVXAUSA-N 1 0 324.424 4.318 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCOC(F)F)cc1 ZINC000194037993 1053837812 /nfs/dbraw/zinc/83/78/12/1053837812.db2.gz FEEGJJNOTONKJZ-GFCCVEGCSA-N 1 0 319.779 4.098 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(OC)c(OC(C)=O)c1 ZINC001231709919 1053838434 /nfs/dbraw/zinc/83/84/34/1053838434.db2.gz QZWJNCYYCJTVEV-UHFFFAOYSA-N 1 0 307.434 4.023 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC001436461540 1053870036 /nfs/dbraw/zinc/87/00/36/1053870036.db2.gz GQPBIKZVQFYOGQ-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000184002785 1053906585 /nfs/dbraw/zinc/90/65/85/1053906585.db2.gz VPLUHORDGPXRKC-NXOAAHMSSA-N 1 0 322.493 4.109 20 30 DIEDRO Cc1ccccc1O[C@@H](C)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001200772577 1053962013 /nfs/dbraw/zinc/96/20/13/1053962013.db2.gz CGUPGBOYGYPBMS-KRWDZBQOSA-N 1 0 308.425 4.041 20 30 DIEDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(C#N)c(Cl)c1 ZINC001232117060 1053964538 /nfs/dbraw/zinc/96/45/38/1053964538.db2.gz UNMHTYXJCFXWRG-UHFFFAOYSA-N 1 0 313.832 4.061 20 30 DIEDRO C#CC[N@@H+](Cc1cnc(SC)cc1C)[C@@H]1CCc2ccccc21 ZINC001232348017 1054025384 /nfs/dbraw/zinc/02/53/84/1054025384.db2.gz JKJUSZWQZQVWMF-LJQANCHMSA-N 1 0 322.477 4.235 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1cccc(C2CC2)c1 ZINC001330361248 1054035467 /nfs/dbraw/zinc/03/54/67/1054035467.db2.gz GRHCZMSZLWOTPV-HNNXBMFYSA-N 1 0 306.409 4.317 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(OCc2ccccc2)no1 ZINC001232449900 1054044967 /nfs/dbraw/zinc/04/49/67/1054044967.db2.gz KPNBMTVVJXMBSW-UHFFFAOYSA-N 1 0 300.402 4.042 20 30 DIEDRO C=CC[N@H+](Cc1cc(OCc2ccccc2)no1)C(C)(C)C ZINC001232450651 1054046384 /nfs/dbraw/zinc/04/63/84/1054046384.db2.gz WVLLQODHXREACT-UHFFFAOYSA-N 1 0 300.402 4.040 20 30 DIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)ccn2)cc1C ZINC001232482033 1054055564 /nfs/dbraw/zinc/05/55/64/1054055564.db2.gz PPWJMHBNVNLLTD-FQEVSTJZSA-N 1 0 305.425 4.297 20 30 DIEDRO CCCCCCC[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC001330963155 1054056055 /nfs/dbraw/zinc/05/60/55/1054056055.db2.gz LSVSKVZTQPXCCE-LJQANCHMSA-N 1 0 314.473 4.405 20 30 DIEDRO Cc1cccc(F)c1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001232483319 1054056951 /nfs/dbraw/zinc/05/69/51/1054056951.db2.gz GATYZMOKKWFOGS-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC001331057098 1054060146 /nfs/dbraw/zinc/06/01/46/1054060146.db2.gz CQCPRTVRMBLRMH-MNOVXSKESA-N 1 0 300.324 4.018 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3cc4ccoc4cn3)CC2)c1 ZINC001232553322 1054069306 /nfs/dbraw/zinc/06/93/06/1054069306.db2.gz OHCDCPSLPPHODE-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO C=CCCCCN(C)Cc1cnc(Cl)cc1Br ZINC001232686560 1054102916 /nfs/dbraw/zinc/10/29/16/1054102916.db2.gz RLSXVWFOBSFUSF-UHFFFAOYSA-N 1 0 317.658 4.286 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001331307337 1054071156 /nfs/dbraw/zinc/07/11/56/1054071156.db2.gz WPCREEFGRDJFGS-KEYYUXOJSA-N 1 0 306.409 4.471 20 30 DIEDRO COc1cccc(C)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001232621587 1054086225 /nfs/dbraw/zinc/08/62/25/1054086225.db2.gz FZQIDDQHRBPUIV-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO C=CCN(Cc1cnc(Cl)cc1Br)C(C)(C)C ZINC001232688153 1054102004 /nfs/dbraw/zinc/10/20/04/1054102004.db2.gz MFCZIISXQFZUNW-UHFFFAOYSA-N 1 0 317.658 4.284 20 30 DIEDRO CCCCCCCCCC[N@H+](C)Cc1ccnc(C(=O)OC)c1 ZINC001232773719 1054119219 /nfs/dbraw/zinc/11/92/19/1054119219.db2.gz AYYZEQMODYAQDX-UHFFFAOYSA-N 1 0 320.477 4.441 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(N2CCCC2)c1 ZINC001332711495 1054125440 /nfs/dbraw/zinc/12/54/40/1054125440.db2.gz FYEOMKTWKVLPEM-AOCRQIFASA-N 1 0 311.473 4.267 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccccn2)C2CCCCC2)s1 ZINC001232845780 1054130128 /nfs/dbraw/zinc/13/01/28/1054130128.db2.gz PYGFQLPPICGIME-UHFFFAOYSA-N 1 0 311.454 4.350 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1nc(C(C)(C)C)cs1 ZINC001332887638 1054131657 /nfs/dbraw/zinc/13/16/57/1054131657.db2.gz YPYCKJFNSCLQCS-IYXRBSQSSA-N 1 0 305.491 4.421 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)ccc1OC ZINC000622266633 1054134937 /nfs/dbraw/zinc/13/49/37/1054134937.db2.gz VMESJQMMVHMKDB-WBVHZDCISA-N 1 0 303.446 4.318 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001232888829 1054140714 /nfs/dbraw/zinc/14/07/14/1054140714.db2.gz SIDLDWZIDDBOPC-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO CCCC[N@H+](CCC)Cc1ccc(Br)c(C#N)c1 ZINC001232895351 1054144106 /nfs/dbraw/zinc/14/41/06/1054144106.db2.gz METDMFAYMGMLNM-UHFFFAOYSA-N 1 0 309.251 4.333 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1nc(Br)cs1 ZINC000848560348 1054149418 /nfs/dbraw/zinc/14/94/18/1054149418.db2.gz LRIHLJKIYXDXPW-SNVBAGLBSA-N 1 0 303.269 4.303 20 30 DIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)n2)cc1C ZINC001232926657 1054150614 /nfs/dbraw/zinc/15/06/14/1054150614.db2.gz YYMJJZYAJDKSJA-FQEVSTJZSA-N 1 0 305.425 4.297 20 30 DIEDRO N#Cc1cccc(CN2CCC[C@@H]2c2ccc(Cl)s2)n1 ZINC001232924588 1054150761 /nfs/dbraw/zinc/15/07/61/1054150761.db2.gz MDLGMVXETROKGS-CYBMUJFWSA-N 1 0 303.818 4.005 20 30 DIEDRO CCN(Cc1cccc(C#N)n1)Cc1ccc(Cl)cc1Cl ZINC001232926588 1054150909 /nfs/dbraw/zinc/15/09/09/1054150909.db2.gz VCGLHUDBXNVJGZ-UHFFFAOYSA-N 1 0 320.223 4.282 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(N(C)C)cc1 ZINC000848566681 1054152489 /nfs/dbraw/zinc/15/24/89/1054152489.db2.gz FMOKFWSWJOFTFQ-MRXNPFEDSA-N 1 0 319.452 4.354 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2C#N)c1 ZINC001232967081 1054162749 /nfs/dbraw/zinc/16/27/49/1054162749.db2.gz ALDGOZCZPUYYBB-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO CN(Cc1cccc(C#N)c1)Cc1ccc(Cl)c(F)c1F ZINC001233213726 1054203441 /nfs/dbraw/zinc/20/34/41/1054203441.db2.gz OMTWTSMKPGNKJU-UHFFFAOYSA-N 1 0 306.743 4.122 20 30 DIEDRO C=C(C)C[N@@H+](CCCC(F)(F)F)Cc1cnn(C(C)C)c1 ZINC001335500773 1054219764 /nfs/dbraw/zinc/21/97/64/1054219764.db2.gz UUGHXSVKIBJEEB-UHFFFAOYSA-N 1 0 303.372 4.185 20 30 DIEDRO N#CC1CCC(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC001335800295 1054225035 /nfs/dbraw/zinc/22/50/35/1054225035.db2.gz HKZKCJNFLOGPBH-YMAMQOFZSA-N 1 0 304.384 4.084 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cc(C(=O)OCC)ccn1 ZINC001233325830 1054232827 /nfs/dbraw/zinc/23/28/27/1054232827.db2.gz FILIKMTYNLSEML-UHFFFAOYSA-N 1 0 306.450 4.051 20 30 DIEDRO N#C[C@H]1CCC[N@H+](Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001233331385 1054235427 /nfs/dbraw/zinc/23/54/27/1054235427.db2.gz UCIPNPNCSHLAQL-FQEVSTJZSA-N 1 0 304.437 4.403 20 30 DIEDRO N#CCCN(Cc1cccc2nccn21)C1CCCCCCC1 ZINC001233362448 1054250402 /nfs/dbraw/zinc/25/04/02/1054250402.db2.gz CFRQZOCYRKGMBD-UHFFFAOYSA-N 1 0 310.445 4.163 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1N ZINC001233380847 1054257920 /nfs/dbraw/zinc/25/79/20/1054257920.db2.gz GQMXEFVAWOAPQX-UHFFFAOYSA-N 1 0 302.368 4.125 20 30 DIEDRO C=CCN(Cc1cn2ccc(Cl)cc2n1)Cc1ccccc1 ZINC001233392045 1054260165 /nfs/dbraw/zinc/26/01/65/1054260165.db2.gz ISDDETUYBRMCKG-UHFFFAOYSA-N 1 0 311.816 4.176 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(Cl)c1F)c1ccc(OCC#N)cc1 ZINC001337258763 1054261964 /nfs/dbraw/zinc/26/19/64/1054261964.db2.gz CPESLDYYKJBFPH-LBPRGKRZSA-N 1 0 318.779 4.232 20 30 DIEDRO CC(C)[N@@H+]1CC[C@H](Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233512193 1054286280 /nfs/dbraw/zinc/28/62/80/1054286280.db2.gz LPWVMYOTFBKUGQ-FQEVSTJZSA-N 1 0 306.409 4.087 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccc(C#N)cc1F ZINC001338630875 1054310469 /nfs/dbraw/zinc/31/04/69/1054310469.db2.gz IGPWLYNHFOXELN-LLVKDONJSA-N 1 0 304.315 4.486 20 30 DIEDRO C=CC[N@@H+](Cc1cn2c(cccc2Cl)n1)C1CCCCC1 ZINC001233609442 1054311018 /nfs/dbraw/zinc/31/10/18/1054311018.db2.gz WCXRURDXSPUPHF-UHFFFAOYSA-N 1 0 303.837 4.308 20 30 DIEDRO Cc1ccc(C[C@@H](C#N)SCC[N@@H+](C)Cc2ccccc2)cc1 ZINC001473023917 1054314349 /nfs/dbraw/zinc/31/43/49/1054314349.db2.gz WYLAJKDIXAXEPA-FQEVSTJZSA-N 1 0 324.493 4.295 20 30 DIEDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC001339118818 1054323939 /nfs/dbraw/zinc/32/39/39/1054323939.db2.gz SRBHLXKKCAKRMF-BLLLJJGKSA-N 1 0 310.372 4.050 20 30 DIEDRO C=C(C)C(C)(C)C(=O)N[C@@H](CC[NH+](CC)CC)c1ccccc1 ZINC001440142434 1054333590 /nfs/dbraw/zinc/33/35/90/1054333590.db2.gz OYDRITZIQNQRAY-SFHVURJKSA-N 1 0 316.489 4.178 20 30 DIEDRO Cc1ccc([C@H]([NH2+]CCCSCC#N)c2ccccc2)cc1 ZINC000072513384 1054334846 /nfs/dbraw/zinc/33/48/46/1054334846.db2.gz FICKYVIRXXMCSO-LJQANCHMSA-N 1 0 310.466 4.321 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC2CCC(C#N)CC2)cc1 ZINC000849026507 1054345076 /nfs/dbraw/zinc/34/50/76/1054345076.db2.gz GTMKVJNAYIUENH-QQFBHYJXSA-N 1 0 312.461 4.466 20 30 DIEDRO CC[NH+](CC)CC[C@@H](Nc1cccc(CC#N)n1)c1ccccc1 ZINC001340014408 1054354183 /nfs/dbraw/zinc/35/41/83/1054354183.db2.gz BAHBKTNPPBBRDZ-LJQANCHMSA-N 1 0 322.456 4.033 20 30 DIEDRO C=CCOc1ccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)cc1 ZINC000849051192 1054362094 /nfs/dbraw/zinc/36/20/94/1054362094.db2.gz ZQLBEAZMLAPXHP-UHFFFAOYSA-N 1 0 309.413 4.005 20 30 DIEDRO c1ccc(NC(=[NH+]C[C@H]2Cc3ccccc32)N2CCCCC2)cc1 ZINC000849071856 1054374085 /nfs/dbraw/zinc/37/40/85/1054374085.db2.gz KCFZYUDACUTODZ-GOSISDBHSA-N 1 0 319.452 4.280 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCCCC1(C#N)CCC1 ZINC001341104877 1054377791 /nfs/dbraw/zinc/37/77/91/1054377791.db2.gz IUNNLTLEZMBDQX-OAHLLOKOSA-N 1 0 316.493 4.461 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1ccc(CC)cc1)c1ccc(Cl)cc1 ZINC000849084446 1054378849 /nfs/dbraw/zinc/37/88/49/1054378849.db2.gz QXOXEJJUPRUVTP-KRWDZBQOSA-N 1 0 311.816 4.213 20 30 DIEDRO C#C[C@@H](CCC)NC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000849093253 1054380033 /nfs/dbraw/zinc/38/00/33/1054380033.db2.gz UGTGOVJTJLUPPS-HNNXBMFYSA-N 1 0 307.397 4.217 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC001341392971 1054385349 /nfs/dbraw/zinc/38/53/49/1054385349.db2.gz NTCOPVOXSVHLDY-HXUWFJFHSA-N 1 0 322.452 4.025 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC001441408222 1054391133 /nfs/dbraw/zinc/39/11/33/1054391133.db2.gz KTFXEAPKVJBUBA-UHFFFAOYSA-N 1 0 308.381 4.032 20 30 DIEDRO CCCCCCCCCc1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001342546502 1054423629 /nfs/dbraw/zinc/42/36/29/1054423629.db2.gz OLSKOXVHFJLYPZ-INIZCTEOSA-N 1 0 305.466 4.172 20 30 DIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2ncccc2Cl)CC1 ZINC000733901671 1054437673 /nfs/dbraw/zinc/43/76/73/1054437673.db2.gz SPVSQWKFZAGCFJ-BBRMVZONSA-N 1 0 320.868 4.177 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC001343273522 1054440606 /nfs/dbraw/zinc/44/06/06/1054440606.db2.gz QOUYGEYAQNZTNT-CTNGQTDRSA-N 1 0 320.436 4.189 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001444207107 1054469525 /nfs/dbraw/zinc/46/95/25/1054469525.db2.gz HOHUYAKKIMNBOB-RBUKOAKNSA-N 1 0 322.537 4.460 20 30 DIEDRO C=C[C@H](Oc1c(F)cc(C[NH+](C)C)cc1OC)c1ccccc1 ZINC001234240107 1054470047 /nfs/dbraw/zinc/47/00/47/1054470047.db2.gz BXDJWHPVIPRDSZ-KRWDZBQOSA-N 1 0 315.388 4.202 20 30 DIEDRO C=CCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)C(C)(C)C ZINC000622943679 1054484794 /nfs/dbraw/zinc/48/47/94/1054484794.db2.gz MGTBFRJFVPIXAA-UHFFFAOYSA-N 1 0 316.489 4.344 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000174327214 1054504529 /nfs/dbraw/zinc/50/45/29/1054504529.db2.gz IWZHONYZUGNOAL-UHFFFAOYSA-N 1 0 315.461 4.213 20 30 DIEDRO N#Cc1sc(Nc2cccc(C[NH+]3CCCC3)c2)nc1Cl ZINC001346017558 1054525046 /nfs/dbraw/zinc/52/50/46/1054525046.db2.gz HNNFSGMYYMEOJI-UHFFFAOYSA-N 1 0 318.833 4.008 20 30 DIEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001473302498 1054527758 /nfs/dbraw/zinc/52/77/58/1054527758.db2.gz REWQJWVJEKOCFO-CQSZACIVSA-N 1 0 310.363 4.445 20 30 DIEDRO C=CC[N@@H+](C)Cc1cc(OCc2ccccc2)c(OC)cc1C ZINC001234510095 1054539183 /nfs/dbraw/zinc/53/91/83/1054539183.db2.gz QPZJXEFVABIOKA-UHFFFAOYSA-N 1 0 311.425 4.200 20 30 DIEDRO COc1ccc2ccc(O)c(C[N@H+](CCC#N)C3CCCC3)c2c1 ZINC001234552869 1054547575 /nfs/dbraw/zinc/54/75/75/1054547575.db2.gz MNQKMRUSYSSLLJ-UHFFFAOYSA-N 1 0 324.424 4.212 20 30 DIEDRO Cc1ccc2[nH+]ccc(NCc3ccc(OCC#N)cc3)c2c1 ZINC000185621558 1054599330 /nfs/dbraw/zinc/59/93/30/1054599330.db2.gz ZVZHSAFSJMMAID-UHFFFAOYSA-N 1 0 303.365 4.058 20 30 DIEDRO CCOc1cccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)c1 ZINC000073012181 1054614533 /nfs/dbraw/zinc/61/45/33/1054614533.db2.gz JAKJZUSBXIGJTG-GOSISDBHSA-N 1 0 324.424 4.056 20 30 DIEDRO CCOc1ccccc1C[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000073012377 1054614580 /nfs/dbraw/zinc/61/45/80/1054614580.db2.gz OXFPTOHIYRVCHJ-SFHVURJKSA-N 1 0 324.424 4.056 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(F)cc2C)c1 ZINC000073012611 1054615025 /nfs/dbraw/zinc/61/50/25/1054615025.db2.gz ANWCHTWBDMSRNC-GOSISDBHSA-N 1 0 312.388 4.105 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234996884 1054638831 /nfs/dbraw/zinc/63/88/31/1054638831.db2.gz ORISRNQTQCUZTI-INIZCTEOSA-N 1 0 306.409 4.185 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001450491003 1054651162 /nfs/dbraw/zinc/65/11/62/1054651162.db2.gz QVVMTROQNUEOOX-KURKYZTESA-N 1 0 310.526 4.314 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000179645815 1054692824 /nfs/dbraw/zinc/69/28/24/1054692824.db2.gz WOARTISSYZFFFU-KGLIPLIRSA-N 1 0 307.434 4.108 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000179645823 1054692838 /nfs/dbraw/zinc/69/28/38/1054692838.db2.gz WOARTISSYZFFFU-UONOGXRCSA-N 1 0 307.434 4.108 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(Br)c(OCC)c1 ZINC001235447568 1054725954 /nfs/dbraw/zinc/72/59/54/1054725954.db2.gz ATEBTFUAPZPKIB-UHFFFAOYSA-N 1 0 312.251 4.246 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccccc1 ZINC000180050744 1054727826 /nfs/dbraw/zinc/72/78/26/1054727826.db2.gz GYOPNHMQDKJOKG-HNNXBMFYSA-N 1 0 323.362 4.236 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC001473489021 1054730874 /nfs/dbraw/zinc/73/08/74/1054730874.db2.gz VOQRTTMBROUTCM-CQSZACIVSA-N 1 0 317.376 4.199 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180100780 1054733774 /nfs/dbraw/zinc/73/37/74/1054733774.db2.gz GBPVHBCLMTWELS-GOSISDBHSA-N 1 0 304.865 4.031 20 30 DIEDRO CC[N@H+](Cc1ccccc1CC#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC001235511638 1054733956 /nfs/dbraw/zinc/73/39/56/1054733956.db2.gz KEBNOLLPLVBCKU-KRWDZBQOSA-N 1 0 322.452 4.214 20 30 DIEDRO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2CC#N)c1 ZINC001235522197 1054735810 /nfs/dbraw/zinc/73/58/10/1054735810.db2.gz ASMPWGJFUQHXJW-NRFANRHFSA-N 1 0 320.436 4.488 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001235526573 1054738855 /nfs/dbraw/zinc/73/88/55/1054738855.db2.gz DSJGXBXAPSICMD-UHFFFAOYSA-N 1 0 322.427 4.346 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccncc1 ZINC001235619920 1054757924 /nfs/dbraw/zinc/75/79/24/1054757924.db2.gz ZVLZKHZDCNHQLT-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(CC)cn1)[C@H]1CCCc2ccccc21 ZINC001473826114 1054760491 /nfs/dbraw/zinc/76/04/91/1054760491.db2.gz LMVAZAZQOWOAOQ-NRFANRHFSA-N 1 0 304.437 4.157 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCOC[C@H]1CC1CCOCC1 ZINC001473862902 1054762208 /nfs/dbraw/zinc/76/22/08/1054762208.db2.gz OMPBWOHBWSRSST-LJQANCHMSA-N 1 0 311.510 4.255 20 30 DIEDRO COc1cccc(C[N@H+](CCC#N)C2CCCCCCC2)c1N ZINC001235663877 1054763907 /nfs/dbraw/zinc/76/39/07/1054763907.db2.gz MQAGUYNDOZFVAL-UHFFFAOYSA-N 1 0 315.461 4.106 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180952177 1054782485 /nfs/dbraw/zinc/78/24/85/1054782485.db2.gz WIBRCBNVPODBMF-LSDHHAIUSA-N 1 0 321.486 4.018 20 30 DIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2csc(C#N)c2)cc1 ZINC001474123097 1054786442 /nfs/dbraw/zinc/78/64/42/1054786442.db2.gz GYGXIZSMLMZUQR-UHFFFAOYSA-N 1 0 314.454 4.433 20 30 DIEDRO Cc1nc2cc(CN3CCc4ccc(C#N)cc4C3)ccc2s1 ZINC001235849248 1054823797 /nfs/dbraw/zinc/82/37/97/1054823797.db2.gz BTWHSNIEMDNNQE-UHFFFAOYSA-N 1 0 319.433 4.035 20 30 DIEDRO Cc1nc2cc(CN3CCc4cc(C#N)ccc4C3)ccc2s1 ZINC001235850870 1054823836 /nfs/dbraw/zinc/82/38/36/1054823836.db2.gz QOBGYKYIIFSPCQ-UHFFFAOYSA-N 1 0 319.433 4.035 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(F)c(C#N)c2)nc1 ZINC001235894565 1054832842 /nfs/dbraw/zinc/83/28/42/1054832842.db2.gz YQAJKJRNKLEMKV-IBGZPJMESA-N 1 0 309.388 4.306 20 30 DIEDRO N#CCC1(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000849097257 1054835037 /nfs/dbraw/zinc/83/50/37/1054835037.db2.gz KGJDZGIHVDZTON-UHFFFAOYSA-N 1 0 320.396 4.109 20 30 DIEDRO C=CCCCCCCCCN1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001235900726 1054840015 /nfs/dbraw/zinc/84/00/15/1054840015.db2.gz RFMPRQATJFAUAS-CABCVRRESA-N 1 0 306.416 4.115 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C#N)c(F)c2)cc1 ZINC000849116127 1054841231 /nfs/dbraw/zinc/84/12/31/1054841231.db2.gz FZVJFSCJPGXSKD-ZDUSSCGKSA-N 1 0 324.403 4.347 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)CC(=O)Nc1ccccc1CC ZINC000624038150 1054863893 /nfs/dbraw/zinc/86/38/93/1054863893.db2.gz SYUJSESVCVAEPX-OAHLLOKOSA-N 1 0 302.462 4.158 20 30 DIEDRO C=CC[NH2+]CCN(C)Cc1c2ccccc2cc2ccccc21 ZINC001235963917 1054874155 /nfs/dbraw/zinc/87/41/55/1054874155.db2.gz VWJVMYKUHYPQIX-UHFFFAOYSA-N 1 0 304.437 4.200 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH+]3CCCCC3)c2F)c(C#N)c1 ZINC001236015309 1054896305 /nfs/dbraw/zinc/89/63/05/1054896305.db2.gz OTDBZYPHVAUKCP-UHFFFAOYSA-N 1 0 319.383 4.222 20 30 DIEDRO N#CCSCCC[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000181022228 1054899929 /nfs/dbraw/zinc/89/99/29/1054899929.db2.gz KJQMQTMNHHGLKW-KRWDZBQOSA-N 1 0 306.450 4.293 20 30 DIEDRO Cc1nccc(-c2cccc(C[NH+]3CCCCC3)c2F)c1C#N ZINC001236022381 1054900455 /nfs/dbraw/zinc/90/04/55/1054900455.db2.gz YCHIJAZJYNOPOS-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)cc1 ZINC001236194326 1054992993 /nfs/dbraw/zinc/99/29/93/1054992993.db2.gz VOBQLJDNPHKDGN-FQEVSTJZSA-N 1 0 301.393 4.377 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC001236194327 1054993689 /nfs/dbraw/zinc/99/36/89/1054993689.db2.gz VOBQLJDNPHKDGN-HXUWFJFHSA-N 1 0 301.393 4.377 20 30 DIEDRO C#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)c1 ZINC001236195146 1054993912 /nfs/dbraw/zinc/99/39/12/1054993912.db2.gz YGBYVHCEXVEKQK-OAQYLSRUSA-N 1 0 300.405 4.486 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000183743855 1055055853 /nfs/dbraw/zinc/05/58/53/1055055853.db2.gz GVXVEOZBKWSOHI-BBRMVZONSA-N 1 0 316.470 4.096 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nc(C)cs1 ZINC000184435517 1055075267 /nfs/dbraw/zinc/07/52/67/1055075267.db2.gz XCRZBFTYCPBQHC-MRXNPFEDSA-N 1 0 313.470 4.494 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1Cl ZINC000112525768 1055106705 /nfs/dbraw/zinc/10/67/05/1055106705.db2.gz KVNCFPQHICUFRU-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO Cc1cc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncc1C#N ZINC001236469256 1055129292 /nfs/dbraw/zinc/12/92/92/1055129292.db2.gz HXFYUJJNKXWKOV-UXHICEINSA-N 1 0 315.420 4.082 20 30 DIEDRO C=CCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001536566503 1055129697 /nfs/dbraw/zinc/12/96/97/1055129697.db2.gz WKASWOMTGPZVRS-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO CC#CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000741774562 1055137355 /nfs/dbraw/zinc/13/73/55/1055137355.db2.gz XCMQUBUYHBAJRD-UHFFFAOYSA-N 1 0 321.449 4.056 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(Br)s1 ZINC000381381887 1055163612 /nfs/dbraw/zinc/16/36/12/1055163612.db2.gz LOHSWEFDVLWHMI-VIFPVBQESA-N 1 0 301.253 4.101 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(C#N)cc2F)c1 ZINC001236533110 1055164848 /nfs/dbraw/zinc/16/48/48/1055164848.db2.gz RFXLWBFESRATGM-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)cc1 ZINC000764548679 1055207922 /nfs/dbraw/zinc/20/79/22/1055207922.db2.gz USYKLAVWYJYTAK-ZIAGYGMSSA-N 1 0 315.363 4.389 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCOC(C)C)cc1 ZINC000764571844 1055212117 /nfs/dbraw/zinc/21/21/17/1055212117.db2.gz KWJPZCJUCAQDFK-HNNXBMFYSA-N 1 0 311.853 4.284 20 30 DIEDRO COc1ccc2sc(C[N@H+](C)Cc3ccc(C#N)cc3)cc2c1 ZINC001236664980 1055221159 /nfs/dbraw/zinc/22/11/59/1055221159.db2.gz XFHQBBUQXPQBLB-UHFFFAOYSA-N 1 0 322.433 4.414 20 30 DIEDRO CCCCCCCCCC[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC001620835357 1055223065 /nfs/dbraw/zinc/22/30/65/1055223065.db2.gz FMHMUJNLOJJDHX-IAGOWNOFSA-N 1 0 315.473 4.350 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC001168533269 1055239872 /nfs/dbraw/zinc/23/98/72/1055239872.db2.gz YBCXJIJJOYNNTD-HXUWFJFHSA-N 1 0 322.452 4.283 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2cc1O ZINC001236842562 1055288113 /nfs/dbraw/zinc/28/81/13/1055288113.db2.gz XQHDCSDYBOBGAZ-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236862800 1055296017 /nfs/dbraw/zinc/29/60/17/1055296017.db2.gz YUMOFVVGKFREML-CQSZACIVSA-N 1 0 307.235 4.085 20 30 DIEDRO CCCC[N@H+](CCC)Cc1ccc(C#N)c(Br)c1 ZINC001236863365 1055296480 /nfs/dbraw/zinc/29/64/80/1055296480.db2.gz IZLYFKKJQBOIER-UHFFFAOYSA-N 1 0 309.251 4.333 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(C#N)c(Br)c1 ZINC001236867176 1055299859 /nfs/dbraw/zinc/29/98/59/1055299859.db2.gz ZMHZHFOTAQITLE-UHFFFAOYSA-N 1 0 307.235 4.109 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Cl)ccc1OC ZINC000765008532 1055313854 /nfs/dbraw/zinc/31/38/54/1055313854.db2.gz FJXIDKWBSDBNCV-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(-c2ccncc2)c1 ZINC000765015133 1055317172 /nfs/dbraw/zinc/31/71/72/1055317172.db2.gz PSMKLVDBCSMEFS-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(N2CCCCC2)cc1 ZINC000765015918 1055318797 /nfs/dbraw/zinc/31/87/97/1055318797.db2.gz RZLCQNXKXXEVGG-KRWDZBQOSA-N 1 0 319.452 4.399 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236989225 1055325531 /nfs/dbraw/zinc/32/55/31/1055325531.db2.gz BMFBAXVENBPHEX-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO SC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)nc2)CC1 ZINC001237008881 1055337398 /nfs/dbraw/zinc/33/73/98/1055337398.db2.gz MPLDIKLKBIJXNF-UHFFFAOYSA-N 1 0 318.873 4.296 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2OC(C)C)cc1 ZINC000765252769 1055344909 /nfs/dbraw/zinc/34/49/09/1055344909.db2.gz CLBJDDPPKQNXOL-KRWDZBQOSA-N 1 0 323.436 4.337 20 30 DIEDRO CCCCCCC[C@@H](C)C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000765256413 1055349082 /nfs/dbraw/zinc/34/90/82/1055349082.db2.gz WYFKMUOBHNZBDV-QGZVFWFLSA-N 1 0 318.509 4.032 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OC(C)(C)C)c1 ZINC001237106426 1055371003 /nfs/dbraw/zinc/37/10/03/1055371003.db2.gz QQITYRXJZJBURQ-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000765349548 1055371089 /nfs/dbraw/zinc/37/10/89/1055371089.db2.gz NIAPWLHTGSQJMD-INIZCTEOSA-N 1 0 316.404 4.098 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C3CCC3)cc1)CC2 ZINC001237105685 1055371469 /nfs/dbraw/zinc/37/14/69/1055371469.db2.gz VZXLCMJMBRYBCG-UHFFFAOYSA-N 1 0 302.421 4.384 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc2c(Cl)cccc12 ZINC001237152127 1055386372 /nfs/dbraw/zinc/38/63/72/1055386372.db2.gz KHLFFCLBVFABRR-XMQYKBBCSA-N 1 0 311.816 4.155 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2nccc(Cl)c2c1 ZINC001237270291 1055412999 /nfs/dbraw/zinc/41/29/99/1055412999.db2.gz QCVUPQWVINSHCC-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc2c(COC(=O)CC(C)C)cocc1-2 ZINC001237285207 1055414901 /nfs/dbraw/zinc/41/49/01/1055414901.db2.gz KJRFOEFKBAIAFF-UHFFFAOYSA-N 1 0 315.413 4.092 20 30 DIEDRO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001237294146 1055418579 /nfs/dbraw/zinc/41/85/79/1055418579.db2.gz GRQWTIDDGQEFAD-NRFANRHFSA-N 1 0 304.437 4.207 20 30 DIEDRO CCCN(CCC#N)Cc1cc(OC)ccc1-c1ccccc1 ZINC001237307184 1055424628 /nfs/dbraw/zinc/42/46/28/1055424628.db2.gz MYCAWSVNHZEVOL-UHFFFAOYSA-N 1 0 308.425 4.488 20 30 DIEDRO CCCCCCCC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001537815772 1055447875 /nfs/dbraw/zinc/44/78/75/1055447875.db2.gz XVHMBXPJJVUFNY-QFBILLFUSA-N 1 0 304.478 4.155 20 30 DIEDRO Cn1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c2cc(C#N)ccc21 ZINC001237465346 1055456121 /nfs/dbraw/zinc/45/61/21/1055456121.db2.gz IDJOPLWTZIUSPY-SFHVURJKSA-N 1 0 315.420 4.039 20 30 DIEDRO Cn1cc(CN2Cc3cccc(Cl)c3C2)c2cc(C#N)ccc21 ZINC001237473483 1055457785 /nfs/dbraw/zinc/45/77/85/1055457785.db2.gz LEPIFPTVFHXKMR-UHFFFAOYSA-N 1 0 321.811 4.219 20 30 DIEDRO Cn1cc(C[N@H+](Cc2ccccc2)C2CC2)c2cc(C#N)ccc21 ZINC001237473818 1055458084 /nfs/dbraw/zinc/45/80/84/1055458084.db2.gz VSUUGKHGRWIFOP-UHFFFAOYSA-N 1 0 315.420 4.215 20 30 DIEDRO CCc1ccc(C[N@H+](C)Cc2cn(C)c3ccc(C#N)cc23)cc1 ZINC001237473540 1055458985 /nfs/dbraw/zinc/45/89/85/1055458985.db2.gz NDIZFSKJZQLHHX-UHFFFAOYSA-N 1 0 317.436 4.244 20 30 DIEDRO Cn1cc(C[N@@H+]2CCCC3(CCCC3)C2)c2cc(C#N)ccc21 ZINC001237469457 1055459645 /nfs/dbraw/zinc/45/96/45/1055459645.db2.gz VKNPTLBRXDDCBR-UHFFFAOYSA-N 1 0 307.441 4.206 20 30 DIEDRO N#Cc1cc(CN2CCC[C@H]2c2cccs2)c(F)cc1F ZINC001237527662 1055467779 /nfs/dbraw/zinc/46/77/79/1055467779.db2.gz WOJZWELCKNNJPQ-HNNXBMFYSA-N 1 0 304.365 4.235 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cccc(Br)c1OC ZINC001620875552 1055502774 /nfs/dbraw/zinc/50/27/74/1055502774.db2.gz JPOSRGHCHMGHGX-GFCCVEGCSA-N 1 0 312.251 4.292 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001237752458 1055522147 /nfs/dbraw/zinc/52/21/47/1055522147.db2.gz WDSOJFWKZKXWDE-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO CCc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001237749688 1055522273 /nfs/dbraw/zinc/52/22/73/1055522273.db2.gz MJHPVVCVBVMBDK-ZDUSSCGKSA-N 1 0 321.262 4.137 20 30 DIEDRO C=C[C@@H](COC)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001620909455 1055533062 /nfs/dbraw/zinc/53/30/62/1055533062.db2.gz LJVALWJVWBVVIC-INIZCTEOSA-N 1 0 319.489 4.278 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC001620916911 1055539306 /nfs/dbraw/zinc/53/93/06/1055539306.db2.gz JTMLFKXXPOAUJL-PXNSSMCTSA-N 1 0 311.425 4.326 20 30 DIEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001620917869 1055540195 /nfs/dbraw/zinc/54/01/95/1055540195.db2.gz VSWLBWQYEAYRSD-INIZCTEOSA-N 1 0 319.489 4.014 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCC2(C)C)cc1OC ZINC001620932167 1055546655 /nfs/dbraw/zinc/54/66/55/1055546655.db2.gz AIKFKLFEAXXBBX-HNNXBMFYSA-N 1 0 309.837 4.192 20 30 DIEDRO CCCCN(CCC#N)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237882352 1055547304 /nfs/dbraw/zinc/54/73/04/1055547304.db2.gz PEGHQHFNKLCVFX-UHFFFAOYSA-N 1 0 311.473 4.204 20 30 DIEDRO C=CC[N@@H+](Cc1[nH]c(-c2ccc[nH]2)cc1OC)C1CCCCC1 ZINC001237880287 1055549061 /nfs/dbraw/zinc/54/90/61/1055549061.db2.gz NVVNPSNHFBBINB-UHFFFAOYSA-N 1 0 313.445 4.339 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2c3ccccc3oc2CC)cc1 ZINC001620942188 1055554972 /nfs/dbraw/zinc/55/49/72/1055554972.db2.gz WWFGGZRBZRRCSZ-UHFFFAOYSA-N 1 0 319.404 4.297 20 30 DIEDRO N#C[C@@H]1CCC[N@H+](Cc2ccc(COc3ccccc3)cc2)CC1 ZINC001237919016 1055557653 /nfs/dbraw/zinc/55/76/53/1055557653.db2.gz ARJHFHNJQDBKDS-GOSISDBHSA-N 1 0 320.436 4.391 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(COc3ccccc3)cc2)CC1 ZINC001237927649 1055561643 /nfs/dbraw/zinc/56/16/43/1055561643.db2.gz PQEINTSNOYMDLX-UHFFFAOYSA-N 1 0 306.409 4.001 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001620950117 1055565053 /nfs/dbraw/zinc/56/50/53/1055565053.db2.gz QEIRYAAVGHTFNL-UHFFFAOYSA-N 1 0 301.352 4.320 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCCOC1CCCCC1 ZINC000387332217 1055565184 /nfs/dbraw/zinc/56/51/84/1055565184.db2.gz AOJUZQKNSYLJAO-UHFFFAOYSA-N 1 0 303.446 4.080 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC001620949881 1055565458 /nfs/dbraw/zinc/56/54/58/1055565458.db2.gz GYMSEGQTLDJJRH-UHFFFAOYSA-N 1 0 317.864 4.432 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001168553785 1055573063 /nfs/dbraw/zinc/57/30/63/1055573063.db2.gz XAMKXBWBACDGMP-SCVCMEIPSA-N 1 0 314.763 4.284 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(-c2ccccc2OC)no1 ZINC000658357649 1055575985 /nfs/dbraw/zinc/57/59/85/1055575985.db2.gz QPEKDRGXXLFHSW-KBPBESRZSA-N 1 0 300.402 4.041 20 30 DIEDRO C=CCc1cc(C[NH2+][C@]2(C)CCCC[C@@H]2C)cc(OC)c1O ZINC001620959579 1055589906 /nfs/dbraw/zinc/58/99/06/1055589906.db2.gz DQMJCJGWLGRHRE-IFXJQAMLSA-N 1 0 303.446 4.188 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@]2(C)CCCC[C@H]2C)cc1OC ZINC001620959534 1055590413 /nfs/dbraw/zinc/59/04/13/1055590413.db2.gz BVXNQLQHTISSLO-BEFAXECRSA-N 1 0 303.446 4.318 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1)Cc1ccc(Cl)c(C#N)c1 ZINC001238198045 1055617164 /nfs/dbraw/zinc/61/71/64/1055617164.db2.gz FHUSDBOFTUKKOG-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238191537 1055617639 /nfs/dbraw/zinc/61/76/39/1055617639.db2.gz NEMKEBOJDHBPMP-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO C[N@H+](CCc1cccc(F)c1)Cc1ccc(Cl)c(C#N)c1 ZINC001238199406 1055618311 /nfs/dbraw/zinc/61/83/11/1055618311.db2.gz SQKSUACEAJBLMI-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)ccc1Cl ZINC001238195059 1055618826 /nfs/dbraw/zinc/61/88/26/1055618826.db2.gz ZMGYVUFRJHENAO-KRWDZBQOSA-N 1 0 310.828 4.276 20 30 DIEDRO C=CCCC[N@@H+](C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000076734531 1055619010 /nfs/dbraw/zinc/61/90/10/1055619010.db2.gz VVHLTCJGTSFCMV-UHFFFAOYSA-N 1 0 317.408 4.015 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(F)c2OCc2ccccc2)CC1 ZINC001238336509 1055640107 /nfs/dbraw/zinc/64/01/07/1055640107.db2.gz IRRMDWYNAYGSCS-UHFFFAOYSA-N 1 0 323.411 4.250 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OCc2ccccc2)C1 ZINC001238338083 1055641121 /nfs/dbraw/zinc/64/11/21/1055641121.db2.gz NRFWPGQAFDLRBN-QGZVFWFLSA-N 1 0 323.411 4.250 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)ccc1C#N ZINC001238412251 1055653386 /nfs/dbraw/zinc/65/33/86/1055653386.db2.gz BOJSJFCOFKYTEX-IBGZPJMESA-N 1 0 320.436 4.337 20 30 DIEDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(C#N)c(OC)c1 ZINC001238412219 1055654037 /nfs/dbraw/zinc/65/40/37/1055654037.db2.gz APKIZVKDXOFWIL-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921621513 1055662790 /nfs/dbraw/zinc/66/27/90/1055662790.db2.gz OHTYIVMWTVSCOS-ZDUSSCGKSA-N 1 0 300.427 4.259 20 30 DIEDRO CC(C)Oc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1F ZINC001238464011 1055664679 /nfs/dbraw/zinc/66/46/79/1055664679.db2.gz KFONLEGXIAXMJK-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO CCCCOc1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC001238489690 1055670769 /nfs/dbraw/zinc/67/07/69/1055670769.db2.gz RPNJLAYSZNXPJL-UHFFFAOYSA-N 1 0 323.440 4.073 20 30 DIEDRO Cc1ccc(OC(C)C)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001238487224 1055671901 /nfs/dbraw/zinc/67/19/01/1055671901.db2.gz YEPJYZUBJWLZAH-UHFFFAOYSA-N 1 0 308.425 4.286 20 30 DIEDRO SC1CC[NH+](Cc2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC001238685071 1055721378 /nfs/dbraw/zinc/72/13/78/1055721378.db2.gz KKHCKHYNKGEQLP-UHFFFAOYSA-N 1 0 318.873 4.296 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001538854005 1055735974 /nfs/dbraw/zinc/73/59/74/1055735974.db2.gz YQWBTGHFNGLXMP-RCCFBDPRSA-N 1 0 310.526 4.172 20 30 DIEDRO CCCCCCCCc1ccc(C[N@@H+]2CC[C@H](CO)C2)s1 ZINC001238730053 1055738350 /nfs/dbraw/zinc/73/83/50/1055738350.db2.gz RMNJKMZHGLXIQA-INIZCTEOSA-N 1 0 309.519 4.465 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc(C)c1OC(C)C ZINC001238751654 1055740696 /nfs/dbraw/zinc/74/06/96/1055740696.db2.gz IUVFUTVSTXOEID-QGZVFWFLSA-N 1 0 300.446 4.216 20 30 DIEDRO CCc1cc(C[NH+]2CCC(c3cccc(O)c3)CC2)ccc1C#N ZINC001238770217 1055744040 /nfs/dbraw/zinc/74/40/40/1055744040.db2.gz ZFQGBTCQHXIYJG-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC001238777407 1055748055 /nfs/dbraw/zinc/74/80/55/1055748055.db2.gz DWAXKXFYRQQRJM-IBGZPJMESA-N 1 0 308.400 4.249 20 30 DIEDRO CCC(CC)[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC001168578821 1055754216 /nfs/dbraw/zinc/75/42/16/1055754216.db2.gz FMIAWGWURRTWQY-RTWAWAEBSA-N 1 0 322.452 4.359 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001566282127 1055758176 /nfs/dbraw/zinc/75/81/76/1055758176.db2.gz JFXPDBYKNRKYSI-RTBURBONSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001566295978 1055759839 /nfs/dbraw/zinc/75/98/39/1055759839.db2.gz YYQZBNGZWGETTD-ZWKOTPCHSA-N 1 0 308.510 4.260 20 30 DIEDRO CC(C)([NH3+])c1ccccc1-c1ccc(C(F)(F)F)cc1C#N ZINC001238844271 1055765774 /nfs/dbraw/zinc/76/57/74/1055765774.db2.gz BBAATQBBRAKELW-UHFFFAOYSA-N 1 0 304.315 4.438 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cc3cccc(OC)c3o2)c1 ZINC001649054707 1055775410 /nfs/dbraw/zinc/77/54/10/1055775410.db2.gz GEOOGKHNZLXIHO-UHFFFAOYSA-N 1 0 323.392 4.296 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001566474471 1055775558 /nfs/dbraw/zinc/77/55/58/1055775558.db2.gz BRTYJHAEXOTFHO-QUQQQVAWSA-N 1 0 308.510 4.234 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001597033629 1055778608 /nfs/dbraw/zinc/77/86/08/1055778608.db2.gz XBBLLPRKEFMVII-OKYOBFRVSA-N 1 0 322.537 4.220 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001597033627 1055778942 /nfs/dbraw/zinc/77/89/42/1055778942.db2.gz XBBLLPRKEFMVII-MANSERQUSA-N 1 0 322.537 4.220 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC001566734390 1055779546 /nfs/dbraw/zinc/77/95/46/1055779546.db2.gz RWEXJFCWGVMMCU-QGZVFWFLSA-N 1 0 310.526 4.221 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001597032959 1055779577 /nfs/dbraw/zinc/77/95/77/1055779577.db2.gz UMODBXBXVRCWCR-ZWKOTPCHSA-N 1 0 310.526 4.364 20 30 DIEDRO C=C(CC(C)C)C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC001566731566 1055780365 /nfs/dbraw/zinc/78/03/65/1055780365.db2.gz WWERQSKQCLAMAE-UHFFFAOYSA-N 1 0 300.446 4.199 20 30 DIEDRO CCCCCCCCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC001597081441 1055783376 /nfs/dbraw/zinc/78/33/76/1055783376.db2.gz LIIHKOZINZTCMW-UHFFFAOYSA-N 1 0 310.526 4.317 20 30 DIEDRO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1C1=CCC[NH2+]CC1 ZINC001238946249 1055798327 /nfs/dbraw/zinc/79/83/27/1055798327.db2.gz GSIBDHZRNMAZIP-UHFFFAOYSA-N 1 0 313.216 4.029 20 30 DIEDRO CCCCCCCCC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001597340525 1055816135 /nfs/dbraw/zinc/81/61/35/1055816135.db2.gz HHYBXWSAVVPWQP-OKZBNKHCSA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)Nc1cccc(CC[NH3+])c1 ZINC001239189827 1055844210 /nfs/dbraw/zinc/84/42/10/1055844210.db2.gz YIHISFPSFJVSBJ-HNNXBMFYSA-N 1 0 305.466 4.058 20 30 DIEDRO C=CCCCCCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001568784673 1055846340 /nfs/dbraw/zinc/84/63/40/1055846340.db2.gz CAZJPRHPIVYKRB-UHFFFAOYSA-N 1 0 314.473 4.149 20 30 DIEDRO CCCCCCCCNC(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001239257274 1055854277 /nfs/dbraw/zinc/85/42/77/1055854277.db2.gz JMKOAFDATLQDOQ-QGZVFWFLSA-N 1 0 323.525 4.101 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001239274473 1055857311 /nfs/dbraw/zinc/85/73/11/1055857311.db2.gz XAUYIVKFJONQNH-PKOBYXMFSA-N 1 0 323.525 4.053 20 30 DIEDRO N#Cc1ccc(/C=C/c2ccc(C[NH+]3CCCCC3)cn2)cc1 ZINC001239304361 1055862562 /nfs/dbraw/zinc/86/25/62/1055862562.db2.gz POFNCRVFAXWPES-CSKARUKUSA-N 1 0 303.409 4.110 20 30 DIEDRO CCCCCCCCCOC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001239311789 1055864453 /nfs/dbraw/zinc/86/44/53/1055864453.db2.gz WDHMVRUDFYZUOO-UHFFFAOYSA-N 1 0 319.449 4.026 20 30 DIEDRO CCCCCCCCOC(=O)Nc1cc([C@@H]2CCCC[NH2+]2)no1 ZINC001239312363 1055865006 /nfs/dbraw/zinc/86/50/06/1055865006.db2.gz RLTRNPMETIJMSF-AWEZNQCLSA-N 1 0 323.437 4.398 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC001569545724 1055865300 /nfs/dbraw/zinc/86/53/00/1055865300.db2.gz SIOBVHYSKVHSQS-JKGDOXCYSA-N 1 0 308.510 4.236 20 30 DIEDRO CCCCCCCCOC(=O)Nc1ccc2c(c1)C[C@@H]([NH3+])C2 ZINC001239313745 1055866156 /nfs/dbraw/zinc/86/61/56/1055866156.db2.gz WLDDNJNCTPGEQP-INIZCTEOSA-N 1 0 304.434 4.022 20 30 DIEDRO CCCCCCCCOC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC001239312895 1055866928 /nfs/dbraw/zinc/86/69/28/1055866928.db2.gz ISPRTNYPSWAGMJ-UHFFFAOYSA-N 1 0 304.434 4.241 20 30 DIEDRO CCCCCCCCCCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001239334008 1055874206 /nfs/dbraw/zinc/87/42/06/1055874206.db2.gz MUMSVACXBSYHRA-BJWYYQGGSA-N 1 0 310.482 4.218 20 30 DIEDRO C=CCCCCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001569982819 1055881496 /nfs/dbraw/zinc/88/14/96/1055881496.db2.gz FCOHRXFQVITURQ-ROUUACIJSA-N 1 0 306.494 4.036 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC001620782811 1055952502 /nfs/dbraw/zinc/95/25/02/1055952502.db2.gz IFFHGJAXWKBVDC-ZYHUDNBSSA-N 1 0 300.265 4.345 20 30 DIEDRO C[C@@H]1CC(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@@H](C)C1 ZINC001620999223 1055967234 /nfs/dbraw/zinc/96/72/34/1055967234.db2.gz IBMKTSXJEBGXSB-IRXDYDNUSA-N 1 0 313.489 4.198 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC001620998283 1055967677 /nfs/dbraw/zinc/96/76/77/1055967677.db2.gz RZDAKYDSBAHYQC-UHFFFAOYSA-N 1 0 323.355 4.123 20 30 DIEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001620564259 1055968238 /nfs/dbraw/zinc/96/82/38/1055968238.db2.gz FDWZOPORRHKWKG-CQSZACIVSA-N 1 0 301.792 4.490 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC001620573670 1055969485 /nfs/dbraw/zinc/96/94/85/1055969485.db2.gz SFXJFLPAEGICIR-GIZXNFQBSA-N 1 0 318.258 4.198 20 30 DIEDRO C=CCCC1(C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CCCC1 ZINC001621004155 1055971644 /nfs/dbraw/zinc/97/16/44/1055971644.db2.gz LIUPMMWDBJQWSO-IXDOHACOSA-N 1 0 307.478 4.080 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC001621004309 1055972969 /nfs/dbraw/zinc/97/29/69/1055972969.db2.gz SDOOJGJOVUCDLI-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+]C(C1CCCC1)C1CCCC1 ZINC001620602290 1055973300 /nfs/dbraw/zinc/97/33/00/1055973300.db2.gz ASEJLIHSGCDYBP-UHFFFAOYSA-N 1 0 312.457 4.276 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)OCCO3)cc1 ZINC001239606216 1055974081 /nfs/dbraw/zinc/97/40/81/1055974081.db2.gz VHUNXLICWJFNCN-LJQANCHMSA-N 1 0 321.420 4.448 20 30 DIEDRO C=CCOCCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC001621007663 1055975238 /nfs/dbraw/zinc/97/52/38/1055975238.db2.gz IWOBJQIUYLEANL-UHFFFAOYSA-N 1 0 305.805 4.282 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)C1 ZINC001621010242 1055976251 /nfs/dbraw/zinc/97/62/51/1055976251.db2.gz FFIDZHGINFSRDN-LTIDMASMSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCOCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001621017009 1055983248 /nfs/dbraw/zinc/98/32/48/1055983248.db2.gz FVTTWVMCLRZQOT-UHFFFAOYSA-N 1 0 301.817 4.299 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001620705813 1055983140 /nfs/dbraw/zinc/98/31/40/1055983140.db2.gz ZLZSLRSLXGFGDS-HIFRSBDPSA-N 1 0 313.363 4.462 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC001620742720 1055990231 /nfs/dbraw/zinc/99/02/31/1055990231.db2.gz UKPDBZHBWVKTIM-NVXWUHKLSA-N 1 0 313.420 4.154 20 30 DIEDRO CC[C@@](C)([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(F)cc1 ZINC001621030195 1055993559 /nfs/dbraw/zinc/99/35/59/1055993559.db2.gz XTKJRDFSEHYANY-LJQANCHMSA-N 1 0 312.388 4.121 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccncc1 ZINC001620800056 1055994895 /nfs/dbraw/zinc/99/48/95/1055994895.db2.gz WLOYQIZBUOSYIW-MRXNPFEDSA-N 1 0 322.330 4.387 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cc(C)c2ncccc2c1)c1ccncc1 ZINC001620800140 1055995247 /nfs/dbraw/zinc/99/52/47/1055995247.db2.gz YSINRKQBOYNWNO-LJQANCHMSA-N 1 0 303.409 4.345 20 30 DIEDRO Cc1cc(C[NH2+]CCOc2ccccc2C(C)C)ccc1C#N ZINC001620800798 1055996100 /nfs/dbraw/zinc/99/61/00/1055996100.db2.gz GNMJKNIIGSEHNS-UHFFFAOYSA-N 1 0 308.425 4.159 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1ccco1 ZINC000671761899 1055997033 /nfs/dbraw/zinc/99/70/33/1055997033.db2.gz DLZBQSKPWAJPAU-CVEARBPZSA-N 1 0 301.434 4.050 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC001621061714 1056016262 /nfs/dbraw/zinc/01/62/62/1056016262.db2.gz YQDQACHQZLVPFR-UHFFFAOYSA-N 1 0 309.457 4.232 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC001621061217 1056016692 /nfs/dbraw/zinc/01/66/92/1056016692.db2.gz DPTFFLZSLVAITI-UHFFFAOYSA-N 1 0 302.368 4.349 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC001583169859 1056031384 /nfs/dbraw/zinc/03/13/84/1056031384.db2.gz KMZWYESWDKEQDT-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NC2CCC(OC)CC2)cc1 ZINC001168610329 1056066229 /nfs/dbraw/zinc/06/62/29/1056066229.db2.gz CBYAQIVDLHOBLX-MHJFOBGBSA-N 1 0 314.473 4.379 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC001610276669 1056072921 /nfs/dbraw/zinc/07/29/21/1056072921.db2.gz FCAKEWOQWBDUCG-MSOLQXFVSA-N 1 0 310.526 4.362 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CCC2CC2)ccc1OC ZINC000186404753 1056154393 /nfs/dbraw/zinc/15/43/93/1056154393.db2.gz WBKBAJWGMJCUDG-PBHICJAKSA-N 1 0 316.445 4.044 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001621132800 1056188510 /nfs/dbraw/zinc/18/85/10/1056188510.db2.gz FHTWSIZGOCTCNV-HZPDHXFCSA-N 1 0 306.475 4.035 20 30 DIEDRO C=CCC1(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCCCC1 ZINC001543422068 1056216769 /nfs/dbraw/zinc/21/67/69/1056216769.db2.gz ZRMOSEXBORXXQY-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cs1 ZINC000921685125 1056266221 /nfs/dbraw/zinc/26/62/21/1056266221.db2.gz UHYAEIQILYKHSM-QGZVFWFLSA-N 1 0 300.402 4.390 20 30 DIEDRO N#Cc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)c2cc[nH]c21 ZINC001240057920 1056292132 /nfs/dbraw/zinc/29/21/32/1056292132.db2.gz CDSFCRQVOJASNO-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO N#CCCOc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC001240058708 1056292336 /nfs/dbraw/zinc/29/23/36/1056292336.db2.gz LQKKDWMTSSUNLY-UHFFFAOYSA-N 1 0 306.409 4.242 20 30 DIEDRO N#Cc1ccc2cc(-c3ccc(C[NH+]4CCCC4)cc3)ccc2n1 ZINC001240060176 1056295617 /nfs/dbraw/zinc/29/56/17/1056295617.db2.gz DXEWUEBHJJUTTE-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO N#Cc1cc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)cs1 ZINC000921692692 1056321094 /nfs/dbraw/zinc/32/10/94/1056321094.db2.gz ZPYFKXNZKHREBR-UHFFFAOYSA-N 1 0 312.438 4.231 20 30 DIEDRO C[C@H]1C[C@H](Nc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000301545483 1056334239 /nfs/dbraw/zinc/33/42/39/1056334239.db2.gz OSKFTLOOMHQMRZ-MAUKXSAKSA-N 1 0 323.415 4.162 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)cc1F ZINC000301594532 1056335532 /nfs/dbraw/zinc/33/55/32/1056335532.db2.gz RNGBFUWLGOFLDT-HNAYVOBHSA-N 1 0 323.415 4.020 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)N1CCCn2c(cc3ccccc32)C1 ZINC000553980910 1056335829 /nfs/dbraw/zinc/33/58/29/1056335829.db2.gz PVXIGTROHBVVBA-INIZCTEOSA-N 1 0 315.420 4.480 20 30 DIEDRO N#Cc1cc(C#N)cc(-c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001240174015 1056361205 /nfs/dbraw/zinc/36/12/05/1056361205.db2.gz JNHFRYIUTFPAKC-UHFFFAOYSA-N 1 0 301.393 4.083 20 30 DIEDRO Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)ccc1CC#N ZINC001240169450 1056361736 /nfs/dbraw/zinc/36/17/36/1056361736.db2.gz XFFNYBHNRPJRLV-UHFFFAOYSA-N 1 0 305.425 4.109 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3nccn3c2)cc1 ZINC001240220510 1056377980 /nfs/dbraw/zinc/37/79/80/1056377980.db2.gz GXUJVYUEVMWDKC-IBGZPJMESA-N 1 0 303.409 4.324 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000765908521 1056380852 /nfs/dbraw/zinc/38/08/52/1056380852.db2.gz OQGLRHOPECXNFX-LJQANCHMSA-N 1 0 323.436 4.427 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1F ZINC000404675226 1056409849 /nfs/dbraw/zinc/40/98/49/1056409849.db2.gz FXCBXVGOJYBKIO-LJQANCHMSA-N 1 0 319.383 4.346 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000404696957 1056411920 /nfs/dbraw/zinc/41/19/20/1056411920.db2.gz WLWOYKWZLBMGFU-AWEZNQCLSA-N 1 0 308.400 4.427 20 30 DIEDRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C#N)c(F)c3)oc21 ZINC000404695155 1056412233 /nfs/dbraw/zinc/41/22/33/1056412233.db2.gz VMIMGTCPYALFCM-LBPRGKRZSA-N 1 0 324.355 4.303 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001544358120 1056413329 /nfs/dbraw/zinc/41/33/29/1056413329.db2.gz VABNCLLGTPLMSJ-RTBURBONSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC001584797470 1056417534 /nfs/dbraw/zinc/41/75/34/1056417534.db2.gz IQBYCKXTFRKYRZ-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001584897671 1056438391 /nfs/dbraw/zinc/43/83/91/1056438391.db2.gz SVCKOXYYXKQBMS-NKAIQICCSA-N 1 0 308.510 4.236 20 30 DIEDRO Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc(C)c1OC(C)C ZINC001240350777 1056442086 /nfs/dbraw/zinc/44/20/86/1056442086.db2.gz JSGNQZRYYXHEJB-UHFFFAOYSA-N 1 0 320.436 4.316 20 30 DIEDRO N#Cc1cc(-c2cc(F)ccc2C(F)(F)F)cc(C2C[NH2+]C2)c1 ZINC001240351740 1056442346 /nfs/dbraw/zinc/44/23/46/1056442346.db2.gz XXOSHQHUVSSWBU-UHFFFAOYSA-N 1 0 320.289 4.070 20 30 DIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361507924 1056442339 /nfs/dbraw/zinc/44/23/39/1056442339.db2.gz HECBCTGBEYJJDG-GFCCVEGCSA-N 1 0 321.346 4.109 20 30 DIEDRO N#Cc1cc(-c2cc(F)c3ccccc3c2)cc(C2C[NH2+]C2)c1 ZINC001240360235 1056443966 /nfs/dbraw/zinc/44/39/66/1056443966.db2.gz BXEUMSXWUSTUNY-UHFFFAOYSA-N 1 0 302.352 4.204 20 30 DIEDRO N#Cc1cc(-c2ccc3ccccc3c2F)cc(C2C[NH2+]C2)c1 ZINC001240356401 1056444086 /nfs/dbraw/zinc/44/40/86/1056444086.db2.gz RFNZVYBMCOHOMS-UHFFFAOYSA-N 1 0 302.352 4.204 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240355544 1056444103 /nfs/dbraw/zinc/44/41/03/1056444103.db2.gz IPVOXCHCPYJMGW-NRFANRHFSA-N 1 0 315.420 4.175 20 30 DIEDRO N#Cc1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000619511488 1056452555 /nfs/dbraw/zinc/45/25/55/1056452555.db2.gz SKPLLKAOSQMGAS-UHFFFAOYSA-N 1 0 305.425 4.156 20 30 DIEDRO C=CCc1cc(C)cnc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240385903 1056466275 /nfs/dbraw/zinc/46/62/75/1056466275.db2.gz PZNMQDIKFAHGOI-UHFFFAOYSA-N 1 0 304.437 4.408 20 30 DIEDRO N#CCc1cc(F)ccc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240387153 1056468325 /nfs/dbraw/zinc/46/83/25/1056468325.db2.gz ODXQEQAPSQMWCX-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO N#CCc1ccc(F)c(C2=CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001240387506 1056468550 /nfs/dbraw/zinc/46/85/50/1056468550.db2.gz UBXNAQGFHLTFTE-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO N#Cc1cc2c(cccc2C2=CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001240388131 1056470866 /nfs/dbraw/zinc/47/08/66/1056470866.db2.gz CBLDISADXOLDGM-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO N#CCc1cc(F)cc(C2=CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001240389089 1056473872 /nfs/dbraw/zinc/47/38/72/1056473872.db2.gz VJNRUMSCCZBJIU-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)c1 ZINC001615209407 1056475468 /nfs/dbraw/zinc/47/54/68/1056475468.db2.gz UDSBAGCTJWBDQH-HXUWFJFHSA-N 1 0 320.436 4.082 20 30 DIEDRO Cc1ccccc1OCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001615208088 1056476361 /nfs/dbraw/zinc/47/63/61/1056476361.db2.gz ADNQCQQDOJDDGB-QGZVFWFLSA-N 1 0 308.425 4.329 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001615229583 1056479906 /nfs/dbraw/zinc/47/99/06/1056479906.db2.gz KXDUQCKZICKXNN-JKSUJKDBSA-N 1 0 314.256 4.240 20 30 DIEDRO CCOC(=O)CCCCC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC001615229112 1056479944 /nfs/dbraw/zinc/47/99/44/1056479944.db2.gz DZRIBDCFVFDUHY-MRXNPFEDSA-N 1 0 316.445 4.065 20 30 DIEDRO C=CCN(Cc1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001615232968 1056480365 /nfs/dbraw/zinc/48/03/65/1056480365.db2.gz AGYYOKNFYMVMPI-FQEVSTJZSA-N 1 0 324.443 4.088 20 30 DIEDRO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H](c2ccccc2)O1 ZINC001615245451 1056483063 /nfs/dbraw/zinc/48/30/63/1056483063.db2.gz IKRFMKVSZZVXMC-PKOBYXMFSA-N 1 0 312.457 4.313 20 30 DIEDRO C#CC[N@H+](C[C@@H]1CCCC12CCOCC2)[C@H]1CCc2ccccc21 ZINC001615272071 1056484922 /nfs/dbraw/zinc/48/49/22/1056484922.db2.gz HVWBXFMBJVCMRX-FPOVZHCZSA-N 1 0 323.480 4.206 20 30 DIEDRO C#CC[N@H+](CCCCC1(C#N)CCC1)[C@H]1CCc2ccccc21 ZINC001615272305 1056486495 /nfs/dbraw/zinc/48/64/95/1056486495.db2.gz LVTZKDMSNCWWIY-FQEVSTJZSA-N 1 0 306.453 4.473 20 30 DIEDRO CC(C)[N@H+](CCCN(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC001615326978 1056494490 /nfs/dbraw/zinc/49/44/90/1056494490.db2.gz MQCZXEDOADXAHW-UHFFFAOYSA-N 1 0 321.468 4.295 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)CC1CCC(F)(F)CC1 ZINC001615337446 1056494699 /nfs/dbraw/zinc/49/46/99/1056494699.db2.gz KZFOELRFNKRZJD-UHFFFAOYSA-N 1 0 304.384 4.372 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H](O)c1cccc(C#N)c1 ZINC001615337469 1056496033 /nfs/dbraw/zinc/49/60/33/1056496033.db2.gz LLQOLDFBVOOQIB-WOJBJXKFSA-N 1 0 308.425 4.065 20 30 DIEDRO C#CC[N@@H+](CCOC1CCCCCC1)Cc1ccc(F)cc1 ZINC001615367247 1056498242 /nfs/dbraw/zinc/49/82/42/1056498242.db2.gz UTUQAUGJDVFBOX-UHFFFAOYSA-N 1 0 303.421 4.000 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001615366164 1056498471 /nfs/dbraw/zinc/49/84/71/1056498471.db2.gz DLFYQNGGLIJKNO-UHFFFAOYSA-N 1 0 306.793 4.016 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCO[C@@H](c2ccc(OC)cc2)C1)C(C)(C)C ZINC001168673161 1056504539 /nfs/dbraw/zinc/50/45/39/1056504539.db2.gz QRWTVYZXPIRWSU-FUHWJXTLSA-N 1 0 303.446 4.202 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC001615444580 1056510581 /nfs/dbraw/zinc/51/05/81/1056510581.db2.gz CPOZJPGTFBTBLY-OAQYLSRUSA-N 1 0 304.437 4.207 20 30 DIEDRO C=CC[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)CC1CCCCC1 ZINC001615506126 1056522747 /nfs/dbraw/zinc/52/27/47/1056522747.db2.gz WDCFEEMTYXFPTO-IBGZPJMESA-N 1 0 321.892 4.312 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC001615500361 1056523850 /nfs/dbraw/zinc/52/38/50/1056523850.db2.gz JCEJSRKYIOIYLN-HXUWFJFHSA-N 1 0 320.436 4.082 20 30 DIEDRO C=CCCCCC[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001615523877 1056525309 /nfs/dbraw/zinc/52/53/09/1056525309.db2.gz JQDWGMDZKNVNJF-HOTGVXAUSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCCCCC[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001615523878 1056527433 /nfs/dbraw/zinc/52/74/33/1056527433.db2.gz JQDWGMDZKNVNJF-HZPDHXFCSA-N 1 0 310.482 4.063 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001615535651 1056530019 /nfs/dbraw/zinc/53/00/19/1056530019.db2.gz KFQNCLFPMUNVLJ-KRWDZBQOSA-N 1 0 310.526 4.221 20 30 DIEDRO CCCCCCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC001585355242 1056537829 /nfs/dbraw/zinc/53/78/29/1056537829.db2.gz VYBKFTDJSNTTEX-UHFFFAOYSA-N 1 0 316.445 4.195 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cc(C(=O)OC)ccc1Cl ZINC001615600589 1056544897 /nfs/dbraw/zinc/54/48/97/1056544897.db2.gz KVGCCFZZFPUMLZ-UHFFFAOYSA-N 1 0 309.837 4.305 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001615678878 1056563293 /nfs/dbraw/zinc/56/32/93/1056563293.db2.gz MNEZZINWMNYKGM-INIZCTEOSA-N 1 0 310.482 4.064 20 30 DIEDRO CCCCCCCCC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001615694176 1056564063 /nfs/dbraw/zinc/56/40/63/1056564063.db2.gz ICJKVJIKZJXXNO-HNNXBMFYSA-N 1 0 308.432 4.305 20 30 DIEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1C#N)CC(C)C ZINC001615798606 1056576774 /nfs/dbraw/zinc/57/67/74/1056576774.db2.gz YPDMCKSBRCVITA-UHFFFAOYSA-N 1 0 321.896 4.011 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCCCC1(C#N)CCC1 ZINC001615961473 1056601600 /nfs/dbraw/zinc/60/16/00/1056601600.db2.gz QCVSPTMLIFUWFK-DLBZAZTESA-N 1 0 306.494 4.376 20 30 DIEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001615989130 1056603922 /nfs/dbraw/zinc/60/39/22/1056603922.db2.gz XBCBYRWZWYOGTA-APWZRJJASA-N 1 0 300.446 4.228 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2F)C1(CC)CC ZINC001615998471 1056605117 /nfs/dbraw/zinc/60/51/17/1056605117.db2.gz FZPCEBNTHWDPBE-DLBZAZTESA-N 1 0 318.436 4.113 20 30 DIEDRO C=CCCCC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001616014176 1056605282 /nfs/dbraw/zinc/60/52/82/1056605282.db2.gz WFNOWJFUBJRBEI-QFBILLFUSA-N 1 0 324.509 4.406 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)CCc2ccc(C#N)cc2)C1(CC)CC ZINC001615999674 1056605476 /nfs/dbraw/zinc/60/54/76/1056605476.db2.gz TURRKPOXXJSTEV-OALUTQOASA-N 1 0 314.473 4.016 20 30 DIEDRO C=C(C)CC[N@H+]1CCC[C@@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC001616003665 1056605695 /nfs/dbraw/zinc/60/56/95/1056605695.db2.gz QZJWSKXLBXNFLD-GOSISDBHSA-N 1 0 311.429 4.188 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC001616159976 1056616493 /nfs/dbraw/zinc/61/64/93/1056616493.db2.gz WLXLEBHKLJFOAK-MSOLQXFVSA-N 1 0 318.436 4.113 20 30 DIEDRO C[C@@H]1Cc2cc(C[NH2+][C@@H](CCC#N)c3ccccc3)ccc2O1 ZINC000921923282 1056625239 /nfs/dbraw/zinc/62/52/39/1056625239.db2.gz JUCMSYGOCCTMCR-BEFAXECRSA-N 1 0 306.409 4.145 20 30 DIEDRO N#Cc1ccc(CNCc2ccccc2OCc2ccccc2)o1 ZINC000310264741 1056638217 /nfs/dbraw/zinc/63/82/17/1056638217.db2.gz IFEONXWBURLDLW-UHFFFAOYSA-N 1 0 318.376 4.020 20 30 DIEDRO N#CC1(c2ccccc2-c2cccc(C(F)F)c2)CC[NH2+]CC1 ZINC001240692809 1056644263 /nfs/dbraw/zinc/64/42/63/1056644263.db2.gz MDVLZDBVSWKVBW-UHFFFAOYSA-N 1 0 312.363 4.436 20 30 DIEDRO C[N@H+](Cc1ccc(Br)s1)Cc1cccc(C#N)c1 ZINC000015371814 1056682969 /nfs/dbraw/zinc/68/29/69/1056682969.db2.gz FRYJLQCGJXOROV-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3Cc4cccc(Cl)c4C3)(CC1)CC2 ZINC001168698273 1056694933 /nfs/dbraw/zinc/69/49/33/1056694933.db2.gz KUYAQPAJMHJRNK-RWBZWWBESA-N 1 0 300.833 4.013 20 30 DIEDRO CCc1ccc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC001616720819 1056707133 /nfs/dbraw/zinc/70/71/33/1056707133.db2.gz OHJCGONACCCEOX-MRXNPFEDSA-N 1 0 308.425 4.240 20 30 DIEDRO Cc1cccc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)c1C ZINC001616816421 1056721327 /nfs/dbraw/zinc/72/13/27/1056721327.db2.gz KAQMGTZURHUJOS-QGZVFWFLSA-N 1 0 308.425 4.295 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001616874811 1056732320 /nfs/dbraw/zinc/73/23/20/1056732320.db2.gz YFFFDEMFIMJRJK-SJLPKXTDSA-N 1 0 311.425 4.457 20 30 DIEDRO CO[C@H](C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC001616899032 1056734909 /nfs/dbraw/zinc/73/49/09/1056734909.db2.gz NSPUQEAQJRRFBJ-OAQYLSRUSA-N 1 0 324.468 4.243 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccco1 ZINC000672620041 1056736022 /nfs/dbraw/zinc/73/60/22/1056736022.db2.gz SHJBDKRYRMTAIM-DOTOQJQBSA-N 1 0 319.832 4.306 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccco1 ZINC000672620047 1056736984 /nfs/dbraw/zinc/73/69/84/1056736984.db2.gz SHJBDKRYRMTAIM-NVXWUHKLSA-N 1 0 319.832 4.306 20 30 DIEDRO COCCCC[C@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1 ZINC000922075748 1056785365 /nfs/dbraw/zinc/78/53/65/1056785365.db2.gz FFPXTWIJCGBQEO-SFHVURJKSA-N 1 0 314.454 4.267 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC001617275149 1056804660 /nfs/dbraw/zinc/80/46/60/1056804660.db2.gz VSUKOGUNRSLZKP-FUHWJXTLSA-N 1 0 300.446 4.261 20 30 DIEDRO CCCCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OCC)C1 ZINC001617316753 1056811519 /nfs/dbraw/zinc/81/15/19/1056811519.db2.gz DPWWAFSPVMZSNS-IRXDYDNUSA-N 1 0 312.498 4.194 20 30 DIEDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC001617498716 1056841670 /nfs/dbraw/zinc/84/16/70/1056841670.db2.gz NXXOIPTZCBCBER-SFTDATJTSA-N 1 0 320.436 4.272 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1 ZINC000922144472 1056845555 /nfs/dbraw/zinc/84/55/55/1056845555.db2.gz DYHQWZAKBPUEFF-IBGZPJMESA-N 1 0 306.409 4.146 20 30 DIEDRO C[N@H+](CCOc1ccccc1C(C)(C)C)CCC(C)(C)C#N ZINC001617598398 1056855090 /nfs/dbraw/zinc/85/50/90/1056855090.db2.gz ZRCJYXSYQNVAOS-UHFFFAOYSA-N 1 0 302.462 4.235 20 30 DIEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2cc(C)ccc2C)CCCC1(C)C ZINC001617603661 1056855927 /nfs/dbraw/zinc/85/59/27/1056855927.db2.gz BHBGMYBKPWLXIR-GOSISDBHSA-N 1 0 314.473 4.309 20 30 DIEDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001617638028 1056861723 /nfs/dbraw/zinc/86/17/23/1056861723.db2.gz VHUUJIXAVQKDPZ-IBGZPJMESA-N 1 0 320.477 4.048 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421856218 1056865927 /nfs/dbraw/zinc/86/59/27/1056865927.db2.gz NXLPWYNNKBNXBV-CTNGQTDRSA-N 1 0 319.452 4.354 20 30 DIEDRO CCC#C[C@@H](C)N(C)Cc1ccc(Br)cc1Cl ZINC001617743461 1056875625 /nfs/dbraw/zinc/87/56/25/1056875625.db2.gz VBKUJLVGOHIOFM-LLVKDONJSA-N 1 0 314.654 4.336 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)ccc1C#N ZINC000554999849 1056881735 /nfs/dbraw/zinc/88/17/35/1056881735.db2.gz HZKRKMJHZGTHAH-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO CCOc1ccc(F)cc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001241104357 1056896463 /nfs/dbraw/zinc/89/64/63/1056896463.db2.gz CJXOOXINSNHQGX-UHFFFAOYSA-N 1 0 324.399 4.036 20 30 DIEDRO CCCOc1c(C[NH2+]Cc2cccc(C#N)c2)cccc1OCC ZINC000066972013 1056907617 /nfs/dbraw/zinc/90/76/17/1056907617.db2.gz RQRYFVXZMJWHDH-UHFFFAOYSA-N 1 0 324.424 4.036 20 30 DIEDRO CCCCCCCCOc1ccc(-c2cc(C[NH3+])ncn2)cc1 ZINC001241126802 1056911523 /nfs/dbraw/zinc/91/15/23/1056911523.db2.gz GGVARIGFFCTZMQ-UHFFFAOYSA-N 1 0 313.445 4.342 20 30 DIEDRO C=CCCCCC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001618083778 1056921649 /nfs/dbraw/zinc/92/16/49/1056921649.db2.gz DVOIJCYKRQJXDT-MRXNPFEDSA-N 1 0 315.379 4.465 20 30 DIEDRO C=C(CC)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001618083944 1056922552 /nfs/dbraw/zinc/92/25/52/1056922552.db2.gz IIRUQHZUFGJJMG-HNNXBMFYSA-N 1 0 308.263 4.280 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001618195952 1056933245 /nfs/dbraw/zinc/93/32/45/1056933245.db2.gz GUENIHVHWGKFJK-CBGDNZLLSA-N 1 0 307.412 4.444 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000011038254 1056939251 /nfs/dbraw/zinc/93/92/51/1056939251.db2.gz WPMMLVBZYPWGNL-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO CCCCCCCOc1ccc(-c2ncc3c(n2)C[NH2+]C3)cc1 ZINC001241217924 1056965755 /nfs/dbraw/zinc/96/57/55/1056965755.db2.gz GFSFOMSPMPSTMV-UHFFFAOYSA-N 1 0 311.429 4.096 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000080533714 1056976838 /nfs/dbraw/zinc/97/68/38/1056976838.db2.gz NILLJHMUZINSGT-NHCUHLMSSA-N 1 0 320.436 4.124 20 30 DIEDRO COc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(C)c1 ZINC000922225362 1056981904 /nfs/dbraw/zinc/98/19/04/1056981904.db2.gz ZBCJTWOXXZPEFG-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)ccc1Cl ZINC001168714710 1056983046 /nfs/dbraw/zinc/98/30/46/1056983046.db2.gz KBSRKHRFBDTOAX-CQSZACIVSA-N 1 0 317.219 4.122 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000116927372 1056987857 /nfs/dbraw/zinc/98/78/57/1056987857.db2.gz RIWIAUYWFAVFEH-GFCCVEGCSA-N 1 0 317.351 4.081 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(Cl)cc3cccnc32)CCOCC1 ZINC000657633122 1057003581 /nfs/dbraw/zinc/00/35/81/1057003581.db2.gz HWNQMIKJPLDIAT-UHFFFAOYSA-N 1 0 316.832 4.103 20 30 DIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2C#N)cc1 ZINC000013002135 1057015289 /nfs/dbraw/zinc/01/52/89/1057015289.db2.gz UKPDANWXITXYGH-HXUWFJFHSA-N 1 0 306.409 4.294 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(C)cnc2OC)cc1 ZINC001241367297 1057028793 /nfs/dbraw/zinc/02/87/93/1057028793.db2.gz JLKQXOSTXCOORL-LJQANCHMSA-N 1 0 308.425 4.389 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(N(C)C)nc2)cc1 ZINC001241373444 1057029524 /nfs/dbraw/zinc/02/95/24/1057029524.db2.gz ZEVWZDHMJPOSLE-IBGZPJMESA-N 1 0 307.441 4.138 20 30 DIEDRO N#Cc1c2c(cnc1-c1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC001241388735 1057034831 /nfs/dbraw/zinc/03/48/31/1057034831.db2.gz JUSVLIDBXHVQMF-UHFFFAOYSA-N 1 0 317.436 4.095 20 30 DIEDRO COc1c(C#N)c(F)ccc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001241390335 1057036665 /nfs/dbraw/zinc/03/66/65/1057036665.db2.gz NSJQGINWKREKER-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO COc1cc(C#N)ccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001241394791 1057038244 /nfs/dbraw/zinc/03/82/44/1057038244.db2.gz DILMCIPLGBTOQG-HNNXBMFYSA-N 1 0 321.424 4.003 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc3ncccc3c2)CC[NH2+]CC1 ZINC001241399907 1057039513 /nfs/dbraw/zinc/03/95/13/1057039513.db2.gz CXXKLKLICBOPPV-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO CC[C@@H](NCc1ccc(C#N)cc1F)c1cc(F)ccc1OC ZINC000922621487 1057040482 /nfs/dbraw/zinc/04/04/82/1057040482.db2.gz LUEYZFMEUVGLST-QGZVFWFLSA-N 1 0 316.351 4.086 20 30 DIEDRO CC(C)Oc1cccc(C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000093864513 1057043194 /nfs/dbraw/zinc/04/31/94/1057043194.db2.gz PGDDQVLPBBLGAC-UHFFFAOYSA-N 1 0 300.427 4.039 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(C#N)cc2OC)ccc1OC ZINC001241408846 1057044096 /nfs/dbraw/zinc/04/40/96/1057044096.db2.gz NLRYALQCBBHQSV-UHFFFAOYSA-N 1 0 324.424 4.084 20 30 DIEDRO COc1cc(C#N)ccc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001241409043 1057044243 /nfs/dbraw/zinc/04/42/43/1057044243.db2.gz UCCWEXZSZVSXSM-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCCc2cccnc21 ZINC000155219804 1057045711 /nfs/dbraw/zinc/04/57/11/1057045711.db2.gz MHCDXUNLEDEVJY-GOSISDBHSA-N 1 0 309.413 4.082 20 30 DIEDRO COc1ccc2ccccc2c1CC[NH2+]CC(C)(C)CCC#N ZINC000922682689 1057047467 /nfs/dbraw/zinc/04/74/67/1057047467.db2.gz ACSLIHWGQDAZEU-UHFFFAOYSA-N 1 0 310.441 4.310 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)cc1C#N ZINC000922759092 1057055343 /nfs/dbraw/zinc/05/53/43/1057055343.db2.gz CIRSIDWVQJRVIS-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922843418 1057068680 /nfs/dbraw/zinc/06/86/80/1057068680.db2.gz RHDYSFVYNVXNES-INIZCTEOSA-N 1 0 300.471 4.083 20 30 DIEDRO CC1(C=[NH+]n2cnnc2SCc2ccc(Cl)cc2)CCC1 ZINC000766002690 1057069359 /nfs/dbraw/zinc/06/93/59/1057069359.db2.gz PQNFHBBJVRQPSA-UHFFFAOYSA-N 1 0 320.849 4.248 20 30 DIEDRO N#CCc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)c(F)c1 ZINC001241504154 1057073131 /nfs/dbraw/zinc/07/31/31/1057073131.db2.gz PGESLBSPYASQCB-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO N#CCOc1cc(F)ccc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241504168 1057073336 /nfs/dbraw/zinc/07/33/36/1057073336.db2.gz PSUZORTVGICQLY-UHFFFAOYSA-N 1 0 322.383 4.017 20 30 DIEDRO N#CCCOc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001241507544 1057078971 /nfs/dbraw/zinc/07/89/71/1057078971.db2.gz YFEHOTBZIQMYBF-UHFFFAOYSA-N 1 0 318.420 4.268 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCCc2nc(CC)sc21)c1ccncc1 ZINC000766018249 1057108680 /nfs/dbraw/zinc/10/86/80/1057108680.db2.gz GUWCEDNLYLHDAC-HUUCEWRRSA-N 1 0 313.470 4.385 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000766019256 1057113562 /nfs/dbraw/zinc/11/35/62/1057113562.db2.gz LFCNEFDSOXXGRD-MSOLQXFVSA-N 1 0 311.385 4.348 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000766019267 1057113569 /nfs/dbraw/zinc/11/35/69/1057113569.db2.gz LFCNEFDSOXXGRD-ZWKOTPCHSA-N 1 0 311.385 4.348 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(F)c1)c1ccncc1 ZINC000766020584 1057117295 /nfs/dbraw/zinc/11/72/95/1057117295.db2.gz QNOVFEWKQKREJJ-CXAGYDPISA-N 1 0 300.377 4.197 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cc(F)cc(C#N)c2)nc1 ZINC001241657144 1057124935 /nfs/dbraw/zinc/12/49/35/1057124935.db2.gz AGISFOPZZFPRAE-LJQANCHMSA-N 1 0 309.388 4.306 20 30 DIEDRO Cc1ccc(CCC2CCN(C[C@H](C#N)CCC#N)CC2)cc1 ZINC000028802152 1057126166 /nfs/dbraw/zinc/12/61/66/1057126166.db2.gz SZZBADJPQHXNNH-FQEVSTJZSA-N 1 0 309.457 4.083 20 30 DIEDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c1 ZINC000162779479 1057150433 /nfs/dbraw/zinc/15/04/33/1057150433.db2.gz JEYZSFSDJXGPBT-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCCC2)CCC1 ZINC001307584135 1057153649 /nfs/dbraw/zinc/15/36/49/1057153649.db2.gz SYHKREVFTKDIAP-OALUTQOASA-N 1 0 318.505 4.256 20 30 DIEDRO N#Cc1c(F)cccc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241758580 1057158819 /nfs/dbraw/zinc/15/88/19/1057158819.db2.gz GQTGKZSLXQHSCU-UHFFFAOYSA-N 1 0 324.399 4.229 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000625700533 1057192052 /nfs/dbraw/zinc/19/20/52/1057192052.db2.gz KAAVIGMVHKLQPV-QGZVFWFLSA-N 1 0 308.425 4.059 20 30 DIEDRO C=CC[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000625701152 1057192349 /nfs/dbraw/zinc/19/23/49/1057192349.db2.gz OWWSGSQCLPYZHF-KRWDZBQOSA-N 1 0 308.425 4.059 20 30 DIEDRO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000625702376 1057192585 /nfs/dbraw/zinc/19/25/85/1057192585.db2.gz FCCHGVPFGMEINS-KRWDZBQOSA-N 1 0 320.436 4.190 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc3scnc3c2)CC[NH2+]CC1 ZINC001241869117 1057196747 /nfs/dbraw/zinc/19/67/47/1057196747.db2.gz CTALQFSHZKWIHS-UHFFFAOYSA-N 1 0 319.433 4.108 20 30 DIEDRO C=C(C)CCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001128771624 1057264818 /nfs/dbraw/zinc/26/48/18/1057264818.db2.gz MQBVLCAHLYDKPX-KRWDZBQOSA-N 1 0 322.880 4.195 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]C[C@H]3CCSC3)c2)s1 ZINC000785473343 1057266757 /nfs/dbraw/zinc/26/67/57/1057266757.db2.gz DRCYNBYPLUJAKU-CQSZACIVSA-N 1 0 314.479 4.129 20 30 DIEDRO N#Cc1cncc(-c2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c1 ZINC001242275002 1057315624 /nfs/dbraw/zinc/31/56/24/1057315624.db2.gz LQOLTVXNQUNOCK-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cccc(OC)c2C#N)ccc1OC ZINC001242299489 1057325757 /nfs/dbraw/zinc/32/57/57/1057325757.db2.gz PBNOXQNBORDLFJ-UHFFFAOYSA-N 1 0 324.424 4.084 20 30 DIEDRO CC[NH+](CC)Cc1cc(C)ccc1-c1cccc(OC)c1C#N ZINC001242299715 1057326177 /nfs/dbraw/zinc/32/61/77/1057326177.db2.gz VKUSUVPYTFDPHJ-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(C2=CC(=O)CC(C)(C)C2)c1 ZINC001242317895 1057332627 /nfs/dbraw/zinc/33/26/27/1057332627.db2.gz GHCMUCCYWAIBCQ-UHFFFAOYSA-N 1 0 303.421 4.440 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(C#N)c(C)c2)cc1 ZINC001242357212 1057343566 /nfs/dbraw/zinc/34/35/66/1057343566.db2.gz LACVNDPPQRWOBE-HXUWFJFHSA-N 1 0 303.409 4.252 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000174253400 1057354946 /nfs/dbraw/zinc/35/49/46/1057354946.db2.gz ZKOMGHASXXNMJY-UHFFFAOYSA-N 1 0 314.351 4.047 20 30 DIEDRO COc1ccccc1C1(C[NH2+]CC(C)(C)CCC#N)CCCC1 ZINC000174298659 1057356809 /nfs/dbraw/zinc/35/68/09/1057356809.db2.gz AIGPSVJIUWOJHC-UHFFFAOYSA-N 1 0 314.473 4.427 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1ccc(C#N)o1 ZINC000174329510 1057357710 /nfs/dbraw/zinc/35/77/10/1057357710.db2.gz UNRWYKAOBPUZMM-SNVBAGLBSA-N 1 0 309.196 4.179 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(C(C)=O)nc2)cc1 ZINC001242403462 1057359129 /nfs/dbraw/zinc/35/91/29/1057359129.db2.gz QEMWWCKSMAPGHL-FQEVSTJZSA-N 1 0 306.409 4.274 20 30 DIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]CC(C)(C)CCC#N)ccn1 ZINC000174375295 1057359959 /nfs/dbraw/zinc/35/99/59/1057359959.db2.gz WQTOBDYZXNPKOR-INIZCTEOSA-N 1 0 317.477 4.315 20 30 DIEDRO COc1ccc(Cl)cc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000174430611 1057361995 /nfs/dbraw/zinc/36/19/95/1057361995.db2.gz JOQBLQNVTDLHLP-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnn(C(F)(F)F)c2)cc1 ZINC001242466096 1057374553 /nfs/dbraw/zinc/37/45/53/1057374553.db2.gz UOMJNAWQUGKKCG-INIZCTEOSA-N 1 0 321.346 4.349 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cccc3c2OCCO3)cc1 ZINC001242469722 1057375524 /nfs/dbraw/zinc/37/55/24/1057375524.db2.gz HEWPXASUWKZUKZ-LJQANCHMSA-N 1 0 321.420 4.448 20 30 DIEDRO Cc1cc(C#N)ccc1-c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001242472920 1057376337 /nfs/dbraw/zinc/37/63/37/1057376337.db2.gz NEONAIFDPULAGI-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO Cc1ccc(C#N)cc1-c1cc(F)c(C[NH+]2CCCC2)c(F)c1 ZINC001242544234 1057399848 /nfs/dbraw/zinc/39/98/48/1057399848.db2.gz JRIPCXMRYYQJKJ-UHFFFAOYSA-N 1 0 312.363 4.408 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000675781883 1057413223 /nfs/dbraw/zinc/41/32/23/1057413223.db2.gz FSWHKMMCFZBGDL-SFHVURJKSA-N 1 0 317.436 4.295 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1 ZINC000675782178 1057413295 /nfs/dbraw/zinc/41/32/95/1057413295.db2.gz NBZXFZLTJHTPII-AWEZNQCLSA-N 1 0 315.388 4.207 20 30 DIEDRO C=C(C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000675783077 1057414118 /nfs/dbraw/zinc/41/41/18/1057414118.db2.gz AKACCLVXAVWMFH-KRWDZBQOSA-N 1 0 308.425 4.015 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccnc(C(C)=O)c2)cc1 ZINC001242612464 1057423901 /nfs/dbraw/zinc/42/39/01/1057423901.db2.gz OSFBUZBDPCQJTN-FQEVSTJZSA-N 1 0 306.409 4.274 20 30 DIEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000675934087 1057434410 /nfs/dbraw/zinc/43/44/10/1057434410.db2.gz HTVWWNAJSBALRT-FZMZJTMJSA-N 1 0 302.418 4.491 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000675933342 1057434693 /nfs/dbraw/zinc/43/46/93/1057434693.db2.gz BUPIESGWLJFKMF-HZPDHXFCSA-N 1 0 321.424 4.138 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000675933527 1057434895 /nfs/dbraw/zinc/43/48/95/1057434895.db2.gz FXGCQEPANDGRSY-IUODEOHRSA-N 1 0 314.454 4.360 20 30 DIEDRO N#CCc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242674803 1057443612 /nfs/dbraw/zinc/44/36/12/1057443612.db2.gz WIQGDYLVQVHKHY-UHFFFAOYSA-N 1 0 302.299 4.042 20 30 DIEDRO N#Cc1ccc2ccnc(C3=CC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC001242688740 1057446829 /nfs/dbraw/zinc/44/68/29/1057446829.db2.gz RVVXWLCYUINYFR-GOSISDBHSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1ccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)nc1C(F)(F)F ZINC001242688246 1057446963 /nfs/dbraw/zinc/44/69/63/1057446963.db2.gz FZFUDLKMOYACKX-CQSZACIVSA-N 1 0 321.346 4.004 20 30 DIEDRO Cc1c(C#N)c(C2=CC[C@@H]([NH+]3CCCC3)CC2)nc2ccccc12 ZINC001242688446 1057447055 /nfs/dbraw/zinc/44/70/55/1057447055.db2.gz COYHKSCEHCOYRL-QGZVFWFLSA-N 1 0 317.436 4.447 20 30 DIEDRO C[Si](C)(C)C#Cc1ccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC001242689374 1057447679 /nfs/dbraw/zinc/44/76/79/1057447679.db2.gz ZPPIBZWQBXOKFU-LJQANCHMSA-N 1 0 324.544 4.342 20 30 DIEDRO N#Cc1ncc(C2=CC[C@H]([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC001242690923 1057448355 /nfs/dbraw/zinc/44/83/55/1057448355.db2.gz AVGDNXADVRZTMD-AWEZNQCLSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1cnc(C2=CC[C@@H]([NH+]3CCCC3)CC2)c2sccc21 ZINC001242693685 1057449482 /nfs/dbraw/zinc/44/94/82/1057449482.db2.gz XDTIUZRTWZAITD-OAHLLOKOSA-N 1 0 309.438 4.200 20 30 DIEDRO N#Cc1ccc(OC(F)F)cc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242693169 1057449705 /nfs/dbraw/zinc/44/97/05/1057449705.db2.gz JQYBLXDSVNAUAE-OAHLLOKOSA-N 1 0 318.367 4.191 20 30 DIEDRO N#Cc1cnc2cc(C3=CC[C@@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC001242692649 1057449830 /nfs/dbraw/zinc/44/98/30/1057449830.db2.gz HLROITYSQJKDMT-LJQANCHMSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1nc2c(cccc2C2=CC[C@H]([NH+]3CCCC3)CC2)s1 ZINC001242695501 1057450080 /nfs/dbraw/zinc/45/00/80/1057450080.db2.gz CPWPYRMFGYJZFR-AWEZNQCLSA-N 1 0 309.438 4.200 20 30 DIEDRO C[C@@H]1CC(=O)C=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)C1 ZINC001242741628 1057464737 /nfs/dbraw/zinc/46/47/37/1057464737.db2.gz WMMFOGSUASHIAL-HNNXBMFYSA-N 1 0 322.452 4.189 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccccc1 ZINC000676421229 1057471796 /nfs/dbraw/zinc/47/17/96/1057471796.db2.gz FSDBHBWDRARDRP-SFHVURJKSA-N 1 0 305.425 4.370 20 30 DIEDRO Oc1ccc([C@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)cc1 ZINC000676632369 1057489280 /nfs/dbraw/zinc/48/92/80/1057489280.db2.gz QKOWCRMZEBMBHW-LJQANCHMSA-N 1 0 311.812 4.234 20 30 DIEDRO CC#Cc1cncc(-c2ccc(C3CC[NH+](CC)CC3)cc2)c1 ZINC001242943165 1057525125 /nfs/dbraw/zinc/52/51/25/1057525125.db2.gz SNKLINJZIGITBB-UHFFFAOYSA-N 1 0 304.437 4.319 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccnc(OC)c2OC)cc1 ZINC001242963334 1057529391 /nfs/dbraw/zinc/52/93/91/1057529391.db2.gz OELVGULXDOOZDF-GOSISDBHSA-N 1 0 324.424 4.089 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnn3ccccc23)cc1 ZINC001242966938 1057529862 /nfs/dbraw/zinc/52/98/62/1057529862.db2.gz DYUPTMVBUDYMJD-LJQANCHMSA-N 1 0 303.409 4.324 20 30 DIEDRO C=CCC1(NCc2noc(Cc3ccccc3)n2)CCCCC1 ZINC000625936581 1057539320 /nfs/dbraw/zinc/53/93/20/1057539320.db2.gz QILPVOMGLJHKES-UHFFFAOYSA-N 1 0 311.429 4.029 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)CCCCC1 ZINC000625935675 1057540341 /nfs/dbraw/zinc/54/03/41/1057540341.db2.gz IIRBRCMNQQEZJY-UHFFFAOYSA-N 1 0 314.473 4.419 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1nccc2ccccc21 ZINC000611264967 1057587058 /nfs/dbraw/zinc/58/70/58/1057587058.db2.gz BNYPBSRJZNVHON-UHFFFAOYSA-N 1 0 313.404 4.295 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)s1)Cc1ccc(OC)cc1 ZINC000611255658 1057587325 /nfs/dbraw/zinc/58/73/25/1057587325.db2.gz CWHMRAGHANOWNA-UHFFFAOYSA-N 1 0 300.427 4.041 20 30 DIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000611268908 1057587684 /nfs/dbraw/zinc/58/76/84/1057587684.db2.gz BYVSHARERFWSDD-KRWDZBQOSA-N 1 0 312.438 4.356 20 30 DIEDRO CC(C)C[N@H+](Cc1[nH]nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000611257875 1057587885 /nfs/dbraw/zinc/58/78/85/1057587885.db2.gz XHHOJOHMVKICGZ-UHFFFAOYSA-N 1 0 318.424 4.093 20 30 DIEDRO CCCOc1ccc(OCC[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000611386792 1057594798 /nfs/dbraw/zinc/59/47/98/1057594798.db2.gz VJUHSQNFUUSGRM-MRXNPFEDSA-N 1 0 324.424 4.077 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000611393067 1057595031 /nfs/dbraw/zinc/59/50/31/1057595031.db2.gz GVYYIQYHDJRBKD-XOBRGWDASA-N 1 0 308.425 4.448 20 30 DIEDRO CCOCc1ccccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390742 1057595163 /nfs/dbraw/zinc/59/51/63/1057595163.db2.gz RKCKPSOUTLMJKT-NRFANRHFSA-N 1 0 320.436 4.262 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Oc1ccc(F)cc1 ZINC000611393016 1057595513 /nfs/dbraw/zinc/59/55/13/1057595513.db2.gz CUVCLZRWVMFODA-VLIAUNLRSA-N 1 0 324.399 4.132 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CSc2ccccc21 ZINC000611393440 1057595556 /nfs/dbraw/zinc/59/55/56/1057595556.db2.gz UFWYGWHNTSLVDY-QZTJIDSGSA-N 1 0 306.434 4.372 20 30 DIEDRO C[C@@H](COc1cccc(F)c1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390758 1057595718 /nfs/dbraw/zinc/59/57/18/1057595718.db2.gz AWVSXRAMGRHWEF-VBKZILBWSA-N 1 0 324.399 4.132 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000611394456 1057596403 /nfs/dbraw/zinc/59/64/03/1057596403.db2.gz KDIWYLBBRHXMLX-QZTJIDSGSA-N 1 0 324.811 4.312 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCCCO1 ZINC000611394265 1057596455 /nfs/dbraw/zinc/59/64/55/1057596455.db2.gz AKMIJEYSZNBZEO-MOPGFXCFSA-N 1 0 312.457 4.121 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000611394719 1057597004 /nfs/dbraw/zinc/59/70/04/1057597004.db2.gz YOJFHBPPYFLBDG-LRSLUSHPSA-N 1 0 314.432 4.111 20 30 DIEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(F)cc1F ZINC000611403808 1057597169 /nfs/dbraw/zinc/59/71/69/1057597169.db2.gz LSORUXJUPRBJKE-KRWDZBQOSA-N 1 0 315.367 4.108 20 30 DIEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccnc(C#N)c1 ZINC000611402529 1057597569 /nfs/dbraw/zinc/59/75/69/1057597569.db2.gz XWTMDMZGUOCAAH-LJQANCHMSA-N 1 0 323.440 4.229 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391090 1057598464 /nfs/dbraw/zinc/59/84/64/1057598464.db2.gz SAPCRKYUFQTJBI-DJJJIMSYSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000611434122 1057599301 /nfs/dbraw/zinc/59/93/01/1057599301.db2.gz PADNPMBSGUBUBL-OCBCSQNSSA-N 1 0 311.816 4.094 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCc4c3cc(F)cc4F)CC2)c1 ZINC000611475985 1057603021 /nfs/dbraw/zinc/60/30/21/1057603021.db2.gz MCYXCAYPXLZJIC-SFHVURJKSA-N 1 0 310.347 4.103 20 30 DIEDRO C[C@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000611477047 1057603201 /nfs/dbraw/zinc/60/32/01/1057603201.db2.gz SBSMDHFXLNHMHE-KRWDZBQOSA-N 1 0 320.436 4.348 20 30 DIEDRO COCC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000611521843 1057604861 /nfs/dbraw/zinc/60/48/61/1057604861.db2.gz CSIACZZQNIFRLC-OALUTQOASA-N 1 0 324.424 4.205 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ncc2c(c1C#N)CCCC2 ZINC001243334713 1057650125 /nfs/dbraw/zinc/65/01/25/1057650125.db2.gz DKVSMBOEDQZJOR-UHFFFAOYSA-N 1 0 319.452 4.341 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(F)c(C#N)c1OC ZINC001243338943 1057652071 /nfs/dbraw/zinc/65/20/71/1057652071.db2.gz IPQWMODFKVXZFH-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2nc(C)cs2)c(O)c1 ZINC000727653004 1057663348 /nfs/dbraw/zinc/66/33/48/1057663348.db2.gz ABPFVBSOQQOADE-HVOBPNNYSA-N 1 0 317.458 4.183 20 30 DIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000727839067 1057676773 /nfs/dbraw/zinc/67/67/73/1057676773.db2.gz VMHQEFLWNXNOOG-QUCCMNQESA-N 1 0 313.489 4.485 20 30 DIEDRO N#CC1(c2ccc(-c3cccc(C4CC[NH2+]CC4)c3)cc2)CC1 ZINC001243422470 1057679099 /nfs/dbraw/zinc/67/90/99/1057679099.db2.gz UKYWPDLMUNJJFW-UHFFFAOYSA-N 1 0 302.421 4.376 20 30 DIEDRO CC(C)CC[N@@H+]1Cc2cccc(N=Cc3cccc(O)c3O)c2C1 ZINC000727973302 1057681720 /nfs/dbraw/zinc/68/17/20/1057681720.db2.gz XYWAUMJOTQVAFI-UHFFFAOYSA-N 1 0 324.424 4.210 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2OCC#N)nc1 ZINC001243584612 1057724511 /nfs/dbraw/zinc/72/45/11/1057724511.db2.gz RQQOXGWXOFQBSJ-INIZCTEOSA-N 1 0 321.424 4.025 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2OCC#N)nc1 ZINC001243584615 1057724804 /nfs/dbraw/zinc/72/48/04/1057724804.db2.gz RQQOXGWXOFQBSJ-MRXNPFEDSA-N 1 0 321.424 4.025 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccccc2OCC#N)ccc1F ZINC001243587548 1057725589 /nfs/dbraw/zinc/72/55/89/1057725589.db2.gz XNEASECRFNDOQN-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1-c1ccc(OCC#N)cc1 ZINC001243591484 1057726751 /nfs/dbraw/zinc/72/67/51/1057726751.db2.gz HEKZIMGMJXOKAS-UHFFFAOYSA-N 1 0 306.409 4.160 20 30 DIEDRO C[NH+]1CCC(c2cccc(-c3ccc(OCC#N)cc3)c2)CC1 ZINC001243594745 1057727472 /nfs/dbraw/zinc/72/74/72/1057727472.db2.gz GPILAZPPRAGCNE-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO CCCCCCCCCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730905781 1057727719 /nfs/dbraw/zinc/72/77/19/1057727719.db2.gz SYPAPOCNXFAUST-GOSISDBHSA-N 1 0 323.525 4.007 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(/C=N/O)c(F)c3)cc2)CC1 ZINC001243657392 1057745613 /nfs/dbraw/zinc/74/56/13/1057745613.db2.gz PCVWBZZIPNBBIT-FYJGNVAPSA-N 1 0 312.388 4.110 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cn1ccc(-c2ccsc2)n1 ZINC000731661951 1057751095 /nfs/dbraw/zinc/75/10/95/1057751095.db2.gz ZNFGCNZUUQALOG-UHFFFAOYSA-N 1 0 323.465 4.300 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(OC)cc2C#N)nc1 ZINC001243726720 1057764186 /nfs/dbraw/zinc/76/41/86/1057764186.db2.gz LURCLQQYKONJGA-HXUWFJFHSA-N 1 0 321.424 4.176 20 30 DIEDRO COc1ccc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)c(C#N)c1 ZINC001243732841 1057765490 /nfs/dbraw/zinc/76/54/90/1057765490.db2.gz ZDHPTEZWISGMBZ-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CC[C@H](C#N)c1ccc(-c2cccc(OCC[NH+](C)C)c2)cc1 ZINC001243752294 1057770950 /nfs/dbraw/zinc/77/09/50/1057770950.db2.gz QGQOULQUCFDVTP-MRXNPFEDSA-N 1 0 308.425 4.311 20 30 DIEDRO N#C[C@H]1CC=C(c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)CC1 ZINC001243795376 1057781343 /nfs/dbraw/zinc/78/13/43/1057781343.db2.gz SQSBFFNRLSZSNK-XJTZBENFSA-N 1 0 318.424 4.083 20 30 DIEDRO N#C[C@H]1CC=C(c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001243795304 1057781548 /nfs/dbraw/zinc/78/15/48/1057781548.db2.gz SEAHZKLARACVLL-CWFSZBLJSA-N 1 0 310.441 4.180 20 30 DIEDRO C=CCSc1nc2ccccc2n1C[N@H+](CC)CC1CC1 ZINC000732663546 1057782575 /nfs/dbraw/zinc/78/25/75/1057782575.db2.gz YWXYOXZJIJIOKC-UHFFFAOYSA-N 1 0 301.459 4.004 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(C3=CC[C@H](C#N)CC3)c(C)c2)CC1 ZINC001243801483 1057782838 /nfs/dbraw/zinc/78/28/38/1057782838.db2.gz ZMEGUSQHQAEPFC-INIZCTEOSA-N 1 0 307.441 4.206 20 30 DIEDRO C=CC[N@@H+](C[C@@H](O)c1ccc(F)cc1F)CC1CCCCC1 ZINC000732668118 1057782931 /nfs/dbraw/zinc/78/29/31/1057782931.db2.gz XMNAZJWBFBQMCB-GOSISDBHSA-N 1 0 309.400 4.067 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000733322344 1057812322 /nfs/dbraw/zinc/81/23/22/1057812322.db2.gz HWSQTFSHCBJBPM-LJQANCHMSA-N 1 0 311.450 4.391 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](C)c2cccc(F)c2)cc1 ZINC000733325688 1057812573 /nfs/dbraw/zinc/81/25/73/1057812573.db2.gz QAIWUUFKLJOVKW-INIZCTEOSA-N 1 0 311.400 4.121 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](C)c2cccc(F)c2)cc1 ZINC000733325690 1057813063 /nfs/dbraw/zinc/81/30/63/1057813063.db2.gz QAIWUUFKLJOVKW-MRXNPFEDSA-N 1 0 311.400 4.121 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)cc1 ZINC000733325557 1057813128 /nfs/dbraw/zinc/81/31/28/1057813128.db2.gz QWFVOFFDGXCZIE-MRXNPFEDSA-N 1 0 305.421 4.038 20 30 DIEDRO CC[NH+](CC)Cc1ccncc1-c1cccc(C2(C#N)CC2)c1 ZINC001244074928 1057859267 /nfs/dbraw/zinc/85/92/67/1057859267.db2.gz JTYKZOBOCAJZKR-UHFFFAOYSA-N 1 0 305.425 4.146 20 30 DIEDRO N#CC1(c2cccc(-c3ccc([C@H]4CCC[NH2+]4)c(F)c3)c2)CC1 ZINC001244077282 1057860601 /nfs/dbraw/zinc/86/06/01/1057860601.db2.gz YWFFFLUSLMVJAG-LJQANCHMSA-N 1 0 306.384 4.472 20 30 DIEDRO Cc1ncc(C2CC2)cc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001244144585 1057885639 /nfs/dbraw/zinc/88/56/39/1057885639.db2.gz OFUMLQCKIWOIBG-UHFFFAOYSA-N 1 0 317.436 4.079 20 30 DIEDRO N#Cc1ccc(-c2ccc([C@H]3CCC[NH2+]3)c(F)c2)c(Cl)c1 ZINC001244329254 1057934699 /nfs/dbraw/zinc/93/46/99/1057934699.db2.gz PKXQDWCYDSPQMK-QGZVFWFLSA-N 1 0 300.764 4.442 20 30 DIEDRO Cc1ccc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)cc1C#N ZINC001244494278 1057974983 /nfs/dbraw/zinc/97/49/83/1057974983.db2.gz RXPHLEDEGZYVPH-NHCUHLMSSA-N 1 0 320.436 4.320 20 30 DIEDRO COc1ccc(-c2ccc(C)c(C#N)c2)cc1C[NH+]1CCCC1 ZINC001244494132 1057975011 /nfs/dbraw/zinc/97/50/11/1057975011.db2.gz FYMPXLSISPAYNM-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO N#Cc1ccc(F)c(-c2ccc(SC3CC[NH2+]CC3)cc2)c1 ZINC001244558806 1057995446 /nfs/dbraw/zinc/99/54/46/1057995446.db2.gz DPEWQNJWPUVKCR-UHFFFAOYSA-N 1 0 312.413 4.208 20 30 DIEDRO N#Cc1ccc(F)c(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001244557857 1057995635 /nfs/dbraw/zinc/99/56/35/1057995635.db2.gz AVXSPFMOBQXROY-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO COc1ccc(-c2ccc(C3CC[NH+](C)CC3)cc2)cc1C#N ZINC001244710675 1058032363 /nfs/dbraw/zinc/03/23/63/1058032363.db2.gz KRFLBSUVMKLIJD-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO Cc1c(C#N)cccc1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001244820593 1058052740 /nfs/dbraw/zinc/05/27/40/1058052740.db2.gz VDHQQRQXNBSCFC-UHFFFAOYSA-N 1 0 308.450 4.378 20 30 DIEDRO C[NH2+]Cc1cccc(-c2nc3c(cc2C#N)CCCC3(C)C)c1F ZINC001244859089 1058058690 /nfs/dbraw/zinc/05/86/90/1058058690.db2.gz ORQZGDYAEAIKMJ-UHFFFAOYSA-N 1 0 323.415 4.093 20 30 DIEDRO CCc1cc(-c2ccc(COC3CC[NH2+]CC3)cc2)ccc1C#N ZINC001244951631 1058079161 /nfs/dbraw/zinc/07/91/61/1058079161.db2.gz CGCGTHVBWOSCDB-UHFFFAOYSA-N 1 0 320.436 4.056 20 30 DIEDRO N#Cc1cccc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c1F ZINC001245068555 1058106431 /nfs/dbraw/zinc/10/64/31/1058106431.db2.gz JQQJDFIJFLUTAB-UHFFFAOYSA-N 1 0 304.368 4.012 20 30 DIEDRO N#Cc1cccc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)c1F ZINC001245069315 1058106520 /nfs/dbraw/zinc/10/65/20/1058106520.db2.gz PZNGZMRAQMHFKC-RTBURBONSA-N 1 0 324.399 4.151 20 30 DIEDRO N#Cc1cccc(-c2ccc(SC3CC[NH2+]CC3)cc2)c1F ZINC001245072157 1058107212 /nfs/dbraw/zinc/10/72/12/1058107212.db2.gz FSSNXKCZRUOTIQ-UHFFFAOYSA-N 1 0 312.413 4.208 20 30 DIEDRO CC(C)c1ccc(C#N)c(-c2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001245337701 1058146237 /nfs/dbraw/zinc/14/62/37/1058146237.db2.gz OJYLLZQEUFFIPG-UHFFFAOYSA-N 1 0 323.440 4.074 20 30 DIEDRO N#Cc1c(C(F)(F)F)ccnc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245347614 1058149127 /nfs/dbraw/zinc/14/91/27/1058149127.db2.gz SFEAAMHUBYRZBD-OAHLLOKOSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1nc2c(cccc2-c2ccc([C@H]3CCC[NH2+]3)cc2)s1 ZINC001245359602 1058152163 /nfs/dbraw/zinc/15/21/63/1058152163.db2.gz WPSKFQWTEWACGP-OAHLLOKOSA-N 1 0 305.406 4.259 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(C2=CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001245426012 1058164739 /nfs/dbraw/zinc/16/47/39/1058164739.db2.gz LQPILRJTEVPKCE-SFTDATJTSA-N 1 0 324.468 4.218 20 30 DIEDRO N#Cc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)cc1 ZINC001245497049 1058186049 /nfs/dbraw/zinc/18/60/49/1058186049.db2.gz MLYGGSDESPJURQ-SFHVURJKSA-N 1 0 314.392 4.040 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(NC(C)=O)nc2)cc1 ZINC001245516022 1058193863 /nfs/dbraw/zinc/19/38/63/1058193863.db2.gz IEKHDLRNKBEPSS-LJQANCHMSA-N 1 0 321.424 4.030 20 30 DIEDRO N#Cc1ccc2c(c1)nccc2-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245523279 1058197216 /nfs/dbraw/zinc/19/72/16/1058197216.db2.gz BEEXXESHVVTALL-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001545434672 1058200451 /nfs/dbraw/zinc/20/04/51/1058200451.db2.gz JRTMBFRMHNREOY-FHWLQOOXSA-N 1 0 322.537 4.316 20 30 DIEDRO N#Cc1cc2[nH]ccc2c(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001245527448 1058204558 /nfs/dbraw/zinc/20/45/58/1058204558.db2.gz XHEMGAYYNSOIOY-UHFFFAOYSA-N 1 0 301.393 4.174 20 30 DIEDRO CCCCCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001545471532 1058204501 /nfs/dbraw/zinc/20/45/01/1058204501.db2.gz HCVCAUPSXQRBEU-OTWHNJEPSA-N 1 0 322.537 4.364 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1cc(C)ccc1C#N ZINC001245605935 1058283140 /nfs/dbraw/zinc/28/31/40/1058283140.db2.gz NOBBODFPAWLFQJ-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO CCCCCCCC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC001517776820 1058285854 /nfs/dbraw/zinc/28/58/54/1058285854.db2.gz PDPNEFIXLGGUGJ-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO C=CC(C)(C)CC(=O)N(C[C@H](C)[NH+](C)C)c1c(C)cccc1C ZINC001528354708 1058400682 /nfs/dbraw/zinc/40/06/82/1058400682.db2.gz XDFAWXNWHOTVRV-KRWDZBQOSA-N 1 0 316.489 4.189 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001528766868 1058512099 /nfs/dbraw/zinc/51/20/99/1058512099.db2.gz YDHHCSRCCQOWQU-ROUUACIJSA-N 1 0 310.526 4.314 20 30 DIEDRO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCCC1 ZINC001556397225 1058585984 /nfs/dbraw/zinc/58/59/84/1058585984.db2.gz LIQPABPHXGLSFC-SFHVURJKSA-N 1 0 318.505 4.036 20 30 DIEDRO N#CCc1ccc(C(F)(F)F)cc1-c1ccc2c[nH+]cn2c1 ZINC001245895609 1058603715 /nfs/dbraw/zinc/60/37/15/1058603715.db2.gz CGBIJYMGAFMVOG-UHFFFAOYSA-N 1 0 301.271 4.086 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2ncccc2C#C[Si](C)(C)C)cc1 ZINC001245907993 1058611278 /nfs/dbraw/zinc/61/12/78/1058611278.db2.gz GXUCTDMCGZEKGO-UHFFFAOYSA-N 1 0 308.501 4.171 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2ccccc2C2(C#N)CCOCC2)cc1 ZINC001245911107 1058613426 /nfs/dbraw/zinc/61/34/26/1058613426.db2.gz FLRDAGATKBBJDC-UHFFFAOYSA-N 1 0 320.436 4.119 20 30 DIEDRO C=CCCCCCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001556898364 1058667330 /nfs/dbraw/zinc/66/73/30/1058667330.db2.gz FRCCAAMWWJYAGE-GOSISDBHSA-N 1 0 306.494 4.036 20 30 DIEDRO CCCCCCC[NH+]1CC2(CCN2CCCC(F)(F)F)C1 ZINC001278435103 1058731386 /nfs/dbraw/zinc/73/13/86/1058731386.db2.gz FDQFFPKUPZGWGQ-UHFFFAOYSA-N 1 0 306.416 4.059 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246319300 1058829787 /nfs/dbraw/zinc/82/97/87/1058829787.db2.gz VRLKVMRVFAHMAB-TXPKVOOTSA-N 1 0 316.489 4.069 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246319297 1058831362 /nfs/dbraw/zinc/83/13/62/1058831362.db2.gz VRLKVMRVFAHMAB-FCEWJHQRSA-N 1 0 316.489 4.069 20 30 DIEDRO C=CCCC[C@@H](NC(=O)[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC001558133830 1058842225 /nfs/dbraw/zinc/84/22/25/1058842225.db2.gz VVIRQIQBNCRRQD-QZTJIDSGSA-N 1 0 314.473 4.073 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246337344 1058846117 /nfs/dbraw/zinc/84/61/17/1058846117.db2.gz RWIVZPUMSLIBBQ-APWZRJJASA-N 1 0 316.395 4.214 20 30 DIEDRO C=C[C@@H](N[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246485916 1058964446 /nfs/dbraw/zinc/96/44/46/1058964446.db2.gz BSUZRYPUCNPNIJ-HMXCVIKNSA-N 1 0 324.443 4.444 20 30 DIEDRO CCCCCCCC[C@H](CCC)[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246706145 1059068886 /nfs/dbraw/zinc/06/88/86/1059068886.db2.gz QKEYGLBFXUJDJL-KRWDZBQOSA-N 1 0 321.509 4.110 20 30 DIEDRO CCCCCCC[N@H+](C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246781107 1059082782 /nfs/dbraw/zinc/08/27/82/1059082782.db2.gz XJUQOHBIARQTQZ-UXHICEINSA-N 1 0 302.506 4.252 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246838029 1059118845 /nfs/dbraw/zinc/11/88/45/1059118845.db2.gz ACJBVCNSQCKJSL-RTWAWAEBSA-N 1 0 306.453 4.168 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCN[C@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922060 1059177173 /nfs/dbraw/zinc/17/71/73/1059177173.db2.gz UXRAVSUBOOUNQG-AEFFLSMTSA-N 1 0 304.453 4.214 20 30 DIEDRO CCCCCCC[C@@H](CC)N(Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC001246956819 1059206846 /nfs/dbraw/zinc/20/68/46/1059206846.db2.gz AJIHWKOQKRWHJE-UXHICEINSA-N 1 0 317.521 4.385 20 30 DIEDRO C=C(C)[C@@H]1CC=C(c2nc3ccccc3n2[C@@H]2CC[NH2+]C2)CC1 ZINC001247047863 1059270875 /nfs/dbraw/zinc/27/08/75/1059270875.db2.gz DWGFCDLPDRVZHZ-NVXWUHKLSA-N 1 0 307.441 4.330 20 30 DIEDRO COc1ccc(CCC[N@H+](C)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001559494603 1059272679 /nfs/dbraw/zinc/27/26/79/1059272679.db2.gz JSXIXTGJOKVTIE-UHFFFAOYSA-N 1 0 322.452 4.248 20 30 DIEDRO CC(C)C[N@H+](CCc1ccccc1)Cc1ccc(F)cc1C#N ZINC001559500673 1059282664 /nfs/dbraw/zinc/28/26/64/1059282664.db2.gz JBUXHENHARUARQ-UHFFFAOYSA-N 1 0 310.416 4.398 20 30 DIEDRO C#CC[N@@H+](C[C@H](OC)C1CCCCC1)[C@H]1CCc2ccccc21 ZINC001559499209 1059284682 /nfs/dbraw/zinc/28/46/82/1059284682.db2.gz LTWFDHGXPKSIFM-SFTDATJTSA-N 1 0 311.469 4.204 20 30 DIEDRO CC(C)C[N@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)s1 ZINC001559506024 1059296679 /nfs/dbraw/zinc/29/66/79/1059296679.db2.gz ROVBZCHDRYOTSP-UHFFFAOYSA-N 1 0 316.445 4.460 20 30 DIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC(F)(F)C1 ZINC001559505918 1059298680 /nfs/dbraw/zinc/29/86/80/1059298680.db2.gz RARCFGMAXBKNQV-KRWDZBQOSA-N 1 0 306.400 4.452 20 30 DIEDRO Cc1ccccc1[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001559512337 1059308323 /nfs/dbraw/zinc/30/83/23/1059308323.db2.gz PRBHXUOBCLFLOI-IBGZPJMESA-N 1 0 320.436 4.125 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC001531541245 1059349862 /nfs/dbraw/zinc/34/98/62/1059349862.db2.gz XVQVERBSQMZVPY-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO CCC[N@H+](CCc1ccc(C#N)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001559550790 1059360212 /nfs/dbraw/zinc/36/02/12/1059360212.db2.gz RKZFGFFHFKRVLQ-MOPGFXCFSA-N 1 0 314.473 4.016 20 30 DIEDRO CCC#C[C@@H](C)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001559556161 1059372622 /nfs/dbraw/zinc/37/26/22/1059372622.db2.gz UCEMLYXGIQKXKR-CQSZACIVSA-N 1 0 320.274 4.214 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC001559558505 1059375940 /nfs/dbraw/zinc/37/59/40/1059375940.db2.gz XRKKVDIFYMZTLF-HNNXBMFYSA-N 1 0 308.400 4.434 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001531655710 1059384116 /nfs/dbraw/zinc/38/41/16/1059384116.db2.gz GODICBGQTZEWED-PXNSSMCTSA-N 1 0 322.537 4.364 20 30 DIEDRO C[C@@H]([N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1)C1(C)CC1 ZINC001559588493 1059422938 /nfs/dbraw/zinc/42/29/38/1059422938.db2.gz BYHFNSOLSRIJAQ-CYBMUJFWSA-N 1 0 311.347 4.057 20 30 DIEDRO COc1ccc(C[C@H]2CC[N@@H+]2CCCCC2(C#N)CCC2)cc1 ZINC001559593262 1059427197 /nfs/dbraw/zinc/42/71/97/1059427197.db2.gz XBDCOZCYUBDYDY-GOSISDBHSA-N 1 0 312.457 4.176 20 30 DIEDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCOc1ccccc1C#N ZINC001559596873 1059430859 /nfs/dbraw/zinc/43/08/59/1059430859.db2.gz SIKVLIKJWYUYOW-NRFANRHFSA-N 1 0 320.436 4.192 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(C)c(F)c1 ZINC001559680957 1059509101 /nfs/dbraw/zinc/50/91/01/1059509101.db2.gz RJXRQTKSPAMSIN-GOSISDBHSA-N 1 0 300.352 4.386 20 30 DIEDRO C#CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@H]1C ZINC001559688074 1059516164 /nfs/dbraw/zinc/51/61/64/1059516164.db2.gz GFFJTVCXCRBSJA-SJLPKXTDSA-N 1 0 315.457 4.108 20 30 DIEDRO Cc1cccc(C(C)(C)[NH2+]CCCOc2cccc(C#N)c2)c1 ZINC001559692706 1059521467 /nfs/dbraw/zinc/52/14/67/1059521467.db2.gz OZYIQJHJRMZTNF-UHFFFAOYSA-N 1 0 308.425 4.161 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC001559696083 1059527170 /nfs/dbraw/zinc/52/71/70/1059527170.db2.gz ONDQUKYIOYUSSN-MSOLQXFVSA-N 1 0 307.865 4.488 20 30 DIEDRO C=CCCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001559700129 1059529130 /nfs/dbraw/zinc/52/91/30/1059529130.db2.gz MGNLZBOTXWFJRU-QGZVFWFLSA-N 1 0 310.445 4.007 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(C)c(F)c1 ZINC001559709041 1059538346 /nfs/dbraw/zinc/53/83/46/1059538346.db2.gz ONYKCBSGWSWAPE-IBGZPJMESA-N 1 0 312.388 4.277 20 30 DIEDRO C[C@@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC001559717722 1059545023 /nfs/dbraw/zinc/54/50/23/1059545023.db2.gz WJFHPEUITKMJSE-JXFKEZNVSA-N 1 0 312.457 4.148 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001559730630 1059560667 /nfs/dbraw/zinc/56/06/67/1059560667.db2.gz LSQGSMDGWRGFCK-CYBMUJFWSA-N 1 0 305.397 4.497 20 30 DIEDRO CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001559741551 1059572504 /nfs/dbraw/zinc/57/25/04/1059572504.db2.gz PJTMHUVYIQMLQF-KKSFZXQISA-N 1 0 322.452 4.283 20 30 DIEDRO N#CCC1(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001559743805 1059579222 /nfs/dbraw/zinc/57/92/22/1059579222.db2.gz UXJXJDYEEMEXMH-CQSZACIVSA-N 1 0 308.347 4.189 20 30 DIEDRO Cc1cc(C)c2c(c1)C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC001559763010 1059601247 /nfs/dbraw/zinc/60/12/47/1059601247.db2.gz ZULGWNAONCYAOR-UHFFFAOYSA-N 1 0 309.840 4.367 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)cc1C#N ZINC001559769155 1059603662 /nfs/dbraw/zinc/60/36/62/1059603662.db2.gz TXCQNIODTIMEIU-CYBMUJFWSA-N 1 0 307.422 4.327 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001559773481 1059609962 /nfs/dbraw/zinc/60/99/62/1059609962.db2.gz PHQCPGYBOMRUBW-JKIFEVAISA-N 1 0 309.375 4.471 20 30 DIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001559773183 1059610151 /nfs/dbraw/zinc/61/01/51/1059610151.db2.gz LDWLIUOQUWYXNU-MJGOQNOKSA-N 1 0 300.446 4.276 20 30 DIEDRO CCCCCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001559781707 1059616638 /nfs/dbraw/zinc/61/66/38/1059616638.db2.gz OPRQTMDKWCXELR-QGZVFWFLSA-N 1 0 304.478 4.108 20 30 DIEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2ccc(C)cc2C)CCCC1(C)C ZINC001559797070 1059631277 /nfs/dbraw/zinc/63/12/77/1059631277.db2.gz FSXWKEJQEIKJDQ-GOSISDBHSA-N 1 0 314.473 4.309 20 30 DIEDRO C=CC[C@@H]1[N@H+](CCN(C)Cc2ccccc2)CCCC1(C)C ZINC001559797363 1059631400 /nfs/dbraw/zinc/63/14/00/1059631400.db2.gz OFQVEXICCMTDQP-IBGZPJMESA-N 1 0 300.490 4.185 20 30 DIEDRO C=CCN(C)CC[N@@H+](CC)Cc1ccc(C2CCCC2)cc1 ZINC001559797351 1059631508 /nfs/dbraw/zinc/63/15/08/1059631508.db2.gz NVZBJODQCDWIJW-UHFFFAOYSA-N 1 0 300.490 4.284 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2cccc(Br)n2)CCCC1(C)C ZINC001559797077 1059632106 /nfs/dbraw/zinc/63/21/06/1059632106.db2.gz GBDGYABIELPHAI-CQSZACIVSA-N 1 0 323.278 4.411 20 30 DIEDRO C=CC[C@H]1[N@H+](C[C@@H](O)c2ccc(F)cc2C)CCCC1(C)C ZINC001559797258 1059632401 /nfs/dbraw/zinc/63/24/01/1059632401.db2.gz LNJLSVTZRWJGNB-QZTJIDSGSA-N 1 0 305.437 4.234 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)Cc1nc(C2CCCCC2)cs1 ZINC001559796538 1059633656 /nfs/dbraw/zinc/63/36/56/1059633656.db2.gz NLZAPWNJGNLPMG-UHFFFAOYSA-N 1 0 321.534 4.131 20 30 DIEDRO C#CCOCC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)C(CC)CC ZINC001559802971 1059638924 /nfs/dbraw/zinc/63/89/24/1059638924.db2.gz RBNFKYOPAWUWCT-GOSISDBHSA-N 1 0 307.865 4.399 20 30 DIEDRO CCCC1CCC([N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001559807395 1059644505 /nfs/dbraw/zinc/64/45/05/1059644505.db2.gz BUZXUOXFGWQFKN-UHFFFAOYSA-N 1 0 315.417 4.257 20 30 DIEDRO C=C(C)[C@H](CO)[NH+]1CCC(CC)(c2ccc(Cl)cc2)CC1 ZINC001559810557 1059645530 /nfs/dbraw/zinc/64/55/30/1059645530.db2.gz PGEZMGZWUYVEDD-KRWDZBQOSA-N 1 0 307.865 4.021 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCC[C@@H]1COC(=O)NC(C)C ZINC001559815415 1059653030 /nfs/dbraw/zinc/65/30/30/1059653030.db2.gz DYJFYJHRKRKLFT-QGZVFWFLSA-N 1 0 312.498 4.336 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](C)C1CCCCC1 ZINC001559831198 1059663910 /nfs/dbraw/zinc/66/39/10/1059663910.db2.gz NQHSCDBIEZIVTO-INIZCTEOSA-N 1 0 305.462 4.366 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccc(C#N)cc1 ZINC001559831849 1059664123 /nfs/dbraw/zinc/66/41/23/1059664123.db2.gz GCFYYPQWOFOTSN-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[NH+]1CCCCCCCC1 ZINC001559841544 1059671129 /nfs/dbraw/zinc/67/11/29/1059671129.db2.gz NFWPTXAQCUGYBT-UHFFFAOYSA-N 1 0 306.837 4.399 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]CCOc1ccc(Oc2ccccc2)cc1 ZINC001559851154 1059676899 /nfs/dbraw/zinc/67/68/99/1059676899.db2.gz BLSCTMIOWYQZPL-HXUWFJFHSA-N 1 0 309.409 4.249 20 30 DIEDRO CCCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCC[C@@H](C)C1 ZINC001559870595 1059689758 /nfs/dbraw/zinc/68/97/58/1059689758.db2.gz BOSJXBUOJIEMPD-FGTMMUONSA-N 1 0 306.494 4.112 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC001559868401 1059690378 /nfs/dbraw/zinc/69/03/78/1059690378.db2.gz QLTCIQBDIANPGY-GUXCAODWSA-N 1 0 320.436 4.333 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)CCOc1ccccc1C#N ZINC001559879428 1059699526 /nfs/dbraw/zinc/69/95/26/1059699526.db2.gz JGSIHHRQWZALQS-GOSISDBHSA-N 1 0 324.424 4.029 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccn1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911571 1059727572 /nfs/dbraw/zinc/72/75/72/1059727572.db2.gz MOOSGWYLLNUEMA-WOJBJXKFSA-N 1 0 305.425 4.111 20 30 DIEDRO C=CC(C)(C)CC(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC001532862681 1059730676 /nfs/dbraw/zinc/73/06/76/1059730676.db2.gz VYMJIRRSZDUUJQ-UHFFFAOYSA-N 1 0 322.518 4.021 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+]C2(c3ccccc3F)CCC2)c1 ZINC001559940917 1059756801 /nfs/dbraw/zinc/75/68/01/1059756801.db2.gz FTDRSNIPICTAIV-UHFFFAOYSA-N 1 0 324.399 4.135 20 30 DIEDRO C=CCCCC[N@H+]1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001559962494 1059770260 /nfs/dbraw/zinc/77/02/60/1059770260.db2.gz QLEYVEVWEYBSIF-GBESFXJTSA-N 1 0 300.490 4.326 20 30 DIEDRO C[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1CCCSCC#N ZINC001559964357 1059771962 /nfs/dbraw/zinc/77/19/62/1059771962.db2.gz SGXUUWVTRBSWCB-QGZVFWFLSA-N 1 0 322.905 4.384 20 30 DIEDRO CC(C)([NH2+]Cc1ccc2ccccc2n1)c1cccc(C#N)c1 ZINC001559991789 1059798576 /nfs/dbraw/zinc/79/85/76/1059798576.db2.gz HGKCMIDHDSVWEK-UHFFFAOYSA-N 1 0 301.393 4.131 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C)c(F)c1 ZINC001559993566 1059803206 /nfs/dbraw/zinc/80/32/06/1059803206.db2.gz ZZWPHGMGDSFZQQ-YJBOKZPZSA-N 1 0 318.436 4.187 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC/C=C/c1cncc(OC)c1 ZINC001559994295 1059803347 /nfs/dbraw/zinc/80/33/47/1059803347.db2.gz ZIEGEWSGDCBMPA-VYYLWUJASA-N 1 0 300.446 4.218 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001560006543 1059812238 /nfs/dbraw/zinc/81/22/38/1059812238.db2.gz HILISNMELQHALC-GDBMZVCRSA-N 1 0 315.379 4.481 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C(C)(C)C ZINC001560005597 1059812463 /nfs/dbraw/zinc/81/24/63/1059812463.db2.gz LHWSYIOJVSITNY-UHFFFAOYSA-N 1 0 312.816 4.094 20 30 DIEDRO C[C@@H]1CCC[C@H](CC[NH+]2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC001560026010 1059842653 /nfs/dbraw/zinc/84/26/53/1059842653.db2.gz VIEPMAWKCWFKCX-IAGOWNOFSA-N 1 0 311.473 4.349 20 30 DIEDRO CCCOc1cccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC001560043116 1059858796 /nfs/dbraw/zinc/85/87/96/1059858796.db2.gz NSSWGUPPINLBLT-UHFFFAOYSA-N 1 0 320.436 4.100 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001560053075 1059867535 /nfs/dbraw/zinc/86/75/35/1059867535.db2.gz AWUYWMHLANOYGU-JKSUJKDBSA-N 1 0 312.498 4.334 20 30 DIEDRO C[N@H+](CCCOc1cccc(C(C)(C)C)c1)[C@H]1CCC[C@@H]1C#N ZINC001560060578 1059875475 /nfs/dbraw/zinc/87/54/75/1059875475.db2.gz QMECYVOYXBIOSP-APWZRJJASA-N 1 0 314.473 4.377 20 30 DIEDRO CCCCCCC[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001560133644 1059936064 /nfs/dbraw/zinc/93/60/64/1059936064.db2.gz FUMPCHNPEAYYTO-INIZCTEOSA-N 1 0 312.498 4.288 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)c(Cl)c1 ZINC001560152554 1059949015 /nfs/dbraw/zinc/94/90/15/1059949015.db2.gz YRUBMIPFIQTLRF-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO C#CC[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C(C)(C)C ZINC001560155994 1059953035 /nfs/dbraw/zinc/95/30/35/1059953035.db2.gz ACXKCHOOQFWOOH-UHFFFAOYSA-N 1 0 302.805 4.229 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+](CC)Cc1ccc(OC)cc1 ZINC001248752559 1059963436 /nfs/dbraw/zinc/96/34/36/1059963436.db2.gz QKHFLTNMSQJLBB-UHFFFAOYSA-N 1 0 308.425 4.151 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001560186115 1059973530 /nfs/dbraw/zinc/97/35/30/1059973530.db2.gz ITXFIILRCILUOW-ZDUSSCGKSA-N 1 0 315.383 4.255 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc(OCc2ccncc2)cc1 ZINC001560204190 1059983190 /nfs/dbraw/zinc/98/31/90/1059983190.db2.gz AXDXEPSBTBAJMD-UHFFFAOYSA-N 1 0 310.441 4.449 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)cc1F ZINC001560217600 1059993270 /nfs/dbraw/zinc/99/32/70/1059993270.db2.gz ZJGIUAYTCYDWDX-GOSISDBHSA-N 1 0 324.399 4.000 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001525703313 1059995993 /nfs/dbraw/zinc/99/59/93/1059995993.db2.gz SXKINYVPIZNDPI-OTWHNJEPSA-N 1 0 322.537 4.458 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)N(CC)CC)C1 ZINC001560248731 1060011927 /nfs/dbraw/zinc/01/19/27/1060011927.db2.gz FWWZQQOJEVMXCY-HOJAQTOUSA-N 1 0 300.490 4.404 20 30 DIEDRO CCCCCCCCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC001560252021 1060017637 /nfs/dbraw/zinc/01/76/37/1060017637.db2.gz IXKWLISLZJGPQD-UHFFFAOYSA-N 1 0 320.502 4.440 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cnn2ccc(Cl)nc12 ZINC001248876574 1060031620 /nfs/dbraw/zinc/03/16/20/1060031620.db2.gz YHERZPBMNOWIFU-UHFFFAOYSA-N 1 0 308.857 4.175 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1nccc2ccccc21)C(C)C ZINC001560261687 1060032194 /nfs/dbraw/zinc/03/21/94/1060032194.db2.gz DESNXDXNCSHESA-OAQYLSRUSA-N 1 0 323.484 4.023 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cnn2ccc(Cl)nc12 ZINC001248873524 1060034441 /nfs/dbraw/zinc/03/44/41/1060034441.db2.gz DPWBCORFRQMWHB-UHFFFAOYSA-N 1 0 308.857 4.175 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc2cccnc21 ZINC001560299548 1060083306 /nfs/dbraw/zinc/08/33/06/1060083306.db2.gz FZNVOMVKNKFCNL-UHFFFAOYSA-N 1 0 301.393 4.013 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](CC)c2ccccc2)cc1 ZINC001560302782 1060088686 /nfs/dbraw/zinc/08/86/86/1060088686.db2.gz LGJHOOPCEILXKA-LJQANCHMSA-N 1 0 307.437 4.372 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)C1 ZINC001560304696 1060092818 /nfs/dbraw/zinc/09/28/18/1060092818.db2.gz XMBNWVRRTSQGET-CABCVRRESA-N 1 0 320.864 4.311 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)C1 ZINC001560304697 1060093023 /nfs/dbraw/zinc/09/30/23/1060093023.db2.gz XMBNWVRRTSQGET-GJZGRUSLSA-N 1 0 320.864 4.311 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cc2c(s1)CCCC2 ZINC001560319253 1060104345 /nfs/dbraw/zinc/10/43/45/1060104345.db2.gz XJEPBPSELNHFKQ-UHFFFAOYSA-N 1 0 310.466 4.405 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)cc(OC)c1OC ZINC001560322295 1060109405 /nfs/dbraw/zinc/10/94/05/1060109405.db2.gz YTTBRYMWOOECNS-YOEHRIQHSA-N 1 0 317.473 4.347 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C/C=C/c1cc(C)c(C)cc1C ZINC001560338280 1060122450 /nfs/dbraw/zinc/12/24/50/1060122450.db2.gz RHKZYSDKPAYEDZ-CSKARUKUSA-N 1 0 319.448 4.427 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](C)c2ccc(C)cc2)cc1 ZINC001560342925 1060128124 /nfs/dbraw/zinc/12/81/24/1060128124.db2.gz LYZDCDUJDLDQOF-GOSISDBHSA-N 1 0 307.437 4.290 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(C)c2)C12CCCCC2 ZINC001560342581 1060128128 /nfs/dbraw/zinc/12/81/28/1060128128.db2.gz YZRLCJDKFXUUJV-MOPGFXCFSA-N 1 0 312.457 4.084 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2cc(Cl)ccc2OCC)cc1 ZINC001560401428 1060185591 /nfs/dbraw/zinc/18/55/91/1060185591.db2.gz WPVZCQTVNZNXBP-UHFFFAOYSA-N 1 0 313.828 4.052 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccccc1 ZINC001560406933 1060191034 /nfs/dbraw/zinc/19/10/34/1060191034.db2.gz XLKIZMCPYGOFHJ-QGZVFWFLSA-N 1 0 308.381 4.331 20 30 DIEDRO C=CCCC[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC001560461639 1060197030 /nfs/dbraw/zinc/19/70/30/1060197030.db2.gz NPXFMUKNIJOAHS-UHFFFAOYSA-N 1 0 306.606 4.297 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC001560414859 1060197860 /nfs/dbraw/zinc/19/78/60/1060197860.db2.gz OCZVYUMXBACGQP-APWZRJJASA-N 1 0 303.446 4.079 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001560415063 1060199764 /nfs/dbraw/zinc/19/97/64/1060199764.db2.gz WOFXUFTYBYYGDE-GFCCVEGCSA-N 1 0 307.235 4.155 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC001560415136 1060200554 /nfs/dbraw/zinc/20/05/54/1060200554.db2.gz YVWBYHJEOPZOMR-QGZVFWFLSA-N 1 0 310.441 4.495 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1c(Br)c2ccccc2n1C ZINC001560455083 1060246134 /nfs/dbraw/zinc/24/61/34/1060246134.db2.gz XTXGQKBDLILFEL-LBPRGKRZSA-N 1 0 321.262 4.385 20 30 DIEDRO N#Cc1ccc2cc(C[N@H+]3CC[C@@H](c4ccc(F)cc4)C3)[nH]c2c1 ZINC001249429474 1060245893 /nfs/dbraw/zinc/24/58/93/1060245893.db2.gz CVAPCPSBDNGMBK-QGZVFWFLSA-N 1 0 319.383 4.168 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)Cc2ccccc21 ZINC001249426478 1060248059 /nfs/dbraw/zinc/24/80/59/1060248059.db2.gz SQMJILWGWDJWGY-CQSZACIVSA-N 1 0 301.393 4.159 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CCCC[C@H]3c3cccnc3)[nH]c2c1 ZINC001249429383 1060248320 /nfs/dbraw/zinc/24/83/20/1060248320.db2.gz ZAPWYVMQOOXKOK-FQEVSTJZSA-N 1 0 316.408 4.162 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CCC[C@@H]3c3ccccc3)[nH]c2c1 ZINC001249429040 1060248373 /nfs/dbraw/zinc/24/83/73/1060248373.db2.gz KTXFHHSXFPLQTP-HXUWFJFHSA-N 1 0 301.393 4.377 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CCC[C@@H]3c3cccs3)[nH]c2c1 ZINC001249429064 1060248980 /nfs/dbraw/zinc/24/89/80/1060248980.db2.gz MBWUJEZFFQHPBP-QGZVFWFLSA-N 1 0 307.422 4.438 20 30 DIEDRO Cc1ccc(C2(C[NH2+]Cc3csc(C#N)c3)CCC2)cc1C ZINC001560457940 1060251093 /nfs/dbraw/zinc/25/10/93/1060251093.db2.gz VOLIDLCZQDWQMS-UHFFFAOYSA-N 1 0 310.466 4.448 20 30 DIEDRO COc1cc(C[NH2+]Cc2cccc(CC3CCC3)c2)ccc1C#N ZINC001560463701 1060254243 /nfs/dbraw/zinc/25/42/43/1060254243.db2.gz BBCIKASMIAQAAK-UHFFFAOYSA-N 1 0 320.436 4.199 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC001560473381 1060263032 /nfs/dbraw/zinc/26/30/32/1060263032.db2.gz IHRAZSRKFZFBCE-UHFFFAOYSA-N 1 0 314.791 4.216 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)cc1 ZINC001560477650 1060266777 /nfs/dbraw/zinc/26/67/77/1060266777.db2.gz SBCGPLFCKARZLO-UHFFFAOYSA-N 1 0 319.326 4.065 20 30 DIEDRO Oc1ccc(Oc2cccc(C[NH+]3CCC(S)CC3)c2)cc1 ZINC001249503639 1060267460 /nfs/dbraw/zinc/26/74/60/1060267460.db2.gz AFLSUVKONBBJTQ-UHFFFAOYSA-N 1 0 315.438 4.079 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc3occ(Br)c3c2)CC1 ZINC001249497522 1060268550 /nfs/dbraw/zinc/26/85/50/1060268550.db2.gz VUPFXWXGEGHXHT-UHFFFAOYSA-N 1 0 318.214 4.041 20 30 DIEDRO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001560503693 1060299238 /nfs/dbraw/zinc/29/92/38/1060299238.db2.gz AIRYJZHOBWBCIE-FXAWDEMLSA-N 1 0 319.452 4.332 20 30 DIEDRO C=C[C@@](C)(CC)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001534590463 1060312181 /nfs/dbraw/zinc/31/21/81/1060312181.db2.gz WKCQYGBQCDUFCT-FQEVSTJZSA-N 1 0 314.473 4.256 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C/C=C/c3ccc(F)cc3)CCC2)cc1 ZINC001560516627 1060315042 /nfs/dbraw/zinc/31/50/42/1060315042.db2.gz LJPGIJKPMKQNDD-HNQUOIGGSA-N 1 0 306.384 4.380 20 30 DIEDRO CC1([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC=CC1 ZINC001560518638 1060317000 /nfs/dbraw/zinc/31/70/00/1060317000.db2.gz CPKOGVYICXWAEA-UHFFFAOYSA-N 1 0 318.420 4.336 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001560526368 1060326427 /nfs/dbraw/zinc/32/64/27/1060326427.db2.gz NRKZLGAPDYIRCA-UHFFFAOYSA-N 1 0 305.487 4.189 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC001560526568 1060327713 /nfs/dbraw/zinc/32/77/13/1060327713.db2.gz WGHPGYMFBRAUFL-UHFFFAOYSA-N 1 0 324.399 4.145 20 30 DIEDRO Cc1cc2cc(C[NH2+]CCc3ccc(C#N)cc3)oc2cc1C ZINC001560532078 1060334387 /nfs/dbraw/zinc/33/43/87/1060334387.db2.gz TZAXUFGWWXXCPD-UHFFFAOYSA-N 1 0 304.393 4.254 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCCC1 ZINC001560533441 1060337347 /nfs/dbraw/zinc/33/73/47/1060337347.db2.gz QYDYAMYTYHNUGT-LJQANCHMSA-N 1 0 315.457 4.223 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1F ZINC001249685773 1060347845 /nfs/dbraw/zinc/34/78/45/1060347845.db2.gz QUJKMMSJKHKDNI-QGZVFWFLSA-N 1 0 308.400 4.152 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3cccc(C#N)c3F)C2)c1 ZINC001249692979 1060353307 /nfs/dbraw/zinc/35/33/07/1060353307.db2.gz GJZWMQDMPAAFST-QGZVFWFLSA-N 1 0 324.399 4.086 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@]12C[C@@H]1CCCC2 ZINC001560557172 1060367097 /nfs/dbraw/zinc/36/70/97/1060367097.db2.gz GEABYNVBQWRTBF-XKGZKEIXSA-N 1 0 312.457 4.428 20 30 DIEDRO CC(C)c1[nH+]c(CNc2cc(F)cc(C#N)c2)c2ccccn21 ZINC001560559388 1060368356 /nfs/dbraw/zinc/36/83/56/1060368356.db2.gz XJPWAKMUCABWBI-UHFFFAOYSA-N 1 0 308.360 4.081 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001560578055 1060390980 /nfs/dbraw/zinc/39/09/80/1060390980.db2.gz VAAQYKICOHPTLD-SHTZXODSSA-N 1 0 324.380 4.136 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001560579084 1060395210 /nfs/dbraw/zinc/39/52/10/1060395210.db2.gz WMNBODDBKJVYIH-MJGOQNOKSA-N 1 0 300.490 4.089 20 30 DIEDRO CCOc1cccc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC001560597460 1060409441 /nfs/dbraw/zinc/40/94/41/1060409441.db2.gz PNYXOTPYOIIGRX-UHFFFAOYSA-N 1 0 308.425 4.068 20 30 DIEDRO Cc1ccc2cc(C[NH2+]C(C)(C)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC001560597639 1060410445 /nfs/dbraw/zinc/41/04/45/1060410445.db2.gz VTFILJNFWJMVKQ-UHFFFAOYSA-N 1 0 317.436 4.459 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCC=CCCC2)cc1 ZINC001560615332 1060430607 /nfs/dbraw/zinc/43/06/07/1060430607.db2.gz NBOVJRSAWSPCLT-GOSISDBHSA-N 1 0 311.473 4.263 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)ccc1C#N ZINC001560631895 1060444309 /nfs/dbraw/zinc/44/43/09/1060444309.db2.gz LGBWUSYPAWAXDE-UZLBHIALSA-N 1 0 320.436 4.192 20 30 DIEDRO CCCCCCCC(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC001527132888 1060445577 /nfs/dbraw/zinc/44/55/77/1060445577.db2.gz BQTBABIQFXYKLW-GOSISDBHSA-N 1 0 316.489 4.257 20 30 DIEDRO COc1cc(C[N@H+](C)Cc2ccc(C(C)C)cc2)ccc1C#N ZINC001560634606 1060447308 /nfs/dbraw/zinc/44/73/08/1060447308.db2.gz CFWPEADXMLGOBI-UHFFFAOYSA-N 1 0 308.425 4.322 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCc2ccccc21 ZINC001560646794 1060471594 /nfs/dbraw/zinc/47/15/94/1060471594.db2.gz JCLDYSOMYJOKST-CEMLEFRQSA-N 1 0 316.448 4.488 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1CCCCC1 ZINC001560657535 1060479620 /nfs/dbraw/zinc/47/96/20/1060479620.db2.gz QDCIJIOUWYGBGN-UHFFFAOYSA-N 1 0 311.347 4.195 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)ccc1C#N ZINC001560660667 1060484300 /nfs/dbraw/zinc/48/43/00/1060484300.db2.gz WTNATSXMGZCSSA-HXUWFJFHSA-N 1 0 320.436 4.164 20 30 DIEDRO COc1ccc2cc(C[N@H+](C)Cc3csc(C#N)c3)ccc2c1 ZINC001560669909 1060500998 /nfs/dbraw/zinc/50/09/98/1060500998.db2.gz JPAWYPRTXPQXAT-UHFFFAOYSA-N 1 0 322.433 4.414 20 30 DIEDRO COc1cc(C[N@H+](Cc2ccccc2F)C2CCC2)ccc1C#N ZINC001560671357 1060502828 /nfs/dbraw/zinc/50/28/28/1060502828.db2.gz WYLAHPSTNDFTPJ-UHFFFAOYSA-N 1 0 324.399 4.261 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC001560674605 1060506232 /nfs/dbraw/zinc/50/62/32/1060506232.db2.gz GFDKPSOGYMDPFH-FQEVSTJZSA-N 1 0 311.473 4.169 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC(F)(F)F)c(OC)c1)C(C)(C)C ZINC001249992650 1060524092 /nfs/dbraw/zinc/52/40/92/1060524092.db2.gz CDLPFVJRESVDBN-UHFFFAOYSA-N 1 0 317.351 4.380 20 30 DIEDRO N#Cc1ccccc1CC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001250046271 1060566470 /nfs/dbraw/zinc/56/64/70/1060566470.db2.gz SDWCTSCUIAGBRT-YADHBBJMSA-N 1 0 314.432 4.464 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1F ZINC001560784644 1060647672 /nfs/dbraw/zinc/64/76/72/1060647672.db2.gz RYHYMBGYWJDJSO-JCNLHEQBSA-N 1 0 314.791 4.387 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC001560791295 1060652030 /nfs/dbraw/zinc/65/20/30/1060652030.db2.gz FWRQUPHGGDUSBW-SMDDNHRTSA-N 1 0 314.242 4.464 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2cc(F)c(OC)cc2OC)CCCC1(C)C ZINC001560793194 1060653591 /nfs/dbraw/zinc/65/35/91/1060653591.db2.gz IBAMNAPQXBRRFW-GOSISDBHSA-N 1 0 321.436 4.410 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC001560803190 1060664097 /nfs/dbraw/zinc/66/40/97/1060664097.db2.gz OXEQCWMTZKHNSG-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)Cc2coc3ccccc23)ccc1C#N ZINC001560813362 1060670875 /nfs/dbraw/zinc/67/08/75/1060670875.db2.gz WAEPZADMFOXDKN-CQSZACIVSA-N 1 0 320.392 4.034 20 30 DIEDRO C#C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1F ZINC001560825100 1060683817 /nfs/dbraw/zinc/68/38/17/1060683817.db2.gz AYUHDYNBGZMVEJ-LIRRHRJNSA-N 1 0 313.803 4.473 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(CCC)s1 ZINC001560825159 1060684005 /nfs/dbraw/zinc/68/40/05/1060684005.db2.gz DGJZDABBUUVCGJ-UHFFFAOYSA-N 1 0 319.470 4.364 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)CCc2cncc3ccccc32)cc1 ZINC001560840515 1060695450 /nfs/dbraw/zinc/69/54/50/1060695450.db2.gz SVIIGLGIZGQQJE-QGZVFWFLSA-N 1 0 314.432 4.327 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001560853400 1060710805 /nfs/dbraw/zinc/71/08/05/1060710805.db2.gz XSVYESHQUZBPAK-CVEARBPZSA-N 1 0 324.509 4.214 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+]CCc1cc2ccccc2s1 ZINC001560858134 1060717845 /nfs/dbraw/zinc/71/78/45/1060717845.db2.gz NFMKSIWAKCGQNZ-UHFFFAOYSA-N 1 0 310.397 4.244 20 30 DIEDRO C#C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC001560865011 1060725769 /nfs/dbraw/zinc/72/57/69/1060725769.db2.gz NVPFWTDUJKHBDR-QGZVFWFLSA-N 1 0 305.755 4.125 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nccc2ccccc21 ZINC001560886572 1060748401 /nfs/dbraw/zinc/74/84/01/1060748401.db2.gz GCZPRXSBAHXKJI-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)cc1 ZINC001560893318 1060757315 /nfs/dbraw/zinc/75/73/15/1060757315.db2.gz LIAKRSZUGNLGLJ-OAQYLSRUSA-N 1 0 307.412 4.404 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001560906115 1060766924 /nfs/dbraw/zinc/76/69/24/1060766924.db2.gz CGTPVZOFQHCKOX-FXUDXRNXSA-N 1 0 309.494 4.323 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]C1CC(C#N)(c3ccccc3)C1)CC2 ZINC001560913958 1060774314 /nfs/dbraw/zinc/77/43/14/1060774314.db2.gz VJOPTNKZFAXPST-VEDCXYSMSA-N 1 0 302.421 4.196 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001560927082 1060790185 /nfs/dbraw/zinc/79/01/85/1060790185.db2.gz GTACHJXNKHLMPW-CGTJXYLNSA-N 1 0 315.457 4.461 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl ZINC001560934726 1060796615 /nfs/dbraw/zinc/79/66/15/1060796615.db2.gz YPUKQAVIPXWFSQ-HNNXBMFYSA-N 1 0 316.272 4.497 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001560947845 1060813319 /nfs/dbraw/zinc/81/33/19/1060813319.db2.gz JHOBHPVTCFGUKI-GFCCVEGCSA-N 1 0 320.408 4.486 20 30 DIEDRO C=C1CCC(C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC001561000708 1060860728 /nfs/dbraw/zinc/86/07/28/1060860728.db2.gz AAUAMFIWBBALEX-OAHLLOKOSA-N 1 0 305.437 4.349 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC001561006631 1060864960 /nfs/dbraw/zinc/86/49/60/1060864960.db2.gz WIARCVLAJHOTRK-SFHVURJKSA-N 1 0 310.466 4.391 20 30 DIEDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC001561006630 1060865915 /nfs/dbraw/zinc/86/59/15/1060865915.db2.gz WIARCVLAJHOTRK-GOSISDBHSA-N 1 0 310.466 4.391 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001561014423 1060872903 /nfs/dbraw/zinc/87/29/03/1060872903.db2.gz RVRAYYFSRBWJSW-AWEZNQCLSA-N 1 0 312.379 4.228 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001561048350 1060898871 /nfs/dbraw/zinc/89/88/71/1060898871.db2.gz RWRXMJDEFYEFGU-SJORKVTESA-N 1 0 324.509 4.358 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CCCCC1(C#N)CCC1 ZINC001473200366 1060957065 /nfs/dbraw/zinc/95/70/65/1060957065.db2.gz DJAWICBSOYKIDF-QGZVFWFLSA-N 1 0 314.473 4.422 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)CCCCC1(C#N)CCC1 ZINC001473200365 1060960305 /nfs/dbraw/zinc/96/03/05/1060960305.db2.gz DJAWICBSOYKIDF-KRWDZBQOSA-N 1 0 314.473 4.422 20 30 DIEDRO N#Cc1ccc(F)c(-c2cccc(C[NH+]3CCCCC3)c2F)c1 ZINC001250635216 1060969647 /nfs/dbraw/zinc/96/96/47/1060969647.db2.gz SMQQNDUSRVHBGO-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO C#CC[N@@H+](CC)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC001473206568 1060974441 /nfs/dbraw/zinc/97/44/41/1060974441.db2.gz JJTRTFNQCXEJGV-UHFFFAOYSA-N 1 0 301.336 4.212 20 30 DIEDRO C=CCCC[NH2+]CC1(CCC)CCN(C(=O)OC(C)(C)C)CC1 ZINC001462177112 1060997121 /nfs/dbraw/zinc/99/71/21/1060997121.db2.gz ICCKMJAJNZXDFH-UHFFFAOYSA-N 1 0 324.509 4.360 20 30 DIEDRO CCC1(CC)CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473222677 1061002738 /nfs/dbraw/zinc/00/27/38/1061002738.db2.gz KFEYIGWLNHLNHX-UHFFFAOYSA-N 1 0 308.372 4.172 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001473238092 1061014602 /nfs/dbraw/zinc/01/46/02/1061014602.db2.gz WGWQBBRMYUCLCV-IAGOWNOFSA-N 1 0 320.864 4.237 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1)C(C)C ZINC001462212113 1061030388 /nfs/dbraw/zinc/03/03/88/1061030388.db2.gz QYSVNLYGXQVYEG-YJBOKZPZSA-N 1 0 307.865 4.443 20 30 DIEDRO C=CCCCCCC[NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC001462214145 1061031669 /nfs/dbraw/zinc/03/16/69/1061031669.db2.gz FQDYYBSXELUBAZ-WUJZJPHMSA-N 1 0 322.493 4.158 20 30 DIEDRO C#CCCCCCC[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC001462228258 1061042402 /nfs/dbraw/zinc/04/24/02/1061042402.db2.gz DZYMHSBCELXUJP-UHFFFAOYSA-N 1 0 300.421 4.413 20 30 DIEDRO CCCCCCCC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001462241601 1061049156 /nfs/dbraw/zinc/04/91/56/1061049156.db2.gz GOUUMRLXNHTWSN-GOSISDBHSA-N 1 0 308.510 4.260 20 30 DIEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC001473274311 1061049275 /nfs/dbraw/zinc/04/92/75/1061049275.db2.gz UWBJXGQDADLSOA-MSOLQXFVSA-N 1 0 300.446 4.132 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001462246608 1061050431 /nfs/dbraw/zinc/05/04/31/1061050431.db2.gz FNUIZJXLHLNWOI-OAHLLOKOSA-N 1 0 324.509 4.214 20 30 DIEDRO N#Cc1cncc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)c1 ZINC001473281092 1061051979 /nfs/dbraw/zinc/05/19/79/1061051979.db2.gz LDBHKBYQBUJVSU-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO C=CCCC[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC001473299398 1061065879 /nfs/dbraw/zinc/06/58/79/1061065879.db2.gz JPMGEYOWBSAYGG-UHFFFAOYSA-N 1 0 318.464 4.340 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)cc1F ZINC001462273599 1061066877 /nfs/dbraw/zinc/06/68/77/1061066877.db2.gz IPOVBXDLUPPTMY-MOPGFXCFSA-N 1 0 308.400 4.371 20 30 DIEDRO C#C[C@H]([NH2+]C1CC(c2cccc(OC)c2)C1)c1ccc(F)cc1 ZINC001462276447 1061068629 /nfs/dbraw/zinc/06/86/29/1061068629.db2.gz JRSSBVNPRRDGRT-NLPFYKDJSA-N 1 0 309.384 4.044 20 30 DIEDRO C=CCCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001473306779 1061070542 /nfs/dbraw/zinc/07/05/42/1061070542.db2.gz XSACSVFITFLSKR-SFHVURJKSA-N 1 0 322.443 4.436 20 30 DIEDRO C[C@H](CCO)[N@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC001473307057 1061071484 /nfs/dbraw/zinc/07/14/84/1061071484.db2.gz FJVZMOPWTRCBAA-GOSISDBHSA-N 1 0 314.473 4.124 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1C[C@@H](OCC)C12CCCCC2)c1ccc(F)cc1 ZINC001462282408 1061077008 /nfs/dbraw/zinc/07/70/08/1061077008.db2.gz XHACNZWHBLCVRA-GBESFXJTSA-N 1 0 315.432 4.218 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001473319491 1061084980 /nfs/dbraw/zinc/08/49/80/1061084980.db2.gz UXHHMGKKAFXMDU-UXHICEINSA-N 1 0 311.425 4.230 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1)C(C)(C)C ZINC001462295287 1061085277 /nfs/dbraw/zinc/08/52/77/1061085277.db2.gz JMCNGCKHUBSTTB-BBRMVZONSA-N 1 0 309.400 4.247 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1)C(C)(C)C ZINC001462295380 1061085683 /nfs/dbraw/zinc/08/56/83/1061085683.db2.gz KPVCFARXXIYJOV-BBRMVZONSA-N 1 0 320.864 4.003 20 30 DIEDRO CC(C)C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccccc1 ZINC001473319558 1061085862 /nfs/dbraw/zinc/08/58/62/1061085862.db2.gz WLTMIJIPPZHDOV-FQEVSTJZSA-N 1 0 308.425 4.314 20 30 DIEDRO C=CCC[C@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001473328008 1061090865 /nfs/dbraw/zinc/09/08/65/1061090865.db2.gz SNGUEFTVKZSCRK-NSHGMRRFSA-N 1 0 300.490 4.261 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC001473332951 1061091486 /nfs/dbraw/zinc/09/14/86/1061091486.db2.gz OJTGJHXNQMUSDQ-MAUKXSAKSA-N 1 0 301.430 4.355 20 30 DIEDRO C#CC[C@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccccc1 ZINC001473332194 1061092407 /nfs/dbraw/zinc/09/24/07/1061092407.db2.gz USIHSCGPKMFPGI-RXVVDRJESA-N 1 0 307.437 4.194 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](CCC)c2ccccc2)cc1 ZINC001473337526 1061097670 /nfs/dbraw/zinc/09/76/70/1061097670.db2.gz JHBNLLGUCUKBDE-HXUWFJFHSA-N 1 0 320.436 4.128 20 30 DIEDRO CCC1(c2ccccc2)C[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001462338421 1061114897 /nfs/dbraw/zinc/11/48/97/1061114897.db2.gz YGKXOMWFPBYBET-UHFFFAOYSA-N 1 0 304.437 4.339 20 30 DIEDRO Cc1ccc(Br)c(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC001462353540 1061124435 /nfs/dbraw/zinc/12/44/35/1061124435.db2.gz KDJACHLKSJAPOE-LBPRGKRZSA-N 1 0 309.251 4.176 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@@H]1OC ZINC001462355592 1061125683 /nfs/dbraw/zinc/12/56/83/1061125683.db2.gz LDCVJBROTQYMNK-QRVBRYPASA-N 1 0 312.457 4.119 20 30 DIEDRO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001473409496 1061143029 /nfs/dbraw/zinc/14/30/29/1061143029.db2.gz QTBHFZGYGHTQJB-DLBZAZTESA-N 1 0 324.509 4.406 20 30 DIEDRO C#CCCCCCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001462398803 1061150791 /nfs/dbraw/zinc/15/07/91/1061150791.db2.gz YEHGANLCRZEMHS-UHFFFAOYSA-N 1 0 312.457 4.195 20 30 DIEDRO C=C1CCC(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001462405491 1061152072 /nfs/dbraw/zinc/15/20/72/1061152072.db2.gz SUIRTRDSOQNMAR-UHFFFAOYSA-N 1 0 312.457 4.357 20 30 DIEDRO CC(C)=CCC[C@@H](C)CC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001462410894 1061156503 /nfs/dbraw/zinc/15/65/03/1061156503.db2.gz NNSLDHJBTWPLFY-YLJYHZDGSA-N 1 0 314.473 4.296 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(C)c(C(=O)OC)c1 ZINC001473443513 1061161063 /nfs/dbraw/zinc/16/10/63/1061161063.db2.gz GTAYCTPTXCQKQR-UHFFFAOYSA-N 1 0 323.436 4.360 20 30 DIEDRO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001473446143 1061163618 /nfs/dbraw/zinc/16/36/18/1061163618.db2.gz IVBAXNRUSQDRLU-INIZCTEOSA-N 1 0 320.436 4.225 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1(C)C ZINC001473457635 1061170453 /nfs/dbraw/zinc/17/04/53/1061170453.db2.gz COJVQWBTRKOSCB-BMGDILEWSA-N 1 0 300.446 4.193 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C1(C)C ZINC001473457774 1061170517 /nfs/dbraw/zinc/17/05/17/1061170517.db2.gz DIITUPXKUUNRMN-IAGOWNOFSA-N 1 0 320.864 4.285 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001473459198 1061172405 /nfs/dbraw/zinc/17/24/05/1061172405.db2.gz HJSGXDHJGCZSRM-KRWDZBQOSA-N 1 0 310.482 4.044 20 30 DIEDRO C#C[C@H]([NH2+]CC1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC001462443572 1061177258 /nfs/dbraw/zinc/17/72/58/1061177258.db2.gz HPEPURAWWCJLLK-IBGZPJMESA-N 1 0 303.490 4.145 20 30 DIEDRO C#C[C@@H]([NH2+]CC1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC001462443576 1061177756 /nfs/dbraw/zinc/17/77/56/1061177756.db2.gz HPEPURAWWCJLLK-LJQANCHMSA-N 1 0 303.490 4.145 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](OC)C1CCCC1 ZINC001473466219 1061178155 /nfs/dbraw/zinc/17/81/55/1061178155.db2.gz ALISAFKKSZXZIL-IBGZPJMESA-N 1 0 319.493 4.047 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1sc(N2CCCC2)nc1Cl ZINC001462457594 1061186681 /nfs/dbraw/zinc/18/66/81/1061186681.db2.gz HCUQMGVBXAKKOP-UHFFFAOYSA-N 1 0 313.898 4.089 20 30 DIEDRO CC(C)c1ccc(CC[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC001462478427 1061197547 /nfs/dbraw/zinc/19/75/47/1061197547.db2.gz HBZWWSVBUDZDNR-UHFFFAOYSA-N 1 0 318.464 4.477 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC001473509917 1061203101 /nfs/dbraw/zinc/20/31/01/1061203101.db2.gz QXAUUJVRGFBBSL-ZWKOTPCHSA-N 1 0 321.892 4.454 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC001462491008 1061210049 /nfs/dbraw/zinc/21/00/49/1061210049.db2.gz LHEBANLVFSJJMF-UHFFFAOYSA-N 1 0 305.853 4.309 20 30 DIEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCOc1ccccc1C#N ZINC001473518503 1061212031 /nfs/dbraw/zinc/21/20/31/1061212031.db2.gz DFHNUSXWPNVOQU-WBVHZDCISA-N 1 0 300.446 4.084 20 30 DIEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001473518458 1061212073 /nfs/dbraw/zinc/21/20/73/1061212073.db2.gz CNIVHPBWWQOOBF-DOTOQJQBSA-N 1 0 300.446 4.084 20 30 DIEDRO C=CCCCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001473520948 1061216294 /nfs/dbraw/zinc/21/62/94/1061216294.db2.gz HFPRKQHQIYMDDV-SFHVURJKSA-N 1 0 322.493 4.256 20 30 DIEDRO CCCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473524360 1061221411 /nfs/dbraw/zinc/22/14/11/1061221411.db2.gz RRWRKIMVPIOQFK-CYBMUJFWSA-N 1 0 321.852 4.051 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001473539716 1061232288 /nfs/dbraw/zinc/23/22/88/1061232288.db2.gz UQZKKDZGLQBYMM-RTWAWAEBSA-N 1 0 304.437 4.369 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1 ZINC001462527542 1061236993 /nfs/dbraw/zinc/23/69/93/1061236993.db2.gz XXGUOYODGYTGNB-SIXWZSSISA-N 1 0 322.456 4.466 20 30 DIEDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1(C)C ZINC001473542524 1061237560 /nfs/dbraw/zinc/23/75/60/1061237560.db2.gz VECNYJKCQQUDBA-ROUUACIJSA-N 1 0 314.473 4.128 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001462560372 1061261562 /nfs/dbraw/zinc/26/15/62/1061261562.db2.gz CRIRHGXUYUGGLV-UHFFFAOYSA-N 1 0 312.498 4.119 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCCC12CCOCC2 ZINC001473573351 1061262172 /nfs/dbraw/zinc/26/21/72/1061262172.db2.gz NDRBACZKYVNULT-QFBILLFUSA-N 1 0 312.457 4.148 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC001473587327 1061273835 /nfs/dbraw/zinc/27/38/35/1061273835.db2.gz JMDNWHRKPSRTDW-ZIAGYGMSSA-N 1 0 314.816 4.401 20 30 DIEDRO CCCCCCC[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC001473617554 1061290796 /nfs/dbraw/zinc/29/07/96/1061290796.db2.gz YQDOTZVKYMZCMR-WBVHZDCISA-N 1 0 319.493 4.418 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC001473617247 1061292825 /nfs/dbraw/zinc/29/28/25/1061292825.db2.gz NAGQUFXDWSCCCW-QRWLVFNGSA-N 1 0 308.400 4.422 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC001473627371 1061299456 /nfs/dbraw/zinc/29/94/56/1061299456.db2.gz JLPDVWWUPKITBR-AWEZNQCLSA-N 1 0 324.262 4.116 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Cl)c2ccccc12)C1CSC1 ZINC001473629427 1061304604 /nfs/dbraw/zinc/30/46/04/1061304604.db2.gz DDNIHAGGKKHZBR-UHFFFAOYSA-N 1 0 301.842 4.044 20 30 DIEDRO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC(C)(C)CC(C)(C)C1 ZINC001473628810 1061304648 /nfs/dbraw/zinc/30/46/48/1061304648.db2.gz HFFZQUQJJRHKFV-GOSISDBHSA-N 1 0 314.473 4.128 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001462637896 1061309876 /nfs/dbraw/zinc/30/98/76/1061309876.db2.gz XZLZHZXRZQEYFR-UHFFFAOYSA-N 1 0 305.462 4.270 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001462639383 1061313331 /nfs/dbraw/zinc/31/33/31/1061313331.db2.gz XURHKJXZZNABKZ-NCOADZHNSA-N 1 0 322.493 4.251 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1SC(F)(F)F ZINC001462645601 1061314132 /nfs/dbraw/zinc/31/41/32/1061314132.db2.gz UKFNECBFFRANCJ-NSHDSACASA-N 1 0 302.365 4.328 20 30 DIEDRO C=CC[N@@H+](CCCCOc1c(OC)cccc1OC)C(C)(C)C ZINC001473651346 1061317039 /nfs/dbraw/zinc/31/70/39/1061317039.db2.gz RSGVOQPNRPGASB-UHFFFAOYSA-N 1 0 321.461 4.149 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](CCCc2ccccc2Br)C1 ZINC001473673264 1061331351 /nfs/dbraw/zinc/33/13/51/1061331351.db2.gz GGYAFAOXEWMZNX-AWEZNQCLSA-N 1 0 308.263 4.280 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001473675709 1061337333 /nfs/dbraw/zinc/33/73/33/1061337333.db2.gz WMKYLAKRLCHRHJ-APWZRJJASA-N 1 0 324.509 4.336 20 30 DIEDRO CCC(CC)CCC[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001473680321 1061340978 /nfs/dbraw/zinc/34/09/78/1061340978.db2.gz QVZBNZJNTPPJDD-UHFFFAOYSA-N 1 0 303.406 4.115 20 30 DIEDRO C=C(Br)C[N@H+]1CCC[C@@]1(C)Cc1cccc(C)c1 ZINC001473686502 1061344424 /nfs/dbraw/zinc/34/44/24/1061344424.db2.gz DZVSOJMNIOAWSJ-INIZCTEOSA-N 1 0 308.263 4.301 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC001473702575 1061353385 /nfs/dbraw/zinc/35/33/85/1061353385.db2.gz JRTHFNWGZKEUPE-HXUWFJFHSA-N 1 0 308.425 4.362 20 30 DIEDRO CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001473704598 1061357478 /nfs/dbraw/zinc/35/74/78/1061357478.db2.gz QXHUOSAINWKGQC-IBGZPJMESA-N 1 0 308.400 4.465 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001473730278 1061374914 /nfs/dbraw/zinc/37/49/14/1061374914.db2.gz PSNJIHPERGCQIV-GOSISDBHSA-N 1 0 306.400 4.302 20 30 DIEDRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCc1cccc(C#N)c1 ZINC001473732214 1061378489 /nfs/dbraw/zinc/37/84/89/1061378489.db2.gz PMPYPKNVBGFDMJ-ZDUSSCGKSA-N 1 0 300.352 4.072 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]2(C)C2CCCCC2)cc1 ZINC001473746320 1061387390 /nfs/dbraw/zinc/38/73/90/1061387390.db2.gz UFVRSSUZWAQOOX-NRFANRHFSA-N 1 0 324.468 4.041 20 30 DIEDRO CC(C)c1cc([C@H]2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)[nH]n1 ZINC001473773444 1061402354 /nfs/dbraw/zinc/40/23/54/1061402354.db2.gz VCJWHUKXFBTWQU-YJBOKZPZSA-N 1 0 322.456 4.345 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797977 1061411391 /nfs/dbraw/zinc/41/13/91/1061411391.db2.gz STXJYUFHFAYLLB-LPHOPBHVSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCCCCCCNC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001251609456 1061417192 /nfs/dbraw/zinc/41/71/92/1061417192.db2.gz UGHPPTXSMHOSEA-ROUUACIJSA-N 1 0 323.525 4.027 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](C[C@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC001473838957 1061429403 /nfs/dbraw/zinc/42/94/03/1061429403.db2.gz OFAFMHSOVKSYBH-HXUWFJFHSA-N 1 0 324.468 4.229 20 30 DIEDRO C=CCCC[N@@H+](CC)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473862254 1061437840 /nfs/dbraw/zinc/43/78/40/1061437840.db2.gz YGDNLFGVKKHYPT-UHFFFAOYSA-N 1 0 324.509 4.312 20 30 DIEDRO CCC[C@@](C)([NH2+]CCOc1cccc(C#N)c1)c1ccccc1 ZINC001473878736 1061446721 /nfs/dbraw/zinc/44/67/21/1061446721.db2.gz XYRBATRXFRLAFO-HXUWFJFHSA-N 1 0 308.425 4.242 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC001473881213 1061447453 /nfs/dbraw/zinc/44/74/53/1061447453.db2.gz OLHIRGSJTZREHK-FQEVSTJZSA-N 1 0 304.437 4.164 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)C1 ZINC001473912094 1061458965 /nfs/dbraw/zinc/45/89/65/1061458965.db2.gz ZDGLSYWBHJTMOO-RKVPGOIHSA-N 1 0 306.881 4.277 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCCc1ccccc1 ZINC001473914277 1061462610 /nfs/dbraw/zinc/46/26/10/1061462610.db2.gz PRFTXNPUNSACEP-UHFFFAOYSA-N 1 0 313.828 4.074 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCSCc1ccccc1C#N ZINC001473916303 1061462639 /nfs/dbraw/zinc/46/26/39/1061462639.db2.gz UHLTZKZHLBWMPL-NVXWUHKLSA-N 1 0 302.487 4.207 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccc(F)cc1Cl)C(C)C ZINC001473927384 1061475412 /nfs/dbraw/zinc/47/54/12/1061475412.db2.gz KKYIFWAGGFTREO-SFHVURJKSA-N 1 0 324.871 4.267 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC001473958015 1061499198 /nfs/dbraw/zinc/49/91/98/1061499198.db2.gz OVBGVHLGJYEDLR-SJLPKXTDSA-N 1 0 312.457 4.038 20 30 DIEDRO N#Cc1cc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)cs1 ZINC001473967587 1061510372 /nfs/dbraw/zinc/51/03/72/1061510372.db2.gz OEKRCWZWYAPIHL-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1cccc2cccnc21 ZINC001473980250 1061523404 /nfs/dbraw/zinc/52/34/04/1061523404.db2.gz CBHDHQQQSYWVTM-UHFFFAOYSA-N 1 0 315.420 4.056 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](CC)C2)cc1OC ZINC001474013577 1061555045 /nfs/dbraw/zinc/55/50/45/1061555045.db2.gz ODZSDFJIZXYPEN-WBVHZDCISA-N 1 0 303.446 4.318 20 30 DIEDRO Cc1occc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC001474014939 1061557234 /nfs/dbraw/zinc/55/72/34/1061557234.db2.gz IQDQZJBLJIINGP-UHFFFAOYSA-N 1 0 308.406 4.478 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001252119856 1061580037 /nfs/dbraw/zinc/58/00/37/1061580037.db2.gz HSDJTVKKFFUYMS-GOSISDBHSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC001252121848 1061581244 /nfs/dbraw/zinc/58/12/44/1061581244.db2.gz MRIVNNIQAQSFCO-HXUWFJFHSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001252128912 1061585089 /nfs/dbraw/zinc/58/50/89/1061585089.db2.gz RXJFEJGNOGIKKW-HKUYNNGSSA-N 1 0 304.478 4.330 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001252128625 1061585542 /nfs/dbraw/zinc/58/55/42/1061585542.db2.gz PMSPYQSHUOFFHK-MOPGFXCFSA-N 1 0 304.478 4.330 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001252130480 1061586344 /nfs/dbraw/zinc/58/63/44/1061586344.db2.gz RKNBPAKBVXFKJE-MOPGFXCFSA-N 1 0 318.505 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC(c2ccncc2)CC1 ZINC001252127639 1061586563 /nfs/dbraw/zinc/58/65/63/1061586563.db2.gz CTPJXORBMXNNHY-HXUWFJFHSA-N 1 0 318.505 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001252128913 1061587237 /nfs/dbraw/zinc/58/72/37/1061587237.db2.gz RXJFEJGNOGIKKW-IEBWSBKVSA-N 1 0 304.478 4.330 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001252126552 1061587418 /nfs/dbraw/zinc/58/74/18/1061587418.db2.gz QLCOLVCEZSKHOX-PMPSAXMXSA-N 1 0 303.437 4.075 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](SCC)C2)c1 ZINC001474040067 1061587438 /nfs/dbraw/zinc/58/74/38/1061587438.db2.gz PXHCVBJGUDXYNN-SJLPKXTDSA-N 1 0 305.487 4.405 20 30 DIEDRO C=CC1(CC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CCCCC1 ZINC001464399664 1061589037 /nfs/dbraw/zinc/58/90/37/1061589037.db2.gz JLUCALSJZFGXOV-PXNSSMCTSA-N 1 0 320.521 4.140 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001464419587 1061591186 /nfs/dbraw/zinc/59/11/86/1061591186.db2.gz QNJDAFXOJWZUOD-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCc2nc[nH]c2[C@H]1C(C)C ZINC001252132176 1061591702 /nfs/dbraw/zinc/59/17/02/1061591702.db2.gz BCHJZVFNQGVASA-QFBILLFUSA-N 1 0 321.509 4.076 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H](C)c1ccc(O)cc1 ZINC001252132875 1061591844 /nfs/dbraw/zinc/59/18/44/1061591844.db2.gz DJASEYLCEBOHDP-LPHOPBHVSA-N 1 0 307.478 4.197 20 30 DIEDRO CCCCCCCC[C@@H](O)CNc1ccc(CC[NH+](C)C)cc1 ZINC001252132007 1061592246 /nfs/dbraw/zinc/59/22/46/1061592246.db2.gz ZPCKZSTZRADZBI-HXUWFJFHSA-N 1 0 320.521 4.314 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cc(F)cnc1Cl ZINC001252138542 1061595200 /nfs/dbraw/zinc/59/52/00/1061595200.db2.gz AXPCUVKKAFJSNR-OAHLLOKOSA-N 1 0 316.848 4.075 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C(C)(C)Cc1ccncc1 ZINC001252138552 1061595962 /nfs/dbraw/zinc/59/59/62/1061595962.db2.gz DKIXISSJQMDBCK-GOSISDBHSA-N 1 0 306.494 4.104 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(C(C)=O)cc1 ZINC001252135050 1061596121 /nfs/dbraw/zinc/59/61/21/1061596121.db2.gz WLLOSENKSOEJMS-LJQANCHMSA-N 1 0 305.462 4.090 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)c1ccc(F)cn1 ZINC001252138857 1061596679 /nfs/dbraw/zinc/59/66/79/1061596679.db2.gz GQMIWWTYXKLIHX-QGZVFWFLSA-N 1 0 324.484 4.199 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001252138698 1061597852 /nfs/dbraw/zinc/59/78/52/1061597852.db2.gz CRQMDLIKAFCCAU-IEBWSBKVSA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](c1ccc(F)cn1)C1CC1 ZINC001252139723 1061598086 /nfs/dbraw/zinc/59/80/86/1061598086.db2.gz QZNRQOSAIKFXFX-MJGOQNOKSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCCc2cnccc21 ZINC001252140056 1061598199 /nfs/dbraw/zinc/59/81/99/1061598199.db2.gz XRVACXCRTMVPOX-IEBWSBKVSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)c1ncccc1C ZINC001252138839 1061598262 /nfs/dbraw/zinc/59/82/62/1061598262.db2.gz GLVKAMVPWMPALD-GOSISDBHSA-N 1 0 320.521 4.369 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C(C)(C)CC1CCOCC1 ZINC001252138854 1061598782 /nfs/dbraw/zinc/59/87/82/1061598782.db2.gz GPUMOZMOFFVUCR-SFHVURJKSA-N 1 0 313.526 4.283 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1ccnc(F)c1)C1CC1 ZINC001252140116 1061598825 /nfs/dbraw/zinc/59/88/25/1061598825.db2.gz ZCWKUVIHRMLFRQ-PKOBYXMFSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](C)c1cncc(Cl)c1 ZINC001252142253 1061600040 /nfs/dbraw/zinc/60/00/40/1061600040.db2.gz WGYBMAKIXNYNBD-PBHICJAKSA-N 1 0 312.885 4.497 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc2ncoc2c1 ZINC001252140928 1061600068 /nfs/dbraw/zinc/60/00/68/1061600068.db2.gz VCVVPMRJPUCRPS-INIZCTEOSA-N 1 0 304.434 4.029 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](C)c1cncc(Cl)c1 ZINC001252142255 1061600489 /nfs/dbraw/zinc/60/04/89/1061600489.db2.gz WGYBMAKIXNYNBD-RHSMWYFYSA-N 1 0 312.885 4.497 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC001252140255 1061600549 /nfs/dbraw/zinc/60/05/49/1061600549.db2.gz ODNWEORSMOLKSL-QFBILLFUSA-N 1 0 307.478 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(C(F)(F)F)o1 ZINC001252140512 1061600705 /nfs/dbraw/zinc/60/07/05/1061600705.db2.gz BACJCYOWTOWKJV-CYBMUJFWSA-N 1 0 321.383 4.500 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001252140222 1061601152 /nfs/dbraw/zinc/60/11/52/1061601152.db2.gz NKKFHAANTHGGFR-OAHLLOKOSA-N 1 0 303.437 4.265 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCCC2(C)C)cc1OC ZINC001474054212 1061603207 /nfs/dbraw/zinc/60/32/07/1061603207.db2.gz RWGMJZXORRMGOS-GOSISDBHSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2sccc2Br)C1 ZINC001474135168 1061681148 /nfs/dbraw/zinc/68/11/48/1061681148.db2.gz SQCYZOHHQJGPLQ-QWRGUYRKSA-N 1 0 300.265 4.345 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C/C=C/c1ccccc1 ZINC001474088943 1061634322 /nfs/dbraw/zinc/63/43/22/1061634322.db2.gz ZWPCBFLCTRPMRN-JXMROGBWSA-N 1 0 311.812 4.155 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)cc1 ZINC001474100094 1061644957 /nfs/dbraw/zinc/64/49/57/1061644957.db2.gz KHMVIIBLFAFRQC-GFCCVEGCSA-N 1 0 319.326 4.259 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCOc3ccc(CC)cc32)c1 ZINC001474105063 1061654385 /nfs/dbraw/zinc/65/43/85/1061654385.db2.gz OWMMUUTXJDLOOT-FQEVSTJZSA-N 1 0 323.436 4.427 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](C)c1ccccc1 ZINC001474106311 1061656674 /nfs/dbraw/zinc/65/66/74/1061656674.db2.gz IWSPRZTUAAYPHA-OAHLLOKOSA-N 1 0 313.828 4.245 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)cc(OC)c1O ZINC001474106602 1061657167 /nfs/dbraw/zinc/65/71/67/1061657167.db2.gz LQCFEQCGUNXRIU-CKEIUWERSA-N 1 0 303.446 4.044 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC001474106878 1061657275 /nfs/dbraw/zinc/65/72/75/1061657275.db2.gz ODWMAKHBEZNVFL-IBGZPJMESA-N 1 0 320.436 4.085 20 30 DIEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001252560957 1061664472 /nfs/dbraw/zinc/66/44/72/1061664472.db2.gz WMBCBEFCEOXBLI-IRLDBZIGSA-N 1 0 321.464 4.220 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)cc1 ZINC001474121088 1061671227 /nfs/dbraw/zinc/67/12/27/1061671227.db2.gz JPCBABZHHMAQGZ-RTWAWAEBSA-N 1 0 319.448 4.141 20 30 DIEDRO C=CCC[C@H](O)C[NH+]1CCC(c2ccc3ccccc3c2)CC1 ZINC001252599638 1061672080 /nfs/dbraw/zinc/67/20/80/1061672080.db2.gz DFNVVAMYVZSTIP-NRFANRHFSA-N 1 0 309.453 4.346 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001252599943 1061672688 /nfs/dbraw/zinc/67/26/88/1061672688.db2.gz QIMDJALBRQWCTG-QWHCGFSZSA-N 1 0 314.256 4.110 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001252602385 1061673827 /nfs/dbraw/zinc/67/38/27/1061673827.db2.gz RRWSFFOASDPYMZ-HZPDHXFCSA-N 1 0 313.363 4.169 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)C2CCCCC2)cc1 ZINC001474129911 1061677184 /nfs/dbraw/zinc/67/71/84/1061677184.db2.gz ZYUUXNKOJJUGIL-UHFFFAOYSA-N 1 0 313.489 4.485 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC001252618719 1061678817 /nfs/dbraw/zinc/67/88/17/1061678817.db2.gz DSVGIKJQRULDNA-GJZGRUSLSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC001474135050 1061681601 /nfs/dbraw/zinc/68/16/01/1061681601.db2.gz NKJURAGOAZLOJJ-UHFFFAOYSA-N 1 0 311.198 4.125 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001474134372 1061681817 /nfs/dbraw/zinc/68/18/17/1061681817.db2.gz QSZGMPIZJJXLJE-NCOADZHNSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001252623793 1061682756 /nfs/dbraw/zinc/68/27/56/1061682756.db2.gz QXMZNXVNILPVDW-RBUKOAKNSA-N 1 0 315.844 4.346 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](CC)C2CCCC2)cc(OC)c1O ZINC001474145221 1061690701 /nfs/dbraw/zinc/69/07/01/1061690701.db2.gz KCWCAERXVMCRKC-KRWDZBQOSA-N 1 0 303.446 4.188 20 30 DIEDRO Cc1ccc(F)c(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC001474149606 1061693288 /nfs/dbraw/zinc/69/32/88/1061693288.db2.gz PUFRECSPSCMQJY-UHFFFAOYSA-N 1 0 310.416 4.268 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cc(C(C)(C)C)oc2C)cc1 ZINC001474151680 1061696111 /nfs/dbraw/zinc/69/61/11/1061696111.db2.gz WHAPXQGBLJZDFA-UHFFFAOYSA-N 1 0 311.425 4.187 20 30 DIEDRO C=CCc1cc(C[NH2+]CCC(C)(C)C2CC2)cc(OC)c1O ZINC001474162723 1061706421 /nfs/dbraw/zinc/70/64/21/1061706421.db2.gz RGDINNXGLJMWPC-UHFFFAOYSA-N 1 0 303.446 4.045 20 30 DIEDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1cccc(F)c1C#N)[NH+](C)C ZINC001458369098 1061726726 /nfs/dbraw/zinc/72/67/26/1061726726.db2.gz FGWJUJSBGYICBG-AUUYWEPGSA-N 1 0 311.404 4.109 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)cc1 ZINC001474179673 1061728072 /nfs/dbraw/zinc/72/80/72/1061728072.db2.gz ZTQRRQSCTLORQL-OAHLLOKOSA-N 1 0 320.411 4.020 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)OCC2CC2)cc1Cl ZINC001474182245 1061730556 /nfs/dbraw/zinc/73/05/56/1061730556.db2.gz FDBVLYXRCRKLMU-UHFFFAOYSA-N 1 0 323.864 4.200 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC001474201978 1061755393 /nfs/dbraw/zinc/75/53/93/1061755393.db2.gz BWBSFJIZBUENGD-UHFFFAOYSA-N 1 0 304.503 4.076 20 30 DIEDRO CCCCOc1ccccc1C[NH2+]CCc1ccc(C#N)cc1 ZINC001474207871 1061762919 /nfs/dbraw/zinc/76/29/19/1061762919.db2.gz JETAVGFXYUHRIQ-UHFFFAOYSA-N 1 0 308.425 4.069 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncc(Br)c1C ZINC001474207710 1061763771 /nfs/dbraw/zinc/76/37/71/1061763771.db2.gz BSKGOVRRCYCZHC-BBRMVZONSA-N 1 0 323.278 4.377 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(Br)c1C ZINC001474207712 1061764046 /nfs/dbraw/zinc/76/40/46/1061764046.db2.gz BSKGOVRRCYCZHC-CZUORRHYSA-N 1 0 323.278 4.377 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)ccc1OC ZINC001474211823 1061768447 /nfs/dbraw/zinc/76/84/47/1061768447.db2.gz YVDMPABALJZCDZ-OKZBNKHCSA-N 1 0 315.457 4.176 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]CCc1nccs1 ZINC001252980231 1061770641 /nfs/dbraw/zinc/77/06/41/1061770641.db2.gz KNWOCCLOHANILG-INIZCTEOSA-N 1 0 312.523 4.167 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cccnc1C ZINC001252983214 1061771409 /nfs/dbraw/zinc/77/14/09/1061771409.db2.gz SOUUYVHFLKMZBY-LJQANCHMSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ncccc1F ZINC001252983507 1061773951 /nfs/dbraw/zinc/77/39/51/1061773951.db2.gz WUQJICALYFREEI-INIZCTEOSA-N 1 0 310.457 4.202 20 30 DIEDRO CCCCCCCCCC[C@@H](O)CN1CC[NH+](C2CCC2)CC1 ZINC001252980856 1061774154 /nfs/dbraw/zinc/77/41/54/1061774154.db2.gz ZUDLINOTBKWMDZ-HXUWFJFHSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1nc(C)oc1C ZINC001252981072 1061774224 /nfs/dbraw/zinc/77/42/24/1061774224.db2.gz ZLVXVRUVEQNXIO-KRWDZBQOSA-N 1 0 310.482 4.273 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cc(OC)ccn1 ZINC001252986383 1061775809 /nfs/dbraw/zinc/77/58/09/1061775809.db2.gz MABLWEFCUMUEGI-SFHVURJKSA-N 1 0 322.493 4.072 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H](C)c1cncnc1 ZINC001252987058 1061777007 /nfs/dbraw/zinc/77/70/07/1061777007.db2.gz QIMVQOGUDSATQM-WMZOPIPTSA-N 1 0 307.482 4.019 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1c(C)nn(-c2ccccc2C)c1C ZINC001474218951 1061777304 /nfs/dbraw/zinc/77/73/04/1061777304.db2.gz LQVOSQJYTPIXKM-UHFFFAOYSA-N 1 0 311.473 4.489 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]CCc1cncs1 ZINC001252985939 1061777453 /nfs/dbraw/zinc/77/74/53/1061777453.db2.gz JHONFFYVXVSGMK-INIZCTEOSA-N 1 0 312.523 4.167 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CC(c2cccnc2)C1 ZINC001252986777 1061777597 /nfs/dbraw/zinc/77/75/97/1061777597.db2.gz WZQWAZLTTQHHQG-HXUWFJFHSA-N 1 0 318.505 4.373 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC001474218763 1061778041 /nfs/dbraw/zinc/77/80/41/1061778041.db2.gz GZHSTBACWLUFRA-UHFFFAOYSA-N 1 0 310.441 4.495 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(OC)cn1 ZINC001252987731 1061779808 /nfs/dbraw/zinc/77/98/08/1061779808.db2.gz WIPSIHATMCRFLU-GOSISDBHSA-N 1 0 322.493 4.072 20 30 DIEDRO C#CCCC1(CC[NH2+]C[C@H](O)CCCCCCCCCC)N=N1 ZINC001252988253 1061780786 /nfs/dbraw/zinc/78/07/86/1061780786.db2.gz CSCNRQLJIVRFGN-GOSISDBHSA-N 1 0 321.509 4.433 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(CO)c1 ZINC001252987379 1061781128 /nfs/dbraw/zinc/78/11/28/1061781128.db2.gz RXTXPMOBLTTXOM-HXUWFJFHSA-N 1 0 321.505 4.160 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@@H](OC)CC1 ZINC001252990167 1061781177 /nfs/dbraw/zinc/78/11/77/1061781177.db2.gz XALSLMMPKMFQMH-QRVBRYPASA-N 1 0 313.526 4.425 20 30 DIEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001474225885 1061786743 /nfs/dbraw/zinc/78/67/43/1061786743.db2.gz AAMZRMHBNRAEMF-KRWDZBQOSA-N 1 0 313.828 4.135 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC001474225361 1061787565 /nfs/dbraw/zinc/78/75/65/1061787565.db2.gz FFISVUKUNKBKBP-ZDUSSCGKSA-N 1 0 321.873 4.381 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC001474225603 1061787935 /nfs/dbraw/zinc/78/79/35/1061787935.db2.gz OKDVRLYVRHWKKK-HXUWFJFHSA-N 1 0 307.437 4.180 20 30 DIEDRO CCC(C)(C)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC001474231893 1061795900 /nfs/dbraw/zinc/79/59/00/1061795900.db2.gz JCIFHMSHQPWSIV-UHFFFAOYSA-N 1 0 324.472 4.380 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@@H]2CCSC2)cc1Cl ZINC001474237118 1061798798 /nfs/dbraw/zinc/79/87/98/1061798798.db2.gz ZHSBXEKWSSQHHN-CYBMUJFWSA-N 1 0 311.878 4.138 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)C2 ZINC001474245565 1061811810 /nfs/dbraw/zinc/81/18/10/1061811810.db2.gz RQCMLBIGGSZJOD-CQSZACIVSA-N 1 0 317.219 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)C2 ZINC001474246273 1061812591 /nfs/dbraw/zinc/81/25/91/1061812591.db2.gz ZIXSLOHSRDXWHT-HNNXBMFYSA-N 1 0 317.219 4.122 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001474255865 1061824305 /nfs/dbraw/zinc/82/43/05/1061824305.db2.gz ALFPVAOPJDGJKY-IEBWSBKVSA-N 1 0 300.490 4.404 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC001474260482 1061828836 /nfs/dbraw/zinc/82/88/36/1061828836.db2.gz WUNJNWQXTPRWKF-UHFFFAOYSA-N 1 0 318.490 4.059 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001253227490 1061833692 /nfs/dbraw/zinc/83/36/92/1061833692.db2.gz JOOOSVAXQCFJMA-RTBURBONSA-N 1 0 302.462 4.106 20 30 DIEDRO CSc1ccc(C[NH2+]C2CCC3(CCC3)CC2)cc1C#N ZINC001474267213 1061833448 /nfs/dbraw/zinc/83/34/48/1061833448.db2.gz OIFGPIJXPRSMND-UHFFFAOYSA-N 1 0 300.471 4.483 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001253238335 1061837470 /nfs/dbraw/zinc/83/74/70/1061837470.db2.gz CZRHGFAWRCYZNV-CABCVRRESA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(c2ccncc2)CC1 ZINC001253240088 1061838017 /nfs/dbraw/zinc/83/80/17/1061838017.db2.gz YQVVSYWYRLVPJK-HXUWFJFHSA-N 1 0 316.489 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+](C)Cc1cccc(OC)c1 ZINC001253239099 1061838136 /nfs/dbraw/zinc/83/81/36/1061838136.db2.gz KDAGZKAKVIGTFC-GOSISDBHSA-N 1 0 305.462 4.015 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC001253240535 1061838494 /nfs/dbraw/zinc/83/84/94/1061838494.db2.gz NGPQBPBMBIOVHU-JKSUJKDBSA-N 1 0 308.491 4.168 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001253239882 1061838931 /nfs/dbraw/zinc/83/89/31/1061838931.db2.gz VBCJDORXQIAEEP-UXHICEINSA-N 1 0 316.489 4.496 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(c2ccncc2)CC1 ZINC001253240087 1061838966 /nfs/dbraw/zinc/83/89/66/1061838966.db2.gz YQVVSYWYRLVPJK-FQEVSTJZSA-N 1 0 316.489 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC(c2cccnc2)CC1 ZINC001253238111 1061839055 /nfs/dbraw/zinc/83/90/55/1061839055.db2.gz BGOAOKPDMUIFIG-HXUWFJFHSA-N 1 0 316.489 4.149 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2cc[nH]c21 ZINC001474274389 1061841407 /nfs/dbraw/zinc/84/14/07/1061841407.db2.gz BBBSDEBVXNZQKR-UHFFFAOYSA-N 1 0 303.409 4.150 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1c(F)ccc(F)c1F ZINC001253248032 1061850679 /nfs/dbraw/zinc/85/06/79/1061850679.db2.gz OUXLPSOIKQZPTJ-ZDUSSCGKSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)c1ccccc1OC ZINC001253248220 1061851668 /nfs/dbraw/zinc/85/16/68/1061851668.db2.gz RYHOHHJCXRVFEQ-SJORKVTESA-N 1 0 305.462 4.233 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cccc2ncccc12 ZINC001253249355 1061852101 /nfs/dbraw/zinc/85/21/01/1061852101.db2.gz JMTQWVFGTXTMEK-SFHVURJKSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001253251792 1061853860 /nfs/dbraw/zinc/85/38/60/1061853860.db2.gz OSTNFUYCYVQRQF-VIQWUECVSA-N 1 0 304.478 4.080 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC001253250513 1061853955 /nfs/dbraw/zinc/85/39/55/1061853955.db2.gz AYPHQTRXENRRTO-LJQANCHMSA-N 1 0 314.473 4.188 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001253250663 1061854080 /nfs/dbraw/zinc/85/40/80/1061854080.db2.gz CTNLFAXVKZFOCZ-MOPGFXCFSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCCOCc1ccccc1 ZINC001253249673 1061854107 /nfs/dbraw/zinc/85/41/07/1061854107.db2.gz MNRYQDFPAXAZTN-HXUWFJFHSA-N 1 0 319.489 4.070 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001253252070 1061854376 /nfs/dbraw/zinc/85/43/76/1061854376.db2.gz QRSYKHKIDICBHE-INIZCTEOSA-N 1 0 310.869 4.021 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC001253252066 1061854453 /nfs/dbraw/zinc/85/44/53/1061854453.db2.gz QQRIUBAMKYQVCP-XLIONFOSSA-N 1 0 319.489 4.190 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC001253251192 1061854739 /nfs/dbraw/zinc/85/47/39/1061854739.db2.gz HRBBDTGHACXHGW-GOSISDBHSA-N 1 0 305.437 4.292 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1csc(Cl)c1 ZINC001253252068 1061855364 /nfs/dbraw/zinc/85/53/64/1061855364.db2.gz QRFVIYLKOCSUCQ-AWEZNQCLSA-N 1 0 301.883 4.379 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC001253255422 1061855925 /nfs/dbraw/zinc/85/59/25/1061855925.db2.gz IPXYZTKIFOCNEG-SFHVURJKSA-N 1 0 317.473 4.161 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1ncccc1F)C1CC1 ZINC001253254367 1061856141 /nfs/dbraw/zinc/85/61/41/1061856141.db2.gz PZRMXFSXHJZEDT-WMZOPIPTSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001253254496 1061856475 /nfs/dbraw/zinc/85/64/75/1061856475.db2.gz QBGWPXZAOQFSOX-KRWDZBQOSA-N 1 0 320.864 4.189 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(C)(C)c1cc(C)ccn1 ZINC001253255261 1061856777 /nfs/dbraw/zinc/85/67/77/1061856777.db2.gz XWQKICGOHRSSDA-SFHVURJKSA-N 1 0 318.505 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC001253254966 1061856844 /nfs/dbraw/zinc/85/68/44/1061856844.db2.gz GBVNJGYXNHHFHH-PXNSSMCTSA-N 1 0 317.473 4.160 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC001253254973 1061857669 /nfs/dbraw/zinc/85/76/69/1061857669.db2.gz GBVNJGYXNHHFHH-YLJYHZDGSA-N 1 0 317.473 4.160 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C(C)(C)CC1CCOCC1 ZINC001253255283 1061858253 /nfs/dbraw/zinc/85/82/53/1061858253.db2.gz XXEAVTATLIHVFN-SFHVURJKSA-N 1 0 311.510 4.059 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@H](C)c1cccc(OC)c1 ZINC001253257019 1061860036 /nfs/dbraw/zinc/86/00/36/1061860036.db2.gz JYLQQDDXVFKLBT-HKUYNNGSSA-N 1 0 319.489 4.276 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](CCC)c1ccncc1 ZINC001253256425 1061860121 /nfs/dbraw/zinc/86/01/21/1061860121.db2.gz XQDAAHOYFRYJEZ-RTBURBONSA-N 1 0 304.478 4.400 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cncc2ccccc21 ZINC001253257302 1061860601 /nfs/dbraw/zinc/86/06/01/1061860601.db2.gz RFKDBTLTJGNEEB-IBGZPJMESA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC001253359910 1061878836 /nfs/dbraw/zinc/87/88/36/1061878836.db2.gz VWAYJAHBOGNYHK-IBGZPJMESA-N 1 0 317.379 4.077 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)cc1 ZINC001474310948 1061881632 /nfs/dbraw/zinc/88/16/32/1061881632.db2.gz RJZDFNLUBOUAND-JOCHJYFZSA-N 1 0 303.449 4.431 20 30 DIEDRO C#CCCC[NH2+]C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253490778 1061902900 /nfs/dbraw/zinc/90/29/00/1061902900.db2.gz MRQKNDVPHZUPFB-LJQANCHMSA-N 1 0 321.892 4.053 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](CC)C2)cc1OC ZINC001474331786 1061923013 /nfs/dbraw/zinc/92/30/13/1061923013.db2.gz WEFFVKIZJZQTAI-CYBMUJFWSA-N 1 0 309.837 4.145 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]CCc1cnoc1 ZINC001253565897 1061931315 /nfs/dbraw/zinc/93/13/15/1061931315.db2.gz UOUZZDYMUHCRNF-LJQANCHMSA-N 1 0 324.509 4.479 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]CCC1COC1 ZINC001253566014 1061931626 /nfs/dbraw/zinc/93/16/26/1061931626.db2.gz WAFGYVWBFJKPPJ-LJQANCHMSA-N 1 0 313.526 4.284 20 30 DIEDRO N#Cc1c(F)cccc1OCc1cccc(C[NH+]2CCCCC2)c1 ZINC001459000979 1061969401 /nfs/dbraw/zinc/96/94/01/1061969401.db2.gz ZUPATIJWVVZPJB-UHFFFAOYSA-N 1 0 324.399 4.262 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001474356994 1061975159 /nfs/dbraw/zinc/97/51/59/1061975159.db2.gz CMIUCWHBWGSHFB-HOJAQTOUSA-N 1 0 312.457 4.148 20 30 DIEDRO CCCC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC001254004953 1062010997 /nfs/dbraw/zinc/01/09/97/1062010997.db2.gz QXHMIGQOTDXJNF-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC001254109859 1062025668 /nfs/dbraw/zinc/02/56/68/1062025668.db2.gz JQTZZYTZEPIAGL-SFHVURJKSA-N 1 0 312.800 4.019 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC001474384935 1062033542 /nfs/dbraw/zinc/03/35/42/1062033542.db2.gz UJRXEGBXCBGGLA-UHFFFAOYSA-N 1 0 307.412 4.262 20 30 DIEDRO C[C@@H](NCc1cccc(C#N)c1F)c1ccc(Cl)c(F)c1 ZINC001254144489 1062033616 /nfs/dbraw/zinc/03/36/16/1062033616.db2.gz DKJDMJKDFTUZOJ-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(CC(C)C)nc1)[C@H]1CCc2ccccc21 ZINC001474387444 1062037645 /nfs/dbraw/zinc/03/76/45/1062037645.db2.gz OMHSPGZCTAYHCZ-QFIPXVFZSA-N 1 0 318.464 4.403 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001474389386 1062041100 /nfs/dbraw/zinc/04/11/00/1062041100.db2.gz OEJRCMJDSAKNCI-CQSZACIVSA-N 1 0 305.849 4.220 20 30 DIEDRO COc1ccc(Cl)cc1CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001254184497 1062042249 /nfs/dbraw/zinc/04/22/49/1062042249.db2.gz OEYCIWLUUNCTQX-CYBMUJFWSA-N 1 0 314.816 4.114 20 30 DIEDRO CC(C)[N@@H+](Cc1cnn(Cc2ccccc2)c1)C[C@H](C)CCC#N ZINC001474393195 1062047053 /nfs/dbraw/zinc/04/70/53/1062047053.db2.gz LCCAOIHIQITOAZ-GOSISDBHSA-N 1 0 324.472 4.082 20 30 DIEDRO C[C@H]([NH2+]CCc1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC001254216339 1062052984 /nfs/dbraw/zinc/05/29/84/1062052984.db2.gz QCIDKEMZKMFXEQ-NSHDSACASA-N 1 0 320.770 4.383 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001474400349 1062058837 /nfs/dbraw/zinc/05/88/37/1062058837.db2.gz OVWGABAYQOAZJV-UHFFFAOYSA-N 1 0 318.464 4.423 20 30 DIEDRO C=CC[N@H+]([C@@H]1Cc2ccc(Br)cc2C1)C(C)(C)C ZINC001254286917 1062068307 /nfs/dbraw/zinc/06/83/07/1062068307.db2.gz VRRWHVBYVXDTPV-OAHLLOKOSA-N 1 0 308.263 4.203 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C2CCC(F)CC2)CC1 ZINC001254342883 1062080313 /nfs/dbraw/zinc/08/03/13/1062080313.db2.gz UPQLOCUMBJBKGD-UHFFFAOYSA-N 1 0 318.411 4.400 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC001254345713 1062080976 /nfs/dbraw/zinc/08/09/76/1062080976.db2.gz GNIJBACDDYJQBI-UHFFFAOYSA-N 1 0 324.399 4.025 20 30 DIEDRO CC(C)(C)C(=[NH2+])NC1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254341412 1062081424 /nfs/dbraw/zinc/08/14/24/1062081424.db2.gz GACFSUTYKDJAON-UHFFFAOYSA-N 1 0 301.409 4.143 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CC2(F)CCC2)CC1 ZINC001254349954 1062082296 /nfs/dbraw/zinc/08/22/96/1062082296.db2.gz CXNQEAPPXKXGKS-UHFFFAOYSA-N 1 0 304.384 4.011 20 30 DIEDRO CC(C)([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)C1CC1 ZINC001254342055 1062082693 /nfs/dbraw/zinc/08/26/93/1062082693.db2.gz LYTROHHPCCXREC-UHFFFAOYSA-N 1 0 300.421 4.308 20 30 DIEDRO C[C@]1(F)CCC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353281 1062083586 /nfs/dbraw/zinc/08/35/86/1062083586.db2.gz YOUOXXCTAVVHON-XBMUEBEBSA-N 1 0 318.411 4.354 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@@H](F)CC2)CC1 ZINC001254353253 1062083679 /nfs/dbraw/zinc/08/36/79/1062083679.db2.gz XZHZJTWPQSSAAR-IPJUCJBFSA-N 1 0 318.411 4.354 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)C1CCC1 ZINC001254351900 1062083846 /nfs/dbraw/zinc/08/38/46/1062083846.db2.gz ZDPMMELTIAAOAO-YCMKEVRSSA-N 1 0 300.421 4.308 20 30 DIEDRO CCCCN(CC#N)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254358652 1062084003 /nfs/dbraw/zinc/08/40/03/1062084003.db2.gz HTSJZRNBINAJIJ-UHFFFAOYSA-N 1 0 313.420 4.155 20 30 DIEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](C3CCC4(CC4)CC3)C2)cc1 ZINC001254448630 1062108092 /nfs/dbraw/zinc/10/80/92/1062108092.db2.gz DAHDHQIBYHTCAW-IBGZPJMESA-N 1 0 310.441 4.124 20 30 DIEDRO C=CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)CCc1ccccc1 ZINC001459392602 1062123136 /nfs/dbraw/zinc/12/31/36/1062123136.db2.gz OHVHIOBEMWXRTD-UYAOXDASSA-N 1 0 301.474 4.312 20 30 DIEDRO C=CC[N@H+](CCO[C@H]1CCCC[C@H]1C)CCc1ccccc1 ZINC001459392599 1062124008 /nfs/dbraw/zinc/12/40/08/1062124008.db2.gz OHVHIOBEMWXRTD-QUCCMNQESA-N 1 0 301.474 4.312 20 30 DIEDRO C#CC[N@@H+](CCc1nsc2ccccc21)Cc1ccc(F)cc1 ZINC001459409829 1062130775 /nfs/dbraw/zinc/13/07/75/1062130775.db2.gz YYYHPKIDNHNHNE-UHFFFAOYSA-N 1 0 324.424 4.113 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001474459050 1062137299 /nfs/dbraw/zinc/13/72/99/1062137299.db2.gz RZAXZROWNPUXTE-AEFFLSMTSA-N 1 0 308.400 4.198 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccc(-c2ccccc2)cc1)[C@H]1CCCO1 ZINC001474459845 1062137419 /nfs/dbraw/zinc/13/74/19/1062137419.db2.gz MHPVEORGOUGSLG-VOQZNFBZSA-N 1 0 319.448 4.055 20 30 DIEDRO CC[N@@H+]1CCC[C@@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC001474463893 1062143016 /nfs/dbraw/zinc/14/30/16/1062143016.db2.gz BSOVZPZOYSWNKY-GOSISDBHSA-N 1 0 321.424 4.247 20 30 DIEDRO CCCC[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H](C)c1ccc(C)o1 ZINC001459443483 1062144460 /nfs/dbraw/zinc/14/44/60/1062144460.db2.gz JEBPLIQIEVKVNF-SJORKVTESA-N 1 0 318.461 4.196 20 30 DIEDRO C=CCN(CC1CCCCC1)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC001459484070 1062162234 /nfs/dbraw/zinc/16/22/34/1062162234.db2.gz LISVFYJCXCQNSD-SFHVURJKSA-N 1 0 319.420 4.108 20 30 DIEDRO CC(C)C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001459494077 1062169632 /nfs/dbraw/zinc/16/96/32/1062169632.db2.gz UTDDQWAJYWWQBW-UHFFFAOYSA-N 1 0 308.372 4.028 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC001254544575 1062170040 /nfs/dbraw/zinc/17/00/40/1062170040.db2.gz WZJOGTJQKULEBL-KBXCAEBGSA-N 1 0 323.396 4.138 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001459505143 1062172409 /nfs/dbraw/zinc/17/24/09/1062172409.db2.gz FNSYNQYBOQMDAI-SFHVURJKSA-N 1 0 322.427 4.379 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC001474493528 1062173114 /nfs/dbraw/zinc/17/31/14/1062173114.db2.gz SEUGVBUHHPOIDV-GFCCVEGCSA-N 1 0 314.351 4.350 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C)cc2)ccc1C#N ZINC001474502870 1062183310 /nfs/dbraw/zinc/18/33/10/1062183310.db2.gz NWZWFLLTVLOEKL-WOJBJXKFSA-N 1 0 320.436 4.301 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C)cc2)ccc1C#N ZINC001474502868 1062183939 /nfs/dbraw/zinc/18/39/39/1062183939.db2.gz NWZWFLLTVLOEKL-UXHICEINSA-N 1 0 320.436 4.301 20 30 DIEDRO CC(C)c1ccc(O[C@@H](C)C[NH2+][C@H](C)CC(C)(C)C#N)cc1 ZINC001474509724 1062190231 /nfs/dbraw/zinc/19/02/31/1062190231.db2.gz TYVJXSTYMXCGRF-CVEARBPZSA-N 1 0 302.462 4.495 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1)C(C)C ZINC001474509900 1062190381 /nfs/dbraw/zinc/19/03/81/1062190381.db2.gz YQWPTXIDJVNFLO-XHDPSFHLSA-N 1 0 300.229 4.008 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001474509077 1062191665 /nfs/dbraw/zinc/19/16/65/1062191665.db2.gz KHEKLWXORJEJOX-YFVAEKQCSA-N 1 0 320.411 4.465 20 30 DIEDRO C=CCCCCC[N@@H+](C)CCc1cccc2c1OC(F)(F)O2 ZINC001459539277 1062192777 /nfs/dbraw/zinc/19/27/77/1062192777.db2.gz LDYJJGIFNXIKKO-UHFFFAOYSA-N 1 0 311.372 4.229 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001474522150 1062204464 /nfs/dbraw/zinc/20/44/64/1062204464.db2.gz NNGFECIZWYPSEH-KBAYOESNSA-N 1 0 307.865 4.283 20 30 DIEDRO CC(C[NH2+][C@@H]1CC[C@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC001254634579 1062207461 /nfs/dbraw/zinc/20/74/61/1062207461.db2.gz AGZKANHQRGPSPI-FXAWDEMLSA-N 1 0 304.437 4.274 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC001254635765 1062208358 /nfs/dbraw/zinc/20/83/58/1062208358.db2.gz SHVOYKQOSUNZFK-XFJVYGCCSA-N 1 0 319.246 4.108 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001474523527 1062208909 /nfs/dbraw/zinc/20/89/09/1062208909.db2.gz ZNYWAFRZLFUQKD-FUHIMQAGSA-N 1 0 303.490 4.294 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001474523528 1062209289 /nfs/dbraw/zinc/20/92/89/1062209289.db2.gz ZNYWAFRZLFUQKD-MBOZVWFJSA-N 1 0 303.490 4.294 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001254643431 1062212682 /nfs/dbraw/zinc/21/26/82/1062212682.db2.gz NYZLIJSGLAFVPH-ONGXEEELSA-N 1 0 302.727 4.141 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C1 ZINC001254649082 1062213548 /nfs/dbraw/zinc/21/35/48/1062213548.db2.gz MQAHNPVLMAICPV-KWQFWETISA-N 1 0 303.620 4.429 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2c3ccccc3CCc3ccccc32)C1 ZINC001254645939 1062214183 /nfs/dbraw/zinc/21/41/83/1062214183.db2.gz IFZVTDOFKQGKIN-VQIMIIECSA-N 1 0 316.448 4.199 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC001254643789 1062214234 /nfs/dbraw/zinc/21/42/34/1062214234.db2.gz MZYCSOQYSUEEKR-WPGHFRTFSA-N 1 0 319.246 4.108 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCC2)C1 ZINC001254650028 1062214290 /nfs/dbraw/zinc/21/42/90/1062214290.db2.gz XAOYFRJNDAAVSR-HOCLYGCPSA-N 1 0 322.374 4.452 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)c2F)C1 ZINC001254649124 1062214504 /nfs/dbraw/zinc/21/45/04/1062214504.db2.gz NLEKIZUCKSAUCT-KCJUWKMLSA-N 1 0 320.717 4.280 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001254644197 1062215426 /nfs/dbraw/zinc/21/54/26/1062215426.db2.gz VPXGSLDDVNGEMU-ZJUUUORDSA-N 1 0 302.727 4.141 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001459568347 1062216808 /nfs/dbraw/zinc/21/68/08/1062216808.db2.gz AHQLLBKKSJTNHR-ORAYPTAESA-N 1 0 312.363 4.420 20 30 DIEDRO CCc1ccccc1-c1nc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cs1 ZINC001254652990 1062217398 /nfs/dbraw/zinc/21/73/98/1062217398.db2.gz INEHYWFMZJDFIQ-UKRRQHHQSA-N 1 0 311.454 4.154 20 30 DIEDRO CC(C)(Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254654794 1062219383 /nfs/dbraw/zinc/21/93/83/1062219383.db2.gz AKAKZULYYSQURN-OCCSQVGLSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CCC2)C1 ZINC001254659112 1062219661 /nfs/dbraw/zinc/21/96/61/1062219661.db2.gz ZIQSEFPGLXOSHI-HIFRSBDPSA-N 1 0 322.374 4.452 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc3nc(-c4ccccc4)oc3c2)C1 ZINC001254655577 1062220034 /nfs/dbraw/zinc/22/00/34/1062220034.db2.gz DUFOAMUZNCJZMO-YOEHRIQHSA-N 1 0 317.392 4.277 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)C1 ZINC001254667966 1062221890 /nfs/dbraw/zinc/22/18/90/1062221890.db2.gz FUYHFZPESZUYAP-PBEJRMEISA-N 1 0 302.421 4.326 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001254670561 1062222896 /nfs/dbraw/zinc/22/28/96/1062222896.db2.gz JOYLLQYBHIFUNT-FRRDWIJNSA-N 1 0 309.240 4.475 20 30 DIEDRO Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@@H]1CC[C@@H](C#N)C1 ZINC001254672426 1062223079 /nfs/dbraw/zinc/22/30/79/1062223079.db2.gz AYGRXVDQOKWKFC-NVXWUHKLSA-N 1 0 307.441 4.282 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001254667426 1062223136 /nfs/dbraw/zinc/22/31/36/1062223136.db2.gz BZRQTZVLGVGQKM-BPQIPLTHSA-N 1 0 318.848 4.013 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001254670558 1062223365 /nfs/dbraw/zinc/22/33/65/1062223365.db2.gz JOYLLQYBHIFUNT-AGIUHOORSA-N 1 0 309.240 4.475 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001254670563 1062224038 /nfs/dbraw/zinc/22/40/38/1062224038.db2.gz JOYLLQYBHIFUNT-JHJVBQTASA-N 1 0 309.240 4.475 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3cnc4ccccc4c3)CC2)C1 ZINC001254674896 1062225491 /nfs/dbraw/zinc/22/54/91/1062225491.db2.gz AKWYMHMVFKMVDI-YLJYHZDGSA-N 1 0 319.452 4.182 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254673921 1062225585 /nfs/dbraw/zinc/22/55/85/1062225585.db2.gz REGUZJRTGBLZQL-CVGURMSBSA-N 1 0 321.251 4.259 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC001254670808 1062226244 /nfs/dbraw/zinc/22/62/44/1062226244.db2.gz MOJBTLMCTMUCJS-RTWAWAEBSA-N 1 0 304.437 4.424 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(Cc3c(F)cccc3Cl)CC2)C1 ZINC001254670812 1062227713 /nfs/dbraw/zinc/22/77/13/1062227713.db2.gz MPYJPAXUBLRDOZ-CABCVRRESA-N 1 0 320.839 4.426 20 30 DIEDRO CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)[C@H]1CC[C@@H](C#N)C1 ZINC001254674379 1062228011 /nfs/dbraw/zinc/22/80/11/1062228011.db2.gz YEPYRHITURATQU-CZAAIQMYSA-N 1 0 322.452 4.276 20 30 DIEDRO N#C[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCSCC2)C1 ZINC001254676917 1062229489 /nfs/dbraw/zinc/22/94/89/1062229489.db2.gz OOMYGUNKROXYIV-WMZOPIPTSA-N 1 0 300.471 4.076 20 30 DIEDRO C#C[C@@H]([NH2+]C1CC(C(C)C)C1)c1ccc(Br)cc1 ZINC001474545176 1062239826 /nfs/dbraw/zinc/23/98/26/1062239826.db2.gz BQFVYQHBLVMJPH-AVVWSFFYSA-N 1 0 306.247 4.148 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)C1 ZINC001474545002 1062240929 /nfs/dbraw/zinc/24/09/29/1062240929.db2.gz ZPWNXZIEEHJXJM-YQQAZPJKSA-N 1 0 313.420 4.407 20 30 DIEDRO C=CCC[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254788783 1062251105 /nfs/dbraw/zinc/25/11/05/1062251105.db2.gz DVZNPXIYTIJFFH-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1)C(C)(C)C ZINC001254787391 1062251991 /nfs/dbraw/zinc/25/19/91/1062251991.db2.gz WUPJQLCOWQAFSQ-OAHLLOKOSA-N 1 0 322.493 4.063 20 30 DIEDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCc2ccc(C#N)cc2)o1 ZINC001459643037 1062270209 /nfs/dbraw/zinc/27/02/09/1062270209.db2.gz IMCXWLZUZIGPKN-BEFAXECRSA-N 1 0 308.425 4.475 20 30 DIEDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001459644789 1062276985 /nfs/dbraw/zinc/27/69/85/1062276985.db2.gz CZMZEELRBYPCRF-NRFANRHFSA-N 1 0 307.412 4.433 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC001474579553 1062289782 /nfs/dbraw/zinc/28/97/82/1062289782.db2.gz IHRSSMPGITUUMX-SFHVURJKSA-N 1 0 314.432 4.105 20 30 DIEDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1(C)C ZINC001474585199 1062294254 /nfs/dbraw/zinc/29/42/54/1062294254.db2.gz LVXNIMAZTAHYED-IPMKNSEASA-N 1 0 312.457 4.117 20 30 DIEDRO C=C(CC)C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC001474582089 1062294294 /nfs/dbraw/zinc/29/42/94/1062294294.db2.gz ZLYPKSJTODVTJX-UHFFFAOYSA-N 1 0 312.226 4.390 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C ZINC001459680814 1062301718 /nfs/dbraw/zinc/30/17/18/1062301718.db2.gz BOUZBYNSOKHXEZ-VQTJNVASSA-N 1 0 303.490 4.499 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001474591291 1062304955 /nfs/dbraw/zinc/30/49/55/1062304955.db2.gz DYAWGGUKQDXQKS-XZBIERFOSA-N 1 0 322.374 4.412 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC001474592031 1062305210 /nfs/dbraw/zinc/30/52/10/1062305210.db2.gz TXMCSTGHTDYHAD-DBWMJRBXSA-N 1 0 319.452 4.330 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC001474592033 1062306077 /nfs/dbraw/zinc/30/60/77/1062306077.db2.gz TXMCSTGHTDYHAD-JKNJVXJCSA-N 1 0 319.452 4.330 20 30 DIEDRO C=CC[C@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC001459706223 1062324338 /nfs/dbraw/zinc/32/43/38/1062324338.db2.gz BLRPOERMZFGOQW-HNNXBMFYSA-N 1 0 315.436 4.055 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C1(c2ccccc2Br)CCC1 ZINC001474610193 1062326863 /nfs/dbraw/zinc/32/68/63/1062326863.db2.gz TUHISCKQMZNXJI-CYBMUJFWSA-N 1 0 321.262 4.358 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1 ZINC001255157598 1062346063 /nfs/dbraw/zinc/34/60/63/1062346063.db2.gz SEWSLWZCCGNGDG-SXLOBPIMSA-N 1 0 306.409 4.197 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CC1(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001255161101 1062346887 /nfs/dbraw/zinc/34/68/87/1062346887.db2.gz UNBVBMUHEWZAJB-HNNXBMFYSA-N 1 0 310.363 4.310 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001255162761 1062347884 /nfs/dbraw/zinc/34/78/84/1062347884.db2.gz YJDLNFCRKKLPIL-HNNXBMFYSA-N 1 0 321.415 4.102 20 30 DIEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001255176663 1062352372 /nfs/dbraw/zinc/35/23/72/1062352372.db2.gz CWMSNQAVRAZJNS-IRXDYDNUSA-N 1 0 300.446 4.345 20 30 DIEDRO CCCCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255185474 1062352714 /nfs/dbraw/zinc/35/27/14/1062352714.db2.gz NHDHOMYOYBXPKL-OSYLJGHBSA-N 1 0 310.482 4.088 20 30 DIEDRO CC[C@H](CC#N)[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001255177441 1062353283 /nfs/dbraw/zinc/35/32/83/1062353283.db2.gz RYYDSNGFLYMWDM-CVEARBPZSA-N 1 0 321.262 4.148 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255198951 1062356231 /nfs/dbraw/zinc/35/62/31/1062356231.db2.gz QYIPGUNCCUJKHG-ZJPYXAASSA-N 1 0 324.509 4.477 20 30 DIEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCOc1ccccc1C#N ZINC001459749175 1062358996 /nfs/dbraw/zinc/35/89/96/1062358996.db2.gz TZUVRFHWOYIUSW-HXUWFJFHSA-N 1 0 322.452 4.280 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255245278 1062366577 /nfs/dbraw/zinc/36/65/77/1062366577.db2.gz BBTQCNVVQNQOEY-FVQHAEBGSA-N 1 0 322.493 4.205 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCC(C)(C)CC1)C2 ZINC001255304166 1062383853 /nfs/dbraw/zinc/38/38/53/1062383853.db2.gz HKYUSPGYFPPXHI-QUCCMNQESA-N 1 0 321.505 4.029 20 30 DIEDRO N#CCc1cccc2c1CC[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001474654286 1062385961 /nfs/dbraw/zinc/38/59/61/1062385961.db2.gz CZMUZSKPQLXWIU-UHFFFAOYSA-N 1 0 302.421 4.188 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC001474660670 1062392229 /nfs/dbraw/zinc/39/22/29/1062392229.db2.gz RVIBDUPFEBUQNS-HNNXBMFYSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001474660466 1062392373 /nfs/dbraw/zinc/39/23/73/1062392373.db2.gz OGAKMMDMJAAZCQ-IBGZPJMESA-N 1 0 324.509 4.216 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nnc(-c2ccc(Cl)cc2C)o1 ZINC001255318194 1062395997 /nfs/dbraw/zinc/39/59/97/1062395997.db2.gz VNAODULLCKOPGN-UHFFFAOYSA-N 1 0 317.820 4.198 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC001474676311 1062405440 /nfs/dbraw/zinc/40/54/40/1062405440.db2.gz LFHCVLPWBWEKHK-FHWLQOOXSA-N 1 0 315.457 4.233 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC(c3ccc(Cl)cc3)C1)C2 ZINC001474677353 1062408222 /nfs/dbraw/zinc/40/82/22/1062408222.db2.gz KJZBEMFDDALAPO-SYYJFZTOSA-N 1 0 322.839 4.215 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CCCC1 ZINC001468884775 1062426110 /nfs/dbraw/zinc/42/61/10/1062426110.db2.gz IROPZBJCZHKTBK-UHFFFAOYSA-N 1 0 300.446 4.132 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001474697594 1062426648 /nfs/dbraw/zinc/42/66/48/1062426648.db2.gz ZRPJGXBWMMYWES-LJQANCHMSA-N 1 0 324.509 4.216 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1C ZINC001474703037 1062429437 /nfs/dbraw/zinc/42/94/37/1062429437.db2.gz ZXVRSJBEPHHSLU-YQHFOJDRSA-N 1 0 320.436 4.278 20 30 DIEDRO CSc1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1C#N ZINC001474704625 1062432266 /nfs/dbraw/zinc/43/22/66/1062432266.db2.gz FGBJYZKSWYOEFU-MRXNPFEDSA-N 1 0 308.450 4.100 20 30 DIEDRO CC(C)[C@H]1CCCCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001459832164 1062433574 /nfs/dbraw/zinc/43/35/74/1062433574.db2.gz FEKCPTWNAUICMB-LJQANCHMSA-N 1 0 300.446 4.228 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](c2ccc(F)cc2F)C2CC2)CC1 ZINC001459838755 1062438878 /nfs/dbraw/zinc/43/88/78/1062438878.db2.gz SDNLQLIFXIHIQG-KJBLDROHSA-N 1 0 304.384 4.335 20 30 DIEDRO CC(C)c1ccc(O)c(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC001474716482 1062443294 /nfs/dbraw/zinc/44/32/94/1062443294.db2.gz NRUNCCADXNGVFD-UHFFFAOYSA-N 1 0 322.452 4.498 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC001459846706 1062443703 /nfs/dbraw/zinc/44/37/03/1062443703.db2.gz JIVJGUSWJUOMFS-KLAILNCOSA-N 1 0 300.446 4.454 20 30 DIEDRO C=CCOCC[NH2+][C@H](CC(C)C)c1cc(Cl)ccc1OC ZINC001459846223 1062443837 /nfs/dbraw/zinc/44/38/37/1062443837.db2.gz WEXBVCYDRNMDJG-MRXNPFEDSA-N 1 0 311.853 4.228 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCOc1ccccc1OC)c1ccccc1 ZINC001459851800 1062449935 /nfs/dbraw/zinc/44/99/35/1062449935.db2.gz OVAYERYKPWVZCE-GOSISDBHSA-N 1 0 311.425 4.371 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]CCc1ccc(C#N)cc1 ZINC001459855690 1062451570 /nfs/dbraw/zinc/45/15/70/1062451570.db2.gz VKOFKPNBZPBORO-LJQANCHMSA-N 1 0 308.425 4.240 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CSCc3ccccc32)C1 ZINC001255453631 1062451935 /nfs/dbraw/zinc/45/19/35/1062451935.db2.gz HEADEHVGGJRRDY-SKINQDTJSA-N 1 0 320.461 4.188 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]CCc1ccc(C#N)cc1 ZINC001459855689 1062453145 /nfs/dbraw/zinc/45/31/45/1062453145.db2.gz VKOFKPNBZPBORO-IBGZPJMESA-N 1 0 308.425 4.240 20 30 DIEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC001459859195 1062455093 /nfs/dbraw/zinc/45/50/93/1062455093.db2.gz QKONQDUJTOHZPA-IEBWSBKVSA-N 1 0 314.473 4.117 20 30 DIEDRO C#Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001474743387 1062459747 /nfs/dbraw/zinc/45/97/47/1062459747.db2.gz KOLPBNNQDCEHER-UTKZUKDTSA-N 1 0 304.437 4.133 20 30 DIEDRO [NH2+]=C(NC1CCC(C(F)(F)F)CC1)c1ccc2ccccc2n1 ZINC001255509204 1062467198 /nfs/dbraw/zinc/46/71/98/1062467198.db2.gz CVWDSKVPQJBJGB-UHFFFAOYSA-N 1 0 321.346 4.061 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CC3CCC(F)(F)CC3)CC2)cc1 ZINC001459884662 1062471399 /nfs/dbraw/zinc/47/13/99/1062471399.db2.gz VYFPRCMDAFBTED-UHFFFAOYSA-N 1 0 316.395 4.473 20 30 DIEDRO C=CCCCCC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC001459925932 1062500805 /nfs/dbraw/zinc/50/08/05/1062500805.db2.gz BLQSUFABKXIYII-MRXNPFEDSA-N 1 0 315.379 4.158 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001469239141 1062509054 /nfs/dbraw/zinc/50/90/54/1062509054.db2.gz WBEDUGBTOIWMOX-ANIPCXSSSA-N 1 0 320.521 4.236 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)(CC1)CC2 ZINC001255692186 1062519624 /nfs/dbraw/zinc/51/96/24/1062519624.db2.gz MZSTVBYDPBXKEB-LMRVLLHPSA-N 1 0 300.368 4.314 20 30 DIEDRO CCC1(CC)CCC[N@H+](CCOc2ccccc2C#N)CC1 ZINC001459951883 1062519663 /nfs/dbraw/zinc/51/96/63/1062519663.db2.gz WCPWTZVMJHEWCW-UHFFFAOYSA-N 1 0 300.446 4.229 20 30 DIEDRO FC[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H]1C(F)(F)F ZINC001255705272 1062530482 /nfs/dbraw/zinc/53/04/82/1062530482.db2.gz JASYATRZNZPXFS-GWOFURMSSA-N 1 0 321.280 4.187 20 30 DIEDRO FC[C@@H]1C[N@@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1C(F)(F)F ZINC001255705274 1062530542 /nfs/dbraw/zinc/53/05/42/1062530542.db2.gz JASYATRZNZPXFS-VPOLOUISSA-N 1 0 321.280 4.187 20 30 DIEDRO C#CCCCCCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC001460004571 1062560379 /nfs/dbraw/zinc/56/03/79/1062560379.db2.gz SURXDPPBRIFUAQ-LJQANCHMSA-N 1 0 319.876 4.215 20 30 DIEDRO C=C(CC)C[N@@H+](Cc1ccc(OC)cc1OC)CC1CCC1 ZINC001460008924 1062568885 /nfs/dbraw/zinc/56/88/85/1062568885.db2.gz XIIDBFXRIUPOHM-UHFFFAOYSA-N 1 0 303.446 4.272 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@H+](CC2CC2)C2CCC2)cc1 ZINC001460024518 1062578114 /nfs/dbraw/zinc/57/81/14/1062578114.db2.gz WZDUCYSXDRWOSV-UHFFFAOYSA-N 1 0 307.359 4.321 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccc(OC(C)C)c(Cl)c1 ZINC001460030389 1062587656 /nfs/dbraw/zinc/58/76/56/1062587656.db2.gz FSXLIZIHHVMTRJ-UHFFFAOYSA-N 1 0 324.896 4.067 20 30 DIEDRO Cc1ccc(C[C@@H](C)NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC001255772520 1062597662 /nfs/dbraw/zinc/59/76/62/1062597662.db2.gz JORYTZVMYNBWTF-CYBMUJFWSA-N 1 0 320.358 4.350 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1Cl ZINC001460055079 1062602630 /nfs/dbraw/zinc/60/26/30/1062602630.db2.gz LILHTFORDQWMGT-CQSZACIVSA-N 1 0 314.816 4.331 20 30 DIEDRO CCCC1CCC([N@H+](C)CCOc2ccccc2C#N)CC1 ZINC001460054310 1062603312 /nfs/dbraw/zinc/60/33/12/1062603312.db2.gz KIDBIHVYQZHBGS-UHFFFAOYSA-N 1 0 300.446 4.228 20 30 DIEDRO Cc1ccc([C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)c(C)c1 ZINC001460056026 1062607075 /nfs/dbraw/zinc/60/70/75/1062607075.db2.gz QIEXYEZXTJFZKJ-QGZVFWFLSA-N 1 0 308.400 4.304 20 30 DIEDRO C=CCCCC[N@H+]1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001460069929 1062615357 /nfs/dbraw/zinc/61/53/57/1062615357.db2.gz JGSMMCFQZDVTIU-ROUUACIJSA-N 1 0 322.493 4.066 20 30 DIEDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC001460083339 1062624125 /nfs/dbraw/zinc/62/41/25/1062624125.db2.gz JZLIRWDIJZLDML-UWJYYQICSA-N 1 0 320.436 4.410 20 30 DIEDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001255839333 1062624379 /nfs/dbraw/zinc/62/43/79/1062624379.db2.gz VARBSINRGMTYEX-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1ccccc1F)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001255842435 1062627167 /nfs/dbraw/zinc/62/71/67/1062627167.db2.gz SFIMKARBJXTMTG-KRWDZBQOSA-N 1 0 322.427 4.314 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC=C(c3ccccc3)C2)c1 ZINC001460087246 1062629283 /nfs/dbraw/zinc/62/92/83/1062629283.db2.gz XSDABAXOACWUOR-UHFFFAOYSA-N 1 0 318.420 4.116 20 30 DIEDRO CCCC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCCC[C@H]1OC ZINC001460098730 1062633778 /nfs/dbraw/zinc/63/37/78/1062633778.db2.gz CKGNFNUSANQPHM-IAGOWNOFSA-N 1 0 306.475 4.179 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001255855803 1062635668 /nfs/dbraw/zinc/63/56/68/1062635668.db2.gz HGFCPDHXQZUGMM-NSHDSACASA-N 1 0 324.321 4.181 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001255863867 1062640972 /nfs/dbraw/zinc/64/09/72/1062640972.db2.gz RPCIOXVRGOBLJY-ZDUSSCGKSA-N 1 0 322.383 4.021 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001460112161 1062646109 /nfs/dbraw/zinc/64/61/09/1062646109.db2.gz FYSIAZKVFXDNAI-IYBDPMFKSA-N 1 0 323.358 4.059 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc2c(Br)cccc12 ZINC001460131698 1062652213 /nfs/dbraw/zinc/65/22/13/1062652213.db2.gz OLAKQFBFCVSBDR-QGZVFWFLSA-N 1 0 316.242 4.494 20 30 DIEDRO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC001460139866 1062656749 /nfs/dbraw/zinc/65/67/49/1062656749.db2.gz XPYHWTFKUVLJLK-QGZVFWFLSA-N 1 0 313.401 4.059 20 30 DIEDRO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H]1CCCCC12CCCC2 ZINC001460139851 1062657170 /nfs/dbraw/zinc/65/71/70/1062657170.db2.gz XPYHWTFKUVLJLK-KRWDZBQOSA-N 1 0 313.401 4.059 20 30 DIEDRO C[N@H+](CCC1(C#N)CCCCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001460140727 1062657229 /nfs/dbraw/zinc/65/72/29/1062657229.db2.gz CVCDCKNSXQPOOV-KRWDZBQOSA-N 1 0 320.864 4.169 20 30 DIEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001256109733 1062710451 /nfs/dbraw/zinc/71/04/51/1062710451.db2.gz PJTXUJQACBIAOZ-VQTJNVASSA-N 1 0 320.436 4.253 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001460227544 1062711795 /nfs/dbraw/zinc/71/17/95/1062711795.db2.gz RAIJVTDWATWPRV-ZWKOTPCHSA-N 1 0 314.473 4.247 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001460257456 1062735881 /nfs/dbraw/zinc/73/58/81/1062735881.db2.gz LJMYXOHUWWOKGV-HXUWFJFHSA-N 1 0 320.436 4.357 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[NH+]1CCC(C)(C#N)CC1 ZINC001256190149 1062745883 /nfs/dbraw/zinc/74/58/83/1062745883.db2.gz KGRZEJFHUNGSMH-ZDUSSCGKSA-N 1 0 321.262 4.006 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001460267838 1062746279 /nfs/dbraw/zinc/74/62/79/1062746279.db2.gz WRMIURGSNLSWHJ-JKSUJKDBSA-N 1 0 315.417 4.113 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C1(CC#N)CCCC1 ZINC001256188104 1062747096 /nfs/dbraw/zinc/74/70/96/1062747096.db2.gz ZQAAZXHSTSNYAF-ZDUSSCGKSA-N 1 0 321.262 4.196 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001470297615 1062747238 /nfs/dbraw/zinc/74/72/38/1062747238.db2.gz PMEOOUJHQDVRTC-ZWKOTPCHSA-N 1 0 310.526 4.220 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001460267831 1062746939 /nfs/dbraw/zinc/74/69/39/1062746939.db2.gz WRMIURGSNLSWHJ-CVEARBPZSA-N 1 0 315.417 4.113 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001256229155 1062752599 /nfs/dbraw/zinc/75/25/99/1062752599.db2.gz MUWRNMWUYMJAIJ-HIFRSBDPSA-N 1 0 321.262 4.006 20 30 DIEDRO CCC[N@H+](CCC#N)[C@H](C)CCc1ccc(Br)cc1 ZINC001256226573 1062754492 /nfs/dbraw/zinc/75/44/92/1062754492.db2.gz PGXGGAJGCAZSPS-CQSZACIVSA-N 1 0 323.278 4.396 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC001256303604 1062769448 /nfs/dbraw/zinc/76/94/48/1062769448.db2.gz RREOWLLURDTLPZ-UHFFFAOYSA-N 1 0 324.855 4.080 20 30 DIEDRO C=CCCCCCCCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001470425545 1062776946 /nfs/dbraw/zinc/77/69/46/1062776946.db2.gz LOGJZCZDNKOUTB-UHFFFAOYSA-N 1 0 323.525 4.075 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)cc1C#N ZINC001460330118 1062787057 /nfs/dbraw/zinc/78/70/57/1062787057.db2.gz AYZXUSYIQVPKGJ-HNNXBMFYSA-N 1 0 308.400 4.168 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CCC(C)C)[C@@H]2CC ZINC001256365474 1062791018 /nfs/dbraw/zinc/79/10/18/1062791018.db2.gz QMFYWSMPNGTDDV-NSHGMRRFSA-N 1 0 320.521 4.233 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC001477188736 1062804908 /nfs/dbraw/zinc/80/49/08/1062804908.db2.gz QYKFLRVXVFBCFI-UHFFFAOYSA-N 1 0 315.461 4.104 20 30 DIEDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001460399131 1062833237 /nfs/dbraw/zinc/83/32/37/1062833237.db2.gz CMHPUGLPPSLILN-PMACEKPBSA-N 1 0 320.436 4.046 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256477451 1062835891 /nfs/dbraw/zinc/83/58/91/1062835891.db2.gz AXDSMWGAESMLJN-JKSUJKDBSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001460410317 1062842128 /nfs/dbraw/zinc/84/21/28/1062842128.db2.gz NYAASFHNDGRPCO-YJBOKZPZSA-N 1 0 323.440 4.074 20 30 DIEDRO C=CCCCCC[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC001460467175 1062863601 /nfs/dbraw/zinc/86/36/01/1062863601.db2.gz NAXRGNSIQZRSFG-MRXNPFEDSA-N 1 0 315.379 4.249 20 30 DIEDRO CCCCCCCC[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC001256590570 1062905377 /nfs/dbraw/zinc/90/53/77/1062905377.db2.gz IJVILHHSOIJWMZ-UHFFFAOYSA-N 1 0 317.521 4.338 20 30 DIEDRO C=CCC1([NH2+]CCOCC(F)(F)C(F)(F)F)CCCCC1 ZINC001460630943 1062949062 /nfs/dbraw/zinc/94/90/62/1062949062.db2.gz PHTHUSXFYGMFFM-UHFFFAOYSA-N 1 0 315.326 4.069 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)CCCCC1 ZINC001460630095 1062950804 /nfs/dbraw/zinc/95/08/04/1062950804.db2.gz IGACEWPDYBWWLD-UHFFFAOYSA-N 1 0 324.827 4.286 20 30 DIEDRO C[C@]1(c2ccc(C(F)(F)F)cc2)CCC[N@@H+]1CC1(C#N)CC1 ZINC001460635794 1062953430 /nfs/dbraw/zinc/95/34/30/1062953430.db2.gz HJVFTXCEMQHTBB-OAHLLOKOSA-N 1 0 308.347 4.320 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001256793681 1062981933 /nfs/dbraw/zinc/98/19/33/1062981933.db2.gz RFSVORQNDRUYPQ-WOJBJXKFSA-N 1 0 318.420 4.057 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256793450 1062982171 /nfs/dbraw/zinc/98/21/71/1062982171.db2.gz PGXOBJRNELSVCL-UIFIKXQLSA-N 1 0 318.420 4.055 20 30 DIEDRO COC(=O)C(C)(C)C[N@H+](CCC1(C#N)CCCCC1)CC(C)C ZINC001460695268 1062990552 /nfs/dbraw/zinc/99/05/52/1062990552.db2.gz MHEBUZZETOJSSK-UHFFFAOYSA-N 1 0 322.493 4.008 20 30 DIEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@]1(CC)CCc1ccccc1 ZINC001460707725 1063003241 /nfs/dbraw/zinc/00/32/41/1063003241.db2.gz JVEQIXYVGMJTNZ-PMACEKPBSA-N 1 0 301.474 4.191 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH2+]C1(CC#N)CCCC1 ZINC001256838783 1063008961 /nfs/dbraw/zinc/00/89/61/1063008961.db2.gz SBVVNRYMHNROQC-CYBMUJFWSA-N 1 0 321.262 4.196 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001256845172 1063013182 /nfs/dbraw/zinc/01/31/82/1063013182.db2.gz VMIONCFTCJTEPB-ZIAGYGMSSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001256845170 1063014329 /nfs/dbraw/zinc/01/43/29/1063014329.db2.gz VMIONCFTCJTEPB-KGLIPLIRSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H]([NH2+]CCc1nsc2ccccc21)c1cccc(C#N)c1 ZINC001460749942 1063034467 /nfs/dbraw/zinc/03/44/67/1063034467.db2.gz UZEQUVICXSPUHM-CYBMUJFWSA-N 1 0 307.422 4.061 20 30 DIEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001460749340 1063034948 /nfs/dbraw/zinc/03/49/48/1063034948.db2.gz SHEKTFJGJGWXQM-AWEZNQCLSA-N 1 0 301.792 4.490 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC001460758034 1063045134 /nfs/dbraw/zinc/04/51/34/1063045134.db2.gz RTUYLHNYLKLSHC-JXFKEZNVSA-N 1 0 306.409 4.020 20 30 DIEDRO N#CC1CCC([NH2+]CCSCc2ccccc2Cl)CC1 ZINC001256955858 1063057621 /nfs/dbraw/zinc/05/76/21/1063057621.db2.gz CISNKJHYYOYLSZ-UHFFFAOYSA-N 1 0 308.878 4.245 20 30 DIEDRO CCCCCC[C@](CC)([NH2+]C1CCC(C#N)CC1)C(=O)OCC ZINC001256963624 1063060683 /nfs/dbraw/zinc/06/06/83/1063060683.db2.gz LNQZDKQKAHHDIQ-TVPLGVNVSA-N 1 0 322.493 4.341 20 30 DIEDRO Cc1ccc2c(c1)C1(CC2)CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256967927 1063062684 /nfs/dbraw/zinc/06/26/84/1063062684.db2.gz MFGDHDLVUJSNJH-UHFFFAOYSA-N 1 0 308.469 4.357 20 30 DIEDRO COc1cccc([C@H]([NH2+]C2CCC(C#N)CC2)c2ccccc2)c1 ZINC001256959825 1063062737 /nfs/dbraw/zinc/06/27/37/1063062737.db2.gz TZPCHDLYKCPTFG-VFIGECHUSA-N 1 0 320.436 4.457 20 30 DIEDRO C[C@H]1C[N@@H+](C2CCC(C#N)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001256970046 1063063421 /nfs/dbraw/zinc/06/34/21/1063063421.db2.gz SCTITCGGXSBSPS-XXCQWMQFSA-N 1 0 312.457 4.074 20 30 DIEDRO N#CC1CCC([N@@H+]2CCC[C@]3(CCc4c3cccc4F)C2)CC1 ZINC001256971300 1063063542 /nfs/dbraw/zinc/06/35/42/1063063542.db2.gz NWTXTBXEUPYKNL-PMTKGXAQSA-N 1 0 312.432 4.188 20 30 DIEDRO C[C@H]1OC2(CC[NH+](C3CCC(C#N)CC3)CC2)c2ccccc21 ZINC001256970745 1063063822 /nfs/dbraw/zinc/06/38/22/1063063822.db2.gz CXBXNJGJTQBQQU-KLAILNCOSA-N 1 0 310.441 4.151 20 30 DIEDRO N#CC1CCC([NH+]2CCC(Cc3ccc(F)cc3F)CC2)CC1 ZINC001256973126 1063064649 /nfs/dbraw/zinc/06/46/49/1063064649.db2.gz LTXUSSSQKYFPTL-UHFFFAOYSA-N 1 0 318.411 4.302 20 30 DIEDRO N#CC1CCC([NH+]2CCC(n3ccc4ccccc43)CC2)CC1 ZINC001256973144 1063065535 /nfs/dbraw/zinc/06/55/35/1063065535.db2.gz MBKDFXHUDWRMGD-UHFFFAOYSA-N 1 0 307.441 4.361 20 30 DIEDRO N#CC1CCC([N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC001256973133 1063065931 /nfs/dbraw/zinc/06/59/31/1063065931.db2.gz LXGOJYBVQYETBY-UHFFFAOYSA-N 1 0 308.347 4.146 20 30 DIEDRO CCCCCCCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001472326813 1063074774 /nfs/dbraw/zinc/07/47/74/1063074774.db2.gz AUIIKCGTRJMNPP-ROUUACIJSA-N 1 0 308.510 4.068 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]C3CCC(F)CC3)CC2)cc1 ZINC001257007451 1063074831 /nfs/dbraw/zinc/07/48/31/1063074831.db2.gz ACCVCVUQGOIFIJ-UHFFFAOYSA-N 1 0 300.421 4.455 20 30 DIEDRO CCCCC(=O)[C@H](C)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011102 1063077587 /nfs/dbraw/zinc/07/75/87/1063077587.db2.gz UDCAHAUIJGMOHS-MNNVXMFVSA-N 1 0 312.457 4.322 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1ccccn1 ZINC001257009694 1063078606 /nfs/dbraw/zinc/07/86/06/1063078606.db2.gz OMNQZFGUHJPCSE-VNCLNFNDSA-N 1 0 305.425 4.330 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ncc(Br)cc1Cl ZINC001460903138 1063126903 /nfs/dbraw/zinc/12/69/03/1063126903.db2.gz WIJAESVUNJBBBM-UHFFFAOYSA-N 1 0 317.658 4.286 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]Cc3ccc(O)cc3)CC2)cc1 ZINC001257009788 1063078876 /nfs/dbraw/zinc/07/88/76/1063078876.db2.gz PUWKPFOPHRQEOG-UHFFFAOYSA-N 1 0 306.409 4.080 20 30 DIEDRO CC(C)n1cncc1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013547 1063079501 /nfs/dbraw/zinc/07/95/01/1063079501.db2.gz GETULOMHBGDZJP-UHFFFAOYSA-N 1 0 322.456 4.152 20 30 DIEDRO CC(C)n1cnc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001257013697 1063080282 /nfs/dbraw/zinc/08/02/82/1063080282.db2.gz KBOSTBVDOILIKH-UHFFFAOYSA-N 1 0 322.456 4.152 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]C34CCC(O)(CC3)CC4)CC2)cc1 ZINC001257012958 1063080722 /nfs/dbraw/zinc/08/07/22/1063080722.db2.gz UXANOWKKIKPRIY-UHFFFAOYSA-N 1 0 324.468 4.012 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]COc3ccccc3)CC2)cc1 ZINC001257012581 1063080844 /nfs/dbraw/zinc/08/08/44/1063080844.db2.gz KAEVSFWKOJUHGG-UHFFFAOYSA-N 1 0 306.409 4.211 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@@H]4OCCC[C@H]4C3)CC2)cc1 ZINC001257017515 1063081019 /nfs/dbraw/zinc/08/10/19/1063081019.db2.gz VKJCUKKEPBSNOM-MAHYXTOZSA-N 1 0 324.468 4.085 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]C3(c4cccnc4)CC3)CC2)cc1 ZINC001257012642 1063082345 /nfs/dbraw/zinc/08/23/45/1063082345.db2.gz MFZGDHPPBMAWEB-UHFFFAOYSA-N 1 0 317.436 4.258 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1cncc(F)c1 ZINC001257015364 1063082718 /nfs/dbraw/zinc/08/27/18/1063082718.db2.gz ITRAXVCBZQHEBJ-FNMUINPESA-N 1 0 323.415 4.469 20 30 DIEDRO C[N@H+](CCc1ccncc1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257021154 1063083415 /nfs/dbraw/zinc/08/34/15/1063083415.db2.gz PYQGVGVDBLJTTN-UHFFFAOYSA-N 1 0 319.452 4.154 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001257021520 1063084480 /nfs/dbraw/zinc/08/44/80/1063084480.db2.gz VJKWQLKDWJZDQP-CGZBRXJRSA-N 1 0 322.374 4.469 20 30 DIEDRO C[N@H+](Cc1cncs1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257022211 1063084728 /nfs/dbraw/zinc/08/47/28/1063084728.db2.gz IHEZXPKWZLRYLZ-UHFFFAOYSA-N 1 0 311.454 4.173 20 30 DIEDRO C[NH2+]Cc1ccc(NC2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001257021024 1063085773 /nfs/dbraw/zinc/08/57/73/1063085773.db2.gz MADVXFIUOGWNLT-UHFFFAOYSA-N 1 0 319.452 4.416 20 30 DIEDRO CCCO[C@H]1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257021320 1063086240 /nfs/dbraw/zinc/08/62/40/1063086240.db2.gz SLEOFSZISYHUMV-MHJFOBGBSA-N 1 0 312.457 4.085 20 30 DIEDRO CC(C)C[N@H+](Cc1cc(Cl)cc(C#N)c1)Cc1ccccn1 ZINC001460832944 1063090305 /nfs/dbraw/zinc/09/03/05/1063090305.db2.gz QOHNTHTWIFPLFZ-UHFFFAOYSA-N 1 0 313.832 4.265 20 30 DIEDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC001460864973 1063106014 /nfs/dbraw/zinc/10/60/14/1063106014.db2.gz HIVMCSGXEIPZAI-HXUWFJFHSA-N 1 0 304.437 4.369 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1cc(F)ccc1C#N)c1ccccc1 ZINC001472635107 1063112524 /nfs/dbraw/zinc/11/25/24/1063112524.db2.gz PLNNLRWFNOBSTH-IBGZPJMESA-N 1 0 311.404 4.192 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[NH+]3CCC(C#N)CC3)ccc2c1 ZINC001257277888 1063176806 /nfs/dbraw/zinc/17/68/06/1063176806.db2.gz NNOHXVJRFKISJQ-INIZCTEOSA-N 1 0 322.452 4.405 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[NH2+]CC3(C#N)CC3)ccc2c1 ZINC001257274848 1063177958 /nfs/dbraw/zinc/17/79/58/1063177958.db2.gz LXCOIDAXMZNHNE-OAHLLOKOSA-N 1 0 308.425 4.063 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001472726537 1063187633 /nfs/dbraw/zinc/18/76/33/1063187633.db2.gz GKLJKTUQWGXJPS-RDJZCZTQSA-N 1 0 323.415 4.081 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC1(c2ccccc2)CCCC1 ZINC001461026440 1063200844 /nfs/dbraw/zinc/20/08/44/1063200844.db2.gz QJAQMHHSELSBFX-UHFFFAOYSA-N 1 0 319.448 4.300 20 30 DIEDRO CCCC(CCC)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001257329349 1063211566 /nfs/dbraw/zinc/21/15/66/1063211566.db2.gz WYIFLPUABSIPMM-UHFFFAOYSA-N 1 0 313.489 4.081 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C(CCC)CCC)C2 ZINC001257336537 1063218337 /nfs/dbraw/zinc/21/83/37/1063218337.db2.gz BKZGLZQOICJVCI-OALUTQOASA-N 1 0 309.494 4.029 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C(CCC)CCC)C2 ZINC001257336540 1063218792 /nfs/dbraw/zinc/21/87/92/1063218792.db2.gz BKZGLZQOICJVCI-RBUKOAKNSA-N 1 0 309.494 4.029 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C1 ZINC001461110380 1063261173 /nfs/dbraw/zinc/26/11/73/1063261173.db2.gz BLMSFGZKMCXXND-GOEBONIOSA-N 1 0 301.430 4.027 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001461121546 1063271796 /nfs/dbraw/zinc/27/17/96/1063271796.db2.gz OZEDHSXBSFLTHZ-WWGRRREGSA-N 1 0 313.363 4.073 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC001461126700 1063277633 /nfs/dbraw/zinc/27/76/33/1063277633.db2.gz CSTMAUCWGHEIGQ-CABCVRRESA-N 1 0 305.849 4.268 20 30 DIEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3CCCCC3)cc(C#N)c21 ZINC001257451990 1063284752 /nfs/dbraw/zinc/28/47/52/1063284752.db2.gz CETGGIDBTFVNGZ-CQSZACIVSA-N 1 0 323.440 4.026 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001257550117 1063331255 /nfs/dbraw/zinc/33/12/55/1063331255.db2.gz IZMZHAAFLGGCMA-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001257550260 1063333371 /nfs/dbraw/zinc/33/33/71/1063333371.db2.gz LRHWGKRPIUATCM-VQTJNVASSA-N 1 0 324.553 4.312 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001257555095 1063334900 /nfs/dbraw/zinc/33/49/00/1063334900.db2.gz ZXWXTIHKXMRQTP-XNRPHZJLSA-N 1 0 321.262 4.052 20 30 DIEDRO CCCC[N@H+](CCC#N)[C@@H](C)Cc1ccc(Br)cc1 ZINC001257564415 1063338576 /nfs/dbraw/zinc/33/85/76/1063338576.db2.gz LIHKMUCOYXZOIK-AWEZNQCLSA-N 1 0 323.278 4.396 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC001257567843 1063340028 /nfs/dbraw/zinc/34/00/28/1063340028.db2.gz LQPJMCRLJVXDKH-CYBMUJFWSA-N 1 0 321.262 4.006 20 30 DIEDRO C=CCCCC[N@@H+](C)C1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257592337 1063348258 /nfs/dbraw/zinc/34/82/58/1063348258.db2.gz JXSXSYWNAPUNNV-HOTGVXAUSA-N 1 0 324.509 4.451 20 30 DIEDRO CCCCCCCCCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001461231744 1063352131 /nfs/dbraw/zinc/35/21/31/1063352131.db2.gz MILPYXINNFJRBK-MSOLQXFVSA-N 1 0 308.510 4.260 20 30 DIEDRO C=C(Cl)C[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC001461238112 1063355482 /nfs/dbraw/zinc/35/54/82/1063355482.db2.gz YVOVUIVHAZBUQM-UHFFFAOYSA-N 1 0 302.643 4.069 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)C1 ZINC001461265304 1063379164 /nfs/dbraw/zinc/37/91/64/1063379164.db2.gz NVWBPMHQAQALGL-ZTFGCOKTSA-N 1 0 306.881 4.277 20 30 DIEDRO C=C(C)C[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257764154 1063381628 /nfs/dbraw/zinc/38/16/28/1063381628.db2.gz AMSHPXGZMXHSIX-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC001461282829 1063389204 /nfs/dbraw/zinc/38/92/04/1063389204.db2.gz CEJFDDHGFMFINA-KRWDZBQOSA-N 1 0 314.816 4.159 20 30 DIEDRO C=CCCC[NH2+][C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257801288 1063389453 /nfs/dbraw/zinc/38/94/53/1063389453.db2.gz VHGBGTAHFGHUGA-QFBILLFUSA-N 1 0 322.493 4.112 20 30 DIEDRO N#CC1(C[NH2+]C2CCC(OCc3ccccc3)CC2)CCCC1 ZINC001257816058 1063393579 /nfs/dbraw/zinc/39/35/79/1063393579.db2.gz FDTOBIRAHLMEQW-UHFFFAOYSA-N 1 0 312.457 4.188 20 30 DIEDRO C#CC1([NH2+]C2CCC(OCc3ccccc3)CC2)CCCCC1 ZINC001257828969 1063396016 /nfs/dbraw/zinc/39/60/16/1063396016.db2.gz VRCOJKKKHGGUSD-UHFFFAOYSA-N 1 0 311.469 4.440 20 30 DIEDRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 ZINC001473120595 1063422158 /nfs/dbraw/zinc/42/21/58/1063422158.db2.gz MJTKWWCDFXOHHE-HNNXBMFYSA-N 1 0 323.396 4.276 20 30 DIEDRO C=CC[N@@H+](CCCN(C)c1ccccc1)Cc1ccccc1F ZINC001473118272 1063423076 /nfs/dbraw/zinc/42/30/76/1063423076.db2.gz ASYGCNJYBJDHNY-UHFFFAOYSA-N 1 0 312.432 4.340 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cnccc3C(F)(F)F)C[C@H](C1)C2 ZINC001257887125 1063424844 /nfs/dbraw/zinc/42/48/44/1063424844.db2.gz JBEBOPXZAKLRGL-NNQSOWQGSA-N 1 0 310.363 4.325 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CCc3ccc(C(F)(F)F)nc3)C[C@H](C1)C2 ZINC001257887367 1063425434 /nfs/dbraw/zinc/42/54/34/1063425434.db2.gz SNDYSASLWQYNIY-XYPWUTKMSA-N 1 0 324.390 4.367 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3nc(SC)ncc3Cl)C[C@H](C1)C2 ZINC001257887976 1063425905 /nfs/dbraw/zinc/42/59/05/1063425905.db2.gz RHGKTARKIFNZPH-FUNVUKJBSA-N 1 0 323.893 4.076 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@](CF)(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001257890882 1063428469 /nfs/dbraw/zinc/42/84/69/1063428469.db2.gz BSAIVDNTKNZQIZ-IXXDHKBRSA-N 1 0 305.359 4.345 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cccc(Br)n3)C[C@H](C1)C2 ZINC001257888243 1063428516 /nfs/dbraw/zinc/42/85/16/1063428516.db2.gz DCALUDAEGKWEOZ-NNQSOWQGSA-N 1 0 321.262 4.069 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccc(-c4ncccn4)cc3)C[C@H](C1)C2 ZINC001257890646 1063428584 /nfs/dbraw/zinc/42/85/84/1063428584.db2.gz SOMHLAWJRDRMAX-UFRUDQCGSA-N 1 0 319.452 4.368 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](c3ncccc3F)C3CC3)C[C@H](C1)C2 ZINC001257889802 1063428659 /nfs/dbraw/zinc/42/86/59/1063428659.db2.gz JTURAWNXPJYVHH-RTDQLFBCSA-N 1 0 300.421 4.396 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](c3cccnc3F)C3CC3)C[C@H](C1)C2 ZINC001257889547 1063428966 /nfs/dbraw/zinc/42/89/66/1063428966.db2.gz FGFDMMGAKZXPBZ-RTDQLFBCSA-N 1 0 300.421 4.396 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](CC(=O)OC(C)(C)C)C3)C[C@H](C1)C2 ZINC001257895208 1063432217 /nfs/dbraw/zinc/43/22/17/1063432217.db2.gz LJYSWIWCVGKANX-XNHLSEOASA-N 1 0 319.489 4.175 20 30 DIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC001473143390 1063449656 /nfs/dbraw/zinc/44/96/56/1063449656.db2.gz DRSJDNXNEPGYNC-FQEVSTJZSA-N 1 0 307.412 4.447 20 30 DIEDRO CCS[C@@H]1CCCC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001473158508 1063462705 /nfs/dbraw/zinc/46/27/05/1063462705.db2.gz MFVUPYKPFJSCDU-QGZVFWFLSA-N 1 0 302.487 4.283 20 30 DIEDRO CCS[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001473158223 1063463233 /nfs/dbraw/zinc/46/32/33/1063463233.db2.gz HWUMCPGJIUZMJP-HNNXBMFYSA-N 1 0 308.878 4.319 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC001461384182 1063464532 /nfs/dbraw/zinc/46/45/32/1063464532.db2.gz AZXYFTDUWHIENN-GOSISDBHSA-N 1 0 311.812 4.325 20 30 DIEDRO C=CC[N@@H+](CCC(C)(C)CC(=O)OCC)CC1CCCCC1 ZINC001473163770 1063467555 /nfs/dbraw/zinc/46/75/55/1063467555.db2.gz PWTKOGNDDNRKMT-UHFFFAOYSA-N 1 0 309.494 4.424 20 30 DIEDRO C=CC[N@@H+](C[C@@H](O)[C@H](C)c1ccccc1)CC1CCCCC1 ZINC001473164596 1063469634 /nfs/dbraw/zinc/46/96/34/1063469634.db2.gz XXYAGKZOTONVPG-YLJYHZDGSA-N 1 0 301.474 4.219 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccnc(-c2cnn(C)c2)c1 ZINC001258040730 1063471819 /nfs/dbraw/zinc/47/18/19/1063471819.db2.gz HPHFBNNCJJIOAO-MRXNPFEDSA-N 1 0 314.477 4.321 20 30 DIEDRO CCCCCCC[C@@H](C)N[C@@H](CCSC)C(=O)OC(C)C ZINC001258041169 1063471973 /nfs/dbraw/zinc/47/19/73/1063471973.db2.gz OCTPSIDMSLSJBS-CVEARBPZSA-N 1 0 317.539 4.398 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1cc(Br)cnc1Cl ZINC001461394412 1063472969 /nfs/dbraw/zinc/47/29/69/1063472969.db2.gz XTJCPSJGPUHCJE-JTQLQIEISA-N 1 0 317.658 4.332 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001258040386 1063473229 /nfs/dbraw/zinc/47/32/29/1063473229.db2.gz AWCQDMAZAJZGEW-FUHWJXTLSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](CC(=O)OC)c1cccc(O)c1 ZINC001258041109 1063473287 /nfs/dbraw/zinc/47/32/87/1063473287.db2.gz MPDXTYKJHKROOW-MAUKXSAKSA-N 1 0 321.461 4.335 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)C1 ZINC001461403143 1063474057 /nfs/dbraw/zinc/47/40/57/1063474057.db2.gz VHAVINYHJPHFAY-ZACQAIPSSA-N 1 0 302.437 4.129 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1(c2cc(OC)ccn2)CC1 ZINC001258042969 1063474783 /nfs/dbraw/zinc/47/47/83/1063474783.db2.gz FYDDTCJXNONXAX-MRXNPFEDSA-N 1 0 304.478 4.460 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C(C)C)CC1 ZINC001258042983 1063474914 /nfs/dbraw/zinc/47/49/14/1063474914.db2.gz GFCCZQKBLMMKBB-KZNAEPCWSA-N 1 0 310.526 4.408 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](CCO)c1cccc(OC)c1 ZINC001258042220 1063474992 /nfs/dbraw/zinc/47/49/92/1063474992.db2.gz JQUWISWIFPZWSM-APWZRJJASA-N 1 0 307.478 4.457 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001258042588 1063475050 /nfs/dbraw/zinc/47/50/50/1063475050.db2.gz QTEILIQXQALRFT-SFHVURJKSA-N 1 0 318.505 4.362 20 30 DIEDRO CCCCCCC[C@@H](C)NC(=[NH2+])c1cccc(C(=O)OC)c1 ZINC001258041678 1063475411 /nfs/dbraw/zinc/47/54/11/1063475411.db2.gz YSHXBZODGFPBON-CQSZACIVSA-N 1 0 304.434 4.137 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC001258041625 1063475577 /nfs/dbraw/zinc/47/55/77/1063475577.db2.gz XUAKSXOYTKYNAR-INIZCTEOSA-N 1 0 300.450 4.106 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001258042080 1063475709 /nfs/dbraw/zinc/47/57/09/1063475709.db2.gz GKPJHAPGPALJQW-FUHWJXTLSA-N 1 0 318.505 4.064 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccnc(OCC2CC2)n1 ZINC001258043461 1063477105 /nfs/dbraw/zinc/47/71/05/1063477105.db2.gz PKORNSHZHNYOJO-OAHLLOKOSA-N 1 0 305.466 4.104 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(F)(C(=O)OCC)CC1 ZINC001258047090 1063478078 /nfs/dbraw/zinc/47/80/78/1063478078.db2.gz GWYDSOZRHBVNHR-HNNXBMFYSA-N 1 0 301.446 4.103 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001258043447 1063478332 /nfs/dbraw/zinc/47/83/32/1063478332.db2.gz CIKMWLRBDNAZBJ-AEFFLSMTSA-N 1 0 321.509 4.198 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001258045339 1063478958 /nfs/dbraw/zinc/47/89/58/1063478958.db2.gz ZJSKDYHORJBHGY-FUHWJXTLSA-N 1 0 321.509 4.105 20 30 DIEDRO C=CCOCc1nn([C@H](C)CCCCCCC)c2c1C[NH2+]C2 ZINC001258043725 1063479210 /nfs/dbraw/zinc/47/92/10/1063479210.db2.gz FVTRSTUIXFBVHT-OAHLLOKOSA-N 1 0 305.466 4.110 20 30 DIEDRO C=CCCOCC[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC001461409820 1063479255 /nfs/dbraw/zinc/47/92/55/1063479255.db2.gz CPHGPBCHQFMVAB-UHFFFAOYSA-N 1 0 305.418 4.237 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001258048242 1063480878 /nfs/dbraw/zinc/48/08/78/1063480878.db2.gz RVCYWYFITSURMV-ICSRJNTNSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001258048482 1063480914 /nfs/dbraw/zinc/48/09/14/1063480914.db2.gz VALWQDQBUZJQTM-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001258048945 1063480930 /nfs/dbraw/zinc/48/09/30/1063480930.db2.gz ZOYPCHBEKUFDKL-FHWLQOOXSA-N 1 0 322.537 4.314 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001258048247 1063481916 /nfs/dbraw/zinc/48/19/16/1063481916.db2.gz RWCKRVKEYSZVRO-HKUYNNGSSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCC[C@H](C)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001258049309 1063482232 /nfs/dbraw/zinc/48/22/32/1063482232.db2.gz DTGRMHGYKJTJJR-KRWDZBQOSA-N 1 0 303.494 4.389 20 30 DIEDRO CCCCCCC[C@H](C)n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC001258050508 1063483317 /nfs/dbraw/zinc/48/33/17/1063483317.db2.gz WIDGFEACDRZPJD-LBPRGKRZSA-N 1 0 317.399 4.469 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC001258052800 1063484304 /nfs/dbraw/zinc/48/43/04/1063484304.db2.gz SIMNZAQRYVLLKS-ZWKOTPCHSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CC(=O)N(CC)C2)CC1 ZINC001258051360 1063485167 /nfs/dbraw/zinc/48/51/67/1063485167.db2.gz GFPHWVGUOHWYRF-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]C[C@H]1CCNC(=O)C1 ZINC001258052231 1063485424 /nfs/dbraw/zinc/48/54/24/1063485424.db2.gz MXMKPPRCFFZBPD-ROUUACIJSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(Oc2ccncn2)CC1 ZINC001258051335 1063485452 /nfs/dbraw/zinc/48/54/52/1063485452.db2.gz FWSDZGQGKIFYQJ-INIZCTEOSA-N 1 0 305.466 4.069 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]C1CC(CO)(CO)C1 ZINC001258052129 1063485499 /nfs/dbraw/zinc/48/54/99/1063485499.db2.gz KWFZFEFCMPHZJZ-KRWDZBQOSA-N 1 0 313.526 4.019 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC001473178271 1063486113 /nfs/dbraw/zinc/48/61/13/1063486113.db2.gz AMBLNDXLPIURSR-UHFFFAOYSA-N 1 0 305.853 4.405 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC001461431729 1063498494 /nfs/dbraw/zinc/49/84/94/1063498494.db2.gz QOGLUTJJQHOQFT-BEFAXECRSA-N 1 0 322.456 4.017 20 30 DIEDRO C=C[C@H](COC)[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC001461453068 1063515088 /nfs/dbraw/zinc/51/50/88/1063515088.db2.gz IMKZVZZPGOYDMT-MRXNPFEDSA-N 1 0 308.425 4.105 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC[C@@H](C)c2ccccc2)cc1 ZINC001461461742 1063524253 /nfs/dbraw/zinc/52/42/53/1063524253.db2.gz KVMUMPKUOQEIIR-GOSISDBHSA-N 1 0 307.437 4.372 20 30 DIEDRO CCCCCCCCCCC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001461475004 1063529494 /nfs/dbraw/zinc/52/94/94/1063529494.db2.gz KLCFMVBPEWDFRB-IBGZPJMESA-N 1 0 308.510 4.118 20 30 DIEDRO C#CCCC[NH2+]Cc1ccccc1Oc1ccc(C)cc1OC ZINC001461489452 1063534144 /nfs/dbraw/zinc/53/41/44/1063534144.db2.gz STCBLGIWOLKYSK-UHFFFAOYSA-N 1 0 309.409 4.299 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C/C=C\c2ccc(F)cc2F)cc1 ZINC001461493976 1063535941 /nfs/dbraw/zinc/53/59/41/1063535941.db2.gz KPUMEUHBFCYVOV-ARJAWSKDSA-N 1 0 315.363 4.333 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CCCC1 ZINC001461500462 1063540364 /nfs/dbraw/zinc/54/03/64/1063540364.db2.gz MRRRBDQPUCYWGU-LJQANCHMSA-N 1 0 315.457 4.080 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CCCC1 ZINC001461501171 1063541722 /nfs/dbraw/zinc/54/17/22/1063541722.db2.gz OCJMKYOEYNEWAS-UHFFFAOYSA-N 1 0 307.441 4.370 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC001461512354 1063546174 /nfs/dbraw/zinc/54/61/74/1063546174.db2.gz HLWINNSMTSDYCY-UHFFFAOYSA-N 1 0 311.473 4.285 20 30 DIEDRO Cc1cc(C[NH2+]C2(C(C)(C)c3ccccc3)CC2)ccc1C#N ZINC001461509020 1063546212 /nfs/dbraw/zinc/54/62/12/1063546212.db2.gz WTRICUUOQWOHAR-UHFFFAOYSA-N 1 0 304.437 4.467 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC001461511854 1063546913 /nfs/dbraw/zinc/54/69/13/1063546913.db2.gz UPSBEQJRVSYQTF-UHFFFAOYSA-N 1 0 319.246 4.299 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(CC(C)C)cc2)cc1 ZINC001461520764 1063552747 /nfs/dbraw/zinc/55/27/47/1063552747.db2.gz KSWFVMHMTKYHSK-UHFFFAOYSA-N 1 0 307.437 4.187 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001258229657 1063569615 /nfs/dbraw/zinc/56/96/15/1063569615.db2.gz TXLXNMXARSBGJM-CVEARBPZSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001258229513 1063570035 /nfs/dbraw/zinc/57/00/35/1063570035.db2.gz QSKRMSLGBKYSLH-KRWDZBQOSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC001258231424 1063570732 /nfs/dbraw/zinc/57/07/32/1063570732.db2.gz NVDZSWXBJIEPFU-HKUYNNGSSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001258232160 1063570908 /nfs/dbraw/zinc/57/09/08/1063570908.db2.gz ZXKWJPHFSAVBIR-ZWKOTPCHSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001258230658 1063571318 /nfs/dbraw/zinc/57/13/18/1063571318.db2.gz ZZXNCHJPSYZGCP-SJLPKXTDSA-N 1 0 321.509 4.153 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001258232306 1063571480 /nfs/dbraw/zinc/57/14/80/1063571480.db2.gz JKYXLVLJRIOFNE-INIZCTEOSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001258231281 1063571921 /nfs/dbraw/zinc/57/19/21/1063571921.db2.gz MBOXPEDXSLMLTD-MOPGFXCFSA-N 1 0 324.553 4.359 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]CC(=O)NCc1ccco1 ZINC001258232097 1063572376 /nfs/dbraw/zinc/57/23/76/1063572376.db2.gz YNHWBEUPWKTOKS-INIZCTEOSA-N 1 0 308.466 4.015 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001461571523 1063587017 /nfs/dbraw/zinc/58/70/17/1063587017.db2.gz SGWPKZNCEVCWOX-UZLBHIALSA-N 1 0 307.437 4.287 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cc(C)cc(Br)c2)c1 ZINC001461576467 1063589608 /nfs/dbraw/zinc/58/96/08/1063589608.db2.gz CKHVMECBVVTXMM-UHFFFAOYSA-N 1 0 314.226 4.029 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](C)CC(F)(F)F ZINC001461580913 1063591838 /nfs/dbraw/zinc/59/18/38/1063591838.db2.gz JLGVELILALMURS-NSHDSACASA-N 1 0 319.754 4.030 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C1 ZINC001461596633 1063604401 /nfs/dbraw/zinc/60/44/01/1063604401.db2.gz VCCNUHFGXIIWPJ-OAGGEKHMSA-N 1 0 303.471 4.264 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@@H]3C[C@H]3c3ccccc3)CCC2)cc1 ZINC001461613548 1063613702 /nfs/dbraw/zinc/61/37/02/1063613702.db2.gz UWJYWGICTXLSGV-ICSRJNTNSA-N 1 0 302.421 4.331 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O ZINC001461622090 1063618567 /nfs/dbraw/zinc/61/85/67/1063618567.db2.gz SUWPKAZBMGMXTB-GJZGRUSLSA-N 1 0 317.473 4.291 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CCCC1 ZINC001461625839 1063620724 /nfs/dbraw/zinc/62/07/24/1063620724.db2.gz CFFIBTDALDRRTA-UHFFFAOYSA-N 1 0 301.356 4.045 20 30 DIEDRO C=CCOc1ccc(CNc2[nH+]c(C)ccc2CC)cc1OC ZINC001461630476 1063624459 /nfs/dbraw/zinc/62/44/59/1063624459.db2.gz IHWBHPZPNMNVBC-UHFFFAOYSA-N 1 0 312.413 4.138 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(COCCOC)cc1 ZINC001461635129 1063626895 /nfs/dbraw/zinc/62/68/95/1063626895.db2.gz WACFOAQKZYRIFZ-PMACEKPBSA-N 1 0 317.473 4.074 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(CC)(C2CC2)C2CC2)cc1OC ZINC001461631925 1063626982 /nfs/dbraw/zinc/62/69/82/1063626982.db2.gz WEEIAEDBBHLAIJ-UHFFFAOYSA-N 1 0 315.457 4.318 20 30 DIEDRO COc1ccc(CC[C@H](C)[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001258396667 1063638032 /nfs/dbraw/zinc/63/80/32/1063638032.db2.gz AYWAENOTOQLVHY-SFHVURJKSA-N 1 0 322.452 4.432 20 30 DIEDRO COc1ccc(CC[C@@H](C)[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001258396665 1063638291 /nfs/dbraw/zinc/63/82/91/1063638291.db2.gz AYWAENOTOQLVHY-GOSISDBHSA-N 1 0 322.452 4.432 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001461676498 1063652701 /nfs/dbraw/zinc/65/27/01/1063652701.db2.gz PLNWGUJTBAJKNC-IRXDYDNUSA-N 1 0 309.494 4.471 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](CC)CCCCC)C2 ZINC001258441969 1063657080 /nfs/dbraw/zinc/65/70/80/1063657080.db2.gz VDJMAERFVOWAFV-FHWLQOOXSA-N 1 0 309.494 4.171 20 30 DIEDRO CCC(CC)(C[NH2+]Cc1ccc(OC)c(C#N)c1)C(F)(F)F ZINC001461696908 1063661748 /nfs/dbraw/zinc/66/17/48/1063661748.db2.gz LFEOJNRGYPGGRQ-UHFFFAOYSA-N 1 0 314.351 4.025 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1C ZINC001461703642 1063667810 /nfs/dbraw/zinc/66/78/10/1063667810.db2.gz LWGCFCIBTTVVJT-TWKPZUECSA-N 1 0 316.448 4.254 20 30 DIEDRO C#CC1([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CCCC1 ZINC001461710426 1063671614 /nfs/dbraw/zinc/67/16/14/1063671614.db2.gz CPBRZISMVLUOTE-UHFFFAOYSA-N 1 0 314.429 4.069 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1Cl ZINC001461727742 1063681381 /nfs/dbraw/zinc/68/13/81/1063681381.db2.gz FOEBDZNNGHYMQE-CYBMUJFWSA-N 1 0 317.816 4.461 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC001461738853 1063688319 /nfs/dbraw/zinc/68/83/19/1063688319.db2.gz FYJSRAMAFGOVNW-UHFFFAOYSA-N 1 0 301.430 4.074 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2CCN(c3ccccc3Cl)CC2)cc1 ZINC001258538006 1063689397 /nfs/dbraw/zinc/68/93/97/1063689397.db2.gz IDKOWXAPGYXEAK-UHFFFAOYSA-N 1 0 324.855 4.080 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)cc1C#N ZINC001461751562 1063694904 /nfs/dbraw/zinc/69/49/04/1063694904.db2.gz OUBUVGKRXDGZRN-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO CC1(C)CC[C@H]([NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001258609507 1063708799 /nfs/dbraw/zinc/70/87/99/1063708799.db2.gz PHOIVHAJARUZJJ-HNNXBMFYSA-N 1 0 300.421 4.262 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cscc1Cl ZINC001461776817 1063709920 /nfs/dbraw/zinc/70/99/20/1063709920.db2.gz HTOGCEJYDNEOIN-UHFFFAOYSA-N 1 0 304.846 4.384 20 30 DIEDRO C#CCC1([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CCCCC1 ZINC001461786507 1063715657 /nfs/dbraw/zinc/71/56/57/1063715657.db2.gz MWGXREKNHHXALB-UHFFFAOYSA-N 1 0 321.468 4.305 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cc(F)ccc1N(C)C ZINC001461834771 1063743422 /nfs/dbraw/zinc/74/34/22/1063743422.db2.gz KZJSAEXVQKTFRD-UQHVZDHRSA-N 1 0 303.425 4.015 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+][C@H](CO)c1ccccn1 ZINC001258713555 1063770594 /nfs/dbraw/zinc/77/05/94/1063770594.db2.gz APLGQARSFMSNNT-IEBWSBKVSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]Cc1cncc(C(N)=O)c1 ZINC001258714046 1063770919 /nfs/dbraw/zinc/77/09/19/1063770919.db2.gz GSNAMGRHHXVXSU-SFHVURJKSA-N 1 0 319.493 4.045 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCN(CCF)CC1 ZINC001258713950 1063771197 /nfs/dbraw/zinc/77/11/97/1063771197.db2.gz DOJKRZVZVFJNBF-SFHVURJKSA-N 1 0 300.506 4.349 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCN(CCOC)CC1 ZINC001258714450 1063771272 /nfs/dbraw/zinc/77/12/72/1063771272.db2.gz OLSJMDOMSPFHAD-LJQANCHMSA-N 1 0 312.542 4.026 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1CCN(C(=O)CC)C1 ZINC001258715498 1063773503 /nfs/dbraw/zinc/77/35/03/1063773503.db2.gz GYKHKZQLMYUSDV-ROUUACIJSA-N 1 0 310.526 4.362 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001258717598 1063774690 /nfs/dbraw/zinc/77/46/90/1063774690.db2.gz RJVCGQRVPAHPGG-JYJNAYRXSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC001258717949 1063775242 /nfs/dbraw/zinc/77/52/42/1063775242.db2.gz AAJQXLQHAFHKAI-CYBMUJFWSA-N 1 0 302.443 4.263 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001258717569 1063775508 /nfs/dbraw/zinc/77/55/08/1063775508.db2.gz URRBDKBWXPFNHX-MAUKXSAKSA-N 1 0 310.482 4.110 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001461884200 1063775593 /nfs/dbraw/zinc/77/55/93/1063775593.db2.gz ROWCKNRUNHWFQZ-YADHBBJMSA-N 1 0 316.448 4.447 20 30 DIEDRO CNc1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001461884280 1063776603 /nfs/dbraw/zinc/77/66/03/1063776603.db2.gz SCIFNSQKVZCTKM-AZUAARDMSA-N 1 0 305.425 4.000 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cncn1Cc1ccc(Cl)cc1 ZINC001258722922 1063776553 /nfs/dbraw/zinc/77/65/53/1063776553.db2.gz PFNKLYOULHTPQW-CQSZACIVSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001258720938 1063776698 /nfs/dbraw/zinc/77/66/98/1063776698.db2.gz JPKXNTPJYISEPM-OAHLLOKOSA-N 1 0 303.446 4.129 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2)cn1 ZINC001258723604 1063776897 /nfs/dbraw/zinc/77/68/97/1063776897.db2.gz ZXTFOVLKCZBVNO-AWEZNQCLSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2C)CC1 ZINC001258723578 1063777028 /nfs/dbraw/zinc/77/70/28/1063777028.db2.gz ZGDDRWGUSTYBSY-INIZCTEOSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC001258721353 1063777262 /nfs/dbraw/zinc/77/72/62/1063777262.db2.gz SUWYUYKURGZNAU-BLLLJJGKSA-N 1 0 308.263 4.251 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC001258721355 1063777543 /nfs/dbraw/zinc/77/75/43/1063777543.db2.gz SUWYUYKURGZNAU-MLGOLLRUSA-N 1 0 308.263 4.251 20 30 DIEDRO C=CC[N@H+](CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(C)C ZINC001461888424 1063778077 /nfs/dbraw/zinc/77/80/77/1063778077.db2.gz MIXGFZYXTLCGNU-ALOPSCKCSA-N 1 0 322.493 4.061 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cn(Cc2cccc(Cl)c2)cn1 ZINC001258724345 1063778081 /nfs/dbraw/zinc/77/80/81/1063778081.db2.gz URGXLJQJCHMFPJ-CQSZACIVSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@H](C)N(c1ncnc2ccccc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723858 1063778915 /nfs/dbraw/zinc/77/89/15/1063778915.db2.gz HHKNHVLDWPOZSD-ULQDDVLXSA-N 1 0 324.472 4.061 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726930 1063779258 /nfs/dbraw/zinc/77/92/58/1063779258.db2.gz YWVZSRMZLAWVCM-VQIMIIECSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(c2nnc(-c3ccccc3)o2)CC1 ZINC001258730917 1063782325 /nfs/dbraw/zinc/78/23/25/1063782325.db2.gz QJCSBUUXKZQWDC-HNNXBMFYSA-N 1 0 311.429 4.271 20 30 DIEDRO C=CCC[C@@H](C)[N@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001258734127 1063783571 /nfs/dbraw/zinc/78/35/71/1063783571.db2.gz SMZXXHRBKAVEBS-KLAILNCOSA-N 1 0 324.509 4.451 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(N(C)Cc2ccc(F)cc2)CC1 ZINC001258733477 1063783812 /nfs/dbraw/zinc/78/38/12/1063783812.db2.gz GTLQZUXSGKOJRZ-INIZCTEOSA-N 1 0 304.453 4.077 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734190 1063784557 /nfs/dbraw/zinc/78/45/57/1063784557.db2.gz UVINRVLGFYPBKC-HZPDHXFCSA-N 1 0 310.482 4.061 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001258736467 1063784633 /nfs/dbraw/zinc/78/46/33/1063784633.db2.gz UIQVBZOKKXDZLO-CJNGLKHVSA-N 1 0 313.363 4.433 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(N(CC)C(=O)OC(C)(C)C)CC1 ZINC001258734785 1063784652 /nfs/dbraw/zinc/78/46/52/1063784652.db2.gz JEPGCLBQUWPNIZ-OAHLLOKOSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001258733887 1063785024 /nfs/dbraw/zinc/78/50/24/1063785024.db2.gz NOYIIYWAUZLPKK-CQSZACIVSA-N 1 0 315.848 4.374 20 30 DIEDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2Cc2cccc(C#N)n2)cc1 ZINC001461902565 1063786450 /nfs/dbraw/zinc/78/64/50/1063786450.db2.gz MCCINVOLGCJCCP-JXFKEZNVSA-N 1 0 305.425 4.235 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H](CCC)CCCC)CCC2 ZINC001258760790 1063805918 /nfs/dbraw/zinc/80/59/18/1063805918.db2.gz VFIAAEDIRMYAFR-KRWDZBQOSA-N 1 0 319.493 4.150 20 30 DIEDRO C[N@H+](CCCOc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC001461974745 1063853102 /nfs/dbraw/zinc/85/31/02/1063853102.db2.gz ANJXPJJAQUOULN-UHFFFAOYSA-N 1 0 322.452 4.389 20 30 DIEDRO C=CC[N@@H+](CCc1ccc(C)c(C)c1)Cc1cccc(C#N)c1 ZINC001461984753 1063858803 /nfs/dbraw/zinc/85/88/03/1063858803.db2.gz CAXXKOLELMVEFH-UHFFFAOYSA-N 1 0 304.437 4.406 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)cc1CC ZINC001461985304 1063859537 /nfs/dbraw/zinc/85/95/37/1063859537.db2.gz FUFZBBUBZCNCRA-UHFFFAOYSA-N 1 0 320.436 4.317 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001461988796 1063861367 /nfs/dbraw/zinc/86/13/67/1063861367.db2.gz XTLNVWQYOAZCFA-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO C#CCOc1cccc(Cl)c1CN(C)Cc1ccc(F)cc1 ZINC001462036640 1063893414 /nfs/dbraw/zinc/89/34/14/1063893414.db2.gz DBMHUTQWVBBSEW-UHFFFAOYSA-N 1 0 317.791 4.123 20 30 DIEDRO COc1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)ccc1F ZINC001261244752 1063914727 /nfs/dbraw/zinc/91/47/27/1063914727.db2.gz BVARBJVZMMEYPF-GOSISDBHSA-N 1 0 312.388 4.359 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC001462099235 1063930007 /nfs/dbraw/zinc/93/00/07/1063930007.db2.gz XILIIDXVTQBVPF-OAHLLOKOSA-N 1 0 320.443 4.375 20 30 DIEDRO C=CC1(CC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)CCCCC1 ZINC001263239695 1063976373 /nfs/dbraw/zinc/97/63/73/1063976373.db2.gz STYVGJGIWFFZPY-QGZVFWFLSA-N 1 0 318.505 4.023 20 30 DIEDRO CCCC[C@@H](CC)C[N@@H+]1CCC12CN(c1cccc(C#N)c1)C2 ZINC001279745441 1064367564 /nfs/dbraw/zinc/36/75/64/1064367564.db2.gz GPIPSGYAEBBJQM-QGZVFWFLSA-N 1 0 311.473 4.039 20 30 DIEDRO CCCCCCCC[NH2+]C12CC(C(=O)N3CCCC34CC4)(C1)C2 ZINC001279870503 1064369101 /nfs/dbraw/zinc/36/91/01/1064369101.db2.gz IBLHBGIPCKSRHT-UHFFFAOYSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N(CC)C(C)C)C1 ZINC001279834060 1064369872 /nfs/dbraw/zinc/36/98/72/1064369872.db2.gz DRMLZFVZXZNDIS-UYAOXDASSA-N 1 0 320.521 4.092 20 30 DIEDRO CCCCCCCCCCC[N@@H+]1CCc2cc(C(N)=O)[nH]c2C1 ZINC001280268625 1064388150 /nfs/dbraw/zinc/38/81/50/1064388150.db2.gz KFFJWROEBMHJSG-UHFFFAOYSA-N 1 0 319.493 4.003 20 30 DIEDRO C=CC(C)(C)CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001288210949 1064522591 /nfs/dbraw/zinc/52/25/91/1064522591.db2.gz AVOBSDODHYDKPR-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO CCCCCCCCCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001291562145 1064737396 /nfs/dbraw/zinc/73/73/96/1064737396.db2.gz YVOQSSPHXIOZFX-ROUUACIJSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001292338180 1064768902 /nfs/dbraw/zinc/76/89/02/1064768902.db2.gz PHQVKYCWUFWWBA-MOPGFXCFSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001292338182 1064769768 /nfs/dbraw/zinc/76/97/68/1064769768.db2.gz PHQVKYCWUFWWBA-RBUKOAKNSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)CCC[C@@H]1CC)C(C)C ZINC001292957942 1064795526 /nfs/dbraw/zinc/79/55/26/1064795526.db2.gz CLIBHEAXYXLPAY-NSHGMRRFSA-N 1 0 320.521 4.018 20 30 DIEDRO C=CCN(CC1CCCCC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001293383116 1064811676 /nfs/dbraw/zinc/81/16/76/1064811676.db2.gz NKEKXPUPYZNRLP-UHFFFAOYSA-N 1 0 320.521 4.236 20 30 DIEDRO N#Cc1cc(F)c(C(F)(F)F)cc1Nc1ccc2[nH+]ccn2c1 ZINC001307171667 1064860641 /nfs/dbraw/zinc/86/06/41/1064860641.db2.gz WDLTUMGAFAEPEA-UHFFFAOYSA-N 1 0 320.249 4.107 20 30 DIEDRO CCCCCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001295095271 1064901288 /nfs/dbraw/zinc/90/12/88/1064901288.db2.gz RSKLGDSSKSLPCP-HKUYNNGSSA-N 1 0 320.452 4.048 20 30 DIEDRO C=CCC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001297943662 1064993595 /nfs/dbraw/zinc/99/35/95/1064993595.db2.gz VGKGOCDWJOUIOL-KRWDZBQOSA-N 1 0 318.505 4.036 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001301838958 1065072350 /nfs/dbraw/zinc/07/23/50/1065072350.db2.gz DAFIKLZOFMVQIE-GOSISDBHSA-N 1 0 322.537 4.365 20 30 DIEDRO N#Cc1c(F)cccc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001306938948 1065213022 /nfs/dbraw/zinc/21/30/22/1065213022.db2.gz OWPFYATUHGLXQQ-UHFFFAOYSA-N 1 0 323.415 4.469 20 30 DIEDRO N#Cc1c(F)cccc1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001306958353 1065221413 /nfs/dbraw/zinc/22/14/13/1065221413.db2.gz LTSXRQRDNOZGSI-MRXNPFEDSA-N 1 0 315.436 4.154 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001307417991 1065378431 /nfs/dbraw/zinc/37/84/31/1065378431.db2.gz IMDHZGKFGLLWEH-HXUWFJFHSA-N 1 0 320.436 4.164 20 30 DIEDRO CCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCCCC1 ZINC001307427777 1065389472 /nfs/dbraw/zinc/38/94/72/1065389472.db2.gz VHFQGPFGCNDBNI-UHFFFAOYSA-N 1 0 315.417 4.259 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCc2ccccc2C1 ZINC001307429263 1065390143 /nfs/dbraw/zinc/39/01/43/1065390143.db2.gz PZWQFVHNSLCUCP-NRFANRHFSA-N 1 0 322.427 4.467 20 30 DIEDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001307434752 1065393788 /nfs/dbraw/zinc/39/37/88/1065393788.db2.gz YLTNMHSNTPHYMP-DOMZBBRYSA-N 1 0 308.372 4.170 20 30 DIEDRO CC(C)[N@H+](CCc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC001307439376 1065399539 /nfs/dbraw/zinc/39/95/39/1065399539.db2.gz XOKDEIGCZJAOCC-UHFFFAOYSA-N 1 0 314.379 4.290 20 30 DIEDRO CC(C)C[N@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC001307438916 1065399939 /nfs/dbraw/zinc/39/99/39/1065399939.db2.gz YEEXGZIHYDOPKA-UHFFFAOYSA-N 1 0 322.452 4.485 20 30 DIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC001307459324 1065412479 /nfs/dbraw/zinc/41/24/79/1065412479.db2.gz ODRQJARWLMBDMO-FQEVSTJZSA-N 1 0 307.412 4.132 20 30 DIEDRO CCCCCCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001307462089 1065415782 /nfs/dbraw/zinc/41/57/82/1065415782.db2.gz BTAWAEXPLYBQNE-UHFFFAOYSA-N 1 0 300.446 4.372 20 30 DIEDRO C=CC[N@@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)CC1CCCCC1 ZINC001307469897 1065419405 /nfs/dbraw/zinc/41/94/05/1065419405.db2.gz HIYKEYVAUHNSEP-HUUCEWRRSA-N 1 0 305.384 4.165 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307485941 1065429437 /nfs/dbraw/zinc/42/94/37/1065429437.db2.gz PZYJYRGBIPBMCH-QGZVFWFLSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC001307485454 1065430711 /nfs/dbraw/zinc/43/07/11/1065430711.db2.gz HQFPNLZRDHMGIU-UHFFFAOYSA-N 1 0 303.446 4.430 20 30 DIEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001307488573 1065431701 /nfs/dbraw/zinc/43/17/01/1065431701.db2.gz DDAAKGMWZZWEHY-UONOGXRCSA-N 1 0 311.347 4.057 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC001307486929 1065432838 /nfs/dbraw/zinc/43/28/38/1065432838.db2.gz ZVSISUYLOOXOEW-QGZVFWFLSA-N 1 0 302.462 4.309 20 30 DIEDRO Cc1ccc(C(C)(C)C[N@H+](C)CCOc2cccc(C#N)c2)cc1 ZINC001307497803 1065442367 /nfs/dbraw/zinc/44/23/67/1065442367.db2.gz RNVAHCAGHQIEIA-UHFFFAOYSA-N 1 0 322.452 4.155 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c1 ZINC001307534123 1065468948 /nfs/dbraw/zinc/46/89/48/1065468948.db2.gz DPMYSYHEZPVCBQ-NHCUHLMSSA-N 1 0 302.421 4.460 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1(CC)CC ZINC001307552186 1065478826 /nfs/dbraw/zinc/47/88/26/1065478826.db2.gz SVDWSAGXWFLFFJ-RBUKOAKNSA-N 1 0 317.448 4.093 20 30 DIEDRO CCC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC001307562872 1065484093 /nfs/dbraw/zinc/48/40/93/1065484093.db2.gz HTUGPGLIVLYJEO-CQSZACIVSA-N 1 0 306.837 4.254 20 30 DIEDRO C#CCOCC[NH2+]C(CC)(CC)c1ccc(Cl)c(Cl)c1 ZINC001307565538 1065486610 /nfs/dbraw/zinc/48/66/10/1065486610.db2.gz ASIORYHGOMHYCQ-UHFFFAOYSA-N 1 0 314.256 4.248 20 30 DIEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)CCC1 ZINC001307584134 1065498930 /nfs/dbraw/zinc/49/89/30/1065498930.db2.gz SYHKREVFTKDIAP-MOPGFXCFSA-N 1 0 318.505 4.256 20 30 DIEDRO CCCCCCCC[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC001307610275 1065513576 /nfs/dbraw/zinc/51/35/76/1065513576.db2.gz INNGISDHWYDZKT-UHFFFAOYSA-N 1 0 310.526 4.316 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(Cl)ccc1F ZINC001307611367 1065514523 /nfs/dbraw/zinc/51/45/23/1065514523.db2.gz OGGBKHIJORQBTM-GFCCVEGCSA-N 1 0 302.780 4.396 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(F)cc1C#N ZINC001307636377 1065532961 /nfs/dbraw/zinc/53/29/61/1065532961.db2.gz HUNIPCZKWUABIN-LJQANCHMSA-N 1 0 314.379 4.193 20 30 DIEDRO CC[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(C)c(F)c1 ZINC001307640226 1065535093 /nfs/dbraw/zinc/53/50/93/1065535093.db2.gz XJBCQHGWSVMRIE-IBGZPJMESA-N 1 0 312.388 4.126 20 30 DIEDRO CN(CCC1(C#N)CCCCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC001307700141 1065570014 /nfs/dbraw/zinc/57/00/14/1065570014.db2.gz KHFRTFWRZFJOSQ-UHFFFAOYSA-N 1 0 319.537 4.437 20 30 DIEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001307751179 1065604623 /nfs/dbraw/zinc/60/46/23/1065604623.db2.gz CJPINBYISIWBFB-KBPBESRZSA-N 1 0 309.375 4.471 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001307751180 1065605038 /nfs/dbraw/zinc/60/50/38/1065605038.db2.gz CJPINBYISIWBFB-ZIAGYGMSSA-N 1 0 309.375 4.471 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1Cl ZINC001307761639 1065608920 /nfs/dbraw/zinc/60/89/20/1065608920.db2.gz JDSSLDSRRPSEDF-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC001307781736 1065619189 /nfs/dbraw/zinc/61/91/89/1065619189.db2.gz NSQZDNOYXMFXMU-CVEARBPZSA-N 1 0 306.247 4.218 20 30 DIEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001307824871 1065639407 /nfs/dbraw/zinc/63/94/07/1065639407.db2.gz AUUOARTZPRQVBS-LRDDRELGSA-N 1 0 321.262 4.379 20 30 DIEDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001307840264 1065646787 /nfs/dbraw/zinc/64/67/87/1065646787.db2.gz QUEPZESUGNMLEW-QGZVFWFLSA-N 1 0 300.402 4.404 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC001307909383 1065678440 /nfs/dbraw/zinc/67/84/40/1065678440.db2.gz JFJRWSJQAZJLGH-OKZBNKHCSA-N 1 0 309.494 4.401 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC001307909384 1065678466 /nfs/dbraw/zinc/67/84/66/1065678466.db2.gz JFJRWSJQAZJLGH-SQNIBIBYSA-N 1 0 309.494 4.401 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(CC)ccc23)C1 ZINC001307915760 1065679752 /nfs/dbraw/zinc/67/97/52/1065679752.db2.gz WKPZKMRHZYEWIR-INIZCTEOSA-N 1 0 311.425 4.144 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC001307915908 1065680398 /nfs/dbraw/zinc/68/03/98/1065680398.db2.gz ZRPMUUDJENIVSG-INIZCTEOSA-N 1 0 309.457 4.089 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC001307914231 1065680907 /nfs/dbraw/zinc/68/09/07/1065680907.db2.gz DUUIWWUROABMNM-SFHVURJKSA-N 1 0 309.457 4.277 20 30 DIEDRO CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCSCC#N ZINC001307919445 1065681913 /nfs/dbraw/zinc/68/19/13/1065681913.db2.gz VMGSVSROIWXURS-GOSISDBHSA-N 1 0 302.487 4.121 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001307923182 1065685151 /nfs/dbraw/zinc/68/51/51/1065685151.db2.gz FOBJFNQLNKYBLY-WFASDCNBSA-N 1 0 308.809 4.473 20 30 DIEDRO CCC1(CC)CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001307928115 1065686566 /nfs/dbraw/zinc/68/65/66/1065686566.db2.gz JKFXHQHIKKYLEE-UHFFFAOYSA-N 1 0 300.446 4.229 20 30 DIEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@]1(C)Cc1cccc2ccccc21 ZINC001307951484 1065697452 /nfs/dbraw/zinc/69/74/52/1065697452.db2.gz JLNSJXFSAFARAB-LAUBAEHRSA-N 1 0 322.452 4.165 20 30 DIEDRO CC(C)C[N@H+](CCCSCC#N)Cc1cccc(Cl)c1 ZINC001307957712 1065699551 /nfs/dbraw/zinc/69/95/51/1065699551.db2.gz KESYMWJKZLVXDA-UHFFFAOYSA-N 1 0 310.894 4.445 20 30 DIEDRO Cc1cccc(C[C@]2(C)CCC[N@@H+]2CCCSCC#N)c1 ZINC001307972029 1065707984 /nfs/dbraw/zinc/70/79/84/1065707984.db2.gz IDVYPYHCQBGXBS-SFHVURJKSA-N 1 0 302.487 4.039 20 30 DIEDRO CCC#C[C@@H](C)[NH2+]C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC001307991756 1065715480 /nfs/dbraw/zinc/71/54/80/1065715480.db2.gz VNUAYZNEBZUKJJ-MRXNPFEDSA-N 1 0 323.436 4.185 20 30 DIEDRO CCOCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC001307998092 1065717645 /nfs/dbraw/zinc/71/76/45/1065717645.db2.gz YLSZFHFMFPMDKW-NRFANRHFSA-N 1 0 320.436 4.084 20 30 DIEDRO C=CCC1([NH2+]Cc2cnn(Cc3ccccc3)c2)CCCCC1 ZINC001308003544 1065721858 /nfs/dbraw/zinc/72/18/58/1065721858.db2.gz YAHPZEXVEGUGHA-UHFFFAOYSA-N 1 0 309.457 4.300 20 30 DIEDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001308085892 1065754918 /nfs/dbraw/zinc/75/49/18/1065754918.db2.gz XKPKGJGGLISYTR-CHWSQXEVSA-N 1 0 308.372 4.028 20 30 DIEDRO C=CCCCCC[N@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C ZINC001308092840 1065759194 /nfs/dbraw/zinc/75/91/94/1065759194.db2.gz NOYUDBQWSMJRAS-UHFFFAOYSA-N 1 0 312.498 4.310 20 30 DIEDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001308098603 1065761532 /nfs/dbraw/zinc/76/15/32/1065761532.db2.gz LHCYCDXGWZEMIQ-DYESRHJHSA-N 1 0 307.412 4.445 20 30 DIEDRO C#CCC1([NH2+]Cc2cnc(N(C)C)c3ccccc23)CCCCC1 ZINC001308106243 1065764251 /nfs/dbraw/zinc/76/42/51/1065764251.db2.gz YHFUEYNCRMXXSF-UHFFFAOYSA-N 1 0 321.468 4.117 20 30 DIEDRO CC[C@H](CC(F)F)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001308113055 1065768800 /nfs/dbraw/zinc/76/88/00/1065768800.db2.gz BEVINLZXNOFFLR-CQSZACIVSA-N 1 0 306.400 4.419 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1C ZINC001308119066 1065770636 /nfs/dbraw/zinc/77/06/36/1065770636.db2.gz PMXHGXVUKDLNQR-CYBMUJFWSA-N 1 0 314.816 4.380 20 30 DIEDRO C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC001308124623 1065773704 /nfs/dbraw/zinc/77/37/04/1065773704.db2.gz LAOSCFZKQAHBMW-MRXNPFEDSA-N 1 0 320.845 4.463 20 30 DIEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC001308124274 1065774066 /nfs/dbraw/zinc/77/40/66/1065774066.db2.gz JQGNXHTYMSKXCR-SFHVURJKSA-N 1 0 314.429 4.356 20 30 DIEDRO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc2ccccc2c1 ZINC001308137091 1065776218 /nfs/dbraw/zinc/77/62/18/1065776218.db2.gz OKAVWXZCYKRKIM-LJQANCHMSA-N 1 0 308.425 4.209 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc(Br)cs1 ZINC001308134406 1065776474 /nfs/dbraw/zinc/77/64/74/1065776474.db2.gz AFNOHNHIDQFXBW-LBPRGKRZSA-N 1 0 300.265 4.441 20 30 DIEDRO C=CC[NH+]1CCC(NCc2ccc(Cl)c(C)c2Cl)CC1 ZINC001308247211 1065852504 /nfs/dbraw/zinc/85/25/04/1065852504.db2.gz LZLKLYVAZVCTJU-UHFFFAOYSA-N 1 0 313.272 4.042 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C/C=C/c2cc(C)c(C)cc2C)CC1 ZINC001308246802 1065853018 /nfs/dbraw/zinc/85/30/18/1065853018.db2.gz GCNZJFHWAZZIBT-VOTSOKGWSA-N 1 0 312.501 4.255 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001308250187 1065855164 /nfs/dbraw/zinc/85/51/64/1065855164.db2.gz GUTIOWDAJPODMB-HOTGVXAUSA-N 1 0 322.493 4.110 20 30 DIEDRO COc1cc(C[NH2+]CCCc2ccc(C(C)C)cc2)ccc1C#N ZINC001308264433 1065863399 /nfs/dbraw/zinc/86/33/99/1065863399.db2.gz MLUJJMNLIHRRMU-UHFFFAOYSA-N 1 0 322.452 4.413 20 30 DIEDRO N#CCOc1cccc(C[NH2+]Cc2ccc(F)c3ccccc23)c1 ZINC001308267106 1065865246 /nfs/dbraw/zinc/86/52/46/1065865246.db2.gz ZNXJPSDLXZYALN-UHFFFAOYSA-N 1 0 320.367 4.171 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC001308267990 1065867101 /nfs/dbraw/zinc/86/71/01/1065867101.db2.gz ZZVNCRNTKVIRGJ-BPQIPLTHSA-N 1 0 302.437 4.129 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)c1ccncc1 ZINC001308273420 1065872379 /nfs/dbraw/zinc/87/23/79/1065872379.db2.gz XHGXLOLXJYTSMS-OAHLLOKOSA-N 1 0 322.239 4.378 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001308274829 1065875405 /nfs/dbraw/zinc/87/54/05/1065875405.db2.gz NRAPZAIXLFVOJU-QUCCMNQESA-N 1 0 304.437 4.209 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC001308276470 1065876810 /nfs/dbraw/zinc/87/68/10/1065876810.db2.gz NCGREGSRJAMKGG-BZNIZROVSA-N 1 0 320.845 4.139 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC001308328454 1065916156 /nfs/dbraw/zinc/91/61/56/1065916156.db2.gz GFXHUKKBFKZLOY-NSHDSACASA-N 1 0 306.203 4.373 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC001308296284 1065893274 /nfs/dbraw/zinc/89/32/74/1065893274.db2.gz XWWRYGGBTILYKA-QAPCUYQASA-N 1 0 317.860 4.410 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC001308332467 1065919836 /nfs/dbraw/zinc/91/98/36/1065919836.db2.gz TXPIVCVWCCLGTC-KFWWJZLASA-N 1 0 322.855 4.392 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CCc4ccccc4C3)cc2)CC1 ZINC001308348848 1065930882 /nfs/dbraw/zinc/93/08/82/1065930882.db2.gz CSKSJKPNVGAYPD-GOSISDBHSA-N 1 0 316.448 4.136 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC001308351006 1065932959 /nfs/dbraw/zinc/93/29/59/1065932959.db2.gz VEBGTVUXKRCHLB-UHFFFAOYSA-N 1 0 322.427 4.427 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001308374573 1065948426 /nfs/dbraw/zinc/94/84/26/1065948426.db2.gz OCNYDCNLTIGLNO-IXDOHACOSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCCCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC001308378885 1065952778 /nfs/dbraw/zinc/95/27/78/1065952778.db2.gz ANFNBGNYLCCGNN-UHFFFAOYSA-N 1 0 303.837 4.031 20 30 DIEDRO N#Cc1cc(C[NH2+]CCn2ccc3cc(Cl)ccc32)cs1 ZINC001308400635 1065963552 /nfs/dbraw/zinc/96/35/52/1065963552.db2.gz IKPOXFWXGKAYJL-UHFFFAOYSA-N 1 0 315.829 4.018 20 30 DIEDRO C=CCC1(C[NH2+]Cc2snc(OC)c2Cl)CCCC1 ZINC001308403082 1065965319 /nfs/dbraw/zinc/96/53/19/1065965319.db2.gz KIXUDJUQFXGZAO-UHFFFAOYSA-N 1 0 300.855 4.031 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)cc1 ZINC001308410598 1065970092 /nfs/dbraw/zinc/97/00/92/1065970092.db2.gz SMWURTIDHISCQI-UHFFFAOYSA-N 1 0 303.361 4.343 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC001308414966 1065972617 /nfs/dbraw/zinc/97/26/17/1065972617.db2.gz BQGOZHRNXNQIDQ-IRLDBZIGSA-N 1 0 319.448 4.372 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)cc1 ZINC001308415628 1065973534 /nfs/dbraw/zinc/97/35/34/1065973534.db2.gz CNLYISFACLEKGX-QFIPXVFZSA-N 1 0 319.448 4.372 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)cc1 ZINC001308419693 1065977413 /nfs/dbraw/zinc/97/74/13/1065977413.db2.gz CJAAPCXUZWFCRH-INIZCTEOSA-N 1 0 307.384 4.004 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)c1 ZINC001308436882 1065987431 /nfs/dbraw/zinc/98/74/31/1065987431.db2.gz WXVLTKYYTSXMCE-UHFFFAOYSA-N 1 0 316.379 4.159 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)[C@H]2CC2(C)C)cc1OC ZINC001308440918 1065989675 /nfs/dbraw/zinc/98/96/75/1065989675.db2.gz HMODXTFMZGWKGB-HZPDHXFCSA-N 1 0 303.446 4.174 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(C(C)(C)C)c2)CCOCC1 ZINC001308457723 1066001575 /nfs/dbraw/zinc/00/15/75/1066001575.db2.gz JHKFHQSEEKIBJU-UHFFFAOYSA-N 1 0 317.473 4.208 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC001308463830 1066005333 /nfs/dbraw/zinc/00/53/33/1066005333.db2.gz NJGNGBGNIGZSEY-AEFFLSMTSA-N 1 0 315.457 4.461 20 30 DIEDRO CC1(C)CCc2cc(C[NH2+]CC3(C#N)CCCCC3)ccc2O1 ZINC001308467017 1066008029 /nfs/dbraw/zinc/00/80/29/1066008029.db2.gz SXWWQBYKXFRKDX-UHFFFAOYSA-N 1 0 312.457 4.354 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CC[C@H]2CCCC2(C)C)cc1 ZINC001308472533 1066012735 /nfs/dbraw/zinc/01/27/35/1066012735.db2.gz QBSDWHGZKVZJSU-GOSISDBHSA-N 1 0 313.489 4.342 20 30 DIEDRO CCC1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC001308483262 1066020084 /nfs/dbraw/zinc/02/00/84/1066020084.db2.gz MSWLWDYRRJVWCS-UHFFFAOYSA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC001308485671 1066021472 /nfs/dbraw/zinc/02/14/72/1066021472.db2.gz DWIBIPYPMNFRCS-UHFFFAOYSA-N 1 0 315.436 4.153 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@]23C[C@@H]2CCCC3)cc1OC ZINC001308489169 1066023231 /nfs/dbraw/zinc/02/32/31/1066023231.db2.gz NNQVCDQXFAXDRZ-KSSFIOAISA-N 1 0 321.848 4.336 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC[C@@H]2CCCC2(F)F)cc1 ZINC001308500707 1066031334 /nfs/dbraw/zinc/03/13/34/1066031334.db2.gz FLBYVJKXMPWWRS-INIZCTEOSA-N 1 0 307.384 4.004 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001308502053 1066031876 /nfs/dbraw/zinc/03/18/76/1066031876.db2.gz VGXKLIQDWDDEJT-NRFANRHFSA-N 1 0 309.453 4.387 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001308502054 1066032220 /nfs/dbraw/zinc/03/22/20/1066032220.db2.gz VGXKLIQDWDDEJT-OAQYLSRUSA-N 1 0 309.453 4.387 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cc3ccccc3o2)cc1C#N ZINC001308520370 1066042776 /nfs/dbraw/zinc/04/27/76/1066042776.db2.gz ZJZIKYWSJRNHRB-UHFFFAOYSA-N 1 0 308.406 4.316 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1OC ZINC001308523213 1066045060 /nfs/dbraw/zinc/04/50/60/1066045060.db2.gz OMBBKKXPSQLIIS-TZMCWYRMSA-N 1 0 309.837 4.192 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)c1 ZINC001308555005 1066066305 /nfs/dbraw/zinc/06/63/05/1066066305.db2.gz SROIAQYIAXDKOS-UYAOXDASSA-N 1 0 312.457 4.285 20 30 DIEDRO C[N@H+](CC#Cc1ccccc1)Cc1ccc(N2CCCCC2)cc1 ZINC001308557642 1066067620 /nfs/dbraw/zinc/06/76/20/1066067620.db2.gz CDHJIURMORSJEZ-UHFFFAOYSA-N 1 0 318.464 4.160 20 30 DIEDRO CCC[N@H+](Cc1cccc(F)c1C#N)[C@@H]1C[C@H](OCC)C1(C)C ZINC001308568879 1066078010 /nfs/dbraw/zinc/07/80/10/1066078010.db2.gz FSNXOMWXNQTASU-MSOLQXFVSA-N 1 0 318.436 4.113 20 30 DIEDRO C[C@H]1SCC[N@H+](CC#Cc2ccccc2)[C@H]1c1ccccc1 ZINC001308574810 1066092218 /nfs/dbraw/zinc/09/22/18/1066092218.db2.gz VPRVNSCWGFPXJU-YLJYHZDGSA-N 1 0 307.462 4.217 20 30 DIEDRO C=CC[N@H+](Cc1cc2ccncc2s1)Cc1ccc(OC)cc1 ZINC001308578693 1066092514 /nfs/dbraw/zinc/09/25/14/1066092514.db2.gz RYQDIHGBLRYWNW-UHFFFAOYSA-N 1 0 324.449 4.493 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)n1 ZINC001308595958 1066106934 /nfs/dbraw/zinc/10/69/34/1066106934.db2.gz WUOYWENXBPAYGG-OAQYLSRUSA-N 1 0 313.404 4.444 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(-c2ccccc2)cc1OC)CC1CC1 ZINC001308603638 1066111997 /nfs/dbraw/zinc/11/19/97/1066111997.db2.gz LKXVGLRKPXZKLH-UHFFFAOYSA-N 1 0 305.421 4.207 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)c(F)c1 ZINC001308613605 1066118886 /nfs/dbraw/zinc/11/88/86/1066118886.db2.gz GPVPNEWKSKZCBN-UHFFFAOYSA-N 1 0 304.315 4.267 20 30 DIEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001308615094 1066119306 /nfs/dbraw/zinc/11/93/06/1066119306.db2.gz DPNMZFHWSRUWQC-HXUWFJFHSA-N 1 0 305.421 4.274 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+](C)C[C@@H](C)CC)cc1OC ZINC001308629661 1066126003 /nfs/dbraw/zinc/12/60/03/1066126003.db2.gz WLBQMNDPXPXLPS-ZDUSSCGKSA-N 1 0 311.853 4.391 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001308632440 1066127892 /nfs/dbraw/zinc/12/78/92/1066127892.db2.gz NMGSUCLEQVGGPQ-UHFFFAOYSA-N 1 0 324.424 4.442 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(N(C)C)cc1C ZINC001308631019 1066127945 /nfs/dbraw/zinc/12/79/45/1066127945.db2.gz IWNVLGVSSDNKAK-UHFFFAOYSA-N 1 0 319.452 4.121 20 30 DIEDRO CCc1ccc(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001308656463 1066140647 /nfs/dbraw/zinc/14/06/47/1066140647.db2.gz NTDXSWJVGAXEAO-UHFFFAOYSA-N 1 0 304.437 4.436 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC001308690775 1066183051 /nfs/dbraw/zinc/18/30/51/1066183051.db2.gz CXWIJYRXLIKCEK-UHFFFAOYSA-N 1 0 313.397 4.131 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001308703110 1066189001 /nfs/dbraw/zinc/18/90/01/1066189001.db2.gz GQXBHOHENYLGHG-KXBFYZLASA-N 1 0 315.436 4.373 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001308723818 1066201000 /nfs/dbraw/zinc/20/10/00/1066201000.db2.gz HYWNAAYIBQRFBO-DOMZBBRYSA-N 1 0 308.347 4.023 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@@H]2C[C@]2(C)Br)CCCC1(C)C ZINC001308724048 1066201095 /nfs/dbraw/zinc/20/10/95/1066201095.db2.gz KVBMDFZTODXCJI-YDHLFZDLSA-N 1 0 300.284 4.227 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2cnc(C(C)(C)C)nc2)CCCC1(C)C ZINC001308724042 1066201288 /nfs/dbraw/zinc/20/12/88/1066201288.db2.gz KSLSMIQAEJLBNB-INIZCTEOSA-N 1 0 301.478 4.341 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 ZINC001308738194 1066213991 /nfs/dbraw/zinc/21/39/91/1066213991.db2.gz QDWGMDSEMFEVFN-BUXKBTBVSA-N 1 0 312.363 4.217 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](O)c1cc(Cl)ccc1OC ZINC001308764831 1066239004 /nfs/dbraw/zinc/23/90/04/1066239004.db2.gz DKSSBUTXRLHNTR-GOEBONIOSA-N 1 0 311.853 4.107 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)Cc1ccc(-c2ccccc2)cc1 ZINC001308770349 1066243181 /nfs/dbraw/zinc/24/31/81/1066243181.db2.gz POPPYYHWQIXBRW-HBGVWJBISA-N 1 0 307.437 4.218 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)cc1 ZINC001308773419 1066245885 /nfs/dbraw/zinc/24/58/85/1066245885.db2.gz JQVIKORDJASLQQ-ZDUSSCGKSA-N 1 0 301.792 4.181 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001308775343 1066248489 /nfs/dbraw/zinc/24/84/89/1066248489.db2.gz AUFOQVKVEUPPFY-LJQANCHMSA-N 1 0 319.452 4.004 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCCc3c(F)cccc32)C1 ZINC001308793325 1066269240 /nfs/dbraw/zinc/26/92/40/1066269240.db2.gz YCFQYVSDKJHMNJ-ZWVUXNTGSA-N 1 0 320.411 4.417 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC001308795937 1066271284 /nfs/dbraw/zinc/27/12/84/1066271284.db2.gz YJBXSZPIKYVUAB-IBGZPJMESA-N 1 0 308.425 4.458 20 30 DIEDRO CC[C@@H](C[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC001308794778 1066271438 /nfs/dbraw/zinc/27/14/38/1066271438.db2.gz MQNPDUGEDATQJN-FQEVSTJZSA-N 1 0 322.452 4.200 20 30 DIEDRO CC(C)Cc1ccc([C@@H](C[NH2+]C[C@@H](C)CCC#N)N(C)C)cc1 ZINC001308800185 1066274820 /nfs/dbraw/zinc/27/48/20/1066274820.db2.gz GJVYYZNOPGZKMR-FXAWDEMLSA-N 1 0 315.505 4.017 20 30 DIEDRO CC(C)Cc1ccc([C@H](C[NH2+]C[C@@H](C)CCC#N)N(C)C)cc1 ZINC001308800186 1066275647 /nfs/dbraw/zinc/27/56/47/1066275647.db2.gz GJVYYZNOPGZKMR-PXNSSMCTSA-N 1 0 315.505 4.017 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](C)CCc2cncc3ccccc32)c1 ZINC001308819837 1066293899 /nfs/dbraw/zinc/29/38/99/1066293899.db2.gz IQYGWDIBXQSSFP-QGZVFWFLSA-N 1 0 314.432 4.327 20 30 DIEDRO CCc1ccc(C[N@@H+](Cc2cccc(C#N)n2)CC(C)C)cc1 ZINC001308835667 1066311545 /nfs/dbraw/zinc/31/15/45/1066311545.db2.gz ZEQFGEIASOSQMW-UHFFFAOYSA-N 1 0 307.441 4.174 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC001308856183 1066335917 /nfs/dbraw/zinc/33/59/17/1066335917.db2.gz VCKFMERRGXMMSX-AWEZNQCLSA-N 1 0 302.443 4.500 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC001308860590 1066341486 /nfs/dbraw/zinc/34/14/86/1066341486.db2.gz RSCIPIJOEORNKY-NRFANRHFSA-N 1 0 320.411 4.466 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001308871329 1066350966 /nfs/dbraw/zinc/35/09/66/1066350966.db2.gz BOZUUSBQLUQLGO-UHFFFAOYSA-N 1 0 300.471 4.392 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001308872152 1066351717 /nfs/dbraw/zinc/35/17/17/1066351717.db2.gz PCVMGLZLIHFXCR-KOHRHEQBSA-N 1 0 322.493 4.110 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)ccc1C#N ZINC001308876045 1066354961 /nfs/dbraw/zinc/35/49/61/1066354961.db2.gz ZTGNLCCZSBQHGP-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308881434 1066361189 /nfs/dbraw/zinc/36/11/89/1066361189.db2.gz WQFRIQSJLWYRLZ-NSHDSACASA-N 1 0 314.307 4.012 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001308891062 1066372215 /nfs/dbraw/zinc/37/22/15/1066372215.db2.gz HSHIGPBTJOVKSY-XJKSGUPXSA-N 1 0 314.395 4.252 20 30 DIEDRO FC(F)n1cc(C[NH2+]CC#Cc2ccccc2)c2ccccc21 ZINC001308894714 1066374984 /nfs/dbraw/zinc/37/49/84/1066374984.db2.gz JSLNVEBWLMXTMF-UHFFFAOYSA-N 1 0 310.347 4.178 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001308919170 1066396362 /nfs/dbraw/zinc/39/63/62/1066396362.db2.gz PKHQFNZQVKXLPJ-BBRMVZONSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001308932544 1066407255 /nfs/dbraw/zinc/40/72/55/1066407255.db2.gz YCSIWFJDGXOEAH-CVEARBPZSA-N 1 0 310.482 4.110 20 30 DIEDRO C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1cccc(C#N)c1 ZINC001308938820 1066408944 /nfs/dbraw/zinc/40/89/44/1066408944.db2.gz QULQFWMDIBCSPS-XKQJLSEDSA-N 1 0 300.446 4.191 20 30 DIEDRO CN(Cc1cc(C#N)cs1)Cc1cscc1C(F)(F)F ZINC001308957477 1066418478 /nfs/dbraw/zinc/41/84/78/1066418478.db2.gz CFVXFHJSLGFVBZ-UHFFFAOYSA-N 1 0 316.373 4.332 20 30 DIEDRO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001308958274 1066420510 /nfs/dbraw/zinc/42/05/10/1066420510.db2.gz FZOGGDNWSBETTH-YVWKXTFCSA-N 1 0 312.457 4.148 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001308981015 1066431746 /nfs/dbraw/zinc/43/17/46/1066431746.db2.gz FEHBDOQZGQOYRX-IRXDYDNUSA-N 1 0 324.509 4.358 20 30 DIEDRO N#CC1(c2ccc(CN3CCc4cc(F)cc(F)c4C3)cc2)CC1 ZINC001308987515 1066433223 /nfs/dbraw/zinc/43/32/23/1066433223.db2.gz PHWBKVFFMXDKKE-UHFFFAOYSA-N 1 0 324.374 4.078 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000088764442 185264326 /nfs/dbraw/zinc/26/43/26/185264326.db2.gz MZTUJTWDIZOOLT-INIZCTEOSA-N 1 0 305.425 4.009 20 30 DIEDRO Cc1ccc(C2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cn1 ZINC000442893140 338438926 /nfs/dbraw/zinc/43/89/26/338438926.db2.gz ADWUGQHKHWGJSO-INIZCTEOSA-N 1 0 305.425 4.202 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000280734903 334970067 /nfs/dbraw/zinc/97/00/67/334970067.db2.gz HHTIPDDUYNZPIQ-QEJZJMRPSA-N 1 0 308.491 4.207 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000281002929 334975307 /nfs/dbraw/zinc/97/53/07/334975307.db2.gz XUBZCGBKZQNIDV-HXUWFJFHSA-N 1 0 308.425 4.277 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281331429 334980090 /nfs/dbraw/zinc/98/00/90/334980090.db2.gz UAPDASAEGGDYBA-LJQANCHMSA-N 1 0 312.388 4.026 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000284600097 335014042 /nfs/dbraw/zinc/01/40/42/335014042.db2.gz KTYUSNPQTZAKTE-RYRKJORJSA-N 1 0 305.466 4.019 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1sccc1Br ZINC000578716973 332391174 /nfs/dbraw/zinc/39/11/74/332391174.db2.gz AHVKGLFBYMCWLN-DCAQKATOSA-N 1 0 313.264 4.244 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000303766364 335020840 /nfs/dbraw/zinc/02/08/40/335020840.db2.gz PTYSTRURVCBSQK-HKUYNNGSSA-N 1 0 320.436 4.124 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1ccco1 ZINC000285687673 335024558 /nfs/dbraw/zinc/02/45/58/335024558.db2.gz OFAGSLSQLUAKGF-MRXNPFEDSA-N 1 0 300.402 4.259 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCOCC2)cc1 ZINC000183349306 335025593 /nfs/dbraw/zinc/02/55/93/335025593.db2.gz NEQZUQHDKSVVMP-GDBMZVCRSA-N 1 0 309.837 4.038 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCCOCC2)cc1 ZINC000183349343 335025368 /nfs/dbraw/zinc/02/53/68/335025368.db2.gz NEQZUQHDKSVVMP-ZBFHGGJFSA-N 1 0 309.837 4.038 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc([S@](C)=O)cc1)c1ccco1 ZINC000285938805 335028174 /nfs/dbraw/zinc/02/81/74/335028174.db2.gz DHNPIPWJAHDUQN-UVQUFPMPSA-N 1 0 317.454 4.375 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192853241 335040083 /nfs/dbraw/zinc/04/00/83/335040083.db2.gz RCEZLLALRSKUNP-LJQANCHMSA-N 1 0 308.425 4.288 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000426037607 335042939 /nfs/dbraw/zinc/04/29/39/335042939.db2.gz VLVWCUFQBROLDB-MNOVXSKESA-N 1 0 302.315 4.469 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+]Cc3cccc(C#N)c3)c(C)c2c1 ZINC000106472442 194218527 /nfs/dbraw/zinc/21/85/27/194218527.db2.gz XNEYVRXIOAMWLJ-AWEZNQCLSA-N 1 0 320.392 4.472 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442713979 335044657 /nfs/dbraw/zinc/04/46/57/335044657.db2.gz JMWLZQRGAAHANS-XNRPHZJLSA-N 1 0 321.262 4.052 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273557074 130137516 /nfs/dbraw/zinc/13/75/16/130137516.db2.gz WALARZKMSNELTK-UXHICEINSA-N 1 0 324.399 4.049 20 30 DIEDRO COc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000284431129 131080019 /nfs/dbraw/zinc/08/00/19/131080019.db2.gz RKTRZAPUIHCTEM-RYUDHWBXSA-N 1 0 315.804 4.027 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000285924858 131210057 /nfs/dbraw/zinc/21/00/57/131210057.db2.gz DXIFZVWFKGHYHS-HUUCEWRRSA-N 1 0 324.424 4.296 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291155575 335078797 /nfs/dbraw/zinc/07/87/97/335078797.db2.gz HSPZTCBDPMSFLU-WBVHZDCISA-N 1 0 315.461 4.002 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291155573 335078940 /nfs/dbraw/zinc/07/89/40/335078940.db2.gz HSPZTCBDPMSFLU-NVXWUHKLSA-N 1 0 315.461 4.002 20 30 DIEDRO CC[NH+](CC)CCC[C@@H](C)Nc1cccc(C(F)F)c1C#N ZINC000583332258 331482359 /nfs/dbraw/zinc/48/23/59/331482359.db2.gz AOTRMQIKLPGVLJ-CYBMUJFWSA-N 1 0 309.404 4.418 20 30 DIEDRO Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000447529640 331513819 /nfs/dbraw/zinc/51/38/19/331513819.db2.gz MIUOIRFYZFRDHL-ZFWWWQNUSA-N 1 0 321.262 4.238 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000537950023 331564602 /nfs/dbraw/zinc/56/46/02/331564602.db2.gz GHKINCNANNXMDS-KCXAZCMYSA-N 1 0 313.363 4.480 20 30 DIEDRO CC1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000530729551 331621807 /nfs/dbraw/zinc/62/18/07/331621807.db2.gz OJFLOBYGGGORQL-UHFFFAOYSA-N 1 0 306.409 4.027 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCSCc3ccccc3)CC2)c1 ZINC000556510183 331711261 /nfs/dbraw/zinc/71/12/61/331711261.db2.gz JTLFGTXZYGBURK-UHFFFAOYSA-N 1 0 308.450 4.070 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000556514587 331712006 /nfs/dbraw/zinc/71/20/06/331712006.db2.gz GANUQQXPAOSLQH-XHDPSFHLSA-N 1 0 309.251 4.240 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+]CCC3=CCCCC3)CC2)cc1 ZINC000556858113 331742321 /nfs/dbraw/zinc/74/23/21/331742321.db2.gz MYYLTAHHUYJCET-UHFFFAOYSA-N 1 0 309.457 4.007 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000558467466 331910190 /nfs/dbraw/zinc/91/01/90/331910190.db2.gz WNGMJCNLHKBWAP-MORSLUCNSA-N 1 0 308.416 4.044 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c(C)c1 ZINC000558507884 331914972 /nfs/dbraw/zinc/91/49/72/331914972.db2.gz RFTAVFBSIPDNMI-NRFANRHFSA-N 1 0 320.436 4.433 20 30 DIEDRO Cc1oc2ccccc2c1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000558510030 331915113 /nfs/dbraw/zinc/91/51/13/331915113.db2.gz WNTNKEAZXAPINK-IBGZPJMESA-N 1 0 302.377 4.390 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000558575592 331925086 /nfs/dbraw/zinc/92/50/86/331925086.db2.gz PWPUEHAOXGLCRF-OAQYLSRUSA-N 1 0 306.453 4.370 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000080533594 331977489 /nfs/dbraw/zinc/97/74/89/331977489.db2.gz HAINLVQFJCFYCQ-RTBURBONSA-N 1 0 314.473 4.382 20 30 DIEDRO CC1CC[NH+](CCCCNc2cccc(Cl)c2C#N)CC1 ZINC000559142755 331981579 /nfs/dbraw/zinc/98/15/79/331981579.db2.gz MJLRPRJVIUDCJP-UHFFFAOYSA-N 1 0 305.853 4.136 20 30 DIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000559149178 331982294 /nfs/dbraw/zinc/98/22/94/331982294.db2.gz GEQKBNHEFXAYAQ-IGQOVBAYSA-N 1 0 310.363 4.479 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518246494 332000395 /nfs/dbraw/zinc/00/03/95/332000395.db2.gz KSVDYFHPAHDVCS-AVYPCKFXSA-N 1 0 306.409 4.053 20 30 DIEDRO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000127317785 332001065 /nfs/dbraw/zinc/00/10/65/332001065.db2.gz ZRQDKFIFQJTPQE-MRXNPFEDSA-N 1 0 308.425 4.444 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000518287182 332007325 /nfs/dbraw/zinc/00/73/25/332007325.db2.gz RXVBMOWICGLOOJ-UHFFFAOYSA-N 1 0 320.480 4.484 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000127938082 332009288 /nfs/dbraw/zinc/00/92/88/332009288.db2.gz YLWPEOGXZOSEFG-AWEZNQCLSA-N 1 0 302.830 4.440 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000449348512 332059027 /nfs/dbraw/zinc/05/90/27/332059027.db2.gz GYQYISPGRGTPAO-INIZCTEOSA-N 1 0 304.365 4.065 20 30 DIEDRO C=CCC[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccco1 ZINC000569367219 332064872 /nfs/dbraw/zinc/06/48/72/332064872.db2.gz NMQRWDZSTVEIJS-SFHVURJKSA-N 1 0 314.429 4.339 20 30 DIEDRO C=CC[C@H](CC)NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000410125096 332090277 /nfs/dbraw/zinc/09/02/77/332090277.db2.gz YNOAWHGTOUXSAL-SFHVURJKSA-N 1 0 302.462 4.001 20 30 DIEDRO C=CC[C@@H](CC)NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000410125095 332090398 /nfs/dbraw/zinc/09/03/98/332090398.db2.gz YNOAWHGTOUXSAL-GOSISDBHSA-N 1 0 302.462 4.001 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090665021 332091984 /nfs/dbraw/zinc/09/19/84/332091984.db2.gz CQBXLJQYCVIKGU-KSSFIOAISA-N 1 0 309.369 4.290 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1OC ZINC000090664616 332092017 /nfs/dbraw/zinc/09/20/17/332092017.db2.gz WPMWBVNJTJAMAK-YJBOKZPZSA-N 1 0 324.424 4.399 20 30 DIEDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000091080678 332099476 /nfs/dbraw/zinc/09/94/76/332099476.db2.gz HGQVPUINZZEUIH-SFHVURJKSA-N 1 0 322.456 4.165 20 30 DIEDRO CC(C)CC[N@H+](CCCC1(C#N)CCOCC1)C1CCCC1 ZINC000410338217 332113806 /nfs/dbraw/zinc/11/38/06/332113806.db2.gz SCPZMHUSYCGSKW-UHFFFAOYSA-N 1 0 306.494 4.378 20 30 DIEDRO N#Cc1ccc(C[N@H+](CCCCC2CCOCC2)C2CC2)cc1 ZINC000410335614 332113858 /nfs/dbraw/zinc/11/38/58/332113858.db2.gz UHEUHELBPCDQFQ-UHFFFAOYSA-N 1 0 312.457 4.120 20 30 DIEDRO C=CCCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000410375108 332119432 /nfs/dbraw/zinc/11/94/32/332119432.db2.gz WLFQCKUDRRCCGI-MRXNPFEDSA-N 1 0 300.446 4.008 20 30 DIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000236806731 332202751 /nfs/dbraw/zinc/20/27/51/332202751.db2.gz DXCAFLJWVPGNEY-UHFFFAOYSA-N 1 0 316.445 4.061 20 30 DIEDRO CC[C@H](C[NH2+]CC(C)(C)CCC#N)Oc1cccc(Cl)c1 ZINC000531009547 332208040 /nfs/dbraw/zinc/20/80/40/332208040.db2.gz JYQQHPLRWNUGJO-OAHLLOKOSA-N 1 0 308.853 4.417 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000449483998 332282729 /nfs/dbraw/zinc/28/27/29/332282729.db2.gz DRRKQRHPGPLVJG-UHFFFAOYSA-N 1 0 316.470 4.332 20 30 DIEDRO C=CCC(F)(F)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000293094203 335099879 /nfs/dbraw/zinc/09/98/79/335099879.db2.gz GITYDJGJYLUPOX-UHFFFAOYSA-N 1 0 319.355 4.000 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(C(F)(F)F)s3)CC2)c1 ZINC000560070993 332308695 /nfs/dbraw/zinc/30/86/95/332308695.db2.gz FVZIKCPXJDGLEK-UHFFFAOYSA-N 1 0 322.355 4.417 20 30 DIEDRO CC(C)(C)[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000560243008 332322175 /nfs/dbraw/zinc/32/21/75/332322175.db2.gz XMAUTHLDALHMGB-IBGZPJMESA-N 1 0 318.424 4.083 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccco1 ZINC000560518604 332349570 /nfs/dbraw/zinc/34/95/70/332349570.db2.gz HMUNYEKFYWNRLH-MSOLQXFVSA-N 1 0 316.420 4.319 20 30 DIEDRO N#Cc1ccc(CN(CCC(F)(F)F)Cc2ccccc2)o1 ZINC000191781002 332350496 /nfs/dbraw/zinc/35/04/96/332350496.db2.gz JSCDCDFNLHIHCH-UHFFFAOYSA-N 1 0 308.303 4.106 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000560526890 332351469 /nfs/dbraw/zinc/35/14/69/332351469.db2.gz IDJYZCAXHGWMCZ-MRXNPFEDSA-N 1 0 300.358 4.027 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000560551282 332358024 /nfs/dbraw/zinc/35/80/24/332358024.db2.gz YMJUHBGIZFYNGH-TVRCVXMWSA-N 1 0 320.436 4.179 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2cc(C#N)ccc2F)C(C)C)cc1 ZINC000120152837 332383927 /nfs/dbraw/zinc/38/39/27/332383927.db2.gz QLQGYGUUIYNCOD-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO COc1ccc(C[C@@H](C)C[NH+]2CCC(CCC#N)CC2)cc1F ZINC000564990451 332385092 /nfs/dbraw/zinc/38/50/92/332385092.db2.gz ITHHHMYBKXJZOJ-OAHLLOKOSA-N 1 0 318.436 4.029 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000237744130 332387974 /nfs/dbraw/zinc/38/79/74/332387974.db2.gz HNWJYUDBUHWWML-UHFFFAOYSA-N 1 0 314.816 4.312 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CC(C)(C)CCC#N)c(OC)c1 ZINC000121021828 332391193 /nfs/dbraw/zinc/39/11/93/332391193.db2.gz AYFLEJTWHSYWBP-KRWDZBQOSA-N 1 0 316.445 4.171 20 30 DIEDRO C[C@@H]1CCC[C@H](CC[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000560930417 332395059 /nfs/dbraw/zinc/39/50/59/332395059.db2.gz UPIZVTRCZLQURX-QZTJIDSGSA-N 1 0 311.473 4.155 20 30 DIEDRO C=C(CC)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000560927380 332395356 /nfs/dbraw/zinc/39/53/56/332395356.db2.gz LNXLYBYOVMEWCO-UHFFFAOYSA-N 1 0 324.262 4.011 20 30 DIEDRO C=CCC1(C[NH2+]C2CCN(c3nc(C)cs3)CC2)CCCC1 ZINC000449602701 332441532 /nfs/dbraw/zinc/44/15/32/332441532.db2.gz DKOALEQXWADYQF-UHFFFAOYSA-N 1 0 319.518 4.146 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)c(OC(C)(C)C)c1 ZINC000150966683 332464450 /nfs/dbraw/zinc/46/44/50/332464450.db2.gz GTAVLJIKSCVVOX-UHFFFAOYSA-N 1 0 308.425 4.334 20 30 DIEDRO Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000562068217 332541344 /nfs/dbraw/zinc/54/13/44/332541344.db2.gz MDYFXQTYYWAJGF-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO CN(C)c1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1F ZINC000130601668 332542014 /nfs/dbraw/zinc/54/20/14/332542014.db2.gz SHIXMORACODYFV-GOSISDBHSA-N 1 0 311.404 4.026 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(c3ccc(F)cc3F)CC1)CC2 ZINC000562088909 332544675 /nfs/dbraw/zinc/54/46/75/332544675.db2.gz LLRWOOLTRCZWIA-IBGZPJMESA-N 1 0 324.374 4.145 20 30 DIEDRO CSc1ccc(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000562099410 332546387 /nfs/dbraw/zinc/54/63/87/332546387.db2.gz CZUOBHHRQMUNCZ-LJQANCHMSA-N 1 0 308.450 4.100 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)c(C)c1 ZINC000562415949 332591433 /nfs/dbraw/zinc/59/14/33/332591433.db2.gz XNIUPAXXSRRRCJ-ZDUSSCGKSA-N 1 0 314.816 4.380 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000562506949 332600006 /nfs/dbraw/zinc/60/00/06/332600006.db2.gz ZJNFSYHSRGJJDT-HXUWFJFHSA-N 1 0 322.452 4.337 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000562518028 332601073 /nfs/dbraw/zinc/60/10/73/332601073.db2.gz YSNROAAUCRUIIG-IGOJGBNBSA-N 1 0 320.436 4.271 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(Br)ccc1F ZINC000135141193 332615835 /nfs/dbraw/zinc/61/58/35/332615835.db2.gz QWBOJVCZZAAYRA-UHFFFAOYSA-N 1 0 313.214 4.008 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(F)ccc1Br ZINC000135154202 332615992 /nfs/dbraw/zinc/61/59/92/332615992.db2.gz VIVNYWCMRSZPIS-UHFFFAOYSA-N 1 0 313.214 4.008 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3OC)cc1 ZINC000151904560 332637708 /nfs/dbraw/zinc/63/77/08/332637708.db2.gz UVLCWKSRHRXGNN-LJQANCHMSA-N 1 0 309.409 4.037 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000562900572 332638468 /nfs/dbraw/zinc/63/84/68/332638468.db2.gz AEAFCWWEZHWDNY-INWMFGNUSA-N 1 0 324.262 4.081 20 30 DIEDRO CCCOCc1ccccc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443979791 332647133 /nfs/dbraw/zinc/64/71/33/332647133.db2.gz OTPXRAODXNHLJD-UHFFFAOYSA-N 1 0 308.425 4.083 20 30 DIEDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000570302023 332737501 /nfs/dbraw/zinc/73/75/01/332737501.db2.gz HBDAODKVUKYIDX-VBKZILBWSA-N 1 0 308.400 4.296 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000466399589 333017836 /nfs/dbraw/zinc/01/78/36/333017836.db2.gz PCHZPEOJXPMXBR-CYBMUJFWSA-N 1 0 317.414 4.163 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000466424025 333020638 /nfs/dbraw/zinc/02/06/38/333020638.db2.gz UHPNYLNUSDZUEP-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(F)c(Cl)c2Cl)c1 ZINC000466427126 333020831 /nfs/dbraw/zinc/02/08/31/333020831.db2.gz ZPLDIMZIERAKCL-UHFFFAOYSA-N 1 0 323.198 4.336 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1OCCCC#N ZINC000172173731 333059697 /nfs/dbraw/zinc/05/96/97/333059697.db2.gz CQCVJXGWOBEKRY-HNNXBMFYSA-N 1 0 316.445 4.046 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000442791850 335119265 /nfs/dbraw/zinc/11/92/65/335119265.db2.gz KQDJPPRGOSDQHQ-SWLSCSKDSA-N 1 0 321.262 4.009 20 30 DIEDRO CN1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000174460420 333086542 /nfs/dbraw/zinc/08/65/42/333086542.db2.gz JPSJUERFWROORY-WBVHZDCISA-N 1 0 319.518 4.051 20 30 DIEDRO CC(C)[NH+](CCNc1ccc(C#N)c(C(F)(F)F)c1)C(C)C ZINC000314347180 333104228 /nfs/dbraw/zinc/10/42/28/333104228.db2.gz KYGLBDYEZCYJGZ-UHFFFAOYSA-N 1 0 313.367 4.108 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCC2(C)C)cc1OCCCC#N ZINC000175868214 333105811 /nfs/dbraw/zinc/10/58/11/333105811.db2.gz TUAPQGBUKUSCAW-SFHVURJKSA-N 1 0 316.445 4.046 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462810680 333117733 /nfs/dbraw/zinc/11/77/33/333117733.db2.gz KCQVLTMJVBFPFI-MRXNPFEDSA-N 1 0 314.473 4.406 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000178509290 333140041 /nfs/dbraw/zinc/14/00/41/333140041.db2.gz JQBNQLGICZCJHT-CQSZACIVSA-N 1 0 310.363 4.262 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]CCCCC#N)c2cccc(Br)c21 ZINC000178647450 333141923 /nfs/dbraw/zinc/14/19/23/333141923.db2.gz DVMUGHFSOXECRQ-FZMZJTMJSA-N 1 0 307.235 4.281 20 30 DIEDRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCCCC#N ZINC000179302087 333149103 /nfs/dbraw/zinc/14/91/03/333149103.db2.gz RWDHXUOVEKWGRP-UHFFFAOYSA-N 1 0 324.472 4.012 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180065367 333158146 /nfs/dbraw/zinc/15/81/46/333158146.db2.gz YMCBSJKIKAZNFU-MLGOLLRUSA-N 1 0 321.346 4.190 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CCCCC#N)ccc1OCC(C)C ZINC000180093565 333158464 /nfs/dbraw/zinc/15/84/64/333158464.db2.gz FACTVAICCAQQAG-HNNXBMFYSA-N 1 0 304.434 4.074 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccccc2)CCC1)c1ccc(OCC#N)cc1 ZINC000180351589 333161189 /nfs/dbraw/zinc/16/11/89/333161189.db2.gz ICSPZDLFMLHXOQ-INIZCTEOSA-N 1 0 306.409 4.319 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000180542519 333162972 /nfs/dbraw/zinc/16/29/72/333162972.db2.gz KFPFLLPEEYTQMZ-ORAYPTAESA-N 1 0 310.372 4.066 20 30 DIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCCC#N)cc1 ZINC000181139507 333167645 /nfs/dbraw/zinc/16/76/45/333167645.db2.gz DVPFQAFVDXJTML-IBGZPJMESA-N 1 0 312.388 4.011 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1ccc(-c2cccnc2)cc1 ZINC000181323681 333168802 /nfs/dbraw/zinc/16/88/02/333168802.db2.gz QJHHLBHCVHKLEF-HNNXBMFYSA-N 1 0 311.454 4.046 20 30 DIEDRO Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181552753 333170129 /nfs/dbraw/zinc/17/01/29/333170129.db2.gz KDQLTPLDFXPYNF-SJORKVTESA-N 1 0 324.424 4.016 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1cccc(C(F)(F)F)c1 ZINC000181615161 333170701 /nfs/dbraw/zinc/17/07/01/333170701.db2.gz CKYSTKAJUXHPHP-LLVKDONJSA-N 1 0 302.365 4.003 20 30 DIEDRO Cc1c2ccccc2oc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181754163 333172102 /nfs/dbraw/zinc/17/21/02/333172102.db2.gz HAHCGKHOZULVMP-HNNXBMFYSA-N 1 0 320.392 4.494 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(OCC#N)cc1 ZINC000181786590 333172431 /nfs/dbraw/zinc/17/24/31/333172431.db2.gz LHNSJDDYHBYNCG-OAHLLOKOSA-N 1 0 324.399 4.110 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccc(OCC#N)cc1 ZINC000181816931 333172616 /nfs/dbraw/zinc/17/26/16/333172616.db2.gz WTPKJOAHNSDLMQ-LSDHHAIUSA-N 1 0 314.454 4.180 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000183989553 333190672 /nfs/dbraw/zinc/19/06/72/333190672.db2.gz OFTAVVCHLLVNRK-ZDUSSCGKSA-N 1 0 316.351 4.377 20 30 DIEDRO N#CCCN(Cc1ccco1)CC1CCC(C(F)(F)F)CC1 ZINC000185489339 333209284 /nfs/dbraw/zinc/20/92/84/333209284.db2.gz IXVDNFYBTVEOJJ-UHFFFAOYSA-N 1 0 314.351 4.364 20 30 DIEDRO CC(C)(C)OCc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185807822 333214397 /nfs/dbraw/zinc/21/43/97/333214397.db2.gz GDPBJJKDQOHJFW-CRAIPNDOSA-N 1 0 300.446 4.174 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000185852489 333215089 /nfs/dbraw/zinc/21/50/89/333215089.db2.gz SIEZRGWLGJIYRT-GQIGUUNPSA-N 1 0 305.425 4.482 20 30 DIEDRO COc1ccsc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000186226428 333217815 /nfs/dbraw/zinc/21/78/15/333217815.db2.gz WYRCRZLWFKGUFL-HIFRSBDPSA-N 1 0 300.427 4.452 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000497263119 333228736 /nfs/dbraw/zinc/22/87/36/333228736.db2.gz SADWPCNZZMOJOP-BDJLRTHQSA-N 1 0 320.845 4.139 20 30 DIEDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000500371799 333238990 /nfs/dbraw/zinc/23/89/90/333238990.db2.gz MXYNNEFOZFPQCS-MRXNPFEDSA-N 1 0 308.425 4.128 20 30 DIEDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000514085754 333250548 /nfs/dbraw/zinc/25/05/48/333250548.db2.gz XHRLXGHHKZUROS-GOSISDBHSA-N 1 0 300.446 4.380 20 30 DIEDRO CC[N@H+](CCOc1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593799 333267551 /nfs/dbraw/zinc/26/75/51/333267551.db2.gz JUAIIUUFMYIIPL-QGZVFWFLSA-N 1 0 308.425 4.329 20 30 DIEDRO CC[N@H+](Cc1cc(OC)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497619480 333270464 /nfs/dbraw/zinc/27/04/64/333270464.db2.gz SXRIFVMLZKRBHI-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO CC(C)([NH2+]CCCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000191694931 333281675 /nfs/dbraw/zinc/28/16/75/333281675.db2.gz IJORBSLHNPIOMG-UHFFFAOYSA-N 1 0 300.324 4.104 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000193294591 333301196 /nfs/dbraw/zinc/30/11/96/333301196.db2.gz CMOFRARCYKZFNR-NDXORKPFSA-N 1 0 320.436 4.059 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000111390627 333329393 /nfs/dbraw/zinc/32/93/93/333329393.db2.gz NYFMLWUAECFERH-IBGZPJMESA-N 1 0 320.436 4.189 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1OC ZINC000119372064 333352051 /nfs/dbraw/zinc/35/20/51/333352051.db2.gz FVULGHQWZQAECW-MRXNPFEDSA-N 1 0 313.397 4.020 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000161071492 333371195 /nfs/dbraw/zinc/37/11/95/333371195.db2.gz PVBYUJPUHRPZRG-UHFFFAOYSA-N 1 0 311.429 4.337 20 30 DIEDRO CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000563122024 333392785 /nfs/dbraw/zinc/39/27/85/333392785.db2.gz JHJQHWWJLMEQMO-UHFFFAOYSA-N 1 0 314.816 4.095 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000320017391 333421520 /nfs/dbraw/zinc/42/15/20/333421520.db2.gz VEUUINLFFOZVRV-UHFFFAOYSA-N 1 0 319.880 4.182 20 30 DIEDRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC1(CC#N)CC1 ZINC000337249212 333444212 /nfs/dbraw/zinc/44/42/12/333444212.db2.gz JEHNBTMCMFCXKD-JLHYYAGUSA-N 1 0 308.347 4.392 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1)CC2 ZINC000570978062 333473243 /nfs/dbraw/zinc/47/32/43/333473243.db2.gz NKPBIOXUPQQQJY-HLAWJBBLSA-N 1 0 302.421 4.471 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccco1 ZINC000296413544 335144206 /nfs/dbraw/zinc/14/42/06/335144206.db2.gz KZULFWORLAAEEB-CYBMUJFWSA-N 1 0 310.319 4.491 20 30 DIEDRO C=C(C)[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(F)c(F)c1 ZINC000296503503 335146066 /nfs/dbraw/zinc/14/60/66/335146066.db2.gz QDEQIBIFQOIIML-XZJROXQQSA-N 1 0 303.356 4.074 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000411480783 333681453 /nfs/dbraw/zinc/68/14/53/333681453.db2.gz WOMCBXGZBOAMNM-KRWDZBQOSA-N 1 0 322.456 4.387 20 30 DIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000411480785 333681459 /nfs/dbraw/zinc/68/14/59/333681459.db2.gz WOMCBXGZBOAMNM-QGZVFWFLSA-N 1 0 322.456 4.387 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@@H]1OCCc2sccc21 ZINC000411754313 333706204 /nfs/dbraw/zinc/70/62/04/333706204.db2.gz DWSZMPNNLFEJTA-YOEHRIQHSA-N 1 0 318.486 4.204 20 30 DIEDRO C=CCCc1ccccc1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000412323625 333747063 /nfs/dbraw/zinc/74/70/63/333747063.db2.gz XFDQYNHFJBDGSC-OAGGEKHMSA-N 1 0 300.446 4.005 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cc(Br)ccc1F ZINC000414175740 333908651 /nfs/dbraw/zinc/90/86/51/333908651.db2.gz ZNTIZYHRCSKIBB-JTQLQIEISA-N 1 0 313.214 4.179 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc(Br)ccc1F ZINC000414175741 333908817 /nfs/dbraw/zinc/90/88/17/333908817.db2.gz ZNTIZYHRCSKIBB-SNVBAGLBSA-N 1 0 313.214 4.179 20 30 DIEDRO COc1ccc2oc([C@@H](C)[NH2+]CC(C)(C)CC#N)c(C)c2c1 ZINC000414160715 333914946 /nfs/dbraw/zinc/91/49/46/333914946.db2.gz DKDKMXKSZIQXAT-CYBMUJFWSA-N 1 0 300.402 4.340 20 30 DIEDRO Cc1cc([C@H]([NH2+]CC(C)(C)CC#N)c2cccnc2)ccc1F ZINC000414160156 333915035 /nfs/dbraw/zinc/91/50/35/333915035.db2.gz CQIMAVRJKARIGV-SFHVURJKSA-N 1 0 311.404 4.148 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000414167531 333916902 /nfs/dbraw/zinc/91/69/02/333916902.db2.gz PIIHBFZBJAECOE-SNVBAGLBSA-N 1 0 313.264 4.027 20 30 DIEDRO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC(C)(C)CC#N)cc1F ZINC000414168242 333916912 /nfs/dbraw/zinc/91/69/12/333916912.db2.gz QKENSJKIRNURDZ-DOTOQJQBSA-N 1 0 318.436 4.390 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CC(F)(F)F ZINC000414245512 333919399 /nfs/dbraw/zinc/91/93/99/333919399.db2.gz BNUHNZDICJQICK-WDEREUQCSA-N 1 0 302.315 4.327 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000264562394 333957991 /nfs/dbraw/zinc/95/79/91/333957991.db2.gz OVPDWILLQLTVSI-FQEVSTJZSA-N 1 0 306.409 4.220 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](CC)c2ccccc2)cc(OC)c1O ZINC000414491208 333995887 /nfs/dbraw/zinc/99/58/87/333995887.db2.gz CLERDWHPXXXGTR-GOSISDBHSA-N 1 0 311.425 4.370 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cnccc1C(C)(C)C ZINC000414504914 334000593 /nfs/dbraw/zinc/00/05/93/334000593.db2.gz YTBMJJXHEIANME-UHFFFAOYSA-N 1 0 310.441 4.234 20 30 DIEDRO N#CCC1(C[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000366832591 335171614 /nfs/dbraw/zinc/17/16/14/335171614.db2.gz SSBLDLVBYOTLGU-UHFFFAOYSA-N 1 0 308.347 4.235 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270336549 334011635 /nfs/dbraw/zinc/01/16/35/334011635.db2.gz TXGDPAQZXSPECV-UHFFFAOYSA-N 1 0 308.347 4.182 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000271262618 334020526 /nfs/dbraw/zinc/02/05/26/334020526.db2.gz KXTKTXSSAVNODN-DLBZAZTESA-N 1 0 318.461 4.278 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414568967 334023380 /nfs/dbraw/zinc/02/33/80/334023380.db2.gz ZBLMVSXCWNAWCA-SFHVURJKSA-N 1 0 312.457 4.170 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000271434695 334023459 /nfs/dbraw/zinc/02/34/59/334023459.db2.gz BNQBVGMNXPLREZ-QRWLVFNGSA-N 1 0 306.409 4.412 20 30 DIEDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000271517151 334024132 /nfs/dbraw/zinc/02/41/32/334024132.db2.gz UFMYWQVEBJYVLU-CABCVRRESA-N 1 0 312.388 4.448 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000271492429 334024170 /nfs/dbraw/zinc/02/41/70/334024170.db2.gz PASMPDYJGRJYBT-HXUWFJFHSA-N 1 0 306.409 4.386 20 30 DIEDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271523516 334024389 /nfs/dbraw/zinc/02/43/89/334024389.db2.gz VFEKUBBEOPDPSF-HOTGVXAUSA-N 1 0 324.424 4.399 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000271700941 334025607 /nfs/dbraw/zinc/02/56/07/334025607.db2.gz NPHGOPQKRQWPLP-OAHLLOKOSA-N 1 0 308.425 4.347 20 30 DIEDRO N#CCSCCC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000271791177 334027103 /nfs/dbraw/zinc/02/71/03/334027103.db2.gz NBSZWPGQTBZDDG-UHFFFAOYSA-N 1 0 315.269 4.219 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000271800088 334027112 /nfs/dbraw/zinc/02/71/12/334027112.db2.gz RWKJCJADNUINMB-LJQANCHMSA-N 1 0 324.424 4.229 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000271863446 334027715 /nfs/dbraw/zinc/02/77/15/334027715.db2.gz KWOROVQCPUXGQN-HUUCEWRRSA-N 1 0 312.388 4.182 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271961624 334029140 /nfs/dbraw/zinc/02/91/40/334029140.db2.gz RHJBVCGABBKRLV-DJJJIMSYSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271989247 334029531 /nfs/dbraw/zinc/02/95/31/334029531.db2.gz YSNSNEKJUUDLNL-AUUYWEPGSA-N 1 0 307.372 4.393 20 30 DIEDRO N#CCCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000273291570 334044914 /nfs/dbraw/zinc/04/49/14/334044914.db2.gz SGIBWJBHLVICEV-AWEZNQCLSA-N 1 0 315.417 4.220 20 30 DIEDRO COCCC(C)(C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000274201595 334056819 /nfs/dbraw/zinc/05/68/19/334056819.db2.gz LJFVIYOIYQENAO-UHFFFAOYSA-N 1 0 314.473 4.043 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000274625324 334064146 /nfs/dbraw/zinc/06/41/46/334064146.db2.gz NLDGGKWOBLXRHP-DUVNUKRYSA-N 1 0 311.454 4.461 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000274625328 334064182 /nfs/dbraw/zinc/06/41/82/334064182.db2.gz NLDGGKWOBLXRHP-NOLJZWGESA-N 1 0 311.454 4.461 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000571653735 334069140 /nfs/dbraw/zinc/06/91/40/334069140.db2.gz ZMEIBBPMHNVGKS-UHFFFAOYSA-N 1 0 320.223 4.285 20 30 DIEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1nc2ccccc2n1C(F)F ZINC000275426271 334070894 /nfs/dbraw/zinc/07/08/94/334070894.db2.gz GSBQVRVHBBBKRZ-GFCCVEGCSA-N 1 0 320.387 4.412 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000275595615 334072168 /nfs/dbraw/zinc/07/21/68/334072168.db2.gz PANQEHWIAKMLDT-OALUTQOASA-N 1 0 306.409 4.015 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000277725797 334090373 /nfs/dbraw/zinc/09/03/73/334090373.db2.gz NRJWTRRHTYMCID-UHFFFAOYSA-N 1 0 311.429 4.397 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278556517 334097958 /nfs/dbraw/zinc/09/79/58/334097958.db2.gz BEIDYLWNVPDJQD-CYBMUJFWSA-N 1 0 310.363 4.262 20 30 DIEDRO COc1ccc([C@H]([NH2+]CCCCC(C)(C)C#N)C2CC2)cc1 ZINC000278700317 334100229 /nfs/dbraw/zinc/10/02/29/334100229.db2.gz JNXPXAAFBUFZRQ-GOSISDBHSA-N 1 0 300.446 4.456 20 30 DIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCC(C)(C)C#N ZINC000278812768 334101813 /nfs/dbraw/zinc/10/18/13/334101813.db2.gz BQYDBIUBWGFYER-INIZCTEOSA-N 1 0 308.853 4.289 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000353191875 334106122 /nfs/dbraw/zinc/10/61/22/334106122.db2.gz LLTKNIRHGILLBT-SFHVURJKSA-N 1 0 309.409 4.173 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Br)cn1 ZINC000280588525 334118638 /nfs/dbraw/zinc/11/86/38/334118638.db2.gz UBTZETIZGPCONC-LBPRGKRZSA-N 1 0 324.266 4.215 20 30 DIEDRO C[C@@H]([NH2+]CCCc1ccccc1F)c1ccc(OCC#N)cc1 ZINC000280844464 334120551 /nfs/dbraw/zinc/12/05/51/334120551.db2.gz AXTJYIGRWXOGTO-OAHLLOKOSA-N 1 0 312.388 4.011 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc2ccccc2o1 ZINC000281426742 334125928 /nfs/dbraw/zinc/12/59/28/334125928.db2.gz SDUOUNFMCQGBQC-HNNXBMFYSA-N 1 0 312.413 4.184 20 30 DIEDRO N#CC1(CCC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CCOCC1 ZINC000281473921 334126293 /nfs/dbraw/zinc/12/62/93/334126293.db2.gz WCKQECKIHMNYSN-MOPGFXCFSA-N 1 0 312.457 4.013 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000340103640 334127362 /nfs/dbraw/zinc/12/73/62/334127362.db2.gz JJAYHSPGNHAJPO-FQEVSTJZSA-N 1 0 321.424 4.005 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)ccc1OCC(C)C ZINC000281878249 334129172 /nfs/dbraw/zinc/12/91/72/334129172.db2.gz FXDVBOAHXLWCBZ-ZMSDIMECSA-N 1 0 316.445 4.073 20 30 DIEDRO CC(C)C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281895505 334129423 /nfs/dbraw/zinc/12/94/23/334129423.db2.gz FCIHXPHIHHKYMG-IBGZPJMESA-N 1 0 314.473 4.464 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]CCCC1(C#N)CCOCC1)C1CC1 ZINC000282015794 334130579 /nfs/dbraw/zinc/13/05/79/334130579.db2.gz OTDRTNJGJWCUAQ-LJQANCHMSA-N 1 0 312.457 4.136 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1OC(F)F ZINC000282237815 334132671 /nfs/dbraw/zinc/13/26/71/334132671.db2.gz IWWXROBAMILVSV-HSBZDZAISA-N 1 0 308.372 4.269 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000282249180 334132810 /nfs/dbraw/zinc/13/28/10/334132810.db2.gz JLFUWPGHPDJUPM-FHERZECASA-N 1 0 302.487 4.259 20 30 DIEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OC)c(OC)c1 ZINC000282520744 334135254 /nfs/dbraw/zinc/13/52/54/334135254.db2.gz ZPYJDAULGBUBPD-VMBOVVBDSA-N 1 0 316.445 4.074 20 30 DIEDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000285762787 334150187 /nfs/dbraw/zinc/15/01/87/334150187.db2.gz SGKZQIIVFGJGTN-UHFFFAOYSA-N 1 0 311.429 4.118 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C1 ZINC000467434865 334153748 /nfs/dbraw/zinc/15/37/48/334153748.db2.gz FZMBWHRDPPKQEE-HQSMGLLHSA-N 1 0 306.812 4.397 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1cccs1 ZINC000286951295 334155161 /nfs/dbraw/zinc/15/51/61/334155161.db2.gz MOWJVGRKTOFCLV-QGZVFWFLSA-N 1 0 312.438 4.234 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000287043162 334156065 /nfs/dbraw/zinc/15/60/65/334156065.db2.gz MJYYNHWMCQPTEV-IVMQYODDSA-N 1 0 314.498 4.123 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289439474 334165373 /nfs/dbraw/zinc/16/53/73/334165373.db2.gz DOHWRAXXMIKUND-RBUKOAKNSA-N 1 0 324.468 4.021 20 30 DIEDRO CC(C)(CCC#N)C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000289560050 334166520 /nfs/dbraw/zinc/16/65/20/334166520.db2.gz YMHLBZIJQAGMCY-UHFFFAOYSA-N 1 0 321.468 4.456 20 30 DIEDRO CN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)CCC#N)cn1 ZINC000343593013 335180262 /nfs/dbraw/zinc/18/02/62/335180262.db2.gz ARDVEJBDWBYCLQ-UHFFFAOYSA-N 1 0 322.456 4.269 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290462391 334172831 /nfs/dbraw/zinc/17/28/31/334172831.db2.gz WOXNQESZJMTREC-LRGNLBRXSA-N 1 0 320.436 4.133 20 30 DIEDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000290505001 334173153 /nfs/dbraw/zinc/17/31/53/334173153.db2.gz YJRBCMNQGWNTOY-ROUUACIJSA-N 1 0 324.399 4.456 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000291292029 334177709 /nfs/dbraw/zinc/17/77/09/334177709.db2.gz ZUZWLUSJJKRZCL-BPAFIMBUSA-N 1 0 306.409 4.043 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000291336514 334177806 /nfs/dbraw/zinc/17/78/06/334177806.db2.gz WBRKDRXJNACUMC-UXHICEINSA-N 1 0 306.409 4.404 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000291687971 334180845 /nfs/dbraw/zinc/18/08/45/334180845.db2.gz XVLJCJDLUVNLTB-OLZOCXBDSA-N 1 0 315.417 4.121 20 30 DIEDRO COC1(C[C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)CCC1 ZINC000340429670 334198134 /nfs/dbraw/zinc/19/81/34/334198134.db2.gz CKGMLLCRCIOPFN-WMZOPIPTSA-N 1 0 300.446 4.359 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC000293758809 334201895 /nfs/dbraw/zinc/20/18/95/334201895.db2.gz JSQIHPMYIORQBW-BZUAXINKSA-N 1 0 318.848 4.123 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC000293758816 334201903 /nfs/dbraw/zinc/20/19/03/334201903.db2.gz JSQIHPMYIORQBW-PMPSAXMXSA-N 1 0 318.848 4.123 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293833571 334202610 /nfs/dbraw/zinc/20/26/10/334202610.db2.gz WOXNQESZJMTREC-DVWBAYGPSA-N 1 0 320.436 4.133 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1O ZINC000340444260 334202962 /nfs/dbraw/zinc/20/29/62/334202962.db2.gz HRKMRJMYWFPNGY-MAUKXSAKSA-N 1 0 324.424 4.487 20 30 DIEDRO C[C@H](c1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1)C(F)(F)F ZINC000294885518 334214020 /nfs/dbraw/zinc/21/40/20/334214020.db2.gz CJJPYPVRJFWFET-CYBMUJFWSA-N 1 0 310.363 4.478 20 30 DIEDRO CC(C)(O)c1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000295672590 334226465 /nfs/dbraw/zinc/22/64/65/334226465.db2.gz JLAPYIIGKLJPBC-IBGZPJMESA-N 1 0 308.425 4.049 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000467447825 334229579 /nfs/dbraw/zinc/22/95/79/334229579.db2.gz JDOIPENEGMSLQE-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1SC ZINC000296327627 334231893 /nfs/dbraw/zinc/23/18/93/334231893.db2.gz HDECHXQRINVNQX-YDHLFZDLSA-N 1 0 304.459 4.150 20 30 DIEDRO C[C@@H](CCC#N)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000298087418 334246448 /nfs/dbraw/zinc/24/64/48/334246448.db2.gz HYHCNGBAUZIXAT-JTQLQIEISA-N 1 0 317.380 4.034 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H](C)CCC#N)ccc1OCC(C)C ZINC000299519800 334256050 /nfs/dbraw/zinc/25/60/50/334256050.db2.gz CVYABYQUVPJVHF-GJZGRUSLSA-N 1 0 304.434 4.073 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000187703761 334269075 /nfs/dbraw/zinc/26/90/75/334269075.db2.gz CLPDEADENOLPBR-JXFKEZNVSA-N 1 0 305.425 4.196 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000442994011 338441141 /nfs/dbraw/zinc/44/11/41/338441141.db2.gz BBOWLYBFPZSVPD-SJLPKXTDSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2c(CC)cccc2CC)CC1 ZINC000111259117 334314324 /nfs/dbraw/zinc/31/43/24/334314324.db2.gz AEDDKQZSAORKBY-HNNXBMFYSA-N 1 0 314.473 4.036 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000111258460 334314409 /nfs/dbraw/zinc/31/44/09/334314409.db2.gz APRDLRZJDLEQOC-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000341596906 334460231 /nfs/dbraw/zinc/46/02/31/334460231.db2.gz NASXXYLZKJYIEH-GUYCJALGSA-N 1 0 316.470 4.096 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC2(CCOCC2)CC1 ZINC000341705922 334472341 /nfs/dbraw/zinc/47/23/41/334472341.db2.gz OVUXZKWROXAHTB-HXUWFJFHSA-N 1 0 324.468 4.265 20 30 DIEDRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341761525 334478359 /nfs/dbraw/zinc/47/83/59/334478359.db2.gz PLVORAKKYGBOHS-SJKOYZFVSA-N 1 0 311.454 4.360 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccc1C ZINC000341763271 334478506 /nfs/dbraw/zinc/47/85/06/334478506.db2.gz WNINLDJNWPSMTA-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO COc1ccc(C)cc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341820212 334482298 /nfs/dbraw/zinc/48/22/98/334482298.db2.gz XWMSRZRXQHWUHZ-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341875784 334488727 /nfs/dbraw/zinc/48/87/27/334488727.db2.gz KHSYDTWHFBKGIN-CVEARBPZSA-N 1 0 323.440 4.339 20 30 DIEDRO N#CCC[C@@H]([NH2+]CCCCOc1ccccc1)c1ccccc1 ZINC000342189513 334515920 /nfs/dbraw/zinc/51/59/20/334515920.db2.gz FSOOXIHZECQBNH-HXUWFJFHSA-N 1 0 308.425 4.480 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342798185 334572775 /nfs/dbraw/zinc/57/27/75/334572775.db2.gz RYZVQGGPNFZNFF-IBGZPJMESA-N 1 0 316.408 4.003 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+]CC(C)(C)CCC#N)o2)cs1 ZINC000343064627 334599862 /nfs/dbraw/zinc/59/98/62/334599862.db2.gz IGZGKHGIVYJRRX-UHFFFAOYSA-N 1 0 303.431 4.131 20 30 DIEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415919765 334628783 /nfs/dbraw/zinc/62/87/83/334628783.db2.gz IKMYZNVUOSHEMN-UHFFFAOYSA-N 1 0 323.440 4.016 20 30 DIEDRO COc1cc(C[NH2+]CCc2cccc3ccccc32)ccc1C#N ZINC000440811096 334633105 /nfs/dbraw/zinc/63/31/05/334633105.db2.gz WYZGGWWMBUEZFA-UHFFFAOYSA-N 1 0 316.404 4.052 20 30 DIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415945083 334634961 /nfs/dbraw/zinc/63/49/61/334634961.db2.gz QLWOAJUACJIJFM-UHFFFAOYSA-N 1 0 323.440 4.016 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCNc2ccccc21 ZINC000417366292 334744500 /nfs/dbraw/zinc/74/45/00/334744500.db2.gz NDBQOCZNKMDRLV-RTWAWAEBSA-N 1 0 317.436 4.472 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000417369454 334764721 /nfs/dbraw/zinc/76/47/21/334764721.db2.gz REQFQBYGQQHLAF-UKAVVXHISA-N 1 0 324.468 4.121 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000417373696 334764924 /nfs/dbraw/zinc/76/49/24/334764924.db2.gz XPGCCWQNJPZTBV-FOIQADDNSA-N 1 0 319.452 4.352 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417373251 334764982 /nfs/dbraw/zinc/76/49/82/334764982.db2.gz XAJCBXNFBXTRCJ-WOJBJXKFSA-N 1 0 305.425 4.318 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)ccc1C#N ZINC000443979609 338465185 /nfs/dbraw/zinc/46/51/85/338465185.db2.gz PGICFWAABDEGLQ-RTWAWAEBSA-N 1 0 320.436 4.124 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)ccc1C#N ZINC000443981479 338465190 /nfs/dbraw/zinc/46/51/90/338465190.db2.gz AUPUENDIMMBGKV-JKSUJKDBSA-N 1 0 310.363 4.325 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)ccc1C#N ZINC000443981476 338465231 /nfs/dbraw/zinc/46/52/31/338465231.db2.gz AUPUENDIMMBGKV-CVEARBPZSA-N 1 0 310.363 4.325 20 30 DIEDRO Cc1[nH]c2ccc(C[NH2+]Cc3ccc(C#N)c(C)c3)cc2c1C ZINC000443980916 338465279 /nfs/dbraw/zinc/46/52/79/338465279.db2.gz NYZWVCITDANEDE-UHFFFAOYSA-N 1 0 303.409 4.255 20 30 DIEDRO N#Cc1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)s1 ZINC000425988094 334879279 /nfs/dbraw/zinc/87/92/79/334879279.db2.gz MHBDLESSTHXFSM-UHFFFAOYSA-N 1 0 314.376 4.365 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)c2ccsc2S1 ZINC000343622814 335182254 /nfs/dbraw/zinc/18/22/54/335182254.db2.gz VMYSIFVBHMYNOQ-BLLLJJGKSA-N 1 0 314.479 4.377 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000344002710 335207022 /nfs/dbraw/zinc/20/70/22/335207022.db2.gz BGVMSBLMMZFZLF-FZKQIMNGSA-N 1 0 310.372 4.262 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+][C@H](C)c3ccc(C#N)cc3)o2)cs1 ZINC000344109982 335223967 /nfs/dbraw/zinc/22/39/67/335223967.db2.gz YLGUHWXLRHVHEA-GFCCVEGCSA-N 1 0 323.421 4.434 20 30 DIEDRO CS[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C(C)(C)C ZINC000344311197 335239846 /nfs/dbraw/zinc/23/98/46/335239846.db2.gz WTKVJJGELVLOSR-QGZVFWFLSA-N 1 0 320.502 4.236 20 30 DIEDRO N#CCCC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000344328911 335241156 /nfs/dbraw/zinc/24/11/56/335241156.db2.gz MCUYLWFXORKXHY-UHFFFAOYSA-N 1 0 319.202 4.102 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(C#N)cc1F ZINC000344376676 335248190 /nfs/dbraw/zinc/24/81/90/335248190.db2.gz MAQCXPAXTKWVOW-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(Br)cc1F ZINC000344512125 335257694 /nfs/dbraw/zinc/25/76/94/335257694.db2.gz DRZWOOXUJJJOMK-UHFFFAOYSA-N 1 0 313.214 4.008 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000344821390 335281099 /nfs/dbraw/zinc/28/10/99/335281099.db2.gz JCCFRGGXUUKVNB-HNNXBMFYSA-N 1 0 308.372 4.037 20 30 DIEDRO Cc1ccc(C)n1C1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000345138423 335300624 /nfs/dbraw/zinc/30/06/24/335300624.db2.gz XKZYUMBVDMZRRE-QGZVFWFLSA-N 1 0 307.441 4.375 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)CCOCC1 ZINC000366889755 335301611 /nfs/dbraw/zinc/30/16/11/335301611.db2.gz XZSNDIKZDXNDNC-SQUSKLHYSA-N 1 0 324.468 4.265 20 30 DIEDRO CC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCCC1 ZINC000113340260 335325127 /nfs/dbraw/zinc/32/51/27/335325127.db2.gz PQQWECKNRKXYRZ-UHFFFAOYSA-N 1 0 322.456 4.134 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1c(C)noc1C ZINC000346195401 335389013 /nfs/dbraw/zinc/38/90/13/335389013.db2.gz OGDLLJHMPSLXHY-QLJPJBMISA-N 1 0 301.365 4.104 20 30 DIEDRO CSC[C@H]([NH2+]CCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000346800036 335436808 /nfs/dbraw/zinc/43/68/08/335436808.db2.gz QROVOOWOHYOEHQ-ZDUSSCGKSA-N 1 0 302.365 4.003 20 30 DIEDRO C=C(C[NH2+][C@@H]1CCCOc2ccc(OC)cc21)c1ccccc1 ZINC000346785252 335440778 /nfs/dbraw/zinc/44/07/78/335440778.db2.gz ZKFDXKHEDKVDOW-LJQANCHMSA-N 1 0 309.409 4.212 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1c(C)nn(C)c1C ZINC000347998330 335544865 /nfs/dbraw/zinc/54/48/65/335544865.db2.gz GDSNBUYFVIFFRC-GOSISDBHSA-N 1 0 324.472 4.079 20 30 DIEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000323903571 335668400 /nfs/dbraw/zinc/66/84/00/335668400.db2.gz ZJJBFKDWNQBKFW-UWJYYQICSA-N 1 0 321.468 4.292 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nccc2ccccc21 ZINC000583535362 335684686 /nfs/dbraw/zinc/68/46/86/335684686.db2.gz HINLPQQEMALTOS-OAHLLOKOSA-N 1 0 313.404 4.446 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)s1 ZINC000583539953 335696257 /nfs/dbraw/zinc/69/62/57/335696257.db2.gz ZRHNKGYTDSFQSW-UHFFFAOYSA-N 1 0 318.392 4.278 20 30 DIEDRO CC(C)(C#N)CC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000535664653 335715424 /nfs/dbraw/zinc/71/54/24/335715424.db2.gz GJWPFDRFYJGYHE-UHFFFAOYSA-N 1 0 321.262 4.358 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2)cc1 ZINC000053149554 335835349 /nfs/dbraw/zinc/83/53/49/335835349.db2.gz QTQNXNWIYNOPDR-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc2c(c1)CCCC2 ZINC000520671186 336010205 /nfs/dbraw/zinc/01/02/05/336010205.db2.gz ZLAPEEUWXLUTQJ-AWEZNQCLSA-N 1 0 308.400 4.427 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000520692231 336020924 /nfs/dbraw/zinc/02/09/24/336020924.db2.gz RFOXNAFPSUQDCL-UHFFFAOYSA-N 1 0 323.440 4.002 20 30 DIEDRO CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1Cl ZINC000330228471 336126898 /nfs/dbraw/zinc/12/68/98/336126898.db2.gz VKKLZTDBRXEMHB-OAHLLOKOSA-N 1 0 321.808 4.163 20 30 DIEDRO Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c(O)c1 ZINC000330254468 336130232 /nfs/dbraw/zinc/13/02/32/336130232.db2.gz AWQUOAHFXQSAMA-INIZCTEOSA-N 1 0 302.418 4.086 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000445903060 338515018 /nfs/dbraw/zinc/51/50/18/338515018.db2.gz IQNWUIVCIRFJGL-ZDUSSCGKSA-N 1 0 304.743 4.278 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000445903059 338515024 /nfs/dbraw/zinc/51/50/24/338515024.db2.gz IQNWUIVCIRFJGL-CYBMUJFWSA-N 1 0 304.743 4.278 20 30 DIEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000324413778 336213728 /nfs/dbraw/zinc/21/37/28/336213728.db2.gz WMZJLUZVYYAMAA-LAUBAEHRSA-N 1 0 321.468 4.292 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000042797082 336242748 /nfs/dbraw/zinc/24/27/48/336242748.db2.gz HZJJSLOKOMHSID-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO CCCCOc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000532589133 336256547 /nfs/dbraw/zinc/25/65/47/336256547.db2.gz FIVWFSXHJKNXAX-UHFFFAOYSA-N 1 0 312.388 4.166 20 30 DIEDRO C[C@@H](c1cc(F)ccc1F)N(C)CC#Cc1ccc(F)cc1 ZINC000532609401 336257569 /nfs/dbraw/zinc/25/75/69/336257569.db2.gz SSGFRBWFGWVDTP-ZDUSSCGKSA-N 1 0 303.327 4.148 20 30 DIEDRO C[C@H](c1cc(F)ccc1F)N(C)CC#Cc1ccc(F)cc1 ZINC000532609400 336257581 /nfs/dbraw/zinc/25/75/81/336257581.db2.gz SSGFRBWFGWVDTP-CYBMUJFWSA-N 1 0 303.327 4.148 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000580366869 336260882 /nfs/dbraw/zinc/26/08/82/336260882.db2.gz GHYPAJDBVMCFGH-JHUWSKFTSA-N 1 0 318.420 4.088 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000192774756 336261337 /nfs/dbraw/zinc/26/13/37/336261337.db2.gz NCQHZQYDVSUGSF-HUBLWGQQSA-N 1 0 307.235 4.182 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000192774736 336261394 /nfs/dbraw/zinc/26/13/94/336261394.db2.gz NCQHZQYDVSUGSF-TYNCELHUSA-N 1 0 307.235 4.182 20 30 DIEDRO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000532718597 336268319 /nfs/dbraw/zinc/26/83/19/336268319.db2.gz WDMOYNCPGRPVRQ-GOSISDBHSA-N 1 0 324.472 4.430 20 30 DIEDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000526990400 336278079 /nfs/dbraw/zinc/27/80/79/336278079.db2.gz LTTICXOFRVWPNN-HZPDHXFCSA-N 1 0 306.409 4.120 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000192970257 336286025 /nfs/dbraw/zinc/28/60/25/336286025.db2.gz LCXYYXQPBXFUQB-SFHVURJKSA-N 1 0 314.816 4.483 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000192970269 336286104 /nfs/dbraw/zinc/28/61/04/336286104.db2.gz LCXYYXQPBXFUQB-GOSISDBHSA-N 1 0 314.816 4.483 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193018604 336287073 /nfs/dbraw/zinc/28/70/73/336287073.db2.gz PNRYBXZKAMXTAR-KSSFIOAISA-N 1 0 324.449 4.477 20 30 DIEDRO CC[NH+](CC)Cc1ccc(CNc2cccc(F)c2C#N)cc1 ZINC000301071299 336288363 /nfs/dbraw/zinc/28/83/63/336288363.db2.gz MSOGHFLGBUCMJK-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO N#Cc1c(F)cccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000301071339 336288444 /nfs/dbraw/zinc/28/84/44/336288444.db2.gz VGTUBNWELNCMBS-MRXNPFEDSA-N 1 0 315.417 4.008 20 30 DIEDRO CC[NH+](CC)Cc1ccc(CNc2ccc(C#N)cc2F)cc1 ZINC000301154629 336292294 /nfs/dbraw/zinc/29/22/94/336292294.db2.gz QYMQPVQLPFFLFM-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1CNc1ccc(F)cc1C#N ZINC000301172178 336293250 /nfs/dbraw/zinc/29/32/50/336293250.db2.gz GPXWZPNCWYFQTM-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO N#Cc1cc(Cl)ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000301209824 336295065 /nfs/dbraw/zinc/29/50/65/336295065.db2.gz UHUMQGWBOAAOCK-MRXNPFEDSA-N 1 0 315.804 4.054 20 30 DIEDRO C[C@H]1CCC[N@H+](CCCCNc2c(C#N)cnc3ccccc32)C1 ZINC000301372310 336303132 /nfs/dbraw/zinc/30/31/32/336303132.db2.gz PZYNWANLIGXMEM-INIZCTEOSA-N 1 0 322.456 4.030 20 30 DIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000301386053 336303836 /nfs/dbraw/zinc/30/38/36/336303836.db2.gz CNSGCPWHXWZRGL-HNNXBMFYSA-N 1 0 323.415 4.335 20 30 DIEDRO CCCC[N@H+](C)CC1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301544329 336313726 /nfs/dbraw/zinc/31/37/26/336313726.db2.gz SVXQPIYMFVEGOC-UHFFFAOYSA-N 1 0 319.880 4.160 20 30 DIEDRO C[C@H]([NH2+]C1(CNc2cccc(C#N)n2)CCCC1)c1ccccc1 ZINC000301826362 336332659 /nfs/dbraw/zinc/33/26/59/336332659.db2.gz JEAOGNGMRGSUPI-INIZCTEOSA-N 1 0 320.440 4.029 20 30 DIEDRO C[NH+](C)Cc1ccc(CNc2c(Cl)cccc2C#N)cc1F ZINC000301894263 336336682 /nfs/dbraw/zinc/33/66/82/336336682.db2.gz SUXZMZYZFVZZPX-UHFFFAOYSA-N 1 0 317.795 4.024 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccco1 ZINC000514106392 336361063 /nfs/dbraw/zinc/36/10/63/336361063.db2.gz YDRSDOBNDCGMQT-SJORKVTESA-N 1 0 314.429 4.307 20 30 DIEDRO C[N@@H+]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000302836989 336371562 /nfs/dbraw/zinc/37/15/62/336371562.db2.gz XAWMMTGKUMXJFF-ZWKOTPCHSA-N 1 0 311.816 4.069 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000582233858 336373831 /nfs/dbraw/zinc/37/38/31/336373831.db2.gz GHMCGSNTUHCDEZ-OAHLLOKOSA-N 1 0 312.379 4.327 20 30 DIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000514139031 336374889 /nfs/dbraw/zinc/37/48/89/336374889.db2.gz WCKFNBOHQSNWES-FZKQIMNGSA-N 1 0 314.816 4.250 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000514142316 336375098 /nfs/dbraw/zinc/37/50/98/336375098.db2.gz QKIHZJCPPZMJPX-UGSOOPFHSA-N 1 0 314.816 4.250 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1ccc(C#N)s1 ZINC000152463676 336388075 /nfs/dbraw/zinc/38/80/75/336388075.db2.gz WDIYGPWTEABFHA-UHFFFAOYSA-N 1 0 311.454 4.136 20 30 DIEDRO N#Cc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000111104745 336397746 /nfs/dbraw/zinc/39/77/46/336397746.db2.gz MKZPZTOTDAPQGS-INIZCTEOSA-N 1 0 315.804 4.054 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc1 ZINC000353237137 336407711 /nfs/dbraw/zinc/40/77/11/336407711.db2.gz RWGLKVNNYNRKGV-LJQANCHMSA-N 1 0 309.409 4.173 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000353499216 336420777 /nfs/dbraw/zinc/42/07/77/336420777.db2.gz CFLCLRNHACZQFF-OAHLLOKOSA-N 1 0 323.440 4.088 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)ccc1C#N ZINC000353617245 336429067 /nfs/dbraw/zinc/42/90/67/336429067.db2.gz CXCWGDNHBVOAGW-LJQANCHMSA-N 1 0 320.436 4.469 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000353910860 336447283 /nfs/dbraw/zinc/44/72/83/336447283.db2.gz AIVBCWZDFOSMEM-GOSISDBHSA-N 1 0 300.352 4.490 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000353912206 336447511 /nfs/dbraw/zinc/44/75/11/336447511.db2.gz FAQGGGJCDFQPLG-SFHVURJKSA-N 1 0 309.369 4.120 20 30 DIEDRO COc1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc(OC)c1 ZINC000353917188 336448206 /nfs/dbraw/zinc/44/82/06/336448206.db2.gz SULNCRWSWXYFQC-HXUWFJFHSA-N 1 0 324.424 4.229 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000358170188 336614792 /nfs/dbraw/zinc/61/47/92/336614792.db2.gz QQZJSUMWHFMMBA-BFHYXJOUSA-N 1 0 301.459 4.456 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccnc1 ZINC000358560742 336634616 /nfs/dbraw/zinc/63/46/16/336634616.db2.gz FUXFSZFYVYOMFF-KSSFIOAISA-N 1 0 311.404 4.183 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccnc1 ZINC000358560743 336634621 /nfs/dbraw/zinc/63/46/21/336634621.db2.gz FUXFSZFYVYOMFF-RDTXWAMCSA-N 1 0 311.404 4.183 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](CCO)c1ccccc1 ZINC000360644485 336717095 /nfs/dbraw/zinc/71/70/95/336717095.db2.gz ALMHUJDSHASUPO-SFTDATJTSA-N 1 0 320.436 4.039 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](c1cccnc1)C1CC1 ZINC000360655210 336717586 /nfs/dbraw/zinc/71/75/86/336717586.db2.gz CDRXRCMKLIAJKU-SFTDATJTSA-N 1 0 317.436 4.462 20 30 DIEDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360657863 336717808 /nfs/dbraw/zinc/71/78/08/336717808.db2.gz PJDVFBKVTUWOQL-RDTXWAMCSA-N 1 0 300.446 4.119 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000360773370 336721837 /nfs/dbraw/zinc/72/18/37/336721837.db2.gz RROGPDHWUKSPKT-KGLIPLIRSA-N 1 0 300.402 4.185 20 30 DIEDRO CC(C)OCCCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360871951 336725038 /nfs/dbraw/zinc/72/50/38/336725038.db2.gz LDKWVBPDFWTGAB-IBGZPJMESA-N 1 0 300.446 4.121 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCCCS1 ZINC000360874405 336725168 /nfs/dbraw/zinc/72/51/68/336725168.db2.gz SNUZGIUZHVYUAY-FUHWJXTLSA-N 1 0 300.471 4.201 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC[C@@H]1CCCCO1 ZINC000360881648 336725360 /nfs/dbraw/zinc/72/53/60/336725360.db2.gz CEMNZMTVHSJWHF-AZUAARDMSA-N 1 0 312.457 4.265 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[C@@H]1CCCCO1 ZINC000360881649 336725410 /nfs/dbraw/zinc/72/54/10/336725410.db2.gz CEMNZMTVHSJWHF-ICSRJNTNSA-N 1 0 312.457 4.265 20 30 DIEDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000360882899 336725559 /nfs/dbraw/zinc/72/55/59/336725559.db2.gz HEXMLVYGVXTFOA-GQIGUUNPSA-N 1 0 312.457 4.121 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000360994290 336731393 /nfs/dbraw/zinc/73/13/93/336731393.db2.gz DQZKPPDTJWSDCC-HXUWFJFHSA-N 1 0 309.409 4.124 20 30 DIEDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C1(C)C ZINC000361235585 336745704 /nfs/dbraw/zinc/74/57/04/336745704.db2.gz CUSPRZKODUDCAP-KZNAEPCWSA-N 1 0 300.446 4.213 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c(Cl)c1 ZINC000361923821 336778155 /nfs/dbraw/zinc/77/81/55/336778155.db2.gz DUWNDZXOERUEGI-QGZVFWFLSA-N 1 0 312.800 4.084 20 30 DIEDRO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CCCCC#N)cc1 ZINC000362290916 336791069 /nfs/dbraw/zinc/79/10/69/336791069.db2.gz UHRKTAQNQFBLNL-RTBURBONSA-N 1 0 300.446 4.393 20 30 DIEDRO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCCC#N)cc1 ZINC000362290913 336791090 /nfs/dbraw/zinc/79/10/90/336791090.db2.gz UHRKTAQNQFBLNL-MOPGFXCFSA-N 1 0 300.446 4.393 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccco1 ZINC000367538973 336824685 /nfs/dbraw/zinc/82/46/85/336824685.db2.gz VCCZVFBSSHCVKU-LJQANCHMSA-N 1 0 321.424 4.477 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)o1 ZINC000368143058 336839425 /nfs/dbraw/zinc/83/94/25/336839425.db2.gz PINRPVCOBKPXQT-UHFFFAOYSA-N 1 0 323.371 4.151 20 30 DIEDRO CCc1cc(OC)ccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418146552 336896891 /nfs/dbraw/zinc/89/68/91/336896891.db2.gz PXNCILABJWPLNJ-NRFANRHFSA-N 1 0 320.436 4.296 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000418136896 336897086 /nfs/dbraw/zinc/89/70/86/336897086.db2.gz BGBCDCUAGFRZNQ-IBGZPJMESA-N 1 0 319.383 4.346 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1ccc(C#N)cc1 ZINC000389952111 336927575 /nfs/dbraw/zinc/92/75/75/336927575.db2.gz XNDBLWJAUKZSFJ-DLBZAZTESA-N 1 0 308.425 4.204 20 30 DIEDRO COCCCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374667778 336994581 /nfs/dbraw/zinc/99/45/81/336994581.db2.gz ZEBGTLJZHNYSCX-INIZCTEOSA-N 1 0 308.425 4.302 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000376635413 337038747 /nfs/dbraw/zinc/03/87/47/337038747.db2.gz VXKWEQRUXOIBMJ-UHFFFAOYSA-N 1 0 318.486 4.363 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000377579217 337055523 /nfs/dbraw/zinc/05/55/23/337055523.db2.gz IJTBRELVRDYESM-CWFSZBLJSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Br)cs1 ZINC000193966593 337080889 /nfs/dbraw/zinc/08/08/89/337080889.db2.gz NHSABYKYLXJTGV-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO N#CC1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000582697576 337121689 /nfs/dbraw/zinc/12/16/89/337121689.db2.gz FVYWDFPOBDOIMQ-UHFFFAOYSA-N 1 0 318.464 4.324 20 30 DIEDRO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000174857445 337144906 /nfs/dbraw/zinc/14/49/06/337144906.db2.gz YVFDUZNQLZQMTB-SOLBZPMBSA-N 1 0 300.446 4.167 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000176747975 337151990 /nfs/dbraw/zinc/15/19/90/337151990.db2.gz ZBNDTECPVGPQSN-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)o1 ZINC000177823384 337157690 /nfs/dbraw/zinc/15/76/90/337157690.db2.gz WTZOLJOZPMMTFC-CQSZACIVSA-N 1 0 300.427 4.044 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000177910828 337158843 /nfs/dbraw/zinc/15/88/43/337158843.db2.gz RIQXBQARUJAFLL-ZDUSSCGKSA-N 1 0 321.534 4.050 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000177908240 337158874 /nfs/dbraw/zinc/15/88/74/337158874.db2.gz WPHTWUSTYSQVNI-MRXNPFEDSA-N 1 0 322.905 4.117 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccccc1 ZINC000178760041 337164872 /nfs/dbraw/zinc/16/48/72/337164872.db2.gz ODZLDCSZMHUUPR-IBGZPJMESA-N 1 0 305.425 4.440 20 30 DIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCO2 ZINC000178642807 337165737 /nfs/dbraw/zinc/16/57/37/337165737.db2.gz PRMWMMRXHGCHFJ-KUHUBIRLSA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1cccc(C#N)c1 ZINC000179958310 337172843 /nfs/dbraw/zinc/17/28/43/337172843.db2.gz IMXVNYUSNKZURG-UGSOOPFHSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1cccc(C#N)c1 ZINC000179958325 337172895 /nfs/dbraw/zinc/17/28/95/337172895.db2.gz IMXVNYUSNKZURG-ACJLOTCBSA-N 1 0 310.372 4.262 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000180458256 337174709 /nfs/dbraw/zinc/17/47/09/337174709.db2.gz CHHLMEULYVPRHT-LBPRGKRZSA-N 1 0 319.499 4.083 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1cccc(C#N)c1 ZINC000181586982 337183113 /nfs/dbraw/zinc/18/31/13/337183113.db2.gz KFZHYLSCQZXVJU-KKSFZXQISA-N 1 0 313.404 4.393 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000582809046 337183979 /nfs/dbraw/zinc/18/39/79/337183979.db2.gz DMJQNWHYLMWKNT-LJQANCHMSA-N 1 0 312.388 4.289 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)ccc1C#N ZINC000583077174 337236295 /nfs/dbraw/zinc/23/62/95/337236295.db2.gz HFSGTFNSXYYJSF-GOSISDBHSA-N 1 0 306.409 4.079 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000185802278 337250466 /nfs/dbraw/zinc/25/04/66/337250466.db2.gz WAXULRVSLVJHEH-RVSPLBMKSA-N 1 0 320.383 4.337 20 30 DIEDRO C[C@@H]([NH2+]Cc1csc(Br)c1)c1cccc(C#N)c1 ZINC000397436287 337263558 /nfs/dbraw/zinc/26/35/58/337263558.db2.gz CPAWGHDKHNWQGA-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCC1 ZINC000190022551 337284918 /nfs/dbraw/zinc/28/49/18/337284918.db2.gz LWLBWJNNDAEFLF-UHFFFAOYSA-N 1 0 312.457 4.010 20 30 DIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000192039272 337302263 /nfs/dbraw/zinc/30/22/63/337302263.db2.gz CWYMMLSNPOVTIH-LBPRGKRZSA-N 1 0 317.433 4.218 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(F)ccc1F ZINC000192158770 337303419 /nfs/dbraw/zinc/30/34/19/337303419.db2.gz QDOMTRLBOKPLTN-KRWDZBQOSA-N 1 0 304.315 4.216 20 30 DIEDRO C[C@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)c1cccc(C#N)c1 ZINC000525952171 337307729 /nfs/dbraw/zinc/30/77/29/337307729.db2.gz IYSJZYZBFFPHBN-INIZCTEOSA-N 1 0 319.452 4.368 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000399259965 337314875 /nfs/dbraw/zinc/31/48/75/337314875.db2.gz BGERYDFIPCUCQQ-UHFFFAOYSA-N 1 0 313.264 4.026 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)Sc1ccccc1 ZINC000583722981 337318326 /nfs/dbraw/zinc/31/83/26/337318326.db2.gz WQSCGTUYMKIUKH-KUHUBIRLSA-N 1 0 308.450 4.316 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000583822224 337336622 /nfs/dbraw/zinc/33/66/22/337336622.db2.gz GALAEHOIWPDXOP-CQSZACIVSA-N 1 0 304.434 4.051 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)ccc1C#N ZINC000583901446 337384849 /nfs/dbraw/zinc/38/48/49/337384849.db2.gz CNKPUYPCWXASKP-RDTXWAMCSA-N 1 0 306.409 4.213 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903296 337396047 /nfs/dbraw/zinc/39/60/47/337396047.db2.gz CZFUPAPNCBDTNI-WBVHZDCISA-N 1 0 324.428 4.009 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2c3ccc(F)cc3O[C@H]2C)cc1 ZINC000564116018 337456665 /nfs/dbraw/zinc/45/66/65/337456665.db2.gz VZJVKWBMZOBNSO-DJJJIMSYSA-N 1 0 313.372 4.002 20 30 DIEDRO N#CC1(CCC[NH2+][C@H](CC(F)F)c2ccccc2)CCOCC1 ZINC000421001837 337518563 /nfs/dbraw/zinc/51/85/63/337518563.db2.gz XHRHOCUGTBXJBN-MRXNPFEDSA-N 1 0 322.399 4.073 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)C1CCC(C(F)(F)F)CC1 ZINC000421349796 337527923 /nfs/dbraw/zinc/52/79/23/337527923.db2.gz JLDSDJHSWVXTEJ-UNXYVOJBSA-N 1 0 316.392 4.467 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1nc2ccccc2n1C)c1ccccc1 ZINC000521479855 337562277 /nfs/dbraw/zinc/56/22/77/337562277.db2.gz JIGRFFDGOXVVCM-GOSISDBHSA-N 1 0 319.452 4.413 20 30 DIEDRO N#CCC1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000571850701 337579783 /nfs/dbraw/zinc/57/97/83/337579783.db2.gz GOTQFZPAZHGJQP-UHFFFAOYSA-N 1 0 315.417 4.075 20 30 DIEDRO C=C[C@H](CC(=O)Nc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000571902283 337581511 /nfs/dbraw/zinc/58/15/11/337581511.db2.gz NNPDJNMONHDMKO-MRXNPFEDSA-N 1 0 308.425 4.047 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000571934555 337582329 /nfs/dbraw/zinc/58/23/29/337582329.db2.gz QNMZWJWYTYYGJT-IRLDBZIGSA-N 1 0 318.464 4.370 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)Oc1cccc(F)c1 ZINC000572327815 337608795 /nfs/dbraw/zinc/60/87/95/337608795.db2.gz ZHXSVYLBUKRPRP-FXAWDEMLSA-N 1 0 324.399 4.132 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(SC)c(OC)c1)c1ccccc1 ZINC000270256419 337639559 /nfs/dbraw/zinc/63/95/59/337639559.db2.gz VHLPQXPKUIERHW-QGZVFWFLSA-N 1 0 311.450 4.271 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1ccccc1 ZINC000271499448 337644190 /nfs/dbraw/zinc/64/41/90/337644190.db2.gz LYBYBXDCGCAEJK-HNAYVOBHSA-N 1 0 309.409 4.119 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H]1CCCc2nc(CC)sc21)c1ccccc1 ZINC000271573599 337644967 /nfs/dbraw/zinc/64/49/67/337644967.db2.gz WAHVBVAASFOMSV-CVEARBPZSA-N 1 0 310.466 4.437 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271805127 337645499 /nfs/dbraw/zinc/64/54/99/337645499.db2.gz PVYDVPOWBXCDAZ-GJZGRUSLSA-N 1 0 324.380 4.019 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)C(C)C)c(F)c1 ZINC000421819045 337648554 /nfs/dbraw/zinc/64/85/54/337648554.db2.gz DUNMJCXKSYTHAW-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421837052 337652499 /nfs/dbraw/zinc/65/24/99/337652499.db2.gz RXLQXBGYGPKAMN-AWEZNQCLSA-N 1 0 324.871 4.040 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)C1CC1 ZINC000273425293 337652877 /nfs/dbraw/zinc/65/28/77/337652877.db2.gz KDSYIDVWEJROJQ-CEXWTWQISA-N 1 0 303.421 4.380 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1F)C(C)C ZINC000421848739 337654759 /nfs/dbraw/zinc/65/47/59/337654759.db2.gz AVOTYTIYEKUPQA-JVPBZIDWSA-N 1 0 321.436 4.102 20 30 DIEDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421879131 337658304 /nfs/dbraw/zinc/65/83/04/337658304.db2.gz MURISGFPEPCBDO-JTQLQIEISA-N 1 0 306.818 4.133 20 30 DIEDRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421896857 337659584 /nfs/dbraw/zinc/65/95/84/337659584.db2.gz ZXGRVSIXICELTO-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO C=CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000275186233 337661672 /nfs/dbraw/zinc/66/16/72/337661672.db2.gz XRDABMOGSKBWHH-LJQANCHMSA-N 1 0 308.425 4.047 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276787936 337665610 /nfs/dbraw/zinc/66/56/10/337665610.db2.gz RZWAXDWAMKNMHW-UONOGXRCSA-N 1 0 315.417 4.141 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000536856239 337746292 /nfs/dbraw/zinc/74/62/92/337746292.db2.gz FGLCQNYYRWASAI-STQMWFEESA-N 1 0 303.837 4.449 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)CC2 ZINC000527962520 337780508 /nfs/dbraw/zinc/78/05/08/337780508.db2.gz FYHOFPTWDVMDAF-ICSRJNTNSA-N 1 0 303.409 4.072 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1ccc(C#N)cc1 ZINC000527974589 337781674 /nfs/dbraw/zinc/78/16/74/337781674.db2.gz SLVLTYHIYWNNOZ-IFXJQAMLSA-N 1 0 324.424 4.377 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000424190884 337804118 /nfs/dbraw/zinc/80/41/18/337804118.db2.gz GSKYFIOFSQVBJD-MOPGFXCFSA-N 1 0 306.409 4.047 20 30 DIEDRO CCCCCOc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OC ZINC000424195629 337805992 /nfs/dbraw/zinc/80/59/92/337805992.db2.gz MKHRMDDTJMPRMO-DOTOQJQBSA-N 1 0 316.445 4.046 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1ccnc2ccccc12)c1ccccc1 ZINC000533038102 337807449 /nfs/dbraw/zinc/80/74/49/337807449.db2.gz XWDMSZZIYBYILL-IBGZPJMESA-N 1 0 301.393 4.369 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000424293408 337816500 /nfs/dbraw/zinc/81/65/00/337816500.db2.gz IPUHXPPRHNLWRC-VQISRLSMSA-N 1 0 312.240 4.161 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000424293781 337816725 /nfs/dbraw/zinc/81/67/25/337816725.db2.gz JHJVNPSGEJJRTK-DHXZDTOLSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000424296725 337816998 /nfs/dbraw/zinc/81/69/98/337816998.db2.gz PHVBRFNUDQVQES-YSIASYRMSA-N 1 0 311.400 4.096 20 30 DIEDRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424326534 337821288 /nfs/dbraw/zinc/82/12/88/337821288.db2.gz MCRXXQOMZSAPFK-JGGQBBKZSA-N 1 0 304.821 4.144 20 30 DIEDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](CCCC#N)c3ccccc3)C[C@H]2C1 ZINC000424342788 337823427 /nfs/dbraw/zinc/82/34/27/337823427.db2.gz DMMRWJMLBNLGLY-YHDCXSKOSA-N 1 0 312.457 4.215 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c(F)c1 ZINC000107899249 337832810 /nfs/dbraw/zinc/83/28/10/337832810.db2.gz YUGUPENVXNTQCC-UHFFFAOYSA-N 1 0 312.363 4.396 20 30 DIEDRO N#Cc1ccc(CNc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000533219327 337835636 /nfs/dbraw/zinc/83/56/36/337835636.db2.gz NYUVXXMUUFLUFY-UHFFFAOYSA-N 1 0 319.452 4.199 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000533309300 337840576 /nfs/dbraw/zinc/84/05/76/337840576.db2.gz DVGILCOYIDNYGC-VQTJNVASSA-N 1 0 324.399 4.016 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000119883955 337867326 /nfs/dbraw/zinc/86/73/26/337867326.db2.gz YDUZVZQXTLZBRR-CYBMUJFWSA-N 1 0 303.352 4.380 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(NC(=O)CCC)cc1)C1CC1 ZINC000120212881 337871537 /nfs/dbraw/zinc/87/15/37/337871537.db2.gz TWGUGXWIUJBEKQ-SFHVURJKSA-N 1 0 300.446 4.260 20 30 DIEDRO C=CC1CC[NH+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000120687672 337879361 /nfs/dbraw/zinc/87/93/61/337879361.db2.gz LBEAZLCZRKECMB-OAHLLOKOSA-N 1 0 311.429 4.312 20 30 DIEDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665709 337884000 /nfs/dbraw/zinc/88/40/00/337884000.db2.gz YMLQWLKJCABYBN-JXFKEZNVSA-N 1 0 308.425 4.261 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1 ZINC000537061302 337885556 /nfs/dbraw/zinc/88/55/56/337885556.db2.gz IZRPHMMENORSKE-MRXNPFEDSA-N 1 0 311.400 4.315 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000537095290 337889526 /nfs/dbraw/zinc/88/95/26/337889526.db2.gz RWTPFUMNWMQYMX-XJKSGUPXSA-N 1 0 315.379 4.177 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000121324911 337891846 /nfs/dbraw/zinc/89/18/46/337891846.db2.gz IGEZYTSBEKYPOM-IBGZPJMESA-N 1 0 308.425 4.444 20 30 DIEDRO CC1([NH2+]Cc2cccc(OCCCC#N)c2)Cc2ccccc2C1 ZINC000092853891 337909848 /nfs/dbraw/zinc/90/98/48/337909848.db2.gz WKJQOARRADELBH-UHFFFAOYSA-N 1 0 320.436 4.016 20 30 DIEDRO CC(C)OCc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000537295492 337929060 /nfs/dbraw/zinc/92/90/60/337929060.db2.gz IUMDQZLWJVOXNK-INIZCTEOSA-N 1 0 308.425 4.334 20 30 DIEDRO C[C@@H]([NH2+]CCSc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537400879 337935467 /nfs/dbraw/zinc/93/54/67/337935467.db2.gz LPYFJZFUWKIETM-CYBMUJFWSA-N 1 0 300.402 4.140 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000514784357 337970816 /nfs/dbraw/zinc/97/08/16/337970816.db2.gz IAZVCENYFVATPV-SLEUVZQESA-N 1 0 322.239 4.130 20 30 DIEDRO CC1(c2cccc(Cl)c2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000515155494 337981101 /nfs/dbraw/zinc/98/11/01/337981101.db2.gz ILPYRLNDQFHSEP-RHSMWYFYSA-N 1 0 302.849 4.386 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@H](F)C2)CC1 ZINC000516181647 338006087 /nfs/dbraw/zinc/00/60/87/338006087.db2.gz OVCBPCUXCXGBND-BKVYNOPKSA-N 1 0 300.421 4.261 20 30 DIEDRO C=CCOCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000516163040 338006869 /nfs/dbraw/zinc/00/68/69/338006869.db2.gz RCGSGICSCGHEQX-IBGZPJMESA-N 1 0 317.379 4.041 20 30 DIEDRO C=C(C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1)c1ccccc1 ZINC000426163746 338021839 /nfs/dbraw/zinc/02/18/39/338021839.db2.gz WLHRMVDMSPRBAJ-MRXNPFEDSA-N 1 0 311.425 4.025 20 30 DIEDRO C=C(C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1)c1ccccc1 ZINC000426163745 338021862 /nfs/dbraw/zinc/02/18/62/338021862.db2.gz WLHRMVDMSPRBAJ-INIZCTEOSA-N 1 0 311.425 4.025 20 30 DIEDRO C=CC[N@@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000428388668 338049422 /nfs/dbraw/zinc/04/94/22/338049422.db2.gz XDHDGOPPWYXBML-UHFFFAOYSA-N 1 0 323.259 4.190 20 30 DIEDRO CC[NH+]1CCC(Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000428401812 338050452 /nfs/dbraw/zinc/05/04/52/338050452.db2.gz GZGANAIIIZKBDV-UHFFFAOYSA-N 1 0 321.424 4.247 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429142210 338071711 /nfs/dbraw/zinc/07/17/11/338071711.db2.gz NIWZBTPJFVVPEJ-HNNXBMFYSA-N 1 0 308.878 4.446 20 30 DIEDRO C[C@@H]([NH2+]Cc1sccc1Br)c1cccc(C#N)c1 ZINC000148114133 338078453 /nfs/dbraw/zinc/07/84/53/338078453.db2.gz WRIJJEKNDGGNIY-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Oc1ccc(Cl)cc1 ZINC000429428986 338080622 /nfs/dbraw/zinc/08/06/22/338080622.db2.gz VKUUDBUCMPWUDM-KBPBESRZSA-N 1 0 314.816 4.330 20 30 DIEDRO C=C(C)C[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429777880 338089599 /nfs/dbraw/zinc/08/95/99/338089599.db2.gz XJOLIIHMZKFGFM-IAGOWNOFSA-N 1 0 310.844 4.169 20 30 DIEDRO C=C(C)C[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429777882 338089690 /nfs/dbraw/zinc/08/96/90/338089690.db2.gz XJOLIIHMZKFGFM-SJORKVTESA-N 1 0 310.844 4.169 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000429783211 338089763 /nfs/dbraw/zinc/08/97/63/338089763.db2.gz IAQSBWZDNLHHDI-LSDHHAIUSA-N 1 0 318.486 4.072 20 30 DIEDRO COc1ccccc1-c1ccc(C[NH2+]CC2(CC#N)CC2)cc1 ZINC000430079227 338094987 /nfs/dbraw/zinc/09/49/87/338094987.db2.gz UYDIFKHIDGEXKC-UHFFFAOYSA-N 1 0 306.409 4.146 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000430077744 338095005 /nfs/dbraw/zinc/09/50/05/338095005.db2.gz PSHHHUMJQOWTCA-UHFFFAOYSA-N 1 0 300.402 4.338 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)o1 ZINC000430194992 338100798 /nfs/dbraw/zinc/10/07/98/338100798.db2.gz LZODWTLBDYFOEW-MRXNPFEDSA-N 1 0 318.829 4.171 20 30 DIEDRO Cc1c([C@@H](C)[NH2+]CC2(CC#N)CC2)cnn1-c1cc(C)ccc1C ZINC000430717545 338112288 /nfs/dbraw/zinc/11/22/88/338112288.db2.gz AMMIGFZMJCLMDN-MRXNPFEDSA-N 1 0 322.456 4.142 20 30 DIEDRO COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC2(CC#N)CC2)cc1F ZINC000430722419 338112362 /nfs/dbraw/zinc/11/23/62/338112362.db2.gz GIBSVRXXXUXSHY-NVXWUHKLSA-N 1 0 316.420 4.144 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cc(Cl)ccc1OC(F)F ZINC000430736913 338112808 /nfs/dbraw/zinc/11/28/08/338112808.db2.gz VVBITYBWIQRWMT-SNVBAGLBSA-N 1 0 314.763 4.286 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CC3(CCC3)C[C@H]2C)cc1OC ZINC000432800706 338168540 /nfs/dbraw/zinc/16/85/40/338168540.db2.gz PSCZPYYVBHJUAM-OAHLLOKOSA-N 1 0 301.430 4.025 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCOc1ccccc1F)c1ccccc1 ZINC000433013426 338176386 /nfs/dbraw/zinc/17/63/86/338176386.db2.gz NXCZFWVZJFJPGK-SFHVURJKSA-N 1 0 312.388 4.229 20 30 DIEDRO Cc1nc2ccccn2c1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433022969 338176722 /nfs/dbraw/zinc/17/67/22/338176722.db2.gz YQPNXHQRHLVRSW-SFHVURJKSA-N 1 0 318.424 4.168 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433308301 338190934 /nfs/dbraw/zinc/19/09/34/338190934.db2.gz XTJQXKASSPACEW-GOSISDBHSA-N 1 0 310.828 4.396 20 30 DIEDRO COc1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)cc1C#N ZINC000434492113 338218303 /nfs/dbraw/zinc/21/83/03/338218303.db2.gz FSNUZVRSJOLIQP-UHFFFAOYSA-N 1 0 324.399 4.028 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000435725152 338246275 /nfs/dbraw/zinc/24/62/75/338246275.db2.gz FJPWZYRVICRDLP-DOMZBBRYSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000435731462 338246703 /nfs/dbraw/zinc/24/67/03/338246703.db2.gz LSMVBNIBWKQIHG-SWLSCSKDSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000435736209 338246970 /nfs/dbraw/zinc/24/69/70/338246970.db2.gz UZDBRSHHSLBQLD-XLIONFOSSA-N 1 0 315.457 4.079 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000435739330 338247187 /nfs/dbraw/zinc/24/71/87/338247187.db2.gz WYTMPCGGYOIAAK-ABAIWWIYSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1csc(Cl)c1Cl ZINC000435745101 338247539 /nfs/dbraw/zinc/24/75/39/338247539.db2.gz JLQHFPWRQSJQEO-SKDRFNHKSA-N 1 0 306.258 4.126 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000435746054 338247763 /nfs/dbraw/zinc/24/77/63/338247763.db2.gz SRSKXIYJUBHQQM-SWLSCSKDSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000436192412 338261374 /nfs/dbraw/zinc/26/13/74/338261374.db2.gz UBFYBQGRFXGVQM-HNNXBMFYSA-N 1 0 323.440 4.427 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c(F)c1 ZINC000436229387 338262589 /nfs/dbraw/zinc/26/25/89/338262589.db2.gz DXBJLJZHYSGDNN-APWZRJJASA-N 1 0 308.400 4.198 20 30 DIEDRO C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000436283224 338265798 /nfs/dbraw/zinc/26/57/98/338265798.db2.gz LEFRERIHFLYPOS-UZLBHIALSA-N 1 0 311.473 4.006 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436289203 338266423 /nfs/dbraw/zinc/26/64/23/338266423.db2.gz HMPNFENLFVKDCY-UHFFFAOYSA-N 1 0 307.743 4.041 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000436289790 338266482 /nfs/dbraw/zinc/26/64/82/338266482.db2.gz HHCOQNNEEDRETL-ZCNNSNEGSA-N 1 0 301.474 4.133 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CSc1ccccc1)C(C)C ZINC000436291906 338266636 /nfs/dbraw/zinc/26/66/36/338266636.db2.gz KTSBBXUIURYUHY-NEWSRXKRSA-N 1 0 319.514 4.374 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436292860 338266660 /nfs/dbraw/zinc/26/66/60/338266660.db2.gz MBMAVHZLIUKBAT-GOSISDBHSA-N 1 0 307.372 4.442 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000436304273 338267730 /nfs/dbraw/zinc/26/77/30/338267730.db2.gz DDWPJEDUOMWOQW-BJJXKVORSA-N 1 0 313.363 4.337 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000436303502 338267751 /nfs/dbraw/zinc/26/77/51/338267751.db2.gz CQLNAKDKDZKPEK-VHSSKADRSA-N 1 0 309.400 4.233 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000436302916 338267817 /nfs/dbraw/zinc/26/78/17/338267817.db2.gz ASFLVVITIPNTRK-RYKRPPSOSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000436304718 338267868 /nfs/dbraw/zinc/26/78/68/338267868.db2.gz DYSKEOGSPYTPQE-YEWWUXTCSA-N 1 0 305.487 4.259 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000436304716 338267902 /nfs/dbraw/zinc/26/79/02/338267902.db2.gz DYSKEOGSPYTPQE-XUWXXGDYSA-N 1 0 305.487 4.259 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000436305813 338267982 /nfs/dbraw/zinc/26/79/82/338267982.db2.gz GSIKVEXCXYXSSA-ZENOOKHLSA-N 1 0 313.894 4.293 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000436305969 338268001 /nfs/dbraw/zinc/26/80/01/338268001.db2.gz INOAVGCQSLGRCP-BVBHFADKSA-N 1 0 303.421 4.033 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000436305810 338268026 /nfs/dbraw/zinc/26/80/26/338268026.db2.gz GSIKVEXCXYXSSA-IOASZLSFSA-N 1 0 313.894 4.293 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000436306719 338268193 /nfs/dbraw/zinc/26/81/93/338268193.db2.gz JAWMYLNXIQUNQK-QRQLOZEOSA-N 1 0 303.446 4.107 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000436312098 338268542 /nfs/dbraw/zinc/26/85/42/338268542.db2.gz JODYVVLNAWIRGB-IEZWGBDMSA-N 1 0 317.498 4.411 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000436311624 338268569 /nfs/dbraw/zinc/26/85/69/338268569.db2.gz SRDVPNOEFLPFDQ-CZAAIQMYSA-N 1 0 322.452 4.380 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000436312822 338268579 /nfs/dbraw/zinc/26/85/79/338268579.db2.gz VDAYGRFWEZIKRS-AYBZRNKSSA-N 1 0 313.441 4.004 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000436313415 338268621 /nfs/dbraw/zinc/26/86/21/338268621.db2.gz WTQUSNHTYOVDEI-QRFRQXIXSA-N 1 0 315.457 4.088 20 30 DIEDRO Cn1cc(CC[NH2+]Cc2cccc(C#N)c2)c2ccc(Cl)cc21 ZINC000436413777 338271695 /nfs/dbraw/zinc/27/16/95/338271695.db2.gz UUJDAEKPPUEHTO-UHFFFAOYSA-N 1 0 323.827 4.036 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000437095919 338300647 /nfs/dbraw/zinc/30/06/47/338300647.db2.gz XYJHRTOOVKGHLI-IINYFYTJSA-N 1 0 302.315 4.325 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000437244615 338304622 /nfs/dbraw/zinc/30/46/22/338304622.db2.gz HCUCHAGTNWQZKT-ZCNNSNEGSA-N 1 0 301.474 4.387 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(C)(C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000438992456 338357974 /nfs/dbraw/zinc/35/79/74/338357974.db2.gz RKZWTCQSMCZBTA-QGZVFWFLSA-N 1 0 317.473 4.316 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000439077686 338360405 /nfs/dbraw/zinc/36/04/05/338360405.db2.gz LYEZSQFDZYBXLH-QZTJIDSGSA-N 1 0 302.462 4.141 20 30 DIEDRO CCOc1ccccc1CN(C)Cc1ccc(C#N)cc1Cl ZINC000439439277 338369417 /nfs/dbraw/zinc/36/94/17/338369417.db2.gz FTQOKJUFHOFPHR-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000439437371 338369547 /nfs/dbraw/zinc/36/95/47/338369547.db2.gz JWVCIHSWQACZOU-JKSUJKDBSA-N 1 0 306.862 4.072 20 30 DIEDRO COc1cc(C[NH2+][C@H]2c3ccccc3CCC[C@@H]2C)ccc1C#N ZINC000440633447 338393371 /nfs/dbraw/zinc/39/33/71/338393371.db2.gz DZAFEVKIDWSWIT-YCRPNKLZSA-N 1 0 320.436 4.370 20 30 DIEDRO CC[NH+](CC)Cc1cccc(NCc2ccc(C#N)c(OC)c2)c1 ZINC000440800246 338397809 /nfs/dbraw/zinc/39/78/09/338397809.db2.gz MKDLYELCNYEVMM-UHFFFAOYSA-N 1 0 323.440 4.021 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]CC#Cc1ccccc1Cl)C(C)C ZINC000441268445 338407151 /nfs/dbraw/zinc/40/71/51/338407151.db2.gz KZPBEKXBQCMCHZ-SFHVURJKSA-N 1 0 312.844 4.382 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)ccc1C#N ZINC000441342787 338409488 /nfs/dbraw/zinc/40/94/88/338409488.db2.gz ULDPLGXURBACRD-VQIMIIECSA-N 1 0 324.399 4.132 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1Cl ZINC000441367035 338410706 /nfs/dbraw/zinc/41/07/06/338410706.db2.gz GKBLQZCPRGUTEA-UHFFFAOYSA-N 1 0 318.848 4.324 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442783682 338430949 /nfs/dbraw/zinc/43/09/49/338430949.db2.gz NSEMSDYUXNDLHW-WFASDCNBSA-N 1 0 310.363 4.265 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1Br ZINC000442830104 338433787 /nfs/dbraw/zinc/43/37/87/338433787.db2.gz RGHXZKLFZAZQOX-STQMWFEESA-N 1 0 321.262 4.009 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000442861272 338435630 /nfs/dbraw/zinc/43/56/30/338435630.db2.gz TVSWAIDJEZMIPQ-YUDUHTQSSA-N 1 0 308.347 4.233 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)cc1 ZINC000442870265 338436785 /nfs/dbraw/zinc/43/67/85/338436785.db2.gz UWJPAEIGSRFANQ-APWZRJJASA-N 1 0 306.409 4.144 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000442873177 338437060 /nfs/dbraw/zinc/43/70/60/338437060.db2.gz QPNSLOVHLYWBPV-SEEARECTSA-N 1 0 304.434 4.282 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC(=O)Nc1ccc(C)cn1)c1ccccc1 ZINC000447310428 338549033 /nfs/dbraw/zinc/54/90/33/338549033.db2.gz XQLAKRCLHVLPGR-GOSISDBHSA-N 1 0 323.440 4.016 20 30 DIEDRO CC[C@@H]([NH2+]CCCOC1CCCCC1)c1ccc(C#N)cc1 ZINC000447511025 338553192 /nfs/dbraw/zinc/55/31/92/338553192.db2.gz RUIVDDGTYTXVHO-LJQANCHMSA-N 1 0 300.446 4.338 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccc(C#N)cc1 ZINC000447525723 338553951 /nfs/dbraw/zinc/55/39/51/338553951.db2.gz BDYSLBIHMMJGFW-QAPCUYQASA-N 1 0 324.424 4.075 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)cc1OC ZINC000447526988 338554066 /nfs/dbraw/zinc/55/40/66/338554066.db2.gz CUQMXDAJJREXHV-SFHVURJKSA-N 1 0 324.424 4.206 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(C#N)cc1 ZINC000447535251 338555092 /nfs/dbraw/zinc/55/50/92/338555092.db2.gz DTCZJIHNFUWQCA-HKUYNNGSSA-N 1 0 306.409 4.165 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)c1ccc(C#N)cc1 ZINC000447578816 338558529 /nfs/dbraw/zinc/55/85/29/338558529.db2.gz HNXURXYIHJZNMX-UXHICEINSA-N 1 0 307.441 4.434 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](COC)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447587492 338559677 /nfs/dbraw/zinc/55/96/77/338559677.db2.gz RHTXYNQVVSHLFO-MOPGFXCFSA-N 1 0 312.388 4.126 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCOc2ccc3ccccc3c2)CC1 ZINC000449072440 338590791 /nfs/dbraw/zinc/59/07/91/338590791.db2.gz KHSVJSXEGZWJKY-UHFFFAOYSA-N 1 0 308.425 4.281 20 30 DIEDRO CCN(CC)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccsc1 ZINC000449077530 338591295 /nfs/dbraw/zinc/59/12/95/338591295.db2.gz JXVBHSFSVJTCBE-LXPRWKDFSA-N 1 0 319.518 4.193 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449105858 338593858 /nfs/dbraw/zinc/59/38/58/338593858.db2.gz JMZJYCUPAPFOLS-DMKPSLHHSA-N 1 0 300.446 4.078 20 30 DIEDRO CC(C)COc1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449139234 338596349 /nfs/dbraw/zinc/59/63/49/338596349.db2.gz ACENGUBJXJXJAV-UHFFFAOYSA-N 1 0 314.473 4.326 20 30 DIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449183636 338600191 /nfs/dbraw/zinc/60/01/91/338600191.db2.gz DSNNIWCTTOXWBO-IJNIYJAUSA-N 1 0 322.456 4.304 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449184260 338600298 /nfs/dbraw/zinc/60/02/98/338600298.db2.gz MJVPEAIVXXXPII-FUFFSDJGSA-N 1 0 312.457 4.277 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(N2CCCC2)c1 ZINC000449187137 338600438 /nfs/dbraw/zinc/60/04/38/338600438.db2.gz KPXHGGOQLGQEIF-VQSBYGRUSA-N 1 0 311.473 4.410 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000449234659 338604992 /nfs/dbraw/zinc/60/49/92/338604992.db2.gz CLKXFTRFAVJABR-YBXZHIRMSA-N 1 0 316.420 4.108 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000449250661 338606881 /nfs/dbraw/zinc/60/68/81/338606881.db2.gz MDEYNJLOKOBBLY-UHFFFAOYSA-N 1 0 300.421 4.210 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449254141 338607120 /nfs/dbraw/zinc/60/71/20/338607120.db2.gz WXWKHEWVIGBYQD-ZRZPHAQCSA-N 1 0 312.457 4.177 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(F)c1Br ZINC000449333437 338614087 /nfs/dbraw/zinc/61/40/87/338614087.db2.gz VCKSMMPEXMQWKE-UHFFFAOYSA-N 1 0 313.214 4.008 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000449348431 338615845 /nfs/dbraw/zinc/61/58/45/338615845.db2.gz GHJQNKGRPRDINK-VXVMZULRSA-N 1 0 304.384 4.404 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000449445246 338624780 /nfs/dbraw/zinc/62/47/80/338624780.db2.gz GZVMNNQNFHBAJH-WWGRRREGSA-N 1 0 310.363 4.481 20 30 DIEDRO C=C(C)CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000449471332 338627926 /nfs/dbraw/zinc/62/79/26/338627926.db2.gz CCPPESJPBYIUQU-UHFFFAOYSA-N 1 0 309.335 4.151 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)cc1F ZINC000449733862 338648890 /nfs/dbraw/zinc/64/88/90/338648890.db2.gz KPGIMHOXYGZLBX-UHFFFAOYSA-N 1 0 324.399 4.309 20 30 DIEDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449735517 338648959 /nfs/dbraw/zinc/64/89/59/338648959.db2.gz HHQREEMFGRBDEC-UHFFFAOYSA-N 1 0 312.388 4.022 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C)c2)cc1OC ZINC000449775646 338651914 /nfs/dbraw/zinc/65/19/14/338651914.db2.gz MZPZGZNKPUYSQX-INIZCTEOSA-N 1 0 311.425 4.419 20 30 DIEDRO C[C@@H](c1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1)C(F)(F)F ZINC000450969045 338715011 /nfs/dbraw/zinc/71/50/11/338715011.db2.gz AQWPPHMPWUIVNT-LBPRGKRZSA-N 1 0 314.326 4.180 20 30 DIEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000451060845 338720064 /nfs/dbraw/zinc/72/00/64/338720064.db2.gz GYXWGAHNOCWACW-UIFIKXQLSA-N 1 0 322.452 4.176 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452056961 338752214 /nfs/dbraw/zinc/75/22/14/338752214.db2.gz FUCZKEISJXFYGB-INIZCTEOSA-N 1 0 320.502 4.261 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000453181200 338803629 /nfs/dbraw/zinc/80/36/29/338803629.db2.gz WEEKCHIIYJMQQF-YLJYHZDGSA-N 1 0 307.441 4.427 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000453181198 338803649 /nfs/dbraw/zinc/80/36/49/338803649.db2.gz WEEKCHIIYJMQQF-XLIONFOSSA-N 1 0 307.441 4.427 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCC1CCOCC1 ZINC000453230775 338811329 /nfs/dbraw/zinc/81/13/29/338811329.db2.gz HTZSOWUMHYVFJN-FQEVSTJZSA-N 1 0 312.457 4.122 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000453347085 338828891 /nfs/dbraw/zinc/82/88/91/338828891.db2.gz HIEQBHSXVMSAKQ-MAZHCROVSA-N 1 0 309.837 4.121 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000453371437 338833439 /nfs/dbraw/zinc/83/34/39/338833439.db2.gz UOAXXCZCGCDYJF-YSGRDPCXSA-N 1 0 323.436 4.356 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000453371434 338833461 /nfs/dbraw/zinc/83/34/61/338833461.db2.gz UOAXXCZCGCDYJF-BEVDRBHNSA-N 1 0 323.436 4.356 20 30 DIEDRO C=CCC1(C[NH2+][C@H](c2ccccc2)c2cncnc2)CCCC1 ZINC000453377204 338834520 /nfs/dbraw/zinc/83/45/20/338834520.db2.gz PVDXHUDIMQNOKC-LJQANCHMSA-N 1 0 307.441 4.292 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)C2)c1 ZINC000453384250 338835901 /nfs/dbraw/zinc/83/59/01/338835901.db2.gz UMIDELCMEANAPN-KKXDTOCCSA-N 1 0 324.399 4.303 20 30 DIEDRO CC1(C)C[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000453420413 338840973 /nfs/dbraw/zinc/84/09/73/338840973.db2.gz LNYHCROHHQHWEH-QFBILLFUSA-N 1 0 312.457 4.121 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCC2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000453576665 338848766 /nfs/dbraw/zinc/84/87/66/338848766.db2.gz GJOYAGLHULOARE-UHFFFAOYSA-N 1 0 318.289 4.102 20 30 DIEDRO C=CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458256162 338993558 /nfs/dbraw/zinc/99/35/58/338993558.db2.gz CARFVGUCFHBWOJ-HXUWFJFHSA-N 1 0 322.452 4.355 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000467406079 339013708 /nfs/dbraw/zinc/01/37/08/339013708.db2.gz RXTIAKIAZNFGEW-CZUORRHYSA-N 1 0 301.409 4.325 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c(OCC)c1 ZINC000459300380 339020086 /nfs/dbraw/zinc/02/00/86/339020086.db2.gz JYLAGSOLDYQJNT-UHFFFAOYSA-N 1 0 324.424 4.075 20 30 DIEDRO COc1ccc(-c2ccccc2C)cc1C[NH+]1CCC(C#N)CC1 ZINC000459327128 339021999 /nfs/dbraw/zinc/02/19/99/339021999.db2.gz OQOQTZHEGRXKQR-UHFFFAOYSA-N 1 0 320.436 4.406 20 30 DIEDRO COc1ccc(-c2ccccc2C)cc1C[NH2+]CCCCC#N ZINC000459404740 339027457 /nfs/dbraw/zinc/02/74/57/339027457.db2.gz JHFWUVMKEPNZBT-UHFFFAOYSA-N 1 0 308.425 4.454 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459503182 339032837 /nfs/dbraw/zinc/03/28/37/339032837.db2.gz GCIMXJNPZORLLT-UHFFFAOYSA-N 1 0 310.445 4.068 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000459638881 339039687 /nfs/dbraw/zinc/03/96/87/339039687.db2.gz NSRNHJWGAXWBCC-AWEZNQCLSA-N 1 0 313.832 4.108 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000459697777 339043416 /nfs/dbraw/zinc/04/34/16/339043416.db2.gz QEXKICRMVXMQJM-UHFFFAOYSA-N 1 0 318.424 4.055 20 30 DIEDRO CCOc1cc(C[NH2+]CC(C)(C)CC#N)ccc1OCC(C)C ZINC000459700677 339043540 /nfs/dbraw/zinc/04/35/40/339043540.db2.gz SWJBIQJGZWVPMU-UHFFFAOYSA-N 1 0 318.461 4.150 20 30 DIEDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC(C)(C)CC#N ZINC000459725578 339044552 /nfs/dbraw/zinc/04/45/52/339044552.db2.gz DATIPHHAVZOWAV-RAXLEYEMSA-N 1 0 308.372 4.221 20 30 DIEDRO Cc1cc(F)ccc1-c1ccc(C[NH2+]CC(C)(C)CC#N)o1 ZINC000459729799 339044816 /nfs/dbraw/zinc/04/48/16/339044816.db2.gz KUIXPHXJAHZEIY-UHFFFAOYSA-N 1 0 300.377 4.424 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000459730463 339044914 /nfs/dbraw/zinc/04/49/14/339044914.db2.gz MPBKHZYKQYKHIK-UHFFFAOYSA-N 1 0 304.340 4.254 20 30 DIEDRO Cc1cc(C[NH2+]CC(C)(C)CC#N)ccc1Oc1cccnc1 ZINC000459732725 339044964 /nfs/dbraw/zinc/04/49/64/339044964.db2.gz PEYZIBMHQITTEO-UHFFFAOYSA-N 1 0 309.413 4.212 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000165293466 339052819 /nfs/dbraw/zinc/05/28/19/339052819.db2.gz QUTKAJMVZSNGBN-NSHDSACASA-N 1 0 300.265 4.019 20 30 DIEDRO N#Cc1ccc(OCC[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000462762325 339087431 /nfs/dbraw/zinc/08/74/31/339087431.db2.gz CBUWOVXKGABMSX-UHFFFAOYSA-N 1 0 321.207 4.034 20 30 DIEDRO C[NH+](C)[C@@H](CNc1c(Cl)cccc1C#N)c1ccc(F)cc1 ZINC000462777806 339088071 /nfs/dbraw/zinc/08/80/71/339088071.db2.gz NGOZDDPVISEETC-INIZCTEOSA-N 1 0 317.795 4.066 20 30 DIEDRO Cc1ccc([C@H](CNc2ccc(F)cc2C#N)[NH+]2CCCC2)cc1 ZINC000462800927 339089693 /nfs/dbraw/zinc/08/96/93/339089693.db2.gz GZYZRSXPXRVOTC-FQEVSTJZSA-N 1 0 323.415 4.255 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000462810461 339090785 /nfs/dbraw/zinc/09/07/85/339090785.db2.gz CMQJQUTYGTUWBQ-GOSISDBHSA-N 1 0 309.409 4.124 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)ccc1C#N ZINC000463037974 339102244 /nfs/dbraw/zinc/10/22/44/339102244.db2.gz VZJGGLOFCWDEQR-CVEARBPZSA-N 1 0 310.363 4.420 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c(OC(C)(C)C)c1 ZINC000463233377 339110755 /nfs/dbraw/zinc/11/07/55/339110755.db2.gz NHNJTPPUYVSHSP-DOTOQJQBSA-N 1 0 300.446 4.344 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463237254 339111016 /nfs/dbraw/zinc/11/10/16/339111016.db2.gz USSQMPDKTMGPMP-FTEYMNFISA-N 1 0 312.457 4.357 20 30 DIEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000463238845 339111104 /nfs/dbraw/zinc/11/11/04/339111104.db2.gz TZYUTWUABYBTFS-QGZVKYPTSA-N 1 0 312.457 4.357 20 30 DIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463239619 339111267 /nfs/dbraw/zinc/11/12/67/339111267.db2.gz YGQLRRVNTDQMHW-JZXOWHBKSA-N 1 0 300.446 4.454 20 30 DIEDRO C=CC[C@H](CC)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000463252673 339112248 /nfs/dbraw/zinc/11/22/48/339112248.db2.gz RZWGLPLKYXUWDA-INIZCTEOSA-N 1 0 306.881 4.249 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000463281114 339113179 /nfs/dbraw/zinc/11/31/79/339113179.db2.gz JZNRTELOPXLUBK-UXHICEINSA-N 1 0 320.436 4.438 20 30 DIEDRO CCCCOc1ccc(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463286085 339113388 /nfs/dbraw/zinc/11/33/88/339113388.db2.gz KTPPCWQWHIKAND-MSOLQXFVSA-N 1 0 300.446 4.080 20 30 DIEDRO CC(C)(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463284713 339113421 /nfs/dbraw/zinc/11/34/21/339113421.db2.gz QFPCEHKMOOJYHP-HZPDHXFCSA-N 1 0 300.446 4.035 20 30 DIEDRO CC(C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463295952 339113888 /nfs/dbraw/zinc/11/38/88/339113888.db2.gz QPHUJVNPRFVGFB-AEFFLSMTSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463441777 339117840 /nfs/dbraw/zinc/11/78/40/339117840.db2.gz SLHLMLHHZJNNPY-ICSRJNTNSA-N 1 0 301.474 4.048 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463443093 339117938 /nfs/dbraw/zinc/11/79/38/339117938.db2.gz WMDRFPXUWCPVPP-HXUWFJFHSA-N 1 0 301.474 4.050 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000466389317 339201988 /nfs/dbraw/zinc/20/19/88/339201988.db2.gz PZGSHOBRGQKNJQ-LBPRGKRZSA-N 1 0 311.351 4.036 20 30 DIEDRO Cc1cc(CNc2ccc(Cl)c(C[NH+](C)C)c2)ccc1C#N ZINC000466419365 339203660 /nfs/dbraw/zinc/20/36/60/339203660.db2.gz KKRPGPAJZCGBSQ-UHFFFAOYSA-N 1 0 313.832 4.194 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000466426011 339204407 /nfs/dbraw/zinc/20/44/07/339204407.db2.gz QNZVMBYGXPBDAW-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO CCC[N@H+](CCCSCC#N)[C@@H](C)c1ccccc1OC ZINC000466705022 339213486 /nfs/dbraw/zinc/21/34/86/339213486.db2.gz FZPSDOMFAIHUHV-HNNXBMFYSA-N 1 0 306.475 4.115 20 30 DIEDRO CCC[N@H+](CCCSCC#N)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000466709614 339213785 /nfs/dbraw/zinc/21/37/85/339213785.db2.gz FIDUCZUKCBWKJL-DLBZAZTESA-N 1 0 324.534 4.083 20 30 DIEDRO CCC[N@H+](CCCSCC#N)Cc1c(F)cccc1Cl ZINC000466713543 339213994 /nfs/dbraw/zinc/21/39/94/339213994.db2.gz OQXDGVHGHJYWPM-UHFFFAOYSA-N 1 0 314.857 4.338 20 30 DIEDRO N#CCSCCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000466724722 339214330 /nfs/dbraw/zinc/21/43/30/339214330.db2.gz KZUGCLOFDDWHTG-FQEVSTJZSA-N 1 0 322.477 4.281 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1nc2ccc(F)cc2o1 ZINC000466812381 339217670 /nfs/dbraw/zinc/21/76/70/339217670.db2.gz MBHNTVIYUAQVFR-UHFFFAOYSA-N 1 0 310.372 4.198 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000467291788 339230096 /nfs/dbraw/zinc/23/00/96/339230096.db2.gz YHMMKMGKSMHUTL-UHFFFAOYSA-N 1 0 320.177 4.058 20 30 DIEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000467300014 339230492 /nfs/dbraw/zinc/23/04/92/339230492.db2.gz ZFZODNCAYWEQLC-QGZVFWFLSA-N 1 0 322.452 4.112 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000467378327 339235383 /nfs/dbraw/zinc/23/53/83/339235383.db2.gz UTJQSZFBRKGDSK-UHFFFAOYSA-N 1 0 310.441 4.285 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000467414098 339237161 /nfs/dbraw/zinc/23/71/61/339237161.db2.gz QTIZWBYQIQBTJY-CVEARBPZSA-N 1 0 302.462 4.471 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000467415760 339237345 /nfs/dbraw/zinc/23/73/45/339237345.db2.gz COICRVCIRDMRCG-PBHICJAKSA-N 1 0 322.880 4.021 20 30 DIEDRO Cc1cc2c(cc1C)[C@@H]([NH2+]CCc1cccc(C#N)c1)CCCO2 ZINC000467436852 339238636 /nfs/dbraw/zinc/23/86/36/339238636.db2.gz QRPVJDWGVKWORF-FQEVSTJZSA-N 1 0 320.436 4.221 20 30 DIEDRO CCC[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000467454382 339239602 /nfs/dbraw/zinc/23/96/02/339239602.db2.gz PFHHYYDFCBLECK-HXUWFJFHSA-N 1 0 308.425 4.240 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000467459216 339239724 /nfs/dbraw/zinc/23/97/24/339239724.db2.gz RSBRNZFZFOFGFN-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2cccc(Cl)c2)CC1 ZINC000467854909 339247832 /nfs/dbraw/zinc/24/78/32/339247832.db2.gz WPWJBBCRLDNCAH-GOSISDBHSA-N 1 0 306.881 4.421 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(F)c(C#N)c1 ZINC000468269140 339258246 /nfs/dbraw/zinc/25/82/46/339258246.db2.gz CXTGUYKAAFZLHM-UHFFFAOYSA-N 1 0 308.809 4.434 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)c1ccc(F)cc1 ZINC000468271945 339258500 /nfs/dbraw/zinc/25/85/00/339258500.db2.gz HEUVWGMBPNGJED-CYBMUJFWSA-N 1 0 300.352 4.420 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)s1 ZINC000468282634 339258880 /nfs/dbraw/zinc/25/88/80/339258880.db2.gz UIFNHCOPDQEKDY-MRXNPFEDSA-N 1 0 300.402 4.404 20 30 DIEDRO C=CCCCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000468360843 339260568 /nfs/dbraw/zinc/26/05/68/339260568.db2.gz HUYSZVJXXAFEOU-UHFFFAOYSA-N 1 0 322.452 4.015 20 30 DIEDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@H](CC)CC#N)cc1 ZINC000468475659 339263660 /nfs/dbraw/zinc/26/36/60/339263660.db2.gz OAXJTIDKYMUDNG-VFQYTZJCSA-N 1 0 300.446 4.244 20 30 DIEDRO C[C@H](CC#N)[N@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000469059652 339278782 /nfs/dbraw/zinc/27/87/82/339278782.db2.gz SQEPOBYEXMJQJO-HSBHDXMMSA-N 1 0 307.235 4.086 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccccc1F ZINC000469136530 339281153 /nfs/dbraw/zinc/28/11/53/339281153.db2.gz UNFMWYAKZFEPBX-ICSRJNTNSA-N 1 0 308.400 4.140 20 30 DIEDRO C=CCOCCC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000470728257 339326370 /nfs/dbraw/zinc/32/63/70/339326370.db2.gz ZXXJPAZOLXBUJZ-QGZVFWFLSA-N 1 0 319.495 4.350 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000470773006 339327415 /nfs/dbraw/zinc/32/74/15/339327415.db2.gz MHGQVCUZIPGZKD-SFHVURJKSA-N 1 0 316.832 4.007 20 30 DIEDRO C=CCOCCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000470773005 339327417 /nfs/dbraw/zinc/32/74/17/339327417.db2.gz MHGQVCUZIPGZKD-GOSISDBHSA-N 1 0 316.832 4.007 20 30 DIEDRO C=CCOCCC[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000470778300 339327838 /nfs/dbraw/zinc/32/78/38/339327838.db2.gz GCHMNEUZQXCZDR-UHFFFAOYSA-N 1 0 322.452 4.306 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470922652 339331353 /nfs/dbraw/zinc/33/13/53/339331353.db2.gz ZHLMYCCQOMZWHF-KRWDZBQOSA-N 1 0 318.436 4.137 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](OC(C)C)c1ccccc1OC ZINC000471608497 339349319 /nfs/dbraw/zinc/34/93/19/339349319.db2.gz DAZMUPCPFJSMFV-BXWFABGCSA-N 1 0 305.462 4.352 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)CCCC(C)(C)C#N)C12CCCCC2 ZINC000472228103 339366620 /nfs/dbraw/zinc/36/66/20/339366620.db2.gz YNPSWQWXASKPIW-IRXDYDNUSA-N 1 0 306.494 4.376 20 30 DIEDRO CC1CCC([N@H+](CCCC(C)(C)C#N)C[C@@H]2CCCO2)CC1 ZINC000472229161 339366661 /nfs/dbraw/zinc/36/66/61/339366661.db2.gz ANWDJXPYDWOYNK-ABHNRTSZSA-N 1 0 306.494 4.376 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000472678569 339376162 /nfs/dbraw/zinc/37/61/62/339376162.db2.gz POGMOFXHPYKFGK-LBPRGKRZSA-N 1 0 302.245 4.145 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000472678565 339376187 /nfs/dbraw/zinc/37/61/87/339376187.db2.gz POGMOFXHPYKFGK-GFCCVEGCSA-N 1 0 302.245 4.145 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000472761812 339377092 /nfs/dbraw/zinc/37/70/92/339377092.db2.gz HUKLGWLBUYCNIP-DOMZBBRYSA-N 1 0 301.352 4.025 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc(C#N)c1 ZINC000474055076 339399473 /nfs/dbraw/zinc/39/94/73/339399473.db2.gz HTNCPGQHPHVTBT-LJQANCHMSA-N 1 0 306.409 4.079 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C)c1ccccc1 ZINC000474879012 339429493 /nfs/dbraw/zinc/42/94/93/339429493.db2.gz PQYQGVRSOGGLPJ-OWYHZJEWSA-N 1 0 315.457 4.261 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+]Cc1c(Cl)cccc1SC(C)C ZINC000474893215 339430219 /nfs/dbraw/zinc/43/02/19/339430219.db2.gz CKOXGKOXFJPUQQ-CYBMUJFWSA-N 1 0 313.894 4.115 20 30 DIEDRO C=CC[NH+]1CCC(NC(=O)N(CCCCC)[C@@H](C)CCC)CC1 ZINC000476043950 339467840 /nfs/dbraw/zinc/46/78/40/339467840.db2.gz TVOLIJZWVANADO-KRWDZBQOSA-N 1 0 323.525 4.027 20 30 DIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000479495487 339537989 /nfs/dbraw/zinc/53/79/89/339537989.db2.gz JVWMQCDPQNMXRW-UWJYYQICSA-N 1 0 322.452 4.247 20 30 DIEDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000479495484 339538029 /nfs/dbraw/zinc/53/80/29/339538029.db2.gz JVWMQCDPQNMXRW-LAUBAEHRSA-N 1 0 322.452 4.247 20 30 DIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000479495486 339538118 /nfs/dbraw/zinc/53/81/18/339538118.db2.gz JVWMQCDPQNMXRW-UTKZUKDTSA-N 1 0 322.452 4.247 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)c1c(Cl)cccc1Cl ZINC000480384258 339571455 /nfs/dbraw/zinc/57/14/55/339571455.db2.gz NOPOYMLTBDYBHL-NSHDSACASA-N 1 0 322.239 4.097 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1sc(C)nc1C)C(C)C ZINC000480755009 339585992 /nfs/dbraw/zinc/58/59/92/339585992.db2.gz LTZGXKSYVFSZJO-YOEHRIQHSA-N 1 0 321.534 4.109 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000481618994 339607767 /nfs/dbraw/zinc/60/77/67/339607767.db2.gz HOJOWARTTYWWON-IBGZPJMESA-N 1 0 312.363 4.438 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000482070971 339621767 /nfs/dbraw/zinc/62/17/67/339621767.db2.gz GJECYJRWUNUAHA-SIUGARCYSA-N 1 0 306.812 4.339 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000482638516 339638447 /nfs/dbraw/zinc/63/84/47/339638447.db2.gz QFJMPCVSEFBPFZ-QFIPXVFZSA-N 1 0 320.480 4.210 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000482873037 339645431 /nfs/dbraw/zinc/64/54/31/339645431.db2.gz VGIJOFZQETVYDI-VBKZILBWSA-N 1 0 311.400 4.414 20 30 DIEDRO Cc1csc(C2([NH2+]Cc3ccc(C#N)c(C)c3)CCCC2)n1 ZINC000488104744 339770516 /nfs/dbraw/zinc/77/05/16/339770516.db2.gz NIRQUQZMWDZUEG-UHFFFAOYSA-N 1 0 311.454 4.191 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1OC ZINC000488125248 339771095 /nfs/dbraw/zinc/77/10/95/339771095.db2.gz LGWYQXYBNJOIBY-HNNXBMFYSA-N 1 0 324.424 4.125 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1OC ZINC000488125249 339771141 /nfs/dbraw/zinc/77/11/41/339771141.db2.gz LGWYQXYBNJOIBY-OAHLLOKOSA-N 1 0 324.424 4.125 20 30 DIEDRO CC(C)C[C@@H](CNc1ncccc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000495318710 339980726 /nfs/dbraw/zinc/98/07/26/339980726.db2.gz DIXSXCZLBURHAB-APWZRJJASA-N 1 0 322.456 4.131 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000495406951 339983184 /nfs/dbraw/zinc/98/31/84/339983184.db2.gz HIQXQTQXFWHYKA-DLBZAZTESA-N 1 0 308.425 4.109 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000498935231 340026432 /nfs/dbraw/zinc/02/64/32/340026432.db2.gz DROPMQJOTDAOHS-UHFFFAOYSA-N 1 0 318.464 4.387 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCCCC3CCOCC3)CC2)cc1 ZINC000499599060 340040393 /nfs/dbraw/zinc/04/03/93/340040393.db2.gz HKUPDVRQPACQJN-UHFFFAOYSA-N 1 0 324.468 4.244 20 30 DIEDRO CCCCOCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000499983823 340048184 /nfs/dbraw/zinc/04/81/84/340048184.db2.gz WRMHVUSRDKYJMD-UHFFFAOYSA-N 1 0 314.473 4.187 20 30 DIEDRO C[C@H]1C[C@@]1([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000500397140 340056563 /nfs/dbraw/zinc/05/65/63/340056563.db2.gz LILWCBUZSLFIDO-ZBEGNZNMSA-N 1 0 302.830 4.298 20 30 DIEDRO C=C(C)COCC[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000500396552 340056587 /nfs/dbraw/zinc/05/65/87/340056587.db2.gz ATRPZXKWAPDVDA-GXDHUFHOSA-N 1 0 313.363 4.291 20 30 DIEDRO C[C@@H]1C[C@@]1([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000500397138 340056630 /nfs/dbraw/zinc/05/66/30/340056630.db2.gz LILWCBUZSLFIDO-BZNIZROVSA-N 1 0 302.830 4.298 20 30 DIEDRO C=CCCOCC[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000500399547 340056808 /nfs/dbraw/zinc/05/68/08/340056808.db2.gz FOYXARINVAFWNP-OWBHPGMISA-N 1 0 313.363 4.291 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCc1cccc2[nH]ccc21 ZINC000500476658 340060190 /nfs/dbraw/zinc/06/01/90/340060190.db2.gz NSKXCOKOTXJPHG-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2c(F)cc(C#N)cc2F)C1 ZINC000500531725 340061582 /nfs/dbraw/zinc/06/15/82/340061582.db2.gz BYUPEOWOAXTTSQ-KBPBESRZSA-N 1 0 321.415 4.006 20 30 DIEDRO CC[C@@H]1C[C@@]1([NH2+]Cc1ccc(C#N)c(OC)c1)c1cccc(C)c1 ZINC000500532830 340061607 /nfs/dbraw/zinc/06/16/07/340061607.db2.gz LIYBIWDKTZNIHE-NQIIRXRSSA-N 1 0 320.436 4.290 20 30 DIEDRO C[C@@H](C[NH+]1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501038873 340073058 /nfs/dbraw/zinc/07/30/58/340073058.db2.gz ZCCKZIOFIMAPGK-ZDUSSCGKSA-N 1 0 310.363 4.435 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000501205737 340076060 /nfs/dbraw/zinc/07/60/60/340076060.db2.gz OZTCEUGJKIINGX-UHFFFAOYSA-N 1 0 308.425 4.068 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000501252908 340077265 /nfs/dbraw/zinc/07/72/65/340077265.db2.gz KGGZGEGRAGMPAC-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000501269821 340077643 /nfs/dbraw/zinc/07/76/43/340077643.db2.gz RHEZUCQKPYTQDI-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000501266707 340077653 /nfs/dbraw/zinc/07/76/53/340077653.db2.gz NXRRDWAUMIKENM-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO Cc1[nH+]ccc(N2CC=C(c3ccc(C#N)cc3)CC2)c1Cl ZINC000501988871 340092163 /nfs/dbraw/zinc/09/21/63/340092163.db2.gz LNJIMMIODNBOBE-UHFFFAOYSA-N 1 0 309.800 4.209 20 30 DIEDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000502271048 340098342 /nfs/dbraw/zinc/09/83/42/340098342.db2.gz DVORTWSHXMIBLT-VWHSNLPJSA-N 1 0 324.468 4.417 20 30 DIEDRO C=CCCc1ccccc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000502323399 340099753 /nfs/dbraw/zinc/09/97/53/340099753.db2.gz VWWDWFQDXFKWNN-UHFFFAOYSA-N 1 0 321.468 4.277 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C2CCCC2)c1)c1ccc(C#N)cc1 ZINC000502426705 340102900 /nfs/dbraw/zinc/10/29/00/340102900.db2.gz GOCFDRLMZUZIMH-CABCVRRESA-N 1 0 308.429 4.282 20 30 DIEDRO CC[C@@H]1C[C@@]1([NH2+]Cc1cc(C#N)ccc1OC)c1cccc(C)c1 ZINC000502505511 340106255 /nfs/dbraw/zinc/10/62/55/340106255.db2.gz BZADKPOVZHPRTH-NQIIRXRSSA-N 1 0 320.436 4.290 20 30 DIEDRO CC[C@H]1C[C@@]1([NH2+]Cc1cc(C#N)ccc1OC)c1cccc(C)c1 ZINC000502505512 340106334 /nfs/dbraw/zinc/10/63/34/340106334.db2.gz BZADKPOVZHPRTH-RXVVDRJESA-N 1 0 320.436 4.290 20 30 DIEDRO CCOc1ccccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502526788 340106971 /nfs/dbraw/zinc/10/69/71/340106971.db2.gz CGTFZHYDNWBYHQ-UHFFFAOYSA-N 1 0 318.420 4.246 20 30 DIEDRO CC[C@@H]1C[C@@]1([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(C)c1 ZINC000502550156 340107500 /nfs/dbraw/zinc/10/75/00/340107500.db2.gz HHBSUIPLUDNYMV-XLIONFOSSA-N 1 0 308.400 4.421 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503006083 340118542 /nfs/dbraw/zinc/11/85/42/340118542.db2.gz RMXONTAPIKUHIT-VQTJNVASSA-N 1 0 322.477 4.185 20 30 DIEDRO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CC(C)(C)CCC#N)C2)c1 ZINC000503044437 340119455 /nfs/dbraw/zinc/11/94/55/340119455.db2.gz BQERMIIVLMPHDG-GOSISDBHSA-N 1 0 306.400 4.335 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(C#N)cc1F ZINC000503932467 340137348 /nfs/dbraw/zinc/13/73/48/340137348.db2.gz YXSVMTJKWWPUER-CYBMUJFWSA-N 1 0 307.372 4.072 20 30 DIEDRO CC[N@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000505848231 340179593 /nfs/dbraw/zinc/17/95/93/340179593.db2.gz OIAFSDYPCGECIA-UHFFFAOYSA-N 1 0 308.425 4.391 20 30 DIEDRO C=CCOc1ccc(C[N@H+](CC)Cc2cccs2)cc1OC ZINC000506029571 340183836 /nfs/dbraw/zinc/18/38/36/340183836.db2.gz DEKSRDQUPWESAG-UHFFFAOYSA-N 1 0 317.454 4.344 20 30 DIEDRO COc1ccc2cc(C[N@H+](C)Cc3cc(C#N)cs3)ccc2c1 ZINC000506039886 340184057 /nfs/dbraw/zinc/18/40/57/340184057.db2.gz DXFDNGKGGDYOFI-UHFFFAOYSA-N 1 0 322.433 4.414 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccccc1OC(F)F ZINC000506133626 340186367 /nfs/dbraw/zinc/18/63/67/340186367.db2.gz AMSYEDKCDIFQRV-UHFFFAOYSA-N 1 0 303.352 4.476 20 30 DIEDRO C[N@@H+](Cc1cccc(OCCCC#N)c1)CC1CCCCC1 ZINC000506323653 340192133 /nfs/dbraw/zinc/19/21/33/340192133.db2.gz BMKWWDSYDOTGOP-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO Cc1cc(C)cc(OCCC[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000506377290 340193583 /nfs/dbraw/zinc/19/35/83/340193583.db2.gz KTQDATRZHCUURK-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO CSc1cccc(F)c1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000506629575 340198007 /nfs/dbraw/zinc/19/80/07/340198007.db2.gz BJFYCQWWFPROKZ-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CC(C)(C)CCC#N ZINC000507146092 340209445 /nfs/dbraw/zinc/20/94/45/340209445.db2.gz VNBANKINVNJLJK-SFHVURJKSA-N 1 0 300.446 4.334 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(C#N)cc1F ZINC000507146483 340209643 /nfs/dbraw/zinc/20/96/43/340209643.db2.gz XERAPFOUJUINEG-HXUWFJFHSA-N 1 0 324.399 4.215 20 30 DIEDRO CCOc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000507151378 340209688 /nfs/dbraw/zinc/20/96/88/340209688.db2.gz FBJWXIVRNXRROH-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO C[N@H+](CCCc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000507169680 340210840 /nfs/dbraw/zinc/21/08/40/340210840.db2.gz KHLCOSFPEQJPRN-UHFFFAOYSA-N 1 0 322.452 4.434 20 30 DIEDRO C[C@H](C1CC1)[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000507442277 340219778 /nfs/dbraw/zinc/21/97/78/340219778.db2.gz OEVRGVLESGWHFI-MRXNPFEDSA-N 1 0 320.436 4.368 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCOC1 ZINC000507495357 340222782 /nfs/dbraw/zinc/22/27/82/340222782.db2.gz LUZYVQPNMTUYMJ-OXJNMPFZSA-N 1 0 320.436 4.130 20 30 DIEDRO CC(C)COCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507637329 340227045 /nfs/dbraw/zinc/22/70/45/340227045.db2.gz PHMFIPHODDSFBQ-UHFFFAOYSA-N 1 0 314.473 4.043 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000507698390 340228604 /nfs/dbraw/zinc/22/86/04/340228604.db2.gz OBBAVGSBMAPRDR-UHFFFAOYSA-N 1 0 316.351 4.350 20 30 DIEDRO CCCCCOc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000507713856 340229289 /nfs/dbraw/zinc/22/92/89/340229289.db2.gz MDJYLWJIZYHPTJ-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2c[nH]nc21 ZINC000507728630 340229707 /nfs/dbraw/zinc/22/97/07/340229707.db2.gz YYYUKARIBWQLLG-UHFFFAOYSA-N 1 0 318.424 4.093 20 30 DIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000508510694 340245253 /nfs/dbraw/zinc/24/52/53/340245253.db2.gz LQRBVCLPOCFAGJ-UHFFFAOYSA-N 1 0 321.424 4.042 20 30 DIEDRO N#Cc1cccc(CNc2[nH+]ccn2Cc2ccccc2Cl)c1 ZINC000508517458 340245509 /nfs/dbraw/zinc/24/55/09/340245509.db2.gz HFGDEIHBNQWPGJ-UHFFFAOYSA-N 1 0 322.799 4.069 20 30 DIEDRO CC[N@H+](Cc1ccccc1N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000508605317 340247805 /nfs/dbraw/zinc/24/78/05/340247805.db2.gz QURBTDYWNDWZAF-MRXNPFEDSA-N 1 0 307.441 4.207 20 30 DIEDRO CC[N@H+](Cc1ccc2c(c1)CCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000508606755 340247832 /nfs/dbraw/zinc/24/78/32/340247832.db2.gz ZKHZLVMERSLFKM-OAHLLOKOSA-N 1 0 306.409 4.076 20 30 DIEDRO CC[N@H+](Cc1c(C)nc2ccccn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000508671653 340250318 /nfs/dbraw/zinc/25/03/18/340250318.db2.gz NNUOPETVIMHSQP-INIZCTEOSA-N 1 0 318.424 4.098 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)o1 ZINC000508692800 340250895 /nfs/dbraw/zinc/25/08/95/340250895.db2.gz FZBGOTDXAOAEJR-UHFFFAOYSA-N 1 0 312.388 4.278 20 30 DIEDRO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000509009061 340258031 /nfs/dbraw/zinc/25/80/31/340258031.db2.gz WSOOKDJNBJYNMQ-CJNGLKHVSA-N 1 0 324.262 4.177 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)o1 ZINC000509379188 340267859 /nfs/dbraw/zinc/26/78/59/340267859.db2.gz MTCFNLYGZHZHSO-GFCCVEGCSA-N 1 0 318.779 4.151 20 30 DIEDRO CCOc1ccc(C2=CC[N@H+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000509417060 340268866 /nfs/dbraw/zinc/26/88/66/340268866.db2.gz ONSPRXONJSHHKD-UHFFFAOYSA-N 1 0 318.420 4.246 20 30 DIEDRO C[NH+](C)[C@@H](CNc1cccc(F)c1C#N)c1ccccc1Cl ZINC000302599007 340277206 /nfs/dbraw/zinc/27/72/06/340277206.db2.gz KHQXCHZPGRGYEC-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H](C)c1cccc(Br)c1 ZINC000509776204 340278841 /nfs/dbraw/zinc/27/88/41/340278841.db2.gz XRUQGLXOIMOPGY-STQMWFEESA-N 1 0 309.251 4.034 20 30 DIEDRO C=CC[N@@H+](CCc1scnc1C)Cc1ccc(Cl)s1 ZINC000509845912 340281549 /nfs/dbraw/zinc/28/15/49/340281549.db2.gz IOTNFFWBDPHZOO-UHFFFAOYSA-N 1 0 312.891 4.397 20 30 DIEDRO C=CCCc1ccccc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000510152202 340290761 /nfs/dbraw/zinc/29/07/61/340290761.db2.gz UKWQIXOHUYBNBE-KRWDZBQOSA-N 1 0 300.446 4.008 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)s1 ZINC000510397377 340298045 /nfs/dbraw/zinc/29/80/45/340298045.db2.gz VNMVMNGJKGHDNL-UHFFFAOYSA-N 1 0 314.429 4.214 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510483233 340300812 /nfs/dbraw/zinc/30/08/12/340300812.db2.gz SOLHHCTUENBNKG-OAHLLOKOSA-N 1 0 313.420 4.114 20 30 DIEDRO C[N@H+](CCc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000303086170 340301234 /nfs/dbraw/zinc/30/12/34/340301234.db2.gz BHSSUKFFHSXIAE-UHFFFAOYSA-N 1 0 300.405 4.386 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000510554535 340302668 /nfs/dbraw/zinc/30/26/68/340302668.db2.gz RABYDVGRBYRDQM-WEVVVXLNSA-N 1 0 318.420 4.115 20 30 DIEDRO Cc1cc(OCCC[C@@H](C)[NH2+]CCCCC#N)ccc1Cl ZINC000510689989 340306915 /nfs/dbraw/zinc/30/69/15/340306915.db2.gz YMJZACDFFKWMBP-OAHLLOKOSA-N 1 0 308.853 4.479 20 30 DIEDRO C=C(C)CC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000510815816 340311799 /nfs/dbraw/zinc/31/17/99/340311799.db2.gz WSZNZPPHDBUAJJ-CQSZACIVSA-N 1 0 310.235 4.171 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000511837131 340339593 /nfs/dbraw/zinc/33/95/93/340339593.db2.gz CMXUVWHIYFHCSO-HBMCJLEFSA-N 1 0 302.421 4.326 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1OC ZINC000511875318 340341355 /nfs/dbraw/zinc/34/13/55/340341355.db2.gz RTOAJQLNQXOLEQ-IAGOWNOFSA-N 1 0 301.430 4.025 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1cccc(F)c1 ZINC000512149413 340350046 /nfs/dbraw/zinc/35/00/46/340350046.db2.gz RLUYNVGVCBMFLI-AWEZNQCLSA-N 1 0 303.377 4.050 20 30 DIEDRO C=C(C)C[N@H+](CCCc1ccc(C)cc1)Cc1ccc(CO)o1 ZINC000512184245 340351328 /nfs/dbraw/zinc/35/13/28/340351328.db2.gz WQBGGGWNMXLLTK-UHFFFAOYSA-N 1 0 313.441 4.091 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCc2ccccc21 ZINC000512192735 340351728 /nfs/dbraw/zinc/35/17/28/340351728.db2.gz BSTFLKGSOYARHT-FQEVSTJZSA-N 1 0 311.425 4.228 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(C)C)cc1 ZINC000512221529 340352896 /nfs/dbraw/zinc/35/28/96/340352896.db2.gz YLPOPDQODPVFME-UHFFFAOYSA-N 1 0 313.441 4.474 20 30 DIEDRO CCOc1ccc([C@@H]2CCCN2Cc2cccc(C#N)c2F)cc1 ZINC000512408422 340360915 /nfs/dbraw/zinc/36/09/15/340360915.db2.gz GYHHBGBGTHPXNC-IBGZPJMESA-N 1 0 324.399 4.433 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)cc1 ZINC000512542220 340366122 /nfs/dbraw/zinc/36/61/22/340366122.db2.gz MERGOJICFOKVSO-UHFFFAOYSA-N 1 0 310.372 4.162 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2F)cc1 ZINC000512553087 340366658 /nfs/dbraw/zinc/36/66/58/340366658.db2.gz YPMWJAVEYBPYJN-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000512582236 340367992 /nfs/dbraw/zinc/36/79/92/340367992.db2.gz LWMXCLPNJQMLSD-UHFFFAOYSA-N 1 0 303.352 4.479 20 30 DIEDRO C[C@H]([NH2+]CCc1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512615562 340369131 /nfs/dbraw/zinc/36/91/31/340369131.db2.gz ZKOVFEYWKRUBQC-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@@H]([NH2+]CCOC1CCCCCC1)c1ccc(C#N)cc1F ZINC000512631466 340369934 /nfs/dbraw/zinc/36/99/34/340369934.db2.gz RLJVXJXRPAGLHF-CQSZACIVSA-N 1 0 304.409 4.087 20 30 DIEDRO C[C@H]([NH2+]CCOC1CCCCCC1)c1ccc(C#N)cc1F ZINC000512631465 340370009 /nfs/dbraw/zinc/37/00/09/340370009.db2.gz RLJVXJXRPAGLHF-AWEZNQCLSA-N 1 0 304.409 4.087 20 30 DIEDRO Cc1ccccc1C1(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512634214 340370250 /nfs/dbraw/zinc/37/02/50/340370250.db2.gz BWWSBUUUQQCJDC-OAHLLOKOSA-N 1 0 308.400 4.388 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000512643779 340370599 /nfs/dbraw/zinc/37/05/99/340370599.db2.gz YJOGWOUWVGWHNY-YPMHNXCESA-N 1 0 302.418 4.349 20 30 DIEDRO Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512642912 340370639 /nfs/dbraw/zinc/37/06/39/340370639.db2.gz UFOYFIHDZBHQHI-GJZGRUSLSA-N 1 0 312.388 4.124 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512649678 340370965 /nfs/dbraw/zinc/37/09/65/340370965.db2.gz TWDRDVVGXMAUTG-XIKOKIGWSA-N 1 0 310.372 4.044 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652778 340371085 /nfs/dbraw/zinc/37/10/85/340371085.db2.gz BJUXPAXPGMYBLT-RDJZCZTQSA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512660143 340371565 /nfs/dbraw/zinc/37/15/65/340371565.db2.gz LIBBIIQSOLAIBW-LSDHHAIUSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512666050 340371814 /nfs/dbraw/zinc/37/18/14/340371814.db2.gz IIDDBBDUJOCCKL-AWEZNQCLSA-N 1 0 308.400 4.153 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1F ZINC000512667065 340372070 /nfs/dbraw/zinc/37/20/70/340372070.db2.gz NXVAOLLWBRESCD-DJJJIMSYSA-N 1 0 324.399 4.434 20 30 DIEDRO N#CCSCCC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000173901238 340377160 /nfs/dbraw/zinc/37/71/60/340377160.db2.gz JCUDGJPTEKVLGB-FQEVSTJZSA-N 1 0 322.477 4.433 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512817892 340379215 /nfs/dbraw/zinc/37/92/15/340379215.db2.gz NXENGVJLMWUFPI-OAHLLOKOSA-N 1 0 316.420 4.285 20 30 DIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NCc1cc(C#N)n(C)c1 ZINC000512860608 340381139 /nfs/dbraw/zinc/38/11/39/340381139.db2.gz JWUIOVICGMPFJV-UHFFFAOYSA-N 1 0 322.456 4.198 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)cc1 ZINC000513069574 340391910 /nfs/dbraw/zinc/39/19/10/340391910.db2.gz PBCQSVCNLUVCOE-UHFFFAOYSA-N 1 0 306.409 4.331 20 30 DIEDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000513101880 340393387 /nfs/dbraw/zinc/39/33/87/340393387.db2.gz UZWIBUWYZWLSJB-YWZLYKJASA-N 1 0 306.409 4.025 20 30 DIEDRO CC(C)[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCC1 ZINC000174872095 340397975 /nfs/dbraw/zinc/39/79/75/340397975.db2.gz AWJVASPNHMENGK-UHFFFAOYSA-N 1 0 323.440 4.001 20 30 DIEDRO CC[C@H]1C[N@H+](CCCSCC#N)CC[C@@H]1c1ccccc1 ZINC000174888877 340398510 /nfs/dbraw/zinc/39/85/10/340398510.db2.gz HXSWVWLRHMJGRR-WMZOPIPTSA-N 1 0 302.487 4.149 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccco1 ZINC000513703120 340420505 /nfs/dbraw/zinc/42/05/05/340420505.db2.gz QNPDAXQMVLIWTE-CQSZACIVSA-N 1 0 316.470 4.455 20 30 DIEDRO C=CCCCCC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000517183744 340465098 /nfs/dbraw/zinc/46/50/98/340465098.db2.gz AWOCBMQLWCACKJ-UHFFFAOYSA-N 1 0 305.437 4.253 20 30 DIEDRO CC1(C)CC[C@@H]2C[C@H]([NH2+]C[C@H](C#N)CCC#N)c3cccc1c32 ZINC000517230976 340466181 /nfs/dbraw/zinc/46/61/81/340466181.db2.gz MBIHZENTSBYKNT-DAYGRLMNSA-N 1 0 307.441 4.320 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(c3ccccc3OC)CC2)cc1 ZINC000517545904 340471783 /nfs/dbraw/zinc/47/17/83/340471783.db2.gz GKLAGHIZTCWXNI-UHFFFAOYSA-N 1 0 323.436 4.081 20 30 DIEDRO CC1CC[NH+](Cc2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185724976 340504542 /nfs/dbraw/zinc/50/45/42/340504542.db2.gz PYVRNJQIODWDQC-QUCCMNQESA-N 1 0 311.473 4.413 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1cccc2nccn21)c1ccc(F)c(F)c1 ZINC000187370969 340519499 /nfs/dbraw/zinc/51/94/99/340519499.db2.gz XLYARXAXETYRIE-GOSISDBHSA-N 1 0 313.351 4.020 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)o2)ccc1-c1ccccc1 ZINC000189507939 340537045 /nfs/dbraw/zinc/53/70/45/340537045.db2.gz WMVJDUQPPXBREM-UHFFFAOYSA-N 1 0 302.377 4.417 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000190827863 340547346 /nfs/dbraw/zinc/54/73/46/340547346.db2.gz MMQQDWHPDHUETI-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000191442790 340554355 /nfs/dbraw/zinc/55/43/55/340554355.db2.gz IXHJGJOKJZBAIV-UHFFFAOYSA-N 1 0 324.468 4.428 20 30 DIEDRO N#CC1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000194997141 340598172 /nfs/dbraw/zinc/59/81/72/340598172.db2.gz ZZQKFCAFXPKHFI-UHFFFAOYSA-N 1 0 310.363 4.264 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000232314271 340631255 /nfs/dbraw/zinc/63/12/55/340631255.db2.gz XBKWYDTXICKJDY-KRWDZBQOSA-N 1 0 301.821 4.037 20 30 DIEDRO C[NH+](C)[C@@H](CNc1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000303164461 340633482 /nfs/dbraw/zinc/63/34/82/340633482.db2.gz FSLIETZGLMRWNF-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000523935842 340644359 /nfs/dbraw/zinc/64/43/59/340644359.db2.gz KNAUPPQJEJAYNR-RDTXWAMCSA-N 1 0 312.388 4.060 20 30 DIEDRO CC(C)c1ccc(OC2CC[NH+](CCCCC#N)CC2)cc1 ZINC000524112198 340647593 /nfs/dbraw/zinc/64/75/93/340647593.db2.gz RFIYYXQAGLMOKN-UHFFFAOYSA-N 1 0 300.446 4.347 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(CC#N)cc1)c1nc2ccccc2s1 ZINC000528606079 340726033 /nfs/dbraw/zinc/72/60/33/340726033.db2.gz ZGEJEVZLQLWZQE-UHFFFAOYSA-N 1 0 321.449 4.387 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)s1 ZINC000123732738 340794057 /nfs/dbraw/zinc/79/40/57/340794057.db2.gz XQOFJTQFAOXPCC-UHFFFAOYSA-N 1 0 321.449 4.481 20 30 DIEDRO N#CC1CC[NH+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000123762849 340794571 /nfs/dbraw/zinc/79/45/71/340794571.db2.gz SQBXAJSWABJBBW-UHFFFAOYSA-N 1 0 324.399 4.140 20 30 DIEDRO Cc1ccc(COc2ccc(C[NH+]3CCC(C#N)CC3)cc2)cc1 ZINC000123760600 340794597 /nfs/dbraw/zinc/79/45/97/340794597.db2.gz HUQDSNJXYNCQSX-UHFFFAOYSA-N 1 0 320.436 4.310 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000538207618 340813398 /nfs/dbraw/zinc/81/33/98/340813398.db2.gz HTOXHFYFIIACOF-HOTGVXAUSA-N 1 0 300.446 4.209 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000538409614 340821877 /nfs/dbraw/zinc/82/18/77/340821877.db2.gz RWKBUNTUVABPJC-LPMFXHHGSA-N 1 0 312.388 4.124 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C#N)c(F)c2)C12CCCC2 ZINC000538507421 340829519 /nfs/dbraw/zinc/82/95/19/340829519.db2.gz DHGLSJUXXPIIDY-FSPWUOQZSA-N 1 0 316.420 4.086 20 30 DIEDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538508212 340829610 /nfs/dbraw/zinc/82/96/10/340829610.db2.gz CCPUQLLHSVPEBV-APHBMKBZSA-N 1 0 306.450 4.412 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000538511413 340830155 /nfs/dbraw/zinc/83/01/55/340830155.db2.gz JLOGOSAUCCBXOF-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000539138146 340874809 /nfs/dbraw/zinc/87/48/09/340874809.db2.gz CGBKPLOIMCPUKJ-ZDUSSCGKSA-N 1 0 319.433 4.328 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000539262419 340879007 /nfs/dbraw/zinc/87/90/07/340879007.db2.gz HUELDZIOOGDCSG-FQEVSTJZSA-N 1 0 308.425 4.362 20 30 DIEDRO CC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(F)cc1F ZINC000539290258 340879521 /nfs/dbraw/zinc/87/95/21/340879521.db2.gz WTUUECAOAPKQSQ-SFHVURJKSA-N 1 0 303.327 4.196 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000539297482 340879834 /nfs/dbraw/zinc/87/98/34/340879834.db2.gz FANLRDNYTCSRHI-NXEZZACHSA-N 1 0 322.663 4.482 20 30 DIEDRO CSc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000539495484 340887340 /nfs/dbraw/zinc/88/73/40/340887340.db2.gz SWYSSIWGPKOMGM-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2oc3ccccc3c2CC)CC1 ZINC000539496567 340887610 /nfs/dbraw/zinc/88/76/10/340887610.db2.gz JHEPOVOISCEREN-HNNXBMFYSA-N 1 0 312.457 4.296 20 30 DIEDRO COc1ccc([C@H](C)CC[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000539497808 340887632 /nfs/dbraw/zinc/88/76/32/340887632.db2.gz YPJPQRVFOKCJOF-HZPDHXFCSA-N 1 0 308.425 4.411 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)c1cccc(C#N)c1 ZINC000539506482 340888228 /nfs/dbraw/zinc/88/82/28/340888228.db2.gz IRKNYMDRPIVRDH-UONOGXRCSA-N 1 0 314.816 4.330 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000539513832 340888884 /nfs/dbraw/zinc/88/88/84/340888884.db2.gz JSLGOKYJXMNQCC-LJQANCHMSA-N 1 0 316.404 4.267 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)c1c(F)cccc1Cl ZINC000539531206 340889384 /nfs/dbraw/zinc/88/93/84/340889384.db2.gz QHTXZAMVLYGZNB-UHFFFAOYSA-N 1 0 306.768 4.011 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000128510475 340891620 /nfs/dbraw/zinc/89/16/20/340891620.db2.gz ISACLDYTPPKCTI-SFHVURJKSA-N 1 0 322.452 4.089 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000540178576 340921018 /nfs/dbraw/zinc/92/10/18/340921018.db2.gz IRQYVXNFUDVENI-UHFFFAOYSA-N 1 0 310.441 4.026 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000540459007 340932162 /nfs/dbraw/zinc/93/21/62/340932162.db2.gz ULASLLFOHHPGNF-IBGZPJMESA-N 1 0 308.425 4.231 20 30 DIEDRO C[C@H]([NH2+]CCOC1CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000540707041 340942423 /nfs/dbraw/zinc/94/24/23/340942423.db2.gz NIEPDDQHWISCOF-AWEZNQCLSA-N 1 0 304.409 4.087 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccccc1Br ZINC000129357079 340954292 /nfs/dbraw/zinc/95/42/92/340954292.db2.gz TVYOATLZPJHMPK-NSHDSACASA-N 1 0 300.265 4.019 20 30 DIEDRO C=C(C)COCC[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000542161114 340997861 /nfs/dbraw/zinc/99/78/61/340997861.db2.gz GWZDRAFLKZFXAM-UHFFFAOYSA-N 1 0 313.363 4.134 20 30 DIEDRO C[C@H](C#N)C[N@H+](CCCc1ccccc1Br)C1CC1 ZINC000542207593 341000046 /nfs/dbraw/zinc/00/00/46/341000046.db2.gz NHRJHEJJJAAZOV-CYBMUJFWSA-N 1 0 321.262 4.006 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000130268288 341010974 /nfs/dbraw/zinc/01/09/74/341010974.db2.gz UPOZMGGBQDXDLO-JTQLQIEISA-N 1 0 306.818 4.133 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000130277416 341011970 /nfs/dbraw/zinc/01/19/70/341011970.db2.gz HDANUFHOYAGOLC-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000542561971 341013745 /nfs/dbraw/zinc/01/37/45/341013745.db2.gz FJVYGLGXCLUJHO-RDBSUJKOSA-N 1 0 315.379 4.114 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000542678503 341016990 /nfs/dbraw/zinc/01/69/90/341016990.db2.gz UUOHJHLOMBQMTM-HXUWFJFHSA-N 1 0 316.489 4.449 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)c1ccccc1 ZINC000130491428 341023027 /nfs/dbraw/zinc/02/30/27/341023027.db2.gz GHMGPBGRSHXNBS-HXUWFJFHSA-N 1 0 316.408 4.007 20 30 DIEDRO COc1cc(C)c(C[NH2+][C@H](CCC#N)c2ccccc2)cc1OC ZINC000130493866 341023047 /nfs/dbraw/zinc/02/30/47/341023047.db2.gz ZCOPRFZJFRNWSY-GOSISDBHSA-N 1 0 324.424 4.147 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000542853270 341023638 /nfs/dbraw/zinc/02/36/38/341023638.db2.gz HFLZZJHQJAHBOO-UHFFFAOYSA-N 1 0 320.436 4.391 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000543106158 341032221 /nfs/dbraw/zinc/03/22/21/341032221.db2.gz KUVNPVFXNTTXQO-SFHVURJKSA-N 1 0 308.450 4.210 20 30 DIEDRO CC[N@H+](Cc1ccc(CC#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000543139261 341033671 /nfs/dbraw/zinc/03/36/71/341033671.db2.gz OQOPCSAJQCFANN-MRXNPFEDSA-N 1 0 303.409 4.207 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000543208046 341037001 /nfs/dbraw/zinc/03/70/01/341037001.db2.gz KCSRTBIGSJQBHX-RTWAWAEBSA-N 1 0 315.420 4.024 20 30 DIEDRO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC(C)(C)CCC#N ZINC000130741369 341040252 /nfs/dbraw/zinc/04/02/52/341040252.db2.gz DQKVCLMXUYXEDL-UHFFFAOYSA-N 1 0 314.351 4.347 20 30 DIEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCC(C)(C)C#N)oc21 ZINC000543518793 341048365 /nfs/dbraw/zinc/04/83/65/341048365.db2.gz ZTAYVIDQICWYTK-CYBMUJFWSA-N 1 0 300.402 4.422 20 30 DIEDRO N#CCc1ccc(C[NH2+]C2(Cc3ccccc3)CCCC2)cc1 ZINC000543558952 341049037 /nfs/dbraw/zinc/04/90/37/341049037.db2.gz NMGOJDDQQCZDKI-UHFFFAOYSA-N 1 0 304.437 4.398 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000543635107 341052383 /nfs/dbraw/zinc/05/23/83/341052383.db2.gz MRUPVPRHHKQKOP-GJZGRUSLSA-N 1 0 301.455 4.250 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960932 341064401 /nfs/dbraw/zinc/06/44/01/341064401.db2.gz GAFPZRGGVPRSNQ-IIBYNOLFSA-N 1 0 320.436 4.445 20 30 DIEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000544144050 341072066 /nfs/dbraw/zinc/07/20/66/341072066.db2.gz OEUCWQUYZHADCQ-LAUBAEHRSA-N 1 0 304.437 4.206 20 30 DIEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000544365877 341078242 /nfs/dbraw/zinc/07/82/42/341078242.db2.gz LXKMEBWPSIRXAZ-QGZVFWFLSA-N 1 0 300.446 4.237 20 30 DIEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000544365876 341078342 /nfs/dbraw/zinc/07/83/42/341078342.db2.gz LXKMEBWPSIRXAZ-KRWDZBQOSA-N 1 0 300.446 4.237 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2cc(C#N)cs2)c1 ZINC000544367266 341078436 /nfs/dbraw/zinc/07/84/36/341078436.db2.gz UTOGDPKSNQAEQA-ACJLOTCBSA-N 1 0 312.438 4.211 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(C#N)cc1F ZINC000544386284 341079615 /nfs/dbraw/zinc/07/96/15/341079615.db2.gz LFGUZJUXSCPSJK-JTQLQIEISA-N 1 0 322.305 4.008 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)CC(F)(F)F)cc1OC ZINC000544840819 341095990 /nfs/dbraw/zinc/09/59/90/341095990.db2.gz DNHGWEXZRSXOLM-ZDUSSCGKSA-N 1 0 317.351 4.081 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000131643962 341105642 /nfs/dbraw/zinc/10/56/42/341105642.db2.gz BXGIXRTZUHPRFJ-KRWDZBQOSA-N 1 0 319.452 4.351 20 30 DIEDRO C[C@H](C#N)C[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000545192249 341112770 /nfs/dbraw/zinc/11/27/70/341112770.db2.gz PCAYQZSKOSCVPD-GOSISDBHSA-N 1 0 306.453 4.370 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545866010 341143633 /nfs/dbraw/zinc/14/36/33/341143633.db2.gz YDTIFRYWKOZRON-PMUMKWKESA-N 1 0 317.864 4.353 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000545978965 341149299 /nfs/dbraw/zinc/14/92/99/341149299.db2.gz XEONUQKTTVLSSZ-DVOMOZLQSA-N 1 0 314.256 4.156 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CCC1 ZINC000546224192 341157583 /nfs/dbraw/zinc/15/75/83/341157583.db2.gz PACOBDWTUWQWMN-INIZCTEOSA-N 1 0 320.436 4.339 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000564307072 341177877 /nfs/dbraw/zinc/17/78/77/341177877.db2.gz TUKUXGRHMPCEPH-VXGBXAGGSA-N 1 0 305.809 4.395 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000564307071 341177900 /nfs/dbraw/zinc/17/79/00/341177900.db2.gz TUKUXGRHMPCEPH-RYUDHWBXSA-N 1 0 305.809 4.395 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000546685838 341178726 /nfs/dbraw/zinc/17/87/26/341178726.db2.gz SBGFWPMXPOKQOX-IUODEOHRSA-N 1 0 302.245 4.361 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000564315408 341203564 /nfs/dbraw/zinc/20/35/64/341203564.db2.gz QAWIPVZZLYXATK-UHFFFAOYSA-N 1 0 308.425 4.026 20 30 DIEDRO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000547392616 341210628 /nfs/dbraw/zinc/21/06/28/341210628.db2.gz VSRKVBCCRVYLQF-KLOIUYPJSA-N 1 0 308.400 4.468 20 30 DIEDRO Cc1cc(C)cc(CC[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000237833969 341221631 /nfs/dbraw/zinc/22/16/31/341221631.db2.gz BMHIZOAHMMAOCD-UHFFFAOYSA-N 1 0 322.452 4.318 20 30 DIEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000135682625 341243982 /nfs/dbraw/zinc/24/39/82/341243982.db2.gz JSPFFKKBWGKTKF-HNNXBMFYSA-N 1 0 300.427 4.325 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(OC(F)F)c1 ZINC000135679867 341244009 /nfs/dbraw/zinc/24/40/09/341244009.db2.gz CIYWCFNDRVWAGC-JTQLQIEISA-N 1 0 308.353 4.072 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000135711862 341244656 /nfs/dbraw/zinc/24/46/56/341244656.db2.gz NTNMKBYLQQZKKZ-NWDGAFQWSA-N 1 0 312.251 4.463 20 30 DIEDRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1)OCc1ccccc1 ZINC000548933423 341281471 /nfs/dbraw/zinc/28/14/71/341281471.db2.gz ULAXLOJFMAAJLG-IRXDYDNUSA-N 1 0 308.425 4.204 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000548934732 341281613 /nfs/dbraw/zinc/28/16/13/341281613.db2.gz QBKBGTVTKCJNJN-MRXNPFEDSA-N 1 0 322.374 4.307 20 30 DIEDRO C=CCC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549035760 341284166 /nfs/dbraw/zinc/28/41/66/341284166.db2.gz IVZLVXDUYNDPIQ-SJORKVTESA-N 1 0 310.844 4.169 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549117224 341286217 /nfs/dbraw/zinc/28/62/17/341286217.db2.gz LIRKPTZAOCLHTQ-IAGOWNOFSA-N 1 0 310.844 4.170 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549233352 341289221 /nfs/dbraw/zinc/28/92/21/341289221.db2.gz UTAWYQKISVYWAA-YSSFQJQWSA-N 1 0 302.421 4.329 20 30 DIEDRO CC[C@@H]1C[N@H+](CCCSCC#N)CC[C@H]1c1ccccc1 ZINC000245408574 341291524 /nfs/dbraw/zinc/29/15/24/341291524.db2.gz HXSWVWLRHMJGRR-SJLPKXTDSA-N 1 0 302.487 4.149 20 30 DIEDRO C[N@H+](CCCSCC#N)C1c2ccccc2-c2ccccc21 ZINC000081596919 341298334 /nfs/dbraw/zinc/29/83/34/341298334.db2.gz AELXIOPBOPDWBF-UHFFFAOYSA-N 1 0 308.450 4.335 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000549676108 341300341 /nfs/dbraw/zinc/30/03/41/341300341.db2.gz ZFMCFRKFTZUNBU-CJNGLKHVSA-N 1 0 306.812 4.293 20 30 DIEDRO C=CCOCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000549928260 341307035 /nfs/dbraw/zinc/30/70/35/341307035.db2.gz LQIAOXOZUHKWIC-HNNXBMFYSA-N 1 0 301.352 4.195 20 30 DIEDRO CC(C)(C)c1ccc(C(C)(C)C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000550219438 341312735 /nfs/dbraw/zinc/31/27/35/341312735.db2.gz QBUKEQPYBJGXNA-INIZCTEOSA-N 1 0 311.473 4.295 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C)c(O)c(C)c1 ZINC000550366635 341315784 /nfs/dbraw/zinc/31/57/84/341315784.db2.gz JGBCKXNCKLLYEX-UHFFFAOYSA-N 1 0 308.425 4.293 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000550809192 341323498 /nfs/dbraw/zinc/32/34/98/341323498.db2.gz GKIHKLMIHMWYJF-KRWDZBQOSA-N 1 0 308.425 4.047 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000550855978 341324542 /nfs/dbraw/zinc/32/45/42/341324542.db2.gz GJGSYZDRBANGSZ-HKUYNNGSSA-N 1 0 300.490 4.089 20 30 DIEDRO CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CCOCC1 ZINC000551221671 341334328 /nfs/dbraw/zinc/33/43/28/341334328.db2.gz FSVBXQVLUCDQIZ-RTBURBONSA-N 1 0 300.446 4.216 20 30 DIEDRO C=CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551416179 341341119 /nfs/dbraw/zinc/34/11/19/341341119.db2.gz DUWCLCQYKNOWAS-INIZCTEOSA-N 1 0 313.363 4.339 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OCCCC)cc2)CC1 ZINC000551532956 341344212 /nfs/dbraw/zinc/34/42/12/341344212.db2.gz GSEVIHVDCWKDCZ-KRWDZBQOSA-N 1 0 316.489 4.167 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)nc1 ZINC000551743007 341350339 /nfs/dbraw/zinc/35/03/39/341350339.db2.gz QDMZNXGSFYHMAK-NRFANRHFSA-N 1 0 313.404 4.027 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccs1 ZINC000551799332 341352082 /nfs/dbraw/zinc/35/20/82/341352082.db2.gz SYZXSSHVXKNSJS-INIZCTEOSA-N 1 0 324.453 4.144 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000564383364 341352287 /nfs/dbraw/zinc/35/22/87/341352287.db2.gz YUZQRCCHGMCYSA-HXUWFJFHSA-N 1 0 305.425 4.028 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000247243572 341362750 /nfs/dbraw/zinc/36/27/50/341362750.db2.gz DOMAUGUTZBRZQM-YLJYHZDGSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccco1 ZINC000552032930 341363374 /nfs/dbraw/zinc/36/33/74/341363374.db2.gz CVOCUWTZTAQYEG-IEBWSBKVSA-N 1 0 310.441 4.403 20 30 DIEDRO CCC(CC)(CC)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552063261 341366558 /nfs/dbraw/zinc/36/65/58/341366558.db2.gz VAOIFRUSNBBKRD-UHFFFAOYSA-N 1 0 313.489 4.333 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2)cc1 ZINC000552085556 341368327 /nfs/dbraw/zinc/36/83/27/341368327.db2.gz BTIRIZHCOQFCGP-UZLBHIALSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CC[N@@H+](CCCCCn1cc(C)cn1)Cc1ccccc1F ZINC000552131480 341371951 /nfs/dbraw/zinc/37/19/51/341371951.db2.gz KNOUILIRPUHTDI-UHFFFAOYSA-N 1 0 315.436 4.189 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000552290908 341384574 /nfs/dbraw/zinc/38/45/74/341384574.db2.gz YVYCTOKYHDJEIP-SJCJKPOMSA-N 1 0 300.402 4.342 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCO[C@H]2CCCc3ccccc32)C1 ZINC000248724349 341385157 /nfs/dbraw/zinc/38/51/57/341385157.db2.gz CQCDATVMXDNPSC-POAQFYNOSA-N 1 0 312.457 4.143 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000248990051 341391533 /nfs/dbraw/zinc/39/15/33/341391533.db2.gz NCQHZQYDVSUGSF-ZOWXZIJZSA-N 1 0 307.235 4.182 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000249409588 341397339 /nfs/dbraw/zinc/39/73/39/341397339.db2.gz XMZJCXKIAFTHLC-YLJYHZDGSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000552756379 341403527 /nfs/dbraw/zinc/40/35/27/341403527.db2.gz HJOYVYZWYYAWHL-HZPDHXFCSA-N 1 0 323.502 4.266 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)C1CC1 ZINC000090657160 341418233 /nfs/dbraw/zinc/41/82/33/341418233.db2.gz XVKBXMNWAODFAH-MOPGFXCFSA-N 1 0 301.474 4.123 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000091334268 341424803 /nfs/dbraw/zinc/42/48/03/341424803.db2.gz QELXLZPISGJGLZ-FQEVSTJZSA-N 1 0 316.489 4.022 20 30 DIEDRO CC[C@H](C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000554560556 341458038 /nfs/dbraw/zinc/45/80/38/341458038.db2.gz ZBKKUQLHHQGMHB-GOSISDBHSA-N 1 0 319.452 4.133 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000556253297 341499357 /nfs/dbraw/zinc/49/93/57/341499357.db2.gz GNVHHMQKHBUBCQ-CABCVRRESA-N 1 0 319.518 4.244 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000564432044 341501619 /nfs/dbraw/zinc/50/16/19/341501619.db2.gz NYHBGXDEGNXKHL-HXUWFJFHSA-N 1 0 306.409 4.123 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000565797949 341538507 /nfs/dbraw/zinc/53/85/07/341538507.db2.gz GOQDESFMSWCDHD-DCPHZVHLSA-N 1 0 310.441 4.116 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000565966079 341543993 /nfs/dbraw/zinc/54/39/93/341543993.db2.gz PEIBBZRTHOHPEG-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000565966078 341543999 /nfs/dbraw/zinc/54/39/99/341543999.db2.gz PEIBBZRTHOHPEG-INIZCTEOSA-N 1 0 320.436 4.167 20 30 DIEDRO C=C(C)C[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000566884631 341570871 /nfs/dbraw/zinc/57/08/71/341570871.db2.gz MLOFDFIYZGEMDY-UHFFFAOYSA-N 1 0 308.141 4.134 20 30 DIEDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000264098229 341576877 /nfs/dbraw/zinc/57/68/77/341576877.db2.gz HHOPSDLCMSPECL-LJQANCHMSA-N 1 0 308.425 4.466 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000567458980 341607943 /nfs/dbraw/zinc/60/79/43/341607943.db2.gz DLXSLGXDZYNYAD-OALUTQOASA-N 1 0 305.425 4.236 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271432056 341622576 /nfs/dbraw/zinc/62/25/76/341622576.db2.gz DTZYGIXNQAWIOB-CABCVRRESA-N 1 0 310.397 4.009 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2nc(-c3cc4ccccc4o3)cs2)C1 ZINC000573906461 341742777 /nfs/dbraw/zinc/74/27/77/341742777.db2.gz NAZDNGLTTIVVGR-GXTWGEPZSA-N 1 0 323.421 4.338 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC([C@H](F)c3ccccc3F)CC2)C1 ZINC000575199430 341785348 /nfs/dbraw/zinc/78/53/48/341785348.db2.gz SXRNNOQZOKJJDJ-SIIHOXLZSA-N 1 0 304.384 4.241 20 30 DIEDRO COc1cc(C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)ccc1C#N ZINC000575841178 341809539 /nfs/dbraw/zinc/80/95/39/341809539.db2.gz ROMSIMVUMVMEQX-FQEVSTJZSA-N 1 0 324.424 4.489 20 30 DIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000173926702 341821498 /nfs/dbraw/zinc/82/14/98/341821498.db2.gz MPLGMONAYZRCOE-OAHLLOKOSA-N 1 0 321.424 4.148 20 30 DIEDRO C[C@@H]([NH2+]CCCCOCCc1ccccc1)c1ccc(C#N)cc1 ZINC000173966469 341822278 /nfs/dbraw/zinc/82/22/78/341822278.db2.gz JMLXKZKIZLKLLT-GOSISDBHSA-N 1 0 322.452 4.248 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCc2ccccc2)c(C(F)(F)F)c1 ZINC000576911497 341869161 /nfs/dbraw/zinc/86/91/61/341869161.db2.gz QBOQGVRYAIWPEQ-UHFFFAOYSA-N 1 0 318.342 4.299 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000176957727 341906923 /nfs/dbraw/zinc/90/69/23/341906923.db2.gz CUHPTKKBRCJBRT-NSHDSACASA-N 1 0 324.371 4.359 20 30 DIEDRO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCCCC#N ZINC000176962656 341907103 /nfs/dbraw/zinc/90/71/03/341907103.db2.gz PXRRFXOFVUYHFR-HNNXBMFYSA-N 1 0 305.441 4.091 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccc(C#N)o3)s2)cc1 ZINC000177584173 341921527 /nfs/dbraw/zinc/92/15/27/341921527.db2.gz XAWFCAKUHSMXMX-UHFFFAOYSA-N 1 0 324.405 4.178 20 30 DIEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCC#N)CC1 ZINC000577731658 341932690 /nfs/dbraw/zinc/93/26/90/341932690.db2.gz MUUCXHRSPOZALT-NTCAYCPXSA-N 1 0 313.401 4.014 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000181578399 519799572 /nfs/dbraw/zinc/79/95/72/519799572.db2.gz PWDXZUZVZZTMLS-IFXJQAMLSA-N 1 0 318.424 4.482 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000181578362 519799595 /nfs/dbraw/zinc/79/95/95/519799595.db2.gz LBKVZUIEWWKSJH-AUUYWEPGSA-N 1 0 318.424 4.482 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000181578433 519799634 /nfs/dbraw/zinc/79/96/34/519799634.db2.gz PWDXZUZVZZTMLS-AUUYWEPGSA-N 1 0 318.424 4.482 20 30 DIEDRO CC(C)c1nc([C@H]2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000265566131 519868114 /nfs/dbraw/zinc/86/81/14/519868114.db2.gz WFCZVWQMZIENJA-PBHICJAKSA-N 1 0 324.428 4.005 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(C#N)c2)cc(C)c1OC(F)F ZINC000237636494 524761221 /nfs/dbraw/zinc/76/12/21/524761221.db2.gz LAXMGIOFKFJSJM-UHFFFAOYSA-N 1 0 316.351 4.066 20 30 DIEDRO C[C@H]1C[C@@H]1[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191212937 524855808 /nfs/dbraw/zinc/85/58/08/524855808.db2.gz NATCBFHYKFBTPV-UYHISHBKSA-N 1 0 313.832 4.037 20 30 DIEDRO C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1cccc(C#N)c1 ZINC000266549562 525427477 /nfs/dbraw/zinc/42/74/77/525427477.db2.gz IDOKFWPDLIVNDV-HNNXBMFYSA-N 1 0 323.415 4.148 20 30 DIEDRO C[C@@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1cccc(C#N)c1 ZINC000336963763 525443563 /nfs/dbraw/zinc/44/35/63/525443563.db2.gz GYEJOYYLNWSNLR-CQSZACIVSA-N 1 0 321.399 4.462 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccc(C#N)cc1 ZINC000365666635 525517184 /nfs/dbraw/zinc/51/71/84/525517184.db2.gz HVUSYHNGMCMJMR-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(N2CCCC2)c1 ZINC000154150609 525517738 /nfs/dbraw/zinc/51/77/38/525517738.db2.gz SALIQTFDRQOZCZ-CQSZACIVSA-N 1 0 311.454 4.071 20 30 DIEDRO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000182072151 525595303 /nfs/dbraw/zinc/59/53/03/525595303.db2.gz OUOUPSYHTCCGDA-DJPFJPOOSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1 ZINC000182072220 525626389 /nfs/dbraw/zinc/62/63/89/525626389.db2.gz ODGGWVZWTXHPOP-MMOPVJDHSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000181622965 525669776 /nfs/dbraw/zinc/66/97/76/525669776.db2.gz CANBHLLSEJAUIS-UIAACRFSSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000158203593 525687705 /nfs/dbraw/zinc/68/77/05/525687705.db2.gz IGZZOEDUPYHJLD-XPGWFJOJSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000118391794 526044437 /nfs/dbraw/zinc/04/44/37/526044437.db2.gz XRCIKTUNPITSEV-QGZVFWFLSA-N 1 0 320.436 4.300 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000278866856 535915409 /nfs/dbraw/zinc/91/54/09/535915409.db2.gz WRCXXKAGUBIUKG-IBGZPJMESA-N 1 0 308.425 4.027 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000278846067 535943139 /nfs/dbraw/zinc/94/31/39/535943139.db2.gz VDRAJEPTDOCEER-DYVFJYSZSA-N 1 0 309.369 4.268 20 30 DIEDRO COCC1(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCC1 ZINC000340444837 536820772 /nfs/dbraw/zinc/82/07/72/536820772.db2.gz OUAHLJRUSGGWHW-IBGZPJMESA-N 1 0 312.457 4.122 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000286038930 536903256 /nfs/dbraw/zinc/90/32/56/536903256.db2.gz KKVXVBHNTHFKBL-GJZGRUSLSA-N 1 0 324.424 4.296 20 30 DIEDRO N#CCCCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000341190631 1037720595 /nfs/dbraw/zinc/72/05/95/1037720595.db2.gz PGZIESPMLZZFLE-OAHLLOKOSA-N 1 0 307.235 4.110 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c[nH]c2cc(Br)cnc12 ZINC001144706992 1050667268 /nfs/dbraw/zinc/66/72/68/1050667268.db2.gz WGKHPQWFGONTCK-UHFFFAOYSA-N 1 0 322.250 4.114 20 30 DIEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCCC#N ZINC000185929697 1051789711 /nfs/dbraw/zinc/78/97/11/1051789711.db2.gz LXQYWOCIFRVJFI-AWEZNQCLSA-N 1 0 309.251 4.006 20 30 DIEDRO CC#CC[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001617875702 1056894195 /nfs/dbraw/zinc/89/41/95/1056894195.db2.gz VXIYGRVNOFFQIS-UHFFFAOYSA-N 1 0 309.253 4.179 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1Br ZINC000602499189 1064003525 /nfs/dbraw/zinc/00/35/25/1064003525.db2.gz ONSWSZNLKBKARS-HIFPTAJRSA-N 1 0 307.235 4.182 20 30 DIEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001308427526 1065980973 /nfs/dbraw/zinc/98/09/73/1065980973.db2.gz CQHSIRIZWPUQFN-NSHDSACASA-N 1 0 309.251 4.235 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(F)cc(C#N)c1 ZINC001139876293 1035503507 /nfs/dbraw/zinc/50/35/07/1035503507.db2.gz QGQBRUVBDATUGM-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000187678981 1035565394 /nfs/dbraw/zinc/56/53/94/1035565394.db2.gz STUZYZXRHDVIAU-MRXNPFEDSA-N 1 0 318.420 4.025 20 30 DIEDRO Cc1ccncc1CCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000579763393 1035566671 /nfs/dbraw/zinc/56/66/71/1035566671.db2.gz YBMGNUKUKVEYDQ-UHFFFAOYSA-N 1 0 307.441 4.105 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000153948858 1035636066 /nfs/dbraw/zinc/63/60/66/1035636066.db2.gz VZCTWORQIDECBH-LJQANCHMSA-N 1 0 305.425 4.220 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001167062665 1035681575 /nfs/dbraw/zinc/68/15/75/1035681575.db2.gz MHYCDFSJMSDODH-CJNGLKHVSA-N 1 0 314.256 4.457 20 30 DIEDRO C[C@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@@H]1c1ccccc1 ZINC000610216083 1035751236 /nfs/dbraw/zinc/75/12/36/1035751236.db2.gz KAJPEXYJHBIFBX-PXNSSMCTSA-N 1 0 320.436 4.063 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001206777837 1035751843 /nfs/dbraw/zinc/75/18/43/1035751843.db2.gz VXLDAQLRBJARAM-OAHLLOKOSA-N 1 0 322.493 4.110 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@H]1c1ccccc1 ZINC000610216139 1035752382 /nfs/dbraw/zinc/75/23/82/1035752382.db2.gz OOFOINNVWMBWLE-DNVCBOLYSA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(N2CCCC2)c1 ZINC000154150511 1035767025 /nfs/dbraw/zinc/76/70/25/1035767025.db2.gz SALIQTFDRQOZCZ-AWEZNQCLSA-N 1 0 311.454 4.071 20 30 DIEDRO CSCc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000578102644 1035768795 /nfs/dbraw/zinc/76/87/95/1035768795.db2.gz SIKJCIQOSNZXDG-LJQANCHMSA-N 1 0 308.450 4.198 20 30 DIEDRO C=C[C@H](C)[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000119350744 1035769158 /nfs/dbraw/zinc/76/91/58/1035769158.db2.gz YLAXXSHCALPVRA-NWDGAFQWSA-N 1 0 302.443 4.352 20 30 DIEDRO N#Cc1ccc(CNc2ccc(-n3ccnc3)c(Cl)c2)s1 ZINC000127055129 1035803317 /nfs/dbraw/zinc/80/33/17/1035803317.db2.gz ODRPNSJJOADNRV-UHFFFAOYSA-N 1 0 314.801 4.071 20 30 DIEDRO N#CCCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000179877715 1035983943 /nfs/dbraw/zinc/98/39/43/1035983943.db2.gz HALSEMWEBGPIFO-UHFFFAOYSA-N 1 0 312.388 4.188 20 30 DIEDRO C=CCCCC[N@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001209208674 1036065812 /nfs/dbraw/zinc/06/58/12/1036065812.db2.gz XIBPENCQUIKTTA-UHFFFAOYSA-N 1 0 304.453 4.078 20 30 DIEDRO C#CCCC[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1 ZINC001209269950 1036093047 /nfs/dbraw/zinc/09/30/47/1036093047.db2.gz SIAINFFRECYCPP-UHFFFAOYSA-N 1 0 312.240 4.250 20 30 DIEDRO N#Cc1cnccc1C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC001167131219 1036158640 /nfs/dbraw/zinc/15/86/40/1036158640.db2.gz MVCLSTHIYVGSBW-UHFFFAOYSA-N 1 0 305.425 4.288 20 30 DIEDRO Cn1ccc2c1cc[nH+]c2N(CCC#N)Cc1ccc(Cl)cc1 ZINC001167135661 1036167612 /nfs/dbraw/zinc/16/76/12/1036167612.db2.gz YHCRJTXGXAQITA-UHFFFAOYSA-N 1 0 324.815 4.147 20 30 DIEDRO COc1ccc(CCC[N@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC001167138910 1036175688 /nfs/dbraw/zinc/17/56/88/1036175688.db2.gz SOGSWQDUGFTQEC-UHFFFAOYSA-N 1 0 314.473 4.424 20 30 DIEDRO Cc1cc2[nH]ccc2c(N(CCC#N)Cc2ccc(Cl)cc2)[nH+]1 ZINC001167141218 1036185499 /nfs/dbraw/zinc/18/54/99/1036185499.db2.gz OTTIQGSYTRICFU-UHFFFAOYSA-N 1 0 324.815 4.445 20 30 DIEDRO C=CCCCCCC[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001209441056 1036188191 /nfs/dbraw/zinc/18/81/91/1036188191.db2.gz SIOBMZKQUOMAFL-CQSZACIVSA-N 1 0 301.356 4.479 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCC[C@@]2(CCN(CC=C)C2=O)C1 ZINC001209442097 1036188589 /nfs/dbraw/zinc/18/85/89/1036188589.db2.gz TYJCLPNUJIBPIX-HXUWFJFHSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(Oc2ncccn2)CC1 ZINC001209444390 1036191116 /nfs/dbraw/zinc/19/11/16/1036191116.db2.gz PXIODVWROSDFFU-UHFFFAOYSA-N 1 0 317.477 4.237 20 30 DIEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CCCC(C)(C)C#N ZINC000398147112 1036248297 /nfs/dbraw/zinc/24/82/97/1036248297.db2.gz OIZUXSGTJJOVNC-IBGZPJMESA-N 1 0 315.505 4.063 20 30 DIEDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108730 1036312408 /nfs/dbraw/zinc/31/24/08/1036312408.db2.gz VFSQKSDOBWXDIX-RDTXWAMCSA-N 1 0 318.848 4.254 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc(OC)c1O ZINC000237441437 1036377199 /nfs/dbraw/zinc/37/71/99/1036377199.db2.gz XDICWWCJQLYGEV-OALUTQOASA-N 1 0 323.436 4.023 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)c1ccc(C)cn1)c1ccc(C#N)cc1 ZINC000599067162 1036457374 /nfs/dbraw/zinc/45/73/74/1036457374.db2.gz CIBACQUCYIRBRB-GOSISDBHSA-N 1 0 307.441 4.280 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000176957741 1036521646 /nfs/dbraw/zinc/52/16/46/1036521646.db2.gz CUHPTKKBRCJBRT-LLVKDONJSA-N 1 0 324.371 4.359 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)s1 ZINC000176959313 1036522667 /nfs/dbraw/zinc/52/26/67/1036522667.db2.gz ZAQDHRRSZWUTGT-UHFFFAOYSA-N 1 0 321.405 4.097 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)s1 ZINC000176978234 1036525428 /nfs/dbraw/zinc/52/54/28/1036525428.db2.gz MKLIOZZJHZOMPF-UHFFFAOYSA-N 1 0 315.829 4.087 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000121372486 1036582779 /nfs/dbraw/zinc/58/27/79/1036582779.db2.gz CQYKBQWMBDPBSZ-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001648839243 1036618950 /nfs/dbraw/zinc/61/89/50/1036618950.db2.gz LVXOEZKIDUSSFT-MJGOQNOKSA-N 1 0 322.452 4.495 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(C#N)c(F)c1 ZINC000134965866 1036644620 /nfs/dbraw/zinc/64/46/20/1036644620.db2.gz QCQSUUWZVWJGEV-BDJLRTHQSA-N 1 0 300.402 4.487 20 30 DIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCCC1(C)C ZINC001167314942 1036662482 /nfs/dbraw/zinc/66/24/82/1036662482.db2.gz SZWJYIBQHKIAOK-LJQANCHMSA-N 1 0 314.473 4.223 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000609195043 1036699997 /nfs/dbraw/zinc/69/99/97/1036699997.db2.gz XSJLPMUQNFUFKF-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(Br)cc2)CCCCC1 ZINC001654888577 1036792209 /nfs/dbraw/zinc/79/22/09/1036792209.db2.gz AADSWNVIXXPDJJ-UHFFFAOYSA-N 1 0 306.247 4.265 20 30 DIEDRO COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000610341688 1036834400 /nfs/dbraw/zinc/83/44/00/1036834400.db2.gz LXPUGDJJSUBKTD-OAHLLOKOSA-N 1 0 308.425 4.195 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1cccc(C#N)c1 ZINC000610344927 1036838879 /nfs/dbraw/zinc/83/88/79/1036838879.db2.gz MVZSRRAYPXPFFG-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000610370710 1036915973 /nfs/dbraw/zinc/91/59/73/1036915973.db2.gz ARFBHJMPKILSHP-MRXNPFEDSA-N 1 0 308.450 4.172 20 30 DIEDRO C=CCCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398027096 1037097610 /nfs/dbraw/zinc/09/76/10/1037097610.db2.gz MCVPXFFLSCAMNA-UYAOXDASSA-N 1 0 300.490 4.233 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2c(Cl)cc(Cl)cc2C#N)cc1 ZINC001211128504 1037172452 /nfs/dbraw/zinc/17/24/52/1037172452.db2.gz GBMUWZBGOQSDEL-UHFFFAOYSA-N 1 0 306.196 4.328 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000580706328 1037260900 /nfs/dbraw/zinc/26/09/00/1037260900.db2.gz VJNGCLNFKXRWOQ-IAQYHMDHSA-N 1 0 302.245 4.219 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001207136080 1037282800 /nfs/dbraw/zinc/28/28/00/1037282800.db2.gz RKYZHGKTLKRDGH-CJNGLKHVSA-N 1 0 315.379 4.463 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001167433964 1037293498 /nfs/dbraw/zinc/29/34/98/1037293498.db2.gz QBUNVPVNJAILAS-QAPCUYQASA-N 1 0 311.375 4.194 20 30 DIEDRO C=CCCCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000580874436 1037338709 /nfs/dbraw/zinc/33/87/09/1037338709.db2.gz XDEOZOJVROLYPL-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000177861511 1037376243 /nfs/dbraw/zinc/37/62/43/1037376243.db2.gz HZISSPIEIOUKNY-AWEZNQCLSA-N 1 0 312.388 4.337 20 30 DIEDRO C[NH+](C)[C@@H](CNc1cccc(C(F)F)c1C#N)c1ccccc1 ZINC000580982095 1037396460 /nfs/dbraw/zinc/39/64/60/1037396460.db2.gz ICRGSKHAXPMBEW-KRWDZBQOSA-N 1 0 315.367 4.211 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CCC(C)(C)c1ccccc1 ZINC001648910573 1037443659 /nfs/dbraw/zinc/44/36/59/1037443659.db2.gz CCVCRJQIKHPPRE-UHFFFAOYSA-N 1 0 307.437 4.156 20 30 DIEDRO Cc1cncc(Nc2cc(C#N)c(F)cc2Br)c1C ZINC001213532410 1037486645 /nfs/dbraw/zinc/48/66/45/1037486645.db2.gz GTBYYGLDBJHWBY-UHFFFAOYSA-N 1 0 320.165 4.215 20 30 DIEDRO CC[C@@H]1CCC[C@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000581263035 1037501911 /nfs/dbraw/zinc/50/19/11/1037501911.db2.gz XTKUWJRDVQKRNT-MSOLQXFVSA-N 1 0 311.473 4.155 20 30 DIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCOc1ccccc1C#N ZINC001167454430 1037531323 /nfs/dbraw/zinc/53/13/23/1037531323.db2.gz WCHWVBDGQQIPND-GOSISDBHSA-N 1 0 300.446 4.228 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]CC1(Cc2ccccc2)CCCCC1 ZINC000581344794 1037540499 /nfs/dbraw/zinc/54/04/99/1037540499.db2.gz PPYYRPCSBNXWLI-IBGZPJMESA-N 1 0 309.457 4.213 20 30 DIEDRO CCCCCCCCCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000891387621 1037611331 /nfs/dbraw/zinc/61/13/31/1037611331.db2.gz UXEKOWTUJKINJP-UHFFFAOYSA-N 1 0 310.526 4.458 20 30 DIEDRO C=CCCCC[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC001167461875 1037637672 /nfs/dbraw/zinc/63/76/72/1037637672.db2.gz UPJGIKBUSGQQFJ-FQEVSTJZSA-N 1 0 301.474 4.375 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001167464484 1037656952 /nfs/dbraw/zinc/65/69/52/1037656952.db2.gz MQCGVBXOPQPTSD-XLIONFOSSA-N 1 0 304.437 4.287 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001167465178 1037668746 /nfs/dbraw/zinc/66/87/46/1037668746.db2.gz VUMXUPKRRWDXFW-HKUYNNGSSA-N 1 0 307.412 4.364 20 30 DIEDRO C#CCC1([NH2+]Cc2ncc(-c3ccc(Cl)cc3)o2)CCC1 ZINC000933304233 1037731856 /nfs/dbraw/zinc/73/18/56/1037731856.db2.gz ITWFYURLZZKKEV-UHFFFAOYSA-N 1 0 300.789 4.031 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)s1 ZINC000610511307 1037750065 /nfs/dbraw/zinc/75/00/65/1037750065.db2.gz OIJGUJNMFBBUAV-UHFFFAOYSA-N 1 0 321.405 4.097 20 30 DIEDRO Cc1ncc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000090180695 1037751101 /nfs/dbraw/zinc/75/11/01/1037751101.db2.gz MBZNJRVZBPJVSG-LLVKDONJSA-N 1 0 324.371 4.173 20 30 DIEDRO C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133014 1037820150 /nfs/dbraw/zinc/82/01/50/1037820150.db2.gz IKRMKJICMVCTDP-NHCUHLMSSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccco1 ZINC000276458331 1037885284 /nfs/dbraw/zinc/88/52/84/1037885284.db2.gz NMWFANSMGGJNDC-KRWDZBQOSA-N 1 0 311.429 4.072 20 30 DIEDRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(CC#N)cc3)oc21 ZINC000581693844 1037918942 /nfs/dbraw/zinc/91/89/42/1037918942.db2.gz RNERZNGANQWCCA-AWEZNQCLSA-N 1 0 320.392 4.358 20 30 DIEDRO CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)n1 ZINC000341366096 1037925863 /nfs/dbraw/zinc/92/58/63/1037925863.db2.gz XMSWYOXJQWOVRZ-APWZRJJASA-N 1 0 310.445 4.030 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000602455138 1038006474 /nfs/dbraw/zinc/00/64/74/1038006474.db2.gz VLPFLHCOOGJDSF-QRQLOZEOSA-N 1 0 300.446 4.026 20 30 DIEDRO Cc1ncc([C@H](C)[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)n1 ZINC000602443202 1038006999 /nfs/dbraw/zinc/00/69/99/1038006999.db2.gz ATXSZKCNOLWYRD-INIZCTEOSA-N 1 0 322.456 4.184 20 30 DIEDRO C[C@@H](CCC#N)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000602448070 1038008808 /nfs/dbraw/zinc/00/88/08/1038008808.db2.gz ROZZZLUDCSTQDV-AWEZNQCLSA-N 1 0 311.404 4.336 20 30 DIEDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602456053 1038011589 /nfs/dbraw/zinc/01/15/89/1038011589.db2.gz ZLVDRYWVGZSIIB-YJBOKZPZSA-N 1 0 310.445 4.133 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000127316407 1038014593 /nfs/dbraw/zinc/01/45/93/1038014593.db2.gz VIWUFWDNMHNRIV-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO N#CC1CCC([NH2+]CCc2csc(-c3ccccc3)n2)CC1 ZINC000602500764 1038016117 /nfs/dbraw/zinc/01/61/17/1038016117.db2.gz AOPDOUXYRZESBD-UHFFFAOYSA-N 1 0 311.454 4.025 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(C#N)CC1 ZINC000602515844 1038024576 /nfs/dbraw/zinc/02/45/76/1038024576.db2.gz ZXWXTIHKXMRQTP-XEBKBJJBSA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000602499665 1038024755 /nfs/dbraw/zinc/02/47/55/1038024755.db2.gz RVAXGIDNKQIMIB-YJBOKZPZSA-N 1 0 319.880 4.006 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CCC#N)cc1OC ZINC000602515077 1038025469 /nfs/dbraw/zinc/02/54/69/1038025469.db2.gz TXDMZBYQSFMCMY-GJZGRUSLSA-N 1 0 304.434 4.074 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000602518940 1038026010 /nfs/dbraw/zinc/02/60/10/1038026010.db2.gz ALIWIJHVTYLQPE-AWEZNQCLSA-N 1 0 313.376 4.042 20 30 DIEDRO COc1ccc([C@H]([NH2+]C[C@@H](C)CCC#N)c2ccccc2)cc1 ZINC000602506567 1038028661 /nfs/dbraw/zinc/02/86/61/1038028661.db2.gz ZLKUZNBOMSOFER-OXJNMPFZSA-N 1 0 308.425 4.314 20 30 DIEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@@H](C)CCC#N)s2)cs1 ZINC000602511668 1038030046 /nfs/dbraw/zinc/03/00/46/1038030046.db2.gz JRPDEGUUEZXDGY-LBPRGKRZSA-N 1 0 319.499 4.252 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000602513316 1038031615 /nfs/dbraw/zinc/03/16/15/1038031615.db2.gz BYKQRAKTHKBQHG-SFHVURJKSA-N 1 0 322.452 4.433 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)cc1OCC ZINC000602511238 1038032028 /nfs/dbraw/zinc/03/20/28/1038032028.db2.gz UJKNFSMXQYEFPF-LSDHHAIUSA-N 1 0 304.434 4.074 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000602509591 1038032071 /nfs/dbraw/zinc/03/20/71/1038032071.db2.gz DVGRGAPNWFSPES-DCBWTQNWSA-N 1 0 312.335 4.318 20 30 DIEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@H](C)CCC#N)s2)cs1 ZINC000602511666 1038032393 /nfs/dbraw/zinc/03/23/93/1038032393.db2.gz JRPDEGUUEZXDGY-GFCCVEGCSA-N 1 0 319.499 4.252 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000602547348 1038034704 /nfs/dbraw/zinc/03/47/04/1038034704.db2.gz SSMPLMCSLGENOS-OAHLLOKOSA-N 1 0 318.424 4.259 20 30 DIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602539056 1038035399 /nfs/dbraw/zinc/03/53/99/1038035399.db2.gz ATYAOFDKNHSHOZ-FHERZECASA-N 1 0 318.486 4.095 20 30 DIEDRO COc1ccccc1C1(C[NH2+]C[C@@H](C)CCC#N)CCCC1 ZINC000602529956 1038036260 /nfs/dbraw/zinc/03/62/60/1038036260.db2.gz RGOMEPQGRYDLAX-INIZCTEOSA-N 1 0 300.446 4.036 20 30 DIEDRO COc1ccccc1C1(C[NH2+]C[C@H](C)CCC#N)CCCC1 ZINC000602529957 1038036862 /nfs/dbraw/zinc/03/68/62/1038036862.db2.gz RGOMEPQGRYDLAX-MRXNPFEDSA-N 1 0 300.446 4.036 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000398955720 1038037196 /nfs/dbraw/zinc/03/71/96/1038037196.db2.gz HXVGAXQJMHOBNH-UHFFFAOYSA-N 1 0 304.315 4.061 20 30 DIEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000602535654 1038038262 /nfs/dbraw/zinc/03/82/62/1038038262.db2.gz WIDUPDOBQGALOM-SFHVURJKSA-N 1 0 313.445 4.084 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(-c2ccncc2)cc1 ZINC000602572162 1038039490 /nfs/dbraw/zinc/03/94/90/1038039490.db2.gz YJRFGZWBKRCPHS-LSWWBPAMSA-N 1 0 305.425 4.482 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000602569734 1038040352 /nfs/dbraw/zinc/04/03/52/1038040352.db2.gz RLRJQLFJBOUWFQ-ZIAGYGMSSA-N 1 0 304.409 4.205 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(-c2ccncc2)cc1 ZINC000602572163 1038040537 /nfs/dbraw/zinc/04/05/37/1038040537.db2.gz YJRFGZWBKRCPHS-SHPPYHEDSA-N 1 0 305.425 4.482 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000602567647 1038041431 /nfs/dbraw/zinc/04/14/31/1038041431.db2.gz IZSNGMYPYUYTPW-RDTXWAMCSA-N 1 0 313.832 4.354 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)n1 ZINC000602576064 1038043984 /nfs/dbraw/zinc/04/39/84/1038043984.db2.gz LIXPYOOPRUHHRR-LJQANCHMSA-N 1 0 309.388 4.113 20 30 DIEDRO Cn1c(C[NH2+][C@H](CCC#N)c2ccccc2)cc2ccccc21 ZINC000602579589 1038048450 /nfs/dbraw/zinc/04/84/50/1038048450.db2.gz BCVTYRNQEXHPRS-LJQANCHMSA-N 1 0 303.409 4.313 20 30 DIEDRO N#CC1CCC([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000602641503 1038054122 /nfs/dbraw/zinc/05/41/22/1038054122.db2.gz BGZDPBPWGUEZKL-UHFFFAOYSA-N 1 0 306.812 4.339 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000602652375 1038055439 /nfs/dbraw/zinc/05/54/39/1038055439.db2.gz XPDZNJSSPMRRES-RDTXWAMCSA-N 1 0 306.400 4.488 20 30 DIEDRO C[C@@H](CCC#N)C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000602657950 1038061696 /nfs/dbraw/zinc/06/16/96/1038061696.db2.gz VCHLHTZNCFYLSD-SFHVURJKSA-N 1 0 307.441 4.066 20 30 DIEDRO CCC[N@H+](C[C@@H](C)CCC#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000602654462 1038062029 /nfs/dbraw/zinc/06/20/29/1038062029.db2.gz UOXHFQQVKANESL-IRXDYDNUSA-N 1 0 315.461 4.056 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc2sccc2c1 ZINC000602669259 1038063275 /nfs/dbraw/zinc/06/32/75/1038063275.db2.gz HVKCOEPFVTZIDJ-AWEZNQCLSA-N 1 0 314.454 4.090 20 30 DIEDRO COc1cc(C[C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)ccn1 ZINC000602669589 1038064958 /nfs/dbraw/zinc/06/49/58/1038064958.db2.gz KKIOGQJFRZWSFR-LPHOPBHVSA-N 1 0 323.440 4.046 20 30 DIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NCc1cccc(C#N)n1 ZINC000602664128 1038065467 /nfs/dbraw/zinc/06/54/67/1038065467.db2.gz SMLBWWIRMDSJRK-UHFFFAOYSA-N 1 0 320.440 4.254 20 30 DIEDRO 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/nfs/dbraw/zinc/37/24/98/1038372498.db2.gz CKUIRUPIDADAOH-LSDHHAIUSA-N 1 0 323.396 4.138 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 ZINC000610829804 1038372680 /nfs/dbraw/zinc/37/26/80/1038372680.db2.gz MVABFNVJZFPEBY-LSDHHAIUSA-N 1 0 322.408 4.131 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000065161297 1038376997 /nfs/dbraw/zinc/37/69/97/1038376997.db2.gz PDNUXTABWBSFLQ-UHFFFAOYSA-N 1 0 308.400 4.500 20 30 DIEDRO C[C@@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)c1ccc(C#N)cc1 ZINC000538137845 1038389073 /nfs/dbraw/zinc/38/90/73/1038389073.db2.gz JEWPRAUDLOYMLF-MRXNPFEDSA-N 1 0 319.452 4.368 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000604417004 1038413375 /nfs/dbraw/zinc/41/33/75/1038413375.db2.gz WZCMWEGBWZCLGP-IBGZPJMESA-N 1 0 322.452 4.010 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000604417005 1038413858 /nfs/dbraw/zinc/41/38/58/1038413858.db2.gz WZCMWEGBWZCLGP-LJQANCHMSA-N 1 0 322.452 4.010 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)ccn1 ZINC000610991302 1038419285 /nfs/dbraw/zinc/41/92/85/1038419285.db2.gz DOAOKLDQRFGOAR-OAQYLSRUSA-N 1 0 313.404 4.444 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)c1ccc(F)cc1 ZINC000610991323 1038419661 /nfs/dbraw/zinc/41/96/61/1038419661.db2.gz FWVVSLOZWBQAIQ-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO CC[N@H+](Cc1ccnc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000610991714 1038419744 /nfs/dbraw/zinc/41/97/44/1038419744.db2.gz RXFIGCCBXUMSDT-UHFFFAOYSA-N 1 0 301.393 4.129 20 30 DIEDRO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991913 1038421103 /nfs/dbraw/zinc/42/11/03/1038421103.db2.gz WKBKDAQZFLWLQF-LLVKDONJSA-N 1 0 320.223 4.453 20 30 DIEDRO COCc1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000610993667 1038421213 /nfs/dbraw/zinc/42/12/13/1038421213.db2.gz AEYZJVQLKRNEOY-RTWAWAEBSA-N 1 0 320.436 4.105 20 30 DIEDRO CC[N@H+](Cc1ccnc(C#N)c1)[C@H](C)c1cc2ccccc2o1 ZINC000610991895 1038421283 /nfs/dbraw/zinc/42/12/83/1038421283.db2.gz VQGQCLTVRBRSEO-CQSZACIVSA-N 1 0 305.381 4.283 20 30 DIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991911 1038421962 /nfs/dbraw/zinc/42/19/62/1038421962.db2.gz WGBSZCUFGKIVGL-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000171563540 1038440572 /nfs/dbraw/zinc/44/05/72/1038440572.db2.gz GXQRHOOIRBJTSD-INIZCTEOSA-N 1 0 306.409 4.146 20 30 DIEDRO C=CC[N@@H+](CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000061800146 1038456049 /nfs/dbraw/zinc/45/60/49/1038456049.db2.gz DQEAKKUPEDCIAF-UHFFFAOYSA-N 1 0 317.454 4.344 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000604892813 1038463136 /nfs/dbraw/zinc/46/31/36/1038463136.db2.gz BMMLAXRWXISRSY-LBPRGKRZSA-N 1 0 303.837 4.197 20 30 DIEDRO CCN(CCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000538397446 1038468615 /nfs/dbraw/zinc/46/86/15/1038468615.db2.gz GAOXIJLGCZXFGJ-KRWDZBQOSA-N 1 0 307.441 4.125 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538508466 1038477637 /nfs/dbraw/zinc/47/76/37/1038477637.db2.gz NLWNHFUAMXISRG-AWEZNQCLSA-N 1 0 312.388 4.255 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(OCC#N)cc1 ZINC000171768634 1038485691 /nfs/dbraw/zinc/48/56/91/1038485691.db2.gz GLHIVQYVDZSVCB-CQSZACIVSA-N 1 0 306.365 4.186 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000171769681 1038486359 /nfs/dbraw/zinc/48/63/59/1038486359.db2.gz JZIUFMFRLXYCBT-UHFFFAOYSA-N 1 0 321.207 4.186 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000342282638 1038513823 /nfs/dbraw/zinc/51/38/23/1038513823.db2.gz GYRMAUAURGCNHI-UHFFFAOYSA-N 1 0 323.440 4.080 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157101802 1038522421 /nfs/dbraw/zinc/52/24/21/1038522421.db2.gz QMSNFVQEHKLRRM-HNNXBMFYSA-N 1 0 306.837 4.125 20 30 DIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000593930454 1038564588 /nfs/dbraw/zinc/56/45/88/1038564588.db2.gz AGQRFALDCNUYTL-MRXNPFEDSA-N 1 0 305.425 4.196 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)cc1C#N ZINC000934287847 1038578106 /nfs/dbraw/zinc/57/81/06/1038578106.db2.gz PKUZOYWRMKWNMM-LJQANCHMSA-N 1 0 307.441 4.447 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000119883525 1038594456 /nfs/dbraw/zinc/59/44/56/1038594456.db2.gz OQQWQFSWPRMLCC-FQEVSTJZSA-N 1 0 306.409 4.198 20 30 DIEDRO CC(C)COc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000582172190 1038607811 /nfs/dbraw/zinc/60/78/11/1038607811.db2.gz SUPVUHIEFKEPCA-UHFFFAOYSA-N 1 0 320.436 4.372 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000540362958 1038616943 /nfs/dbraw/zinc/61/69/43/1038616943.db2.gz PWGDQBFIQHEQGS-HXUWFJFHSA-N 1 0 308.425 4.362 20 30 DIEDRO CSc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032033 1038622494 /nfs/dbraw/zinc/62/24/94/1038622494.db2.gz AQPDCQHGSRFYGX-UHFFFAOYSA-N 1 0 308.450 4.449 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCCc2nccs2)cc1Cl ZINC000076892862 1038651586 /nfs/dbraw/zinc/65/15/86/1038651586.db2.gz JGXCKAPOTZXQOJ-UHFFFAOYSA-N 1 0 322.861 4.084 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccn(C)c2)cc1 ZINC000158586886 1038655944 /nfs/dbraw/zinc/65/59/44/1038655944.db2.gz JBYQKDQNJYHOIU-CQSZACIVSA-N 1 0 304.821 4.007 20 30 DIEDRO C=CC[C@H]1CC[N@H+]1Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000934462234 1038664054 /nfs/dbraw/zinc/66/40/54/1038664054.db2.gz PYWOFJUPVYEZEU-KRWDZBQOSA-N 1 0 312.388 4.047 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(CC#N)cc1)CCC2 ZINC000342736720 1038751873 /nfs/dbraw/zinc/75/18/73/1038751873.db2.gz QLTWMEVFRJUARN-KRWDZBQOSA-N 1 0 311.454 4.027 20 30 DIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000063508038 1038756392 /nfs/dbraw/zinc/75/63/92/1038756392.db2.gz RJGQAIVAQIWELI-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000657530758 1038764979 /nfs/dbraw/zinc/76/49/79/1038764979.db2.gz SSAWJBXLKGAQEB-GHMZBOCLSA-N 1 0 304.381 4.386 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000657531133 1038765238 /nfs/dbraw/zinc/76/52/38/1038765238.db2.gz XFWCYOPKALAXKU-GDBMZVCRSA-N 1 0 313.470 4.430 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000657528982 1038765714 /nfs/dbraw/zinc/76/57/14/1038765714.db2.gz OLHAZODANIXAEU-ZBFHGGJFSA-N 1 0 313.470 4.430 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000657530761 1038765754 /nfs/dbraw/zinc/76/57/54/1038765754.db2.gz SSAWJBXLKGAQEB-WDEREUQCSA-N 1 0 304.381 4.386 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(Oc2cnccn2)cc1)c1ccccc1 ZINC000608383790 1038838199 /nfs/dbraw/zinc/83/81/99/1038838199.db2.gz AYNUWBVWULDXCY-UHFFFAOYSA-N 1 0 317.392 4.072 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2oc3ccccc3c2C)cc1C#N ZINC000174279967 1038914440 /nfs/dbraw/zinc/91/44/40/1038914440.db2.gz ITOKENPVFVTNRW-CQSZACIVSA-N 1 0 320.392 4.472 20 30 DIEDRO COc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1C#N ZINC000174335636 1038924805 /nfs/dbraw/zinc/92/48/05/1038924805.db2.gz YWCFLLYJFQXPDW-UHFFFAOYSA-N 1 0 324.399 4.265 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(Cl)cc2Cl)CCOCC1 ZINC000657632510 1038927239 /nfs/dbraw/zinc/92/72/39/1038927239.db2.gz IWIGVDPXYUXFEW-UHFFFAOYSA-N 1 0 300.229 4.208 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(C(F)(F)F)cc2C)CCOCC1 ZINC000657633771 1038929702 /nfs/dbraw/zinc/92/97/02/1038929702.db2.gz WNZVUAKUNBWIBI-UHFFFAOYSA-N 1 0 313.363 4.229 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(-c3ccccc3F)o2)CCOCC1 ZINC000657632862 1038931600 /nfs/dbraw/zinc/93/16/00/1038931600.db2.gz OULCOYOBTJFYCS-UHFFFAOYSA-N 1 0 315.388 4.301 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000534329293 1039026735 /nfs/dbraw/zinc/02/67/35/1039026735.db2.gz XTEBBPPTMOMSMP-CYBMUJFWSA-N 1 0 310.844 4.170 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001167640429 1039039951 /nfs/dbraw/zinc/03/99/51/1039039951.db2.gz ASHRQTVZFAVFRJ-SFHVURJKSA-N 1 0 316.489 4.099 20 30 DIEDRO COc1c(C)cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1C ZINC000442690070 1039122789 /nfs/dbraw/zinc/12/27/89/1039122789.db2.gz VDZWNEGFIUJWCD-MRXNPFEDSA-N 1 0 308.425 4.377 20 30 DIEDRO C=CCc1cc(C[N@H+](Cc2ccco2)C(C)C)cc(OC)c1O ZINC000349836747 1039165079 /nfs/dbraw/zinc/16/50/79/1039165079.db2.gz BVRRITARGMSEFI-UHFFFAOYSA-N 1 0 315.413 4.133 20 30 DIEDRO N#Cc1ccc(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)o1 ZINC000539469615 1039269062 /nfs/dbraw/zinc/26/90/62/1039269062.db2.gz RQVSSSJLZNGLSD-UHFFFAOYSA-N 1 0 316.404 4.095 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccc(C#N)cc1 ZINC000278206732 1039282827 /nfs/dbraw/zinc/28/28/27/1039282827.db2.gz HDIIMCOYMUZCMY-LJQANCHMSA-N 1 0 322.456 4.040 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccsc2)cc1OC ZINC000669830919 1039293795 /nfs/dbraw/zinc/29/37/95/1039293795.db2.gz CKORYJCNDUVMMI-CYBMUJFWSA-N 1 0 303.427 4.172 20 30 DIEDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000539608438 1039297338 /nfs/dbraw/zinc/29/73/38/1039297338.db2.gz LGCOKVNQMUCXMQ-ZDUSSCGKSA-N 1 0 300.352 4.120 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000539610099 1039298160 /nfs/dbraw/zinc/29/81/60/1039298160.db2.gz PUAGUQJPERWVOS-OCCSQVGLSA-N 1 0 300.377 4.271 20 30 DIEDRO Cc1ccc(OCCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000539610156 1039298615 /nfs/dbraw/zinc/29/86/15/1039298615.db2.gz SXWNSCOHCCUCNA-OAHLLOKOSA-N 1 0 312.388 4.126 20 30 DIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000539610873 1039300240 /nfs/dbraw/zinc/30/02/40/1039300240.db2.gz FZKFPBSPKPEKGW-ZIAGYGMSSA-N 1 0 312.388 4.075 20 30 DIEDRO C=CCc1cc(C[N@@H+](C)[C@H](C)CCSCC)cc(OC)c1O ZINC000539825933 1039351794 /nfs/dbraw/zinc/35/17/94/1039351794.db2.gz XYUOLHNPUFSXCB-CQSZACIVSA-N 1 0 323.502 4.093 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)o1 ZINC000539825173 1039354247 /nfs/dbraw/zinc/35/42/47/1039354247.db2.gz NBOJKHMAPYVBDT-HXUWFJFHSA-N 1 0 306.409 4.021 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000278290102 1039355897 /nfs/dbraw/zinc/35/58/97/1039355897.db2.gz RANLGTPXOPFKRR-OAQYLSRUSA-N 1 0 319.452 4.399 20 30 DIEDRO CSc1cccc(F)c1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000583594591 1039391496 /nfs/dbraw/zinc/39/14/96/1039391496.db2.gz CVSQETSXWHZNSR-KRWDZBQOSA-N 1 0 312.413 4.196 20 30 DIEDRO CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926513520 1039396249 /nfs/dbraw/zinc/39/62/49/1039396249.db2.gz WEPNKQLZJMHCBD-ZOBUZTSGSA-N 1 0 302.487 4.402 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647308549 1039455988 /nfs/dbraw/zinc/45/59/88/1039455988.db2.gz RHMCONDMCQHECQ-SJLPKXTDSA-N 1 0 309.457 4.057 20 30 DIEDRO CN(Cc1cccc(C#N)c1)Cc1c(Cl)ccc2cccnc21 ZINC000052580239 1039456317 /nfs/dbraw/zinc/45/63/17/1039456317.db2.gz JFYVRDVWTGYMFL-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647308547 1039456843 /nfs/dbraw/zinc/45/68/43/1039456843.db2.gz RHMCONDMCQHECQ-AEFFLSMTSA-N 1 0 309.457 4.057 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000540297634 1039470225 /nfs/dbraw/zinc/47/02/25/1039470225.db2.gz RFKJGFGYBOXIKU-OAHLLOKOSA-N 1 0 318.436 4.221 20 30 DIEDRO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000157839600 1039474713 /nfs/dbraw/zinc/47/47/13/1039474713.db2.gz SUMPFLHVLFDXOJ-HNNXBMFYSA-N 1 0 313.470 4.291 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)c1 ZINC000540376604 1039483059 /nfs/dbraw/zinc/48/30/59/1039483059.db2.gz NLYAIBNWTGJZBO-INIZCTEOSA-N 1 0 324.424 4.077 20 30 DIEDRO C=CC[N@@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccccc1 ZINC000540507351 1039506407 /nfs/dbraw/zinc/50/64/07/1039506407.db2.gz MLYHPKFUMJUQTF-UHFFFAOYSA-N 1 0 323.465 4.337 20 30 DIEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000317936845 1039508449 /nfs/dbraw/zinc/50/84/49/1039508449.db2.gz OCDWTEFENSZSQP-ZYSHUDEJSA-N 1 0 300.446 4.454 20 30 DIEDRO CSCc1cc(F)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000540595517 1039523935 /nfs/dbraw/zinc/52/39/35/1039523935.db2.gz XJVUMHFAGFXXFC-CYBMUJFWSA-N 1 0 314.429 4.411 20 30 DIEDRO Cc1ccc(CSCC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000540597428 1039524158 /nfs/dbraw/zinc/52/41/58/1039524158.db2.gz NXSVVUMQZGZNOD-INIZCTEOSA-N 1 0 310.466 4.451 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000540608474 1039527727 /nfs/dbraw/zinc/52/77/27/1039527727.db2.gz JOMZGCOCAXSSCC-LPMFXHHGSA-N 1 0 312.388 4.124 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000540606805 1039527868 /nfs/dbraw/zinc/52/78/68/1039527868.db2.gz QATHAGZGORRMDH-UONOGXRCSA-N 1 0 306.406 4.389 20 30 DIEDRO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000540665035 1039540533 /nfs/dbraw/zinc/54/05/33/1039540533.db2.gz FNEFNOHKTDFOFO-KRWDZBQOSA-N 1 0 310.445 4.040 20 30 DIEDRO Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540708470 1039545347 /nfs/dbraw/zinc/54/53/47/1039545347.db2.gz WWKKIHTUZMLZFT-CABCVRRESA-N 1 0 312.388 4.124 20 30 DIEDRO Cc1cccc(C)c1OCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540710829 1039552465 /nfs/dbraw/zinc/55/24/65/1039552465.db2.gz KRCZOKCSWOAFKP-HNNXBMFYSA-N 1 0 312.388 4.044 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000657817060 1039553544 /nfs/dbraw/zinc/55/35/44/1039553544.db2.gz MKSOUEOKJCIOHW-MSOLQXFVSA-N 1 0 314.473 4.275 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)C1 ZINC000657819862 1039570421 /nfs/dbraw/zinc/57/04/21/1039570421.db2.gz UMGGDRHNJVZFCL-LSDHHAIUSA-N 1 0 312.413 4.185 20 30 DIEDRO COc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000584092286 1039598246 /nfs/dbraw/zinc/59/82/46/1039598246.db2.gz MFJHLZVPDPKRLH-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000540968527 1039599669 /nfs/dbraw/zinc/59/96/69/1039599669.db2.gz SNYXCVLRNDSCGB-LBPRGKRZSA-N 1 0 301.402 4.166 20 30 DIEDRO Cc1cc(OCC[NH+]2CCC(CC#N)CC2)ccc1C(C)C ZINC000541023374 1039610328 /nfs/dbraw/zinc/61/03/28/1039610328.db2.gz PNOAXVXKXCGVEF-UHFFFAOYSA-N 1 0 300.446 4.123 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000278644180 1039617808 /nfs/dbraw/zinc/61/78/08/1039617808.db2.gz HTJABMHEKRHDPK-MSOLQXFVSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807098 1039618428 /nfs/dbraw/zinc/61/84/28/1039618428.db2.gz DTALRYYEIBDLJC-QRWLVFNGSA-N 1 0 306.409 4.055 20 30 DIEDRO CCOCCC1(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)CCC1 ZINC000278652538 1039624095 /nfs/dbraw/zinc/62/40/95/1039624095.db2.gz IFSORVAZPULEHQ-SFHVURJKSA-N 1 0 300.446 4.196 20 30 DIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000541153182 1039626480 /nfs/dbraw/zinc/62/64/80/1039626480.db2.gz GKWVCVVBGINCLL-CABCVRRESA-N 1 0 318.424 4.106 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000541282730 1039658201 /nfs/dbraw/zinc/65/82/01/1039658201.db2.gz RSTSTQQKEZJQNX-OAQYLSRUSA-N 1 0 304.437 4.350 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278705208 1039663065 /nfs/dbraw/zinc/66/30/65/1039663065.db2.gz LFKAWILNBCFUIB-DQLDELGASA-N 1 0 322.452 4.154 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC000541554433 1039704296 /nfs/dbraw/zinc/70/42/96/1039704296.db2.gz FULPLKFLUMWUHY-SCLBCKFNSA-N 1 0 312.438 4.211 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CCCCC(C)(C)C#N ZINC000318234338 1039726296 /nfs/dbraw/zinc/72/62/96/1039726296.db2.gz FOOSLSFOFXEGHJ-MRXNPFEDSA-N 1 0 302.462 4.278 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000541764967 1039739775 /nfs/dbraw/zinc/73/97/75/1039739775.db2.gz OAIMMVDVKUPQMI-UHFFFAOYSA-N 1 0 321.346 4.042 20 30 DIEDRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271719560 1039782167 /nfs/dbraw/zinc/78/21/67/1039782167.db2.gz XLRSVTLPZNBJQL-CQSZACIVSA-N 1 0 322.408 4.010 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000542104312 1039791853 /nfs/dbraw/zinc/79/18/53/1039791853.db2.gz POXLHASYLZYCBQ-RTBURBONSA-N 1 0 310.466 4.452 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000542104210 1039792488 /nfs/dbraw/zinc/79/24/88/1039792488.db2.gz POXLHASYLZYCBQ-OALUTQOASA-N 1 0 310.466 4.452 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000596097406 1039821279 /nfs/dbraw/zinc/82/12/79/1039821279.db2.gz NTMNYRLTHWIYJO-SNVBAGLBSA-N 1 0 302.315 4.327 20 30 DIEDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2cccc(C#N)c2)C2CC2)o1 ZINC000030152232 1039873041 /nfs/dbraw/zinc/87/30/41/1039873041.db2.gz KNRLOFUIYRAUQV-IFXJQAMLSA-N 1 0 306.409 4.439 20 30 DIEDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611870459 1039875958 /nfs/dbraw/zinc/87/59/58/1039875958.db2.gz OGSTWAATQXVDMR-IRXDYDNUSA-N 1 0 322.452 4.427 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(Br)c2cccnc12 ZINC000491875572 1039888490 /nfs/dbraw/zinc/88/84/90/1039888490.db2.gz KOBAPUJMGSXQNY-UHFFFAOYSA-N 1 0 319.246 4.395 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271920312 1039889801 /nfs/dbraw/zinc/88/98/01/1039889801.db2.gz HRANHRGDMITVAK-HNNXBMFYSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271920314 1039893092 /nfs/dbraw/zinc/89/30/92/1039893092.db2.gz HRANHRGDMITVAK-OAHLLOKOSA-N 1 0 323.415 4.017 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271923955 1039897539 /nfs/dbraw/zinc/89/75/39/1039897539.db2.gz IPTSXTRDCJBKRO-NWDGAFQWSA-N 1 0 316.351 4.257 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000271978945 1039948819 /nfs/dbraw/zinc/94/88/19/1039948819.db2.gz WNGZUPLFHQUEGT-RDTXWAMCSA-N 1 0 311.404 4.449 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(Cl)cc2Cl)ccc1C#N ZINC000443971933 1039985013 /nfs/dbraw/zinc/98/50/13/1039985013.db2.gz LCXKQAZAHMYMIL-UHFFFAOYSA-N 1 0 305.208 4.463 20 30 DIEDRO Cc1cc(C[NH2+]CCCc2c[nH]c3ccccc23)ccc1C#N ZINC000443972058 1039986035 /nfs/dbraw/zinc/98/60/35/1039986035.db2.gz WENROTKMHNIQHV-UHFFFAOYSA-N 1 0 303.409 4.070 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)ccc1C#N ZINC000443973116 1039986267 /nfs/dbraw/zinc/98/62/67/1039986267.db2.gz YBQVEPVELFJRQA-KRWDZBQOSA-N 1 0 312.800 4.134 20 30 DIEDRO Cc1cc(CNc2cccc(CC[N@@H+](C)C3CC3)c2)ccc1C#N ZINC000443987213 1039998619 /nfs/dbraw/zinc/99/86/19/1039998619.db2.gz KINIZYGDUQHHQN-UHFFFAOYSA-N 1 0 319.452 4.116 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)ccc1C#N ZINC000443986931 1039999589 /nfs/dbraw/zinc/99/95/89/1039999589.db2.gz GOPQDTYXQLFZEO-UXHICEINSA-N 1 0 324.399 4.016 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)ccc1C#N ZINC000443998872 1040009464 /nfs/dbraw/zinc/00/94/64/1040009464.db2.gz AACIBWUBWOMJMS-RBZFPXEDSA-N 1 0 308.400 4.419 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000685455919 1040058987 /nfs/dbraw/zinc/05/89/87/1040058987.db2.gz BEXLPFWJAQJCSL-UHFFFAOYSA-N 1 0 308.425 4.026 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000611967404 1040136883 /nfs/dbraw/zinc/13/68/83/1040136883.db2.gz HVFSIYQCUXPXPP-ZDUSSCGKSA-N 1 0 314.429 4.140 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000177907597 1040144342 /nfs/dbraw/zinc/14/43/42/1040144342.db2.gz BNWDOKIVCASPFN-CQSZACIVSA-N 1 0 322.880 4.040 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000657929667 1040183736 /nfs/dbraw/zinc/18/37/36/1040183736.db2.gz UEKRTRLXEQRDNO-BRWVUGGUSA-N 1 0 309.519 4.156 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000657929458 1040184383 /nfs/dbraw/zinc/18/43/83/1040184383.db2.gz HSZFMJYRWDFNOS-DOTOQJQBSA-N 1 0 311.429 4.004 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000658058569 1040281694 /nfs/dbraw/zinc/28/16/94/1040281694.db2.gz CLJTXNZXIOVCQK-POZUXBRTSA-N 1 0 300.446 4.431 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000658061419 1040284604 /nfs/dbraw/zinc/28/46/04/1040284604.db2.gz TWEPLQDKZHQUBA-KYJSFNMBSA-N 1 0 312.461 4.132 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000658059568 1040284618 /nfs/dbraw/zinc/28/46/18/1040284618.db2.gz JILMZMLKBCEVKP-AEFFLSMTSA-N 1 0 320.521 4.138 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000658062387 1040287208 /nfs/dbraw/zinc/28/72/08/1040287208.db2.gz ZILAPCCNFIITTF-SUMDDJOVSA-N 1 0 314.473 4.174 20 30 DIEDRO C=CCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000658113219 1040307931 /nfs/dbraw/zinc/30/79/31/1040307931.db2.gz FHFFJCIZBQAXSL-INIZCTEOSA-N 1 0 324.262 4.083 20 30 DIEDRO C=CCC[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000658115846 1040309004 /nfs/dbraw/zinc/30/90/04/1040309004.db2.gz DXAIZIVUVJSFIV-MRXNPFEDSA-N 1 0 321.424 4.140 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000658209071 1040357842 /nfs/dbraw/zinc/35/78/42/1040357842.db2.gz BIUQVCWPRQBEBT-LBPRGKRZSA-N 1 0 322.499 4.423 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2OC)no1 ZINC000658357652 1040436026 /nfs/dbraw/zinc/43/60/26/1040436026.db2.gz QPEKDRGXXLFHSW-ZIAGYGMSSA-N 1 0 300.402 4.041 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(-c2ccccc2OC)no1)C1CC1 ZINC000658358095 1040438157 /nfs/dbraw/zinc/43/81/57/1040438157.db2.gz SRABIWAFZKASTL-KRWDZBQOSA-N 1 0 312.413 4.185 20 30 DIEDRO CC[N@H+](Cc1cnc2ccc(C)cn12)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464712 1040464965 /nfs/dbraw/zinc/46/49/65/1040464965.db2.gz JVXCMNPSLUHKES-INIZCTEOSA-N 1 0 318.424 4.098 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(C#N)cc1OC ZINC000179742989 1040526772 /nfs/dbraw/zinc/52/67/72/1040526772.db2.gz ZUPMUVUWYSRWKP-SFHVURJKSA-N 1 0 324.424 4.206 20 30 DIEDRO N#Cc1cccc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000364738260 1040559593 /nfs/dbraw/zinc/55/95/93/1040559593.db2.gz HZZYPNBKAOVFMW-LJQANCHMSA-N 1 0 320.440 4.037 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCNc1cccc(F)c1 ZINC000612422711 1040589496 /nfs/dbraw/zinc/58/94/96/1040589496.db2.gz FAGCMDALRPUXPP-HXUWFJFHSA-N 1 0 323.415 4.167 20 30 DIEDRO Cc1csc([C@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000612574226 1040645124 /nfs/dbraw/zinc/64/51/24/1040645124.db2.gz JYDGYCMHDPSFKM-SJKOYZFVSA-N 1 0 311.454 4.094 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000180031055 1040706233 /nfs/dbraw/zinc/70/62/33/1040706233.db2.gz GHVQLOPTGWDUCG-UHFFFAOYSA-N 1 0 301.393 4.204 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000538257157 1040769024 /nfs/dbraw/zinc/76/90/24/1040769024.db2.gz GWRIMQDIRSYOJG-OAHLLOKOSA-N 1 0 313.363 4.001 20 30 DIEDRO CO[C@@H](C)C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C(C)C ZINC000580502403 1040816599 /nfs/dbraw/zinc/81/65/99/1040816599.db2.gz UBULGFZSLHKHSZ-KRWDZBQOSA-N 1 0 322.452 4.471 20 30 DIEDRO CC(C)(CCCc1ccccc1)C[NH2+]Cc1nc(C#N)cs1 ZINC000581280707 1040849678 /nfs/dbraw/zinc/84/96/78/1040849678.db2.gz XLBMUKGKOWRRJQ-UHFFFAOYSA-N 1 0 313.470 4.153 20 30 DIEDRO C#CCCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000178057219 1040887439 /nfs/dbraw/zinc/88/74/39/1040887439.db2.gz HHAWTFIIBOKUPK-HNNXBMFYSA-N 1 0 314.429 4.330 20 30 DIEDRO C#CCCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000178061415 1040888812 /nfs/dbraw/zinc/88/88/12/1040888812.db2.gz FPRZNGVMVOSKER-OAHLLOKOSA-N 1 0 314.429 4.330 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000414155161 1040930385 /nfs/dbraw/zinc/93/03/85/1040930385.db2.gz MRTGVMKQMGWWRG-KKSFZXQISA-N 1 0 319.452 4.332 20 30 DIEDRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC(C)(C)CC#N)cc1F ZINC000414168249 1040946668 /nfs/dbraw/zinc/94/66/68/1040946668.db2.gz QKENSJKIRNURDZ-RDJZCZTQSA-N 1 0 318.436 4.390 20 30 DIEDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(C)(C)CC#N)oc21 ZINC000414174964 1040954837 /nfs/dbraw/zinc/95/48/37/1040954837.db2.gz YPIMSIFKRGMGCV-ZDUSSCGKSA-N 1 0 300.402 4.422 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC(C(F)F)CC1 ZINC000414182597 1040965801 /nfs/dbraw/zinc/96/58/01/1040965801.db2.gz MYMSAEQXPPPWTA-PUJMQQBBSA-N 1 0 304.384 4.349 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000174724257 1041003594 /nfs/dbraw/zinc/00/35/94/1041003594.db2.gz HGDIWDLUROISMA-UHFFFAOYSA-N 1 0 308.425 4.012 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)CC(F)(F)F ZINC000414271346 1041064673 /nfs/dbraw/zinc/06/46/73/1041064673.db2.gz WJXPBKJAVQJCSO-WDEREUQCSA-N 1 0 302.315 4.327 20 30 DIEDRO C=C(C[NH2+][C@H](c1ccccc1)C1CCOCC1)c1ccccc1 ZINC000782763238 1041069980 /nfs/dbraw/zinc/06/99/80/1041069980.db2.gz ZJTYAXJSLKFLQJ-OAQYLSRUSA-N 1 0 307.437 4.457 20 30 DIEDRO C=C(C[NH2+][C@@H](c1ccccc1)C1CCOCC1)c1ccccc1 ZINC000782763188 1041070196 /nfs/dbraw/zinc/07/01/96/1041070196.db2.gz ZJTYAXJSLKFLQJ-NRFANRHFSA-N 1 0 307.437 4.457 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000414310553 1041108907 /nfs/dbraw/zinc/10/89/07/1041108907.db2.gz WHKOIFAHASYKNO-OXJNMPFZSA-N 1 0 322.452 4.483 20 30 DIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000414344342 1041147254 /nfs/dbraw/zinc/14/72/54/1041147254.db2.gz RJHABZBYOGOQCI-AXHNFQJDSA-N 1 0 324.399 4.160 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000180542189 1041166691 /nfs/dbraw/zinc/16/66/91/1041166691.db2.gz ONENZOPMQIWUPU-IKGGRYGDSA-N 1 0 308.425 4.432 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C(C)(C)c1ccccc1 ZINC000180549356 1041169063 /nfs/dbraw/zinc/16/90/63/1041169063.db2.gz DZTUSWHASQEREW-INIZCTEOSA-N 1 0 308.425 4.045 20 30 DIEDRO C#Cc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000809559308 1041191370 /nfs/dbraw/zinc/19/13/70/1041191370.db2.gz MPRKICAKGNVPED-VXKWHMMOSA-N 1 0 319.448 4.268 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000809594485 1041196919 /nfs/dbraw/zinc/19/69/19/1041196919.db2.gz XNXXDDWIKJFEJH-VQTJNVASSA-N 1 0 323.436 4.129 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000809625121 1041204595 /nfs/dbraw/zinc/20/45/95/1041204595.db2.gz XZHPVCJSRKINPX-UHFFFAOYSA-N 1 0 304.418 4.081 20 30 DIEDRO CC[C@H](CC#N)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809641362 1041208864 /nfs/dbraw/zinc/20/88/64/1041208864.db2.gz YJRLDBZSHWRVDW-HXUWFJFHSA-N 1 0 319.452 4.031 20 30 DIEDRO C#Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000809643155 1041210147 /nfs/dbraw/zinc/21/01/47/1041210147.db2.gz ODIWLYKWXYTKIS-KRWDZBQOSA-N 1 0 303.327 4.104 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCSCC1)c1ccc(Cl)cc1F ZINC000809699542 1041218982 /nfs/dbraw/zinc/21/89/82/1041218982.db2.gz POWALLXMGACZAR-MEDUHNTESA-N 1 0 311.853 4.275 20 30 DIEDRO N#Cc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)s1 ZINC000176940367 1041222101 /nfs/dbraw/zinc/22/21/01/1041222101.db2.gz XLCBZPHPDSFYLU-UHFFFAOYSA-N 1 0 304.418 4.499 20 30 DIEDRO Fc1cc(C(F)(F)F)c(F)cc1C[NH2+]C1CC(C(F)F)C1 ZINC000809769305 1041235711 /nfs/dbraw/zinc/23/57/11/1041235711.db2.gz DGSHKULSJBXBCF-UHFFFAOYSA-N 1 0 315.232 4.117 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](C)[C@@H](CC)c2ccncc2)cc1 ZINC000809765096 1041250198 /nfs/dbraw/zinc/25/01/98/1041250198.db2.gz KXHDYXYSEOOOED-FQEVSTJZSA-N 1 0 308.425 4.067 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl)C(C)(C)C ZINC000809781222 1041253868 /nfs/dbraw/zinc/25/38/68/1041253868.db2.gz JPTXRKSHSPYFFR-XJKSGUPXSA-N 1 0 320.864 4.003 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C)C(C)(C)C ZINC000809781680 1041254699 /nfs/dbraw/zinc/25/46/99/1041254699.db2.gz XOKGINIPGJHWAK-CJNGLKHVSA-N 1 0 320.864 4.003 20 30 DIEDRO C[C@H](Nc1cc(C[NH+]2CCCCC2)ccn1)c1cccc(C#N)c1 ZINC001167707150 1041264024 /nfs/dbraw/zinc/26/40/24/1041264024.db2.gz GZABXAIARVOXRD-INIZCTEOSA-N 1 0 320.440 4.112 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000189347025 1041305587 /nfs/dbraw/zinc/30/55/87/1041305587.db2.gz VTCQCVULDURXGL-ZDUSSCGKSA-N 1 0 316.351 4.353 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000926810177 1041310169 /nfs/dbraw/zinc/31/01/69/1041310169.db2.gz RMFOFUFEEGRTKQ-XKQJLSEDSA-N 1 0 320.864 4.478 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000810259686 1041349634 /nfs/dbraw/zinc/34/96/34/1041349634.db2.gz PKMLNJNSXKGRCO-KSSFIOAISA-N 1 0 323.864 4.020 20 30 DIEDRO CCOCOc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000782965069 1041355620 /nfs/dbraw/zinc/35/56/20/1041355620.db2.gz VSKYPGSLNVHGAX-FQEVSTJZSA-N 1 0 324.424 4.194 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CCC(CC)CC2)c1 ZINC000236646321 1041408673 /nfs/dbraw/zinc/40/86/73/1041408673.db2.gz BRKRGTBNLGTIKC-VJFUWPCTSA-N 1 0 300.446 4.426 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000613667780 1041419877 /nfs/dbraw/zinc/41/98/77/1041419877.db2.gz REUWRNNBOGUGEX-XFQXTVEOSA-N 1 0 306.409 4.066 20 30 DIEDRO N#CCCCC[NH2+][C@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1 ZINC000892929358 1041421741 /nfs/dbraw/zinc/42/17/41/1041421741.db2.gz ICVHURKLMLEAFE-BBRMVZONSA-N 1 0 310.363 4.414 20 30 DIEDRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000341041815 1041447192 /nfs/dbraw/zinc/44/71/92/1041447192.db2.gz OZLYSRPOMDRDQT-LJQANCHMSA-N 1 0 321.424 4.018 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)c2cccc(F)c2)cc1 ZINC000728711493 1041471839 /nfs/dbraw/zinc/47/18/39/1041471839.db2.gz BDQPSXAVPVGGMR-CABCVRRESA-N 1 0 312.388 4.010 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cc3ccccc3s2)cc1 ZINC000728712048 1041478144 /nfs/dbraw/zinc/47/81/44/1041478144.db2.gz UGGYXGIRWUCONB-AWEZNQCLSA-N 1 0 322.433 4.482 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCC(C)(C)c2ccccc2)cc1 ZINC000728711896 1041478226 /nfs/dbraw/zinc/47/82/26/1041478226.db2.gz NWWMUCDWIUAZHP-QGZVFWFLSA-N 1 0 322.452 4.435 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728713139 1041479125 /nfs/dbraw/zinc/47/91/25/1041479125.db2.gz MHOLSCOABLLYOE-JKSUJKDBSA-N 1 0 324.424 4.227 20 30 DIEDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728715079 1041481049 /nfs/dbraw/zinc/48/10/49/1041481049.db2.gz GMANXEOCHCUUFF-VQIMIIECSA-N 1 0 308.425 4.088 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C1CCCCC1 ZINC000728715181 1041482634 /nfs/dbraw/zinc/48/26/34/1041482634.db2.gz OAOVLJQVYMNGSU-DNVCBOLYSA-N 1 0 300.446 4.426 20 30 DIEDRO CCCC[NH+](CCCC)CCNc1ccc(CC#N)cc1C ZINC001167734288 1041545663 /nfs/dbraw/zinc/54/56/63/1041545663.db2.gz DIMYXBUQFMFYLR-UHFFFAOYSA-N 1 0 301.478 4.375 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(C(F)F)c(F)c3)CC2)c1 ZINC000893192055 1041547622 /nfs/dbraw/zinc/54/76/22/1041547622.db2.gz QUGHGSKKCOHLIY-UHFFFAOYSA-N 1 0 316.326 4.414 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)c2c(n1)CCCC2 ZINC000893194842 1041549479 /nfs/dbraw/zinc/54/94/79/1041549479.db2.gz MLYGAVMXFLUBBH-FQEVSTJZSA-N 1 0 319.452 4.404 20 30 DIEDRO CC[N@H+](Cc1cn2cc(C)ccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000120249463 1041560891 /nfs/dbraw/zinc/56/08/91/1041560891.db2.gz BWXNIMXRMJQODT-MRXNPFEDSA-N 1 0 318.424 4.098 20 30 DIEDRO CC1(C)CN(Cc2ccc(C#N)c(F)c2)CC[C@H]1C(F)(F)F ZINC000190192213 1041580815 /nfs/dbraw/zinc/58/08/15/1041580815.db2.gz WQDSHKKKISXJDH-CQSZACIVSA-N 1 0 314.326 4.108 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001170650699 1041583077 /nfs/dbraw/zinc/58/30/77/1041583077.db2.gz PPZNYIPKZOQUME-CLCXKQKWSA-N 1 0 308.400 4.464 20 30 DIEDRO CC(C)(C)C1CC[NH+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141109456 1041595788 /nfs/dbraw/zinc/59/57/88/1041595788.db2.gz RLPWYDYVYXCPSP-UHFFFAOYSA-N 1 0 311.882 4.113 20 30 DIEDRO C(=[NH+]OC1CCC1)c1cc2ccccc2nc1N1CCCCC1 ZINC000812235667 1041604499 /nfs/dbraw/zinc/60/44/99/1041604499.db2.gz MQDCQYLZVUBZMO-UHFFFAOYSA-N 1 0 309.413 4.128 20 30 DIEDRO Cc1cc(F)ccc1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001170680732 1041631500 /nfs/dbraw/zinc/63/15/00/1041631500.db2.gz HWCGILPAWDBWDB-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000236691051 1041640598 /nfs/dbraw/zinc/64/05/98/1041640598.db2.gz IVZJXLKXHJEBMG-MRXNPFEDSA-N 1 0 308.425 4.444 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000812724417 1041641559 /nfs/dbraw/zinc/64/15/59/1041641559.db2.gz CLKFUAMUKFLSKP-CYBMUJFWSA-N 1 0 302.418 4.403 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2cnc(C3CCCC3)s2)c1 ZINC000341486363 1041653434 /nfs/dbraw/zinc/65/34/34/1041653434.db2.gz NPTSYQQMMFYSCM-UHFFFAOYSA-N 1 0 311.454 4.005 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000812840300 1041655156 /nfs/dbraw/zinc/65/51/56/1041655156.db2.gz ABRATKQLKSSAEW-QGZVFWFLSA-N 1 0 316.489 4.389 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000812842367 1041655401 /nfs/dbraw/zinc/65/54/01/1041655401.db2.gz IZPZHVQGFCCFHD-KRWDZBQOSA-N 1 0 315.505 4.056 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000417363460 1041664482 /nfs/dbraw/zinc/66/44/82/1041664482.db2.gz KQNFPMJBWJSAEG-LHSJRXKWSA-N 1 0 318.420 4.317 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000417366869 1041665416 /nfs/dbraw/zinc/66/54/16/1041665416.db2.gz NXGONFFRPCATFQ-UXHICEINSA-N 1 0 321.399 4.211 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417367326 1041665475 /nfs/dbraw/zinc/66/54/75/1041665475.db2.gz OPUPVCXZHHTDOX-MSOLQXFVSA-N 1 0 309.388 4.211 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000417369453 1041665640 /nfs/dbraw/zinc/66/56/40/1041665640.db2.gz REQFQBYGQQHLAF-MMKMLUHNSA-N 1 0 324.468 4.121 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000417370264 1041666338 /nfs/dbraw/zinc/66/63/38/1041666338.db2.gz SFUAXHWASYEZRE-ZUOKHONESA-N 1 0 319.383 4.297 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000417370758 1041666461 /nfs/dbraw/zinc/66/64/61/1041666461.db2.gz STNBHPINGBTKNL-UXHICEINSA-N 1 0 318.420 4.308 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000417376851 1041668073 /nfs/dbraw/zinc/66/80/73/1041668073.db2.gz CLBLKIZPISMVPT-RTWAWAEBSA-N 1 0 318.420 4.221 20 30 DIEDRO CCC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000417375922 1041668097 /nfs/dbraw/zinc/66/80/97/1041668097.db2.gz ZYMVILMFNCQNSO-VQTJNVASSA-N 1 0 305.425 4.462 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000747855890 1041714288 /nfs/dbraw/zinc/71/42/88/1041714288.db2.gz CQTLESNLXMYIHH-IBGZPJMESA-N 1 0 316.514 4.074 20 30 DIEDRO N#CCCCC[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000728782376 1041715807 /nfs/dbraw/zinc/71/58/07/1041715807.db2.gz MBOJYOOSCRTELT-UHFFFAOYSA-N 1 0 312.388 4.188 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000747867042 1041727225 /nfs/dbraw/zinc/72/72/25/1041727225.db2.gz NJJUCHQJHUXJPM-CVEARBPZSA-N 1 0 313.363 4.073 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000747871940 1041728416 /nfs/dbraw/zinc/72/84/16/1041728416.db2.gz NWTSGFKZCLPWJA-JKSUJKDBSA-N 1 0 314.256 4.361 20 30 DIEDRO CCCCCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000781909961 1041729099 /nfs/dbraw/zinc/72/90/99/1041729099.db2.gz GXKHNJBQXKBQDT-GOSISDBHSA-N 1 0 303.425 4.209 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(SCC)c2)cc1 ZINC000813789979 1041732301 /nfs/dbraw/zinc/73/23/01/1041732301.db2.gz BULJEARRPRDIAC-UHFFFAOYSA-N 1 0 311.450 4.100 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2ccoc21 ZINC000418148782 1041732838 /nfs/dbraw/zinc/73/28/38/1041732838.db2.gz UBNOXDISSRLOEB-LJQANCHMSA-N 1 0 302.377 4.472 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000566624236 1041750826 /nfs/dbraw/zinc/75/08/26/1041750826.db2.gz PNLOWVJCETUCBY-CZUORRHYSA-N 1 0 308.347 4.342 20 30 DIEDRO C=CCC(C)(C)COC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000814004465 1041757926 /nfs/dbraw/zinc/75/79/26/1041757926.db2.gz RGKNLZYFHOANRZ-UHFFFAOYSA-N 1 0 315.457 4.044 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2ccc3cc(C#N)c(C#N)cc3c2)cc1 ZINC001204642473 1041758533 /nfs/dbraw/zinc/75/85/33/1041758533.db2.gz UEKPIASACPYHSI-UHFFFAOYSA-N 1 0 311.388 4.312 20 30 DIEDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc2cc(C#N)ccc2n1 ZINC000092885781 1041786659 /nfs/dbraw/zinc/78/66/59/1041786659.db2.gz KSOGWFNBSNGVGS-HNNXBMFYSA-N 1 0 310.445 4.029 20 30 DIEDRO CC1(C)Cc2cc(C[NH2+]C3(c4cccc(C#N)c4)CC3)ccc2O1 ZINC000747922964 1041791060 /nfs/dbraw/zinc/79/10/60/1041791060.db2.gz GTQVGZXXSPKAKP-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1C#N ZINC000814305292 1041804963 /nfs/dbraw/zinc/80/49/63/1041804963.db2.gz ZISLPSSQGNKPQF-IBGZPJMESA-N 1 0 319.408 4.092 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)CC2 ZINC000566789819 1041804984 /nfs/dbraw/zinc/80/49/84/1041804984.db2.gz KPTSSCSHVOADGH-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CCC1 ZINC001167765562 1041815404 /nfs/dbraw/zinc/81/54/04/1041815404.db2.gz GAPMHZWNDWHZKD-IBGZPJMESA-N 1 0 311.473 4.427 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814658340 1041845601 /nfs/dbraw/zinc/84/56/01/1041845601.db2.gz ZXYRXOVLBONYKN-CVEARBPZSA-N 1 0 316.445 4.429 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814659406 1041845869 /nfs/dbraw/zinc/84/58/69/1041845869.db2.gz NFSRPDZMVUYQBF-CABCVRRESA-N 1 0 302.418 4.039 20 30 DIEDRO CC(=NNc1ccc2ccccc2n1)c1cccc(C[NH+](C)C)c1 ZINC000814697453 1041852399 /nfs/dbraw/zinc/85/23/99/1041852399.db2.gz OXLVILANKIFUCX-UHFFFAOYSA-N 1 0 318.424 4.133 20 30 DIEDRO CC(N=Nc1ccnc2cc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC000814694142 1041855766 /nfs/dbraw/zinc/85/57/66/1041855766.db2.gz XLFJRJWCOPUTOR-UHFFFAOYSA-N 1 0 316.836 4.018 20 30 DIEDRO CC(N=Nc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000814751073 1041861194 /nfs/dbraw/zinc/86/11/94/1041861194.db2.gz FZBRALJIICDYHV-UHFFFAOYSA-N 1 0 300.233 4.123 20 30 DIEDRO CC1(C)[C@@H]2C[C@@H]([NH+]3CCC(C#N)(c4ccccc4F)CC3)C[C@@H]21 ZINC001170765233 1041864095 /nfs/dbraw/zinc/86/40/95/1041864095.db2.gz FNSSADHNPOFJSL-XGBSXSJOSA-N 1 0 312.432 4.117 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421863338 1041886740 /nfs/dbraw/zinc/88/67/40/1041886740.db2.gz XFTVBEUOIDKIMU-UXHICEINSA-N 1 0 306.453 4.106 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000651707403 1041887156 /nfs/dbraw/zinc/88/71/56/1041887156.db2.gz LACGJLMFXZDNNE-PBHICJAKSA-N 1 0 314.404 4.358 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncn1Cc1ccccc1 ZINC000661113908 1041888557 /nfs/dbraw/zinc/88/85/57/1041888557.db2.gz CLRHQVCEOJECEI-UYAOXDASSA-N 1 0 309.457 4.156 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000661115399 1041888796 /nfs/dbraw/zinc/88/87/96/1041888796.db2.gz BUXFTFVLYWHHBY-RDJZCZTQSA-N 1 0 311.429 4.004 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C ZINC000661114078 1041888810 /nfs/dbraw/zinc/88/88/10/1041888810.db2.gz CSZDDGDPCZZVQL-WMZOPIPTSA-N 1 0 300.446 4.048 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cccs2)no1 ZINC000661119529 1041889732 /nfs/dbraw/zinc/88/97/32/1041889732.db2.gz UYKCNYZIHJRYCV-STQMWFEESA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(C)cc2)o1 ZINC000661117358 1041890491 /nfs/dbraw/zinc/89/04/91/1041890491.db2.gz QGYILJFBGMCILE-NVXWUHKLSA-N 1 0 311.429 4.270 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)C1 ZINC000651752863 1041905016 /nfs/dbraw/zinc/90/50/16/1041905016.db2.gz XCSWEUVQXMEOQV-LSDHHAIUSA-N 1 0 313.470 4.082 20 30 DIEDRO C=CCC(F)(F)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000815037193 1041909120 /nfs/dbraw/zinc/90/91/20/1041909120.db2.gz VIRCWMOQINRSTK-UHFFFAOYSA-N 1 0 322.399 4.068 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000651785029 1041910929 /nfs/dbraw/zinc/91/09/29/1041910929.db2.gz MVCZOXSRRKQLER-BFYDXBDKSA-N 1 0 311.429 4.056 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000651785032 1041911063 /nfs/dbraw/zinc/91/10/63/1041911063.db2.gz MVCZOXSRRKQLER-ZMSDIMECSA-N 1 0 311.429 4.056 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](O)c1cccc2ccccc21 ZINC000815086862 1041913654 /nfs/dbraw/zinc/91/36/54/1041913654.db2.gz WKELJMQDCZYLTF-NRFANRHFSA-N 1 0 321.420 4.197 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000815109654 1041918835 /nfs/dbraw/zinc/91/88/35/1041918835.db2.gz IYCMAQOFSPIDAD-AWEZNQCLSA-N 1 0 308.432 4.209 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)c2ccccc2C)cc1 ZINC000815151438 1041920048 /nfs/dbraw/zinc/92/00/48/1041920048.db2.gz OHERBRVNGHZNFE-UHFFFAOYSA-N 1 0 307.437 4.422 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199926 1041929359 /nfs/dbraw/zinc/92/93/59/1041929359.db2.gz FFMCQNITECEOEI-IRXDYDNUSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000661378217 1041929296 /nfs/dbraw/zinc/92/92/96/1041929296.db2.gz AMJHEVDNQFONEJ-MRXNPFEDSA-N 1 0 314.473 4.038 20 30 DIEDRO C=CC[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000661379871 1041929327 /nfs/dbraw/zinc/92/93/27/1041929327.db2.gz BSXPSHHFQBFPKT-INIZCTEOSA-N 1 0 309.413 4.057 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000661379083 1041929924 /nfs/dbraw/zinc/92/99/24/1041929924.db2.gz SGFRMOTUCMASNF-ZDUSSCGKSA-N 1 0 317.820 4.178 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C3CC3)c2)cc1C#N ZINC000815597365 1041970945 /nfs/dbraw/zinc/97/09/45/1041970945.db2.gz UQTRJZSEBNCYRX-CQSZACIVSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1SC(C)(C)C ZINC000815600909 1041971661 /nfs/dbraw/zinc/97/16/61/1041971661.db2.gz IGUDSNMRMBVEAB-LSDHHAIUSA-N 1 0 307.503 4.412 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccccc1SC(C)(C)C ZINC000815600908 1041971700 /nfs/dbraw/zinc/97/17/00/1041971700.db2.gz IGUDSNMRMBVEAB-HUUCEWRRSA-N 1 0 307.503 4.412 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815634801 1041981802 /nfs/dbraw/zinc/98/18/02/1041981802.db2.gz QSHIVSSSCPOVSQ-ARFHVFGLSA-N 1 0 316.445 4.285 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000815638036 1041982230 /nfs/dbraw/zinc/98/22/30/1041982230.db2.gz MGIQZPXKURICBN-JTQLQIEISA-N 1 0 315.230 4.236 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C(C)(C)C ZINC000661755629 1041990714 /nfs/dbraw/zinc/99/07/14/1041990714.db2.gz WHSPQIVCSARKIO-UHFFFAOYSA-N 1 0 314.473 4.099 20 30 DIEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCc2ccccc21 ZINC000596982900 1041998035 /nfs/dbraw/zinc/99/80/35/1041998035.db2.gz MPYQQBBMZDQDEO-HXUWFJFHSA-N 1 0 302.421 4.361 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2cccc(Cl)c2C)CCCC1 ZINC000661848274 1042005690 /nfs/dbraw/zinc/00/56/90/1042005690.db2.gz JXYHDEDSNZDPIF-UHFFFAOYSA-N 1 0 306.837 4.065 20 30 DIEDRO CCCCCCCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001167784418 1042016471 /nfs/dbraw/zinc/01/64/71/1042016471.db2.gz INSLUVRGTKZYIY-FQEVSTJZSA-N 1 0 313.489 4.229 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2cscn2)cc1 ZINC000178471010 1042033171 /nfs/dbraw/zinc/03/31/71/1042033171.db2.gz GCXKUZNJXLMKJY-CYBMUJFWSA-N 1 0 322.861 4.168 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816456841 1042055051 /nfs/dbraw/zinc/05/50/51/1042055051.db2.gz OVUCRJAGOGRILP-JENIJYKNSA-N 1 0 315.457 4.043 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816456842 1042055081 /nfs/dbraw/zinc/05/50/81/1042055081.db2.gz OVUCRJAGOGRILP-LNLFQRSKSA-N 1 0 315.457 4.043 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[N@H+](CCC#N)CC(C)C ZINC000816481187 1042056210 /nfs/dbraw/zinc/05/62/10/1042056210.db2.gz LWEIOAOZQLCIAB-SFQUDFHCSA-N 1 0 300.446 4.108 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000662081899 1042056904 /nfs/dbraw/zinc/05/69/04/1042056904.db2.gz STSNLVKMBHSATJ-YESZJQIVSA-N 1 0 312.457 4.320 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000662079439 1042057170 /nfs/dbraw/zinc/05/71/70/1042057170.db2.gz GFNZXNOWJFXLRT-BHYGNILZSA-N 1 0 309.413 4.289 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2ccc(OC)cc2)n1 ZINC000662081674 1042057764 /nfs/dbraw/zinc/05/77/64/1042057764.db2.gz QTSZYKYMFIFJRY-CALCHBBNSA-N 1 0 310.397 4.033 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2ccc(OC)cc2)no1 ZINC000662083031 1042059180 /nfs/dbraw/zinc/05/91/80/1042059180.db2.gz ZHEMDXCFGXPZQU-IYBDPMFKSA-N 1 0 310.397 4.033 20 30 DIEDRO CC(C)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccsc1 ZINC000817287257 1042100504 /nfs/dbraw/zinc/10/05/04/1042100504.db2.gz LUKYDKWHQQKMEP-RDTXWAMCSA-N 1 0 314.454 4.125 20 30 DIEDRO CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000278863238 1042108717 /nfs/dbraw/zinc/10/87/17/1042108717.db2.gz WMLZDXAWOXNSJT-FQEVSTJZSA-N 1 0 311.473 4.006 20 30 DIEDRO C[C@H](C[NH2+][C@@H](CCC#N)c1ccccc1)CC1CCOCC1 ZINC000350112868 1042134271 /nfs/dbraw/zinc/13/42/71/1042134271.db2.gz WMUADNOTJXUGGM-LPHOPBHVSA-N 1 0 300.446 4.074 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1ccco1 ZINC000278871526 1042144465 /nfs/dbraw/zinc/14/44/65/1042144465.db2.gz GIDNXBBKPBTJHY-UHOSZYNNSA-N 1 0 313.441 4.431 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)c1ccco1 ZINC000278871522 1042144682 /nfs/dbraw/zinc/14/46/82/1042144682.db2.gz GIDNXBBKPBTJHY-QRQLOZEOSA-N 1 0 313.441 4.431 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cccc(Cl)c2C1)c1cccc(C#N)c1 ZINC001170896895 1042146566 /nfs/dbraw/zinc/14/65/66/1042146566.db2.gz KNZCHCWSGFTVDN-GUYCJALGSA-N 1 0 310.828 4.420 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4cccc(Cl)c4C3)CC2)cc1 ZINC001170904172 1042153332 /nfs/dbraw/zinc/15/33/32/1042153332.db2.gz YTBIRTIGOFTVRJ-KRWDZBQOSA-N 1 0 322.839 4.348 20 30 DIEDRO Cc1cc(C)cc([C@H](O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000819330392 1042178666 /nfs/dbraw/zinc/17/86/66/1042178666.db2.gz POYSCHJFLBPLEQ-NHCUHLMSSA-N 1 0 322.452 4.362 20 30 DIEDRO N#Cc1c(Cl)cccc1Nc1cccc(C2CC[NH2+]CC2)c1 ZINC001159764581 1042188042 /nfs/dbraw/zinc/18/80/42/1042188042.db2.gz ORWQLAONYQQJJS-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cc1 ZINC001206091808 1042190389 /nfs/dbraw/zinc/19/03/89/1042190389.db2.gz SQKXBKYGNBXXLR-IRXDYDNUSA-N 1 0 303.833 4.096 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000568997822 1042201904 /nfs/dbraw/zinc/20/19/04/1042201904.db2.gz ZDVSSFPNYMBIEI-MRXNPFEDSA-N 1 0 305.425 4.459 20 30 DIEDRO C=CC1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000558248192 1042221483 /nfs/dbraw/zinc/22/14/83/1042221483.db2.gz RMDKLWZHVLPJSR-UHFFFAOYSA-N 1 0 302.805 4.393 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](Cc2ccccc2C)c2ccco2)CC1 ZINC000820809412 1042229059 /nfs/dbraw/zinc/22/90/59/1042229059.db2.gz ACEAFVXFZGTTLB-HXUWFJFHSA-N 1 0 324.468 4.112 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1Cl ZINC000585726480 1042238069 /nfs/dbraw/zinc/23/80/69/1042238069.db2.gz JHKWTFIIWAOSGA-KRWDZBQOSA-N 1 0 312.800 4.084 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001170957652 1042239360 /nfs/dbraw/zinc/23/93/60/1042239360.db2.gz FKHDTODWXHOTDJ-CQSZACIVSA-N 1 0 314.816 4.331 20 30 DIEDRO CC(C)Oc1ccccc1/C=C\C(=O)c1cccc(C[NH+](C)C)c1 ZINC000821022163 1042239590 /nfs/dbraw/zinc/23/95/90/1042239590.db2.gz PHMGQKCLQCEPJD-SEYXRHQNSA-N 1 0 323.436 4.432 20 30 DIEDRO CCN(Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1F ZINC000585763796 1042244146 /nfs/dbraw/zinc/24/41/46/1042244146.db2.gz GOHGEARQUQMKEY-UHFFFAOYSA-N 1 0 308.809 4.434 20 30 DIEDRO COc1ncc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000585764884 1042245143 /nfs/dbraw/zinc/24/51/43/1042245143.db2.gz WQJVOWNMMWUTRC-NEPJUHHUSA-N 1 0 315.804 4.027 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000585764847 1042245282 /nfs/dbraw/zinc/24/52/82/1042245282.db2.gz QPGSRPUVZXBPIO-REABXYAWSA-N 1 0 320.436 4.410 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cccc(F)c2C1)c1cccc(C#N)c1 ZINC001170960987 1042246694 /nfs/dbraw/zinc/24/66/94/1042246694.db2.gz KZFKTUNMDHTNPS-FXAWDEMLSA-N 1 0 308.400 4.296 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)C1 ZINC000618562550 1042273276 /nfs/dbraw/zinc/27/32/76/1042273276.db2.gz FLCFOIDQPVUQOG-VQIMIIECSA-N 1 0 324.424 4.168 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170986424 1042282183 /nfs/dbraw/zinc/28/21/83/1042282183.db2.gz TYBSMBODMCWBPD-GOSISDBHSA-N 1 0 308.400 4.099 20 30 DIEDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000822456816 1042286682 /nfs/dbraw/zinc/28/66/82/1042286682.db2.gz VBJYTXDVVSTQIV-NVXWUHKLSA-N 1 0 314.479 4.270 20 30 DIEDRO [NH2+]=CNc1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001167870810 1042314342 /nfs/dbraw/zinc/31/43/42/1042314342.db2.gz CKJKOKNBOVDIOS-UHFFFAOYSA-N 1 0 300.365 4.270 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2c(Cl)cccc2C1)c1ccc(C#N)cc1 ZINC001171012702 1042319351 /nfs/dbraw/zinc/31/93/51/1042319351.db2.gz IPBNMIOXXCPEMB-DYVFJYSZSA-N 1 0 310.828 4.420 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(C)cc2C)cc1 ZINC001648945704 1042320014 /nfs/dbraw/zinc/32/00/14/1042320014.db2.gz CWXZNOOBQMDQBU-UHFFFAOYSA-N 1 0 307.437 4.038 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(OC)ccc2C1)c1ccc(C#N)cc1 ZINC000618575653 1042334403 /nfs/dbraw/zinc/33/44/03/1042334403.db2.gz USROKWQGTUXUSN-TZIWHRDSSA-N 1 0 320.436 4.165 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc2ccc(F)c(F)c2n1)c1ccc(C#N)cc1 ZINC001648946265 1042354077 /nfs/dbraw/zinc/35/40/77/1042354077.db2.gz MCLJJPCPRNCGMZ-LBPRGKRZSA-N 1 0 323.346 4.235 20 30 DIEDRO C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC000015306349 1042363782 /nfs/dbraw/zinc/36/37/82/1042363782.db2.gz SOGRHYNUJMSWCM-UHFFFAOYSA-N 1 0 316.404 4.222 20 30 DIEDRO C/C(=C/c1ccccc1)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573645145 1042411737 /nfs/dbraw/zinc/41/17/37/1042411737.db2.gz DBBMNRRYRGFCQQ-JXAWBTAJSA-N 1 0 320.436 4.110 20 30 DIEDRO C[C@@H]1C[C@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000047045208 1042416468 /nfs/dbraw/zinc/41/64/68/1042416468.db2.gz NIZVGFFUNURTSI-IERDGZPVSA-N 1 0 315.420 4.088 20 30 DIEDRO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000614160736 1042417914 /nfs/dbraw/zinc/41/79/14/1042417914.db2.gz YENGJPYDOZSARC-UHFFFAOYSA-N 1 0 320.436 4.055 20 30 DIEDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167543 1042419770 /nfs/dbraw/zinc/41/97/70/1042419770.db2.gz WIPWGKNWMGUDJF-LJQANCHMSA-N 1 0 314.473 4.269 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CCCc2sccc2C1 ZINC000614167320 1042419802 /nfs/dbraw/zinc/41/98/02/1042419802.db2.gz PIUNPKGPMDWEQI-UHFFFAOYSA-N 1 0 302.830 4.222 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000614171080 1042420347 /nfs/dbraw/zinc/42/03/47/1042420347.db2.gz DKMFLPMIKRWRJG-MSOLQXFVSA-N 1 0 314.498 4.348 20 30 DIEDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173968 1042421789 /nfs/dbraw/zinc/42/17/89/1042421789.db2.gz DEEFQNUHRILQIY-OAHLLOKOSA-N 1 0 308.425 4.386 20 30 DIEDRO CC[N@H+](CCc1nccs1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176995 1042422747 /nfs/dbraw/zinc/42/27/47/1042422747.db2.gz GROIOVSGCIIWSY-UHFFFAOYSA-N 1 0 313.470 4.009 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000614176753 1042423030 /nfs/dbraw/zinc/42/30/30/1042423030.db2.gz CCGFXYPNTZZXJC-UHFFFAOYSA-N 1 0 319.452 4.262 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614179883 1042423420 /nfs/dbraw/zinc/42/34/20/1042423420.db2.gz QIMVTXIDVQAGMP-OAHLLOKOSA-N 1 0 308.425 4.347 20 30 DIEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 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ZYJWNLGQEQPUCX-INIZCTEOSA-N 1 0 308.425 4.377 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000618805552 1042611207 /nfs/dbraw/zinc/61/12/07/1042611207.db2.gz OOKIWFZDWMQDQO-MSOLQXFVSA-N 1 0 310.347 4.101 20 30 DIEDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCCCC(C)(C)C#N)C1 ZINC000421007535 1042619757 /nfs/dbraw/zinc/61/97/57/1042619757.db2.gz HNRFRMRTTUOFNT-HZPDHXFCSA-N 1 0 322.493 4.006 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)C)c(F)c1 ZINC000421848079 1042659739 /nfs/dbraw/zinc/65/97/39/1042659739.db2.gz AAGJLYHZASXLQC-KRWDZBQOSA-N 1 0 318.417 4.254 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000421877365 1042660238 /nfs/dbraw/zinc/66/02/38/1042660238.db2.gz KPKIJSQDBGTSAU-QGZVFWFLSA-N 1 0 312.438 4.141 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)ccc1SC ZINC000421881133 1042661124 /nfs/dbraw/zinc/66/11/24/1042661124.db2.gz OVARZACHKPOTLX-LLVKDONJSA-N 1 0 318.467 4.201 20 30 DIEDRO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccc(OCC#N)cc1 ZINC000319683128 1042679223 /nfs/dbraw/zinc/67/92/23/1042679223.db2.gz AWDQLZLFZLZNFC-YEVHIBAUSA-N 1 0 310.441 4.064 20 30 DIEDRO CC(C)Cc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cn1 ZINC000894272196 1042685221 /nfs/dbraw/zinc/68/52/21/1042685221.db2.gz ZNVLLBTZOCNRBZ-UHFFFAOYSA-N 1 0 313.832 4.095 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000424138849 1042727166 /nfs/dbraw/zinc/72/71/66/1042727166.db2.gz NBFQHDLWDIAOKR-PGUXBMHVSA-N 1 0 300.229 4.235 20 30 DIEDRO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424195393 1042728962 /nfs/dbraw/zinc/72/89/62/1042728962.db2.gz CWFKBSGEMURDBJ-QFBILLFUSA-N 1 0 320.436 4.453 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000424205037 1042729146 /nfs/dbraw/zinc/72/91/46/1042729146.db2.gz WAXUSWNZZNUSMA-MJGOQNOKSA-N 1 0 306.409 4.047 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000424205035 1042729477 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CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)c1ccc(F)cc1 ZINC000517624682 1042889225 /nfs/dbraw/zinc/88/92/25/1042889225.db2.gz NUJFRKULXVHXBZ-ZDUSSCGKSA-N 1 0 300.352 4.420 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000519243836 1042940298 /nfs/dbraw/zinc/94/02/98/1042940298.db2.gz KVOORYVJXNFMSS-NVXWUHKLSA-N 1 0 303.446 4.142 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000925068848 1042946543 /nfs/dbraw/zinc/94/65/43/1042946543.db2.gz BIUGZIWGLYYCBU-QAPCUYQASA-N 1 0 300.446 4.072 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000519554668 1042965338 /nfs/dbraw/zinc/96/53/38/1042965338.db2.gz QPTKUQBIZHMKKB-TVPLGVNVSA-N 1 0 310.441 4.171 20 30 DIEDRO CC(C)Oc1ccccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000519609462 1042985731 /nfs/dbraw/zinc/98/57/31/1042985731.db2.gz GOSBTGGSRTYALS-LJQANCHMSA-N 1 0 306.409 4.123 20 30 DIEDRO CC(C)C[N@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000520174026 1043021307 /nfs/dbraw/zinc/02/13/07/1043021307.db2.gz OPLUXMZSSMLWRJ-UHFFFAOYSA-N 1 0 319.408 4.358 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1OC(F)F ZINC000151395697 1043021862 /nfs/dbraw/zinc/02/18/62/1043021862.db2.gz BVOLAOWLTJEYOZ-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000520198360 1043024170 /nfs/dbraw/zinc/02/41/70/1043024170.db2.gz AQUJRUVERJPFDZ-HNNXBMFYSA-N 1 0 308.347 4.113 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000441345291 1043039031 /nfs/dbraw/zinc/03/90/31/1043039031.db2.gz GCGJZWRXYQEQHZ-UHFFFAOYSA-N 1 0 311.454 4.230 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(F)cc1F ZINC000174416226 1043065953 /nfs/dbraw/zinc/06/59/53/1043065953.db2.gz NTHQEFHLGDZTAR-QGZVFWFLSA-N 1 0 316.351 4.086 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000174429661 1043066489 /nfs/dbraw/zinc/06/64/89/1043066489.db2.gz YVAXDCITRINXHI-MRXNPFEDSA-N 1 0 305.425 4.009 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cnc(C)s2)cc1 ZINC000123780105 1043070817 /nfs/dbraw/zinc/07/08/17/1043070817.db2.gz NPRLHPUXRGNONS-GFCCVEGCSA-N 1 0 322.861 4.434 20 30 DIEDRO CC[N@H+](Cc1ccc(NC(C)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000179463555 1043146278 /nfs/dbraw/zinc/14/62/78/1043146278.db2.gz NVAYRLCQESNEHQ-OAHLLOKOSA-N 1 0 321.424 4.100 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189331677 1043147234 /nfs/dbraw/zinc/14/72/34/1043147234.db2.gz KTURMKPQYGJBTN-UHFFFAOYSA-N 1 0 318.420 4.398 20 30 DIEDRO CC1CCC([N@@H+](Cc2ccccc2C#N)C[C@H]2CCCO2)CC1 ZINC000441468731 1043153720 /nfs/dbraw/zinc/15/37/20/1043153720.db2.gz UNTLKRXMEIQEAI-RRWXTXHCSA-N 1 0 312.457 4.118 20 30 DIEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476514 1043165388 /nfs/dbraw/zinc/16/53/88/1043165388.db2.gz KAQKZDHPGKBDLN-WMLDXEAASA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@H](CCc1cncc2ccccc21)[NH2+]CC1CCC(C#N)CC1 ZINC000866353025 1043185723 /nfs/dbraw/zinc/18/57/23/1043185723.db2.gz NHPCSFNXZCHPEH-WWDZGPRUSA-N 1 0 321.468 4.475 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc2c(ccnc2Cl)o1 ZINC000866358004 1043187547 /nfs/dbraw/zinc/18/75/47/1043187547.db2.gz VSRMXFYJGOVJFQ-NSHDSACASA-N 1 0 305.809 4.462 20 30 DIEDRO C[C@@H](CCc1cccnc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000866364110 1043189609 /nfs/dbraw/zinc/18/96/09/1043189609.db2.gz PKFWSLGTZFPNEK-FXAWDEMLSA-N 1 0 307.441 4.427 20 30 DIEDRO C[N@H+](CCC1CCCCC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441555682 1043215794 /nfs/dbraw/zinc/21/57/94/1043215794.db2.gz YQLSFBTYTMHPLE-UHFFFAOYSA-N 1 0 324.428 4.010 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccco1 ZINC000866572646 1043226285 /nfs/dbraw/zinc/22/62/85/1043226285.db2.gz DNWOMRNTWKRKCO-QGZVFWFLSA-N 1 0 309.413 4.006 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cc3cnccc3o2)cc1 ZINC000866622392 1043239700 /nfs/dbraw/zinc/23/97/00/1043239700.db2.gz ZFFFLTATOXKYBQ-GJZGRUSLSA-N 1 0 320.392 4.252 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2ccccc2F)C2CCCC2)nc1 ZINC000574766865 1043243852 /nfs/dbraw/zinc/24/38/52/1043243852.db2.gz UPBZMUOWMQIOGN-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000193493800 1043247600 /nfs/dbraw/zinc/24/76/00/1043247600.db2.gz JNEZBGSIPRJXBL-OAHLLOKOSA-N 1 0 302.418 4.040 20 30 DIEDRO C=C[C@@](C)(CC)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000188020440 1043253100 /nfs/dbraw/zinc/25/31/00/1043253100.db2.gz CBQUGFLNXJYTHN-IBGZPJMESA-N 1 0 300.446 4.132 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000121771731 1043261105 /nfs/dbraw/zinc/26/11/05/1043261105.db2.gz TUWFWZLFIGXHKA-RBUKOAKNSA-N 1 0 324.424 4.020 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000121772209 1043261193 /nfs/dbraw/zinc/26/11/93/1043261193.db2.gz TUWFWZLFIGXHKA-MOPGFXCFSA-N 1 0 324.424 4.020 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000121934077 1043267490 /nfs/dbraw/zinc/26/74/90/1043267490.db2.gz VQJMAAFVCOTMCN-OLZOCXBDSA-N 1 0 316.351 4.106 20 30 DIEDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000193994612 1043288244 /nfs/dbraw/zinc/28/82/44/1043288244.db2.gz BMGUNRJJCLWEAQ-UGSOOPFHSA-N 1 0 314.816 4.250 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2COCC)cc1 ZINC000122629308 1043318276 /nfs/dbraw/zinc/31/82/76/1043318276.db2.gz UMPIPTIEOZCQII-KRWDZBQOSA-N 1 0 323.436 4.086 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268399511 1043319675 /nfs/dbraw/zinc/31/96/75/1043319675.db2.gz ULDWDFPUNZVQOC-IRXDYDNUSA-N 1 0 318.461 4.278 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]CC2CCCCC2)ccc1OC ZINC000122840851 1043333132 /nfs/dbraw/zinc/33/31/32/1043333132.db2.gz ZYSSSXVEQDKDST-QGZVFWFLSA-N 1 0 316.445 4.046 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1 ZINC000268823721 1043334678 /nfs/dbraw/zinc/33/46/78/1043334678.db2.gz MNPVQMDMUKGXJI-MRXNPFEDSA-N 1 0 322.408 4.007 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000268905329 1043342909 /nfs/dbraw/zinc/34/29/09/1043342909.db2.gz GRYNBHZOCQUQGV-VBKZILBWSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(Br)c1 ZINC000442112650 1043354437 /nfs/dbraw/zinc/35/44/37/1043354437.db2.gz IANHTJBACVRSGL-IYXRBSQSSA-N 1 0 321.262 4.430 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(F)c1 ZINC000521057294 1043359300 /nfs/dbraw/zinc/35/93/00/1043359300.db2.gz KFBZFJMCQPLCGQ-LJQANCHMSA-N 1 0 308.400 4.252 20 30 DIEDRO CC(C)(C)c1ncc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000269617147 1043371895 /nfs/dbraw/zinc/37/18/95/1043371895.db2.gz ONADSMGGMVMZDV-UHFFFAOYSA-N 1 0 311.454 4.091 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1OC ZINC000521378524 1043392715 /nfs/dbraw/zinc/39/27/15/1043392715.db2.gz ONIQWCRZJXECPR-SFHVURJKSA-N 1 0 323.436 4.080 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000442647903 1043399509 /nfs/dbraw/zinc/39/95/09/1043399509.db2.gz LCNGUONZDAPBPS-NVXWUHKLSA-N 1 0 310.372 4.400 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000442708417 1043408026 /nfs/dbraw/zinc/40/80/26/1043408026.db2.gz IYXUBYCLZYLPIO-APWZRJJASA-N 1 0 306.409 4.047 20 30 DIEDRO CCOc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000442779278 1043417389 /nfs/dbraw/zinc/41/73/89/1043417389.db2.gz LTBBFSXYILSDJB-LKUPVBHCSA-N 1 0 320.436 4.457 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3cccc(C)c32)c1 ZINC000925418498 1043417581 /nfs/dbraw/zinc/41/75/81/1043417581.db2.gz KFYXSXIURDCLLU-ICSRJNTNSA-N 1 0 320.436 4.453 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442790503 1043424284 /nfs/dbraw/zinc/42/42/84/1043424284.db2.gz HAGKMEPQMMKLEV-WFASDCNBSA-N 1 0 308.347 4.019 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000442818190 1043429266 /nfs/dbraw/zinc/42/92/66/1043429266.db2.gz HVVGMWMQEZEGLP-SJLPKXTDSA-N 1 0 324.399 4.442 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872044360 1043433388 /nfs/dbraw/zinc/43/33/88/1043433388.db2.gz AISAJADJWBEXIY-NOLJZWGESA-N 1 0 324.262 4.081 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)CCO1 ZINC000872051303 1043434828 /nfs/dbraw/zinc/43/48/28/1043434828.db2.gz HUIKEUOPDZYGEP-KURKYZTESA-N 1 0 300.446 4.215 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)CCO1 ZINC000872051304 1043435433 /nfs/dbraw/zinc/43/54/33/1043435433.db2.gz HUIKEUOPDZYGEP-SQNIBIBYSA-N 1 0 300.446 4.215 20 30 DIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)CC(C)(C)C#N)c(C)c1 ZINC000925596483 1043436007 /nfs/dbraw/zinc/43/60/07/1043436007.db2.gz WQLORIJWCWTYGQ-MJGOQNOKSA-N 1 0 324.472 4.159 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000442872231 1043441057 /nfs/dbraw/zinc/44/10/57/1043441057.db2.gz IBZJGJKGYXUOGM-BURPLHJFSA-N 1 0 300.421 4.381 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(COC)c1)c1ccccc1 ZINC000271594997 1043441129 /nfs/dbraw/zinc/44/11/29/1043441129.db2.gz YUJHVKGVTYGVCX-UZLBHIALSA-N 1 0 323.436 4.257 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000442872234 1043441633 /nfs/dbraw/zinc/44/16/33/1043441633.db2.gz IBZJGJKGYXUOGM-QIRNKGDASA-N 1 0 300.421 4.381 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442855889 1043442803 /nfs/dbraw/zinc/44/28/03/1043442803.db2.gz KWBZCUBPQIXMOP-YUDUHTQSSA-N 1 0 308.347 4.233 20 30 DIEDRO CC(C)(C#N)CCC[N@H+](CCN1CCCCCC1)C1CCC1 ZINC000558148989 1043445467 /nfs/dbraw/zinc/44/54/67/1043445467.db2.gz QEDWVRSNGCBLNG-UHFFFAOYSA-N 1 0 305.510 4.047 20 30 DIEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)[C@H]1CCCOC1 ZINC000872073710 1043450338 /nfs/dbraw/zinc/45/03/38/1043450338.db2.gz QVFCGKTWNSSCJP-FHWLQOOXSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc(O)ccc1F ZINC000872081579 1043453882 /nfs/dbraw/zinc/45/38/82/1043453882.db2.gz ZSRGBXRLVXWDHD-BLVKFPJESA-N 1 0 310.372 4.131 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc(O)ccc1F ZINC000872081581 1043454639 /nfs/dbraw/zinc/45/46/39/1043454639.db2.gz ZSRGBXRLVXWDHD-BUXKBTBVSA-N 1 0 310.372 4.131 20 30 DIEDRO CC1(C)CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000443016953 1043467120 /nfs/dbraw/zinc/46/71/20/1043467120.db2.gz YBAAAEPHSOWMQZ-QGZVFWFLSA-N 1 0 300.446 4.428 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000872140508 1043479866 /nfs/dbraw/zinc/47/98/66/1043479866.db2.gz PQBPQXRTBXHWMB-DDUZABMNSA-N 1 0 312.413 4.012 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000348935953 1043483683 /nfs/dbraw/zinc/48/36/83/1043483683.db2.gz RFNLSSOPCUPHRJ-HXUWFJFHSA-N 1 0 321.424 4.101 20 30 DIEDRO C#CC[N@@H+](Cc1c[nH]c2c1cccc2F)[C@@H]1CCc2ccccc21 ZINC001137057566 1043485599 /nfs/dbraw/zinc/48/55/99/1043485599.db2.gz HSCARTGIVNDREF-HXUWFJFHSA-N 1 0 318.395 4.430 20 30 DIEDRO CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000521823408 1043487438 /nfs/dbraw/zinc/48/74/38/1043487438.db2.gz UDMPTWOMKKELME-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c(Cl)c1 ZINC000872280258 1043489593 /nfs/dbraw/zinc/48/95/93/1043489593.db2.gz KPVXGPUPZGBWIP-QGZVFWFLSA-N 1 0 318.848 4.135 20 30 DIEDRO Cc1cc2ccccc2nc1N=NC1CCC(C)([NH+](C)C)CC1 ZINC000872362355 1043492542 /nfs/dbraw/zinc/49/25/42/1043492542.db2.gz NSXSRNUEGWEVNE-UHFFFAOYSA-N 1 0 310.445 4.205 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C(F)(F)F)CC2 ZINC000558497274 1043521276 /nfs/dbraw/zinc/52/12/76/1043521276.db2.gz NHFIFBQEZUYOPF-QGZVFWFLSA-N 1 0 316.326 4.354 20 30 DIEDRO N#CCCC[NH2+][C@H](Cc1ccc(F)cc1Cl)c1ccoc1 ZINC000926131994 1043532863 /nfs/dbraw/zinc/53/28/63/1043532863.db2.gz INOGYHMCNHOTDB-MRXNPFEDSA-N 1 0 306.768 4.249 20 30 DIEDRO C=C(C)[C@H](N[C@H](C)c1cc(OC)ccn1)c1ccc(F)c(F)c1 ZINC000926206527 1043547256 /nfs/dbraw/zinc/54/72/56/1043547256.db2.gz NJRDRZCCPNSRRN-XIKOKIGWSA-N 1 0 318.367 4.336 20 30 DIEDRO CC1(C)CCC(C[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000558620805 1043557692 /nfs/dbraw/zinc/55/76/92/1043557692.db2.gz KDKKUBMUDZCRJV-UHFFFAOYSA-N 1 0 311.473 4.155 20 30 DIEDRO C[N@H+](CCCOc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000487429133 1043558601 /nfs/dbraw/zinc/55/86/01/1043558601.db2.gz MDYKBRXQFVFGLX-UHFFFAOYSA-N 1 0 322.452 4.389 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001274931632 1043561379 /nfs/dbraw/zinc/56/13/79/1043561379.db2.gz SCFMUWKNISXQLN-QGZVFWFLSA-N 1 0 320.521 4.070 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc2ccccc2[nH]1 ZINC000926318234 1043561646 /nfs/dbraw/zinc/56/16/46/1043561646.db2.gz VKCXEWYWVWZXIN-ORAYPTAESA-N 1 0 301.393 4.378 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCCCCO)C(C)(C)C)cc1 ZINC001168018630 1043563742 /nfs/dbraw/zinc/56/37/42/1043563742.db2.gz RSVYSHOADSZCJB-UHFFFAOYSA-N 1 0 305.462 4.015 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000926343612 1043567105 /nfs/dbraw/zinc/56/71/05/1043567105.db2.gz PYIMXGOPQINGAF-NRSPTQNISA-N 1 0 322.452 4.050 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000926344479 1043567492 /nfs/dbraw/zinc/56/74/92/1043567492.db2.gz WTHOIHZITAUBOH-TYPHKJRUSA-N 1 0 322.452 4.050 20 30 DIEDRO CCc1ccc([C@H]([NH2+]CC2(CC#N)CC2)c2cccnc2)cc1 ZINC000926344667 1043567727 /nfs/dbraw/zinc/56/77/27/1043567727.db2.gz MGKFQOIKSSBVJC-IBGZPJMESA-N 1 0 305.425 4.017 20 30 DIEDRO Cc1cc(C)cc([C@@H]([NH2+]CC2(CC#N)CC2)c2cccnc2)c1 ZINC000926344244 1043568165 /nfs/dbraw/zinc/56/81/65/1043568165.db2.gz JPJRHAWHLHCRKK-IBGZPJMESA-N 1 0 305.425 4.071 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926344120 1043568353 /nfs/dbraw/zinc/56/83/53/1043568353.db2.gz VCTAQNHHDILHCB-MJVIPROJSA-N 1 0 319.392 4.399 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000926344478 1043568413 /nfs/dbraw/zinc/56/84/13/1043568413.db2.gz WTHOIHZITAUBOH-NRSPTQNISA-N 1 0 322.452 4.050 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@]2(CCN(CC3CCCC3)C2=O)C1 ZINC001275113750 1043575971 /nfs/dbraw/zinc/57/59/71/1043575971.db2.gz IDHAIVDYAYHNHF-HXUWFJFHSA-N 1 0 320.521 4.071 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@]2(CCN([C@@H](C)CC)C2=O)C1 ZINC001275114101 1043576118 /nfs/dbraw/zinc/57/61/18/1043576118.db2.gz JRIUESDYBXIECC-HKUYNNGSSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@]12CC(=O)N(CC(C)C)C2 ZINC001275115298 1043576536 /nfs/dbraw/zinc/57/65/36/1043576536.db2.gz UPQWPVIYGVOZRW-LJQANCHMSA-N 1 0 308.510 4.070 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000926439751 1043577545 /nfs/dbraw/zinc/57/75/45/1043577545.db2.gz YSFVTMWKXDDRKS-LSTHTHJFSA-N 1 0 322.452 4.379 20 30 DIEDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001143592136 1043578225 /nfs/dbraw/zinc/57/82/25/1043578225.db2.gz PSBBLMSEIXRGOE-HXUWFJFHSA-N 1 0 324.399 4.049 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@H+]2CC[C@H](C)CCC=C(C)C)C1=O ZINC001275123539 1043578255 /nfs/dbraw/zinc/57/82/55/1043578255.db2.gz HIUABNHVDQEXBX-QUCCMNQESA-N 1 0 318.505 4.012 20 30 DIEDRO C[C@H]([NH2+]CCCOc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000558740734 1043585504 /nfs/dbraw/zinc/58/55/04/1043585504.db2.gz DAPXXLGESNBWOO-AWEZNQCLSA-N 1 0 314.816 4.331 20 30 DIEDRO Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2cccnc2)cc1 ZINC000926512448 1043590775 /nfs/dbraw/zinc/59/07/75/1043590775.db2.gz NJGYJDSGICLFTB-VDGAXYAQSA-N 1 0 305.425 4.151 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1csc(C(F)(F)F)c1 ZINC000926511782 1043591280 /nfs/dbraw/zinc/59/12/80/1043591280.db2.gz GKMRQMCVPSVFLL-NHCYSSNCSA-N 1 0 302.365 4.500 20 30 DIEDRO CCc1ccc([C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2cccnc2)cc1 ZINC000926513480 1043591482 /nfs/dbraw/zinc/59/14/82/1043591482.db2.gz VVMHVQILRQCCDG-DZFGPLHGSA-N 1 0 319.452 4.405 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOc3ccc(F)cc31)CC2 ZINC000353258932 1043594650 /nfs/dbraw/zinc/59/46/50/1043594650.db2.gz RZGNTOFGMKRQKW-MOPGFXCFSA-N 1 0 322.383 4.188 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(OC)c(C#N)c1 ZINC000190497372 1043599344 /nfs/dbraw/zinc/59/93/44/1043599344.db2.gz QFKQRBXCKXUYRE-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC001307708978 1043599836 /nfs/dbraw/zinc/59/98/36/1043599836.db2.gz PNIXKVJPLYQWDU-CZUORRHYSA-N 1 0 321.262 4.379 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOc3ccccc31)CC2 ZINC000353388987 1043603840 /nfs/dbraw/zinc/60/38/40/1043603840.db2.gz QUXHDUISPILJIL-RTBURBONSA-N 1 0 304.393 4.049 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc(O)cc(F)c1 ZINC000926602972 1043605878 /nfs/dbraw/zinc/60/58/78/1043605878.db2.gz QRSZPMQQFASCAO-BLVKFPJESA-N 1 0 310.372 4.131 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc(O)cc(F)c1 ZINC000926668627 1043613837 /nfs/dbraw/zinc/61/38/37/1043613837.db2.gz IXMWCFNYLONVSA-ZDUSSCGKSA-N 1 0 310.372 4.133 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccsc1 ZINC000353663789 1043630280 /nfs/dbraw/zinc/63/02/80/1043630280.db2.gz UYKHZDPMURDLBZ-INIZCTEOSA-N 1 0 300.427 4.259 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOc3cc(F)ccc31)CC2 ZINC000353682573 1043634064 /nfs/dbraw/zinc/63/40/64/1043634064.db2.gz XTTWORJLNHXCQQ-RTBURBONSA-N 1 0 322.383 4.188 20 30 DIEDRO C=CCCCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001141777272 1043651162 /nfs/dbraw/zinc/65/11/62/1043651162.db2.gz BGWTTZJELYFOAU-IBGZPJMESA-N 1 0 320.521 4.426 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1C ZINC000926902650 1043652284 /nfs/dbraw/zinc/65/22/84/1043652284.db2.gz GNUUQNLHCBKRAV-UONOGXRCSA-N 1 0 312.388 4.426 20 30 DIEDRO COc1ccc(F)cc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353897262 1043654481 /nfs/dbraw/zinc/65/44/81/1043654481.db2.gz HQUDJLDBEROKQH-GOSISDBHSA-N 1 0 312.388 4.359 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000353903041 1043655005 /nfs/dbraw/zinc/65/50/05/1043655005.db2.gz VJCPCXWJDKBGEA-GOSISDBHSA-N 1 0 300.352 4.490 20 30 DIEDRO Cc1ccc2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)cn2c1 ZINC000353913691 1043657474 /nfs/dbraw/zinc/65/74/74/1043657474.db2.gz IIWNTHMNBSNSLA-LJQANCHMSA-N 1 0 318.424 4.168 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)cc1C#N ZINC000926961997 1043664281 /nfs/dbraw/zinc/66/42/81/1043664281.db2.gz LAGVIDGEAVOZDA-SFHVURJKSA-N 1 0 308.429 4.001 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1C#N ZINC000926967666 1043664581 /nfs/dbraw/zinc/66/45/81/1043664581.db2.gz WRLBEFINLJPPDG-SFHVURJKSA-N 1 0 310.372 4.009 20 30 DIEDRO CC[C@H]([NH2+]CCc1cccc2oc(C)nc21)c1cccc(C#N)c1 ZINC000926971057 1043664906 /nfs/dbraw/zinc/66/49/06/1043664906.db2.gz YVPBUABBWQOECQ-SFHVURJKSA-N 1 0 319.408 4.291 20 30 DIEDRO Cc1ccc(CCC[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000474155841 1043671225 /nfs/dbraw/zinc/67/12/25/1043671225.db2.gz TYHABPQIOOPGBJ-UHFFFAOYSA-N 1 0 321.468 4.353 20 30 DIEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000125878944 1043672083 /nfs/dbraw/zinc/67/20/83/1043672083.db2.gz NFHOYLNKHMSHRI-HZPDHXFCSA-N 1 0 304.434 4.044 20 30 DIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000876545345 1043693680 /nfs/dbraw/zinc/69/36/80/1043693680.db2.gz FTHJVVGMERKIDC-OAHLLOKOSA-N 1 0 308.853 4.342 20 30 DIEDRO CCC(CC)[N@H+](CC)Cc1ccc(Br)cc1C#N ZINC001141815051 1043698679 /nfs/dbraw/zinc/69/86/79/1043698679.db2.gz ZRJSGZADBLBHTJ-UHFFFAOYSA-N 1 0 309.251 4.331 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(CCC(=O)N(CC(=C)C)C2)CC1 ZINC001275329531 1043701992 /nfs/dbraw/zinc/70/19/92/1043701992.db2.gz ZDZSNGNNKHLURR-UHFFFAOYSA-N 1 0 318.505 4.014 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000895564026 1043707106 /nfs/dbraw/zinc/70/71/06/1043707106.db2.gz QMPIGZDWXRCQTF-WMZOPIPTSA-N 1 0 322.456 4.196 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)cc1 ZINC000895662487 1043728896 /nfs/dbraw/zinc/72/88/96/1043728896.db2.gz PGGFZUXPKWVQJC-LJQANCHMSA-N 1 0 322.452 4.090 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)CC[P@@](C)(=O)OCC)c1ccncc1 ZINC000877046226 1043737085 /nfs/dbraw/zinc/73/70/85/1043737085.db2.gz JLMMPFPQGQHURZ-HTZUNMPGSA-N 1 0 310.378 4.011 20 30 DIEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000877117043 1043745052 /nfs/dbraw/zinc/74/50/52/1043745052.db2.gz ZUKCSIVAUBLZGK-JIGPKXGUSA-N 1 0 322.389 4.344 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)CCCC1(C)C ZINC000877479630 1043765036 /nfs/dbraw/zinc/76/50/36/1043765036.db2.gz FSTABISZPODBMK-INIZCTEOSA-N 1 0 300.402 4.100 20 30 DIEDRO C[NH+](C)Cc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000777702980 1043767237 /nfs/dbraw/zinc/76/72/37/1043767237.db2.gz UXOJSWGWTICWEV-HXUWFJFHSA-N 1 0 323.415 4.248 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000877661181 1043785459 /nfs/dbraw/zinc/78/54/59/1043785459.db2.gz XHAJBPNRZIBTBR-CXAGYDPISA-N 1 0 318.848 4.016 20 30 DIEDRO CC[N@H+](Cc1cncc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000929338429 1043811494 /nfs/dbraw/zinc/81/14/94/1043811494.db2.gz UGLHJMDNUDVZCA-AWEZNQCLSA-N 1 0 305.381 4.283 20 30 DIEDRO N#CC1(CCCC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)CCC1 ZINC000929338818 1043811648 /nfs/dbraw/zinc/81/16/48/1043811648.db2.gz NQHBOLYHQYYTAF-GOSISDBHSA-N 1 0 316.445 4.125 20 30 DIEDRO CCN(Cc1coc(C(C)(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000929332062 1043812215 /nfs/dbraw/zinc/81/22/15/1043812215.db2.gz YVWSSFARWYDQMH-CQSZACIVSA-N 1 0 311.429 4.427 20 30 DIEDRO N#CC1(CCCCN2CCO[C@@H](c3cccc(F)c3)C2)CCC1 ZINC000929488363 1043823774 /nfs/dbraw/zinc/82/37/74/1043823774.db2.gz NIKNPXFMVYJHCE-GOSISDBHSA-N 1 0 316.420 4.063 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCCO[C@H](c3ccccc3)C2)CCC1 ZINC000929530896 1043826120 /nfs/dbraw/zinc/82/61/20/1043826120.db2.gz QEMYWPVIVGMYHI-IBGZPJMESA-N 1 0 312.457 4.314 20 30 DIEDRO CC1CCC([NH+]2CCN(CCCCC3(C#N)CCC3)CC2)CC1 ZINC000929660236 1043832079 /nfs/dbraw/zinc/83/20/79/1043832079.db2.gz RZAABXMHJXWHGG-UHFFFAOYSA-N 1 0 317.521 4.047 20 30 DIEDRO CCc1ccc([C@H]2COCCN2CCCCC2(C#N)CCC2)o1 ZINC000929676640 1043833346 /nfs/dbraw/zinc/83/33/46/1043833346.db2.gz UMGFGVJDMKGTAH-QGZVFWFLSA-N 1 0 316.445 4.079 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929756397 1043837807 /nfs/dbraw/zinc/83/78/07/1043837807.db2.gz FVCXYPNZTQATBC-SOVHRIKKSA-N 1 0 316.395 4.049 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000323476417 1043841477 /nfs/dbraw/zinc/84/14/77/1043841477.db2.gz YYJJVKQAYUHFJB-HNNXBMFYSA-N 1 0 303.409 4.209 20 30 DIEDRO C[N@H+](CCCCC1(C#N)CCC1)Cc1nc2c(s1)CCCC2 ZINC000929774586 1043842320 /nfs/dbraw/zinc/84/23/20/1043842320.db2.gz QLKRJQMKLDNZCI-UHFFFAOYSA-N 1 0 317.502 4.318 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CCC1 ZINC000929832982 1043844958 /nfs/dbraw/zinc/84/49/58/1043844958.db2.gz WSWPHCNSAIPMCA-DLBZAZTESA-N 1 0 316.445 4.032 20 30 DIEDRO N#CCC1(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000878175158 1043854888 /nfs/dbraw/zinc/85/48/88/1043854888.db2.gz XVLDFJXKPCIZFO-HOTGVXAUSA-N 1 0 318.486 4.110 20 30 DIEDRO N#CC1(CCCC[NH2+]C2(c3nccs3)CCCC2)CCC1 ZINC000930009543 1043865493 /nfs/dbraw/zinc/86/54/93/1043865493.db2.gz HKUDCZDLAVTUGD-UHFFFAOYSA-N 1 0 303.475 4.366 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC=C(C(C)(C)C)CC1)c1ccccc1 ZINC000878306581 1043870772 /nfs/dbraw/zinc/87/07/72/1043870772.db2.gz FINZFWBKOCLYCN-OAQYLSRUSA-N 1 0 324.468 4.105 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000896299578 1043880080 /nfs/dbraw/zinc/88/00/80/1043880080.db2.gz FVODPIAGYGEOGO-JTQLQIEISA-N 1 0 315.642 4.132 20 30 DIEDRO COc1ccc(OC)c([C@H](C)[NH2+]CCCCC2(C#N)CCC2)c1 ZINC000930185885 1043886130 /nfs/dbraw/zinc/88/61/30/1043886130.db2.gz PGTOPFZEZDOTKD-HNNXBMFYSA-N 1 0 316.445 4.219 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CCCCC2(C#N)CCC2)cc1F ZINC000930186045 1043889279 /nfs/dbraw/zinc/88/92/79/1043889279.db2.gz RUHWXPZTTIZSDW-CQSZACIVSA-N 1 0 304.409 4.349 20 30 DIEDRO C#CCCCCC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000878427702 1043891763 /nfs/dbraw/zinc/89/17/63/1043891763.db2.gz NQYMWYGCUBGPIQ-RTBURBONSA-N 1 0 303.421 4.171 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCCCC1(C#N)CCC1 ZINC000930200975 1043892183 /nfs/dbraw/zinc/89/21/83/1043892183.db2.gz HYKMRLGXCUUCRT-AWEZNQCLSA-N 1 0 304.409 4.349 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000127155697 1043896187 /nfs/dbraw/zinc/89/61/87/1043896187.db2.gz DBWRIYVZAOMCNN-RTWAWAEBSA-N 1 0 320.436 4.209 20 30 DIEDRO C#CCCCCC[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000878474707 1043897129 /nfs/dbraw/zinc/89/71/29/1043897129.db2.gz DPPZKXUIWQYSFK-CYBMUJFWSA-N 1 0 305.372 4.276 20 30 DIEDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237383454 1043897633 /nfs/dbraw/zinc/89/76/33/1043897633.db2.gz MDFSBQDNVKMDFS-AEFFLSMTSA-N 1 0 300.446 4.285 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1nc(C2CC2)no1 ZINC000930237231 1043901245 /nfs/dbraw/zinc/90/12/45/1043901245.db2.gz REJFDTGUIBGURR-OAHLLOKOSA-N 1 0 316.449 4.098 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1ccccc1[N+](=O)[O-] ZINC000930236518 1043901497 /nfs/dbraw/zinc/90/14/97/1043901497.db2.gz XMUBTALYXZJDTI-CQSZACIVSA-N 1 0 301.390 4.110 20 30 DIEDRO N#Cc1cncc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000930233442 1043901741 /nfs/dbraw/zinc/90/17/41/1043901741.db2.gz QMLILIDACDUWLG-LJQANCHMSA-N 1 0 309.388 4.113 20 30 DIEDRO CC1(C)CCC[C@H](C[NH2+][C@H](CCCC#N)c2ccccc2)O1 ZINC000878649181 1043911021 /nfs/dbraw/zinc/91/10/21/1043911021.db2.gz WZQVPEWLZOBEMH-QZTJIDSGSA-N 1 0 300.446 4.359 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCCC1(C#N)CCC1)[C@H](O)c1ccccc1 ZINC000930436631 1043925947 /nfs/dbraw/zinc/92/59/47/1043925947.db2.gz HMKVVMCFPDQOMB-RTBURBONSA-N 1 0 314.473 4.198 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCCC1(C#N)CCC1)[C@@H](O)c1ccccc1 ZINC000930436629 1043926172 /nfs/dbraw/zinc/92/61/72/1043926172.db2.gz HMKVVMCFPDQOMB-OALUTQOASA-N 1 0 314.473 4.198 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000896516611 1043929125 /nfs/dbraw/zinc/92/91/25/1043929125.db2.gz QMXXWALKMYVAOI-AWEZNQCLSA-N 1 0 317.502 4.141 20 30 DIEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000290326518 1043940570 /nfs/dbraw/zinc/94/05/70/1043940570.db2.gz DJLFYXZBIGUFMO-SFHVURJKSA-N 1 0 308.429 4.016 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000290326509 1043941115 /nfs/dbraw/zinc/94/11/15/1043941115.db2.gz DJLFYXZBIGUFMO-GOSISDBHSA-N 1 0 308.429 4.016 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)CC1 ZINC000930655106 1043951763 /nfs/dbraw/zinc/95/17/63/1043951763.db2.gz NENODJBYEJMAQM-LADRWXRNSA-N 1 0 322.456 4.420 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3cccc(C#N)c3)c[nH]c2c1 ZINC000561455713 1043953867 /nfs/dbraw/zinc/95/38/67/1043953867.db2.gz QXXCIXJIFZWOES-HNNXBMFYSA-N 1 0 303.409 4.241 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Br)cc2cccnc21)C1CC1 ZINC000357525655 1043959397 /nfs/dbraw/zinc/95/93/97/1043959397.db2.gz FCRFOVMXHVXEIF-UHFFFAOYSA-N 1 0 317.230 4.148 20 30 DIEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357554077 1043961901 /nfs/dbraw/zinc/96/19/01/1043961901.db2.gz QZLUVWQSGNFIHN-HZPDHXFCSA-N 1 0 323.440 4.001 20 30 DIEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357554075 1043962303 /nfs/dbraw/zinc/96/23/03/1043962303.db2.gz QZLUVWQSGNFIHN-HOTGVXAUSA-N 1 0 323.440 4.001 20 30 DIEDRO CCCCCCCCC[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000777940216 1043965397 /nfs/dbraw/zinc/96/53/97/1043965397.db2.gz UQLIPDNDCWQKOU-UHFFFAOYSA-N 1 0 318.509 4.128 20 30 DIEDRO CC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(OC)c1OC ZINC000879466967 1043967097 /nfs/dbraw/zinc/96/70/97/1043967097.db2.gz YFZDMQLTAXWRMZ-MRXNPFEDSA-N 1 0 318.461 4.465 20 30 DIEDRO N#CC1(CCCC[NH2+][C@@H](Cc2ccccc2)c2ncco2)CCC1 ZINC000930895968 1043973492 /nfs/dbraw/zinc/97/34/92/1043973492.db2.gz ZYXGURGLVDWSEV-SFHVURJKSA-N 1 0 323.440 4.412 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879672406 1043979832 /nfs/dbraw/zinc/97/98/32/1043979832.db2.gz VFSGWJKIGMGUKK-ZIAGYGMSSA-N 1 0 314.738 4.198 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CCC1 ZINC000931024696 1043983094 /nfs/dbraw/zinc/98/30/94/1043983094.db2.gz IRQOXYAFWPVEBN-QZTJIDSGSA-N 1 0 304.478 4.132 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC([C@@H]3CCCCO3)CC2)CCC1 ZINC000931026528 1043983274 /nfs/dbraw/zinc/98/32/74/1043983274.db2.gz XFPAKCKVESQVNZ-SFHVURJKSA-N 1 0 304.478 4.132 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000879731263 1043987258 /nfs/dbraw/zinc/98/72/58/1043987258.db2.gz KSROFXOMMHPWJS-INIZCTEOSA-N 1 0 300.446 4.205 20 30 DIEDRO CCCCCCCCCN1CCc2nc[nH]c2C12CCOCC2 ZINC000931107822 1043991401 /nfs/dbraw/zinc/99/14/01/1043991401.db2.gz MWQWTGQOQCQJIK-UHFFFAOYSA-N 1 0 319.493 4.024 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000931171442 1043998638 /nfs/dbraw/zinc/99/86/38/1043998638.db2.gz BFLLIOSHUOKMPP-HXUWFJFHSA-N 1 0 305.425 4.201 20 30 DIEDRO C=CCSCC[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000358037722 1044008916 /nfs/dbraw/zinc/00/89/16/1044008916.db2.gz MZZGRUJNFRZTIH-AWEZNQCLSA-N 1 0 301.402 4.248 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)C[C@H](C)C(C)(C)C)c1ccccc1 ZINC000880075757 1044010286 /nfs/dbraw/zinc/01/02/86/1044010286.db2.gz GWCJENJJNUVJKI-JXFKEZNVSA-N 1 0 314.473 4.041 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(C(F)(F)F)nc1 ZINC000880103587 1044013076 /nfs/dbraw/zinc/01/30/76/1044013076.db2.gz UAHUTNMPTJYQJT-LBPRGKRZSA-N 1 0 313.367 4.471 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371435 1044018523 /nfs/dbraw/zinc/01/85/23/1044018523.db2.gz BHYRTLHTRLCQPT-INIZCTEOSA-N 1 0 324.472 4.462 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CCC1 ZINC000931467255 1044030450 /nfs/dbraw/zinc/03/04/50/1044030450.db2.gz ICKLMGIZNMSLRU-MOPGFXCFSA-N 1 0 312.457 4.049 20 30 DIEDRO CC1(C)C[N@H+](CCOc2ccccc2C#N)[C@H]1c1cccs1 ZINC000561960649 1044036083 /nfs/dbraw/zinc/03/60/83/1044036083.db2.gz UCENQXZBPZKLAB-KRWDZBQOSA-N 1 0 312.438 4.082 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cccc(C(=O)OC)n1)c1ccccc1 ZINC000880390199 1044038292 /nfs/dbraw/zinc/03/82/92/1044038292.db2.gz OEHGNTAEFJUFNB-GOSISDBHSA-N 1 0 324.424 4.055 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1 ZINC000880457983 1044041720 /nfs/dbraw/zinc/04/17/20/1044041720.db2.gz LJUWYXXGUNJTTR-UHFFFAOYSA-N 1 0 312.457 4.023 20 30 DIEDRO CC(C)c1cc([C@@H]2CCC[N@H+](CC3CCC(C#N)CC3)C2)[nH]n1 ZINC000931609112 1044049991 /nfs/dbraw/zinc/04/99/91/1044049991.db2.gz ZTKKPFQUKXFLFZ-OFLPRAFFSA-N 1 0 314.477 4.042 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000522627550 1044054136 /nfs/dbraw/zinc/05/41/36/1044054136.db2.gz MKBXBUCZWDWVAD-QFBILLFUSA-N 1 0 308.425 4.229 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000358362189 1044060475 /nfs/dbraw/zinc/06/04/75/1044060475.db2.gz DWCNGCMDHOEASK-HNNXBMFYSA-N 1 0 311.878 4.449 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCSc1ccccc1)CC2 ZINC000562081104 1044062164 /nfs/dbraw/zinc/06/21/64/1044062164.db2.gz IWEVCZJTFJKODT-LJQANCHMSA-N 1 0 308.450 4.318 20 30 DIEDRO CC(C)[N@H+](CCCCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000475048475 1044079263 /nfs/dbraw/zinc/07/92/63/1044079263.db2.gz PCMIHZRYMSOAAH-UHFFFAOYSA-N 1 0 302.462 4.364 20 30 DIEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000562202110 1044083102 /nfs/dbraw/zinc/08/31/02/1044083102.db2.gz KDBQIJFXTMGFKW-VXGBXAGGSA-N 1 0 319.861 4.292 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000280941648 1044085948 /nfs/dbraw/zinc/08/59/48/1044085948.db2.gz WBJNIYPQKSIWFC-XUWXXGDYSA-N 1 0 315.413 4.073 20 30 DIEDRO C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCCC#N)C1 ZINC000358979052 1044118102 /nfs/dbraw/zinc/11/81/02/1044118102.db2.gz GAOUPDFMJVKXIW-LRDDRELGSA-N 1 0 321.262 4.356 20 30 DIEDRO CC[C@@H]([NH2+]CC1(C)CCC(OC)CC1)c1ccc(C#N)cc1 ZINC000359004133 1044119809 /nfs/dbraw/zinc/11/98/09/1044119809.db2.gz SVZQBRKYGLBHMA-JLAWEPINSA-N 1 0 300.446 4.194 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OC ZINC000129504682 1044158712 /nfs/dbraw/zinc/15/87/12/1044158712.db2.gz WBNLWDVNGGUDSB-MAUKXSAKSA-N 1 0 324.424 4.227 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)Nc1ccccc1 ZINC000562906721 1044177975 /nfs/dbraw/zinc/17/79/75/1044177975.db2.gz GNVPEYWFOSOHMT-LEWJYISDSA-N 1 0 319.452 4.272 20 30 DIEDRO C#CCC1([NH2+]Cc2ncc(-c3cccc(Cl)c3)o2)CCC1 ZINC000933301835 1044192062 /nfs/dbraw/zinc/19/20/62/1044192062.db2.gz CLPYGZVKHVJDTE-UHFFFAOYSA-N 1 0 300.789 4.031 20 30 DIEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1cc(Cl)cc2c1OCC2 ZINC000933276608 1044192511 /nfs/dbraw/zinc/19/25/11/1044192511.db2.gz YAEHBYFWBCHZJI-LBPRGKRZSA-N 1 0 306.837 4.255 20 30 DIEDRO C#CCC1([NH2+][C@H](C)c2nc3ccccc3n2C(F)F)CCC1 ZINC000933298483 1044192716 /nfs/dbraw/zinc/19/27/16/1044192716.db2.gz AXLXEMDNMVKXMF-GFCCVEGCSA-N 1 0 303.356 4.028 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1cccc(C)c1O)c1ccc(F)c(F)c1 ZINC000187445622 1044194167 /nfs/dbraw/zinc/19/41/67/1044194167.db2.gz RQECVKFGZCSENK-QGZVFWFLSA-N 1 0 303.352 4.386 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(F)c(F)c1 ZINC000187444455 1044194382 /nfs/dbraw/zinc/19/43/82/1044194382.db2.gz SDZKPLHRXQAGNF-QGZVFWFLSA-N 1 0 307.315 4.217 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000130488253 1044204499 /nfs/dbraw/zinc/20/44/99/1044204499.db2.gz GVPGDXXMVIZHRR-JXFKEZNVSA-N 1 0 319.408 4.112 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714545 1044207408 /nfs/dbraw/zinc/20/74/08/1044207408.db2.gz JAGWGXJBXNAOKB-CYBMUJFWSA-N 1 0 313.367 4.031 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(C(C)C)cc32)cc1C#N ZINC000778209328 1044220356 /nfs/dbraw/zinc/22/03/56/1044220356.db2.gz NDRCTALVSJYVAT-FQEVSTJZSA-N 1 0 320.436 4.467 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2SC)cc1C#N ZINC000281982161 1044226635 /nfs/dbraw/zinc/22/66/35/1044226635.db2.gz KSRSVFKYKHDIJR-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)[C@H]1CCCO1 ZINC000883218647 1044236011 /nfs/dbraw/zinc/23/60/11/1044236011.db2.gz FGBWUGROGSNYHH-OPQOLIRYSA-N 1 0 309.494 4.074 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cccn(CC)c1=O)c1ccccc1 ZINC000883218873 1044236790 /nfs/dbraw/zinc/23/67/90/1044236790.db2.gz IRBDFDZCYYPTDE-LJQANCHMSA-N 1 0 310.441 4.055 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cccn(CC)c1=O)c1ccccc1 ZINC000883218872 1044237713 /nfs/dbraw/zinc/23/77/13/1044237713.db2.gz IRBDFDZCYYPTDE-IBGZPJMESA-N 1 0 310.441 4.055 20 30 DIEDRO C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000883216107 1044237759 /nfs/dbraw/zinc/23/77/59/1044237759.db2.gz LDYFPWZDISCRKR-XJKSGUPXSA-N 1 0 301.459 4.075 20 30 DIEDRO C=CCC[C@H](Cc1ccccc1)[NH2+]Cc1nnc(C2CC2)s1 ZINC000883229721 1044239232 /nfs/dbraw/zinc/23/92/32/1044239232.db2.gz PRPPTDRRTARVFC-MRXNPFEDSA-N 1 0 313.470 4.083 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccccc1 ZINC000883236222 1044240753 /nfs/dbraw/zinc/24/07/53/1044240753.db2.gz WJKVAQCAZBGIGL-IBGZPJMESA-N 1 0 309.457 4.485 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934416972 1044248541 /nfs/dbraw/zinc/24/85/41/1044248541.db2.gz AXCLFEKSRRYFIF-UHFFFAOYSA-N 1 0 318.848 4.175 20 30 DIEDRO COc1ccc(C2CC2)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000883266131 1044253281 /nfs/dbraw/zinc/25/32/81/1044253281.db2.gz SMAUUVNBSMBISR-CQSZACIVSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnc([C@@H](C)O)s1)c1ccccc1 ZINC000883324751 1044273408 /nfs/dbraw/zinc/27/34/08/1044273408.db2.gz CDUFRKSJMZVSQR-RHSMWYFYSA-N 1 0 316.470 4.384 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000840786629 1044283594 /nfs/dbraw/zinc/28/35/94/1044283594.db2.gz SPFMMZCJXWJZON-AWEZNQCLSA-N 1 0 306.837 4.408 20 30 DIEDRO CCSCC[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360646344 1044293478 /nfs/dbraw/zinc/29/34/78/1044293478.db2.gz HUDOGEUKBUVMBI-RDTXWAMCSA-N 1 0 302.487 4.447 20 30 DIEDRO CCc1noc(CC)c1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360650534 1044293601 /nfs/dbraw/zinc/29/36/01/1044293601.db2.gz YFBIAKBMXGASTE-LJQANCHMSA-N 1 0 323.440 4.228 20 30 DIEDRO C[C@@]1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCCS1 ZINC000360662033 1044295647 /nfs/dbraw/zinc/29/56/47/1044295647.db2.gz DEKHLKVUKBVQNH-MSOLQXFVSA-N 1 0 300.471 4.201 20 30 DIEDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000360656571 1044295914 /nfs/dbraw/zinc/29/59/14/1044295914.db2.gz IWVONDHGMCPGPP-IHPCNDPISA-N 1 0 312.457 4.119 20 30 DIEDRO CN(C)c1ccccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360658668 1044296238 /nfs/dbraw/zinc/29/62/38/1044296238.db2.gz UPPKQVZPMVGGFI-FQEVSTJZSA-N 1 0 319.452 4.182 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883384622 1044296520 /nfs/dbraw/zinc/29/65/20/1044296520.db2.gz VXHODDRCIXGIGZ-AEFFLSMTSA-N 1 0 315.457 4.394 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000360657930 1044296558 /nfs/dbraw/zinc/29/65/58/1044296558.db2.gz PRFBRLUBAIFHHA-SFHVURJKSA-N 1 0 321.380 4.024 20 30 DIEDRO C[C@]1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCCS1 ZINC000360662036 1044297331 /nfs/dbraw/zinc/29/73/31/1044297331.db2.gz DEKHLKVUKBVQNH-ZWKOTPCHSA-N 1 0 300.471 4.201 20 30 DIEDRO COc1cc(F)cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360658765 1044297625 /nfs/dbraw/zinc/29/76/25/1044297625.db2.gz UZOXUYVZPDZCKK-FQEVSTJZSA-N 1 0 324.399 4.263 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(F)cc1F ZINC000360842148 1044317108 /nfs/dbraw/zinc/31/71/08/1044317108.db2.gz VNYAGRWBAPMPQQ-IBGZPJMESA-N 1 0 312.363 4.394 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cc(F)ccc1F ZINC000360840013 1044317545 /nfs/dbraw/zinc/31/75/45/1044317545.db2.gz KHLBBZRVFNKGLL-IBGZPJMESA-N 1 0 312.363 4.394 20 30 DIEDRO C[C@]1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCO[C@@H]1C1CC1 ZINC000360870291 1044319304 /nfs/dbraw/zinc/31/93/04/1044319304.db2.gz GKOMRXIXLMKEJL-PWRODBHTSA-N 1 0 324.468 4.121 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475288074 1044345601 /nfs/dbraw/zinc/34/56/01/1044345601.db2.gz QUARZUWJDDXTDG-UXHICEINSA-N 1 0 300.490 4.233 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000564144995 1044348721 /nfs/dbraw/zinc/34/87/21/1044348721.db2.gz YJLRSIHBHAGWMJ-FOIQADDNSA-N 1 0 308.400 4.475 20 30 DIEDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)ccc1C#N ZINC001202561303 1044352293 /nfs/dbraw/zinc/35/22/93/1044352293.db2.gz SPNLXZAXDJWBEF-UXHICEINSA-N 1 0 320.436 4.240 20 30 DIEDRO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000840859010 1044396276 /nfs/dbraw/zinc/39/62/76/1044396276.db2.gz UJRHHRURCCAYQZ-HNNXBMFYSA-N 1 0 323.440 4.132 20 30 DIEDRO COc1ccc([C@@H](CCC#N)[NH2+]CCc2ccc(C)cc2)cc1 ZINC000564704249 1044400561 /nfs/dbraw/zinc/40/05/61/1044400561.db2.gz VYNKHNMQLMJMSH-HXUWFJFHSA-N 1 0 308.425 4.181 20 30 DIEDRO N#CC1(CC[NH2+]C2(c3ccccc3)CCOCC2)CCCCC1 ZINC000564712197 1044400569 /nfs/dbraw/zinc/40/05/69/1044400569.db2.gz IOMMEECLTLKUAB-UHFFFAOYSA-N 1 0 312.457 4.146 20 30 DIEDRO C#CCC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000778455721 1044409574 /nfs/dbraw/zinc/40/95/74/1044409574.db2.gz ZONZAPRBIOWAJM-GFCCVEGCSA-N 1 0 320.152 4.056 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000133528853 1044410711 /nfs/dbraw/zinc/41/07/11/1044410711.db2.gz KIGCSFDRNBSIIP-OXJNMPFZSA-N 1 0 321.420 4.263 20 30 DIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361507925 1044412819 /nfs/dbraw/zinc/41/28/19/1044412819.db2.gz HECBCTGBEYJJDG-LBPRGKRZSA-N 1 0 321.346 4.109 20 30 DIEDRO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cccc(C#N)c1 ZINC000186416228 1044415286 /nfs/dbraw/zinc/41/52/86/1044415286.db2.gz GSZYWMBTKCXUIG-CQSZACIVSA-N 1 0 321.399 4.082 20 30 DIEDRO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000361552273 1044417359 /nfs/dbraw/zinc/41/73/59/1044417359.db2.gz KJPFAMALMIQZIQ-RDTXWAMCSA-N 1 0 311.429 4.025 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)ccn1 ZINC000565218256 1044421070 /nfs/dbraw/zinc/42/10/70/1044421070.db2.gz MHPHOLXZGVBDRX-YJBOKZPZSA-N 1 0 309.413 4.176 20 30 DIEDRO N#Cc1ncccc1SCc1cccc(C[NH+]2CCCCC2)c1 ZINC000565216445 1044421247 /nfs/dbraw/zinc/42/12/47/1044421247.db2.gz QANSMGVUAVJQCV-UHFFFAOYSA-N 1 0 323.465 4.231 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1F ZINC000361689553 1044432016 /nfs/dbraw/zinc/43/20/16/1044432016.db2.gz NSRXMBSEQIWHNV-IBGZPJMESA-N 1 0 309.388 4.210 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)cc1F ZINC000361689554 1044432279 /nfs/dbraw/zinc/43/22/79/1044432279.db2.gz NSRXMBSEQIWHNV-LJQANCHMSA-N 1 0 309.388 4.210 20 30 DIEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC001202676350 1044461130 /nfs/dbraw/zinc/46/11/30/1044461130.db2.gz KTXCAFJUOYFTJD-QFBILLFUSA-N 1 0 300.446 4.428 20 30 DIEDRO N#CCC[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000362033079 1044472211 /nfs/dbraw/zinc/47/22/11/1044472211.db2.gz SCGMZFJDMVEEGD-HKUYNNGSSA-N 1 0 306.409 4.187 20 30 DIEDRO CC(C)CCOC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393463 1044484298 /nfs/dbraw/zinc/48/42/98/1044484298.db2.gz KWLBWAOACYYKEJ-INIZCTEOSA-N 1 0 300.446 4.146 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(C#N)cc1 ZINC000348319028 1044504966 /nfs/dbraw/zinc/50/49/66/1044504966.db2.gz LKMDZPWSNPUDED-LWLIDHTLSA-N 1 0 310.372 4.260 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCCCNc2ccccc2)c1 ZINC000303982478 1044524804 /nfs/dbraw/zinc/52/48/04/1044524804.db2.gz QDEDKTCAGURFKN-UHFFFAOYSA-N 1 0 310.445 4.039 20 30 DIEDRO C=C(Br)C[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000134402475 1044526776 /nfs/dbraw/zinc/52/67/76/1044526776.db2.gz LDPJLPLZDMAHDJ-UHFFFAOYSA-N 1 0 312.251 4.110 20 30 DIEDRO COc1cc(C)ccc1CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000304999270 1044534026 /nfs/dbraw/zinc/53/40/26/1044534026.db2.gz NBKTVMUHRTWLNO-UHFFFAOYSA-N 1 0 311.429 4.054 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000567120986 1044544363 /nfs/dbraw/zinc/54/43/63/1044544363.db2.gz VNVXJWJVTRJBSH-VQTJNVASSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@@H](C#N)C[N@H+](C)CC(Cc1ccccc1)Cc1ccccc1 ZINC000567205587 1044551444 /nfs/dbraw/zinc/55/14/44/1044551444.db2.gz QMTBZJDTUQYORB-SFHVURJKSA-N 1 0 306.453 4.179 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000567225233 1044552289 /nfs/dbraw/zinc/55/22/89/1044552289.db2.gz BRGGXEHNXMYKGE-LEWJYISDSA-N 1 0 318.420 4.295 20 30 DIEDRO CSc1ccccc1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000348332747 1044553542 /nfs/dbraw/zinc/55/35/42/1044553542.db2.gz VXLVCXGHOXAFNA-UHFFFAOYSA-N 1 0 300.402 4.051 20 30 DIEDRO Cc1ccc2nc(C[N@H+](C)Cc3ccc(C#N)cc3)ccc2c1 ZINC001137214596 1044553639 /nfs/dbraw/zinc/55/36/39/1044553639.db2.gz WBXXTEDHUVKZBM-UHFFFAOYSA-N 1 0 301.393 4.047 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccco1 ZINC000353515784 1044576692 /nfs/dbraw/zinc/57/66/92/1044576692.db2.gz FKWYSYJEIBPHQK-BBRMVZONSA-N 1 0 313.401 4.128 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)CCOc1ccc(Cl)cc1 ZINC000444599629 1044576909 /nfs/dbraw/zinc/57/69/09/1044576909.db2.gz UVYYTSUSYFFIDP-UHFFFAOYSA-N 1 0 308.853 4.371 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000444630400 1044579339 /nfs/dbraw/zinc/57/93/39/1044579339.db2.gz ZZNWEBHUBPUFEU-IBGZPJMESA-N 1 0 319.537 4.294 20 30 DIEDRO COc1cncc(/C=C\CC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000567790202 1044584861 /nfs/dbraw/zinc/58/48/61/1044584861.db2.gz RTKSTOOIAIYZCW-OUOZUETKSA-N 1 0 321.424 4.058 20 30 DIEDRO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCC[C@H]1C ZINC000444673705 1044598755 /nfs/dbraw/zinc/59/87/55/1044598755.db2.gz ITNKBLVSOPQTDN-PBHICJAKSA-N 1 0 324.428 4.009 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886099155 1044607434 /nfs/dbraw/zinc/60/74/34/1044607434.db2.gz VYKLMPPGIPLRIO-IEBWSBKVSA-N 1 0 310.441 4.017 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccccc2C#N)C(C)(C)C)cc1 ZINC000568321841 1044616469 /nfs/dbraw/zinc/61/64/69/1044616469.db2.gz CRKOMUVARFILCE-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCOc1ccc(F)cc1)CC2 ZINC000568332880 1044617609 /nfs/dbraw/zinc/61/76/09/1044617609.db2.gz XKMHCGXUWLNEKS-FQEVSTJZSA-N 1 0 324.399 4.133 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000568393077 1044621754 /nfs/dbraw/zinc/62/17/54/1044621754.db2.gz WFGOGAKZFMJCQE-FQEVSTJZSA-N 1 0 315.420 4.401 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnc(C2CC2)s1 ZINC000568371441 1044621883 /nfs/dbraw/zinc/62/18/83/1044621883.db2.gz DYGCNCPLDCBSFM-KRWDZBQOSA-N 1 0 309.438 4.059 20 30 DIEDRO C=C(C)C[C@H](C)c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000568441979 1044625900 /nfs/dbraw/zinc/62/59/00/1044625900.db2.gz SBQHBUZHCHNTKL-LBPRGKRZSA-N 1 0 303.381 4.007 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2nnc(-c3ccccc3)n2C)CCCC1(C)C ZINC000444776183 1044625484 /nfs/dbraw/zinc/62/54/84/1044625484.db2.gz BIAFOYVBSOMATP-QGZVFWFLSA-N 1 0 324.472 4.049 20 30 DIEDRO N#CC1(C[C@H](O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CCC1 ZINC000886241364 1044629298 /nfs/dbraw/zinc/62/92/98/1044629298.db2.gz WNKXDAYCXXAFNC-OALUTQOASA-N 1 0 324.468 4.049 20 30 DIEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2c(C)cccc2C)CCCC1(C)C ZINC000444786384 1044630265 /nfs/dbraw/zinc/63/02/65/1044630265.db2.gz NUGSCLNFWIAVCM-QGZVFWFLSA-N 1 0 314.473 4.309 20 30 DIEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+](CCC/C=C\CC)CC2)C1=O ZINC001275844907 1044635153 /nfs/dbraw/zinc/63/51/53/1044635153.db2.gz WUASRMQAHWQALL-PRPIBZDOSA-N 1 0 318.505 4.014 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c(OC(C)C)c1 ZINC000568569543 1044636449 /nfs/dbraw/zinc/63/64/49/1044636449.db2.gz WPZPFROHYDSPMX-FQEVSTJZSA-N 1 0 320.436 4.431 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)cc1 ZINC000886505374 1044647871 /nfs/dbraw/zinc/64/78/71/1044647871.db2.gz YHSLVQLVLHFSOE-IBGZPJMESA-N 1 0 319.383 4.346 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000568791726 1044650787 /nfs/dbraw/zinc/65/07/87/1044650787.db2.gz BLUBUFXFDQSSHJ-MNOVXSKESA-N 1 0 300.215 4.073 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000886542487 1044658600 /nfs/dbraw/zinc/65/86/00/1044658600.db2.gz AWMQWSOJRINYME-IEBWSBKVSA-N 1 0 312.457 4.170 20 30 DIEDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000886614476 1044668867 /nfs/dbraw/zinc/66/88/67/1044668867.db2.gz YCNDWEWHNJZYEY-OTWHNJEPSA-N 1 0 300.446 4.359 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617742 1044670938 /nfs/dbraw/zinc/67/09/38/1044670938.db2.gz XHFAGBZPOABEMP-ZFWWWQNUSA-N 1 0 302.384 4.371 20 30 DIEDRO N#CCSCCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000072513323 1044671813 /nfs/dbraw/zinc/67/18/13/1044671813.db2.gz ITDGEASMPILCKC-AWEZNQCLSA-N 1 0 317.483 4.080 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1Cl ZINC000072513356 1044673281 /nfs/dbraw/zinc/67/32/81/1044673281.db2.gz PTZRNQYRSJZNML-JTQLQIEISA-N 1 0 303.258 4.291 20 30 DIEDRO N#CCSCCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072513324 1044672848 /nfs/dbraw/zinc/67/28/48/1044672848.db2.gz ITDGEASMPILCKC-CQSZACIVSA-N 1 0 317.483 4.080 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1ccccn1 ZINC000886687871 1044681142 /nfs/dbraw/zinc/68/11/42/1044681142.db2.gz GSLRKMIKSVTRBK-MRXNPFEDSA-N 1 0 311.454 4.306 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1cccnc1 ZINC000886689785 1044681265 /nfs/dbraw/zinc/68/12/65/1044681265.db2.gz HQQZPDMUWBQACJ-QGZVFWFLSA-N 1 0 311.454 4.306 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1ccccc1O ZINC000886689529 1044681297 /nfs/dbraw/zinc/68/12/97/1044681297.db2.gz BUQYTSLXLJQWOU-MRXNPFEDSA-N 1 0 312.438 4.227 20 30 DIEDRO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886688621 1044681390 /nfs/dbraw/zinc/68/13/90/1044681390.db2.gz WJHJCMZMVORTJP-ZDUSSCGKSA-N 1 0 311.454 4.088 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1C#N ZINC000886690270 1044681773 /nfs/dbraw/zinc/68/17/73/1044681773.db2.gz SNGQPFNBNKYNBA-CYBMUJFWSA-N 1 0 312.438 4.145 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1cccnc1 ZINC000886689784 1044681847 /nfs/dbraw/zinc/68/18/47/1044681847.db2.gz HQQZPDMUWBQACJ-KRWDZBQOSA-N 1 0 311.454 4.306 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCCNc3ccccc32)cc1C#N ZINC000886689524 1044681865 /nfs/dbraw/zinc/68/18/65/1044681865.db2.gz BNJSJGRNURMKLW-SFHVURJKSA-N 1 0 323.465 4.317 20 30 DIEDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCCSCC#N)C2CC2)o1 ZINC000074980545 1044686507 /nfs/dbraw/zinc/68/65/07/1044686507.db2.gz POLSTYLQSLFLFO-CZUORRHYSA-N 1 0 304.459 4.014 20 30 DIEDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCCSCC#N)C2CC2)o1 ZINC000074980546 1044687468 /nfs/dbraw/zinc/68/74/68/1044687468.db2.gz POLSTYLQSLFLFO-XJKSGUPXSA-N 1 0 304.459 4.014 20 30 DIEDRO C=CCCCC[N@@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000569307704 1044693332 /nfs/dbraw/zinc/69/33/32/1044693332.db2.gz OIHWNEYGZGRBQS-UHFFFAOYSA-N 1 0 317.473 4.157 20 30 DIEDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C[C@@H]21 ZINC000569634801 1044700744 /nfs/dbraw/zinc/70/07/44/1044700744.db2.gz AEQSLZDJGRBARK-BGYRXZFFSA-N 1 0 302.421 4.313 20 30 DIEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CCCCC(C)(C)C#N)C1 ZINC000365799358 1044703353 /nfs/dbraw/zinc/70/33/53/1044703353.db2.gz MFYJDGUBPMXCFY-MKXGPGLRSA-N 1 0 320.521 4.358 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000080533585 1044716864 /nfs/dbraw/zinc/71/68/64/1044716864.db2.gz HAINLVQFJCFYCQ-OALUTQOASA-N 1 0 314.473 4.382 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000886926288 1044720386 /nfs/dbraw/zinc/72/03/86/1044720386.db2.gz IGUJBSZMKHNDMN-LJQANCHMSA-N 1 0 308.400 4.404 20 30 DIEDRO C=C(Br)C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000221296544 1044726990 /nfs/dbraw/zinc/72/69/90/1044726990.db2.gz DUKOZORHFWTKQA-UHFFFAOYSA-N 1 0 316.242 4.317 20 30 DIEDRO CC(C)n1ncc2c1[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000368158816 1044767896 /nfs/dbraw/zinc/76/78/96/1044767896.db2.gz JAONHXNYFXHSTH-KSSFIOAISA-N 1 0 308.429 4.064 20 30 DIEDRO CC(C)Oc1cc(C[N@H+](CCCC(C)(C)C#N)C2CC2)ccn1 ZINC000122373504 1044774203 /nfs/dbraw/zinc/77/42/03/1044774203.db2.gz BGJMJWYCIPUXJX-UHFFFAOYSA-N 1 0 315.461 4.163 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000524251911 1044779917 /nfs/dbraw/zinc/77/99/17/1044779917.db2.gz RUJWZDHSSCXHQP-PKOBYXMFSA-N 1 0 320.436 4.124 20 30 DIEDRO N#Cc1cccc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000570825759 1044785163 /nfs/dbraw/zinc/78/51/63/1044785163.db2.gz VWJZEQLLRJTMCI-KRWDZBQOSA-N 1 0 318.342 4.069 20 30 DIEDRO N#CCCCC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000125305140 1044799525 /nfs/dbraw/zinc/79/95/25/1044799525.db2.gz UVHWAFFWSSLQPQ-UHFFFAOYSA-N 1 0 313.264 4.169 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000370077991 1044824648 /nfs/dbraw/zinc/82/46/48/1044824648.db2.gz POEYVSBREPBIFF-CQSZACIVSA-N 1 0 324.449 4.276 20 30 DIEDRO C[C@H](c1cccnc1)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000127760859 1044829226 /nfs/dbraw/zinc/82/92/26/1044829226.db2.gz GPAHZIKVIIEPNV-CQSZACIVSA-N 1 0 318.342 4.145 20 30 DIEDRO CC1=C(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000370526407 1044839195 /nfs/dbraw/zinc/83/91/95/1044839195.db2.gz DMRQZQZDQMQJNK-UHFFFAOYSA-N 1 0 320.440 4.006 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000264073478 1044848394 /nfs/dbraw/zinc/84/83/94/1044848394.db2.gz BZVSFCMQLMNLFF-MRXNPFEDSA-N 1 0 324.424 4.181 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445905185 1044849250 /nfs/dbraw/zinc/84/92/50/1044849250.db2.gz WWMXRRYQWWUHMX-AWEZNQCLSA-N 1 0 310.235 4.171 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@]2(C)CCCO)cc1Cl ZINC000572921564 1044885485 /nfs/dbraw/zinc/88/54/85/1044885485.db2.gz PIQODDJJPPADRV-GOSISDBHSA-N 1 0 323.864 4.032 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCC[C@H](c4cccnc4)C3)CC2)c1 ZINC000337488980 1044907945 /nfs/dbraw/zinc/90/79/45/1044907945.db2.gz UURGTPUXARJULM-PXNSSMCTSA-N 1 0 317.436 4.258 20 30 DIEDRO CC(C)(C)CCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000573749615 1044919057 /nfs/dbraw/zinc/91/90/57/1044919057.db2.gz QIXMNDQGFKEDFV-UHFFFAOYSA-N 1 0 313.489 4.333 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000573886261 1044929794 /nfs/dbraw/zinc/92/97/94/1044929794.db2.gz FMMBVPULUCRPSQ-UXHICEINSA-N 1 0 308.400 4.318 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1ccc(C#N)cc1 ZINC000373209462 1044951315 /nfs/dbraw/zinc/95/13/15/1044951315.db2.gz WFYFONLPIFYMIH-NVXWUHKLSA-N 1 0 311.454 4.442 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccncc1F ZINC000338032946 1044974333 /nfs/dbraw/zinc/97/43/33/1044974333.db2.gz XFKHQMFWHILLEB-XRTORIHISA-N 1 0 323.415 4.275 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373494751 1044983038 /nfs/dbraw/zinc/98/30/38/1044983038.db2.gz LIVMQTCVDXSIFZ-QQFBHYJXSA-N 1 0 318.427 4.126 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000283032864 1044998737 /nfs/dbraw/zinc/99/87/37/1044998737.db2.gz NHHJZJXAZIGMPJ-ZDUSSCGKSA-N 1 0 314.376 4.174 20 30 DIEDRO C[C@H]1C[C@@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000047045206 1045005864 /nfs/dbraw/zinc/00/58/64/1045005864.db2.gz NIZVGFFUNURTSI-HRAATJIYSA-N 1 0 315.420 4.088 20 30 DIEDRO CC(C)[N@H+](CCc1nccs1)CCC1(C#N)CCCCC1 ZINC000411401831 1045006876 /nfs/dbraw/zinc/00/68/76/1045006876.db2.gz NOFIRIFEUWLUAF-UHFFFAOYSA-N 1 0 305.491 4.260 20 30 DIEDRO C=CCC[C@H]([NH2+]CC[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000411485795 1045011605 /nfs/dbraw/zinc/01/16/05/1045011605.db2.gz RLWVPAOKQYALER-WFASDCNBSA-N 1 0 301.352 4.073 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000525248424 1045015903 /nfs/dbraw/zinc/01/59/03/1045015903.db2.gz WHNBVFCXHRHKAP-HUUCEWRRSA-N 1 0 324.424 4.377 20 30 DIEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000411776932 1045027099 /nfs/dbraw/zinc/02/70/99/1045027099.db2.gz DBSNJHXIPUIUOV-ZFWWWQNUSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H](CCC#N)[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000411799622 1045029855 /nfs/dbraw/zinc/02/98/55/1045029855.db2.gz MNGJAOSEMRSNQC-AWEZNQCLSA-N 1 0 308.828 4.379 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411866111 1045032799 /nfs/dbraw/zinc/03/27/99/1045032799.db2.gz GYOJQTYNHWXXPB-UHFFFAOYSA-N 1 0 314.498 4.349 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CCSC2(CCC2)CC1 ZINC000411875407 1045034413 /nfs/dbraw/zinc/03/44/13/1045034413.db2.gz MLPLEAXXUHQECI-UHFFFAOYSA-N 1 0 306.862 4.073 20 30 DIEDRO N#Cc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)s1 ZINC000374283183 1045044518 /nfs/dbraw/zinc/04/45/18/1045044518.db2.gz LLZZEQVMUDADFI-INIZCTEOSA-N 1 0 323.421 4.488 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC3(CCCCC3)C1)CC2 ZINC000576263263 1045047028 /nfs/dbraw/zinc/04/70/28/1045047028.db2.gz ZYTHRHMNVXYNJB-PKOBYXMFSA-N 1 0 310.441 4.017 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000193324493 1045054151 /nfs/dbraw/zinc/05/41/51/1045054151.db2.gz UESPXURJLCPRQU-BBRMVZONSA-N 1 0 322.374 4.409 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374469765 1045061490 /nfs/dbraw/zinc/06/14/90/1045061490.db2.gz HNUFWWKFJKGWOU-FPOVZHCZSA-N 1 0 323.436 4.119 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000576672700 1045072573 /nfs/dbraw/zinc/07/25/73/1045072573.db2.gz BCHXVBODVVBLHJ-OKZBNKHCSA-N 1 0 300.471 4.199 20 30 DIEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000576790515 1045080118 /nfs/dbraw/zinc/08/01/18/1045080118.db2.gz XVVPVAOUKPCVRS-KDOFPFPSSA-N 1 0 310.397 4.133 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000047697889 1045083285 /nfs/dbraw/zinc/08/32/85/1045083285.db2.gz HTHUELQJKLFIFT-OAHLLOKOSA-N 1 0 306.409 4.025 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000890166008 1045103328 /nfs/dbraw/zinc/10/33/28/1045103328.db2.gz UQVXKVGAXRCWFU-RDJZCZTQSA-N 1 0 314.473 4.207 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001126624789 1045106159 /nfs/dbraw/zinc/10/61/59/1045106159.db2.gz GDTKRDJWJAQFSS-BZSNNMDCSA-N 1 0 310.526 4.362 20 30 DIEDRO CC[N@H+](CCc1ccc2c(c1)CCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000441222085 1045108135 /nfs/dbraw/zinc/10/81/35/1045108135.db2.gz ASRLVOCNIZIAPI-INIZCTEOSA-N 1 0 320.436 4.119 20 30 DIEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CC1 ZINC000600683319 1045126518 /nfs/dbraw/zinc/12/65/18/1045126518.db2.gz SFAZEVVGNZBHRR-HOTGVXAUSA-N 1 0 314.473 4.425 20 30 DIEDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000447391507 1045126660 /nfs/dbraw/zinc/12/66/60/1045126660.db2.gz FXNZTMXFWIPBAA-FQEVSTJZSA-N 1 0 314.473 4.269 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC(C)(C)c1ccc2ccccc2c1 ZINC000600760493 1045135232 /nfs/dbraw/zinc/13/52/32/1045135232.db2.gz UTKPXKVYTNLDBN-IBGZPJMESA-N 1 0 324.468 4.008 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(C#N)cc1 ZINC000447527708 1045137774 /nfs/dbraw/zinc/13/77/74/1045137774.db2.gz FVQKXNKRMMYWPH-LJQANCHMSA-N 1 0 301.393 4.347 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccc(C#N)cc1 ZINC000447530389 1045137823 /nfs/dbraw/zinc/13/78/23/1045137823.db2.gz MNPHPECXZUROGI-LAUBAEHRSA-N 1 0 322.452 4.452 20 30 DIEDRO CC[C@@H]([NH2+]CCc1csc(C(C)C)n1)c1ccc(C#N)cc1 ZINC000447532426 1045138749 /nfs/dbraw/zinc/13/87/49/1045138749.db2.gz VZOLNQVNOJLRPU-QGZVFWFLSA-N 1 0 313.470 4.422 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(C#N)cc1 ZINC000447533927 1045141469 /nfs/dbraw/zinc/14/14/69/1045141469.db2.gz ZJDOVJWBBXVZBD-IBGZPJMESA-N 1 0 301.393 4.347 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCCOc2ccc(Cl)cc2)C1 ZINC000447535274 1045141819 /nfs/dbraw/zinc/14/18/19/1045141819.db2.gz DYXSQISJHVVOGP-GOEBONIOSA-N 1 0 306.837 4.171 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C)N(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447545092 1045145368 /nfs/dbraw/zinc/14/53/68/1045145368.db2.gz XAMWBYLFRCDOGJ-UZLBHIALSA-N 1 0 307.441 4.124 20 30 DIEDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000447569718 1045145874 /nfs/dbraw/zinc/14/58/74/1045145874.db2.gz QHOUUFIPPFPWKG-IFXJQAMLSA-N 1 0 312.388 4.126 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2OC)c1ccc(C#N)cc1 ZINC000447573138 1045147379 /nfs/dbraw/zinc/14/73/79/1045147379.db2.gz GCSXSJWVMQZVPK-OALUTQOASA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@@H]([NH2+]CCOc1ccccc1Cl)c1ccc(C#N)cc1 ZINC000447573726 1045147697 /nfs/dbraw/zinc/14/76/97/1045147697.db2.gz IVCPUUXCLQCNRG-QGZVFWFLSA-N 1 0 314.816 4.331 20 30 DIEDRO CC[C@H]([NH2+]CCOc1ccccc1Cl)c1ccc(C#N)cc1 ZINC000447573725 1045147818 /nfs/dbraw/zinc/14/78/18/1045147818.db2.gz IVCPUUXCLQCNRG-KRWDZBQOSA-N 1 0 314.816 4.331 20 30 DIEDRO CCOc1ccccc1CC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000447582973 1045151188 /nfs/dbraw/zinc/15/11/88/1045151188.db2.gz AKHBLRGCQGLLKL-LJQANCHMSA-N 1 0 308.425 4.240 20 30 DIEDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccc(F)cc2O1 ZINC000447588371 1045154776 /nfs/dbraw/zinc/15/47/76/1045154776.db2.gz UBVPOISDDWNFCU-NOLJZWGESA-N 1 0 302.393 4.100 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000447596279 1045157527 /nfs/dbraw/zinc/15/75/27/1045157527.db2.gz PQFOPCQYVIABQX-NDXORKPFSA-N 1 0 321.468 4.290 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001258044276 1045159011 /nfs/dbraw/zinc/15/90/11/1045159011.db2.gz KUNSMSAMGGNMNE-QLFBSQMISA-N 1 0 309.416 4.371 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCOc1ccccc1 ZINC000577730811 1045167037 /nfs/dbraw/zinc/16/70/37/1045167037.db2.gz ZGYHRDGCGPAUKN-OAQYLSRUSA-N 1 0 320.436 4.384 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000022771739 1045174901 /nfs/dbraw/zinc/17/49/01/1045174901.db2.gz SCMIGJUAEAYEEI-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO C=CCCC[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000447795899 1045175275 /nfs/dbraw/zinc/17/52/75/1045175275.db2.gz QPZFIBUGRXKDTP-SFHVURJKSA-N 1 0 312.388 4.061 20 30 DIEDRO C[C@@H](c1cccs1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000048334926 1045192292 /nfs/dbraw/zinc/19/22/92/1045192292.db2.gz RVWRQADPOPCNEQ-AWEZNQCLSA-N 1 0 300.427 4.082 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@@H](c3ccccc3)O1)CC2 ZINC000577958505 1045193559 /nfs/dbraw/zinc/19/35/59/1045193559.db2.gz OAZOLVBWZZCPLL-NRSPTQNISA-N 1 0 318.420 4.055 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000924712627 1045193459 /nfs/dbraw/zinc/19/34/59/1045193459.db2.gz DDFAFWMENDSTOV-MRXNPFEDSA-N 1 0 323.440 4.079 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000577991729 1045196782 /nfs/dbraw/zinc/19/67/82/1045196782.db2.gz MQYHQIROXCKWQU-HZPDHXFCSA-N 1 0 309.413 4.003 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000527123834 1045199515 /nfs/dbraw/zinc/19/95/15/1045199515.db2.gz OXKQIYTVPXSARJ-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000924880284 1045207246 /nfs/dbraw/zinc/20/72/46/1045207246.db2.gz ACVYOBLSRZNIFP-OAHLLOKOSA-N 1 0 309.413 4.292 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cccc(OC)c1OC ZINC000601266644 1045209335 /nfs/dbraw/zinc/20/93/35/1045209335.db2.gz PSINCCGPXIBBHV-RDTXWAMCSA-N 1 0 324.424 4.377 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000924904231 1045210223 /nfs/dbraw/zinc/21/02/23/1045210223.db2.gz OUNWLPIIRJWVEF-OAHLLOKOSA-N 1 0 302.462 4.420 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(OC)c1OC ZINC000601280885 1045210882 /nfs/dbraw/zinc/21/08/82/1045210882.db2.gz SLQMMOGCMKNERV-OAHLLOKOSA-N 1 0 304.434 4.074 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccnn1CC1CCC1)c1ccncc1 ZINC000925076068 1045224750 /nfs/dbraw/zinc/22/47/50/1045224750.db2.gz SYUNBILYTJCJTJ-QAPCUYQASA-N 1 0 310.445 4.046 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000780781213 1045232342 /nfs/dbraw/zinc/23/23/42/1045232342.db2.gz IAKLMKXCHPJUNR-UHFFFAOYSA-N 1 0 314.376 4.424 20 30 DIEDRO CC1CCC([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000578383595 1045237296 /nfs/dbraw/zinc/23/72/96/1045237296.db2.gz SKVSEJPPBLGPMQ-UHFFFAOYSA-N 1 0 312.457 4.417 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000527724420 1045253374 /nfs/dbraw/zinc/25/33/74/1045253374.db2.gz NOKIDAIVCSIPOW-UHFFFAOYSA-N 1 0 310.344 4.123 20 30 DIEDRO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000527798876 1045265679 /nfs/dbraw/zinc/26/56/79/1045265679.db2.gz IRIHKTMTJPFAON-UHFFFAOYSA-N 1 0 313.420 4.220 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)CCc2ccccc2)CC1 ZINC000527858281 1045270204 /nfs/dbraw/zinc/27/02/04/1045270204.db2.gz JGAHTSZODJEIFO-IBGZPJMESA-N 1 0 300.490 4.028 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527894309 1045273948 /nfs/dbraw/zinc/27/39/48/1045273948.db2.gz NAOPAYLGONOLDN-GTPINHCMSA-N 1 0 322.456 4.068 20 30 DIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000578870415 1045278292 /nfs/dbraw/zinc/27/82/92/1045278292.db2.gz NGHDUWKUYPMHRG-UHFFFAOYSA-N 1 0 318.342 4.403 20 30 DIEDRO CCCOCc1ccccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000578940961 1045283324 /nfs/dbraw/zinc/28/33/24/1045283324.db2.gz OKWRUHUNMNUORH-NRFANRHFSA-N 1 0 320.436 4.262 20 30 DIEDRO CC[C@@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1ccc(C#N)cc1 ZINC000528043147 1045299705 /nfs/dbraw/zinc/29/97/05/1045299705.db2.gz LIYPYCBBDSDHDT-QUCCMNQESA-N 1 0 321.424 4.154 20 30 DIEDRO C[C@H](OCCC[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000579413387 1045314147 /nfs/dbraw/zinc/31/41/47/1045314147.db2.gz MTPTXRIBYXKLNT-KKSFZXQISA-N 1 0 320.436 4.303 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000579582645 1045324233 /nfs/dbraw/zinc/32/42/33/1045324233.db2.gz JHKBIVFDRCGWKX-FPOVZHCZSA-N 1 0 317.436 4.394 20 30 DIEDRO CN(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1Cl ZINC000449065159 1045339381 /nfs/dbraw/zinc/33/93/81/1045339381.db2.gz RYKWSGILHXOKIR-GMXGEUMGSA-N 1 0 319.880 4.005 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000449069984 1045343565 /nfs/dbraw/zinc/34/35/65/1045343565.db2.gz ZDECFHVCDKGLOQ-QGZVFWFLSA-N 1 0 314.473 4.016 20 30 DIEDRO CCCOc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1OC ZINC000449073970 1045343947 /nfs/dbraw/zinc/34/39/47/1045343947.db2.gz JZBIUXIQDWBLJE-UHFFFAOYSA-N 1 0 316.445 4.046 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(OC(F)F)cc1 ZINC000449070792 1045344423 /nfs/dbraw/zinc/34/44/23/1045344423.db2.gz LITJOFJWVBVADV-RFSCMCKOSA-N 1 0 308.372 4.411 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCCCOCCc2ccccc2)CC1 ZINC000449090668 1045347638 /nfs/dbraw/zinc/34/76/38/1045347638.db2.gz OCYHTHCTKXIYRQ-UHFFFAOYSA-N 1 0 314.473 4.088 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000449117789 1045348530 /nfs/dbraw/zinc/34/85/30/1045348530.db2.gz QHBBGDKEFIHYHN-UHFFFAOYSA-N 1 0 302.849 4.434 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000449095216 1045348601 /nfs/dbraw/zinc/34/86/01/1045348601.db2.gz XBDOMVKORWKZII-VXKCQOAXSA-N 1 0 304.821 4.226 20 30 DIEDRO Cc1cc(Br)ccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449142025 1045351669 /nfs/dbraw/zinc/35/16/69/1045351669.db2.gz MRXNYMXNPPBUBO-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000449159325 1045351821 /nfs/dbraw/zinc/35/18/21/1045351821.db2.gz ZHYINWLTZYAYGS-KRWDZBQOSA-N 1 0 314.473 4.034 20 30 DIEDRO CC[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1ccccc1C ZINC000449176388 1045355082 /nfs/dbraw/zinc/35/50/82/1045355082.db2.gz SLPXOKOCMUGVLZ-HFCFLWKCSA-N 1 0 300.446 4.215 20 30 DIEDRO COc1ccccc1C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)C ZINC000449178624 1045355647 /nfs/dbraw/zinc/35/56/47/1045355647.db2.gz TXRDAGKIXPRRPD-QPIRBTGLSA-N 1 0 314.473 4.324 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(N2CCCC2)c1 ZINC000449187136 1045360249 /nfs/dbraw/zinc/36/02/49/1045360249.db2.gz KPXHGGOQLGQEIF-PPDQVPDSSA-N 1 0 311.473 4.410 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000449214083 1045362037 /nfs/dbraw/zinc/36/20/37/1045362037.db2.gz LPBUUBKODKABQE-YJBOKZPZSA-N 1 0 300.446 4.209 20 30 DIEDRO COc1ccccc1[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccco1 ZINC000449226465 1045365379 /nfs/dbraw/zinc/36/53/79/1045365379.db2.gz XEZIYODLCLFBIK-KHPNHKCMSA-N 1 0 324.424 4.440 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000449254596 1045366265 /nfs/dbraw/zinc/36/62/65/1045366265.db2.gz ZERULQNHXASCRM-UHFFFAOYSA-N 1 0 305.425 4.311 20 30 DIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000779198196 1045369348 /nfs/dbraw/zinc/36/93/48/1045369348.db2.gz SWLGXTLSTJMYFR-SJORKVTESA-N 1 0 308.425 4.109 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449270286 1045369779 /nfs/dbraw/zinc/36/97/79/1045369779.db2.gz PYXPYVLIJYEQRN-UHFFFAOYSA-N 1 0 305.219 4.005 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000449266639 1045371958 /nfs/dbraw/zinc/37/19/58/1045371958.db2.gz WELBJYUDKIYQDY-SOUVJXGZSA-N 1 0 307.400 4.195 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000449341720 1045378436 /nfs/dbraw/zinc/37/84/36/1045378436.db2.gz WCHSKXZGUWSJED-RYUDHWBXSA-N 1 0 312.255 4.025 20 30 DIEDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446064 1045393396 /nfs/dbraw/zinc/39/33/96/1045393396.db2.gz NTJIIKDMVRKDOL-JJPUIBJASA-N 1 0 320.383 4.363 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000449446428 1045393959 /nfs/dbraw/zinc/39/39/59/1045393959.db2.gz QXFGNFJENVXCJI-KSSFIOAISA-N 1 0 309.388 4.060 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccc(Br)cc2)C1 ZINC000449452185 1045394400 /nfs/dbraw/zinc/39/44/00/1045394400.db2.gz FKXZWSCHSHJNBW-RKYWYAJISA-N 1 0 319.246 4.134 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(C)cs2)ccc1OC ZINC000449473373 1045397749 /nfs/dbraw/zinc/39/77/49/1045397749.db2.gz BRMJBZDLUNWSMS-UHFFFAOYSA-N 1 0 317.454 4.310 20 30 DIEDRO COc1cccc(C[C@@H]2CCCCC[N@@H+]2CCCCC#N)c1 ZINC000528751026 1045410011 /nfs/dbraw/zinc/41/00/11/1045410011.db2.gz TZJPTBAQNNDORW-SFHVURJKSA-N 1 0 300.446 4.176 20 30 DIEDRO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000475658144 1045426068 /nfs/dbraw/zinc/42/60/68/1045426068.db2.gz CXHKHSILVZMTDS-IEBWSBKVSA-N 1 0 314.473 4.027 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cccc(CC#N)c2)C1 ZINC000449692617 1045427297 /nfs/dbraw/zinc/42/72/97/1045427297.db2.gz BPTPKVMJAWERLG-UZLBHIALSA-N 1 0 305.425 4.000 20 30 DIEDRO C[C@@H](Nc1cccc(CC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449695543 1045427567 /nfs/dbraw/zinc/42/75/67/1045427567.db2.gz IQSJMKBZZZVIPW-XLIONFOSSA-N 1 0 319.452 4.075 20 30 DIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cccc(CC#N)c2)CC1 ZINC000449703298 1045429916 /nfs/dbraw/zinc/42/99/16/1045429916.db2.gz UJICPGSDLFVYTO-JXFKEZNVSA-N 1 0 311.473 4.208 20 30 DIEDRO N#CC1(CN2CCc3sccc3[C@@H]2c2cccs2)CCC1 ZINC000450214080 1045475994 /nfs/dbraw/zinc/47/59/94/1045475994.db2.gz XKAMHHDLRCNBLG-MRXNPFEDSA-N 1 0 314.479 4.451 20 30 DIEDRO C=CCN(Cc1ccc(OC)cc1)Cc1ccc(C(C)=O)cc1 ZINC000450274613 1045480239 /nfs/dbraw/zinc/48/02/39/1045480239.db2.gz BOCKELGKKMAAHX-UHFFFAOYSA-N 1 0 309.409 4.086 20 30 DIEDRO N#CC1(CCCC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)CCC1 ZINC001119863613 1045526721 /nfs/dbraw/zinc/52/67/21/1045526721.db2.gz INPPGBXVKMQCHZ-UHFFFAOYSA-N 1 0 310.441 4.104 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000450673728 1045542988 /nfs/dbraw/zinc/54/29/88/1045542988.db2.gz ACQIJURTVIFIAM-BBRMVZONSA-N 1 0 315.379 4.463 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000796619436 1045549126 /nfs/dbraw/zinc/54/91/26/1045549126.db2.gz MZQGNKZLBJHBLU-JXFKEZNVSA-N 1 0 306.409 4.172 20 30 DIEDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450716099 1045553090 /nfs/dbraw/zinc/55/30/90/1045553090.db2.gz JGKAYYJWACDAGT-JKSUJKDBSA-N 1 0 308.425 4.037 20 30 DIEDRO C=CC[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000628405954 1045578409 /nfs/dbraw/zinc/57/84/09/1045578409.db2.gz YLNZGWWAZVSSAJ-KRWDZBQOSA-N 1 0 308.425 4.059 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)cc1 ZINC000800275757 1045601332 /nfs/dbraw/zinc/60/13/32/1045601332.db2.gz CTALIQOJFNRICE-INIZCTEOSA-N 1 0 307.384 4.004 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCC(F)(F)C1 ZINC000450984130 1045605632 /nfs/dbraw/zinc/60/56/32/1045605632.db2.gz UFOJVKOQWNTEQY-HNNXBMFYSA-N 1 0 311.420 4.278 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000800459371 1045623062 /nfs/dbraw/zinc/62/30/62/1045623062.db2.gz MQKINGVESSIELI-QGZVFWFLSA-N 1 0 317.539 4.026 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1 ZINC000800482878 1045627298 /nfs/dbraw/zinc/62/72/98/1045627298.db2.gz OVDREZDEISZAMD-GIVPXCGWSA-N 1 0 304.437 4.462 20 30 DIEDRO CC[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)cc1 ZINC000800495225 1045632304 /nfs/dbraw/zinc/63/23/04/1045632304.db2.gz LSIBFJJSYDCTBH-OALUTQOASA-N 1 0 310.828 4.420 20 30 DIEDRO CC[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000530366440 1045653212 /nfs/dbraw/zinc/65/32/12/1045653212.db2.gz GTCQLOROFQABSD-LPHOPBHVSA-N 1 0 312.457 4.433 20 30 DIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000629202209 1045654395 /nfs/dbraw/zinc/65/43/95/1045654395.db2.gz SVHZVJOGLRFSQO-IRXDYDNUSA-N 1 0 322.452 4.080 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000752090384 1045658114 /nfs/dbraw/zinc/65/81/14/1045658114.db2.gz VLNBHGYVLVGAKL-HXUWFJFHSA-N 1 0 324.399 4.455 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1F ZINC000451300388 1045661205 /nfs/dbraw/zinc/66/12/05/1045661205.db2.gz VDZRFNBRGWGQKX-FZMZJTMJSA-N 1 0 314.326 4.298 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C)cc1O ZINC000800990365 1045678663 /nfs/dbraw/zinc/67/86/63/1045678663.db2.gz OMZMFLQQATZJKT-KRWDZBQOSA-N 1 0 314.816 4.467 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)CCO)c1ccc(C(F)(F)F)cc1 ZINC000779414367 1045687977 /nfs/dbraw/zinc/68/79/77/1045687977.db2.gz CWWRXFNWYVDRLK-WFASDCNBSA-N 1 0 301.352 4.073 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)C1 ZINC000451526656 1045692167 /nfs/dbraw/zinc/69/21/67/1045692167.db2.gz IQXXTHZBESZVGC-WBVHZDCISA-N 1 0 320.839 4.379 20 30 DIEDRO N#CCCCC[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451525224 1045692573 /nfs/dbraw/zinc/69/25/73/1045692573.db2.gz FRPYVNDEECHDCQ-UHFFFAOYSA-N 1 0 308.828 4.380 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3Cl)cc1 ZINC000752786084 1045705212 /nfs/dbraw/zinc/70/52/12/1045705212.db2.gz MEHUAFJGTINXDQ-SFHVURJKSA-N 1 0 312.800 4.019 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)cc1C ZINC000752853628 1045709274 /nfs/dbraw/zinc/70/92/74/1045709274.db2.gz FEDCRNQWKPBAKI-UHFFFAOYSA-N 1 0 306.409 4.064 20 30 DIEDRO C[C@H]1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC001461439736 1045727706 /nfs/dbraw/zinc/72/77/06/1045727706.db2.gz QLMKTPNDJRTDAN-WFASDCNBSA-N 1 0 321.262 4.379 20 30 DIEDRO C#CC[C@@H]([NH2+]C[C@H](OC)c1ccc(Cl)cc1)c1ccccc1 ZINC000801528204 1045731077 /nfs/dbraw/zinc/73/10/77/1045731077.db2.gz GFBFKWJGWZQKLM-MOPGFXCFSA-N 1 0 313.828 4.382 20 30 DIEDRO C=C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753540711 1045758687 /nfs/dbraw/zinc/75/86/87/1045758687.db2.gz FFPHBSSKDMJVOZ-UHFFFAOYSA-N 1 0 309.409 4.123 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)cc1 ZINC000191910904 1045765361 /nfs/dbraw/zinc/76/53/61/1045765361.db2.gz MRSZWXKQGIYHOI-IBGZPJMESA-N 1 0 310.372 4.043 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)cc1 ZINC000191910912 1045765930 /nfs/dbraw/zinc/76/59/30/1045765930.db2.gz MRSZWXKQGIYHOI-LJQANCHMSA-N 1 0 310.372 4.043 20 30 DIEDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191888224 1045766377 /nfs/dbraw/zinc/76/63/77/1045766377.db2.gz YJFCAFIIURQPKT-NSHDSACASA-N 1 0 304.315 4.169 20 30 DIEDRO C[C@]1(C#N)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000753586881 1045769711 /nfs/dbraw/zinc/76/97/11/1045769711.db2.gz LLZAPGPOMJLFHK-HXUWFJFHSA-N 1 0 306.409 4.185 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1C ZINC000753651594 1045785565 /nfs/dbraw/zinc/78/55/65/1045785565.db2.gz BGOJURILDXZEQH-AWEZNQCLSA-N 1 0 312.388 4.174 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000192150884 1045785846 /nfs/dbraw/zinc/78/58/46/1045785846.db2.gz IWQPAVBXIXDFGZ-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000192161866 1045787957 /nfs/dbraw/zinc/78/79/57/1045787957.db2.gz KTCOWPMOVTUUNX-GOSISDBHSA-N 1 0 318.342 4.462 20 30 DIEDRO CS[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)C(C)(C)C ZINC000753741324 1045798434 /nfs/dbraw/zinc/79/84/34/1045798434.db2.gz KBFQRHCQMXDLSU-CJNGLKHVSA-N 1 0 306.475 4.017 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1ccncc1 ZINC000753860059 1045812613 /nfs/dbraw/zinc/81/26/13/1045812613.db2.gz XZNFCHBOVIAUJK-QZTJIDSGSA-N 1 0 300.352 4.254 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631159276 1045829310 /nfs/dbraw/zinc/82/93/10/1045829310.db2.gz RZKOBPGFPBTNQU-INIZCTEOSA-N 1 0 302.368 4.296 20 30 DIEDRO CC[N@H+](CCO[C@@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000801914615 1045837421 /nfs/dbraw/zinc/83/74/21/1045837421.db2.gz ZACUTSULTXSLDY-QWHCGFSZSA-N 1 0 314.351 4.017 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000801929887 1045847470 /nfs/dbraw/zinc/84/74/70/1045847470.db2.gz XPWLIRPWDMRLBK-GHTZIAJQSA-N 1 0 322.452 4.269 20 30 DIEDRO CC[C@H](C)c1ccc([C@@H]([NH2+]CCO[C@@H](C)C#N)C(C)C)cc1 ZINC000801928942 1045848487 /nfs/dbraw/zinc/84/84/87/1045848487.db2.gz CAUUHQHUSIUTOL-BXWFABGCSA-N 1 0 302.462 4.415 20 30 DIEDRO CC(C)c1ccc([C@H]2CCCC[N@@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801935511 1045852134 /nfs/dbraw/zinc/85/21/34/1045852134.db2.gz GJXFLYKGWFQTMW-QFBILLFUSA-N 1 0 300.446 4.266 20 30 DIEDRO CCC[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000801937178 1045852928 /nfs/dbraw/zinc/85/29/28/1045852928.db2.gz GFWQXLRRNVAMIG-XHDPSFHLSA-N 1 0 315.244 4.353 20 30 DIEDRO CC(C)c1ccc([C@H]2CCCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC000801935512 1045852710 /nfs/dbraw/zinc/85/27/10/1045852710.db2.gz GJXFLYKGWFQTMW-VQIMIIECSA-N 1 0 300.446 4.266 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000801940021 1045853319 /nfs/dbraw/zinc/85/33/19/1045853319.db2.gz UHXSLMIUDUXJLJ-KBXCAEBGSA-N 1 0 320.864 4.480 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]CC2CCCCCC2)c1 ZINC000754341911 1045878033 /nfs/dbraw/zinc/87/80/33/1045878033.db2.gz MBGLLRYMEHPXRI-SFHVURJKSA-N 1 0 300.446 4.428 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000631624868 1045890654 /nfs/dbraw/zinc/89/06/54/1045890654.db2.gz KESZBTFKWXUNMO-KNBMTAEXSA-N 1 0 312.457 4.060 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000531715909 1045906053 /nfs/dbraw/zinc/90/60/53/1045906053.db2.gz ZKIYKLLVXAGUSP-MAUKXSAKSA-N 1 0 323.415 4.017 20 30 DIEDRO C=CCCCC(=O)OC[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000802146737 1045907340 /nfs/dbraw/zinc/90/73/40/1045907340.db2.gz AKXFTEUJFIXVFX-VQIMIIECSA-N 1 0 319.420 4.061 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000531720294 1045911369 /nfs/dbraw/zinc/91/13/69/1045911369.db2.gz KDQIQGUHKKWLOR-QRWLVFNGSA-N 1 0 316.464 4.079 20 30 DIEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C#N)cc1Br ZINC001137632905 1045913563 /nfs/dbraw/zinc/91/35/63/1045913563.db2.gz PZQGIXYEEQJCBT-RYUDHWBXSA-N 1 0 307.235 4.084 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(O)c(OC)c1 ZINC000754720221 1045917799 /nfs/dbraw/zinc/91/77/99/1045917799.db2.gz MYGKFYSURYHYCH-SFHVURJKSA-N 1 0 323.436 4.119 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C)cc(C)c1O ZINC000754727022 1045921290 /nfs/dbraw/zinc/92/12/90/1045921290.db2.gz GHHCBFUNYWQRDJ-UHFFFAOYSA-N 1 0 308.425 4.293 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)ccc1N1CCCCC1 ZINC000828765959 1045933204 /nfs/dbraw/zinc/93/32/04/1045933204.db2.gz KGFUEISRKMJYCH-UHFFFAOYSA-N 1 0 311.473 4.111 20 30 DIEDRO C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)Cc1ccc(C#N)cc1 ZINC001137713179 1045943268 /nfs/dbraw/zinc/94/32/68/1045943268.db2.gz ZMKUFJAZFFUWLI-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO N#CCC[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)C1CCCC1 ZINC001137712391 1045944202 /nfs/dbraw/zinc/94/42/02/1045944202.db2.gz AIHPGLPZXDFZSA-UHFFFAOYSA-N 1 0 301.821 4.480 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCC[C@@H]2CC)c1 ZINC000779642189 1045960820 /nfs/dbraw/zinc/96/08/20/1045960820.db2.gz ODWQMPMFVWXYDC-SCTDSRPQSA-N 1 0 300.446 4.426 20 30 DIEDRO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000755196799 1045961657 /nfs/dbraw/zinc/96/16/57/1045961657.db2.gz YSQURZVHPKQUQW-SAPNQHFASA-N 1 0 306.409 4.124 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)CCCC(F)(F)F)cc1 ZINC000755224199 1045966719 /nfs/dbraw/zinc/96/67/19/1045966719.db2.gz YNHHEXHDYFSMEO-CHWSQXEVSA-N 1 0 314.351 4.188 20 30 DIEDRO CCCCCCC[C@@H](CCC)OCCC[NH+]1CCN(C)CC1 ZINC001206597668 1045997265 /nfs/dbraw/zinc/99/72/65/1045997265.db2.gz ZTLJGMRZRQFFCT-LJQANCHMSA-N 1 0 312.542 4.170 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3c(F)cc(F)cc31)CC2 ZINC000453247554 1046003924 /nfs/dbraw/zinc/00/39/24/1046003924.db2.gz NSVIEHSGOHHYSG-PMACEKPBSA-N 1 0 324.374 4.491 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000829779438 1046006711 /nfs/dbraw/zinc/00/67/11/1046006711.db2.gz USGMOYBCERKTMR-ZIAGYGMSSA-N 1 0 317.383 4.228 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000453284669 1046014982 /nfs/dbraw/zinc/01/49/82/1046014982.db2.gz BHLLLRAAIFPSQQ-RBOXIYTFSA-N 1 0 323.362 4.150 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000193494131 1046021145 /nfs/dbraw/zinc/02/11/45/1046021145.db2.gz CKZJSXZRPVKWAD-OAHLLOKOSA-N 1 0 302.418 4.040 20 30 DIEDRO CCNc1ccccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000902600507 1046031976 /nfs/dbraw/zinc/03/19/76/1046031976.db2.gz FFYWQGQHNXFFQP-HXUWFJFHSA-N 1 0 305.425 4.157 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C(C)C)C1)c1ccc(C#N)cc1 ZINC000453315927 1046033187 /nfs/dbraw/zinc/03/31/87/1046033187.db2.gz HPUZNPWKCDDXEP-YTQUADARSA-N 1 0 300.446 4.050 20 30 DIEDRO Cc1ccc2cc([C@H](C)[NH2+]Cc3ccc(OCC#N)cc3)oc2c1 ZINC000756041333 1046042265 /nfs/dbraw/zinc/04/22/65/1046042265.db2.gz LEVLVTHIOYXOMU-HNNXBMFYSA-N 1 0 320.392 4.494 20 30 DIEDRO C=CCCC[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000756056547 1046045847 /nfs/dbraw/zinc/04/58/47/1046045847.db2.gz MAUNJDRQQABLTB-KRWDZBQOSA-N 1 0 301.455 4.250 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)c1cc(C#N)ccn1 ZINC000902720824 1046049164 /nfs/dbraw/zinc/04/91/64/1046049164.db2.gz OJKCRACUNMBKGS-NWDGAFQWSA-N 1 0 319.330 4.384 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(C#N)cc1 ZINC000453346151 1046050304 /nfs/dbraw/zinc/05/03/04/1046050304.db2.gz ADRPQBNTWPDRSE-IAOVAPTHSA-N 1 0 312.438 4.191 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1cccc(C#N)c1 ZINC000902731666 1046053664 /nfs/dbraw/zinc/05/36/64/1046053664.db2.gz NTWPXGQBGIVVCV-JLTOFOAXSA-N 1 0 321.424 4.319 20 30 DIEDRO CC(N=Nc1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779754681 1046057030 /nfs/dbraw/zinc/05/70/30/1046057030.db2.gz VBWLMCAQLJXMIO-KRWDZBQOSA-N 1 0 311.404 4.136 20 30 DIEDRO CCOCc1ccc(C[NH2+][C@H](CC)c2cccc(C#N)c2)cc1 ZINC000902741426 1046056948 /nfs/dbraw/zinc/05/69/48/1046056948.db2.gz RAURGDIHHCDOGF-HXUWFJFHSA-N 1 0 308.425 4.336 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000453358740 1046057857 /nfs/dbraw/zinc/05/78/57/1046057857.db2.gz OQOJZZNJYCRGAL-RISCZKNCSA-N 1 0 322.499 4.158 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453381470 1046058824 /nfs/dbraw/zinc/05/88/24/1046058824.db2.gz LEXPEEKOLFRQJY-HXPMCKFVSA-N 1 0 312.363 4.250 20 30 DIEDRO CC(N=Nc1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779769244 1046059849 /nfs/dbraw/zinc/05/98/49/1046059849.db2.gz SSMDJIWWNFQGMK-QGZVFWFLSA-N 1 0 311.404 4.136 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)c(Cl)c1 ZINC000193696964 1046061259 /nfs/dbraw/zinc/06/12/59/1046061259.db2.gz JOLGGRRGXNSADV-LBPRGKRZSA-N 1 0 318.779 4.232 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000902766569 1046063835 /nfs/dbraw/zinc/06/38/35/1046063835.db2.gz NFMMYCXBKKNXBC-CWFSZBLJSA-N 1 0 312.457 4.194 20 30 DIEDRO CC(N=Nc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779773172 1046064063 /nfs/dbraw/zinc/06/40/63/1046064063.db2.gz ZWWOIALCVZOONY-KRWDZBQOSA-N 1 0 311.404 4.136 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000453362819 1046064904 /nfs/dbraw/zinc/06/49/04/1046064904.db2.gz PPVAFRBNMCEKBO-ZBINZKHDSA-N 1 0 320.483 4.174 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)c1cc(C#N)ccn1 ZINC000902765304 1046065741 /nfs/dbraw/zinc/06/57/41/1046065741.db2.gz OVPRHBDJEQUQGX-RYUDHWBXSA-N 1 0 319.330 4.384 20 30 DIEDRO C#CCCC[NH2+]C(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000830395577 1046066234 /nfs/dbraw/zinc/06/62/34/1046066234.db2.gz ROCYJCUMAPBZBB-UHFFFAOYSA-N 1 0 316.445 4.496 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000453370547 1046069139 /nfs/dbraw/zinc/06/91/39/1046069139.db2.gz UGGKYWUWBKQEPZ-CVEARBPZSA-N 1 0 314.473 4.141 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(Cc3ccc(F)cc3)CC1)CC2 ZINC000453373225 1046071153 /nfs/dbraw/zinc/07/11/53/1046071153.db2.gz WYZCFEWNAGFANM-LJQANCHMSA-N 1 0 306.384 4.050 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000453373990 1046071721 /nfs/dbraw/zinc/07/17/21/1046071721.db2.gz WKUIZVAHWLXKEZ-WQVCFCJDSA-N 1 0 314.454 4.113 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)c1cc(C#N)ccn1 ZINC000902791336 1046072651 /nfs/dbraw/zinc/07/26/51/1046072651.db2.gz UMUCDOIXIXDCLK-DJJJIMSYSA-N 1 0 309.388 4.284 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)c1ccncc1 ZINC000902805596 1046073219 /nfs/dbraw/zinc/07/32/19/1046073219.db2.gz CNTAGJABRXCCGD-UFYCRDLUSA-N 1 0 314.473 4.274 20 30 DIEDRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000193904521 1046080707 /nfs/dbraw/zinc/08/07/07/1046080707.db2.gz PMMZYHCONBBVBV-DLBZAZTESA-N 1 0 308.425 4.179 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc(Cl)ccc1O ZINC000756454595 1046083720 /nfs/dbraw/zinc/08/37/20/1046083720.db2.gz CWVZIFADAPQAJH-NWDGAFQWSA-N 1 0 300.789 4.329 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccc(C#N)cc1 ZINC000756454597 1046084055 /nfs/dbraw/zinc/08/40/55/1046084055.db2.gz CWVZIFADAPQAJH-RYUDHWBXSA-N 1 0 300.789 4.329 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1cccs1)c1cccc(C#N)c1 ZINC000902848634 1046085735 /nfs/dbraw/zinc/08/57/35/1046085735.db2.gz UVCRRSPDYJJDRC-JQFCIGGWSA-N 1 0 314.454 4.173 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000902860301 1046090011 /nfs/dbraw/zinc/09/00/11/1046090011.db2.gz REUCMXPZKDNEEH-ROUUACIJSA-N 1 0 310.372 4.262 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756525998 1046094359 /nfs/dbraw/zinc/09/43/59/1046094359.db2.gz DRGPPYFCRZKKOF-CQSZACIVSA-N 1 0 324.415 4.201 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)C)c1cccc(C#N)c1 ZINC000902876152 1046097397 /nfs/dbraw/zinc/09/73/97/1046097397.db2.gz SPYUAGXVAIIUMZ-FHWLQOOXSA-N 1 0 300.446 4.050 20 30 DIEDRO COc1cccc(C=C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000532124039 1046103506 /nfs/dbraw/zinc/10/35/06/1046103506.db2.gz DXWQOSXLKGBPBH-UHFFFAOYSA-N 1 0 318.420 4.246 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCC[C@@H](C4CCOCC4)C3)CC2)c1 ZINC000902919237 1046114163 /nfs/dbraw/zinc/11/41/63/1046114163.db2.gz DKRZWUFIWXKGIY-QUCCMNQESA-N 1 0 324.468 4.122 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc(C#N)c1 ZINC000902919546 1046114281 /nfs/dbraw/zinc/11/42/81/1046114281.db2.gz MWFVQXIJDLQIID-QGZVFWFLSA-N 1 0 320.392 4.017 20 30 DIEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902954129 1046125520 /nfs/dbraw/zinc/12/55/20/1046125520.db2.gz QTORAENEGIRVSP-SIFCLUCFSA-N 1 0 305.425 4.318 20 30 DIEDRO COc1ccc(C[NH2+][C@H](c2ccc(C)o2)C2CCC2)cc1C#N ZINC000756760984 1046128425 /nfs/dbraw/zinc/12/84/25/1046128425.db2.gz POJLVBFVCLOYFG-IBGZPJMESA-N 1 0 310.397 4.099 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)CC2 ZINC000902962308 1046129281 /nfs/dbraw/zinc/12/92/81/1046129281.db2.gz FNQKGQHCVOLRBE-KUHUBIRLSA-N 1 0 305.425 4.415 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902970539 1046131947 /nfs/dbraw/zinc/13/19/47/1046131947.db2.gz NECXPRQJGUBTBO-KFKAGJAMSA-N 1 0 305.425 4.330 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cccc(C#N)c1 ZINC000902973032 1046134124 /nfs/dbraw/zinc/13/41/24/1046134124.db2.gz NHPODKDZWYRMFQ-IBGZPJMESA-N 1 0 305.425 4.073 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cc(C#N)ccn1 ZINC000902978411 1046135460 /nfs/dbraw/zinc/13/54/60/1046135460.db2.gz FKLIRAIUDMAQAL-SRCQZFHVSA-N 1 0 311.816 4.203 20 30 DIEDRO COCCCC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000902976198 1046135722 /nfs/dbraw/zinc/13/57/22/1046135722.db2.gz OIHSUPRIMKMSGG-APWZRJJASA-N 1 0 323.440 4.162 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc(C#N)ccn1 ZINC000903000549 1046138883 /nfs/dbraw/zinc/13/88/83/1046138883.db2.gz LFSKPZGTHWPEGZ-CRAIPNDOSA-N 1 0 304.397 4.039 20 30 DIEDRO CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000903000469 1046138931 /nfs/dbraw/zinc/13/89/31/1046138931.db2.gz KPWCAINFUPDKPK-QRVBRYPASA-N 1 0 300.446 4.359 20 30 DIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc(C#N)ccn1 ZINC000903000568 1046139622 /nfs/dbraw/zinc/13/96/22/1046139622.db2.gz LFSKPZGTHWPEGZ-MAUKXSAKSA-N 1 0 304.397 4.039 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(C(F)(F)F)s1 ZINC000903005971 1046139682 /nfs/dbraw/zinc/13/96/82/1046139682.db2.gz BUXCTDXIBUYPPM-VWYCJHECSA-N 1 0 302.365 4.500 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)c(Br)c1)C(C)(C)C ZINC001138297807 1046140122 /nfs/dbraw/zinc/14/01/22/1046140122.db2.gz RBOLKVFJBYTJDY-UHFFFAOYSA-N 1 0 312.251 4.244 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C(C)C)C1)c1cccc(C#N)c1 ZINC000903008519 1046141001 /nfs/dbraw/zinc/14/10/01/1046141001.db2.gz PYKXZDIMJRMXAT-YTQUADARSA-N 1 0 300.446 4.050 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000756837054 1046142439 /nfs/dbraw/zinc/14/24/39/1046142439.db2.gz FKDBJUHWJRKAER-SMDDNHRTSA-N 1 0 321.770 4.034 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cccc2nccnc12 ZINC001138304173 1046142709 /nfs/dbraw/zinc/14/27/09/1046142709.db2.gz CTSATQAAPITZOX-UHFFFAOYSA-N 1 0 303.409 4.208 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cn1 ZINC000903035759 1046145283 /nfs/dbraw/zinc/14/52/83/1046145283.db2.gz UWTGPWVSLZAJDL-GFCCVEGCSA-N 1 0 319.330 4.017 20 30 DIEDRO CC[C@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1cccc(C#N)c1 ZINC000903072395 1046155019 /nfs/dbraw/zinc/15/50/19/1046155019.db2.gz KWWJFBBRAMNWDW-AZUAARDMSA-N 1 0 321.424 4.154 20 30 DIEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1OC ZINC001138345397 1046155526 /nfs/dbraw/zinc/15/55/26/1046155526.db2.gz FGTYVWLGSDNAOF-IBGZPJMESA-N 1 0 321.420 4.044 20 30 DIEDRO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1cc(C#N)ccc1F ZINC000756987530 1046157321 /nfs/dbraw/zinc/15/73/21/1046157321.db2.gz KAWBOQDEAJJTBK-UHFFFAOYSA-N 1 0 302.780 4.257 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(Br)cs1)c1ccccc1 ZINC000756998709 1046158258 /nfs/dbraw/zinc/15/82/58/1046158258.db2.gz ZXHAZYZDJXTGMQ-HNNXBMFYSA-N 1 0 320.255 4.365 20 30 DIEDRO CC[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cccc(C#N)c1 ZINC000903094772 1046163065 /nfs/dbraw/zinc/16/30/65/1046163065.db2.gz PUIKNXLISHEPMD-OALUTQOASA-N 1 0 312.457 4.338 20 30 DIEDRO CC(=O)OCc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000903103566 1046163725 /nfs/dbraw/zinc/16/37/25/1046163725.db2.gz KABMKPBTLRSQGR-CABCVRRESA-N 1 0 322.408 4.033 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000903119503 1046167978 /nfs/dbraw/zinc/16/79/78/1046167978.db2.gz KXMDGMPQLABNPK-PXNSSMCTSA-N 1 0 321.424 4.003 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1cccc(Cl)c1 ZINC000903125333 1046169642 /nfs/dbraw/zinc/16/96/42/1046169642.db2.gz MSOJPIDOTGTAPE-RISOHXOYSA-N 1 0 313.894 4.094 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cccc(COC(C)=O)c1)c1ccccc1 ZINC000903131157 1046169859 /nfs/dbraw/zinc/16/98/59/1046169859.db2.gz QXYIUQHFZOONKV-IERDGZPVSA-N 1 0 321.420 4.165 20 30 DIEDRO C=CCC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(Cl)c1 ZINC000903126665 1046170286 /nfs/dbraw/zinc/17/02/86/1046170286.db2.gz UEBXGQCYGDPIKG-RISOHXOYSA-N 1 0 313.894 4.094 20 30 DIEDRO Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001138414804 1046173156 /nfs/dbraw/zinc/17/31/56/1046173156.db2.gz OJBGPAGCNWPALX-UHFFFAOYSA-N 1 0 307.372 4.119 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(Cl)c1 ZINC000903151030 1046175823 /nfs/dbraw/zinc/17/58/23/1046175823.db2.gz AFIDNABSHXPVIG-SJORKVTESA-N 1 0 315.848 4.148 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1snnc1C)c1cccc(Cl)c1 ZINC000903175202 1046182716 /nfs/dbraw/zinc/18/27/16/1046182716.db2.gz RINWMAXQINKDNJ-CQSZACIVSA-N 1 0 307.850 4.297 20 30 DIEDRO CC[C@H]([NH2+]Cc1nccc2c1CCCC2)c1ccc(C#N)cc1 ZINC000903182147 1046184937 /nfs/dbraw/zinc/18/49/37/1046184937.db2.gz OKCUXVVWEQQPOA-IBGZPJMESA-N 1 0 305.425 4.073 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](c2ccccc2F)C2CCOCC2)c1 ZINC000903183461 1046187090 /nfs/dbraw/zinc/18/70/90/1046187090.db2.gz OTSRICLHOHJDQB-NRFANRHFSA-N 1 0 323.411 4.065 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000757703170 1046202230 /nfs/dbraw/zinc/20/22/30/1046202230.db2.gz GCZUZNWEWLHQLA-SFHVURJKSA-N 1 0 304.393 4.094 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCC(C#N)CC3)cc2)cc1 ZINC001138515083 1046206095 /nfs/dbraw/zinc/20/60/95/1046206095.db2.gz JWUXSLJYXFHOKY-UHFFFAOYSA-N 1 0 306.409 4.098 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C(C)C ZINC000757732313 1046207394 /nfs/dbraw/zinc/20/73/94/1046207394.db2.gz GWDJWKSLQVWHMO-UHFFFAOYSA-N 1 0 305.315 4.163 20 30 DIEDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CC#N)C3)cc2)cc1 ZINC001138516683 1046209893 /nfs/dbraw/zinc/20/98/93/1046209893.db2.gz PHLWYMAJXNQKSR-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]Cc1nc(C#N)cs1)C1CCCC1 ZINC000903262883 1046211278 /nfs/dbraw/zinc/21/12/78/1046211278.db2.gz IKZOWLNGICJVKJ-GOSISDBHSA-N 1 0 311.454 4.344 20 30 DIEDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198178 1046220936 /nfs/dbraw/zinc/22/09/36/1046220936.db2.gz SNWFUEGRJUMSTA-OXQOHEQNSA-N 1 0 320.436 4.225 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC001138559045 1046224784 /nfs/dbraw/zinc/22/47/84/1046224784.db2.gz NAMQOOBIEHAWIX-NRFANRHFSA-N 1 0 321.420 4.044 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000756997630 1046230287 /nfs/dbraw/zinc/23/02/87/1046230287.db2.gz ZREZIMDUUSMMRZ-INIZCTEOSA-N 1 0 319.326 4.281 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000245501448 1046238240 /nfs/dbraw/zinc/23/82/40/1046238240.db2.gz CUCRLNYSVLDOHP-PXNSSMCTSA-N 1 0 320.436 4.185 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000245503528 1046238436 /nfs/dbraw/zinc/23/84/36/1046238436.db2.gz IHAMHONTJXTJRP-HUUCEWRRSA-N 1 0 312.388 4.310 20 30 DIEDRO C=C(C)C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000783752431 1046241708 /nfs/dbraw/zinc/24/17/08/1046241708.db2.gz CLVDWAMUBSJXHY-UHFFFAOYSA-N 1 0 324.255 4.212 20 30 DIEDRO C=CCc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)c1O ZINC001138627728 1046247082 /nfs/dbraw/zinc/24/70/82/1046247082.db2.gz FBTVOTWFGFWWLF-HNNXBMFYSA-N 1 0 311.425 4.322 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903336541 1046247926 /nfs/dbraw/zinc/24/79/26/1046247926.db2.gz ZXTLDHZBZQOQSH-TZIWHRDSSA-N 1 0 317.436 4.462 20 30 DIEDRO C=CCc1cccc(C[N@H+](C)Cc2cccc(F)c2F)c1O ZINC001138630651 1046249557 /nfs/dbraw/zinc/24/95/57/1046249557.db2.gz ZJVXDZYSVFSFSF-UHFFFAOYSA-N 1 0 303.352 4.031 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001138664192 1046260017 /nfs/dbraw/zinc/26/00/17/1046260017.db2.gz MBLYIGMOMXCHSI-HNNXBMFYSA-N 1 0 313.363 4.416 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001138663628 1046260109 /nfs/dbraw/zinc/26/01/09/1046260109.db2.gz ARUDUCSNLCFXMZ-LJQANCHMSA-N 1 0 308.425 4.374 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001138665821 1046260358 /nfs/dbraw/zinc/26/03/58/1046260358.db2.gz XGHMIXFRMCQYKA-HXUWFJFHSA-N 1 0 322.452 4.244 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001138662872 1046260603 /nfs/dbraw/zinc/26/06/03/1046260603.db2.gz FUBHLXPDDNAMPF-IBGZPJMESA-N 1 0 308.425 4.374 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)c1cccc(C#N)c1 ZINC000903406700 1046266580 /nfs/dbraw/zinc/26/65/80/1046266580.db2.gz YGHHFJSPUZMLDV-FOIQADDNSA-N 1 0 322.456 4.357 20 30 DIEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC000795330531 1046266971 /nfs/dbraw/zinc/26/69/71/1046266971.db2.gz AKEXRSNDTCNWNL-NVXWUHKLSA-N 1 0 310.441 4.257 20 30 DIEDRO N#Cc1ccc2c(c1)CCN(Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001138686639 1046270227 /nfs/dbraw/zinc/27/02/27/1046270227.db2.gz RMAAHKBOMMJZGZ-UHFFFAOYSA-N 1 0 321.811 4.251 20 30 DIEDRO C#CCCCC[NH2+]Cc1ccc(Br)cc1SC ZINC000758493333 1046274204 /nfs/dbraw/zinc/27/42/04/1046274204.db2.gz BDTCRSCRWBPERU-UHFFFAOYSA-N 1 0 312.276 4.064 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903429448 1046278699 /nfs/dbraw/zinc/27/86/99/1046278699.db2.gz UGNRDIIFFOZSFM-PMACEKPBSA-N 1 0 303.409 4.072 20 30 DIEDRO COc1cc(C)c(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(C)c1C ZINC001138725900 1046279824 /nfs/dbraw/zinc/27/98/24/1046279824.db2.gz SZAMCQQEZYDWRP-UHFFFAOYSA-N 1 0 320.436 4.050 20 30 DIEDRO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903481510 1046283587 /nfs/dbraw/zinc/28/35/87/1046283587.db2.gz DXFALVGEIRZVGL-KRWDZBQOSA-N 1 0 311.816 4.247 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000089553846 1046289445 /nfs/dbraw/zinc/28/94/45/1046289445.db2.gz JFEXFYJWPQOZSY-CVEARBPZSA-N 1 0 313.363 4.073 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000089553848 1046289690 /nfs/dbraw/zinc/28/96/90/1046289690.db2.gz JFEXFYJWPQOZSY-HZPDHXFCSA-N 1 0 313.363 4.073 20 30 DIEDRO C[NH+](C)CC1(C/N=C\c2c(O)ccc3ccccc32)CCCC1 ZINC000758815411 1046291253 /nfs/dbraw/zinc/29/12/53/1046291253.db2.gz LMNQMVJSKXNGNU-BKUYFWCQSA-N 1 0 310.441 4.086 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000089632418 1046294355 /nfs/dbraw/zinc/29/43/55/1046294355.db2.gz JQFXHBLOPLRYKU-ZOBUZTSGSA-N 1 0 316.445 4.066 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(C#N)c(C#N)c2)cc1 ZINC001204700293 1046311784 /nfs/dbraw/zinc/31/17/84/1046311784.db2.gz ONSBLIUTTOOEJF-UHFFFAOYSA-N 1 0 304.397 4.062 20 30 DIEDRO CC(C)c1ccc(CC=[NH+]n2cnnc2-c2ccccc2)cc1 ZINC000760249819 1046322937 /nfs/dbraw/zinc/32/29/37/1046322937.db2.gz NKIVQBPATJNAJQ-UHFFFAOYSA-N 1 0 304.397 4.145 20 30 DIEDRO Cn1c2ccccc2c2cc(C[NH+]3CCC(CC#N)CC3)ccc21 ZINC001138918536 1046327134 /nfs/dbraw/zinc/32/71/34/1046327134.db2.gz HPBPYRGCMNJWNR-UHFFFAOYSA-N 1 0 317.436 4.457 20 30 DIEDRO CC(C)COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC001138970649 1046345720 /nfs/dbraw/zinc/34/57/20/1046345720.db2.gz UVFVAHCSYGYUSM-UHFFFAOYSA-N 1 0 308.425 4.225 20 30 DIEDRO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000759343339 1046346366 /nfs/dbraw/zinc/34/63/66/1046346366.db2.gz UFNCAPMTWZRAPX-UHFFFAOYSA-N 1 0 324.399 4.348 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000748270199 1046362653 /nfs/dbraw/zinc/36/26/53/1046362653.db2.gz UTRYADUVXSSIMZ-DJJJIMSYSA-N 1 0 310.372 4.066 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001139027064 1046362956 /nfs/dbraw/zinc/36/29/56/1046362956.db2.gz JATBNTMUDXEAER-UHFFFAOYSA-N 1 0 323.436 4.295 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000121845113 1046364033 /nfs/dbraw/zinc/36/40/33/1046364033.db2.gz OEBPOJSMNQKWEF-VBKZILBWSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001139030416 1046365889 /nfs/dbraw/zinc/36/58/89/1046365889.db2.gz MOUWWXLVMYWQAH-QGZVFWFLSA-N 1 0 303.421 4.356 20 30 DIEDRO COc1ccccc1-c1ccc(C[NH+]2CCC(S)CC2)cc1 ZINC001139036000 1046367333 /nfs/dbraw/zinc/36/73/33/1046367333.db2.gz JYEDQZNCPRBBGR-UHFFFAOYSA-N 1 0 313.466 4.256 20 30 DIEDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000759645370 1046367960 /nfs/dbraw/zinc/36/79/60/1046367960.db2.gz ZUXWQLHBIRLQJM-UHFFFAOYSA-N 1 0 307.441 4.036 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000780540134 1046373882 /nfs/dbraw/zinc/37/38/82/1046373882.db2.gz ZIQWOZXWYVYWKW-QFBILLFUSA-N 1 0 324.399 4.132 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001442105544 1046376795 /nfs/dbraw/zinc/37/67/95/1046376795.db2.gz MLPHXWHXGSZCHW-GOSISDBHSA-N 1 0 310.526 4.316 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000610829691 1046378840 /nfs/dbraw/zinc/37/88/40/1046378840.db2.gz DYPFOTFFLNEIDD-KGLIPLIRSA-N 1 0 309.369 4.187 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000610830368 1046379151 /nfs/dbraw/zinc/37/91/51/1046379151.db2.gz OLSBFGSZJJVIPM-VLIAUNLRSA-N 1 0 306.409 4.295 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000610829692 1046379733 /nfs/dbraw/zinc/37/97/33/1046379733.db2.gz DYPFOTFFLNEIDD-UONOGXRCSA-N 1 0 309.369 4.187 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)nc1 ZINC000780558407 1046393813 /nfs/dbraw/zinc/39/38/13/1046393813.db2.gz ORJPYTVOXLAZBZ-RBUKOAKNSA-N 1 0 305.425 4.159 20 30 DIEDRO N#CCCN(Cc1ccccc1)Cc1ccc2cccnc2c1 ZINC001139164783 1046400033 /nfs/dbraw/zinc/40/00/33/1046400033.db2.gz QRZODNOYDSKZCS-UHFFFAOYSA-N 1 0 301.393 4.151 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000780744058 1046401679 /nfs/dbraw/zinc/40/16/79/1046401679.db2.gz JPNSTASYHPZBMX-HNNXBMFYSA-N 1 0 313.413 4.171 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000780745245 1046401971 /nfs/dbraw/zinc/40/19/71/1046401971.db2.gz HTKYZFLCZFZTJH-BONVTDFDSA-N 1 0 315.417 4.191 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000780746701 1046403380 /nfs/dbraw/zinc/40/33/80/1046403380.db2.gz QHPPQDMWUJTWJH-YQQAZPJKSA-N 1 0 323.864 4.284 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cc2cc(Br)ccc2[nH]1 ZINC001139185604 1046404798 /nfs/dbraw/zinc/40/47/98/1046404798.db2.gz YOEIZPYWQPWNAK-UHFFFAOYSA-N 1 0 305.219 4.104 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1nnc(-c2cccc3ccccc32)o1 ZINC000639501860 1046407510 /nfs/dbraw/zinc/40/75/10/1046407510.db2.gz ZNGOHZWOXGSAMM-UHFFFAOYSA-N 1 0 307.397 4.288 20 30 DIEDRO CC(CCCC[NH+](C)C)N=Nc1ccccc1C(F)(F)F ZINC000781114061 1046423777 /nfs/dbraw/zinc/42/37/77/1046423777.db2.gz KMLKFCZLPXLUKE-UHFFFAOYSA-N 1 0 301.356 4.225 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)cc1 ZINC000749110727 1046429176 /nfs/dbraw/zinc/42/91/76/1046429176.db2.gz OWQKGHAZMLXAEY-RKVPGOIHSA-N 1 0 300.446 4.282 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139369767 1046434654 /nfs/dbraw/zinc/43/46/54/1046434654.db2.gz NAEUNEPGRVZFEY-UHFFFAOYSA-N 1 0 323.893 4.434 20 30 DIEDRO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC001168233148 1046434933 /nfs/dbraw/zinc/43/49/33/1046434933.db2.gz CNPLJAVOFVWBFI-LSDHHAIUSA-N 1 0 324.399 4.084 20 30 DIEDRO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639889782 1046435141 /nfs/dbraw/zinc/43/51/41/1046435141.db2.gz JBGPEGMYXXLCKZ-HNNXBMFYSA-N 1 0 319.408 4.288 20 30 DIEDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139402989 1046443894 /nfs/dbraw/zinc/44/38/94/1046443894.db2.gz DIFZSVWWQWZHGY-INIZCTEOSA-N 1 0 305.425 4.385 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)c1 ZINC001139402830 1046443954 /nfs/dbraw/zinc/44/39/54/1046443954.db2.gz YSRZMQUVYHFOQJ-AZUAARDMSA-N 1 0 317.436 4.242 20 30 DIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405086 1046443983 /nfs/dbraw/zinc/44/39/83/1046443983.db2.gz IPOLMKTXUICVTH-IYBDPMFKSA-N 1 0 305.425 4.098 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCCC4(CCC4)C3)cc2)c1 ZINC001139405805 1046444038 /nfs/dbraw/zinc/44/40/38/1046444038.db2.gz CHGGFXWVNSUNHK-UHFFFAOYSA-N 1 0 317.436 4.386 20 30 DIEDRO C[C@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)[C@H]1C ZINC001139407268 1046444965 /nfs/dbraw/zinc/44/49/65/1046444965.db2.gz VSAKTIHABIOFKV-HOTGVXAUSA-N 1 0 305.425 4.241 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)[C@@H]1C ZINC001139407269 1046445274 /nfs/dbraw/zinc/44/52/74/1046445274.db2.gz VSAKTIHABIOFKV-HZPDHXFCSA-N 1 0 305.425 4.241 20 30 DIEDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425066 1046448711 /nfs/dbraw/zinc/44/87/11/1046448711.db2.gz DCBMMRQHVQGJDZ-KRWDZBQOSA-N 1 0 307.397 4.120 20 30 DIEDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425912 1046449245 /nfs/dbraw/zinc/44/92/45/1046449245.db2.gz XYJIRWUVJHJFJT-JKSUJKDBSA-N 1 0 321.424 4.366 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139427161 1046451162 /nfs/dbraw/zinc/45/11/62/1046451162.db2.gz WTTAUDCZZSWRKJ-MRXNPFEDSA-N 1 0 321.424 4.368 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677042344 1046456373 /nfs/dbraw/zinc/45/63/73/1046456373.db2.gz JCMAPGOKHVYFOG-SFHVURJKSA-N 1 0 315.363 4.307 20 30 DIEDRO CCc1cc(C[NH+]2CCC(CC#N)CC2)c(O)c(C(C)(C)C)c1 ZINC000781572488 1046456870 /nfs/dbraw/zinc/45/68/70/1046456870.db2.gz QSDZQNWIUFUXQP-UHFFFAOYSA-N 1 0 314.473 4.378 20 30 DIEDRO CNc1ccc(C#N)cc1Nc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001204704835 1046472224 /nfs/dbraw/zinc/47/22/24/1046472224.db2.gz DIYRRGQVXNUICW-UHFFFAOYSA-N 1 0 308.429 4.232 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000677244768 1046477515 /nfs/dbraw/zinc/47/75/15/1046477515.db2.gz GQWGWVPLZGRTET-UHFFFAOYSA-N 1 0 307.315 4.230 20 30 DIEDRO CC(C)C[N@H+](CCCSCC#N)[C@@H]1CCCc2cccnc21 ZINC000126938596 1046477976 /nfs/dbraw/zinc/47/79/76/1046477976.db2.gz GTOKPTMYNZDYHS-QGZVFWFLSA-N 1 0 317.502 4.064 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000826862100 1046478932 /nfs/dbraw/zinc/47/89/32/1046478932.db2.gz UPNDMGHNILOJOK-INIZCTEOSA-N 1 0 306.409 4.185 20 30 DIEDRO CC(C)C[N@H+](CCCSCC#N)[C@H]1CCCc2cccnc21 ZINC000126938893 1046479361 /nfs/dbraw/zinc/47/93/61/1046479361.db2.gz GTOKPTMYNZDYHS-KRWDZBQOSA-N 1 0 317.502 4.064 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000826877564 1046486710 /nfs/dbraw/zinc/48/67/10/1046486710.db2.gz IYELUPJLSHJQDX-UHFFFAOYSA-N 1 0 323.440 4.009 20 30 DIEDRO CC(C)(CC1CCCCCC1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000782015534 1046490776 /nfs/dbraw/zinc/49/07/76/1046490776.db2.gz VWSLEJRFTARRFR-LJQANCHMSA-N 1 0 314.473 4.320 20 30 DIEDRO N#CCC[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC000128149659 1046491014 /nfs/dbraw/zinc/49/10/14/1046491014.db2.gz LLNCUPSSQMFTBO-KBWCOIMZSA-N 1 0 315.420 4.245 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000247621361 1046492089 /nfs/dbraw/zinc/49/20/89/1046492089.db2.gz NFUFCVPOVGAFTR-RBUKOAKNSA-N 1 0 324.424 4.020 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)c1 ZINC001139651162 1046495034 /nfs/dbraw/zinc/49/50/34/1046495034.db2.gz HJZYSJGRXDTCSP-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)c1 ZINC001139651161 1046495415 /nfs/dbraw/zinc/49/54/15/1046495415.db2.gz HJZYSJGRXDTCSP-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001139692176 1046499164 /nfs/dbraw/zinc/49/91/64/1046499164.db2.gz PYDYDNISVNFFKN-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc2c(C[N@H+]3CC[C@H](c4cccc(F)c4)C3)c[nH]c21 ZINC001139706154 1046501609 /nfs/dbraw/zinc/50/16/09/1046501609.db2.gz MKWZOFPOQBRKQZ-INIZCTEOSA-N 1 0 319.383 4.168 20 30 DIEDRO C[N@H+](Cc1c[nH]c2c1cccc2C#N)C12CC3CC(CC(C3)C1)C2 ZINC001139703841 1046502241 /nfs/dbraw/zinc/50/22/41/1046502241.db2.gz VFUFZBDZIXKABX-UHFFFAOYSA-N 1 0 319.452 4.440 20 30 DIEDRO N#Cc1cccc2c(C[N@H+]3CC=C(c4ccccc4)CC3)c[nH]c21 ZINC001139706160 1046502594 /nfs/dbraw/zinc/50/25/94/1046502594.db2.gz MONAABUVFDTDCJ-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CCSc4ccccc4C3)c[nH]c21 ZINC001139707089 1046503799 /nfs/dbraw/zinc/50/37/99/1046503799.db2.gz PGDOTGOIEGWEKT-UHFFFAOYSA-N 1 0 319.433 4.147 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3C[C@@H]4C[C@H](C3)c3ccccc34)c[nH]c21 ZINC001139706957 1046504570 /nfs/dbraw/zinc/50/45/70/1046504570.db2.gz LNDRXEYQDQXUEP-IYBDPMFKSA-N 1 0 313.404 4.126 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)cc1C#N ZINC001139726000 1046506041 /nfs/dbraw/zinc/50/60/41/1046506041.db2.gz MHBAICHLODOCFM-NRFANRHFSA-N 1 0 320.436 4.048 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)cc1 ZINC001139724650 1046506096 /nfs/dbraw/zinc/50/60/96/1046506096.db2.gz YQVBUNXLTPFKRO-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139723233 1046506623 /nfs/dbraw/zinc/50/66/23/1046506623.db2.gz XHQDLOUKTDPVJV-KRWDZBQOSA-N 1 0 322.452 4.328 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)c1 ZINC001139725822 1046507596 /nfs/dbraw/zinc/50/75/96/1046507596.db2.gz DOGSRPZYRAFPPK-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000536594457 1046508213 /nfs/dbraw/zinc/50/82/13/1046508213.db2.gz JUEVQABAMRFOPI-IBGZPJMESA-N 1 0 306.409 4.076 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2c(Cl)ccc3cccnc32)cc1 ZINC001202964846 1046511096 /nfs/dbraw/zinc/51/10/96/1046511096.db2.gz UGUQLFRVRMLECX-UHFFFAOYSA-N 1 0 321.811 4.244 20 30 DIEDRO C=CCn1cc(C[N@H+]2CCCC[C@H]2c2ccc(C)c(C)c2)cn1 ZINC001139770911 1046514141 /nfs/dbraw/zinc/51/41/41/1046514141.db2.gz GTOMXQBESQIXMH-FQEVSTJZSA-N 1 0 309.457 4.413 20 30 DIEDRO CS[C@@H]1CCC[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C1 ZINC001202970949 1046515616 /nfs/dbraw/zinc/51/56/16/1046515616.db2.gz NQIGZLHNMNBYAV-DLBZAZTESA-N 1 0 300.471 4.201 20 30 DIEDRO CS[C@H]1CCC[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C1 ZINC001202971066 1046516442 /nfs/dbraw/zinc/51/64/42/1046516442.db2.gz NQIGZLHNMNBYAV-IRXDYDNUSA-N 1 0 300.471 4.201 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cnc(-c2ccc(OC)cc2)s1 ZINC001139791647 1046517456 /nfs/dbraw/zinc/51/74/56/1046517456.db2.gz LAVAKPIZHJZMAH-UHFFFAOYSA-N 1 0 302.443 4.217 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000782543246 1046535305 /nfs/dbraw/zinc/53/53/05/1046535305.db2.gz GWFWTWNNCBHJLT-WFASDCNBSA-N 1 0 314.351 4.044 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c2ccccc12 ZINC001139890985 1046547487 /nfs/dbraw/zinc/54/74/87/1046547487.db2.gz KZEKQWSJPUEKTP-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO Cn1ncc2ccc(C[N@H+](CCC#N)C3CCCCCCC3)cc21 ZINC001139910114 1046553399 /nfs/dbraw/zinc/55/33/99/1046553399.db2.gz ZYSZFZHOUQOIKM-UHFFFAOYSA-N 1 0 324.472 4.402 20 30 DIEDRO C=C(C)COc1cc(C[N@H+](C)Cc2ccsc2)ccc1OC ZINC000678126255 1046563583 /nfs/dbraw/zinc/56/35/83/1046563583.db2.gz LJCGPMYWMRHDJJ-UHFFFAOYSA-N 1 0 317.454 4.344 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)nc1 ZINC000783299581 1046576020 /nfs/dbraw/zinc/57/60/20/1046576020.db2.gz DXGMVIPJRCZNLL-HNNXBMFYSA-N 1 0 318.207 4.037 20 30 DIEDRO N#CCCN(Cc1cc(O)ccc1F)C1CCCCCCC1 ZINC001140047821 1046576384 /nfs/dbraw/zinc/57/63/84/1046576384.db2.gz OJLWTHYQMPOHHO-UHFFFAOYSA-N 1 0 304.409 4.360 20 30 DIEDRO C=CCc1cc(C[NH2+]C/C=C\c2ccccc2)cc(OC)c1OC ZINC000729683515 1046576463 /nfs/dbraw/zinc/57/64/63/1046576463.db2.gz VUJQQFYYLJIXKD-WQLSENKSSA-N 1 0 323.436 4.235 20 30 DIEDRO COc1ccc([C@@H](CCC(C)C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000783301653 1046576934 /nfs/dbraw/zinc/57/69/34/1046576934.db2.gz ZPDJJYJGFAYMFC-HXUWFJFHSA-N 1 0 323.440 4.229 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(-c2ccccc2)c1 ZINC000783300794 1046577243 /nfs/dbraw/zinc/57/72/43/1046577243.db2.gz QPFOYVBVQVTBHM-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)nc1 ZINC000783300155 1046577336 /nfs/dbraw/zinc/57/73/36/1046577336.db2.gz IZQAONQISBHNKL-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCCCC2)nc1 ZINC000783300156 1046577857 /nfs/dbraw/zinc/57/78/57/1046577857.db2.gz IZQAONQISBHNKL-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000783312101 1046579550 /nfs/dbraw/zinc/57/95/50/1046579550.db2.gz ZQLDEDVZGJSONR-YOEHRIQHSA-N 1 0 307.821 4.161 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H](c4cccc(F)c4)C3)c2c1 ZINC001140115304 1046594528 /nfs/dbraw/zinc/59/45/28/1046594528.db2.gz UFGNOSDEAZPHEX-INIZCTEOSA-N 1 0 319.383 4.168 20 30 DIEDRO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)[C@@H]1CCc2ccccc21 ZINC001140118113 1046594658 /nfs/dbraw/zinc/59/46/58/1046594658.db2.gz DFOKHVOFOHWNTP-HXUWFJFHSA-N 1 0 301.393 4.159 20 30 DIEDRO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)C(C)(C)Cc1ccccc1 ZINC001140116018 1046595521 /nfs/dbraw/zinc/59/55/21/1046595521.db2.gz OEGZXCHRKVVMJB-UHFFFAOYSA-N 1 0 317.436 4.493 20 30 DIEDRO N#Cc1ccc(CN2CCC[C@H]2c2cc(F)ccc2F)c(F)c1 ZINC001140137352 1046598388 /nfs/dbraw/zinc/59/83/88/1046598388.db2.gz DLICUJOUFPGPNA-SFHVURJKSA-N 1 0 316.326 4.313 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000163435461 1046601395 /nfs/dbraw/zinc/60/13/95/1046601395.db2.gz VBVIJWNHXOQDHW-UXLLHSPISA-N 1 0 323.864 4.020 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000248402549 1046608948 /nfs/dbraw/zinc/60/89/48/1046608948.db2.gz VPLUHORDGPXRKC-HZMVEIRTSA-N 1 0 322.493 4.109 20 30 DIEDRO Cc1ccc(C)c(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1O ZINC001140182030 1046609450 /nfs/dbraw/zinc/60/94/50/1046609450.db2.gz GGTIXAXTTAMFEQ-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO C#CC[N@@H+](Cc1c(C)ccc(C)c1O)[C@@H]1CCc2ccccc21 ZINC001140182191 1046610185 /nfs/dbraw/zinc/61/01/85/1046610185.db2.gz JYKSBPNAPNKXIG-HXUWFJFHSA-N 1 0 305.421 4.132 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@@H]2CCCC[C@@H]21 ZINC000783592755 1046612989 /nfs/dbraw/zinc/61/29/89/1046612989.db2.gz JGZGTBKIZVWNLX-NSISKUIASA-N 1 0 311.473 4.047 20 30 DIEDRO C#CC[N@@H+](Cc1cc(C)c(O)cc1C)[C@@H]1CCc2ccccc21 ZINC001140201616 1046614288 /nfs/dbraw/zinc/61/42/88/1046614288.db2.gz SKAJROJHIXVFNL-HXUWFJFHSA-N 1 0 305.421 4.132 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000834435402 1046617732 /nfs/dbraw/zinc/61/77/32/1046617732.db2.gz CWJGMRMLEMHGLK-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO CCS[C@H]1CCCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093361762 1046625106 /nfs/dbraw/zinc/62/51/06/1046625106.db2.gz LQGBCRZPOXWFAR-YJBOKZPZSA-N 1 0 318.486 4.085 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000093533554 1046632963 /nfs/dbraw/zinc/63/29/63/1046632963.db2.gz NOPMQQKIVNTUEZ-UHFFFAOYSA-N 1 0 306.841 4.064 20 30 DIEDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2sccc21 ZINC000834639802 1046643273 /nfs/dbraw/zinc/64/32/73/1046643273.db2.gz BYUALFFUWUDADE-GUYCJALGSA-N 1 0 312.438 4.379 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)c3ccsc32)cc1C#N ZINC000834689707 1046650377 /nfs/dbraw/zinc/65/03/77/1046650377.db2.gz RFPYAUZXPJNIGI-LRDDRELGSA-N 1 0 312.438 4.357 20 30 DIEDRO C#CC[N@@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCc2ccccc21 ZINC001137339879 1046653458 /nfs/dbraw/zinc/65/34/58/1046653458.db2.gz IEWVMCYIYVVROU-OAQYLSRUSA-N 1 0 318.395 4.430 20 30 DIEDRO C=CC[N@@H+](Cc1ccccc1-c1cnc(N)nc1)C1CCCCC1 ZINC001140326650 1046656664 /nfs/dbraw/zinc/65/66/64/1046656664.db2.gz VLORIXGTAKMBCL-UHFFFAOYSA-N 1 0 322.456 4.047 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000678606925 1046677017 /nfs/dbraw/zinc/67/70/17/1046677017.db2.gz YUWIJWBVONHWPS-AWEZNQCLSA-N 1 0 300.229 4.163 20 30 DIEDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000795793968 1046679179 /nfs/dbraw/zinc/67/91/79/1046679179.db2.gz BCURLXJELVQYRF-JFIYKMOQSA-N 1 0 300.471 4.199 20 30 DIEDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000795801096 1046680451 /nfs/dbraw/zinc/68/04/51/1046680451.db2.gz PRIFNCNSANWHSI-FQEVSTJZSA-N 1 0 320.436 4.491 20 30 DIEDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000795802098 1046680507 /nfs/dbraw/zinc/68/05/07/1046680507.db2.gz XTILYAKEYJYWDC-ZMYBRWDISA-N 1 0 324.424 4.021 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000795838904 1046685663 /nfs/dbraw/zinc/68/56/63/1046685663.db2.gz IZNAFDUNKOOWMA-PXAZEXFGSA-N 1 0 311.816 4.335 20 30 DIEDRO C[C@H]1CSCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000533287854 1046686431 /nfs/dbraw/zinc/68/64/31/1046686431.db2.gz BJQCBKSVODQHKI-HNNXBMFYSA-N 1 0 308.450 4.163 20 30 DIEDRO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CC=CCC1 ZINC000784386346 1046688471 /nfs/dbraw/zinc/68/84/71/1046688471.db2.gz WNBJWAOUJPCGBE-AWEZNQCLSA-N 1 0 304.821 4.030 20 30 DIEDRO C=C1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000533280730 1046689711 /nfs/dbraw/zinc/68/97/11/1046689711.db2.gz RBFVPNYOOGTEHH-UHFFFAOYSA-N 1 0 303.409 4.153 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678715867 1046690884 /nfs/dbraw/zinc/69/08/84/1046690884.db2.gz GSYCQHNAIMEVBZ-GARJFASQSA-N 1 0 303.290 4.404 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000533299961 1046691181 /nfs/dbraw/zinc/69/11/81/1046691181.db2.gz TYDIDAQPCHOJMD-CYBMUJFWSA-N 1 0 303.381 4.143 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784485592 1046691700 /nfs/dbraw/zinc/69/17/00/1046691700.db2.gz RHECYNFQWUISON-CQSZACIVSA-N 1 0 310.363 4.435 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(C)c2ncccc2c1)c1ccccc1 ZINC000784588429 1046697986 /nfs/dbraw/zinc/69/79/86/1046697986.db2.gz MUAZAYGVNZTWTB-FQEVSTJZSA-N 1 0 300.405 4.397 20 30 DIEDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCC#N)cc1 ZINC000784620900 1046701883 /nfs/dbraw/zinc/70/18/83/1046701883.db2.gz CTLINCBZYYQZHE-UHFFFAOYSA-N 1 0 307.441 4.106 20 30 DIEDRO C[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc(C#N)c(F)c1 ZINC000834892265 1046702616 /nfs/dbraw/zinc/70/26/16/1046702616.db2.gz KWSBXDSYJOAMCR-QMTHXVAHSA-N 1 0 315.219 4.322 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000533362416 1046703969 /nfs/dbraw/zinc/70/39/69/1046703969.db2.gz XSAWPTCHBBCMBZ-AWEZNQCLSA-N 1 0 311.372 4.131 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1nc(Cl)ccc1C#N ZINC001211989094 1046705547 /nfs/dbraw/zinc/70/55/47/1046705547.db2.gz IXIXNELLXQORLP-UHFFFAOYSA-N 1 0 314.820 4.192 20 30 DIEDRO C#Cc1cccc(NC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000784661828 1046706651 /nfs/dbraw/zinc/70/66/51/1046706651.db2.gz DSFVVHBAWOOYSH-UHFFFAOYSA-N 1 0 324.855 4.398 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H]2CCSc3ccc(OC)cc32)c1 ZINC000834901770 1046711702 /nfs/dbraw/zinc/71/17/02/1046711702.db2.gz BQZCCSSXDFHCPL-SFHVURJKSA-N 1 0 309.434 4.003 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000834902558 1046712305 /nfs/dbraw/zinc/71/23/05/1046712305.db2.gz HCUZVZDTBGFQAU-HZPDHXFCSA-N 1 0 323.864 4.285 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(N(C)C)cc1 ZINC000834902315 1046713732 /nfs/dbraw/zinc/71/37/32/1046713732.db2.gz GVENOEIVCKYFQD-IBGZPJMESA-N 1 0 311.404 4.004 20 30 DIEDRO C=CC[NH+](CC=C)Cc1c(-c2ccccc2)nc2sccn12 ZINC000834908728 1046716683 /nfs/dbraw/zinc/71/66/83/1046716683.db2.gz HGFRZIHJLLEICG-UHFFFAOYSA-N 1 0 309.438 4.237 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccco1 ZINC000796723186 1046722070 /nfs/dbraw/zinc/72/20/70/1046722070.db2.gz KMXUEXZBWKJMRI-SFHVURJKSA-N 1 0 310.441 4.459 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000533443730 1046727163 /nfs/dbraw/zinc/72/71/63/1046727163.db2.gz MBZUUBVORFJEMK-IBGZPJMESA-N 1 0 306.409 4.076 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)cc(OC)c1O ZINC001203043643 1046757082 /nfs/dbraw/zinc/75/70/82/1046757082.db2.gz SCABHWSGSBZCGV-JKSUJKDBSA-N 1 0 303.446 4.044 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679026101 1046759879 /nfs/dbraw/zinc/75/98/79/1046759879.db2.gz VTLQTBSOUZXOKB-RBUKOAKNSA-N 1 0 321.468 4.335 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccco1 ZINC000796943496 1046761487 /nfs/dbraw/zinc/76/14/87/1046761487.db2.gz ZHLXEAOYEWIPGY-FUHWJXTLSA-N 1 0 319.832 4.438 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(F)c(C#N)c(F)c1 ZINC001211995955 1046764409 /nfs/dbraw/zinc/76/44/09/1046764409.db2.gz PJWXHMKFUQRPPQ-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1c(C)cc(C#N)cc1C#N ZINC001211996149 1046766793 /nfs/dbraw/zinc/76/67/93/1046766793.db2.gz ULMQMEGNEMWENG-UHFFFAOYSA-N 1 0 318.424 4.324 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000797005965 1046771349 /nfs/dbraw/zinc/77/13/49/1046771349.db2.gz FFKOWNGABWLPND-INIZCTEOSA-N 1 0 311.425 4.425 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(F)c(CC#N)c1 ZINC001211997775 1046774386 /nfs/dbraw/zinc/77/43/86/1046774386.db2.gz KYKYQJSDTDERFD-UHFFFAOYSA-N 1 0 311.404 4.477 20 30 DIEDRO Cc1cc(C)c(NC(=O)N[C@@H](CCC#N)c2ccccc2)c(C)n1 ZINC000455501341 1046777277 /nfs/dbraw/zinc/77/72/77/1046777277.db2.gz UJWRHQQKGFXIQB-KRWDZBQOSA-N 1 0 322.412 4.173 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccc(C)cc1)c1ccc(C#N)cc1 ZINC000797055907 1046781421 /nfs/dbraw/zinc/78/14/21/1046781421.db2.gz AEVDZSHMYNXABF-UIAACRFSSA-N 1 0 308.425 4.030 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000645477644 1046794563 /nfs/dbraw/zinc/79/45/63/1046794563.db2.gz AGCJIRZMKUYTAF-LSDHHAIUSA-N 1 0 305.462 4.388 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000645477629 1046794609 /nfs/dbraw/zinc/79/46/09/1046794609.db2.gz AGCJIRZMKUYTAF-CABCVRRESA-N 1 0 305.462 4.388 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc3[nH]c(C)cc3c2)cc1 ZINC000797135758 1046795333 /nfs/dbraw/zinc/79/53/33/1046795333.db2.gz UCGZRXYBVVMAEF-INIZCTEOSA-N 1 0 318.420 4.339 20 30 DIEDRO Cc1ccc(F)cc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001140592705 1046799344 /nfs/dbraw/zinc/79/93/44/1046799344.db2.gz XHBUOOOZPGEKOO-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C=CCC(C)(C)c1noc(-c2ccc(C[NH+](CC)CC)o2)n1 ZINC000645627399 1046804582 /nfs/dbraw/zinc/80/45/82/1046804582.db2.gz MBMSXUYCVQQCFG-UHFFFAOYSA-N 1 0 303.406 4.025 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NC(C)C)cc1 ZINC001140619182 1046814788 /nfs/dbraw/zinc/81/47/88/1046814788.db2.gz OMKZQOZQNKKCHP-UHFFFAOYSA-N 1 0 322.452 4.013 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC(F)F)c(O)c1)C1CCCCC1 ZINC001140629869 1046817976 /nfs/dbraw/zinc/81/79/76/1046817976.db2.gz DGMYGSQDWDKESD-UHFFFAOYSA-N 1 0 311.372 4.314 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC001203055917 1046840250 /nfs/dbraw/zinc/84/02/50/1046840250.db2.gz VTQWUDIDGOWLDN-UHFFFAOYSA-N 1 0 301.455 4.247 20 30 DIEDRO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237356913 1046862834 /nfs/dbraw/zinc/86/28/34/1046862834.db2.gz KAHNEVYGXMNSOT-IRXDYDNUSA-N 1 0 308.425 4.007 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000679576830 1046873515 /nfs/dbraw/zinc/87/35/15/1046873515.db2.gz WBVLBIXCSTWCPT-GFCCVEGCSA-N 1 0 320.433 4.111 20 30 DIEDRO C=CCOCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000679575865 1046874595 /nfs/dbraw/zinc/87/45/95/1046874595.db2.gz CUPZDUJEOZQJMP-HNNXBMFYSA-N 1 0 300.229 4.237 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000679576819 1046874647 /nfs/dbraw/zinc/87/46/47/1046874647.db2.gz VPUQUCIUTMAANG-KRWDZBQOSA-N 1 0 311.425 4.119 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CCOCC1 ZINC001203061677 1046874867 /nfs/dbraw/zinc/87/48/67/1046874867.db2.gz HOQDVQMELNNCLC-UHFFFAOYSA-N 1 0 311.425 4.470 20 30 DIEDRO N#Cc1c(F)cc(C[N@H+](Cc2ccccc2)C2CCC2)cc1F ZINC001140755843 1046887354 /nfs/dbraw/zinc/88/73/54/1046887354.db2.gz VKBXWGQRWFKBRD-UHFFFAOYSA-N 1 0 312.363 4.391 20 30 DIEDRO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CCc4ccccc43)CC2)cc1 ZINC000614963411 1046891737 /nfs/dbraw/zinc/89/17/37/1046891737.db2.gz CEVRYTKVNWREIC-NRFANRHFSA-N 1 0 300.405 4.335 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000614963136 1046892411 /nfs/dbraw/zinc/89/24/11/1046892411.db2.gz WSNBSBSXHQHWPU-MRXNPFEDSA-N 1 0 318.420 4.141 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1cccc(C#N)c1Cl ZINC001140809996 1046912663 /nfs/dbraw/zinc/91/26/63/1046912663.db2.gz PWHNOHLSEMLYKO-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CC1(C)CCC2(CC[NH+](Cc3cccc(C#N)c3Cl)CC2)O1 ZINC001140813185 1046914712 /nfs/dbraw/zinc/91/47/12/1046914712.db2.gz YMBVZDSIKUBMEF-UHFFFAOYSA-N 1 0 318.848 4.135 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2ccncc2)c1 ZINC001137393857 1046918334 /nfs/dbraw/zinc/91/83/34/1046918334.db2.gz LRWCJUBQKWIZCL-IRTIRVBGSA-N 1 0 303.409 4.015 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000572279048 1046931396 /nfs/dbraw/zinc/93/13/96/1046931396.db2.gz PISNMFSSGUBDDC-NSHGMRRFSA-N 1 0 313.485 4.458 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)C1 ZINC001203074406 1046941836 /nfs/dbraw/zinc/94/18/36/1046941836.db2.gz HAJVONWNPFQGJZ-HOTGVXAUSA-N 1 0 322.493 4.158 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC001258721261 1046946717 /nfs/dbraw/zinc/94/67/17/1046946717.db2.gz QVHPQNXEPFXRMX-CYBMUJFWSA-N 1 0 308.263 4.425 20 30 DIEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccccc2Cl)cc1 ZINC000303701333 1046949016 /nfs/dbraw/zinc/94/90/16/1046949016.db2.gz IGGRBXXQMGXCHP-UHFFFAOYSA-N 1 0 317.820 4.054 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCc2cccc(C(F)(F)F)c2)cc1C ZINC000303702904 1046949173 /nfs/dbraw/zinc/94/91/73/1046949173.db2.gz JGBCLOKMRMKFCH-UHFFFAOYSA-N 1 0 321.346 4.249 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000615085918 1046950642 /nfs/dbraw/zinc/95/06/42/1046950642.db2.gz RCHMOGPPWYUXDU-UYAOXDASSA-N 1 0 308.400 4.297 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(-c2ccccc2)cc1 ZINC000615092137 1046961167 /nfs/dbraw/zinc/96/11/67/1046961167.db2.gz BDHBPEQMUAVKPL-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(F)c(Cl)c2)c1 ZINC000303768317 1046963464 /nfs/dbraw/zinc/96/34/64/1046963464.db2.gz AHCVLPIPBPCSJM-UHFFFAOYSA-N 1 0 305.784 4.023 20 30 DIEDRO CCOc1ccccc1CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303784009 1046963585 /nfs/dbraw/zinc/96/35/85/1046963585.db2.gz OVOZLGMYPWSIGF-UHFFFAOYSA-N 1 0 311.429 4.136 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](CC(C)C)c2ccc(OC)cc2)CC1 ZINC000647288008 1046968808 /nfs/dbraw/zinc/96/88/08/1046968808.db2.gz AVMLCEXYRJKBSH-FQEVSTJZSA-N 1 0 316.489 4.022 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccccn2)s1)Cc1ccc(C#N)cc1 ZINC001141001091 1046974309 /nfs/dbraw/zinc/97/43/09/1046974309.db2.gz WNZLYHLCMPVPOV-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO C[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1cccc(C#N)c1 ZINC000618725823 1046978288 /nfs/dbraw/zinc/97/82/88/1046978288.db2.gz NIXWXESBHXUBNI-LBPRGKRZSA-N 1 0 309.394 4.126 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccc(Cl)s1 ZINC000037284529 1046981870 /nfs/dbraw/zinc/98/18/70/1046981870.db2.gz DVXAHPQVTDGZOO-NSHDSACASA-N 1 0 306.818 4.155 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000798928737 1046986584 /nfs/dbraw/zinc/98/65/84/1046986584.db2.gz DDBVRFICXKOLMU-JTQLQIEISA-N 1 0 322.168 4.135 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000611935569 1046992930 /nfs/dbraw/zinc/99/29/30/1046992930.db2.gz YNNULGMHCLUKRJ-LJQANCHMSA-N 1 0 313.489 4.133 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001258722404 1046993749 /nfs/dbraw/zinc/99/37/49/1046993749.db2.gz IBLCNFDKZCYHEL-LRDDRELGSA-N 1 0 308.263 4.251 20 30 DIEDRO Cc1ccc(C2=CC[N@H+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000799105646 1046998516 /nfs/dbraw/zinc/99/85/16/1046998516.db2.gz FNQOGPSFFSAUCB-UHFFFAOYSA-N 1 0 324.468 4.185 20 30 DIEDRO COc1cc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)ccc1C ZINC000303864226 1046999034 /nfs/dbraw/zinc/99/90/34/1046999034.db2.gz AUQWMFYOAIAITQ-UHFFFAOYSA-N 1 0 311.429 4.054 20 30 DIEDRO CSc1ccc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)cc1 ZINC000303872343 1046999432 /nfs/dbraw/zinc/99/94/32/1046999432.db2.gz GHYZCVSUDHZHQM-UHFFFAOYSA-N 1 0 313.470 4.459 20 30 DIEDRO N#CC1(CCC[NH+]2CCC(C3CCCCC3)CC2)CCOCC1 ZINC000799113233 1046999629 /nfs/dbraw/zinc/99/96/29/1046999629.db2.gz AQZWSMHFYUVOML-UHFFFAOYSA-N 1 0 318.505 4.379 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](CCOC)c1ccc(C)o1)c1ccc(C#N)cc1 ZINC000278356258 1047000735 /nfs/dbraw/zinc/00/07/35/1047000735.db2.gz BBTARLQBUJKPER-MSOLQXFVSA-N 1 0 312.413 4.278 20 30 DIEDRO CCCCOc1cccc(CNC(=[NH2+])Nc2cccc(C)c2)c1 ZINC000303895941 1047002402 /nfs/dbraw/zinc/00/24/02/1047002402.db2.gz PTFSCTFHTVZJAD-UHFFFAOYSA-N 1 0 311.429 4.101 20 30 DIEDRO Cc1cccc2[nH]cc(CCNC(=[NH2+])Nc3ccc(C)c(C)c3)c21 ZINC000303974570 1047011567 /nfs/dbraw/zinc/01/15/67/1047011567.db2.gz IAMRZIDFDBHXLN-UHFFFAOYSA-N 1 0 320.440 4.062 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1Cl ZINC001141114173 1047016703 /nfs/dbraw/zinc/01/67/03/1047016703.db2.gz GPQZHGWVDAFHIZ-CMPLNLGQSA-N 1 0 309.866 4.010 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CCC3(C2)CCCCC3)c1Cl ZINC001141115732 1047016884 /nfs/dbraw/zinc/01/68/84/1047016884.db2.gz GWDMCRCBUWLQRY-UHFFFAOYSA-N 1 0 309.866 4.012 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1Cl ZINC001141114175 1047017086 /nfs/dbraw/zinc/01/70/86/1047017086.db2.gz GPQZHGWVDAFHIZ-ZYHUDNBSSA-N 1 0 309.866 4.010 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1Cl ZINC001141114174 1047018319 /nfs/dbraw/zinc/01/83/19/1047018319.db2.gz GPQZHGWVDAFHIZ-JQWIXIFHSA-N 1 0 309.866 4.010 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141118280 1047019476 /nfs/dbraw/zinc/01/94/76/1047019476.db2.gz RQSMSLJCHOHMPZ-OHFIKTQHSA-N 1 0 321.399 4.154 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2SC)cc1 ZINC000799345174 1047020426 /nfs/dbraw/zinc/02/04/26/1047020426.db2.gz UMGSDVQNPCPCNO-HNNXBMFYSA-N 1 0 311.450 4.271 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141117876 1047020568 /nfs/dbraw/zinc/02/05/68/1047020568.db2.gz AHJIEXNHMWQLAB-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO [NH2+]=C(NCCc1ccco1)Nc1cccc(Oc2ccccc2)c1 ZINC000304495653 1047038775 /nfs/dbraw/zinc/03/87/75/1047038775.db2.gz PNCKNMDCUUYZRD-UHFFFAOYSA-N 1 0 321.380 4.041 20 30 DIEDRO C[C@@H]([NH2+]CCCCCOc1ccccc1)c1cccc(C#N)c1 ZINC000615134290 1047042166 /nfs/dbraw/zinc/04/21/66/1047042166.db2.gz JIRFKTPNUNNFOT-QGZVFWFLSA-N 1 0 308.425 4.458 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c(F)c1 ZINC001141198044 1047044099 /nfs/dbraw/zinc/04/40/99/1047044099.db2.gz SSWRDVQEPJCFEK-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@H]([N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)C(C)(C)C ZINC000536655885 1047046877 /nfs/dbraw/zinc/04/68/77/1047046877.db2.gz MTCWHUDUQIWTBJ-INIZCTEOSA-N 1 0 324.472 4.330 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000536668684 1047049190 /nfs/dbraw/zinc/04/91/90/1047049190.db2.gz NMGZJSQNNOXMLS-FQEVSTJZSA-N 1 0 308.425 4.292 20 30 DIEDRO Cc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1C ZINC000304754157 1047051008 /nfs/dbraw/zinc/05/10/08/1047051008.db2.gz LQSBUJKYXRNGJE-DLBZAZTESA-N 1 0 313.832 4.240 20 30 DIEDRO CCc1ccc(NC(=[NH2+])NCCc2c[nH]c3c2cccc3C)cc1 ZINC000304751426 1047051173 /nfs/dbraw/zinc/05/11/73/1047051173.db2.gz JFQNLMPGBQIUNP-UHFFFAOYSA-N 1 0 320.440 4.008 20 30 DIEDRO CCc1ccc(NC(=[NH2+])NCc2ccccc2OC2CCC2)cc1 ZINC000304764897 1047054111 /nfs/dbraw/zinc/05/41/11/1047054111.db2.gz YQNYGBKJHOQGJA-UHFFFAOYSA-N 1 0 323.440 4.107 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCCc2c(OC)cccc21)c1ccncc1 ZINC000799719335 1047055349 /nfs/dbraw/zinc/05/53/49/1047055349.db2.gz ZSQQCJARUNTWMW-RBUKOAKNSA-N 1 0 308.425 4.375 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000536664063 1047057476 /nfs/dbraw/zinc/05/74/76/1047057476.db2.gz DBQLCWIQWKQBGO-PMACEKPBSA-N 1 0 320.436 4.275 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NC[C@H](C)Sc2ccccc2)cc1C ZINC000304803763 1047058821 /nfs/dbraw/zinc/05/88/21/1047058821.db2.gz QGYYHEFMPYNIMI-HNNXBMFYSA-N 1 0 313.470 4.211 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1F ZINC001141289140 1047077029 /nfs/dbraw/zinc/07/70/29/1047077029.db2.gz BOJHFWVKLPVMRP-KUHUBIRLSA-N 1 0 310.372 4.140 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC(F)CC3)cc2)cc1 ZINC001141289807 1047077757 /nfs/dbraw/zinc/07/77/57/1047077757.db2.gz PEMJPTKYGZAJSR-UHFFFAOYSA-N 1 0 310.372 4.284 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)cc2)cc1 ZINC001141296027 1047078653 /nfs/dbraw/zinc/07/86/53/1047078653.db2.gz RFDHQBCYSPHWQL-ZWOKBUDYSA-N 1 0 322.383 4.283 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H]4C[C@@H]43)cc2)cc1 ZINC001141295412 1047078949 /nfs/dbraw/zinc/07/89/49/1047078949.db2.gz CEPRFKSEROXJKK-XLIONFOSSA-N 1 0 304.393 4.335 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@H]4F)cc2)cc1 ZINC001141293993 1047079139 /nfs/dbraw/zinc/07/91/39/1047079139.db2.gz RFDHQBCYSPHWQL-ABSDTBQOSA-N 1 0 322.383 4.283 20 30 DIEDRO C#CCCCCNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000304994528 1047081093 /nfs/dbraw/zinc/08/10/93/1047081093.db2.gz ABXUWHPEAUJLOY-UHFFFAOYSA-N 1 0 307.397 4.009 20 30 DIEDRO CC(C)CC1(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)CC1 ZINC000305039854 1047086294 /nfs/dbraw/zinc/08/62/94/1047086294.db2.gz UXDSZKWSHDPIBS-UHFFFAOYSA-N 1 0 303.450 4.027 20 30 DIEDRO COc1ccsc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001141326922 1047093765 /nfs/dbraw/zinc/09/37/65/1047093765.db2.gz WXQNAQKSLYGGDE-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000305109391 1047097951 /nfs/dbraw/zinc/09/79/51/1047097951.db2.gz CKBCXZCOMOGWQS-VAMGGRTRSA-N 1 0 319.452 4.123 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536842928 1047108540 /nfs/dbraw/zinc/10/85/40/1047108540.db2.gz BOTYABNMPFZNHQ-CABCVRRESA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000536857058 1047113237 /nfs/dbraw/zinc/11/32/37/1047113237.db2.gz JHBUQVZFKYGDJT-MRXNPFEDSA-N 1 0 315.486 4.472 20 30 DIEDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000681391862 1047120277 /nfs/dbraw/zinc/12/02/77/1047120277.db2.gz FXGRSPIDZMDPIG-ZETCQYMHSA-N 1 0 317.248 4.454 20 30 DIEDRO C=C(CC)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000536893606 1047121231 /nfs/dbraw/zinc/12/12/31/1047121231.db2.gz NFIGNPSOTIXKEV-UHFFFAOYSA-N 1 0 301.409 4.046 20 30 DIEDRO COc1ccccc1[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC000537039360 1047131650 /nfs/dbraw/zinc/13/16/50/1047131650.db2.gz OMEGAMVWHJTEDH-KRWDZBQOSA-N 1 0 310.372 4.043 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCOc2ccccc2C#N)c1 ZINC000537023884 1047133383 /nfs/dbraw/zinc/13/33/83/1047133383.db2.gz QGVHUGNDSLQQNL-MRXNPFEDSA-N 1 0 324.424 4.075 20 30 DIEDRO Cc1ccc2cc(CN(CCC#N)Cc3ccccc3)ccc2n1 ZINC001141472686 1047143881 /nfs/dbraw/zinc/14/38/81/1047143881.db2.gz BJRSZWIMJMPCBV-UHFFFAOYSA-N 1 0 315.420 4.459 20 30 DIEDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001116470346 1047144901 /nfs/dbraw/zinc/14/49/01/1047144901.db2.gz NFXQYYVYWJVXFW-MGPUTAFESA-N 1 0 306.409 4.002 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC001116459674 1047145339 /nfs/dbraw/zinc/14/53/39/1047145339.db2.gz KZAZCSAZTPURHX-FQEVSTJZSA-N 1 0 306.409 4.146 20 30 DIEDRO C[C@H]([NH2+]CCc1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC001116519241 1047151640 /nfs/dbraw/zinc/15/16/40/1047151640.db2.gz MYORKRREKYFBRT-NSHDSACASA-N 1 0 320.770 4.383 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000537205152 1047152006 /nfs/dbraw/zinc/15/20/06/1047152006.db2.gz WSZKVUGBMVXENP-UHFFFAOYSA-N 1 0 303.475 4.327 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@H]2CCc3ccccc32)cc1 ZINC000827745987 1047152104 /nfs/dbraw/zinc/15/21/04/1047152104.db2.gz JSZOQOBOSVWMBQ-VQIMIIECSA-N 1 0 320.436 4.139 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001116569065 1047158763 /nfs/dbraw/zinc/15/87/63/1047158763.db2.gz ZYZGSLLWEXDXSR-NVXWUHKLSA-N 1 0 321.420 4.051 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Nc1ccccc1 ZINC000537294154 1047159097 /nfs/dbraw/zinc/15/90/97/1047159097.db2.gz ZHFOOFDZCWFOBJ-OXQOHEQNSA-N 1 0 307.441 4.346 20 30 DIEDRO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Oc1ccc(Cl)cc1 ZINC000537294115 1047159803 /nfs/dbraw/zinc/15/98/03/1047159803.db2.gz VKUUDBUCMPWUDM-ZIAGYGMSSA-N 1 0 314.816 4.330 20 30 DIEDRO CC(C)Cc1ccc([C@H]([NH2+]C[C@@H](C#N)CCC#N)C2CC2)cc1 ZINC000537291152 1047159881 /nfs/dbraw/zinc/15/98/81/1047159881.db2.gz MHQXWMBNUWADTL-XLIONFOSSA-N 1 0 309.457 4.369 20 30 DIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000537294767 1047161880 /nfs/dbraw/zinc/16/18/80/1047161880.db2.gz DRIGLPOPLZDUMK-IRXDYDNUSA-N 1 0 313.489 4.109 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC000537342918 1047173390 /nfs/dbraw/zinc/17/33/90/1047173390.db2.gz GXYWMKIVSMQNSC-CRAIPNDOSA-N 1 0 323.864 4.198 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000649779613 1047174113 /nfs/dbraw/zinc/17/41/13/1047174113.db2.gz OTQXDFWLDVAELO-VYDXJSESSA-N 1 0 317.477 4.192 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000838915645 1047174236 /nfs/dbraw/zinc/17/42/36/1047174236.db2.gz NWOVOPYTIVHGSN-HZPDHXFCSA-N 1 0 313.363 4.073 20 30 DIEDRO C[N@H+](CC(C)(C)C#N)[C@@H]1CCCc2ccc(Br)cc21 ZINC000433299353 1047176628 /nfs/dbraw/zinc/17/66/28/1047176628.db2.gz BLRULWNSPXGOCC-OAHLLOKOSA-N 1 0 321.262 4.308 20 30 DIEDRO C[C@H]([NH2+]CCc1ccccc1Cl)c1ccc(C#N)c(F)c1 ZINC000537406062 1047181884 /nfs/dbraw/zinc/18/18/84/1047181884.db2.gz CPQVZBYQESTEOL-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000537407378 1047181927 /nfs/dbraw/zinc/18/19/27/1047181927.db2.gz KAIATLSGKYNDBD-OLZOCXBDSA-N 1 0 300.352 4.291 20 30 DIEDRO C#CCC[NH2+][C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000760297482 1047194802 /nfs/dbraw/zinc/19/48/02/1047194802.db2.gz XUCOGSMIOZQVLI-GOSISDBHSA-N 1 0 317.404 4.389 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(C(F)(F)F)cc1O ZINC000839164038 1047200885 /nfs/dbraw/zinc/20/08/85/1047200885.db2.gz WITFGXKMPLZAQK-CYBMUJFWSA-N 1 0 314.351 4.392 20 30 DIEDRO C#CCCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000760328253 1047212003 /nfs/dbraw/zinc/21/20/03/1047212003.db2.gz FBEZWIFHQCIPPV-AWEZNQCLSA-N 1 0 312.638 4.093 20 30 DIEDRO CN(Cc1cc(C#N)cs1)Cc1ccc(C(F)F)c(F)c1 ZINC000897624670 1047248308 /nfs/dbraw/zinc/24/83/08/1047248308.db2.gz UMSMOFIHRPFQEF-UHFFFAOYSA-N 1 0 310.344 4.328 20 30 DIEDRO C#CC(C)(C)[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000839581253 1047248356 /nfs/dbraw/zinc/24/83/56/1047248356.db2.gz PVJGNBFTXRCBQR-UHFFFAOYSA-N 1 0 320.436 4.026 20 30 DIEDRO N#CCCC[C@H]([NH2+]CC[C@@H](O)c1ccccc1)c1ccccc1 ZINC000839608238 1047249397 /nfs/dbraw/zinc/24/93/97/1047249397.db2.gz QUKKTAFKFGDYNW-VQTJNVASSA-N 1 0 308.425 4.135 20 30 DIEDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001141660833 1047251228 /nfs/dbraw/zinc/25/12/28/1047251228.db2.gz MPJNGYSWDWNUJK-CQSZACIVSA-N 1 0 307.235 4.085 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH+]2CCCCCCC2)c1 ZINC001141660670 1047251850 /nfs/dbraw/zinc/25/18/50/1047251850.db2.gz HPLUXVMZNBIKOV-UHFFFAOYSA-N 1 0 307.235 4.087 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001203112900 1047255051 /nfs/dbraw/zinc/25/50/51/1047255051.db2.gz FIXGEGKQGIHZMO-SUMWQHHRSA-N 1 0 305.849 4.499 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(CC#N)cc1 ZINC001118238266 1047276463 /nfs/dbraw/zinc/27/64/63/1047276463.db2.gz BBEILBKPTDSLBY-RHSMWYFYSA-N 1 0 306.409 4.105 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cccc3[nH]c(=O)oc32)CCCC1 ZINC001203113851 1047288569 /nfs/dbraw/zinc/28/85/69/1047288569.db2.gz SXBIGEJEWZMPOW-UHFFFAOYSA-N 1 0 300.402 4.150 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000390287554 1047295382 /nfs/dbraw/zinc/29/53/82/1047295382.db2.gz GEVOLLNKMXOZQY-LJQANCHMSA-N 1 0 312.388 4.215 20 30 DIEDRO CC[N@H+](Cc1cc(Br)ccc1C#N)C1CCCCC1 ZINC001141894474 1047305049 /nfs/dbraw/zinc/30/50/49/1047305049.db2.gz LXWICHXDFLRBPQ-UHFFFAOYSA-N 1 0 321.262 4.475 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000393797209 1047310041 /nfs/dbraw/zinc/31/00/41/1047310041.db2.gz JHLPUMBJJDSAFC-HRCADAONSA-N 1 0 310.482 4.109 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@@H]2c2ccccc2)ccc1C#N ZINC001141938588 1047312255 /nfs/dbraw/zinc/31/22/55/1047312255.db2.gz FLFLNLFOYDYPFP-QGZVFWFLSA-N 1 0 309.438 4.012 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000395348216 1047323370 /nfs/dbraw/zinc/32/33/70/1047323370.db2.gz KGAUCOXTHBZTIE-UHFFFAOYSA-N 1 0 316.445 4.040 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)C1 ZINC000651767350 1047328248 /nfs/dbraw/zinc/32/82/48/1047328248.db2.gz QTRLALUZAUESRG-XJKCOSOUSA-N 1 0 315.392 4.271 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000651791200 1047329524 /nfs/dbraw/zinc/32/95/24/1047329524.db2.gz DLBVVZKIGKBYMR-BZPMIXESSA-N 1 0 309.251 4.240 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)CCOC)cc1 ZINC000840836203 1047341737 /nfs/dbraw/zinc/34/17/37/1047341737.db2.gz GAHPUUQOTZCWTG-UKRRQHHQSA-N 1 0 311.853 4.141 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](CO)C2)cc1 ZINC000840895744 1047357348 /nfs/dbraw/zinc/35/73/48/1047357348.db2.gz VDFHARCHSVCQEA-YQQAZPJKSA-N 1 0 323.864 4.020 20 30 DIEDRO C=CCC1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCCCC1 ZINC001142065442 1047365170 /nfs/dbraw/zinc/36/51/70/1047365170.db2.gz NLUDHVYYEIPZFP-FXAWDEMLSA-N 1 0 320.521 4.140 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000840962140 1047365303 /nfs/dbraw/zinc/36/53/03/1047365303.db2.gz FWGZJKGFVABCAT-NRFANRHFSA-N 1 0 317.432 4.022 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)CC(F)(F)F ZINC000840960429 1047365605 /nfs/dbraw/zinc/36/56/05/1047365605.db2.gz LWVOKYCRUZIQMX-OLZOCXBDSA-N 1 0 314.351 4.046 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@H+](CC1CC1)C1CCC1 ZINC000796575957 1047398432 /nfs/dbraw/zinc/39/84/32/1047398432.db2.gz CYIFOPHFHHROMG-UHFFFAOYSA-N 1 0 304.821 4.007 20 30 DIEDRO CCCCCCCCCN(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000841321988 1047409693 /nfs/dbraw/zinc/40/96/93/1047409693.db2.gz FBDDQSRRIGPJQF-UHFFFAOYSA-N 1 0 305.466 4.360 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnc(C2CCC2)s1 ZINC000618743132 1047415303 /nfs/dbraw/zinc/41/53/03/1047415303.db2.gz XLYXHYNKWNOTCZ-KRWDZBQOSA-N 1 0 309.438 4.059 20 30 DIEDRO CC[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)cc2)ccc1OC ZINC000749701640 1047430866 /nfs/dbraw/zinc/43/08/66/1047430866.db2.gz SFMZCMAMTWQZEQ-OAHLLOKOSA-N 1 0 324.424 4.034 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2ncc(C)s2)c(O)c1 ZINC000749929723 1047448519 /nfs/dbraw/zinc/44/85/19/1047448519.db2.gz DOAGVRUAGXGSTP-FHNWIRHTSA-N 1 0 317.458 4.183 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1O ZINC000841760229 1047453291 /nfs/dbraw/zinc/45/32/91/1047453291.db2.gz DFSMJQSZROVLOM-MOPGFXCFSA-N 1 0 306.409 4.382 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000841763404 1047455412 /nfs/dbraw/zinc/45/54/12/1047455412.db2.gz XDOLNWKIKUCPRC-SJORKVTESA-N 1 0 323.827 4.261 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1O ZINC000841761858 1047455743 /nfs/dbraw/zinc/45/57/43/1047455743.db2.gz LWCYZJDDTLPMNV-SGTLLEGYSA-N 1 0 310.372 4.131 20 30 DIEDRO CCCCCCCCCC[C@@H](C)NC(=O)N1CCC([NH3+])CC1 ZINC000841868586 1047460322 /nfs/dbraw/zinc/46/03/22/1047460322.db2.gz RCGDNZYTJIYDHE-MRXNPFEDSA-N 1 0 311.514 4.038 20 30 DIEDRO CC(C)C[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000537628355 1047484764 /nfs/dbraw/zinc/48/47/64/1047484764.db2.gz FORCZWRVKJFDID-SFHVURJKSA-N 1 0 300.446 4.237 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(NC(=O)CCC)c1)C1CC1 ZINC000120236091 1047486793 /nfs/dbraw/zinc/48/67/93/1047486793.db2.gz WZKYKYSFKPZQMU-SFHVURJKSA-N 1 0 300.446 4.260 20 30 DIEDRO C=CCC[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C1CC1 ZINC000120456626 1047490037 /nfs/dbraw/zinc/49/00/37/1047490037.db2.gz BTXKLLJOWRSFCW-IBGZPJMESA-N 1 0 317.448 4.208 20 30 DIEDRO Cc1ccc(C[C@@H](C#N)SCC[NH+](C(C)C)C(C)C)cc1 ZINC000842570405 1047490620 /nfs/dbraw/zinc/49/06/20/1047490620.db2.gz YBUGYHXJUWQZJN-SFHVURJKSA-N 1 0 304.503 4.282 20 30 DIEDRO CC1(C)CCc2cc(C[NH2+]Cc3ccc(CC#N)cc3)ccc2O1 ZINC000842719739 1047499960 /nfs/dbraw/zinc/49/99/60/1047499960.db2.gz KBLCVCHFLKQQMW-UHFFFAOYSA-N 1 0 320.436 4.146 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(c3ccccc3F)CCC2)cc1 ZINC000842746988 1047501458 /nfs/dbraw/zinc/50/14/58/1047501458.db2.gz GYGPLWZUECYEOI-HNNXBMFYSA-N 1 0 324.399 4.286 20 30 DIEDRO Cc1cccc(C2([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CCC2)c1 ZINC000842747570 1047502086 /nfs/dbraw/zinc/50/20/86/1047502086.db2.gz UPKXRWJAUXPJDW-QGZVFWFLSA-N 1 0 320.436 4.455 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)c[nH]c2c1 ZINC001142922714 1047514326 /nfs/dbraw/zinc/51/43/26/1047514326.db2.gz RNLLTSPTSUGMIE-QGZVFWFLSA-N 1 0 307.441 4.442 20 30 DIEDRO C[N@H+](C/C=C/c1ccccc1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922774 1047514716 /nfs/dbraw/zinc/51/47/16/1047514716.db2.gz VGWKXWWFNSTDHJ-VMPITWQZSA-N 1 0 301.393 4.185 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921670 1047515070 /nfs/dbraw/zinc/51/50/70/1047515070.db2.gz RWNLVUZVUOOGJU-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO N#Cc1ccc2c(C[N@H+]3CC[C@@H](c4ccc(F)cc4)C3)c[nH]c2c1 ZINC001142922453 1047515326 /nfs/dbraw/zinc/51/53/26/1047515326.db2.gz IHCZRAVWJNETND-MRXNPFEDSA-N 1 0 319.383 4.168 20 30 DIEDRO C=CCCC1(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000476565048 1047516209 /nfs/dbraw/zinc/51/62/09/1047516209.db2.gz NRCCQWOERJVZTI-UHFFFAOYSA-N 1 0 312.457 4.008 20 30 DIEDRO CC(C)C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000092008726 1047527559 /nfs/dbraw/zinc/52/75/59/1047527559.db2.gz KNHWTYCWEQOXOK-UHFFFAOYSA-N 1 0 322.456 4.084 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H](C)C(C)C ZINC000092590499 1047536996 /nfs/dbraw/zinc/53/69/96/1047536996.db2.gz PHOXYHLTQUKRMC-MRXNPFEDSA-N 1 0 318.461 4.244 20 30 DIEDRO C=CCn1c(C)cc(C(=O)CN(C)[C@@H](C)c2cccs2)c1C ZINC000096990636 1047569340 /nfs/dbraw/zinc/56/93/40/1047569340.db2.gz MLUJWAVTUVQLER-HNNXBMFYSA-N 1 0 316.470 4.228 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC001206635489 1047582897 /nfs/dbraw/zinc/58/28/97/1047582897.db2.gz CGTLSRPEMHYZFD-LBPRGKRZSA-N 1 0 303.372 4.334 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC001206635446 1047582983 /nfs/dbraw/zinc/58/29/83/1047582983.db2.gz CGTLSRPEMHYZFD-GFCCVEGCSA-N 1 0 303.372 4.334 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000237815391 1047595644 /nfs/dbraw/zinc/59/56/44/1047595644.db2.gz IMXHBRYMDSMGAN-KBWCOIMZSA-N 1 0 302.421 4.351 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)c2cccs2)cc1 ZINC000083601854 1047616865 /nfs/dbraw/zinc/61/68/65/1047616865.db2.gz JDWUVVMFCVCEKX-UHFFFAOYSA-N 1 0 301.455 4.380 20 30 DIEDRO C=CCC(C)(C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000477593798 1047627151 /nfs/dbraw/zinc/62/71/51/1047627151.db2.gz VQFXLNFQMCUIOK-KRWDZBQOSA-N 1 0 320.521 4.092 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CCCC1 ZINC000537979306 1047650107 /nfs/dbraw/zinc/65/01/07/1047650107.db2.gz ARZOMTDGLYRZDA-VNCLNFNDSA-N 1 0 312.457 4.417 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000538087572 1047657285 /nfs/dbraw/zinc/65/72/85/1047657285.db2.gz CMSAXFGDQZOOQN-JKIFEVAISA-N 1 0 317.864 4.053 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)c1 ZINC000538125031 1047658698 /nfs/dbraw/zinc/65/86/98/1047658698.db2.gz AJOHXDQZEOERCG-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000538125670 1047659148 /nfs/dbraw/zinc/65/91/48/1047659148.db2.gz YGHCRZAOHPNXMT-CYBMUJFWSA-N 1 0 321.873 4.343 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000538201590 1047661640 /nfs/dbraw/zinc/66/16/40/1047661640.db2.gz MWZTVXCHALAOMR-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(C#N)cc1 ZINC000538393658 1047673754 /nfs/dbraw/zinc/67/37/54/1047673754.db2.gz CTWBBDULKLDITF-IFXJQAMLSA-N 1 0 308.450 4.239 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)s1)Oc1cccc(Cl)c1 ZINC000538412358 1047675868 /nfs/dbraw/zinc/67/58/68/1047675868.db2.gz XGCMYIPIIXEMHV-ZDUSSCGKSA-N 1 0 320.845 4.220 20 30 DIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000538408278 1047676184 /nfs/dbraw/zinc/67/61/84/1047676184.db2.gz FIUGHOCGMDJGHQ-HZPDHXFCSA-N 1 0 308.425 4.096 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000538407396 1047676200 /nfs/dbraw/zinc/67/62/00/1047676200.db2.gz YMIWGLDKLAAWOS-KBPBESRZSA-N 1 0 314.816 4.330 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000538720767 1047700690 /nfs/dbraw/zinc/70/06/90/1047700690.db2.gz UYBSIBIZGCKIFE-WFASDCNBSA-N 1 0 300.402 4.137 20 30 DIEDRO N#Cc1ccc(C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)o1 ZINC000538727127 1047701812 /nfs/dbraw/zinc/70/18/12/1047701812.db2.gz VPGIKONIDUYUSV-UHFFFAOYSA-N 1 0 314.816 4.259 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1ccc(C#N)o1 ZINC000538752460 1047708607 /nfs/dbraw/zinc/70/86/07/1047708607.db2.gz MPNMFVYHRFEWEQ-OLZOCXBDSA-N 1 0 302.805 4.429 20 30 DIEDRO CC(C)([NH2+]C(C)(C)c1ccnc(Cl)c1)c1ccc(C#N)cc1 ZINC001156433811 1047713369 /nfs/dbraw/zinc/71/33/69/1047713369.db2.gz YHVDAQQXOSKDJE-UHFFFAOYSA-N 1 0 313.832 4.367 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cncnc1)c1ccc(C(F)(F)F)cc1 ZINC000345017290 1047718115 /nfs/dbraw/zinc/71/81/15/1047718115.db2.gz KQEPQXUUEYFBEK-INIZCTEOSA-N 1 0 321.346 4.293 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC1 ZINC000538952803 1047720356 /nfs/dbraw/zinc/72/03/56/1047720356.db2.gz FJNAOOFDTWTJCR-UHFFFAOYSA-N 1 0 306.409 4.089 20 30 DIEDRO C=CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC1 ZINC000538953200 1047720851 /nfs/dbraw/zinc/72/08/51/1047720851.db2.gz CGPZLVZDMWBPAE-UHFFFAOYSA-N 1 0 306.409 4.089 20 30 DIEDRO N#Cc1ccc(C2CCN(c3cc(C4CC4)ccn3)CC2)cc1 ZINC001156765547 1047721961 /nfs/dbraw/zinc/72/19/61/1047721961.db2.gz NUDNFZNSHACERN-UHFFFAOYSA-N 1 0 303.409 4.215 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC001156837435 1047723655 /nfs/dbraw/zinc/72/36/55/1047723655.db2.gz UKPXUTHRFUDJHH-IRXDYDNUSA-N 1 0 310.526 4.220 20 30 DIEDRO COc1cc2ccnc(N[C@@H](C)c3cccc(C#N)c3)c2cc1F ZINC001156876089 1047726121 /nfs/dbraw/zinc/72/61/21/1047726121.db2.gz HWPVQTCQXNXNHC-LBPRGKRZSA-N 1 0 321.355 4.427 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000539225797 1047743069 /nfs/dbraw/zinc/74/30/69/1047743069.db2.gz FUZOAVPNCBAGAH-MRXNPFEDSA-N 1 0 309.413 4.005 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971432 1047765036 /nfs/dbraw/zinc/76/50/36/1047765036.db2.gz YDJFJCAUYSKYKL-HKUYNNGSSA-N 1 0 316.489 4.156 20 30 DIEDRO CC(C)c1ccc(C#N)c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158265615 1047772268 /nfs/dbraw/zinc/77/22/68/1047772268.db2.gz IGOJGBJPZZNRGS-DNVCBOLYSA-N 1 0 314.477 4.032 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001158530205 1047788007 /nfs/dbraw/zinc/78/80/07/1047788007.db2.gz XUZDYZPWTBANMC-ICSRJNTNSA-N 1 0 322.537 4.317 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000552757111 1047792808 /nfs/dbraw/zinc/79/28/08/1047792808.db2.gz XCOGXQBYGURNAF-LSDHHAIUSA-N 1 0 300.446 4.357 20 30 DIEDRO CC(C)(C)c1ccc(Nc2sc3c(c2C#N)CC[NH2+]C3)cc1 ZINC001159153475 1047816636 /nfs/dbraw/zinc/81/66/36/1047816636.db2.gz ATYQRHWXMYANFB-UHFFFAOYSA-N 1 0 311.454 4.307 20 30 DIEDRO Cc1cc(Nc2sc3c(c2C#N)CC[NH2+]C3)cc(C)c1Cl ZINC001159160143 1047817070 /nfs/dbraw/zinc/81/70/70/1047817070.db2.gz YSOLKUCWIVDUQH-UHFFFAOYSA-N 1 0 317.845 4.279 20 30 DIEDRO N#Cc1c(Nc2cc(Cl)cc(Cl)c2)sc2c1CC[NH2+]C2 ZINC001159159684 1047817140 /nfs/dbraw/zinc/81/71/40/1047817140.db2.gz OAFVTXISIQWNNA-UHFFFAOYSA-N 1 0 324.236 4.316 20 30 DIEDRO CC(C)(S)CNc1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001159267819 1047825306 /nfs/dbraw/zinc/82/53/06/1047825306.db2.gz HPVLQSGMQLYJDN-UHFFFAOYSA-N 1 0 311.454 4.205 20 30 DIEDRO CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC(C)(C)C#N)cc1OC ZINC000924714706 1047832111 /nfs/dbraw/zinc/83/21/11/1047832111.db2.gz CTAIMAUKKWTALV-LBPRGKRZSA-N 1 0 324.852 4.165 20 30 DIEDRO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(C#N)c(F)c2)C1 ZINC001159390522 1047838856 /nfs/dbraw/zinc/83/88/56/1047838856.db2.gz NHNINAVEKQZLLI-QEJZJMRPSA-N 1 0 324.403 4.067 20 30 DIEDRO C[C@H]1C[C@@H](c2ccncc2Nc2ccc(F)cc2C#N)C[C@@H]([NH3+])C1 ZINC001159391480 1047839980 /nfs/dbraw/zinc/83/99/80/1047839980.db2.gz RHHNVHNZKDNNNT-ZENOOKHLSA-N 1 0 324.403 4.067 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(F)c(C#N)c2)C1 ZINC001159391679 1047840054 /nfs/dbraw/zinc/84/00/54/1047840054.db2.gz SRDJMXNPMFJMAO-KCQAQPDRSA-N 1 0 324.403 4.067 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccccc2nc1OC ZINC001182845049 1047847816 /nfs/dbraw/zinc/84/78/16/1047847816.db2.gz REZGJRZOYDSEOJ-QAPCUYQASA-N 1 0 310.441 4.468 20 30 DIEDRO CC(C)([NH2+]CCc1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC001182872101 1047854074 /nfs/dbraw/zinc/85/40/74/1047854074.db2.gz AUMRCVKJMDODHQ-UHFFFAOYSA-N 1 0 316.807 4.418 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001182890612 1047858421 /nfs/dbraw/zinc/85/84/21/1047858421.db2.gz FVFVEOHWDNKYGY-CVEARBPZSA-N 1 0 322.493 4.253 20 30 DIEDRO Cc1c[nH+]ccc1Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001174538488 1047864532 /nfs/dbraw/zinc/86/45/32/1047864532.db2.gz HBORSDVKZGMSCC-UHFFFAOYSA-N 1 0 301.349 4.220 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H]1CCO[C@@H](CC)C1)c1ccc(F)c(F)c1 ZINC000479404805 1047877957 /nfs/dbraw/zinc/87/79/57/1047877957.db2.gz BCFOZOKSVUUXLS-YEWWUXTCSA-N 1 0 309.400 4.377 20 30 DIEDRO N#CC1(c2cccc(Nc3ccc(C4CC[NH2+]CC4)cc3)c2)CC1 ZINC001159598493 1047878333 /nfs/dbraw/zinc/87/83/33/1047878333.db2.gz PGLPAYXREFIZTQ-UHFFFAOYSA-N 1 0 317.436 4.452 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC001183046606 1047878773 /nfs/dbraw/zinc/87/87/73/1047878773.db2.gz XUBRFLPHFGDRBR-CABCVRRESA-N 1 0 305.462 4.388 20 30 DIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cccc(-c2ccccc2C)c1 ZINC001183075997 1047882934 /nfs/dbraw/zinc/88/29/34/1047882934.db2.gz MHIACJAKQAJTFB-UHFFFAOYSA-N 1 0 320.436 4.253 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)c(F)cc2Br)C1 ZINC001183065194 1047886871 /nfs/dbraw/zinc/88/68/71/1047886871.db2.gz HZBKFKVDVPLNSS-GFCCVEGCSA-N 1 0 312.226 4.295 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(CCc3ccccc3)CC2)s1 ZINC001197837358 1047887310 /nfs/dbraw/zinc/88/73/10/1047887310.db2.gz SFXYCCGWGPUDNX-UHFFFAOYSA-N 1 0 310.466 4.465 20 30 DIEDRO C[Si](C)(C)C#Cc1ccc(Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001159637826 1047891566 /nfs/dbraw/zinc/89/15/66/1047891566.db2.gz ULFTVWLZRXYSQZ-UHFFFAOYSA-N 1 0 306.485 4.262 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1 ZINC001204366793 1047892396 /nfs/dbraw/zinc/89/23/96/1047892396.db2.gz SKSOKCMIEQYQKB-FQEVSTJZSA-N 1 0 317.473 4.401 20 30 DIEDRO C=CCC1([NH2+]Cc2nc3cc(Cl)ccc3n2C)CCCC1 ZINC001174593308 1047897905 /nfs/dbraw/zinc/89/79/05/1047897905.db2.gz PMZLHNBDNUEFOW-UHFFFAOYSA-N 1 0 303.837 4.205 20 30 DIEDRO C=CCC1([NH2+]Cc2cnc(N(C)C)c3ccccc23)CCCC1 ZINC001174593623 1047898499 /nfs/dbraw/zinc/89/84/99/1047898499.db2.gz WOUVDPBAQHALKV-UHFFFAOYSA-N 1 0 309.457 4.279 20 30 DIEDRO CC[C@H](C)C[C@H](CC)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001183197159 1047904326 /nfs/dbraw/zinc/90/43/26/1047904326.db2.gz OFKRFKBGZFUFSG-WMZOPIPTSA-N 1 0 313.489 4.331 20 30 DIEDRO Cc1cc2cc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)ccc2o1 ZINC001159712216 1047906699 /nfs/dbraw/zinc/90/66/99/1047906699.db2.gz IQVFRTNEECXBAW-UHFFFAOYSA-N 1 0 303.365 4.043 20 30 DIEDRO CC(C)c1cc(F)ccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159733753 1047912535 /nfs/dbraw/zinc/91/25/35/1047912535.db2.gz WMOKWFGWGQRELT-UHFFFAOYSA-N 1 0 309.388 4.251 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000774618228 1047917207 /nfs/dbraw/zinc/91/72/07/1047917207.db2.gz LVVNEFZQRFYVDX-DNVCBOLYSA-N 1 0 305.437 4.316 20 30 DIEDRO CC(C)([NH3+])c1ccc(Nc2c(F)cc(C#N)cc2Cl)cc1 ZINC001159775312 1047920403 /nfs/dbraw/zinc/92/04/03/1047920403.db2.gz HUGIJEULOBVSKR-UHFFFAOYSA-N 1 0 303.768 4.288 20 30 DIEDRO C#CCC1([NH2+]Cc2ncc(-c3ccc(OC)cc3)o2)CCCCC1 ZINC001198086187 1047923146 /nfs/dbraw/zinc/92/31/46/1047923146.db2.gz YSFVAKNMMSHOQS-UHFFFAOYSA-N 1 0 324.424 4.166 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC001198174484 1047931997 /nfs/dbraw/zinc/93/19/97/1047931997.db2.gz SGHZNKPPRGMPLS-KRWDZBQOSA-N 1 0 309.523 4.261 20 30 DIEDRO CC1(C)CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1c1ccccc1 ZINC001198201959 1047933199 /nfs/dbraw/zinc/93/31/99/1047933199.db2.gz HNGIFCDVFWFROO-INIZCTEOSA-N 1 0 311.454 4.030 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001198185520 1047936241 /nfs/dbraw/zinc/93/62/41/1047936241.db2.gz QLBDELJJMCKFBM-QFBILLFUSA-N 1 0 322.493 4.112 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC001198269613 1047943233 /nfs/dbraw/zinc/94/32/33/1047943233.db2.gz BFIKZIHOLPWDQD-BIGNBACZSA-N 1 0 302.421 4.279 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC001198406273 1047954405 /nfs/dbraw/zinc/95/44/05/1047954405.db2.gz HVNNZORZGUEBEI-AWEZNQCLSA-N 1 0 306.837 4.099 20 30 DIEDRO CCOc1ccc(CC[N@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC001198527109 1047968250 /nfs/dbraw/zinc/96/82/50/1047968250.db2.gz XPWQOPACPGOUKE-UHFFFAOYSA-N 1 0 314.473 4.424 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001174781228 1047971443 /nfs/dbraw/zinc/97/14/43/1047971443.db2.gz VAQRQUIPKXJZAJ-IYBDPMFKSA-N 1 0 305.462 4.072 20 30 DIEDRO N#Cc1ccc(C=CNc2ccccc2C2=CC[NH2+]CC2)cc1 ZINC001160022778 1047971714 /nfs/dbraw/zinc/97/17/14/1047971714.db2.gz AQKLHGNIRHHEOX-NTEUORMPSA-N 1 0 301.393 4.018 20 30 DIEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000553992991 1047980129 /nfs/dbraw/zinc/98/01/29/1047980129.db2.gz WKVHBTPYHXGQKJ-IAGOWNOFSA-N 1 0 306.494 4.234 20 30 DIEDRO C=CCC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001174819323 1047982767 /nfs/dbraw/zinc/98/27/67/1047982767.db2.gz ZDGBUSCZNNQFKW-CQSZACIVSA-N 1 0 312.276 4.192 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1cccc2c1OCCO2 ZINC001183958141 1047986141 /nfs/dbraw/zinc/98/61/41/1047986141.db2.gz GJWNFWZSVORPQU-MRXNPFEDSA-N 1 0 303.446 4.115 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(OCC2CC2)cc1 ZINC001184035546 1047993720 /nfs/dbraw/zinc/99/37/20/1047993720.db2.gz PUOJFUAJYBHSOS-UHFFFAOYSA-N 1 0 312.438 4.041 20 30 DIEDRO C=CCCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000774714128 1047997533 /nfs/dbraw/zinc/99/75/33/1047997533.db2.gz PWEFWEQMWQWBIW-YESZJQIVSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001184188108 1048004390 /nfs/dbraw/zinc/00/43/90/1048004390.db2.gz KAIFFGYKSKAYTA-IBGZPJMESA-N 1 0 324.509 4.312 20 30 DIEDRO Cc1ccc(C#N)c(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001160264476 1048013606 /nfs/dbraw/zinc/01/36/06/1048013606.db2.gz YCGRKZXFKOIEID-KRWDZBQOSA-N 1 0 305.425 4.152 20 30 DIEDRO Cc1ccc(C#N)cc1Nc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC001160265025 1048015284 /nfs/dbraw/zinc/01/52/84/1048015284.db2.gz HMFXFSPKTFZRMO-GOSISDBHSA-N 1 0 305.425 4.152 20 30 DIEDRO CCN(CCC[NH2+]Cc1c(C)cc(C#N)cc1C)c1ccccc1 ZINC001199038625 1048027695 /nfs/dbraw/zinc/02/76/95/1048027695.db2.gz UEPNCUOTEUGMJR-UHFFFAOYSA-N 1 0 321.468 4.181 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184326323 1048030658 /nfs/dbraw/zinc/03/06/58/1048030658.db2.gz CYZPJDIYAZYICL-BBRMVZONSA-N 1 0 310.869 4.205 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001184397021 1048034455 /nfs/dbraw/zinc/03/44/55/1048034455.db2.gz ASEURMCJCFVKRW-XYLATYTLSA-N 1 0 322.493 4.157 20 30 DIEDRO C=CCCC[N@@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001174976331 1048036788 /nfs/dbraw/zinc/03/67/88/1048036788.db2.gz YTEVTWVDXUHOLP-UHFFFAOYSA-N 1 0 309.457 4.223 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC001184426683 1048039817 /nfs/dbraw/zinc/03/98/17/1048039817.db2.gz KOJRGPSFXJTXCQ-PMACEKPBSA-N 1 0 320.436 4.351 20 30 DIEDRO C=C(CC)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000773431367 1048040015 /nfs/dbraw/zinc/04/00/15/1048040015.db2.gz VMXLOWUCBYLLID-QGZVFWFLSA-N 1 0 301.455 4.250 20 30 DIEDRO Cc1cccc(C2CC2)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001160400532 1048046065 /nfs/dbraw/zinc/04/60/65/1048046065.db2.gz SCAMGGXLMBNXBO-UHFFFAOYSA-N 1 0 303.409 4.175 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001199286810 1048051816 /nfs/dbraw/zinc/05/18/16/1048051816.db2.gz VADCNIXWMFJHPV-APWZRJJASA-N 1 0 314.473 4.173 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001174983564 1048080304 /nfs/dbraw/zinc/08/03/04/1048080304.db2.gz JBRLJMFNHRKTON-SJLPKXTDSA-N 1 0 311.473 4.261 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC001174984445 1048081480 /nfs/dbraw/zinc/08/14/80/1048081480.db2.gz OOAFCZGRNMFPFE-UHFFFAOYSA-N 1 0 311.454 4.005 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNc1nc2ccccc2s1)C(C)C ZINC001184775237 1048092124 /nfs/dbraw/zinc/09/21/24/1048092124.db2.gz IYCQEKUCZPIVDU-MRXNPFEDSA-N 1 0 315.486 4.407 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1CNc1nccc2cc(F)c(Cl)cc21 ZINC001160957778 1048099203 /nfs/dbraw/zinc/09/92/03/1048099203.db2.gz SYCMGBDSBSNLFE-ZDUSSCGKSA-N 1 0 319.811 4.090 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1CNc1nc(Cl)cc2ccc(F)cc21 ZINC001160952973 1048100151 /nfs/dbraw/zinc/10/01/51/1048100151.db2.gz LECCETQZPPCIHR-AWEZNQCLSA-N 1 0 319.811 4.090 20 30 DIEDRO Cc1cccc(C[C@]2(C)CCC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001175034661 1048100196 /nfs/dbraw/zinc/10/01/96/1048100196.db2.gz BFRMBGBPBFOANH-NRFANRHFSA-N 1 0 304.437 4.464 20 30 DIEDRO CCC(CC)[NH+]1CCC(Nc2nc(C(C)C)ccc2C#N)CC1 ZINC001161094432 1048109087 /nfs/dbraw/zinc/10/90/87/1048109087.db2.gz CQAQEXVLGGLSSJ-UHFFFAOYSA-N 1 0 314.477 4.142 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC001199907826 1048114906 /nfs/dbraw/zinc/11/49/06/1048114906.db2.gz ZMUSVEHFFHZTCM-YSIASYRMSA-N 1 0 313.485 4.497 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000105492682 1048139461 /nfs/dbraw/zinc/13/94/61/1048139461.db2.gz FMXRTXFIYXUGJF-UHFFFAOYSA-N 1 0 319.452 4.072 20 30 DIEDRO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000105497215 1048139700 /nfs/dbraw/zinc/13/97/00/1048139700.db2.gz UORZQRACVGZMFQ-NRFANRHFSA-N 1 0 319.452 4.122 20 30 DIEDRO CCC1([NH+]2CCCC2)CCN(CCC2(C#N)CCCCC2)CC1 ZINC001175157338 1048146953 /nfs/dbraw/zinc/14/69/53/1048146953.db2.gz WLBNGGZNSSVDAN-UHFFFAOYSA-N 1 0 317.521 4.191 20 30 DIEDRO CC[NH+](CC)Cc1cc(N[C@@H](C#N)c2ccccc2)ccc1OC ZINC001161724581 1048162075 /nfs/dbraw/zinc/16/20/75/1048162075.db2.gz BJASLBPWNFLFNP-IBGZPJMESA-N 1 0 323.440 4.214 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC001175148563 1048169813 /nfs/dbraw/zinc/16/98/13/1048169813.db2.gz JRQLIJVUTOGGMC-LSDHHAIUSA-N 1 0 309.416 4.230 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCOCC)C1 ZINC001201035470 1048183191 /nfs/dbraw/zinc/18/31/91/1048183191.db2.gz GROJEBGJDXBPHJ-MJGOQNOKSA-N 1 0 317.473 4.245 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000480667943 1048210527 /nfs/dbraw/zinc/21/05/27/1048210527.db2.gz SANWPAJLRNOOGF-UGSOOPFHSA-N 1 0 309.400 4.377 20 30 DIEDRO CSc1cccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001175283793 1048230593 /nfs/dbraw/zinc/23/05/93/1048230593.db2.gz PHEYSJKENWHQJW-UHFFFAOYSA-N 1 0 315.467 4.073 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2nc(CC)co2)cc1 ZINC001162144103 1048232542 /nfs/dbraw/zinc/23/25/42/1048232542.db2.gz ZBFHTGOBNUJSHI-SFHVURJKSA-N 1 0 311.429 4.172 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@@H](OCC)C1(CC)CC)c1ccncc1 ZINC000776154637 1048236217 /nfs/dbraw/zinc/23/62/17/1048236217.db2.gz BMHHOKUFOUQPBK-RCCFBDPRSA-N 1 0 302.462 4.272 20 30 DIEDRO CCOCC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001175300041 1048238385 /nfs/dbraw/zinc/23/83/85/1048238385.db2.gz BJEMYRMEGNUJDE-OAQYLSRUSA-N 1 0 320.436 4.084 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000776157424 1048242225 /nfs/dbraw/zinc/24/22/25/1048242225.db2.gz BLXLFOBQIRESPP-CVEARBPZSA-N 1 0 300.446 4.456 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000776157426 1048242268 /nfs/dbraw/zinc/24/22/68/1048242268.db2.gz BLXLFOBQIRESPP-HZPDHXFCSA-N 1 0 300.446 4.456 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000554982559 1048247343 /nfs/dbraw/zinc/24/73/43/1048247343.db2.gz PDHSONLQIZKZOU-SVIJTADQSA-N 1 0 324.399 4.050 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000554982558 1048247823 /nfs/dbraw/zinc/24/78/23/1048247823.db2.gz PDHSONLQIZKZOU-MRFFXTKBSA-N 1 0 324.399 4.050 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)o1 ZINC000776162181 1048248664 /nfs/dbraw/zinc/24/86/64/1048248664.db2.gz CRRLODNASHIGCG-ZBFHGGJFSA-N 1 0 312.413 4.162 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000776165808 1048261337 /nfs/dbraw/zinc/26/13/37/1048261337.db2.gz WYFGOOFFYKNZJJ-DNVCBOLYSA-N 1 0 319.408 4.090 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000776165305 1048261727 /nfs/dbraw/zinc/26/17/27/1048261727.db2.gz ZUFOEWFSZNSNCO-FOIQADDNSA-N 1 0 322.452 4.240 20 30 DIEDRO C=CCOc1cc(C)nc(NCC[PH+](C(C)C)C(C)C)n1 ZINC001162361671 1048267875 /nfs/dbraw/zinc/26/78/75/1048267875.db2.gz BMXSKSPMPYVDLO-UHFFFAOYSA-N 1 0 309.394 4.060 20 30 DIEDRO CC(C)[PH+](CCNc1ccc2c(C#N)c[nH]c2n1)C(C)C ZINC001162362297 1048269038 /nfs/dbraw/zinc/26/90/38/1048269038.db2.gz ZHZRWAMTYJBBLD-UHFFFAOYSA-N 1 0 302.362 4.145 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1(CC)CCCC1 ZINC001201441691 1048274369 /nfs/dbraw/zinc/27/43/69/1048274369.db2.gz DRGAZVJSNPOBGM-UHFFFAOYSA-N 1 0 305.849 4.412 20 30 DIEDRO N#Cc1ccccc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201474776 1048293650 /nfs/dbraw/zinc/29/36/50/1048293650.db2.gz KZLNDTQGZKTRCD-UXHICEINSA-N 1 0 315.420 4.291 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@](C)(C#N)CC(C)C)nc1 ZINC001162520294 1048295600 /nfs/dbraw/zinc/29/56/00/1048295600.db2.gz WMWGNZYNOJAYLP-IEBWSBKVSA-N 1 0 314.477 4.369 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1Cl ZINC000555233974 1048302792 /nfs/dbraw/zinc/30/27/92/1048302792.db2.gz HJGVHTSLDDBTNY-XGUBFFRZSA-N 1 0 320.864 4.456 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1 ZINC001201522304 1048309385 /nfs/dbraw/zinc/30/93/85/1048309385.db2.gz NJHCIXDIOPQLQY-KRWDZBQOSA-N 1 0 319.326 4.281 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)o1 ZINC001175444797 1048310452 /nfs/dbraw/zinc/31/04/52/1048310452.db2.gz NXULHNLOOJPUIH-UHFFFAOYSA-N 1 0 314.816 4.259 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000775027400 1048314038 /nfs/dbraw/zinc/31/40/38/1048314038.db2.gz DPXYOVPRBZTFME-APWZRJJASA-N 1 0 308.425 4.261 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC001201557133 1048315909 /nfs/dbraw/zinc/31/59/09/1048315909.db2.gz FYSKMEHZDALRDB-HXUWFJFHSA-N 1 0 308.425 4.442 20 30 DIEDRO CCc1ccc([C@H](CNc2ncccc2C#N)[NH+](CC)CC)cc1 ZINC001186594882 1048326013 /nfs/dbraw/zinc/32/60/13/1048326013.db2.gz ZDXTZVSDUMMJGH-IBGZPJMESA-N 1 0 322.456 4.011 20 30 DIEDRO CCCCCCCCCCCC[N@H+]1CCc2nncn2CC1 ZINC001201630713 1048328160 /nfs/dbraw/zinc/32/81/60/1048328160.db2.gz DTHLKIHOWSHOBF-UHFFFAOYSA-N 1 0 306.498 4.057 20 30 DIEDRO CCCCCCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001201631305 1048328384 /nfs/dbraw/zinc/32/83/84/1048328384.db2.gz OWAMGZVRSNTALT-QZTJIDSGSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCCCCCCC[NH+]1CCC(C(=O)NC)CC1 ZINC001201630909 1048328509 /nfs/dbraw/zinc/32/85/09/1048328509.db2.gz HIVVKBYAFSWXNB-UHFFFAOYSA-N 1 0 310.526 4.365 20 30 DIEDRO C[C@H]1C[C@@H](Nc2cc(F)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001162679910 1048332635 /nfs/dbraw/zinc/33/26/35/1048332635.db2.gz ATNSRZLAHCLOIY-KXBFYZLASA-N 1 0 323.415 4.162 20 30 DIEDRO Cc1ccc(C#N)c(NC2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001175504611 1048338596 /nfs/dbraw/zinc/33/85/96/1048338596.db2.gz COHHCIZKTVBPFO-UHFFFAOYSA-N 1 0 303.409 4.068 20 30 DIEDRO N#Cc1ccccc1O[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC001201673780 1048341094 /nfs/dbraw/zinc/34/10/94/1048341094.db2.gz NHJMVOUBGNOCCQ-FQEVSTJZSA-N 1 0 320.436 4.034 20 30 DIEDRO C=C(C)CN(C)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000481249589 1048341085 /nfs/dbraw/zinc/34/10/85/1048341085.db2.gz BCKWDQJSGWKMDX-LJQANCHMSA-N 1 0 308.425 4.183 20 30 DIEDRO C=C(C)CN(C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000481249587 1048341803 /nfs/dbraw/zinc/34/18/03/1048341803.db2.gz BCKWDQJSGWKMDX-IBGZPJMESA-N 1 0 308.425 4.183 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(OCc2cccnc2)cc1 ZINC000555420869 1048342446 /nfs/dbraw/zinc/34/24/46/1048342446.db2.gz PRCAAXMSJMOFOF-BXWFABGCSA-N 1 0 321.424 4.003 20 30 DIEDRO N#CCc1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)ccc1F ZINC001175506700 1048346551 /nfs/dbraw/zinc/34/65/51/1048346551.db2.gz DNEHWKLEXGRTLV-UHFFFAOYSA-N 1 0 321.399 4.093 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(-n2c3ccccc3nc2[C@H](C)[NH3+])cc1 ZINC001162777275 1048358392 /nfs/dbraw/zinc/35/83/92/1048358392.db2.gz OTQHULBJEPQLRA-WMLDXEAASA-N 1 0 318.424 4.308 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1cccc(C#N)c1 ZINC000600128399 1048370666 /nfs/dbraw/zinc/37/06/66/1048370666.db2.gz APGVNYMHDQDQDJ-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000600158956 1048375375 /nfs/dbraw/zinc/37/53/75/1048375375.db2.gz ONIAETQHAYNIRD-ZWKOTPCHSA-N 1 0 311.473 4.155 20 30 DIEDRO CCCCCCCC[N@H+]1Cc2c(cnn2CC)[C@@H](COCC)C1 ZINC001201813217 1048376863 /nfs/dbraw/zinc/37/68/63/1048376863.db2.gz CJSWRSGPMMDCSI-QGZVFWFLSA-N 1 0 321.509 4.199 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2nc3ccccc3cc2C#N)c1 ZINC001162899018 1048379962 /nfs/dbraw/zinc/37/99/62/1048379962.db2.gz KRWRWHIZOFXHRA-CYBMUJFWSA-N 1 0 312.376 4.070 20 30 DIEDRO CCCCCCCCC[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001201852977 1048382169 /nfs/dbraw/zinc/38/21/69/1048382169.db2.gz VQHKUCBQDGBBDY-UHFFFAOYSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@]2(CCCCN2C(C)=O)C1 ZINC001201826451 1048382872 /nfs/dbraw/zinc/38/28/72/1048382872.db2.gz WQOKZUHVZHXPGA-IBGZPJMESA-N 1 0 308.510 4.214 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001201826343 1048383944 /nfs/dbraw/zinc/38/39/44/1048383944.db2.gz SMMDGZQPXRAMGW-RBUKOAKNSA-N 1 0 309.494 4.007 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001201826017 1048384177 /nfs/dbraw/zinc/38/41/77/1048384177.db2.gz KUPYMKFSCHHRJP-MRXNPFEDSA-N 1 0 312.498 4.194 20 30 DIEDRO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)C1(F)F ZINC000600184204 1048385437 /nfs/dbraw/zinc/38/54/37/1048385437.db2.gz OCXHOVSBEHJJSJ-GASCZTMLSA-N 1 0 322.399 4.092 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001201839280 1048385747 /nfs/dbraw/zinc/38/57/47/1048385747.db2.gz KCOQDEFAGFKWBG-OALUTQOASA-N 1 0 320.521 4.212 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1 ZINC001175638055 1048385868 /nfs/dbraw/zinc/38/58/68/1048385868.db2.gz GLIVXFZMWYWKNU-RTWAWAEBSA-N 1 0 318.420 4.026 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc(C#N)cc3[nH]ccc32)c1 ZINC001162909145 1048387220 /nfs/dbraw/zinc/38/72/20/1048387220.db2.gz VBCNXCRPYGBLCR-LBPRGKRZSA-N 1 0 300.365 4.003 20 30 DIEDRO CCCCCCCC[NH+]1CCC(NC(=O)N2CCCCC2)CC1 ZINC001201839359 1048388124 /nfs/dbraw/zinc/38/81/24/1048388124.db2.gz ABYSQISFSGHEJC-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC001201846803 1048389528 /nfs/dbraw/zinc/38/95/28/1048389528.db2.gz LRUNXJCEDPHUGU-UHFFFAOYSA-N 1 0 310.526 4.364 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000600213966 1048389655 /nfs/dbraw/zinc/38/96/55/1048389655.db2.gz JIZWJEIIWOMUKX-SFHVURJKSA-N 1 0 320.436 4.183 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001201846816 1048389868 /nfs/dbraw/zinc/38/98/68/1048389868.db2.gz MGRCEOPKIRWNFZ-FQEVSTJZSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001201846817 1048390293 /nfs/dbraw/zinc/39/02/93/1048390293.db2.gz MGRCEOPKIRWNFZ-HXUWFJFHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001201874757 1048393655 /nfs/dbraw/zinc/39/36/55/1048393655.db2.gz FIWYEZKHPXWKCC-IYBDPMFKSA-N 1 0 303.437 4.341 20 30 DIEDRO N#Cc1cc(F)cc(Nc2ccccc2C[NH+]2CCCCC2)c1 ZINC001175685356 1048417478 /nfs/dbraw/zinc/41/74/78/1048417478.db2.gz QPKDSFHEFSOOPE-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1 ZINC001163216121 1048437941 /nfs/dbraw/zinc/43/79/41/1048437941.db2.gz ZBJZXIPNOPLVKT-HBMCJLEFSA-N 1 0 319.452 4.465 20 30 DIEDRO N#Cc1ccc(-c2ccc(N[C@@H]3C[NH2+]Cc4ccsc43)cc2)o1 ZINC001163230257 1048441285 /nfs/dbraw/zinc/44/12/85/1048441285.db2.gz UKDMXAZVNCMABQ-MRXNPFEDSA-N 1 0 321.405 4.136 20 30 DIEDRO CC1(C)C(C[NH2+]Cc2cccc(OCCCC#N)c2)C1(C)C ZINC001202119517 1048455063 /nfs/dbraw/zinc/45/50/63/1048455063.db2.gz QTKHHIBYJSROKR-UHFFFAOYSA-N 1 0 300.446 4.141 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC001202142041 1048461600 /nfs/dbraw/zinc/46/16/00/1048461600.db2.gz DWBBFETVLIOISG-UHFFFAOYSA-N 1 0 300.446 4.283 20 30 DIEDRO Cc1c(Cl)cccc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC001202142029 1048462093 /nfs/dbraw/zinc/46/20/93/1048462093.db2.gz DGWFIOANLIPODX-UHFFFAOYSA-N 1 0 305.208 4.463 20 30 DIEDRO C=C(C)CNc1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001163381859 1048464185 /nfs/dbraw/zinc/46/41/85/1048464185.db2.gz ICDNXAWLSVFZCI-IBGZPJMESA-N 1 0 309.457 4.153 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001202111505 1048465276 /nfs/dbraw/zinc/46/52/76/1048465276.db2.gz VFNWGALLCXUHKI-UHFFFAOYSA-N 1 0 300.377 4.459 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cncc2ccccc21)c1ccccc1 ZINC000776253950 1048467142 /nfs/dbraw/zinc/46/71/42/1048467142.db2.gz YESHKWXLASPMCA-HXUWFJFHSA-N 1 0 301.393 4.369 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cncc2ccccc21)c1ccccc1 ZINC000776253948 1048467278 /nfs/dbraw/zinc/46/72/78/1048467278.db2.gz YESHKWXLASPMCA-FQEVSTJZSA-N 1 0 301.393 4.369 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)sc1Cl ZINC001202185158 1048473168 /nfs/dbraw/zinc/47/31/68/1048473168.db2.gz YXMRSOBJQJMYGT-CABZTGNLSA-N 1 0 306.258 4.126 20 30 DIEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1nc(C)cc2ccccc21 ZINC001163472319 1048474299 /nfs/dbraw/zinc/47/42/99/1048474299.db2.gz YHMXFYOWFZWVLE-UHFFFAOYSA-N 1 0 318.424 4.032 20 30 DIEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1cc(C)c2ccccc2n1 ZINC001163471776 1048474610 /nfs/dbraw/zinc/47/46/10/1048474610.db2.gz GUARNLVNJRGFNB-UHFFFAOYSA-N 1 0 318.424 4.032 20 30 DIEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001175870997 1048487402 /nfs/dbraw/zinc/48/74/02/1048487402.db2.gz HOMCWXUNRISANV-DLBZAZTESA-N 1 0 307.865 4.235 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001175871001 1048487527 /nfs/dbraw/zinc/48/75/27/1048487527.db2.gz HOMCWXUNRISANV-IAGOWNOFSA-N 1 0 307.865 4.235 20 30 DIEDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000555975380 1048495780 /nfs/dbraw/zinc/49/57/80/1048495780.db2.gz NMGREJZHCJFHII-MRXNPFEDSA-N 1 0 322.493 4.150 20 30 DIEDRO [NH2+]=C(Nc1ccc2c(c1)C=CC2)c1ccc(C(F)(F)F)cc1 ZINC001163684046 1048503414 /nfs/dbraw/zinc/50/34/14/1048503414.db2.gz NSLIICGZPODTJN-UHFFFAOYSA-N 1 0 302.299 4.312 20 30 DIEDRO [NH2+]=C(Nc1cnc2ccccc2c1)c1ccc(C(F)(F)F)cc1 ZINC001163680934 1048503497 /nfs/dbraw/zinc/50/34/97/1048503497.db2.gz ZFCDRYQKZNQNPN-UHFFFAOYSA-N 1 0 315.298 4.291 20 30 DIEDRO [NH2+]=C(Nc1ccc(C2CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC001163685398 1048503610 /nfs/dbraw/zinc/50/36/10/1048503610.db2.gz LWWJAGWGRZWGCA-UHFFFAOYSA-N 1 0 305.303 4.015 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@@H](CCC(C)C)C2)ccc1C#N ZINC001202298549 1048516495 /nfs/dbraw/zinc/51/64/95/1048516495.db2.gz CGERRBGJEIWVKZ-QAPCUYQASA-N 1 0 300.446 4.261 20 30 DIEDRO Cc1c(C)n(-c2ccc3c(C#N)c[nH]c3c2)c2ccc(C[NH3+])cc12 ZINC001163761644 1048520923 /nfs/dbraw/zinc/52/09/23/1048520923.db2.gz RPCXMCXATMCNJJ-UHFFFAOYSA-N 1 0 314.392 4.059 20 30 DIEDRO CCCc1cccc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000481980952 1048539431 /nfs/dbraw/zinc/53/94/31/1048539431.db2.gz AVXTUUWFPHNBRE-OAQYLSRUSA-N 1 0 320.436 4.084 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC001176035778 1048540474 /nfs/dbraw/zinc/54/04/74/1048540474.db2.gz CJAARSAHEJHCSG-JXFKEZNVSA-N 1 0 306.409 4.020 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(OC)c2C)CCCCC1 ZINC001202408732 1048541588 /nfs/dbraw/zinc/54/15/88/1048541588.db2.gz RFCRDZVGKNXOND-UHFFFAOYSA-N 1 0 303.446 4.381 20 30 DIEDRO Cc1ccc2ncc(C[NH2+][C@H](C)c3cccc(C#N)c3)cc2c1 ZINC001176051476 1048553834 /nfs/dbraw/zinc/55/38/34/1048553834.db2.gz FLRQZFDQLOZXLF-OAHLLOKOSA-N 1 0 301.393 4.266 20 30 DIEDRO N#CCCOCCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000338911850 1048564595 /nfs/dbraw/zinc/56/45/95/1048564595.db2.gz BGLNRIOMVZJLAV-HNNXBMFYSA-N 1 0 313.228 4.061 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC001202474498 1048585444 /nfs/dbraw/zinc/58/54/44/1048585444.db2.gz DIRPQXDNVRFVMN-UHFFFAOYSA-N 1 0 305.421 4.061 20 30 DIEDRO C=C(C)CN(CC)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001165140860 1048661404 /nfs/dbraw/zinc/66/14/04/1048661404.db2.gz CQWKIQANEXLUMP-UHFFFAOYSA-N 1 0 321.468 4.042 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCO2 ZINC000850451432 1048662640 /nfs/dbraw/zinc/66/26/40/1048662640.db2.gz ADHIZQIUNIISOW-HNNXBMFYSA-N 1 0 318.420 4.223 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000775319086 1048662692 /nfs/dbraw/zinc/66/26/92/1048662692.db2.gz MRJLMXUNLKZGCF-LJQANCHMSA-N 1 0 316.395 4.438 20 30 DIEDRO C#CC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)C1CCCCC1 ZINC000109357232 1048664361 /nfs/dbraw/zinc/66/43/61/1048664361.db2.gz FLCBTZGTUXYNNJ-UHFFFAOYSA-N 1 0 324.424 4.118 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1F ZINC000850459867 1048665506 /nfs/dbraw/zinc/66/55/06/1048665506.db2.gz IMGVMEBQKUBEGR-UONOGXRCSA-N 1 0 324.399 4.434 20 30 DIEDRO C[N@@H+]1CCC[C@@H](CCNc2cc(CC#N)cc3ccccc32)C1 ZINC001165301076 1048677860 /nfs/dbraw/zinc/67/78/60/1048677860.db2.gz WYOOQYKSAPVCDA-INIZCTEOSA-N 1 0 307.441 4.050 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850524767 1048678881 /nfs/dbraw/zinc/67/88/81/1048678881.db2.gz DGEOOMAHIYUJSD-PWRODBHTSA-N 1 0 318.420 4.094 20 30 DIEDRO C#CC[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CCCc2ccccc21 ZINC001176453383 1048688033 /nfs/dbraw/zinc/68/80/33/1048688033.db2.gz SVOOQABZCIGARD-CRAIPNDOSA-N 1 0 303.396 4.435 20 30 DIEDRO CC(C)(C)Oc1cc[nH+]c(NC(C)(C)c2ccc(C#N)cc2)c1 ZINC001165791988 1048717523 /nfs/dbraw/zinc/71/75/23/1048717523.db2.gz AGIXLOOBSGUOKC-UHFFFAOYSA-N 1 0 309.413 4.478 20 30 DIEDRO CC(C)C[N@H+](Cc1cc(C#N)ccc1Br)C(C)C ZINC001190331982 1048718302 /nfs/dbraw/zinc/71/83/02/1048718302.db2.gz MZEYWBVKSNAJLG-UHFFFAOYSA-N 1 0 309.251 4.187 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000160632193 1048727231 /nfs/dbraw/zinc/72/72/31/1048727231.db2.gz BTVCWGBATGVIHQ-IBGZPJMESA-N 1 0 310.372 4.043 20 30 DIEDRO C=CCCC[N@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000483069130 1048730963 /nfs/dbraw/zinc/73/09/63/1048730963.db2.gz LLWOOMWIENXJLO-UHFFFAOYSA-N 1 0 310.441 4.101 20 30 DIEDRO CCN(C)c1ccccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775384784 1048734591 /nfs/dbraw/zinc/73/45/91/1048734591.db2.gz GLCMJYXOMMDBRB-HXUWFJFHSA-N 1 0 319.452 4.182 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC001190476159 1048740172 /nfs/dbraw/zinc/74/01/72/1048740172.db2.gz PDIMGRRPPGGGJZ-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000775393060 1048748407 /nfs/dbraw/zinc/74/84/07/1048748407.db2.gz KOOTXTULXRVLCH-UXHICEINSA-N 1 0 303.409 4.238 20 30 DIEDRO CCCCCCCCC[N@H+](C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC001190494515 1048751050 /nfs/dbraw/zinc/75/10/50/1048751050.db2.gz ODJIUSMZLSTDII-FGTMMUONSA-N 1 0 308.510 4.116 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000775396265 1048752912 /nfs/dbraw/zinc/75/29/12/1048752912.db2.gz VIBIVTSSNCPXJM-UYAOXDASSA-N 1 0 305.425 4.318 20 30 DIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1cccc(C(C)C)c1)c1ccccc1 ZINC000775397994 1048754304 /nfs/dbraw/zinc/75/43/04/1048754304.db2.gz DCFNBBQDFIBEEE-FQEVSTJZSA-N 1 0 320.436 4.103 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000559186465 1048755290 /nfs/dbraw/zinc/75/52/90/1048755290.db2.gz QAZFUZKSDHWHLF-HZPDHXFCSA-N 1 0 313.363 4.134 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](CCOCCC#N)Cc1ccccc1 ZINC000338933200 1048756399 /nfs/dbraw/zinc/75/63/99/1048756399.db2.gz HLKHJJYAAIVPJZ-GOSISDBHSA-N 1 0 308.425 4.180 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001176690073 1048759912 /nfs/dbraw/zinc/75/99/12/1048759912.db2.gz SCNWNNDKSXENND-INIZCTEOSA-N 1 0 312.498 4.194 20 30 DIEDRO C[N@H+](Cc1ccc(Br)cc1)CC(C)(C)CCC#N ZINC000160805054 1048760096 /nfs/dbraw/zinc/76/00/96/1048760096.db2.gz RYFNVKIOQJDOHW-UHFFFAOYSA-N 1 0 309.251 4.211 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000483269084 1048768429 /nfs/dbraw/zinc/76/84/29/1048768429.db2.gz HMTHUDRLURBDEO-UHFFFAOYSA-N 1 0 322.239 4.226 20 30 DIEDRO CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000483280464 1048769370 /nfs/dbraw/zinc/76/93/70/1048769370.db2.gz LCHCIJOLYZQABV-GOSISDBHSA-N 1 0 311.429 4.169 20 30 DIEDRO CCN(Cc1ccc(-c2cccc(F)c2F)o1)C[C@H](C)C#N ZINC000483285210 1048773105 /nfs/dbraw/zinc/77/31/05/1048773105.db2.gz NGJIFECEIYKSGJ-GFCCVEGCSA-N 1 0 304.340 4.206 20 30 DIEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000775407256 1048780209 /nfs/dbraw/zinc/78/02/09/1048780209.db2.gz CXEOOHNJRPUCSS-NHCUHLMSSA-N 1 0 322.452 4.277 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775409236 1048782964 /nfs/dbraw/zinc/78/29/64/1048782964.db2.gz DTGDQSUMSAGWQD-VLIAUNLRSA-N 1 0 308.400 4.296 20 30 DIEDRO CCC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001176782717 1048787987 /nfs/dbraw/zinc/78/79/87/1048787987.db2.gz MVRDAOWWHRHKTR-CQSZACIVSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC001176797862 1048788701 /nfs/dbraw/zinc/78/87/01/1048788701.db2.gz GHMYMVHPDOYDEX-IAGOWNOFSA-N 1 0 314.473 4.031 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1 ZINC000775413501 1048791951 /nfs/dbraw/zinc/79/19/51/1048791951.db2.gz FAWPGKNICKAYPG-YLFCFFPRSA-N 1 0 318.511 4.001 20 30 DIEDRO C=C(CC)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001190847560 1048794780 /nfs/dbraw/zinc/79/47/80/1048794780.db2.gz PGDHENFPCPOIIO-UHFFFAOYSA-N 1 0 302.245 4.144 20 30 DIEDRO C[C@H]1CC[C@](CO)([NH2+]CCCCC(C)(C)C#N)c2ccccc21 ZINC001176933448 1048802153 /nfs/dbraw/zinc/80/21/53/1048802153.db2.gz XQZFIXYBRWPHSF-OXJNMPFZSA-N 1 0 314.473 4.081 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001176904007 1048808391 /nfs/dbraw/zinc/80/83/91/1048808391.db2.gz MIHYKNWHMNNPPF-MSOLQXFVSA-N 1 0 308.510 4.212 20 30 DIEDRO C=C(C)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc1 ZINC001166889309 1048808246 /nfs/dbraw/zinc/80/82/46/1048808246.db2.gz PYCZXQVDSGUTLU-IBGZPJMESA-N 1 0 307.441 4.364 20 30 DIEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)cc1 ZINC001190985740 1048815274 /nfs/dbraw/zinc/81/52/74/1048815274.db2.gz RKLHEWKTYDSPQR-NRFANRHFSA-N 1 0 307.412 4.193 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000038003370 1048815266 /nfs/dbraw/zinc/81/52/66/1048815266.db2.gz ZMUJIPWOBYYADI-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)C1 ZINC001177117127 1048827551 /nfs/dbraw/zinc/82/75/51/1048827551.db2.gz JDNFBZLOBSOLHU-FGTMMUONSA-N 1 0 302.462 4.141 20 30 DIEDRO C[C@H]1SCC[N@H+](CC2CCC(C#N)CC2)[C@@H]1c1ccccc1 ZINC001191030872 1048827653 /nfs/dbraw/zinc/82/76/53/1048827653.db2.gz SBTQSPXEOCEOHK-JIZBTBOESA-N 1 0 314.498 4.495 20 30 DIEDRO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000852329288 1048836362 /nfs/dbraw/zinc/83/63/62/1048836362.db2.gz XRHKRNWTMGXYJL-FPOVZHCZSA-N 1 0 317.436 4.016 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cc(C#N)c3cc(Cl)ccc3n2)c1 ZINC001167034002 1048836752 /nfs/dbraw/zinc/83/67/52/1048836752.db2.gz ZYPAMADVQQXYSA-UHFFFAOYSA-N 1 0 322.799 4.223 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC001177226649 1048847842 /nfs/dbraw/zinc/84/78/42/1048847842.db2.gz TZJSLBSGHCJQDI-HXUWFJFHSA-N 1 0 300.490 4.092 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(SC(=O)N(C)C)cc1 ZINC000852685398 1048853478 /nfs/dbraw/zinc/85/34/78/1048853478.db2.gz HDLYZTISVAUJTO-IYBDPMFKSA-N 1 0 316.470 4.143 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)oc2cc(CC)ccc12 ZINC000852685886 1048854107 /nfs/dbraw/zinc/85/41/07/1048854107.db2.gz LZSTZZNIQRNMBQ-CALCHBBNSA-N 1 0 309.409 4.038 20 30 DIEDRO C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000903324761 1048858836 /nfs/dbraw/zinc/85/88/36/1048858836.db2.gz QYLXHKNCNZLMCS-RTBURBONSA-N 1 0 307.441 4.095 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)ccc1C#N ZINC000852780147 1048861527 /nfs/dbraw/zinc/86/15/27/1048861527.db2.gz HMWUJCNQUKQFDZ-HNNXBMFYSA-N 1 0 306.409 4.043 20 30 DIEDRO CC1(C)CCC[C@H](C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)O1 ZINC001191155343 1048865900 /nfs/dbraw/zinc/86/59/00/1048865900.db2.gz FSASQYGXHTUUGZ-CEXWTWQISA-N 1 0 312.457 4.106 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2ccc(OCCCC)cc2)cc1 ZINC001177307798 1048871017 /nfs/dbraw/zinc/87/10/17/1048871017.db2.gz DUPFXPHESGPFOK-UHFFFAOYSA-N 1 0 307.437 4.179 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC001203338767 1048872937 /nfs/dbraw/zinc/87/29/37/1048872937.db2.gz JCIBJKIBUXXRKE-UHFFFAOYSA-N 1 0 303.475 4.231 20 30 DIEDRO N#Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1F ZINC000483955635 1048888174 /nfs/dbraw/zinc/88/81/74/1048888174.db2.gz DESUCNWIFYRMDV-HXUWFJFHSA-N 1 0 306.384 4.349 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2cccc(F)c2o1 ZINC000483989322 1048888800 /nfs/dbraw/zinc/88/88/00/1048888800.db2.gz UXTMUMXBMKSMBR-LLVKDONJSA-N 1 0 312.319 4.433 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1F ZINC000483979701 1048889917 /nfs/dbraw/zinc/88/99/17/1048889917.db2.gz MBKIWONTHCRNAA-INIZCTEOSA-N 1 0 314.791 4.340 20 30 DIEDRO CCCCCCC[C@@H](C)C[NH2+]Cc1nc(Br)c[nH]1 ZINC001177428819 1048891892 /nfs/dbraw/zinc/89/18/92/1048891892.db2.gz IXNOHGLRDZTZOY-GFCCVEGCSA-N 1 0 316.287 4.258 20 30 DIEDRO C(=NOCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000853287213 1048895536 /nfs/dbraw/zinc/89/55/36/1048895536.db2.gz SPPZYYOVJAJAEQ-UHFFFAOYSA-N 1 0 308.425 4.101 20 30 DIEDRO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)[C@H](c2ccccc2)CO1 ZINC001191234504 1048906200 /nfs/dbraw/zinc/90/62/00/1048906200.db2.gz VEYXLNRQGRQXAY-HKUYNNGSSA-N 1 0 312.457 4.313 20 30 DIEDRO C[C@H]([NH2+]Cc1cnc2c(F)cccc2c1)c1ccc(C#N)cc1 ZINC001177525636 1048906905 /nfs/dbraw/zinc/90/69/05/1048906905.db2.gz ZIBHFIIVWYTATA-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CCC(C)C)C2)cc1C#N ZINC001203486207 1048911819 /nfs/dbraw/zinc/91/18/19/1048911819.db2.gz XLRTWCKKVOAUCJ-MAUKXSAKSA-N 1 0 300.446 4.261 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)cc1C#N ZINC001203486206 1048912333 /nfs/dbraw/zinc/91/23/33/1048912333.db2.gz XLRTWCKKVOAUCJ-CRAIPNDOSA-N 1 0 300.446 4.261 20 30 DIEDRO CCOc1ccccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001203540834 1048923644 /nfs/dbraw/zinc/92/36/44/1048923644.db2.gz HMSFISLHNGXJTD-UHFFFAOYSA-N 1 0 320.436 4.337 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001191317824 1048924202 /nfs/dbraw/zinc/92/42/02/1048924202.db2.gz NMPOFDHSRXUCPJ-QRWLVFNGSA-N 1 0 308.400 4.323 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(CC#N)cc2)CC[C@H]1C(F)(F)F ZINC000484358527 1048927949 /nfs/dbraw/zinc/92/79/49/1048927949.db2.gz HBXYQGBPLRKRQB-OAHLLOKOSA-N 1 0 310.363 4.163 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC001177683336 1048928472 /nfs/dbraw/zinc/92/84/72/1048928472.db2.gz AXOQMHOCTAQRAA-PZJWPPBQSA-N 1 0 312.501 4.343 20 30 DIEDRO CCc1ccc([C@H]2CN([C@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000484355635 1048929484 /nfs/dbraw/zinc/92/94/84/1048929484.db2.gz LLIBEFMFHAGUJK-IIBYNOLFSA-N 1 0 320.436 4.255 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)CC1 ZINC001177683690 1048930474 /nfs/dbraw/zinc/93/04/74/1048930474.db2.gz PEAXUOBKOPSQQJ-SLYNCCJLSA-N 1 0 312.501 4.199 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(F)cc1Br)c1ccccc1 ZINC001177688522 1048932245 /nfs/dbraw/zinc/93/22/45/1048932245.db2.gz ZHKUIKYRRKZAON-UHFFFAOYSA-N 1 0 320.205 4.391 20 30 DIEDRO N#CCCCOc1cccc(CNc2ccc3c([nH+]2)CCCC3)c1 ZINC001203571320 1048933264 /nfs/dbraw/zinc/93/32/64/1048933264.db2.gz FTZMVUMOPVMEMH-UHFFFAOYSA-N 1 0 321.424 4.255 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001177693613 1048935080 /nfs/dbraw/zinc/93/50/80/1048935080.db2.gz WAMXHANDQVHKPJ-GXTWGEPZSA-N 1 0 309.837 4.192 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1sc(CC)nc1C ZINC000161489490 1048935568 /nfs/dbraw/zinc/93/55/68/1048935568.db2.gz YKLDRLFOXICKIM-CYBMUJFWSA-N 1 0 316.470 4.430 20 30 DIEDRO C=C1CCC(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC001203603086 1048938712 /nfs/dbraw/zinc/93/87/12/1048938712.db2.gz MMWXRFPOXMUDPH-UHFFFAOYSA-N 1 0 312.501 4.030 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC001177871509 1048949071 /nfs/dbraw/zinc/94/90/71/1048949071.db2.gz WZIPADRZOQLACY-MRXNPFEDSA-N 1 0 311.473 4.283 20 30 DIEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001191477587 1048949885 /nfs/dbraw/zinc/94/98/85/1048949885.db2.gz ZBSRKFUWWCYWBR-XLIONFOSSA-N 1 0 307.412 4.130 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC001191455033 1048955369 /nfs/dbraw/zinc/95/53/69/1048955369.db2.gz SSUBSJSYNOVBIW-UHFFFAOYSA-N 1 0 303.471 4.227 20 30 DIEDRO CCCCCCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC001191530090 1048958752 /nfs/dbraw/zinc/95/87/52/1048958752.db2.gz JINAKATYWGBAQY-PMACEKPBSA-N 1 0 319.489 4.171 20 30 DIEDRO Fc1ccc(C#CC[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC001191646908 1048975088 /nfs/dbraw/zinc/97/50/88/1048975088.db2.gz WLSLZMWUALGCOS-NRFANRHFSA-N 1 0 305.396 4.329 20 30 DIEDRO CCCCCCCCCN1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001191656450 1048978432 /nfs/dbraw/zinc/97/84/32/1048978432.db2.gz XMLRCLABIFHPGM-LJQANCHMSA-N 1 0 317.473 4.337 20 30 DIEDRO CC(C)c1nc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cs1 ZINC001203750724 1048988320 /nfs/dbraw/zinc/98/83/20/1048988320.db2.gz OCTMZALWZMWISE-UHFFFAOYSA-N 1 0 313.470 4.249 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c1 ZINC001203758105 1048992160 /nfs/dbraw/zinc/99/21/60/1048992160.db2.gz ZNDHHOCDTZBXIC-UHFFFAOYSA-N 1 0 300.405 4.119 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCc2ccc(Cl)cc21 ZINC001203764285 1048992836 /nfs/dbraw/zinc/99/28/36/1048992836.db2.gz JNUGPYAQUAYAFD-AWEZNQCLSA-N 1 0 310.828 4.373 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(n3ccc4ccccc43)CC2)c1 ZINC001203764641 1048993336 /nfs/dbraw/zinc/99/33/36/1048993336.db2.gz WIUXYQCISFCSMX-UHFFFAOYSA-N 1 0 315.420 4.350 20 30 DIEDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC001191742224 1048995756 /nfs/dbraw/zinc/99/57/56/1048995756.db2.gz MVRBEYCRBVONAJ-IRXDYDNUSA-N 1 0 320.864 4.237 20 30 DIEDRO Cc1cc(NCc2cccc(-c3ccc(C#N)s3)c2)cc[nH+]1 ZINC000775481264 1048999251 /nfs/dbraw/zinc/99/92/51/1048999251.db2.gz SFKYJZTUCRUSBM-UHFFFAOYSA-N 1 0 305.406 4.024 20 30 DIEDRO C#CCC1([NH2+]Cc2nc3c(s2)C[C@H](C)CC3)CCCCC1 ZINC001203808932 1049004047 /nfs/dbraw/zinc/00/40/47/1049004047.db2.gz BHHOPVAEVZWXNH-CQSZACIVSA-N 1 0 302.487 4.084 20 30 DIEDRO N#Cc1cc(F)c(F)cc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203826597 1049011199 /nfs/dbraw/zinc/01/11/99/1049011199.db2.gz BNPXNGUNEJXUKF-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Cl)ccc1O ZINC000775488713 1049012227 /nfs/dbraw/zinc/01/22/27/1049012227.db2.gz RNDKTVDYFIFIRQ-INIZCTEOSA-N 1 0 300.789 4.158 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000776798127 1049016927 /nfs/dbraw/zinc/01/69/27/1049016927.db2.gz GDUJNTKADYWGLS-OAQYLSRUSA-N 1 0 320.436 4.124 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1C ZINC001203898580 1049028736 /nfs/dbraw/zinc/02/87/36/1049028736.db2.gz GXUZYPNCXZSZTO-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC001203905043 1049029396 /nfs/dbraw/zinc/02/93/96/1049029396.db2.gz PIFZTJQSZAYCEH-IBGZPJMESA-N 1 0 308.400 4.152 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1Cl ZINC001178436621 1049031597 /nfs/dbraw/zinc/03/15/97/1049031597.db2.gz NBPOFBTWNATDSA-UHFFFAOYSA-N 1 0 313.828 4.162 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775502585 1049043652 /nfs/dbraw/zinc/04/36/52/1049043652.db2.gz SZTFHMQUKQBCFQ-QGZVFWFLSA-N 1 0 322.880 4.127 20 30 DIEDRO CCOc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cc1 ZINC001203967919 1049046382 /nfs/dbraw/zinc/04/63/82/1049046382.db2.gz UWZAIGJUIACCRT-UHFFFAOYSA-N 1 0 320.436 4.337 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001203964229 1049046545 /nfs/dbraw/zinc/04/65/45/1049046545.db2.gz VPPXFPZKDGCKEG-UHFFFAOYSA-N 1 0 305.421 4.111 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC001178532044 1049051990 /nfs/dbraw/zinc/05/19/90/1049051990.db2.gz HSLIRXJNLFKAFR-UWJYYQICSA-N 1 0 324.468 4.032 20 30 DIEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001178589253 1049058127 /nfs/dbraw/zinc/05/81/27/1049058127.db2.gz FXNGWIWJDSKUCF-MRXNPFEDSA-N 1 0 301.817 4.034 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001192252149 1049059248 /nfs/dbraw/zinc/05/92/48/1049059248.db2.gz GMLFXEXQVWYERN-RBUKOAKNSA-N 1 0 300.490 4.328 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc3ncccc23)cc1Cl ZINC001178561566 1049062350 /nfs/dbraw/zinc/06/23/50/1049062350.db2.gz LHKJMKKDRWJSGB-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CC[C@@H](C)C1 ZINC000484860592 1049062808 /nfs/dbraw/zinc/06/28/08/1049062808.db2.gz IUCAJAXKULGSOR-SJLPKXTDSA-N 1 0 314.473 4.125 20 30 DIEDRO CCCCCN(C)c1ccc(F)cc1C[NH2+]CC1(CC#N)CC1 ZINC001178606103 1049066880 /nfs/dbraw/zinc/06/68/80/1049066880.db2.gz WJRXZSNTJANPGJ-UHFFFAOYSA-N 1 0 317.452 4.236 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204041409 1049068286 /nfs/dbraw/zinc/06/82/86/1049068286.db2.gz KYMQVLPAZNQRIJ-UHFFFAOYSA-N 1 0 315.420 4.225 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(Br)nc2)CCCCC1 ZINC001178723918 1049074188 /nfs/dbraw/zinc/07/41/88/1049074188.db2.gz PDBZKNJZNUVQCW-UHFFFAOYSA-N 1 0 309.251 4.213 20 30 DIEDRO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000484912114 1049078172 /nfs/dbraw/zinc/07/81/72/1049078172.db2.gz RWSLBODTRLEYLO-DZGCQCFKSA-N 1 0 322.474 4.202 20 30 DIEDRO C=CCC1(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CCCC1 ZINC001178709382 1049078676 /nfs/dbraw/zinc/07/86/76/1049078676.db2.gz FGVSBDXLXWDCDE-UHFFFAOYSA-N 1 0 324.472 4.110 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(OCC)c(OC)c2)CCCC1 ZINC001178709182 1049079798 /nfs/dbraw/zinc/07/97/98/1049079798.db2.gz BJGMOGNNZJOECY-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OC)c(O[C@H](C)CC)c2)cc1 ZINC001178758892 1049082770 /nfs/dbraw/zinc/08/27/70/1049082770.db2.gz MILYHYNCAVVREO-MRXNPFEDSA-N 1 0 323.436 4.144 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC001178758995 1049084272 /nfs/dbraw/zinc/08/42/72/1049084272.db2.gz QEBPGVDLQNDNPZ-UHFFFAOYSA-N 1 0 321.811 4.001 20 30 DIEDRO N#Cc1ccc(F)cc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204109393 1049085581 /nfs/dbraw/zinc/08/55/81/1049085581.db2.gz KOMDLEAKVXTDRL-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO N#CCCOCC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000338996654 1049095795 /nfs/dbraw/zinc/09/57/95/1049095795.db2.gz GFZFADCOVPMDRK-KRWDZBQOSA-N 1 0 306.837 4.187 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)c2cccs2)cc1 ZINC000114508755 1049099306 /nfs/dbraw/zinc/09/93/06/1049099306.db2.gz BDWJLUQJITWVSE-AWEZNQCLSA-N 1 0 314.454 4.106 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCOCC2CCCC2)cc1Cl ZINC001178872848 1049103167 /nfs/dbraw/zinc/10/31/67/1049103167.db2.gz NGOYYIPTYVUUBT-UHFFFAOYSA-N 1 0 323.864 4.201 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc1 ZINC001204179137 1049104433 /nfs/dbraw/zinc/10/44/33/1049104433.db2.gz KGBLLCSRNDMEJE-UHFFFAOYSA-N 1 0 322.427 4.445 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1snc(OC)c1Cl ZINC001178939661 1049111616 /nfs/dbraw/zinc/11/16/16/1049111616.db2.gz NJJMMPHJKOALCM-ZDUSSCGKSA-N 1 0 322.861 4.082 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CC[C@@H](COc3ccccc3)C2)CCC1 ZINC001192490672 1049111740 /nfs/dbraw/zinc/11/17/40/1049111740.db2.gz SEVVCKRCVHUHCW-GOSISDBHSA-N 1 0 312.457 4.251 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)cc(OC)c1O ZINC001178950607 1049112599 /nfs/dbraw/zinc/11/25/99/1049112599.db2.gz PZGVWUWSAJZCMJ-ROUUACIJSA-N 1 0 315.457 4.045 20 30 DIEDRO C=C(CC)C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC001178945427 1049112751 /nfs/dbraw/zinc/11/27/51/1049112751.db2.gz RZZDWGUXDVGZED-UHFFFAOYSA-N 1 0 311.425 4.427 20 30 DIEDRO C=CCCCCCC[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000857076722 1049124832 /nfs/dbraw/zinc/12/48/32/1049124832.db2.gz DBNYDHNPHDDDSD-SFHVURJKSA-N 1 0 300.446 4.210 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cccc(C)c1Br ZINC001179099906 1049127615 /nfs/dbraw/zinc/12/76/15/1049127615.db2.gz ILGZURVNDVRWPD-UHFFFAOYSA-N 1 0 314.292 4.156 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC001192673070 1049129142 /nfs/dbraw/zinc/12/91/42/1049129142.db2.gz LKLWERQUYBUFBQ-RTWAWAEBSA-N 1 0 309.453 4.277 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc3oc(=O)oc3c2)CCCC1 ZINC001179143496 1049132367 /nfs/dbraw/zinc/13/23/67/1049132367.db2.gz YAAALNAJLQKFGM-UHFFFAOYSA-N 1 0 301.386 4.002 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(c3cccc(O)c3)CC2)cc1 ZINC001204302837 1049134031 /nfs/dbraw/zinc/13/40/31/1049134031.db2.gz VUAGSPLDDPKLQS-UHFFFAOYSA-N 1 0 323.436 4.337 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)cc1 ZINC001204303915 1049134143 /nfs/dbraw/zinc/13/41/43/1049134143.db2.gz SOXUCMOTDFCGSR-HXUWFJFHSA-N 1 0 308.425 4.292 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC001204299921 1049134351 /nfs/dbraw/zinc/13/43/51/1049134351.db2.gz FCUYABTZVJIZKK-GOSISDBHSA-N 1 0 308.425 4.026 20 30 DIEDRO C#CCC[NH2+][C@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC001192707827 1049134831 /nfs/dbraw/zinc/13/48/31/1049134831.db2.gz CCJXQINVEUQASO-OAQYLSRUSA-N 1 0 307.437 4.209 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC001204300505 1049134836 /nfs/dbraw/zinc/13/48/36/1049134836.db2.gz TUZZMJBCVACSPE-FQEVSTJZSA-N 1 0 308.425 4.374 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC001204302508 1049135086 /nfs/dbraw/zinc/13/50/86/1049135086.db2.gz LBMLPHSRIREHNV-UHFFFAOYSA-N 1 0 323.436 4.337 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)CC/C=C/c2cccnc2)cc1 ZINC001204304023 1049135143 /nfs/dbraw/zinc/13/51/43/1049135143.db2.gz ZGFGTKTUXDAIHW-QPJJXVBHSA-N 1 0 308.425 4.182 20 30 DIEDRO Cc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc2cccnc12 ZINC001179141222 1049135367 /nfs/dbraw/zinc/13/53/67/1049135367.db2.gz YRKCLTKOSIPDRT-UHFFFAOYSA-N 1 0 315.420 4.440 20 30 DIEDRO CCCCN(CCC#N)Cc1ccccc1OC(F)(F)F ZINC001204424667 1049159900 /nfs/dbraw/zinc/15/99/00/1049159900.db2.gz DHOJNARBOYLCER-UHFFFAOYSA-N 1 0 300.324 4.101 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001204321260 1049142020 /nfs/dbraw/zinc/14/20/20/1049142020.db2.gz IARKVTVLIBHGHJ-UHFFFAOYSA-N 1 0 306.453 4.475 20 30 DIEDRO N#C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccc2)CC1 ZINC001204331576 1049144121 /nfs/dbraw/zinc/14/41/21/1049144121.db2.gz JNGVUSUJCTYFJT-GOSISDBHSA-N 1 0 320.436 4.391 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1c(F)cc(Br)cc1F ZINC001179232644 1049145716 /nfs/dbraw/zinc/14/57/16/1049145716.db2.gz LBMVRKORYWAOTD-UHFFFAOYSA-N 1 0 318.205 4.419 20 30 DIEDRO CCc1cccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001192945871 1049150948 /nfs/dbraw/zinc/15/09/48/1049150948.db2.gz DJXCUMOUUMJEOO-UHFFFAOYSA-N 1 0 302.421 4.410 20 30 DIEDRO COc1cccc([C@H]2CCCCN2Cc2ccccc2C#N)c1 ZINC001204370003 1049153827 /nfs/dbraw/zinc/15/38/27/1049153827.db2.gz MXEXZDDKPMDSEM-HXUWFJFHSA-N 1 0 306.409 4.294 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)C1 ZINC001179325240 1049157857 /nfs/dbraw/zinc/15/78/57/1049157857.db2.gz QBNMLZWCMDUSCP-ZBFHGGJFSA-N 1 0 300.421 4.492 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCC[C@@H]2CCO2)C(C)(C)C)cc1 ZINC001204432980 1049162838 /nfs/dbraw/zinc/16/28/38/1049162838.db2.gz YBUDHJCUYMJWMQ-GOSISDBHSA-N 1 0 317.473 4.421 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(Cl)c(Br)c2)CCCC1 ZINC001179438487 1049164256 /nfs/dbraw/zinc/16/42/56/1049164256.db2.gz VOBJLRZOQVSIJL-UHFFFAOYSA-N 1 0 312.638 4.138 20 30 DIEDRO CCc1cccc2cc(C[NH2+][C@@H]3Cc4ccc(C#N)cc4C3)oc21 ZINC001179419840 1049167274 /nfs/dbraw/zinc/16/72/74/1049167274.db2.gz UKKUPFXUHOJUDN-LJQANCHMSA-N 1 0 316.404 4.124 20 30 DIEDRO CC(C)(C)C1CCC(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001179419487 1049167531 /nfs/dbraw/zinc/16/75/31/1049167531.db2.gz NJAHLLCGAJWXMT-RGKRWLCDSA-N 1 0 310.485 4.468 20 30 DIEDRO Cc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)ccc1C#N ZINC001204480660 1049172789 /nfs/dbraw/zinc/17/27/89/1049172789.db2.gz VTBUCSKFGRWUGH-BEFAXECRSA-N 1 0 308.400 4.384 20 30 DIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001193081232 1049174159 /nfs/dbraw/zinc/17/41/59/1049174159.db2.gz NMTARELXARVTGJ-MJGOQNOKSA-N 1 0 300.446 4.276 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCc2ccccc2C1 ZINC001204489261 1049175100 /nfs/dbraw/zinc/17/51/00/1049175100.db2.gz SJZJSNRSLSSKMO-GOSISDBHSA-N 1 0 307.412 4.066 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC001179506661 1049175292 /nfs/dbraw/zinc/17/52/92/1049175292.db2.gz FFCYFZJPLPUVFP-WGSAOQKQSA-N 1 0 321.468 4.079 20 30 DIEDRO N#CCC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCCCCC1 ZINC001204493589 1049176066 /nfs/dbraw/zinc/17/60/66/1049176066.db2.gz RNABXQZJVUCNLU-UHFFFAOYSA-N 1 0 312.457 4.450 20 30 DIEDRO COc1ccc(C[C@H](C)C[N@H+](CCC#N)CCC(C)C)cc1F ZINC001204498293 1049176733 /nfs/dbraw/zinc/17/67/33/1049176733.db2.gz YOQPNACIDAEPEL-INIZCTEOSA-N 1 0 320.452 4.275 20 30 DIEDRO Cc1c(F)cccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001204511972 1049178784 /nfs/dbraw/zinc/17/87/84/1049178784.db2.gz CPEZUPWFGVTFJH-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2c(C)nn(CCCC)c2Cl)CC1 ZINC001179540971 1049179094 /nfs/dbraw/zinc/17/90/94/1049179094.db2.gz CZVRWLSUIQHGTF-UHFFFAOYSA-N 1 0 309.885 4.481 20 30 DIEDRO COc1ccc2cc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc2c1 ZINC001204518069 1049180680 /nfs/dbraw/zinc/18/06/80/1049180680.db2.gz QHKHEHGZVHQHJA-OHFIKTQHSA-N 1 0 306.409 4.115 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1C#N ZINC001179583362 1049186149 /nfs/dbraw/zinc/18/61/49/1049186149.db2.gz DNKVHJUFIXPTDE-UHFFFAOYSA-N 1 0 307.422 4.051 20 30 DIEDRO COc1cc(C[NH+]2CCC(C#Cc3ccccc3)CC2)ccc1F ZINC001204561942 1049189584 /nfs/dbraw/zinc/18/95/84/1049189584.db2.gz DAJNJIWEGCEQFJ-UHFFFAOYSA-N 1 0 323.411 4.098 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(N(C)C)cc1 ZINC000775583388 1049189960 /nfs/dbraw/zinc/18/99/60/1049189960.db2.gz UMMHEBIGHSSADR-QVKFZJNVSA-N 1 0 319.452 4.352 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000115622311 1049199479 /nfs/dbraw/zinc/19/94/79/1049199479.db2.gz RDRZKWKBWBHJSW-LPHOPBHVSA-N 1 0 323.440 4.168 20 30 DIEDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1C ZINC000115630234 1049199958 /nfs/dbraw/zinc/19/99/58/1049199958.db2.gz GHOZWWHYKQLIGL-WBVHZDCISA-N 1 0 308.425 4.445 20 30 DIEDRO CC[C@H]1CCC[C@@H]1[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001193401324 1049208152 /nfs/dbraw/zinc/20/81/52/1049208152.db2.gz IZWGMZJFBINVHK-HOCLYGCPSA-N 1 0 311.347 4.105 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4ccc(Cl)nc43)CCC2)cc1 ZINC000857915208 1049210846 /nfs/dbraw/zinc/21/08/46/1049210846.db2.gz UNQHHDXVFORNOT-MRXNPFEDSA-N 1 0 323.827 4.263 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857916406 1049211918 /nfs/dbraw/zinc/21/19/18/1049211918.db2.gz PVILHUMGEWVHNU-DLBZAZTESA-N 1 0 323.827 4.261 20 30 DIEDRO C=C(C)COc1cc(C[NH+]2CC3(C2)CCCC3)ccc1OC ZINC000485285496 1049215338 /nfs/dbraw/zinc/21/53/38/1049215338.db2.gz BFRXNJURGUMHES-UHFFFAOYSA-N 1 0 301.430 4.026 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(Cl)nc2C#N)cc1 ZINC001204670578 1049217966 /nfs/dbraw/zinc/21/79/66/1049217966.db2.gz AWPJWMNLHMIOPH-UHFFFAOYSA-N 1 0 314.820 4.238 20 30 DIEDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001193508798 1049219243 /nfs/dbraw/zinc/21/92/43/1049219243.db2.gz SBYIWKDFGJQJET-CQSZACIVSA-N 1 0 310.363 4.445 20 30 DIEDRO CC(C)Cc1ccccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000858204529 1049226201 /nfs/dbraw/zinc/22/62/01/1049226201.db2.gz NJQIAIBPHBLBAW-QGZVFWFLSA-N 1 0 322.452 4.466 20 30 DIEDRO CCC([NH2+]Cc1ccc(N(C)CCC#N)cc1)(C1CC1)C1CC1 ZINC000858230207 1049227327 /nfs/dbraw/zinc/22/73/27/1049227327.db2.gz RPZKBOHJGZFYQQ-UHFFFAOYSA-N 1 0 311.473 4.095 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC001193647911 1049239187 /nfs/dbraw/zinc/23/91/87/1049239187.db2.gz BQROUCPYEHJGNG-BFQNTYOBSA-N 1 0 321.262 4.235 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC001193647916 1049239344 /nfs/dbraw/zinc/23/93/44/1049239344.db2.gz BQROUCPYEHJGNG-WQGACYEGSA-N 1 0 321.262 4.235 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccns2)cc1Cl ZINC000858316716 1049239537 /nfs/dbraw/zinc/23/95/37/1049239537.db2.gz IRCVSTCFHBEMTO-NSHDSACASA-N 1 0 308.834 4.212 20 30 DIEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)cc2ccccc21 ZINC001204721381 1049240262 /nfs/dbraw/zinc/24/02/62/1049240262.db2.gz LKFMXZOHPKPLPU-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC001193649510 1049241231 /nfs/dbraw/zinc/24/12/31/1049241231.db2.gz RSFPDXSIYFKOHK-BFQNTYOBSA-N 1 0 321.262 4.235 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1F)CC1(CCCOC)CCC1 ZINC001204736147 1049245798 /nfs/dbraw/zinc/24/57/98/1049245798.db2.gz IFUFIXMUPZHJGC-UHFFFAOYSA-N 1 0 305.437 4.411 20 30 DIEDRO C=C(C)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC001193724133 1049248327 /nfs/dbraw/zinc/24/83/27/1049248327.db2.gz HVTJTWPVTRDMIA-UHFFFAOYSA-N 1 0 308.263 4.379 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000858381281 1049251066 /nfs/dbraw/zinc/25/10/66/1049251066.db2.gz LPINARWYRPPYPK-QMMMGPOBSA-N 1 0 313.150 4.027 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000858446310 1049259409 /nfs/dbraw/zinc/25/94/09/1049259409.db2.gz DIGMRLCLKQLMSO-HNNXBMFYSA-N 1 0 316.445 4.286 20 30 DIEDRO C#CC[N@@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)C1CCCCC1 ZINC001180030797 1049259501 /nfs/dbraw/zinc/25/95/01/1049259501.db2.gz PERPOUSTZINRNE-MRXNPFEDSA-N 1 0 317.448 4.281 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000858484650 1049263182 /nfs/dbraw/zinc/26/31/82/1049263182.db2.gz XFENWBIZONEIRS-QRWLVFNGSA-N 1 0 321.424 4.176 20 30 DIEDRO CC(C)[N@H+](Cc1csc(C#N)c1)Cc1ccc(N(C)C)cc1 ZINC001180077567 1049275319 /nfs/dbraw/zinc/27/53/19/1049275319.db2.gz PSUASDPTWLXLII-UHFFFAOYSA-N 1 0 313.470 4.096 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCc3ccc(F)cc3)CC2)cc1 ZINC001180133621 1049281437 /nfs/dbraw/zinc/28/14/37/1049281437.db2.gz ZMYFHEFJGYRCLC-UHFFFAOYSA-N 1 0 306.384 4.029 20 30 DIEDRO C=CC[C@H]1[N@H+](CC(=O)N(C(C)C)C2CCCC2)CCCC1(C)C ZINC001193921008 1049284725 /nfs/dbraw/zinc/28/47/25/1049284725.db2.gz SZRLGVIYCUZQAL-GOSISDBHSA-N 1 0 320.521 4.233 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001180114803 1049288068 /nfs/dbraw/zinc/28/80/68/1049288068.db2.gz JLJKVWQLFADMDE-GOSISDBHSA-N 1 0 300.446 4.169 20 30 DIEDRO Cc1cc(C[NH+]2CCC(COc3ccccc3)CC2)ccc1C#N ZINC001204899494 1049303698 /nfs/dbraw/zinc/30/36/98/1049303698.db2.gz QWVXOIGMGCJMOW-UHFFFAOYSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc2ccoc21 ZINC001204899917 1049305368 /nfs/dbraw/zinc/30/53/68/1049305368.db2.gz VGZQORSGNYVSID-UHFFFAOYSA-N 1 0 302.377 4.493 20 30 DIEDRO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC001180166324 1049305820 /nfs/dbraw/zinc/30/58/20/1049305820.db2.gz NMYIQRBPARJEDW-INIZCTEOSA-N 1 0 318.420 4.197 20 30 DIEDRO CCCCCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001194041898 1049306400 /nfs/dbraw/zinc/30/64/00/1049306400.db2.gz HPNSPEWVHVKMMQ-UHFFFAOYSA-N 1 0 300.446 4.372 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001180170628 1049307842 /nfs/dbraw/zinc/30/78/42/1049307842.db2.gz PUGVBXFSCJYZSQ-VQTJNVASSA-N 1 0 305.425 4.111 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC001204909020 1049308626 /nfs/dbraw/zinc/30/86/26/1049308626.db2.gz VJZFRNGIAOMSQF-UHFFFAOYSA-N 1 0 308.400 4.500 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC001194051506 1049309380 /nfs/dbraw/zinc/30/93/80/1049309380.db2.gz FDAQKFYRDICFQY-UHFFFAOYSA-N 1 0 317.436 4.451 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1Cl ZINC001194057884 1049310485 /nfs/dbraw/zinc/31/04/85/1049310485.db2.gz GMXVNPDPBCNQCC-CQSZACIVSA-N 1 0 314.816 4.331 20 30 DIEDRO CC[N@H+](CC1Cc2ccccc2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC001180199808 1049316414 /nfs/dbraw/zinc/31/64/14/1049316414.db2.gz YSOMXINKQKMNLA-INIZCTEOSA-N 1 0 304.437 4.356 20 30 DIEDRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001180249541 1049321924 /nfs/dbraw/zinc/32/19/24/1049321924.db2.gz QOHOITTWYGJMPB-UWJYYQICSA-N 1 0 324.468 4.394 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)o1 ZINC000485731098 1049329231 /nfs/dbraw/zinc/32/92/31/1049329231.db2.gz TXSXUJSTIGGHDU-XUVXKRRUSA-N 1 0 306.409 4.309 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001180281243 1049334125 /nfs/dbraw/zinc/33/41/25/1049334125.db2.gz ZTZAYJOLDUUKPM-WMLDXEAASA-N 1 0 303.833 4.117 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(Cl)cc1O ZINC001180280775 1049334956 /nfs/dbraw/zinc/33/49/56/1049334956.db2.gz MQTMZGBGPOUJOA-UHFFFAOYSA-N 1 0 301.817 4.276 20 30 DIEDRO C=CCC1([NH2+][C@H](C)CCc2ccc(F)cc2F)CCOCC1 ZINC000668550758 1049344880 /nfs/dbraw/zinc/34/48/80/1049344880.db2.gz FTCNGJZVOWRGDS-CQSZACIVSA-N 1 0 309.400 4.001 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)CCc1ccc(F)cc1Cl ZINC001180331647 1049347531 /nfs/dbraw/zinc/34/75/31/1049347531.db2.gz IRQCTNIJFYVMMI-UHFFFAOYSA-N 1 0 307.796 4.345 20 30 DIEDRO CCCCCCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000859882342 1049360793 /nfs/dbraw/zinc/36/07/93/1049360793.db2.gz QOEGUBACSZQASA-UHFFFAOYSA-N 1 0 300.446 4.124 20 30 DIEDRO N#CCSCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485885977 1049361120 /nfs/dbraw/zinc/36/11/20/1049361120.db2.gz XYAJRHVZZJUIRW-GUDVDZBRSA-N 1 0 314.498 4.291 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC001180412793 1049361512 /nfs/dbraw/zinc/36/15/12/1049361512.db2.gz HLWKUKKOLOJMIY-QGZVFWFLSA-N 1 0 311.454 4.023 20 30 DIEDRO C#CCC[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001194376701 1049362953 /nfs/dbraw/zinc/36/29/53/1049362953.db2.gz LKBLFGADLSJCGU-KRWDZBQOSA-N 1 0 306.434 4.193 20 30 DIEDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC001205083612 1049369184 /nfs/dbraw/zinc/36/91/84/1049369184.db2.gz YZRAWHDONCGXKH-OAHLLOKOSA-N 1 0 308.400 4.498 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860136865 1049370731 /nfs/dbraw/zinc/37/07/31/1049370731.db2.gz BMEVXXJKZJRMAQ-OXJNMPFZSA-N 1 0 317.473 4.185 20 30 DIEDRO C#CCCCCCC[N@@H+](C)Cc1ccc(Br)cc1 ZINC001180531824 1049374145 /nfs/dbraw/zinc/37/41/45/1049374145.db2.gz KUSTUWFTPLOZAG-UHFFFAOYSA-N 1 0 308.263 4.465 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC001194497339 1049385292 /nfs/dbraw/zinc/38/52/92/1049385292.db2.gz JFGBQBLRQMPMAB-RTWAWAEBSA-N 1 0 318.420 4.048 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC#Cc2ccccc2)c1 ZINC001180834331 1049408395 /nfs/dbraw/zinc/40/83/95/1049408395.db2.gz DQKYQUXOMSAIRS-UTKZUKDTSA-N 1 0 305.421 4.130 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC001194676513 1049411130 /nfs/dbraw/zinc/41/11/30/1049411130.db2.gz YGOXGSHICALGIN-OAHLLOKOSA-N 1 0 308.263 4.422 20 30 DIEDRO C#Cc1ccc(C[N@@H+](Cc2ccc(OC)cc2)[C@H](C)C2CC2)cc1 ZINC001205225222 1049412539 /nfs/dbraw/zinc/41/25/39/1049412539.db2.gz SZXXEDWDDSBEID-QGZVFWFLSA-N 1 0 319.448 4.477 20 30 DIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(C#N)c2)cc1 ZINC001205225516 1049412673 /nfs/dbraw/zinc/41/26/73/1049412673.db2.gz XILJMCFGRHBATP-SFHVURJKSA-N 1 0 312.438 4.356 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1F ZINC001205244116 1049416134 /nfs/dbraw/zinc/41/61/34/1049416134.db2.gz TZYPBNJJFFRPAC-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1F ZINC001205251944 1049416867 /nfs/dbraw/zinc/41/68/67/1049416867.db2.gz RVWVKSLVSZAIIX-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CCC12CC[NH+](C)CC2 ZINC000775606767 1049425472 /nfs/dbraw/zinc/42/54/72/1049425472.db2.gz CAHIHYKVCKWPPD-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO C(#CC1CC[NH+](Cc2cccc3[nH]ccc32)CC1)c1ccccc1 ZINC001205306142 1049432424 /nfs/dbraw/zinc/43/24/24/1049432424.db2.gz VVOOMNCLMFFSBE-UHFFFAOYSA-N 1 0 314.432 4.432 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000775612654 1049438060 /nfs/dbraw/zinc/43/80/60/1049438060.db2.gz GWNZUSFWOHGINE-HXUWFJFHSA-N 1 0 304.437 4.305 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001181120101 1049441975 /nfs/dbraw/zinc/44/19/75/1049441975.db2.gz GNRIEIIMLGKBOJ-SFHVURJKSA-N 1 0 322.537 4.317 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001181132636 1049444795 /nfs/dbraw/zinc/44/47/95/1049444795.db2.gz GKPWHMOASAHLIN-OAHLLOKOSA-N 1 0 315.461 4.218 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1(C)C ZINC001181162092 1049446044 /nfs/dbraw/zinc/44/60/44/1049446044.db2.gz AFRNIIUMFDXTQN-DLBZAZTESA-N 1 0 320.864 4.285 20 30 DIEDRO CCCCCCCCCOC(=O)NCCCCC[NH+](C)C ZINC001194919817 1049447741 /nfs/dbraw/zinc/44/77/41/1049447741.db2.gz KNDSRIHSRQQYTH-UHFFFAOYSA-N 1 0 300.487 4.195 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)c1 ZINC000093492370 1049448467 /nfs/dbraw/zinc/44/84/67/1049448467.db2.gz IRXXHYVFCOLJTC-CYBMUJFWSA-N 1 0 300.427 4.258 20 30 DIEDRO CCCCCCCCCOC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001194920500 1049449609 /nfs/dbraw/zinc/44/96/09/1049449609.db2.gz IJEARTNPHIYZMU-BCDXTJNWSA-N 1 0 324.509 4.479 20 30 DIEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C#N)cc1Br ZINC001194953558 1049453727 /nfs/dbraw/zinc/45/37/27/1049453727.db2.gz PBPFZIIYJQVPIA-MLGOLLRUSA-N 1 0 321.262 4.379 20 30 DIEDRO COC1(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCC1 ZINC001205391367 1049458708 /nfs/dbraw/zinc/45/87/08/1049458708.db2.gz MMRBDEVXJJKVJI-MRXNPFEDSA-N 1 0 320.436 4.445 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C2(C3CCC3)CCC2)cc1 ZINC001195002652 1049461150 /nfs/dbraw/zinc/46/11/50/1049461150.db2.gz MDVOVTDABKNRQY-UHFFFAOYSA-N 1 0 307.359 4.369 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)cc1C#N ZINC000775627500 1049461312 /nfs/dbraw/zinc/46/13/12/1049461312.db2.gz JAIMXSPISPXUHN-HXUWFJFHSA-N 1 0 324.424 4.489 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2ccc(O)c(OCC)c2)CCCC1(C)C ZINC001181297171 1049461912 /nfs/dbraw/zinc/46/19/12/1049461912.db2.gz NYRANUYSZHNTJK-GOSISDBHSA-N 1 0 303.446 4.358 20 30 DIEDRO CCC1(CC)CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000777220798 1049462935 /nfs/dbraw/zinc/46/29/35/1049462935.db2.gz UVHORSRUWHQQSX-MRXNPFEDSA-N 1 0 300.446 4.380 20 30 DIEDRO Cc1cc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)ccc1C#N ZINC000486800881 1049476216 /nfs/dbraw/zinc/47/62/16/1049476216.db2.gz KUZWZANHQYPVAR-FQEVSTJZSA-N 1 0 305.425 4.379 20 30 DIEDRO Cc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)ccc1C#N ZINC000486800882 1049477024 /nfs/dbraw/zinc/47/70/24/1049477024.db2.gz KUZWZANHQYPVAR-HXUWFJFHSA-N 1 0 305.425 4.379 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)c1 ZINC000486801530 1049477159 /nfs/dbraw/zinc/47/71/59/1049477159.db2.gz UVNJKKKCCCHZFX-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000486804518 1049478803 /nfs/dbraw/zinc/47/88/03/1049478803.db2.gz RIKZCZVPOFPICQ-LJQANCHMSA-N 1 0 304.437 4.305 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001205489778 1049484144 /nfs/dbraw/zinc/48/41/44/1049484144.db2.gz ZKPMUCQXPDHZEG-PWSUYJOCSA-N 1 0 321.770 4.080 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001205489776 1049484823 /nfs/dbraw/zinc/48/48/23/1049484823.db2.gz ZKPMUCQXPDHZEG-CMPLNLGQSA-N 1 0 321.770 4.080 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1ccc(F)c(C#N)c1 ZINC001205493797 1049486392 /nfs/dbraw/zinc/48/63/92/1049486392.db2.gz RBWOXIIQTAJICT-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](N(C)c3ccc(C)cc3)C2)cc1 ZINC001181514216 1049486750 /nfs/dbraw/zinc/48/67/50/1049486750.db2.gz BABPLPCMFCGKAS-QFIPXVFZSA-N 1 0 318.464 4.077 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001205502232 1049487370 /nfs/dbraw/zinc/48/73/70/1049487370.db2.gz LTGWRAQPGSXROF-UHFFFAOYSA-N 1 0 308.400 4.251 20 30 DIEDRO C#C[C@@H]([NH2+]C1CC(c2ccc(Br)cc2F)C1)C(C)C ZINC001181574645 1049491511 /nfs/dbraw/zinc/49/15/11/1049491511.db2.gz BCQKDKYYKATHDR-IJGSQOGDSA-N 1 0 324.237 4.082 20 30 DIEDRO C[NH+](C)Cc1cc(NCc2ccc(C#N)c(F)c2)ccc1Cl ZINC001205548230 1049496701 /nfs/dbraw/zinc/49/67/01/1049496701.db2.gz QOCRSWCHANZEPR-UHFFFAOYSA-N 1 0 317.795 4.024 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC001181688291 1049498507 /nfs/dbraw/zinc/49/85/07/1049498507.db2.gz RPCKKSGTAHROIK-UHFFFAOYSA-N 1 0 301.817 4.237 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC001205575517 1049500622 /nfs/dbraw/zinc/50/06/22/1049500622.db2.gz PSKSVDTURCMYIW-CJNGLKHVSA-N 1 0 314.256 4.107 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cc(Cl)cs1 ZINC000486973474 1049501949 /nfs/dbraw/zinc/50/19/49/1049501949.db2.gz UFVWHYMLTRNLJT-UHFFFAOYSA-N 1 0 322.886 4.296 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC001205583781 1049502957 /nfs/dbraw/zinc/50/29/57/1049502957.db2.gz UWHFRAXKOGBADE-CQSZACIVSA-N 1 0 310.235 4.004 20 30 DIEDRO FC(F)(F)C[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001195299188 1049512912 /nfs/dbraw/zinc/51/29/12/1049512912.db2.gz LYRYWYGACKADJV-CQSZACIVSA-N 1 0 315.766 4.356 20 30 DIEDRO C#CCCCCCC[NH2+]CCc1ccccc1Br ZINC001205645554 1049520995 /nfs/dbraw/zinc/52/09/95/1049520995.db2.gz KFTXCWBLNDMAAA-UHFFFAOYSA-N 1 0 308.263 4.165 20 30 DIEDRO Cc1ccc([C@@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)c(C)c1 ZINC001205650948 1049522521 /nfs/dbraw/zinc/52/25/21/1049522521.db2.gz XHNMESNGWBLVER-QGZVFWFLSA-N 1 0 308.400 4.304 20 30 DIEDRO CCCOC1(C[NH2+]Cc2ccc(C#N)c(C)c2)CCCCC1 ZINC001205695937 1049536173 /nfs/dbraw/zinc/53/61/73/1049536173.db2.gz BYFYYNGFFMQWOI-UHFFFAOYSA-N 1 0 300.446 4.086 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)C1(C)CC[NH+](C)CC1 ZINC001181985637 1049556414 /nfs/dbraw/zinc/55/64/14/1049556414.db2.gz ZZLRXTBVZWJMRJ-UHFFFAOYSA-N 1 0 310.526 4.317 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001195694648 1049558505 /nfs/dbraw/zinc/55/85/05/1049558505.db2.gz PTHKLHDAQPKNHH-CABCVRRESA-N 1 0 308.400 4.420 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl ZINC001205850116 1049582393 /nfs/dbraw/zinc/58/23/93/1049582393.db2.gz WPRFKMVEIGMYCJ-IMJJTQAJSA-N 1 0 314.256 4.248 20 30 DIEDRO CC(C)c1ccc2c(c1)CN(Cc1ccc(F)c(C#N)c1)CC2 ZINC001195910630 1049588257 /nfs/dbraw/zinc/58/82/57/1049588257.db2.gz JKPCRXGMMDVAPZ-UHFFFAOYSA-N 1 0 308.400 4.379 20 30 DIEDRO C#CC[N@@H+](CC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC001205881925 1049593187 /nfs/dbraw/zinc/59/31/87/1049593187.db2.gz HQNHTHLVPNOJPA-UHFFFAOYSA-N 1 0 311.375 4.194 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC001195947183 1049599348 /nfs/dbraw/zinc/59/93/48/1049599348.db2.gz RBXXWFIGJXSFIL-JKSUJKDBSA-N 1 0 311.429 4.394 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000775677345 1049600952 /nfs/dbraw/zinc/60/09/52/1049600952.db2.gz BWYJJOOABQJZDH-CZUORRHYSA-N 1 0 306.837 4.301 20 30 DIEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000775683341 1049602271 /nfs/dbraw/zinc/60/22/71/1049602271.db2.gz QUWYMNVEMWFTQO-MRXNPFEDSA-N 1 0 306.837 4.301 20 30 DIEDRO CCC#C[C@@H](C)[NH+]1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001196014082 1049604078 /nfs/dbraw/zinc/60/40/78/1049604078.db2.gz PXYMHWUWMFSIBK-OAHLLOKOSA-N 1 0 318.530 4.497 20 30 DIEDRO C=CCCCCC[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000488167639 1049606949 /nfs/dbraw/zinc/60/69/49/1049606949.db2.gz KAZBACZQPKNWEH-UHFFFAOYSA-N 1 0 317.473 4.423 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001205974143 1049615542 /nfs/dbraw/zinc/61/55/42/1049615542.db2.gz MGIJXRUKAXVHNR-UGSOOPFHSA-N 1 0 301.792 4.374 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCC12CCC2)c1ccc(Br)cc1 ZINC001205987941 1049618544 /nfs/dbraw/zinc/61/85/44/1049618544.db2.gz BCFRIBYTCZLDRH-GJZGRUSLSA-N 1 0 304.231 4.046 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC001205999371 1049624575 /nfs/dbraw/zinc/62/45/75/1049624575.db2.gz XPGYOOYJICFNMZ-ZRGWGRIASA-N 1 0 308.400 4.464 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1OCC(F)(F)F)C(C)(C)C ZINC001196198279 1049628725 /nfs/dbraw/zinc/62/87/25/1049628725.db2.gz IWTHTOZOBZNYBT-UHFFFAOYSA-N 1 0 301.352 4.414 20 30 DIEDRO C=C(C)CC[N@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001196208457 1049630600 /nfs/dbraw/zinc/63/06/00/1049630600.db2.gz PLHGUCHYNNQBLQ-IAGOWNOFSA-N 1 0 324.509 4.358 20 30 DIEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1Br ZINC001196262918 1049633717 /nfs/dbraw/zinc/63/37/17/1049633717.db2.gz KMYKTSJMICZWLW-PHTAMDTFSA-N 1 0 319.246 4.084 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC001182355819 1049635059 /nfs/dbraw/zinc/63/50/59/1049635059.db2.gz GOTJVCXMXQBBCW-YDGYHQHPSA-N 1 0 305.506 4.288 20 30 DIEDRO CCc1cccc2cc(C[NH2+]Cc3ccc(C#N)c(F)c3)oc21 ZINC001182368711 1049636384 /nfs/dbraw/zinc/63/63/84/1049636384.db2.gz GQMKEJCTVRGBPB-UHFFFAOYSA-N 1 0 308.356 4.296 20 30 DIEDRO COc1cccc(C2([NH2+]Cc3c(C)cc(C#N)cc3C)CCC2)c1 ZINC001196376522 1049647580 /nfs/dbraw/zinc/64/75/80/1049647580.db2.gz XBOOLQRDFQHWMF-UHFFFAOYSA-N 1 0 320.436 4.353 20 30 DIEDRO CC[N@H+](Cc1cccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000119992816 1049650339 /nfs/dbraw/zinc/65/03/39/1049650339.db2.gz AAUWCTGEWRYKNC-AWEZNQCLSA-N 1 0 300.427 4.061 20 30 DIEDRO Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000488414483 1049651800 /nfs/dbraw/zinc/65/18/00/1049651800.db2.gz FGXOZRBWESCHJO-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001206094833 1049652111 /nfs/dbraw/zinc/65/21/11/1049652111.db2.gz XBHZMYRMJDAUOS-UHFFFAOYSA-N 1 0 324.211 4.152 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001206094282 1049652196 /nfs/dbraw/zinc/65/21/96/1049652196.db2.gz FDBCIXUOTNNQKO-UHFFFAOYSA-N 1 0 324.211 4.152 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccccc3C3CC3)CC2)nc1 ZINC001196419366 1049655677 /nfs/dbraw/zinc/65/56/77/1049655677.db2.gz MKGRWRYKVMRMCN-UHFFFAOYSA-N 1 0 317.436 4.210 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)cc1 ZINC001206109212 1049656317 /nfs/dbraw/zinc/65/63/17/1049656317.db2.gz NMLMFHMIBBETQJ-QGZVFWFLSA-N 1 0 323.436 4.488 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(NCCC)cc2)cc1 ZINC000774386447 1049656715 /nfs/dbraw/zinc/65/67/15/1049656715.db2.gz XJHRUAFOJPNRKF-KRWDZBQOSA-N 1 0 322.452 4.371 20 30 DIEDRO C=CCCCCC[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000488454767 1049657681 /nfs/dbraw/zinc/65/76/81/1049657681.db2.gz ZNMVWGZWQIRDPT-UHFFFAOYSA-N 1 0 302.462 4.318 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000775723833 1049666126 /nfs/dbraw/zinc/66/61/26/1049666126.db2.gz NWDLDOYBIUOSKE-RBUKOAKNSA-N 1 0 317.379 4.214 20 30 DIEDRO N#Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000589499910 1049666441 /nfs/dbraw/zinc/66/64/41/1049666441.db2.gz KHORBXPADOLZHU-OKILXGFUSA-N 1 0 308.347 4.199 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000774476934 1049672524 /nfs/dbraw/zinc/67/25/24/1049672524.db2.gz JSAUVUHXYCXOBP-MSOLQXFVSA-N 1 0 316.489 4.309 20 30 DIEDRO C[C@@H]([NH2+]CCOCCC#N)c1ccccc1Oc1ccccc1 ZINC000339070276 1049672757 /nfs/dbraw/zinc/67/27/57/1049672757.db2.gz KUZCPYGLQWVOJU-MRXNPFEDSA-N 1 0 310.397 4.060 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000774479854 1049673768 /nfs/dbraw/zinc/67/37/68/1049673768.db2.gz RNIFGIHWHFCBOC-HZPDHXFCSA-N 1 0 316.445 4.429 20 30 DIEDRO N#CCc1cccc2c1CC[N@H+](Cc1cc3ccccc3o1)C2 ZINC001196622613 1049676546 /nfs/dbraw/zinc/67/65/46/1049676546.db2.gz JIFKGSALYSSODW-UHFFFAOYSA-N 1 0 302.377 4.057 20 30 DIEDRO C[C@]12CCCC[C@H]1C[N@@H+]2CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001196675591 1049681865 /nfs/dbraw/zinc/68/18/65/1049681865.db2.gz NOHVDEBRUFGXEV-RDJZCZTQSA-N 1 0 323.358 4.201 20 30 DIEDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)CC#N ZINC001206224067 1049684967 /nfs/dbraw/zinc/68/49/67/1049684967.db2.gz LAVAJBCGJVVVCV-HNNXBMFYSA-N 1 0 323.278 4.300 20 30 DIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)CC#N ZINC001206224068 1049685647 /nfs/dbraw/zinc/68/56/47/1049685647.db2.gz LAVAJBCGJVVVCV-OAHLLOKOSA-N 1 0 323.278 4.300 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1c2sccc2OC(C)(C)[C@H]1O ZINC001206233317 1049686928 /nfs/dbraw/zinc/68/69/28/1049686928.db2.gz URAODKGIZUSSNF-BJJXKVORSA-N 1 0 309.475 4.046 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)CC(=O)N3)cc1 ZINC001206235771 1049687148 /nfs/dbraw/zinc/68/71/48/1049687148.db2.gz JOEXSFNRGXHCRB-FQEVSTJZSA-N 1 0 318.420 4.171 20 30 DIEDRO Cc1c(Br)cccc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC001182616917 1049695092 /nfs/dbraw/zinc/69/50/92/1049695092.db2.gz YGDFRCREDDIKRD-LLVKDONJSA-N 1 0 309.251 4.176 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000794796414 1049696969 /nfs/dbraw/zinc/69/69/69/1049696969.db2.gz KEPLFLKJSLKDQE-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO C[C@H](C[NH2+]CC1(C#N)CCCC1)c1cccc(Br)c1 ZINC001182684857 1049699204 /nfs/dbraw/zinc/69/92/04/1049699204.db2.gz ODHZPAJWKQNBKK-CYBMUJFWSA-N 1 0 321.262 4.226 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001196898891 1049703493 /nfs/dbraw/zinc/70/34/93/1049703493.db2.gz IMGXEAKENLBXHO-NOOVBMIQSA-N 1 0 302.421 4.355 20 30 DIEDRO C=CCC1([NH2+]C[C@H]2CN(C3CCCCC3)C(=O)O2)CCCCC1 ZINC001196951968 1049707558 /nfs/dbraw/zinc/70/75/58/1049707558.db2.gz BDNLQTQUOUYDFR-KRWDZBQOSA-N 1 0 320.477 4.009 20 30 DIEDRO C=CCC1([NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)CCCCC1 ZINC001196952051 1049709330 /nfs/dbraw/zinc/70/93/30/1049709330.db2.gz BRKYARDPQVWMEN-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CCC1([NH2+][C@H](C)Cc2ccccc2SCC)CCOCC1 ZINC001182795862 1049709733 /nfs/dbraw/zinc/70/97/33/1049709733.db2.gz MFLUIHIWVPKJQJ-MRXNPFEDSA-N 1 0 319.514 4.445 20 30 DIEDRO C=CCC1([NH2+]Cc2noc(-c3ccccc3C)n2)CCCCC1 ZINC001196952249 1049710200 /nfs/dbraw/zinc/71/02/00/1049710200.db2.gz DTCRMNSEDQCLLB-UHFFFAOYSA-N 1 0 311.429 4.414 20 30 DIEDRO C=CCC1([NH2+]CCc2ccc(C(C)(C)C)cc2)CCOCC1 ZINC001182796276 1049712063 /nfs/dbraw/zinc/71/20/63/1049712063.db2.gz SVYGIDMNOLZRNE-UHFFFAOYSA-N 1 0 301.474 4.242 20 30 DIEDRO COc1ccc(C[C@H]2CCCC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001182765163 1049713728 /nfs/dbraw/zinc/71/37/28/1049713728.db2.gz QYWILCYSRSMCRE-OAQYLSRUSA-N 1 0 319.448 4.144 20 30 DIEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1csc(C#N)c1 ZINC001206343684 1049716570 /nfs/dbraw/zinc/71/65/70/1049716570.db2.gz SFADKXHYZRXXAD-SFHVURJKSA-N 1 0 314.429 4.356 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001197144208 1049722651 /nfs/dbraw/zinc/72/26/51/1049722651.db2.gz DXQOGYWZCOARKV-IAGOWNOFSA-N 1 0 324.509 4.431 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001206385225 1049723723 /nfs/dbraw/zinc/72/37/23/1049723723.db2.gz TVWSWSRTUVFSNG-ROUUACIJSA-N 1 0 316.489 4.246 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001206385221 1049724132 /nfs/dbraw/zinc/72/41/32/1049724132.db2.gz TVWSWSRTUVFSNG-MSOLQXFVSA-N 1 0 316.489 4.246 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197219882 1049728809 /nfs/dbraw/zinc/72/88/09/1049728809.db2.gz CPARJUQOFKJFDA-DNVCBOLYSA-N 1 0 324.509 4.214 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001197237956 1049729629 /nfs/dbraw/zinc/72/96/29/1049729629.db2.gz BKFWYGRFHXYYAX-MRXNPFEDSA-N 1 0 312.498 4.336 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1(C#N)CCCC1 ZINC001206517027 1049749089 /nfs/dbraw/zinc/74/90/89/1049749089.db2.gz KKHPREGUKNEUDY-ZDUSSCGKSA-N 1 0 321.262 4.054 20 30 DIEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000489403102 1049751546 /nfs/dbraw/zinc/75/15/46/1049751546.db2.gz NKUZXIXDRFSSSH-IBGZPJMESA-N 1 0 308.425 4.201 20 30 DIEDRO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001206569125 1049759001 /nfs/dbraw/zinc/75/90/01/1049759001.db2.gz SHOXZMMABDHLBD-AWEZNQCLSA-N 1 0 314.429 4.310 20 30 DIEDRO N#Cc1ccc(Oc2cccc(Nc3cc[nH+]c(N)c3)c2)cc1 ZINC001206584757 1049762987 /nfs/dbraw/zinc/76/29/87/1049762987.db2.gz PLKOJYSKOIZCFQ-UHFFFAOYSA-N 1 0 302.337 4.071 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000489600405 1049771044 /nfs/dbraw/zinc/77/10/44/1049771044.db2.gz WGFQTXGSJCLERF-FQEVSTJZSA-N 1 0 308.400 4.295 20 30 DIEDRO CC(C)C[C@H](C[NH2+]C1CCC(C#N)CC1)CC(=O)OC(C)(C)C ZINC001206735060 1049786746 /nfs/dbraw/zinc/78/67/46/1049786746.db2.gz SJLDSAPTYGMXIM-CGZBRXJRSA-N 1 0 322.493 4.052 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c(Cl)c1 ZINC000489903066 1049788349 /nfs/dbraw/zinc/78/83/49/1049788349.db2.gz XWFTVEDVZTXHSS-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO COc1cc(C)ccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001206783007 1049799793 /nfs/dbraw/zinc/79/97/93/1049799793.db2.gz LHSCEAVROKVJBW-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1ccc(F)cc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000490406298 1049830902 /nfs/dbraw/zinc/83/09/02/1049830902.db2.gz ZKDBXUDOKPIMRL-UHFFFAOYSA-N 1 0 306.384 4.295 20 30 DIEDRO CC[C@H]1CCCCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490436897 1049832080 /nfs/dbraw/zinc/83/20/80/1049832080.db2.gz UIXKBWABCFSIAK-IBGZPJMESA-N 1 0 322.456 4.113 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207184748 1049852656 /nfs/dbraw/zinc/85/26/56/1049852656.db2.gz GELROPOCAYDBIV-MJGOQNOKSA-N 1 0 310.828 4.447 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207183806 1049854214 /nfs/dbraw/zinc/85/42/14/1049854214.db2.gz YYXBLPLZKDFJNJ-UYAOXDASSA-N 1 0 322.839 4.373 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC001207195773 1049859505 /nfs/dbraw/zinc/85/95/05/1049859505.db2.gz DCXIIXIXNKOEJQ-CYBMUJFWSA-N 1 0 311.267 4.459 20 30 DIEDRO C=CC[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC001207220344 1049865126 /nfs/dbraw/zinc/86/51/26/1049865126.db2.gz ZRKMAUKMSVTHLZ-UHFFFAOYSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CC[N@@H+](CCC12CC(NC(=O)OC(C)(C)C)(C1)C2)C(C)(C)C ZINC001207230618 1049866003 /nfs/dbraw/zinc/86/60/03/1049866003.db2.gz ADPOLYVWNOFPGG-UHFFFAOYSA-N 1 0 322.493 4.110 20 30 DIEDRO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001207244148 1049868836 /nfs/dbraw/zinc/86/88/36/1049868836.db2.gz YKILISZLQNHPFU-LEWJYISDSA-N 1 0 304.437 4.026 20 30 DIEDRO CC(C)(C)c1ccc(CC[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001207243617 1049869071 /nfs/dbraw/zinc/86/90/71/1049869071.db2.gz OYUNNAVKMBIKPF-OAQYLSRUSA-N 1 0 318.464 4.155 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cccc(Cl)c1 ZINC001207243573 1049869955 /nfs/dbraw/zinc/86/99/55/1049869955.db2.gz NUNYSIJZDXUIEW-DJJJIMSYSA-N 1 0 310.828 4.072 20 30 DIEDRO C=CC[N@@H+](CCc1c(Cl)ncnc1Cl)Cc1ccccc1 ZINC001207331635 1049880641 /nfs/dbraw/zinc/88/06/41/1049880641.db2.gz PDTBMWYGGUXJSI-UHFFFAOYSA-N 1 0 322.239 4.014 20 30 DIEDRO CCCC[N@H+](CCC#N)CCc1ccc(Br)cc1 ZINC001207381205 1049886297 /nfs/dbraw/zinc/88/62/97/1049886297.db2.gz HKHNZZLVBQMNFV-UHFFFAOYSA-N 1 0 309.251 4.007 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001207406789 1049887468 /nfs/dbraw/zinc/88/74/68/1049887468.db2.gz KBCGHRIQDHWYAL-OALUTQOASA-N 1 0 318.505 4.280 20 30 DIEDRO C=C1CCC(C[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2)CC1 ZINC001207494391 1049899265 /nfs/dbraw/zinc/89/92/65/1049899265.db2.gz YZVMPEVDOQTVJK-MRXNPFEDSA-N 1 0 300.446 4.048 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)cc1C#N ZINC001207501869 1049901173 /nfs/dbraw/zinc/90/11/73/1049901173.db2.gz MZDWNNTZQNEYRD-NQIIRXRSSA-N 1 0 304.437 4.368 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)cc1C#N ZINC001207502760 1049901395 /nfs/dbraw/zinc/90/13/95/1049901395.db2.gz ZVSXFFIOFKLMKK-SFTDATJTSA-N 1 0 304.437 4.467 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC001207520079 1049902653 /nfs/dbraw/zinc/90/26/53/1049902653.db2.gz WDVMUITUQQZECL-HNNXBMFYSA-N 1 0 310.363 4.264 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)c1ccc(Br)cc1 ZINC001207689602 1049927873 /nfs/dbraw/zinc/92/78/73/1049927873.db2.gz VQSOWAWYWRIWSK-CHWSQXEVSA-N 1 0 323.278 4.471 20 30 DIEDRO CC(C)(C)C[NH+](Cc1cnc2ccc(C#N)cn12)CC(C)(C)C ZINC000571569263 1049936917 /nfs/dbraw/zinc/93/69/17/1049936917.db2.gz XXCQEAMHXOVYOA-UHFFFAOYSA-N 1 0 312.461 4.100 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](CC3(c4ccccc4)CC3)CC2)c1 ZINC001207838880 1049944439 /nfs/dbraw/zinc/94/44/39/1049944439.db2.gz XEEJFSFESXMGQS-UHFFFAOYSA-N 1 0 316.448 4.469 20 30 DIEDRO N#CCCN(C1CC[NH+](CC2CC2)CC1)C1CCCCCCC1 ZINC001168380745 1049945694 /nfs/dbraw/zinc/94/56/94/1049945694.db2.gz TVOVIRWTBFWKJN-UHFFFAOYSA-N 1 0 317.521 4.189 20 30 DIEDRO CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1C(C)(C)C#N ZINC000571746004 1049947237 /nfs/dbraw/zinc/94/72/37/1049947237.db2.gz KAOMGCVTGFIRMK-UHFFFAOYSA-N 1 0 324.472 4.140 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC001207894191 1049950131 /nfs/dbraw/zinc/95/01/31/1049950131.db2.gz CWAUSCBRSHVIGE-LAUBAEHRSA-N 1 0 320.436 4.300 20 30 DIEDRO C=CCCCCCCCCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001207899279 1049950284 /nfs/dbraw/zinc/95/02/84/1049950284.db2.gz SZOGTAKONNOMGH-GOSISDBHSA-N 1 0 304.482 4.222 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC001207894760 1049950482 /nfs/dbraw/zinc/95/04/82/1049950482.db2.gz WKMPWVSYMXFFTM-DYESRHJHSA-N 1 0 320.436 4.300 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001208118045 1049974566 /nfs/dbraw/zinc/97/45/66/1049974566.db2.gz BROZTUDMTKTTNB-CSKARUKUSA-N 1 0 320.521 4.380 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000588204792 1049975905 /nfs/dbraw/zinc/97/59/05/1049975905.db2.gz QQRFJFCTMINPOG-UZLBHIALSA-N 1 0 319.452 4.466 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000588203923 1049975938 /nfs/dbraw/zinc/97/59/38/1049975938.db2.gz YOWIYBMGUTZESS-LJQANCHMSA-N 1 0 305.425 4.220 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2CCCC[C@H]2C[NH+]2CCCC2)CC1 ZINC001208176578 1049981269 /nfs/dbraw/zinc/98/12/69/1049981269.db2.gz HXEBKPNEZNXREH-UXHICEINSA-N 1 0 302.506 4.239 20 30 DIEDRO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(CCC#N)CC1 ZINC000572360182 1050001337 /nfs/dbraw/zinc/00/13/37/1050001337.db2.gz KLWFAXXPNZCDTQ-OAHLLOKOSA-N 1 0 309.413 4.418 20 30 DIEDRO FC(F)(F)c1ccccc1CCC[NH+]1CCC(S)CC1 ZINC001208832014 1050013408 /nfs/dbraw/zinc/01/34/08/1050013408.db2.gz WGYWQZVZHJEAFU-UHFFFAOYSA-N 1 0 303.393 4.032 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001208831883 1050013423 /nfs/dbraw/zinc/01/34/23/1050013423.db2.gz VHQRVAFXLGSBMO-CQSZACIVSA-N 1 0 310.363 4.264 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001208850786 1050016368 /nfs/dbraw/zinc/01/63/68/1050016368.db2.gz ISEHTDXMFLOAML-LJQANCHMSA-N 1 0 308.400 4.119 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)CCCc1cccc(C#N)c1 ZINC001208851172 1050016798 /nfs/dbraw/zinc/01/67/98/1050016798.db2.gz SNLKYQZHAIVFAB-INIZCTEOSA-N 1 0 308.425 4.192 20 30 DIEDRO C[N@H+](CCCc1ccc(C#N)cc1)Cc1nc2ccccc2s1 ZINC001208856077 1050017042 /nfs/dbraw/zinc/01/70/42/1050017042.db2.gz KHVUVKXPSIMEAC-UHFFFAOYSA-N 1 0 321.449 4.233 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCc2ccc(C#N)cc2)cc1 ZINC001208858085 1050017844 /nfs/dbraw/zinc/01/78/44/1050017844.db2.gz ISGVHZAQCOAENQ-NRFANRHFSA-N 1 0 320.436 4.337 20 30 DIEDRO CC[N@H+](CCCc1ccc(C#N)cc1)Cc1cccc(OC)c1 ZINC001208862245 1050018231 /nfs/dbraw/zinc/01/82/31/1050018231.db2.gz FJUDNMMMKFHJTN-UHFFFAOYSA-N 1 0 308.425 4.022 20 30 DIEDRO CC[N@H+](CCCc1ccc(C#N)cc1)CCc1ccc(OC)cc1 ZINC001208864732 1050018769 /nfs/dbraw/zinc/01/87/69/1050018769.db2.gz RDPXBMQHLXBEIM-UHFFFAOYSA-N 1 0 322.452 4.064 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC001208863145 1050018819 /nfs/dbraw/zinc/01/88/19/1050018819.db2.gz YRZBUDPBOFXXNJ-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO COc1cccc([C@@H]2CCCC[N@@H+]2CCc2ccc(C#N)cc2)c1 ZINC001208926667 1050023385 /nfs/dbraw/zinc/02/33/85/1050023385.db2.gz YANROFLRRCWXEX-NRFANRHFSA-N 1 0 320.436 4.337 20 30 DIEDRO C=CC[N@@H+](CCCOc1ccc(OC)cc1)Cc1cccs1 ZINC000589260436 1050025710 /nfs/dbraw/zinc/02/57/10/1050025710.db2.gz JDTHSZXZIJNFJD-UHFFFAOYSA-N 1 0 317.454 4.214 20 30 DIEDRO N#Cc1csc(C[NH2+]CCc2ccc(-c3ccccc3)cc2)n1 ZINC000589315709 1050028648 /nfs/dbraw/zinc/02/86/48/1050028648.db2.gz XRZJECMLYYHEIC-UHFFFAOYSA-N 1 0 319.433 4.014 20 30 DIEDRO N#Cc1csc(C[NH2+]CCc2cccc(-c3ccccc3)c2)n1 ZINC000589314736 1050028702 /nfs/dbraw/zinc/02/87/02/1050028702.db2.gz POLXPYJCIDISPY-UHFFFAOYSA-N 1 0 319.433 4.014 20 30 DIEDRO CC(C)[C@H](C[NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000589319230 1050028953 /nfs/dbraw/zinc/02/89/53/1050028953.db2.gz MSPMOHINLRTPRB-HNNXBMFYSA-N 1 0 319.861 4.198 20 30 DIEDRO C=CC[N@@H+](C[C@H]1CC[C@H](C(=O)OCC)CC1)C1CCCCC1 ZINC001209012945 1050031135 /nfs/dbraw/zinc/03/11/35/1050031135.db2.gz KSNNYAHIHBJBEL-QAQDUYKDSA-N 1 0 307.478 4.177 20 30 DIEDRO COC(=O)CCCCCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209099160 1050035020 /nfs/dbraw/zinc/03/50/20/1050035020.db2.gz WNAHGCMWTUTDAY-NNZMDNLPSA-N 1 0 320.477 4.047 20 30 DIEDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589509402 1050036895 /nfs/dbraw/zinc/03/68/95/1050036895.db2.gz JKCCUXLQUYPXDQ-LBPRGKRZSA-N 1 0 319.330 4.131 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccc(C(F)(F)F)c1 ZINC001209117148 1050037291 /nfs/dbraw/zinc/03/72/91/1050037291.db2.gz AWQMAHAJYNJJFT-MKZZRHPPSA-N 1 0 308.347 4.014 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001209156931 1050040493 /nfs/dbraw/zinc/04/04/93/1050040493.db2.gz KQNGQTDCPCPCBO-LJQANCHMSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCC[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001209163739 1050040471 /nfs/dbraw/zinc/04/04/71/1050040471.db2.gz JVPWEKQFLIZCCS-UHFFFAOYSA-N 1 0 315.420 4.398 20 30 DIEDRO CC(C)(C#N)C[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000589511257 1050042468 /nfs/dbraw/zinc/04/24/68/1050042468.db2.gz BWMINVYCAZVUQC-UHFFFAOYSA-N 1 0 306.453 4.227 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001209207428 1050044956 /nfs/dbraw/zinc/04/49/56/1050044956.db2.gz YTPULCOFVCQDPU-WKILWMFISA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCCCC[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC001209206812 1050044984 /nfs/dbraw/zinc/04/49/84/1050044984.db2.gz BHNUZHVCRKICRF-QGZVFWFLSA-N 1 0 302.462 4.390 20 30 DIEDRO C=CCCCC[NH+]1CCC2(CC1)CC(=O)c1cc(C)ccc1O2 ZINC001209206837 1050045037 /nfs/dbraw/zinc/04/50/37/1050045037.db2.gz BVPFHGTXMNMAQA-UHFFFAOYSA-N 1 0 313.441 4.151 20 30 DIEDRO C=CCCCC[NH+]1CCC2(CC1)OC(=O)c1cc(Cl)ccc12 ZINC001209207091 1050045044 /nfs/dbraw/zinc/04/50/44/1050045044.db2.gz LEEGISGOIZDOKH-UHFFFAOYSA-N 1 0 319.832 4.158 20 30 DIEDRO Cc1ccc(CC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cc1 ZINC001168393306 1050051683 /nfs/dbraw/zinc/05/16/83/1050051683.db2.gz PDLXTFXFKYWKIW-UHFFFAOYSA-N 1 0 321.439 4.440 20 30 DIEDRO C=CCCCCC[NH+]1CCC(C(=O)c2cccc(OC)c2)CC1 ZINC001209423170 1050057237 /nfs/dbraw/zinc/05/72/37/1050057237.db2.gz HNTREIJNBOOEIY-UHFFFAOYSA-N 1 0 315.457 4.336 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001209423392 1050057504 /nfs/dbraw/zinc/05/75/04/1050057504.db2.gz NWNACIVREMZXAP-IRXDYDNUSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001209428773 1050057997 /nfs/dbraw/zinc/05/79/97/1050057997.db2.gz MTXSWNCHKFUJQF-UHFFFAOYSA-N 1 0 312.501 4.331 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001209431710 1050058757 /nfs/dbraw/zinc/05/87/57/1050058757.db2.gz RNUXAZRWHFOMNB-LSDHHAIUSA-N 1 0 307.400 4.148 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000589749306 1050058860 /nfs/dbraw/zinc/05/88/60/1050058860.db2.gz BGXGWIIYJVAWGK-CVEARBPZSA-N 1 0 310.363 4.420 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC001209438235 1050059101 /nfs/dbraw/zinc/05/91/01/1050059101.db2.gz CMTXIOIXSHHSLZ-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC001209438913 1050059359 /nfs/dbraw/zinc/05/93/59/1050059359.db2.gz XZSLGRYSNVJSCK-UHFFFAOYSA-N 1 0 306.425 4.200 20 30 DIEDRO C=CCCCCCCCC[N@H+]1CCC[C@@H](c2nnc(C)o2)C1 ZINC001209445694 1050060500 /nfs/dbraw/zinc/06/05/00/1050060500.db2.gz MIOWOTXZRBNVAU-QGZVFWFLSA-N 1 0 305.466 4.474 20 30 DIEDRO N#CCC[N@@H+](Cc1cccc2[nH]cc(Cl)c21)C1CCCC1 ZINC001209653884 1050074249 /nfs/dbraw/zinc/07/42/49/1050074249.db2.gz DMVUVFHXDXYCEK-UHFFFAOYSA-N 1 0 301.821 4.480 20 30 DIEDRO C=CC[N@@H+](C)Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC001209669922 1050076090 /nfs/dbraw/zinc/07/60/90/1050076090.db2.gz ZAJMZDPBJIXLMB-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000590122673 1050078274 /nfs/dbraw/zinc/07/82/74/1050078274.db2.gz ZCVYPWPVGPCFBB-HXUWFJFHSA-N 1 0 303.409 4.391 20 30 DIEDRO C=CCC[N@@H+](Cc1cn2cccc(C)c2n1)Cc1ccccc1 ZINC001209738893 1050079697 /nfs/dbraw/zinc/07/96/97/1050079697.db2.gz CLMOZBHHFPOBAU-UHFFFAOYSA-N 1 0 305.425 4.221 20 30 DIEDRO C=C(C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1)c1ccccc1 ZINC000590183929 1050080380 /nfs/dbraw/zinc/08/03/80/1050080380.db2.gz FHVSIRWDRSJCPP-HKUYNNGSSA-N 1 0 315.457 4.192 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2cc(Cl)cnc2C#N)cc1 ZINC001209821337 1050088391 /nfs/dbraw/zinc/08/83/91/1050088391.db2.gz CCUDDJSHLDJTDR-UHFFFAOYSA-N 1 0 314.820 4.192 20 30 DIEDRO C[C@]1(C#N)CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000590362427 1050089953 /nfs/dbraw/zinc/08/99/53/1050089953.db2.gz HFDMKEDUMYVBRH-OAQYLSRUSA-N 1 0 304.437 4.444 20 30 DIEDRO Cc1cc(C)c(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1C ZINC001209831961 1050090742 /nfs/dbraw/zinc/09/07/42/1050090742.db2.gz UQFLWCCBPLYJCW-UHFFFAOYSA-N 1 0 311.454 4.277 20 30 DIEDRO CC(C)(C)CN(CCC#N)Cc1cc2cc(Cl)cnc2o1 ZINC000590638908 1050100763 /nfs/dbraw/zinc/10/07/63/1050100763.db2.gz OKZNEJHQESZRKB-UHFFFAOYSA-N 1 0 305.809 4.243 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000590653743 1050101489 /nfs/dbraw/zinc/10/14/89/1050101489.db2.gz LOBJOUQGHREVFK-XTXLOEGASA-N 1 0 324.468 4.406 20 30 DIEDRO CO[C@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1Cl ZINC000590646680 1050101504 /nfs/dbraw/zinc/10/15/04/1050101504.db2.gz KQLWCWRZFWQIMI-BLDCVEFLSA-N 1 0 306.837 4.090 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000590653742 1050101794 /nfs/dbraw/zinc/10/17/94/1050101794.db2.gz LOBJOUQGHREVFK-CNBHCMJISA-N 1 0 324.468 4.406 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(C#N)cc1 ZINC000590780108 1050106629 /nfs/dbraw/zinc/10/66/29/1050106629.db2.gz IIGUZPPCAFSBOG-GPANFISMSA-N 1 0 308.372 4.149 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC(OC(F)F)CC1 ZINC000590780143 1050106878 /nfs/dbraw/zinc/10/68/78/1050106878.db2.gz NYGWNTRFSHTJOU-DQPZFDDXSA-N 1 0 320.383 4.076 20 30 DIEDRO Fc1cccc(OC(F)(F)F)c1C[NH2+]CCCC(F)(F)F ZINC000573029538 1050116573 /nfs/dbraw/zinc/11/65/73/1050116573.db2.gz QENQBHRVJSDVSK-UHFFFAOYSA-N 1 0 319.220 4.156 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3ncccc3Cl)CC2)C1 ZINC000733747184 1050150127 /nfs/dbraw/zinc/15/01/27/1050150127.db2.gz LDSCAUXCXXEOGT-UKRRQHHQSA-N 1 0 320.868 4.177 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4c(Cl)cccc4C3)CC2)cc1 ZINC001171027228 1050150613 /nfs/dbraw/zinc/15/06/13/1050150613.db2.gz RGTNBJFAVKRTGF-KRWDZBQOSA-N 1 0 322.839 4.348 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@H+]2CC=C(C(C)(C)C)CC2)cc1 ZINC000770382211 1050152531 /nfs/dbraw/zinc/15/25/31/1050152531.db2.gz DAFREJIBLXNHAM-UHFFFAOYSA-N 1 0 311.473 4.215 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733778775 1050154823 /nfs/dbraw/zinc/15/48/23/1050154823.db2.gz HCRSAZZAXFIDAJ-RBUKOAKNSA-N 1 0 322.537 4.460 20 30 DIEDRO N#CC1(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000573277673 1050156126 /nfs/dbraw/zinc/15/61/26/1050156126.db2.gz VUZUZCSFCGWHGN-UHFFFAOYSA-N 1 0 302.830 4.462 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000823831086 1050158062 /nfs/dbraw/zinc/15/80/62/1050158062.db2.gz PNSVGJKYPIOTIT-OXJNMPFZSA-N 1 0 320.436 4.187 20 30 DIEDRO C=CC[C@@H]([NH2+]C[C@H](C)c1cc(F)cc(F)c1)c1ccncc1 ZINC000823887653 1050165709 /nfs/dbraw/zinc/16/57/09/1050165709.db2.gz MRXUFXMKIHYBJY-SCLBCKFNSA-N 1 0 302.368 4.370 20 30 DIEDRO C=CCOCCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000347970262 1050166182 /nfs/dbraw/zinc/16/61/82/1050166182.db2.gz MVAXFFNFLSYIOA-HNNXBMFYSA-N 1 0 302.443 4.026 20 30 DIEDRO C=CCOCCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000348047072 1050175029 /nfs/dbraw/zinc/17/50/29/1050175029.db2.gz KXADCNHBOXXCAU-CQSZACIVSA-N 1 0 305.315 4.002 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000591579995 1050179589 /nfs/dbraw/zinc/17/95/89/1050179589.db2.gz DNJSHYDJYQZHND-OAQYLSRUSA-N 1 0 317.436 4.084 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000573536691 1050204078 /nfs/dbraw/zinc/20/40/78/1050204078.db2.gz SOSIIEDTMZPLHL-ZDUSSCGKSA-N 1 0 303.381 4.191 20 30 DIEDRO C[C@H]1CCCC[C@H]1CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000734005150 1050211590 /nfs/dbraw/zinc/21/15/90/1050211590.db2.gz XWBBNDTZEXAWRD-HKUYNNGSSA-N 1 0 313.489 4.342 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2coc3ccccc23)cc1 ZINC000734004067 1050213092 /nfs/dbraw/zinc/21/30/92/1050213092.db2.gz KSWZHZQBLKKOLV-AWEZNQCLSA-N 1 0 306.365 4.013 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001171058917 1050221534 /nfs/dbraw/zinc/22/15/34/1050221534.db2.gz MSIJEENVDSJZBG-ZDUSSCGKSA-N 1 0 309.240 4.134 20 30 DIEDRO CCCC[NH+](CCCC)CCNc1ncc(CC#N)cc1Cl ZINC001156905042 1050224060 /nfs/dbraw/zinc/22/40/60/1050224060.db2.gz CGHGOGYYOOSMDB-UHFFFAOYSA-N 1 0 322.884 4.115 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000591839117 1050225750 /nfs/dbraw/zinc/22/57/50/1050225750.db2.gz MKLRGOPGBXHZRH-YJBOKZPZSA-N 1 0 306.409 4.117 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H]2CCc3ccccc32)cc1 ZINC000824548496 1050226526 /nfs/dbraw/zinc/22/65/26/1050226526.db2.gz IHFYNYHOSBDJKG-VQIMIIECSA-N 1 0 320.436 4.187 20 30 DIEDRO Cc1cc(C#N)cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1 ZINC001210389715 1050228903 /nfs/dbraw/zinc/22/89/03/1050228903.db2.gz RMZNIIQHEBKRRC-UHFFFAOYSA-N 1 0 305.425 4.420 20 30 DIEDRO N#CCC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000573696464 1050245654 /nfs/dbraw/zinc/24/56/54/1050245654.db2.gz JBANULCYNILKFB-ROUUACIJSA-N 1 0 321.380 4.217 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000573696463 1050246387 /nfs/dbraw/zinc/24/63/87/1050246387.db2.gz JBANULCYNILKFB-QZTJIDSGSA-N 1 0 321.380 4.217 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC12CCC2 ZINC000771463749 1050252299 /nfs/dbraw/zinc/25/22/99/1050252299.db2.gz MAUYXSLJBUFVMI-CQSZACIVSA-N 1 0 318.848 4.254 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)nc1 ZINC000573859751 1050261356 /nfs/dbraw/zinc/26/13/56/1050261356.db2.gz ANUKEPFSPOSCLI-IBGZPJMESA-N 1 0 309.388 4.113 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592068091 1050268164 /nfs/dbraw/zinc/26/81/64/1050268164.db2.gz AOIHXOBYQDYQLS-PMACEKPBSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccncc1C#N)C1CCCC1 ZINC000592121143 1050271077 /nfs/dbraw/zinc/27/10/77/1050271077.db2.gz FSMITXNTTAXHKP-INIZCTEOSA-N 1 0 305.425 4.459 20 30 DIEDRO COc1ccccc1C1([NH2+]Cc2ccccc2C(C)(C)C#N)CC1 ZINC000592142704 1050272095 /nfs/dbraw/zinc/27/20/95/1050272095.db2.gz AYGQJHSEKSLBAV-UHFFFAOYSA-N 1 0 320.436 4.275 20 30 DIEDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000592153520 1050272319 /nfs/dbraw/zinc/27/23/19/1050272319.db2.gz FCVJDQAHOUHCSD-ZWKOTPCHSA-N 1 0 318.505 4.235 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccncc1 ZINC000734508693 1050278620 /nfs/dbraw/zinc/27/86/20/1050278620.db2.gz BVKWIHLFCZXJHN-HXUWFJFHSA-N 1 0 321.424 4.171 20 30 DIEDRO Cc1[nH+]c2ccc(F)cn2c1Nc1cc(Cl)cc(C#N)c1 ZINC001210538040 1050287570 /nfs/dbraw/zinc/28/75/70/1050287570.db2.gz REEZSNJQCMJGOR-UHFFFAOYSA-N 1 0 300.724 4.051 20 30 DIEDRO CCC[N@H+](CCC#N)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171081769 1050295522 /nfs/dbraw/zinc/29/55/22/1050295522.db2.gz FNKFZSMXYUVWKS-AWEZNQCLSA-N 1 0 311.256 4.476 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592391406 1050296308 /nfs/dbraw/zinc/29/63/08/1050296308.db2.gz FIKPANNELPZLDM-OAHLLOKOSA-N 1 0 310.466 4.195 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)s1 ZINC000592377555 1050296499 /nfs/dbraw/zinc/29/64/99/1050296499.db2.gz VSZXVYWFIYQSGE-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO COc1ccc([C@H](CC(C)C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000592386864 1050297753 /nfs/dbraw/zinc/29/77/53/1050297753.db2.gz MVLHABJFCBMNTF-FQEVSTJZSA-N 1 0 308.425 4.444 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc2n(n1)CCCC2 ZINC000592389805 1050297777 /nfs/dbraw/zinc/29/77/77/1050297777.db2.gz RBTYAPOBTKPREG-VQIMIIECSA-N 1 0 322.456 4.305 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000771894258 1050298050 /nfs/dbraw/zinc/29/80/50/1050298050.db2.gz SZGSJFOZTBCEMJ-LJQANCHMSA-N 1 0 309.384 4.005 20 30 DIEDRO CC(C)(C)n1cc(C#N)cc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210704088 1050339917 /nfs/dbraw/zinc/33/99/17/1050339917.db2.gz FOMYQFVXWFJCOJ-KRWDZBQOSA-N 1 0 312.461 4.059 20 30 DIEDRO N#Cc1ccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC001210708054 1050341704 /nfs/dbraw/zinc/34/17/04/1050341704.db2.gz HPEGYLMVXBRFEI-INIZCTEOSA-N 1 0 301.821 4.156 20 30 DIEDRO N#Cc1ccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c2cccnc12 ZINC001210710559 1050342608 /nfs/dbraw/zinc/34/26/08/1050342608.db2.gz BMTHSISXWSCHRE-QGZVFWFLSA-N 1 0 318.424 4.051 20 30 DIEDRO N#Cc1ccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC001210709424 1050342804 /nfs/dbraw/zinc/34/28/04/1050342804.db2.gz WMNNTJDCMKAXIA-HNNXBMFYSA-N 1 0 301.821 4.156 20 30 DIEDRO CC(C)Oc1ccnc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000593032286 1050363620 /nfs/dbraw/zinc/36/36/20/1050363620.db2.gz VFMUZRWRAMACQK-HXUWFJFHSA-N 1 0 323.440 4.394 20 30 DIEDRO COc1ccc(C[C@H]2CCCC[N@@H+]2CCC(C)(C)C#N)cc1 ZINC000593080085 1050377648 /nfs/dbraw/zinc/37/76/48/1050377648.db2.gz DTDHBTYRHRWEDG-QGZVFWFLSA-N 1 0 300.446 4.032 20 30 DIEDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(OCC#N)cc2)cc1 ZINC000844231693 1050381709 /nfs/dbraw/zinc/38/17/09/1050381709.db2.gz UVMAVXLEZHNPDM-MRXNPFEDSA-N 1 0 306.409 4.240 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)C2CCOCC2)cc1Cl ZINC000785606272 1050393785 /nfs/dbraw/zinc/39/37/85/1050393785.db2.gz JIEHNDXFEDQKHW-UHFFFAOYSA-N 1 0 323.864 4.200 20 30 DIEDRO CC1(C)Cc2cc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000785615670 1050399813 /nfs/dbraw/zinc/39/98/13/1050399813.db2.gz RZOYJWCQFBCNKD-IBGZPJMESA-N 1 0 318.420 4.049 20 30 DIEDRO COc1cccc2cc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)oc21 ZINC000785617833 1050399847 /nfs/dbraw/zinc/39/98/47/1050399847.db2.gz WASYZOCFHWMVNF-SFHVURJKSA-N 1 0 318.376 4.090 20 30 DIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000058754240 1050408110 /nfs/dbraw/zinc/40/81/10/1050408110.db2.gz NLNMFFSMMKIFQR-UHFFFAOYSA-N 1 0 314.816 4.113 20 30 DIEDRO CC(C)c1[nH+]c(CNc2cccc(CC#N)c2)c2ccccn21 ZINC000593634103 1050428987 /nfs/dbraw/zinc/42/89/87/1050428987.db2.gz KKEAUMVTGCLFBD-UHFFFAOYSA-N 1 0 304.397 4.136 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000593626346 1050429402 /nfs/dbraw/zinc/42/94/02/1050429402.db2.gz YTNGAJHZBZSCKM-QOZQQMKHSA-N 1 0 306.812 4.386 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Oc3ccccc3F)c2)C1 ZINC000593642355 1050430100 /nfs/dbraw/zinc/43/01/00/1050430100.db2.gz HBJWWWQJOGABSS-GOEBONIOSA-N 1 0 310.372 4.400 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1(C#N)CCCC1)CC3 ZINC000593653251 1050433053 /nfs/dbraw/zinc/43/30/53/1050433053.db2.gz GWLCMBSVQSDYCI-OAHLLOKOSA-N 1 0 307.441 4.007 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC(C)(C)CCC#N)c2ccccn2)cc1 ZINC000593711732 1050435436 /nfs/dbraw/zinc/43/54/36/1050435436.db2.gz VHFWJZCNGSVHIC-IBGZPJMESA-N 1 0 323.440 4.099 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000593719886 1050437667 /nfs/dbraw/zinc/43/76/67/1050437667.db2.gz IZGOMKMHAFRNDA-DOMZBBRYSA-N 1 0 308.347 4.366 20 30 DIEDRO CCc1cccc(C[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000593687625 1050438871 /nfs/dbraw/zinc/43/88/71/1050438871.db2.gz LKMFACHHYLTRLG-UHFFFAOYSA-N 1 0 308.425 4.221 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171129212 1050441018 /nfs/dbraw/zinc/44/10/18/1050441018.db2.gz KEWLLVPKZVZPAG-IBGZPJMESA-N 1 0 310.828 4.201 20 30 DIEDRO CC#Cc1cncc(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001211058090 1050460861 /nfs/dbraw/zinc/46/08/61/1050460861.db2.gz JTKVTKJSEDWNTC-UHFFFAOYSA-N 1 0 305.425 4.183 20 30 DIEDRO CC#Cc1cncc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c1 ZINC001211062559 1050462344 /nfs/dbraw/zinc/46/23/44/1050462344.db2.gz XZUIDVIBXAVRQO-UHFFFAOYSA-N 1 0 324.387 4.480 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001171139042 1050464713 /nfs/dbraw/zinc/46/47/13/1050464713.db2.gz IJYSSUGEHLWKLJ-ZDUSSCGKSA-N 1 0 309.240 4.134 20 30 DIEDRO N#CCCCC[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC000594019510 1050465600 /nfs/dbraw/zinc/46/56/00/1050465600.db2.gz NIGVVKJMYAASRY-UHFFFAOYSA-N 1 0 306.400 4.303 20 30 DIEDRO Cc1c(O)cccc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001144119222 1050470013 /nfs/dbraw/zinc/47/00/13/1050470013.db2.gz XWRWOMLOWAUUQQ-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO C=CCCC[N@@H+](C)Cn1c2ccccc2nc1SC(F)F ZINC000736581269 1050483258 /nfs/dbraw/zinc/48/32/58/1050483258.db2.gz AZLKFTYMRAFSQE-UHFFFAOYSA-N 1 0 311.401 4.207 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2cc(C#N)cc(C(F)(F)F)c2)cc1 ZINC001211131274 1050489784 /nfs/dbraw/zinc/48/97/84/1050489784.db2.gz RCKVOLITBGZJDH-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc2cccnc21 ZINC000046529131 1050492436 /nfs/dbraw/zinc/49/24/36/1050492436.db2.gz ZIHKRQMOCCPSNI-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000766221301 1050500696 /nfs/dbraw/zinc/50/06/96/1050500696.db2.gz GTQYQYRAKSGMSQ-ZDUSSCGKSA-N 1 0 314.410 4.387 20 30 DIEDRO CC(C)c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)c(C(C)C)c1 ZINC000594428449 1050510597 /nfs/dbraw/zinc/51/05/97/1050510597.db2.gz MDFDYGUWZWEHRF-QGZVFWFLSA-N 1 0 315.461 4.283 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2cccc(F)c2F)cc1 ZINC000594499099 1050517971 /nfs/dbraw/zinc/51/79/71/1050517971.db2.gz ANLFQYQSSZJBQW-UHFFFAOYSA-N 1 0 314.379 4.098 20 30 DIEDRO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001171154624 1050519035 /nfs/dbraw/zinc/51/90/35/1050519035.db2.gz AXBZVPDWCBSVLF-OAHLLOKOSA-N 1 0 310.482 4.110 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)cc1 ZINC000594498394 1050519145 /nfs/dbraw/zinc/51/91/45/1050519145.db2.gz PFWJWSIIYBMFNX-SFHVURJKSA-N 1 0 314.473 4.173 20 30 DIEDRO Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CC2 ZINC000594497631 1050519193 /nfs/dbraw/zinc/51/91/93/1050519193.db2.gz JDHJZLYIXAURGE-IBGZPJMESA-N 1 0 302.421 4.441 20 30 DIEDRO CCCCn1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c(C)n1 ZINC000594499927 1050519858 /nfs/dbraw/zinc/51/98/58/1050519858.db2.gz ICUQAUDFNZYTCC-UHFFFAOYSA-N 1 0 324.472 4.083 20 30 DIEDRO Cc1[nH+]c2cc(NCc3ccc(C(C)(C)C#N)cc3)ccc2n1C ZINC000594504212 1050520839 /nfs/dbraw/zinc/52/08/39/1050520839.db2.gz HHBJEVFSTYMVSJ-UHFFFAOYSA-N 1 0 318.424 4.295 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000594501006 1050521143 /nfs/dbraw/zinc/52/11/43/1050521143.db2.gz DKCCENWGSPVZMY-UHFFFAOYSA-N 1 0 303.409 4.259 20 30 DIEDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594506566 1050521468 /nfs/dbraw/zinc/52/14/68/1050521468.db2.gz BQEZOHRZEUETLT-PKOBYXMFSA-N 1 0 314.473 4.029 20 30 DIEDRO Cc1cc(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc(C)c1O ZINC000594500998 1050521505 /nfs/dbraw/zinc/52/15/05/1050521505.db2.gz DFHUHLJTEPAUKJ-UHFFFAOYSA-N 1 0 322.452 4.143 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)COC2 ZINC000594513803 1050524952 /nfs/dbraw/zinc/52/49/52/1050524952.db2.gz HQUNMRJUMPPLTP-HNNXBMFYSA-N 1 0 318.420 4.318 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594520121 1050527256 /nfs/dbraw/zinc/52/72/56/1050527256.db2.gz ZNGWPASFQXUCMA-QGZVFWFLSA-N 1 0 319.452 4.333 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517581 1050527512 /nfs/dbraw/zinc/52/75/12/1050527512.db2.gz ZHFZRFQSIUKTEN-OAHLLOKOSA-N 1 0 306.409 4.297 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CCC2)cc1 ZINC000594519096 1050528298 /nfs/dbraw/zinc/52/82/98/1050528298.db2.gz TYYSZKDOXSOGHC-NLWGTHIKSA-N 1 0 324.468 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594519776 1050528690 /nfs/dbraw/zinc/52/86/90/1050528690.db2.gz LKOGAQTVKBANRV-IEBWSBKVSA-N 1 0 310.441 4.017 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCCc4c(O)cccc43)CCC2)cc1 ZINC000594519187 1050529051 /nfs/dbraw/zinc/52/90/51/1050529051.db2.gz VEZHHKZYRGTMQI-LJQANCHMSA-N 1 0 318.420 4.310 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cnc(C4CCC4)s3)CCC2)cc1 ZINC000594520356 1050530336 /nfs/dbraw/zinc/53/03/36/1050530336.db2.gz NHLWPGFXWVBATA-UHFFFAOYSA-N 1 0 323.465 4.451 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(F)c(F)c(F)c3)CCC2)cc1 ZINC000594520376 1050530442 /nfs/dbraw/zinc/53/04/42/1050530442.db2.gz NTNKLOVTHGYOAE-UHFFFAOYSA-N 1 0 316.326 4.145 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594612362 1050540275 /nfs/dbraw/zinc/54/02/75/1050540275.db2.gz IIHUMHYWXNJBJF-UHFFFAOYSA-N 1 0 322.456 4.139 20 30 DIEDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000787028326 1050540949 /nfs/dbraw/zinc/54/09/49/1050540949.db2.gz DOSOVOOZYPXOHL-QVKFZJNVSA-N 1 0 319.452 4.352 20 30 DIEDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000787028332 1050541393 /nfs/dbraw/zinc/54/13/93/1050541393.db2.gz DOSOVOOZYPXOHL-YCRPNKLZSA-N 1 0 319.452 4.352 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000787029916 1050543960 /nfs/dbraw/zinc/54/39/60/1050543960.db2.gz ZAUCAPCELCIKMX-WOJBJXKFSA-N 1 0 318.420 4.221 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(C#N)cc2)cc1Cl ZINC000594708548 1050546969 /nfs/dbraw/zinc/54/69/69/1050546969.db2.gz AUIFXSNCNORJNI-CYBMUJFWSA-N 1 0 314.816 4.114 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CCC(C)(C)C#N)c2ccccc2)cc1 ZINC000594715402 1050549997 /nfs/dbraw/zinc/54/99/97/1050549997.db2.gz GYBRIXLWZFWINX-IBGZPJMESA-N 1 0 308.425 4.314 20 30 DIEDRO CC1(C#N)CC[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171171244 1050558615 /nfs/dbraw/zinc/55/86/15/1050558615.db2.gz DEVVIIXVUDKDSU-CQSZACIVSA-N 1 0 323.267 4.476 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594916417 1050561866 /nfs/dbraw/zinc/56/18/66/1050561866.db2.gz FBBGZKOJSMOJBC-INIZCTEOSA-N 1 0 320.436 4.410 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594921827 1050562544 /nfs/dbraw/zinc/56/25/44/1050562544.db2.gz UNCJZVQXTJJEMX-INIZCTEOSA-N 1 0 320.436 4.491 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccn1 ZINC000594923228 1050562657 /nfs/dbraw/zinc/56/26/57/1050562657.db2.gz XULVLRPUUCYPAB-SFHVURJKSA-N 1 0 305.425 4.268 20 30 DIEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594916725 1050562846 /nfs/dbraw/zinc/56/28/46/1050562846.db2.gz BECGVQQHGRUHQU-FQEVSTJZSA-N 1 0 302.421 4.327 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594920884 1050563073 /nfs/dbraw/zinc/56/30/73/1050563073.db2.gz ILOVNRGNWMQQKX-CQSZACIVSA-N 1 0 310.466 4.333 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000594918922 1050563491 /nfs/dbraw/zinc/56/34/91/1050563491.db2.gz CEPDEFQHAQNMOM-HNNXBMFYSA-N 1 0 308.400 4.274 20 30 DIEDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594923784 1050563946 /nfs/dbraw/zinc/56/39/46/1050563946.db2.gz LQDPEQYQYBUOHP-IAGOWNOFSA-N 1 0 300.471 4.006 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC3(c4cccc(F)c4)CC3)cc2)CC1 ZINC000594922686 1050564246 /nfs/dbraw/zinc/56/42/46/1050564246.db2.gz PVCODWSKHAWLAQ-UHFFFAOYSA-N 1 0 320.411 4.202 20 30 DIEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594921539 1050564501 /nfs/dbraw/zinc/56/45/01/1050564501.db2.gz CKFUFFCRLYKGOC-FOIQADDNSA-N 1 0 302.421 4.265 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000594929745 1050565185 /nfs/dbraw/zinc/56/51/85/1050565185.db2.gz XLFQJRJNIDVZFV-HXUWFJFHSA-N 1 0 302.421 4.409 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000594927608 1050565601 /nfs/dbraw/zinc/56/56/01/1050565601.db2.gz VWYPFVFDCCEDKL-HXUWFJFHSA-N 1 0 302.421 4.327 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3(c4ccccc4F)CC3)cc2)CC1 ZINC000594926619 1050566013 /nfs/dbraw/zinc/56/60/13/1050566013.db2.gz RNRSQHRJSVOSQX-UHFFFAOYSA-N 1 0 306.384 4.160 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000594926634 1050566607 /nfs/dbraw/zinc/56/66/07/1050566607.db2.gz RSHXGTPCNLKCCE-LJQANCHMSA-N 1 0 319.452 4.432 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171178885 1050573009 /nfs/dbraw/zinc/57/30/09/1050573009.db2.gz LKZLYYOWBYHMGE-INIZCTEOSA-N 1 0 308.425 4.066 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)CC1 ZINC000594969723 1050573396 /nfs/dbraw/zinc/57/33/96/1050573396.db2.gz ZIDBFVVWDHUJDN-UHFFFAOYSA-N 1 0 302.377 4.278 20 30 DIEDRO Cc1cc(C)cc(C[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000594972912 1050573944 /nfs/dbraw/zinc/57/39/44/1050573944.db2.gz FWMWGVJNOCDXJX-UHFFFAOYSA-N 1 0 308.425 4.276 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)Cc1ccc(F)cc1 ZINC001171178646 1050573876 /nfs/dbraw/zinc/57/38/76/1050573876.db2.gz IXAAKMAFQVAKED-OAHLLOKOSA-N 1 0 310.416 4.239 20 30 DIEDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594938629 1050575212 /nfs/dbraw/zinc/57/52/12/1050575212.db2.gz MOKIRJFNANZNLI-MSOLQXFVSA-N 1 0 314.498 4.396 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(OC2CC2)c1F ZINC000594939525 1050575467 /nfs/dbraw/zinc/57/54/67/1050575467.db2.gz RTIJRXLSJAELSL-SFHVURJKSA-N 1 0 322.383 4.016 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CCC4(CCCCC4)O3)cc2)CC1 ZINC000594938269 1050575575 /nfs/dbraw/zinc/57/55/75/1050575575.db2.gz LOMWKLGUDHDYJM-LJQANCHMSA-N 1 0 324.468 4.213 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001171179250 1050575786 /nfs/dbraw/zinc/57/57/86/1050575786.db2.gz PTNOWLGAIQJKAD-ZDUSSCGKSA-N 1 0 323.827 4.429 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3C[C@H](c4cccc(F)c4)C3)cc2)CC1 ZINC000594937473 1050576222 /nfs/dbraw/zinc/57/62/22/1050576222.db2.gz OYIPYUZPDKCCCD-IRJFHVNHSA-N 1 0 320.411 4.417 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1c(C)noc1C ZINC000594934743 1050576618 /nfs/dbraw/zinc/57/66/18/1050576618.db2.gz FWRHNAXOIMWOEV-QGZVFWFLSA-N 1 0 309.413 4.088 20 30 DIEDRO Cc1[nH]c2ccc(Nc3ccc(N4CCCC4)c(C#N)c3)cc2[nH+]1 ZINC001213075186 1050577031 /nfs/dbraw/zinc/57/70/31/1050577031.db2.gz HZQKGFDHRRTMQW-UHFFFAOYSA-N 1 0 317.396 4.087 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)CC(F)(F)F ZINC000594945598 1050577444 /nfs/dbraw/zinc/57/74/44/1050577444.db2.gz GBUMOPBMHKPEHK-ZDUSSCGKSA-N 1 0 310.363 4.310 20 30 DIEDRO COCc1csc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000594954848 1050580112 /nfs/dbraw/zinc/58/01/12/1050580112.db2.gz LIMVIBXOUSZZCM-KRWDZBQOSA-N 1 0 300.427 4.029 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccccc2Cl)CC1 ZINC001171183445 1050581263 /nfs/dbraw/zinc/58/12/63/1050581263.db2.gz DZSZZUUMUYDFJL-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO COc1ccc(C(C)(C)[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171185084 1050581900 /nfs/dbraw/zinc/58/19/00/1050581900.db2.gz OJACIHYDMCGACU-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO Cc1noc2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc12 ZINC001171182565 1050582501 /nfs/dbraw/zinc/58/25/01/1050582501.db2.gz PJYGENJZSBJWTB-UHFFFAOYSA-N 1 0 317.348 4.032 20 30 DIEDRO [NH2+]=C(Nc1ccccc1CS)c1ccc2cc(O)ccc2c1 ZINC001171182397 1050582566 /nfs/dbraw/zinc/58/25/66/1050582566.db2.gz MKXFDVMGWIMKQZ-UHFFFAOYSA-N 1 0 308.406 4.012 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC001171184384 1050583714 /nfs/dbraw/zinc/58/37/14/1050583714.db2.gz MHSHDBDJEBIYFF-HNNXBMFYSA-N 1 0 324.855 4.464 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)cc(Cl)cc1F ZINC001171184375 1050583990 /nfs/dbraw/zinc/58/39/90/1050583990.db2.gz MCTQWXJDKOMTND-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO [NH2+]=C(Nc1cccc2c1CCCC2)c1ccc2cc(O)ccc2c1 ZINC001171184929 1050584126 /nfs/dbraw/zinc/58/41/26/1050584126.db2.gz QJCYGGDCENJSIP-UHFFFAOYSA-N 1 0 316.404 4.461 20 30 DIEDRO N#CCCc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001171184243 1050584509 /nfs/dbraw/zinc/58/45/09/1050584509.db2.gz GJNCKUGMUCQOGM-UHFFFAOYSA-N 1 0 315.376 4.039 20 30 DIEDRO CCc1cc(OC)ccc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171184251 1050584808 /nfs/dbraw/zinc/58/48/08/1050584808.db2.gz GVAAKWOCIZFWFM-UHFFFAOYSA-N 1 0 320.392 4.153 20 30 DIEDRO COc1cc2ccc([C@@H](C)[NH2+]CCCCC#N)cc2cc1OC ZINC000595014424 1050585422 /nfs/dbraw/zinc/58/54/22/1050585422.db2.gz VRFUEVCPUMQBAB-CQSZACIVSA-N 1 0 312.413 4.201 20 30 DIEDRO N#CC1(C[NH2+]CC2CCC(C(F)(F)F)CC2)CCCCC1 ZINC000594982122 1050587947 /nfs/dbraw/zinc/58/79/47/1050587947.db2.gz ZKOSYKXQJRDKTR-UHFFFAOYSA-N 1 0 302.384 4.419 20 30 DIEDRO N#CC1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CCCCC1 ZINC000594981708 1050588042 /nfs/dbraw/zinc/58/80/42/1050588042.db2.gz SVXHMXWCHNHPCG-UHFFFAOYSA-N 1 0 313.832 4.452 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001171189176 1050588188 /nfs/dbraw/zinc/58/81/88/1050588188.db2.gz CCYJKVTXDKOAJS-BUXKBTBVSA-N 1 0 312.363 4.045 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+]CC1(C#N)CCCCC1 ZINC000594981356 1050589082 /nfs/dbraw/zinc/58/90/82/1050589082.db2.gz NPSXMWXLACSGMS-ATVHPVEESA-N 1 0 312.457 4.300 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1coc2ccccc12 ZINC001171189369 1050589757 /nfs/dbraw/zinc/58/97/57/1050589757.db2.gz DVKYHYMBSYLFOH-HNNXBMFYSA-N 1 0 304.393 4.068 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C1CCC(F)CC1 ZINC000594991068 1050590709 /nfs/dbraw/zinc/59/07/09/1050590709.db2.gz YVVYKSPWIWMMPL-FAEJEUNOSA-N 1 0 318.436 4.376 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)c1cc(F)cc(F)c1 ZINC001171189862 1050591141 /nfs/dbraw/zinc/59/11/41/1050591141.db2.gz NKTBLLJPKCFEQF-ZDUSSCGKSA-N 1 0 314.379 4.292 20 30 DIEDRO C[C@@H](Cc1coc2ccccc12)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055499 1050592823 /nfs/dbraw/zinc/59/28/23/1050592823.db2.gz FZVBCYHJGXPMPC-HNNXBMFYSA-N 1 0 304.393 4.068 20 30 DIEDRO C=CCCSCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000595060556 1050595105 /nfs/dbraw/zinc/59/51/05/1050595105.db2.gz VNKXAEIJPQQWDA-IAGOWNOFSA-N 1 0 304.503 4.315 20 30 DIEDRO CC(C)C[N@@H+](CCC#N)CCCOc1cccc2ccccc21 ZINC000739915412 1050594973 /nfs/dbraw/zinc/59/49/73/1050594973.db2.gz ZPBIYSOGHYYFKM-UHFFFAOYSA-N 1 0 310.441 4.480 20 30 DIEDRO CC[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000739926371 1050596257 /nfs/dbraw/zinc/59/62/57/1050596257.db2.gz FGCNEMXOQORELE-INIZCTEOSA-N 1 0 306.837 4.397 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]C3CCSCC3)c2)s1 ZINC000740011858 1050596921 /nfs/dbraw/zinc/59/69/21/1050596921.db2.gz UTIJEBHCIWLHLF-UHFFFAOYSA-N 1 0 314.479 4.272 20 30 DIEDRO Cc1noc(C)c1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000740013576 1050598090 /nfs/dbraw/zinc/59/80/90/1050598090.db2.gz GIRSKXBFHJHFEJ-UHFFFAOYSA-N 1 0 323.421 4.181 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000746681381 1050599777 /nfs/dbraw/zinc/59/97/77/1050599777.db2.gz YLOPPDIJCBNVOI-YWZLYKJASA-N 1 0 324.399 4.311 20 30 DIEDRO CCOC1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000595039304 1050600410 /nfs/dbraw/zinc/60/04/10/1050600410.db2.gz QZIICGBZDBBUDQ-CTWPCTMYSA-N 1 0 300.446 4.359 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2ccc(Cl)cc2C1 ZINC001171193313 1050600317 /nfs/dbraw/zinc/60/03/17/1050600317.db2.gz VMZCRQAIGOMXTQ-JLTOFOAXSA-N 1 0 324.855 4.290 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC001171193534 1050600606 /nfs/dbraw/zinc/60/06/06/1050600606.db2.gz XIPMCYVMEMJKQZ-MGPUTAFESA-N 1 0 303.409 4.102 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 ZINC000595049039 1050601585 /nfs/dbraw/zinc/60/15/85/1050601585.db2.gz TZYVUUJJASAFCH-BZNIZROVSA-N 1 0 313.351 4.229 20 30 DIEDRO COc1cccc(C2([NH2+][C@H](C)Cc3cccc(C#N)c3)CCC2)c1 ZINC001171194609 1050601915 /nfs/dbraw/zinc/60/19/15/1050601915.db2.gz KVAREJTYFBLQHP-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC001171192406 1050602314 /nfs/dbraw/zinc/60/23/14/1050602314.db2.gz MYDWESHVZVJOLD-OLZOCXBDSA-N 1 0 300.352 4.118 20 30 DIEDRO COc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1C ZINC000595108406 1050607998 /nfs/dbraw/zinc/60/79/98/1050607998.db2.gz ZGQJEHASBSSWME-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000595087099 1050610315 /nfs/dbraw/zinc/61/03/15/1050610315.db2.gz AULUMPZCYVJDLL-SFTDATJTSA-N 1 0 318.420 4.308 20 30 DIEDRO COc1cccc(C2([NH2+][C@H](C)c3ccc(C#N)cc3F)CCC2)c1 ZINC000595093234 1050612008 /nfs/dbraw/zinc/61/20/08/1050612008.db2.gz GNINFLYAZHRQBF-CQSZACIVSA-N 1 0 324.399 4.436 20 30 DIEDRO COc1cccc(C2([NH2+][C@H](C)c3ccc(C#N)cc3)CCC2)c1 ZINC000595093178 1050612038 /nfs/dbraw/zinc/61/20/38/1050612038.db2.gz GGIZCQQHJWJZBW-OAHLLOKOSA-N 1 0 306.409 4.297 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000595096615 1050613682 /nfs/dbraw/zinc/61/36/82/1050613682.db2.gz CQQMVHIXZYPOGX-IIIMJFFVSA-N 1 0 316.395 4.493 20 30 DIEDRO COCCCC[N@H+](CCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000595293507 1050616213 /nfs/dbraw/zinc/61/62/13/1050616213.db2.gz BCBRNPYMPPIJMM-UHFFFAOYSA-N 1 0 322.452 4.030 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001171198011 1050619895 /nfs/dbraw/zinc/61/98/95/1050619895.db2.gz GUCURBNGNQSFBS-XJKSGUPXSA-N 1 0 304.384 4.047 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(c3ccccc3OC)CC2)cc1 ZINC001144576423 1050620809 /nfs/dbraw/zinc/62/08/09/1050620809.db2.gz KQFGNIQZIGAXLU-UHFFFAOYSA-N 1 0 305.421 4.056 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Oc3cccc(C)c3)CC2)cc1 ZINC001144576630 1050621627 /nfs/dbraw/zinc/62/16/27/1050621627.db2.gz QZISRHLNNKISER-UHFFFAOYSA-N 1 0 305.421 4.020 20 30 DIEDRO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000595332389 1050621891 /nfs/dbraw/zinc/62/18/91/1050621891.db2.gz CVSKEWYIZRVPJG-PVAVHDDUSA-N 1 0 306.400 4.440 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001171200670 1050625475 /nfs/dbraw/zinc/62/54/75/1050625475.db2.gz ACWJUFFVPACEAC-TYCQWZJGSA-N 1 0 304.437 4.415 20 30 DIEDRO C[C@@H]([NH3+])c1cn([C@H](C)Cc2cccc(C#N)c2)c2ccccc12 ZINC001171200906 1050625612 /nfs/dbraw/zinc/62/56/12/1050625612.db2.gz DUEZPAIZDKEGMI-HUUCEWRRSA-N 1 0 303.409 4.336 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)n1cc([C@H](C)[NH3+])c2ccccc21 ZINC001171200902 1050625698 /nfs/dbraw/zinc/62/56/98/1050625698.db2.gz DUEZPAIZDKEGMI-CABCVRRESA-N 1 0 303.409 4.336 20 30 DIEDRO CC[C@@H]([NH2+]CCc1ccc(C)c(OC)c1)c1ccc(C#N)cc1 ZINC000574995383 1050625893 /nfs/dbraw/zinc/62/58/93/1050625893.db2.gz UHOKSHZQPKLMIE-LJQANCHMSA-N 1 0 308.425 4.159 20 30 DIEDRO C[C@@H]([NH3+])c1cn([C@@H](C)Cc2cccc(C#N)c2)c2ccccc12 ZINC001171200908 1050628735 /nfs/dbraw/zinc/62/87/35/1050628735.db2.gz DUEZPAIZDKEGMI-LSDHHAIUSA-N 1 0 303.409 4.336 20 30 DIEDRO CC[N@H+](Cc1cc(OC(C)C)ccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000592999866 1050632659 /nfs/dbraw/zinc/63/26/59/1050632659.db2.gz VHNXPHIYWCGMFZ-MRXNPFEDSA-N 1 0 323.440 4.324 20 30 DIEDRO CCCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000740840779 1050632757 /nfs/dbraw/zinc/63/27/57/1050632757.db2.gz FBSJCJBMOZTGKH-ROUUACIJSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000740840777 1050632919 /nfs/dbraw/zinc/63/29/19/1050632919.db2.gz FBSJCJBMOZTGKH-MSOLQXFVSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000740873967 1050634174 /nfs/dbraw/zinc/63/41/74/1050634174.db2.gz QZPZMHHDVCUDBU-UHFFFAOYSA-N 1 0 312.404 4.196 20 30 DIEDRO CCCCCCCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000740873708 1050634447 /nfs/dbraw/zinc/63/44/47/1050634447.db2.gz XHZOZDCYWLBXNL-UHFFFAOYSA-N 1 0 314.477 4.269 20 30 DIEDRO COCCCC[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1 ZINC000595471038 1050636023 /nfs/dbraw/zinc/63/60/23/1050636023.db2.gz ZLPVDTIKWAEDRX-NRFANRHFSA-N 1 0 322.452 4.248 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1 ZINC000595503134 1050636617 /nfs/dbraw/zinc/63/66/17/1050636617.db2.gz QNQRGFYSTHQWMT-HXUWFJFHSA-N 1 0 303.409 4.126 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000740876730 1050636876 /nfs/dbraw/zinc/63/68/76/1050636876.db2.gz BHFBHSISIUIWQP-UHFFFAOYSA-N 1 0 304.478 4.181 20 30 DIEDRO CO[C@H](C[NH2+][C@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000595503898 1050637081 /nfs/dbraw/zinc/63/70/81/1050637081.db2.gz YGXRPBHMBJSVLN-RTBURBONSA-N 1 0 300.446 4.216 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000845983765 1050641277 /nfs/dbraw/zinc/64/12/77/1050641277.db2.gz ZOQFOQHAMCLZJM-WCXIOVBPSA-N 1 0 322.493 4.014 20 30 DIEDRO C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615422 1050657905 /nfs/dbraw/zinc/65/79/05/1050657905.db2.gz QWKQOPVKKSUOEP-QWHCGFSZSA-N 1 0 307.235 4.136 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595640640 1050658634 /nfs/dbraw/zinc/65/86/34/1050658634.db2.gz SMQKFIQAFJWJJL-UHFFFAOYSA-N 1 0 317.436 4.384 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(CC(C)C)cc2)cc1C#N ZINC000746733930 1050658704 /nfs/dbraw/zinc/65/87/04/1050658704.db2.gz MJXDOLHASGRJKN-UHFFFAOYSA-N 1 0 308.425 4.055 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000595614709 1050658796 /nfs/dbraw/zinc/65/87/96/1050658796.db2.gz MTVNNORDPGENHA-AWEZNQCLSA-N 1 0 308.878 4.448 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000846053402 1050659665 /nfs/dbraw/zinc/65/96/65/1050659665.db2.gz QZKVXSINEWLMRY-JKSUJKDBSA-N 1 0 322.493 4.016 20 30 DIEDRO N#Cc1cccc(CN2CC3(CCCC3)[C@H]2c2ccco2)c1F ZINC000595673960 1050661204 /nfs/dbraw/zinc/66/12/04/1050661204.db2.gz GXVRZXSENSRPEY-GOSISDBHSA-N 1 0 310.372 4.408 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593117876 1050665033 /nfs/dbraw/zinc/66/50/33/1050665033.db2.gz OAUISBNWNYZNMS-LJQANCHMSA-N 1 0 324.374 4.456 20 30 DIEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1=CCCOC1 ZINC000595750582 1050668547 /nfs/dbraw/zinc/66/85/47/1050668547.db2.gz CTYDLKMUFPFHKP-UHFFFAOYSA-N 1 0 318.420 4.004 20 30 DIEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCCCC(C)(C)C#N)C12CCC2 ZINC000595777947 1050670100 /nfs/dbraw/zinc/67/01/00/1050670100.db2.gz MMQFUBZWZSUWDW-HZPDHXFCSA-N 1 0 306.494 4.422 20 30 DIEDRO COc1cccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1O ZINC000846156978 1050674366 /nfs/dbraw/zinc/67/43/66/1050674366.db2.gz QODOQJVQOBEJRS-YOEHRIQHSA-N 1 0 310.397 4.096 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1O ZINC000846156975 1050675245 /nfs/dbraw/zinc/67/52/45/1050675245.db2.gz QODOQJVQOBEJRS-PBHICJAKSA-N 1 0 310.397 4.096 20 30 DIEDRO C[C@]1(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@]1(F)Cl ZINC000846186672 1050690669 /nfs/dbraw/zinc/69/06/69/1050690669.db2.gz ZIHDHYRAKOAZEJ-IXDOHACOSA-N 1 0 306.812 4.230 20 30 DIEDRO C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc(C#N)cc1F ZINC000846214708 1050694532 /nfs/dbraw/zinc/69/45/32/1050694532.db2.gz MCWHWYCMJYSZBA-ZYHUDNBSSA-N 1 0 315.219 4.322 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)CC2 ZINC000846216836 1050696920 /nfs/dbraw/zinc/69/69/20/1050696920.db2.gz WAPMANHESLNCAU-DZGCQCFKSA-N 1 0 309.240 4.109 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220547 1050707978 /nfs/dbraw/zinc/70/79/78/1050707978.db2.gz BVKQHYRDUKIALB-KKSFZXQISA-N 1 0 320.436 4.335 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220740 1050712486 /nfs/dbraw/zinc/71/24/86/1050712486.db2.gz BNZFYXNDSYCCFM-HOTGVXAUSA-N 1 0 308.425 4.191 20 30 DIEDRO CCCCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000741592232 1050712925 /nfs/dbraw/zinc/71/29/25/1050712925.db2.gz XVGCXIJCLVZOQZ-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001171224040 1050713114 /nfs/dbraw/zinc/71/31/14/1050713114.db2.gz PAROHSZLFSCNQI-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001171224028 1050713561 /nfs/dbraw/zinc/71/35/61/1050713561.db2.gz OTBKZBXPIXUAEX-HNAYVOBHSA-N 1 0 308.400 4.118 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC001171222669 1050715011 /nfs/dbraw/zinc/71/50/11/1050715011.db2.gz INWNWTBJRQTIBD-KRWDZBQOSA-N 1 0 302.421 4.279 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001171221922 1050715182 /nfs/dbraw/zinc/71/51/82/1050715182.db2.gz XAUFGYMGFOGOAP-UZLBHIALSA-N 1 0 305.425 4.111 20 30 DIEDRO C=CCCCCCCCCC(=O)NC1CC[NH+](CCC)CC1 ZINC001144798423 1050717004 /nfs/dbraw/zinc/71/70/04/1050717004.db2.gz PGVWXPRHDJXZNQ-UHFFFAOYSA-N 1 0 308.510 4.284 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171223645 1050718156 /nfs/dbraw/zinc/71/81/56/1050718156.db2.gz NNTVGOMRCHWLLQ-IIBYNOLFSA-N 1 0 320.436 4.335 20 30 DIEDRO CC[C@H]([NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000788621235 1050718860 /nfs/dbraw/zinc/71/88/60/1050718860.db2.gz LEQSGJFDHBMZTN-HBMCJLEFSA-N 1 0 322.452 4.357 20 30 DIEDRO CC(C)[N@H+](CC(=O)c1ccccc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171224869 1050719022 /nfs/dbraw/zinc/71/90/22/1050719022.db2.gz VJPPMQHLIYYRNL-QGZVFWFLSA-N 1 0 320.436 4.083 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171224759 1050719144 /nfs/dbraw/zinc/71/91/44/1050719144.db2.gz UZSJAQJLCSYTQY-JKSUJKDBSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001171225343 1050720474 /nfs/dbraw/zinc/72/04/74/1050720474.db2.gz ZZWOBGBOCJNOBW-HNNXBMFYSA-N 1 0 312.844 4.317 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001171225344 1050721281 /nfs/dbraw/zinc/72/12/81/1050721281.db2.gz ZZWOBGBOCJNOBW-OAHLLOKOSA-N 1 0 312.844 4.317 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001171228063 1050722344 /nfs/dbraw/zinc/72/23/44/1050722344.db2.gz DPFNFWMMCGBUPI-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001171228177 1050722424 /nfs/dbraw/zinc/72/24/24/1050722424.db2.gz FCQLNZKHXITQBA-MAUKXSAKSA-N 1 0 300.421 4.093 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001171227802 1050722794 /nfs/dbraw/zinc/72/27/94/1050722794.db2.gz AOBHWBVSKIJVDZ-HNNXBMFYSA-N 1 0 316.404 4.294 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001171230152 1050728194 /nfs/dbraw/zinc/72/81/94/1050728194.db2.gz SRMIZBNYUAHQNL-QGZVFWFLSA-N 1 0 306.453 4.442 20 30 DIEDRO C[C@H]1CCCCN1c1cccc(NCc2ccc(C#N)c(F)c2)[nH+]1 ZINC001170091148 1050761174 /nfs/dbraw/zinc/76/11/74/1050761174.db2.gz XOYSUXRLKWHBRG-AWEZNQCLSA-N 1 0 324.403 4.083 20 30 DIEDRO COc1ccc(-c2cc(C[NH+](C)C)ccc2F)cc1C1(C#N)CC1 ZINC000596639846 1050762346 /nfs/dbraw/zinc/76/23/46/1050762346.db2.gz BJTKLCBSRBLWKA-UHFFFAOYSA-N 1 0 324.399 4.118 20 30 DIEDRO CC(C)Oc1ccc(CC#N)cc1-c1ccc([C@H](C)[NH3+])c(F)c1 ZINC000596647067 1050763261 /nfs/dbraw/zinc/76/32/61/1050763261.db2.gz WIKYNOOKSBXDTI-ZDUSSCGKSA-N 1 0 312.388 4.366 20 30 DIEDRO CCc1cccc(Cl)c1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000788959749 1050765063 /nfs/dbraw/zinc/76/50/63/1050765063.db2.gz BKRFYXQGINOIMJ-UHFFFAOYSA-N 1 0 314.816 4.095 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CCCCC1 ZINC000772957691 1050773666 /nfs/dbraw/zinc/77/36/66/1050773666.db2.gz BAZRGFDCXLZTQG-LJQANCHMSA-N 1 0 300.446 4.428 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CCCCC1 ZINC000772957688 1050774677 /nfs/dbraw/zinc/77/46/77/1050774677.db2.gz BAZRGFDCXLZTQG-IBGZPJMESA-N 1 0 300.446 4.428 20 30 DIEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000596977755 1050792640 /nfs/dbraw/zinc/79/26/40/1050792640.db2.gz ONYQWSDMJTYOPE-OAHLLOKOSA-N 1 0 308.347 4.016 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000596982723 1050793632 /nfs/dbraw/zinc/79/36/32/1050793632.db2.gz HCIONKHJMJAMSB-UHFFFAOYSA-N 1 0 308.347 4.016 20 30 DIEDRO CC[N@H+](Cc1cc(COC)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000596984945 1050794718 /nfs/dbraw/zinc/79/47/18/1050794718.db2.gz YGKHRJUPZFCPSC-CQSZACIVSA-N 1 0 314.454 4.349 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000597014150 1050796743 /nfs/dbraw/zinc/79/67/43/1050796743.db2.gz OQXJQBJXSZLHJB-ROUUACIJSA-N 1 0 312.482 4.102 20 30 DIEDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597014321 1050797685 /nfs/dbraw/zinc/79/76/85/1050797685.db2.gz DWOYAAFYWUJHLJ-IBGZPJMESA-N 1 0 312.457 4.023 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc(C)c1F ZINC000772959394 1050806116 /nfs/dbraw/zinc/80/61/16/1050806116.db2.gz LKYRMUAOXYUPHA-OAHLLOKOSA-N 1 0 312.388 4.196 20 30 DIEDRO C[C@H](C#N)C[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000597081462 1050806254 /nfs/dbraw/zinc/80/62/54/1050806254.db2.gz AGPAJVYNZVXBDN-ZJUUUORDSA-N 1 0 304.743 4.039 20 30 DIEDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597084513 1050806525 /nfs/dbraw/zinc/80/65/25/1050806525.db2.gz VYVCTVMKOCHOHW-JXFKEZNVSA-N 1 0 317.436 4.220 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@@H](CC)Cc1ccc(Br)cc1 ZINC000597086351 1050807233 /nfs/dbraw/zinc/80/72/33/1050807233.db2.gz LEZVABUHKZLIDB-GJZGRUSLSA-N 1 0 309.251 4.052 20 30 DIEDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597085186 1050807282 /nfs/dbraw/zinc/80/72/82/1050807282.db2.gz SIPKLNLJGPTFLY-CZUORRHYSA-N 1 0 322.374 4.405 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3C)cc1 ZINC000772961076 1050808519 /nfs/dbraw/zinc/80/85/19/1050808519.db2.gz YYHAPAPZZVSYRK-IIBYNOLFSA-N 1 0 305.421 4.345 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000772960263 1050808947 /nfs/dbraw/zinc/80/89/47/1050808947.db2.gz OUBIRWHTKKGTAN-VBKZILBWSA-N 1 0 309.384 4.176 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000772965617 1050810026 /nfs/dbraw/zinc/81/00/26/1050810026.db2.gz QJNZSKCRJXRARS-CVEARBPZSA-N 1 0 315.379 4.463 20 30 DIEDRO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597137368 1050811903 /nfs/dbraw/zinc/81/19/03/1050811903.db2.gz GFHJQCRIIODATA-XJKSGUPXSA-N 1 0 322.374 4.405 20 30 DIEDRO CC[N@H+](Cc1cc(F)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477533 1050817089 /nfs/dbraw/zinc/81/70/89/1050817089.db2.gz SRMRKRYCQJVLGV-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477636 1050818310 /nfs/dbraw/zinc/81/83/10/1050818310.db2.gz VMNUZMBKDCQZMB-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000597178480 1050820823 /nfs/dbraw/zinc/82/08/23/1050820823.db2.gz YDZSEYLEOGZBGM-ZDUSSCGKSA-N 1 0 315.417 4.075 20 30 DIEDRO C#CC[C@H]([NH2+]CC[C@H](C)OCc1ccccc1)c1ccccc1 ZINC000789361273 1050821781 /nfs/dbraw/zinc/82/17/81/1050821781.db2.gz GFZUCXFPTXMJPY-RXVVDRJESA-N 1 0 307.437 4.336 20 30 DIEDRO COc1ccc(C[NH2+]Cc2csc3ccccc23)cc1C#N ZINC000742367488 1050822127 /nfs/dbraw/zinc/82/21/27/1050822127.db2.gz WXEKYDXQGPFVFO-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(C)C)cc1C#N ZINC000742366828 1050822735 /nfs/dbraw/zinc/82/27/35/1050822735.db2.gz VJNQVFYKOWTMIF-LJQANCHMSA-N 1 0 308.425 4.096 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1C#N ZINC000742368404 1050823065 /nfs/dbraw/zinc/82/30/65/1050823065.db2.gz GTPQCJNOFCGVFJ-LJQANCHMSA-N 1 0 306.409 4.124 20 30 DIEDRO CC(C)COc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000742381764 1050823935 /nfs/dbraw/zinc/82/39/35/1050823935.db2.gz IMMYAKFUJIJXIQ-UHFFFAOYSA-N 1 0 312.388 4.022 20 30 DIEDRO C=Cc1ccccc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277257 1050823983 /nfs/dbraw/zinc/82/39/83/1050823983.db2.gz PBPADNZJPDRMEI-UHFFFAOYSA-N 1 0 317.436 4.300 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]CCC2(C#N)CCCCC2)C12CCCC2 ZINC001170105660 1050825497 /nfs/dbraw/zinc/82/54/97/1050825497.db2.gz RCNGIWVOXYONRU-IRXDYDNUSA-N 1 0 304.478 4.178 20 30 DIEDRO CCCCCCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000742397007 1050830755 /nfs/dbraw/zinc/83/07/55/1050830755.db2.gz KEYNOYIGOZYEHT-GOSISDBHSA-N 1 0 304.478 4.074 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc(C#N)cc1 ZINC000593323613 1050831466 /nfs/dbraw/zinc/83/14/66/1050831466.db2.gz RFIXQHRPSZFCQJ-KXBFYZLASA-N 1 0 305.425 4.026 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1C#N ZINC000742371770 1050831986 /nfs/dbraw/zinc/83/19/86/1050831986.db2.gz BYSORMZKJPMUFI-QUCCMNQESA-N 1 0 320.436 4.068 20 30 DIEDRO COc1ccc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)cc1C#N ZINC000742369828 1050833310 /nfs/dbraw/zinc/83/33/10/1050833310.db2.gz WHZPKMUWCUSSON-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO COc1ccc(C[NH2+][C@H](c2ccccc2C)C2CC2)cc1C#N ZINC000742370726 1050833480 /nfs/dbraw/zinc/83/34/80/1050833480.db2.gz KUHPSFMTTVEOEW-FQEVSTJZSA-N 1 0 306.409 4.116 20 30 DIEDRO Cc1ccoc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000742371767 1050833506 /nfs/dbraw/zinc/83/35/06/1050833506.db2.gz BVNNRCRCAOAVBX-UHFFFAOYSA-N 1 0 308.406 4.478 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)cc1 ZINC000742378305 1050837014 /nfs/dbraw/zinc/83/70/14/1050837014.db2.gz QHSWCQOQWMCTDW-OAQYLSRUSA-N 1 0 305.421 4.330 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000742378371 1050837153 /nfs/dbraw/zinc/83/71/53/1050837153.db2.gz GTIYREFSZFEJDE-IPMKNSEASA-N 1 0 311.473 4.095 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000742378368 1050837194 /nfs/dbraw/zinc/83/71/94/1050837194.db2.gz GTIYREFSZFEJDE-CEXWTWQISA-N 1 0 311.473 4.095 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)cc1 ZINC000742378304 1050837821 /nfs/dbraw/zinc/83/78/21/1050837821.db2.gz QHSWCQOQWMCTDW-NRFANRHFSA-N 1 0 305.421 4.330 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[N@H+](CC)C[C@@H]1C ZINC001160999927 1050844403 /nfs/dbraw/zinc/84/44/03/1050844403.db2.gz DQBVPYZRQQRRKT-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO CC(C)c1cccc2c1CC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000789549564 1050848738 /nfs/dbraw/zinc/84/87/38/1050848738.db2.gz RUUBZKJSGNTTQP-UHFFFAOYSA-N 1 0 320.436 4.271 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1(C)C ZINC001170116498 1050877534 /nfs/dbraw/zinc/87/75/34/1050877534.db2.gz GHHYKIIBIZWUNV-FHLIZLRMSA-N 1 0 300.446 4.193 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1(C)C ZINC001170116501 1050877647 /nfs/dbraw/zinc/87/76/47/1050877647.db2.gz GHHYKIIBIZWUNV-ZTFGCOKTSA-N 1 0 300.446 4.193 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000601967609 1050886772 /nfs/dbraw/zinc/88/67/72/1050886772.db2.gz HVADPQMSLNOGQL-DNVCBOLYSA-N 1 0 313.420 4.480 20 30 DIEDRO CC[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccc(C#N)cc1 ZINC000602018453 1050890858 /nfs/dbraw/zinc/89/08/58/1050890858.db2.gz CDNQDWQWWYZLFJ-MJGOQNOKSA-N 1 0 305.425 4.198 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)Cc2ccccc2C)c1 ZINC000772984199 1050904171 /nfs/dbraw/zinc/90/41/71/1050904171.db2.gz NJDQOGOYIMTUAW-PXNSSMCTSA-N 1 0 322.452 4.397 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2coc3ccccc23)cc1 ZINC000772985755 1050904966 /nfs/dbraw/zinc/90/49/66/1050904966.db2.gz YDTKPRHACTVXNZ-HNNXBMFYSA-N 1 0 305.377 4.296 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000772985245 1050906026 /nfs/dbraw/zinc/90/60/26/1050906026.db2.gz UZFBCAROPDLQPC-FXAWDEMLSA-N 1 0 324.399 4.284 20 30 DIEDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]C1(CC#N)CCCC1)CC2 ZINC001171316338 1050906100 /nfs/dbraw/zinc/90/61/00/1050906100.db2.gz MHJRLMOTHGQNAW-ZDUSSCGKSA-N 1 0 318.848 4.022 20 30 DIEDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]C1(CC#N)CCCC1)CC2 ZINC001171316336 1050906320 /nfs/dbraw/zinc/90/63/20/1050906320.db2.gz MHJRLMOTHGQNAW-CYBMUJFWSA-N 1 0 318.848 4.022 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000772985247 1050906832 /nfs/dbraw/zinc/90/68/32/1050906832.db2.gz UZFBCAROPDLQPC-XLIONFOSSA-N 1 0 324.399 4.284 20 30 DIEDRO CCCC[N@H+](CCC#N)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171319443 1050919811 /nfs/dbraw/zinc/91/98/11/1050919811.db2.gz DXBCENGDDGTRQQ-AWEZNQCLSA-N 1 0 320.864 4.222 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)C1CCCCC1 ZINC000742696769 1050922170 /nfs/dbraw/zinc/92/21/70/1050922170.db2.gz KOZUUTGFOUDHGM-QGZVFWFLSA-N 1 0 313.489 4.342 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790600413 1050976287 /nfs/dbraw/zinc/97/62/87/1050976287.db2.gz BHOXNIHDJCWNKI-INIZCTEOSA-N 1 0 303.837 4.029 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1OCC ZINC000348209021 1051004863 /nfs/dbraw/zinc/00/48/63/1051004863.db2.gz VYQWIPARSYCIST-OAHLLOKOSA-N 1 0 318.461 4.465 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000348205539 1051004941 /nfs/dbraw/zinc/00/49/41/1051004941.db2.gz JRGOLKKHQNVSJS-GOSISDBHSA-N 1 0 311.404 4.230 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCCSC1 ZINC000348206110 1051005464 /nfs/dbraw/zinc/00/54/64/1051005464.db2.gz KVPPZOIUBCEAAU-MAUKXSAKSA-N 1 0 300.471 4.059 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCCc2ccc3ccccc3c2)cc1 ZINC000303902070 1051006919 /nfs/dbraw/zinc/00/69/19/1051006919.db2.gz XPRRLEUGEVBEPO-UHFFFAOYSA-N 1 0 303.409 4.118 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccncc1 ZINC000790964839 1051011629 /nfs/dbraw/zinc/01/16/29/1051011629.db2.gz NVQCBFZAEMGNBW-HXUWFJFHSA-N 1 0 308.425 4.277 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[C@H](O)CC)cc1 ZINC000773014663 1051022364 /nfs/dbraw/zinc/02/23/64/1051022364.db2.gz JSICJQCQHVCWEK-GDBMZVCRSA-N 1 0 311.853 4.020 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC3(CCCC3)C2)c1O ZINC000743391325 1051023936 /nfs/dbraw/zinc/02/39/36/1051023936.db2.gz OTPSINLCONCOHU-UHFFFAOYSA-N 1 0 315.457 4.286 20 30 DIEDRO C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001170148084 1051026296 /nfs/dbraw/zinc/02/62/96/1051026296.db2.gz FZDXGVKFYBZGSH-DZGCQCFKSA-N 1 0 318.848 4.243 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000773019217 1051027093 /nfs/dbraw/zinc/02/70/93/1051027093.db2.gz XSCQFKZGNCPDHB-MSOLQXFVSA-N 1 0 317.379 4.295 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000773033943 1051031629 /nfs/dbraw/zinc/03/16/29/1051031629.db2.gz BSIABINDGOCOMR-NSHDSACASA-N 1 0 301.764 4.396 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(F)c2)c1 ZINC000743477686 1051032921 /nfs/dbraw/zinc/03/29/21/1051032921.db2.gz UJNUJNZZQLTUHP-KSSFIOAISA-N 1 0 312.388 4.357 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000743477399 1051033464 /nfs/dbraw/zinc/03/34/64/1051033464.db2.gz ROIOSTZPUJYZEG-DNVCBOLYSA-N 1 0 319.408 4.090 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000773040801 1051036517 /nfs/dbraw/zinc/03/65/17/1051036517.db2.gz OASVLMJEVFVMFS-CQSZACIVSA-N 1 0 315.848 4.288 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(C)CCOCC2)cc1 ZINC000773045787 1051037221 /nfs/dbraw/zinc/03/72/21/1051037221.db2.gz WTZDCEDHTDYMPL-OAHLLOKOSA-N 1 0 323.864 4.285 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1cccc2c1CC[C@H]2[NH3+] ZINC001171376306 1051043541 /nfs/dbraw/zinc/04/35/41/1051043541.db2.gz SLCFPZWWKSLRNP-KBXCAEBGSA-N 1 0 308.425 4.371 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(OCC(=C)Cl)cc1 ZINC000773059046 1051045685 /nfs/dbraw/zinc/04/56/85/1051045685.db2.gz KQTCTMDAKGAZOS-OAHLLOKOSA-N 1 0 309.837 4.061 20 30 DIEDRO CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000773075904 1051054466 /nfs/dbraw/zinc/05/44/66/1051054466.db2.gz LKYRAXMJYQANGO-LJQANCHMSA-N 1 0 308.425 4.370 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000773081372 1051056207 /nfs/dbraw/zinc/05/62/07/1051056207.db2.gz QTSXRXQFIINBAN-MOPGFXCFSA-N 1 0 315.457 4.012 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(OC(C)=O)cc1 ZINC000791568278 1051058981 /nfs/dbraw/zinc/05/89/81/1051058981.db2.gz NNWTVMFVCNLODB-UHFFFAOYSA-N 1 0 309.409 4.190 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001171382085 1051060323 /nfs/dbraw/zinc/06/03/23/1051060323.db2.gz SYRZSYSJJUFASB-HZPDHXFCSA-N 1 0 312.498 4.382 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCCc2cc(OC)ccc21)c1ccccc1 ZINC000773106090 1051063286 /nfs/dbraw/zinc/06/32/86/1051063286.db2.gz JZYVZCFWYABEKX-LEWJYISDSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000773105663 1051063329 /nfs/dbraw/zinc/06/33/29/1051063329.db2.gz IKMPZJNHPKRJQU-CRAIPNDOSA-N 1 0 308.381 4.318 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000773117764 1051067955 /nfs/dbraw/zinc/06/79/55/1051067955.db2.gz WHEBOHYHMRNZCC-RTBURBONSA-N 1 0 308.381 4.400 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400753346 1051073020 /nfs/dbraw/zinc/07/30/20/1051073020.db2.gz WGCMDQRCOGNUQI-HZPDHXFCSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000743851049 1051074118 /nfs/dbraw/zinc/07/41/18/1051074118.db2.gz IBTPNMPQKQZGCY-UHFFFAOYSA-N 1 0 303.381 4.054 20 30 DIEDRO CCC(CC)[N@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC1 ZINC000744141510 1051120354 /nfs/dbraw/zinc/12/03/54/1051120354.db2.gz OKPUDRCSHNCOFW-UHFFFAOYSA-N 1 0 308.429 4.032 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000792174627 1051124178 /nfs/dbraw/zinc/12/41/78/1051124178.db2.gz ZWVDZWYNLZKXQO-GOSISDBHSA-N 1 0 300.446 4.428 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC001171489935 1051143844 /nfs/dbraw/zinc/14/38/44/1051143844.db2.gz KMZWKVCMLGDIOO-KBPBESRZSA-N 1 0 306.247 4.245 20 30 DIEDRO C[C@@H]1CCCCN1c1cccc(NCc2ccc(C#N)s2)[nH+]1 ZINC001170199682 1051153822 /nfs/dbraw/zinc/15/38/22/1051153822.db2.gz FVXFYGLUBJVPAK-CYBMUJFWSA-N 1 0 312.442 4.006 20 30 DIEDRO CC[NH+](CC)Cc1cccc(NCc2ccc(C#N)s2)c1F ZINC001170201371 1051155880 /nfs/dbraw/zinc/15/58/80/1051155880.db2.gz CXVDUFJYIPAYQF-UHFFFAOYSA-N 1 0 317.433 4.213 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2c(C)cccc2C1)c1cccc(C#N)c1 ZINC001171561354 1051167862 /nfs/dbraw/zinc/16/78/62/1051167862.db2.gz XZUXHXAFGBMXNG-PZJWPPBQSA-N 1 0 304.437 4.465 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170388758 1051194759 /nfs/dbraw/zinc/19/47/59/1051194759.db2.gz CRFSPJZVDQLLLQ-KKXNLOMOSA-N 1 0 307.441 4.016 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001170389433 1051195106 /nfs/dbraw/zinc/19/51/06/1051195106.db2.gz SHQXNWSTRCTTDH-ABHNRTSZSA-N 1 0 316.395 4.122 20 30 DIEDRO CC[N@H+](Cc1ccccn1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389470 1051196051 /nfs/dbraw/zinc/19/60/51/1051196051.db2.gz UFCCAACGJMHNCU-UHFFFAOYSA-N 1 0 319.452 4.308 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC001170379154 1051200130 /nfs/dbraw/zinc/20/01/30/1051200130.db2.gz RNPOUAWIACXGQS-UHFFFAOYSA-N 1 0 304.384 4.122 20 30 DIEDRO C[C@H](CSc1ccccc1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC001171773317 1051211268 /nfs/dbraw/zinc/21/12/68/1051211268.db2.gz VHMBPLYPSUAVGV-MRXNPFEDSA-N 1 0 310.466 4.365 20 30 DIEDRO C=CCCC[NH2+][C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171817034 1051214964 /nfs/dbraw/zinc/21/49/64/1051214964.db2.gz XKIIJMCPYZTICW-BJWYYQGGSA-N 1 0 324.509 4.499 20 30 DIEDRO C=CCC[NH2+][C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171817984 1051216109 /nfs/dbraw/zinc/21/61/09/1051216109.db2.gz QTECHRPACRJWOU-MUJYYYPQSA-N 1 0 310.482 4.109 20 30 DIEDRO COc1ccc(C[C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)cc1 ZINC001171786319 1051220471 /nfs/dbraw/zinc/22/04/71/1051220471.db2.gz SMCNAEKWJQOYKS-HXUWFJFHSA-N 1 0 320.436 4.164 20 30 DIEDRO C#CCCC[NH2+][C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000792925828 1051231263 /nfs/dbraw/zinc/23/12/63/1051231263.db2.gz LPWCCCNFVGSUIF-HNNXBMFYSA-N 1 0 300.229 4.074 20 30 DIEDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000792976052 1051233748 /nfs/dbraw/zinc/23/37/48/1051233748.db2.gz LOJCGIKATJDFQY-QZTJIDSGSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001171960243 1051246845 /nfs/dbraw/zinc/24/68/45/1051246845.db2.gz TVEDCOCUCCJAKK-NOLJZWGESA-N 1 0 310.363 4.308 20 30 DIEDRO C[C@@H](NN=C1CCC([N@H+](C)Cc2ccccc2)CC1)C(C)(C)C ZINC000793112869 1051249106 /nfs/dbraw/zinc/24/91/06/1051249106.db2.gz XZGFIFYWLWPZMG-VTBWFHPJSA-N 1 0 315.505 4.441 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001171975785 1051264076 /nfs/dbraw/zinc/26/40/76/1051264076.db2.gz ZRCGDFCRAZZXRG-WNOSKKOXSA-N 1 0 322.374 4.403 20 30 DIEDRO CCC(C#N)(CC)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978732 1051268727 /nfs/dbraw/zinc/26/87/27/1051268727.db2.gz LHTYEBQMUVYBLU-GOSISDBHSA-N 1 0 313.489 4.102 20 30 DIEDRO CCC[C@](C)(C#N)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980158 1051270135 /nfs/dbraw/zinc/27/01/35/1051270135.db2.gz PNPNEEZXMRXPEB-UYAOXDASSA-N 1 0 313.489 4.102 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(C)CCC(C)CC2)cc1 ZINC000793290610 1051275125 /nfs/dbraw/zinc/27/51/25/1051275125.db2.gz ZLTBBRRNRMUQBN-WUJZJPHMSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793331278 1051284323 /nfs/dbraw/zinc/28/43/23/1051284323.db2.gz RGRCHQYUORDKHI-HOTGVXAUSA-N 1 0 322.493 4.134 20 30 DIEDRO Cc1ccnc(C#N)c1Nc1cccc(C[NH+]2CCCCC2)c1F ZINC001215677644 1051295549 /nfs/dbraw/zinc/29/55/49/1051295549.db2.gz PYTFYPLVMXESFN-UHFFFAOYSA-N 1 0 324.403 4.130 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000793521146 1051306839 /nfs/dbraw/zinc/30/68/39/1051306839.db2.gz BURXDSPXCQEWCE-HZPDHXFCSA-N 1 0 304.482 4.180 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000793522966 1051308030 /nfs/dbraw/zinc/30/80/30/1051308030.db2.gz CDNYRDJYRZDXHE-AWEZNQCLSA-N 1 0 306.416 4.128 20 30 DIEDRO CCCCCCCCCC[N@H+](C)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172187056 1051308006 /nfs/dbraw/zinc/30/80/06/1051308006.db2.gz VJWHTMCSYXPKRC-MSOLQXFVSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCCCCC[N@H+](C)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172187059 1051309392 /nfs/dbraw/zinc/30/93/92/1051309392.db2.gz VJWHTMCSYXPKRC-ZWKOTPCHSA-N 1 0 308.510 4.212 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)C)CC1 ZINC000793542166 1051314098 /nfs/dbraw/zinc/31/40/98/1051314098.db2.gz UKLWPMGMUWGCIV-MRXNPFEDSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000793542519 1051315435 /nfs/dbraw/zinc/31/54/35/1051315435.db2.gz UVBJPWSNOFHWPR-LJQANCHMSA-N 1 0 322.537 4.136 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CSc2ccccc2C1)c1cccc(C#N)c1 ZINC001172204533 1051315488 /nfs/dbraw/zinc/31/54/88/1051315488.db2.gz QIBYUQZETYBTAD-QZTJIDSGSA-N 1 0 308.450 4.316 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000793543633 1051316300 /nfs/dbraw/zinc/31/63/00/1051316300.db2.gz VWCHUYJEPISMGR-ZIAGYGMSSA-N 1 0 301.434 4.444 20 30 DIEDRO N#Cc1ccc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)s1 ZINC001215711474 1051319448 /nfs/dbraw/zinc/31/94/48/1051319448.db2.gz URFTZWVPBKHFEX-UHFFFAOYSA-N 1 0 315.417 4.488 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000793566914 1051320892 /nfs/dbraw/zinc/32/08/92/1051320892.db2.gz NOPZEUWZHYDNGC-HNNXBMFYSA-N 1 0 307.507 4.227 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@H+](C)C(C)(C)c2ccccc2)cc1 ZINC000793610329 1051326787 /nfs/dbraw/zinc/32/67/87/1051326787.db2.gz UAUCVJPZXLLQIW-UHFFFAOYSA-N 1 0 321.468 4.404 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001172301661 1051331900 /nfs/dbraw/zinc/33/19/00/1051331900.db2.gz TYKSEGZQHLTUAE-BUXKBTBVSA-N 1 0 312.363 4.045 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001172301296 1051332411 /nfs/dbraw/zinc/33/24/11/1051332411.db2.gz MCZBSQYVGKXNKS-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC001172301889 1051332422 /nfs/dbraw/zinc/33/24/22/1051332422.db2.gz YYILPXXQVFPSID-CHWSQXEVSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(F)cc1Cl ZINC001172300738 1051332552 /nfs/dbraw/zinc/33/25/52/1051332552.db2.gz YMCRKODLRILKPT-CYBMUJFWSA-N 1 0 316.807 4.114 20 30 DIEDRO COc1ccc(C(C)(C)[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172303049 1051333343 /nfs/dbraw/zinc/33/33/43/1051333343.db2.gz URMPISXOPFVEHE-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)c(F)cc1Cl ZINC001172303305 1051333763 /nfs/dbraw/zinc/33/37/63/1051333763.db2.gz WUQXTOXGRSCKTR-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)CCC2 ZINC001172304319 1051333948 /nfs/dbraw/zinc/33/39/48/1051333948.db2.gz JKRVHMXKDHKANZ-IIBYNOLFSA-N 1 0 304.437 4.465 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)CCC2 ZINC001172304317 1051333979 /nfs/dbraw/zinc/33/39/79/1051333979.db2.gz JKRVHMXKDHKANZ-IERDGZPVSA-N 1 0 304.437 4.465 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172306831 1051334038 /nfs/dbraw/zinc/33/40/38/1051334038.db2.gz LIRTXUGJMCPEDC-UZLBHIALSA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001172306161 1051334254 /nfs/dbraw/zinc/33/42/54/1051334254.db2.gz IWRVLBNZQWXMSK-JXFKEZNVSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1cccc2cccnc21 ZINC001172307287 1051335122 /nfs/dbraw/zinc/33/51/22/1051335122.db2.gz NNNGXPNKXNRDJY-MRXNPFEDSA-N 1 0 315.420 4.169 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001172307295 1051335280 /nfs/dbraw/zinc/33/52/80/1051335280.db2.gz NQQLIXYUADAVPS-LAUBAEHRSA-N 1 0 320.436 4.033 20 30 DIEDRO COc1cccc(CCC[N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172310548 1051335288 /nfs/dbraw/zinc/33/52/88/1051335288.db2.gz GEJDDIKQXVOVKL-KRWDZBQOSA-N 1 0 322.452 4.062 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172311044 1051335932 /nfs/dbraw/zinc/33/59/32/1051335932.db2.gz NSBUPYUQPBNIBM-OXJNMPFZSA-N 1 0 305.425 4.030 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001172307873 1051336213 /nfs/dbraw/zinc/33/62/13/1051336213.db2.gz HGUUIMBDTVTYEC-DAXOMENPSA-N 1 0 310.363 4.200 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001172307292 1051336297 /nfs/dbraw/zinc/33/62/97/1051336297.db2.gz NQQLIXYUADAVPS-DYESRHJHSA-N 1 0 320.436 4.033 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001172310891 1051336311 /nfs/dbraw/zinc/33/63/11/1051336311.db2.gz LFFVTBAFBBGDAA-VNCLNFNDSA-N 1 0 300.421 4.093 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2ccccc2)CC1 ZINC001172314590 1051337798 /nfs/dbraw/zinc/33/77/98/1051337798.db2.gz KLFLDOOTAJUFEW-KRWDZBQOSA-N 1 0 304.437 4.369 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172318455 1051340221 /nfs/dbraw/zinc/34/02/21/1051340221.db2.gz GEGDYHRFEIDQLD-HRAATJIYSA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(Cl)c1F ZINC001172290511 1051346974 /nfs/dbraw/zinc/34/69/74/1051346974.db2.gz QPBCLUMHIUGFRO-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172290458 1051347119 /nfs/dbraw/zinc/34/71/19/1051347119.db2.gz PXIPJPJQAXBCNS-MRXNPFEDSA-N 1 0 308.425 4.066 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC001172291284 1051347496 /nfs/dbraw/zinc/34/74/96/1051347496.db2.gz XHAKYVIFKBJZOP-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001172289910 1051347603 /nfs/dbraw/zinc/34/76/03/1051347603.db2.gz JYGCSJQTOSWDRE-ZDUSSCGKSA-N 1 0 300.352 4.217 20 30 DIEDRO Cc1c(C)n([C@H](C)Cc2ccc(C#N)cc2)c2ccc(C[NH3+])cc12 ZINC001172291066 1051348101 /nfs/dbraw/zinc/34/81/01/1051348101.db2.gz VVPBZQKYDUZMTI-CQSZACIVSA-N 1 0 317.436 4.392 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1ccccc1OC ZINC001172296644 1051348849 /nfs/dbraw/zinc/34/88/49/1051348849.db2.gz IXDAVKGJAJGTHS-KXBFYZLASA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1csc2ccccc12 ZINC001172295657 1051349157 /nfs/dbraw/zinc/34/91/57/1051349157.db2.gz CUVYYBFCYHPTFD-CQSZACIVSA-N 1 0 306.434 4.494 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1cc(CCC[NH3+])c2ccccc21 ZINC001172294338 1051349215 /nfs/dbraw/zinc/34/92/15/1051349215.db2.gz IFAFESHXLYPRFP-INIZCTEOSA-N 1 0 317.436 4.208 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001172299691 1051350740 /nfs/dbraw/zinc/35/07/40/1051350740.db2.gz MZVPSPWOALSBIV-INIZCTEOSA-N 1 0 322.427 4.383 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccccc1F)C1CC1 ZINC001172298485 1051351239 /nfs/dbraw/zinc/35/12/39/1051351239.db2.gz XGTZUSFABICFER-VBKZILBWSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(C)(C)Cc1ccc(F)cc1 ZINC001172298111 1051351736 /nfs/dbraw/zinc/35/17/36/1051351736.db2.gz DGBLZUYCBXLOON-MRXNPFEDSA-N 1 0 324.443 4.487 20 30 DIEDRO COc1ccc(C2([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CCC2)cc1 ZINC001172297587 1051351759 /nfs/dbraw/zinc/35/17/59/1051351759.db2.gz GKTMCFROEMMMMA-INIZCTEOSA-N 1 0 320.436 4.167 20 30 DIEDRO COc1ccc(CC(C)(C)[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172298944 1051351765 /nfs/dbraw/zinc/35/17/65/1051351765.db2.gz GXSOZSLHADSUDI-INIZCTEOSA-N 1 0 322.452 4.109 20 30 DIEDRO C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)C[C@H]1C ZINC001172380357 1051357245 /nfs/dbraw/zinc/35/72/45/1051357245.db2.gz RVNPPZJPCJEYFZ-NUJGCVRESA-N 1 0 312.457 4.226 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]CCC(=O)NCc1ccco1 ZINC001172346573 1051364985 /nfs/dbraw/zinc/36/49/85/1051364985.db2.gz JVTGBQGBIGVLJZ-INIZCTEOSA-N 1 0 308.466 4.015 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1cc(C(=O)OC)ccn1 ZINC001172347008 1051366831 /nfs/dbraw/zinc/36/68/31/1051366831.db2.gz OTCHKYBXOAPOPX-INIZCTEOSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]CCC(=O)Nc1nccs1 ZINC001172346710 1051367097 /nfs/dbraw/zinc/36/70/97/1051367097.db2.gz LVDPSLFVMKJHMK-CQSZACIVSA-N 1 0 311.495 4.200 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H]1CCN(C(=O)C2CCC2)C1 ZINC001172351346 1051367784 /nfs/dbraw/zinc/36/77/84/1051367784.db2.gz SYSJNDVCTKHMOF-ROUUACIJSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H](CC(=O)OC)c1ccccn1 ZINC001172351786 1051368154 /nfs/dbraw/zinc/36/81/54/1051368154.db2.gz VIPAELPREHJIBS-WMZOPIPTSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ncccc1C(=O)OC ZINC001172351848 1051368262 /nfs/dbraw/zinc/36/82/62/1051368262.db2.gz WSHPPTVTBMVMHU-OAHLLOKOSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001172355515 1051369822 /nfs/dbraw/zinc/36/98/22/1051369822.db2.gz BYJFAUZHXIOGIU-INIZCTEOSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172357211 1051371856 /nfs/dbraw/zinc/37/18/56/1051371856.db2.gz JHNXUOVAUGATFF-MSOLQXFVSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC001172356029 1051371939 /nfs/dbraw/zinc/37/19/39/1051371939.db2.gz GDMUHDKALPRFKV-MSOLQXFVSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CC)Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001172356275 1051372075 /nfs/dbraw/zinc/37/20/75/1051372075.db2.gz IAAZUJVHXCQNSU-MSOLQXFVSA-N 1 0 306.494 4.272 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCN(CCCCOC)CC1 ZINC001172357194 1051372491 /nfs/dbraw/zinc/37/24/91/1051372491.db2.gz CRKSDJBZUHEKHX-LJQANCHMSA-N 1 0 312.542 4.170 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CC(=O)N(CC)C2)CC1 ZINC001172357121 1051372751 /nfs/dbraw/zinc/37/27/51/1051372751.db2.gz BRXBICXTBMNENN-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172357214 1051373165 /nfs/dbraw/zinc/37/31/65/1051373165.db2.gz JHNXUOVAUGATFF-ZWKOTPCHSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@@H](CC)N(c1cnccn1)C1CC[NH2+]CC1 ZINC001172362016 1051375344 /nfs/dbraw/zinc/37/53/44/1051375344.db2.gz QZHLMPPANJTRGV-QGZVFWFLSA-N 1 0 318.509 4.174 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001172479144 1051402138 /nfs/dbraw/zinc/40/21/38/1051402138.db2.gz GVSAYXCHJBCMPI-AWEZNQCLSA-N 1 0 317.433 4.206 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccccc1NC(=O)OC(C)(C)C ZINC001172479032 1051402313 /nfs/dbraw/zinc/40/23/13/1051402313.db2.gz GONOSVCUNXPLDH-CQSZACIVSA-N 1 0 317.433 4.206 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(-c2ccnc(F)c2)c(F)c1 ZINC001172482948 1051403475 /nfs/dbraw/zinc/40/34/75/1051403475.db2.gz LTPQQIMDBOCGJW-CYBMUJFWSA-N 1 0 315.367 4.199 20 30 DIEDRO CC(C)COCC[C@@H](C)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001172485319 1051403583 /nfs/dbraw/zinc/40/35/83/1051403583.db2.gz WHUNCLOFNLTKIP-QGZVFWFLSA-N 1 0 314.473 4.189 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000766351607 1051403537 /nfs/dbraw/zinc/40/35/37/1051403537.db2.gz TWBKDZIRTNHLDK-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](c1ccc(C(F)(F)F)cn1)C1CC1 ZINC001172486465 1051403805 /nfs/dbraw/zinc/40/38/05/1051403805.db2.gz FCHNLLUBWZVMNK-NHYWBVRUSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC001172483005 1051403922 /nfs/dbraw/zinc/40/39/22/1051403922.db2.gz BUEHUFTWEUGHSS-LLVKDONJSA-N 1 0 310.323 4.039 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC001172486679 1051404374 /nfs/dbraw/zinc/40/43/74/1051404374.db2.gz CQHOQOVVIAALLQ-MLGOLLRUSA-N 1 0 321.262 4.498 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001172486512 1051404800 /nfs/dbraw/zinc/40/48/00/1051404800.db2.gz FVHQJGRMCJPBKG-HNNXBMFYSA-N 1 0 321.415 4.244 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C(C)(C)c1cccc(Br)c1 ZINC001172484320 1051404843 /nfs/dbraw/zinc/40/48/43/1051404843.db2.gz COABHRSOFXYRHJ-GFCCVEGCSA-N 1 0 309.251 4.356 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001172487077 1051405962 /nfs/dbraw/zinc/40/59/62/1051405962.db2.gz JJPQPFPVXVDDLM-RISCZKNCSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCc2c1cccc2OC(F)(F)F ZINC001172487505 1051415334 /nfs/dbraw/zinc/41/53/34/1051415334.db2.gz HWXQKYDUDLFTEP-RISCZKNCSA-N 1 0 312.335 4.244 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC001172489628 1051416427 /nfs/dbraw/zinc/41/64/27/1051416427.db2.gz XAJAANQWEINFHD-OAHLLOKOSA-N 1 0 320.864 4.060 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)Cc1ccccc1Br ZINC001172488818 1051417118 /nfs/dbraw/zinc/41/71/18/1051417118.db2.gz OMAFRQSQLQCRJG-STQMWFEESA-N 1 0 309.251 4.052 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001172511722 1051428399 /nfs/dbraw/zinc/42/83/99/1051428399.db2.gz VKVAMJAPVKDYNL-INIZCTEOSA-N 1 0 317.539 4.025 20 30 DIEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)CCCC#N)C2)cc1 ZINC001172498677 1051417796 /nfs/dbraw/zinc/41/77/96/1051417796.db2.gz PUINRLUTJUORGW-FUHWJXTLSA-N 1 0 300.446 4.032 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC(Oc2ccc(Cl)cc2)CC1 ZINC001172491306 1051418396 /nfs/dbraw/zinc/41/83/96/1051418396.db2.gz DPFFYJDIFHPDBL-CQSZACIVSA-N 1 0 306.837 4.266 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(c2cccc(Cl)c2)CCOCC1 ZINC001172492988 1051418418 /nfs/dbraw/zinc/41/84/18/1051418418.db2.gz QNCALWDXZLLHHR-AWEZNQCLSA-N 1 0 306.837 4.018 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001172495039 1051418582 /nfs/dbraw/zinc/41/85/82/1051418582.db2.gz MCPJZQDVKZFACK-MISYRCLQSA-N 1 0 312.457 4.107 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](CC1CCOCC1)c1ccc(F)cc1 ZINC001172491464 1051418710 /nfs/dbraw/zinc/41/87/10/1051418710.db2.gz HBLAOYZWFUBUJP-BEFAXECRSA-N 1 0 318.436 4.355 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000746452393 1051418677 /nfs/dbraw/zinc/41/86/77/1051418677.db2.gz UJNFIXRMPDAPSL-KRWDZBQOSA-N 1 0 306.498 4.399 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](CC1CCOCC1)c1ccccc1F ZINC001172491851 1051418903 /nfs/dbraw/zinc/41/89/03/1051418903.db2.gz KBVVTZQQCBSMPL-KXBFYZLASA-N 1 0 318.436 4.355 20 30 DIEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)CCCC#N)C2)cc1 ZINC001172498678 1051419002 /nfs/dbraw/zinc/41/90/02/1051419002.db2.gz PUINRLUTJUORGW-SJLPKXTDSA-N 1 0 300.446 4.032 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1ccccc1C(N)=O ZINC001172502155 1051419895 /nfs/dbraw/zinc/41/98/95/1051419895.db2.gz OJBDZJFRAXFJQR-QGZVFWFLSA-N 1 0 304.478 4.404 20 30 DIEDRO COc1cccc(CC2CC[NH+]([C@H](C)CCCC#N)CC2)c1 ZINC001172499103 1051420538 /nfs/dbraw/zinc/42/05/38/1051420538.db2.gz VAAGQWWPYDFGNL-MRXNPFEDSA-N 1 0 300.446 4.032 20 30 DIEDRO CC[N@H+](Cc1cccc(Br)c1)[C@@H](C)CCCC#N ZINC001172499094 1051420256 /nfs/dbraw/zinc/42/02/56/1051420256.db2.gz AOZAIJVKFGFETM-ZDUSSCGKSA-N 1 0 309.251 4.353 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCOC2(CCOCC2)C1 ZINC001172500579 1051420287 /nfs/dbraw/zinc/42/02/87/1051420287.db2.gz AORZQGYXVZJNQZ-GOSISDBHSA-N 1 0 311.510 4.397 20 30 DIEDRO COc1cccc(CC2CC[NH+]([C@@H](C)CCCC#N)CC2)c1 ZINC001172499100 1051420306 /nfs/dbraw/zinc/42/03/06/1051420306.db2.gz VAAGQWWPYDFGNL-INIZCTEOSA-N 1 0 300.446 4.032 20 30 DIEDRO CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)[C@H](C)CCCC#N)CC1 ZINC001172499326 1051420353 /nfs/dbraw/zinc/42/03/53/1051420353.db2.gz WEFZPERHISJYNU-KZNAEPCWSA-N 1 0 322.493 4.150 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172501616 1051421044 /nfs/dbraw/zinc/42/10/44/1051421044.db2.gz DYTRGKVLPLFANM-APWZRJJASA-N 1 0 323.477 4.250 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC001172504221 1051422156 /nfs/dbraw/zinc/42/21/56/1051422156.db2.gz DWSLPDQQHJJXKR-VQTJNVASSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001172504538 1051422533 /nfs/dbraw/zinc/42/25/33/1051422533.db2.gz FZGAFQNCZYGLDY-ZWKOTPCHSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001172504535 1051423187 /nfs/dbraw/zinc/42/31/87/1051423187.db2.gz FZGAFQNCZYGLDY-MSOLQXFVSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCCC[C@@H](CC)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001172504057 1051423218 /nfs/dbraw/zinc/42/32/18/1051423218.db2.gz CDHWZRLXWXLNAX-IAGOWNOFSA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001172504545 1051423225 /nfs/dbraw/zinc/42/32/25/1051423225.db2.gz GCIJDZHXAJXKAW-SFHVURJKSA-N 1 0 310.526 4.458 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC001172508366 1051424193 /nfs/dbraw/zinc/42/41/93/1051424193.db2.gz CJRDRGOJICFZEA-TWMKSMIVSA-N 1 0 320.477 4.044 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001172505664 1051424327 /nfs/dbraw/zinc/42/43/27/1051424327.db2.gz RLCQTWVHSWSOGW-JYJNAYRXSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001172508118 1051424435 /nfs/dbraw/zinc/42/44/35/1051424435.db2.gz GLOPRTIJJIBRBE-ROUUACIJSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@H](CC)n1cnc(C[NH3+])c1C(=O)OCC ZINC001172505314 1051425107 /nfs/dbraw/zinc/42/51/07/1051425107.db2.gz LJLAZRWXQOICAE-HNNXBMFYSA-N 1 0 323.481 4.220 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001172505488 1051425450 /nfs/dbraw/zinc/42/54/50/1051425450.db2.gz NZCOEYGQTIFQKK-SJLPKXTDSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001172509125 1051426833 /nfs/dbraw/zinc/42/68/33/1051426833.db2.gz SZZKEEOZYUMJHP-HKUYNNGSSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC001172510716 1051426943 /nfs/dbraw/zinc/42/69/43/1051426943.db2.gz IAGSKVVQYJTKGG-WOJBJXKFSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001172509199 1051427024 /nfs/dbraw/zinc/42/70/24/1051427024.db2.gz TZBOSQKYSSJLAK-QGZVFWFLSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC(N2CCOC2=O)CC1 ZINC001172511445 1051429068 /nfs/dbraw/zinc/42/90/68/1051429068.db2.gz RAFBVMYPOPONAD-QGZVFWFLSA-N 1 0 324.509 4.432 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001172512124 1051429180 /nfs/dbraw/zinc/42/91/80/1051429180.db2.gz ZKMTYUNGEMEFHC-KZNAEPCWSA-N 1 0 308.510 4.211 20 30 DIEDRO CCCCCCCCCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804523627 1051437093 /nfs/dbraw/zinc/43/70/93/1051437093.db2.gz XDKWXZNQWWEMLP-ROUUACIJSA-N 1 0 308.510 4.212 20 30 DIEDRO C=CCOCC[NH2+][C@@H](CCC)c1cccc(C(F)(F)F)c1 ZINC001168825145 1051446030 /nfs/dbraw/zinc/44/60/30/1051446030.db2.gz FOCMKAXMCSBXQM-HNNXBMFYSA-N 1 0 301.352 4.339 20 30 DIEDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccc(C#N)o1 ZINC001172575898 1051448641 /nfs/dbraw/zinc/44/86/41/1051448641.db2.gz LCAPIEVLLYGYEY-SNVBAGLBSA-N 1 0 324.758 4.194 20 30 DIEDRO N#Cc1cccc(OCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001172537581 1051452479 /nfs/dbraw/zinc/45/24/79/1051452479.db2.gz QSUQVPTXHYVSPF-UXHICEINSA-N 1 0 320.436 4.253 20 30 DIEDRO [NH2+]=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Cl)cn1 ZINC001172543377 1051455879 /nfs/dbraw/zinc/45/58/79/1051455879.db2.gz PNZPOWUAHVITER-ZBFHGGJFSA-N 1 0 313.832 4.167 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)cc1 ZINC000766529554 1051467904 /nfs/dbraw/zinc/46/79/04/1051467904.db2.gz PUMLECZYLPHTGW-UWJYYQICSA-N 1 0 322.452 4.184 20 30 DIEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172650789 1051470215 /nfs/dbraw/zinc/47/02/15/1051470215.db2.gz OBJKWBMWWHKXRG-HZPDHXFCSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172650788 1051470933 /nfs/dbraw/zinc/47/09/33/1051470933.db2.gz OBJKWBMWWHKXRG-HOTGVXAUSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172626231 1051476196 /nfs/dbraw/zinc/47/61/96/1051476196.db2.gz JVVKJLFKWYVHBE-JKSUJKDBSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172626229 1051476683 /nfs/dbraw/zinc/47/66/83/1051476683.db2.gz JVVKJLFKWYVHBE-HZPDHXFCSA-N 1 0 310.482 4.110 20 30 DIEDRO CCCCCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670005 1051478413 /nfs/dbraw/zinc/47/84/13/1051478413.db2.gz DWYMNGVSBGPZPB-IBGZPJMESA-N 1 0 316.489 4.128 20 30 DIEDRO CCCCCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172676288 1051478508 /nfs/dbraw/zinc/47/85/08/1051478508.db2.gz KZMLXXAOQPJART-IBGZPJMESA-N 1 0 316.489 4.080 20 30 DIEDRO CC(C)c1ccc(C[C@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC001168969582 1051480965 /nfs/dbraw/zinc/48/09/65/1051480965.db2.gz WWRSTVKAQCMBKK-QGZVFWFLSA-N 1 0 308.425 4.339 20 30 DIEDRO CC(C)c1ccc(C[C@H]2CC[N@H+](Cc3cc(C#N)ccn3)C2)cc1 ZINC001168967800 1051481468 /nfs/dbraw/zinc/48/14/68/1051481468.db2.gz BFVWACWPFAYAOZ-LJQANCHMSA-N 1 0 319.452 4.141 20 30 DIEDRO [NH2+]=C(NC1CCC2(CCCC2)CC1)c1ccc2ccccc2n1 ZINC001172724721 1051483133 /nfs/dbraw/zinc/48/31/33/1051483133.db2.gz YHMYJFLBFQFXCN-UHFFFAOYSA-N 1 0 307.441 4.443 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1 ZINC000766568286 1051490673 /nfs/dbraw/zinc/49/06/73/1051490673.db2.gz OOOHDRUWGLITJW-BBRMVZONSA-N 1 0 311.878 4.364 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1 ZINC000766568288 1051491798 /nfs/dbraw/zinc/49/17/98/1051491798.db2.gz OOOHDRUWGLITJW-CZUORRHYSA-N 1 0 311.878 4.364 20 30 DIEDRO CC(C)C[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001169059052 1051500956 /nfs/dbraw/zinc/50/09/56/1051500956.db2.gz MOFUPPRWYGKJQZ-NRFANRHFSA-N 1 0 306.453 4.348 20 30 DIEDRO CC(C)C[C@@H](Cc1ccccc1)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001169060251 1051502733 /nfs/dbraw/zinc/50/27/33/1051502733.db2.gz XPWBJJVKTRMNHO-INIZCTEOSA-N 1 0 315.848 4.098 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2CCC(Cc3ccccc3)CC2)c1 ZINC001172816990 1051510193 /nfs/dbraw/zinc/51/01/93/1051510193.db2.gz QFRAIZZOVCZMMY-UHFFFAOYSA-N 1 0 304.437 4.449 20 30 DIEDRO N#Cc1ccc(C(=[NH2+])NC2CCC(Cc3ccccc3)CC2)cc1 ZINC001172818110 1051511316 /nfs/dbraw/zinc/51/13/16/1051511316.db2.gz FMJIDZZUVOJXLX-UHFFFAOYSA-N 1 0 317.436 4.065 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCOC2)cc1 ZINC000766583938 1051517142 /nfs/dbraw/zinc/51/71/42/1051517142.db2.gz XYBKCADSCANJPD-PMPSAXMXSA-N 1 0 323.864 4.284 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cc(C#N)cs1 ZINC001172864698 1051523818 /nfs/dbraw/zinc/52/38/18/1051523818.db2.gz GTKCYIGVEGYALQ-JTQLQIEISA-N 1 0 308.809 4.133 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1(C#N)CCCC1 ZINC001172868959 1051526192 /nfs/dbraw/zinc/52/61/92/1051526192.db2.gz ANWRPBQRZBAKII-CYBMUJFWSA-N 1 0 308.878 4.494 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCCCCS ZINC001172866500 1051526704 /nfs/dbraw/zinc/52/67/04/1051526704.db2.gz UBIHAWGZTFMXSK-GFCCVEGCSA-N 1 0 303.874 4.490 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cccc(C#N)c1 ZINC001172838705 1051526762 /nfs/dbraw/zinc/52/67/62/1051526762.db2.gz YLAVJGLVHTYQBN-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO CCCC[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)C1CCC1 ZINC001169110441 1051531696 /nfs/dbraw/zinc/53/16/96/1051531696.db2.gz BCQIAJUVQRWRHB-LJQANCHMSA-N 1 0 300.446 4.276 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1csc(C#N)c1 ZINC001172843940 1051532752 /nfs/dbraw/zinc/53/27/52/1051532752.db2.gz ABHNSHGZUGKTBU-JTQLQIEISA-N 1 0 308.809 4.133 20 30 DIEDRO CC1(C)C[C@@H](Nc2cccc3[nH]cc(CC#N)c32)C[C@@](C)(C[NH3+])C1 ZINC001169151263 1051536988 /nfs/dbraw/zinc/53/69/88/1051536988.db2.gz HWYWZVCBSQKOQP-FOIQADDNSA-N 1 0 324.472 4.190 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(C#N)s1 ZINC001172850743 1051537427 /nfs/dbraw/zinc/53/74/27/1051537427.db2.gz AQDWDKVZOQETBE-SNVBAGLBSA-N 1 0 308.809 4.133 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ncccc2OC)cc1 ZINC001169212007 1051550912 /nfs/dbraw/zinc/55/09/12/1051550912.db2.gz HEZXJLRPMWSXOD-LJQANCHMSA-N 1 0 323.440 4.025 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)CC1 ZINC000177913382 1051555243 /nfs/dbraw/zinc/55/52/43/1051555243.db2.gz UGSUWJNWCIDWLK-INIZCTEOSA-N 1 0 324.468 4.149 20 30 DIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCOc1ccccc1C#N ZINC001169243012 1051562069 /nfs/dbraw/zinc/56/20/69/1051562069.db2.gz HHYMHOFUKFUXSJ-OAHLLOKOSA-N 1 0 320.392 4.343 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCc2cc(C)ccn2)cc1 ZINC001169324616 1051577497 /nfs/dbraw/zinc/57/74/97/1051577497.db2.gz RSPHAOIGSKFKJJ-OAQYLSRUSA-N 1 0 321.468 4.368 20 30 DIEDRO CCC1(CC)CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC001169301841 1051581500 /nfs/dbraw/zinc/58/15/00/1051581500.db2.gz ZMLTWUHDIRWSPT-UHFFFAOYSA-N 1 0 315.417 4.259 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001168454108 1051590114 /nfs/dbraw/zinc/59/01/14/1051590114.db2.gz MBOYSQGZNGUEBD-NSHDSACASA-N 1 0 324.321 4.181 20 30 DIEDRO C=CCCC[NH2+][C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170472120 1051594980 /nfs/dbraw/zinc/59/49/80/1051594980.db2.gz XKIIJMCPYZTICW-OSYLJGHBSA-N 1 0 324.509 4.499 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCc2cc3ccccc3o2)cc1 ZINC000152574652 1051615239 /nfs/dbraw/zinc/61/52/39/1051615239.db2.gz KRABSZMUGZRCKM-OAHLLOKOSA-N 1 0 320.392 4.056 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2cc3ccccc3o2)cc1 ZINC000152574545 1051615819 /nfs/dbraw/zinc/61/58/19/1051615819.db2.gz KRABSZMUGZRCKM-HNNXBMFYSA-N 1 0 320.392 4.056 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000619655179 1051619531 /nfs/dbraw/zinc/61/95/31/1051619531.db2.gz ZFYXSOORTDJUAJ-UHFFFAOYSA-N 1 0 313.832 4.308 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC001169494578 1051629204 /nfs/dbraw/zinc/62/92/04/1051629204.db2.gz LYXREFOQKMOBPS-BFQNTYOBSA-N 1 0 310.363 4.491 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2oc(-c3ccccc3)cc2C#N)c1F ZINC001216219953 1051631500 /nfs/dbraw/zinc/63/15/00/1051631500.db2.gz DKJHFUNVTFVXEU-UHFFFAOYSA-N 1 0 321.355 4.420 20 30 DIEDRO CCCC[N@H+](CCC#N)C1CCC(Oc2ccccc2)CC1 ZINC001173203685 1051633020 /nfs/dbraw/zinc/63/30/20/1051633020.db2.gz CMEFXVMWDGUDKK-UHFFFAOYSA-N 1 0 300.446 4.392 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(C#N)c(Cl)c2C)c1F ZINC001216225789 1051633070 /nfs/dbraw/zinc/63/30/70/1051633070.db2.gz XXSFXGJWLDRVMY-UHFFFAOYSA-N 1 0 303.768 4.122 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1F ZINC000493543912 1051634744 /nfs/dbraw/zinc/63/47/44/1051634744.db2.gz KOVUUDWMJBHEOD-YLJYHZDGSA-N 1 0 308.400 4.198 20 30 DIEDRO CC(C)[Si](C#C[NH2+][C@@H](C)c1cnccn1)(C(C)C)C(C)C ZINC001169529457 1051635076 /nfs/dbraw/zinc/63/50/76/1051635076.db2.gz KLTYQIDJCHZRRC-INIZCTEOSA-N 1 0 303.526 4.306 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2cc(C#N)ccc2Cl)c1F ZINC001216231954 1051640089 /nfs/dbraw/zinc/64/00/89/1051640089.db2.gz QTNQEDQPWBPKLW-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H](C#N)C1 ZINC001173208494 1051647225 /nfs/dbraw/zinc/64/72/25/1051647225.db2.gz AROCVYXENQQXQM-ZWKOTPCHSA-N 1 0 304.437 4.443 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H](CCCC)CC(C)C)C2)C1=O ZINC001173263276 1051663465 /nfs/dbraw/zinc/66/34/65/1051663465.db2.gz VNKSBDFINDCAMQ-QUCCMNQESA-N 1 0 320.521 4.092 20 30 DIEDRO C/C(=N\O)c1ccc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)cc1 ZINC001169688907 1051673620 /nfs/dbraw/zinc/67/36/20/1051673620.db2.gz AEEMDDWYSKPRHR-ALDSOSFCSA-N 1 0 309.413 4.125 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(CC#N)c(C)c1 ZINC001169691674 1051673975 /nfs/dbraw/zinc/67/39/75/1051673975.db2.gz PRRLNXHPRDLAJE-LJQANCHMSA-N 1 0 305.425 4.301 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(F)cc(CC#N)c1 ZINC001169688998 1051674176 /nfs/dbraw/zinc/67/41/76/1051674176.db2.gz CHYJHTUTZNBWJD-SFHVURJKSA-N 1 0 309.388 4.132 20 30 DIEDRO C[N@H+](CC#Cc1ccccc1Cl)Cc1cccc2[nH]ccc21 ZINC000493999664 1051676084 /nfs/dbraw/zinc/67/60/84/1051676084.db2.gz LCRNADGRXINODU-UHFFFAOYSA-N 1 0 308.812 4.305 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+]C1CCN(C2COC2)CC1 ZINC001173309248 1051681321 /nfs/dbraw/zinc/68/13/21/1051681321.db2.gz GRIDGPAJAWLJMV-GOSISDBHSA-N 1 0 324.553 4.359 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001173308462 1051681343 /nfs/dbraw/zinc/68/13/43/1051681343.db2.gz AHRXDOFLOYBPLF-KRWDZBQOSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CCN(CCC#N)CC1 ZINC001173310385 1051682123 /nfs/dbraw/zinc/68/21/23/1051682123.db2.gz UETJSZUXZOYJFT-LJQANCHMSA-N 1 0 307.526 4.437 20 30 DIEDRO CCCCCCCC[C@@H](CCC)NC1(C#N)CC[NH+](C)CC1 ZINC001173309293 1051682320 /nfs/dbraw/zinc/68/23/20/1051682320.db2.gz GYESCZQEPDZBBU-GOSISDBHSA-N 1 0 307.526 4.483 20 30 DIEDRO C=CCOC1CCC(n2c(C)c(C)c3cc(C[NH3+])ccc32)CC1 ZINC001173311641 1051683751 /nfs/dbraw/zinc/68/37/51/1051683751.db2.gz NBQGNKJKVVTKEZ-UHFFFAOYSA-N 1 0 312.457 4.403 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+]C1CCS(=O)(=O)CC1 ZINC001173310735 1051684047 /nfs/dbraw/zinc/68/40/47/1051684047.db2.gz YGOBZVHCYBRTEE-MRXNPFEDSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCCC[C@H](CCC)[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001173310866 1051684686 /nfs/dbraw/zinc/68/46/86/1051684686.db2.gz ZISUDVFOCMMBEY-PKOBYXMFSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173310772 1051684702 /nfs/dbraw/zinc/68/47/02/1051684702.db2.gz YUVGCSSUINZVKG-IRXDYDNUSA-N 1 0 309.498 4.007 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001173313533 1051684801 /nfs/dbraw/zinc/68/48/01/1051684801.db2.gz AAFIYRBYPNILLV-UHFFFAOYSA-N 1 0 322.452 4.352 20 30 DIEDRO CC[C@@H]1CC[C@H]([NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001173282721 1051685808 /nfs/dbraw/zinc/68/58/08/1051685808.db2.gz HPTXRRHLJDCVJG-CVEARBPZSA-N 1 0 300.421 4.262 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494060957 1051686033 /nfs/dbraw/zinc/68/60/33/1051686033.db2.gz SETJRRGDUGMHKA-UHFFFAOYSA-N 1 0 324.449 4.459 20 30 DIEDRO N#CC12CCC(Nc3cc(C[NH+]4CCCCC4)ccn3)(CC1)CC2 ZINC001169746804 1051686028 /nfs/dbraw/zinc/68/60/28/1051686028.db2.gz OZIMSULCUCCWHE-UHFFFAOYSA-N 1 0 324.472 4.096 20 30 DIEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1cccc2[nH]ccc21 ZINC000494060366 1051686095 /nfs/dbraw/zinc/68/60/95/1051686095.db2.gz MLFLJROFDIJFOU-UHFFFAOYSA-N 1 0 308.812 4.305 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C1CC(CO)(CO)C1 ZINC001173285195 1051687772 /nfs/dbraw/zinc/68/77/72/1051687772.db2.gz QDYLGXWUETXIQZ-KRWDZBQOSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC001173284270 1051687844 /nfs/dbraw/zinc/68/78/44/1051687844.db2.gz DUJOYGZTJOPGCI-QZTJIDSGSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC001173284272 1051688866 /nfs/dbraw/zinc/68/88/66/1051688866.db2.gz DUJOYGZTJOPGCI-ZWKOTPCHSA-N 1 0 310.526 4.364 20 30 DIEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000805839846 1051689286 /nfs/dbraw/zinc/68/92/86/1051689286.db2.gz UGIOFEJACBSQEK-WBVHZDCISA-N 1 0 300.446 4.236 20 30 DIEDRO N#CCC1CCC(n2c(C[NH3+])cc3cc(Cl)ccc32)CC1 ZINC001173325823 1051692209 /nfs/dbraw/zinc/69/22/09/1051692209.db2.gz OXSVJTAHRMPFGL-UHFFFAOYSA-N 1 0 301.821 4.398 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC001169755430 1051692260 /nfs/dbraw/zinc/69/22/60/1051692260.db2.gz WHHSZBIEADSJPY-LJQANCHMSA-N 1 0 312.388 4.063 20 30 DIEDRO N#CCC1CCC(n2cc(CC[NH3+])c3cc(Cl)ccc32)CC1 ZINC001173325251 1051692603 /nfs/dbraw/zinc/69/26/03/1051692603.db2.gz FUBQNZYXHOUVSA-UHFFFAOYSA-N 1 0 315.848 4.441 20 30 DIEDRO C=CCOC1CCC([N@@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001173322900 1051692906 /nfs/dbraw/zinc/69/29/06/1051692906.db2.gz PFEDPEJFVASFGX-IVMQYODDSA-N 1 0 317.473 4.072 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2ccccc2OC)CC1 ZINC001173327921 1051694767 /nfs/dbraw/zinc/69/47/67/1051694767.db2.gz VUCANJZQJVFWFE-FAFZWHIHSA-N 1 0 315.457 4.346 20 30 DIEDRO C=CCOC1CCC([N@H+](C)CCc2cccc(Cl)c2)CC1 ZINC001173327519 1051695045 /nfs/dbraw/zinc/69/50/45/1051695045.db2.gz NIRJOHDDDCELIB-UHFFFAOYSA-N 1 0 307.865 4.328 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC001173329113 1051695261 /nfs/dbraw/zinc/69/52/61/1051695261.db2.gz BLVWFGNVHZWWEF-UHFFFAOYSA-N 1 0 313.264 4.073 20 30 DIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(C3CCC(CC#N)CC3)c2c1 ZINC001173328674 1051695330 /nfs/dbraw/zinc/69/53/30/1051695330.db2.gz JIIONIOXMKVTLV-HJOIGYKYSA-N 1 0 309.457 4.484 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC001173326760 1051695580 /nfs/dbraw/zinc/69/55/80/1051695580.db2.gz PTFSSSDSQRGGNU-AFMYVXGZSA-N 1 0 315.457 4.346 20 30 DIEDRO CCc1cc2c(cc1CC)CC([NH2+]C1CCC(CC#N)CC1)C2 ZINC001173332039 1051696515 /nfs/dbraw/zinc/69/65/15/1051696515.db2.gz GSMUMYSAIDGGPV-UHFFFAOYSA-N 1 0 310.485 4.341 20 30 DIEDRO Cc1ccc(OC2CC[NH+](C3CCC(CC#N)CC3)CC2)cc1 ZINC001173335674 1051697272 /nfs/dbraw/zinc/69/72/72/1051697272.db2.gz USYMSGPEGDKORC-UHFFFAOYSA-N 1 0 312.457 4.311 20 30 DIEDRO N#CCC1CCC([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001173336592 1051697303 /nfs/dbraw/zinc/69/73/03/1051697303.db2.gz FRSANZNTSTXFFP-PVARCSIZSA-N 1 0 318.461 4.465 20 30 DIEDRO N#CCC1CCC(n2nc(C3CC[NH2+]CC3)c3ccccc32)CC1 ZINC001173336792 1051697738 /nfs/dbraw/zinc/69/77/38/1051697738.db2.gz LUFGDTPGMOBTEC-UHFFFAOYSA-N 1 0 322.456 4.148 20 30 DIEDRO N#CCC1CCC([NH2+]CCC(C(F)(F)F)C(F)(F)F)CC1 ZINC001173332795 1051697879 /nfs/dbraw/zinc/69/78/79/1051697879.db2.gz TZSZSNBGQXYJJC-UHFFFAOYSA-N 1 0 316.289 4.179 20 30 DIEDRO N#CCC1CCC([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001173339947 1051699203 /nfs/dbraw/zinc/69/92/03/1051699203.db2.gz VZSYRZZBBYBPQA-LEOMRAHMSA-N 1 0 315.486 4.111 20 30 DIEDRO C=CC[N@@H+](C)C1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170492026 1051701422 /nfs/dbraw/zinc/70/14/22/1051701422.db2.gz LQYAUGZPFYGBCE-HUUCEWRRSA-N 1 0 310.482 4.061 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC001169791865 1051701125 /nfs/dbraw/zinc/70/11/25/1051701125.db2.gz OBSDXHJYAJHMRY-RTBURBONSA-N 1 0 311.510 4.397 20 30 DIEDRO C=CCOCC[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC001169791878 1051702664 /nfs/dbraw/zinc/70/26/64/1051702664.db2.gz OYJNJTQETOKUDN-INIZCTEOSA-N 1 0 324.262 4.097 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC001173315743 1051708487 /nfs/dbraw/zinc/70/84/87/1051708487.db2.gz RKHGPKSCDDUEPN-UHFFFAOYSA-N 1 0 315.457 4.004 20 30 DIEDRO C=CCOC1CCC(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)CC1 ZINC001173314383 1051709091 /nfs/dbraw/zinc/70/90/91/1051709091.db2.gz PQRVOYUGODIJJD-FAFZWHIHSA-N 1 0 314.473 4.109 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC001173314705 1051709591 /nfs/dbraw/zinc/70/95/91/1051709591.db2.gz UJXSBTJUUCKRDS-HIEASXQVSA-N 1 0 305.849 4.299 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2cc3ccccc3cc2O)CC1 ZINC001173317873 1051710211 /nfs/dbraw/zinc/71/02/11/1051710211.db2.gz LDWXGLHICVGIBF-UHFFFAOYSA-N 1 0 311.425 4.149 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC001173315961 1051710306 /nfs/dbraw/zinc/71/03/06/1051710306.db2.gz UHTHFOUCPOQYKH-UHFFFAOYSA-N 1 0 305.849 4.433 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(Cc3cccc(F)c3)CCC2)CC1 ZINC001173318767 1051710974 /nfs/dbraw/zinc/71/09/74/1051710974.db2.gz LDHGKNPZZCAWLZ-UHFFFAOYSA-N 1 0 317.448 4.394 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC001173318773 1051711089 /nfs/dbraw/zinc/71/10/89/1051711089.db2.gz LMADQUNSXATOBX-ZOJXTTQQSA-N 1 0 303.421 4.307 20 30 DIEDRO C=CCOC1CCC([NH2+]CCc2cccc(Cl)c2F)CC1 ZINC001173318761 1051711344 /nfs/dbraw/zinc/71/13/44/1051711344.db2.gz KTNMXGULLLLBON-UHFFFAOYSA-N 1 0 311.828 4.125 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)Cc2ccccc2OC)CC1 ZINC001173317904 1051711673 /nfs/dbraw/zinc/71/16/73/1051711673.db2.gz QDCJYZFCZCGTSR-UHFFFAOYSA-N 1 0 317.473 4.120 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2cccc3nsnc32)CCCC1(C)C ZINC001169843424 1051712089 /nfs/dbraw/zinc/71/20/89/1051712089.db2.gz CJKNQBDYOVHZRB-HNNXBMFYSA-N 1 0 301.459 4.258 20 30 DIEDRO C=CCOC1CCC([NH2+]CC2(Cc3ccccc3C)CC2)CC1 ZINC001173318914 1051711873 /nfs/dbraw/zinc/71/18/73/1051711873.db2.gz PZNROSCUULHBPG-UHFFFAOYSA-N 1 0 313.485 4.421 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2nccn2Cc2ccccc2)CCCC1(C)C ZINC001169843696 1051712380 /nfs/dbraw/zinc/71/23/80/1051712380.db2.gz HYIXEFSJBFKYHI-IBGZPJMESA-N 1 0 323.484 4.498 20 30 DIEDRO C=CCOC1CCC([NH2+]CC2(Cc3ccc(C)cc3)CC2)CC1 ZINC001173319107 1051712360 /nfs/dbraw/zinc/71/23/60/1051712360.db2.gz YOADEBARFKEDJI-UHFFFAOYSA-N 1 0 313.485 4.421 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001173319329 1051712791 /nfs/dbraw/zinc/71/27/91/1051712791.db2.gz FSMRPRBQJSXWGK-UHFFFAOYSA-N 1 0 305.849 4.212 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001169865050 1051719174 /nfs/dbraw/zinc/71/91/74/1051719174.db2.gz XFDBACITBSUHFZ-DOMZBBRYSA-N 1 0 300.229 4.067 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001169865052 1051720071 /nfs/dbraw/zinc/72/00/71/1051720071.db2.gz XFDBACITBSUHFZ-SWLSCSKDSA-N 1 0 300.229 4.067 20 30 DIEDRO C#CCC[NH2+][C@@](C)(CCCC)c1cccc(Br)c1 ZINC001169933556 1051729616 /nfs/dbraw/zinc/72/96/16/1051729616.db2.gz PPCVPFJWWSIYKT-INIZCTEOSA-N 1 0 308.263 4.467 20 30 DIEDRO C#CCCC[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000766907005 1051738913 /nfs/dbraw/zinc/73/89/13/1051738913.db2.gz NOTPYVBJZMLDRP-GOSISDBHSA-N 1 0 315.363 4.380 20 30 DIEDRO C=C(Cl)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001170499202 1051742751 /nfs/dbraw/zinc/74/27/51/1051742751.db2.gz FBJKVVDWPGZYLB-CYBMUJFWSA-N 1 0 314.654 4.066 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806174795 1051746322 /nfs/dbraw/zinc/74/63/22/1051746322.db2.gz NSSYNVSZYITMSH-GJZGRUSLSA-N 1 0 301.352 4.073 20 30 DIEDRO Cc1cc(C)cc(OC[C@H](C)[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC001173587026 1051753611 /nfs/dbraw/zinc/75/36/11/1051753611.db2.gz KMJDLSURVPIITA-MUYFXNHWSA-N 1 0 300.446 4.133 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001173592544 1051754860 /nfs/dbraw/zinc/75/48/60/1051754860.db2.gz SPNODYBYPSZFAS-UHFFFAOYSA-N 1 0 307.441 4.016 20 30 DIEDRO COc1ccc(CC(C)(C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC001173591946 1051755806 /nfs/dbraw/zinc/75/58/06/1051755806.db2.gz ZOIUJPIUQCUJSN-UHFFFAOYSA-N 1 0 300.446 4.078 20 30 DIEDRO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CCC(C)(C#N)CC1 ZINC001173592310 1051755853 /nfs/dbraw/zinc/75/58/53/1051755853.db2.gz MPYIJPQKJNGKSM-VQSBYGRUSA-N 1 0 314.473 4.421 20 30 DIEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1C1CCC(C)(C#N)CC1 ZINC001173588451 1051755993 /nfs/dbraw/zinc/75/59/93/1051755993.db2.gz IAKQMYDGBJNNFX-ASFAAARLSA-N 1 0 308.429 4.215 20 30 DIEDRO CC1(C#N)CCC(n2c3ccccc3nc2C2CC[NH2+]CC2)CC1 ZINC001173592513 1051756035 /nfs/dbraw/zinc/75/60/35/1051756035.db2.gz RQWCRTUFIJALCW-UHFFFAOYSA-N 1 0 322.456 4.148 20 30 DIEDRO Cc1ccc2c(c1)c1c(n2C2CCC(C)(C#N)CC2)CC[NH2+]C1 ZINC001173596273 1051757473 /nfs/dbraw/zinc/75/74/73/1051757473.db2.gz QCVRSLUSXWAAOU-UHFFFAOYSA-N 1 0 307.441 4.240 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001173601114 1051757925 /nfs/dbraw/zinc/75/79/25/1051757925.db2.gz OXAMUIFEENDPFA-UHFFFAOYSA-N 1 0 307.441 4.210 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000806167977 1051768731 /nfs/dbraw/zinc/76/87/31/1051768731.db2.gz PEWFHTVKWYQJTM-INIZCTEOSA-N 1 0 316.445 4.430 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc2c(c1)CCCO2 ZINC000806178333 1051772624 /nfs/dbraw/zinc/77/26/24/1051772624.db2.gz SFKQOQCQNRASEY-QGZVFWFLSA-N 1 0 300.446 4.382 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CC[C@@H](CC(=O)OCC)C1)c1ccccc1 ZINC001173651992 1051777144 /nfs/dbraw/zinc/77/71/44/1051777144.db2.gz PVIJCRZXJXYHRU-BPQIPLTHSA-N 1 0 301.430 4.015 20 30 DIEDRO C[C@@H](CC#N)[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173701539 1051784381 /nfs/dbraw/zinc/78/43/81/1051784381.db2.gz AZKAOVGJAHMFRF-JXFKEZNVSA-N 1 0 320.436 4.015 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000185847325 1051786466 /nfs/dbraw/zinc/78/64/66/1051786466.db2.gz QDILZDHAFKSWID-MFKMUULPSA-N 1 0 314.763 4.113 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185890721 1051788266 /nfs/dbraw/zinc/78/82/66/1051788266.db2.gz KUARDPTZBDFWJK-XLIONFOSSA-N 1 0 315.420 4.397 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000185874955 1051788806 /nfs/dbraw/zinc/78/88/06/1051788806.db2.gz ZOAVTZVODGNXAH-GXTWGEPZSA-N 1 0 306.812 4.183 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c1 ZINC000767371741 1051798064 /nfs/dbraw/zinc/79/80/64/1051798064.db2.gz ZUFOIVPRVOHBMZ-SBHAEUEKSA-N 1 0 320.436 4.261 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173783778 1051800258 /nfs/dbraw/zinc/80/02/58/1051800258.db2.gz HVAVJAQIVWRYKY-NLPFYKDJSA-N 1 0 313.441 4.030 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001168463688 1051816226 /nfs/dbraw/zinc/81/62/26/1051816226.db2.gz BHDXFSXOQBZDOT-CYBMUJFWSA-N 1 0 322.383 4.021 20 30 DIEDRO C=C(C)[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC000186454003 1051817682 /nfs/dbraw/zinc/81/76/82/1051817682.db2.gz GZCPFCVEVJZRTH-SFHVURJKSA-N 1 0 322.443 4.435 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1cccc2nccn21)c1ccc(F)c(F)c1 ZINC000187370947 1051842691 /nfs/dbraw/zinc/84/26/91/1051842691.db2.gz XLYARXAXETYRIE-SFHVURJKSA-N 1 0 313.351 4.020 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cncs3)c2)s1 ZINC000767920701 1051862073 /nfs/dbraw/zinc/86/20/73/1051862073.db2.gz QNYJMBCNNPHYOA-UHFFFAOYSA-N 1 0 311.435 4.033 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCC(C)(C)C2)c1 ZINC000767919779 1051862254 /nfs/dbraw/zinc/86/22/54/1051862254.db2.gz BXGKHEXHHFOQEM-DLBZAZTESA-N 1 0 300.446 4.426 20 30 DIEDRO Cc1ccc(C)c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000609195143 1051883536 /nfs/dbraw/zinc/88/35/36/1051883536.db2.gz XTNJZZIOACYGJU-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO C=CC[C@@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)c1ccccc1 ZINC001169987883 1051891296 /nfs/dbraw/zinc/89/12/96/1051891296.db2.gz FGJHDGNQHGGDED-QGZVFWFLSA-N 1 0 302.462 4.304 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1sc2c(c1C#N)CCCC2 ZINC001173927606 1051899947 /nfs/dbraw/zinc/89/99/47/1051899947.db2.gz JPNRGKZCSXMVFD-UHFFFAOYSA-N 1 0 311.454 4.304 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1cc(OCC)ccc1O ZINC000768197659 1051899966 /nfs/dbraw/zinc/89/99/66/1051899966.db2.gz LQQGHBNLCWPCCA-UHFFFAOYSA-N 1 0 303.427 4.041 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1cc(C#N)cc(C(F)(F)F)c1 ZINC001173931545 1051902124 /nfs/dbraw/zinc/90/21/24/1051902124.db2.gz HGZFQZABQMKKTA-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(C#N)c(Cl)c1F ZINC001173930530 1051903331 /nfs/dbraw/zinc/90/33/31/1051903331.db2.gz IGZWGZIIKBIBEN-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)cc1 ZINC000768237589 1051908134 /nfs/dbraw/zinc/90/81/34/1051908134.db2.gz QVCAYPJMUYUVEH-QGZVFWFLSA-N 1 0 323.436 4.290 20 30 DIEDRO CC[N@H+](CCc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000768334252 1051918912 /nfs/dbraw/zinc/91/89/12/1051918912.db2.gz CNQJWJXYMMDOJI-UHFFFAOYSA-N 1 0 321.468 4.101 20 30 DIEDRO CC(C)[N@H+](Cc1cccs1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768334945 1051920095 /nfs/dbraw/zinc/92/00/95/1051920095.db2.gz RYKKSDDVMFPIDH-OAHLLOKOSA-N 1 0 314.454 4.450 20 30 DIEDRO CS[C@@H]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000768400873 1051925178 /nfs/dbraw/zinc/92/51/78/1051925178.db2.gz AUWHHLFHRPBVEL-CXUOOODFSA-N 1 0 314.498 4.264 20 30 DIEDRO C[C@@H](Cc1ccco1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768401185 1051926234 /nfs/dbraw/zinc/92/62/34/1051926234.db2.gz JFGBJPSDDCHOAU-VQSBYGRUSA-N 1 0 308.425 4.204 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)COC2 ZINC000768482387 1051934521 /nfs/dbraw/zinc/93/45/21/1051934521.db2.gz BMGAKEPGRCXART-UHFFFAOYSA-N 1 0 306.409 4.001 20 30 DIEDRO CC[N@H+](Cc1ccc2c(c1)COC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000768514876 1051942667 /nfs/dbraw/zinc/94/26/67/1051942667.db2.gz YKFNWWYFDWHKAB-HNNXBMFYSA-N 1 0 306.409 4.172 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1csc(Cl)c1 ZINC000191372910 1051973748 /nfs/dbraw/zinc/97/37/48/1051973748.db2.gz BRBSMQIKFGNXMP-NSHDSACASA-N 1 0 306.818 4.003 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1Cl ZINC000768872857 1051974124 /nfs/dbraw/zinc/97/41/24/1051974124.db2.gz KVZAZMYYSFMEMH-UHFFFAOYSA-N 1 0 317.816 4.242 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191562940 1051977861 /nfs/dbraw/zinc/97/78/61/1051977861.db2.gz HPRXISNMFSBOSZ-DZGCQCFKSA-N 1 0 315.417 4.141 20 30 DIEDRO CCCCCCCCC(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C ZINC001131228373 1051993763 /nfs/dbraw/zinc/99/37/63/1051993763.db2.gz GSFLHTIESWDHLX-MSOLQXFVSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCCC(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C ZINC001131228376 1051994586 /nfs/dbraw/zinc/99/45/86/1051994586.db2.gz GSFLHTIESWDHLX-ZWKOTPCHSA-N 1 0 310.526 4.458 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769106640 1051995565 /nfs/dbraw/zinc/99/55/65/1051995565.db2.gz VTVMJKDYVRULHW-MGPUTAFESA-N 1 0 322.408 4.020 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)s1 ZINC000769121444 1051999644 /nfs/dbraw/zinc/99/96/44/1051999644.db2.gz MHFVAVJKHQHRCF-UHFFFAOYSA-N 1 0 321.449 4.481 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000192161026 1052000531 /nfs/dbraw/zinc/00/05/31/1052000531.db2.gz YZTHFUMGZMVNBA-GOSISDBHSA-N 1 0 312.416 4.451 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000192160466 1052001854 /nfs/dbraw/zinc/00/18/54/1052001854.db2.gz ZQULBFNFIKWGML-GOSISDBHSA-N 1 0 312.416 4.451 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccnc2ccccc12 ZINC000769146287 1052002047 /nfs/dbraw/zinc/00/20/47/1052002047.db2.gz RQOUQZOEXWCOFI-UHFFFAOYSA-N 1 0 304.368 4.009 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(C)(C)C)CC2)cc1 ZINC000769208629 1052009919 /nfs/dbraw/zinc/00/99/19/1052009919.db2.gz NBDTXMCGNLTLIR-OAHLLOKOSA-N 1 0 300.446 4.236 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000769228448 1052010274 /nfs/dbraw/zinc/01/02/74/1052010274.db2.gz ANLZKTZCQLCWPI-UHFFFAOYSA-N 1 0 311.510 4.399 20 30 DIEDRO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769234538 1052011108 /nfs/dbraw/zinc/01/11/08/1052011108.db2.gz UKAKFIJEUIFXHE-IEBWSBKVSA-N 1 0 320.436 4.275 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005557 1052019733 /nfs/dbraw/zinc/01/97/33/1052019733.db2.gz RIIQLWNJWGLCCS-UHFFFAOYSA-N 1 0 302.462 4.085 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C12CCCCC2 ZINC001170005308 1052026681 /nfs/dbraw/zinc/02/66/81/1052026681.db2.gz VNSWHBYROBVXTN-ZYSHUDEJSA-N 1 0 312.457 4.337 20 30 DIEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)cc(C)c1OC(F)F ZINC000808429842 1052030501 /nfs/dbraw/zinc/03/05/01/1052030501.db2.gz JDVGAMUGOBFJQO-UHFFFAOYSA-N 1 0 310.388 4.324 20 30 DIEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769403284 1052042783 /nfs/dbraw/zinc/04/27/83/1052042783.db2.gz BTLVCHJEWRKEDB-POAQFYNOSA-N 1 0 311.473 4.189 20 30 DIEDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000769426902 1052044795 /nfs/dbraw/zinc/04/47/95/1052044795.db2.gz KDQDGHPEPKVAIT-SJLPKXTDSA-N 1 0 300.446 4.236 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(-c3cccnc3)c2)c1 ZINC000769394181 1052050471 /nfs/dbraw/zinc/05/04/71/1052050471.db2.gz CLDJAKXMOYJJKM-UHFFFAOYSA-N 1 0 317.367 4.049 20 30 DIEDRO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000769463202 1052060694 /nfs/dbraw/zinc/06/06/94/1052060694.db2.gz OIUCTPSCVLRVJK-QZTJIDSGSA-N 1 0 322.452 4.349 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C3CCCC3)CC2)cc1 ZINC000769503289 1052067899 /nfs/dbraw/zinc/06/78/99/1052067899.db2.gz WPSNOVLRRRHPPX-INIZCTEOSA-N 1 0 312.457 4.380 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC23CCCCC3)cc1 ZINC000769506556 1052071364 /nfs/dbraw/zinc/07/13/64/1052071364.db2.gz WYGFEJYBZQLTDI-UHFFFAOYSA-N 1 0 311.473 4.335 20 30 DIEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769538857 1052077287 /nfs/dbraw/zinc/07/72/87/1052077287.db2.gz YKWXIYGQNJYFKX-TXPKVOOTSA-N 1 0 300.446 4.378 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@@H]1c1ccccc1 ZINC000769539767 1052079052 /nfs/dbraw/zinc/07/90/52/1052079052.db2.gz MQDOJRILNLXHTF-UTKZUKDTSA-N 1 0 319.452 4.229 20 30 DIEDRO C[C@H]1C[NH2+]CCC[C@H]1OCc1ccc(-c2ccccc2C#N)cc1 ZINC001217772122 1052139534 /nfs/dbraw/zinc/13/95/34/1052139534.db2.gz ABHDTJCXNYHQJD-HRAATJIYSA-N 1 0 320.436 4.130 20 30 DIEDRO C[C@@H]1C[NH2+]CCC[C@@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217778248 1052140033 /nfs/dbraw/zinc/14/00/33/1052140033.db2.gz KZILYBPCBMXVQB-HOWSWSOSSA-N 1 0 308.425 4.170 20 30 DIEDRO C[C@@H](O/C(=N/c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC001217779051 1052141843 /nfs/dbraw/zinc/14/18/43/1052141843.db2.gz QQHHQKAUJSJFQW-UMIVRTMYSA-N 1 0 308.425 4.170 20 30 DIEDRO C[C@@H]1CC[NH2+]CC[C@H]1OCc1ccc(-c2ccccc2C#N)cc1 ZINC001217779814 1052141945 /nfs/dbraw/zinc/14/19/45/1052141945.db2.gz DIANFFPDXJNGDK-IIBYNOLFSA-N 1 0 320.436 4.130 20 30 DIEDRO CCCCCCCCCCCCOC[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001217800335 1052145181 /nfs/dbraw/zinc/14/51/81/1052145181.db2.gz MJMOSXNAIWTHEL-IPMKNSEASA-N 1 0 311.510 4.158 20 30 DIEDRO c1ccc(/N=C(/O[C@H]2CCC[C@]23CC[NH2+]C3)c2ccccc2)cc1 ZINC001217804499 1052146567 /nfs/dbraw/zinc/14/65/67/1052146567.db2.gz XZOYBIPEDMUCGB-LLLCJTJKSA-N 1 0 320.436 4.314 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](OC[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001217832856 1052151929 /nfs/dbraw/zinc/15/19/29/1052151929.db2.gz LCRAOKMPGCQYSX-BHIYHBOVSA-N 1 0 315.533 4.143 20 30 DIEDRO N#C[C@@H](OCC[C@H]1CC[NH2+]C1)c1cccc(Oc2ccccc2)c1 ZINC001217869875 1052157732 /nfs/dbraw/zinc/15/77/32/1052157732.db2.gz GSCIJAZIAGOHKB-OXQOHEQNSA-N 1 0 322.408 4.060 20 30 DIEDRO C=C[C@]1(C)CC[C@H](C(C)(C)OCCCCC2CC[NH2+]CC2)O1 ZINC001217870343 1052157998 /nfs/dbraw/zinc/15/79/98/1052157998.db2.gz SNKIPOOGKZICNN-IEBWSBKVSA-N 1 0 309.494 4.075 20 30 DIEDRO C=C[C@H](C#CC#CC/C=C\CCCCCCC)OCC1C[NH2+]C1 ZINC001217878234 1052161169 /nfs/dbraw/zinc/16/11/69/1052161169.db2.gz IGPNCOFTOWZMMF-KUFMOJEASA-N 1 0 313.485 4.091 20 30 DIEDRO CCCCCCCC[C@H](C)OC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217891375 1052164804 /nfs/dbraw/zinc/16/48/04/1052164804.db2.gz OPXNPIJNUBISCR-ZWKOTPCHSA-N 1 0 311.510 4.301 20 30 DIEDRO CCCCCCCC[C@@H](CC)OC[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001217897729 1052166989 /nfs/dbraw/zinc/16/69/89/1052166989.db2.gz RIGFRJZDAKGZOC-MANSERQUSA-N 1 0 311.510 4.299 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001168474068 1052172176 /nfs/dbraw/zinc/17/21/76/1052172176.db2.gz KLDCDISGKHYOLB-QGZVFWFLSA-N 1 0 322.427 4.314 20 30 DIEDRO C=C1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000494929535 1052172258 /nfs/dbraw/zinc/17/22/58/1052172258.db2.gz IWELMGHLPAJBIF-UHFFFAOYSA-N 1 0 321.346 4.248 20 30 DIEDRO CCC[C@H](C#Cc1ccccc1)OCCCCC1CC[NH2+]CC1 ZINC001217929255 1052172360 /nfs/dbraw/zinc/17/23/60/1052172360.db2.gz UIHFGXDMECMHCF-OAQYLSRUSA-N 1 0 313.485 4.393 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1O[C@@H](C)c1ccc(Br)cc1 ZINC001217927244 1052172575 /nfs/dbraw/zinc/17/25/75/1052172575.db2.gz PSLTZDKKQBJMKG-APHBMKBZSA-N 1 0 324.262 4.223 20 30 DIEDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001217990159 1052181572 /nfs/dbraw/zinc/18/15/72/1052181572.db2.gz HTQCIDJVGGDLDK-YAGTXNICSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@@H]1C[C@@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)CC[NH2+]1 ZINC001218060228 1052191263 /nfs/dbraw/zinc/19/12/63/1052191263.db2.gz MIIHUOQVAYVGOR-UMGZNDIESA-N 1 0 312.388 4.096 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@H]2CC[NH2+]C[C@H]2F)cc1 ZINC001218066524 1052192404 /nfs/dbraw/zinc/19/24/04/1052192404.db2.gz LTFUDMVEXUTMGI-MJGOQNOKSA-N 1 0 321.436 4.309 20 30 DIEDRO Cc1cccc(C2=CC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC001168475681 1052201179 /nfs/dbraw/zinc/20/11/79/1052201179.db2.gz OVAOUGSNEKZLNS-UHFFFAOYSA-N 1 0 306.384 4.295 20 30 DIEDRO N#Cc1cccc(-c2ccc(OC3CC4(C3)CCC[NH2+]C4)cc2)c1 ZINC001218254614 1052213740 /nfs/dbraw/zinc/21/37/40/1052213740.db2.gz FJJJLKMFSIPVIP-UHFFFAOYSA-N 1 0 318.420 4.136 20 30 DIEDRO C(=N/c1ccc(OC2CC3(C2)CCC[NH2+]C3)cc1)\c1ccccc1 ZINC001218255486 1052214232 /nfs/dbraw/zinc/21/42/32/1052214232.db2.gz WRSCLUKMVISABL-HZHRSRAPSA-N 1 0 320.436 4.348 20 30 DIEDRO F[C@@H]1[C@H]2CC[C@@H](C[C@H]1Oc1ccccc1C=Nc1ccccc1)[NH2+]2 ZINC001218275744 1052216342 /nfs/dbraw/zinc/21/63/42/1052216342.db2.gz UCKRYUJIQBSXJY-ONCXSQPRSA-N 1 0 324.399 4.047 20 30 DIEDRO F[C@H]1[C@H]2CC[C@@H](C[C@H]1Oc1ccccc1C=Nc1ccccc1)[NH2+]2 ZINC001218275738 1052216632 /nfs/dbraw/zinc/21/66/32/1052216632.db2.gz UCKRYUJIQBSXJY-CUDHKJQZSA-N 1 0 324.399 4.047 20 30 DIEDRO N#Cc1cccc(-c2ccc(O[C@H]3CC[NH2+]C4(CCC4)C3)cc2)c1 ZINC001218310556 1052223107 /nfs/dbraw/zinc/22/31/07/1052223107.db2.gz XDTSMUOOIRTDOE-FQEVSTJZSA-N 1 0 318.420 4.279 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@@H]2C=CC[NH2+]C2)cc1 ZINC001218335196 1052227253 /nfs/dbraw/zinc/22/72/53/1052227253.db2.gz UYFNJMCQRQGMRB-GOSISDBHSA-N 1 0 301.430 4.137 20 30 DIEDRO C[C@@H]1CC[C@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)C[NH2+]1 ZINC001218396315 1052233500 /nfs/dbraw/zinc/23/35/00/1052233500.db2.gz AKBYSHPLEXSVJF-DIOBLVDRSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]1CC[C@@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C[NH2+]1 ZINC001218405766 1052235408 /nfs/dbraw/zinc/23/54/08/1052235408.db2.gz MCHFWLWDQQDEMV-AZGVEYCGSA-N 1 0 312.388 4.096 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229690172 1052239075 /nfs/dbraw/zinc/23/90/75/1052239075.db2.gz FEODBKAMPRTIHK-UHFFFAOYSA-N 1 0 324.140 4.013 20 30 DIEDRO CC1(C)C[C@H](Oc2ccc(/N=C/c3ccccc3)cc2)CC[NH2+]1 ZINC001218478839 1052244380 /nfs/dbraw/zinc/24/43/80/1052244380.db2.gz PCJLNYOWMLQBPD-DDNKWHRWSA-N 1 0 308.425 4.347 20 30 DIEDRO N#Cc1cc(Cl)c(O[C@@H]2C[NH2+]Cc3ccccc32)c(Cl)c1 ZINC001218485296 1052245370 /nfs/dbraw/zinc/24/53/70/1052245370.db2.gz GYRLHWAYNULUKY-OAHLLOKOSA-N 1 0 319.191 4.088 20 30 DIEDRO C=C(C)Cc1ccc(C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001218997512 1052266463 /nfs/dbraw/zinc/26/64/63/1052266463.db2.gz DGLLWKUKZGFSNP-LJQANCHMSA-N 1 0 320.436 4.134 20 30 DIEDRO CCCCCCCC(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000914845673 1052269328 /nfs/dbraw/zinc/26/93/28/1052269328.db2.gz ILLZFJLSMZCBLE-UHFFFAOYSA-N 1 0 306.450 4.056 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@H](C)Cc1ccsc1 ZINC000495262268 1052279001 /nfs/dbraw/zinc/27/90/01/1052279001.db2.gz OPOPSORLZPMXTL-CYBMUJFWSA-N 1 0 302.418 4.212 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc(F)c2ccccc12 ZINC001219258686 1052280264 /nfs/dbraw/zinc/28/02/64/1052280264.db2.gz TWPCRPATLSGHIX-KRWDZBQOSA-N 1 0 314.404 4.381 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000324390634 1052309338 /nfs/dbraw/zinc/30/93/38/1052309338.db2.gz PYAMUACPJIWMQI-JKSUJKDBSA-N 1 0 324.424 4.399 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)ccc1C#N ZINC000487895496 1052313567 /nfs/dbraw/zinc/31/35/67/1052313567.db2.gz IKGZIHNNMAPYBA-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO C=CCCCCCCCCC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220160430 1052322325 /nfs/dbraw/zinc/32/23/25/1052322325.db2.gz ZMLUAWUJUNEZBL-UYAOXDASSA-N 1 0 320.521 4.332 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC001220437550 1052333825 /nfs/dbraw/zinc/33/38/25/1052333825.db2.gz FPYOZMFNQGHIHH-ROUUACIJSA-N 1 0 320.452 4.103 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000315889942 1052355402 /nfs/dbraw/zinc/35/54/02/1052355402.db2.gz PMRFMMPWNGECOY-HOTGVXAUSA-N 1 0 306.498 4.404 20 30 DIEDRO CCCOc1cc(C)ccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000153587645 1052401907 /nfs/dbraw/zinc/40/19/07/1052401907.db2.gz BKRICDFMDAZSPU-UHFFFAOYSA-N 1 0 300.427 4.007 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000237779991 1052446239 /nfs/dbraw/zinc/44/62/39/1052446239.db2.gz RTEKRHFPACOKLT-CABCVRRESA-N 1 0 313.363 4.462 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)nc1 ZINC000780555093 1052499775 /nfs/dbraw/zinc/49/97/75/1052499775.db2.gz NNYXDMPSKIIJEV-UHFFFAOYSA-N 1 0 323.396 4.111 20 30 DIEDRO C=CCc1cc(C[N@H+]2Cc3ccccc3[C@H](C)C2)c(O)c(OC)c1 ZINC000915838553 1052501310 /nfs/dbraw/zinc/50/13/10/1052501310.db2.gz GJPRGULGAIWDEU-OAHLLOKOSA-N 1 0 323.436 4.249 20 30 DIEDRO C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000193872193 1052509940 /nfs/dbraw/zinc/50/99/40/1052509940.db2.gz HLUKIBIFTLTJRQ-BTYIYWSLSA-N 1 0 316.404 4.096 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1ccc2c(c1)CCC21CC[NH2+]CC1 ZINC001222654593 1052523217 /nfs/dbraw/zinc/52/32/17/1052523217.db2.gz ARQAQCNSVKZCSB-UHFFFAOYSA-N 1 0 316.448 4.410 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001222648487 1052523433 /nfs/dbraw/zinc/52/34/33/1052523433.db2.gz GEGKMGQPCQNJJS-IBGZPJMESA-N 1 0 305.425 4.394 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000763229873 1052549937 /nfs/dbraw/zinc/54/99/37/1052549937.db2.gz DXGRFTYDKLYYPB-PMACEKPBSA-N 1 0 322.452 4.359 20 30 DIEDRO Cc1ccccc1[C@@H](O[C@H](CC#N)C[N+](C)(C)C)c1ccccc1 ZINC001223125894 1052569713 /nfs/dbraw/zinc/56/97/13/1052569713.db2.gz GSOZWGSSVXORIH-CTNGQTDRSA-N 1 0 323.460 4.090 20 30 DIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2CC2CCCCC2)cc1 ZINC000763406222 1052624218 /nfs/dbraw/zinc/62/42/18/1052624218.db2.gz HCKDAPPMRDFHSG-WOJBJXKFSA-N 1 0 312.457 4.026 20 30 DIEDRO CCC1CCC([N@H+](C[C@H](O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000763396013 1052624248 /nfs/dbraw/zinc/62/42/48/1052624248.db2.gz NZHXTQQQFZEDKU-UPQHMETBSA-N 1 0 312.457 4.025 20 30 DIEDRO N#CC1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000123721339 1052633361 /nfs/dbraw/zinc/63/33/61/1052633361.db2.gz WWIOLYDPCBEXRU-UHFFFAOYSA-N 1 0 306.409 4.001 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000497134266 1052655228 /nfs/dbraw/zinc/65/52/28/1052655228.db2.gz VQMZMNODPNAXDC-UHFFFAOYSA-N 1 0 320.177 4.058 20 30 DIEDRO C[NH+](C)[C@H]1CC[C@H](OCc2ccc(C#N)c3ccccc23)CC1 ZINC001224027873 1052662144 /nfs/dbraw/zinc/66/21/44/1052662144.db2.gz AUZWUYATHSYMJP-IYARVYRRSA-N 1 0 308.425 4.101 20 30 DIEDRO CC[N@@H+]1CCC[C@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224090545 1052666731 /nfs/dbraw/zinc/66/67/31/1052666731.db2.gz JEJTYFNHYRUICY-GEXZYOHASA-N 1 0 308.425 4.266 20 30 DIEDRO N#CCCCC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126394408 1052668972 /nfs/dbraw/zinc/66/89/72/1052668972.db2.gz UMYLPSFCSRKFNX-ZDUSSCGKSA-N 1 0 313.228 4.140 20 30 DIEDRO C[NH+](C)CC[C@@H](O[C@H](C#N)c1ccccc1F)c1ccccc1 ZINC001224136439 1052672150 /nfs/dbraw/zinc/67/21/50/1052672150.db2.gz IBCFXMGCIGEQHM-RTBURBONSA-N 1 0 312.388 4.100 20 30 DIEDRO C=CC[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000917010612 1052679411 /nfs/dbraw/zinc/67/94/11/1052679411.db2.gz IHKRLFLHCMTEDQ-UHFFFAOYSA-N 1 0 306.409 4.015 20 30 DIEDRO C=CCCCCCO[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001224427968 1052696263 /nfs/dbraw/zinc/69/62/63/1052696263.db2.gz OBSZZDXPRBCKOO-AZUAARDMSA-N 1 0 317.473 4.039 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCCCC2(C#N)CCC2)C1 ZINC000929963969 1052701276 /nfs/dbraw/zinc/70/12/76/1052701276.db2.gz AKMADTOBTNRNLM-OTWHNJEPSA-N 1 0 317.521 4.188 20 30 DIEDRO CO[C@H](C)CCOCC[S+](c1ccccc1)c1ccccc1 ZINC001224636875 1052711773 /nfs/dbraw/zinc/71/17/73/1052711773.db2.gz QMFMVOHWMJOPMH-QGZVFWFLSA-N 1 0 317.474 4.165 20 30 DIEDRO CCO[C@@H](C)COCC[S+](c1ccccc1)c1ccccc1 ZINC001224644180 1052712397 /nfs/dbraw/zinc/71/23/97/1052712397.db2.gz XVXGTFKFHHRYEA-KRWDZBQOSA-N 1 0 317.474 4.165 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1CO[C@@H](C#Cc1ccccc1)c1ccccc1 ZINC001224705247 1052718008 /nfs/dbraw/zinc/71/80/08/1052718008.db2.gz DRZZHKNTLVINKM-VXKWHMMOSA-N 1 0 319.448 4.280 20 30 DIEDRO C=C(CO[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1)c1ccccc1 ZINC001224738379 1052721028 /nfs/dbraw/zinc/72/10/28/1052721028.db2.gz DSKSLEQSCPWPKJ-UYAOXDASSA-N 1 0 322.452 4.337 20 30 DIEDRO C=C(CO[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1)c1ccccc1 ZINC001224738375 1052721452 /nfs/dbraw/zinc/72/14/52/1052721452.db2.gz DSKSLEQSCPWPKJ-AZUAARDMSA-N 1 0 322.452 4.337 20 30 DIEDRO CCOc1ccc(O)c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000154382880 1052723613 /nfs/dbraw/zinc/72/36/13/1052723613.db2.gz RNYLBGDLBYKSSB-UHFFFAOYSA-N 1 0 324.424 4.073 20 30 DIEDRO C#CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCc2ccccc21 ZINC000917455908 1052729307 /nfs/dbraw/zinc/72/93/07/1052729307.db2.gz CFKUSEFNXASLKZ-HXUWFJFHSA-N 1 0 305.421 4.132 20 30 DIEDRO N#C[C@H](OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224829054 1052729252 /nfs/dbraw/zinc/72/92/52/1052729252.db2.gz HLTDSJBCOSOBKD-FPOVZHCZSA-N 1 0 320.436 4.180 20 30 DIEDRO Cc1ccccc1[C@@H](C)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000918023825 1052773205 /nfs/dbraw/zinc/77/32/05/1052773205.db2.gz JGAVNTFMHVOTAZ-QGZVFWFLSA-N 1 0 308.425 4.329 20 30 DIEDRO CCC[C@@H](C#Cc1ccccc1)Oc1ccc(C[NH+](C)C)cc1 ZINC001225332199 1052775306 /nfs/dbraw/zinc/77/53/06/1052775306.db2.gz JHMLYXQLAKWUSB-FQEVSTJZSA-N 1 0 307.437 4.347 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccc(C[NH+](C)C)cc2)O1 ZINC001225335280 1052776180 /nfs/dbraw/zinc/77/61/80/1052776180.db2.gz YUTTYGQTSABREN-MJGOQNOKSA-N 1 0 303.446 4.029 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(C2CC2)c1 ZINC000556118741 1052803484 /nfs/dbraw/zinc/80/34/84/1052803484.db2.gz JVRGWLXGWWBUJA-OAHLLOKOSA-N 1 0 306.409 4.165 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1cc(Cl)cc(C#N)c1)c1cccs1 ZINC001225697205 1052818632 /nfs/dbraw/zinc/81/86/32/1052818632.db2.gz DXDPQOROWMEZAE-HNNXBMFYSA-N 1 0 320.845 4.345 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1ccc(C#N)cc1Cl)c1ccccc1 ZINC001225726608 1052821715 /nfs/dbraw/zinc/82/17/15/1052821715.db2.gz FFQSWWKPKONMQF-KRWDZBQOSA-N 1 0 314.816 4.283 20 30 DIEDRO C[C@@H]([C@H](Oc1ccc(F)c(C#N)c1)c1ccccc1)[NH+]1CCCC1 ZINC001225819705 1052835255 /nfs/dbraw/zinc/83/52/55/1052835255.db2.gz HAGUYIBKDRTRSQ-YWZLYKJASA-N 1 0 324.399 4.302 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556598550 1052869468 /nfs/dbraw/zinc/86/94/68/1052869468.db2.gz PKVFRUMLZJFZSX-CQSZACIVSA-N 1 0 321.380 4.115 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000155068733 1052883360 /nfs/dbraw/zinc/88/33/60/1052883360.db2.gz LRDPGDTXWPGWBI-FQEVSTJZSA-N 1 0 319.452 4.026 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H]3CF)c2)c1 ZINC000556949679 1052903619 /nfs/dbraw/zinc/90/36/19/1052903619.db2.gz AGTYOWMCPODXPQ-IBGZPJMESA-N 1 0 324.399 4.071 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@H+](CC)C2CCCC2)c1O ZINC000919938925 1052905700 /nfs/dbraw/zinc/90/57/00/1052905700.db2.gz CYDRINKMKYGKBQ-UHFFFAOYSA-N 1 0 303.446 4.284 20 30 DIEDRO Cc1cc(C#N)cc(C)c1O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001226528008 1052906737 /nfs/dbraw/zinc/90/67/37/1052906737.db2.gz VBQBLRTYNCBWEV-LJQANCHMSA-N 1 0 308.425 4.247 20 30 DIEDRO Cc1ccc(C#N)c(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001226756723 1052927994 /nfs/dbraw/zinc/92/79/94/1052927994.db2.gz SDMZKNBFVWKUBR-XLIONFOSSA-N 1 0 320.436 4.156 20 30 DIEDRO C#CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000920415817 1052938702 /nfs/dbraw/zinc/93/87/02/1052938702.db2.gz OGLIHWMEGQNJPX-UHFFFAOYSA-N 1 0 321.449 4.056 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000920810006 1052951590 /nfs/dbraw/zinc/95/15/90/1052951590.db2.gz XGFRAQLVWMTEMH-BZSNNMDCSA-N 1 0 308.510 4.211 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000920957250 1052956514 /nfs/dbraw/zinc/95/65/14/1052956514.db2.gz TYTXAWFECXMXJF-LJQANCHMSA-N 1 0 321.468 4.320 20 30 DIEDRO C[C@@H]([C@H](Oc1c(F)cccc1C#N)c1ccccc1)[NH+]1CCCC1 ZINC001227290303 1052979680 /nfs/dbraw/zinc/97/96/80/1052979680.db2.gz WFTHZUMZZKMPAQ-KXBFYZLASA-N 1 0 324.399 4.302 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2ccccc2)CC1 ZINC000609544814 1052982667 /nfs/dbraw/zinc/98/26/67/1052982667.db2.gz CKFXLIZOWYRQLV-UHFFFAOYSA-N 1 0 306.409 4.038 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(Cl)cc(Cl)cc1Cl ZINC001227454630 1052993021 /nfs/dbraw/zinc/99/30/21/1052993021.db2.gz XLIMBUPICRDSDK-SNVBAGLBSA-N 1 0 322.643 4.014 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1OCCCC#N ZINC000064613279 1052996844 /nfs/dbraw/zinc/99/68/44/1052996844.db2.gz HJMUCISXBSTMLS-WBVHZDCISA-N 1 0 316.445 4.046 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000609916464 1052999248 /nfs/dbraw/zinc/99/92/48/1052999248.db2.gz QAKPIMICWRKIKG-QAPCUYQASA-N 1 0 308.400 4.323 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000237593271 1053013853 /nfs/dbraw/zinc/01/38/53/1053013853.db2.gz WGNHNTZPWGJDMZ-ZDUSSCGKSA-N 1 0 314.816 4.256 20 30 DIEDRO Cc1cc(C#N)cc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001227838410 1053020531 /nfs/dbraw/zinc/02/05/31/1053020531.db2.gz MPTFXWGWMZZFTI-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1cc(C)c(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 ZINC000237701036 1053021087 /nfs/dbraw/zinc/02/10/87/1053021087.db2.gz ZQGDDOUKWQIGDR-KRWDZBQOSA-N 1 0 308.425 4.193 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CCCCCCC2)cc1 ZINC000237694500 1053021805 /nfs/dbraw/zinc/02/18/05/1053021805.db2.gz KNRWQLKEFFTWIS-INIZCTEOSA-N 1 0 300.446 4.428 20 30 DIEDRO Cc1cc(C)c(CC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 ZINC000237698138 1053022143 /nfs/dbraw/zinc/02/21/43/1053022143.db2.gz VJJBXKABQRJABI-SFHVURJKSA-N 1 0 322.452 4.235 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCS2 ZINC000615649514 1053024963 /nfs/dbraw/zinc/02/49/63/1053024963.db2.gz SXOOMAJPOFBGLL-SCLBCKFNSA-N 1 0 324.449 4.455 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 ZINC001228084816 1053042261 /nfs/dbraw/zinc/04/22/61/1053042261.db2.gz RDUFCLXSVKIOQR-QGZVFWFLSA-N 1 0 314.816 4.283 20 30 DIEDRO C[C@H](CC[NH2+][C@H](C)c1cccc(C#N)c1)OCc1ccccc1 ZINC000616114095 1053046040 /nfs/dbraw/zinc/04/60/40/1053046040.db2.gz OZTLRPYCWLFENA-IAGOWNOFSA-N 1 0 308.425 4.204 20 30 DIEDRO CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180547526 1053070476 /nfs/dbraw/zinc/07/04/76/1053070476.db2.gz RMJRQLMLCRYMLU-LJQANCHMSA-N 1 0 308.425 4.090 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cnc2ccsc2c1 ZINC000180551694 1053070689 /nfs/dbraw/zinc/07/06/89/1053070689.db2.gz NWWBTKYMIRCGNU-ZDUSSCGKSA-N 1 0 323.421 4.049 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180905923 1053103697 /nfs/dbraw/zinc/10/36/97/1053103697.db2.gz FWMXNFPOZQDMQD-FHERZECASA-N 1 0 310.482 4.157 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCCOC(F)(F)F)c1ccc(F)c(F)c1 ZINC001559767045 1053139531 /nfs/dbraw/zinc/13/95/31/1053139531.db2.gz SEYZLFVMQPYIHS-ZDUSSCGKSA-N 1 0 309.278 4.098 20 30 DIEDRO C[C@@H](Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1)[C@H](C)S ZINC001228828061 1053187427 /nfs/dbraw/zinc/18/74/27/1053187427.db2.gz AIMQYEVMSNIXHH-OLZOCXBDSA-N 1 0 318.486 4.063 20 30 DIEDRO CCC#C[C@H](C)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228824007 1053188185 /nfs/dbraw/zinc/18/81/85/1053188185.db2.gz WHVPTDQCROHJMC-HNNXBMFYSA-N 1 0 310.441 4.158 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728309 1053212898 /nfs/dbraw/zinc/21/28/98/1053212898.db2.gz YXYWGXKRMPDQLX-HNNXBMFYSA-N 1 0 319.836 4.267 20 30 DIEDRO CC(=O)c1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001351712068 1053213623 /nfs/dbraw/zinc/21/36/23/1053213623.db2.gz STQDLGDIAKOVGM-UHFFFAOYSA-N 1 0 318.420 4.140 20 30 DIEDRO Cc1cccc(-c2ccccc2)c1O[C@H](CC#N)C[N+](C)(C)C ZINC001229031672 1053228607 /nfs/dbraw/zinc/22/86/07/1053228607.db2.gz HEMCZKVMMILUPM-GOSISDBHSA-N 1 0 309.433 4.029 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)C1CC1 ZINC000090657159 1053238491 /nfs/dbraw/zinc/23/84/91/1053238491.db2.gz XVKBXMNWAODFAH-OALUTQOASA-N 1 0 301.474 4.123 20 30 DIEDRO Clc1ccc(C#CC[NH+]2CCC(Nc3ccccc3)CC2)cc1 ZINC001319387160 1053240074 /nfs/dbraw/zinc/24/00/74/1053240074.db2.gz RGPXIPGOKQJDJL-UHFFFAOYSA-N 1 0 324.855 4.268 20 30 DIEDRO C=C(C)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001229079181 1053241450 /nfs/dbraw/zinc/24/14/50/1053241450.db2.gz QIBOPQYODKRXSI-NRFANRHFSA-N 1 0 318.420 4.245 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+]Cc2cc(C#N)cs2)cc1 ZINC001319399161 1053241580 /nfs/dbraw/zinc/24/15/80/1053241580.db2.gz IRVNZGMNZBZKAZ-UHFFFAOYSA-N 1 0 314.454 4.129 20 30 DIEDRO C=C(C)c1ccc(OC2CCN(c3cc(C)ccn3)CC2)cc1 ZINC001229079059 1053241672 /nfs/dbraw/zinc/24/16/72/1053241672.db2.gz OVZMAZUFKRPENG-UHFFFAOYSA-N 1 0 308.425 4.471 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC001319401925 1053241948 /nfs/dbraw/zinc/24/19/48/1053241948.db2.gz ZXHBBTKIRJCRIC-CYBMUJFWSA-N 1 0 317.791 4.342 20 30 DIEDRO C[C@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000181553301 1053242329 /nfs/dbraw/zinc/24/23/29/1053242329.db2.gz WSUIXFZWHLBRHC-KRWDZBQOSA-N 1 0 307.441 4.125 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(C#N)cc1 ZINC000181594405 1053254451 /nfs/dbraw/zinc/25/44/51/1053254451.db2.gz RQVRMIGZOFRBSC-OAHLLOKOSA-N 1 0 321.449 4.014 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001360675122 1053259681 /nfs/dbraw/zinc/25/96/81/1053259681.db2.gz WFHDTWJPMOUUJA-BZSNNMDCSA-N 1 0 310.526 4.314 20 30 DIEDRO C#CCCOc1ccc(C[N@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001319715455 1053266718 /nfs/dbraw/zinc/26/67/18/1053266718.db2.gz AVXQBLQJQKYROV-UHFFFAOYSA-N 1 0 318.420 4.202 20 30 DIEDRO Cc1cccc(C#N)c1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229180660 1053269266 /nfs/dbraw/zinc/26/92/66/1053269266.db2.gz AJVLMOWGNHLVKF-PXNSSMCTSA-N 1 0 320.436 4.156 20 30 DIEDRO Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3cccc(C#N)c3)c21 ZINC000181681692 1053273416 /nfs/dbraw/zinc/27/34/16/1053273416.db2.gz YHSRCFGYMMCMRA-OAHLLOKOSA-N 1 0 303.409 4.241 20 30 DIEDRO C[C@@H](N[NH+]=Cc1c(Cl)cccc1N(C)C)c1ccccc1 ZINC001319824263 1053278132 /nfs/dbraw/zinc/27/81/32/1053278132.db2.gz NWMJHAOICIHMNH-CYBMUJFWSA-N 1 0 301.821 4.091 20 30 DIEDRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000181749135 1053286647 /nfs/dbraw/zinc/28/66/47/1053286647.db2.gz VUOHOSFKCXPRGI-DLBZAZTESA-N 1 0 321.468 4.338 20 30 DIEDRO COc1ccccc1C1(N[C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC001319963230 1053288826 /nfs/dbraw/zinc/28/88/26/1053288826.db2.gz XJNYZHCCQCAFSX-AWEZNQCLSA-N 1 0 324.399 4.436 20 30 DIEDRO COc1cccc2cc(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)oc21 ZINC001319971120 1053290216 /nfs/dbraw/zinc/29/02/16/1053290216.db2.gz QNDPDDCCCPEHMT-LBPRGKRZSA-N 1 0 324.355 4.303 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000618280087 1053293263 /nfs/dbraw/zinc/29/32/63/1053293263.db2.gz UGNHSURUDFBDCM-SFHVURJKSA-N 1 0 300.446 4.170 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC001320027284 1053295919 /nfs/dbraw/zinc/29/59/19/1053295919.db2.gz KRTNSTQVORIDQH-UHFFFAOYSA-N 1 0 308.425 4.068 20 30 DIEDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181828336 1053296543 /nfs/dbraw/zinc/29/65/43/1053296543.db2.gz BUJZILQWXJKFOA-DLBZAZTESA-N 1 0 324.424 4.016 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1cccc(C#N)c1 ZINC000181837851 1053298715 /nfs/dbraw/zinc/29/87/15/1053298715.db2.gz WDVYKIMKZBNUHN-HOTGVXAUSA-N 1 0 316.408 4.156 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC001320087276 1053302692 /nfs/dbraw/zinc/30/26/92/1053302692.db2.gz XDKKRPIZAVHSFT-CYBMUJFWSA-N 1 0 317.376 4.075 20 30 DIEDRO C[NH+]1CCC(Oc2ccccc2C=Nc2ccc(F)cc2)CC1 ZINC001229375256 1053309995 /nfs/dbraw/zinc/30/99/95/1053309995.db2.gz ZUKWFYZLZSCOOG-UHFFFAOYSA-N 1 0 312.388 4.049 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C1 ZINC001229427921 1053317224 /nfs/dbraw/zinc/31/72/24/1053317224.db2.gz DZPAFIJHEXIBOA-PCLFDXGNSA-N 1 0 321.420 4.056 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C1 ZINC001229427920 1053318834 /nfs/dbraw/zinc/31/88/34/1053318834.db2.gz DZPAFIJHEXIBOA-KRBJHKROSA-N 1 0 321.420 4.056 20 30 DIEDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC001229435125 1053319761 /nfs/dbraw/zinc/31/97/61/1053319761.db2.gz ZGLLZDQWRTXIRM-IUYQLWOBSA-N 1 0 324.444 4.056 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC001320301604 1053322820 /nfs/dbraw/zinc/32/28/20/1053322820.db2.gz GBLNUHRXGHGKAX-WMZOPIPTSA-N 1 0 311.425 4.117 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC001320306061 1053323524 /nfs/dbraw/zinc/32/35/24/1053323524.db2.gz LRUJHOGOFCLBKG-SWLSCSKDSA-N 1 0 313.413 4.169 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)cs1 ZINC000618566829 1053324718 /nfs/dbraw/zinc/32/47/18/1053324718.db2.gz HCRYACWSRPNUFY-RDJZCZTQSA-N 1 0 311.454 4.291 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000618578592 1053325005 /nfs/dbraw/zinc/32/50/05/1053325005.db2.gz IINVKHKDVUJFBA-GDBMZVCRSA-N 1 0 318.411 4.449 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000618565213 1053326046 /nfs/dbraw/zinc/32/60/46/1053326046.db2.gz HCSZFSHCTPUVPD-QUCCMNQESA-N 1 0 320.436 4.438 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)cs1 ZINC000618566828 1053326116 /nfs/dbraw/zinc/32/61/16/1053326116.db2.gz HCRYACWSRPNUFY-NVXWUHKLSA-N 1 0 311.454 4.291 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(C#N)cc1 ZINC000618571981 1053327161 /nfs/dbraw/zinc/32/71/61/1053327161.db2.gz AGLPIBCRAYMONQ-IAGOWNOFSA-N 1 0 312.800 4.386 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000618575530 1053327864 /nfs/dbraw/zinc/32/78/64/1053327864.db2.gz OREHLOKXSIOCBX-LOUJCGABSA-N 1 0 306.837 4.088 20 30 DIEDRO Cc1cc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)ccc1C#N ZINC000618594401 1053329058 /nfs/dbraw/zinc/32/90/58/1053329058.db2.gz SILMPHFTQZLPOU-IBGZPJMESA-N 1 0 308.450 4.157 20 30 DIEDRO C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000182043556 1053334398 /nfs/dbraw/zinc/33/43/98/1053334398.db2.gz AEJPDRORDAHNOB-KRWDZBQOSA-N 1 0 320.436 4.262 20 30 DIEDRO CC[N@H+](CCC(=O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000182076513 1053340564 /nfs/dbraw/zinc/34/05/64/1053340564.db2.gz UCEWOHHGONOZBS-MRXNPFEDSA-N 1 0 306.409 4.214 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC#N)c1)CCC2 ZINC001320576173 1053345066 /nfs/dbraw/zinc/34/50/66/1053345066.db2.gz BCPSJCDVHODYRA-HXUWFJFHSA-N 1 0 306.409 4.065 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC001320617973 1053346959 /nfs/dbraw/zinc/34/69/59/1053346959.db2.gz LSFPADBGGNVYAO-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccc(C#N)c(F)c1 ZINC001320688409 1053356734 /nfs/dbraw/zinc/35/67/34/1053356734.db2.gz GHDNAVRWXHMGFV-NSHDSACASA-N 1 0 304.315 4.486 20 30 DIEDRO CCCOc1cccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741308 1053357054 /nfs/dbraw/zinc/35/70/54/1053357054.db2.gz DTQROMPPPRUXPI-FQEVSTJZSA-N 1 0 306.409 4.124 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742691 1053357677 /nfs/dbraw/zinc/35/76/77/1053357677.db2.gz PEIGPCLSPMBMHQ-HXUWFJFHSA-N 1 0 306.409 4.123 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741176 1053358457 /nfs/dbraw/zinc/35/84/57/1053358457.db2.gz CYMWKTLCQGRTSD-HXUWFJFHSA-N 1 0 306.409 4.123 20 30 DIEDRO Cc1nc2ccc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)cc2s1 ZINC000618741630 1053358817 /nfs/dbraw/zinc/35/88/17/1053358817.db2.gz HYAZIWSSWNMTBK-QGZVFWFLSA-N 1 0 319.433 4.254 20 30 DIEDRO Cc1ccc2cc([C@@H](C)[NH2+]Cc3cccc(OCC#N)c3)oc2c1 ZINC001320728339 1053358998 /nfs/dbraw/zinc/35/89/98/1053358998.db2.gz ARSVBMRMNKJFKL-OAHLLOKOSA-N 1 0 320.392 4.494 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc2cccnc12 ZINC000618743197 1053359754 /nfs/dbraw/zinc/35/97/54/1053359754.db2.gz ZVEYRCSLLQJENT-HXUWFJFHSA-N 1 0 313.404 4.192 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C/C=C\c1ccc(F)cc1F ZINC000618742166 1053360175 /nfs/dbraw/zinc/36/01/75/1053360175.db2.gz KKBKYUNIMWZQFM-COLJXDCZSA-N 1 0 310.347 4.127 20 30 DIEDRO CC(C)(C)c1ncc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618742146 1053360979 /nfs/dbraw/zinc/36/09/79/1053360979.db2.gz KBHOSBXJJAAJKI-MRXNPFEDSA-N 1 0 311.454 4.089 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000618802388 1053365853 /nfs/dbraw/zinc/36/58/53/1053365853.db2.gz JHQXHYFDDBOZDD-RTBURBONSA-N 1 0 308.812 4.476 20 30 DIEDRO C=CCOc1ccccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001229613337 1053365883 /nfs/dbraw/zinc/36/58/83/1053365883.db2.gz ABLPRBXBARLTBT-UHFFFAOYSA-N 1 0 323.436 4.295 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618801460 1053366287 /nfs/dbraw/zinc/36/62/87/1053366287.db2.gz AZQCBSPJWXUPMP-CVEARBPZSA-N 1 0 323.465 4.232 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCSc2ccccc21 ZINC000618801664 1053366605 /nfs/dbraw/zinc/36/66/05/1053366605.db2.gz BKFIXYHZGYPHQP-QZTJIDSGSA-N 1 0 306.434 4.372 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618801969 1053367641 /nfs/dbraw/zinc/36/76/41/1053367641.db2.gz CUGYSBODDZKURW-LEWJYISDSA-N 1 0 318.420 4.221 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618801971 1053368868 /nfs/dbraw/zinc/36/88/68/1053368868.db2.gz CUGYSBODDZKURW-NHCUHLMSSA-N 1 0 318.420 4.221 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805101 1053370900 /nfs/dbraw/zinc/37/09/00/1053370900.db2.gz CUOBQTPNYUCDKS-WIEQDCTASA-N 1 0 320.436 4.336 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805099 1053371279 /nfs/dbraw/zinc/37/12/79/1053371279.db2.gz CUOBQTPNYUCDKS-PZPWOCDFSA-N 1 0 320.436 4.336 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(OC)cc1 ZINC000618806620 1053371560 /nfs/dbraw/zinc/37/15/60/1053371560.db2.gz QOGCJURJLCSUBE-UXHICEINSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618806891 1053372338 /nfs/dbraw/zinc/37/23/38/1053372338.db2.gz SYGCXQQCVKLBNW-SFTDATJTSA-N 1 0 318.420 4.221 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2c1cccc2Cl ZINC000618807224 1053373526 /nfs/dbraw/zinc/37/35/26/1053373526.db2.gz WHAXZHIUVHSNIU-OALUTQOASA-N 1 0 308.812 4.476 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2c1cccc2Cl ZINC000618807223 1053373634 /nfs/dbraw/zinc/37/36/34/1053373634.db2.gz WHAXZHIUVHSNIU-MOPGFXCFSA-N 1 0 308.812 4.476 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618807760 1053373851 /nfs/dbraw/zinc/37/38/51/1053373851.db2.gz WLZDGNLBHCLALG-BTYIYWSLSA-N 1 0 320.436 4.165 20 30 DIEDRO CCC[C@H](C[NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000182200383 1053375145 /nfs/dbraw/zinc/37/51/45/1053375145.db2.gz SFGFVLMDISODIT-LJQANCHMSA-N 1 0 308.425 4.262 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000182241709 1053383929 /nfs/dbraw/zinc/38/39/29/1053383929.db2.gz YTYQNYXOJWQSTK-OAHLLOKOSA-N 1 0 309.384 4.178 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC001474753894 1053388561 /nfs/dbraw/zinc/38/85/61/1053388561.db2.gz HBMVORPJAGFYMK-HNNXBMFYSA-N 1 0 310.482 4.110 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001321295510 1053407108 /nfs/dbraw/zinc/40/71/08/1053407108.db2.gz ADFKWFKYUJUUDJ-LOWVWBTDSA-N 1 0 312.335 4.160 20 30 DIEDRO CC[C@@H](C#Cc1ccccc1)Oc1ccc(F)cc1C[NH+](C)C ZINC001229858797 1053419353 /nfs/dbraw/zinc/41/93/53/1053419353.db2.gz RQIZYLMVOLZTIO-IBGZPJMESA-N 1 0 311.400 4.096 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](Oc2ccc(F)cc2C[NH+](C)C)C(C)(C)O1 ZINC001229859063 1053420366 /nfs/dbraw/zinc/42/03/66/1053420366.db2.gz WOTLUWJCSVWLMJ-HKUYNNGSSA-N 1 0 321.436 4.168 20 30 DIEDRO CC[N@@H+]1CCC[C@H](Oc2ccccc2/C=N/c2ccccc2O)C1 ZINC001229938370 1053434120 /nfs/dbraw/zinc/43/41/20/1053434120.db2.gz VHXVVJZFLCDXAF-JPOGYNCRSA-N 1 0 324.424 4.006 20 30 DIEDRO COc1ccc(C[C@H](C)C[N@H+](C)CC(C)(C)CCC#N)cc1 ZINC000093772207 1053449822 /nfs/dbraw/zinc/44/98/22/1053449822.db2.gz BTHSJCAZEOJWQZ-INIZCTEOSA-N 1 0 302.462 4.136 20 30 DIEDRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508472 1053497326 /nfs/dbraw/zinc/49/73/26/1053497326.db2.gz YXYICQNRVLQGKJ-YWZLYKJASA-N 1 0 305.425 4.380 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 ZINC000619508426 1053497565 /nfs/dbraw/zinc/49/75/65/1053497565.db2.gz SXIDZQLBAAQMTA-MGPUTAFESA-N 1 0 305.425 4.114 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000619554194 1053506982 /nfs/dbraw/zinc/50/69/82/1053506982.db2.gz RJHUPICECMRUKG-ZJOUEHCJSA-N 1 0 302.421 4.471 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2C)cc(OC)c1OC ZINC001200269648 1053514078 /nfs/dbraw/zinc/51/40/78/1053514078.db2.gz ZIQAEUAEGRLOIS-QAPCUYQASA-N 1 0 317.473 4.348 20 30 DIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1F ZINC000619620318 1053520478 /nfs/dbraw/zinc/52/04/78/1053520478.db2.gz SGXLZQKWNFVFRF-UHFFFAOYSA-N 1 0 318.436 4.138 20 30 DIEDRO CC(C)C1CCC(C[NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC001200293941 1053532645 /nfs/dbraw/zinc/53/26/45/1053532645.db2.gz ULSOHVFSMLCGPH-UHFFFAOYSA-N 1 0 300.446 4.141 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(OC)c1 ZINC000619754660 1053546367 /nfs/dbraw/zinc/54/63/67/1053546367.db2.gz GXFRFFCBOPAJGL-GOSISDBHSA-N 1 0 314.816 4.461 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1Cl ZINC000619755538 1053547594 /nfs/dbraw/zinc/54/75/94/1053547594.db2.gz KOGHPSLVUXTQBG-MRXNPFEDSA-N 1 0 317.219 4.122 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000619754509 1053547428 /nfs/dbraw/zinc/54/74/28/1053547428.db2.gz BSGIQMXOWSTSSV-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000619754941 1053548064 /nfs/dbraw/zinc/54/80/64/1053548064.db2.gz OYSCOMUXNMGIDN-SOVGHPHASA-N 1 0 310.828 4.493 20 30 DIEDRO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619755109 1053548207 /nfs/dbraw/zinc/54/82/07/1053548207.db2.gz TXFKBILVJYUQCR-VIFPVBQESA-N 1 0 305.834 4.136 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754786 1053548822 /nfs/dbraw/zinc/54/88/22/1053548822.db2.gz KPQKJABZRBJHNW-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2nccc3ccccc32)cc1Cl ZINC000619748533 1053553910 /nfs/dbraw/zinc/55/39/10/1053553910.db2.gz HLWSPXZQFJVWIT-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc2cccnc12 ZINC000619748559 1053554915 /nfs/dbraw/zinc/55/49/15/1053554915.db2.gz IOJBHJQLAPYGCI-UHFFFAOYSA-N 1 0 321.811 4.358 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000619784518 1053559129 /nfs/dbraw/zinc/55/91/29/1053559129.db2.gz OGYHRFYZCXEIIB-MRXNPFEDSA-N 1 0 322.374 4.421 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccccc2SCC)CC1 ZINC000152980385 1053563279 /nfs/dbraw/zinc/56/32/79/1053563279.db2.gz PBCMARGOTQMSOC-INIZCTEOSA-N 1 0 318.530 4.490 20 30 DIEDRO CCc1nc2cc(C[NH2+][C@H]3CCC[C@H](C#N)C3)ccc2n1C1CC1 ZINC000619823076 1053565324 /nfs/dbraw/zinc/56/53/24/1053565324.db2.gz ICYQWEIKIFVYKQ-HOCLYGCPSA-N 1 0 322.456 4.106 20 30 DIEDRO C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000619823104 1053566316 /nfs/dbraw/zinc/56/63/16/1053566316.db2.gz ROHCQPAIXKLQCP-QOIOWGMHSA-N 1 0 312.457 4.119 20 30 DIEDRO Cc1cc(OCCC[C@@H](C)[NH2+]CC(C)(C)C#N)ccc1Cl ZINC000619845277 1053566330 /nfs/dbraw/zinc/56/63/30/1053566330.db2.gz KMSDWSGRTGULMQ-CQSZACIVSA-N 1 0 308.853 4.335 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000619823099 1053566865 /nfs/dbraw/zinc/56/68/65/1053566865.db2.gz QSJFKOZUHPQHCI-KKXDTOCCSA-N 1 0 310.828 4.493 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001323320671 1053575264 /nfs/dbraw/zinc/57/52/64/1053575264.db2.gz CWUJLGTXGJTCKZ-HNNXBMFYSA-N 1 0 319.408 4.091 20 30 DIEDRO C[C@H](COc1ccccc1F)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC001323427597 1053580999 /nfs/dbraw/zinc/58/09/99/1053580999.db2.gz KVIDDFTVGVUYRG-AUUYWEPGSA-N 1 0 324.399 4.132 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001324301000 1053642216 /nfs/dbraw/zinc/64/22/16/1053642216.db2.gz DARFTHOMTIBKHX-UHFFFAOYSA-N 1 0 322.493 4.066 20 30 DIEDRO CCCCCCCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC001353712564 1053650836 /nfs/dbraw/zinc/65/08/36/1053650836.db2.gz KRBKOVNNNZPCRC-GOSISDBHSA-N 1 0 316.489 4.080 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000183543287 1053672732 /nfs/dbraw/zinc/67/27/32/1053672732.db2.gz WMOUYYGUZNVEAY-UHFFFAOYSA-N 1 0 306.409 4.126 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC001324841541 1053682956 /nfs/dbraw/zinc/68/29/56/1053682956.db2.gz MPVSQDDBPUMGSX-VQTJNVASSA-N 1 0 306.409 4.015 20 30 DIEDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001324924046 1053689399 /nfs/dbraw/zinc/68/93/99/1053689399.db2.gz JPSXTXFVCOAITE-QGZVFWFLSA-N 1 0 322.452 4.435 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1sc(N2CCCCC2)nc1C ZINC001324941969 1053689566 /nfs/dbraw/zinc/68/95/66/1053689566.db2.gz YJAIFXIJNMYMDA-UHFFFAOYSA-N 1 0 307.507 4.134 20 30 DIEDRO N#CCC[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1 ZINC001325202782 1053706606 /nfs/dbraw/zinc/70/66/06/1053706606.db2.gz IYEUXIYZPJYSHR-SFHVURJKSA-N 1 0 300.352 4.142 20 30 DIEDRO C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)c1cccc(F)c1 ZINC001326056050 1053749524 /nfs/dbraw/zinc/74/95/24/1053749524.db2.gz LAYLKBIRMGUNHN-APMMTJHUSA-N 1 0 308.400 4.143 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccsc1 ZINC001326117597 1053756000 /nfs/dbraw/zinc/75/60/00/1053756000.db2.gz REEPHYIVAMUBSM-QGZVFWFLSA-N 1 0 300.427 4.281 20 30 DIEDRO O=C1C=C2C[N@@H+](Cc3cccc(-c4ccccc4)c3)CC[C@@H]2S1 ZINC001231507618 1053774131 /nfs/dbraw/zinc/77/41/31/1053774131.db2.gz CADIJECTUAASMK-IBGZPJMESA-N 1 0 321.445 4.128 20 30 DIEDRO Cn1c2ccccc2c(C[N@@H+]2CC[C@@H](C#N)C2)c1-c1ccccc1 ZINC001231574766 1053785913 /nfs/dbraw/zinc/78/59/13/1053785913.db2.gz ZZAWVVYZXIFCPD-INIZCTEOSA-N 1 0 315.420 4.191 20 30 DIEDRO C=CCC[N@@H+](Cc1cc(Br)c[nH]1)Cc1ccccc1 ZINC001231576874 1053786106 /nfs/dbraw/zinc/78/61/06/1053786106.db2.gz OUMHXDUTVBKUTA-UHFFFAOYSA-N 1 0 319.246 4.356 20 30 DIEDRO COc1cc(F)ccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001231602585 1053798859 /nfs/dbraw/zinc/79/88/59/1053798859.db2.gz CEUCNGDISSJJQK-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1OC ZINC001231620938 1053804120 /nfs/dbraw/zinc/80/41/20/1053804120.db2.gz PMXFVGNNLUZGLH-IBGZPJMESA-N 1 0 306.409 4.076 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001231619619 1053804504 /nfs/dbraw/zinc/80/45/04/1053804504.db2.gz FMJDZFPTZONKAL-LJQANCHMSA-N 1 0 320.436 4.337 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001231623674 1053806468 /nfs/dbraw/zinc/80/64/68/1053806468.db2.gz POCMDYIORBDONL-OAQYLSRUSA-N 1 0 323.436 4.043 20 30 DIEDRO CC(C)=CCC[C@H](C)CC[NH2+]Cc1cccc(OCC#N)c1 ZINC001326895849 1053807843 /nfs/dbraw/zinc/80/78/43/1053807843.db2.gz RUBAKLCKNVCQGG-KRWDZBQOSA-N 1 0 300.446 4.451 20 30 DIEDRO CC(C)=CCC[C@@H](C)CC[NH2+]Cc1cccc(OCC#N)c1 ZINC001326895850 1053808003 /nfs/dbraw/zinc/80/80/03/1053808003.db2.gz RUBAKLCKNVCQGG-QGZVFWFLSA-N 1 0 300.446 4.451 20 30 DIEDRO Cc1cccc2cc(C[NH+]3CCC(S)CC3)c(Cl)nc12 ZINC001231653062 1053820509 /nfs/dbraw/zinc/82/05/09/1053820509.db2.gz WKKUMGHPSALZER-UHFFFAOYSA-N 1 0 306.862 4.091 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC001231656783 1053823339 /nfs/dbraw/zinc/82/33/39/1053823339.db2.gz RGNNWWPFYFDDHV-UHFFFAOYSA-N 1 0 316.404 4.189 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1ccc(OC)c(OC(C)=O)c1 ZINC001231707386 1053838140 /nfs/dbraw/zinc/83/81/40/1053838140.db2.gz CYOYQDQIIQJGPO-UHFFFAOYSA-N 1 0 321.461 4.413 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCCCOc3ccccc3)cc2)CC1 ZINC001327564409 1053863736 /nfs/dbraw/zinc/86/37/36/1053863736.db2.gz ILGWTILSMULWCT-UHFFFAOYSA-N 1 0 320.436 4.191 20 30 DIEDRO Clc1cccc(C#CC[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000157965156 1053876633 /nfs/dbraw/zinc/87/66/33/1053876633.db2.gz HUMKDFYBZNVMHS-HNNXBMFYSA-N 1 0 316.857 4.028 20 30 DIEDRO N#CC1(CSCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001328749225 1053954340 /nfs/dbraw/zinc/95/43/40/1053954340.db2.gz LYYUKAXOUXAHSN-UHFFFAOYSA-N 1 0 300.471 4.209 20 30 DIEDRO C[N@H+](CCc1cccc(F)c1)Cc1ccc(C#N)c(Cl)c1 ZINC001232119437 1053968003 /nfs/dbraw/zinc/96/80/03/1053968003.db2.gz YSLUSTURKBDUOK-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1 ZINC001237745681 1053970466 /nfs/dbraw/zinc/97/04/66/1053970466.db2.gz HTCWRPAUDZWYRN-UHFFFAOYSA-N 1 0 310.775 4.223 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OCc2ccccc2)nc1)C(C)(C)C ZINC001232359390 1054030009 /nfs/dbraw/zinc/03/00/09/1054030009.db2.gz GNOLOEBRMYMTQR-UHFFFAOYSA-N 1 0 310.441 4.447 20 30 DIEDRO Cc1ccc(OCc2ccccc2)c(C[NH+]2CCC(C#N)CC2)c1 ZINC001232377478 1054034958 /nfs/dbraw/zinc/03/49/58/1054034958.db2.gz TWXPRYZFHXTHBU-UHFFFAOYSA-N 1 0 320.436 4.310 20 30 DIEDRO CC(C)c1cc([C@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)[nH]n1 ZINC001331173896 1054063290 /nfs/dbraw/zinc/06/32/90/1054063290.db2.gz UFTDUQPGHLDIPU-HNNXBMFYSA-N 1 0 302.466 4.042 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cncc2cnccc21 ZINC001232651878 1054091820 /nfs/dbraw/zinc/09/18/20/1054091820.db2.gz XQWZYOZXTLCDAB-UHFFFAOYSA-N 1 0 303.409 4.208 20 30 DIEDRO CC[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1cccc(C#N)c1 ZINC001331983520 1054103747 /nfs/dbraw/zinc/10/37/47/1054103747.db2.gz HZZPALOXLDJXPO-IBGZPJMESA-N 1 0 312.457 4.338 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1O ZINC001232839626 1054128417 /nfs/dbraw/zinc/12/84/17/1054128417.db2.gz ROJVNSRFGAXXBJ-UHFFFAOYSA-N 1 0 310.441 4.037 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(Sc3ccccc3)CC2)s1 ZINC001232846206 1054129637 /nfs/dbraw/zinc/12/96/37/1054129637.db2.gz BWDJCJJIPNMIFK-UHFFFAOYSA-N 1 0 314.479 4.376 20 30 DIEDRO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001232844100 1054129853 /nfs/dbraw/zinc/12/98/53/1054129853.db2.gz PBNPLOIKADZIIZ-GOSISDBHSA-N 1 0 312.438 4.356 20 30 DIEDRO COc1cccc([C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001232844823 1054130944 /nfs/dbraw/zinc/13/09/44/1054130944.db2.gz FJCPBQBVHACSCC-HNNXBMFYSA-N 1 0 312.438 4.008 20 30 DIEDRO C=C[C@@](C)(CC)c1nnc(-c2ccc(C[NH+](CC)CC)o2)o1 ZINC001333110494 1054143112 /nfs/dbraw/zinc/14/31/12/1054143112.db2.gz IAHILIVZKQWXLX-KRWDZBQOSA-N 1 0 303.406 4.025 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)ccc1Br ZINC001232899723 1054143758 /nfs/dbraw/zinc/14/37/58/1054143758.db2.gz UOAKZWGJBMHJQB-CZUORRHYSA-N 1 0 319.246 4.085 20 30 DIEDRO CCC[N@@H+](Cc1ccc(Br)c(C#N)c1)CC(C)C ZINC001232898533 1054145040 /nfs/dbraw/zinc/14/50/40/1054145040.db2.gz XHLNYLKIMBWBEN-UHFFFAOYSA-N 1 0 309.251 4.189 20 30 DIEDRO CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001232926560 1054148642 /nfs/dbraw/zinc/14/86/42/1054148642.db2.gz TVXYBDDJJUEBMJ-QGZVFWFLSA-N 1 0 309.438 4.012 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000848560347 1054149052 /nfs/dbraw/zinc/14/90/52/1054149052.db2.gz LRIHLJKIYXDXPW-JTQLQIEISA-N 1 0 303.269 4.303 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cc1 ZINC000848557693 1054149499 /nfs/dbraw/zinc/14/94/99/1054149499.db2.gz LESODXPQFVMZTL-DLBZAZTESA-N 1 0 308.828 4.282 20 30 DIEDRO N#Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)n1 ZINC001232924582 1054150360 /nfs/dbraw/zinc/15/03/60/1054150360.db2.gz LWQJVXGADKZUAQ-UHFFFAOYSA-N 1 0 313.404 4.156 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccccc1O ZINC000848567235 1054152576 /nfs/dbraw/zinc/15/25/76/1054152576.db2.gz RMDIYPBBXVPCQD-GOSISDBHSA-N 1 0 306.409 4.384 20 30 DIEDRO CCCN(CCC#N)Cc1cccc(SC(F)(F)F)c1 ZINC001232948544 1054155351 /nfs/dbraw/zinc/15/53/51/1054155351.db2.gz YGEKKKRMAVLGRJ-UHFFFAOYSA-N 1 0 302.365 4.424 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)c(C#N)c1 ZINC001232968394 1054161940 /nfs/dbraw/zinc/16/19/40/1054161940.db2.gz IFQOGVNAMCKUEH-UHFFFAOYSA-N 1 0 314.432 4.130 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001233083054 1054183435 /nfs/dbraw/zinc/18/34/35/1054183435.db2.gz SESALXRNRAWDNQ-IBGZPJMESA-N 1 0 323.465 4.018 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001233082775 1054183565 /nfs/dbraw/zinc/18/35/65/1054183565.db2.gz ZGPNPPGJYHEHIU-NRFANRHFSA-N 1 0 320.436 4.048 20 30 DIEDRO COC1(c2ccccc2)CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233082173 1054183915 /nfs/dbraw/zinc/18/39/15/1054183915.db2.gz BWAGPCLVVVEAKK-UHFFFAOYSA-N 1 0 320.436 4.004 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CCCCC1 ZINC001233290772 1054226688 /nfs/dbraw/zinc/22/66/88/1054226688.db2.gz VKNXOZULUMVUCV-UHFFFAOYSA-N 1 0 309.837 4.375 20 30 DIEDRO N#CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C1CCCC1 ZINC001233454264 1054278226 /nfs/dbraw/zinc/27/82/26/1054278226.db2.gz NWEHHMHQGXKOTK-UHFFFAOYSA-N 1 0 312.335 4.069 20 30 DIEDRO CCc1cccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1O ZINC000848914014 1054296523 /nfs/dbraw/zinc/29/65/23/1054296523.db2.gz GPUKNBVZUKIMGI-LJQANCHMSA-N 1 0 308.425 4.479 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC001338111816 1054297107 /nfs/dbraw/zinc/29/71/07/1054297107.db2.gz GUSAYGWOVYZRDU-QAPCUYQASA-N 1 0 311.425 4.214 20 30 DIEDRO CCCCCCCCC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001439850410 1054306312 /nfs/dbraw/zinc/30/63/12/1054306312.db2.gz CLYCKLZWTCQLQC-UHFFFAOYSA-N 1 0 308.510 4.260 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000849025415 1054344507 /nfs/dbraw/zinc/34/45/07/1054344507.db2.gz AENIVPQYZUTESO-LESCRADOSA-N 1 0 315.461 4.118 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCC(C)(C)CCC#N)cc1 ZINC000849029011 1054346042 /nfs/dbraw/zinc/34/60/42/1054346042.db2.gz VFSODWSKULTOHJ-AWEZNQCLSA-N 1 0 300.450 4.466 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001339892441 1054349470 /nfs/dbraw/zinc/34/94/70/1054349470.db2.gz GXDGNFDJSZHWOV-FVQBIDKESA-N 1 0 313.363 4.132 20 30 DIEDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001340779503 1054367266 /nfs/dbraw/zinc/36/72/66/1054367266.db2.gz SGUPSOSJMYLCIQ-YOEHRIQHSA-N 1 0 318.420 4.400 20 30 DIEDRO CCCC[NH+]=C(NCc1ccsc1)NCc1ccc(C)cc1 ZINC000849058830 1054367823 /nfs/dbraw/zinc/36/78/23/1054367823.db2.gz PNYXWTLNBOCMAT-UHFFFAOYSA-N 1 0 315.486 4.092 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001340779501 1054367804 /nfs/dbraw/zinc/36/78/04/1054367804.db2.gz SGUPSOSJMYLCIQ-RHSMWYFYSA-N 1 0 318.420 4.400 20 30 DIEDRO N#Cc1cccc(-c2ccc(OC3CC[NH+](C4CC4)CC3)cc2)c1 ZINC001233861573 1054376110 /nfs/dbraw/zinc/37/61/10/1054376110.db2.gz UMOFRKACPMGIEP-UHFFFAOYSA-N 1 0 318.420 4.231 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-c3cccc(C#N)c3)cc1)C2 ZINC001233867463 1054376480 /nfs/dbraw/zinc/37/64/80/1054376480.db2.gz UOYGVVUUFGITRY-KXTWHKPSSA-N 1 0 318.420 4.229 20 30 DIEDRO C=CCC1(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCCCC1 ZINC001441000077 1054376762 /nfs/dbraw/zinc/37/67/62/1054376762.db2.gz IYZTYWCPRYQVFY-GOSISDBHSA-N 1 0 320.521 4.140 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C/C=C/c2ccccc2)c1 ZINC000171841537 1054391382 /nfs/dbraw/zinc/39/13/82/1054391382.db2.gz PZLLJEHAENTGJT-YRNVUSSQSA-N 1 0 306.409 4.172 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2c(C)noc2C)c(O)c1 ZINC000072613687 1054434970 /nfs/dbraw/zinc/43/49/70/1054434970.db2.gz JTGWKEJYLYOKBD-ZGXHQARYSA-N 1 0 315.417 4.023 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC001343260350 1054438844 /nfs/dbraw/zinc/43/88/44/1054438844.db2.gz QKUBJYBEZIHQKV-MOPGFXCFSA-N 1 0 306.409 4.015 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001443126634 1054441567 /nfs/dbraw/zinc/44/15/67/1054441567.db2.gz WCJUUISRAVOUND-YFPIXMDGSA-N 1 0 320.521 4.380 20 30 DIEDRO C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccc(F)cc1 ZINC001343273359 1054441782 /nfs/dbraw/zinc/44/17/82/1054441782.db2.gz PLOCMCOTBBIZQO-APMMTJHUSA-N 1 0 308.400 4.143 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001443333929 1054447695 /nfs/dbraw/zinc/44/76/95/1054447695.db2.gz IFOPTRSISCVQJD-PKOBYXMFSA-N 1 0 322.537 4.316 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001343643346 1054450413 /nfs/dbraw/zinc/45/04/13/1054450413.db2.gz LYUXMSRPVZXXHE-IUDNXUCKSA-N 1 0 310.363 4.321 20 30 DIEDRO C=C(C)C[C@H](Oc1c(F)cc(C[NH+](C)C)cc1OC)C(=C)C ZINC001234242055 1054470168 /nfs/dbraw/zinc/47/01/68/1054470168.db2.gz XTCWYPMCWNVWHG-INIZCTEOSA-N 1 0 307.409 4.186 20 30 DIEDRO Cc1cc(NC2CC(C#N)(c3ccccc3)C2)ccc1C[NH+](C)C ZINC001344570725 1054474208 /nfs/dbraw/zinc/47/42/08/1054474208.db2.gz YPAVUGOILVHTCZ-UHFFFAOYSA-N 1 0 319.452 4.093 20 30 DIEDRO CN(c1ccc(F)cc1)c1ccc(CN2CCC[C@H](C#N)C2)cc1 ZINC001234298883 1054489432 /nfs/dbraw/zinc/48/94/32/1054489432.db2.gz HGEQCSOAHXQIKV-QGZVFWFLSA-N 1 0 323.415 4.329 20 30 DIEDRO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC001473291406 1054503114 /nfs/dbraw/zinc/50/31/14/1054503114.db2.gz LAMVDMGGOQBXER-LJQANCHMSA-N 1 0 319.452 4.188 20 30 DIEDRO N#Cc1cnccc1C[N@@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC001473291401 1054503346 /nfs/dbraw/zinc/50/33/46/1054503346.db2.gz LAMVDMGGOQBXER-IBGZPJMESA-N 1 0 319.452 4.188 20 30 DIEDRO CC(C)[N@@H+]1CCC[C@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234427917 1054521754 /nfs/dbraw/zinc/52/17/54/1054521754.db2.gz KLAZPGAGKNYIJG-LBPRGKRZSA-N 1 0 313.228 4.117 20 30 DIEDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001346504736 1054538572 /nfs/dbraw/zinc/53/85/72/1054538572.db2.gz YLAYSMRQTJTVQJ-IRXDYDNUSA-N 1 0 302.487 4.204 20 30 DIEDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001346504720 1054539856 /nfs/dbraw/zinc/53/98/56/1054539856.db2.gz YLAYSMRQTJTVQJ-DLBZAZTESA-N 1 0 302.487 4.204 20 30 DIEDRO C=CCN(CCc1ccccc1)Cc1ccn(-c2ccccc2)n1 ZINC000623435266 1054595444 /nfs/dbraw/zinc/59/54/44/1054595444.db2.gz AMEVGSMTBNWLCZ-UHFFFAOYSA-N 1 0 317.436 4.103 20 30 DIEDRO CCOc1ccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)cc1 ZINC000073012000 1054612430 /nfs/dbraw/zinc/61/24/30/1054612430.db2.gz BISXEJJHYXUKBG-SFHVURJKSA-N 1 0 324.424 4.056 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C)s2)c1 ZINC000073012426 1054615470 /nfs/dbraw/zinc/61/54/70/1054615470.db2.gz SDXVEKBBMBYISA-HNNXBMFYSA-N 1 0 300.427 4.027 20 30 DIEDRO CCc1ccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)cc1 ZINC000073012415 1054615484 /nfs/dbraw/zinc/61/54/84/1054615484.db2.gz CGSWOQFVBFGKNB-IBGZPJMESA-N 1 0 308.425 4.220 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001450355732 1054646514 /nfs/dbraw/zinc/64/65/14/1054646514.db2.gz VMSYIWPFICDNRT-DUQGCJEPSA-N 1 0 320.521 4.238 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(-c2nnc(C)o2)cc1 ZINC001235062686 1054649477 /nfs/dbraw/zinc/64/94/77/1054649477.db2.gz VGFYPZMBBYIXBW-UHFFFAOYSA-N 1 0 319.408 4.233 20 30 DIEDRO N#CCC[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000178756001 1054657140 /nfs/dbraw/zinc/65/71/40/1054657140.db2.gz BLTSRMXUEHGFOJ-LJQANCHMSA-N 1 0 316.408 4.211 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1Cl)CC1(c2ccccc2)CC1 ZINC001307684030 1054708030 /nfs/dbraw/zinc/70/80/30/1054708030.db2.gz HWIJYARXQAAUCL-UHFFFAOYSA-N 1 0 310.828 4.375 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@H](O)[C@@H](C)c2ccccc2)CCCC1(C)C ZINC001473432619 1054719433 /nfs/dbraw/zinc/71/94/33/1054719433.db2.gz NVWXIPSPPQZKRH-WDSOQIARSA-N 1 0 301.474 4.218 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(Br)c(OCC)c1 ZINC001235447736 1054725509 /nfs/dbraw/zinc/72/55/09/1054725509.db2.gz DVHFORJIHMYMSS-UHFFFAOYSA-N 1 0 310.235 4.022 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001235524904 1054736898 /nfs/dbraw/zinc/73/68/98/1054736898.db2.gz CDNYEROVIHYQPX-GOSISDBHSA-N 1 0 310.828 4.396 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001235523766 1054736984 /nfs/dbraw/zinc/73/69/84/1054736984.db2.gz ULYFGUJWAVJDMD-UHFFFAOYSA-N 1 0 315.420 4.004 20 30 DIEDRO COc1ccc(C2=CC[N@H+](Cc3ccccc3CC#N)CC2)cc1 ZINC001235528999 1054737844 /nfs/dbraw/zinc/73/78/44/1054737844.db2.gz VOPFNSGOXJMYOV-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO N#CCSCCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180303619 1054749619 /nfs/dbraw/zinc/74/96/19/1054749619.db2.gz WUOMKOUMMJUQFI-KRWDZBQOSA-N 1 0 306.450 4.293 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000180456615 1054758531 /nfs/dbraw/zinc/75/85/31/1054758531.db2.gz VHEUEZUJDQRBII-CYBMUJFWSA-N 1 0 304.484 4.380 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000180455587 1054758759 /nfs/dbraw/zinc/75/87/59/1054758759.db2.gz PTEUCOSSRGAOJW-OLZOCXBDSA-N 1 0 306.500 4.297 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(C(=O)OC(C)C)cc2)CCCCC1 ZINC001473825592 1054760781 /nfs/dbraw/zinc/76/07/81/1054760781.db2.gz ZBFAURWZQOSZDG-UHFFFAOYSA-N 1 0 313.441 4.068 20 30 DIEDRO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(F)c1 ZINC001235656044 1054761036 /nfs/dbraw/zinc/76/10/36/1054761036.db2.gz AWCSXIHPNFYQIL-MRXNPFEDSA-N 1 0 312.363 4.216 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1ccncc1 ZINC001235628740 1054761978 /nfs/dbraw/zinc/76/19/78/1054761978.db2.gz SGHLLINJJVPELP-OHFIKTQHSA-N 1 0 303.409 4.015 20 30 DIEDRO C=CC[N@H+](Cc1ccc(O)c(OC(F)(F)F)c1)C(C)(C)C ZINC001235679597 1054773873 /nfs/dbraw/zinc/77/38/73/1054773873.db2.gz RIXYIUIUUSLRBP-UHFFFAOYSA-N 1 0 303.324 4.077 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+]C2CCC(C#N)CC2)cc1 ZINC001349612595 1054774310 /nfs/dbraw/zinc/77/43/10/1054774310.db2.gz PPFAZLGEEIXTHL-UHFFFAOYSA-N 1 0 300.446 4.078 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001454892762 1054787241 /nfs/dbraw/zinc/78/72/41/1054787241.db2.gz RWRHWBKIHGZEKP-FNDLEWIFSA-N 1 0 322.537 4.482 20 30 DIEDRO C#CC[N@H+](Cc1ccc2c(c1)CCCN2)[C@@H]1CCc2ccccc21 ZINC001235834804 1054818819 /nfs/dbraw/zinc/81/88/19/1054818819.db2.gz PEHTZFDDNIDEFO-JOCHJYFZSA-N 1 0 316.448 4.167 20 30 DIEDRO N#CC1CCC(C[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000849108172 1054841071 /nfs/dbraw/zinc/84/10/71/1054841071.db2.gz HRMKFXLCOJPSFT-UHFFFAOYSA-N 1 0 324.472 4.270 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000624003680 1054853284 /nfs/dbraw/zinc/85/32/84/1054853284.db2.gz GNNOBEWEJTUNOT-PGUXBMHVSA-N 1 0 317.326 4.086 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1ccco1 ZINC000624032452 1054862157 /nfs/dbraw/zinc/86/21/57/1054862157.db2.gz MUXIAJZHPCNVTJ-MJGOQNOKSA-N 1 0 315.413 4.273 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000624037263 1054863759 /nfs/dbraw/zinc/86/37/59/1054863759.db2.gz SZTDCFCGHGFMPT-LJQANCHMSA-N 1 0 310.441 4.372 20 30 DIEDRO Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2F)ccc1CC#N ZINC001236007063 1054891998 /nfs/dbraw/zinc/89/19/98/1054891998.db2.gz WVIXUIZKSJNBRB-UHFFFAOYSA-N 1 0 323.415 4.248 20 30 DIEDRO CC#Cc1cncc(-c2cccc(C[NH+]3CCCCC3)c2F)c1 ZINC001236015178 1054897538 /nfs/dbraw/zinc/89/75/38/1054897538.db2.gz LMDNKUBYNWSGAP-UHFFFAOYSA-N 1 0 308.400 4.245 20 30 DIEDRO N#CCOc1ccccc1-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236015855 1054899494 /nfs/dbraw/zinc/89/94/94/1054899494.db2.gz QAPCHOGTXXIOKP-UHFFFAOYSA-N 1 0 324.399 4.381 20 30 DIEDRO N#CC1(c2ccccc2-c2cccc(C3CC3)c2)CC[NH2+]CC1 ZINC001236087709 1054936345 /nfs/dbraw/zinc/93/63/45/1054936345.db2.gz MVXAAUNQIIBSDK-UHFFFAOYSA-N 1 0 302.421 4.376 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](CCCCCO)Cc1ccc(C#N)cc1 ZINC001236144249 1054967446 /nfs/dbraw/zinc/96/74/46/1054967446.db2.gz NOLUBLHSBJPJCN-GOSISDBHSA-N 1 0 322.452 4.284 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc2c(c1)OCO2 ZINC000182300702 1054977657 /nfs/dbraw/zinc/97/76/57/1054977657.db2.gz GSLCDBNGQRTVGC-CQSZACIVSA-N 1 0 322.408 4.067 20 30 DIEDRO Cc1ccc(C#N)nc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236231223 1055021714 /nfs/dbraw/zinc/02/17/14/1055021714.db2.gz HFGOAKCDKODOSK-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cccc(F)c2C#N)c1 ZINC001236319342 1055055387 /nfs/dbraw/zinc/05/53/87/1055055387.db2.gz QZZXBHHNFUOEEV-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)C(c1ccccc1)c1ccccc1 ZINC000183997734 1055064920 /nfs/dbraw/zinc/06/49/20/1055064920.db2.gz MIXNPPUTEXOSDS-QGZVFWFLSA-N 1 0 324.493 4.443 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1 ZINC001236445408 1055116163 /nfs/dbraw/zinc/11/61/63/1055116163.db2.gz CCUCLKRKPDBGJI-XDOYNYLZSA-N 1 0 308.425 4.224 20 30 DIEDRO C=CCCCCCCCN(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236446579 1055117583 /nfs/dbraw/zinc/11/75/83/1055117583.db2.gz BVLCJDNZCWEBLA-UHFFFAOYSA-N 1 0 315.505 4.162 20 30 DIEDRO C=CCCCCCCCN(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001236486606 1055142308 /nfs/dbraw/zinc/14/23/08/1055142308.db2.gz HMXKBGOKNCUHDZ-FQEVSTJZSA-N 1 0 315.505 4.162 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001536684083 1055155015 /nfs/dbraw/zinc/15/50/15/1055155015.db2.gz SNCRCFFMJFZMCU-QGZVFWFLSA-N 1 0 310.526 4.316 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1-c1ccc(C#N)cc1F ZINC001236532825 1055164900 /nfs/dbraw/zinc/16/49/00/1055164900.db2.gz ILIBBQDCTZCFNC-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(C#N)cc2F)cc1F ZINC001236534484 1055166343 /nfs/dbraw/zinc/16/63/43/1055166343.db2.gz GNXXPWMQNWDJIL-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000764489427 1055194899 /nfs/dbraw/zinc/19/48/99/1055194899.db2.gz BRVTWCAIBJBXDO-IERDGZPVSA-N 1 0 305.421 4.427 20 30 DIEDRO Cc1c(Br)cccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001236606312 1055204584 /nfs/dbraw/zinc/20/45/84/1055204584.db2.gz ZPSOZZXMUILLMR-XMQYKBBCSA-N 1 0 319.246 4.024 20 30 DIEDRO COc1ccc2sc(C[NH+]3CCC(C)(C#N)CC3)cc2c1 ZINC001236667355 1055221831 /nfs/dbraw/zinc/22/18/31/1055221831.db2.gz LOGUJHCNHZZBJE-UHFFFAOYSA-N 1 0 300.427 4.036 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cnc(OCC)c(F)c1 ZINC001236692332 1055233041 /nfs/dbraw/zinc/23/30/41/1055233041.db2.gz DVXBZMOZZSITAL-UHFFFAOYSA-N 1 0 314.404 4.198 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(O)c1 ZINC001236784254 1055257887 /nfs/dbraw/zinc/25/78/87/1055257887.db2.gz SKVANSWFVNCPRP-UHFFFAOYSA-N 1 0 320.436 4.012 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CCC3)C2)cc1Br ZINC001236866892 1055298157 /nfs/dbraw/zinc/29/81/57/1055298157.db2.gz WENANAUYRDKEQE-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)c3ccoc31)CC2 ZINC001236890999 1055304076 /nfs/dbraw/zinc/30/40/76/1055304076.db2.gz PPZRAYOFTCHXKB-UHFFFAOYSA-N 1 0 306.340 4.002 20 30 DIEDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765016534 1055315546 /nfs/dbraw/zinc/31/55/46/1055315546.db2.gz VXLFAMFLMXFDOS-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@H](C#N)CC3)cn2)c1C ZINC001236987515 1055325269 /nfs/dbraw/zinc/32/52/69/1055325269.db2.gz BYZUNSIQBZSINU-SFHVURJKSA-N 1 0 319.452 4.491 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236991702 1055327489 /nfs/dbraw/zinc/32/74/89/1055327489.db2.gz XSHSLTBEOJEORC-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@H](CC#N)C3)cn2)c1C ZINC001236991856 1055330969 /nfs/dbraw/zinc/33/09/69/1055330969.db2.gz FIVMHHGUEQCKBJ-GOSISDBHSA-N 1 0 319.452 4.491 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237001881 1055331771 /nfs/dbraw/zinc/33/17/71/1055331771.db2.gz MYQUHSXMBCAUBE-NJZPDEBBSA-N 1 0 321.399 4.154 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000765120967 1055332368 /nfs/dbraw/zinc/33/23/68/1055332368.db2.gz NJEHVIWKOQBRCU-ZRGWGRIASA-N 1 0 309.409 4.266 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC(C)C)cc1 ZINC000765252770 1055344045 /nfs/dbraw/zinc/34/40/45/1055344045.db2.gz CLBJDDPPKQNXOL-QGZVFWFLSA-N 1 0 323.436 4.337 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(-c2ccccc2OC(F)(F)F)nc1 ZINC001237020336 1055344740 /nfs/dbraw/zinc/34/47/40/1055344740.db2.gz OAUJJDOCOXJEPI-UHFFFAOYSA-N 1 0 322.330 4.265 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(O)cc2ccccc21 ZINC001237067539 1055359013 /nfs/dbraw/zinc/35/90/13/1055359013.db2.gz FXDIEUZPZGMLDV-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237059495 1055359538 /nfs/dbraw/zinc/35/95/38/1055359538.db2.gz OWRYNSLLQJJFSO-UHFFFAOYSA-N 1 0 317.351 4.121 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000765308914 1055361413 /nfs/dbraw/zinc/36/14/13/1055361413.db2.gz XMLOQZMNGOVHTR-HNNXBMFYSA-N 1 0 311.450 4.271 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000765348332 1055370954 /nfs/dbraw/zinc/37/09/54/1055370954.db2.gz JUKMLLIUGITXLX-NVXWUHKLSA-N 1 0 316.445 4.429 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000765416585 1055383566 /nfs/dbraw/zinc/38/35/66/1055383566.db2.gz OBCUAQLOPXVUOB-KRWDZBQOSA-N 1 0 320.436 4.177 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccnc2c(Cl)cccc12 ZINC001237147952 1055383880 /nfs/dbraw/zinc/38/38/80/1055383880.db2.gz KNIVKAXBPYXWBW-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc(OC)c(COC)c1)c1ccccc1 ZINC000765417043 1055384962 /nfs/dbraw/zinc/38/49/62/1055384962.db2.gz QSPNSONTSMVBQQ-MRXNPFEDSA-N 1 0 311.425 4.206 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000765426537 1055387360 /nfs/dbraw/zinc/38/73/60/1055387360.db2.gz NCYKMGYESNTFTM-VBKZILBWSA-N 1 0 309.384 4.176 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CSCc3ccccc32)cc1 ZINC000765428772 1055389499 /nfs/dbraw/zinc/38/94/99/1055389499.db2.gz YRPZYNVWJNEDCH-YWZLYKJASA-N 1 0 323.461 4.337 20 30 DIEDRO C=CCCC[C@@H](C)OC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000765480837 1055399334 /nfs/dbraw/zinc/39/93/34/1055399334.db2.gz KQXLWPZBXGAFGM-QGZVFWFLSA-N 1 0 315.457 4.187 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CC1)NCCc1ccccc12 ZINC001237275029 1055412503 /nfs/dbraw/zinc/41/25/03/1055412503.db2.gz JHMKYJZGCKMRSK-UHFFFAOYSA-N 1 0 300.490 4.094 20 30 DIEDRO SC1CC[NH+](Cc2ccccc2CCc2ccccc2)CC1 ZINC001237294158 1055418614 /nfs/dbraw/zinc/41/86/14/1055418614.db2.gz GZXRHJZFOAKLQB-UHFFFAOYSA-N 1 0 311.494 4.366 20 30 DIEDRO N#CC1CC[NH+](Cc2ccccc2CCc2ccccc2)CC1 ZINC001237296741 1055421420 /nfs/dbraw/zinc/42/14/20/1055421420.db2.gz DOGDUFLFOXTXMX-UHFFFAOYSA-N 1 0 304.437 4.207 20 30 DIEDRO C=CCN(Cc1cc(O)c(C)cc1Br)C(C)(C)C ZINC001237308397 1055424126 /nfs/dbraw/zinc/42/41/26/1055424126.db2.gz VKDNGLJXITXQHM-UHFFFAOYSA-N 1 0 312.251 4.250 20 30 DIEDRO COc1ccc(-c2ccccc2)c(C[NH+]2CCC(CC#N)CC2)c1 ZINC001237306415 1055424748 /nfs/dbraw/zinc/42/47/48/1055424748.db2.gz GMOVGBSTYCJMDS-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@H](c4ccccc4)C3)c[nH]c2c1 ZINC001142911965 1055444426 /nfs/dbraw/zinc/44/44/26/1055444426.db2.gz PXRXTMYYVAUXTE-KRWDZBQOSA-N 1 0 301.393 4.029 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccccc1NC(C)=O ZINC001237417385 1055451170 /nfs/dbraw/zinc/45/11/70/1055451170.db2.gz RIYNRLPFKLBWNR-UHFFFAOYSA-N 1 0 308.425 4.223 20 30 DIEDRO C=CC[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)C1CCCCC1 ZINC001237473354 1055459845 /nfs/dbraw/zinc/45/98/45/1055459845.db2.gz YGWWSLUSIUVSIA-UHFFFAOYSA-N 1 0 307.441 4.371 20 30 DIEDRO N#Cc1cc(C[N@H+](Cc2ccccc2)C2CCC2)c(F)cc1F ZINC001237538835 1055470089 /nfs/dbraw/zinc/47/00/89/1055470089.db2.gz VYPVPXCBIQOEEH-UHFFFAOYSA-N 1 0 312.363 4.391 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(-c2ccccc2)n1 ZINC001237552231 1055474472 /nfs/dbraw/zinc/47/44/72/1055474472.db2.gz NUBYCKAQYGGFIG-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC001620855235 1055483431 /nfs/dbraw/zinc/48/34/31/1055483431.db2.gz PCONZQBOKPIZCL-UHFFFAOYSA-N 1 0 311.425 4.045 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@@H]2CC)ccc1OC ZINC001620860673 1055488741 /nfs/dbraw/zinc/48/87/41/1055488741.db2.gz RSRYQCSMUKCDDF-IRXDYDNUSA-N 1 0 303.446 4.318 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237645262 1055494348 /nfs/dbraw/zinc/49/43/48/1055494348.db2.gz IHCJLFRJRGVNEP-OAHLLOKOSA-N 1 0 324.399 4.324 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921543892 1055496367 /nfs/dbraw/zinc/49/63/67/1055496367.db2.gz NDZJATBDIZFAKN-CYBMUJFWSA-N 1 0 300.427 4.258 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccccc1-c1ccc(C)cc1C ZINC001620884705 1055508508 /nfs/dbraw/zinc/50/85/08/1055508508.db2.gz RNCCOGKXLOFCCH-GOSISDBHSA-N 1 0 309.453 4.245 20 30 DIEDRO C(#CC1CC[NH+](Cc2cnc(C3CC3)s2)CC1)c1ccccc1 ZINC001237793214 1055529011 /nfs/dbraw/zinc/52/90/11/1055529011.db2.gz RKKUUWOJWPUVMZ-UHFFFAOYSA-N 1 0 322.477 4.284 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)C1CCCC1 ZINC001620936091 1055550184 /nfs/dbraw/zinc/55/01/84/1055550184.db2.gz QDUYZMYRQDSTCZ-INIZCTEOSA-N 1 0 321.262 4.379 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC001620931680 1055546859 /nfs/dbraw/zinc/54/68/59/1055546859.db2.gz FHRGQLUXFFNICJ-HNNXBMFYSA-N 1 0 303.446 4.245 20 30 DIEDRO C=C(C)C[NH2+]Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC001620935063 1055550225 /nfs/dbraw/zinc/55/02/25/1055550225.db2.gz ZNHGDZWRMUMOFX-UHFFFAOYSA-N 1 0 317.864 4.374 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)cc1 ZINC001620942322 1055557254 /nfs/dbraw/zinc/55/72/54/1055557254.db2.gz BKLGMHVWHVSRCQ-UHFFFAOYSA-N 1 0 316.379 4.159 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC001620943289 1055557443 /nfs/dbraw/zinc/55/74/43/1055557443.db2.gz RHTIUAGKFIDTNP-SJORKVTESA-N 1 0 317.429 4.377 20 30 DIEDRO C=CC[NH+](CC=C)Cc1c[nH]c2cc(F)c(Br)cc12 ZINC001237935931 1055560201 /nfs/dbraw/zinc/56/02/01/1055560201.db2.gz YZLMAIOWFOXXGT-UHFFFAOYSA-N 1 0 323.209 4.244 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC001620950034 1055565743 /nfs/dbraw/zinc/56/57/43/1055565743.db2.gz MYVAFSRYNHIHAO-UHFFFAOYSA-N 1 0 301.352 4.320 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237983303 1055574739 /nfs/dbraw/zinc/57/47/39/1055574739.db2.gz OSYFYVDMTBEGCY-UHFFFAOYSA-N 1 0 302.443 4.304 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC001620955250 1055577780 /nfs/dbraw/zinc/57/77/80/1055577780.db2.gz XYTKBWUWTWTMFT-BRWVUGGUSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000671659853 1055586988 /nfs/dbraw/zinc/58/69/88/1055586988.db2.gz LIEMOICSZOWVEJ-LJQANCHMSA-N 1 0 315.363 4.307 20 30 DIEDRO C=CC[N@@H+](Cc1cc(C2CC2)cnc1OC)C1CCCCC1 ZINC001238036938 1055589775 /nfs/dbraw/zinc/58/97/75/1055589775.db2.gz UDNGHTYAQUDSAD-UHFFFAOYSA-N 1 0 300.446 4.288 20 30 DIEDRO CC1(C)CCC2(CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)O1 ZINC001238083891 1055603822 /nfs/dbraw/zinc/60/38/22/1055603822.db2.gz CWSZZIITXZSEDC-UHFFFAOYSA-N 1 0 318.848 4.135 20 30 DIEDRO CN(Cc1ccc(C#N)cc1Cl)Cc1cccc2cccnc21 ZINC001238086144 1055604078 /nfs/dbraw/zinc/60/40/78/1055604078.db2.gz XABURQQDDFPVNS-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001238131002 1055610156 /nfs/dbraw/zinc/61/01/56/1055610156.db2.gz VHQISLNZVFSJMG-UHFFFAOYSA-N 1 0 316.445 4.232 20 30 DIEDRO N#Cc1cc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)ccc1Cl ZINC001238193152 1055617044 /nfs/dbraw/zinc/61/70/44/1055617044.db2.gz YPOSEPXTBSMMOV-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238198095 1055618856 /nfs/dbraw/zinc/61/88/56/1055618856.db2.gz HBZKHXTYOCZDET-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(-c2cccs2)n1 ZINC001238216688 1055623534 /nfs/dbraw/zinc/62/35/34/1055623534.db2.gz PEXOKMNGMCASKP-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(O)c1F ZINC001238361955 1055645954 /nfs/dbraw/zinc/64/59/54/1055645954.db2.gz ZYHYOJIBBJTDMP-UHFFFAOYSA-N 1 0 315.388 4.118 20 30 DIEDRO COc1cc(C[N@H+](C)Cc2cccc3ccccc32)ccc1C#N ZINC001238407144 1055653424 /nfs/dbraw/zinc/65/34/24/1055653424.db2.gz LPNBMDUJMGDSIF-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO C=CCCCCCCCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001596115114 1055672328 /nfs/dbraw/zinc/67/23/28/1055672328.db2.gz ZSKWVXNLAFTGNA-UHFFFAOYSA-N 1 0 313.445 4.289 20 30 DIEDRO CCCCCCCCCCCC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001538626117 1055675835 /nfs/dbraw/zinc/67/58/35/1055675835.db2.gz DOEYKXDJGCVOCJ-QUCCMNQESA-N 1 0 322.537 4.317 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC001620965541 1055679664 /nfs/dbraw/zinc/67/96/64/1055679664.db2.gz JFFRNSODOXIAKD-UHFFFAOYSA-N 1 0 308.425 4.295 20 30 DIEDRO CCCCCCCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001596337824 1055697776 /nfs/dbraw/zinc/69/77/76/1055697776.db2.gz CDYGKJWDPMITAG-IBGZPJMESA-N 1 0 316.489 4.128 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)cc(OC)c1O ZINC001620967023 1055703244 /nfs/dbraw/zinc/70/32/44/1055703244.db2.gz QGDZZUMPFXAUCS-SJORKVTESA-N 1 0 317.473 4.434 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC001620967569 1055711524 /nfs/dbraw/zinc/71/15/24/1055711524.db2.gz NKYCSRWMDBVKDK-LJQANCHMSA-N 1 0 318.420 4.217 20 30 DIEDRO CCc1cc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)ccc1C#N ZINC001238768119 1055744855 /nfs/dbraw/zinc/74/48/55/1055744855.db2.gz FZSIJHGQXWZCCM-UHFFFAOYSA-N 1 0 312.457 4.044 20 30 DIEDRO CCc1cc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)ccc1C#N ZINC001238768582 1055744989 /nfs/dbraw/zinc/74/49/89/1055744989.db2.gz LHZITQZEHGTBOY-KDURUIRLSA-N 1 0 302.421 4.207 20 30 DIEDRO CCc1cc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)ccc1C#N ZINC001238768971 1055745697 /nfs/dbraw/zinc/74/56/97/1055745697.db2.gz NXYIZTKLZJOFPI-SFHVURJKSA-N 1 0 300.421 4.225 20 30 DIEDRO C=C[C@H](CC)CC(=O)N(C[C@H](C)[NH+](C)C)c1c(C)cccc1C ZINC001596785559 1055746165 /nfs/dbraw/zinc/74/61/65/1055746165.db2.gz DXVJMYBJFRVBQN-ZWKOTPCHSA-N 1 0 316.489 4.189 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)c1 ZINC001620970119 1055746384 /nfs/dbraw/zinc/74/63/84/1055746384.db2.gz CSDUQYOBBNCDLT-UHFFFAOYSA-N 1 0 308.183 4.404 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC001238777419 1055746961 /nfs/dbraw/zinc/74/69/61/1055746961.db2.gz DWAXKXFYRQQRJM-LJQANCHMSA-N 1 0 308.400 4.249 20 30 DIEDRO C=C[C@@H](CC)CC(=O)N(C[C@H](C)[NH+](C)C)c1c(C)cccc1C ZINC001596785558 1055747061 /nfs/dbraw/zinc/74/70/61/1055747061.db2.gz DXVJMYBJFRVBQN-ROUUACIJSA-N 1 0 316.489 4.189 20 30 DIEDRO COc1cc(C[NH2+]CCCCCc2ccccc2)ccc1C#N ZINC001649054174 1055775541 /nfs/dbraw/zinc/77/55/41/1055775541.db2.gz ACYCNGIEPBEAFD-UHFFFAOYSA-N 1 0 308.425 4.069 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001597032955 1055779203 /nfs/dbraw/zinc/77/92/03/1055779203.db2.gz UMODBXBXVRCWCR-ROUUACIJSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001597033632 1055779443 /nfs/dbraw/zinc/77/94/43/1055779443.db2.gz XBBLLPRKEFMVII-WJFTUGDTSA-N 1 0 322.537 4.220 20 30 DIEDRO C=C[C@H](CC)CC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC001566730761 1055780330 /nfs/dbraw/zinc/78/03/30/1055780330.db2.gz IDCNMZSRRWPNAN-OAHLLOKOSA-N 1 0 300.446 4.199 20 30 DIEDRO Cc1ccc(-c2cnc(C#N)c(F)c2)c(C[NH+]2CCCCC2)c1 ZINC001238992965 1055816598 /nfs/dbraw/zinc/81/65/98/1055816598.db2.gz KVSKCJLTUQAGSN-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2cnccc2c1 ZINC001620974716 1055816985 /nfs/dbraw/zinc/81/69/85/1055816985.db2.gz UWTYSODHURKUIC-NRFANRHFSA-N 1 0 313.404 4.274 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(F)ncc2OC)cc1 ZINC001239041531 1055829841 /nfs/dbraw/zinc/82/98/41/1055829841.db2.gz UBEMRRROOLLVSB-KRWDZBQOSA-N 1 0 312.388 4.219 20 30 DIEDRO CCCCCCCCNC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001239191951 1055846248 /nfs/dbraw/zinc/84/62/48/1055846248.db2.gz YNJHWCVLCCXDPW-QGZVFWFLSA-N 1 0 317.477 4.246 20 30 DIEDRO CCCCCCCCNC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC001239195274 1055848295 /nfs/dbraw/zinc/84/82/95/1055848295.db2.gz PDBOKVHAXPFMIA-UHFFFAOYSA-N 1 0 305.466 4.278 20 30 DIEDRO CCCCCCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2(C)C ZINC001239201063 1055849615 /nfs/dbraw/zinc/84/96/15/1055849615.db2.gz CJCODQXBAHYXEL-UHFFFAOYSA-N 1 0 317.477 4.159 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC001239305674 1055862432 /nfs/dbraw/zinc/86/24/32/1055862432.db2.gz ARVFXOYUGHATRF-INIZCTEOSA-N 1 0 323.525 4.052 20 30 DIEDRO CCCCCCCCCOC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001239322076 1055869602 /nfs/dbraw/zinc/86/96/02/1055869602.db2.gz TVOMROKKWUBLGF-FVQHAEBGSA-N 1 0 310.482 4.136 20 30 DIEDRO CCCCCCCOC(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001239327596 1055873543 /nfs/dbraw/zinc/87/35/43/1055873543.db2.gz TUZIPEMUDCPIBZ-MRXNPFEDSA-N 1 0 310.482 4.138 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001569790894 1055873459 /nfs/dbraw/zinc/87/34/59/1055873459.db2.gz SHMUEQDDTNLMFB-ZWKOTPCHSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCCCCOC(=O)N1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001239328858 1055874102 /nfs/dbraw/zinc/87/41/02/1055874102.db2.gz OKPOGZJJPYMQHV-JKSUJKDBSA-N 1 0 316.461 4.025 20 30 DIEDRO CCCCCCCCCOC(=O)N1CCC2(CC[C@@H]2[NH3+])CC1 ZINC001239341709 1055875147 /nfs/dbraw/zinc/87/51/47/1055875147.db2.gz SEVYZLUIAUCNIA-INIZCTEOSA-N 1 0 310.482 4.077 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc3cnccc32)cc1 ZINC000671723950 1055880001 /nfs/dbraw/zinc/88/00/01/1055880001.db2.gz DDNOUFZIPMCQHN-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C=CC1(CC(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)CCCCC1 ZINC001539747358 1055895785 /nfs/dbraw/zinc/89/57/85/1055895785.db2.gz WHJRKLKMWODFDO-MSOLQXFVSA-N 1 0 320.521 4.234 20 30 DIEDRO Cc1ccc(OCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001620758969 1055929503 /nfs/dbraw/zinc/92/95/03/1055929503.db2.gz FBYRTCMVTBURKJ-UHFFFAOYSA-N 1 0 320.436 4.109 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1(C)C ZINC001621121334 1055940663 /nfs/dbraw/zinc/94/06/63/1055940663.db2.gz CWTPJNBFVISVTC-QZTJIDSGSA-N 1 0 314.473 4.123 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C(C)(C)CCc2ccccc2)cc1 ZINC001620772518 1055940913 /nfs/dbraw/zinc/94/09/13/1055940913.db2.gz IHYKLDQWQIBUBR-UHFFFAOYSA-N 1 0 307.437 4.200 20 30 DIEDRO C=CCc1cc(C[NH2+]C2CCC(CC)CC2)cc(OC)c1OC ZINC001620781153 1055948126 /nfs/dbraw/zinc/94/81/26/1055948126.db2.gz RLLOYWKONALQBI-UHFFFAOYSA-N 1 0 317.473 4.491 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC001620984717 1055956132 /nfs/dbraw/zinc/95/61/32/1055956132.db2.gz CERDQMRNWDHGLT-UHFFFAOYSA-N 1 0 305.208 4.349 20 30 DIEDRO C=CCC1([NH2+]Cc2nc(-c3ccccc3F)no2)CCCCC1 ZINC001620499701 1055957593 /nfs/dbraw/zinc/95/75/93/1055957593.db2.gz AWLHBRKMHCOJBQ-UHFFFAOYSA-N 1 0 315.392 4.244 20 30 DIEDRO C=CCC1([NH2+]Cc2sncc2Br)CCCCC1 ZINC001620499539 1055957806 /nfs/dbraw/zinc/95/78/06/1055957806.db2.gz UTEUQWOAFSINNI-UHFFFAOYSA-N 1 0 315.280 4.274 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CCCCO2)cc1Cl ZINC001620987350 1055960826 /nfs/dbraw/zinc/96/08/26/1055960826.db2.gz RUPLTIZGELMFSZ-AEFFLSMTSA-N 1 0 323.864 4.342 20 30 DIEDRO COC(=O)C(C)(C)C[N@H+](CCCCC1(C#N)CCC1)CC(C)C ZINC001620539188 1055963922 /nfs/dbraw/zinc/96/39/22/1055963922.db2.gz XNXOUADCUCWMOH-UHFFFAOYSA-N 1 0 322.493 4.008 20 30 DIEDRO C[C@H]1CC(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)C1 ZINC001620999222 1055967190 /nfs/dbraw/zinc/96/71/90/1055967190.db2.gz IBMKTSXJEBGXSB-IAGOWNOFSA-N 1 0 313.489 4.198 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC001620573845 1055968799 /nfs/dbraw/zinc/96/87/99/1055968799.db2.gz YSBMYBBQPXNBPT-QGZVFWFLSA-N 1 0 323.411 4.250 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC001621004146 1055970998 /nfs/dbraw/zinc/97/09/98/1055970998.db2.gz KZDCCYFJBTXOJF-IRXDYDNUSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(OC)OC)ccc1F ZINC001621004206 1055971275 /nfs/dbraw/zinc/97/12/75/1055971275.db2.gz NXOAPZKFGCKAAT-KBXCAEBGSA-N 1 0 321.436 4.342 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1snc(OC)c1Cl ZINC001621004078 1055971302 /nfs/dbraw/zinc/97/13/02/1055971302.db2.gz HUGMRUDYPQJIPC-WDEREUQCSA-N 1 0 300.855 4.030 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)cc2)CC1 ZINC001620794386 1055971532 /nfs/dbraw/zinc/97/15/32/1055971532.db2.gz QVCSUVIMLFXDBZ-NRFANRHFSA-N 1 0 316.448 4.353 20 30 DIEDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001620591503 1055971958 /nfs/dbraw/zinc/97/19/58/1055971958.db2.gz HAQQQTXYFQXUJN-CHWSQXEVSA-N 1 0 310.363 4.445 20 30 DIEDRO Cc1ccc(-c2ccc(C[NH2+]CCc3ccc(C#N)cc3)o2)cc1 ZINC001621004378 1055972358 /nfs/dbraw/zinc/97/23/58/1055972358.db2.gz VTZUHXCEIRIXGS-UHFFFAOYSA-N 1 0 316.404 4.459 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC001621013616 1055979893 /nfs/dbraw/zinc/97/98/93/1055979893.db2.gz KXKGBVDHXDZVIG-YESZJQIVSA-N 1 0 324.509 4.260 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC001621013613 1055980072 /nfs/dbraw/zinc/98/00/72/1055980072.db2.gz KXKGBVDHXDZVIG-BRWVUGGUSA-N 1 0 324.509 4.260 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC001621016684 1055981587 /nfs/dbraw/zinc/98/15/87/1055981587.db2.gz STWRMXMIYVSFAD-UHFFFAOYSA-N 1 0 310.441 4.353 20 30 DIEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC001621023593 1055988571 /nfs/dbraw/zinc/98/85/71/1055988571.db2.gz RBSHVRVVVTUDJM-ZDUSSCGKSA-N 1 0 319.857 4.196 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@](C)(CC)c2ccc(F)cc2)cc1 ZINC001621030256 1055992387 /nfs/dbraw/zinc/99/23/87/1055992387.db2.gz ZNUYZLKYNMKAIT-FQEVSTJZSA-N 1 0 311.400 4.253 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC001621028715 1055993426 /nfs/dbraw/zinc/99/34/26/1055993426.db2.gz NKPGGGPRJRHJCZ-AWEZNQCLSA-N 1 0 303.446 4.101 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC=C)c2ccncc2)cc1OC ZINC001620799983 1055994366 /nfs/dbraw/zinc/99/43/66/1055994366.db2.gz UIGKKGNWXIFKSK-GOSISDBHSA-N 1 0 324.424 4.062 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC=C)c2ccncc2)cc1OC ZINC001620799984 1055994801 /nfs/dbraw/zinc/99/48/01/1055994801.db2.gz UIGKKGNWXIFKSK-SFHVURJKSA-N 1 0 324.424 4.062 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001621035964 1055997379 /nfs/dbraw/zinc/99/73/79/1055997379.db2.gz NPHKKKNXLUQEGJ-DOTOQJQBSA-N 1 0 322.374 4.409 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CCCC1 ZINC001621044949 1056003271 /nfs/dbraw/zinc/00/32/71/1056003271.db2.gz CYPFNKQIRKWQSC-UHFFFAOYSA-N 1 0 323.411 4.440 20 30 DIEDRO CCC[C@H](C)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC001621049153 1056008470 /nfs/dbraw/zinc/00/84/70/1056008470.db2.gz PJHRGVXQMWSNJS-KRWDZBQOSA-N 1 0 324.472 4.380 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1Cl ZINC001621052635 1056010379 /nfs/dbraw/zinc/01/03/79/1056010379.db2.gz FOEBDZNNGHYMQE-ZDUSSCGKSA-N 1 0 317.816 4.461 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(Br)c2C)CC1 ZINC001621054886 1056013316 /nfs/dbraw/zinc/01/33/16/1056013316.db2.gz XUKOCWFPUCZUKI-KOMQPUFPSA-N 1 0 320.274 4.348 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cccc(OC)c1OC(F)F ZINC001621056348 1056014812 /nfs/dbraw/zinc/01/48/12/1056014812.db2.gz VTQNRPPQEDICGH-UHFFFAOYSA-N 1 0 313.388 4.379 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1ccc(C#C[Si](C)(C)C)cn1 ZINC001239680159 1056023182 /nfs/dbraw/zinc/02/31/82/1056023182.db2.gz LUCHNKMGJFUIHE-UHFFFAOYSA-N 1 0 308.501 4.039 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1nc2ccccc2cc1CC#N ZINC001239682072 1056025044 /nfs/dbraw/zinc/02/50/44/1056025044.db2.gz BGHYSUJLTLKYAK-UHFFFAOYSA-N 1 0 301.393 4.029 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1cc(OC2CCC2)cc(F)c1C#N ZINC001239685053 1056028138 /nfs/dbraw/zinc/02/81/38/1056028138.db2.gz XWEFMJZDSKZUPD-UHFFFAOYSA-N 1 0 324.399 4.357 20 30 DIEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC001621339226 1056045476 /nfs/dbraw/zinc/04/54/76/1056045476.db2.gz FKEXTOWWUXHMBJ-YLJYHZDGSA-N 1 0 305.425 4.017 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC001621340196 1056046118 /nfs/dbraw/zinc/04/61/18/1056046118.db2.gz DEAMVZRUPFWBKO-ZDUSSCGKSA-N 1 0 308.263 4.108 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC001621340370 1056046458 /nfs/dbraw/zinc/04/64/58/1056046458.db2.gz JOMNADZMECZHHA-UHFFFAOYSA-N 1 0 311.454 4.365 20 30 DIEDRO C=CCCCC[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001168605059 1056053360 /nfs/dbraw/zinc/05/33/60/1056053360.db2.gz VYXJYYBIZVPHCI-UHFFFAOYSA-N 1 0 322.493 4.066 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000765779534 1056072081 /nfs/dbraw/zinc/07/20/81/1056072081.db2.gz YGMOEMJYOQEORQ-VIFPVBQESA-N 1 0 324.140 4.144 20 30 DIEDRO C=CC(C)(C)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001610450209 1056073598 /nfs/dbraw/zinc/07/35/98/1056073598.db2.gz BCGCSDCEFHLTSP-AEFFLSMTSA-N 1 0 316.489 4.080 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001540963906 1056087271 /nfs/dbraw/zinc/08/72/71/1056087271.db2.gz KMULIISTJXXKOD-OKZBNKHCSA-N 1 0 308.510 4.116 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000186303412 1056093233 /nfs/dbraw/zinc/09/32/33/1056093233.db2.gz ASCOKCXJUAXMCU-KRWDZBQOSA-N 1 0 324.449 4.166 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000186319446 1056101652 /nfs/dbraw/zinc/10/16/52/1056101652.db2.gz WLWMTAVGOGVRKF-ZDUSSCGKSA-N 1 0 316.351 4.319 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000186319397 1056102248 /nfs/dbraw/zinc/10/22/48/1056102248.db2.gz RCVKNVUENDFDOJ-ZDUSSCGKSA-N 1 0 316.351 4.319 20 30 DIEDRO N#Cc1c(F)cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)cc1F ZINC001239920936 1056160549 /nfs/dbraw/zinc/16/05/49/1056160549.db2.gz PVOLJYIPKAFKOD-UHFFFAOYSA-N 1 0 324.374 4.071 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(N(CC)CC)c(F)c1)c1ccccc1 ZINC001649117136 1056168440 /nfs/dbraw/zinc/16/84/40/1056168440.db2.gz CJKGEEAAJUGEGX-UHFFFAOYSA-N 1 0 312.432 4.475 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)ccc1C#N ZINC001620820473 1056171196 /nfs/dbraw/zinc/17/11/96/1056171196.db2.gz UBMDKMUBIHZNHA-LJQANCHMSA-N 1 0 312.363 4.386 20 30 DIEDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc(C#N)c2ccsc21 ZINC001611731875 1056182275 /nfs/dbraw/zinc/18/22/75/1056182275.db2.gz LBHSBXVECMSPDH-ZDUSSCGKSA-N 1 0 316.474 4.090 20 30 DIEDRO CC(C)Oc1cccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001239970919 1056211927 /nfs/dbraw/zinc/21/19/27/1056211927.db2.gz VACXUEFJODRTTA-UHFFFAOYSA-N 1 0 320.436 4.286 20 30 DIEDRO Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)c(C#N)c(C)c1C ZINC001240050406 1056284207 /nfs/dbraw/zinc/28/42/07/1056284207.db2.gz DNUYSHFOGIGDPY-UHFFFAOYSA-N 1 0 305.425 4.141 20 30 DIEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCOC1 ZINC000107687236 1056304768 /nfs/dbraw/zinc/30/47/68/1056304768.db2.gz VDAATURFCINBRE-SFHVURJKSA-N 1 0 320.436 4.084 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1ccc(C#N)cc1 ZINC000298679003 1056320243 /nfs/dbraw/zinc/32/02/43/1056320243.db2.gz DTBHYVVNLLIPKZ-NSHDSACASA-N 1 0 322.380 4.458 20 30 DIEDRO C[C@H]1C[C@@H](Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000301541257 1056333149 /nfs/dbraw/zinc/33/31/49/1056333149.db2.gz NMOCWUPANKACPO-KXBFYZLASA-N 1 0 323.415 4.162 20 30 DIEDRO C[C@@H]1C[C@H](Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000301535514 1056334601 /nfs/dbraw/zinc/33/46/01/1056334601.db2.gz LMFWPSUMTSNHCS-OXQOHEQNSA-N 1 0 305.425 4.023 20 30 DIEDRO N#Cc1ccc(-c2ccc(SC3CC[NH2+]CC3)cc2)cc1F ZINC001240162179 1056358345 /nfs/dbraw/zinc/35/83/45/1056358345.db2.gz DVCLGJAHUVROAO-UHFFFAOYSA-N 1 0 312.413 4.208 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2ccc(C#N)c(F)c2)c1F ZINC001240163045 1056359934 /nfs/dbraw/zinc/35/99/34/1056359934.db2.gz ZIMOSXDSDALXJA-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc3c(c2)CCC3)cc1C#N ZINC001621067227 1056364303 /nfs/dbraw/zinc/36/43/03/1056364303.db2.gz KQNDVABGKTYYAL-UHFFFAOYSA-N 1 0 308.450 4.059 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000123164404 1056375280 /nfs/dbraw/zinc/37/52/80/1056375280.db2.gz RAHJCTMJBYKJNP-SFHVURJKSA-N 1 0 318.342 4.462 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000554740535 1056381612 /nfs/dbraw/zinc/38/16/12/1056381612.db2.gz BEMXKABMIAMZQX-LJQANCHMSA-N 1 0 312.388 4.289 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2c(s1)CCCC2 ZINC000404612788 1056406005 /nfs/dbraw/zinc/40/60/05/1056406005.db2.gz QNKOXERELRVJNJ-LBPRGKRZSA-N 1 0 314.429 4.488 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1F ZINC000404675224 1056409450 /nfs/dbraw/zinc/40/94/50/1056409450.db2.gz FXCBXVGOJYBKIO-IBGZPJMESA-N 1 0 319.383 4.346 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001544358118 1056413448 /nfs/dbraw/zinc/41/34/48/1056413448.db2.gz VABNCLLGTPLMSJ-OALUTQOASA-N 1 0 322.537 4.460 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccc2ccccc2n1 ZINC000303796117 1056418294 /nfs/dbraw/zinc/41/82/94/1056418294.db2.gz RKHLMNLZWDMNJZ-UHFFFAOYSA-N 1 0 302.421 4.466 20 30 DIEDRO COc1ccc2ccccc2c1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240350436 1056442457 /nfs/dbraw/zinc/44/24/57/1056442457.db2.gz BUUFGWVHJVEXEW-UHFFFAOYSA-N 1 0 314.388 4.074 20 30 DIEDRO Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c(C(F)(F)F)c1 ZINC001240351229 1056442533 /nfs/dbraw/zinc/44/25/33/1056442533.db2.gz MWAPHCQJTHXLNI-UHFFFAOYSA-N 1 0 316.326 4.239 20 30 DIEDRO Cc1cc(C)c(OC(C)C)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240360865 1056445729 /nfs/dbraw/zinc/44/57/29/1056445729.db2.gz JBZIAIRUVORMMN-UHFFFAOYSA-N 1 0 320.436 4.316 20 30 DIEDRO Cc1cc(OC(C)C)ccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240361150 1056445767 /nfs/dbraw/zinc/44/57/67/1056445767.db2.gz TXBTUBYFZUEJRN-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc3ncnc(C#N)c3c2)cc1 ZINC001240373324 1056460128 /nfs/dbraw/zinc/46/01/28/1056460128.db2.gz DUZFKXGBKUMMAD-UHFFFAOYSA-N 1 0 316.408 4.057 20 30 DIEDRO CC(C)c1ccc(C#N)c(C2=CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001240384560 1056465266 /nfs/dbraw/zinc/46/52/66/1056465266.db2.gz CRMNPVIHYHASPU-UHFFFAOYSA-N 1 0 317.436 4.366 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)c(Cl)n1 ZINC001615168861 1056470468 /nfs/dbraw/zinc/47/04/68/1056470468.db2.gz JHBLDTPCMPARKQ-UHFFFAOYSA-N 1 0 313.832 4.327 20 30 DIEDRO C=CCN(Cc1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001615232971 1056479509 /nfs/dbraw/zinc/47/95/09/1056479509.db2.gz AGYYOKNFYMVMPI-HXUWFJFHSA-N 1 0 324.443 4.088 20 30 DIEDRO CCCCCC[C@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC001615229420 1056480349 /nfs/dbraw/zinc/48/03/49/1056480349.db2.gz JFZZCKRZJJGFSS-APWZRJJASA-N 1 0 302.462 4.272 20 30 DIEDRO C#CC[N@H+](C[C@H]1CCC2(CCCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615265770 1056484114 /nfs/dbraw/zinc/48/41/14/1056484114.db2.gz WWHYHRAHWUGSSI-UYAOXDASSA-N 1 0 309.453 4.101 20 30 DIEDRO N#Cc1ccnc(C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)c1 ZINC001615252274 1056485048 /nfs/dbraw/zinc/48/50/48/1056485048.db2.gz XYBTYXKLCWOEBZ-NRFANRHFSA-N 1 0 313.404 4.444 20 30 DIEDRO C[NH+](C)CCc1c[nH]c2ccc(-c3ccc(Cl)c(C#N)c3)cc12 ZINC001240405130 1056485654 /nfs/dbraw/zinc/48/56/54/1056485654.db2.gz WAJSCHPQOLCVKN-UHFFFAOYSA-N 1 0 323.827 4.464 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](CCc1ccccc1)CC(C)C ZINC001615280371 1056486632 /nfs/dbraw/zinc/48/66/32/1056486632.db2.gz RKDJYRPBJLFDPQ-UHFFFAOYSA-N 1 0 322.452 4.268 20 30 DIEDRO C=CC[N@@H+](Cc1cncc(-c2cc(F)ccc2OC)c1)C(C)C ZINC001615302619 1056489992 /nfs/dbraw/zinc/48/99/92/1056489992.db2.gz GUELKFRVETYOQC-UHFFFAOYSA-N 1 0 314.404 4.293 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc3occc3c2)CC[NH2+]CC1 ZINC001240425721 1056500992 /nfs/dbraw/zinc/50/09/92/1056500992.db2.gz YNJQPBIDNBCJOB-UHFFFAOYSA-N 1 0 302.377 4.245 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1)C(C)(C)C ZINC001168673162 1056504659 /nfs/dbraw/zinc/50/46/59/1056504659.db2.gz QRWTVYZXPIRWSU-SJLPKXTDSA-N 1 0 303.446 4.202 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC001615444579 1056510534 /nfs/dbraw/zinc/51/05/34/1056510534.db2.gz CPOZJPGTFBTBLY-NRFANRHFSA-N 1 0 304.437 4.207 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC001585225162 1056511458 /nfs/dbraw/zinc/51/14/58/1056511458.db2.gz SCCKMHHSVNNOHJ-MSOLQXFVSA-N 1 0 308.510 4.070 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)c2)s1 ZINC000765937256 1056516531 /nfs/dbraw/zinc/51/65/31/1056516531.db2.gz IIYDDMPKOVPGMM-PBHICJAKSA-N 1 0 321.449 4.459 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)cc1 ZINC001615500980 1056522173 /nfs/dbraw/zinc/52/21/73/1056522173.db2.gz YMRDZFLCKMWGNS-LJQANCHMSA-N 1 0 308.400 4.213 20 30 DIEDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001615520160 1056522837 /nfs/dbraw/zinc/52/28/37/1056522837.db2.gz QZNQBRALRFAAPM-INIZCTEOSA-N 1 0 321.262 4.331 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CCCCC1 ZINC001615504230 1056523947 /nfs/dbraw/zinc/52/39/47/1056523947.db2.gz CEEFRUDOOWMNJA-UHFFFAOYSA-N 1 0 318.417 4.172 20 30 DIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCc2ccc(C#N)cc2)c1 ZINC001615563862 1056537472 /nfs/dbraw/zinc/53/74/72/1056537472.db2.gz YPELFSOHTXZHNO-NRFANRHFSA-N 1 0 319.452 4.004 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cccnc2OCC)cc1 ZINC001240497595 1056537727 /nfs/dbraw/zinc/53/77/27/1056537727.db2.gz QBLIVTLBBFBBCI-LJQANCHMSA-N 1 0 308.425 4.470 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001615578454 1056539619 /nfs/dbraw/zinc/53/96/19/1056539619.db2.gz SXPTZUSNWOFGHI-HZPDHXFCSA-N 1 0 306.475 4.035 20 30 DIEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000111411457 1056576629 /nfs/dbraw/zinc/57/66/29/1056576629.db2.gz ISTDERHZXOMCOK-HRAATJIYSA-N 1 0 320.436 4.392 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(=O)NC)cc2)cc1 ZINC001240571231 1056582087 /nfs/dbraw/zinc/58/20/87/1056582087.db2.gz KRIOYDMSGPKVSD-HXUWFJFHSA-N 1 0 320.436 4.036 20 30 DIEDRO C=C(CC)C[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001616012560 1056605094 /nfs/dbraw/zinc/60/50/94/1056605094.db2.gz AZNNAYMHUZOODJ-MAUKXSAKSA-N 1 0 310.482 4.016 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC001616120833 1056613140 /nfs/dbraw/zinc/61/31/40/1056613140.db2.gz JMACQNGBVVDWJZ-FQEVSTJZSA-N 1 0 308.400 4.371 20 30 DIEDRO N#Cc1cccc(OCC[NH2+][C@H](c2ccccc2)C2CCC2)c1 ZINC001616302693 1056630172 /nfs/dbraw/zinc/63/01/72/1056630172.db2.gz XUKLUGJNEHVNOX-HXUWFJFHSA-N 1 0 306.409 4.068 20 30 DIEDRO N#Cc1ccnc(C[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC001616323329 1056635114 /nfs/dbraw/zinc/63/51/14/1056635114.db2.gz UIOLUIHFVCABJN-XPTLAUCJSA-N 1 0 317.436 4.411 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000112624660 1056642017 /nfs/dbraw/zinc/64/20/17/1056642017.db2.gz YMHNVGMHVRFIRV-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2csc(C#N)c2)C2CC2)ccc1F ZINC000921936133 1056648605 /nfs/dbraw/zinc/64/86/05/1056648605.db2.gz ARCKFZKDFLIXGU-QGZVFWFLSA-N 1 0 300.402 4.308 20 30 DIEDRO C#CC[N@H+](CC1CC1)[C@H](CC)c1ccc(Br)cc1 ZINC001616402028 1056650467 /nfs/dbraw/zinc/65/04/67/1056650467.db2.gz HNERKZCKJICIDA-MRXNPFEDSA-N 1 0 306.247 4.245 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Oc2ccccc2)c(F)c1)CC1CC1 ZINC001616403814 1056652426 /nfs/dbraw/zinc/65/24/26/1056652426.db2.gz VBLNMDGIHTWSPS-UHFFFAOYSA-N 1 0 309.384 4.463 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000076766585 1056653742 /nfs/dbraw/zinc/65/37/42/1056653742.db2.gz LCEYYKZEPUTLBX-UHFFFAOYSA-N 1 0 324.399 4.287 20 30 DIEDRO COC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000112985748 1056671421 /nfs/dbraw/zinc/67/14/21/1056671421.db2.gz OPULZZSBCRFXQU-GOSISDBHSA-N 1 0 320.436 4.084 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC001616569577 1056679576 /nfs/dbraw/zinc/67/95/76/1056679576.db2.gz MOBWNZYXQIMPNG-GOSISDBHSA-N 1 0 320.436 4.076 20 30 DIEDRO CC(C)Cc1ccc([C@@H]([NH2+]Cc2cc(C#N)ccn2)C2CC2)cc1 ZINC001616637549 1056692229 /nfs/dbraw/zinc/69/22/29/1056692229.db2.gz WHJGRUHGMRUXEU-OAQYLSRUSA-N 1 0 319.452 4.393 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC001616683082 1056699442 /nfs/dbraw/zinc/69/94/42/1056699442.db2.gz FISPBFRBHCZJFZ-INIZCTEOSA-N 1 0 312.457 4.269 20 30 DIEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001616762239 1056711049 /nfs/dbraw/zinc/71/10/49/1056711049.db2.gz BMVAJAJYKHMQPE-CYBMUJFWSA-N 1 0 309.837 4.420 20 30 DIEDRO C=CCCCC[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001616779449 1056715061 /nfs/dbraw/zinc/71/50/61/1056715061.db2.gz ZYIANNNXBCFOAK-KRWDZBQOSA-N 1 0 316.493 4.388 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000922001853 1056723738 /nfs/dbraw/zinc/72/37/38/1056723738.db2.gz SXUJPEINVFSPGH-FPOVZHCZSA-N 1 0 320.436 4.185 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000922001855 1056724288 /nfs/dbraw/zinc/72/42/88/1056724288.db2.gz SXUJPEINVFSPGH-PZJWPPBQSA-N 1 0 320.436 4.185 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1cccc2ccccc21 ZINC001616832094 1056726073 /nfs/dbraw/zinc/72/60/73/1056726073.db2.gz LKWPLQKSLIQSKI-INIZCTEOSA-N 1 0 316.404 4.441 20 30 DIEDRO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001616888525 1056732924 /nfs/dbraw/zinc/73/29/24/1056732924.db2.gz XWOPSCAGEMKHCJ-NRFANRHFSA-N 1 0 320.436 4.226 20 30 DIEDRO N#Cc1cc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cs1 ZINC000922018110 1056744262 /nfs/dbraw/zinc/74/42/62/1056744262.db2.gz HFPAIVKJWJPIHL-AWEZNQCLSA-N 1 0 310.344 4.055 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC001617088184 1056773120 /nfs/dbraw/zinc/77/31/20/1056773120.db2.gz HIXTUEPCWJDISO-UHFFFAOYSA-N 1 0 320.436 4.082 20 30 DIEDRO COc1ccccc1C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC001617104358 1056776592 /nfs/dbraw/zinc/77/65/92/1056776592.db2.gz TXSRADLSGZVHBL-JXFKEZNVSA-N 1 0 322.452 4.485 20 30 DIEDRO CCCCCCCCCC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001617311635 1056812587 /nfs/dbraw/zinc/81/25/87/1056812587.db2.gz SBRROIJYDPKHMJ-GBESFXJTSA-N 1 0 322.537 4.316 20 30 DIEDRO CC(C)C1(C)CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC001617367007 1056822237 /nfs/dbraw/zinc/82/22/37/1056822237.db2.gz OSCRLUCQJVJYCB-UHFFFAOYSA-N 1 0 300.446 4.085 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccccc1 ZINC000922145091 1056845612 /nfs/dbraw/zinc/84/56/12/1056845612.db2.gz LKDWMTDWTAYILH-MRXNPFEDSA-N 1 0 321.380 4.058 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1 ZINC000922144473 1056845660 /nfs/dbraw/zinc/84/56/60/1056845660.db2.gz DYHQWZAKBPUEFF-LJQANCHMSA-N 1 0 306.409 4.146 20 30 DIEDRO C=C(C)CCC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC001617539026 1056846180 /nfs/dbraw/zinc/84/61/80/1056846180.db2.gz BIFGCKYQYKACHF-KRWDZBQOSA-N 1 0 316.489 4.369 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC001617610679 1056858109 /nfs/dbraw/zinc/85/81/09/1056858109.db2.gz LCXQUZIXNRGHKC-VQIMIIECSA-N 1 0 320.436 4.253 20 30 DIEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCOc3cccc(C#N)c3)C2)cc1 ZINC001617610963 1056858397 /nfs/dbraw/zinc/85/83/97/1056858397.db2.gz NJORAWZUOLPWSD-FXAWDEMLSA-N 1 0 320.436 4.124 20 30 DIEDRO CCCCCCCCC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001617679612 1056867757 /nfs/dbraw/zinc/86/77/57/1056867757.db2.gz WMDVOWLHPCLNJS-BGYRXZFFSA-N 1 0 320.521 4.071 20 30 DIEDRO C[C@@H](C1CCCCC1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC001617678529 1056867850 /nfs/dbraw/zinc/86/78/50/1056867850.db2.gz CDXVYAVCLYICBW-INIZCTEOSA-N 1 0 300.446 4.228 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)[C@H](C)[C@@H]1OC ZINC001617735696 1056875937 /nfs/dbraw/zinc/87/59/37/1056875937.db2.gz SEQQGTIPIPUVMX-JFTQMJAMSA-N 1 0 300.446 4.049 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)[C@@H](C)[C@H]1OC ZINC001617735695 1056876334 /nfs/dbraw/zinc/87/63/34/1056876334.db2.gz SEQQGTIPIPUVMX-DTTOXWODSA-N 1 0 300.446 4.049 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC001617741967 1056876361 /nfs/dbraw/zinc/87/63/61/1056876361.db2.gz IMXMGVHGDYYHTK-HXUWFJFHSA-N 1 0 324.424 4.029 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2C#N)C1(C)C ZINC001617807603 1056886442 /nfs/dbraw/zinc/88/64/42/1056886442.db2.gz OYJHAJJWAIVATN-DLBZAZTESA-N 1 0 320.864 4.285 20 30 DIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282335353 1056908182 /nfs/dbraw/zinc/90/81/82/1056908182.db2.gz OLOBDCBQZHARDC-FAEJEUNOSA-N 1 0 322.456 4.161 20 30 DIEDRO C[N@H+](CCC1(C#N)CCCCC1)C[C@H]1OCCc2ccccc21 ZINC001618034694 1056917323 /nfs/dbraw/zinc/91/73/23/1056917323.db2.gz LZRJRDWOCDSFNA-LJQANCHMSA-N 1 0 312.457 4.096 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC001618048691 1056919053 /nfs/dbraw/zinc/91/90/53/1056919053.db2.gz SHRLRTAJFKPRJE-INIZCTEOSA-N 1 0 313.363 4.256 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001618070538 1056920868 /nfs/dbraw/zinc/92/08/68/1056920868.db2.gz QXWFWFNABWFEHL-HXUWFJFHSA-N 1 0 320.436 4.207 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001618195964 1056933110 /nfs/dbraw/zinc/93/31/10/1056933110.db2.gz GUENIHVHWGKFJK-WWMYMODYSA-N 1 0 307.412 4.444 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001618222864 1056936983 /nfs/dbraw/zinc/93/69/83/1056936983.db2.gz WAABJWZINLHDGH-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO COc1ccc(CC[N@H+](CCCCC#N)CC(C)(C)C)cc1 ZINC000115550173 1056939067 /nfs/dbraw/zinc/93/90/67/1056939067.db2.gz WYZGDOHCMOSFMD-UHFFFAOYSA-N 1 0 302.462 4.280 20 30 DIEDRO N#Cc1cc(-c2[nH+]ccc3c2ccn3Cc2ccccc2)ccn1 ZINC001241182206 1056950403 /nfs/dbraw/zinc/95/04/03/1056950403.db2.gz IVASGGGKWMEVMM-UHFFFAOYSA-N 1 0 310.360 4.018 20 30 DIEDRO C[C@H]1c2ccsc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000315264558 1056957588 /nfs/dbraw/zinc/95/75/88/1056957588.db2.gz DYOBHXBBWUKYDS-AWEZNQCLSA-N 1 0 312.438 4.008 20 30 DIEDRO CN(Cc1sccc1Br)Cc1ccc(C#N)cc1 ZINC000067963418 1056961637 /nfs/dbraw/zinc/96/16/37/1056961637.db2.gz DYHIQUHTXGJJRT-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO N#Cc1ccnc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC001168711997 1056970167 /nfs/dbraw/zinc/97/01/67/1056970167.db2.gz HGUZINAXJYXKQU-GOSISDBHSA-N 1 0 311.816 4.238 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(N(C)C)cc2C)cc1 ZINC001241250856 1056980652 /nfs/dbraw/zinc/98/06/52/1056980652.db2.gz BTSSOZRPBIZABL-FQEVSTJZSA-N 1 0 321.468 4.446 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(COC)cs1 ZINC000657496782 1056981492 /nfs/dbraw/zinc/98/14/92/1056981492.db2.gz RHFGDZQHALDIFT-QGZVFWFLSA-N 1 0 301.455 4.172 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000922326657 1057007366 /nfs/dbraw/zinc/00/73/66/1057007366.db2.gz SRBBNMFOZBGTIM-UHFFFAOYSA-N 1 0 300.427 4.087 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000318305418 1057016823 /nfs/dbraw/zinc/01/68/23/1057016823.db2.gz REMSTJGWPFVXSZ-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO COc1ccc([C@H]2CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc1 ZINC000118395879 1057018208 /nfs/dbraw/zinc/01/82/08/1057018208.db2.gz SGHOWRDPHDWRJH-BEFAXECRSA-N 1 0 306.409 4.117 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000555104307 1057027396 /nfs/dbraw/zinc/02/73/96/1057027396.db2.gz UZJGRQYTIZMDPK-QMMMGPOBSA-N 1 0 310.241 4.008 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000922542618 1057032415 /nfs/dbraw/zinc/03/24/15/1057032415.db2.gz WPEHVXPEMZOGHC-CQSZACIVSA-N 1 0 323.396 4.247 20 30 DIEDRO N#Cc1c[nH]c2nc(-c3ccc(C[NH+]4CCCCC4)cc3)ccc12 ZINC001241387481 1057034396 /nfs/dbraw/zinc/03/43/96/1057034396.db2.gz QDYSCGFTOVLSEX-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO O/N=C/c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC001241390325 1057036316 /nfs/dbraw/zinc/03/63/16/1057036316.db2.gz NMSTYKLISAECJA-FYJGNVAPSA-N 1 0 312.388 4.287 20 30 DIEDRO COc1cc(C#N)ccc1-c1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001241394792 1057037905 /nfs/dbraw/zinc/03/79/05/1057037905.db2.gz DILMCIPLGBTOQG-OAHLLOKOSA-N 1 0 321.424 4.003 20 30 DIEDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000389952113 1057039673 /nfs/dbraw/zinc/03/96/73/1057039673.db2.gz XNDBLWJAUKZSFJ-IRXDYDNUSA-N 1 0 308.425 4.204 20 30 DIEDRO COc1cc(C#N)ccc1-c1cc(C[NH+]2CCCC2)ccc1C ZINC001241409008 1057044571 /nfs/dbraw/zinc/04/45/71/1057044571.db2.gz ROZMLUULQCPQQN-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)OCCN3)cc1 ZINC001241466746 1057057218 /nfs/dbraw/zinc/05/72/18/1057057218.db2.gz OOYIDNHFIDZPIW-FQEVSTJZSA-N 1 0 320.436 4.481 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCSC4(CCC4)C3)cc2)CC1 ZINC000922840698 1057065863 /nfs/dbraw/zinc/06/58/63/1057065863.db2.gz QSDPDYCHISILAY-QGZVFWFLSA-N 1 0 312.482 4.150 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)cc1 ZINC000922841105 1057065906 /nfs/dbraw/zinc/06/59/06/1057065906.db2.gz XAYPBSXJBBTTFQ-QGZVFWFLSA-N 1 0 314.498 4.396 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)NCCO3)cc1 ZINC001241494445 1057068459 /nfs/dbraw/zinc/06/84/59/1057068459.db2.gz IUESRJTUJRSXLY-HXUWFJFHSA-N 1 0 320.436 4.481 20 30 DIEDRO N#Cc1c(F)cc(C2=CC[N@H+](Cc3ccccc3)CC2)cc1F ZINC001241504620 1057075069 /nfs/dbraw/zinc/07/50/69/1057075069.db2.gz WUVRURQGLKTBCV-UHFFFAOYSA-N 1 0 310.347 4.126 20 30 DIEDRO CC(C)(C#N)c1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cn1 ZINC001241504361 1057075870 /nfs/dbraw/zinc/07/58/70/1057075870.db2.gz FTFLXRTXOWSEFB-UHFFFAOYSA-N 1 0 317.436 4.172 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000361216367 1057076003 /nfs/dbraw/zinc/07/60/03/1057076003.db2.gz MVFVWVBFQHPETI-MRXNPFEDSA-N 1 0 322.905 4.117 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2csc(C#N)c2)C2CCC2)cc1 ZINC000922886696 1057085876 /nfs/dbraw/zinc/08/58/76/1057085876.db2.gz CSCAFNOZBXXBMC-GOSISDBHSA-N 1 0 312.438 4.259 20 30 DIEDRO CC(C)Sc1ccc(-c2ncc3c(c2C#N)CCC[NH2+]C3)cc1 ZINC001241609629 1057108124 /nfs/dbraw/zinc/10/81/24/1057108124.db2.gz FPIDQIBGCQTYBJ-UHFFFAOYSA-N 1 0 323.465 4.157 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1ccncc1 ZINC000766019508 1057110394 /nfs/dbraw/zinc/11/03/94/1057110394.db2.gz MDXFYZANEARTAS-KBXCAEBGSA-N 1 0 312.413 4.067 20 30 DIEDRO Cc1cc(C)c(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1C ZINC001241633390 1057115136 /nfs/dbraw/zinc/11/51/36/1057115136.db2.gz FIFQSGQTSCSZMT-UHFFFAOYSA-N 1 0 320.436 4.281 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)c1ccncc1 ZINC000766020481 1057118486 /nfs/dbraw/zinc/11/84/86/1057118486.db2.gz MWMFOWQVVCLBRY-UGSOOPFHSA-N 1 0 300.377 4.197 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1F)c1ccncc1 ZINC000766020479 1057118842 /nfs/dbraw/zinc/11/88/42/1057118842.db2.gz MWMFOWQVVCLBRY-FZKQIMNGSA-N 1 0 300.377 4.197 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](CC)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000766023001 1057121617 /nfs/dbraw/zinc/12/16/17/1057121617.db2.gz YYHLGRMIVSFLFM-RBUKOAKNSA-N 1 0 308.425 4.375 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](CC)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000766023000 1057121958 /nfs/dbraw/zinc/12/19/58/1057121958.db2.gz YYHLGRMIVSFLFM-OALUTQOASA-N 1 0 308.425 4.375 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cc(F)cc(C#N)c2)nc1 ZINC001241654943 1057123319 /nfs/dbraw/zinc/12/33/19/1057123319.db2.gz IOCLCAMMRJIBJY-CQSZACIVSA-N 1 0 309.388 4.134 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cc(F)cc(C#N)c2)ccc1OC ZINC001241660479 1057126887 /nfs/dbraw/zinc/12/68/87/1057126887.db2.gz SNHODXLNABJOQT-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(OC)ncc2F)cc1 ZINC001241665793 1057128072 /nfs/dbraw/zinc/12/80/72/1057128072.db2.gz MQMFEVCQCFAUNN-SFHVURJKSA-N 1 0 312.388 4.219 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1 ZINC001241735640 1057151342 /nfs/dbraw/zinc/15/13/42/1057151342.db2.gz VSLRPVQIMDLSTH-LJQANCHMSA-N 1 0 318.424 4.135 20 30 DIEDRO CC[NH+]1CCN(c2ccc(-c3ccc([C@H](C)C#N)cc3)cc2)CC1 ZINC001241744064 1057154115 /nfs/dbraw/zinc/15/41/15/1057154115.db2.gz MDVQORWWUXMPDC-QGZVFWFLSA-N 1 0 319.452 4.123 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1nc(-c2ccncc2)cs1 ZINC000347844876 1057157708 /nfs/dbraw/zinc/15/77/08/1057157708.db2.gz XVJNJTGXYFUHLF-CYBMUJFWSA-N 1 0 314.458 4.186 20 30 DIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1)C(C)C ZINC000132910847 1057160842 /nfs/dbraw/zinc/16/08/42/1057160842.db2.gz WFONYXCIVWTQJT-UHFFFAOYSA-N 1 0 321.424 4.041 20 30 DIEDRO N#CCOc1ccc(C[NH2+]C2CC(Sc3ccccc3)C2)cc1 ZINC000925366473 1057175691 /nfs/dbraw/zinc/17/56/91/1057175691.db2.gz FSOIKBBQASZFTN-UHFFFAOYSA-N 1 0 324.449 4.002 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000625700507 1057192393 /nfs/dbraw/zinc/19/23/93/1057192393.db2.gz JFEXRXBZDXPJSP-QGZVFWFLSA-N 1 0 308.425 4.059 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000625703116 1057192856 /nfs/dbraw/zinc/19/28/56/1057192856.db2.gz QJMURWLGFAJSDU-QGZVFWFLSA-N 1 0 308.425 4.059 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(Cl)s2)c1 ZINC000171246670 1057223365 /nfs/dbraw/zinc/22/33/65/1057223365.db2.gz NPTFIIWTUKCHBT-UHFFFAOYSA-N 1 0 320.845 4.374 20 30 DIEDRO CC(C)COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000171676169 1057237076 /nfs/dbraw/zinc/23/70/76/1057237076.db2.gz JRODAVHOHAGTRP-UHFFFAOYSA-N 1 0 312.388 4.022 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000658044939 1057241845 /nfs/dbraw/zinc/24/18/45/1057241845.db2.gz CUZOUOXJMWTMAT-AITUJVMLSA-N 1 0 300.446 4.026 20 30 DIEDRO N#Cc1c2c(cnc1-c1cccc(C[NH+]3CCCC3)c1)CCCC2 ZINC001242119024 1057268888 /nfs/dbraw/zinc/26/88/88/1057268888.db2.gz LLXDZBSBRXEBNK-UHFFFAOYSA-N 1 0 317.436 4.095 20 30 DIEDRO N#Cc1cc2cc(-c3cccc(C[NH+]4CCCC4)c3)ccc2[nH]1 ZINC001242121086 1057269825 /nfs/dbraw/zinc/26/98/25/1057269825.db2.gz DCMGQTISJSCQSS-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO CC[C@@H](C#N)c1ccc(-c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001242150237 1057280108 /nfs/dbraw/zinc/28/01/08/1057280108.db2.gz DGFRATOKJOHSKD-INIZCTEOSA-N 1 0 308.425 4.311 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000173205304 1057285122 /nfs/dbraw/zinc/28/51/22/1057285122.db2.gz ONULUTMGYJSADN-JKSUJKDBSA-N 1 0 316.408 4.156 20 30 DIEDRO C=C(C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000674877819 1057295071 /nfs/dbraw/zinc/29/50/71/1057295071.db2.gz AFCMNPVTIRRNRD-GHTZIAJQSA-N 1 0 306.453 4.125 20 30 DIEDRO C#Cc1ccc(-c2ccc(OC)cc2C[NH+]2CCCCC2)cc1 ZINC001242296637 1057325299 /nfs/dbraw/zinc/32/52/99/1057325299.db2.gz PALVAUJURQOAIX-UHFFFAOYSA-N 1 0 305.421 4.329 20 30 DIEDRO C#Cc1ccc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001242296443 1057325363 /nfs/dbraw/zinc/32/53/63/1057325363.db2.gz JPXCKCRNGJJCPS-SFTDATJTSA-N 1 0 305.421 4.121 20 30 DIEDRO COc1cccc(-c2ccc(C[N@@H+]3CCCC[C@H]3C)cn2)c1C#N ZINC001242298206 1057325776 /nfs/dbraw/zinc/32/57/76/1057325776.db2.gz HPZUYICFYASYKN-OAHLLOKOSA-N 1 0 321.424 4.003 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cccc(OC)c2C#N)ccc1F ZINC001242299397 1057326138 /nfs/dbraw/zinc/32/61/38/1057326138.db2.gz OUCHELCYGXZSOI-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CC1(C)CC(=O)C=C(c2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001242315768 1057331858 /nfs/dbraw/zinc/33/18/58/1057331858.db2.gz YWUMAWZXNXMPRY-UHFFFAOYSA-N 1 0 307.437 4.107 20 30 DIEDRO CC1(C)CC(=O)C=C(c2cccc3c2C2(CC3)CC[NH2+]CC2)C1 ZINC001242315623 1057332132 /nfs/dbraw/zinc/33/21/32/1057332132.db2.gz QMJSHMVSVWCGET-UHFFFAOYSA-N 1 0 309.453 4.027 20 30 DIEDRO CC1(C)CC(=O)C=C(c2ccc(C[NH+]3CCCC3)c(F)c2)C1 ZINC001242318050 1057332552 /nfs/dbraw/zinc/33/25/52/1057332552.db2.gz MWRTZZVMHGRTHX-UHFFFAOYSA-N 1 0 301.405 4.194 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(C2=CC(=O)CC(C)(C)C2)nc1 ZINC001242316654 1057332895 /nfs/dbraw/zinc/33/28/95/1057332895.db2.gz JTCMTKKTMZEOIZ-LJQANCHMSA-N 1 0 312.457 4.401 20 30 DIEDRO CC1(C)CC(=O)C=C(c2ccc(SC3CC[NH2+]CC3)cc2)C1 ZINC001242318052 1057332970 /nfs/dbraw/zinc/33/29/70/1057332970.db2.gz MYHFZLUQXDPOMG-UHFFFAOYSA-N 1 0 315.482 4.303 20 30 DIEDRO Cc1ccc(C[NH+]2CCCCC2)cc1-c1cnc(C#N)c(C)c1 ZINC001242357337 1057343343 /nfs/dbraw/zinc/34/33/43/1057343343.db2.gz QTTFQPLRWJDLEH-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000173858176 1057344661 /nfs/dbraw/zinc/34/46/61/1057344661.db2.gz VBHDZHRFHWKEAV-OAHLLOKOSA-N 1 0 312.388 4.207 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000766111754 1057346299 /nfs/dbraw/zinc/34/62/99/1057346299.db2.gz ZCVSTXSHIGQGQA-ROUUACIJSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000766111757 1057346665 /nfs/dbraw/zinc/34/66/65/1057346665.db2.gz ZCVSTXSHIGQGQA-ZWKOTPCHSA-N 1 0 308.510 4.070 20 30 DIEDRO C[C@H]([NH2+]CCCCOCCc1ccccc1)c1ccc(C#N)cc1 ZINC000173966459 1057346712 /nfs/dbraw/zinc/34/67/12/1057346712.db2.gz JMLXKZKIZLKLLT-SFHVURJKSA-N 1 0 322.452 4.248 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000245948565 1057349781 /nfs/dbraw/zinc/34/97/81/1057349781.db2.gz WDAZUMWUAROFIM-BEVDRBHNSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(C#N)cc1 ZINC000174110525 1057350570 /nfs/dbraw/zinc/35/05/70/1057350570.db2.gz AQAFGQCLLLDDSE-HNNXBMFYSA-N 1 0 306.409 4.340 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(C)c(CO)c2)cc1 ZINC001242388171 1057357390 /nfs/dbraw/zinc/35/73/90/1057357390.db2.gz LJKGNRLVHMBRES-OAQYLSRUSA-N 1 0 307.437 4.477 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccs3)CCCCC2)o1 ZINC000174419400 1057360587 /nfs/dbraw/zinc/36/05/87/1057360587.db2.gz JRPRJZUOPLHVBF-UHFFFAOYSA-N 1 0 300.427 4.204 20 30 DIEDRO CC(C)COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000174430708 1057361523 /nfs/dbraw/zinc/36/15/23/1057361523.db2.gz PTRNNMBUXCKCHL-MRXNPFEDSA-N 1 0 308.425 4.444 20 30 DIEDRO Cc1cc(C#N)ccc1-c1cccc2c1C1(CC2)CC[NH2+]CC1 ZINC001242472666 1057376380 /nfs/dbraw/zinc/37/63/80/1057376380.db2.gz GSVCMPHVWVQSSP-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO Cc1cc(C#N)ccc1-c1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001242472391 1057376432 /nfs/dbraw/zinc/37/64/32/1057376432.db2.gz YENMTTYBUUXIBO-MRXNPFEDSA-N 1 0 305.425 4.303 20 30 DIEDRO Cc1cc(C#N)ccc1-c1ccccc1CO[C@H]1CCCC[C@@H]1[NH3+] ZINC001242477216 1057378340 /nfs/dbraw/zinc/37/83/40/1057378340.db2.gz ZIGFBXDRDQYPSY-SFTDATJTSA-N 1 0 320.436 4.320 20 30 DIEDRO Cc1cc(C#N)cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)c1 ZINC001242477907 1057378432 /nfs/dbraw/zinc/37/84/32/1057378432.db2.gz QUSKIKPWVKQPPW-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO Cc1ccc(C#N)cc1-c1ccc2c(c1)CCC21CC[NH2+]CC1 ZINC001242541844 1057399485 /nfs/dbraw/zinc/39/94/85/1057399485.db2.gz PSVBICZKNSHNOS-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1cc(C#N)ccc1C ZINC001242544578 1057399785 /nfs/dbraw/zinc/39/97/85/1057399785.db2.gz PTUYTGXSLJIOML-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO Cc1ccc(C#N)cc1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001242545164 1057400003 /nfs/dbraw/zinc/40/00/03/1057400003.db2.gz ZTRCEMWYGMVPOY-UHFFFAOYSA-N 1 0 308.450 4.378 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2ccc([C@H]3CCC[NH2+]3)c(F)c2)c1 ZINC001242570489 1057409185 /nfs/dbraw/zinc/40/91/85/1057409185.db2.gz NDTATSMLAREQPB-QGZVFWFLSA-N 1 0 300.764 4.442 20 30 DIEDRO C[N@@H+]1CCc2c(F)cc(-c3cc(Cl)cc(C#N)c3)cc2C1 ZINC001242571466 1057409355 /nfs/dbraw/zinc/40/93/55/1057409355.db2.gz QWRPYNCMTTUSEC-UHFFFAOYSA-N 1 0 300.764 4.006 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000675783353 1057413950 /nfs/dbraw/zinc/41/39/50/1057413950.db2.gz GVEMQASCRVRMEU-HNNXBMFYSA-N 1 0 320.436 4.280 20 30 DIEDRO COc1ccc(-c2ccc(F)cc2C#N)c(C[NH+]2CCCCC2)c1 ZINC001242584288 1057414747 /nfs/dbraw/zinc/41/47/47/1057414747.db2.gz JKXPWFWXUJOLHR-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO Cc1ccc(-c2ccc(SC3CC[NH2+]CC3)cc2)c(C#N)c1 ZINC001242594080 1057418078 /nfs/dbraw/zinc/41/80/78/1057418078.db2.gz AVNUARSPCBUGQU-UHFFFAOYSA-N 1 0 308.450 4.378 20 30 DIEDRO COc1ccc(-c2ccc(C)cc2C#N)cc1C[NH+]1CCCC1 ZINC001242594898 1057418133 /nfs/dbraw/zinc/41/81/33/1057418133.db2.gz XJEXJLAWJLGTHR-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000675933528 1057434870 /nfs/dbraw/zinc/43/48/70/1057434870.db2.gz FXGCQEPANDGRSY-SWLSCSKDSA-N 1 0 314.454 4.360 20 30 DIEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242671954 1057442663 /nfs/dbraw/zinc/44/26/63/1057442663.db2.gz PHDZSKXMBQTVMY-UHFFFAOYSA-N 1 0 315.351 4.030 20 30 DIEDRO N#CCc1cc2ccccc2nc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242689128 1057447939 /nfs/dbraw/zinc/44/79/39/1057447939.db2.gz IGYALPVIMUWRSD-IBGZPJMESA-N 1 0 317.436 4.333 20 30 DIEDRO COc1ccc(-c2ccccc2C#N)cc1C[NH+]1CCCCC1 ZINC001242717277 1057457722 /nfs/dbraw/zinc/45/77/22/1057457722.db2.gz PQMQKXKBKJMMDP-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO N#Cc1ccccc1-c1ccccc1CO[C@H]1CCCC[C@@H]1[NH3+] ZINC001242716978 1057457879 /nfs/dbraw/zinc/45/78/79/1057457879.db2.gz MGIXDRBYFSTJNG-PMACEKPBSA-N 1 0 306.409 4.012 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1C1=CC(=O)C[C@H](C)C1 ZINC001242742143 1057465530 /nfs/dbraw/zinc/46/55/30/1057465530.db2.gz KBLQFRRNVKZWFS-OAHLLOKOSA-N 1 0 313.441 4.064 20 30 DIEDRO Cc1cc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)ccc1C#N ZINC001242768019 1057468837 /nfs/dbraw/zinc/46/88/37/1057468837.db2.gz PLWZNXBWKPTPSO-NHCUHLMSSA-N 1 0 320.436 4.320 20 30 DIEDRO Cc1cc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)ccc1C#N ZINC001242767800 1057468847 /nfs/dbraw/zinc/46/88/47/1057468847.db2.gz FTBJSJAGBQETRW-UHFFFAOYSA-N 1 0 300.405 4.182 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccccc1 ZINC000676421228 1057471648 /nfs/dbraw/zinc/47/16/48/1057471648.db2.gz FSDBHBWDRARDRP-GOSISDBHSA-N 1 0 305.425 4.370 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cncc(C#CC)c2)cc1 ZINC001242943258 1057525263 /nfs/dbraw/zinc/52/52/63/1057525263.db2.gz XYBAUNXPGCPJIZ-NRFANRHFSA-N 1 0 302.421 4.443 20 30 DIEDRO CSc1ccccc1-c1ccc(OC2CC[NH2+]CC2)c(C#N)c1 ZINC001242945074 1057525888 /nfs/dbraw/zinc/52/58/88/1057525888.db2.gz FLXNOYFIJINESF-UHFFFAOYSA-N 1 0 324.449 4.078 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2c(C)cccc2C)CCCCC1 ZINC000625935841 1057539720 /nfs/dbraw/zinc/53/97/20/1057539720.db2.gz PHTBSMLLRHMBRT-UHFFFAOYSA-N 1 0 300.446 4.111 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)ccn1 ZINC000611039102 1057580653 /nfs/dbraw/zinc/58/06/53/1057580653.db2.gz LPOKZGSCUVMDQZ-NRFANRHFSA-N 1 0 319.452 4.331 20 30 DIEDRO Cc1noc(C)c1[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611255156 1057587373 /nfs/dbraw/zinc/58/73/73/1057587373.db2.gz OEXJCZGUFRRWBS-KLOIUYPJSA-N 1 0 323.440 4.346 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000611268858 1057587384 /nfs/dbraw/zinc/58/73/84/1057587384.db2.gz CRWJQVIASHWCQR-UHFFFAOYSA-N 1 0 318.392 4.278 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)o1 ZINC000611259286 1057587779 /nfs/dbraw/zinc/58/77/79/1057587779.db2.gz USPFKCLZUVZBSK-HNNXBMFYSA-N 1 0 305.381 4.012 20 30 DIEDRO C[C@H]([NH2+]CCc1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000611386249 1057594282 /nfs/dbraw/zinc/59/42/82/1057594282.db2.gz GVTMIBUEOLKIBJ-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO COCc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccc1F ZINC000611392987 1057595408 /nfs/dbraw/zinc/59/54/08/1057595408.db2.gz ARTYAIJHJSOZEI-HXUWFJFHSA-N 1 0 324.399 4.011 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)ccn1 ZINC000611391517 1057595433 /nfs/dbraw/zinc/59/54/33/1057595433.db2.gz KIHQOUVVCQSWRN-GOSISDBHSA-N 1 0 311.816 4.238 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2ccccc2n1 ZINC000611391669 1057595642 /nfs/dbraw/zinc/59/56/42/1057595642.db2.gz RYEMXHNHFBARRJ-OAQYLSRUSA-N 1 0 313.404 4.274 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2ccccc2n1 ZINC000611391668 1057595658 /nfs/dbraw/zinc/59/56/58/1057595658.db2.gz RYEMXHNHFBARRJ-NRFANRHFSA-N 1 0 313.404 4.274 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cc(F)cc(F)c1 ZINC000611392113 1057595665 /nfs/dbraw/zinc/59/56/65/1057595665.db2.gz GPGWKEXDFIRUOV-IBGZPJMESA-N 1 0 312.363 4.046 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000611393065 1057595682 /nfs/dbraw/zinc/59/56/82/1057595682.db2.gz GVYYIQYHDJRBKD-VBKZILBWSA-N 1 0 308.425 4.448 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCNc1ccccc1 ZINC000611392996 1057595721 /nfs/dbraw/zinc/59/57/21/1057595721.db2.gz BYCUKHSNUTVDHJ-FQEVSTJZSA-N 1 0 305.425 4.027 20 30 DIEDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394489 1057595987 /nfs/dbraw/zinc/59/59/87/1057595987.db2.gz MUDQKTHGIZYFNB-HXUWFJFHSA-N 1 0 306.409 4.043 20 30 DIEDRO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1ccnc(C#N)c1)C(C)C ZINC000611394127 1057596069 /nfs/dbraw/zinc/59/60/69/1057596069.db2.gz KRJHBVCHJLMEMY-LJQANCHMSA-N 1 0 319.408 4.495 20 30 DIEDRO CCc1cnccc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611395092 1057596100 /nfs/dbraw/zinc/59/61/00/1057596100.db2.gz LGHWDWNSCPYXNM-VLIAUNLRSA-N 1 0 305.425 4.244 20 30 DIEDRO COc1cc(C)cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394488 1057596116 /nfs/dbraw/zinc/59/61/16/1057596116.db2.gz MUDQKTHGIZYFNB-FQEVSTJZSA-N 1 0 306.409 4.043 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1c(C)noc1C ZINC000611394374 1057596180 /nfs/dbraw/zinc/59/61/80/1057596180.db2.gz GBLSTHAIMQNUMU-ROUUACIJSA-N 1 0 309.413 4.281 20 30 DIEDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611394076 1057596551 /nfs/dbraw/zinc/59/65/51/1057596551.db2.gz DKNSAJNKQWPXRA-VQTJNVASSA-N 1 0 318.420 4.276 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Cc1cccs1 ZINC000611393544 1057596713 /nfs/dbraw/zinc/59/67/13/1057596713.db2.gz VYRWASGFUKXJGE-LIRRHRJNSA-N 1 0 310.466 4.466 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000611395137 1057596740 /nfs/dbraw/zinc/59/67/40/1057596740.db2.gz LRBXTTTXGWEODQ-QRQLOZEOSA-N 1 0 312.457 4.119 20 30 DIEDRO CCOc1cccc(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394700 1057597332 /nfs/dbraw/zinc/59/73/32/1057597332.db2.gz XFYBJFNDCVKWGN-OAQYLSRUSA-N 1 0 320.436 4.167 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)c(C)c2)cc1 ZINC001243193199 1057599221 /nfs/dbraw/zinc/59/92/21/1057599221.db2.gz OASZFTUSHZKIIV-OAQYLSRUSA-N 1 0 307.437 4.477 20 30 DIEDRO CC(C)OC1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000611465902 1057601029 /nfs/dbraw/zinc/60/10/29/1057601029.db2.gz GHEKSKDUNVIEGK-IGEOTXOUSA-N 1 0 304.409 4.084 20 30 DIEDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000611477481 1057603190 /nfs/dbraw/zinc/60/31/90/1057603190.db2.gz RGQYWEWJWBGZLV-NSHGMRRFSA-N 1 0 312.457 4.119 20 30 DIEDRO CCC[N@@H+]1Cc2cccc(N=Cc3cc(OCC)ccc3O)c2C1 ZINC000727265629 1057645051 /nfs/dbraw/zinc/64/50/51/1057645051.db2.gz VUJOCROVSAMVRA-UHFFFAOYSA-N 1 0 324.424 4.267 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000165894317 1057658494 /nfs/dbraw/zinc/65/84/94/1057658494.db2.gz AUZMXLWLLXHNDJ-LLVKDONJSA-N 1 0 305.219 4.052 20 30 DIEDRO CC(=[NH+]NC1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000727652367 1057662294 /nfs/dbraw/zinc/66/22/94/1057662294.db2.gz OGLHVJJEZRBQHN-UHFFFAOYSA-N 1 0 303.425 4.072 20 30 DIEDRO CCCCCCCCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000727735564 1057667406 /nfs/dbraw/zinc/66/74/06/1057667406.db2.gz ZGPJJCLXCZBVCR-GOSISDBHSA-N 1 0 308.510 4.214 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000727806423 1057675678 /nfs/dbraw/zinc/67/56/78/1057675678.db2.gz XSIOODFDRGXJCM-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO N#CC1(c2ccc(-c3ccc([C@H]4CCC[NH2+]C4)cc3)cc2)CC1 ZINC001243421898 1057679102 /nfs/dbraw/zinc/67/91/02/1057679102.db2.gz ARVAIASLDKQDNU-IBGZPJMESA-N 1 0 302.421 4.376 20 30 DIEDRO C=CCc1cc(OCC)cc(C[NH+]2Cc3ccccc3C2)c1O ZINC000729984679 1057699733 /nfs/dbraw/zinc/69/97/33/1057699733.db2.gz RFSISCHPVRPNNR-UHFFFAOYSA-N 1 0 309.409 4.035 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000730064284 1057702169 /nfs/dbraw/zinc/70/21/69/1057702169.db2.gz PCSMQIBRVLQCDP-UHFFFAOYSA-N 1 0 323.440 4.002 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000730109623 1057703351 /nfs/dbraw/zinc/70/33/51/1057703351.db2.gz UQRFGPAWKCSELN-FOIQADDNSA-N 1 0 306.409 4.063 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccccc2OCC#N)ccc1OC ZINC001243587248 1057725333 /nfs/dbraw/zinc/72/53/33/1057725333.db2.gz TZCLUDLBZIQIKN-UHFFFAOYSA-N 1 0 324.424 4.106 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(OCC#N)cc2)ccc1F ZINC001243591502 1057726600 /nfs/dbraw/zinc/72/66/00/1057726600.db2.gz HZSSZIXINVNAHD-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000731211991 1057737516 /nfs/dbraw/zinc/73/75/16/1057737516.db2.gz MNTFNDBSSCEHGY-MRXNPFEDSA-N 1 0 306.409 4.315 20 30 DIEDRO C[N@H+](CCCCc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731211266 1057737820 /nfs/dbraw/zinc/73/78/20/1057737820.db2.gz DHRIXEKTIRWGJI-UHFFFAOYSA-N 1 0 308.425 4.044 20 30 DIEDRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccc(OCC#N)cc2)c(C)c1 ZINC000731211633 1057737873 /nfs/dbraw/zinc/73/78/73/1057737873.db2.gz RROZFCONSJHZAC-QGZVFWFLSA-N 1 0 308.425 4.399 20 30 DIEDRO N#CCOc1ccc(C[N@@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC000731212222 1057737920 /nfs/dbraw/zinc/73/79/20/1057737920.db2.gz ZTNWCCSWIWJHLA-UHFFFAOYSA-N 1 0 320.436 4.391 20 30 DIEDRO CC(C)C[N@H+](CCc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731211765 1057738409 /nfs/dbraw/zinc/73/84/09/1057738409.db2.gz AEGHPHLKHYLFFR-UHFFFAOYSA-N 1 0 322.452 4.290 20 30 DIEDRO COc1cc(-c2ccc(C3CC[NH+](C)CC3)cc2)cc(F)c1C#N ZINC001243653825 1057744151 /nfs/dbraw/zinc/74/41/51/1057744151.db2.gz BGEFPSXBPFLALY-UHFFFAOYSA-N 1 0 324.399 4.182 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(OC)cc2C#N)nc1 ZINC001243726718 1057763988 /nfs/dbraw/zinc/76/39/88/1057763988.db2.gz LURCLQQYKONJGA-FQEVSTJZSA-N 1 0 321.424 4.176 20 30 DIEDRO C[NH+](C)CCOc1cccc(-c2ccc(C3(C#N)CCC3)cc2)c1 ZINC001243748350 1057769402 /nfs/dbraw/zinc/76/94/02/1057769402.db2.gz OQAFZSHNBZCANI-UHFFFAOYSA-N 1 0 320.436 4.239 20 30 DIEDRO CC[C@@H](C#N)c1ccc(-c2cccc(OCC[NH+](C)C)c2)cc1 ZINC001243752288 1057770980 /nfs/dbraw/zinc/77/09/80/1057770980.db2.gz QGQOULQUCFDVTP-INIZCTEOSA-N 1 0 308.425 4.311 20 30 DIEDRO N#Cc1nc(NCCCCCCC[NH+]2CCCC2)ccc1Cl ZINC000732567328 1057779155 /nfs/dbraw/zinc/77/91/55/1057779155.db2.gz IUYCKWZEXJPNCF-UHFFFAOYSA-N 1 0 320.868 4.065 20 30 DIEDRO N#C[C@H]1CC=C(c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001243792546 1057780904 /nfs/dbraw/zinc/78/09/04/1057780904.db2.gz INHMYUZEMCRECX-YSSFQJQWSA-N 1 0 310.441 4.180 20 30 DIEDRO N#C[C@H]1CC=C(c2ccc3ncn([C@@H]4CCC[NH2+]CC4)c3c2)CC1 ZINC001243796689 1057781407 /nfs/dbraw/zinc/78/14/07/1057781407.db2.gz KFHNSSQULYEMIN-MAUKXSAKSA-N 1 0 320.440 4.058 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccccc2C)C2CC2)cc1 ZINC000733326597 1057812778 /nfs/dbraw/zinc/81/27/78/1057812778.db2.gz NVSCCGONRXVCAI-OAQYLSRUSA-N 1 0 305.421 4.248 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1 ZINC000733324745 1057812859 /nfs/dbraw/zinc/81/28/59/1057812859.db2.gz ADXWYALKHWNHCG-LJQANCHMSA-N 1 0 323.436 4.403 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000733325046 1057813113 /nfs/dbraw/zinc/81/31/13/1057813113.db2.gz UHRKKSCDASGACC-HNAYVOBHSA-N 1 0 309.409 4.095 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](CCC)c2ccccn2)cc1 ZINC000733326839 1057813241 /nfs/dbraw/zinc/81/32/41/1057813241.db2.gz FFCSBVOXZGIGLM-LJQANCHMSA-N 1 0 308.425 4.115 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000733327242 1057813815 /nfs/dbraw/zinc/81/38/15/1057813815.db2.gz QKOZMBMLHFIHLK-NRFANRHFSA-N 1 0 323.411 4.469 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](CC)Cc2ccccc2)cc1 ZINC000733327197 1057814056 /nfs/dbraw/zinc/81/40/56/1057814056.db2.gz PLZFBSNKXFYXTM-FQEVSTJZSA-N 1 0 307.437 4.200 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)cc1 ZINC000733328204 1057814086 /nfs/dbraw/zinc/81/40/86/1057814086.db2.gz KTFWNWPIFALFKQ-OAQYLSRUSA-N 1 0 305.421 4.174 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc3nccnc3c2)cc1 ZINC001244043082 1057846692 /nfs/dbraw/zinc/84/66/92/1057846692.db2.gz LJMJUKBVBMLOSC-LJQANCHMSA-N 1 0 316.408 4.015 20 30 DIEDRO N#CC1(c2cccc(-c3ccc([C@@H]4CCC[NH2+]4)c(F)c3)c2)CC1 ZINC001244077280 1057860677 /nfs/dbraw/zinc/86/06/77/1057860677.db2.gz YWFFFLUSLMVJAG-IBGZPJMESA-N 1 0 306.384 4.472 20 30 DIEDRO N#Cc1ccc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)c(Cl)c1 ZINC001244327060 1057934267 /nfs/dbraw/zinc/93/42/67/1057934267.db2.gz HXYMHRINLBQNPL-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(OC)c(C#N)c2)ccc1OC ZINC001244710197 1058032413 /nfs/dbraw/zinc/03/24/13/1058032413.db2.gz CIHUKMSNAYWBSW-UHFFFAOYSA-N 1 0 324.424 4.084 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(OC)c(C#N)c2)nc1 ZINC001244708566 1058032673 /nfs/dbraw/zinc/03/26/73/1058032673.db2.gz WVHJMFPAWJORTD-LJQANCHMSA-N 1 0 321.424 4.176 20 30 DIEDRO Cc1c(C#N)cccc1-c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001244815883 1058051978 /nfs/dbraw/zinc/05/19/78/1058051978.db2.gz UAPXVTIEKWEGOV-UHFFFAOYSA-N 1 0 300.405 4.182 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2ccccc2C2(C#N)CCC2)c1F ZINC001244866206 1058060935 /nfs/dbraw/zinc/06/09/35/1058060935.db2.gz JUJMWFGWLUUYIM-UHFFFAOYSA-N 1 0 308.400 4.500 20 30 DIEDRO CCOc1ccc(C)c(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001244875023 1058062344 /nfs/dbraw/zinc/06/23/44/1058062344.db2.gz VNGPVQIBZCRURB-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)cc2F)cc1 ZINC001244914999 1058070711 /nfs/dbraw/zinc/07/07/11/1058070711.db2.gz MNTQYKGVRJQWAG-FQEVSTJZSA-N 1 0 311.400 4.308 20 30 DIEDRO CCc1cc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)ccc1C#N ZINC001244954164 1058079920 /nfs/dbraw/zinc/07/99/20/1058079920.db2.gz KTZKUTXRICETPI-UHFFFAOYSA-N 1 0 317.436 4.373 20 30 DIEDRO CCc1cc(-c2cncc(C[NH+]3CCCCC3)c2)ccc1C#N ZINC001244954732 1058080395 /nfs/dbraw/zinc/08/03/95/1058080395.db2.gz CIHMFVNAKVHIHI-UHFFFAOYSA-N 1 0 305.425 4.169 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cccc(O)c2OC)cc1 ZINC001244993683 1058088696 /nfs/dbraw/zinc/08/86/96/1058088696.db2.gz WDSUJLBPDQEQDA-SFHVURJKSA-N 1 0 309.409 4.391 20 30 DIEDRO Cc1cc(Cl)ccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001245086223 1058109770 /nfs/dbraw/zinc/10/97/70/1058109770.db2.gz CAYLSQULZQJPQO-UHFFFAOYSA-N 1 0 310.828 4.460 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2cccc3[nH]c(C#N)cc32)cc1 ZINC001245339470 1058146950 /nfs/dbraw/zinc/14/69/50/1058146950.db2.gz VSFMCTDPFRTFQR-UHFFFAOYSA-N 1 0 319.408 4.037 20 30 DIEDRO N#Cc1cnc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc1C(F)(F)F ZINC001245347122 1058149068 /nfs/dbraw/zinc/14/90/68/1058149068.db2.gz RVILHQBRRPSQGZ-OAHLLOKOSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)nc(C(F)(F)F)c1 ZINC001245348486 1058149777 /nfs/dbraw/zinc/14/97/77/1058149777.db2.gz XSDVHGYONAYFEO-CQSZACIVSA-N 1 0 317.314 4.064 20 30 DIEDRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc(C#N)cc3)cc12 ZINC001245496421 1058183916 /nfs/dbraw/zinc/18/39/16/1058183916.db2.gz VWASXWIXCJMJGM-LJQANCHMSA-N 1 0 315.420 4.343 20 30 DIEDRO COc1ccc(-c2ccc(C#N)cc2)c(C[NH+]2CCCCC2)c1 ZINC001245497343 1058185198 /nfs/dbraw/zinc/18/51/98/1058185198.db2.gz BHXZGVQVPSIYKF-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO N#Cc1cc2ccccc2nc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245523893 1058198331 /nfs/dbraw/zinc/19/83/31/1058198331.db2.gz PZMMVUDHQTXJLC-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO N#Cc1cnc(-c2ccc(C3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001245523041 1058198348 /nfs/dbraw/zinc/19/83/48/1058198348.db2.gz IBNGSKKRXZQUFA-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO N#Cc1c[nH]c2ccc(-c3ccc(C4CC[NH2+]CC4)cc3)cc12 ZINC001245526923 1058202912 /nfs/dbraw/zinc/20/29/12/1058202912.db2.gz QLATYNHWRIAYQE-UHFFFAOYSA-N 1 0 301.393 4.174 20 30 DIEDRO N#Cc1c(-c2ccc(C3CC[NH2+]CC3)cc2)ccc2ncccc12 ZINC001245527236 1058205144 /nfs/dbraw/zinc/20/51/44/1058205144.db2.gz RUSOMCQHFBLOCF-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO C=C[C@@H](OC(=O)c1ccc(C[NH+](CC)CC)o1)c1ccccc1 ZINC001528623056 1058470186 /nfs/dbraw/zinc/47/01/86/1058470186.db2.gz AUGZTCWLZXOVBO-QGZVFWFLSA-N 1 0 313.397 4.206 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2cc(C#C[Si](C)(C)C)ccn2)cc1 ZINC001245907541 1058609887 /nfs/dbraw/zinc/60/98/87/1058609887.db2.gz UGPAAUFBYVNVHG-UHFFFAOYSA-N 1 0 308.501 4.171 20 30 DIEDRO CCCCCCCC(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001556669671 1058626011 /nfs/dbraw/zinc/62/60/11/1058626011.db2.gz OFBWOXNKZZPLIW-UHFFFAOYSA-N 1 0 310.526 4.173 20 30 DIEDRO CCCCCCCC[C@@H](O)CNc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001245964463 1058647983 /nfs/dbraw/zinc/64/79/83/1058647983.db2.gz ATDHFZFUPFFHFF-AZUAARDMSA-N 1 0 318.505 4.287 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCCNc2ccccc21 ZINC001246011292 1058656194 /nfs/dbraw/zinc/65/61/94/1058656194.db2.gz QUTWDCZGLZFXRE-XLIONFOSSA-N 1 0 316.489 4.411 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC001246011288 1058656759 /nfs/dbraw/zinc/65/67/59/1058656759.db2.gz QUTWDCZGLZFXRE-FXAWDEMLSA-N 1 0 316.489 4.411 20 30 DIEDRO C=C(CC)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001557148947 1058705352 /nfs/dbraw/zinc/70/53/52/1058705352.db2.gz OLSHYIYARJCYMH-UHFFFAOYSA-N 1 0 318.486 4.169 20 30 DIEDRO CCCCCCCCCC[NH2+][C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246212321 1058745517 /nfs/dbraw/zinc/74/55/17/1058745517.db2.gz NOEMZBOTMLALBW-HUUCEWRRSA-N 1 0 308.432 4.400 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246235504 1058755989 /nfs/dbraw/zinc/75/59/89/1058755989.db2.gz ZMYQUVLQYSLLNX-MJGOQNOKSA-N 1 0 306.469 4.487 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246235502 1058757875 /nfs/dbraw/zinc/75/78/75/1058757875.db2.gz ZMYQUVLQYSLLNX-IEBWSBKVSA-N 1 0 306.469 4.487 20 30 DIEDRO CCCCCCCCCC[NH+]1CC2(CCN2C(=O)NC(C)C)C1 ZINC001278442401 1058817564 /nfs/dbraw/zinc/81/75/64/1058817564.db2.gz UYPYRKPVZPROIG-UHFFFAOYSA-N 1 0 323.525 4.005 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001557975389 1058823683 /nfs/dbraw/zinc/82/36/83/1058823683.db2.gz CGHMPHATPLZFBL-DBBWNDPISA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316676 1058824703 /nfs/dbraw/zinc/82/47/03/1058824703.db2.gz JFYGCZGAEJXLDM-FJIDUMEYSA-N 1 0 316.489 4.211 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246337351 1058847099 /nfs/dbraw/zinc/84/70/99/1058847099.db2.gz RWIVZPUMSLIBBQ-VQIMIIECSA-N 1 0 316.395 4.214 20 30 DIEDRO CCCCCCCCC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC001530061218 1058925135 /nfs/dbraw/zinc/92/51/35/1058925135.db2.gz QZKFJIHRPPSEQB-GOSISDBHSA-N 1 0 316.489 4.257 20 30 DIEDRO CC(C)[C@@H](CNc1cccc(F)c1C#N)[NH+]1CCCCCC1 ZINC001559062494 1058957804 /nfs/dbraw/zinc/95/78/04/1058957804.db2.gz ZRPBZYJSTHNQGC-GOSISDBHSA-N 1 0 303.425 4.010 20 30 DIEDRO CNc1cccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001246505710 1058978412 /nfs/dbraw/zinc/97/84/12/1058978412.db2.gz PIUQIZBMGBWYGL-UHFFFAOYSA-N 1 0 319.452 4.416 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC2(CNc3ccc(Cl)cc32)CC1 ZINC001246598418 1059021198 /nfs/dbraw/zinc/02/11/98/1059021198.db2.gz ABUOYOMYOOIAHZ-CQSZACIVSA-N 1 0 304.865 4.454 20 30 DIEDRO CCCCCCC[N@H+](C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246781095 1059078001 /nfs/dbraw/zinc/07/80/01/1059078001.db2.gz XJUQOHBIARQTQZ-PMACEKPBSA-N 1 0 302.506 4.252 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246868651 1059142434 /nfs/dbraw/zinc/14/24/34/1059142434.db2.gz CONIMIAPBPWGMV-MJGOQNOKSA-N 1 0 304.453 4.215 20 30 DIEDRO CCCCCCCCCCC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC001530893367 1059177641 /nfs/dbraw/zinc/17/76/41/1059177641.db2.gz XRUNSTYHUDQKMT-KZNAEPCWSA-N 1 0 310.526 4.457 20 30 DIEDRO CCC[N@H+](CCCc1ccccc1OC)Cc1ccc(C#N)cc1 ZINC001559484552 1059257298 /nfs/dbraw/zinc/25/72/98/1059257298.db2.gz YVZKTCWGZCPLGX-UHFFFAOYSA-N 1 0 322.452 4.412 20 30 DIEDRO C#CC[N@@H+](C[C@H](OC)C1CCCCC1)[C@@H]1CCc2ccccc21 ZINC001559499208 1059285060 /nfs/dbraw/zinc/28/50/60/1059285060.db2.gz LTWFDHGXPKSIFM-RTWAWAEBSA-N 1 0 311.469 4.204 20 30 DIEDRO CC(C)[N@H+](CC#Cc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC001559507836 1059297426 /nfs/dbraw/zinc/29/74/26/1059297426.db2.gz ZBBTWGPZADLWSU-UHFFFAOYSA-N 1 0 322.839 4.474 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC001559510814 1059301987 /nfs/dbraw/zinc/30/19/87/1059301987.db2.gz XCMMNHAQAPTRKV-UHFFFAOYSA-N 1 0 312.498 4.291 20 30 DIEDRO C#CC[N@@H+](Cc1cc(C)ccc1OC(F)F)C1CCCCC1 ZINC001559513863 1059309648 /nfs/dbraw/zinc/30/96/48/1059309648.db2.gz JBDMDKNMIMDJSJ-UHFFFAOYSA-N 1 0 307.384 4.364 20 30 DIEDRO C#CC[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC001559514143 1059312939 /nfs/dbraw/zinc/31/29/39/1059312939.db2.gz SJTWYLYJKZXHDH-QFIPXVFZSA-N 1 0 321.464 4.011 20 30 DIEDRO CCC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)O ZINC001559527264 1059325599 /nfs/dbraw/zinc/32/55/99/1059325599.db2.gz ZPBHEFUEUJKTQR-UHFFFAOYSA-N 1 0 322.452 4.208 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccccc3CF)CC2)c1 ZINC001559531826 1059327714 /nfs/dbraw/zinc/32/77/14/1059327714.db2.gz ZYOCRZCFHGDOND-UHFFFAOYSA-N 1 0 324.399 4.071 20 30 DIEDRO CC[C@H](C)[C@@H](C)[N@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC001559530979 1059330788 /nfs/dbraw/zinc/33/07/88/1059330788.db2.gz IQQHVRXIMFDBPF-JKSUJKDBSA-N 1 0 300.446 4.226 20 30 DIEDRO C=CC[N@@H+](Cc1cccc2c1OCCO2)CC1CCCCC1 ZINC001559537622 1059337667 /nfs/dbraw/zinc/33/76/67/1059337667.db2.gz BJMBMKKCLXKCPF-UHFFFAOYSA-N 1 0 301.430 4.026 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001559566768 1059389555 /nfs/dbraw/zinc/38/95/55/1059389555.db2.gz NFRHULACKOQOOM-MGPUTAFESA-N 1 0 311.375 4.399 20 30 DIEDRO CCC[N@H+](CC1(C#N)CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001559574397 1059404342 /nfs/dbraw/zinc/40/43/42/1059404342.db2.gz YOUZLYMECGBEQG-DLBZAZTESA-N 1 0 304.478 4.130 20 30 DIEDRO Cc1ccccc1SC[C@H](C)C[N@H+](CCC#N)CC1CC1 ZINC001559578865 1059412307 /nfs/dbraw/zinc/41/23/07/1059412307.db2.gz VKMPBSGVSFLKDL-OAHLLOKOSA-N 1 0 302.487 4.349 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC001559584546 1059418963 /nfs/dbraw/zinc/41/89/63/1059418963.db2.gz PLESDZRNKUGCDP-UHFFFAOYSA-N 1 0 316.754 4.376 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)CCCCC2(C#N)CCC2)C12CCC2 ZINC001559597197 1059432485 /nfs/dbraw/zinc/43/24/85/1059432485.db2.gz CNWICDQUTYWXCP-SJORKVTESA-N 1 0 304.478 4.130 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1(CC)CC ZINC001559619041 1059448363 /nfs/dbraw/zinc/44/83/63/1059448363.db2.gz SRQYNLFHIXRYRI-MSOLQXFVSA-N 1 0 318.436 4.113 20 30 DIEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559627448 1059455718 /nfs/dbraw/zinc/45/57/18/1059455718.db2.gz YNEDMIZOFQCUME-KRWDZBQOSA-N 1 0 315.417 4.257 20 30 DIEDRO N#Cc1cncc(C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC001559661871 1059492234 /nfs/dbraw/zinc/49/22/34/1059492234.db2.gz IQDWFSYQGKBJCR-LJQANCHMSA-N 1 0 319.452 4.188 20 30 DIEDRO Cc1ccc(CC2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC001559672889 1059498863 /nfs/dbraw/zinc/49/88/63/1059498863.db2.gz WSVYSTALGUERHG-UHFFFAOYSA-N 1 0 310.466 4.383 20 30 DIEDRO CC#CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@@H]1C ZINC001559687964 1059515167 /nfs/dbraw/zinc/51/51/67/1059515167.db2.gz CHQLQWMUKVCLDG-FUHWJXTLSA-N 1 0 315.457 4.108 20 30 DIEDRO CCCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001559691941 1059521295 /nfs/dbraw/zinc/52/12/95/1059521295.db2.gz VWFNVALEEJEMMP-HZPDHXFCSA-N 1 0 312.498 4.287 20 30 DIEDRO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC001559740963 1059576397 /nfs/dbraw/zinc/57/63/97/1059576397.db2.gz UTUFXMLDHQILGD-QGZVFWFLSA-N 1 0 324.509 4.454 20 30 DIEDRO Cc1cccc([C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC001559743996 1059578265 /nfs/dbraw/zinc/57/82/65/1059578265.db2.gz YTRLKJFRACVRQU-LJQANCHMSA-N 1 0 309.840 4.489 20 30 DIEDRO C=CCCNC(=S)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001247692534 1059588430 /nfs/dbraw/zinc/58/84/30/1059588430.db2.gz ZNQXMPGBIDGWTC-UHFFFAOYSA-N 1 0 316.495 4.496 20 30 DIEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1C#N ZINC001559759513 1059593664 /nfs/dbraw/zinc/59/36/64/1059593664.db2.gz WVQWOUGRHIREGA-WMZOPIPTSA-N 1 0 300.446 4.132 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001559759896 1059596940 /nfs/dbraw/zinc/59/69/40/1059596940.db2.gz FZWCZYPKNXHZKP-ZDUSSCGKSA-N 1 0 304.743 4.278 20 30 DIEDRO CCCCCCCc1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC001247788431 1059629448 /nfs/dbraw/zinc/62/94/48/1059629448.db2.gz LSRMFHJVSSTNTD-QGZVFWFLSA-N 1 0 313.445 4.326 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2cnc(OC)c(Cl)c2)CCCC1(C)C ZINC001559797625 1059632157 /nfs/dbraw/zinc/63/21/57/1059632157.db2.gz VCRGNDPQTPKGRJ-HNNXBMFYSA-N 1 0 308.853 4.310 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001559799306 1059636768 /nfs/dbraw/zinc/63/67/68/1059636768.db2.gz SZMGKWDACAEVTR-QGZVFWFLSA-N 1 0 301.430 4.182 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1COC2(CCCCC2)O1 ZINC001559807509 1059642315 /nfs/dbraw/zinc/64/23/15/1059642315.db2.gz GJRLGOTZGVKOTB-LJQANCHMSA-N 1 0 315.457 4.141 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001559819652 1059651741 /nfs/dbraw/zinc/65/17/41/1059651741.db2.gz BJAXRZZDZMZNPL-FQEVSTJZSA-N 1 0 311.469 4.394 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1ccc(C#N)cc1 ZINC001559831848 1059664645 /nfs/dbraw/zinc/66/46/45/1059664645.db2.gz GCFYYPQWOFOTSN-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC001559862214 1059684381 /nfs/dbraw/zinc/68/43/81/1059684381.db2.gz JEZAJOINAOOTNT-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)CCOc1ccccc1C#N ZINC001559879429 1059698609 /nfs/dbraw/zinc/69/86/09/1059698609.db2.gz JGSIHHRQWZALQS-SFHVURJKSA-N 1 0 324.424 4.029 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)[C@H]1CC1(C)C ZINC001559921932 1059737393 /nfs/dbraw/zinc/73/73/93/1059737393.db2.gz VKNBXNTYWKJGNW-KGLIPLIRSA-N 1 0 308.372 4.074 20 30 DIEDRO C=CCCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001559926258 1059740191 /nfs/dbraw/zinc/74/01/91/1059740191.db2.gz MQJAKGYKBWNLMV-IKGGRYGDSA-N 1 0 324.509 4.214 20 30 DIEDRO CCCCCCCc1ccc(-c2noc([C@H](C)C[NH3+])n2)cc1 ZINC001248212926 1059751095 /nfs/dbraw/zinc/75/10/95/1059751095.db2.gz NULRQIIKWQQQAJ-CQSZACIVSA-N 1 0 301.434 4.312 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CCc2ccccc21 ZINC001559969862 1059777453 /nfs/dbraw/zinc/77/74/53/1059777453.db2.gz SOFPYJJQBWYMOF-AWEZNQCLSA-N 1 0 310.828 4.373 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c(OC(F)F)c1 ZINC001559970127 1059778253 /nfs/dbraw/zinc/77/82/53/1059778253.db2.gz CVQLLNBZIUIDPR-MRXNPFEDSA-N 1 0 320.383 4.314 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CCc2ccccc21 ZINC001559969863 1059778385 /nfs/dbraw/zinc/77/83/85/1059778385.db2.gz SOFPYJJQBWYMOF-CQSZACIVSA-N 1 0 310.828 4.373 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC001559983068 1059790458 /nfs/dbraw/zinc/79/04/58/1059790458.db2.gz FSPHQXZQRODUCL-INIZCTEOSA-N 1 0 314.473 4.211 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC001559983476 1059790938 /nfs/dbraw/zinc/79/09/38/1059790938.db2.gz SDSGORAZZBYMTQ-OAHLLOKOSA-N 1 0 312.413 4.138 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC001559993254 1059798363 /nfs/dbraw/zinc/79/83/63/1059798363.db2.gz SUQBTLUXTQXWFL-SUMWQHHRSA-N 1 0 322.399 4.018 20 30 DIEDRO C=CCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC001559997168 1059803029 /nfs/dbraw/zinc/80/30/29/1059803029.db2.gz PHXXAONWDPLOSP-AWEZNQCLSA-N 1 0 310.235 4.171 20 30 DIEDRO C=CCC1([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CCCC1 ZINC001560002600 1059808966 /nfs/dbraw/zinc/80/89/66/1059808966.db2.gz TVHVVSDNXRYZFF-HXUWFJFHSA-N 1 0 309.453 4.222 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC001560008882 1059816188 /nfs/dbraw/zinc/81/61/88/1059816188.db2.gz SGAZXGQZFNBRJQ-RKDXNWHRSA-N 1 0 304.178 4.343 20 30 DIEDRO C[C@@H](C#N)c1ccc(Nc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC001248414215 1059822740 /nfs/dbraw/zinc/82/27/40/1059822740.db2.gz XZLVUQVRGRDAHP-INIZCTEOSA-N 1 0 323.440 4.388 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC001560022674 1059834925 /nfs/dbraw/zinc/83/49/25/1059834925.db2.gz BWIFAMAHPAZWNJ-UHFFFAOYSA-N 1 0 317.448 4.390 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Cl)cn2ccnc12)C1CCCCC1 ZINC001248455608 1059837996 /nfs/dbraw/zinc/83/79/96/1059837996.db2.gz AKTTUTXUOOFIIS-UHFFFAOYSA-N 1 0 303.837 4.308 20 30 DIEDRO CCCCCCCC[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC001560041160 1059857264 /nfs/dbraw/zinc/85/72/64/1059857264.db2.gz IUFRAAFWPZGMSS-HNNXBMFYSA-N 1 0 300.487 4.192 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(-c3ccc(Cl)cc3)n2)CC1 ZINC001248520266 1059859601 /nfs/dbraw/zinc/85/96/01/1059859601.db2.gz OJQNDWYONZGZEW-UHFFFAOYSA-N 1 0 310.828 4.247 20 30 DIEDRO C[N@H+](CCCOc1cccc(C(C)(C)C)c1)[C@@H]1CCC[C@@H]1C#N ZINC001560060581 1059872510 /nfs/dbraw/zinc/87/25/10/1059872510.db2.gz QMECYVOYXBIOSP-VQIMIIECSA-N 1 0 314.473 4.377 20 30 DIEDRO Clc1ccccc1C#CC[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001560065443 1059877603 /nfs/dbraw/zinc/87/76/03/1059877603.db2.gz OHCFGRFDSDFLRN-AQNXPRMDSA-N 1 0 321.851 4.427 20 30 DIEDRO Cc1ccc2c(CN(CCC#N)Cc3ccccc3)cccc2n1 ZINC001248545552 1059878273 /nfs/dbraw/zinc/87/82/73/1059878273.db2.gz GTBWXXABXZMHSA-UHFFFAOYSA-N 1 0 315.420 4.459 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1cc(C)ccc1C ZINC001560069780 1059880374 /nfs/dbraw/zinc/88/03/74/1059880374.db2.gz BECOTNNIWYQNIV-LJQANCHMSA-N 1 0 308.425 4.425 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc(C(=O)OC)c2Cl)CCCCC1 ZINC001560070932 1059883141 /nfs/dbraw/zinc/88/31/41/1059883141.db2.gz SGDDKFGVFHIQCY-UHFFFAOYSA-N 1 0 321.848 4.495 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1cc(C)ccc1C ZINC001560069779 1059883296 /nfs/dbraw/zinc/88/32/96/1059883296.db2.gz BECOTNNIWYQNIV-IBGZPJMESA-N 1 0 308.425 4.425 20 30 DIEDRO C=CC[C@@H](C(=O)OC)[N@H+](CCc1ccccc1)CCC(C)(C)C ZINC001560099181 1059906894 /nfs/dbraw/zinc/90/68/94/1059906894.db2.gz DECFKJSOTNRNOK-SFHVURJKSA-N 1 0 317.473 4.085 20 30 DIEDRO N#CC(CC[N@H+]1CC[C@@H](CF)C1)(c1ccccc1)c1ccccc1 ZINC001560103113 1059909407 /nfs/dbraw/zinc/90/94/07/1059909407.db2.gz HBABQPLZAXMDOQ-SFHVURJKSA-N 1 0 322.427 4.178 20 30 DIEDRO N#CC(CC[NH+]1CCC(F)CC1)(c1ccccc1)c1ccccc1 ZINC001560105299 1059913199 /nfs/dbraw/zinc/91/31/99/1059913199.db2.gz ZBCXJFMTQXCOQF-UHFFFAOYSA-N 1 0 322.427 4.320 20 30 DIEDRO C[C@]1(Cc2cc(F)c(F)c(F)c2)CCC[N@@H+]1CCCCC#N ZINC001560109217 1059913827 /nfs/dbraw/zinc/91/38/27/1059913827.db2.gz WLGJESPSSQHWNL-QGZVFWFLSA-N 1 0 310.363 4.195 20 30 DIEDRO CCCCCCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC001560106663 1059916842 /nfs/dbraw/zinc/91/68/42/1059916842.db2.gz PVBFXGNPZNRTAY-OAHLLOKOSA-N 1 0 314.267 4.043 20 30 DIEDRO C=CCCC[C@H]([NH2+]CCc1ccc(C(N)=O)cc1)c1ccccc1 ZINC001560108748 1059917976 /nfs/dbraw/zinc/91/79/76/1059917976.db2.gz KTFYBDUXELBTCZ-FQEVSTJZSA-N 1 0 322.452 4.015 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC001560127752 1059932426 /nfs/dbraw/zinc/93/24/26/1059932426.db2.gz VNOKMRHENVACQO-GFCCVEGCSA-N 1 0 323.278 4.435 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001560133409 1059933648 /nfs/dbraw/zinc/93/36/48/1059933648.db2.gz XKKLWICUCSVZNN-MGPUTAFESA-N 1 0 306.409 4.150 20 30 DIEDRO C#CCC1([NH2+]CC/C=C\c2ccc(Br)cc2)CCC1 ZINC001560165315 1059960480 /nfs/dbraw/zinc/96/04/80/1059960480.db2.gz IDAGJOQZUGJFGW-UTCJRWHESA-N 1 0 318.258 4.388 20 30 DIEDRO C#CCC1([NH2+]CC/C=C/c2ccc(Br)cc2)CCC1 ZINC001560165316 1059960949 /nfs/dbraw/zinc/96/09/49/1059960949.db2.gz IDAGJOQZUGJFGW-ZZXKWVIFSA-N 1 0 318.258 4.388 20 30 DIEDRO C#CCC1([NH2+]CCSc2cccc(OC)c2)CCCCC1 ZINC001560170703 1059961147 /nfs/dbraw/zinc/96/11/47/1059961147.db2.gz KIJJYMRWJQSWMY-UHFFFAOYSA-N 1 0 303.471 4.103 20 30 DIEDRO C#CCC1([NH2+]Cc2cnc(OC)c3ccccc23)CCCCC1 ZINC001560171416 1059962019 /nfs/dbraw/zinc/96/20/19/1059962019.db2.gz ULPQQIKPLUGDBN-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC001248751247 1059964394 /nfs/dbraw/zinc/96/43/94/1059964394.db2.gz PHWKOKCDCQYKLP-FQEVSTJZSA-N 1 0 320.436 4.466 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC001248748509 1059964542 /nfs/dbraw/zinc/96/45/42/1059964542.db2.gz LYJKPDPYKHEOJE-IBGZPJMESA-N 1 0 320.436 4.119 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC001248751622 1059965279 /nfs/dbraw/zinc/96/52/79/1059965279.db2.gz DAVUBPNDCYYNGG-OAHLLOKOSA-N 1 0 308.425 4.322 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001248751695 1059965912 /nfs/dbraw/zinc/96/59/12/1059965912.db2.gz GUAFGKJUGNXPGW-FQEVSTJZSA-N 1 0 322.477 4.411 20 30 DIEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001248748525 1059966315 /nfs/dbraw/zinc/96/63/15/1059966315.db2.gz MGQYXODJULVDQB-UHFFFAOYSA-N 1 0 304.384 4.132 20 30 DIEDRO C#CC[N@H+](CCOCC1CCCC1)[C@@H]1CCCc2ccccc21 ZINC001560171999 1059967958 /nfs/dbraw/zinc/96/79/58/1059967958.db2.gz LMIPGVHEUGYMKB-OAQYLSRUSA-N 1 0 311.469 4.206 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+](C)CC/C=C/c1cccnc1 ZINC001248752634 1059968364 /nfs/dbraw/zinc/96/83/64/1059968364.db2.gz UIDRIKJYDUSIOJ-QPJJXVBHSA-N 1 0 305.425 4.051 20 30 DIEDRO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC001560200187 1059981153 /nfs/dbraw/zinc/98/11/53/1059981153.db2.gz PASZMELBWAGWBG-SFHVURJKSA-N 1 0 323.436 4.212 20 30 DIEDRO C=CCCC[N@@H+](CC)CCC(=O)Nc1cccc2ccccc21 ZINC001560204515 1059986689 /nfs/dbraw/zinc/98/66/89/1059986689.db2.gz NZZCONGLBDBQFM-UHFFFAOYSA-N 1 0 310.441 4.457 20 30 DIEDRO CC(C)[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC001560216947 1059991334 /nfs/dbraw/zinc/99/13/34/1059991334.db2.gz DGWKZNNUMAFKGN-MOPGFXCFSA-N 1 0 317.521 4.045 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCSc1ccccc1 ZINC001560256825 1060025160 /nfs/dbraw/zinc/02/51/60/1060025160.db2.gz KOWNFHRZMYLRIR-UHFFFAOYSA-N 1 0 310.466 4.447 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1nccc2ccccc21)C(C)C ZINC001560261686 1060031412 /nfs/dbraw/zinc/03/14/12/1060031412.db2.gz DESNXDXNCSHESA-NRFANRHFSA-N 1 0 323.484 4.023 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001560277270 1060051708 /nfs/dbraw/zinc/05/17/08/1060051708.db2.gz MQRYTNIHWMKCIP-UKRRQHHQSA-N 1 0 313.363 4.419 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001560277268 1060052528 /nfs/dbraw/zinc/05/25/28/1060052528.db2.gz MQRYTNIHWMKCIP-DZGCQCFKSA-N 1 0 313.363 4.419 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001560277271 1060053052 /nfs/dbraw/zinc/05/30/52/1060053052.db2.gz MQRYTNIHWMKCIP-ZFWWWQNUSA-N 1 0 313.363 4.419 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC001525866756 1060059582 /nfs/dbraw/zinc/05/95/82/1060059582.db2.gz SOMHEBARUDJGGB-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2ccccc2Cl)c1 ZINC001560299782 1060084126 /nfs/dbraw/zinc/08/41/26/1060084126.db2.gz SSHORNVYUDMJTJ-UHFFFAOYSA-N 1 0 301.817 4.237 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(OCC#N)cc1)CC1CCCCC1 ZINC001560323581 1060109282 /nfs/dbraw/zinc/10/92/82/1060109282.db2.gz ZHUZWDBBPFILNN-MRXNPFEDSA-N 1 0 300.446 4.285 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)cc(OC)c1OC ZINC001560322294 1060109603 /nfs/dbraw/zinc/10/96/03/1060109603.db2.gz YTTBRYMWOOECNS-WMLDXEAASA-N 1 0 317.473 4.347 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)cc(OC)c1OC ZINC001560322293 1060109857 /nfs/dbraw/zinc/10/98/57/1060109857.db2.gz YTTBRYMWOOECNS-RHSMWYFYSA-N 1 0 317.473 4.347 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(OCC#N)cc1)CC1CCCCC1 ZINC001560323580 1060110145 /nfs/dbraw/zinc/11/01/45/1060110145.db2.gz ZHUZWDBBPFILNN-INIZCTEOSA-N 1 0 300.446 4.285 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)cc(OC)c1OC ZINC001560322292 1060110675 /nfs/dbraw/zinc/11/06/75/1060110675.db2.gz YTTBRYMWOOECNS-PBHICJAKSA-N 1 0 317.473 4.347 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)C1 ZINC001560325588 1060111547 /nfs/dbraw/zinc/11/15/47/1060111547.db2.gz ONSKAZXRUCGLFS-UONOGXRCSA-N 1 0 313.363 4.419 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)C1 ZINC001560332603 1060117734 /nfs/dbraw/zinc/11/77/34/1060117734.db2.gz QPDIISPIYSXINA-ZWKOTPCHSA-N 1 0 322.562 4.073 20 30 DIEDRO Cc1cc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)ccc1C#N ZINC001560344991 1060129933 /nfs/dbraw/zinc/12/99/33/1060129933.db2.gz CYJFQTDTDOLCEP-UHFFFAOYSA-N 1 0 310.828 4.342 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2SCC)cc1 ZINC001560369916 1060154875 /nfs/dbraw/zinc/15/48/75/1060154875.db2.gz NTAZCTSDCSXWQK-RTBURBONSA-N 1 0 317.498 4.243 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001560394855 1060180603 /nfs/dbraw/zinc/18/06/03/1060180603.db2.gz RCZHPGGOUWLHMQ-CYBMUJFWSA-N 1 0 303.352 4.208 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2(CC)CCCC2)cc(OC)c1O ZINC001560397059 1060183796 /nfs/dbraw/zinc/18/37/96/1060183796.db2.gz HNCJWRUCMCGXNX-UHFFFAOYSA-N 1 0 303.446 4.189 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC001560418916 1060205576 /nfs/dbraw/zinc/20/55/76/1060205576.db2.gz CXCXNNHNLDMYGU-GOSISDBHSA-N 1 0 314.432 4.105 20 30 DIEDRO C=CCCOCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC001560429606 1060215083 /nfs/dbraw/zinc/21/50/83/1060215083.db2.gz UECIZNJVHBRUEW-UHFFFAOYSA-N 1 0 321.367 4.124 20 30 DIEDRO C=CCCOCC[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001560429512 1060216405 /nfs/dbraw/zinc/21/64/05/1060216405.db2.gz OJFNSJMTCBXQCI-QGZVFWFLSA-N 1 0 303.490 4.345 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001560444407 1060234687 /nfs/dbraw/zinc/23/46/87/1060234687.db2.gz NWPLPSWLZPOFQO-PZJWPPBQSA-N 1 0 319.448 4.200 20 30 DIEDRO C=CCCCC[NH2+]Cc1cc(OC)c(Br)cc1F ZINC001560449613 1060238337 /nfs/dbraw/zinc/23/83/37/1060238337.db2.gz ZHSCEITZQOEMKN-UHFFFAOYSA-N 1 0 316.214 4.043 20 30 DIEDRO C=CCCCC[NH2+]Cc1cn(-c2ccccc2Cl)nc1C ZINC001560449259 1060238519 /nfs/dbraw/zinc/23/85/19/1060238519.db2.gz IRDORJCSJKJSAF-UHFFFAOYSA-N 1 0 303.837 4.280 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC001560455417 1060244474 /nfs/dbraw/zinc/24/44/74/1060244474.db2.gz LJBMGSPQDLWWCA-BBRMVZONSA-N 1 0 314.256 4.373 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc3ccc(C#N)cc3[nH]2)cc1 ZINC001249429503 1060245615 /nfs/dbraw/zinc/24/56/15/1060245615.db2.gz DTCKHEWSCUZGIM-CQSZACIVSA-N 1 0 319.408 4.241 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)Cc2ccccc21 ZINC001249426477 1060246007 /nfs/dbraw/zinc/24/60/07/1060246007.db2.gz SQMJILWGWDJWGY-AWEZNQCLSA-N 1 0 301.393 4.159 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc3ccc(C#N)cc3[nH]2)cn1 ZINC001249430244 1060246969 /nfs/dbraw/zinc/24/69/69/1060246969.db2.gz JEHKJEGCDWFGSL-HXUWFJFHSA-N 1 0 316.408 4.080 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC001560461787 1060251921 /nfs/dbraw/zinc/25/19/21/1060251921.db2.gz RMOGQJMXHMZILL-FXAWDEMLSA-N 1 0 308.400 4.432 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)cc1 ZINC001560471889 1060261524 /nfs/dbraw/zinc/26/15/24/1060261524.db2.gz ANECWAKOHUMIJE-UHFFFAOYSA-N 1 0 323.411 4.093 20 30 DIEDRO C=CCC1(C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)CCCC1 ZINC001560471858 1060262068 /nfs/dbraw/zinc/26/20/68/1060262068.db2.gz ZIQGDQIGIIJGNE-AWEZNQCLSA-N 1 0 304.503 4.494 20 30 DIEDRO C=CC[N@@H+](Cc1cccc2cnc(SCC)n21)C(C)(C)C ZINC001249501433 1060264907 /nfs/dbraw/zinc/26/49/07/1060264907.db2.gz VLYPMXXIOQDSKZ-UHFFFAOYSA-N 1 0 303.475 4.233 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@H](CCC)c2ccccc2)cc1 ZINC001560477261 1060266346 /nfs/dbraw/zinc/26/63/46/1060266346.db2.gz HSJIKDDIHSMDQT-FQEVSTJZSA-N 1 0 307.437 4.372 20 30 DIEDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC001560477176 1060267424 /nfs/dbraw/zinc/26/74/24/1060267424.db2.gz YNXXYOOWCBGYKB-MSOLQXFVSA-N 1 0 300.446 4.285 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OC)c(C(C)(C)C)c2)cc1 ZINC001560478101 1060269736 /nfs/dbraw/zinc/26/97/36/1060269736.db2.gz JFDXWRLFDRMHBO-UHFFFAOYSA-N 1 0 307.437 4.264 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC001560485087 1060276591 /nfs/dbraw/zinc/27/65/91/1060276591.db2.gz IVDJKJYCFHBLAT-IEBWSBKVSA-N 1 0 308.400 4.371 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC001560485214 1060278309 /nfs/dbraw/zinc/27/83/09/1060278309.db2.gz NIXWTGNCGOAUMY-UHFFFAOYSA-N 1 0 312.244 4.333 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC001560487211 1060279247 /nfs/dbraw/zinc/27/92/47/1060279247.db2.gz BNGKLUXJFFACNO-LALPHHSUSA-N 1 0 314.256 4.361 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(C3CCC3)CCC2)cc1OC ZINC001560501091 1060296901 /nfs/dbraw/zinc/29/69/01/1060296901.db2.gz RLLZZYMOKZLNIZ-UHFFFAOYSA-N 1 0 301.430 4.072 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@H]1CCC[C@@H](C)C1 ZINC001560506932 1060304345 /nfs/dbraw/zinc/30/43/45/1060304345.db2.gz VYUFVBRMSYNAFO-AOIWGVFYSA-N 1 0 313.489 4.341 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC001560511164 1060309859 /nfs/dbraw/zinc/30/98/59/1060309859.db2.gz BIKMRRGXHDQFKZ-QKPAOTATSA-N 1 0 322.493 4.013 20 30 DIEDRO COc1cc(C[NH2+][C@H](C2CCC2)C2CCCCC2)ccc1C#N ZINC001560513702 1060312857 /nfs/dbraw/zinc/31/28/57/1060312857.db2.gz CVNJSLHMTMGXKI-FQEVSTJZSA-N 1 0 312.457 4.405 20 30 DIEDRO CCCCCCCNC(=S)Nc1cccc(C[NH+](C)C)c1 ZINC001249640196 1060326831 /nfs/dbraw/zinc/32/68/31/1060326831.db2.gz APQRLFFIOHIYNI-UHFFFAOYSA-N 1 0 307.507 4.005 20 30 DIEDRO N#Cc1cccc(C[N@H+](Cc2ccccn2)C2CCCCC2)c1F ZINC001249687563 1060346610 /nfs/dbraw/zinc/34/66/10/1060346610.db2.gz ITFKGWDSOGIDEL-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO Cc1cc2cc(C[NH2+][C@H]3Cc4ccc(C#N)cc4C3)oc2cc1C ZINC001560566271 1060374416 /nfs/dbraw/zinc/37/44/16/1060374416.db2.gz JTLXNSYIUULQOV-IBGZPJMESA-N 1 0 316.404 4.178 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001560579083 1060393151 /nfs/dbraw/zinc/39/31/51/1060393151.db2.gz WMNBODDBKJVYIH-IEBWSBKVSA-N 1 0 300.490 4.089 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC001560579010 1060394499 /nfs/dbraw/zinc/39/44/99/1060394499.db2.gz SFTYKXPJMLDKPI-AWEZNQCLSA-N 1 0 303.446 4.101 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)cc1C#N ZINC001560585907 1060398323 /nfs/dbraw/zinc/39/83/23/1060398323.db2.gz RNKDGDSNKGCWJA-UHFFFAOYSA-N 1 0 320.314 4.055 20 30 DIEDRO Fc1cc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc(C(F)(F)F)c1 ZINC001560585720 1060398719 /nfs/dbraw/zinc/39/87/19/1060398719.db2.gz HTYIMKVNOZPXCB-GZMMTYOYSA-N 1 0 315.232 4.133 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(C)C)cc1 ZINC001560589549 1060402894 /nfs/dbraw/zinc/40/28/94/1060402894.db2.gz TXAIBNQKPGBPAC-NRFANRHFSA-N 1 0 307.437 4.056 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1CCC=CCC1 ZINC001560598959 1060412815 /nfs/dbraw/zinc/41/28/15/1060412815.db2.gz VXZKGXOUUKSCAS-UHFFFAOYSA-N 1 0 303.833 4.188 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)CCCCC1 ZINC001560600637 1060414295 /nfs/dbraw/zinc/41/42/95/1060414295.db2.gz VCIFOWLYZMISIM-UHFFFAOYSA-N 1 0 321.848 4.173 20 30 DIEDRO Cc1ccc2[nH]c(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)cc2c1 ZINC001249839860 1060415150 /nfs/dbraw/zinc/41/51/50/1060415150.db2.gz GPSZEKODJXUSSM-UHFFFAOYSA-N 1 0 322.437 4.141 20 30 DIEDRO C=CC1CC[NH+](Cc2cc(C)c(F)cc2Br)CC1 ZINC001560629191 1060440624 /nfs/dbraw/zinc/44/06/24/1060440624.db2.gz HXCVGHZFYOTNCX-UHFFFAOYSA-N 1 0 312.226 4.295 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)ccc1C#N ZINC001560631892 1060445088 /nfs/dbraw/zinc/44/50/88/1060445088.db2.gz LGBWUSYPAWAXDE-OXJNMPFZSA-N 1 0 320.436 4.192 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+](C)CCC2CC2)cc1OC ZINC001560640435 1060457740 /nfs/dbraw/zinc/45/77/40/1060457740.db2.gz QBKGUHWEIWLBJS-UHFFFAOYSA-N 1 0 309.837 4.145 20 30 DIEDRO Cc1ccc(C#N)c(Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC001249900803 1060463028 /nfs/dbraw/zinc/46/30/28/1060463028.db2.gz FFJHYSJKXVODTQ-UHFFFAOYSA-N 1 0 321.424 4.083 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+](C(C)C)C2CC2)cc1OC ZINC001560684085 1060527198 /nfs/dbraw/zinc/52/71/98/1060527198.db2.gz YCUFSSJTFVOTOH-UHFFFAOYSA-N 1 0 309.837 4.286 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC001560686998 1060531090 /nfs/dbraw/zinc/53/10/90/1060531090.db2.gz FLXZJCNHAWLSEL-CABCVRRESA-N 1 0 305.849 4.363 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC001560687005 1060534201 /nfs/dbraw/zinc/53/42/01/1060534201.db2.gz FLXZJCNHAWLSEL-LSDHHAIUSA-N 1 0 305.849 4.363 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)C[C@H]1CCOc2ccccc21 ZINC001560699682 1060555331 /nfs/dbraw/zinc/55/53/31/1060555331.db2.gz ZVONAHIFUGTXMA-LJQANCHMSA-N 1 0 307.437 4.283 20 30 DIEDRO C#CC[N@H+](Cc1cccc2c1CCC2)[C@@H]1CCc2ccccc21 ZINC001560701487 1060558976 /nfs/dbraw/zinc/55/89/76/1060558976.db2.gz NNYPPFBKZYGWTP-JOCHJYFZSA-N 1 0 301.433 4.298 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC001560708985 1060567496 /nfs/dbraw/zinc/56/74/96/1060567496.db2.gz XDVQOFYNOZNGEP-QGZVFWFLSA-N 1 0 304.865 4.092 20 30 DIEDRO N#Cc1cccc(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001250050041 1060567745 /nfs/dbraw/zinc/56/77/45/1060567745.db2.gz GLFZAANCRVGVKJ-UHFFFAOYSA-N 1 0 320.436 4.014 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001560736788 1060605192 /nfs/dbraw/zinc/60/51/92/1060605192.db2.gz MNKDRPPPGZLYPK-CMKODMSKSA-N 1 0 300.490 4.231 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001560742136 1060609835 /nfs/dbraw/zinc/60/98/35/1060609835.db2.gz SXGUHYBFPBKWLM-IAGOWNOFSA-N 1 0 306.494 4.035 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)n1 ZINC001560768910 1060634334 /nfs/dbraw/zinc/63/43/34/1060634334.db2.gz MOFZIQGGXLETLB-PWRODBHTSA-N 1 0 317.436 4.111 20 30 DIEDRO C=CC[N@@H+](C)Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001560773420 1060636796 /nfs/dbraw/zinc/63/67/96/1060636796.db2.gz ZKAUQFHQAIUELB-UHFFFAOYSA-N 1 0 306.768 4.284 20 30 DIEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001560773411 1060636912 /nfs/dbraw/zinc/63/69/12/1060636912.db2.gz ZIAYPLMIAUJTCB-NVXWUHKLSA-N 1 0 302.418 4.252 20 30 DIEDRO C#C[C@@H](C)[N@H+](C)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001560792997 1060651443 /nfs/dbraw/zinc/65/14/43/1060651443.db2.gz BOYKILTYMANAAU-VEGGFIAOSA-N 1 0 305.421 4.232 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC001560791293 1060651896 /nfs/dbraw/zinc/65/18/96/1060651896.db2.gz FWRQUPHGGDUSBW-FZMZJTMJSA-N 1 0 314.242 4.464 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2snc(OC)c2Cl)CCCC1(C)C ZINC001560793201 1060653574 /nfs/dbraw/zinc/65/35/74/1060653574.db2.gz IECSZXVBPIBYPE-GFCCVEGCSA-N 1 0 314.882 4.372 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2c(CC)nn(C)c2CC)CCCC1(C)C ZINC001560793392 1060654518 /nfs/dbraw/zinc/65/45/18/1060654518.db2.gz NYENMEVVPCCGEA-GOSISDBHSA-N 1 0 303.494 4.112 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(C)C ZINC001560819229 1060676562 /nfs/dbraw/zinc/67/65/62/1060676562.db2.gz POLUUBXPBWHILI-IBGZPJMESA-N 1 0 312.482 4.132 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c(F)c1 ZINC001560818606 1060677489 /nfs/dbraw/zinc/67/74/89/1060677489.db2.gz PLMNFCBTFUGDQJ-SFHLNBCPSA-N 1 0 320.411 4.465 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001560827333 1060687421 /nfs/dbraw/zinc/68/74/21/1060687421.db2.gz MCFHOBIBZAVNRF-MSOLQXFVSA-N 1 0 323.525 4.005 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)Cc2coc3ccccc23)cc1 ZINC001560845671 1060701682 /nfs/dbraw/zinc/70/16/82/1060701682.db2.gz XKZNOCAPMRGBHT-MRXNPFEDSA-N 1 0 319.404 4.166 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](c1ccc(SC)cc1)N(C)C ZINC001560850103 1060707621 /nfs/dbraw/zinc/70/76/21/1060707621.db2.gz HLLGRRRZWWHDBL-WMZOPIPTSA-N 1 0 306.519 4.346 20 30 DIEDRO C#C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(Br)cc1 ZINC001560854249 1060712489 /nfs/dbraw/zinc/71/24/89/1060712489.db2.gz DTUBYQYEYTYXSQ-GFCCVEGCSA-N 1 0 320.152 4.056 20 30 DIEDRO C#C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001560865403 1060724600 /nfs/dbraw/zinc/72/46/00/1060724600.db2.gz YMSIRFZHPNYRQH-RRFGBZISSA-N 1 0 324.855 4.383 20 30 DIEDRO C#Cc1cccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)c1 ZINC001560886914 1060749785 /nfs/dbraw/zinc/74/97/85/1060749785.db2.gz NDDBHOLNIAOIRI-UHFFFAOYSA-N 1 0 305.421 4.190 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1cccc(Cl)c1)CC(C)C ZINC001560895534 1060756137 /nfs/dbraw/zinc/75/61/37/1060756137.db2.gz RPBLMKMYRQZXST-UHOSZYNNSA-N 1 0 321.892 4.478 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)cc1 ZINC001560893317 1060758081 /nfs/dbraw/zinc/75/80/81/1060758081.db2.gz LIAKRSZUGNLGLJ-NRFANRHFSA-N 1 0 307.412 4.404 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC001560911528 1060771105 /nfs/dbraw/zinc/77/11/05/1060771105.db2.gz FYQWINPEJQTYST-CYBMUJFWSA-N 1 0 311.372 4.275 20 30 DIEDRO FC(F)(F)c1ccc(C2([NH2+]CC#Cc3ccccc3)CC2)cc1 ZINC001560911548 1060771659 /nfs/dbraw/zinc/77/16/59/1060771659.db2.gz ZESZHQZUDOOZCJ-UHFFFAOYSA-N 1 0 315.338 4.336 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)cc1 ZINC001560911512 1060772281 /nfs/dbraw/zinc/77/22/81/1060772281.db2.gz FJISQMWGJDAJLS-YPAWHYETSA-N 1 0 317.432 4.163 20 30 DIEDRO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CCc2ccc(Cl)cc21 ZINC001560916642 1060780307 /nfs/dbraw/zinc/78/03/07/1060780307.db2.gz SJKOFVPJSRPBQU-MRXNPFEDSA-N 1 0 309.840 4.353 20 30 DIEDRO N#CC1(c2ccc(Nc3ccc4c[nH+]cn4c3)cc2)CCCC1 ZINC001250331554 1060784470 /nfs/dbraw/zinc/78/44/70/1060784470.db2.gz UHGYCUQQWGPRAG-UHFFFAOYSA-N 1 0 302.381 4.413 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc(C(F)(F)F)nc1Cl ZINC001560922408 1060785427 /nfs/dbraw/zinc/78/54/27/1060785427.db2.gz UXXDRHXGDOEOAJ-UHFFFAOYSA-N 1 0 324.799 4.153 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CC=C)C1 ZINC001560922943 1060788517 /nfs/dbraw/zinc/78/85/17/1060788517.db2.gz MLXYPELKJMZUPW-HNNXBMFYSA-N 1 0 303.833 4.140 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC001560927068 1060790801 /nfs/dbraw/zinc/79/08/01/1060790801.db2.gz GIFZDEPABUUWDL-DZVNLGKHSA-N 1 0 307.478 4.079 20 30 DIEDRO C=CCCC1(C[NH2+]CC2CCC3(CC2)OCCO3)CCCC1 ZINC001560929168 1060791882 /nfs/dbraw/zinc/79/18/82/1060791882.db2.gz PGOOIUARGWAIRA-UHFFFAOYSA-N 1 0 307.478 4.036 20 30 DIEDRO CC(C)(C)c1ccc(CC[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC001560928677 1060792336 /nfs/dbraw/zinc/79/23/36/1060792336.db2.gz ZIUAWLBRJZOQQU-UHFFFAOYSA-N 1 0 306.453 4.231 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC001560944235 1060812093 /nfs/dbraw/zinc/81/20/93/1060812093.db2.gz BNMVJKRVFGZJJM-CQSZACIVSA-N 1 0 322.290 4.498 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001560955231 1060822913 /nfs/dbraw/zinc/82/29/13/1060822913.db2.gz NZXAAYQHLPKNDE-QXAKKESOSA-N 1 0 319.876 4.384 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C)cc2)cc1C#N ZINC001560985453 1060849006 /nfs/dbraw/zinc/84/90/06/1060849006.db2.gz AWIIKTXGWUOZAZ-UXHICEINSA-N 1 0 320.436 4.301 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCCc2cc(OC)c(OC)cc21 ZINC001560985863 1060850201 /nfs/dbraw/zinc/85/02/01/1060850201.db2.gz OKDMECGCGXEQRD-RHSMWYFYSA-N 1 0 303.446 4.416 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001560999424 1060857883 /nfs/dbraw/zinc/85/78/83/1060857883.db2.gz UXZJIZQWNWBBQP-QAETUUGQSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001560999425 1060859644 /nfs/dbraw/zinc/85/96/44/1060859644.db2.gz UXZJIZQWNWBBQP-YVSFHVDLSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001560999422 1060859658 /nfs/dbraw/zinc/85/96/58/1060859658.db2.gz UXZJIZQWNWBBQP-HZMVEIRTSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462122147 1060942238 /nfs/dbraw/zinc/94/22/38/1060942238.db2.gz BDTNREALYNNBJQ-UHFFFAOYSA-N 1 0 302.296 4.060 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC)CC1 ZINC001462122948 1060942930 /nfs/dbraw/zinc/94/29/30/1060942930.db2.gz XAVQMQAYXWHNBE-JKSUJKDBSA-N 1 0 312.498 4.192 20 30 DIEDRO C=CCCCC[NH2+][C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001462128784 1060949822 /nfs/dbraw/zinc/94/98/22/1060949822.db2.gz VDIMBDXJERYLNW-RCCFBDPRSA-N 1 0 305.487 4.271 20 30 DIEDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(C#N)cc1Br ZINC001473203621 1060971288 /nfs/dbraw/zinc/97/12/88/1060971288.db2.gz HDDAHZHGCBQZOP-GFCCVEGCSA-N 1 0 309.251 4.189 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC001462154152 1060973241 /nfs/dbraw/zinc/97/32/41/1060973241.db2.gz RGBAGWKTZFSHDQ-UYAOXDASSA-N 1 0 324.468 4.314 20 30 DIEDRO C=C(C)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001473208547 1060975350 /nfs/dbraw/zinc/97/53/50/1060975350.db2.gz QYZDGEHFATUPDU-ZDUSSCGKSA-N 1 0 300.229 4.413 20 30 DIEDRO CCC(CC)([NH2+]CC#CCOC)c1ccc(Cl)c(Cl)c1 ZINC001473263534 1061040301 /nfs/dbraw/zinc/04/03/01/1061040301.db2.gz TUVWXBCBNLSSOK-UHFFFAOYSA-N 1 0 314.256 4.248 20 30 DIEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1OCc1ccc(F)cc1F ZINC001462226486 1061041278 /nfs/dbraw/zinc/04/12/78/1061041278.db2.gz XWLPJWHPSNSCQS-KRWDZBQOSA-N 1 0 315.363 4.045 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cc(-c2ccccc2C)ccc1OC)C(C)C ZINC001462225308 1061042223 /nfs/dbraw/zinc/04/22/23/1061042223.db2.gz TZYJDBPFUMBJST-HXUWFJFHSA-N 1 0 307.437 4.418 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC001462237183 1061048502 /nfs/dbraw/zinc/04/85/02/1061048502.db2.gz ZXWVIRCPVWRSGP-KXBFYZLASA-N 1 0 319.876 4.464 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC001462248458 1061052402 /nfs/dbraw/zinc/05/24/02/1061052402.db2.gz KOXARMPRGNNWAR-NSHDSACASA-N 1 0 314.242 4.321 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001462253083 1061055969 /nfs/dbraw/zinc/05/59/69/1061055969.db2.gz JYXUCKOZXBHPPI-HPBDAGMYSA-N 1 0 305.849 4.299 20 30 DIEDRO CC(C)CSCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001473304776 1061068700 /nfs/dbraw/zinc/06/87/00/1061068700.db2.gz SDWDRBITFJHGCC-UHFFFAOYSA-N 1 0 302.487 4.302 20 30 DIEDRO C[C@@H](CCO)[N@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC001473307058 1061072920 /nfs/dbraw/zinc/07/29/20/1061072920.db2.gz FJVZMOPWTRCBAA-SFHVURJKSA-N 1 0 314.473 4.124 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C2CC2)s1 ZINC001473316039 1061079709 /nfs/dbraw/zinc/07/97/09/1061079709.db2.gz RKVDMHSUKJWSSN-INIZCTEOSA-N 1 0 304.365 4.139 20 30 DIEDRO C=CC[N@H+](CCCOc1cccc(Cl)c1)CCc1ccco1 ZINC001473318123 1061082389 /nfs/dbraw/zinc/08/23/89/1061082389.db2.gz OFARPQIHHSVOLC-UHFFFAOYSA-N 1 0 319.832 4.433 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001462290661 1061083048 /nfs/dbraw/zinc/08/30/48/1061083048.db2.gz CFFCLUPZHUITDA-IAQYHMDHSA-N 1 0 314.256 4.398 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC001473320580 1061084905 /nfs/dbraw/zinc/08/49/05/1061084905.db2.gz CDZLBCCOIVCMKB-KRWDZBQOSA-N 1 0 301.430 4.082 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1cccs1 ZINC001473320827 1061085630 /nfs/dbraw/zinc/08/56/30/1061085630.db2.gz DUDJFHFQGDNAIV-DOTOQJQBSA-N 1 0 320.502 4.260 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cnc(OC)c2ccccc12)c1ccccc1 ZINC001473331914 1061091710 /nfs/dbraw/zinc/09/17/10/1061091710.db2.gz QGYBJEMRXAXUFO-FQEVSTJZSA-N 1 0 316.404 4.098 20 30 DIEDRO CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC001462307784 1061096243 /nfs/dbraw/zinc/09/62/43/1061096243.db2.gz UGNMYIXJNDTXDF-IAGOWNOFSA-N 1 0 321.468 4.434 20 30 DIEDRO C=CCOCC[N@H+](Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C ZINC001473336773 1061098052 /nfs/dbraw/zinc/09/80/52/1061098052.db2.gz YWHZDCCVUHHJDO-SFHVURJKSA-N 1 0 317.473 4.037 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC001462335293 1061112347 /nfs/dbraw/zinc/11/23/47/1061112347.db2.gz SZJOFQAVMXARBQ-QZTJIDSGSA-N 1 0 316.448 4.412 20 30 DIEDRO C[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001462337028 1061112587 /nfs/dbraw/zinc/11/25/87/1061112587.db2.gz XMNDIMTXSAOXHB-XLIONFOSSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC001462345446 1061120373 /nfs/dbraw/zinc/12/03/73/1061120373.db2.gz ZFIFLMFFCGMTCC-CQSZACIVSA-N 1 0 306.400 4.159 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001462350017 1061121407 /nfs/dbraw/zinc/12/14/07/1061121407.db2.gz UWBJSXQTGMZREI-GFCCVEGCSA-N 1 0 318.342 4.086 20 30 DIEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C ZINC001473382900 1061124587 /nfs/dbraw/zinc/12/45/87/1061124587.db2.gz DGBSHOQXQUVNBT-QFBILLFUSA-N 1 0 300.446 4.228 20 30 DIEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C ZINC001473382901 1061125391 /nfs/dbraw/zinc/12/53/91/1061125391.db2.gz DGBSHOQXQUVNBT-VQIMIIECSA-N 1 0 300.446 4.228 20 30 DIEDRO Fc1ccc(F)c(C[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001462359802 1061128186 /nfs/dbraw/zinc/12/81/86/1061128186.db2.gz WSACTENDVVXMLW-LJQANCHMSA-N 1 0 311.375 4.023 20 30 DIEDRO Fc1ccc(F)c(C[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001462359799 1061128345 /nfs/dbraw/zinc/12/83/45/1061128345.db2.gz WSACTENDVVXMLW-IBGZPJMESA-N 1 0 311.375 4.023 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001462366082 1061129857 /nfs/dbraw/zinc/12/98/57/1061129857.db2.gz VSAXZMNMUFINBP-LSDHHAIUSA-N 1 0 306.409 4.075 20 30 DIEDRO C=CCC[N@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC001473391832 1061131738 /nfs/dbraw/zinc/13/17/38/1061131738.db2.gz VSWJPYILCMLYHC-UHFFFAOYSA-N 1 0 301.352 4.372 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc(F)c(F)c1 ZINC001473400255 1061136531 /nfs/dbraw/zinc/13/65/31/1061136531.db2.gz NNYSOYNBDNZDJJ-WMLDXEAASA-N 1 0 307.384 4.131 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H]1C ZINC001473405088 1061139696 /nfs/dbraw/zinc/13/96/96/1061139696.db2.gz ZXQVVYURWYXALR-WQGACYEGSA-N 1 0 321.262 4.235 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473422149 1061151424 /nfs/dbraw/zinc/15/14/24/1061151424.db2.gz MHGRAWUUMMOXSS-OAHLLOKOSA-N 1 0 322.399 4.418 20 30 DIEDRO CCCCCCC[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001473426369 1061155271 /nfs/dbraw/zinc/15/52/71/1061155271.db2.gz ZINDTGRHSQJPPS-IBGZPJMESA-N 1 0 312.457 4.150 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001462413139 1061157490 /nfs/dbraw/zinc/15/74/90/1061157490.db2.gz JKINNXPSAHHVRA-AWEZNQCLSA-N 1 0 321.486 4.492 20 30 DIEDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001462418747 1061162405 /nfs/dbraw/zinc/16/24/05/1061162405.db2.gz AKXVDZSGDKMTGH-QNGMFEMESA-N 1 0 322.427 4.360 20 30 DIEDRO C=C(Br)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001473452104 1061168320 /nfs/dbraw/zinc/16/83/20/1061168320.db2.gz KIBHDEYULXGYOJ-ARFHVFGLSA-N 1 0 306.247 4.163 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001462430483 1061169473 /nfs/dbraw/zinc/16/94/73/1061169473.db2.gz YYJQKRZAIJOUOV-MYBQVCMBSA-N 1 0 322.493 4.014 20 30 DIEDRO C=CCCCC[N@H+]1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001473454941 1061170681 /nfs/dbraw/zinc/17/06/81/1061170681.db2.gz GRZPGPLSXKTBQV-SFHVURJKSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC001462463567 1061191235 /nfs/dbraw/zinc/19/12/35/1061191235.db2.gz KMTHBMJHQBODLF-LPHOPBHVSA-N 1 0 303.446 4.331 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC001473516356 1061208891 /nfs/dbraw/zinc/20/88/91/1061208891.db2.gz KETUKPYTYRLQSI-SFHVURJKSA-N 1 0 308.510 4.071 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CCc1ccccc1OCc1ccccc1 ZINC001462492077 1061209343 /nfs/dbraw/zinc/20/93/43/1061209343.db2.gz VKJMBMQUGZLMPF-GOSISDBHSA-N 1 0 322.452 4.338 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC001462500828 1061212920 /nfs/dbraw/zinc/21/29/20/1061212920.db2.gz BJNVHGYXTITQNU-KYABYICQSA-N 1 0 307.384 4.129 20 30 DIEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCOc1ccccc1C#N ZINC001473518501 1061213111 /nfs/dbraw/zinc/21/31/11/1061213111.db2.gz DFHNUSXWPNVOQU-NVXWUHKLSA-N 1 0 300.446 4.084 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525791 1061220968 /nfs/dbraw/zinc/22/09/68/1061220968.db2.gz GRABCNWIIQPEJG-WOJBJXKFSA-N 1 0 320.436 4.236 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001473525788 1061221254 /nfs/dbraw/zinc/22/12/54/1061221254.db2.gz GRABCNWIIQPEJG-PMACEKPBSA-N 1 0 320.436 4.236 20 30 DIEDRO CCCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473524362 1061222980 /nfs/dbraw/zinc/22/29/80/1061222980.db2.gz RRWRKIMVPIOQFK-ZDUSSCGKSA-N 1 0 321.852 4.051 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001462523392 1061231830 /nfs/dbraw/zinc/23/18/30/1061231830.db2.gz PTJAJJMELFUVND-JCCCHCCOSA-N 1 0 320.358 4.097 20 30 DIEDRO CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC001462543380 1061249837 /nfs/dbraw/zinc/24/98/37/1061249837.db2.gz CRHRSCFZBPYMCZ-XJKSGUPXSA-N 1 0 306.837 4.299 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnc(OC)s1)c1ccccc1 ZINC001462546010 1061251024 /nfs/dbraw/zinc/25/10/24/1061251024.db2.gz CNTKCIQCLJKSKW-MRXNPFEDSA-N 1 0 302.443 4.339 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCCC12CCOCC2 ZINC001473573353 1061263681 /nfs/dbraw/zinc/26/36/81/1061263681.db2.gz NDRBACZKYVNULT-VQIMIIECSA-N 1 0 312.457 4.148 20 30 DIEDRO C=CCCC[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC001473578262 1061266345 /nfs/dbraw/zinc/26/63/45/1061266345.db2.gz SLSHCQGVYIZRPH-UHFFFAOYSA-N 1 0 310.235 4.003 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001462566674 1061268758 /nfs/dbraw/zinc/26/87/58/1061268758.db2.gz OUFFAPWKOHFRRZ-FRQCXROJSA-N 1 0 322.493 4.110 20 30 DIEDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC001473582364 1061272174 /nfs/dbraw/zinc/27/21/74/1061272174.db2.gz UZZHDQWIEVEZDA-OAQYLSRUSA-N 1 0 322.427 4.489 20 30 DIEDRO C#CC1CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC001473582449 1061272219 /nfs/dbraw/zinc/27/22/19/1061272219.db2.gz WLXPYXGQNZQMIV-UHFFFAOYSA-N 1 0 316.857 4.309 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)CC1 ZINC001473603413 1061279399 /nfs/dbraw/zinc/27/93/99/1061279399.db2.gz HUYUUQYZVVDIJV-OYOWGXFISA-N 1 0 324.468 4.311 20 30 DIEDRO CCCCCCC[NH+]1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC001473617553 1061289820 /nfs/dbraw/zinc/28/98/20/1061289820.db2.gz YQDOTZVKYMZCMR-RDJZCZTQSA-N 1 0 319.493 4.418 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC001473627372 1061298247 /nfs/dbraw/zinc/29/82/47/1061298247.db2.gz JLPDVWWUPKITBR-CQSZACIVSA-N 1 0 324.262 4.116 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(NC(=O)OC(C)(C)C)CC1 ZINC001462614888 1061299023 /nfs/dbraw/zinc/29/90/23/1061299023.db2.gz BNIPALUSOSRXKX-OAHLLOKOSA-N 1 0 310.482 4.158 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001473627011 1061300726 /nfs/dbraw/zinc/30/07/26/1061300726.db2.gz CLCYXQCSUAHCCY-KMFTYDHNSA-N 1 0 313.485 4.363 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC001473628057 1061302413 /nfs/dbraw/zinc/30/24/13/1061302413.db2.gz ZALQPGWDGSGRHK-HUUCEWRRSA-N 1 0 320.864 4.264 20 30 DIEDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001473634108 1061304715 /nfs/dbraw/zinc/30/47/15/1061304715.db2.gz CTSLGXGDGJGINN-HXUWFJFHSA-N 1 0 320.436 4.391 20 30 DIEDRO CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC001473638547 1061311232 /nfs/dbraw/zinc/31/12/32/1061311232.db2.gz FSUJNILEEWWFRR-SFHVURJKSA-N 1 0 314.473 4.080 20 30 DIEDRO C=CC[N@@H+](Cc1ccc2oc(C(=O)OC)cc2c1)C(C)(C)C ZINC001473650767 1061318122 /nfs/dbraw/zinc/31/81/22/1061318122.db2.gz GYINIIXSUPCNSF-UHFFFAOYSA-N 1 0 301.386 4.006 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001473661900 1061324119 /nfs/dbraw/zinc/32/41/19/1061324119.db2.gz DMRUIXVNFNVBFI-DVOMOZLQSA-N 1 0 312.240 4.210 20 30 DIEDRO Fc1ccc(C2([NH2+]CC#Cc3ccc(Cl)cc3)CCC2)cc1 ZINC001473667504 1061327809 /nfs/dbraw/zinc/32/78/09/1061327809.db2.gz SHMNDAAKJRMNEO-UHFFFAOYSA-N 1 0 313.803 4.500 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001473675711 1061335825 /nfs/dbraw/zinc/33/58/25/1061335825.db2.gz WMKYLAKRLCHRHJ-QFBILLFUSA-N 1 0 324.509 4.336 20 30 DIEDRO COc1nc(C)cc(C)c1C[N@H+](C)CCCCC1(C#N)CCC1 ZINC001473673840 1061336841 /nfs/dbraw/zinc/33/68/41/1061336841.db2.gz KAFGXYHMRCHPAN-UHFFFAOYSA-N 1 0 315.461 4.003 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001473676126 1061338139 /nfs/dbraw/zinc/33/81/39/1061338139.db2.gz KOVABPCZFVQMDA-VQIMIIECSA-N 1 0 322.493 4.112 20 30 DIEDRO CC(C)c1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001473726210 1061374003 /nfs/dbraw/zinc/37/40/03/1061374003.db2.gz WVAGCBWJCAMARL-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCc1cccc(C#N)c1 ZINC001473732213 1061378697 /nfs/dbraw/zinc/37/86/97/1061378697.db2.gz PMPYPKNVBGFDMJ-CYBMUJFWSA-N 1 0 300.352 4.072 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC001473759513 1061393981 /nfs/dbraw/zinc/39/39/81/1061393981.db2.gz IGVVOJZETMDFHT-RTWAWAEBSA-N 1 0 320.436 4.279 20 30 DIEDRO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)[nH]n1 ZINC001473773442 1061401723 /nfs/dbraw/zinc/40/17/23/1061401723.db2.gz VCJWHUKXFBTWQU-MAUKXSAKSA-N 1 0 322.456 4.345 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1cccc(C#N)c1 ZINC001473786431 1061409859 /nfs/dbraw/zinc/40/98/59/1061409859.db2.gz BEGQSEZMPWPOIN-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797271 1061411476 /nfs/dbraw/zinc/41/14/76/1061411476.db2.gz MWVPQYPPEAHNPH-IBGZPJMESA-N 1 0 322.493 4.066 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC001473805983 1061417984 /nfs/dbraw/zinc/41/79/84/1061417984.db2.gz KQVGJBDHQKPOLD-IEBWSBKVSA-N 1 0 324.509 4.338 20 30 DIEDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001473818490 1061421721 /nfs/dbraw/zinc/42/17/21/1061421721.db2.gz OYHLIJZNLNUWKK-LAUBAEHRSA-N 1 0 320.436 4.205 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001473818840 1061421826 /nfs/dbraw/zinc/42/18/26/1061421826.db2.gz XJOFPEOHFJAUAC-UZLBHIALSA-N 1 0 320.436 4.335 20 30 DIEDRO Clc1ccc(C#CC[N@H+](CCc2ccccc2)C2CC2)cc1 ZINC001473821648 1061425281 /nfs/dbraw/zinc/42/52/81/1061425281.db2.gz PTZRLORUIVEPRI-UHFFFAOYSA-N 1 0 309.840 4.399 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC001473843584 1061432562 /nfs/dbraw/zinc/43/25/62/1061432562.db2.gz HBWJOFFAWWFRFS-SGWGQVFISA-N 1 0 318.420 4.115 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001473857509 1061437087 /nfs/dbraw/zinc/43/70/87/1061437087.db2.gz USLWQJZUIKAVCK-AWEZNQCLSA-N 1 0 316.445 4.356 20 30 DIEDRO CCCC[C@H](CC)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC001473911664 1061459169 /nfs/dbraw/zinc/45/91/69/1061459169.db2.gz KPLIPDZNDBBYFV-KRWDZBQOSA-N 1 0 313.489 4.333 20 30 DIEDRO C[C@H]1CCCC[C@@H]1C[NH2+]CCSCc1ccccc1C#N ZINC001473916302 1061464091 /nfs/dbraw/zinc/46/40/91/1061464091.db2.gz UHLTZKZHLBWMPL-DOTOQJQBSA-N 1 0 302.487 4.207 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1C(F)(F)F ZINC001473926968 1061474738 /nfs/dbraw/zinc/47/47/38/1061474738.db2.gz RLXPAGAWWLVOOX-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)C1 ZINC001473930238 1061478195 /nfs/dbraw/zinc/47/81/95/1061478195.db2.gz CFKLPDLMPGWHHP-NVXWUHKLSA-N 1 0 300.446 4.237 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCN(CC)c2ccccc2C)c1 ZINC001473936712 1061481904 /nfs/dbraw/zinc/48/19/04/1061481904.db2.gz CZCLVCDSGDDDMS-UHFFFAOYSA-N 1 0 324.468 4.176 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC001473955696 1061496165 /nfs/dbraw/zinc/49/61/65/1061496165.db2.gz MOVWIINHSJXSRV-NEPJUHHUSA-N 1 0 314.292 4.388 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC001473970804 1061515906 /nfs/dbraw/zinc/51/59/06/1061515906.db2.gz IKVCAWJJRIROJM-TZMCWYRMSA-N 1 0 324.262 4.292 20 30 DIEDRO C=C(C[NH2+][C@@H]1CCCc2c(cccc2OC)C1)c1ccccc1 ZINC001473982230 1061527428 /nfs/dbraw/zinc/52/74/28/1061527428.db2.gz CYEVMSBARVEJCM-LJQANCHMSA-N 1 0 307.437 4.246 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2CCCCC2)cc(OC)c1OC ZINC001473991095 1061535614 /nfs/dbraw/zinc/53/56/14/1061535614.db2.gz YONLHSSTRJCSPE-UHFFFAOYSA-N 1 0 303.446 4.102 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+]Cc2cccc(OCC#N)c2)cc1C ZINC001474001290 1061542536 /nfs/dbraw/zinc/54/25/36/1061542536.db2.gz KGIVEJNRPBRTIZ-ALCCZGGFSA-N 1 0 320.436 4.317 20 30 DIEDRO N#Cc1ccc(F)cc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001458045276 1061544580 /nfs/dbraw/zinc/54/45/80/1061544580.db2.gz JRXCBBFRHWLZQW-MRXNPFEDSA-N 1 0 315.417 4.008 20 30 DIEDRO CCC[NH+](CCC)CCCNc1ncc(C#N)c2ccsc21 ZINC001458047631 1061547537 /nfs/dbraw/zinc/54/75/37/1061547537.db2.gz PJEJFKWPIFYXQU-UHFFFAOYSA-N 1 0 316.474 4.092 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](CC)C2)cc1OC ZINC001474013573 1061554362 /nfs/dbraw/zinc/55/43/62/1061554362.db2.gz ODZSDFJIZXYPEN-DOTOQJQBSA-N 1 0 303.446 4.318 20 30 DIEDRO C=C1CC(C)(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC001464239759 1061568404 /nfs/dbraw/zinc/56/84/04/1061568404.db2.gz RFHBBBFBBQRKOM-INIZCTEOSA-N 1 0 312.457 4.356 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC001252122488 1061581790 /nfs/dbraw/zinc/58/17/90/1061581790.db2.gz WJQPGIKQJQVHNJ-WMZOPIPTSA-N 1 0 308.466 4.231 20 30 DIEDRO CCCCCCCC[C@H](O)CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001252128834 1061583933 /nfs/dbraw/zinc/58/39/33/1061583933.db2.gz QSCMMPYBTXBCHB-UXHICEINSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001252130693 1061584094 /nfs/dbraw/zinc/58/40/94/1061584094.db2.gz WRZYNPKESFZCLP-VQTJNVASSA-N 1 0 318.505 4.200 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001252127109 1061586025 /nfs/dbraw/zinc/58/60/25/1061586025.db2.gz WVDXJHKULYDOSD-XHSDSOJGSA-N 1 0 303.437 4.075 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001252128216 1061586879 /nfs/dbraw/zinc/58/68/79/1061586879.db2.gz KLGDATYSCUFCFY-GJZGRUSLSA-N 1 0 309.416 4.372 20 30 DIEDRO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001464403293 1061587916 /nfs/dbraw/zinc/58/79/16/1061587916.db2.gz RTFITYWMBWYKMQ-PKOBYXMFSA-N 1 0 314.473 4.027 20 30 DIEDRO CCCCCCCC[C@@H](O)CNc1ccccc1C[NH+](C)C ZINC001252131387 1061588026 /nfs/dbraw/zinc/58/80/26/1061588026.db2.gz MTMYRLIOUOTPCE-GOSISDBHSA-N 1 0 306.494 4.272 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](C)CCCC(C)(C)O ZINC001252134168 1061591797 /nfs/dbraw/zinc/59/17/97/1061591797.db2.gz NZRAGXCZSJEVJP-DLBZAZTESA-N 1 0 301.515 4.017 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001252137299 1061593926 /nfs/dbraw/zinc/59/39/26/1061593926.db2.gz XHVSKNYASVBQQC-SFHVURJKSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cnc2ccccc2c1 ZINC001252135456 1061594515 /nfs/dbraw/zinc/59/45/15/1061594515.db2.gz CULHJOZZTHJERV-LJQANCHMSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1nccc2ccccc21 ZINC001252137233 1061594991 /nfs/dbraw/zinc/59/49/91/1061594991.db2.gz WPEWERCNEDRMKH-GOSISDBHSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001252138938 1061596535 /nfs/dbraw/zinc/59/65/35/1061596535.db2.gz GGLKIOZXZVEZKH-OALUTQOASA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cncc2ccccc21 ZINC001252139895 1061597149 /nfs/dbraw/zinc/59/71/49/1061597149.db2.gz UKGDGHDUWQOTNC-IBGZPJMESA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)Cc1ccncc1 ZINC001252139438 1061597707 /nfs/dbraw/zinc/59/77/07/1061597707.db2.gz OENQLZPHSURVCJ-IBGZPJMESA-N 1 0 320.521 4.351 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)c1ccc(F)cn1 ZINC001252138855 1061598065 /nfs/dbraw/zinc/59/80/65/1061598065.db2.gz GQMIWWTYXKLIHX-KRWDZBQOSA-N 1 0 324.484 4.199 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCCc2cnccc21 ZINC001252140057 1061598675 /nfs/dbraw/zinc/59/86/75/1061598675.db2.gz XRVACXCRTMVPOX-MJGOQNOKSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](COC)c1ccccc1 ZINC001252138768 1061598896 /nfs/dbraw/zinc/59/88/96/1061598896.db2.gz DGBSQIKWQLBDNK-OALUTQOASA-N 1 0 307.478 4.075 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC001252140254 1061600378 /nfs/dbraw/zinc/60/03/78/1061600378.db2.gz ODNWEORSMOLKSL-LPHOPBHVSA-N 1 0 307.478 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](C)Cc1cccc(O)c1 ZINC001252140256 1061600903 /nfs/dbraw/zinc/60/09/03/1061600903.db2.gz ODNWEORSMOLKSL-VQIMIIECSA-N 1 0 307.478 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCCc2ccncc21 ZINC001252140763 1061601137 /nfs/dbraw/zinc/60/11/37/1061601137.db2.gz FPGZVJAMAVQFTC-IEBWSBKVSA-N 1 0 304.478 4.160 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1C)C(C)C ZINC001464871428 1061642140 /nfs/dbraw/zinc/64/21/40/1061642140.db2.gz PCKJRKFYTNLEIY-IPMKNSEASA-N 1 0 320.521 4.018 20 30 DIEDRO C=CCSCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001474107660 1061656317 /nfs/dbraw/zinc/65/63/17/1061656317.db2.gz LOSWGBXPVTVSKG-UHFFFAOYSA-N 1 0 322.474 4.042 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccc(Sc2ccccc2)cc1)[C@H]1CCCO1 ZINC001474118524 1061668272 /nfs/dbraw/zinc/66/82/72/1061668272.db2.gz MNMVUKRTFQUVGY-VQTJNVASSA-N 1 0 323.461 4.108 20 30 DIEDRO C=C[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC001252581783 1061669138 /nfs/dbraw/zinc/66/91/38/1061669138.db2.gz JQMAQHSNGPHHKI-FCHUYYIVSA-N 1 0 317.432 4.456 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1sc2ccccc2c1Cl ZINC001252603384 1061672760 /nfs/dbraw/zinc/67/27/60/1061672760.db2.gz UUOYBZAPAFBZBS-GFCCVEGCSA-N 1 0 309.862 4.314 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC001252603363 1061673717 /nfs/dbraw/zinc/67/37/17/1061673717.db2.gz UKRODVRVJXTILD-OAQYLSRUSA-N 1 0 309.453 4.058 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(Oc2ccc(C)cc2)cc1 ZINC001252622334 1061678928 /nfs/dbraw/zinc/67/89/28/1061678928.db2.gz SFVZGQYDILHXLZ-SFHVURJKSA-N 1 0 311.425 4.204 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl ZINC001252620151 1061679383 /nfs/dbraw/zinc/67/93/83/1061679383.db2.gz QMAUPRDZAXQZHZ-GJZGRUSLSA-N 1 0 316.272 4.231 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](CCCC)Cc1c[nH]c2ccccc12 ZINC001252620705 1061679986 /nfs/dbraw/zinc/67/99/86/1061679986.db2.gz YOQTVDFLRCETQI-ROUUACIJSA-N 1 0 314.473 4.186 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C1(c2cccc(C)c2)CCC(F)(F)CC1 ZINC001252622233 1061680352 /nfs/dbraw/zinc/68/03/52/1061680352.db2.gz QMPFKBOROZYXAU-QGZVFWFLSA-N 1 0 323.427 4.316 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC)c1cccc(C(F)(F)F)c1 ZINC001252618720 1061680365 /nfs/dbraw/zinc/68/03/65/1061680365.db2.gz DSVGIKJQRULDNA-HUUCEWRRSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC001474142441 1061687358 /nfs/dbraw/zinc/68/73/58/1061687358.db2.gz OYSNNFMWYRECPV-UHFFFAOYSA-N 1 0 303.475 4.375 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC001474144436 1061689998 /nfs/dbraw/zinc/68/99/98/1061689998.db2.gz OVJURIJPFBFDEY-UHFFFAOYSA-N 1 0 306.203 4.375 20 30 DIEDRO C=C(C)C[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001474143996 1061691238 /nfs/dbraw/zinc/69/12/38/1061691238.db2.gz BBEGIXVKTQOSQF-UHFFFAOYSA-N 1 0 303.352 4.210 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CCCC1 ZINC001474145494 1061691447 /nfs/dbraw/zinc/69/14/47/1061691447.db2.gz RDHYSYCCXSPLJE-UHFFFAOYSA-N 1 0 323.440 4.495 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001474164231 1061710944 /nfs/dbraw/zinc/71/09/44/1061710944.db2.gz JYUDOKDCKAAQQU-MOPGFXCFSA-N 1 0 313.489 4.342 20 30 DIEDRO CCC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001252790406 1061719047 /nfs/dbraw/zinc/71/90/47/1061719047.db2.gz ZZZZMUGCVIKXRU-DYESRHJHSA-N 1 0 322.452 4.282 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC001474208169 1061762200 /nfs/dbraw/zinc/76/22/00/1061762200.db2.gz UMZBSWUSMMOMSK-NVXWUHKLSA-N 1 0 319.518 4.145 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC001474208171 1061762607 /nfs/dbraw/zinc/76/26/07/1061762607.db2.gz UMZBSWUSMMOMSK-WBVHZDCISA-N 1 0 319.518 4.145 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cc(C)ccn1 ZINC001252979887 1061768678 /nfs/dbraw/zinc/76/86/78/1061768678.db2.gz HJMMDZRVHYHHTL-LJQANCHMSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@@](C)(O)CC1 ZINC001252983792 1061771458 /nfs/dbraw/zinc/77/14/58/1061771458.db2.gz ZVKMOECBCWFRCV-GBESFXJTSA-N 1 0 313.526 4.161 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1nc(C)oc1C ZINC001252981073 1061771634 /nfs/dbraw/zinc/77/16/34/1061771634.db2.gz ZLVXVRUVEQNXIO-QGZVFWFLSA-N 1 0 310.482 4.273 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1csc(C)n1 ZINC001252980493 1061772375 /nfs/dbraw/zinc/77/23/75/1061772375.db2.gz QBMZZBNSAQMUDH-QGZVFWFLSA-N 1 0 312.523 4.433 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccnc(C)c1 ZINC001252982894 1061773053 /nfs/dbraw/zinc/77/30/53/1061773053.db2.gz NDUGHIJSFGIRQG-LJQANCHMSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccncc1F ZINC001252985787 1061775578 /nfs/dbraw/zinc/77/55/78/1061775578.db2.gz HCNBDNJPTAJLDJ-QGZVFWFLSA-N 1 0 310.457 4.202 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC001474219453 1061776349 /nfs/dbraw/zinc/77/63/49/1061776349.db2.gz CDTBBGZSPLRLOM-UHFFFAOYSA-N 1 0 319.445 4.235 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC(C(C)=O)CC1 ZINC001252984413 1061776742 /nfs/dbraw/zinc/77/67/42/1061776742.db2.gz HXJWDBARTHODBC-IBGZPJMESA-N 1 0 311.510 4.179 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H](C)c1cncnc1 ZINC001252987049 1061777146 /nfs/dbraw/zinc/77/71/46/1061777146.db2.gz QIMVQOGUDSATQM-AEFFLSMTSA-N 1 0 307.482 4.019 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OC(F)F)c(OCC)c1 ZINC001474219311 1061778106 /nfs/dbraw/zinc/77/81/06/1061778106.db2.gz ZQRKBQHQCFELTJ-UHFFFAOYSA-N 1 0 313.388 4.379 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1CCc2ccccc2CC1 ZINC001474220302 1061778453 /nfs/dbraw/zinc/77/84/53/1061778453.db2.gz CUDYBURRGNGVQY-UHFFFAOYSA-N 1 0 318.464 4.460 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@@]12CCCOC2 ZINC001252988397 1061779043 /nfs/dbraw/zinc/77/90/43/1061779043.db2.gz FNGXZMPLEJBLSB-GBESFXJTSA-N 1 0 311.510 4.037 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cncc(OC)c1 ZINC001252989338 1061779867 /nfs/dbraw/zinc/77/98/67/1061779867.db2.gz OIFKSYNVLJROAK-GOSISDBHSA-N 1 0 322.493 4.072 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC[C@H]2CCCS2)ccc1OC ZINC001474224398 1061784413 /nfs/dbraw/zinc/78/44/13/1061784413.db2.gz QHQBKBVNSVNYJW-MRXNPFEDSA-N 1 0 321.486 4.025 20 30 DIEDRO C=C[C@@H]([NH2+]C[C@@H](O)COC[C@@H](CC)CCCC)c1ccccc1 ZINC001253033973 1061788368 /nfs/dbraw/zinc/78/83/68/1061788368.db2.gz NLUSSWMKXYYQPY-DFQSSKMNSA-N 1 0 319.489 4.097 20 30 DIEDRO C=C[C@@H]([NH2+]C[C@H](O)COC[C@H](CC)CCCC)c1ccccc1 ZINC001253034045 1061788499 /nfs/dbraw/zinc/78/84/99/1061788499.db2.gz NLUSSWMKXYYQPY-YZGWKJHDSA-N 1 0 319.489 4.097 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001474226648 1061790337 /nfs/dbraw/zinc/79/03/37/1061790337.db2.gz WQAUXUSBYDPIBB-XLIONFOSSA-N 1 0 315.501 4.181 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC001474246937 1061811482 /nfs/dbraw/zinc/81/14/82/1061811482.db2.gz LKWUGXJVDSXFEM-UZGISAJGSA-N 1 0 313.363 4.025 20 30 DIEDRO CCc1cccc(Cl)c1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001474245878 1061811686 /nfs/dbraw/zinc/81/16/86/1061811686.db2.gz UWROYGGLNFESMN-QGZVFWFLSA-N 1 0 310.828 4.031 20 30 DIEDRO CCc1cccc(Cl)c1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001474245877 1061811737 /nfs/dbraw/zinc/81/17/37/1061811737.db2.gz UWROYGGLNFESMN-KRWDZBQOSA-N 1 0 310.828 4.031 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)C2 ZINC001474246274 1061813046 /nfs/dbraw/zinc/81/30/46/1061813046.db2.gz ZIXSLOHSRDXWHT-OAHLLOKOSA-N 1 0 317.219 4.122 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cc(C3CC3)ccc2OC)c1 ZINC001474251995 1061820927 /nfs/dbraw/zinc/82/09/27/1061820927.db2.gz KHHKBCHHECUNDX-UHFFFAOYSA-N 1 0 323.436 4.427 20 30 DIEDRO CCc1cccc2cc(C[NH2+]Cc3ccc(C)c(C#N)c3)oc21 ZINC001474263460 1061830600 /nfs/dbraw/zinc/83/06/00/1061830600.db2.gz ZONVTXOMBGZPBT-UHFFFAOYSA-N 1 0 304.393 4.465 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cccc(C3CC3)c2)cc1C#N ZINC001474265602 1061831616 /nfs/dbraw/zinc/83/16/16/1061831616.db2.gz CENTUMAFUVOTBV-UHFFFAOYSA-N 1 0 308.450 4.447 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001253227488 1061833370 /nfs/dbraw/zinc/83/33/70/1061833370.db2.gz JOOOSVAXQCFJMA-OALUTQOASA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC001253228169 1061834807 /nfs/dbraw/zinc/83/48/07/1061834807.db2.gz PXWYXAQXFQRULO-WMZOPIPTSA-N 1 0 306.450 4.007 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC001253237470 1061836697 /nfs/dbraw/zinc/83/66/97/1061836697.db2.gz ZITLPVAFRRIDKK-HNNXBMFYSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC001253234325 1061836990 /nfs/dbraw/zinc/83/69/90/1061836990.db2.gz ZAOYFRRNAOYDEM-LJQANCHMSA-N 1 0 314.473 4.487 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC001253238701 1061838532 /nfs/dbraw/zinc/83/85/32/1061838532.db2.gz DLYTYDMAUUBBHX-INIZCTEOSA-N 1 0 316.445 4.147 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001253239890 1061839079 /nfs/dbraw/zinc/83/90/79/1061839079.db2.gz VGHZUTMSHWAMCA-OALUTQOASA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001253234454 1061839213 /nfs/dbraw/zinc/83/92/13/1061839213.db2.gz BGVYNIOMNLKVDH-INIZCTEOSA-N 1 0 315.448 4.385 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC001253240534 1061839235 /nfs/dbraw/zinc/83/92/35/1061839235.db2.gz NGPQBPBMBIOVHU-HZPDHXFCSA-N 1 0 308.491 4.168 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+](CC)Cc1ccccc1O ZINC001253240374 1061839359 /nfs/dbraw/zinc/83/93/59/1061839359.db2.gz KCHSQSVROYGQJT-GOSISDBHSA-N 1 0 305.462 4.102 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001474275261 1061841589 /nfs/dbraw/zinc/84/15/89/1061841589.db2.gz NYMAOQVZJHUBFG-UHFFFAOYSA-N 1 0 316.807 4.462 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCC(=O)CC2)CC1 ZINC001253242551 1061841805 /nfs/dbraw/zinc/84/18/05/1061841805.db2.gz NCIVCFWKBYGUGK-LJQANCHMSA-N 1 0 321.505 4.099 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)c1nc2ccccc2[nH]1 ZINC001253245636 1061846830 /nfs/dbraw/zinc/84/68/30/1061846830.db2.gz ADJTYDRZUBFPOS-HZPDHXFCSA-N 1 0 315.461 4.101 20 30 DIEDRO C=CCCCCCC[C@H](O)CNc1ccc(CC[NH+](C)C)cc1 ZINC001253246667 1061847374 /nfs/dbraw/zinc/84/73/74/1061847374.db2.gz SLKVASBSTGQAPX-FQEVSTJZSA-N 1 0 318.505 4.090 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC001253245977 1061848192 /nfs/dbraw/zinc/84/81/92/1061848192.db2.gz GWFLMACHFNVJPR-SFHVURJKSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2ccccc2n1 ZINC001253248116 1061849630 /nfs/dbraw/zinc/84/96/30/1061849630.db2.gz QKFNVUXATICGEF-IBGZPJMESA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC001253247472 1061850125 /nfs/dbraw/zinc/85/01/25/1061850125.db2.gz ZNPYDQFNHCKRSF-FUHWJXTLSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC001253249330 1061850385 /nfs/dbraw/zinc/85/03/85/1061850385.db2.gz JMFNGSUBIDGVAR-CRAIPNDOSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc(Cl)s1 ZINC001253248561 1061850965 /nfs/dbraw/zinc/85/09/65/1061850965.db2.gz XHEQZFVVUAUHMR-ZDUSSCGKSA-N 1 0 301.883 4.379 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC001253248241 1061851452 /nfs/dbraw/zinc/85/14/52/1061851452.db2.gz SPANKFWBIHXWCY-AEFFLSMTSA-N 1 0 305.462 4.233 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCCc1ccc(OC)cc1 ZINC001253248312 1061851818 /nfs/dbraw/zinc/85/18/18/1061851818.db2.gz UIUWFQWELRAZTK-LJQANCHMSA-N 1 0 319.489 4.105 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001253250926 1061854194 /nfs/dbraw/zinc/85/41/94/1061854194.db2.gz FVPVHYUDPVJQOB-KRWDZBQOSA-N 1 0 311.510 4.200 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC001253252632 1061854604 /nfs/dbraw/zinc/85/46/04/1061854604.db2.gz ZAHFKDIJWCAPGD-HOTGVXAUSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1csc(Cl)c1 ZINC001253252069 1061854859 /nfs/dbraw/zinc/85/48/59/1061854859.db2.gz QRFVIYLKOCSUCQ-CQSZACIVSA-N 1 0 301.883 4.379 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)cc1 ZINC001474286926 1061854745 /nfs/dbraw/zinc/85/47/45/1061854745.db2.gz RCZBIFISSNKDFR-GOSISDBHSA-N 1 0 312.457 4.069 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC001253255689 1061856757 /nfs/dbraw/zinc/85/67/57/1061856757.db2.gz ZRDGTCJEJZRBGK-APWZRJJASA-N 1 0 317.473 4.160 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCOC23CCCCC3)cc1 ZINC001474286927 1061856695 /nfs/dbraw/zinc/85/66/95/1061856695.db2.gz RCZBIFISSNKDFR-SFHVURJKSA-N 1 0 312.457 4.069 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1ccc(F)cn1)C1CC1 ZINC001253255194 1061857773 /nfs/dbraw/zinc/85/77/73/1061857773.db2.gz XQUGCZXLTRYQEY-MJGOQNOKSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1cccc(F)c1OC ZINC001253257183 1061859599 /nfs/dbraw/zinc/85/95/99/1061859599.db2.gz OHRRKEZLFROQFP-HOTGVXAUSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001253255923 1061859677 /nfs/dbraw/zinc/85/96/77/1061859677.db2.gz OQETURNOSFIMAI-RBUKOAKNSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CCCCOc1ccccc1 ZINC001253257033 1061860102 /nfs/dbraw/zinc/86/01/02/1061860102.db2.gz KCXFCYQRXHWPKY-IBGZPJMESA-N 1 0 319.489 4.323 20 30 DIEDRO C=CCCn1cc(C[N@@H+](CC2CCC2)[C@@H](C)c2ccccc2)nn1 ZINC001474317199 1061892232 /nfs/dbraw/zinc/89/22/32/1061892232.db2.gz JYDFNTXKVNODMY-KRWDZBQOSA-N 1 0 324.472 4.218 20 30 DIEDRO CCN(Cc1ccc(C#N)c(F)c1)Cc1ccccc1Cl ZINC001474319000 1061893220 /nfs/dbraw/zinc/89/32/20/1061893220.db2.gz LVOXWYHKPLIPMU-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC001474324307 1061909656 /nfs/dbraw/zinc/90/96/56/1061909656.db2.gz QOLBCYLWFPCVGO-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2c1CCC2 ZINC001474327239 1061913368 /nfs/dbraw/zinc/91/33/68/1061913368.db2.gz FUADRXHILIXMOS-UHFFFAOYSA-N 1 0 307.437 4.372 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]CC1CC(=O)C1 ZINC001253563377 1061927752 /nfs/dbraw/zinc/92/77/52/1061927752.db2.gz DTNSOXSWBHZJOI-SFHVURJKSA-N 1 0 311.510 4.227 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]C1CC(CO)C1 ZINC001253565249 1061930004 /nfs/dbraw/zinc/93/00/04/1061930004.db2.gz KSLLYJUDJUQDOJ-ACBHZAAOSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1cn(C)cn1 ZINC001253563627 1061932572 /nfs/dbraw/zinc/93/25/72/1061932572.db2.gz LKXDIZWERTWCHC-IBGZPJMESA-N 1 0 323.525 4.182 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC001474339285 1061937936 /nfs/dbraw/zinc/93/79/36/1061937936.db2.gz HRQGDBYVMZNZEN-ZBFHGGJFSA-N 1 0 306.837 4.123 20 30 DIEDRO C#Cc1ccc(C[N@@H+](CCC)[C@@H]2CCc3ccccc3C2)cc1 ZINC001474341552 1061939450 /nfs/dbraw/zinc/93/94/50/1061939450.db2.gz ZOTSNWHPPMWWOF-JOCHJYFZSA-N 1 0 303.449 4.437 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1OC ZINC001474350100 1061955242 /nfs/dbraw/zinc/95/52/42/1061955242.db2.gz FTPVLSSAABQBBA-OKILXGFUSA-N 1 0 321.848 4.001 20 30 DIEDRO N#Cc1cccc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)n1 ZINC001474353744 1061970556 /nfs/dbraw/zinc/97/05/56/1061970556.db2.gz VCDAQHISVXRGRI-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO CC(C)[C@@H](O)C[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001253766152 1061977823 /nfs/dbraw/zinc/97/78/23/1061977823.db2.gz BVJXRJDFUAKFQR-UTKZUKDTSA-N 1 0 322.452 4.138 20 30 DIEDRO C=CC[N@H+](Cc1coc2ccccc12)Cc1cccc(C#N)c1 ZINC001474382492 1062030755 /nfs/dbraw/zinc/03/07/55/1062030755.db2.gz LFKLGDXGNJFXAF-UHFFFAOYSA-N 1 0 302.377 4.493 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC001254185030 1062042580 /nfs/dbraw/zinc/04/25/80/1062042580.db2.gz TYWWSAICQMYOPI-GFCCVEGCSA-N 1 0 318.779 4.060 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC001474393008 1062045350 /nfs/dbraw/zinc/04/53/50/1062045350.db2.gz GICGJULJGQONCE-LBPRGKRZSA-N 1 0 302.245 4.454 20 30 DIEDRO C(#Cc1ccccc1)C[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC001474395621 1062048194 /nfs/dbraw/zinc/04/81/94/1062048194.db2.gz VVZLGUKIAUOIMD-UHFFFAOYSA-N 1 0 303.449 4.431 20 30 DIEDRO Cc1cccnc1C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254340809 1062079964 /nfs/dbraw/zinc/07/99/64/1062079964.db2.gz AZLYNDCHIKBIRF-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CC23CCCC3)CC1 ZINC001254349572 1062080719 /nfs/dbraw/zinc/08/07/19/1062080719.db2.gz RPVUAMJSVHSKRY-QPIRBTGLSA-N 1 0 312.432 4.452 20 30 DIEDRO C[C@H]1CCC[C@H]1[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254342306 1062081989 /nfs/dbraw/zinc/08/19/89/1062081989.db2.gz NEROJMSLJSDJBA-YUCBAPQESA-N 1 0 300.421 4.308 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)o1 ZINC001254342642 1062082010 /nfs/dbraw/zinc/08/20/10/1062082010.db2.gz RCDLVFUVIBBKPC-UHFFFAOYSA-N 1 0 312.388 4.221 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC001254352869 1062083134 /nfs/dbraw/zinc/08/31/34/1062083134.db2.gz HHWMVMPVVGZBDF-MVYVIFSASA-N 1 0 312.432 4.262 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@H](CF)C2)CC1 ZINC001254356721 1062084068 /nfs/dbraw/zinc/08/40/68/1062084068.db2.gz RXTAVOGRTLUFFJ-VNCLNFNDSA-N 1 0 318.411 4.211 20 30 DIEDRO C[C@@]1(CF)CC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353256 1062084399 /nfs/dbraw/zinc/08/43/99/1062084399.db2.gz YABBHVYLJUDUBJ-XBMUEBEBSA-N 1 0 318.411 4.211 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCCCCC2)CC1 ZINC001254353022 1062085509 /nfs/dbraw/zinc/08/55/09/1062085509.db2.gz NJDVPBILIFAYGB-UHFFFAOYSA-N 1 0 300.421 4.406 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC001254388780 1062091915 /nfs/dbraw/zinc/09/19/15/1062091915.db2.gz IKMVAHHVHOYDLN-LAUBAEHRSA-N 1 0 320.436 4.300 20 30 DIEDRO Cc1ccc(C[N@H+](C)CCCOc2ccccc2C)cc1C#N ZINC001459341936 1062096600 /nfs/dbraw/zinc/09/66/00/1062096600.db2.gz XJUUHESDAVHONR-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](C3CCC4(CC4)CC3)C2)c1 ZINC001254444876 1062106623 /nfs/dbraw/zinc/10/66/23/1062106623.db2.gz BHEWPGGORYCLMD-LJQANCHMSA-N 1 0 310.441 4.124 20 30 DIEDRO CC[N@H+](CCCOc1cccc(C#N)c1)Cc1ccc(C)cc1 ZINC001459364064 1062113538 /nfs/dbraw/zinc/11/35/38/1062113538.db2.gz JYJDYJLOUUEGNB-UHFFFAOYSA-N 1 0 308.425 4.158 20 30 DIEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@H](CC)c1ccccc1 ZINC001459365079 1062114937 /nfs/dbraw/zinc/11/49/37/1062114937.db2.gz BITYQJPOBOFHKN-RTBURBONSA-N 1 0 314.473 4.295 20 30 DIEDRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001474437518 1062115106 /nfs/dbraw/zinc/11/51/06/1062115106.db2.gz ZGISPPISHFIOBK-HZPDHXFCSA-N 1 0 324.472 4.263 20 30 DIEDRO CO[C@@H](C[N@H+](Cc1ccc(C#N)cc1)C(C)C)C1CCCCC1 ZINC001459398142 1062127451 /nfs/dbraw/zinc/12/74/51/1062127451.db2.gz YBADGANRVQFCAB-FQEVSTJZSA-N 1 0 314.473 4.364 20 30 DIEDRO CCCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@H](C)c1ccc(C)o1 ZINC001459443467 1062144115 /nfs/dbraw/zinc/14/41/15/1062144115.db2.gz JEBPLIQIEVKVNF-IAGOWNOFSA-N 1 0 318.461 4.196 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(c3ccc(N(C)C)cc3)CC2)cc1 ZINC001474464190 1062144068 /nfs/dbraw/zinc/14/40/68/1062144068.db2.gz JSIZKJVGYNWHGZ-UHFFFAOYSA-N 1 0 318.464 4.114 20 30 DIEDRO CCCC[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H](C)c1ccc(C)o1 ZINC001459443475 1062144306 /nfs/dbraw/zinc/14/43/06/1062144306.db2.gz JEBPLIQIEVKVNF-IRXDYDNUSA-N 1 0 318.461 4.196 20 30 DIEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001459447958 1062147576 /nfs/dbraw/zinc/14/75/76/1062147576.db2.gz KHNINBKVOKXLBT-WMZOPIPTSA-N 1 0 312.457 4.228 20 30 DIEDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001459447943 1062149643 /nfs/dbraw/zinc/14/96/43/1062149643.db2.gz KHNINBKVOKXLBT-FUHWJXTLSA-N 1 0 312.457 4.228 20 30 DIEDRO C=CC[N@H+](CCC(=O)OCc1ccccc1)CC1CCCCC1 ZINC001459490421 1062164906 /nfs/dbraw/zinc/16/49/06/1062164906.db2.gz SDFQCBHSHPDCQP-UHFFFAOYSA-N 1 0 315.457 4.188 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CC=C)CC2CCCCC2)cc1 ZINC001459490238 1062166501 /nfs/dbraw/zinc/16/65/01/1062166501.db2.gz ROYYUEKRHUMMDN-UHFFFAOYSA-N 1 0 324.468 4.065 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001459494540 1062168494 /nfs/dbraw/zinc/16/84/94/1062168494.db2.gz WUMODQDBFINQSL-MRXNPFEDSA-N 1 0 315.417 4.115 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC001459516085 1062180298 /nfs/dbraw/zinc/18/02/98/1062180298.db2.gz RVOLDACQCRFHLJ-IBGZPJMESA-N 1 0 312.363 4.216 20 30 DIEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001459532131 1062189772 /nfs/dbraw/zinc/18/97/72/1062189772.db2.gz MFOKQZVGQSWLET-RBUKOAKNSA-N 1 0 317.448 4.093 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1c(C)ccc2cc(C)ccc21 ZINC001467729022 1062193406 /nfs/dbraw/zinc/19/34/06/1062193406.db2.gz XIYOBJOAIZLNPQ-UHFFFAOYSA-N 1 0 324.468 4.037 20 30 DIEDRO C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccc(Cl)cc1F ZINC001474516404 1062201548 /nfs/dbraw/zinc/20/15/48/1062201548.db2.gz CXJIOFHKGWEIEQ-IAYQEVDDSA-N 1 0 309.837 4.170 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1Cl ZINC001474520226 1062202204 /nfs/dbraw/zinc/20/22/04/1062202204.db2.gz AVBQHWCVNGJVAX-QGPMSJSTSA-N 1 0 307.865 4.283 20 30 DIEDRO C=CCC1(C[NH2+]Cc2sc(N(C)C)nc2Cl)CCCC1 ZINC001474520637 1062205597 /nfs/dbraw/zinc/20/55/97/1062205597.db2.gz FIUYYOCNRYGVTJ-UHFFFAOYSA-N 1 0 313.898 4.089 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C1 ZINC001254635902 1062208803 /nfs/dbraw/zinc/20/88/03/1062208803.db2.gz GHMMZWPQDOXPNX-ZWKOTPCHSA-N 1 0 306.409 4.303 20 30 DIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC001459561548 1062210671 /nfs/dbraw/zinc/21/06/71/1062210671.db2.gz NIOSHNSBPSYACE-HZPDHXFCSA-N 1 0 308.878 4.318 20 30 DIEDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC001459561542 1062211001 /nfs/dbraw/zinc/21/10/01/1062211001.db2.gz NIOSHNSBPSYACE-HOTGVXAUSA-N 1 0 308.878 4.318 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(-c3ccccc3)cc2)C1 ZINC001254643053 1062211047 /nfs/dbraw/zinc/21/10/47/1062211047.db2.gz ITJFQNORSQLUNO-VQIMIIECSA-N 1 0 306.409 4.014 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001254643428 1062212969 /nfs/dbraw/zinc/21/29/69/1062212969.db2.gz NYZLIJSGLAFVPH-GXSJLCMTSA-N 1 0 302.727 4.141 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCC2)C1 ZINC001254650030 1062213015 /nfs/dbraw/zinc/21/30/15/1062213015.db2.gz XAOYFRJNDAAVSR-ZBFHGGJFSA-N 1 0 322.374 4.452 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CCC(F)(F)CC2)C1 ZINC001254649929 1062213950 /nfs/dbraw/zinc/21/39/50/1062213950.db2.gz WMQSNGBLLYXLAB-SJORKVTESA-N 1 0 318.411 4.459 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CCC(F)(F)CC2)C1 ZINC001254649928 1062214317 /nfs/dbraw/zinc/21/43/17/1062214317.db2.gz WMQSNGBLLYXLAB-IRXDYDNUSA-N 1 0 318.411 4.459 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCOc2ccc(-c3ccccc3)cc2)C1 ZINC001254643051 1062214930 /nfs/dbraw/zinc/21/49/30/1062214930.db2.gz ITJFQNORSQLUNO-LPHOPBHVSA-N 1 0 306.409 4.014 20 30 DIEDRO COc1cccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccccc2)c1 ZINC001254646067 1062215478 /nfs/dbraw/zinc/21/54/78/1062215478.db2.gz JVRYIHAIBQPLPC-XFQXTVEOSA-N 1 0 306.409 4.066 20 30 DIEDRO CC[C@]1(C)CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001459567657 1062216567 /nfs/dbraw/zinc/21/65/67/1062216567.db2.gz WBLFKHBUIIVEER-QGZVFWFLSA-N 1 0 308.372 4.172 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001254659691 1062219085 /nfs/dbraw/zinc/21/90/85/1062219085.db2.gz BFYHYNWPXSJADL-DVOMOZLQSA-N 1 0 319.246 4.278 20 30 DIEDRO C=C(C)CC[N@H+](CC)CCOc1ccc(Br)cc1 ZINC001459578399 1062220824 /nfs/dbraw/zinc/22/08/24/1062220824.db2.gz SOGRRXSMQKOCND-UHFFFAOYSA-N 1 0 312.251 4.116 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)cc1 ZINC001474535300 1062221307 /nfs/dbraw/zinc/22/13/07/1062221307.db2.gz UATYJMRWLYAJDO-IFMALSPDSA-N 1 0 319.448 4.299 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)cc1 ZINC001474535302 1062221929 /nfs/dbraw/zinc/22/19/29/1062221929.db2.gz UATYJMRWLYAJDO-RBBKRZOGSA-N 1 0 319.448 4.299 20 30 DIEDRO N#C[C@@H]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)C1 ZINC001254673494 1062226720 /nfs/dbraw/zinc/22/67/20/1062226720.db2.gz LNIMHTDVTJRPAG-HIFRSBDPSA-N 1 0 311.404 4.112 20 30 DIEDRO N#C[C@H]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3c2cccc3F)C1 ZINC001254674209 1062226954 /nfs/dbraw/zinc/22/69/54/1062226954.db2.gz VPJZALCEQMUSMY-DZGCQCFKSA-N 1 0 311.404 4.112 20 30 DIEDRO N#C[C@H]1CC[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC001254670810 1062227061 /nfs/dbraw/zinc/22/70/61/1062227061.db2.gz MOJBTLMCTMUCJS-SFTDATJTSA-N 1 0 304.437 4.424 20 30 DIEDRO C[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC001254679027 1062228845 /nfs/dbraw/zinc/22/88/45/1062228845.db2.gz JPWNXKICPXXGDE-HUBLWGQQSA-N 1 0 307.235 4.134 20 30 DIEDRO C#C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(Br)cc1 ZINC001474545242 1062241124 /nfs/dbraw/zinc/24/11/24/1062241124.db2.gz CHINOXDZHJKWQB-BBRMVZONSA-N 1 0 304.231 4.069 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)C1 ZINC001474553557 1062253756 /nfs/dbraw/zinc/25/37/56/1062253756.db2.gz PXYSVWHEEZPHPE-KPFFTGBYSA-N 1 0 311.469 4.415 20 30 DIEDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCc2ccc(C#N)cc2)o1 ZINC001459643050 1062272922 /nfs/dbraw/zinc/27/29/22/1062272922.db2.gz IMCXWLZUZIGPKN-HNAYVOBHSA-N 1 0 308.425 4.475 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001254897570 1062274313 /nfs/dbraw/zinc/27/43/13/1062274313.db2.gz XHYOJDNWRNKRCU-RTBURBONSA-N 1 0 314.473 4.016 20 30 DIEDRO COc1ccc(C[C@@H]2CC[N@@H+]2CCC2(C#N)CCCCC2)cc1 ZINC001459646329 1062275814 /nfs/dbraw/zinc/27/58/14/1062275814.db2.gz AAMRQKYBQNATPC-SFHVURJKSA-N 1 0 312.457 4.176 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c1 ZINC001474579552 1062290040 /nfs/dbraw/zinc/29/00/40/1062290040.db2.gz IHRSSMPGITUUMX-GOSISDBHSA-N 1 0 314.432 4.105 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001474579450 1062290916 /nfs/dbraw/zinc/29/09/16/1062290916.db2.gz FWWSMMZFMPVRKM-AWEZNQCLSA-N 1 0 317.354 4.408 20 30 DIEDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1(C)C ZINC001474585197 1062292872 /nfs/dbraw/zinc/29/28/72/1062292872.db2.gz LVXNIMAZTAHYED-GBESFXJTSA-N 1 0 312.457 4.117 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001255018809 1062298746 /nfs/dbraw/zinc/29/87/46/1062298746.db2.gz KXOHIINOJAHXRR-QFBILLFUSA-N 1 0 311.425 4.117 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC001474592025 1062305500 /nfs/dbraw/zinc/30/55/00/1062305500.db2.gz TXMCSTGHTDYHAD-BQLWYNFJSA-N 1 0 319.452 4.330 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255131652 1062320859 /nfs/dbraw/zinc/32/08/59/1062320859.db2.gz PESBLTIOEVNBOT-ACDBMABISA-N 1 0 324.443 4.469 20 30 DIEDRO CC[C@H](CC#N)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC001255173996 1062350738 /nfs/dbraw/zinc/35/07/38/1062350738.db2.gz GVTCYNDWHKBYHM-MRXNPFEDSA-N 1 0 321.262 4.321 20 30 DIEDRO C=CC[N@H+]([C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(C)(C)C ZINC001255149064 1062335784 /nfs/dbraw/zinc/33/57/84/1062335784.db2.gz FAKPMWIOOVQDBH-PMOLBWCYSA-N 1 0 312.501 4.469 20 30 DIEDRO C#CCCCCCC[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC001474624278 1062347887 /nfs/dbraw/zinc/34/78/87/1062347887.db2.gz PDHZDPWFWRHDPG-QGZVFWFLSA-N 1 0 318.892 4.340 20 30 DIEDRO C#CCCCCCC[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001474624277 1062348338 /nfs/dbraw/zinc/34/83/38/1062348338.db2.gz PDHZDPWFWRHDPG-KRWDZBQOSA-N 1 0 318.892 4.340 20 30 DIEDRO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC001459733780 1062348817 /nfs/dbraw/zinc/34/88/17/1062348817.db2.gz KXJMHYFLCMGLGU-OALUTQOASA-N 1 0 314.473 4.168 20 30 DIEDRO CC[C@H](CC#N)[NH2+]C1(Cc2ccccc2C(F)(F)F)CCC1 ZINC001255162314 1062349867 /nfs/dbraw/zinc/34/98/67/1062349867.db2.gz NJHLKNKNDJWILO-CQSZACIVSA-N 1 0 310.363 4.452 20 30 DIEDRO CCCCCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255185364 1062352521 /nfs/dbraw/zinc/35/25/21/1062352521.db2.gz MJVJNSYGCQRSJJ-BCDXTJNWSA-N 1 0 324.509 4.479 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255198950 1062356057 /nfs/dbraw/zinc/35/60/57/1062356057.db2.gz QYIPGUNCCUJKHG-TVFCKZIOSA-N 1 0 324.509 4.477 20 30 DIEDRO C=CC(C)(C)CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC001474642972 1062368150 /nfs/dbraw/zinc/36/81/50/1062368150.db2.gz UXTQLXGCLUBNPZ-UHFFFAOYSA-N 1 0 308.416 4.126 20 30 DIEDRO CCCCCCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC001459758054 1062370764 /nfs/dbraw/zinc/37/07/64/1062370764.db2.gz BLMZPOIYZSWQDE-UHFFFAOYSA-N 1 0 308.441 4.445 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](CC=C)C2)cc1OC ZINC001474647493 1062376667 /nfs/dbraw/zinc/37/66/67/1062376667.db2.gz QIWRXWZDEKZFDU-AWEZNQCLSA-N 1 0 321.848 4.311 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](CC=C)C2)cc1OC ZINC001474647495 1062377418 /nfs/dbraw/zinc/37/74/18/1062377418.db2.gz QIWRXWZDEKZFDU-CQSZACIVSA-N 1 0 321.848 4.311 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC001459769415 1062380840 /nfs/dbraw/zinc/38/08/40/1062380840.db2.gz GZSOWEPETBCGTD-LJQANCHMSA-N 1 0 312.457 4.372 20 30 DIEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H](C)CCCC)C2)CC1 ZINC001255323230 1062397096 /nfs/dbraw/zinc/39/70/96/1062397096.db2.gz OTDNQHCTHNWDSW-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)CCCC)CC2 ZINC001255323575 1062398073 /nfs/dbraw/zinc/39/80/73/1062398073.db2.gz TUTRFZRLANWZIL-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO CC(C)c1ccc(O)c(C[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC001474675634 1062405900 /nfs/dbraw/zinc/40/59/00/1062405900.db2.gz ZWCKJCMZZXFMNQ-UHFFFAOYSA-N 1 0 308.425 4.062 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC001459798502 1062407113 /nfs/dbraw/zinc/40/71/13/1062407113.db2.gz SRPPWTMASDUPCV-VQTJNVASSA-N 1 0 301.474 4.191 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]2CCCC[C@@H]21 ZINC001459805578 1062412706 /nfs/dbraw/zinc/41/27/06/1062412706.db2.gz GZRNOMMIQYJYIL-DAXOMENPSA-N 1 0 320.383 4.170 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC2CCC(C#N)CC2)c1 ZINC001459812260 1062415080 /nfs/dbraw/zinc/41/50/80/1062415080.db2.gz DEJYHERWKHNQGL-QVUWHDNHSA-N 1 0 312.457 4.408 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCC[C@H](C(=O)OCC)C1)c1ccccc1 ZINC001255358404 1062415363 /nfs/dbraw/zinc/41/53/63/1062415363.db2.gz WBASFOBXCAECPN-RCCFBDPRSA-N 1 0 301.430 4.015 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCC[C@@H](C(=O)OCC)C1)c1ccccc1 ZINC001255358400 1062416022 /nfs/dbraw/zinc/41/60/22/1062416022.db2.gz WBASFOBXCAECPN-KZNAEPCWSA-N 1 0 301.430 4.015 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001474697028 1062424036 /nfs/dbraw/zinc/42/40/36/1062424036.db2.gz QMXSHGFNZLHSQK-HUUCEWRRSA-N 1 0 324.509 4.260 20 30 DIEDRO Cc1ccc(C[NH2+]CCc2ccc(C(C)(C)C)cc2)cc1C#N ZINC001474701990 1062429374 /nfs/dbraw/zinc/42/93/74/1062429374.db2.gz RQOAUZCNDWYOFH-UHFFFAOYSA-N 1 0 306.453 4.497 20 30 DIEDRO CCCCCCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC001459827938 1062430636 /nfs/dbraw/zinc/43/06/36/1062430636.db2.gz ZFVFVVRJBANGIG-IBGZPJMESA-N 1 0 303.446 4.469 20 30 DIEDRO C=CCOCC[NH2+][C@@H](CC(C)C)c1cc(Cl)ccc1OC ZINC001459846222 1062444510 /nfs/dbraw/zinc/44/45/10/1062444510.db2.gz WEXBVCYDRNMDJG-INIZCTEOSA-N 1 0 311.853 4.228 20 30 DIEDRO CCc1ccc(C(C)(C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC001459847521 1062447343 /nfs/dbraw/zinc/44/73/43/1062447343.db2.gz CMKPQLVUCMVXHC-UHFFFAOYSA-N 1 0 322.452 4.414 20 30 DIEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC001459859198 1062454498 /nfs/dbraw/zinc/45/44/98/1062454498.db2.gz QKONQDUJTOHZPA-MJGOQNOKSA-N 1 0 314.473 4.117 20 30 DIEDRO CC[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)c1cccc([N+](=O)[O-])c1 ZINC001459863499 1062458362 /nfs/dbraw/zinc/45/83/62/1062458362.db2.gz JDJBTGUSRCVZLM-IBGZPJMESA-N 1 0 323.396 4.324 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(C)c(F)c1 ZINC001459877704 1062467311 /nfs/dbraw/zinc/46/73/11/1062467311.db2.gz OYHOCFGIPYKYST-KRWDZBQOSA-N 1 0 300.352 4.386 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](C1CCC(C(F)(F)F)CC1)CC2 ZINC001255514056 1062470301 /nfs/dbraw/zinc/47/03/01/1062470301.db2.gz FHLGNGVPMRKNDC-UHFFFAOYSA-N 1 0 308.347 4.037 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001459892924 1062478071 /nfs/dbraw/zinc/47/80/71/1062478071.db2.gz RTVYZHPVBCQJHE-IAGOWNOFSA-N 1 0 324.509 4.358 20 30 DIEDRO C#CCCCCCC[N@@H+](CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001459904285 1062486573 /nfs/dbraw/zinc/48/65/73/1062486573.db2.gz VRJWISUNZBDPCN-NRFANRHFSA-N 1 0 312.501 4.167 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)ccc1OC(F)(F)F ZINC001255633965 1062491507 /nfs/dbraw/zinc/49/15/07/1062491507.db2.gz YUTHQLRSYWFTFR-ZETCQYMHSA-N 1 0 319.220 4.155 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1c(F)cccc1C(F)(F)F ZINC001255635915 1062492318 /nfs/dbraw/zinc/49/23/18/1062492318.db2.gz JDTSTYNMUOIKPJ-ZETCQYMHSA-N 1 0 303.221 4.275 20 30 DIEDRO C=CCCCCC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC001459925928 1062500173 /nfs/dbraw/zinc/50/01/73/1062500173.db2.gz BLQSUFABKXIYII-INIZCTEOSA-N 1 0 315.379 4.158 20 30 DIEDRO C=CCCCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001459943113 1062511501 /nfs/dbraw/zinc/51/15/01/1062511501.db2.gz BWIPMAGMWXXSFC-QGZVFWFLSA-N 1 0 322.880 4.195 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255692841 1062520150 /nfs/dbraw/zinc/52/01/50/1062520150.db2.gz FQRFDEMPFXGUJT-HEHGZKQESA-N 1 0 308.347 4.256 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)ccc1Cl ZINC001255698280 1062522979 /nfs/dbraw/zinc/52/29/79/1062522979.db2.gz AIQBAPYDYICMTF-STQMWFEESA-N 1 0 316.754 4.422 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(F)c(F)c1 ZINC001459980805 1062541907 /nfs/dbraw/zinc/54/19/07/1062541907.db2.gz QZBCDAHOLZEKHI-YOEHRIQHSA-N 1 0 307.384 4.273 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001255729274 1062550300 /nfs/dbraw/zinc/55/03/00/1062550300.db2.gz GTBVEJZTDHIPSB-LBPRGKRZSA-N 1 0 318.392 4.107 20 30 DIEDRO C=CCOCC[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001459997444 1062556650 /nfs/dbraw/zinc/55/66/50/1062556650.db2.gz MHSLQCJWPBUUQV-INIZCTEOSA-N 1 0 313.363 4.435 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC001255740688 1062565598 /nfs/dbraw/zinc/56/55/98/1062565598.db2.gz PEHKIDIKFAJXAK-LLVKDONJSA-N 1 0 306.431 4.029 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C(C)(C)COCc1ccccc1 ZINC001460013659 1062570933 /nfs/dbraw/zinc/57/09/33/1062570933.db2.gz NLPNBRSAXNCIMB-UHFFFAOYSA-N 1 0 322.452 4.260 20 30 DIEDRO C=CCCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001460024550 1062578517 /nfs/dbraw/zinc/57/85/17/1062578517.db2.gz XBMCQLGHWJNATR-INIZCTEOSA-N 1 0 324.509 4.358 20 30 DIEDRO CC(C)C[C@@H](C)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001460046420 1062596754 /nfs/dbraw/zinc/59/67/54/1062596754.db2.gz FOXCFYBFXNPZKA-MRXNPFEDSA-N 1 0 300.446 4.084 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C[C@H]1OC ZINC001460062841 1062608819 /nfs/dbraw/zinc/60/88/19/1062608819.db2.gz GUDOIPQUUXETOB-QZTJIDSGSA-N 1 0 314.473 4.171 20 30 DIEDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC001460077312 1062617486 /nfs/dbraw/zinc/61/74/86/1062617486.db2.gz APIMSCQSXYCJBY-IRXDYDNUSA-N 1 0 302.487 4.252 20 30 DIEDRO CCCCO[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1(C)C ZINC001460081403 1062620356 /nfs/dbraw/zinc/62/03/56/1062620356.db2.gz YFSZRIWDNSOCDG-ROUUACIJSA-N 1 0 319.876 4.265 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC001460081434 1062622487 /nfs/dbraw/zinc/62/24/87/1062622487.db2.gz ZDWDAMLXLFLRKJ-KRWDZBQOSA-N 1 0 303.446 4.285 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CCCCC1(C)C ZINC001460085675 1062623711 /nfs/dbraw/zinc/62/37/11/1062623711.db2.gz IHPNAUQBBIDAPX-INIZCTEOSA-N 1 0 305.462 4.366 20 30 DIEDRO Cc1cccc(C)c1OCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC001460090356 1062629363 /nfs/dbraw/zinc/62/93/63/1062629363.db2.gz RLUPBRBYMULFLC-KRWDZBQOSA-N 1 0 308.425 4.295 20 30 DIEDRO C=C(CC)C[NH2+][C@@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC001460107219 1062642309 /nfs/dbraw/zinc/64/23/09/1062642309.db2.gz UNVMLGKPERSQIY-HNNXBMFYSA-N 1 0 301.352 4.339 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001460135149 1062654559 /nfs/dbraw/zinc/65/45/59/1062654559.db2.gz MPGAQDNXBQVXLN-FQEVSTJZSA-N 1 0 320.436 4.207 20 30 DIEDRO C=CC[C@H](C)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460141458 1062658069 /nfs/dbraw/zinc/65/80/69/1062658069.db2.gz NRVQOZSZRKJERV-JTQLQIEISA-N 1 0 304.381 4.306 20 30 DIEDRO Cc1cccc2c1CC(C)(C)[N@H+](CCOc1ccccc1C#N)C2 ZINC001460139391 1062658082 /nfs/dbraw/zinc/65/80/82/1062658082.db2.gz LJHWCSTXZYCLDA-UHFFFAOYSA-N 1 0 320.436 4.082 20 30 DIEDRO C[N@H+](CCC1(C#N)CCCCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC001460140730 1062658633 /nfs/dbraw/zinc/65/86/33/1062658633.db2.gz CVCDCKNSXQPOOV-QGZVFWFLSA-N 1 0 320.864 4.169 20 30 DIEDRO C=CCC[N@H+]1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC001460146723 1062663861 /nfs/dbraw/zinc/66/38/61/1062663861.db2.gz VNBLFIVRPWQALC-OAQYLSRUSA-N 1 0 314.517 4.228 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](Cc3ccc(C#N)cc3OC)C2)cc1 ZINC001460169966 1062675835 /nfs/dbraw/zinc/67/58/35/1062675835.db2.gz ZUJMOUOYVDTCTL-IBGZPJMESA-N 1 0 320.436 4.119 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]CC1(C#N)CCCC1 ZINC001256176026 1062743007 /nfs/dbraw/zinc/74/30/07/1062743007.db2.gz YJIBTRGUSWOJSU-CYBMUJFWSA-N 1 0 321.262 4.054 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC001470297606 1062745417 /nfs/dbraw/zinc/74/54/17/1062745417.db2.gz PMEOOUJHQDVRTC-MSOLQXFVSA-N 1 0 310.526 4.220 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1c(F)cccc1F ZINC001460276985 1062749173 /nfs/dbraw/zinc/74/91/73/1062749173.db2.gz HGRYBGRSOSARKV-CYBMUJFWSA-N 1 0 300.352 4.072 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001256214386 1062749269 /nfs/dbraw/zinc/74/92/69/1062749269.db2.gz KJNNWOOQMFYWCU-CQSZACIVSA-N 1 0 308.263 4.163 20 30 DIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]CC1(C#N)CCC1 ZINC001256213952 1062750374 /nfs/dbraw/zinc/75/03/74/1062750374.db2.gz CYAIQPRAFQZRBQ-CYBMUJFWSA-N 1 0 321.262 4.054 20 30 DIEDRO C#CC1([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC001256305658 1062770857 /nfs/dbraw/zinc/77/08/57/1062770857.db2.gz DYZXPBXDQLSISX-UHFFFAOYSA-N 1 0 316.876 4.235 20 30 DIEDRO CCc1ccc(CC[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC001460309471 1062770820 /nfs/dbraw/zinc/77/08/20/1062770820.db2.gz LNUUBAWXGJQVLU-UHFFFAOYSA-N 1 0 304.437 4.332 20 30 DIEDRO C[C@H]1C[N@H+](CC2CCC(C#N)CC2)CCc2ccc(F)cc21 ZINC001460331950 1062785137 /nfs/dbraw/zinc/78/51/37/1062785137.db2.gz HQBKRRQLUGMUST-FHERZECASA-N 1 0 300.421 4.117 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001460337110 1062788980 /nfs/dbraw/zinc/78/89/80/1062788980.db2.gz KGOFLOXVGVYGLE-GOSISDBHSA-N 1 0 307.865 4.370 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC001460343130 1062795473 /nfs/dbraw/zinc/79/54/73/1062795473.db2.gz NHEBOFPDWPYLMZ-QGZVFWFLSA-N 1 0 318.848 4.397 20 30 DIEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC(C)(C)CC(C)(C)C1 ZINC001460394290 1062832390 /nfs/dbraw/zinc/83/23/90/1062832390.db2.gz XWRKNTLKDKDJSS-GOSISDBHSA-N 1 0 314.473 4.128 20 30 DIEDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001460399144 1062833015 /nfs/dbraw/zinc/83/30/15/1062833015.db2.gz CMHPUGLPPSLILN-UXHICEINSA-N 1 0 320.436 4.046 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC001460406623 1062837972 /nfs/dbraw/zinc/83/79/72/1062837972.db2.gz DFSBBDCLVJGFOS-HOCLYGCPSA-N 1 0 320.864 4.393 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)OC)c1Cl ZINC001460411592 1062841315 /nfs/dbraw/zinc/84/13/15/1062841315.db2.gz RGZANNHEFIXRGZ-BBRMVZONSA-N 1 0 321.848 4.351 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001460410314 1062842783 /nfs/dbraw/zinc/84/27/83/1062842783.db2.gz NYAASFHNDGRPCO-MAUKXSAKSA-N 1 0 323.440 4.074 20 30 DIEDRO CCCCN(CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256549268 1062869066 /nfs/dbraw/zinc/86/90/66/1062869066.db2.gz GBSHVMCEVLRZKZ-QUCCMNQESA-N 1 0 313.489 4.055 20 30 DIEDRO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001460495885 1062886181 /nfs/dbraw/zinc/88/61/81/1062886181.db2.gz AIGSVYBZQWRCGU-GOSISDBHSA-N 1 0 320.477 4.047 20 30 DIEDRO Clc1ccc(C#CC[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)cc1 ZINC001460615668 1062937698 /nfs/dbraw/zinc/93/76/98/1062937698.db2.gz AZSWJKURPNUQDX-NRSPTQNISA-N 1 0 321.851 4.427 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC001256784491 1062973802 /nfs/dbraw/zinc/97/38/02/1062973802.db2.gz IGZZOEDUPYHJLD-UIAACRFSSA-N 1 0 306.409 4.129 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256793445 1062981712 /nfs/dbraw/zinc/98/17/12/1062981712.db2.gz PGXOBJRNELSVCL-DUXKGJEZSA-N 1 0 318.420 4.055 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256806835 1062995298 /nfs/dbraw/zinc/99/52/98/1062995298.db2.gz JZKNBJRDWBOBSC-RTWAWAEBSA-N 1 0 320.436 4.323 20 30 DIEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@]1(CC)CCc1ccccc1 ZINC001460707731 1063002956 /nfs/dbraw/zinc/00/29/56/1063002956.db2.gz JVEQIXYVGMJTNZ-VQTJNVASSA-N 1 0 301.474 4.191 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cc(C(=O)OC)co1)c1ccccc1 ZINC001460712006 1063007368 /nfs/dbraw/zinc/00/73/68/1063007368.db2.gz SKILGOVTKSYCNT-SFHVURJKSA-N 1 0 313.397 4.253 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCN(C2CCCC2)C1)c1cccc(C#N)c1 ZINC001256905125 1063040755 /nfs/dbraw/zinc/04/07/55/1063040755.db2.gz QABBKQNLEJEVCQ-UYAOXDASSA-N 1 0 311.473 4.006 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001256953939 1063057426 /nfs/dbraw/zinc/05/74/26/1063057426.db2.gz TXZHJLRSXVBGGG-UHFFFAOYSA-N 1 0 300.299 4.016 20 30 DIEDRO N#CC1CCC([NH2+][C@H](c2ccccc2)[C@H](N)c2ccccc2)CC1 ZINC001256950309 1063059850 /nfs/dbraw/zinc/05/98/50/1063059850.db2.gz CBLHFECERWVWCZ-PUPGKCOFSA-N 1 0 319.452 4.100 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC001256951151 1063059928 /nfs/dbraw/zinc/05/99/28/1063059928.db2.gz YVBWOGKZDZJNDD-UHFFFAOYSA-N 1 0 318.420 4.090 20 30 DIEDRO N#CC1CCC([NH2+][C@@H]2CCc3c2cccc3OC(F)(F)F)CC1 ZINC001256957901 1063059952 /nfs/dbraw/zinc/05/99/52/1063059952.db2.gz LLYRBIYIHKQWKP-KOHJWAIASA-N 1 0 324.346 4.244 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001256950899 1063060065 /nfs/dbraw/zinc/06/00/65/1063060065.db2.gz PXQKNVUPRVGBSH-UHFFFAOYSA-N 1 0 300.299 4.016 20 30 DIEDRO N#CC1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cn2)C2CC2)CC1 ZINC001256962430 1063063078 /nfs/dbraw/zinc/06/30/78/1063063078.db2.gz LCWYDKWELJTWOY-INORYPFCSA-N 1 0 323.362 4.223 20 30 DIEDRO N#CC1CCC(n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)CC1 ZINC001256970015 1063064490 /nfs/dbraw/zinc/06/44/90/1063064490.db2.gz SABAMNROHXJKEX-VMBOVVBDSA-N 1 0 308.429 4.106 20 30 DIEDRO N#CC1CCC([N@@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC001256973653 1063064783 /nfs/dbraw/zinc/06/47/83/1063064783.db2.gz VIURKOBRWXSKOJ-PVARCSIZSA-N 1 0 318.848 4.266 20 30 DIEDRO Cc1ccnc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001257008145 1063075897 /nfs/dbraw/zinc/07/58/97/1063075897.db2.gz HVCDRTZVYSCYPJ-UHFFFAOYSA-N 1 0 305.425 4.078 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]C3CCSCC3)CC2)cc1 ZINC001257011513 1063077198 /nfs/dbraw/zinc/07/71/98/1063077198.db2.gz QWVVVRDNSDSDAR-UHFFFAOYSA-N 1 0 300.471 4.070 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1ccc(F)cn1 ZINC001257011610 1063078173 /nfs/dbraw/zinc/07/81/73/1063078173.db2.gz VJOOAQRSRIFJKC-ZCGYKAAXSA-N 1 0 323.415 4.469 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]C[C@@H]3CCC[C@H]3F)CC2)cc1 ZINC001257010106 1063078815 /nfs/dbraw/zinc/07/88/15/1063078815.db2.gz SVWMEUUDIKXISU-VLOYRQLPSA-N 1 0 300.421 4.312 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@@]4(CC4(F)F)C3)CC2)cc1 ZINC001257020690 1063083466 /nfs/dbraw/zinc/08/34/66/1063083466.db2.gz IFJHGTQGCXIBFN-DAWZGUTISA-N 1 0 316.395 4.316 20 30 DIEDRO CC(=O)[C@H]1CCCC[N@@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257020082 1063084182 /nfs/dbraw/zinc/08/41/82/1063084182.db2.gz ZEVSXDAYXICOOI-SOAGJPPSSA-N 1 0 310.441 4.028 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@]4(CC4(F)F)C3)CC2)cc1 ZINC001257020686 1063084228 /nfs/dbraw/zinc/08/42/28/1063084228.db2.gz IFJHGTQGCXIBFN-ABHNRTSZSA-N 1 0 316.395 4.316 20 30 DIEDRO C[NH2+]Cc1cccc(NC2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001257019633 1063085635 /nfs/dbraw/zinc/08/56/35/1063085635.db2.gz SCRWCVRARFAKCP-UHFFFAOYSA-N 1 0 319.452 4.416 20 30 DIEDRO C#CC[N@H+](C[C@@H]1CCC2(CCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001460839920 1063094380 /nfs/dbraw/zinc/09/43/80/1063094380.db2.gz XVLGHEZVUZBMBI-AZUAARDMSA-N 1 0 309.453 4.101 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001460857503 1063103609 /nfs/dbraw/zinc/10/36/09/1063103609.db2.gz AZWCNTSMBPDXOC-WMZOPIPTSA-N 1 0 300.833 4.222 20 30 DIEDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC001460864970 1063105761 /nfs/dbraw/zinc/10/57/61/1063105761.db2.gz HIVMCSGXEIPZAI-FQEVSTJZSA-N 1 0 304.437 4.369 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)cc1C ZINC001460866782 1063109413 /nfs/dbraw/zinc/10/94/13/1063109413.db2.gz XNNVYKIAIWAXFX-MRXNPFEDSA-N 1 0 308.425 4.343 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001460874563 1063112049 /nfs/dbraw/zinc/11/20/49/1063112049.db2.gz QNLHEGRUGKBPDH-ZAHGZRRWSA-N 1 0 318.420 4.245 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001460878161 1063112741 /nfs/dbraw/zinc/11/27/41/1063112741.db2.gz FTPOVAYVRKXBPA-DLBZAZTESA-N 1 0 324.509 4.216 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC001460887474 1063118173 /nfs/dbraw/zinc/11/81/73/1063118173.db2.gz VGLNUANUESEOKO-HNNXBMFYSA-N 1 0 319.246 4.251 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC001460904312 1063126324 /nfs/dbraw/zinc/12/63/24/1063126324.db2.gz FYCJEWPMNCAGDB-LJQANCHMSA-N 1 0 322.452 4.428 20 30 DIEDRO C=CC[NH+](CC=C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1 ZINC001257195125 1063133635 /nfs/dbraw/zinc/13/36/35/1063133635.db2.gz GWUTXIJZWKVNJQ-IRXDYDNUSA-N 1 0 322.493 4.085 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460946171 1063150507 /nfs/dbraw/zinc/15/05/07/1063150507.db2.gz HVJCIQLBQHMZQG-OXQOHEQNSA-N 1 0 306.409 4.083 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[N@@H+]3CCC[C@@H](C#N)C3)ccc2c1 ZINC001257280713 1063177019 /nfs/dbraw/zinc/17/70/19/1063177019.db2.gz DXHXKAWYSFXXOK-WMZOPIPTSA-N 1 0 322.452 4.405 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nnc([C@H]2C[C@@H]2c2ccc(C)cc2)o1 ZINC001257289077 1063179660 /nfs/dbraw/zinc/17/96/60/1063179660.db2.gz OFWZRCJHJDFQTG-MSOLQXFVSA-N 1 0 323.440 4.148 20 30 DIEDRO CC(C)[C@@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)c1ccccc1 ZINC001461019596 1063193692 /nfs/dbraw/zinc/19/36/92/1063193692.db2.gz PXGPWLWSUURKJQ-HXUWFJFHSA-N 1 0 321.468 4.154 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C(CCC)CCC)CCO2 ZINC001257337136 1063218603 /nfs/dbraw/zinc/21/86/03/1063218603.db2.gz RFPZFCMRIRGWFN-IEBWSBKVSA-N 1 0 309.494 4.029 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H](C)CCCCCC)CCC2 ZINC001257364849 1063230384 /nfs/dbraw/zinc/23/03/84/1063230384.db2.gz DHZYVTNDAQLBEY-KRWDZBQOSA-N 1 0 319.493 4.150 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](C)CCCCCC)CC2 ZINC001257365683 1063235012 /nfs/dbraw/zinc/23/50/12/1063235012.db2.gz NVKVKBHZPSKPIC-AZUAARDMSA-N 1 0 320.521 4.378 20 30 DIEDRO CCCCCC1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001257374280 1063242095 /nfs/dbraw/zinc/24/20/95/1063242095.db2.gz WBADDIMRGQASGK-PREGVCBESA-N 1 0 307.503 4.400 20 30 DIEDRO CCCCOC(=O)CC[C@H](C)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC001257385849 1063248286 /nfs/dbraw/zinc/24/82/86/1063248286.db2.gz MNMPDTSUFPHUBM-MAUKXSAKSA-N 1 0 316.445 4.111 20 30 DIEDRO C[C@@H](COc1ccc(C(C)(C)C)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC001461095892 1063252149 /nfs/dbraw/zinc/25/21/49/1063252149.db2.gz PHMYCYNGVQYRCM-INIZCTEOSA-N 1 0 322.452 4.413 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)c1ccc(C#N)cc1 ZINC001461110575 1063258992 /nfs/dbraw/zinc/25/89/92/1063258992.db2.gz QTUBIYIRIRTGJK-SNVBAGLBSA-N 1 0 320.223 4.298 20 30 DIEDRO CCCC[C@@H](CC)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001257413620 1063262821 /nfs/dbraw/zinc/26/28/21/1063262821.db2.gz FNVDFNNNJCBZDD-LJQANCHMSA-N 1 0 313.489 4.081 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001461121543 1063271926 /nfs/dbraw/zinc/27/19/26/1063271926.db2.gz OZEDHSXBSFLTHZ-DVOMOZLQSA-N 1 0 313.363 4.073 20 30 DIEDRO Cc1ccc(OCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC001461123821 1063273897 /nfs/dbraw/zinc/27/38/97/1063273897.db2.gz KCRMEHRTQYRONJ-UHFFFAOYSA-N 1 0 322.452 4.355 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3cc(C)cc(F)c3C#N)C2)cc1 ZINC001472859227 1063286857 /nfs/dbraw/zinc/28/68/57/1063286857.db2.gz CUEYZUVRJSAWLJ-KRWDZBQOSA-N 1 0 323.415 4.001 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CC(C)(C)c2ccc(C)cc2)cc1 ZINC001461155375 1063299938 /nfs/dbraw/zinc/29/99/38/1063299938.db2.gz GJFFBBUZDOMIMX-UHFFFAOYSA-N 1 0 307.437 4.074 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001461167762 1063305461 /nfs/dbraw/zinc/30/54/61/1063305461.db2.gz KLHLWGKXORGDIK-BRWVUGGUSA-N 1 0 322.493 4.110 20 30 DIEDRO CCCCC[C@@H](C)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001257514083 1063322206 /nfs/dbraw/zinc/32/22/06/1063322206.db2.gz AXLVWPXJELJPIN-MRXNPFEDSA-N 1 0 300.446 4.370 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)CCCCC)[C@H]2CC ZINC001257513975 1063322721 /nfs/dbraw/zinc/32/27/21/1063322721.db2.gz ZPWSMLCCMBCBGF-HBFSDRIKSA-N 1 0 320.521 4.377 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)CCCCC)[C@@H]2CC ZINC001257512088 1063322976 /nfs/dbraw/zinc/32/29/76/1063322976.db2.gz ZPWSMLCCMBCBGF-GGPKGHCWSA-N 1 0 320.521 4.377 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001257548423 1063328587 /nfs/dbraw/zinc/32/85/87/1063328587.db2.gz VNBCQLYYIZSBKH-KRWDZBQOSA-N 1 0 306.494 4.394 20 30 DIEDRO CCCCCCCCCC[C@@H](C)NC1(C#N)CC[NH+](C)CC1 ZINC001257550533 1063331522 /nfs/dbraw/zinc/33/15/22/1063331522.db2.gz OMYOXXCBKPTKNK-GOSISDBHSA-N 1 0 307.526 4.483 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001257550687 1063333200 /nfs/dbraw/zinc/33/32/00/1063333200.db2.gz QURRRFLEMVAKTH-QGZVFWFLSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH2+]C1CCN(C2COC2)CC1 ZINC001257550865 1063333531 /nfs/dbraw/zinc/33/35/31/1063333531.db2.gz XAJHTWUNKPCSTC-GOSISDBHSA-N 1 0 324.553 4.359 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC001257567844 1063337724 /nfs/dbraw/zinc/33/77/24/1063337724.db2.gz LQPJMCRLJVXDKH-ZDUSSCGKSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H](SCC[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC001473023164 1063363042 /nfs/dbraw/zinc/36/30/42/1063363042.db2.gz AAUNLOCRELYTSD-MRXNPFEDSA-N 1 0 310.466 4.484 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](SCC)C2)cc1 ZINC001461272135 1063380923 /nfs/dbraw/zinc/38/09/23/1063380923.db2.gz CJQZLPKMNPXVQV-MJGOQNOKSA-N 1 0 317.498 4.243 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2CCC(OCc3ccccc3)CC2)c1 ZINC001257819234 1063394042 /nfs/dbraw/zinc/39/40/42/1063394042.db2.gz NBZLIODDEVYAMR-UHFFFAOYSA-N 1 0 320.436 4.176 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC)C1 ZINC001461299567 1063401338 /nfs/dbraw/zinc/40/13/38/1063401338.db2.gz BRZPRIDHDOMUTM-DOMZBBRYSA-N 1 0 324.262 4.292 20 30 DIEDRO CCC[N@H+](CCc1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC001473106894 1063406465 /nfs/dbraw/zinc/40/64/65/1063406465.db2.gz ZODRGGXQBYQEFE-UHFFFAOYSA-N 1 0 314.379 4.291 20 30 DIEDRO COc1ccc(C[NH2+]CC2(Cc3ccccc3)CCC2)cc1C#N ZINC001461317973 1063414707 /nfs/dbraw/zinc/41/47/07/1063414707.db2.gz RRXOJZXTCADHCX-UHFFFAOYSA-N 1 0 320.436 4.069 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccc(C(F)(F)F)nc3)C[C@H](C1)C2 ZINC001257886919 1063424771 /nfs/dbraw/zinc/42/47/71/1063424771.db2.gz PRKVGFPIQAMDMP-YIONKMFJSA-N 1 0 310.363 4.325 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CC(C)(C)c3cc(OC)ccn3)C[C@H](C1)C2 ZINC001257890403 1063428690 /nfs/dbraw/zinc/42/86/90/1063428690.db2.gz KHFYHBDOIHYTKB-SJPCQFCGSA-N 1 0 314.473 4.092 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CC(C)(C)c3ccc(F)cn3)C[C@H](C1)C2 ZINC001257890689 1063428765 /nfs/dbraw/zinc/42/87/65/1063428765.db2.gz VUBRLURZPBLMEP-FKEKPDDDSA-N 1 0 302.437 4.223 20 30 DIEDRO C=C1C[C@@H]2CC([NH+]3CCC4(CC(F)(F)CO4)CC3)C[C@H](C1)C2 ZINC001257890817 1063429108 /nfs/dbraw/zinc/42/91/08/1063429108.db2.gz BBHWNYDSHULCFH-XYPWUTKMSA-N 1 0 311.416 4.012 20 30 DIEDRO C=CC[N@@H+](Cc1cc(=O)oc2cc(CC)c(Cl)cc12)C(C)C ZINC001473126280 1063431211 /nfs/dbraw/zinc/43/12/11/1063431211.db2.gz JJSAULNRUAWAAM-UHFFFAOYSA-N 1 0 319.832 4.405 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3CCCC[C@H]3CN3CCCC3)C[C@H](C1)C2 ZINC001257893034 1063431681 /nfs/dbraw/zinc/43/16/81/1063431681.db2.gz KWZXVXBGLXYVTD-COHPWVSRSA-N 1 0 302.506 4.072 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H](CC(=O)OC(C)(C)C)C3)C[C@H](C1)C2 ZINC001257895207 1063431798 /nfs/dbraw/zinc/43/17/98/1063431798.db2.gz LJYSWIWCVGKANX-HRBLRVMOSA-N 1 0 319.489 4.175 20 30 DIEDRO C=C1C[C@@H]2CC([NH+]3CCC(Oc4ccncc4)CC3)C[C@H](C1)C2 ZINC001257891680 1063431959 /nfs/dbraw/zinc/43/19/59/1063431959.db2.gz MOSXKKGBAMPHAL-JWTNVVGKSA-N 1 0 312.457 4.060 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC001473129021 1063432454 /nfs/dbraw/zinc/43/24/54/1063432454.db2.gz UFTKIJPPJMEVDP-UHFFFAOYSA-N 1 0 321.468 4.282 20 30 DIEDRO C=CC[N@H+](CCSCc1ccccc1)Cc1cccc(C#N)c1 ZINC001473131939 1063436964 /nfs/dbraw/zinc/43/69/64/1063436964.db2.gz QTNZETCPDTXCJW-UHFFFAOYSA-N 1 0 322.477 4.480 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001473132168 1063440592 /nfs/dbraw/zinc/44/05/92/1063440592.db2.gz UTZKJNCCXIAPIA-VQTJNVASSA-N 1 0 306.384 4.241 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001473132166 1063441912 /nfs/dbraw/zinc/44/19/12/1063441912.db2.gz UTZKJNCCXIAPIA-PMACEKPBSA-N 1 0 306.384 4.241 20 30 DIEDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001473135236 1063444799 /nfs/dbraw/zinc/44/47/99/1063444799.db2.gz DNFUHVHPKJMMHJ-IBGZPJMESA-N 1 0 304.437 4.473 20 30 DIEDRO C=CCCCCC[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001473153334 1063455447 /nfs/dbraw/zinc/45/54/47/1063455447.db2.gz CERVTNVEPPSADH-UHFFFAOYSA-N 1 0 300.490 4.329 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCCC3(CCCCC3)C2)cc1 ZINC001473151829 1063457128 /nfs/dbraw/zinc/45/71/28/1063457128.db2.gz JKINZPWZKMVGNE-UHFFFAOYSA-N 1 0 312.457 4.373 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC001258004120 1063457653 /nfs/dbraw/zinc/45/76/53/1063457653.db2.gz CJSLBQUQJYRNIM-KRWDZBQOSA-N 1 0 316.489 4.022 20 30 DIEDRO CCc1cccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC001473155025 1063458723 /nfs/dbraw/zinc/45/87/23/1063458723.db2.gz KUVFXDBYBOKMJE-UHFFFAOYSA-N 1 0 320.436 4.164 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001461384951 1063464057 /nfs/dbraw/zinc/46/40/57/1063464057.db2.gz DGUWUVYYCOUIRG-MAUKXSAKSA-N 1 0 315.457 4.476 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)CCO1 ZINC001461386119 1063465483 /nfs/dbraw/zinc/46/54/83/1063465483.db2.gz AFDVTWGXTRODRD-ICSRJNTNSA-N 1 0 314.473 4.249 20 30 DIEDRO C=CC[N@@H+](C[C@H](O)[C@H](C)c1ccccc1)CC1CCCCC1 ZINC001473164595 1063469260 /nfs/dbraw/zinc/46/92/60/1063469260.db2.gz XXYAGKZOTONVPG-XLIONFOSSA-N 1 0 301.474 4.219 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C1CCC(CC(=O)OCC)CC1 ZINC001258034394 1063470147 /nfs/dbraw/zinc/47/01/47/1063470147.db2.gz VUHSUAYBEWFEKJ-UHFFFAOYSA-N 1 0 315.457 4.187 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](CC(=O)OCC)c1cccnc1 ZINC001258038697 1063472238 /nfs/dbraw/zinc/47/22/38/1063472238.db2.gz CNROFXHYPWSFPG-FUHWJXTLSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](COC)[C@@H](O)c1ccccc1 ZINC001258041263 1063473046 /nfs/dbraw/zinc/47/30/46/1063473046.db2.gz RBXBUTYLCOXZMZ-NEWSRXKRSA-N 1 0 307.478 4.074 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(CC)CC)C1 ZINC001258040489 1063473237 /nfs/dbraw/zinc/47/32/37/1063473237.db2.gz DRFMYKXGCVVUHL-FUHWJXTLSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](CCO)c1cccc(OC)c1 ZINC001258042223 1063474553 /nfs/dbraw/zinc/47/45/53/1063474553.db2.gz JQUWISWIFPZWSM-VQIMIIECSA-N 1 0 307.478 4.457 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C(C)C)CC1 ZINC001258042982 1063474643 /nfs/dbraw/zinc/47/46/43/1063474643.db2.gz GFCCZQKBLMMKBB-BZSNNMDCSA-N 1 0 310.526 4.408 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](CC(=O)OC)c1ccccn1 ZINC001258041330 1063475101 /nfs/dbraw/zinc/47/51/01/1063475101.db2.gz RNJALNXQSHJPDO-WBVHZDCISA-N 1 0 306.450 4.024 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CCc1ccc(C(=O)N(C)C)cc1 ZINC001258042889 1063475525 /nfs/dbraw/zinc/47/55/25/1063475525.db2.gz CWBQUDQRZKUEAJ-KRWDZBQOSA-N 1 0 318.505 4.270 20 30 DIEDRO CCCCCCC[C@@H](C)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258041600 1063475946 /nfs/dbraw/zinc/47/59/46/1063475946.db2.gz XFYSYDAYEHCLTQ-KZNAEPCWSA-N 1 0 318.509 4.302 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC001258045125 1063477183 /nfs/dbraw/zinc/47/71/83/1063477183.db2.gz WTUWPBMIAWAUFQ-FGTMMUONSA-N 1 0 316.489 4.016 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H](C)CCCCCCC)C2)C1=O ZINC001258043681 1063477676 /nfs/dbraw/zinc/47/76/76/1063477676.db2.gz FKNYNWMXDBNHTL-QUCCMNQESA-N 1 0 320.521 4.236 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2nn(CC)cc2[C@@H](COC)C1 ZINC001258045285 1063477830 /nfs/dbraw/zinc/47/78/30/1063477830.db2.gz YUTFPDVLQADZCA-IAGOWNOFSA-N 1 0 321.509 4.198 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC001258043560 1063478004 /nfs/dbraw/zinc/47/80/04/1063478004.db2.gz DMPRPJDYIHWWPZ-IBGZPJMESA-N 1 0 317.521 4.338 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](CO)c1cccc(COC)c1 ZINC001258044121 1063478041 /nfs/dbraw/zinc/47/80/41/1063478041.db2.gz XWLIBBNZOIHQIK-APWZRJJASA-N 1 0 307.478 4.205 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001258046969 1063478180 /nfs/dbraw/zinc/47/81/80/1063478180.db2.gz GKAJDMBOXLDTIK-ROUUACIJSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccc2nnc(CC)n2c1 ZINC001258044236 1063478218 /nfs/dbraw/zinc/47/82/18/1063478218.db2.gz ZMFWICZUAPKAEU-HNNXBMFYSA-N 1 0 302.466 4.130 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(CC)C2=O)C1 ZINC001258046458 1063478616 /nfs/dbraw/zinc/47/86/16/1063478616.db2.gz BHAHLNGJJOKKMM-HKUYNNGSSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC001258045126 1063479107 /nfs/dbraw/zinc/47/91/07/1063479107.db2.gz WTUWPBMIAWAUFQ-OKZBNKHCSA-N 1 0 316.489 4.016 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC001473173504 1063480333 /nfs/dbraw/zinc/48/03/33/1063480333.db2.gz LPQLYVRWJYHNIA-KBXCAEBGSA-N 1 0 324.399 4.084 20 30 DIEDRO CCCCCCC[C@@H](C)n1nc(C(F)(F)F)c2c1C[NH2+]CC2 ZINC001258049592 1063481591 /nfs/dbraw/zinc/48/15/91/1063481591.db2.gz LOGYBZVLSGRVDP-GFCCVEGCSA-N 1 0 317.399 4.469 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001258049481 1063481792 /nfs/dbraw/zinc/48/17/92/1063481792.db2.gz IRXMJHXHHSEXAF-QGZVFWFLSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001258048245 1063481885 /nfs/dbraw/zinc/48/18/85/1063481885.db2.gz RVCYWYFITSURMV-UYAOXDASSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(Oc2cnccn2)CC1 ZINC001258049805 1063482585 /nfs/dbraw/zinc/48/25/85/1063482585.db2.gz OVVKNVVFLUPTEL-MRXNPFEDSA-N 1 0 305.466 4.069 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2)[C@@H]1CC ZINC001258048362 1063482941 /nfs/dbraw/zinc/48/29/41/1063482941.db2.gz UDKXBVHVHPUOFP-AOIWGVFYSA-N 1 0 308.510 4.259 20 30 DIEDRO CCCCCCC[C@@H](C)N(c1cc(C)ncn1)C1CC[NH2+]CC1 ZINC001258052810 1063484369 /nfs/dbraw/zinc/48/43/69/1063484369.db2.gz SNOAUMYPAWGTBQ-QGZVFWFLSA-N 1 0 318.509 4.092 20 30 DIEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC001473178728 1063484656 /nfs/dbraw/zinc/48/46/56/1063484656.db2.gz CKGYJMHJUIGLNI-HZPDHXFCSA-N 1 0 319.876 4.405 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001258052232 1063485705 /nfs/dbraw/zinc/48/57/05/1063485705.db2.gz MXMKPPRCFFZBPD-ZWKOTPCHSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]C1(CO)CCOCC1 ZINC001258053180 1063485834 /nfs/dbraw/zinc/48/58/34/1063485834.db2.gz XDANDWXIIXDZHT-SFHVURJKSA-N 1 0 313.526 4.427 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]CCCc1c[nH][nH]c1=O ZINC001258053267 1063485906 /nfs/dbraw/zinc/48/59/06/1063485906.db2.gz XWQMZKZHGBWLHC-ROUUACIJSA-N 1 0 323.525 4.397 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]C1CC(CO)(CO)C1 ZINC001258052130 1063486011 /nfs/dbraw/zinc/48/60/11/1063486011.db2.gz KWFZFEFCMPHZJZ-QGZVFWFLSA-N 1 0 313.526 4.019 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC001473179887 1063487056 /nfs/dbraw/zinc/48/70/56/1063487056.db2.gz UQVSPHUFJXHGFY-UHFFFAOYSA-N 1 0 316.367 4.201 20 30 DIEDRO C=CCSCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC001461428961 1063497056 /nfs/dbraw/zinc/49/70/56/1063497056.db2.gz VGGJNLLJNFOUMV-UHFFFAOYSA-N 1 0 309.784 4.368 20 30 DIEDRO C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC001473188240 1063497796 /nfs/dbraw/zinc/49/77/96/1063497796.db2.gz WWGQBLTZRYGKLA-QFBILLFUSA-N 1 0 324.424 4.393 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H](C)CCC=C(C)C)C2 ZINC001258091851 1063512605 /nfs/dbraw/zinc/51/26/05/1063512605.db2.gz BUXBCHFRJFSITH-VAMGGRTRSA-N 1 0 321.505 4.195 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC[C@H](C)c2ccccc2)cc1 ZINC001461461744 1063523893 /nfs/dbraw/zinc/52/38/93/1063523893.db2.gz KVMUMPKUOQEIIR-SFHVURJKSA-N 1 0 307.437 4.372 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC001461466151 1063525160 /nfs/dbraw/zinc/52/51/60/1063525160.db2.gz WMZZQDLDYBOAFZ-UHFFFAOYSA-N 1 0 321.399 4.128 20 30 DIEDRO C#CCCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001461489604 1063534422 /nfs/dbraw/zinc/53/44/22/1063534422.db2.gz UIBWZQYMKMJSRT-UHFFFAOYSA-N 1 0 307.315 4.468 20 30 DIEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC001461499032 1063539162 /nfs/dbraw/zinc/53/91/62/1063539162.db2.gz CWOYJYORQURCJH-CYBMUJFWSA-N 1 0 321.873 4.485 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001546327371 1063543879 /nfs/dbraw/zinc/54/38/79/1063543879.db2.gz OFLPUHHWFLJISK-MSOLQXFVSA-N 1 0 308.510 4.070 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC001461514979 1063548709 /nfs/dbraw/zinc/54/87/09/1063548709.db2.gz UPTJZZNGBKRODM-UHFFFAOYSA-N 1 0 320.177 4.106 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC001461521838 1063554478 /nfs/dbraw/zinc/55/44/78/1063554478.db2.gz TVEFSZYXWCTXJX-SJORKVTESA-N 1 0 317.429 4.377 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1nc(Cl)ccc1Br ZINC001461528792 1063562688 /nfs/dbraw/zinc/56/26/88/1063562688.db2.gz CTHRGMPTMAIVBY-UHFFFAOYSA-N 1 0 317.658 4.189 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258224141 1063566584 /nfs/dbraw/zinc/56/65/84/1063566584.db2.gz AMWTYJHVVSXQQP-DNVCBOLYSA-N 1 0 323.477 4.250 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001258229962 1063568032 /nfs/dbraw/zinc/56/80/32/1063568032.db2.gz WCIPOWBJROPKDC-QGZVFWFLSA-N 1 0 309.494 4.340 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001258228253 1063568211 /nfs/dbraw/zinc/56/82/11/1063568211.db2.gz FPWMQWLJVFEFDA-INIZCTEOSA-N 1 0 320.477 4.487 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC001258227599 1063568598 /nfs/dbraw/zinc/56/85/98/1063568598.db2.gz FEYJUPHPNPXXNS-INIZCTEOSA-N 1 0 302.466 4.348 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC001258227601 1063568666 /nfs/dbraw/zinc/56/86/66/1063568666.db2.gz FEYJUPHPNPXXNS-MRXNPFEDSA-N 1 0 302.466 4.348 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001258228250 1063569382 /nfs/dbraw/zinc/56/93/82/1063569382.db2.gz FMBNENAMFIWRFB-QZTJIDSGSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]Cc1cc2n(n1)CCCO2 ZINC001258227793 1063569080 /nfs/dbraw/zinc/56/90/80/1063569080.db2.gz BCWDZWAMFBJVFW-INIZCTEOSA-N 1 0 307.482 4.284 20 30 DIEDRO CCCCCCCCC[C@H](C)n1nc(COC)c2c1C[NH2+]C2 ZINC001258229246 1063569147 /nfs/dbraw/zinc/56/91/47/1063569147.db2.gz OSTQTIGOICIBSX-HNNXBMFYSA-N 1 0 307.482 4.334 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001258228248 1063569186 /nfs/dbraw/zinc/56/91/86/1063569186.db2.gz FMBNENAMFIWRFB-MSOLQXFVSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001258232501 1063570616 /nfs/dbraw/zinc/57/06/16/1063570616.db2.gz SQQIDBJNFMLXRB-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001258232598 1063571378 /nfs/dbraw/zinc/57/13/78/1063571378.db2.gz XIXAWJBRFBPBLD-KRWDZBQOSA-N 1 0 308.510 4.260 20 30 DIEDRO CSC(C)(C)C[C@@H](C)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001258317400 1063608034 /nfs/dbraw/zinc/60/80/34/1063608034.db2.gz YDVUQJXOYAMOPR-SNVBAGLBSA-N 1 0 318.408 4.331 20 30 DIEDRO COc1ccccc1/C=C/C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC001461608635 1063609495 /nfs/dbraw/zinc/60/94/95/1063609495.db2.gz AHMHPDJQYOPFJX-QPJJXVBHSA-N 1 0 318.420 4.249 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCC2CC2)cc1OC ZINC001461606952 1063610031 /nfs/dbraw/zinc/61/00/31/1063610031.db2.gz VALHYQDIMMMOMJ-UHFFFAOYSA-N 1 0 309.837 4.193 20 30 DIEDRO C=CCCC1(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CCCC1 ZINC001461628140 1063623482 /nfs/dbraw/zinc/62/34/82/1063623482.db2.gz FNRMUZUHKQPXLE-UHFFFAOYSA-N 1 0 324.509 4.406 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC001461632379 1063625988 /nfs/dbraw/zinc/62/59/88/1063625988.db2.gz NXIXOFCTAAHOFO-QMTMVMCOSA-N 1 0 315.457 4.243 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C(CCCC)CCCC)C2)C1=O ZINC001258386355 1063628975 /nfs/dbraw/zinc/62/89/75/1063628975.db2.gz XZUBSAHKKNOCQJ-HXUWFJFHSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2=CCCC2)cc1OC ZINC001461644154 1063629957 /nfs/dbraw/zinc/62/99/57/1063629957.db2.gz PVEUORLSXLMYFO-UHFFFAOYSA-N 1 0 307.821 4.113 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)CCCC1 ZINC001461645489 1063631899 /nfs/dbraw/zinc/63/18/99/1063631899.db2.gz LPWYRVIQIHCBAE-UHFFFAOYSA-N 1 0 309.837 4.336 20 30 DIEDRO COc1ccc(CC[C@H](C)NC(=[NH2+])c2ccc(C)c(C)c2)cc1 ZINC001258396278 1063637229 /nfs/dbraw/zinc/63/72/29/1063637229.db2.gz NTDHIQUGZWFJJX-INIZCTEOSA-N 1 0 310.441 4.039 20 30 DIEDRO CC[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001461676095 1063650974 /nfs/dbraw/zinc/65/09/74/1063650974.db2.gz KEYUYFMUSQDRTJ-QFBILLFUSA-N 1 0 311.473 4.085 20 30 DIEDRO C[C@H](CC1CC1)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001258474771 1063669074 /nfs/dbraw/zinc/66/90/74/1063669074.db2.gz XGRNAWGYLNVIDR-CYBMUJFWSA-N 1 0 318.848 4.243 20 30 DIEDRO C[C@@H](CC1CC1)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001258474772 1063669455 /nfs/dbraw/zinc/66/94/55/1063669455.db2.gz XGRNAWGYLNVIDR-ZDUSSCGKSA-N 1 0 318.848 4.243 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(OCCCC)c(OCC)c2)CCCC1 ZINC001461720037 1063678363 /nfs/dbraw/zinc/67/83/63/1063678363.db2.gz ZJECBWLTNOSZCL-UHFFFAOYSA-N 1 0 315.457 4.300 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cc(C)c(C3OCCO3)cc2C)CC1 ZINC001461743359 1063690756 /nfs/dbraw/zinc/69/07/56/1063690756.db2.gz YRYOXMPBVUAHTK-UHFFFAOYSA-N 1 0 315.457 4.185 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1)C(C)(C)C ZINC001258565158 1063696620 /nfs/dbraw/zinc/69/66/20/1063696620.db2.gz UCOVQRMDMXRHKB-OAHLLOKOSA-N 1 0 324.509 4.451 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(-c3ccccc3)cc2OC)CCC1 ZINC001461773338 1063707850 /nfs/dbraw/zinc/70/78/50/1063707850.db2.gz CDDVMIUFYMAWER-UHFFFAOYSA-N 1 0 305.421 4.398 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2C)cc1 ZINC001461796837 1063723491 /nfs/dbraw/zinc/72/34/91/1063723491.db2.gz QDGGAGQEWACCBY-UHFFFAOYSA-N 1 0 313.828 4.340 20 30 DIEDRO C=CCOCc1nn([C@@H](CCC)CCCCC)c2c1C[NH2+]C2 ZINC001258669969 1063736743 /nfs/dbraw/zinc/73/67/43/1063736743.db2.gz VNOXGJOJJAUGOT-HNNXBMFYSA-N 1 0 305.466 4.110 20 30 DIEDRO Cc1cc(N(C)C)ccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001461867568 1063761149 /nfs/dbraw/zinc/76/11/49/1063761149.db2.gz IZTRIRACCAMQEM-UHFFFAOYSA-N 1 0 321.468 4.343 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(OCC)c1 ZINC001461876090 1063767466 /nfs/dbraw/zinc/76/74/66/1063767466.db2.gz RYWPVIAJAPAEII-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@H](O)c1ccncc1 ZINC001258714679 1063770319 /nfs/dbraw/zinc/77/03/19/1063770319.db2.gz TYCXCALIIJYHOD-MOPGFXCFSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+][C@H](CO)c1cccnc1 ZINC001258714328 1063770361 /nfs/dbraw/zinc/77/03/61/1063770361.db2.gz LPAJKBKBSMHZOW-RTBURBONSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001258714774 1063770409 /nfs/dbraw/zinc/77/04/09/1063770409.db2.gz VTCHLIBTQACWNI-IBGZPJMESA-N 1 0 322.537 4.316 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(OC(=O)C(C)(C)C)cc1 ZINC001258717278 1063772201 /nfs/dbraw/zinc/77/22/01/1063772201.db2.gz OBPVNQDFGXMCGY-HNNXBMFYSA-N 1 0 303.446 4.125 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001258716667 1063772302 /nfs/dbraw/zinc/77/23/02/1063772302.db2.gz CZFRHMDUKKPNAY-QFBILLFUSA-N 1 0 324.509 4.358 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]Cc1ccc(OC)nn1 ZINC001258716285 1063773085 /nfs/dbraw/zinc/77/30/85/1063773085.db2.gz WORFFDWVIDSSET-INIZCTEOSA-N 1 0 307.482 4.350 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)n1cc(C[NH3+])c(C)nc1=N ZINC001258714889 1063773469 /nfs/dbraw/zinc/77/34/69/1063773469.db2.gz WYMLTQIWTVKDSC-KRWDZBQOSA-N 1 0 306.498 4.077 20 30 DIEDRO CNc1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001461884281 1063774435 /nfs/dbraw/zinc/77/44/35/1063774435.db2.gz SCIFNSQKVZCTKM-ICSRJNTNSA-N 1 0 305.425 4.000 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001258717573 1063774821 /nfs/dbraw/zinc/77/48/21/1063774821.db2.gz URRBDKBWXPFNHX-YJBOKZPZSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CCOCC1 ZINC001258723140 1063776711 /nfs/dbraw/zinc/77/67/11/1063776711.db2.gz SCVJYOYVHXZRQM-HNNXBMFYSA-N 1 0 307.865 4.376 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2cc(C)cc(F)c2)CC1 ZINC001258723533 1063776992 /nfs/dbraw/zinc/77/69/92/1063776992.db2.gz XGTHHIJTLFXTEY-MRXNPFEDSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC001258722511 1063776998 /nfs/dbraw/zinc/77/69/98/1063776998.db2.gz JHVCZZUGLJWKHW-AWEZNQCLSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC001258721356 1063777082 /nfs/dbraw/zinc/77/70/82/1063777082.db2.gz SUWYUYKURGZNAU-WBMJQRKESA-N 1 0 308.263 4.251 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001258720801 1063777143 /nfs/dbraw/zinc/77/71/43/1063777143.db2.gz GEKZRIPIAKVQRA-HOCLYGCPSA-N 1 0 316.445 4.427 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001258723514 1063777439 /nfs/dbraw/zinc/77/74/39/1063777439.db2.gz WZYMPCYLRQAQRJ-AWEZNQCLSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCCCCO2 ZINC001461889061 1063777845 /nfs/dbraw/zinc/77/78/45/1063777845.db2.gz RSFRUTHBWXCYMW-UHFFFAOYSA-N 1 0 323.436 4.426 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC1(Cc2ccc(F)cc2)CCOCC1 ZINC001258724532 1063778152 /nfs/dbraw/zinc/77/81/52/1063778152.db2.gz ZESKJKVLFLZCAO-INIZCTEOSA-N 1 0 305.437 4.109 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1(CC)CCN(C(=O)OC(C)(C)C)CC1 ZINC001258723810 1063778534 /nfs/dbraw/zinc/77/85/34/1063778534.db2.gz FOBKUDRMTYPEDT-OAHLLOKOSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@H](C)[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC001258732741 1063780572 /nfs/dbraw/zinc/78/05/72/1063780572.db2.gz BQIPPHSFUSQCQO-HNNXBMFYSA-N 1 0 303.446 4.197 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001258728639 1063780643 /nfs/dbraw/zinc/78/06/43/1063780643.db2.gz PNPXGWGCAYHNAR-CQSZACIVSA-N 1 0 301.405 4.100 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001258729451 1063781739 /nfs/dbraw/zinc/78/17/39/1063781739.db2.gz VGFQNSHTNOGBGQ-SXLOBPIMSA-N 1 0 314.473 4.055 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(c2cccc(C(=O)OC)c2)CC1 ZINC001258732009 1063782079 /nfs/dbraw/zinc/78/20/79/1063782079.db2.gz HIUVQUSNWAYYTA-OAHLLOKOSA-N 1 0 301.430 4.007 20 30 DIEDRO C=CCC[C@@H](C)n1nc(C2CC[NH2+]CC2)c2ccc(F)cc21 ZINC001258732945 1063782213 /nfs/dbraw/zinc/78/22/13/1063782213.db2.gz SECCURZZQYMCKF-CYBMUJFWSA-N 1 0 301.409 4.170 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001258730461 1063782338 /nfs/dbraw/zinc/78/23/38/1063782338.db2.gz HTPUSMHYZVHNJD-YZGWKJHDSA-N 1 0 321.505 4.171 20 30 DIEDRO C=CCC[C@H](C)[N@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001258734126 1063783008 /nfs/dbraw/zinc/78/30/08/1063783008.db2.gz SMZXXHRBKAVEBS-GTPINHCMSA-N 1 0 324.509 4.451 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734323 1063783044 /nfs/dbraw/zinc/78/30/44/1063783044.db2.gz WXTWNPKOJBTCML-HZPDHXFCSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC2(CC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001258735782 1063783925 /nfs/dbraw/zinc/78/39/25/1063783925.db2.gz BSZMFPVJTRQJLT-HZPDHXFCSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(COc2ccccc2OC)CC1 ZINC001258733592 1063784551 /nfs/dbraw/zinc/78/45/51/1063784551.db2.gz JGJNPZVKYOHRDH-INIZCTEOSA-N 1 0 303.446 4.141 20 30 DIEDRO CCC[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCc2ccccc2C1 ZINC001461915981 1063796879 /nfs/dbraw/zinc/79/68/79/1063796879.db2.gz WHESRHVNJXQSSN-LJQANCHMSA-N 1 0 322.427 4.467 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](CCC)CCCC)CC2 ZINC001258761604 1063808032 /nfs/dbraw/zinc/80/80/32/1063808032.db2.gz ODTOJZUWXCRWFP-AZUAARDMSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H](CC)C[C@@H](C)CC)C2 ZINC001258790094 1063828640 /nfs/dbraw/zinc/82/86/40/1063828640.db2.gz IEICXKWAFCASKL-CMKODMSKSA-N 1 0 320.521 4.234 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](CC)C[C@H](C)CC)C2 ZINC001258795978 1063832189 /nfs/dbraw/zinc/83/21/89/1063832189.db2.gz VSBTVNSTMLQEMS-YDZRNGNQSA-N 1 0 309.494 4.027 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC001461948154 1063833657 /nfs/dbraw/zinc/83/36/57/1063833657.db2.gz FKKPFRPXMHQEPQ-OAQYLSRUSA-N 1 0 307.412 4.404 20 30 DIEDRO CC(C)C[N@@H+](CC#Cc1ccccc1)CCc1ccc(F)cc1 ZINC001461970075 1063847975 /nfs/dbraw/zinc/84/79/75/1063847975.db2.gz UVDBIZDYZICBCQ-UHFFFAOYSA-N 1 0 309.428 4.378 20 30 DIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001258830334 1063854361 /nfs/dbraw/zinc/85/43/61/1063854361.db2.gz NAHCNCCVTHWLBK-HOTGVXAUSA-N 1 0 300.421 4.262 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+](CC)CC2CC2)cc1OC ZINC001461987038 1063858071 /nfs/dbraw/zinc/85/80/71/1063858071.db2.gz HPVSMVSJUKMHLK-UHFFFAOYSA-N 1 0 309.837 4.145 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC001461990041 1063862601 /nfs/dbraw/zinc/86/26/01/1063862601.db2.gz VRQQRYKKTSNSRO-LEWJYISDSA-N 1 0 302.421 4.350 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)cc1 ZINC001462002418 1063873212 /nfs/dbraw/zinc/87/32/12/1063873212.db2.gz PUUNHMXZKQSQTL-LIRRHRJNSA-N 1 0 313.828 4.187 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC001462016871 1063881227 /nfs/dbraw/zinc/88/12/27/1063881227.db2.gz MNNRXDYNXDKBDF-UHFFFAOYSA-N 1 0 313.397 4.131 20 30 DIEDRO N#Cc1cccc(N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC001462027371 1063888775 /nfs/dbraw/zinc/88/87/75/1063888775.db2.gz IIVJCVUSMQYYIX-TZIWHRDSSA-N 1 0 317.436 4.338 20 30 DIEDRO C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCN(c2ccccc2)C1 ZINC001462031587 1063890748 /nfs/dbraw/zinc/89/07/48/1063890748.db2.gz FSVILNWADGXAEI-KRWDZBQOSA-N 1 0 312.482 4.263 20 30 DIEDRO C=CCCC(C)(C)CNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC001462039470 1063896201 /nfs/dbraw/zinc/89/62/01/1063896201.db2.gz ZFLGBURFUZRENY-GOSISDBHSA-N 1 0 316.489 4.178 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)cc1 ZINC001261276764 1063918984 /nfs/dbraw/zinc/91/89/84/1063918984.db2.gz SDBGVRULYNBIAR-QAPCUYQASA-N 1 0 321.420 4.051 20 30 DIEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001462089060 1063922848 /nfs/dbraw/zinc/92/28/48/1063922848.db2.gz XIISSVNAANCVHV-ICSRJNTNSA-N 1 0 322.456 4.017 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC001462101606 1063929380 /nfs/dbraw/zinc/92/93/80/1063929380.db2.gz DJFRUCWTCKEFTR-DMUMMCEESA-N 1 0 300.490 4.321 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC001262111482 1063957569 /nfs/dbraw/zinc/95/75/69/1063957569.db2.gz HNUVQKGPFCJQFA-OCCSQVGLSA-N 1 0 322.861 4.021 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000701909950 1064272247 /nfs/dbraw/zinc/27/22/47/1064272247.db2.gz FVMIHGYITMWYDA-GJZGRUSLSA-N 1 0 322.493 4.014 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(CC)C(C)C ZINC001279870433 1064369168 /nfs/dbraw/zinc/36/91/68/1064369168.db2.gz FZLHVADJMFGZIZ-PKOBYXMFSA-N 1 0 308.510 4.068 20 30 DIEDRO C=CC(C)(C)CCCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC001303334291 1065112751 /nfs/dbraw/zinc/11/27/51/1065112751.db2.gz CYLPWPNBSHGJSA-UHFFFAOYSA-N 1 0 316.489 4.251 20 30 DIEDRO Cc1ccc([C@@H](CNc2cc(C)cc(F)c2C#N)[NH+](C)C)cc1 ZINC001306947809 1065216468 /nfs/dbraw/zinc/21/64/68/1065216468.db2.gz CKHRYVPGMTVEAM-LJQANCHMSA-N 1 0 311.404 4.029 20 30 DIEDRO CC1CCC([N@H+](CCCOc2ccc(C#N)cc2)C2CC2)CC1 ZINC001307418322 1065382012 /nfs/dbraw/zinc/38/20/12/1065382012.db2.gz LFDFMZBHZAQPRO-UHFFFAOYSA-N 1 0 312.457 4.370 20 30 DIEDRO CCN(C[C@@H]1CCCC[N@@H+]1C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC001307425213 1065385567 /nfs/dbraw/zinc/38/55/67/1065385567.db2.gz AHQIARVVPAVZGW-PXNSSMCTSA-N 1 0 313.489 4.204 20 30 DIEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)c1cccc(OC)c1 ZINC001307426867 1065386369 /nfs/dbraw/zinc/38/63/69/1065386369.db2.gz QVYCLPKKBRNTQJ-MRXNPFEDSA-N 1 0 311.400 4.269 20 30 DIEDRO C#CC[N@@H+](C[C@@H]1CCCCC1(F)F)[C@@H]1CCc2ccccc21 ZINC001307428404 1065388036 /nfs/dbraw/zinc/38/80/36/1065388036.db2.gz CYYYJDMZCSAMNH-FUHWJXTLSA-N 1 0 303.396 4.435 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001307452519 1065409471 /nfs/dbraw/zinc/40/94/71/1065409471.db2.gz FWYNSAJAXRRFGH-HXUWFJFHSA-N 1 0 320.436 4.207 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC001307473456 1065422022 /nfs/dbraw/zinc/42/20/22/1065422022.db2.gz YBZRLKWVMMASOG-HNNXBMFYSA-N 1 0 312.844 4.469 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1C#N ZINC001307480299 1065427664 /nfs/dbraw/zinc/42/76/64/1065427664.db2.gz RIBIYIJIPRXEAL-GOSISDBHSA-N 1 0 308.400 4.070 20 30 DIEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001307483580 1065428200 /nfs/dbraw/zinc/42/82/00/1065428200.db2.gz RVGXPEUSLHJBQP-RBUKOAKNSA-N 1 0 300.446 4.168 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001307484048 1065430024 /nfs/dbraw/zinc/43/00/24/1065430024.db2.gz ZPZCOHJVGRZHDH-MSOLQXFVSA-N 1 0 318.436 4.113 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001307484049 1065430942 /nfs/dbraw/zinc/43/09/42/1065430942.db2.gz ZPZCOHJVGRZHDH-QZTJIDSGSA-N 1 0 318.436 4.113 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001307495113 1065438742 /nfs/dbraw/zinc/43/87/42/1065438742.db2.gz AIVJYGKSAXJUDN-BFUOFWGJSA-N 1 0 312.363 4.420 20 30 DIEDRO C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC001307515090 1065454963 /nfs/dbraw/zinc/45/49/63/1065454963.db2.gz XBKBGIHUXBSLOT-JXFKEZNVSA-N 1 0 306.409 4.020 20 30 DIEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001307517704 1065457318 /nfs/dbraw/zinc/45/73/18/1065457318.db2.gz DEAMBIWUDBEFTD-OAQYLSRUSA-N 1 0 304.437 4.403 20 30 DIEDRO CC[NH+](CC)CCN(CCC1(C#N)CCCCC1)CC(C)C ZINC001307517859 1065458443 /nfs/dbraw/zinc/45/84/43/1065458443.db2.gz ZQUHLQXGUFDQMY-UHFFFAOYSA-N 1 0 307.526 4.150 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1(CC)CC ZINC001307552187 1065478040 /nfs/dbraw/zinc/47/80/40/1065478040.db2.gz SVDWSAGXWFLFFJ-RTBURBONSA-N 1 0 317.448 4.093 20 30 DIEDRO C#CCCCCCC[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC001307566407 1065486422 /nfs/dbraw/zinc/48/64/22/1065486422.db2.gz ZVBUERQTDDVBIZ-LJQANCHMSA-N 1 0 324.509 4.099 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C/C=C(/C)COC)C(C)(C)C)cc1 ZINC001307570303 1065488226 /nfs/dbraw/zinc/48/82/26/1065488226.db2.gz GJROIDVGKHFECC-ATVHPVEESA-N 1 0 317.473 4.445 20 30 DIEDRO CC(C)C[N@H+](CCCOc1ccc(C#N)cc1)CC(C)(C)C ZINC001307580548 1065494606 /nfs/dbraw/zinc/49/46/06/1065494606.db2.gz XQACBMZBRUQIJC-UHFFFAOYSA-N 1 0 302.462 4.331 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1F ZINC001307608309 1065511385 /nfs/dbraw/zinc/51/13/85/1065511385.db2.gz JJIZCHKMYKVIJV-QRWLVFNGSA-N 1 0 308.400 4.405 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)c1 ZINC001307623978 1065524527 /nfs/dbraw/zinc/52/45/27/1065524527.db2.gz RZXVXXLJBDPXAI-HNNXBMFYSA-N 1 0 313.828 4.441 20 30 DIEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)c1cccc(C#N)c1 ZINC001307635381 1065531851 /nfs/dbraw/zinc/53/18/51/1065531851.db2.gz SMKDYWHQKRHDQO-NHCUHLMSSA-N 1 0 322.452 4.277 20 30 DIEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)c1cccc(C#N)c1 ZINC001307635380 1065533445 /nfs/dbraw/zinc/53/34/45/1065533445.db2.gz SMKDYWHQKRHDQO-LEWJYISDSA-N 1 0 322.452 4.277 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2(Cc3ccccc3)CCCC2)c1F ZINC001307671391 1065553079 /nfs/dbraw/zinc/55/30/79/1065553079.db2.gz ZQHWAMWQUQRZQT-UHFFFAOYSA-N 1 0 308.400 4.342 20 30 DIEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1Oc1ccc(OCCC)cc1 ZINC001307701421 1065573672 /nfs/dbraw/zinc/57/36/72/1065573672.db2.gz WUKSIPRVUZTOQC-RTBURBONSA-N 1 0 303.446 4.331 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1C ZINC001307703509 1065573746 /nfs/dbraw/zinc/57/37/46/1065573746.db2.gz VBNIBEIBRMETMN-XUJVJEKNSA-N 1 0 308.372 4.074 20 30 DIEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001307705977 1065575228 /nfs/dbraw/zinc/57/52/28/1065575228.db2.gz KIPMEVUEIOZMCE-QAPCUYQASA-N 1 0 300.446 4.132 20 30 DIEDRO C=CC[C@H]1[N@H+](CCC(=O)N(C)c2ccccc2)CCCC1(C)C ZINC001307730196 1065591722 /nfs/dbraw/zinc/59/17/22/1065591722.db2.gz UZEVLILNLXXEEO-GOSISDBHSA-N 1 0 314.473 4.106 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2C)C12CCCCC2 ZINC001307743395 1065601411 /nfs/dbraw/zinc/60/14/11/1065601411.db2.gz GHKCSGMSELUIIJ-RTBURBONSA-N 1 0 312.457 4.084 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CCCCC2(C#N)CCC2)[C@@H](C)[C@H]1OC ZINC001307746459 1065602098 /nfs/dbraw/zinc/60/20/98/1065602098.db2.gz UFSAGDHINGLCTP-BRWVUGGUSA-N 1 0 306.494 4.280 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C#N)cc1Br ZINC001307751019 1065604676 /nfs/dbraw/zinc/60/46/76/1065604676.db2.gz AZDYCLVOSZYCQW-VXGBXAGGSA-N 1 0 321.262 4.235 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC001307769588 1065613323 /nfs/dbraw/zinc/61/33/23/1065613323.db2.gz GLDSSLXRZOYFDO-ZDUSSCGKSA-N 1 0 307.743 4.125 20 30 DIEDRO C=CCCC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001307794404 1065623267 /nfs/dbraw/zinc/62/32/67/1065623267.db2.gz YVSHPTQXGDKYAY-CZUORRHYSA-N 1 0 313.363 4.433 20 30 DIEDRO CS[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001307802712 1065627578 /nfs/dbraw/zinc/62/75/78/1065627578.db2.gz LMUXCJGNGWAHQL-GOSISDBHSA-N 1 0 308.450 4.163 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC001307803414 1065629442 /nfs/dbraw/zinc/62/94/42/1065629442.db2.gz CFBCKTCBZRWOSX-UHFFFAOYSA-N 1 0 305.849 4.290 20 30 DIEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001307809731 1065631286 /nfs/dbraw/zinc/63/12/86/1065631286.db2.gz FNFKRNAIVGVARF-AEFFLSMTSA-N 1 0 314.473 4.474 20 30 DIEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001307809734 1065632066 /nfs/dbraw/zinc/63/20/66/1065632066.db2.gz FNFKRNAIVGVARF-WMZOPIPTSA-N 1 0 314.473 4.474 20 30 DIEDRO CCCCCCCC[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC001307855121 1065653776 /nfs/dbraw/zinc/65/37/76/1065653776.db2.gz NKYLOISMYLHURR-SFHVURJKSA-N 1 0 308.510 4.118 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC001307872777 1065663542 /nfs/dbraw/zinc/66/35/42/1065663542.db2.gz QWQAHPGCFYYPHH-LJQANCHMSA-N 1 0 323.484 4.250 20 30 DIEDRO N#CC1CCC(C[NH+]2CCC(c3cccc(F)c3F)CC2)CC1 ZINC001307874307 1065665336 /nfs/dbraw/zinc/66/53/36/1065665336.db2.gz MELRKHGILHLOBH-UHFFFAOYSA-N 1 0 318.411 4.474 20 30 DIEDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC001307915363 1065680211 /nfs/dbraw/zinc/68/02/11/1065680211.db2.gz BHEJHQAWMHFZJF-MGPUTAFESA-N 1 0 304.437 4.306 20 30 DIEDRO C=CC[N@@H+](CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)C(C)(C)C ZINC001307939492 1065690502 /nfs/dbraw/zinc/69/05/02/1065690502.db2.gz UEECGKSRGLJVFN-HNNXBMFYSA-N 1 0 320.452 4.022 20 30 DIEDRO C=CC[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C(C)(C)C ZINC001307937849 1065691113 /nfs/dbraw/zinc/69/11/13/1065691113.db2.gz FUJBYJRPAHZZEQ-UHFFFAOYSA-N 1 0 306.356 4.406 20 30 DIEDRO CC(C)CC1([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001307949815 1065695691 /nfs/dbraw/zinc/69/56/91/1065695691.db2.gz LNOLOWHDJQLOQO-UHFFFAOYSA-N 1 0 311.347 4.105 20 30 DIEDRO CN(c1ccccc1)[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001307969237 1065704324 /nfs/dbraw/zinc/70/43/24/1065704324.db2.gz PSGQROIAAQSDLI-IBGZPJMESA-N 1 0 311.473 4.061 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CC3)CC2)c(Br)c1 ZINC001307973193 1065706456 /nfs/dbraw/zinc/70/64/56/1065706456.db2.gz XXAQBFKZACQPSA-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1Cc1cncc(C#N)c1 ZINC001308027047 1065730153 /nfs/dbraw/zinc/73/01/53/1065730153.db2.gz RJICJVUAWAQYFK-DNVCBOLYSA-N 1 0 305.425 4.110 20 30 DIEDRO C=CCCC[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccccc1 ZINC001308041070 1065735557 /nfs/dbraw/zinc/73/55/57/1065735557.db2.gz SCJWTRWZOAOJHJ-LJQANCHMSA-N 1 0 314.473 4.076 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001308038298 1065736377 /nfs/dbraw/zinc/73/63/77/1065736377.db2.gz RXAXLIPOWHJOML-NRFANRHFSA-N 1 0 320.436 4.338 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C ZINC001308062758 1065747144 /nfs/dbraw/zinc/74/71/44/1065747144.db2.gz UZVSMTFOQXXGLP-GFCCVEGCSA-N 1 0 310.388 4.274 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001308067748 1065747538 /nfs/dbraw/zinc/74/75/38/1065747538.db2.gz KCAFTUOJARMCNB-NSHDSACASA-N 1 0 301.739 4.204 20 30 DIEDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001308098604 1065763606 /nfs/dbraw/zinc/76/36/06/1065763606.db2.gz LHCYCDXGWZEMIQ-LAUBAEHRSA-N 1 0 307.412 4.445 20 30 DIEDRO C#CC[N@@H+](Cc1sc(C)nc1C)[C@H]1CCCc2ccccc21 ZINC001308104011 1065765995 /nfs/dbraw/zinc/76/59/95/1065765995.db2.gz LZEGWRVQOIUTMZ-SFHVURJKSA-N 1 0 310.466 4.273 20 30 DIEDRO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC001308124622 1065772705 /nfs/dbraw/zinc/77/27/05/1065772705.db2.gz LAOSCFZKQAHBMW-INIZCTEOSA-N 1 0 320.845 4.463 20 30 DIEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001308124260 1065773814 /nfs/dbraw/zinc/77/38/14/1065773814.db2.gz JMBYMXBIQRPOQE-GOSISDBHSA-N 1 0 314.429 4.356 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001308135351 1065776180 /nfs/dbraw/zinc/77/61/80/1065776180.db2.gz XQUOYRZASBSGKA-GOSISDBHSA-N 1 0 314.473 4.005 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1Cl ZINC001308135794 1065776448 /nfs/dbraw/zinc/77/64/48/1065776448.db2.gz JOMGNRUKASXWCE-HNNXBMFYSA-N 1 0 307.821 4.057 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC001308139567 1065776948 /nfs/dbraw/zinc/77/69/48/1065776948.db2.gz GZEPJSVEOWWGCG-RZQQEMMASA-N 1 0 322.452 4.056 20 30 DIEDRO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC001308142044 1065778042 /nfs/dbraw/zinc/77/80/42/1065778042.db2.gz OQHJVQWIVFURRY-HXUWFJFHSA-N 1 0 305.421 4.253 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC001308142324 1065778117 /nfs/dbraw/zinc/77/81/17/1065778117.db2.gz USTLHAMTMXTBKD-GFCCVEGCSA-N 1 0 317.376 4.458 20 30 DIEDRO Cc1cccc(C2=CC[N@H+](Cc3cccc(C#N)c3)CC2)c1C ZINC001308146504 1065780672 /nfs/dbraw/zinc/78/06/72/1065780672.db2.gz AIBYLEWYTMVDRO-UHFFFAOYSA-N 1 0 302.421 4.464 20 30 DIEDRO C=CC[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001308187589 1065799360 /nfs/dbraw/zinc/79/93/60/1065799360.db2.gz UCPJLFNFRGJWPH-UHFFFAOYSA-N 1 0 314.410 4.330 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC001308190862 1065801674 /nfs/dbraw/zinc/80/16/74/1065801674.db2.gz OBKYQXRENYPLTD-CRAIPNDOSA-N 1 0 312.457 4.260 20 30 DIEDRO CCCCOc1ccc(CC[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC001308205310 1065813246 /nfs/dbraw/zinc/81/32/46/1065813246.db2.gz XBMYVTNSDZQQPK-UHFFFAOYSA-N 1 0 322.452 4.378 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1Cl ZINC001308232620 1065838129 /nfs/dbraw/zinc/83/81/29/1065838129.db2.gz ZBQAHEVJARBXSZ-UHFFFAOYSA-N 1 0 323.770 4.473 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001308250186 1065854991 /nfs/dbraw/zinc/85/49/91/1065854991.db2.gz GUTIOWDAJPODMB-CVEARBPZSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)C1 ZINC001308271914 1065870157 /nfs/dbraw/zinc/87/01/57/1065870157.db2.gz MFPKNQOKWZEYHJ-QRQLOZEOSA-N 1 0 316.464 4.437 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC001308276472 1065876585 /nfs/dbraw/zinc/87/65/85/1065876585.db2.gz NCGREGSRJAMKGG-ZBEGNZNMSA-N 1 0 320.845 4.139 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001308295330 1065891128 /nfs/dbraw/zinc/89/11/28/1065891128.db2.gz JPVQSMJIAXYRPR-YJBOKZPZSA-N 1 0 315.457 4.476 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2(CC(C)C)CC2)cc(OC)c1O ZINC001308327190 1065915887 /nfs/dbraw/zinc/91/58/87/1065915887.db2.gz BCKRQDTZXRWMPL-UHFFFAOYSA-N 1 0 303.446 4.045 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)C2CCC2)cc1OC ZINC001308362845 1065941001 /nfs/dbraw/zinc/94/10/01/1065941001.db2.gz UMHQHNVJYTUAEF-GFCCVEGCSA-N 1 0 309.837 4.192 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C1 ZINC001308379083 1065952506 /nfs/dbraw/zinc/95/25/06/1065952506.db2.gz SAQXJUCWBKQAQT-PBHICJAKSA-N 1 0 300.421 4.194 20 30 DIEDRO C=CCC1(C[NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC001308403366 1065965761 /nfs/dbraw/zinc/96/57/61/1065965761.db2.gz PKQACAIDLYLOHI-UHFFFAOYSA-N 1 0 324.262 4.381 20 30 DIEDRO CC(C)(C[NH2+]Cc1cccc(OCCCC#N)c1)C1CCC1 ZINC001308407048 1065967697 /nfs/dbraw/zinc/96/76/97/1065967697.db2.gz HIBNCAYYGMFIEK-UHFFFAOYSA-N 1 0 300.446 4.285 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCC[C@H]2CC)cc(OC)c1O ZINC001308407231 1065968260 /nfs/dbraw/zinc/96/82/60/1065968260.db2.gz NFWXVBQURFFNPU-WBVHZDCISA-N 1 0 303.446 4.045 20 30 DIEDRO CC(C)(CC[NH2+]Cc1cc(C#N)ccc1Br)C1CC1 ZINC001308420123 1065976908 /nfs/dbraw/zinc/97/69/08/1065976908.db2.gz VUSCXNSTWJICDT-UHFFFAOYSA-N 1 0 321.262 4.237 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)c1 ZINC001308437196 1065987139 /nfs/dbraw/zinc/98/71/39/1065987139.db2.gz ZTLBWHNZGPXDIK-UHFFFAOYSA-N 1 0 303.327 4.285 20 30 DIEDRO Cc1cc(C#N)cc(NCC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC001308438548 1065987368 /nfs/dbraw/zinc/98/73/68/1065987368.db2.gz RPJJUPQNQYYNML-UHFFFAOYSA-N 1 0 321.468 4.437 20 30 DIEDRO C=CCOCCC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001308464473 1066006499 /nfs/dbraw/zinc/00/64/99/1066006499.db2.gz CVXLNZVDHZQSBE-UHFFFAOYSA-N 1 0 307.743 4.041 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cc(C#N)ccc1Br ZINC001308475360 1066015512 /nfs/dbraw/zinc/01/55/12/1066015512.db2.gz PHZGGOQRBWDYLZ-UHFFFAOYSA-N 1 0 307.235 4.013 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC001308485655 1066021636 /nfs/dbraw/zinc/02/16/36/1066021636.db2.gz DLVUUAOJHXACKE-UHFFFAOYSA-N 1 0 301.409 4.298 20 30 DIEDRO COc1ccc(C[NH2+][C@](C)(Cc2ccccc2)C(C)C)cc1C#N ZINC001308490887 1066024284 /nfs/dbraw/zinc/02/42/84/1066024284.db2.gz GMJDBZZMQOGETK-OAQYLSRUSA-N 1 0 322.452 4.314 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001308509507 1066036062 /nfs/dbraw/zinc/03/60/62/1066036062.db2.gz APCRUIYIGCFWIF-UHFFFAOYSA-N 1 0 301.409 4.093 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]C/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC001308510811 1066037111 /nfs/dbraw/zinc/03/71/11/1066037111.db2.gz XUNTWVHJOYDLLZ-NKUJVMBMSA-N 1 0 319.395 4.473 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC001308513367 1066039513 /nfs/dbraw/zinc/03/95/13/1066039513.db2.gz NBFVRSGZNHWDQG-UHFFFAOYSA-N 1 0 323.484 4.384 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc3c(c2)CCCC3)cc1C#N ZINC001308520335 1066042800 /nfs/dbraw/zinc/04/28/00/1066042800.db2.gz XSFZSUCLQGFBKO-UHFFFAOYSA-N 1 0 322.477 4.449 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@H](C)C2)cc1OC ZINC001308523211 1066045937 /nfs/dbraw/zinc/04/59/37/1066045937.db2.gz OMBBKKXPSQLIIS-JSGCOSHPSA-N 1 0 309.837 4.192 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(OCC(C)C)c(OCC)c2)CCC1 ZINC001308531070 1066049850 /nfs/dbraw/zinc/04/98/50/1066049850.db2.gz YAMMHBPRUVULAL-UHFFFAOYSA-N 1 0 315.457 4.156 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC001308537824 1066053801 /nfs/dbraw/zinc/05/38/01/1066053801.db2.gz CWEIAVRJASXURG-GOOCMWNKSA-N 1 0 323.889 4.421 20 30 DIEDRO COC1(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCCCCC1 ZINC001308543600 1066058443 /nfs/dbraw/zinc/05/84/43/1066058443.db2.gz KSKWHVALUZMMOZ-UHFFFAOYSA-N 1 0 314.473 4.317 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC[C@H]2CCC(F)(F)C2)cc1 ZINC001308545819 1066059945 /nfs/dbraw/zinc/05/99/45/1066059945.db2.gz JLOFREHZDSAQOB-OAHLLOKOSA-N 1 0 307.384 4.004 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)cc1 ZINC001308556557 1066067659 /nfs/dbraw/zinc/06/76/59/1066067659.db2.gz CKZKOBUAWSGCKZ-XUVXKRRUSA-N 1 0 317.473 4.445 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)n1)CC1CCC1 ZINC001308569530 1066079282 /nfs/dbraw/zinc/07/92/82/1066079282.db2.gz ZVOMKUIZOLRUBV-MRXNPFEDSA-N 1 0 305.425 4.317 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@](C)(CC)C1 ZINC001308576165 1066089785 /nfs/dbraw/zinc/08/97/85/1066089785.db2.gz MOQJXKJPPZCRRE-GOSISDBHSA-N 1 0 305.849 4.364 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(N(C)C)cc1C ZINC001308579166 1066093715 /nfs/dbraw/zinc/09/37/15/1066093715.db2.gz YEBHVJMHTOQPNF-UHFFFAOYSA-N 1 0 324.468 4.258 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)cc1O ZINC001308578314 1066094291 /nfs/dbraw/zinc/09/42/91/1066094291.db2.gz MUKJXXQJWDGSDW-UHFFFAOYSA-N 1 0 317.816 4.242 20 30 DIEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1ccc(C#N)c(OC)c1 ZINC001308593818 1066106077 /nfs/dbraw/zinc/10/60/77/1066106077.db2.gz KSEVNDNMORUZHH-HXUWFJFHSA-N 1 0 322.452 4.410 20 30 DIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1csc(C#N)c1 ZINC001308607164 1066114260 /nfs/dbraw/zinc/11/42/60/1066114260.db2.gz KTFJHWWOVKRTNP-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO C=CC[N@@H+](Cc1c(C)cc(OC)nc1C)CC1CCCCC1 ZINC001308632940 1066129030 /nfs/dbraw/zinc/12/90/30/1066129030.db2.gz FCZJTXGGUYYHIT-UHFFFAOYSA-N 1 0 302.462 4.275 20 30 DIEDRO CC#CCC[NH2+]Cc1ccccc1Oc1ccc(C)cc1OC ZINC001308655955 1066139676 /nfs/dbraw/zinc/13/96/76/1066139676.db2.gz JMKOYWDEOLSGGD-UHFFFAOYSA-N 1 0 309.409 4.299 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccccc1OCc1ccc(F)cc1F ZINC001308704466 1066189725 /nfs/dbraw/zinc/18/97/25/1066189725.db2.gz JPIIFVMABKTFCR-UHFFFAOYSA-N 1 0 303.352 4.162 20 30 DIEDRO Cc1cc(C)cc(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC001308740097 1066214445 /nfs/dbraw/zinc/21/44/45/1066214445.db2.gz NAWMYMBLRSPETM-UHFFFAOYSA-N 1 0 304.437 4.491 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1Br ZINC001308752141 1066224592 /nfs/dbraw/zinc/22/45/92/1066224592.db2.gz VDSONJYFBZCEGU-SECBINFHSA-N 1 0 304.178 4.172 20 30 DIEDRO N#Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cs1 ZINC001308750994 1066225915 /nfs/dbraw/zinc/22/59/15/1066225915.db2.gz MAGCJOPMJPXEEZ-GUDVDZBRSA-N 1 0 308.450 4.388 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001308769674 1066242838 /nfs/dbraw/zinc/24/28/38/1066242838.db2.gz JMOYKJCZWOZQGV-GVDBMIGSSA-N 1 0 305.487 4.127 20 30 DIEDRO C=C(C)CC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC001308774049 1066248833 /nfs/dbraw/zinc/24/88/33/1066248833.db2.gz NQYGAANJKLAYQB-UHFFFAOYSA-N 1 0 312.226 4.390 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCC2(CSC2)CC1)c1ccc(Cl)cc1 ZINC001308795683 1066271761 /nfs/dbraw/zinc/27/17/61/1066271761.db2.gz KDECXYSNRKVVES-MRXNPFEDSA-N 1 0 305.874 4.280 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001308804882 1066282784 /nfs/dbraw/zinc/28/27/84/1066282784.db2.gz XUHBPFKZFDZKKD-BPQIPLTHSA-N 1 0 300.446 4.104 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001308815625 1066290219 /nfs/dbraw/zinc/29/02/19/1066290219.db2.gz XEXUTHLLEVVEHW-OAQYLSRUSA-N 1 0 321.464 4.331 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001308815624 1066291016 /nfs/dbraw/zinc/29/10/16/1066291016.db2.gz XEXUTHLLEVVEHW-NRFANRHFSA-N 1 0 321.464 4.331 20 30 DIEDRO CC(C)(C)c1ccc(CC[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC001308821285 1066296269 /nfs/dbraw/zinc/29/62/69/1066296269.db2.gz WGAJJBLPZRTPRL-UHFFFAOYSA-N 1 0 310.416 4.327 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001308826289 1066302107 /nfs/dbraw/zinc/30/21/07/1066302107.db2.gz UDGRSTDCYPWUDS-VGOFRKELSA-N 1 0 316.448 4.330 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC001308842397 1066317116 /nfs/dbraw/zinc/31/71/16/1066317116.db2.gz ZLWGNBZLXWCGNL-KRWDZBQOSA-N 1 0 324.493 4.230 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC001308881631 1066359362 /nfs/dbraw/zinc/35/93/62/1066359362.db2.gz XNRQINYEHPGXBZ-QKXCFHHRSA-N 1 0 305.368 4.037 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC001308881630 1066359737 /nfs/dbraw/zinc/35/97/37/1066359737.db2.gz XNRQINYEHPGXBZ-GOFCXVBSSA-N 1 0 305.368 4.037 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC001308880229 1066361166 /nfs/dbraw/zinc/36/11/66/1066361166.db2.gz JMRYAXOPZHRCBU-INIZCTEOSA-N 1 0 308.425 4.155 20 30 DIEDRO CCCCCC[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001308890762 1066372255 /nfs/dbraw/zinc/37/22/55/1066372255.db2.gz INUZTZOFUICSOM-KRWDZBQOSA-N 1 0 313.489 4.476 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CCc1cn(C)c2ncccc12 ZINC001308906538 1066384727 /nfs/dbraw/zinc/38/47/27/1066384727.db2.gz DRNTYOABBXQBDV-MRXNPFEDSA-N 1 0 301.478 4.454 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)C1 ZINC001308924006 1066401913 /nfs/dbraw/zinc/40/19/13/1066401913.db2.gz DIOZDOGUCWGOMB-QRQLOZEOSA-N 1 0 312.457 4.131 20 30 DIEDRO C=C1CCC(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC001308932674 1066406906 /nfs/dbraw/zinc/40/69/06/1066406906.db2.gz ZYVIYJSWUBKPOU-OAHLLOKOSA-N 1 0 317.473 4.279 20 30 DIEDRO COc1ccc2ccccc2c1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC001308935905 1066407532 /nfs/dbraw/zinc/40/75/32/1066407532.db2.gz XZXBLJINPHHBIP-WBVHZDCISA-N 1 0 308.425 4.063 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001308969483 1066424361 /nfs/dbraw/zinc/42/43/61/1066424361.db2.gz SVKKRHLCMPAMQQ-IRXDYDNUSA-N 1 0 324.509 4.310 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001308979989 1066429698 /nfs/dbraw/zinc/42/96/98/1066429698.db2.gz TVMWUJQOTOENLC-OAGGEKHMSA-N 1 0 312.498 4.381 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000088764674 185264428 /nfs/dbraw/zinc/26/44/28/185264428.db2.gz DBFJHCPVKPFCSP-INIZCTEOSA-N 1 0 305.425 4.009 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000090117408 185283064 /nfs/dbraw/zinc/28/30/64/185283064.db2.gz DCTOIWJJSJHNBI-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@H+](CCC)CC1CC1 ZINC000096970336 185394630 /nfs/dbraw/zinc/39/46/30/185394630.db2.gz HXAKHJPDZZPZMS-UHFFFAOYSA-N 1 0 318.486 4.025 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182076598 334991194 /nfs/dbraw/zinc/99/11/94/334991194.db2.gz STHOLYZUANGFMO-OAHLLOKOSA-N 1 0 324.424 4.061 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)c1ccco1 ZINC000285719476 335024972 /nfs/dbraw/zinc/02/49/72/335024972.db2.gz PZOLCDSUBWSBDA-IBGZPJMESA-N 1 0 321.424 4.322 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccco1 ZINC000285932379 335028265 /nfs/dbraw/zinc/02/82/65/335028265.db2.gz CYOKPNDNZKOCSM-JKSUJKDBSA-N 1 0 321.486 4.321 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)c1ccco1 ZINC000285938798 335028349 /nfs/dbraw/zinc/02/83/49/335028349.db2.gz DHNPIPWJAHDUQN-AOSWFRPUSA-N 1 0 317.454 4.375 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccco1 ZINC000285789051 335029407 /nfs/dbraw/zinc/02/94/07/335029407.db2.gz UQEAHXIEQVVTGC-IBGZPJMESA-N 1 0 321.424 4.322 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1ccco1 ZINC000285764997 335029060 /nfs/dbraw/zinc/02/90/60/335029060.db2.gz SLJHEQXJGWKCBW-GOSISDBHSA-N 1 0 324.424 4.204 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000286029096 335031572 /nfs/dbraw/zinc/03/15/72/335031572.db2.gz JDCTXYZDLQXORS-LPHOPBHVSA-N 1 0 323.436 4.427 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000286029104 335031710 /nfs/dbraw/zinc/03/17/10/335031710.db2.gz JDCTXYZDLQXORS-VQIMIIECSA-N 1 0 323.436 4.427 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000287581130 335044934 /nfs/dbraw/zinc/04/49/34/335044934.db2.gz HJXPOAXHADYXSG-OWCLPIDISA-N 1 0 313.363 4.393 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000287638599 335048963 /nfs/dbraw/zinc/04/89/63/335048963.db2.gz UMODYBNTADFHCG-LJQANCHMSA-N 1 0 312.388 4.026 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1N(C)C ZINC000272192909 130006174 /nfs/dbraw/zinc/00/61/74/130006174.db2.gz HOZDOOXFVFJQKR-CQSZACIVSA-N 1 0 323.415 4.103 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272301673 130019370 /nfs/dbraw/zinc/01/93/70/130019370.db2.gz RIXCLKRLKRSQIC-HXUWFJFHSA-N 1 0 318.420 4.223 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CCC2 ZINC000272322770 130020926 /nfs/dbraw/zinc/02/09/26/130020926.db2.gz WHITWUHKTVCPRH-FQEVSTJZSA-N 1 0 318.420 4.223 20 30 DIEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000275701868 130366721 /nfs/dbraw/zinc/36/67/21/130366721.db2.gz QNAGJQRJGAKXAS-CRAIPNDOSA-N 1 0 306.409 4.117 20 30 DIEDRO CC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000278312813 130679878 /nfs/dbraw/zinc/67/98/78/130679878.db2.gz TWSUZMLTEWPKTJ-NRFANRHFSA-N 1 0 319.452 4.268 20 30 DIEDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)cc1C#N ZINC000340197109 131134359 /nfs/dbraw/zinc/13/43/59/131134359.db2.gz ZTSBHUFEMKIGMG-YOEHRIQHSA-N 1 0 310.397 4.133 20 30 DIEDRO C#Cc1ccc(CN[C@@H](CC)c2nc(C(F)(F)F)cs2)cc1 ZINC000290362825 335072845 /nfs/dbraw/zinc/07/28/45/335072845.db2.gz MWNJAEQBDSTLDZ-ZDUSSCGKSA-N 1 0 324.371 4.384 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000136747265 335076702 /nfs/dbraw/zinc/07/67/02/335076702.db2.gz CCRRJGXGBSPIFQ-GOSISDBHSA-N 1 0 315.457 4.223 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(Cl)s1)CC2 ZINC000574946241 332858196 /nfs/dbraw/zinc/85/81/96/332858196.db2.gz YCHLBZOIJSBAAV-OAHLLOKOSA-N 1 0 302.830 4.093 20 30 DIEDRO C[C@H]([NH2+]CCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000312430300 331484212 /nfs/dbraw/zinc/48/42/12/331484212.db2.gz AGSVQWIEIOPJHJ-ZETCQYMHSA-N 1 0 303.221 4.344 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1ccc(C#N)cc1F ZINC000533445951 331532347 /nfs/dbraw/zinc/53/23/47/331532347.db2.gz UYKASUKCIMURCY-UHFFFAOYSA-N 1 0 323.415 4.214 20 30 DIEDRO C=CCC[NH2+][C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000530624597 331612903 /nfs/dbraw/zinc/61/29/03/331612903.db2.gz VFKNNFKDYYLDCW-LJQANCHMSA-N 1 0 315.388 4.098 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1OC ZINC000047771677 331639426 /nfs/dbraw/zinc/63/94/26/331639426.db2.gz ITNNBIDNWAVTGN-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO COc1ccc2cc(C[NH2+]Cc3ccc(C#N)cc3)ccc2c1 ZINC000047798190 331646469 /nfs/dbraw/zinc/64/64/69/331646469.db2.gz FSGWAPKJKSSHCC-UHFFFAOYSA-N 1 0 302.377 4.010 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](OC)C(C)(C)C)cc1Cl ZINC000465001439 332923446 /nfs/dbraw/zinc/92/34/46/332923446.db2.gz NVFIZPHMVXLTCQ-MRXNPFEDSA-N 1 0 311.853 4.056 20 30 DIEDRO CC1(C)Cc2cccc(C[NH2+]C3(c4cccc(C#N)c4)CC3)c2O1 ZINC000556408057 331700966 /nfs/dbraw/zinc/70/09/66/331700966.db2.gz PHCCUAJAYNQHRW-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000530973093 331745296 /nfs/dbraw/zinc/74/52/96/331745296.db2.gz WBVBCBVJIXAVFI-CJXDPKRBSA-N 1 0 306.409 4.162 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCc1cn(-c2ccccc2)nc1C ZINC000557248237 331778638 /nfs/dbraw/zinc/77/86/38/331778638.db2.gz XRBYJDHALWDJLN-SJORKVTESA-N 1 0 311.473 4.304 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)s1 ZINC000557795392 331816422 /nfs/dbraw/zinc/81/64/22/331816422.db2.gz JSAXHRRSASWBHH-UHFFFAOYSA-N 1 0 312.438 4.231 20 30 DIEDRO CC(C)c1ccc(O[C@@H](C)C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000569148326 331830424 /nfs/dbraw/zinc/83/04/24/331830424.db2.gz PKTUEVHOFRKUCM-INIZCTEOSA-N 1 0 302.462 4.497 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OCCCC#N ZINC000064613428 331832733 /nfs/dbraw/zinc/83/27/33/331832733.db2.gz NKATZQFDCDZVCO-INIZCTEOSA-N 1 0 324.424 4.229 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000449188595 331941329 /nfs/dbraw/zinc/94/13/29/331941329.db2.gz SMLDKLLADNHICK-LMRVLLHPSA-N 1 0 302.384 4.417 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(OCC#N)cc1 ZINC000127069668 331999358 /nfs/dbraw/zinc/99/93/58/331999358.db2.gz JAUKUHZVJBLSLM-CQSZACIVSA-N 1 0 314.454 4.279 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)ccc1C#N ZINC000559306652 332021117 /nfs/dbraw/zinc/02/11/17/332021117.db2.gz IRIIRYBXDVDQRG-UHFFFAOYSA-N 1 0 300.352 4.268 20 30 DIEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000520043100 332030397 /nfs/dbraw/zinc/03/03/97/332030397.db2.gz ZQNOTHWUQVBIOO-IBGZPJMESA-N 1 0 314.473 4.028 20 30 DIEDRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCCCC(C)(C)C#N ZINC000409447352 332032006 /nfs/dbraw/zinc/03/20/06/332032006.db2.gz QDIFZPDQLHQZDR-MAUKXSAKSA-N 1 0 300.446 4.030 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000409447947 332033550 /nfs/dbraw/zinc/03/35/50/332033550.db2.gz KEBJKGUUPZLSNV-UHFFFAOYSA-N 1 0 318.436 4.389 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1C ZINC000569391287 332074392 /nfs/dbraw/zinc/07/43/92/332074392.db2.gz HRUMUXFLEKEIDV-UHFFFAOYSA-N 1 0 317.454 4.262 20 30 DIEDRO C=CC[C@H](CC)NC(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC000410136863 332091349 /nfs/dbraw/zinc/09/13/49/332091349.db2.gz XISQNNZZWHMQIB-SFHVURJKSA-N 1 0 302.462 4.003 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090665024 332091987 /nfs/dbraw/zinc/09/19/87/332091987.db2.gz CQBXLJQYCVIKGU-RDTXWAMCSA-N 1 0 309.369 4.290 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000090664792 332092268 /nfs/dbraw/zinc/09/22/68/332092268.db2.gz PXBJLJVUWZDOLT-LPHOPBHVSA-N 1 0 307.441 4.448 20 30 DIEDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000518629631 332101402 /nfs/dbraw/zinc/10/14/02/332101402.db2.gz ORXFKCXWRGLZST-LLVKDONJSA-N 1 0 324.371 4.359 20 30 DIEDRO C=CCCc1ccccc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000410348787 332114784 /nfs/dbraw/zinc/11/47/84/332114784.db2.gz AWHARQPNOCZPBR-UHFFFAOYSA-N 1 0 308.425 4.119 20 30 DIEDRO N#CC1(CCC[N@H+](CC2CC2)C2CCCCC2)CCOCC1 ZINC000410348453 332114920 /nfs/dbraw/zinc/11/49/20/332114920.db2.gz JXZKGCDJNKIGCM-UHFFFAOYSA-N 1 0 304.478 4.132 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2nc3c(cccc3C)o2)cc1 ZINC000410349730 332115228 /nfs/dbraw/zinc/11/52/28/332115228.db2.gz BMTKHQQTJNYJPJ-UHFFFAOYSA-N 1 0 322.408 4.033 20 30 DIEDRO Cc1cccc2oc(CC[NH2+][C@H](C)c3ccc(C#N)cc3F)nc21 ZINC000410363385 332116361 /nfs/dbraw/zinc/11/63/61/332116361.db2.gz WJOWPKYDIHDUGS-CYBMUJFWSA-N 1 0 323.371 4.040 20 30 DIEDRO COc1cc(C[N@H+](C)CC(C)(C)CCC#N)ccc1SC ZINC000092674560 332129539 /nfs/dbraw/zinc/12/95/39/332129539.db2.gz WGYOSDJKZXPVNF-UHFFFAOYSA-N 1 0 306.475 4.179 20 30 DIEDRO CC(C)C[C@H](CNc1cc(C#N)ccn1)[NH2+][C@H](C)c1ccccc1 ZINC000569538031 332129591 /nfs/dbraw/zinc/12/95/91/332129591.db2.gz QVFLFRVYIHEIDP-VQIMIIECSA-N 1 0 322.456 4.131 20 30 DIEDRO Cc1ccc2oc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2c1 ZINC000564470267 332131923 /nfs/dbraw/zinc/13/19/23/332131923.db2.gz GIPJPFBZBNNVPI-LJQANCHMSA-N 1 0 302.377 4.390 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000133086156 332136508 /nfs/dbraw/zinc/13/65/08/332136508.db2.gz JVFOOKPOJXGUQD-UWVGGRQHSA-N 1 0 303.269 4.301 20 30 DIEDRO CCCC[C@@H](C)[N@H+](CCCC)CC(=O)Nc1sccc1C#N ZINC000559387410 332143261 /nfs/dbraw/zinc/14/32/61/332143261.db2.gz PMGSDYFNTZLFJQ-CQSZACIVSA-N 1 0 321.490 4.239 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)C(C)C ZINC000426998877 332165185 /nfs/dbraw/zinc/16/51/85/332165185.db2.gz SXCVWPBQIQAMEQ-GOSISDBHSA-N 1 0 312.844 4.382 20 30 DIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)s1 ZINC000181143877 332186427 /nfs/dbraw/zinc/18/64/27/332186427.db2.gz PEZGDIPUPPKJCB-NSHDSACASA-N 1 0 324.371 4.359 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000181283702 332190179 /nfs/dbraw/zinc/19/01/79/332190179.db2.gz WVOMHRJGWJTNBO-UHFFFAOYSA-N 1 0 305.219 4.005 20 30 DIEDRO C=CCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000448026780 332195525 /nfs/dbraw/zinc/19/55/25/332195525.db2.gz JUVSKEXSGBWJLE-HNNXBMFYSA-N 1 0 321.486 4.020 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000358048828 332206313 /nfs/dbraw/zinc/20/63/13/332206313.db2.gz QRZNGIVRINKSNI-RISCZKNCSA-N 1 0 310.235 4.217 20 30 DIEDRO N#CCCCC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000102397116 332225469 /nfs/dbraw/zinc/22/54/69/332225469.db2.gz ZRMZJDSULNBSIM-UHFFFAOYSA-N 1 0 307.235 4.107 20 30 DIEDRO CC#CCN(C)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000292989880 335099172 /nfs/dbraw/zinc/09/91/72/335099172.db2.gz CCFFRXYETHBCOI-SNVBAGLBSA-N 1 0 324.211 4.060 20 30 DIEDRO COc1cc(CC[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1Cl ZINC000559916304 332292735 /nfs/dbraw/zinc/29/27/35/332292735.db2.gz JLWMMSPCIUPRJT-ZDUSSCGKSA-N 1 0 314.816 4.114 20 30 DIEDRO COc1cccc2c1CCC[C@@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560268858 332325734 /nfs/dbraw/zinc/32/57/34/332325734.db2.gz QRKRMCDLUVSLNS-IBGZPJMESA-N 1 0 318.420 4.223 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCc4ccc(Cl)cc43)CC2)c1 ZINC000560268626 332325742 /nfs/dbraw/zinc/32/57/42/332325742.db2.gz NXLHYAUVLIAZRB-GOSISDBHSA-N 1 0 308.812 4.478 20 30 DIEDRO COc1cccc2c1CCC[C@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560268859 332325767 /nfs/dbraw/zinc/32/57/67/332325767.db2.gz QRKRMCDLUVSLNS-LJQANCHMSA-N 1 0 318.420 4.223 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCc4cc(Cl)ccc43)CC2)c1 ZINC000560269123 332325814 /nfs/dbraw/zinc/32/58/14/332325814.db2.gz OQZYWYVDURJJKE-SFHVURJKSA-N 1 0 308.812 4.478 20 30 DIEDRO CCCCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000097489629 332359337 /nfs/dbraw/zinc/35/93/37/332359337.db2.gz OECOHNQXDWQXNZ-UHFFFAOYSA-N 1 0 321.852 4.051 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCCSCC#N ZINC000121024096 332391204 /nfs/dbraw/zinc/39/12/04/332391204.db2.gz JLDMKYZLJPLKIC-ZDUSSCGKSA-N 1 0 311.520 4.215 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCCc1cn(-c2ccccc2)nc1C ZINC000560883421 332391830 /nfs/dbraw/zinc/39/18/30/332391830.db2.gz JCRGMMSGYHTCIQ-IBGZPJMESA-N 1 0 311.473 4.448 20 30 DIEDRO CC(C)[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CC1 ZINC000560898719 332392575 /nfs/dbraw/zinc/39/25/75/332392575.db2.gz MOSMGBSYPAWLNY-QLOJAFMTSA-N 1 0 312.457 4.272 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1F ZINC000150883799 332451176 /nfs/dbraw/zinc/45/11/76/332451176.db2.gz RJJTWIRAVTXOKP-MRXNPFEDSA-N 1 0 306.381 4.385 20 30 DIEDRO COc1cc(OC)c([C@H](C)[NH2+]CC(C)(C)CCC#N)cc1Cl ZINC000562038290 332535365 /nfs/dbraw/zinc/53/53/65/332535365.db2.gz VVTKCKAPTPQSPO-LBPRGKRZSA-N 1 0 324.852 4.338 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000564760949 332638246 /nfs/dbraw/zinc/63/82/46/332638246.db2.gz MLGHBSFDYDGXOW-XJKSGUPXSA-N 1 0 317.379 4.219 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000569698356 332663462 /nfs/dbraw/zinc/66/34/62/332663462.db2.gz MTUNQUBHMKBXAD-HFTRVMKXSA-N 1 0 315.848 4.399 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccco1 ZINC000569948981 332695932 /nfs/dbraw/zinc/69/59/32/332695932.db2.gz BWPNFNCMACOHLM-ROUUACIJSA-N 1 0 316.420 4.319 20 30 DIEDRO COc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000569952864 332696326 /nfs/dbraw/zinc/69/63/26/332696326.db2.gz UQQGBPQSRBXXNN-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(OCC#N)cc1 ZINC000181601652 333031354 /nfs/dbraw/zinc/03/13/54/333031354.db2.gz YSJVKPKSZXNUES-LBPRGKRZSA-N 1 0 320.845 4.197 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768488 333054247 /nfs/dbraw/zinc/05/42/47/333054247.db2.gz NRFGZCOLDOAWKG-INIZCTEOSA-N 1 0 324.424 4.227 20 30 DIEDRO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCCSCC#N)o1 ZINC000466742851 333082094 /nfs/dbraw/zinc/08/20/94/333082094.db2.gz HNYPNZUIOKFXND-HOCLYGCPSA-N 1 0 306.475 4.262 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000174252695 333084147 /nfs/dbraw/zinc/08/41/47/333084147.db2.gz OVAIRGCOHFSXRD-UHFFFAOYSA-N 1 0 300.324 4.005 20 30 DIEDRO COc1cc(C[N@H+](C)CCCC(C)(C)C#N)ccc1SC ZINC000174836104 333091495 /nfs/dbraw/zinc/09/14/95/333091495.db2.gz WKUWIPBXTYFFLP-UHFFFAOYSA-N 1 0 306.475 4.179 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000174853784 333091888 /nfs/dbraw/zinc/09/18/88/333091888.db2.gz QIVNIYNYZXYMAQ-UHFFFAOYSA-N 1 0 310.445 4.072 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000174879094 333092195 /nfs/dbraw/zinc/09/21/95/333092195.db2.gz LVSNMNVHMZLXLG-MRXNPFEDSA-N 1 0 302.487 4.431 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000462754156 333109018 /nfs/dbraw/zinc/10/90/18/333109018.db2.gz HDRSOYQZUSRWCH-RTBURBONSA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000462754154 333109020 /nfs/dbraw/zinc/10/90/20/333109020.db2.gz HDRSOYQZUSRWCH-OALUTQOASA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)Cc2cccs2)c1 ZINC000462760105 333109593 /nfs/dbraw/zinc/10/95/93/333109593.db2.gz IKKLZEFVGBGXSO-OAHLLOKOSA-N 1 0 301.455 4.281 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CCCC#N)ccc1OCCC(C)C ZINC000180361758 333161275 /nfs/dbraw/zinc/16/12/75/333161275.db2.gz UJPCPFVTQHUJRI-HNNXBMFYSA-N 1 0 304.434 4.074 20 30 DIEDRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180557010 333163123 /nfs/dbraw/zinc/16/31/23/333163123.db2.gz RRFXPNHUARZFEM-HNAYVOBHSA-N 1 0 306.409 4.236 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180555820 333163264 /nfs/dbraw/zinc/16/32/64/333163264.db2.gz BGRDLFAPXYRIJP-FOIQADDNSA-N 1 0 306.409 4.317 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000181642913 333171008 /nfs/dbraw/zinc/17/10/08/333171008.db2.gz SEZDQEMYEXEULO-KXBFYZLASA-N 1 0 322.408 4.153 20 30 DIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CCCSCC#N ZINC000181717311 333171665 /nfs/dbraw/zinc/17/16/65/333171665.db2.gz VNKWMYCYXULKNW-INIZCTEOSA-N 1 0 306.475 4.019 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000181754576 333171963 /nfs/dbraw/zinc/17/19/63/333171963.db2.gz BAIMABUPCIGQLH-LPHOPBHVSA-N 1 0 323.440 4.340 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181865921 333173061 /nfs/dbraw/zinc/17/30/61/333173061.db2.gz SUKMGGBQBRHKMI-JCGIZDLHSA-N 1 0 318.486 4.304 20 30 DIEDRO C[N@@H+](CCCC#N)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000108374295 333176640 /nfs/dbraw/zinc/17/66/40/333176640.db2.gz OUNLBFXKPPILRU-UHFFFAOYSA-N 1 0 310.445 4.025 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CC=CCC2)ccc1OC ZINC000518781125 333184024 /nfs/dbraw/zinc/18/40/24/333184024.db2.gz RNTBUZQQSONHRC-INIZCTEOSA-N 1 0 301.430 4.096 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1ccccc1C(C)(C)C#N)c1nccs1 ZINC000183971081 333190497 /nfs/dbraw/zinc/19/04/97/333190497.db2.gz SOEHJABZPFRUOL-AWEZNQCLSA-N 1 0 313.470 4.180 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185422940 333208642 /nfs/dbraw/zinc/20/86/42/333208642.db2.gz LWAXFVQGIUNRLQ-FQEVSTJZSA-N 1 0 322.452 4.307 20 30 DIEDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000186150759 333217505 /nfs/dbraw/zinc/21/75/05/333217505.db2.gz BNFJCYSFCVUUCF-KDOFPFPSSA-N 1 0 310.397 4.096 20 30 DIEDRO COc1ccsc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000186226469 333217927 /nfs/dbraw/zinc/21/79/27/333217927.db2.gz WYRCRZLWFKGUFL-UKRRQHHQSA-N 1 0 300.427 4.452 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000497262217 333228806 /nfs/dbraw/zinc/22/88/06/333228806.db2.gz ONVBLWHZUUDEDB-UHFFFAOYSA-N 1 0 310.441 4.285 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000497263127 333228835 /nfs/dbraw/zinc/22/88/35/333228835.db2.gz SADWPCNZZMOJOP-ZBEGNZNMSA-N 1 0 320.845 4.139 20 30 DIEDRO C=CCSCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498768102 333254217 /nfs/dbraw/zinc/25/42/17/333254217.db2.gz XGXMTTJKEMJXIV-IBGZPJMESA-N 1 0 324.449 4.426 20 30 DIEDRO CC[N@H+](CCOc1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593555 333267365 /nfs/dbraw/zinc/26/73/65/333267365.db2.gz DTYMVPGYMKFVGY-HNNXBMFYSA-N 1 0 312.388 4.159 20 30 DIEDRO CC[N@H+](CCc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497617466 333270126 /nfs/dbraw/zinc/27/01/26/333270126.db2.gz DRPVFRDCSLVHKC-MRXNPFEDSA-N 1 0 308.425 4.192 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000116926681 333282603 /nfs/dbraw/zinc/28/26/03/333282603.db2.gz ILOHYWRSDGLVOJ-CYBMUJFWSA-N 1 0 302.443 4.085 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192043488 333284711 /nfs/dbraw/zinc/28/47/11/333284711.db2.gz JTKMBWSIHKZDPO-CVEARBPZSA-N 1 0 306.837 4.090 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C1 ZINC000193298958 333301345 /nfs/dbraw/zinc/30/13/45/333301345.db2.gz DPNWHTIKGUQCHV-OALUTQOASA-N 1 0 312.457 4.045 20 30 DIEDRO CC[C@@H]1C[C@]1([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(C)c1 ZINC000502550157 333302341 /nfs/dbraw/zinc/30/23/41/333302341.db2.gz HHBSUIPLUDNYMV-YLJYHZDGSA-N 1 0 308.400 4.421 20 30 DIEDRO CCCNc1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000193358333 333302374 /nfs/dbraw/zinc/30/23/74/333302374.db2.gz UMKXJEZZBXSFAL-INIZCTEOSA-N 1 0 323.440 4.262 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390578775 333302810 /nfs/dbraw/zinc/30/28/10/333302810.db2.gz DJWBZAWRSKYNSE-IEBWSBKVSA-N 1 0 300.490 4.231 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000111390625 333329388 /nfs/dbraw/zinc/32/93/88/333329388.db2.gz NYFMLWUAECFERH-LJQANCHMSA-N 1 0 320.436 4.189 20 30 DIEDRO CC[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)Oc1cccc(Cl)c1 ZINC000463234042 333350149 /nfs/dbraw/zinc/35/01/49/333350149.db2.gz QYOYLATZWQDZLC-NUEKZKHPSA-N 1 0 306.837 4.169 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2cnc(C3CCCCC3)s2)c1 ZINC000531451644 333355722 /nfs/dbraw/zinc/35/57/22/333355722.db2.gz ITSUDBLJOZRSTK-UHFFFAOYSA-N 1 0 311.454 4.352 20 30 DIEDRO CC1(C)CCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000583454396 333357341 /nfs/dbraw/zinc/35/73/41/333357341.db2.gz IXZVTRJPKAMKTA-KRWDZBQOSA-N 1 0 300.446 4.285 20 30 DIEDRO CCCCOc1ccc(CC[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000463286087 333370187 /nfs/dbraw/zinc/37/01/87/333370187.db2.gz KTPPCWQWHIKAND-ROUUACIJSA-N 1 0 300.446 4.080 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000221938280 333382926 /nfs/dbraw/zinc/38/29/26/333382926.db2.gz FRLVQOOIZWDSHF-NSHDSACASA-N 1 0 305.365 4.155 20 30 DIEDRO C=C(C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)c1ccccc1 ZINC000338173494 333474019 /nfs/dbraw/zinc/47/40/19/333474019.db2.gz AXISUBOQLXYHJB-NRFANRHFSA-N 1 0 315.420 4.063 20 30 DIEDRO C=CCCCC[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000338793809 333498557 /nfs/dbraw/zinc/49/85/57/333498557.db2.gz OJKTXHZWAPIUJB-MSOLQXFVSA-N 1 0 301.430 4.114 20 30 DIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)cs1 ZINC000339066532 333507889 /nfs/dbraw/zinc/50/78/89/333507889.db2.gz FSQZZYZAAVSWBV-QEORTHHSSA-N 1 0 311.454 4.461 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)CC)c1ccc(C(F)(F)F)cc1 ZINC000339074429 333508228 /nfs/dbraw/zinc/50/82/28/333508228.db2.gz MFVBHTPHFKENRQ-HUUCEWRRSA-N 1 0 301.352 4.073 20 30 DIEDRO N#CCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237970627 333525190 /nfs/dbraw/zinc/52/51/90/333525190.db2.gz GGCGKSVEOQMGAJ-UHFFFAOYSA-N 1 0 315.398 4.107 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000531720288 333550740 /nfs/dbraw/zinc/55/07/40/333550740.db2.gz KDQIQGUHKKWLOR-FOIQADDNSA-N 1 0 316.464 4.079 20 30 DIEDRO C=C(C[NH2+]Cc1cccc(Br)c1)c1ccccc1 ZINC000110057652 333555012 /nfs/dbraw/zinc/55/50/12/333555012.db2.gz QPWROLKGEJSAIB-UHFFFAOYSA-N 1 0 302.215 4.252 20 30 DIEDRO C=C(C[NH2+]Cc1cc(Br)ccc1F)c1ccccc1 ZINC000110057721 333555116 /nfs/dbraw/zinc/55/51/16/333555116.db2.gz AXYDEYQRBMPLKS-UHFFFAOYSA-N 1 0 320.205 4.391 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ncc(Br)s1 ZINC000563417395 333602697 /nfs/dbraw/zinc/60/26/97/333602697.db2.gz LZXPFFTXEWODCC-SNVBAGLBSA-N 1 0 303.269 4.303 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]Cc1cc(C)nc(N2CCCC2)c1 ZINC000571096801 333660144 /nfs/dbraw/zinc/66/01/44/333660144.db2.gz TWOKLFYPLNPXIE-SFHVURJKSA-N 1 0 301.478 4.215 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000411493129 333681013 /nfs/dbraw/zinc/68/10/13/333681013.db2.gz RTEWPEBXSOTWAE-AWEZNQCLSA-N 1 0 301.390 4.110 20 30 DIEDRO C[C@@H](CCC#N)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000411718000 333703522 /nfs/dbraw/zinc/70/35/22/333703522.db2.gz JWKVDYBKKJFCLI-XHDPSFHLSA-N 1 0 312.335 4.318 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000186036806 335155762 /nfs/dbraw/zinc/15/57/62/335155762.db2.gz PNRLBZCROSDAPL-CQSZACIVSA-N 1 0 301.459 4.082 20 30 DIEDRO CC1CC[NH+](CCc2cccc(N[C@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442828923 335157691 /nfs/dbraw/zinc/15/76/91/335157691.db2.gz SQXXQIRTSBNVBJ-ICSRJNTNSA-N 1 0 311.473 4.065 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccc(C#N)c(F)c1 ZINC000414142806 333902319 /nfs/dbraw/zinc/90/23/19/333902319.db2.gz JDLSOTKZBKJRJO-LSDHHAIUSA-N 1 0 311.404 4.154 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(OC(F)(F)F)c1 ZINC000414159309 333914696 /nfs/dbraw/zinc/91/46/96/333914696.db2.gz BCBHKGHCWHRPJN-LLVKDONJSA-N 1 0 300.324 4.176 20 30 DIEDRO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000414240263 333918434 /nfs/dbraw/zinc/91/84/34/333918434.db2.gz ZKKFEYORODPPOA-ZDUSSCGKSA-N 1 0 311.404 4.241 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)CC(F)(F)F ZINC000414508804 334002209 /nfs/dbraw/zinc/00/22/09/334002209.db2.gz BRJGAEWYNDPTDT-SECBINFHSA-N 1 0 324.268 4.255 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000414540645 334013166 /nfs/dbraw/zinc/01/31/66/334013166.db2.gz USPSZMNBKNLHGI-GOSISDBHSA-N 1 0 309.457 4.051 20 30 DIEDRO COC(C)(C)C[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271077746 334018155 /nfs/dbraw/zinc/01/81/55/334018155.db2.gz PKJCPTPSXJESQK-PPDQVPDSSA-N 1 0 314.473 4.184 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1 ZINC000271685954 334025624 /nfs/dbraw/zinc/02/56/24/334025624.db2.gz PWDCWOOQXIAJFE-HNNXBMFYSA-N 1 0 308.425 4.347 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000271700938 334025691 /nfs/dbraw/zinc/02/56/91/334025691.db2.gz NPHGOPQKRQWPLP-HNNXBMFYSA-N 1 0 308.425 4.347 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CC2)ccc1F ZINC000271800797 334027138 /nfs/dbraw/zinc/02/71/38/334027138.db2.gz XSWHYLBGOLTEHL-HXUWFJFHSA-N 1 0 324.399 4.277 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000271846038 334027839 /nfs/dbraw/zinc/02/78/39/334027839.db2.gz WTMPIVUTFPLMIF-UHFFFAOYSA-N 1 0 314.816 4.267 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000271914430 334028842 /nfs/dbraw/zinc/02/88/42/334028842.db2.gz BUNGVBBEXWGNKQ-PBHICJAKSA-N 1 0 316.420 4.230 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271989249 334029441 /nfs/dbraw/zinc/02/94/41/334029441.db2.gz YSNSNEKJUUDLNL-IFXJQAMLSA-N 1 0 307.372 4.393 20 30 DIEDRO CC1(C#N)CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000272475567 334035199 /nfs/dbraw/zinc/03/51/99/334035199.db2.gz ALZWCLQTDFTFPU-UHFFFAOYSA-N 1 0 315.804 4.121 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C1 ZINC000274226616 334057299 /nfs/dbraw/zinc/05/72/99/334057299.db2.gz RGLBPCTZXJVYMY-JQWIXIFHSA-N 1 0 305.834 4.122 20 30 DIEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1nc2ccccc2n1C(F)F ZINC000275426274 334070956 /nfs/dbraw/zinc/07/09/56/334070956.db2.gz GSBQVRVHBBBKRZ-LBPRGKRZSA-N 1 0 320.387 4.412 20 30 DIEDRO CN(c1ccccc1)C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000277716029 334090314 /nfs/dbraw/zinc/09/03/14/334090314.db2.gz NALBPNWXBIGKMI-UHFFFAOYSA-N 1 0 313.489 4.307 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000277744492 334090579 /nfs/dbraw/zinc/09/05/79/334090579.db2.gz PCVXOIXAYUYJRW-UHFFFAOYSA-N 1 0 318.436 4.141 20 30 DIEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000278878074 334102533 /nfs/dbraw/zinc/10/25/33/334102533.db2.gz HSBCJFFHULTOTL-VIFPVBQESA-N 1 0 305.369 4.142 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(OCC#N)cc1 ZINC000280726097 334119443 /nfs/dbraw/zinc/11/94/43/334119443.db2.gz GIRHGMDQLPZKIH-XIRDDKMYSA-N 1 0 324.399 4.325 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000280810746 334120405 /nfs/dbraw/zinc/12/04/05/334120405.db2.gz MBJHZDRBKCJFBQ-ATZDWAIDSA-N 1 0 306.409 4.186 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000280946161 334121602 /nfs/dbraw/zinc/12/16/02/334121602.db2.gz JGPLMFGIJFRBHY-XOBRGWDASA-N 1 0 324.399 4.456 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]CCCC1(C#N)CCOCC1)C(C)C ZINC000281142297 334123232 /nfs/dbraw/zinc/12/32/32/334123232.db2.gz AUZUSKLEZWWRMI-LJQANCHMSA-N 1 0 314.473 4.382 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000281215311 334124002 /nfs/dbraw/zinc/12/40/02/334124002.db2.gz BICBXERKMJNHSP-OAHLLOKOSA-N 1 0 318.486 4.160 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000281460424 334126310 /nfs/dbraw/zinc/12/63/10/334126310.db2.gz AVLFSJOLEBONFS-UHFFFAOYSA-N 1 0 311.454 4.230 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000281729449 334128109 /nfs/dbraw/zinc/12/81/09/334128109.db2.gz PQJXOIYBCFSYOI-UHFFFAOYSA-N 1 0 314.326 4.264 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)ccc1OCC(C)C ZINC000281878252 334129146 /nfs/dbraw/zinc/12/91/46/334129146.db2.gz FXDVBOAHXLWCBZ-ZOBUZTSGSA-N 1 0 316.445 4.073 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)c(C)s1 ZINC000281899219 334129302 /nfs/dbraw/zinc/12/93/02/334129302.db2.gz FOQBWXXKPFLTLU-AWEZNQCLSA-N 1 0 306.475 4.116 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)c(C)s1 ZINC000281899226 334129347 /nfs/dbraw/zinc/12/93/47/334129347.db2.gz FOQBWXXKPFLTLU-CQSZACIVSA-N 1 0 306.475 4.116 20 30 DIEDRO N#CC1(CCC[N@H+]2CCC[C@H]2c2cccc(F)c2)CCOCC1 ZINC000281901021 334129533 /nfs/dbraw/zinc/12/95/33/334129533.db2.gz FPYVNQYLOIMFHV-SFHVURJKSA-N 1 0 316.420 4.063 20 30 DIEDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281942578 334129825 /nfs/dbraw/zinc/12/98/25/334129825.db2.gz IWZXSPXGRRXCMZ-MRXNPFEDSA-N 1 0 318.486 4.158 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCCCC[C@@H]2c2ccco2)CCOCC1 ZINC000281962036 334129907 /nfs/dbraw/zinc/12/99/07/334129907.db2.gz KMLVHDFSQUEDLG-QGZVFWFLSA-N 1 0 316.445 4.297 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281958335 334129949 /nfs/dbraw/zinc/12/99/49/334129949.db2.gz KEOQRPPCGADEIJ-GOSISDBHSA-N 1 0 300.446 4.074 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)C(C)(C)c1ccccc1 ZINC000282060607 334130935 /nfs/dbraw/zinc/13/09/35/334130935.db2.gz SBXFEXOICPBXRN-KRWDZBQOSA-N 1 0 314.473 4.043 20 30 DIEDRO CC(C)(C)[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282090835 334131173 /nfs/dbraw/zinc/13/11/73/334131173.db2.gz VGEXARDXZUHYQI-UHFFFAOYSA-N 1 0 314.473 4.388 20 30 DIEDRO COCCC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000282173282 334132198 /nfs/dbraw/zinc/13/21/98/334132198.db2.gz FCXTUUGQNFPFRF-LADRWXRNSA-N 1 0 318.436 4.213 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000282518539 334135296 /nfs/dbraw/zinc/13/52/96/334135296.db2.gz ZLZQUBRZQIOFFE-LBXVMSDZSA-N 1 0 305.425 4.091 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000282518542 334135319 /nfs/dbraw/zinc/13/53/19/334135319.db2.gz ZLZQUBRZQIOFFE-UHYCVJNDSA-N 1 0 305.425 4.091 20 30 DIEDRO CC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000285378416 334147513 /nfs/dbraw/zinc/14/75/13/334147513.db2.gz GMEQAJSHWANMJZ-MRXNPFEDSA-N 1 0 318.461 4.465 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2sccc2OC)cc1 ZINC000287570162 334157977 /nfs/dbraw/zinc/15/79/77/334157977.db2.gz QOZOMIVSIMJELB-CYBMUJFWSA-N 1 0 303.427 4.172 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000289827247 334168255 /nfs/dbraw/zinc/16/82/55/334168255.db2.gz PCQFVKBRMUCLIA-OAHLLOKOSA-N 1 0 308.491 4.117 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000290249386 334171980 /nfs/dbraw/zinc/17/19/80/334171980.db2.gz JTQXLEWZECFYRJ-ZOJXTTQQSA-N 1 0 307.441 4.465 20 30 DIEDRO N#CCCCC[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000292758555 334191889 /nfs/dbraw/zinc/19/18/89/334191889.db2.gz SEOXEJBRUKXETN-OAHLLOKOSA-N 1 0 321.262 4.007 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292872459 334193437 /nfs/dbraw/zinc/19/34/37/334193437.db2.gz XGIPZKWKGMCXQA-SFHVURJKSA-N 1 0 314.473 4.200 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000340430458 334198974 /nfs/dbraw/zinc/19/89/74/334198974.db2.gz UKJHESAWJHCXJZ-OAHLLOKOSA-N 1 0 300.446 4.066 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000340432354 334199072 /nfs/dbraw/zinc/19/90/72/334199072.db2.gz NDIFNQQORRXLEW-UXHICEINSA-N 1 0 320.436 4.405 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562540 334199187 /nfs/dbraw/zinc/19/91/87/334199187.db2.gz MGGZYVUIHDSKOP-IVMMDQJWSA-N 1 0 306.862 4.199 20 30 DIEDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000340444155 334203041 /nfs/dbraw/zinc/20/30/41/334203041.db2.gz CFGPHKFQUBBPST-APWZRJJASA-N 1 0 323.440 4.046 20 30 DIEDRO N#CCCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293941500 334203718 /nfs/dbraw/zinc/20/37/18/334203718.db2.gz YRYUHJWVHIADCF-IBGZPJMESA-N 1 0 308.425 4.350 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1(C)C ZINC000340449207 334203957 /nfs/dbraw/zinc/20/39/57/334203957.db2.gz UBDLCJQSJPNVOX-OKZBNKHCSA-N 1 0 300.446 4.215 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000294923588 334214354 /nfs/dbraw/zinc/21/43/54/334214354.db2.gz FTYPALOCHVFHHE-HWKANZROSA-N 1 0 321.262 4.382 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294963011 334215088 /nfs/dbraw/zinc/21/50/88/334215088.db2.gz FBMGJSJAEJUOEV-INWMFGNUSA-N 1 0 310.363 4.308 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000295019333 334215675 /nfs/dbraw/zinc/21/56/75/334215675.db2.gz KJAZHEMOAHGVQP-PXNSSMCTSA-N 1 0 304.437 4.490 20 30 DIEDRO C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295055270 334216278 /nfs/dbraw/zinc/21/62/78/334216278.db2.gz NTJIIKDMVRKDOL-HUUYWPLNSA-N 1 0 320.383 4.363 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H](C)c1nc2ccccc2s1 ZINC000295128570 334219116 /nfs/dbraw/zinc/21/91/16/334219116.db2.gz XQUFUOMKZDXCQW-XGUBFFRZSA-N 1 0 313.470 4.460 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000296279009 334231314 /nfs/dbraw/zinc/23/13/14/334231314.db2.gz DYKZPNWFIYRLCN-DYEKYZERSA-N 1 0 312.335 4.318 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(OC(F)F)cc1 ZINC000296444758 334234126 /nfs/dbraw/zinc/23/41/26/334234126.db2.gz MNJBQSBVPRLVTL-NOLJZWGESA-N 1 0 308.372 4.411 20 30 DIEDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000296484080 334234429 /nfs/dbraw/zinc/23/44/29/334234429.db2.gz OJTSYCHHHMQJDA-IHRRRGAJSA-N 1 0 308.372 4.329 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc([N+](=O)[O-])cc1 ZINC000296846321 334237256 /nfs/dbraw/zinc/23/72/56/334237256.db2.gz XPVBFGWRTPTVLB-AWEZNQCLSA-N 1 0 323.396 4.247 20 30 DIEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000299721966 334257579 /nfs/dbraw/zinc/25/75/79/334257579.db2.gz SNFBWQHBIOCWCW-HOTGVXAUSA-N 1 0 309.413 4.003 20 30 DIEDRO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@@H](C)CCC#N)C3)cs1 ZINC000299713563 334257637 /nfs/dbraw/zinc/25/76/37/334257637.db2.gz QVVWHFWAIUUDSF-NSHDSACASA-N 1 0 317.483 4.230 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000048367610 334279391 /nfs/dbraw/zinc/27/93/91/334279391.db2.gz PFKDQTSFEZOLGX-LBPRGKRZSA-N 1 0 320.314 4.308 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH+](CCC)CCC ZINC000302816413 334290765 /nfs/dbraw/zinc/29/07/65/334290765.db2.gz VYYSUAGVNDNEFB-UHFFFAOYSA-N 1 0 306.475 4.025 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000303809324 334328093 /nfs/dbraw/zinc/32/80/93/334328093.db2.gz YOXMEDPHJQNQFN-RDJZCZTQSA-N 1 0 308.400 4.384 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(COC)cc1 ZINC000535076243 334365248 /nfs/dbraw/zinc/36/52/48/334365248.db2.gz YNRPACFSVABMQJ-UHFFFAOYSA-N 1 0 308.425 4.117 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)cc1OCCCC#N ZINC000535085115 334366964 /nfs/dbraw/zinc/36/69/64/334366964.db2.gz RRLYRYSKPIVIKN-HNNXBMFYSA-N 1 0 318.461 4.244 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)cc1OCCCC#N ZINC000535085116 334366984 /nfs/dbraw/zinc/36/69/84/334366984.db2.gz RRLYRYSKPIVIKN-OAHLLOKOSA-N 1 0 318.461 4.244 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000443109311 338445084 /nfs/dbraw/zinc/44/50/84/338445084.db2.gz YGOQHCGFHMSNCX-FXAWDEMLSA-N 1 0 322.452 4.181 20 30 DIEDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000443207855 338447452 /nfs/dbraw/zinc/44/74/52/338447452.db2.gz LFWOMFMDQSXGKK-LZJOCLMNSA-N 1 0 321.468 4.209 20 30 DIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341710663 334472590 /nfs/dbraw/zinc/47/25/90/334472590.db2.gz NQBIZHBBBHMDLB-VFNWGFHPSA-N 1 0 320.436 4.252 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341759525 334478123 /nfs/dbraw/zinc/47/81/23/334478123.db2.gz GPDCXKGWOCOJSO-JLTOFOAXSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000341760630 334478233 /nfs/dbraw/zinc/47/82/33/334478233.db2.gz MGZLJYDDOKAQFK-YJYMSZOUSA-N 1 0 321.380 4.195 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000341871398 334488380 /nfs/dbraw/zinc/48/83/80/334488380.db2.gz FOIGBBCOWSUUDE-WCQYABFASA-N 1 0 322.499 4.015 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCCC[C@H]1CC)c1ccccc1 ZINC000341937055 334494257 /nfs/dbraw/zinc/49/42/57/334494257.db2.gz BIPVRPUTYMHDJB-MOPGFXCFSA-N 1 0 314.473 4.075 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCCC[C@@H]1CC)c1ccccc1 ZINC000341937057 334494290 /nfs/dbraw/zinc/49/42/90/334494290.db2.gz BIPVRPUTYMHDJB-RBUKOAKNSA-N 1 0 314.473 4.075 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cncn1C)c1ccc(C(F)(F)F)cc1 ZINC000342188086 334515675 /nfs/dbraw/zinc/51/56/75/334515675.db2.gz BTMMSBHSTHMYTQ-INIZCTEOSA-N 1 0 323.362 4.236 20 30 DIEDRO C=CCC[C@H]([NH2+]CCn1cccn1)c1ccc(C(F)(F)F)cc1 ZINC000342188079 334515765 /nfs/dbraw/zinc/51/57/65/334515765.db2.gz BRROYVWSTHYSOJ-INIZCTEOSA-N 1 0 323.362 4.199 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000342190837 334516023 /nfs/dbraw/zinc/51/60/23/334516023.db2.gz JCNKCZFWFUZUSP-INIZCTEOSA-N 1 0 323.362 4.236 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000342274385 334529425 /nfs/dbraw/zinc/52/94/25/334529425.db2.gz HZPWGGFRZWNWMG-UHFFFAOYSA-N 1 0 305.472 4.291 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342798186 334572685 /nfs/dbraw/zinc/57/26/85/334572685.db2.gz RYZVQGGPNFZNFF-LJQANCHMSA-N 1 0 316.408 4.003 20 30 DIEDRO C=CCC[C@H](NC(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000415944449 334634927 /nfs/dbraw/zinc/63/49/27/334634927.db2.gz PFPCTXBXINKAMQ-IBGZPJMESA-N 1 0 323.440 4.235 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417347470 334706158 /nfs/dbraw/zinc/70/61/58/334706158.db2.gz HLBSJHIODAMYHE-BYCMXARLSA-N 1 0 300.402 4.041 20 30 DIEDRO Cc1cccc2nc(C3CC[NH+]([C@H]4CC[C@H](C#N)C4)CC3)oc21 ZINC000328845738 334759738 /nfs/dbraw/zinc/75/97/38/334759738.db2.gz QHEFGESFQMZQFT-HOCLYGCPSA-N 1 0 309.413 4.008 20 30 DIEDRO CC(C)[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417375927 334765284 /nfs/dbraw/zinc/76/52/84/334765284.db2.gz ZYNSAWROFHAEIP-QUCCMNQESA-N 1 0 323.415 4.457 20 30 DIEDRO CO[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CC(C)C ZINC000417376149 334765519 /nfs/dbraw/zinc/76/55/19/334765519.db2.gz QSIAHYVNJPXDTD-IOJLRTSASA-N 1 0 314.473 4.041 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)ccc1C#N ZINC000443979611 338465281 /nfs/dbraw/zinc/46/52/81/338465281.db2.gz PGICFWAABDEGLQ-SFTDATJTSA-N 1 0 320.436 4.124 20 30 DIEDRO COc1ccc([C@@H](C)CC[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443982890 338465324 /nfs/dbraw/zinc/46/53/24/338465324.db2.gz DYPTVBSOVFHRME-HNNXBMFYSA-N 1 0 308.425 4.159 20 30 DIEDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000425338994 334801378 /nfs/dbraw/zinc/80/13/78/334801378.db2.gz BXIJQNSRNDELNQ-MOPGFXCFSA-N 1 0 308.450 4.209 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)ccc1C#N ZINC000444001271 338466514 /nfs/dbraw/zinc/46/65/14/338466514.db2.gz AZYNJALVPJPPCR-QGZVFWFLSA-N 1 0 318.342 4.302 20 30 DIEDRO COc1ccc(C[NH2+]CC(C)(C)C(C)C)cc1OCCCC#N ZINC000189469190 334897201 /nfs/dbraw/zinc/89/72/01/334897201.db2.gz FSDXVUKBVVGMBI-UHFFFAOYSA-N 1 0 318.461 4.150 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000343631315 335183096 /nfs/dbraw/zinc/18/30/96/335183096.db2.gz YXOHIHKEPKVPPG-NRFANRHFSA-N 1 0 315.420 4.030 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(F)ccc1F ZINC000343698780 335188843 /nfs/dbraw/zinc/18/88/43/335188843.db2.gz UNCRJKYTTIZRHZ-GOSISDBHSA-N 1 0 300.352 4.272 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1COc2ccccc21 ZINC000343930646 335202684 /nfs/dbraw/zinc/20/26/84/335202684.db2.gz LZBAAWLAPRHLLS-XLIONFOSSA-N 1 0 318.420 4.092 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000343888663 335203887 /nfs/dbraw/zinc/20/38/87/335203887.db2.gz DPYKGQROUOFGNI-UHFFFAOYSA-N 1 0 313.214 4.008 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)CN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000344047977 335213000 /nfs/dbraw/zinc/21/30/00/335213000.db2.gz KORQHONGRRLJKZ-LAUBAEHRSA-N 1 0 321.468 4.119 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)o2)cs1 ZINC000344109995 335223945 /nfs/dbraw/zinc/22/39/45/335223945.db2.gz YLGUHWXLRHVHEA-LBPRGKRZSA-N 1 0 323.421 4.434 20 30 DIEDRO N#CCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000344332263 335241707 /nfs/dbraw/zinc/24/17/07/335241707.db2.gz YSCLNLPVHIXIJF-UHFFFAOYSA-N 1 0 314.816 4.312 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C12CCCC2 ZINC000344339303 335242490 /nfs/dbraw/zinc/24/24/90/335242490.db2.gz WSBNQTVTIBHPAK-GUDVDZBRSA-N 1 0 312.457 4.359 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(COc2ccccc2)CC1 ZINC000444594453 338475859 /nfs/dbraw/zinc/47/58/59/338475859.db2.gz SROWCRBAYCULPX-UHFFFAOYSA-N 1 0 314.473 4.497 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)cs2)c2ccc(F)cc2O1 ZINC000345029523 335293131 /nfs/dbraw/zinc/29/31/31/335293131.db2.gz NTAQIKAYBFGYBT-OAHLLOKOSA-N 1 0 316.401 4.151 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1F ZINC000346873497 335446883 /nfs/dbraw/zinc/44/68/83/335446883.db2.gz OFNALNRVNGXEIH-RBZFPXEDSA-N 1 0 319.383 4.297 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1F ZINC000346873500 335446889 /nfs/dbraw/zinc/44/68/89/335446889.db2.gz OFNALNRVNGXEIH-ZUOKHONESA-N 1 0 319.383 4.297 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000367002743 335517159 /nfs/dbraw/zinc/51/71/59/335517159.db2.gz BSUHBOXKPBFRDW-BHIYHBOVSA-N 1 0 320.436 4.322 20 30 DIEDRO COCC(C)(C)CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000348328828 335577997 /nfs/dbraw/zinc/57/79/97/335577997.db2.gz QKABVIDLZHAVRW-LJQANCHMSA-N 1 0 314.473 4.368 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000367034912 335588944 /nfs/dbraw/zinc/58/89/44/335588944.db2.gz FIGKENGXZZWLII-WZOJCFFYSA-N 1 0 311.473 4.336 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000314648456 335647985 /nfs/dbraw/zinc/64/79/85/335647985.db2.gz GCBYUFZCUNDEJN-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(C(F)(F)F)cc1 ZINC000093492246 335653006 /nfs/dbraw/zinc/65/30/06/335653006.db2.gz JTFWVZSPNNNWPX-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1OCCCC#N ZINC000350629015 335767294 /nfs/dbraw/zinc/76/72/94/335767294.db2.gz KYFNNAVAKLSZOK-MRXNPFEDSA-N 1 0 316.445 4.046 20 30 DIEDRO N#CC1(NC(=O)C[NH2+][C@H]2CCCCC23CCCC3)CCCCC1 ZINC000329603913 336003699 /nfs/dbraw/zinc/00/36/99/336003699.db2.gz GOESHPQYBWIALA-INIZCTEOSA-N 1 0 317.477 4.262 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192377379 336030297 /nfs/dbraw/zinc/03/02/97/336030297.db2.gz QIAWCKHJPREAII-FPOVZHCZSA-N 1 0 323.436 4.119 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[C@@H]1C ZINC000351582576 336046885 /nfs/dbraw/zinc/04/68/85/336046885.db2.gz QNBMFUPBIJLOLO-SOLBZPMBSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccccc1 ZINC000351584001 336047234 /nfs/dbraw/zinc/04/72/34/336047234.db2.gz RXRZPDPXYGCGMN-UHFFFAOYSA-N 1 0 307.397 4.166 20 30 DIEDRO CCc1nc2cc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)ccc2o1 ZINC000330309175 336146402 /nfs/dbraw/zinc/14/64/02/336146402.db2.gz UAHQHTFKRGXOTO-AWEZNQCLSA-N 1 0 315.417 4.243 20 30 DIEDRO CCc1nc2cc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)ccc2o1 ZINC000330309176 336146547 /nfs/dbraw/zinc/14/65/47/336146547.db2.gz UAHQHTFKRGXOTO-CQSZACIVSA-N 1 0 315.417 4.243 20 30 DIEDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)on1 ZINC000331822903 336149877 /nfs/dbraw/zinc/14/98/77/336149877.db2.gz MMPYRTHVDQUGRV-KRWDZBQOSA-N 1 0 309.413 4.121 20 30 DIEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332180168 336161868 /nfs/dbraw/zinc/16/18/68/336161868.db2.gz VJWSXVRDQFLQLA-MRXNPFEDSA-N 1 0 324.428 4.009 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c(F)c1 ZINC000532565954 336255749 /nfs/dbraw/zinc/25/57/49/336255749.db2.gz BMJMVBJAHVHKOX-PXNSSMCTSA-N 1 0 308.400 4.198 20 30 DIEDRO CN(C)c1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000532590380 336256719 /nfs/dbraw/zinc/25/67/19/336256719.db2.gz WETVWRSXSNDXOH-FPOVZHCZSA-N 1 0 319.452 4.024 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000532574401 336256854 /nfs/dbraw/zinc/25/68/54/336256854.db2.gz GMJNTXYEHZLMGI-LJQANCHMSA-N 1 0 308.425 4.264 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000030669737 336267762 /nfs/dbraw/zinc/26/77/62/336267762.db2.gz ZSUQSHKDGKLLMI-UHFFFAOYSA-N 1 0 306.340 4.247 20 30 DIEDRO C[C@@H]([NH2+]Cc1sccc1Br)c1ccc(C#N)cc1 ZINC000043675068 336270750 /nfs/dbraw/zinc/27/07/50/336270750.db2.gz GZCRYIRTIHRQFD-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000192931714 336284623 /nfs/dbraw/zinc/28/46/23/336284623.db2.gz IDVWEGNXKBMJBR-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000192988718 336286541 /nfs/dbraw/zinc/28/65/41/336286541.db2.gz USVSSVCNUYAUNQ-XOBRGWDASA-N 1 0 306.409 4.369 20 30 DIEDRO C[C@H]([NH2+]C1(CNc2ccc(C#N)cn2)CCCC1)c1ccccc1 ZINC000301159231 336292482 /nfs/dbraw/zinc/29/24/82/336292482.db2.gz CZIDHPPSJKSHJK-INIZCTEOSA-N 1 0 320.440 4.029 20 30 DIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000301323074 336300565 /nfs/dbraw/zinc/30/05/65/336300565.db2.gz VFXKCIBGGMJMPF-HNNXBMFYSA-N 1 0 323.415 4.335 20 30 DIEDRO CCC[NH+]1CCC(Nc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000301337204 336301325 /nfs/dbraw/zinc/30/13/25/336301325.db2.gz GSHGSHVNUNCARJ-UHFFFAOYSA-N 1 0 322.456 4.010 20 30 DIEDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc(F)cc1C#N ZINC000301349938 336301961 /nfs/dbraw/zinc/30/19/61/336301961.db2.gz IMVGOJOWRIFSIZ-UHFFFAOYSA-N 1 0 311.404 4.150 20 30 DIEDRO Cc1cc(C)c2ncc(C#N)c(NC3CC[NH+](C(C)C)CC3)c2c1 ZINC000301366949 336302853 /nfs/dbraw/zinc/30/28/53/336302853.db2.gz SONLCFIVUCSRIV-UHFFFAOYSA-N 1 0 322.456 4.008 20 30 DIEDRO N#Cc1ccc(NC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000301573340 336315732 /nfs/dbraw/zinc/31/57/32/336315732.db2.gz XTEIPWWTOQKUBH-UHFFFAOYSA-N 1 0 303.837 4.031 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000301998742 336342285 /nfs/dbraw/zinc/34/22/85/336342285.db2.gz QVWBEQXQCCOIQE-OAHLLOKOSA-N 1 0 306.413 4.071 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccco1 ZINC000514106389 336361031 /nfs/dbraw/zinc/36/10/31/336361031.db2.gz YDRSDOBNDCGMQT-DLBZAZTESA-N 1 0 314.429 4.307 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000514129702 336374857 /nfs/dbraw/zinc/37/48/57/336374857.db2.gz AHFAWTDPXGLNBC-INIZCTEOSA-N 1 0 316.395 4.473 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000352956543 336379326 /nfs/dbraw/zinc/37/93/26/336379326.db2.gz VXFPAJOOAFORFV-UHFFFAOYSA-N 1 0 310.388 4.042 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC000514636940 336387055 /nfs/dbraw/zinc/38/70/55/336387055.db2.gz FIGYEYBBOWPWQD-MOPGFXCFSA-N 1 0 324.399 4.132 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC000514636943 336387077 /nfs/dbraw/zinc/38/70/77/336387077.db2.gz FIGYEYBBOWPWQD-RTBURBONSA-N 1 0 324.399 4.132 20 30 DIEDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000514638490 336387285 /nfs/dbraw/zinc/38/72/85/336387285.db2.gz ARDSQZYKKSRPOL-ZDUSSCGKSA-N 1 0 316.392 4.150 20 30 DIEDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2cccc(C#N)c2)ccn1 ZINC000111387516 336398104 /nfs/dbraw/zinc/39/81/04/336398104.db2.gz NSQLLVFODVGDCL-MRXNPFEDSA-N 1 0 323.440 4.056 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3CC34CC4)c2)c1 ZINC000418093761 336399165 /nfs/dbraw/zinc/39/91/65/336399165.db2.gz JIWAZJABEQQBKK-IBGZPJMESA-N 1 0 318.420 4.027 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3CC34CC4)c2)c1 ZINC000418093768 336399224 /nfs/dbraw/zinc/39/92/24/336399224.db2.gz JIWAZJABEQQBKK-LJQANCHMSA-N 1 0 318.420 4.027 20 30 DIEDRO C=CC1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000353583434 336426809 /nfs/dbraw/zinc/42/68/09/336426809.db2.gz BGBYHWBZZZYYKL-UHFFFAOYSA-N 1 0 313.420 4.026 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(OC)cc1 ZINC000353621650 336429442 /nfs/dbraw/zinc/42/94/42/336429442.db2.gz LABOIEHVEBTATK-IBGZPJMESA-N 1 0 324.424 4.206 20 30 DIEDRO Cc1cccc2ncc(C[NH2+][C@H](CCCC#N)c3ccccc3)n21 ZINC000353904404 336447166 /nfs/dbraw/zinc/44/71/66/336447166.db2.gz YASXLSCASKMFIC-LJQANCHMSA-N 1 0 318.424 4.168 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018697 336454440 /nfs/dbraw/zinc/45/44/40/336454440.db2.gz RORATRYAPWQCMU-IAQYHMDHSA-N 1 0 302.245 4.361 20 30 DIEDRO C=CCSCC[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000358028808 336607382 /nfs/dbraw/zinc/60/73/82/336607382.db2.gz URLZZYJTEQIUDO-CYBMUJFWSA-N 1 0 301.402 4.248 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000358361237 336626389 /nfs/dbraw/zinc/62/63/89/336626389.db2.gz DEHSHIZUUBQCQE-INIZCTEOSA-N 1 0 309.837 4.044 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000358378103 336627188 /nfs/dbraw/zinc/62/71/88/336627188.db2.gz UTZXVYYWAQULMA-LBPRGKRZSA-N 1 0 322.499 4.423 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000193324518 336695291 /nfs/dbraw/zinc/69/52/91/336695291.db2.gz UESPXURJLCPRQU-CJNGLKHVSA-N 1 0 322.374 4.409 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](CCO)c1ccccc1 ZINC000360644483 336717048 /nfs/dbraw/zinc/71/70/48/336717048.db2.gz ALMHUJDSHASUPO-NHCUHLMSSA-N 1 0 320.436 4.039 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC[C@H]1CCCCO1 ZINC000360881650 336725412 /nfs/dbraw/zinc/72/54/12/336725412.db2.gz CEMNZMTVHSJWHF-QUCCMNQESA-N 1 0 312.457 4.265 20 30 DIEDRO CSCCCCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360883209 336725558 /nfs/dbraw/zinc/72/55/58/336725558.db2.gz JIMPZMYXHKMUFS-GOSISDBHSA-N 1 0 302.487 4.449 20 30 DIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000367624735 336826917 /nfs/dbraw/zinc/82/69/17/336826917.db2.gz WWLNBURPWJTSBD-GBESFXJTSA-N 1 0 314.473 4.257 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367828286 336830313 /nfs/dbraw/zinc/83/03/13/336830313.db2.gz SXUSBCNAWVTTGP-XFQAVAEZSA-N 1 0 320.436 4.443 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC000370051735 336876612 /nfs/dbraw/zinc/87/66/12/336876612.db2.gz XGPRVQYHMQYHSU-LSBZLQRGSA-N 1 0 324.399 4.152 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnc(C2CCC2)s1 ZINC000418149441 336898106 /nfs/dbraw/zinc/89/81/06/336898106.db2.gz UXPCRXNZWPABKV-GOSISDBHSA-N 1 0 323.465 4.449 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)CC2 ZINC000582389754 336953458 /nfs/dbraw/zinc/95/34/58/336953458.db2.gz BAGOPIJFMHJYNR-HKBOAZHASA-N 1 0 318.420 4.055 20 30 DIEDRO Cc1cc(C)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000374291449 336986132 /nfs/dbraw/zinc/98/61/32/336986132.db2.gz KDJYRCVURKMZNX-UHFFFAOYSA-N 1 0 319.452 4.064 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000375404373 337010533 /nfs/dbraw/zinc/01/05/33/337010533.db2.gz MCYMVKOIEPYDTN-RTBURBONSA-N 1 0 309.457 4.478 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000375404364 337010581 /nfs/dbraw/zinc/01/05/81/337010581.db2.gz MCYMVKOIEPYDTN-MOPGFXCFSA-N 1 0 309.457 4.478 20 30 DIEDRO Cc1cccc([C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376734971 337040137 /nfs/dbraw/zinc/04/01/37/337040137.db2.gz CZSNKWOJUHQZCR-KRWDZBQOSA-N 1 0 305.425 4.008 20 30 DIEDRO C/C(=C\c1ccccc1)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376737632 337040297 /nfs/dbraw/zinc/04/02/97/337040297.db2.gz BCVQZEBMUQWQSD-OBGWFSINSA-N 1 0 317.436 4.042 20 30 DIEDRO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCCCC#N)cc1F ZINC000378169665 337067601 /nfs/dbraw/zinc/06/76/01/337067601.db2.gz PTSSBOZIVACLHZ-WBVHZDCISA-N 1 0 304.409 4.144 20 30 DIEDRO C[C@H]([NH2+]CCSc1ccccc1)c1ccc(OCC#N)cc1 ZINC000193658039 337078833 /nfs/dbraw/zinc/07/88/33/337078833.db2.gz XZGHCJALHRQDIM-HNNXBMFYSA-N 1 0 312.438 4.032 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173398240 337135650 /nfs/dbraw/zinc/13/56/50/337135650.db2.gz UFIJWYITYODCBR-ZDUSSCGKSA-N 1 0 312.379 4.006 20 30 DIEDRO Cc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508076 337142253 /nfs/dbraw/zinc/14/22/53/337142253.db2.gz VBCXGJHNDIZATP-HUUCEWRRSA-N 1 0 312.388 4.124 20 30 DIEDRO C=CCCCC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000175388166 337145613 /nfs/dbraw/zinc/14/56/13/337145613.db2.gz KJMSTCITYHUENZ-UHFFFAOYSA-N 1 0 309.413 4.181 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(-c2cccnc2)cc1 ZINC000176748085 337151942 /nfs/dbraw/zinc/15/19/42/337151942.db2.gz CHTNROZJJJQZMY-AWEZNQCLSA-N 1 0 303.365 4.064 20 30 DIEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000177089223 337154126 /nfs/dbraw/zinc/15/41/26/337154126.db2.gz IAQUEBJIQGZZDZ-HNNXBMFYSA-N 1 0 316.857 4.028 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccsc1 ZINC000177823064 337157594 /nfs/dbraw/zinc/15/75/94/337157594.db2.gz CDVDDNJPTPZMBL-CYBMUJFWSA-N 1 0 302.468 4.204 20 30 DIEDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCO2 ZINC000178177034 337161158 /nfs/dbraw/zinc/16/11/58/337161158.db2.gz QKQCPPVUTUGFCV-AUUYWEPGSA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1ccc(-c2ccncc2)cc1 ZINC000180931656 337178720 /nfs/dbraw/zinc/17/87/20/337178720.db2.gz KCIMKRZRJSOVJG-HNNXBMFYSA-N 1 0 311.454 4.046 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000181534273 337182835 /nfs/dbraw/zinc/18/28/35/337182835.db2.gz PTVSVEWTTPTYMU-UHFFFAOYSA-N 1 0 318.436 4.137 20 30 DIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC(C)(C)C#N)cc1 ZINC000183675012 337194183 /nfs/dbraw/zinc/19/41/83/337194183.db2.gz QTRMCGSZFZAHCO-OAHLLOKOSA-N 1 0 310.445 4.161 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(CC#N)cc2)C1 ZINC000185148035 337202326 /nfs/dbraw/zinc/20/23/26/337202326.db2.gz NFTPRZVHXZUZEV-JXFKEZNVSA-N 1 0 305.425 4.000 20 30 DIEDRO C=CCCCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000583010171 337228593 /nfs/dbraw/zinc/22/85/93/337228593.db2.gz OJSHRCPLHDQELG-CQSZACIVSA-N 1 0 305.384 4.024 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)[C@H]1COc2ccccc21 ZINC000185644509 337249720 /nfs/dbraw/zinc/24/97/20/337249720.db2.gz TUKLZRLMSPQDGG-CRAIPNDOSA-N 1 0 320.436 4.142 20 30 DIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000186947892 337260607 /nfs/dbraw/zinc/26/06/07/337260607.db2.gz UWUHXYCAJUSUBN-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(OCCCC#N)c1 ZINC000321436789 337265026 /nfs/dbraw/zinc/26/50/26/337265026.db2.gz QJINNMNZJSVUIX-DLBZAZTESA-N 1 0 315.461 4.092 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191186788 337292867 /nfs/dbraw/zinc/29/28/67/337292867.db2.gz PIGTWBGAUGJUQU-GOSISDBHSA-N 1 0 315.848 4.427 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000583266771 337296436 /nfs/dbraw/zinc/29/64/36/337296436.db2.gz WDUPZEFRSVHFLF-LJQANCHMSA-N 1 0 321.380 4.097 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+](C)C(C)C ZINC000191514641 337298712 /nfs/dbraw/zinc/29/87/12/337298712.db2.gz PLIRYQKZBVIMSM-UHFFFAOYSA-N 1 0 317.477 4.000 20 30 DIEDRO C=CCC1(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)CCC1 ZINC000191928938 337301247 /nfs/dbraw/zinc/30/12/47/337301247.db2.gz VKWLTQXAIDLYKX-UHFFFAOYSA-N 1 0 312.457 4.276 20 30 DIEDRO C[C@@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)c1cccc(C#N)c1 ZINC000525952172 337307613 /nfs/dbraw/zinc/30/76/13/337307613.db2.gz IYSJZYZBFFPHBN-MRXNPFEDSA-N 1 0 319.452 4.368 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(c3ccc(F)cc3F)CCC1)CC2 ZINC000583782535 337332638 /nfs/dbraw/zinc/33/26/38/337332638.db2.gz OWLGEFBXQWTWAP-IBGZPJMESA-N 1 0 324.374 4.493 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000583822223 337336755 /nfs/dbraw/zinc/33/67/55/337336755.db2.gz GALAEHOIWPDXOP-AWEZNQCLSA-N 1 0 304.434 4.051 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000584558967 337361166 /nfs/dbraw/zinc/36/11/66/337361166.db2.gz UVPYZYOIJAQBGT-LPHOPBHVSA-N 1 0 324.399 4.132 20 30 DIEDRO C=CCCCCC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000445297403 337389330 /nfs/dbraw/zinc/38/93/30/337389330.db2.gz VULRWLRWEGXFDL-UHFFFAOYSA-N 1 0 306.416 4.081 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903466 337396135 /nfs/dbraw/zinc/39/61/35/337396135.db2.gz CZFUPAPNCBDTNI-RDJZCZTQSA-N 1 0 324.428 4.009 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CC[C@H](F)C3)c2)c1 ZINC000564115730 337456387 /nfs/dbraw/zinc/45/63/87/337456387.db2.gz OIFVEEGPAFNSEJ-RBUKOAKNSA-N 1 0 324.399 4.117 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000237384355 337468729 /nfs/dbraw/zinc/46/87/29/337468729.db2.gz DWWZVUKUEUCHGS-JTDSTZFVSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000245948570 337499577 /nfs/dbraw/zinc/49/95/77/337499577.db2.gz WDAZUMWUAROFIM-CWFSZBLJSA-N 1 0 306.409 4.129 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(C(F)(F)F)cc1 ZINC000420913859 337513426 /nfs/dbraw/zinc/51/34/26/337513426.db2.gz BJLAUWCRWIFGSP-UHOFOFEASA-N 1 0 313.363 4.073 20 30 DIEDRO CCCOc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421342142 337527520 /nfs/dbraw/zinc/52/75/20/337527520.db2.gz MSNPTPNSCORZEI-UHFFFAOYSA-N 1 0 312.388 4.084 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000248887851 337568293 /nfs/dbraw/zinc/56/82/93/337568293.db2.gz SIEZRGWLGJIYRT-RZQQEMMASA-N 1 0 305.425 4.482 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000572103886 337590874 /nfs/dbraw/zinc/59/08/74/337590874.db2.gz FIQBGARJKYHTKD-IBGZPJMESA-N 1 0 312.388 4.207 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000266600440 337634050 /nfs/dbraw/zinc/63/40/50/337634050.db2.gz OCOHYHLKEMDQLX-INIZCTEOSA-N 1 0 306.409 4.003 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271431634 337644260 /nfs/dbraw/zinc/64/42/60/337644260.db2.gz DFQYMKIWKXQNHI-MAUKXSAKSA-N 1 0 309.409 4.119 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000271416489 337644314 /nfs/dbraw/zinc/64/43/14/337644314.db2.gz BIJXJCKLGFSKFE-APWZRJJASA-N 1 0 321.420 4.263 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000271453130 337644465 /nfs/dbraw/zinc/64/44/65/337644465.db2.gz GKEHJCOMHOHMLB-APWZRJJASA-N 1 0 323.436 4.427 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000271500956 337644739 /nfs/dbraw/zinc/64/47/39/337644739.db2.gz MBJSWCFUQLBORY-MAUKXSAKSA-N 1 0 308.381 4.318 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1Cl ZINC000421848345 337654691 /nfs/dbraw/zinc/65/46/91/337654691.db2.gz AIAXMKMWDCXGSN-KZULUSFZSA-N 1 0 311.816 4.335 20 30 DIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)s2)ccc1SC ZINC000421881151 337658594 /nfs/dbraw/zinc/65/85/94/337658594.db2.gz OVARZACHKPOTLX-NSHDSACASA-N 1 0 318.467 4.201 20 30 DIEDRO C=CC[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275583381 337662568 /nfs/dbraw/zinc/66/25/68/337662568.db2.gz DVAMBVRKUMHPJW-LJQANCHMSA-N 1 0 322.452 4.089 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)c1ccco1 ZINC000276500330 337664866 /nfs/dbraw/zinc/66/48/66/337664866.db2.gz WWRGMVWYCFOZIL-GOSISDBHSA-N 1 0 312.413 4.078 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276787942 337665625 /nfs/dbraw/zinc/66/56/25/337665625.db2.gz RZWAXDWAMKNMHW-ZIAGYGMSSA-N 1 0 315.417 4.141 20 30 DIEDRO C[C@@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423028889 337696190 /nfs/dbraw/zinc/69/61/90/337696190.db2.gz HFUUFXLHRYXOHW-MRUHUIDDSA-N 1 0 319.452 4.016 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000536838721 337736116 /nfs/dbraw/zinc/73/61/16/337736116.db2.gz KXAVGEKKNFSQPY-HNNXBMFYSA-N 1 0 300.229 4.163 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527701863 337757538 /nfs/dbraw/zinc/75/75/38/337757538.db2.gz BCCLSUONQOJOMQ-UHFFFAOYSA-N 1 0 302.365 4.186 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000424138925 337759324 /nfs/dbraw/zinc/75/93/24/337759324.db2.gz NGBCRUXLSKVTBL-HNHYXYPQSA-N 1 0 312.240 4.161 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000527909014 337770527 /nfs/dbraw/zinc/77/05/27/337770527.db2.gz HUZYHBVVFDKIPW-SFHVURJKSA-N 1 0 314.791 4.322 20 30 DIEDRO C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1cccc(C#N)c1 ZINC000527941259 337773438 /nfs/dbraw/zinc/77/34/38/337773438.db2.gz FBAJTJMHUHTMNO-YWCBWXAZSA-N 1 0 308.812 4.201 20 30 DIEDRO C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cccc(C#N)c1 ZINC000527941254 337773451 /nfs/dbraw/zinc/77/34/51/337773451.db2.gz FBAJTJMHUHTMNO-NDYZWRROSA-N 1 0 308.812 4.201 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000424290304 337815735 /nfs/dbraw/zinc/81/57/35/337815735.db2.gz BKDFQCALSMPAHO-ATLSCFEFSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000424293782 337816624 /nfs/dbraw/zinc/81/66/24/337816624.db2.gz JHJVNPSGEJJRTK-IKICRFKJSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCCCC)cc1 ZINC000424294235 337816678 /nfs/dbraw/zinc/81/66/78/337816678.db2.gz KASNYLPSDCMUER-AYBZRNKSSA-N 1 0 303.446 4.107 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(SCC(F)F)cc1 ZINC000424321645 337820507 /nfs/dbraw/zinc/82/05/07/337820507.db2.gz HKNRVYOAPVMDGK-SGMGOOAPSA-N 1 0 310.413 4.387 20 30 DIEDRO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccc(Br)c21 ZINC000424326008 337821237 /nfs/dbraw/zinc/82/12/37/337821237.db2.gz LPUFPHZCYKOXKJ-OHTBPHCPSA-N 1 0 319.246 4.279 20 30 DIEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424335571 337822635 /nfs/dbraw/zinc/82/26/35/337822635.db2.gz XAKRQYPXKHVNGW-DSKINZAPSA-N 1 0 320.436 4.261 20 30 DIEDRO C=CCC[C@H](NC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424437836 337833210 /nfs/dbraw/zinc/83/32/10/337833210.db2.gz OWMPLMUDPFZIJI-IBGZPJMESA-N 1 0 323.440 4.283 20 30 DIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000537304386 337929942 /nfs/dbraw/zinc/92/99/42/337929942.db2.gz QDXIEBIIYDRBGX-HZPDHXFCSA-N 1 0 308.425 4.096 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(C#N)c(F)c1 ZINC000537405527 337933498 /nfs/dbraw/zinc/93/34/98/337933498.db2.gz NAGUSZFMIFSSBZ-LLVKDONJSA-N 1 0 320.770 4.383 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000537406883 337933650 /nfs/dbraw/zinc/93/36/50/337933650.db2.gz KFOIPUCJPZBCJE-CYBMUJFWSA-N 1 0 314.379 4.465 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000537869395 337963938 /nfs/dbraw/zinc/96/39/38/337963938.db2.gz PLOJPYXXZOLIMH-PZJWPPBQSA-N 1 0 323.436 4.119 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000426312684 338026271 /nfs/dbraw/zinc/02/62/71/338026271.db2.gz QXEYPOSIXWRWHL-HKUYNNGSSA-N 1 0 323.415 4.017 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000426423149 338031889 /nfs/dbraw/zinc/03/18/89/338031889.db2.gz XOERKVIDSNUGKC-QGZVFWFLSA-N 1 0 318.342 4.222 20 30 DIEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)Cc1ccsc1 ZINC000426459516 338032871 /nfs/dbraw/zinc/03/28/71/338032871.db2.gz KTTSKCYGAJMHQY-OAHLLOKOSA-N 1 0 301.430 4.192 20 30 DIEDRO COc1ccc(C[N@H+](C)C2(C)CCCC2)cc1OCCCC#N ZINC000426511162 338033845 /nfs/dbraw/zinc/03/38/45/338033845.db2.gz YLHMNTJYCYVCJZ-UHFFFAOYSA-N 1 0 316.445 4.142 20 30 DIEDRO Cc1cc([C@@H](NCc2cccc(F)c2C#N)C2CC2)ccc1F ZINC000428355416 338048507 /nfs/dbraw/zinc/04/85/07/338048507.db2.gz PHCYCMAJCMQLKP-IBGZPJMESA-N 1 0 312.363 4.386 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccnc(OC2CCC2)c1)c1ccco1 ZINC000428466791 338053828 /nfs/dbraw/zinc/05/38/28/338053828.db2.gz WFVYUTNWEFJIKB-KRWDZBQOSA-N 1 0 312.413 4.403 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000429454998 338081682 /nfs/dbraw/zinc/08/16/82/338081682.db2.gz QTNRVERXIWXHLU-QZTJIDSGSA-N 1 0 313.445 4.386 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000429455001 338081696 /nfs/dbraw/zinc/08/16/96/338081696.db2.gz QTNRVERXIWXHLU-ZWKOTPCHSA-N 1 0 313.445 4.386 20 30 DIEDRO CC[C@H]1CC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000430196490 338100757 /nfs/dbraw/zinc/10/07/57/338100757.db2.gz RMEBODOECNIWJU-IBGZPJMESA-N 1 0 306.409 4.122 20 30 DIEDRO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC1(CC#N)CC1)CCCO2 ZINC000430739398 338112952 /nfs/dbraw/zinc/11/29/52/338112952.db2.gz DCTIRCAAZADMFN-HNNXBMFYSA-N 1 0 304.821 4.146 20 30 DIEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1Br ZINC000430758380 338113968 /nfs/dbraw/zinc/11/39/68/338113968.db2.gz CLQGWKSHOOMVHA-AWEZNQCLSA-N 1 0 307.235 4.184 20 30 DIEDRO Cc1cc(Br)cc2c1[C@H]([NH2+]CC1(CC#N)CC1)CC2 ZINC000430760877 338114174 /nfs/dbraw/zinc/11/41/74/338114174.db2.gz KHMWTLRTKWQVIR-CQSZACIVSA-N 1 0 319.246 4.028 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430881789 338117952 /nfs/dbraw/zinc/11/79/52/338117952.db2.gz FKOPLXIXTSCZHF-LSDHHAIUSA-N 1 0 308.347 4.235 20 30 DIEDRO N#CCSCCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432019883 338143771 /nfs/dbraw/zinc/14/37/71/338143771.db2.gz NJGGHMYMKFANBU-MRXNPFEDSA-N 1 0 310.413 4.139 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000433014931 338176335 /nfs/dbraw/zinc/17/63/35/338176335.db2.gz UQPKXNDUSLTKTR-IBGZPJMESA-N 1 0 307.372 4.222 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccccc1 ZINC000433014632 338176345 /nfs/dbraw/zinc/17/63/45/338176345.db2.gz GCPLRSSOUQBCDA-LJQANCHMSA-N 1 0 312.388 4.229 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000433013897 338176363 /nfs/dbraw/zinc/17/63/63/338176363.db2.gz PWUQVWWQXOHFQV-IBGZPJMESA-N 1 0 307.372 4.222 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000433020128 338176650 /nfs/dbraw/zinc/17/66/50/338176650.db2.gz QYRVTQRQMDKIIE-QGZVFWFLSA-N 1 0 309.369 4.120 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1nc2cccnc2s1)c1ccccc1 ZINC000433022659 338176691 /nfs/dbraw/zinc/17/66/91/338176691.db2.gz LIQAXKLPLHQDSQ-OAHLLOKOSA-N 1 0 322.437 4.216 20 30 DIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1 ZINC000433025789 338177090 /nfs/dbraw/zinc/17/70/90/338177090.db2.gz MQHWKXHLMXXMOK-RTWAWAEBSA-N 1 0 322.452 4.005 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCN1CCc2ccccc21)c1ccccc1 ZINC000433027628 338177166 /nfs/dbraw/zinc/17/71/66/338177166.db2.gz LYJQBFJEJXSCFP-HXUWFJFHSA-N 1 0 319.452 4.074 20 30 DIEDRO CC(=O)Nc1cccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433042108 338177912 /nfs/dbraw/zinc/17/79/12/338177912.db2.gz WXLOSKBUCGKUFI-HXUWFJFHSA-N 1 0 321.424 4.170 20 30 DIEDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000433052426 338178845 /nfs/dbraw/zinc/17/88/45/338178845.db2.gz MGTQRYIIFRIJGD-APWZRJJASA-N 1 0 322.456 4.084 20 30 DIEDRO CSC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC1 ZINC000433099182 338181813 /nfs/dbraw/zinc/18/18/13/338181813.db2.gz HNBGWWCDLVCHRC-UHFFFAOYSA-N 1 0 314.498 4.266 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1F ZINC000433296788 338189897 /nfs/dbraw/zinc/18/98/97/338189897.db2.gz JJCXSVJMAXDWKQ-MRXNPFEDSA-N 1 0 314.791 4.340 20 30 DIEDRO C[N@H+](CC/C=C\c1ccc(Br)cc1)CC(C)(C)C#N ZINC000433325684 338191993 /nfs/dbraw/zinc/19/19/93/338191993.db2.gz KFKGADVXGXPSQB-XQRVVYSFSA-N 1 0 321.262 4.334 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434680409 338223221 /nfs/dbraw/zinc/22/32/21/338223221.db2.gz VBEBMAYSQKANAE-OAHLLOKOSA-N 1 0 303.421 4.465 20 30 DIEDRO N#CCSCCC[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000434907997 338227912 /nfs/dbraw/zinc/22/79/12/338227912.db2.gz VPRMWFDKAPOOAO-UHFFFAOYSA-N 1 0 324.440 4.356 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000435737303 338247031 /nfs/dbraw/zinc/24/70/31/338247031.db2.gz GVZHTMDGQFBCMO-DOMZBBRYSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000435738268 338247124 /nfs/dbraw/zinc/24/71/24/338247124.db2.gz QERHRTBCLFLLMY-MLGOLLRUSA-N 1 0 305.805 4.157 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436244875 338263295 /nfs/dbraw/zinc/26/32/95/338263295.db2.gz SEMVMRSOTRNUJN-FPOVZHCZSA-N 1 0 312.501 4.028 20 30 DIEDRO C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000436283221 338265742 /nfs/dbraw/zinc/26/57/42/338265742.db2.gz LEFRERIHFLYPOS-OXJNMPFZSA-N 1 0 311.473 4.006 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000436285706 338266024 /nfs/dbraw/zinc/26/60/24/338266024.db2.gz PMRXKYUIFXPCNI-KMCQBPLKSA-N 1 0 307.865 4.403 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000436285707 338266095 /nfs/dbraw/zinc/26/60/95/338266095.db2.gz PMRXKYUIFXPCNI-MMNPAVHPSA-N 1 0 307.865 4.403 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000436289720 338266484 /nfs/dbraw/zinc/26/64/84/338266484.db2.gz HCNHQCFHAJDEOX-KYJSFNMBSA-N 1 0 305.487 4.430 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(C#N)c(F)c1 ZINC000436292130 338266567 /nfs/dbraw/zinc/26/65/67/338266567.db2.gz BCPJNAUBZJLOJM-XHBKTUGNSA-N 1 0 312.363 4.433 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1OCC ZINC000436291814 338266586 /nfs/dbraw/zinc/26/65/86/338266586.db2.gz QXUBAKMVPHZDNI-DEYYWGMASA-N 1 0 323.864 4.371 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cc(Cl)ccc1OC ZINC000436294787 338266968 /nfs/dbraw/zinc/26/69/68/338266968.db2.gz HDMFMKBWXHKGMU-OWQGQXMQSA-N 1 0 323.864 4.371 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000436302320 338267644 /nfs/dbraw/zinc/26/76/44/338267644.db2.gz SWFNCEQRMMDROR-HQRMLTQVSA-N 1 0 317.473 4.353 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000436302707 338267674 /nfs/dbraw/zinc/26/76/74/338267674.db2.gz BAUOBJLVZXBHIX-OWQGQXMQSA-N 1 0 321.848 4.125 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000436305976 338268058 /nfs/dbraw/zinc/26/80/58/338268058.db2.gz INOAVGCQSLGRCP-YSHGAJCASA-N 1 0 303.421 4.033 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000436307764 338268134 /nfs/dbraw/zinc/26/81/34/338268134.db2.gz LDUOJGNVJZDEIV-BPLDGKMQSA-N 1 0 312.363 4.433 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000436307765 338268211 /nfs/dbraw/zinc/26/82/11/338268211.db2.gz LDUOJGNVJZDEIV-QEJZJMRPSA-N 1 0 312.363 4.433 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000436311874 338268548 /nfs/dbraw/zinc/26/85/48/338268548.db2.gz YEKYLJFHSRILRX-OLMNPRSZSA-N 1 0 309.400 4.233 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000436312824 338268597 /nfs/dbraw/zinc/26/85/97/338268597.db2.gz VDAYGRFWEZIKRS-SUMDDJOVSA-N 1 0 313.441 4.004 20 30 DIEDRO C=CCN(CCc1ccccc1)C(=O)Nc1c(C)cc(C)nc1C ZINC000436494278 338274186 /nfs/dbraw/zinc/27/41/86/338274186.db2.gz NFGBBJJVUCOISE-UHFFFAOYSA-N 1 0 323.440 4.269 20 30 DIEDRO CSCc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000437094288 338300563 /nfs/dbraw/zinc/30/05/63/338300563.db2.gz IGTMGAWHLNZDHJ-CYBMUJFWSA-N 1 0 314.429 4.411 20 30 DIEDRO CC(C)N(C)c1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000437101272 338301025 /nfs/dbraw/zinc/30/10/25/338301025.db2.gz YUHKHCSCJXAQED-MRXNPFEDSA-N 1 0 307.441 4.254 20 30 DIEDRO CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000437101996 338301031 /nfs/dbraw/zinc/30/10/31/338301031.db2.gz FJDCVCUSLOGDFO-INIZCTEOSA-N 1 0 307.441 4.254 20 30 DIEDRO CC[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437435033 338310059 /nfs/dbraw/zinc/31/00/59/338310059.db2.gz OGZOLMNYABKGFZ-UHFFFAOYSA-N 1 0 322.380 4.243 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000437511763 338312211 /nfs/dbraw/zinc/31/22/11/338312211.db2.gz CYBPEDBRPWXTCU-CQSZACIVSA-N 1 0 318.486 4.024 20 30 DIEDRO C[N@H+](CCCCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000437576338 338314059 /nfs/dbraw/zinc/31/40/59/338314059.db2.gz HVXUKOPSFVVVNL-UHFFFAOYSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000437790164 338321697 /nfs/dbraw/zinc/32/16/97/338321697.db2.gz XGIHPEQOVSRYKY-DLBZAZTESA-N 1 0 320.436 4.302 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)C1CC1 ZINC000438988700 338357789 /nfs/dbraw/zinc/35/77/89/338357789.db2.gz XDHSTORTINGURA-OAHLLOKOSA-N 1 0 311.372 4.131 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)C1CC1 ZINC000439077786 338360353 /nfs/dbraw/zinc/36/03/53/338360353.db2.gz MDSJZXGOAJFXAZ-IBGZPJMESA-N 1 0 313.489 4.152 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)C1CC1 ZINC000439081635 338360430 /nfs/dbraw/zinc/36/04/30/338360430.db2.gz XCFQLXCMZVQNKQ-IAGOWNOFSA-N 1 0 304.503 4.219 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(OC)cc1 ZINC000439457440 338370077 /nfs/dbraw/zinc/37/00/77/338370077.db2.gz QQRPMLZACLUEHT-SFHVURJKSA-N 1 0 314.816 4.461 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCOCc1ccccc1 ZINC000439476555 338370908 /nfs/dbraw/zinc/37/09/08/338370908.db2.gz QYYWJZDOGUMECQ-QGZVFWFLSA-N 1 0 308.425 4.158 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc3ncsc3c2)ccc1C#N ZINC000440613344 338392411 /nfs/dbraw/zinc/39/24/11/338392411.db2.gz NVLMCTWOOAPPRY-GFCCVEGCSA-N 1 0 323.421 4.027 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000440626471 338393058 /nfs/dbraw/zinc/39/30/58/338393058.db2.gz RBTJBGCPKMDAOT-CQSZACIVSA-N 1 0 309.335 4.226 20 30 DIEDRO COc1cc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)ccc1C#N ZINC000440833539 338398392 /nfs/dbraw/zinc/39/83/92/338398392.db2.gz SSRJRODIQSZBNU-FQEVSTJZSA-N 1 0 324.399 4.337 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1Br ZINC000442101191 338421311 /nfs/dbraw/zinc/42/13/11/338421311.db2.gz SYDIEVNIAJIMKV-IYXRBSQSSA-N 1 0 321.262 4.430 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000442655671 338426878 /nfs/dbraw/zinc/42/68/78/338426878.db2.gz VKHOTVFUSAOJQW-YLJYHZDGSA-N 1 0 304.437 4.490 20 30 DIEDRO C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442722947 338429130 /nfs/dbraw/zinc/42/91/30/338429130.db2.gz WBVVTQGTRMSSBW-BFYDXBDKSA-N 1 0 300.446 4.033 20 30 DIEDRO CC[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(C#N)cc1 ZINC000442809172 338432921 /nfs/dbraw/zinc/43/29/21/338432921.db2.gz JOMAMRHERNBHLI-LJQANCHMSA-N 1 0 303.409 4.323 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442844181 338434323 /nfs/dbraw/zinc/43/43/23/338434323.db2.gz FORXYQNCUUGABY-QFBILLFUSA-N 1 0 301.393 4.007 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442855885 338435048 /nfs/dbraw/zinc/43/50/48/338435048.db2.gz KWBZCUBPQIXMOP-UIBBOPPKSA-N 1 0 308.347 4.233 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442855888 338435088 /nfs/dbraw/zinc/43/50/88/338435088.db2.gz KWBZCUBPQIXMOP-XABYNWHXSA-N 1 0 308.347 4.233 20 30 DIEDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1CCC(C#N)CC1)CCCO2 ZINC000442868204 338436441 /nfs/dbraw/zinc/43/64/41/338436441.db2.gz QAZHPSCCVNLZCR-TVPLGVNVSA-N 1 0 312.457 4.437 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000442872232 338436898 /nfs/dbraw/zinc/43/68/98/338436898.db2.gz IBZJGJKGYXUOGM-FUICEZJUSA-N 1 0 300.421 4.381 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000442873619 338436955 /nfs/dbraw/zinc/43/69/55/338436955.db2.gz RQZDTZSPKUFFKL-PMTKGXAQSA-N 1 0 324.468 4.309 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000442874397 338437186 /nfs/dbraw/zinc/43/71/86/338437186.db2.gz NABAXAWHABVDAP-KVULBXGLSA-N 1 0 318.848 4.473 20 30 DIEDRO CC[C@@H]([NH2+]CCCC#N)c1ccc(Br)cc1Cl ZINC000446884529 338539493 /nfs/dbraw/zinc/53/94/93/338539493.db2.gz PXPZMHOZQKFOLL-CYBMUJFWSA-N 1 0 315.642 4.447 20 30 DIEDRO CC[C@H]([NH2+]CCCOC1CCCCC1)c1ccc(C#N)cc1 ZINC000447511024 338553183 /nfs/dbraw/zinc/55/31/83/338553183.db2.gz RUIVDDGTYTXVHO-IBGZPJMESA-N 1 0 300.446 4.338 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1OC)c1ccc(C#N)cc1 ZINC000447525724 338553983 /nfs/dbraw/zinc/55/39/83/338553983.db2.gz BDYSLBIHMMJGFW-YJBOKZPZSA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000447537232 338555232 /nfs/dbraw/zinc/55/52/32/338555232.db2.gz UFCQKBGMYAGPPH-QZTJIDSGSA-N 1 0 310.445 4.101 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc(C#N)cc1 ZINC000447540991 338555600 /nfs/dbraw/zinc/55/56/00/338555600.db2.gz LCFMBTRDIIBEOJ-GOSISDBHSA-N 1 0 300.352 4.120 20 30 DIEDRO CCO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000447549537 338556222 /nfs/dbraw/zinc/55/62/22/338556222.db2.gz FGORLGDBLNJCBD-KUHUBIRLSA-N 1 0 312.388 4.126 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447564427 338557031 /nfs/dbraw/zinc/55/70/31/338557031.db2.gz WXLNWRVBFGWNRG-AUUYWEPGSA-N 1 0 312.388 4.206 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1F)c1ccc(C#N)cc1 ZINC000447564006 338557158 /nfs/dbraw/zinc/55/71/58/338557158.db2.gz UCGSUVQTHWRJHS-KDOFPFPSSA-N 1 0 312.388 4.206 20 30 DIEDRO CC[C@H]([NH2+]CCCc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447579177 338558530 /nfs/dbraw/zinc/55/85/30/338558530.db2.gz JLECOJVSDGJJAT-FQEVSTJZSA-N 1 0 308.425 4.240 20 30 DIEDRO CC[C@H]([NH2+]C1(c2ccc(OC)cc2)CC1)c1ccc(C#N)cc1 ZINC000447585799 338559406 /nfs/dbraw/zinc/55/94/06/338559406.db2.gz LOCMROWLTKLZQS-IBGZPJMESA-N 1 0 306.409 4.297 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000449066532 338590021 /nfs/dbraw/zinc/59/00/21/338590021.db2.gz CNZRIRWHWXRVCE-GNHJJJEISA-N 1 0 304.434 4.425 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 ZINC000449102619 338593725 /nfs/dbraw/zinc/59/37/25/338593725.db2.gz ZUOQTOIACMDRHM-YBXZHIRMSA-N 1 0 316.420 4.108 20 30 DIEDRO CCc1cccc2c(CC[NH2+]C3CCC(C)(C#N)CC3)c[nH]c21 ZINC000449151949 338597183 /nfs/dbraw/zinc/59/71/83/338597183.db2.gz ZEZZHXDNIYNUJI-UHFFFAOYSA-N 1 0 309.457 4.335 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000449207904 338602490 /nfs/dbraw/zinc/60/24/90/338602490.db2.gz ROIDCYSURDTGBS-UMQBVGHOSA-N 1 0 318.848 4.232 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000449221232 338603586 /nfs/dbraw/zinc/60/35/86/338603586.db2.gz GDKVJZBCAHVXIR-UHFFFAOYSA-N 1 0 320.358 4.119 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000449224103 338604021 /nfs/dbraw/zinc/60/40/21/338604021.db2.gz ZSXIRLAVYWMDDH-NVXWUHKLSA-N 1 0 300.450 4.151 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449254486 338607239 /nfs/dbraw/zinc/60/72/39/338607239.db2.gz YDNYRDBEAGRLBI-UQHVZDHRSA-N 1 0 302.466 4.070 20 30 DIEDRO C[C@H](Cc1coc2ccccc12)[NH2+]CCc1cccc(C#N)c1 ZINC000449304920 338611203 /nfs/dbraw/zinc/61/12/03/338611203.db2.gz QFSLLCVHFBVFEV-OAHLLOKOSA-N 1 0 304.393 4.068 20 30 DIEDRO COc1cc(C[NH2+]CC2CCC(C#N)CC2)cc2ccccc21 ZINC000449304038 338611229 /nfs/dbraw/zinc/61/12/29/338611229.db2.gz NZHAAFZFACGKKA-UHFFFAOYSA-N 1 0 308.425 4.268 20 30 DIEDRO CC1(F)CC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000449369060 338618321 /nfs/dbraw/zinc/61/83/21/338618321.db2.gz AGAIJDYSKLRSQA-UHFFFAOYSA-N 1 0 324.399 4.117 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c1 ZINC000449426349 338623375 /nfs/dbraw/zinc/62/33/75/338623375.db2.gz OTZQQYJYEMGMQQ-DNVCBOLYSA-N 1 0 309.409 4.253 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449444789 338624567 /nfs/dbraw/zinc/62/45/67/338624567.db2.gz DKIDAUODNSLNKY-STQMWFEESA-N 1 0 315.417 4.121 20 30 DIEDRO C=C(C)CC[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000449476407 338628606 /nfs/dbraw/zinc/62/86/06/338628606.db2.gz MUVPIDZEBFNDQC-UHFFFAOYSA-N 1 0 302.443 4.086 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(OC3CCCC3)CC2)cc1F ZINC000449735881 338649041 /nfs/dbraw/zinc/64/90/41/338649041.db2.gz KFBMQIPNIBOPFT-UHFFFAOYSA-N 1 0 316.420 4.057 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449736198 338649315 /nfs/dbraw/zinc/64/93/15/338649315.db2.gz LQOMSASETCCRDN-OQLLNIDSSA-N 1 0 324.399 4.037 20 30 DIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450730163 338702210 /nfs/dbraw/zinc/70/22/10/338702210.db2.gz VPKBSIJHKOJFDG-STQMWFEESA-N 1 0 310.363 4.481 20 30 DIEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000451060844 338719978 /nfs/dbraw/zinc/71/99/78/338719978.db2.gz GYXWGAHNOCWACW-QMMLZNLJSA-N 1 0 322.452 4.176 20 30 DIEDRO CCc1cc(CCC[NH2+][C@@H](CCCC#N)c2ccccc2)on1 ZINC000451065772 338720340 /nfs/dbraw/zinc/72/03/40/338720340.db2.gz SGDALPVWXUABNK-IBGZPJMESA-N 1 0 311.429 4.194 20 30 DIEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(CCCC(C)(C)C#N)CC1 ZINC000451907564 338747918 /nfs/dbraw/zinc/74/79/18/338747918.db2.gz XGVHCBZLZLBBFS-UHFFFAOYSA-N 1 0 307.526 4.149 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451945801 338748589 /nfs/dbraw/zinc/74/85/89/338748589.db2.gz WITZRMMCOVQYKD-UHFFFAOYSA-N 1 0 314.473 4.088 20 30 DIEDRO CC1(C#N)CCC([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000453176359 338803066 /nfs/dbraw/zinc/80/30/66/338803066.db2.gz DVVFXECRKLQVQQ-UHFFFAOYSA-N 1 0 304.384 4.406 20 30 DIEDRO C=CCCCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453188875 338804820 /nfs/dbraw/zinc/80/48/20/338804820.db2.gz AHJLTUAEMHBHJF-MRXNPFEDSA-N 1 0 303.837 4.109 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000453191309 338805304 /nfs/dbraw/zinc/80/53/04/338805304.db2.gz FFSGOWOTFVXOCS-LHKUQTHOSA-N 1 0 320.864 4.478 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(-c2ccccc2)nn1C ZINC000453220406 338809700 /nfs/dbraw/zinc/80/97/00/338809700.db2.gz QVCBDXKQRMPJMN-KLAILNCOSA-N 1 0 322.456 4.068 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@H](C)c3ccsc32)ccc1C#N ZINC000453247839 338813946 /nfs/dbraw/zinc/81/39/46/338813946.db2.gz IDCKVCCYJIXORL-LRDDRELGSA-N 1 0 312.438 4.357 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccccc2O1 ZINC000453273349 338817166 /nfs/dbraw/zinc/81/71/66/338817166.db2.gz ULXYZYUJECAWED-UPRAQXHNSA-N 1 0 304.393 4.047 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH+]2CCC(Cc3cc(F)ccc3F)CC2)C1 ZINC000453351055 338829582 /nfs/dbraw/zinc/82/95/82/338829582.db2.gz IAHYMWHTGABVKG-QAPCUYQASA-N 1 0 318.411 4.302 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH+]2CCC(Cc3cccc(F)c3F)CC2)C1 ZINC000453371997 338833460 /nfs/dbraw/zinc/83/34/60/338833460.db2.gz RVWCWJBPEYXPJB-NVXWUHKLSA-N 1 0 318.411 4.302 20 30 DIEDRO CCC(C)(C)OCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000453403547 338838943 /nfs/dbraw/zinc/83/89/43/338838943.db2.gz GUEOUSHBPYFFBY-UHFFFAOYSA-N 1 0 314.473 4.185 20 30 DIEDRO C=CCCCCCNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000195448210 338900174 /nfs/dbraw/zinc/90/01/74/338900174.db2.gz UJRCDNUNQUCPAI-UHFFFAOYSA-N 1 0 316.489 4.049 20 30 DIEDRO N#CCCC[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459481971 339031957 /nfs/dbraw/zinc/03/19/57/339031957.db2.gz NNYXPXBCZBYXJP-RMKNXTFCSA-N 1 0 306.409 4.172 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459663979 339041534 /nfs/dbraw/zinc/04/15/34/339041534.db2.gz PEWLSMUNXQXQGQ-HNNXBMFYSA-N 1 0 319.411 4.414 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)c1nc2ccccc2s1 ZINC000459728852 339044642 /nfs/dbraw/zinc/04/46/42/339044642.db2.gz JHYCPUBJRSDTSC-CHWSQXEVSA-N 1 0 301.459 4.318 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H](C)c1nc2ccccc2s1 ZINC000459728854 339044680 /nfs/dbraw/zinc/04/46/80/339044680.db2.gz JHYCPUBJRSDTSC-QWHCGFSZSA-N 1 0 301.459 4.318 20 30 DIEDRO CC(C)(CC#N)C[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000459733569 339045040 /nfs/dbraw/zinc/04/50/40/339045040.db2.gz QHUPNBGZRQLMAU-UHFFFAOYSA-N 1 0 310.363 4.481 20 30 DIEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459737807 339045358 /nfs/dbraw/zinc/04/53/58/339045358.db2.gz WWVSRCICXLMHBY-OAHLLOKOSA-N 1 0 315.461 4.057 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000467415763 339051234 /nfs/dbraw/zinc/05/12/34/339051234.db2.gz COICRVCIRDMRCG-YOEHRIQHSA-N 1 0 322.880 4.021 20 30 DIEDRO CC[C@@H]1CCC[C@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000462365810 339076862 /nfs/dbraw/zinc/07/68/62/339076862.db2.gz NFRPEZGIEMMFGX-QAPCUYQASA-N 1 0 302.487 4.350 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1c(Cl)cccc1C#N)c1ccco1 ZINC000462376439 339077329 /nfs/dbraw/zinc/07/73/29/339077329.db2.gz JNVQFHTWWRFLPG-OAHLLOKOSA-N 1 0 317.820 4.300 20 30 DIEDRO Cc1ccc([C@H](CNc2c(Cl)cccc2C#N)[NH+](C)C)cc1 ZINC000462375274 339077396 /nfs/dbraw/zinc/07/73/96/339077396.db2.gz KSGFVXYNPUTSEZ-KRWDZBQOSA-N 1 0 313.832 4.235 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](C)Oc1ccc(C)cc1 ZINC000462732906 339085281 /nfs/dbraw/zinc/08/52/81/339085281.db2.gz ATOATDZJDGIPPH-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2C[C@H](OCC)C23CCCC3)c1 ZINC000462745667 339086482 /nfs/dbraw/zinc/08/64/82/339086482.db2.gz LLMYPWTYNMSMIS-OALUTQOASA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)Cc2cccs2)cc1 ZINC000462757451 339087153 /nfs/dbraw/zinc/08/71/53/339087153.db2.gz BEPYGBSJHFGGNP-OAHLLOKOSA-N 1 0 301.455 4.281 20 30 DIEDRO N#Cc1cccc(Cl)c1NCCCCC[NH+]1CCCCC1 ZINC000462838633 339093579 /nfs/dbraw/zinc/09/35/79/339093579.db2.gz LAWMRJWVFKMBHC-UHFFFAOYSA-N 1 0 305.853 4.280 20 30 DIEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000463238842 339111087 /nfs/dbraw/zinc/11/10/87/339111087.db2.gz TZYUTWUABYBTFS-IZBJGVDFSA-N 1 0 312.457 4.357 20 30 DIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463239621 339111274 /nfs/dbraw/zinc/11/12/74/339111274.db2.gz YGQLRRVNTDQMHW-RYRKJORJSA-N 1 0 300.446 4.454 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000463285349 339113431 /nfs/dbraw/zinc/11/34/31/339113431.db2.gz IVGKCLNNJMCMPG-DLBZAZTESA-N 1 0 312.457 4.179 20 30 DIEDRO COc1cccc(C2(C[NH2+][C@H]3CCC[C@@H](C#N)C3)CCCC2)c1 ZINC000463285655 339113440 /nfs/dbraw/zinc/11/34/40/339113440.db2.gz TVXVARBRGJLPRY-AEFFLSMTSA-N 1 0 312.457 4.179 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)C1 ZINC000463296946 339113989 /nfs/dbraw/zinc/11/39/89/339113989.db2.gz HRJRNSVFZRBHAK-MAUKXSAKSA-N 1 0 300.421 4.309 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)C1 ZINC000463296945 339114007 /nfs/dbraw/zinc/11/40/07/339114007.db2.gz HRJRNSVFZRBHAK-CRAIPNDOSA-N 1 0 300.421 4.309 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463451685 339118333 /nfs/dbraw/zinc/11/83/33/339118333.db2.gz XDIOLDHRBLWPKS-KGLIPLIRSA-N 1 0 314.326 4.250 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1Cl ZINC000463708875 339124019 /nfs/dbraw/zinc/12/40/19/339124019.db2.gz JMSSVYUVGHWFOM-SNVBAGLBSA-N 1 0 307.743 4.335 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464093545 339134224 /nfs/dbraw/zinc/13/42/24/339134224.db2.gz HILHRBAMYUGQFG-PMACEKPBSA-N 1 0 312.501 4.199 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1ccc(OC)c(C#N)c1 ZINC000464579297 339145958 /nfs/dbraw/zinc/14/59/58/339145958.db2.gz STSIXOSFWHCBGA-UHFFFAOYSA-N 1 0 314.454 4.083 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000464743603 339150748 /nfs/dbraw/zinc/15/07/48/339150748.db2.gz ZJPXLBULRZZGPX-YWZLYKJASA-N 1 0 324.399 4.159 20 30 DIEDRO COc1ccc(CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464816135 339155146 /nfs/dbraw/zinc/15/51/46/339155146.db2.gz SAILBDNKWRDXIP-SFTDATJTSA-N 1 0 320.436 4.009 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000466397441 339202468 /nfs/dbraw/zinc/20/24/68/339202468.db2.gz DOBZTOHPWIHIPC-LBPRGKRZSA-N 1 0 305.315 4.211 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000466423131 339204059 /nfs/dbraw/zinc/20/40/59/339204059.db2.gz BRZBQCNMNLUUBB-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000466424321 339204246 /nfs/dbraw/zinc/20/42/46/339204246.db2.gz HCXDKZHHLSAAEE-CTNGQTDRSA-N 1 0 304.437 4.102 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(Oc3ccccc3)o2)c1 ZINC000466426630 339204506 /nfs/dbraw/zinc/20/45/06/339204506.db2.gz VTNILKQRNLRLCK-UHFFFAOYSA-N 1 0 318.376 4.276 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1F ZINC000467191910 339227703 /nfs/dbraw/zinc/22/77/03/339227703.db2.gz RMZIJBZTJIMRMS-GDBMZVCRSA-N 1 0 316.420 4.230 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000467411044 339237144 /nfs/dbraw/zinc/23/71/44/339237144.db2.gz LYGOGGZDRVYJBY-IUODEOHRSA-N 1 0 318.852 4.234 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000467414413 339237309 /nfs/dbraw/zinc/23/73/09/339237309.db2.gz UMRZVAPOGDVNSP-GOEBONIOSA-N 1 0 322.880 4.021 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)C1CCC(C(F)(F)F)CC1 ZINC000467448978 339239329 /nfs/dbraw/zinc/23/93/29/339239329.db2.gz HISIWFILIVJKHQ-NVPAJSRCSA-N 1 0 324.390 4.448 20 30 DIEDRO CCC[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000467454381 339239628 /nfs/dbraw/zinc/23/96/28/339239628.db2.gz PFHHYYDFCBLECK-FQEVSTJZSA-N 1 0 308.425 4.240 20 30 DIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)cc1 ZINC000468267147 339258322 /nfs/dbraw/zinc/25/83/22/339258322.db2.gz YGUIIESPXGNTPJ-HXUWFJFHSA-N 1 0 324.399 4.433 20 30 DIEDRO N#Cc1cc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)ccc1F ZINC000468272711 339258455 /nfs/dbraw/zinc/25/84/55/339258455.db2.gz OHRZVDQGKKHOSI-SFHVURJKSA-N 1 0 312.363 4.044 20 30 DIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)c(C#N)c1 ZINC000468271586 339258480 /nfs/dbraw/zinc/25/84/80/339258480.db2.gz FOZLGBWCYVVIQU-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468282470 339258856 /nfs/dbraw/zinc/25/88/56/339258856.db2.gz QQLDGFWCRAGRQM-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468289145 339259057 /nfs/dbraw/zinc/25/90/57/339259057.db2.gz KUIKSPIORBCOPB-UHFFFAOYSA-N 1 0 321.399 4.227 20 30 DIEDRO N#Cc1ccc2ncc(C[NH2+]C3CCC4(CCCCC4)CC3)n2c1 ZINC000468969669 339276298 /nfs/dbraw/zinc/27/62/98/339276298.db2.gz MJRUSYBIRAOJNR-UHFFFAOYSA-N 1 0 322.456 4.189 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469780179 339299299 /nfs/dbraw/zinc/29/92/99/339299299.db2.gz NIIRGEYZOBLHSF-BBRMVZONSA-N 1 0 314.395 4.252 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469780186 339299417 /nfs/dbraw/zinc/29/94/17/339299417.db2.gz NIIRGEYZOBLHSF-XJKSGUPXSA-N 1 0 314.395 4.252 20 30 DIEDRO COC1CC([NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000470319156 339317142 /nfs/dbraw/zinc/31/71/42/339317142.db2.gz RRTJHKHOSSZNOE-WPUWVODUSA-N 1 0 306.409 4.053 20 30 DIEDRO C=CCOCCC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000470721140 339325994 /nfs/dbraw/zinc/32/59/94/339325994.db2.gz BGOHVEOHJMKLDZ-ZDUSSCGKSA-N 1 0 312.251 4.035 20 30 DIEDRO C=CCOCCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000470720933 339326044 /nfs/dbraw/zinc/32/60/44/339326044.db2.gz APFTVRODKZEJOC-INIZCTEOSA-N 1 0 324.262 4.179 20 30 DIEDRO C=CCOCCC[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000470727216 339326345 /nfs/dbraw/zinc/32/63/45/339326345.db2.gz RCGQAYYZORVKDE-ZDUSSCGKSA-N 1 0 301.352 4.291 20 30 DIEDRO C=CCOCCC[N@H+]1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000470790049 339328228 /nfs/dbraw/zinc/32/82/28/339328228.db2.gz PDXTVDLLLHUVMT-UHFFFAOYSA-N 1 0 310.441 4.158 20 30 DIEDRO CC1(c2ccc(Cl)cc2)CC[NH+](CCCSCC#N)CC1 ZINC000470870941 339329755 /nfs/dbraw/zinc/32/97/55/339329755.db2.gz HCZIZFTXYYYERX-UHFFFAOYSA-N 1 0 322.905 4.340 20 30 DIEDRO C=CCCCC[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000472059423 339361519 /nfs/dbraw/zinc/36/15/19/339361519.db2.gz VWFGSCMVBMIQKI-UHFFFAOYSA-N 1 0 311.351 4.038 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744734 339376761 /nfs/dbraw/zinc/37/67/61/339376761.db2.gz DBZLJBRCUWIMMR-SWLSCSKDSA-N 1 0 301.352 4.025 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474706504 339423109 /nfs/dbraw/zinc/42/31/09/339423109.db2.gz HBHRHXLSDZYHGJ-CVEARBPZSA-N 1 0 320.908 4.462 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474706507 339423150 /nfs/dbraw/zinc/42/31/50/339423150.db2.gz HBHRHXLSDZYHGJ-HZPDHXFCSA-N 1 0 320.908 4.462 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000474708964 339423290 /nfs/dbraw/zinc/42/32/90/339423290.db2.gz MOWJOUNAVCZBIN-HXUWFJFHSA-N 1 0 300.490 4.056 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c1F ZINC000475201059 339441482 /nfs/dbraw/zinc/44/14/82/339441482.db2.gz GJNPNTVOHWFAAM-LPHOPBHVSA-N 1 0 308.400 4.198 20 30 DIEDRO CC1(c2ccc(Cl)cc2)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000475302030 339445191 /nfs/dbraw/zinc/44/51/91/339445191.db2.gz XZHXPOKPWFUWCE-UHFFFAOYSA-N 1 0 314.816 4.358 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000475307672 339445430 /nfs/dbraw/zinc/44/54/30/339445430.db2.gz FPYAPKHIVNHVAD-ZOCZFRKYSA-N 1 0 320.436 4.443 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1cc2cccc(F)c2o1 ZINC000475702371 339459861 /nfs/dbraw/zinc/45/98/61/339459861.db2.gz NJJJHMKVIJJRTD-CYBMUJFWSA-N 1 0 324.355 4.173 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000478230097 339510878 /nfs/dbraw/zinc/51/08/78/339510878.db2.gz MLVAVPRUVFOLMS-FQEVSTJZSA-N 1 0 306.384 4.423 20 30 DIEDRO C[C@H](C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000479585998 339542429 /nfs/dbraw/zinc/54/24/29/339542429.db2.gz BHHQMAKPZOAYTJ-SSDOTTSWSA-N 1 0 303.221 4.133 20 30 DIEDRO C=CCCCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000479628624 339544339 /nfs/dbraw/zinc/54/43/39/339544339.db2.gz KJRXPAMMRYPXBC-UHFFFAOYSA-N 1 0 314.473 4.035 20 30 DIEDRO Cn1cc(C[NH2+]C(C)(C)c2ccc(C(C)(C)C)cc2)cc1C#N ZINC000480263040 339566022 /nfs/dbraw/zinc/56/60/22/339566022.db2.gz WNTNGHGDOUYXKM-UHFFFAOYSA-N 1 0 309.457 4.219 20 30 DIEDRO C=CC1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000480529282 339576026 /nfs/dbraw/zinc/57/60/26/339576026.db2.gz QQBRMQBFNNGSDV-UHFFFAOYSA-N 1 0 320.408 4.486 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccc(C#N)cc1F ZINC000480656762 339580231 /nfs/dbraw/zinc/58/02/31/339580231.db2.gz CLKKNTMVYDXVHM-WDEREUQCSA-N 1 0 302.315 4.469 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCc1csc(C)n1)c1ccc(F)c(F)c1 ZINC000481618652 339607750 /nfs/dbraw/zinc/60/77/50/339607750.db2.gz GCVCZMVQGJYQFE-INIZCTEOSA-N 1 0 308.397 4.179 20 30 DIEDRO COc1cc(C)cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481665208 339609136 /nfs/dbraw/zinc/60/91/36/339609136.db2.gz XRJGRPVYHZDJMK-NRFANRHFSA-N 1 0 320.436 4.433 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000482643990 339638790 /nfs/dbraw/zinc/63/87/90/339638790.db2.gz CCFKNIAGWQKJDQ-HXUWFJFHSA-N 1 0 318.480 4.023 20 30 DIEDRO COc1ccc2oc([C@@H](C)[NH2+]CC#Cc3ccccc3)c(C)c2c1 ZINC000483691945 339671715 /nfs/dbraw/zinc/67/17/15/339671715.db2.gz KSZMAEDVBTXXHZ-MRXNPFEDSA-N 1 0 319.404 4.452 20 30 DIEDRO CC(C)[C@](C)([NH2+]CCCC#N)c1ccc(Br)cc1 ZINC000484331732 339684920 /nfs/dbraw/zinc/68/49/20/339684920.db2.gz PNGQUSIMZMSOTP-HNNXBMFYSA-N 1 0 309.251 4.214 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486725225 339732657 /nfs/dbraw/zinc/73/26/57/339732657.db2.gz YCRGWWABFAWWEV-UHFFFAOYSA-N 1 0 310.372 4.162 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(Br)c2cccnc12 ZINC000491935907 339887328 /nfs/dbraw/zinc/88/73/28/339887328.db2.gz CVRZHOACCYTKIL-UHFFFAOYSA-N 1 0 317.230 4.171 20 30 DIEDRO N#CCC[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1 ZINC000494602134 339954754 /nfs/dbraw/zinc/95/47/54/339954754.db2.gz HZIHELPWJKZZNU-CBNMVNINSA-N 1 0 320.436 4.369 20 30 DIEDRO C=CCCOCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000494975297 339968283 /nfs/dbraw/zinc/96/82/83/339968283.db2.gz XDYNAPXYQZNBTO-UHFFFAOYSA-N 1 0 317.379 4.237 20 30 DIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC000495406956 339983191 /nfs/dbraw/zinc/98/31/91/339983191.db2.gz HIQXQTQXFWHYKA-IRXDYDNUSA-N 1 0 308.425 4.109 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000497100408 340020236 /nfs/dbraw/zinc/02/02/36/340020236.db2.gz SXXWPPNAOINQAP-ZBEGNZNMSA-N 1 0 320.845 4.139 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)c1 ZINC000498794517 340023346 /nfs/dbraw/zinc/02/33/46/340023346.db2.gz YHXHXZZICFWNDI-LJQANCHMSA-N 1 0 306.409 4.083 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000499968931 340047956 /nfs/dbraw/zinc/04/79/56/340047956.db2.gz AIVJFUUZDGENOX-UHFFFAOYSA-N 1 0 304.437 4.489 20 30 DIEDRO C=CCc1cc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)cc(OC)c1O ZINC000500127174 340050769 /nfs/dbraw/zinc/05/07/69/340050769.db2.gz YWGRRHLKKZDLSE-KBPBESRZSA-N 1 0 303.446 4.044 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCC[C@H](C)C2)cc(OC)c1O ZINC000500156584 340051554 /nfs/dbraw/zinc/05/15/54/340051554.db2.gz MHVHQOLXNBXHGD-GJZGRUSLSA-N 1 0 303.446 4.045 20 30 DIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1ccc(C#N)cc1F ZINC000500238697 340053805 /nfs/dbraw/zinc/05/38/05/340053805.db2.gz VLTZZFAFPAJVAX-UHFFFAOYSA-N 1 0 314.379 4.291 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc(OC)c1O ZINC000500292669 340054625 /nfs/dbraw/zinc/05/46/25/340054625.db2.gz ULOGAHSLKJFWLZ-JKIFEVAISA-N 1 0 303.446 4.044 20 30 DIEDRO C[C@@H]1C[C@]1([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000500403493 340057058 /nfs/dbraw/zinc/05/70/58/340057058.db2.gz NGNGQJITPYXNMR-BDJLRTHQSA-N 1 0 302.830 4.298 20 30 DIEDRO C[C@@H]1C[C@@]1([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000500416742 340057609 /nfs/dbraw/zinc/05/76/09/340057609.db2.gz OTSHJSWMQHUJBK-XIKOKIGWSA-N 1 0 314.791 4.376 20 30 DIEDRO CC[C@H]1C[C@@]1([NH2+]Cc1ccc(C#N)c(OC)c1)c1cccc(C)c1 ZINC000500532831 340061617 /nfs/dbraw/zinc/06/16/17/340061617.db2.gz LIYBIWDKTZNIHE-RXVVDRJESA-N 1 0 320.436 4.290 20 30 DIEDRO C[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000501027206 340072599 /nfs/dbraw/zinc/07/25/99/340072599.db2.gz FILBVVVTTDJJTF-OLZOCXBDSA-N 1 0 310.363 4.433 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000501204649 340076165 /nfs/dbraw/zinc/07/61/65/340076165.db2.gz OTXHAUBAEUMYDR-QGZVFWFLSA-N 1 0 310.397 4.277 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000501269930 340077636 /nfs/dbraw/zinc/07/76/36/340077636.db2.gz SBMDDCBPHFJKPF-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC2(C#N)CC2)C1 ZINC000501543156 340083170 /nfs/dbraw/zinc/08/31/70/340083170.db2.gz XENXHZZDTJGJEZ-DOMZBBRYSA-N 1 0 308.347 4.392 20 30 DIEDRO CCSCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000502337867 340100202 /nfs/dbraw/zinc/10/02/02/340100202.db2.gz YLTLRXXGJQMPQD-UHFFFAOYSA-N 1 0 302.487 4.123 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1CCC[C@@H]1CCOC)c1ccc(F)c(F)c1 ZINC000502427735 340102960 /nfs/dbraw/zinc/10/29/60/340102960.db2.gz BTSJTNAKRNYVOX-XWIAVFTESA-N 1 0 309.400 4.377 20 30 DIEDRO CCOc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502504744 340106311 /nfs/dbraw/zinc/10/63/11/340106311.db2.gz MQTQECIPTUQORA-UHFFFAOYSA-N 1 0 318.420 4.246 20 30 DIEDRO CC[C@H]1C[C@]1([NH2+]Cc1ccc(CC#N)cc1)c1cccc(C)c1 ZINC000502512782 340106631 /nfs/dbraw/zinc/10/66/31/340106631.db2.gz SEHMRDZVUYUWDW-PZJWPPBQSA-N 1 0 304.437 4.476 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)cc1 ZINC000502563331 340107916 /nfs/dbraw/zinc/10/79/16/340107916.db2.gz MSFOOUUNIBBSGO-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO CC[C@H]1C[C@]1([NH2+]Cc1cccc(C#N)c1F)c1cccc(C)c1 ZINC000502560816 340107930 /nfs/dbraw/zinc/10/79/30/340107930.db2.gz STYKALDKXGMLPZ-FXAWDEMLSA-N 1 0 308.400 4.421 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502561200 340107932 /nfs/dbraw/zinc/10/79/32/340107932.db2.gz BSYGSJKUJWDVJC-HZPDHXFCSA-N 1 0 322.399 4.128 20 30 DIEDRO CC[C@H]1C[C@@]1([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(C)c1 ZINC000502598027 340108877 /nfs/dbraw/zinc/10/88/77/340108877.db2.gz YNHCEICDNINAEV-PXNSSMCTSA-N 1 0 308.400 4.421 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503873321 340135493 /nfs/dbraw/zinc/13/54/93/340135493.db2.gz PCJIHQSCDSJKHB-PMACEKPBSA-N 1 0 324.468 4.314 20 30 DIEDRO C=C(C[NH2+]Cc1c(F)cccc1N1CCCC1)c1ccccc1 ZINC000504046538 340140110 /nfs/dbraw/zinc/14/01/10/340140110.db2.gz SWGUQFQEEFMNLL-UHFFFAOYSA-N 1 0 310.416 4.229 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000505858638 340179843 /nfs/dbraw/zinc/17/98/43/340179843.db2.gz HSDHLZKCSIJSGA-UHFFFAOYSA-N 1 0 316.470 4.429 20 30 DIEDRO Cc1cc(OCC[NH+]2CCC(C)(C#N)CC2)ccc1C(C)C ZINC000506042577 340184047 /nfs/dbraw/zinc/18/40/47/340184047.db2.gz VKZAMQWUDKXUIY-UHFFFAOYSA-N 1 0 300.446 4.123 20 30 DIEDRO Cc1ccc(OCCC[N@@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000506120686 340186033 /nfs/dbraw/zinc/18/60/33/340186033.db2.gz BXUVHLRSJRGAIP-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO COCC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)C ZINC000506151082 340186757 /nfs/dbraw/zinc/18/67/57/340186757.db2.gz ZNSPCVLSRCQIAT-UHFFFAOYSA-N 1 0 322.452 4.330 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000506495987 340195769 /nfs/dbraw/zinc/19/57/69/340195769.db2.gz PDCHQAXRXQBSBM-MRXNPFEDSA-N 1 0 308.425 4.020 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc(OC)c1O ZINC000507063932 340206391 /nfs/dbraw/zinc/20/63/91/340206391.db2.gz HOEKJIQVYLHAHQ-LJQANCHMSA-N 1 0 323.436 4.119 20 30 DIEDRO CC[C@H](C)[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000507144200 340209480 /nfs/dbraw/zinc/20/94/80/340209480.db2.gz PPZYEVQVLDEYHX-INIZCTEOSA-N 1 0 308.425 4.368 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000507181629 340211554 /nfs/dbraw/zinc/21/15/54/340211554.db2.gz LFUCSPGNGYNXOF-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000507442140 340219655 /nfs/dbraw/zinc/21/96/55/340219655.db2.gz NALKZEBPJJLKPO-JTQLQIEISA-N 1 0 322.305 4.008 20 30 DIEDRO C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000507442142 340219669 /nfs/dbraw/zinc/21/96/69/340219669.db2.gz NALKZEBPJJLKPO-SNVBAGLBSA-N 1 0 322.305 4.008 20 30 DIEDRO CC[C@@H]1C[C@@H](C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000507801423 340232179 /nfs/dbraw/zinc/23/21/79/340232179.db2.gz DNUVFSQKUNNMRM-VDZJLULYSA-N 1 0 300.446 4.146 20 30 DIEDRO CC[N@H+](Cc1ccc2c(c1)CCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606753 340247730 /nfs/dbraw/zinc/24/77/30/340247730.db2.gz ZKHZLVMERSLFKM-HNNXBMFYSA-N 1 0 306.409 4.076 20 30 DIEDRO CC[N@H+](CC1=Cc2ccccc2OC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606782 340247811 /nfs/dbraw/zinc/24/78/11/340247811.db2.gz ZPIUEXALJSLDRO-INIZCTEOSA-N 1 0 318.420 4.417 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000508635218 340249098 /nfs/dbraw/zinc/24/90/98/340249098.db2.gz BTROKIXGMPJUDK-UHFFFAOYSA-N 1 0 322.452 4.101 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000508674195 340250194 /nfs/dbraw/zinc/25/01/94/340250194.db2.gz YDFMOVJEMYRJNN-IBGZPJMESA-N 1 0 318.424 4.179 20 30 DIEDRO C=C(C)CC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000509024009 340258653 /nfs/dbraw/zinc/25/86/53/340258653.db2.gz ZVEFDHSIDFDRKI-KRWDZBQOSA-N 1 0 301.821 4.117 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000509055081 340259781 /nfs/dbraw/zinc/25/97/81/340259781.db2.gz KYJJXNPBJNYCPF-DAXSKMNVSA-N 1 0 318.420 4.115 20 30 DIEDRO C=CCCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000302105878 340268062 /nfs/dbraw/zinc/26/80/62/340268062.db2.gz LYLJNKMPYZGMDH-UHFFFAOYSA-N 1 0 305.219 4.053 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000509392886 340268161 /nfs/dbraw/zinc/26/81/61/340268161.db2.gz MEQYQSRMIMKTMZ-UHFFFAOYSA-N 1 0 321.461 4.279 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000509796912 340279321 /nfs/dbraw/zinc/27/93/21/340279321.db2.gz DUFDAORHXBFKEZ-TXQCQQFXSA-N 1 0 320.436 4.459 20 30 DIEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCCSCC#N ZINC000510251548 340294241 /nfs/dbraw/zinc/29/42/41/340294241.db2.gz CYUKKJCLFOYWOG-RDJZCZTQSA-N 1 0 318.486 4.115 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000510717318 340307834 /nfs/dbraw/zinc/30/78/34/340307834.db2.gz QXXKGLYBXABXER-GHBBCFCZSA-N 1 0 324.468 4.417 20 30 DIEDRO N#CC1(F)CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000510967336 340316581 /nfs/dbraw/zinc/31/65/81/340316581.db2.gz LFDKWEHWUQZRKT-UHFFFAOYSA-N 1 0 312.841 4.150 20 30 DIEDRO Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000510949103 340315889 /nfs/dbraw/zinc/31/58/89/340315889.db2.gz GUJORHGKYPMENJ-UHFFFAOYSA-N 1 0 302.437 4.429 20 30 DIEDRO Cc1cc(OCCC[C@H](C)[NH2+]CC2(CC#N)CC2)ccc1Cl ZINC000510999042 340317652 /nfs/dbraw/zinc/31/76/52/340317652.db2.gz XGPMBLGBACOKEU-HNNXBMFYSA-N 1 0 320.864 4.479 20 30 DIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000511037016 340318992 /nfs/dbraw/zinc/31/89/92/340318992.db2.gz WKSTVEAEBHXBDG-XIKOKIGWSA-N 1 0 310.372 4.044 20 30 DIEDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(Cl)cc2C#N)C1 ZINC000511358950 340325942 /nfs/dbraw/zinc/32/59/42/340325942.db2.gz KAVHRNJERPMSAM-CQSZACIVSA-N 1 0 305.853 4.136 20 30 DIEDRO N#CCCCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511541739 340329956 /nfs/dbraw/zinc/32/99/56/340329956.db2.gz MJBJLURLBWREEG-OAHLLOKOSA-N 1 0 312.335 4.320 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000511843782 340340169 /nfs/dbraw/zinc/34/01/69/340340169.db2.gz ONHOPVBJZYTYEV-NJYVYQBISA-N 1 0 302.421 4.326 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(Cl)c1F ZINC000512182584 340351246 /nfs/dbraw/zinc/35/12/46/340351246.db2.gz DWIROQPPXYJVMA-UHFFFAOYSA-N 1 0 323.795 4.143 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512279820 340355240 /nfs/dbraw/zinc/35/52/40/340355240.db2.gz NHZXMUJEVNKPDE-AXHNFQJDSA-N 1 0 318.436 4.332 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512279828 340355282 /nfs/dbraw/zinc/35/52/82/340355282.db2.gz NHZXMUJEVNKPDE-AZOIQLNYSA-N 1 0 318.436 4.332 20 30 DIEDRO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512289520 340355607 /nfs/dbraw/zinc/35/56/07/340355607.db2.gz SRAYMSDIHKTPCW-JTOQLSFASA-N 1 0 308.400 4.468 20 30 DIEDRO C=C(C)C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000512343746 340358148 /nfs/dbraw/zinc/35/81/48/340358148.db2.gz RKMGXRMUDSNRSO-UHFFFAOYSA-N 1 0 312.360 4.495 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(Cl)ccc1F ZINC000512408648 340360884 /nfs/dbraw/zinc/36/08/84/340360884.db2.gz JETRHSFTYBDITA-UHFFFAOYSA-N 1 0 323.795 4.143 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@@H](C)c1cccc(OC)c1 ZINC000512450620 340362267 /nfs/dbraw/zinc/36/22/67/340362267.db2.gz ULQVTLIMMGPAHS-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@H](C)c1cccc(OC)c1 ZINC000512450621 340362420 /nfs/dbraw/zinc/36/24/20/340362420.db2.gz ULQVTLIMMGPAHS-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000512458345 340362495 /nfs/dbraw/zinc/36/24/95/340362495.db2.gz ZQQRIXQYCTVNNC-LJQANCHMSA-N 1 0 323.415 4.100 20 30 DIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cccc(F)c1 ZINC000512506232 340364593 /nfs/dbraw/zinc/36/45/93/340364593.db2.gz IYZKWDUHILSJLA-UHFFFAOYSA-N 1 0 301.409 4.181 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cnc(C(C)C)s2)cc1 ZINC000512535821 340365920 /nfs/dbraw/zinc/36/59/20/340365920.db2.gz DDRYLOOMUUBPOU-UHFFFAOYSA-N 1 0 302.443 4.121 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2Cl)cc1 ZINC000512553037 340366601 /nfs/dbraw/zinc/36/66/01/340366601.db2.gz XTCYPPUEVKUDQG-UHFFFAOYSA-N 1 0 317.816 4.203 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000512557403 340366897 /nfs/dbraw/zinc/36/68/97/340366897.db2.gz QNVSLZXRSNPYFC-UHFFFAOYSA-N 1 0 323.436 4.330 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000512578477 340367772 /nfs/dbraw/zinc/36/77/72/340367772.db2.gz PUCBWZCXUZHMBS-UHFFFAOYSA-N 1 0 316.470 4.295 20 30 DIEDRO Cc1cc(C)cc(OCC[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512614072 340369092 /nfs/dbraw/zinc/36/90/92/340369092.db2.gz USTKAXFLYGOWDS-OAHLLOKOSA-N 1 0 312.388 4.044 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512618867 340369359 /nfs/dbraw/zinc/36/93/59/340369359.db2.gz KEKPXXBBQBDVGX-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO Cc1ccccc1OCCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512619861 340369440 /nfs/dbraw/zinc/36/94/40/340369440.db2.gz NNOVLEUQLUPWIJ-OAHLLOKOSA-N 1 0 312.388 4.126 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1F)c1ccc(C#N)cc1F ZINC000512625727 340369629 /nfs/dbraw/zinc/36/96/29/340369629.db2.gz QBXOHPZONWDCDD-CYBMUJFWSA-N 1 0 314.379 4.465 20 30 DIEDRO C[C@@H]([NH2+]CCSc1ccccc1)c1ccc(C#N)cc1F ZINC000512626921 340369642 /nfs/dbraw/zinc/36/96/42/340369642.db2.gz XPTLLXUGFRTDGK-CYBMUJFWSA-N 1 0 300.402 4.140 20 30 DIEDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512624904 340369696 /nfs/dbraw/zinc/36/96/96/340369696.db2.gz KWWLNIJDRCZOIG-CYBMUJFWSA-N 1 0 300.352 4.120 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512623761 340369710 /nfs/dbraw/zinc/36/97/10/340369710.db2.gz GOTBISIDKNVKOQ-NWDGAFQWSA-N 1 0 316.351 4.257 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000512629637 340369967 /nfs/dbraw/zinc/36/99/67/340369967.db2.gz JPJOSTSIOTUWPV-JOQOYGCGSA-N 1 0 318.436 4.189 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000512629633 340370113 /nfs/dbraw/zinc/37/01/13/340370113.db2.gz JPJOSTSIOTUWPV-DHSIGJKJSA-N 1 0 318.436 4.189 20 30 DIEDRO C[C@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(C#N)cc1F ZINC000512643992 340370541 /nfs/dbraw/zinc/37/05/41/340370541.db2.gz ZBFNVHFYRIDBIA-HNNXBMFYSA-N 1 0 321.399 4.393 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1F ZINC000512650135 340370924 /nfs/dbraw/zinc/37/09/24/340370924.db2.gz XKKANJRZNBVKNW-HOCLYGCPSA-N 1 0 316.420 4.230 20 30 DIEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512649036 340370940 /nfs/dbraw/zinc/37/09/40/340370940.db2.gz PZFYCGGHPATOOR-OAHLLOKOSA-N 1 0 323.415 4.017 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512650172 340370955 /nfs/dbraw/zinc/37/09/55/340370955.db2.gz XPXAJKAMJFCVHQ-GFCCVEGCSA-N 1 0 316.351 4.086 20 30 DIEDRO Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512654791 340371262 /nfs/dbraw/zinc/37/12/62/340371262.db2.gz OVNMWBUWRZIKSD-CABCVRRESA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(C#N)cc1F ZINC000512654471 340371319 /nfs/dbraw/zinc/37/13/19/340371319.db2.gz MMPZDWQRLOOSIJ-CYBMUJFWSA-N 1 0 312.363 4.219 20 30 DIEDRO C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512661067 340371713 /nfs/dbraw/zinc/37/17/13/340371713.db2.gz PSGCMALIPGGAMA-HNNXBMFYSA-N 1 0 308.400 4.371 20 30 DIEDRO C[C@@H]([NH2+]CCC1Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512661752 340371788 /nfs/dbraw/zinc/37/17/88/340371788.db2.gz UBBWGEIKTVMROT-CQSZACIVSA-N 1 0 308.400 4.153 20 30 DIEDRO C[N@H+](CCc1cccc2ccccc21)Cc1ccc(C#N)s1 ZINC000512664256 340371829 /nfs/dbraw/zinc/37/18/29/340371829.db2.gz YUVVHKLOMDUMBN-UHFFFAOYSA-N 1 0 306.434 4.447 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000512665013 340371838 /nfs/dbraw/zinc/37/18/38/340371838.db2.gz CTAWCTHDFUHLFP-GKCIPKSASA-N 1 0 324.399 4.268 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+](CCC3CCCC3)CC2)c(F)c1 ZINC000512812457 340378636 /nfs/dbraw/zinc/37/86/36/340378636.db2.gz UOJJAMAAGFYDRI-UHFFFAOYSA-N 1 0 316.420 4.121 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+](CC3CCCCC3)CC2)c(F)c1 ZINC000512812517 340378713 /nfs/dbraw/zinc/37/87/13/340378713.db2.gz VNODWCMCHMQFHO-UHFFFAOYSA-N 1 0 316.420 4.121 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512817890 340379166 /nfs/dbraw/zinc/37/91/66/340379166.db2.gz NXENGVJLMWUFPI-HNNXBMFYSA-N 1 0 316.420 4.285 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(C(F)(F)F)CC2)cc1Cl ZINC000512863629 340381403 /nfs/dbraw/zinc/38/14/03/340381403.db2.gz DVKOAEVBRVDRSB-UHFFFAOYSA-N 1 0 319.754 4.337 20 30 DIEDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000513071488 340391923 /nfs/dbraw/zinc/39/19/23/340391923.db2.gz YBPYZEBFRUYKSB-QRWLVFNGSA-N 1 0 306.409 4.025 20 30 DIEDRO C[C@H]1SCC[N@H+](CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000174868191 340397921 /nfs/dbraw/zinc/39/79/21/340397921.db2.gz KISZIUORVBBWAB-NVXWUHKLSA-N 1 0 302.487 4.495 20 30 DIEDRO Cc1ccc([C@@H]2CSCC[N@@H+]2CCCC(C)(C)C#N)cc1 ZINC000174866229 340397941 /nfs/dbraw/zinc/39/79/41/340397941.db2.gz HZDKEFWZILTRST-KRWDZBQOSA-N 1 0 302.487 4.415 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2ccsc2S1 ZINC000404853639 340417615 /nfs/dbraw/zinc/41/76/15/340417615.db2.gz RXLNPHOQNDGRGQ-BONVTDFDSA-N 1 0 318.442 4.474 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000516948261 340459849 /nfs/dbraw/zinc/45/98/49/340459849.db2.gz LVHASUOQAKQWRD-NVXWUHKLSA-N 1 0 320.502 4.262 20 30 DIEDRO CC1(C)CC[C@@H]2C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c3cccc1c32 ZINC000517230979 340466144 /nfs/dbraw/zinc/46/61/44/340466144.db2.gz MBIHZENTSBYKNT-RKVPGOIHSA-N 1 0 307.441 4.320 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000185886077 340506189 /nfs/dbraw/zinc/50/61/89/340506189.db2.gz LFDYPJJHGYSBRF-ZBFHGGJFSA-N 1 0 317.502 4.405 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000190835077 340547349 /nfs/dbraw/zinc/54/73/49/340547349.db2.gz HHCICNMMLTWJGU-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO Cn1cc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)cc1C#N ZINC000191314958 340552799 /nfs/dbraw/zinc/55/27/99/340552799.db2.gz QRJYMQMDIQGLLD-IBGZPJMESA-N 1 0 311.404 4.057 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237405741 340670703 /nfs/dbraw/zinc/67/07/03/340670703.db2.gz PXGLBUKGMFNHSS-HZPDHXFCSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000393764011 340705604 /nfs/dbraw/zinc/70/56/04/340705604.db2.gz ZVQPLKOXNUXUJG-AAEUAGOBSA-N 1 0 312.251 4.463 20 30 DIEDRO COc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037996319 340788903 /nfs/dbraw/zinc/78/89/03/340788903.db2.gz QJLRQEQUWSMYQX-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1F)c1ccc(C#N)cc1 ZINC000538398300 340821185 /nfs/dbraw/zinc/82/11/85/340821185.db2.gz GOLBMNLTHHQLQD-CQSZACIVSA-N 1 0 314.429 4.281 20 30 DIEDRO CC(C)c1ccccc1OCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000538405745 340821425 /nfs/dbraw/zinc/82/14/25/340821425.db2.gz DCYFECPLDCAZTC-INIZCTEOSA-N 1 0 308.425 4.411 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000538410271 340821854 /nfs/dbraw/zinc/82/18/54/340821854.db2.gz KUXRHZQOCIRNJY-QWRGUYRKSA-N 1 0 302.365 4.078 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000539071496 340870506 /nfs/dbraw/zinc/87/05/06/340870506.db2.gz QDRWWXOXQDHNNW-HUUCEWRRSA-N 1 0 303.450 4.176 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(F)c1 ZINC000539073190 340870617 /nfs/dbraw/zinc/87/06/17/340870617.db2.gz JKLISOMLHBRBPS-AWEZNQCLSA-N 1 0 314.429 4.281 20 30 DIEDRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000539497807 340887799 /nfs/dbraw/zinc/88/77/99/340887799.db2.gz YPJPQRVFOKCJOF-HOTGVXAUSA-N 1 0 308.425 4.411 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)s1)Oc1ccccc1Cl ZINC000539513352 340888774 /nfs/dbraw/zinc/88/87/74/340888774.db2.gz BBIMTZGGXSWBED-GFCCVEGCSA-N 1 0 320.845 4.220 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC000539820790 340901981 /nfs/dbraw/zinc/90/19/81/340901981.db2.gz GYMXLLKFRDLTOZ-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000540319780 340926786 /nfs/dbraw/zinc/92/67/86/340926786.db2.gz UXESVCRNCHPNKX-CYBMUJFWSA-N 1 0 319.326 4.129 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(C#N)c1F)c1cccc(Cl)c1 ZINC000540388457 340928971 /nfs/dbraw/zinc/92/89/71/340928971.db2.gz QDYAAECFTQQMJL-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccccc1Cl)c1ccc(C#N)c(F)c1 ZINC000540707001 340942421 /nfs/dbraw/zinc/94/24/21/340942421.db2.gz XRGFWHVNCYEABL-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](CC(C)C)c1cccs1 ZINC000541625781 340978269 /nfs/dbraw/zinc/97/82/69/340978269.db2.gz KSWXDQXIJXEFPS-JKSUJKDBSA-N 1 0 322.518 4.238 20 30 DIEDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542106878 340995563 /nfs/dbraw/zinc/99/55/63/340995563.db2.gz YDRFAIOXDIXRBL-OWCLPIDISA-N 1 0 308.425 4.299 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000542257228 341002256 /nfs/dbraw/zinc/00/22/56/341002256.db2.gz KSEIVOPUWUPUHJ-INIZCTEOSA-N 1 0 308.425 4.391 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000542276943 341002983 /nfs/dbraw/zinc/00/29/83/341002983.db2.gz FIPWFJWUDBADGJ-MGPUTAFESA-N 1 0 308.400 4.475 20 30 DIEDRO C=CCOc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542484159 341009714 /nfs/dbraw/zinc/00/97/14/341009714.db2.gz RAIPKFUMRTWLNI-UHFFFAOYSA-N 1 0 318.420 4.288 20 30 DIEDRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCCC#N ZINC000542501018 341010720 /nfs/dbraw/zinc/01/07/20/341010720.db2.gz NOTMFUGWLJZSGB-HNNXBMFYSA-N 1 0 309.251 4.054 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000542678502 341016994 /nfs/dbraw/zinc/01/69/94/341016994.db2.gz UUOHJHLOMBQMTM-FQEVSTJZSA-N 1 0 316.489 4.449 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000130405113 341020911 /nfs/dbraw/zinc/02/09/11/341020911.db2.gz WZKXNLNBDHHIGG-SFHVURJKSA-N 1 0 317.392 4.075 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946838 341026912 /nfs/dbraw/zinc/02/69/12/341026912.db2.gz AESVANUURZKPQZ-RVHYNSKXSA-N 1 0 320.436 4.179 20 30 DIEDRO CC(C)OCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942364 341026939 /nfs/dbraw/zinc/02/69/39/341026939.db2.gz PSFJUBZTRTYXQQ-MRXNPFEDSA-N 1 0 308.425 4.301 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000543209673 341036881 /nfs/dbraw/zinc/03/68/81/341036881.db2.gz YWSOATAWPSWLTE-FOIQADDNSA-N 1 0 308.400 4.475 20 30 DIEDRO Clc1cccc(C#CC[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000543439190 341044565 /nfs/dbraw/zinc/04/45/65/341044565.db2.gz WTWKOZIERNEJRZ-KRWDZBQOSA-N 1 0 301.842 4.494 20 30 DIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](CC(C)C)c1cccs1 ZINC000543487126 341047174 /nfs/dbraw/zinc/04/71/74/341047174.db2.gz KYZLDUOSUWCZSP-HZPDHXFCSA-N 1 0 320.502 4.014 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543632125 341052326 /nfs/dbraw/zinc/05/23/26/341052326.db2.gz MTDNVJRHVUUPPO-JOQOYGCGSA-N 1 0 324.871 4.416 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000543635111 341052433 /nfs/dbraw/zinc/05/24/33/341052433.db2.gz MRUPVPRHHKQKOP-HUUCEWRRSA-N 1 0 301.455 4.250 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000543806690 341059780 /nfs/dbraw/zinc/05/97/80/341059780.db2.gz GWLKLDYRWQKPKL-UHFFFAOYSA-N 1 0 315.420 4.351 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543915511 341063205 /nfs/dbraw/zinc/06/32/05/341063205.db2.gz AJTQAWMZSRHYFV-ZIAGYGMSSA-N 1 0 315.383 4.284 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543915508 341063392 /nfs/dbraw/zinc/06/33/92/341063392.db2.gz AJTQAWMZSRHYFV-KBPBESRZSA-N 1 0 315.383 4.284 20 30 DIEDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961859 341064303 /nfs/dbraw/zinc/06/43/03/341064303.db2.gz UGRKVVOQFXKVMG-HOTGVXAUSA-N 1 0 308.425 4.301 20 30 DIEDRO COc1ccc(C2CCC([NH2+]Cc3cccc(C#N)c3)CC2)cc1 ZINC000544353183 341077556 /nfs/dbraw/zinc/07/75/56/341077556.db2.gz QUSWLPITAVLQOY-UHFFFAOYSA-N 1 0 320.436 4.383 20 30 DIEDRO COc1ccc(C2(C[NH2+][C@H](C)c3cccc(C#N)c3)CCC2)cc1 ZINC000544375365 341079062 /nfs/dbraw/zinc/07/90/62/341079062.db2.gz UGEFKAWMMPPXMC-MRXNPFEDSA-N 1 0 320.436 4.339 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000544421882 341081608 /nfs/dbraw/zinc/08/16/08/341081608.db2.gz OOZNOQIMRPWKMI-NEPJUHHUSA-N 1 0 317.399 4.458 20 30 DIEDRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cn1 ZINC000544470948 341083716 /nfs/dbraw/zinc/08/37/16/341083716.db2.gz OOPGWRXAYKOZPM-HNNXBMFYSA-N 1 0 310.445 4.116 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc2c(c1)CCCC2 ZINC000544881101 341097198 /nfs/dbraw/zinc/09/71/98/341097198.db2.gz ZLAPEEUWXLUTQJ-CQSZACIVSA-N 1 0 308.400 4.427 20 30 DIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000544927389 341099672 /nfs/dbraw/zinc/09/96/72/341099672.db2.gz AGLBKYAQYMOOLC-OXJNMPFZSA-N 1 0 311.473 4.208 20 30 DIEDRO CC[C@H](CSc1ccccc1)[NH2+]Cc1ccc(C#N)s1 ZINC000131701995 341109232 /nfs/dbraw/zinc/10/92/32/341109232.db2.gz HQJRFRRWMAFQKL-CYBMUJFWSA-N 1 0 302.468 4.280 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545157459 341110727 /nfs/dbraw/zinc/11/07/27/341110727.db2.gz JKLQJYCMDCVNPX-SJLPKXTDSA-N 1 0 317.864 4.497 20 30 DIEDRO CCCC[C@H](CC)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000545191388 341112624 /nfs/dbraw/zinc/11/26/24/341112624.db2.gz BYJIGCGNRDLSKI-AOCRQIFASA-N 1 0 315.461 4.202 20 30 DIEDRO C=C(C)C[N@H+](CC)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000074020822 341125374 /nfs/dbraw/zinc/12/53/74/341125374.db2.gz JMQLAWTZMJLZQP-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000545520526 341128328 /nfs/dbraw/zinc/12/83/28/341128328.db2.gz PQEQPDHPGKGLTD-HNNXBMFYSA-N 1 0 320.436 4.296 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000074314518 341143271 /nfs/dbraw/zinc/14/32/71/341143271.db2.gz RCWBFJYIVIMHND-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(SC2CCCC2)cc1 ZINC000545979311 341149424 /nfs/dbraw/zinc/14/94/24/341149424.db2.gz HMKAYNREHTZUJE-GDBMZVCRSA-N 1 0 305.487 4.309 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000132964915 341150805 /nfs/dbraw/zinc/15/08/05/341150805.db2.gz CHXOKCRDLFEUND-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO N#CCSCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000074981218 341158706 /nfs/dbraw/zinc/15/87/06/341158706.db2.gz MIXGJZKHPSNXSA-UHFFFAOYSA-N 1 0 310.466 4.336 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCSCC#N ZINC000074989667 341159206 /nfs/dbraw/zinc/15/92/06/341159206.db2.gz IEUHBXPVTLXJAU-ZWKOTPCHSA-N 1 0 302.487 4.291 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000075755636 341182046 /nfs/dbraw/zinc/18/20/46/341182046.db2.gz ZQGFKPUWGCEOMQ-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)c1ccccc1Cl ZINC000236732259 341197324 /nfs/dbraw/zinc/19/73/24/341197324.db2.gz OMBOZVVNSJLAIK-UHFFFAOYSA-N 1 0 304.846 4.341 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000134155105 341207967 /nfs/dbraw/zinc/20/79/67/341207967.db2.gz XRENTJNYQMCZHP-HIFRSBDPSA-N 1 0 314.454 4.241 20 30 DIEDRO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000547392615 341210613 /nfs/dbraw/zinc/21/06/13/341210613.db2.gz VSRKVBCCRVYLQF-FHTBDLFWSA-N 1 0 308.400 4.468 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000547393554 341210848 /nfs/dbraw/zinc/21/08/48/341210848.db2.gz UKNMLAXZSKYXIS-GXTWGEPZSA-N 1 0 321.367 4.029 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000076737234 341213364 /nfs/dbraw/zinc/21/33/64/341213364.db2.gz OBRJXYLVJBJDCI-LLVKDONJSA-N 1 0 315.244 4.218 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCSCc2cccc3ccccc32)o1 ZINC000237842175 341221811 /nfs/dbraw/zinc/22/18/11/341221811.db2.gz ANNIMQSRSKEOQU-UHFFFAOYSA-N 1 0 322.433 4.327 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000135177685 341232797 /nfs/dbraw/zinc/23/27/97/341232797.db2.gz DOOFSXPNQHYIPY-IBGZPJMESA-N 1 0 319.452 4.174 20 30 DIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000547832727 341236409 /nfs/dbraw/zinc/23/64/09/341236409.db2.gz RAOXOGFMIGGXSM-NVXWUHKLSA-N 1 0 324.428 4.057 20 30 DIEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000547832728 341236422 /nfs/dbraw/zinc/23/64/22/341236422.db2.gz RAOXOGFMIGGXSM-RDJZCZTQSA-N 1 0 324.428 4.057 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(C(F)(F)F)cc1 ZINC000135675022 341243743 /nfs/dbraw/zinc/24/37/43/341243743.db2.gz OKBDLAGWORBBNB-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2ccncc2C#N)cc1 ZINC000548153546 341249788 /nfs/dbraw/zinc/24/97/88/341249788.db2.gz VFCOGYBCGBBAQB-OAHLLOKOSA-N 1 0 306.413 4.071 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000079046527 341252622 /nfs/dbraw/zinc/25/26/22/341252622.db2.gz YGUUBKYRROXISA-GFCCVEGCSA-N 1 0 304.315 4.428 20 30 DIEDRO CO[C@@H](C[N@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000549350389 341292122 /nfs/dbraw/zinc/29/21/22/341292122.db2.gz WDNXFINNMJLYNP-FQEVSTJZSA-N 1 0 308.425 4.156 20 30 DIEDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000081522001 341294860 /nfs/dbraw/zinc/29/48/60/341294860.db2.gz KGGBYBOBLRPIHW-GOSISDBHSA-N 1 0 320.436 4.084 20 30 DIEDRO N#CCCOCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000549535588 341296739 /nfs/dbraw/zinc/29/67/39/341296739.db2.gz GQKOVLVHESYXTP-KRWDZBQOSA-N 1 0 306.837 4.091 20 30 DIEDRO C=CCOCC[N@@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000549866105 341305495 /nfs/dbraw/zinc/30/54/95/341305495.db2.gz MGNQSEPBVRPOAF-OAHLLOKOSA-N 1 0 316.470 4.314 20 30 DIEDRO CC(C)(C)c1ccc(C(C)(C)C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000550219439 341312682 /nfs/dbraw/zinc/31/26/82/341312682.db2.gz QBUKEQPYBJGXNA-MRXNPFEDSA-N 1 0 311.473 4.295 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000245833300 341315672 /nfs/dbraw/zinc/31/56/72/341315672.db2.gz CCUKPLSFNLGSHN-OMNBBPDLSA-N 1 0 301.821 4.070 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)CCO1 ZINC000245899950 341317773 /nfs/dbraw/zinc/31/77/73/341317773.db2.gz DMPTWRFWMAQZEA-ZMYBRWDISA-N 1 0 300.446 4.193 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000550883362 341325446 /nfs/dbraw/zinc/32/54/46/341325446.db2.gz ZAQJLXXDEFMDTA-AWEZNQCLSA-N 1 0 300.368 4.367 20 30 DIEDRO COc1ccc(C[N@H+]([C@H](C)c2ccccc2)C2CC2)cc1C#N ZINC000551007563 341328983 /nfs/dbraw/zinc/32/89/83/341328983.db2.gz IOEPQHLUOHZHTA-OAHLLOKOSA-N 1 0 306.409 4.292 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)ccc1C#N ZINC000551197554 341333874 /nfs/dbraw/zinc/33/38/74/341333874.db2.gz FXRIJHXJNDMPQS-AWEZNQCLSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CCOCC1 ZINC000551221668 341334236 /nfs/dbraw/zinc/33/42/36/341334236.db2.gz FSVBXQVLUCDQIZ-MOPGFXCFSA-N 1 0 300.446 4.216 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000551241199 341335207 /nfs/dbraw/zinc/33/52/07/341335207.db2.gz SBVTZDLZEFTCBH-INIZCTEOSA-N 1 0 302.462 4.212 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000551241895 341335255 /nfs/dbraw/zinc/33/52/55/341335255.db2.gz XHBOPNMQNFXZGR-ZDUSSCGKSA-N 1 0 300.446 4.169 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCSc3ccccc3F)CC2)c1 ZINC000551412257 341340901 /nfs/dbraw/zinc/34/09/01/341340901.db2.gz TUNUZZWSGXVYMD-UHFFFAOYSA-N 1 0 312.413 4.068 20 30 DIEDRO CCOc1ccccc1[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551565230 341345722 /nfs/dbraw/zinc/34/57/22/341345722.db2.gz SCFKORFKTRDRLF-OAHLLOKOSA-N 1 0 306.409 4.297 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(N[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000564383363 341352221 /nfs/dbraw/zinc/35/22/21/341352221.db2.gz YUZQRCCHGMCYSA-FQEVSTJZSA-N 1 0 305.425 4.028 20 30 DIEDRO COc1cc(C)ccc1[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551805452 341352238 /nfs/dbraw/zinc/35/22/38/341352238.db2.gz UDJQDSDTUPCCQZ-HNNXBMFYSA-N 1 0 306.409 4.215 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2)c(OC(C)(C)C)c1 ZINC000084958766 341363982 /nfs/dbraw/zinc/36/39/82/341363982.db2.gz CNDVBTLHLNAGNF-UHFFFAOYSA-N 1 0 308.425 4.334 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000247453238 341365225 /nfs/dbraw/zinc/36/52/25/341365225.db2.gz PIJYVYMONRIQLC-NDXORKPFSA-N 1 0 320.436 4.377 20 30 DIEDRO COCCC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000552089565 341368923 /nfs/dbraw/zinc/36/89/23/341368923.db2.gz NTUQVPUWYLCZHK-KYJSFNMBSA-N 1 0 320.864 4.132 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccco1 ZINC000552249031 341381333 /nfs/dbraw/zinc/38/13/33/341381333.db2.gz ZWUGIQGQAACIGY-QAPCUYQASA-N 1 0 315.413 4.353 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000552252283 341381519 /nfs/dbraw/zinc/38/15/19/341381519.db2.gz HOKLHUVPSVPBNB-QGZVFWFLSA-N 1 0 300.490 4.186 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000552252282 341381529 /nfs/dbraw/zinc/38/15/29/341381529.db2.gz HOKLHUVPSVPBNB-KRWDZBQOSA-N 1 0 300.490 4.186 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1ccco1 ZINC000552252458 341381603 /nfs/dbraw/zinc/38/16/03/341381603.db2.gz OCOXYKZNIDHPSH-HOCLYGCPSA-N 1 0 303.377 4.483 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000552290910 341384604 /nfs/dbraw/zinc/38/46/04/341384604.db2.gz YVYCTOKYHDJEIP-YVEFUNNKSA-N 1 0 300.402 4.342 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cnc(-c2ccncc2)s1 ZINC000552300404 341385260 /nfs/dbraw/zinc/38/52/60/341385260.db2.gz BDPRBJPPMWZSHF-UHFFFAOYSA-N 1 0 301.459 4.383 20 30 DIEDRO N#CC1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000141938241 341385420 /nfs/dbraw/zinc/38/54/20/341385420.db2.gz QHJRHGHYXDHODK-UHFFFAOYSA-N 1 0 306.409 4.001 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248870565 341388975 /nfs/dbraw/zinc/38/89/75/341388975.db2.gz QNSPLHMZTZZZSO-UMVBOHGHSA-N 1 0 321.262 4.052 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccccn2)cc1 ZINC000248944677 341390489 /nfs/dbraw/zinc/39/04/89/341390489.db2.gz ZCAHMWYDNJNORT-SBHAEUEKSA-N 1 0 319.452 4.346 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000248994705 341391503 /nfs/dbraw/zinc/39/15/03/341391503.db2.gz ONUBLTSBJQUGHP-DVOMOZLQSA-N 1 0 304.821 4.226 20 30 DIEDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000249286404 341395986 /nfs/dbraw/zinc/39/59/86/341395986.db2.gz PPMOXFDEEMYCGP-HNAYVOBHSA-N 1 0 306.409 4.117 20 30 DIEDRO C=CCN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Cl)s1 ZINC000552566104 341399085 /nfs/dbraw/zinc/39/90/85/341399085.db2.gz SBWZBLUTQPQJPQ-CQSZACIVSA-N 1 0 312.910 4.264 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)c(OCC2CC2)c1 ZINC000088745557 341401312 /nfs/dbraw/zinc/40/13/12/341401312.db2.gz VQURXGYLTPRYET-UHFFFAOYSA-N 1 0 312.438 4.007 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555989 341405561 /nfs/dbraw/zinc/40/55/61/341405561.db2.gz ZNMIKTKMRDCMNU-QWHCGFSZSA-N 1 0 319.836 4.123 20 30 DIEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000552922689 341408844 /nfs/dbraw/zinc/40/88/44/341408844.db2.gz OMVRFAVOLNEDJY-PUCZYUMASA-N 1 0 302.421 4.459 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000090451085 341415893 /nfs/dbraw/zinc/41/58/93/341415893.db2.gz YBJCHJBOIIMCRT-CQSZACIVSA-N 1 0 302.443 4.053 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000091068170 341421796 /nfs/dbraw/zinc/42/17/96/341421796.db2.gz MKDZAMJZUJEIIZ-UHFFFAOYSA-N 1 0 302.377 4.417 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739186 341428115 /nfs/dbraw/zinc/42/81/15/341428115.db2.gz VWYUOTBONOSZRK-KGLIPLIRSA-N 1 0 302.393 4.214 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000554981378 341471369 /nfs/dbraw/zinc/47/13/69/341471369.db2.gz CBVVTZYVUCXJKZ-KZULUSFZSA-N 1 0 310.372 4.044 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093945017 341487037 /nfs/dbraw/zinc/48/70/37/341487037.db2.gz HKTALKIBHGNWOB-MRXNPFEDSA-N 1 0 310.441 4.168 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556218488 341497779 /nfs/dbraw/zinc/49/77/79/341497779.db2.gz VBSUGKYNFLVESH-INIZCTEOSA-N 1 0 302.418 4.108 20 30 DIEDRO CCCCCn1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c(C)n1 ZINC000564423945 341501556 /nfs/dbraw/zinc/50/15/56/341501556.db2.gz NVJXSSKGPCKCLK-FQEVSTJZSA-N 1 0 322.456 4.031 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc3ccccc3c2)ccc1C#N ZINC000565333639 341524014 /nfs/dbraw/zinc/52/40/14/341524014.db2.gz VVEZLSOTCRXVPD-UHFFFAOYSA-N 1 0 302.377 4.010 20 30 DIEDRO CC(C)C[C@H](CNc1cnccc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000565865355 341540563 /nfs/dbraw/zinc/54/05/63/341540563.db2.gz LWTMCGAMNZPDFK-VQIMIIECSA-N 1 0 322.456 4.131 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000566708251 341565836 /nfs/dbraw/zinc/56/58/36/341565836.db2.gz NKPBIOXUPQQQJY-CEWLAPEOSA-N 1 0 302.421 4.471 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000566708253 341565878 /nfs/dbraw/zinc/56/58/78/341565878.db2.gz NKPBIOXUPQQQJY-TYPHKJRUSA-N 1 0 302.421 4.471 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000154165669 341585789 /nfs/dbraw/zinc/58/57/89/341585789.db2.gz JLBNIOJEFAWVML-UHFFFAOYSA-N 1 0 318.892 4.216 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000267682050 341592910 /nfs/dbraw/zinc/59/29/10/341592910.db2.gz PMFDZKWSRDPLTJ-XOBRGWDASA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCCC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000568472174 341672255 /nfs/dbraw/zinc/67/22/55/341672255.db2.gz JQTDNZUSZWJSHV-UHFFFAOYSA-N 1 0 317.454 4.392 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000574617832 341763879 /nfs/dbraw/zinc/76/38/79/341763879.db2.gz QWJGMLYSEFOIBV-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO CN(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000574717368 341766774 /nfs/dbraw/zinc/76/67/74/341766774.db2.gz QYVTWZBUNAGIBO-LXPRWKDFSA-N 1 0 319.880 4.005 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(C#N)cc1 ZINC000336875345 341809530 /nfs/dbraw/zinc/80/95/30/341809530.db2.gz FNYKVJAFMIMMQB-HZPDHXFCSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000175978359 341854758 /nfs/dbraw/zinc/85/47/58/341854758.db2.gz XCYQOOYWLDULBM-PIGZYNQJSA-N 1 0 300.402 4.172 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC000576910853 341869170 /nfs/dbraw/zinc/86/91/70/341869170.db2.gz AZDPXYDYYRZROO-NRSPTQNISA-N 1 0 318.420 4.055 20 30 DIEDRO CC[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(C#N)cc1 ZINC000577347028 341905255 /nfs/dbraw/zinc/90/52/55/341905255.db2.gz UAEHDOXMJJSWBD-IBGZPJMESA-N 1 0 321.399 4.462 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)s1 ZINC000176973843 341908991 /nfs/dbraw/zinc/90/89/91/341908991.db2.gz BBKBONZAELQLPZ-UHFFFAOYSA-N 1 0 302.830 4.095 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000577665936 341928110 /nfs/dbraw/zinc/92/81/10/341928110.db2.gz KBUJNTUAVNUWFJ-MRFFXTKBSA-N 1 0 324.399 4.050 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(CC)CCOCC2)cc1Cl ZINC000557833307 517336939 /nfs/dbraw/zinc/33/69/39/517336939.db2.gz MPDZTIKQVFUNRW-UHFFFAOYSA-N 1 0 323.864 4.201 20 30 DIEDRO Cc1cccc2nc(C3CC[NH+]([C@@H]4CC[C@H](C#N)C4)CC3)oc21 ZINC000328845737 519102831 /nfs/dbraw/zinc/10/28/31/519102831.db2.gz QHEFGESFQMZQFT-GOEBONIOSA-N 1 0 309.413 4.008 20 30 DIEDRO CC(C)C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000266564280 519718936 /nfs/dbraw/zinc/71/89/36/519718936.db2.gz ZCIDEACENAAAEQ-UHFFFAOYSA-N 1 0 324.428 4.009 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(F)c(OC)cc21)c1ccc(C#N)cc1 ZINC000338015263 522724566 /nfs/dbraw/zinc/72/45/66/522724566.db2.gz HSVRZYILLQDRQL-RBUKOAKNSA-N 1 0 324.399 4.434 20 30 DIEDRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000181887258 525368466 /nfs/dbraw/zinc/36/84/66/525368466.db2.gz CJPYHJFLSZXXGQ-ZDUSSCGKSA-N 1 0 316.351 4.319 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000181424599 525373365 /nfs/dbraw/zinc/37/33/65/525373365.db2.gz VLYOFDKGRCDLHZ-VBKZILBWSA-N 1 0 306.409 4.369 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000181574809 525389383 /nfs/dbraw/zinc/38/93/83/525389383.db2.gz YVASYERKRQNLEU-ORYQWCPZSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccc(Cl)c1Cl ZINC000191117066 525431700 /nfs/dbraw/zinc/43/17/00/525431700.db2.gz RLIZITAEZQCHIU-JTQLQIEISA-N 1 0 308.212 4.054 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000181622914 525545667 /nfs/dbraw/zinc/54/56/67/525545667.db2.gz CANBHLLSEJAUIS-YSSFQJQWSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000181320972 525556676 /nfs/dbraw/zinc/55/66/76/525556676.db2.gz ZMPVZUCSJFAMSU-SCLBCKFNSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000158203160 525575061 /nfs/dbraw/zinc/57/50/61/525575061.db2.gz IGZZOEDUPYHJLD-BEVDRBHNSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000158189766 525623586 /nfs/dbraw/zinc/62/35/86/525623586.db2.gz UXDJNHNZXMCNJZ-DCPHZVHLSA-N 1 0 324.399 4.268 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(C#N)o2)cc1 ZINC000156082556 526251679 /nfs/dbraw/zinc/25/16/79/526251679.db2.gz JPKYILMFHGZYAX-HNNXBMFYSA-N 1 0 309.413 4.138 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)o1 ZINC000162228128 526611196 /nfs/dbraw/zinc/61/11/96/526611196.db2.gz GAZNKLMIHZJJLR-UHFFFAOYSA-N 1 0 323.421 4.141 20 30 DIEDRO Cn1cc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)cc1C#N ZINC000191350215 527214328 /nfs/dbraw/zinc/21/43/28/527214328.db2.gz HJWOACLCYKWAFE-UHFFFAOYSA-N 1 0 313.832 4.109 20 30 DIEDRO Cn1cc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1C#N ZINC000191310029 527221140 /nfs/dbraw/zinc/22/11/40/527221140.db2.gz QPYSUUKGKJGZHV-IBGZPJMESA-N 1 0 311.404 4.057 20 30 DIEDRO Cn1cc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)cc1C#N ZINC000191318083 527221610 /nfs/dbraw/zinc/22/16/10/527221610.db2.gz SBHYMDIKFKGKEN-QGZVFWFLSA-N 1 0 317.383 4.052 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000273471126 535804852 /nfs/dbraw/zinc/80/48/52/535804852.db2.gz FUSQQDBBXAFGRV-KGLIPLIRSA-N 1 0 320.845 4.047 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(c2cccc(Br)c2)CC1 ZINC001172484381 1051403884 /nfs/dbraw/zinc/40/38/84/1051403884.db2.gz DPHXCMKMVBNIQQ-LBPRGKRZSA-N 1 0 307.235 4.110 20 30 DIEDRO C=CCCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC001462177127 1060986811 /nfs/dbraw/zinc/98/68/11/1060986811.db2.gz IGPZGWLSDPRPTH-NSHDSACASA-N 1 0 300.215 4.075 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001256213934 1062748782 /nfs/dbraw/zinc/74/87/82/1062748782.db2.gz DVJJZHSPFGHYIV-SWLSCSKDSA-N 1 0 309.251 4.052 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000579719922 1035529121 /nfs/dbraw/zinc/52/91/21/1035529121.db2.gz UROYDLRNMZZLNN-INIZCTEOSA-N 1 0 308.425 4.392 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000579719925 1035530320 /nfs/dbraw/zinc/53/03/20/1035530320.db2.gz UROYDLRNMZZLNN-MRXNPFEDSA-N 1 0 308.425 4.392 20 30 DIEDRO N#Cc1ccc(CC[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC001167048670 1035543910 /nfs/dbraw/zinc/54/39/10/1035543910.db2.gz IVZATLCEKSNQKK-UHFFFAOYSA-N 1 0 322.427 4.195 20 30 DIEDRO COCCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCCCC1 ZINC000186881199 1035561564 /nfs/dbraw/zinc/56/15/64/1035561564.db2.gz PBIYTXWUKJRGHL-INIZCTEOSA-N 1 0 300.446 4.196 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000153948961 1035636666 /nfs/dbraw/zinc/63/66/66/1035636666.db2.gz VZCTWORQIDECBH-IBGZPJMESA-N 1 0 305.425 4.220 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccco1 ZINC000796816123 1035682561 /nfs/dbraw/zinc/68/25/61/1035682561.db2.gz HWLKUKCXGBBNBJ-HZPDHXFCSA-N 1 0 305.805 4.264 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000655023803 1035687930 /nfs/dbraw/zinc/68/79/30/1035687930.db2.gz TUSDGRYZLWDSHD-UHFFFAOYSA-N 1 0 314.473 4.209 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1c1ccccc1 ZINC000610216063 1035748679 /nfs/dbraw/zinc/74/86/79/1035748679.db2.gz HSNPSYBRRSJMBE-HNAYVOBHSA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@H]1c1ccccc1 ZINC000610216140 1035751862 /nfs/dbraw/zinc/75/18/62/1035751862.db2.gz OOFOINNVWMBWLE-HNAYVOBHSA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000610216094 1035753206 /nfs/dbraw/zinc/75/32/06/1035753206.db2.gz LGLXTBMXODATSC-DYESRHJHSA-N 1 0 320.436 4.063 20 30 DIEDRO C[C@]1(F)CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000535842734 1035861023 /nfs/dbraw/zinc/86/10/23/1035861023.db2.gz PIUFJLIXLMBNDL-FQEVSTJZSA-N 1 0 324.399 4.071 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)C[C@@H](CC)CCC(=O)OC ZINC001208789711 1035861389 /nfs/dbraw/zinc/86/13/89/1035861389.db2.gz USPHGHSVYVJWNZ-KRWDZBQOSA-N 1 0 303.446 4.044 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1N(C)C)c1ccc(C#N)cc1 ZINC000154341206 1035876842 /nfs/dbraw/zinc/87/68/42/1035876842.db2.gz FFRGMVKUURTPMI-ZIAGYGMSSA-N 1 0 311.404 4.175 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCCc2cc3ccccc3[nH]2)c1 ZINC000305127960 1035891007 /nfs/dbraw/zinc/89/10/07/1035891007.db2.gz DHNYZFFBDXXKAP-UHFFFAOYSA-N 1 0 320.440 4.261 20 30 DIEDRO C=CCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533502930 1035996683 /nfs/dbraw/zinc/99/66/83/1035996683.db2.gz MYQPUZHKNGFXIK-CQSZACIVSA-N 1 0 317.820 4.146 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001625833541 1036106720 /nfs/dbraw/zinc/10/67/20/1036106720.db2.gz NZOPMWRGEOLDJQ-DKWYEQIVSA-N 1 0 320.521 4.426 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001209437951 1036177731 /nfs/dbraw/zinc/17/77/31/1036177731.db2.gz ABACMLICMALZSY-LSDHHAIUSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@H](C(=O)OC)C[C@H]1c1ccccc1 ZINC001209432836 1036173190 /nfs/dbraw/zinc/17/31/90/1036173190.db2.gz KPKAMCMAQGISIL-OALUTQOASA-N 1 0 315.457 4.359 20 30 DIEDRO Cc1[nH+]c(N(CCC#N)Cc2ccc(Cl)cc2)cc2[nH]ccc21 ZINC001167140787 1036181752 /nfs/dbraw/zinc/18/17/52/1036181752.db2.gz BLRWQSKUFZPWJN-UHFFFAOYSA-N 1 0 324.815 4.445 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(C)(C(=O)N2CCCC2)CC1 ZINC001209439665 1036182474 /nfs/dbraw/zinc/18/24/74/1036182474.db2.gz VEOQYUULODGJFD-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO C=CCCCCCC[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001209440394 1036184496 /nfs/dbraw/zinc/18/44/96/1036184496.db2.gz JMMDGKHCGMIKCA-QGZVFWFLSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001209442324 1036190548 /nfs/dbraw/zinc/19/05/48/1036190548.db2.gz FRBOYXARDZXGFX-UHFFFAOYSA-N 1 0 307.400 4.292 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(N(C)C(=O)CC)CC1 ZINC001209446419 1036195581 /nfs/dbraw/zinc/19/55/81/1036195581.db2.gz YJXGXBWEKCDWLS-UHFFFAOYSA-N 1 0 308.510 4.236 20 30 DIEDRO CCC#C[C@@H](C)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC001167156881 1036223939 /nfs/dbraw/zinc/22/39/39/1036223939.db2.gz GFHBPCNGJWXYIV-OAHLLOKOSA-N 1 0 310.441 4.158 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000398158703 1036254034 /nfs/dbraw/zinc/25/40/34/1036254034.db2.gz JOWQTLJLGPUHOT-SWLSCSKDSA-N 1 0 301.352 4.073 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](CCC(C)C)C1CCCC1 ZINC001167233301 1036298649 /nfs/dbraw/zinc/29/86/49/1036298649.db2.gz HLHMVUBTPQZTEG-UHFFFAOYSA-N 1 0 300.446 4.358 20 30 DIEDRO CO[C@H](Cc1ccccc1)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001167247559 1036318647 /nfs/dbraw/zinc/31/86/47/1036318647.db2.gz BBJCKDUZQDGRGE-OAQYLSRUSA-N 1 0 322.452 4.026 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OCCC)cc2)cc1 ZINC000236829581 1036320995 /nfs/dbraw/zinc/32/09/95/1036320995.db2.gz WGGARLXVFJPUFH-UHFFFAOYSA-N 1 0 311.425 4.330 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)CCN1CCCc2ccccc21 ZINC001167273508 1036354034 /nfs/dbraw/zinc/35/40/34/1036354034.db2.gz JHXLONIIFFBQAX-UHFFFAOYSA-N 1 0 320.480 4.170 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](OC)c1ccc(F)cc1 ZINC001167273653 1036354236 /nfs/dbraw/zinc/35/42/36/1036354236.db2.gz OBBXSTLINBVIHA-HXUWFJFHSA-N 1 0 313.416 4.244 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000610271202 1036395361 /nfs/dbraw/zinc/39/53/61/1036395361.db2.gz KBMKUNYXWNGIDJ-TZIWHRDSSA-N 1 0 320.436 4.090 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000610271199 1036396338 /nfs/dbraw/zinc/39/63/38/1036396338.db2.gz KBMKUNYXWNGIDJ-CTNGQTDRSA-N 1 0 320.436 4.090 20 30 DIEDRO CC(C)CCOc1ccccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000176959950 1036521053 /nfs/dbraw/zinc/52/10/53/1036521053.db2.gz KCUAPZVTGKRWJZ-UHFFFAOYSA-N 1 0 314.454 4.334 20 30 DIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000177562004 1036565830 /nfs/dbraw/zinc/56/58/30/1036565830.db2.gz GKROYPNMSSUKOL-IBGZPJMESA-N 1 0 308.425 4.444 20 30 DIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000177562017 1036566666 /nfs/dbraw/zinc/56/66/66/1036566666.db2.gz GKROYPNMSSUKOL-LJQANCHMSA-N 1 0 308.425 4.444 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC001167307018 1036584835 /nfs/dbraw/zinc/58/48/35/1036584835.db2.gz OJBWIVMZMZDTQV-SFHVURJKSA-N 1 0 313.441 4.178 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001648839242 1036619592 /nfs/dbraw/zinc/61/95/92/1036619592.db2.gz LVXOEZKIDUSSFT-IEBWSBKVSA-N 1 0 322.452 4.495 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(C)c(Br)c2)cc1 ZINC001651099300 1036627381 /nfs/dbraw/zinc/62/73/81/1036627381.db2.gz HSOQIPPPHTZGQY-UHFFFAOYSA-N 1 0 314.226 4.029 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001648848652 1036629772 /nfs/dbraw/zinc/62/97/72/1036629772.db2.gz WPOZHRHKRGEFIU-RHSMWYFYSA-N 1 0 320.864 4.393 20 30 DIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000578919013 1036650364 /nfs/dbraw/zinc/65/03/64/1036650364.db2.gz RFHBOAXMKZLSNV-JKSUJKDBSA-N 1 0 320.436 4.338 20 30 DIEDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000610344759 1036838732 /nfs/dbraw/zinc/83/87/32/1036838732.db2.gz HHUFJKKKVSCELR-AWEZNQCLSA-N 1 0 323.396 4.441 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccc2cnccc2c1)C(C)C ZINC000683765257 1036859694 /nfs/dbraw/zinc/85/96/94/1036859694.db2.gz GYNTUBNACKDMHD-OAQYLSRUSA-N 1 0 323.484 4.023 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000175870481 1036869183 /nfs/dbraw/zinc/86/91/83/1036869183.db2.gz VAQWEXITFWJXRO-BMGDILEWSA-N 1 0 318.486 4.131 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1OC(F)F ZINC000177684530 1036880367 /nfs/dbraw/zinc/88/03/67/1036880367.db2.gz WCHYZQHTETYVGY-AWEZNQCLSA-N 1 0 322.380 4.462 20 30 DIEDRO Cc1c(C[NH2+]Cc2cc(C#N)cs2)oc2ccc(F)cc12 ZINC000177690716 1036883355 /nfs/dbraw/zinc/88/33/55/1036883355.db2.gz MNRGLSALRKVYHM-UHFFFAOYSA-N 1 0 300.358 4.103 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(Cl)cc3)CC2)c1 ZINC000177695402 1036909692 /nfs/dbraw/zinc/90/96/92/1036909692.db2.gz CPRLCLDUYIOEBO-UHFFFAOYSA-N 1 0 302.830 4.095 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000610370048 1036911661 /nfs/dbraw/zinc/91/16/61/1036911661.db2.gz MJIATUDLSBNZOL-UHFFFAOYSA-N 1 0 312.457 4.120 20 30 DIEDRO N#CCCC1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000580069757 1036933381 /nfs/dbraw/zinc/93/33/81/1036933381.db2.gz WBZIFXSODRRCMY-UHFFFAOYSA-N 1 0 306.837 4.125 20 30 DIEDRO N#Cc1csc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c1 ZINC000177707190 1036941324 /nfs/dbraw/zinc/94/13/24/1036941324.db2.gz SQAZGAISISFNHA-UHFFFAOYSA-N 1 0 315.829 4.087 20 30 DIEDRO C[C@@H](C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C(C)(C)C ZINC001167357899 1036967465 /nfs/dbraw/zinc/96/74/65/1036967465.db2.gz VJASWIBMSQNBHL-HNNXBMFYSA-N 1 0 300.446 4.084 20 30 DIEDRO C[C@@H]1C[C@H](Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379680254 1037067210 /nfs/dbraw/zinc/06/72/10/1037067210.db2.gz LODXPNXSHICLBW-OXQOHEQNSA-N 1 0 305.425 4.023 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000610432498 1037067988 /nfs/dbraw/zinc/06/79/88/1037067988.db2.gz MCZVRZWBAJYBHR-UHFFFAOYSA-N 1 0 306.384 4.377 20 30 DIEDRO CCCCCCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001167387813 1037091909 /nfs/dbraw/zinc/09/19/09/1037091909.db2.gz XMPVIQCCRNIYLP-GOSISDBHSA-N 1 0 302.462 4.084 20 30 DIEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC001167387356 1037092127 /nfs/dbraw/zinc/09/21/27/1037092127.db2.gz RMVROWJGSSDEGU-KRWDZBQOSA-N 1 0 324.472 4.397 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000579651928 1037147921 /nfs/dbraw/zinc/14/79/21/1037147921.db2.gz KKLXPLYEDJQOMN-KPZWWZAWSA-N 1 0 310.372 4.044 20 30 DIEDRO C[N@H+](Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000311173952 1037162470 /nfs/dbraw/zinc/16/24/70/1037162470.db2.gz VCKPDSPUUSVQEO-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO CCCCCCCC[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001167416076 1037177256 /nfs/dbraw/zinc/17/72/56/1037177256.db2.gz CJICFXYHMKAKBU-UHFFFAOYSA-N 1 0 323.912 4.213 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(Cl)c(Cl)c2C#N)c1 ZINC001211140223 1037178236 /nfs/dbraw/zinc/17/82/36/1037178236.db2.gz DIAFHYHSRCKICF-UHFFFAOYSA-N 1 0 306.196 4.328 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000092850408 1037180815 /nfs/dbraw/zinc/18/08/15/1037180815.db2.gz YKGZYMQUAPYICV-MRXNPFEDSA-N 1 0 322.305 4.481 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000557258726 1037210171 /nfs/dbraw/zinc/21/01/71/1037210171.db2.gz LNIQELAMFDZFMN-JTQLQIEISA-N 1 0 318.255 4.158 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000398108552 1037213922 /nfs/dbraw/zinc/21/39/22/1037213922.db2.gz LVBIZHQAGILKFJ-LLVKDONJSA-N 1 0 300.215 4.423 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275925948 1037231421 /nfs/dbraw/zinc/23/14/21/1037231421.db2.gz XMUJFSKTDLRXIP-KRWDZBQOSA-N 1 0 322.452 4.089 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(OC)cc1Br ZINC000398157460 1037241769 /nfs/dbraw/zinc/24/17/69/1037241769.db2.gz GTMSJWWFZYZFFG-GFCCVEGCSA-N 1 0 312.251 4.292 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001207136082 1037283489 /nfs/dbraw/zinc/28/34/89/1037283489.db2.gz RKYZHGKTLKRDGH-XJKSGUPXSA-N 1 0 315.379 4.463 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001167433962 1037293234 /nfs/dbraw/zinc/29/32/34/1037293234.db2.gz QBUNVPVNJAILAS-CRAIPNDOSA-N 1 0 311.375 4.194 20 30 DIEDRO C[N@H+](CCOc1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000064951996 1037312604 /nfs/dbraw/zinc/31/26/04/1037312604.db2.gz PYHQDPNZZHLDFP-UHFFFAOYSA-N 1 0 316.404 4.222 20 30 DIEDRO N#Cc1cccc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)c1 ZINC000580850261 1037330402 /nfs/dbraw/zinc/33/04/02/1037330402.db2.gz LOXVTRPTYSMVHA-UHFFFAOYSA-N 1 0 316.408 4.246 20 30 DIEDRO C=CCCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000684113890 1037365571 /nfs/dbraw/zinc/36/55/71/1037365571.db2.gz JUFBEURDOYHMHT-HOTGVXAUSA-N 1 0 324.262 4.225 20 30 DIEDRO C=CCCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000684113892 1037366501 /nfs/dbraw/zinc/36/65/01/1037366501.db2.gz JUFBEURDOYHMHT-HZPDHXFCSA-N 1 0 324.262 4.225 20 30 DIEDRO CC(C)(C)c1csc(CC[NH2+]C2CCC(C)(C#N)CC2)n1 ZINC000449128955 1037371831 /nfs/dbraw/zinc/37/18/31/1037371831.db2.gz TWZTUANTAXZMHN-UHFFFAOYSA-N 1 0 305.491 4.045 20 30 DIEDRO C=CCCC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000580991728 1037400014 /nfs/dbraw/zinc/40/00/14/1037400014.db2.gz ZSHCNZQPGNPARM-UHFFFAOYSA-N 1 0 309.335 4.151 20 30 DIEDRO C[C@H](c1ccc(C[NH+]2CCC(CC#N)CC2)cc1)C(F)(F)F ZINC000581052907 1037419097 /nfs/dbraw/zinc/41/90/97/1037419097.db2.gz MKJRVAGCKBYLNR-CYBMUJFWSA-N 1 0 310.363 4.478 20 30 DIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCOc1ccccc1C#N ZINC001167454431 1037529342 /nfs/dbraw/zinc/52/93/42/1037529342.db2.gz WCHWVBDGQQIPND-SFHVURJKSA-N 1 0 300.446 4.228 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000684205024 1037547458 /nfs/dbraw/zinc/54/74/58/1037547458.db2.gz KYQLTLVBJVGKDY-HNNXBMFYSA-N 1 0 312.251 4.083 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC([NH+]2CCC2)CC1 ZINC001167455348 1037551176 /nfs/dbraw/zinc/55/11/76/1037551176.db2.gz MYJCCZAVMWMYSF-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000684207558 1037558035 /nfs/dbraw/zinc/55/80/35/1037558035.db2.gz VOXDKONOTPUHRC-WOJBJXKFSA-N 1 0 317.473 4.292 20 30 DIEDRO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C ZINC001167464377 1037656107 /nfs/dbraw/zinc/65/61/07/1037656107.db2.gz KUPBRWNRUIGPQB-WOJBJXKFSA-N 1 0 320.436 4.275 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001167464483 1037656934 /nfs/dbraw/zinc/65/69/34/1037656934.db2.gz MQCGVBXOPQPTSD-PXNSSMCTSA-N 1 0 304.437 4.287 20 30 DIEDRO C#CCC1([NH2+]Cc2coc(-c3cccc(Cl)c3)n2)CCC1 ZINC000933302383 1037726669 /nfs/dbraw/zinc/72/66/69/1037726669.db2.gz FWHNHSVTPUJSNU-UHFFFAOYSA-N 1 0 300.789 4.031 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000477161714 1037816834 /nfs/dbraw/zinc/81/68/34/1037816834.db2.gz IHFJNPHKYYWSJN-SFHVURJKSA-N 1 0 312.438 4.226 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)CCCOc2cccc(C#N)c2)cc1 ZINC000477161573 1037817871 /nfs/dbraw/zinc/81/78/71/1037817871.db2.gz IXSCYDZIZRTJNA-MRXNPFEDSA-N 1 0 324.424 4.029 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132812 1037820112 /nfs/dbraw/zinc/82/01/12/1037820112.db2.gz VGGOQHJLYJSGFH-NHCUHLMSSA-N 1 0 320.436 4.158 20 30 DIEDRO CCCCCCC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000157364229 1037837566 /nfs/dbraw/zinc/83/75/66/1037837566.db2.gz BURQHFXAOLCHNJ-UHFFFAOYSA-N 1 0 318.461 4.013 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000477340247 1037902495 /nfs/dbraw/zinc/90/24/95/1037902495.db2.gz PXWVHFIJODWEEP-RTWAWAEBSA-N 1 0 304.437 4.449 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000477340245 1037903446 /nfs/dbraw/zinc/90/34/46/1037903446.db2.gz PXWVHFIJODWEEP-LEWJYISDSA-N 1 0 304.437 4.449 20 30 DIEDRO N#CCC1(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000341412162 1037998253 /nfs/dbraw/zinc/99/82/53/1037998253.db2.gz XLPCNKKTMUJPSD-UHFFFAOYSA-N 1 0 317.845 4.247 20 30 DIEDRO Cc1ncc([C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)n1 ZINC000602443206 1038006861 /nfs/dbraw/zinc/00/68/61/1038006861.db2.gz ATXSZKCNOLWYRD-MRXNPFEDSA-N 1 0 322.456 4.184 20 30 DIEDRO CC[N@H+]([C@@H](C)c1ccc(C#N)cc1)[C@@H](C)c1cnc(C)nc1C ZINC000602442950 1038008051 /nfs/dbraw/zinc/00/80/51/1038008051.db2.gz CYYDKXDDXFTMGB-GJZGRUSLSA-N 1 0 308.429 4.109 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(C(F)F)nc2)C2CC2)cc1 ZINC000602442106 1038008179 /nfs/dbraw/zinc/00/81/79/1038008179.db2.gz UYCFJMXMKPYVGH-UHFFFAOYSA-N 1 0 313.351 4.055 20 30 DIEDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602456051 1038008943 /nfs/dbraw/zinc/00/89/43/1038008943.db2.gz ZLVDRYWVGZSIIB-QAPCUYQASA-N 1 0 310.445 4.133 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)n1)[C@@H](C)c1cc2ccccc2o1 ZINC000602447247 1038009429 /nfs/dbraw/zinc/00/94/29/1038009429.db2.gz CGKGDWXSWOFSEY-AWEZNQCLSA-N 1 0 305.381 4.283 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000602482836 1038017530 /nfs/dbraw/zinc/01/75/30/1038017530.db2.gz GUYYDWNDLKSNPE-HUUCEWRRSA-N 1 0 317.502 4.141 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000602498800 1038021484 /nfs/dbraw/zinc/02/14/84/1038021484.db2.gz LCQJNOJBHGMBBR-DLBZAZTESA-N 1 0 319.518 4.051 20 30 DIEDRO CC(C)Oc1ccc(CC[C@H](C)[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602517646 1038023864 /nfs/dbraw/zinc/02/38/64/1038023864.db2.gz IDOISRHFZATELX-IVMQYODDSA-N 1 0 314.473 4.467 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000602504932 1038027966 /nfs/dbraw/zinc/02/79/66/1038027966.db2.gz NZYVAWRUVRIVMO-XIKARTHZSA-N 1 0 307.235 4.182 20 30 DIEDRO COc1ccc([C@H]([NH2+]C[C@H](C)CCC#N)c2ccccc2)cc1 ZINC000602506568 1038028291 /nfs/dbraw/zinc/02/82/91/1038028291.db2.gz ZLKUZNBOMSOFER-OXQOHEQNSA-N 1 0 308.425 4.314 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000602511871 1038030561 /nfs/dbraw/zinc/03/05/61/1038030561.db2.gz RXFYGWFEIZPOFO-YJBOKZPZSA-N 1 0 319.880 4.006 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000602512952 1038030704 /nfs/dbraw/zinc/03/07/04/1038030704.db2.gz YKUWGHSESMNWRU-DLBZAZTESA-N 1 0 323.440 4.251 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc2ccccc2c1 ZINC000602527241 1038035300 /nfs/dbraw/zinc/03/53/00/1038035300.db2.gz IWALQHGXDAGXRQ-QGZVFWFLSA-N 1 0 322.452 4.071 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000602561480 1038035846 /nfs/dbraw/zinc/03/58/46/1038035846.db2.gz QZBPSUGWSVTPSR-ILDUYXDCSA-N 1 0 317.380 4.285 20 30 DIEDRO COc1ccc(C[NH2+]C[C@H](C)CCC#N)cc1OC1CCCC1 ZINC000602534668 1038037348 /nfs/dbraw/zinc/03/73/48/1038037348.db2.gz ISCCDDNSEUCNIP-OAHLLOKOSA-N 1 0 316.445 4.046 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000602534391 1038038599 /nfs/dbraw/zinc/03/85/99/1038038599.db2.gz RPRZGDOFKMEFLX-SNVBAGLBSA-N 1 0 315.642 4.132 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000178177304 1038039232 /nfs/dbraw/zinc/03/92/32/1038039232.db2.gz MRASMZHKPSNVKF-KGLIPLIRSA-N 1 0 309.369 4.187 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)CCC#N ZINC000602568352 1038039526 /nfs/dbraw/zinc/03/95/26/1038039526.db2.gz KJVHOQJOMNBLAO-INIZCTEOSA-N 1 0 310.445 4.025 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602560660 1038040752 /nfs/dbraw/zinc/04/07/52/1038040752.db2.gz ZLEHYTIKDWKWJV-UUWFMWQGSA-N 1 0 311.816 4.094 20 30 DIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cccc(C#N)n1 ZINC000602574112 1038040800 /nfs/dbraw/zinc/04/08/00/1038040800.db2.gz WXIJWGLBMJKJJC-IBGZPJMESA-N 1 0 323.440 4.229 20 30 DIEDRO CC(C)c1nc([C@H]2CCCCCN2C[C@@H](C)CCC#N)no1 ZINC000602597333 1038044040 /nfs/dbraw/zinc/04/40/40/1038044040.db2.gz AWUSMRZQJBWQGL-LSDHHAIUSA-N 1 0 304.438 4.050 20 30 DIEDRO N#CC1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000602580822 1038046668 /nfs/dbraw/zinc/04/66/68/1038046668.db2.gz HYGMCNFCJDPKNK-ZUEPYMLJSA-N 1 0 304.821 4.226 20 30 DIEDRO COc1ccccc1[C@H]([NH2+]C1CCC(C#N)CC1)c1ccco1 ZINC000602587517 1038047676 /nfs/dbraw/zinc/04/76/76/1038047676.db2.gz IQWJKRDXQUDLOS-ZOJXTTQQSA-N 1 0 310.397 4.050 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000602578018 1038048068 /nfs/dbraw/zinc/04/80/68/1038048068.db2.gz XGPPLCGSRJVMNQ-RISCZKNCSA-N 1 0 302.315 4.349 20 30 DIEDRO Cn1cc(CC[NH2+]C2CCC(C#N)CC2)c2ccc(Cl)cc21 ZINC000602627594 1038049805 /nfs/dbraw/zinc/04/98/05/1038049805.db2.gz WEAWLFNINAFGOI-UHFFFAOYSA-N 1 0 315.848 4.046 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CC1(F)F ZINC000602605581 1038052101 /nfs/dbraw/zinc/05/21/01/1038052101.db2.gz SHDRAMJBVYAHCB-FZKQIMNGSA-N 1 0 312.363 4.359 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000602651193 1038056695 /nfs/dbraw/zinc/05/66/95/1038056695.db2.gz RDRODDOKINNSKK-KBXCAEBGSA-N 1 0 320.864 4.337 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000602671024 1038057862 /nfs/dbraw/zinc/05/78/62/1038057862.db2.gz HGFLHJWQENXVNC-MNOVXSKESA-N 1 0 313.214 4.179 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000602634270 1038058684 /nfs/dbraw/zinc/05/86/84/1038058684.db2.gz MBBLBPCXENOCPM-INIZCTEOSA-N 1 0 312.457 4.143 20 30 DIEDRO CCC[N@H+](C[C@H](C)CCC#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000602654466 1038061556 /nfs/dbraw/zinc/06/15/56/1038061556.db2.gz UOXHFQQVKANESL-SJORKVTESA-N 1 0 315.461 4.056 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000602653704 1038062701 /nfs/dbraw/zinc/06/27/01/1038062701.db2.gz ODZHLIJRJDEZLB-GFCCVEGCSA-N 1 0 319.861 4.493 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000602661870 1038065667 /nfs/dbraw/zinc/06/56/67/1038065667.db2.gz KBGBQVBGKJZJQH-CQSZACIVSA-N 1 0 313.420 4.426 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000602692315 1038066551 /nfs/dbraw/zinc/06/65/51/1038066551.db2.gz XRTDYRKYRRXCCR-JTQLQIEISA-N 1 0 315.642 4.132 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602693427 1038067621 /nfs/dbraw/zinc/06/76/21/1038067621.db2.gz QUGZSLWEQAOKHS-MJGOQNOKSA-N 1 0 319.452 4.078 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000602690355 1038067706 /nfs/dbraw/zinc/06/77/06/1038067706.db2.gz MMHJWBDLMRTHNS-ZDUSSCGKSA-N 1 0 310.363 4.120 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C(F)F)nc1 ZINC000602691395 1038068606 /nfs/dbraw/zinc/06/86/06/1038068606.db2.gz FQTVQDZZDBLZGL-GFCCVEGCSA-N 1 0 301.340 4.084 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000602703330 1038073159 /nfs/dbraw/zinc/07/31/59/1038073159.db2.gz YUNPAZZPOPPEIV-SNVBAGLBSA-N 1 0 315.642 4.132 20 30 DIEDRO C=CCCC1(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)CCCC1 ZINC000602710828 1038075692 /nfs/dbraw/zinc/07/56/92/1038075692.db2.gz YLLFLDDIVYXIFL-KRWDZBQOSA-N 1 0 304.478 4.202 20 30 DIEDRO Cc1cc([C@@H]2CC[N@@H+](C[C@H](C)CCC#N)C2)c(O)cc1Cl ZINC000602714057 1038076538 /nfs/dbraw/zinc/07/65/38/1038076538.db2.gz SJELFNRZHNDBBA-TZMCWYRMSA-N 1 0 306.837 4.083 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000602740494 1038082176 /nfs/dbraw/zinc/08/21/76/1038082176.db2.gz JRHPPSFVXSBFPO-JTQLQIEISA-N 1 0 304.743 4.388 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857944 1038097827 /nfs/dbraw/zinc/09/78/27/1038097827.db2.gz YVTQCKQWMCOGMA-SFHVURJKSA-N 1 0 319.452 4.262 20 30 DIEDRO CC1=Nc2ccccc2C12CC[NH+](CCCC(C)(C)C#N)CC2 ZINC000602862129 1038098783 /nfs/dbraw/zinc/09/87/83/1038098783.db2.gz KNJAZBIVRFVDHR-UHFFFAOYSA-N 1 0 309.457 4.456 20 30 DIEDRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909720 1038106339 /nfs/dbraw/zinc/10/63/39/1038106339.db2.gz MHJIBXPRFIAVQD-AWEZNQCLSA-N 1 0 309.388 4.033 20 30 DIEDRO Cc1ccccc1[C@@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911423 1038107429 /nfs/dbraw/zinc/10/74/29/1038107429.db2.gz ZVVTUYNAYODGJS-MRXNPFEDSA-N 1 0 305.425 4.202 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000175978405 1038109434 /nfs/dbraw/zinc/10/94/34/1038109434.db2.gz XCYQOOYWLDULBM-GTNSWQLSSA-N 1 0 300.402 4.172 20 30 DIEDRO CC[C@@H](CC(F)F)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602901956 1038110437 /nfs/dbraw/zinc/11/04/37/1038110437.db2.gz SLUAYDUHYJPAKO-AWEZNQCLSA-N 1 0 321.415 4.116 20 30 DIEDRO CC[C@@](C)([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000602923400 1038113750 /nfs/dbraw/zinc/11/37/50/1038113750.db2.gz ILDVCXGZQZKYCS-GOSISDBHSA-N 1 0 318.436 4.141 20 30 DIEDRO CCC1(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CCC1 ZINC000084056793 1038121362 /nfs/dbraw/zinc/12/13/62/1038121362.db2.gz TVKITKSOAPECLL-UHFFFAOYSA-N 1 0 316.445 4.048 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598602247 1038126428 /nfs/dbraw/zinc/12/64/28/1038126428.db2.gz MGONKEYWVXTJAR-SJORKVTESA-N 1 0 302.462 4.054 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000598602620 1038126451 /nfs/dbraw/zinc/12/64/51/1038126451.db2.gz QBMUZBVPLQFRLY-DLBZAZTESA-N 1 0 320.452 4.193 20 30 DIEDRO CC(C)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000060958410 1038128875 /nfs/dbraw/zinc/12/88/75/1038128875.db2.gz PEPXFLCLBXKJSS-UHFFFAOYSA-N 1 0 308.425 4.273 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](C[C@H](O)CC(C)(C)C#N)CC1CCC1 ZINC000598592551 1038129179 /nfs/dbraw/zinc/12/91/79/1038129179.db2.gz MBMNWAVXAYVQJR-VQIMIIECSA-N 1 0 314.473 4.150 20 30 DIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)c1C ZINC000598596844 1038129380 /nfs/dbraw/zinc/12/93/80/1038129380.db2.gz UMCNKZAMQRJMFM-MJGOQNOKSA-N 1 0 314.473 4.131 20 30 DIEDRO CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](CC)c1ccccc1 ZINC000598587667 1038130125 /nfs/dbraw/zinc/13/01/25/1038130125.db2.gz USNLAQIUVKUUDD-ROUUACIJSA-N 1 0 302.462 4.150 20 30 DIEDRO CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000598587280 1038130203 /nfs/dbraw/zinc/13/02/03/1038130203.db2.gz NXUKULJVFXHBHP-GOEBONIOSA-N 1 0 314.429 4.116 20 30 DIEDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598598399 1038132247 /nfs/dbraw/zinc/13/22/47/1038132247.db2.gz FBOJXGZYINKQAT-RTBURBONSA-N 1 0 314.473 4.248 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000598619143 1038134783 /nfs/dbraw/zinc/13/47/83/1038134783.db2.gz BLLPENVCLDJMFO-SJORKVTESA-N 1 0 320.864 4.168 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3CCCC3)c2)c1 ZINC000060974062 1038135152 /nfs/dbraw/zinc/13/51/52/1038135152.db2.gz WXHXJIZLGPRGRN-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO N#CCCC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000341577563 1038144531 /nfs/dbraw/zinc/14/45/31/1038144531.db2.gz VVTJYOAGSFXFSX-HNNXBMFYSA-N 1 0 307.235 4.184 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000598678008 1038150248 /nfs/dbraw/zinc/15/02/48/1038150248.db2.gz SIPNXZPGZZLDQV-GTPINHCMSA-N 1 0 304.384 4.025 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CCC2 ZINC000598727462 1038161514 /nfs/dbraw/zinc/16/15/14/1038161514.db2.gz XDDIESVLZKTWBH-PKOBYXMFSA-N 1 0 314.473 4.078 20 30 DIEDRO N#CC1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000061040399 1038176236 /nfs/dbraw/zinc/17/62/36/1038176236.db2.gz LZGCKNRYIGTCSB-UHFFFAOYSA-N 1 0 320.436 4.028 20 30 DIEDRO N#CC1(CC[N@@H+]2CC[C@@H](COc3ccccc3)C2)CCCCC1 ZINC001168414249 1038197490 /nfs/dbraw/zinc/19/74/90/1038197490.db2.gz OCCCTXNKOCKCSH-GOSISDBHSA-N 1 0 312.457 4.251 20 30 DIEDRO Cc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000603427182 1038203943 /nfs/dbraw/zinc/20/39/43/1038203943.db2.gz DZJFLCXQEAOZNF-MBNYWOFBSA-N 1 0 307.235 4.100 20 30 DIEDRO Cc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000603427184 1038205851 /nfs/dbraw/zinc/20/58/51/1038205851.db2.gz DZJFLCXQEAOZNF-SGMGOOAPSA-N 1 0 307.235 4.100 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000598975440 1038208050 /nfs/dbraw/zinc/20/80/50/1038208050.db2.gz OHUQYJIEDPKHLY-AWEZNQCLSA-N 1 0 322.355 4.416 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H](c3ccccn3)C3CCC3)cc2)CC1 ZINC000598993822 1038212189 /nfs/dbraw/zinc/21/21/89/1038212189.db2.gz QHUAQECGYORTJS-HXUWFJFHSA-N 1 0 317.436 4.268 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)c1cc(F)c(Br)cc1F ZINC000599026670 1038217212 /nfs/dbraw/zinc/21/72/12/1038217212.db2.gz KPDZYYGQXICCLF-SECBINFHSA-N 1 0 317.177 4.072 20 30 DIEDRO CC(C)(C[NH2+]Cc1nc(C#N)cs1)c1ccc2ccccc2c1 ZINC000599014624 1038217912 /nfs/dbraw/zinc/21/79/12/1038217912.db2.gz SPCQPVNAJGDNCF-UHFFFAOYSA-N 1 0 321.449 4.235 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599068192 1038230474 /nfs/dbraw/zinc/23/04/74/1038230474.db2.gz LULYMDLUUZOMOP-FPOVZHCZSA-N 1 0 317.436 4.462 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2cccnc21 ZINC000341696216 1038230674 /nfs/dbraw/zinc/23/06/74/1038230674.db2.gz LSZNOKBDHPGPOA-FQEVSTJZSA-N 1 0 313.404 4.274 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)nc1 ZINC000599071887 1038232106 /nfs/dbraw/zinc/23/21/06/1038232106.db2.gz VFGKQSODGJQMHK-CQSZACIVSA-N 1 0 311.404 4.029 20 30 DIEDRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000341706812 1038237424 /nfs/dbraw/zinc/23/74/24/1038237424.db2.gz IEWLIKWLVDTSEG-LIRRHRJNSA-N 1 0 308.429 4.064 20 30 DIEDRO N#Cc1c(Cl)cccc1Nc1cc(Cl)c2nccn2c1 ZINC001216126633 1038237458 /nfs/dbraw/zinc/23/74/58/1038237458.db2.gz BMNVYLBRKPUKED-UHFFFAOYSA-N 1 0 303.152 4.256 20 30 DIEDRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000341706810 1038237742 /nfs/dbraw/zinc/23/77/42/1038237742.db2.gz IEWLIKWLVDTSEG-IFXJQAMLSA-N 1 0 308.429 4.064 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccco1 ZINC000796679094 1038238848 /nfs/dbraw/zinc/23/88/48/1038238848.db2.gz MTMHWXPIBKZMIO-HZPDHXFCSA-N 1 0 305.805 4.264 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC2(CCOCC2)CC1 ZINC000341705920 1038239328 /nfs/dbraw/zinc/23/93/28/1038239328.db2.gz OVUXZKWROXAHTB-FQEVSTJZSA-N 1 0 324.468 4.265 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000593688909 1038248672 /nfs/dbraw/zinc/24/86/72/1038248672.db2.gz XRQHNLFZFLXBQE-UHFFFAOYSA-N 1 0 322.355 4.417 20 30 DIEDRO CCCC(CCC)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593704159 1038257510 /nfs/dbraw/zinc/25/75/10/1038257510.db2.gz ZAVVJUWUDAACMO-UHFFFAOYSA-N 1 0 313.489 4.081 20 30 DIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCCC#N)cc1 ZINC000170915074 1038262929 /nfs/dbraw/zinc/26/29/29/1038262929.db2.gz AKFIPLJIFQOWCJ-UHFFFAOYSA-N 1 0 320.440 4.247 20 30 DIEDRO N#CC1(C[C@H](O)C[N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000599436859 1038284061 /nfs/dbraw/zinc/28/40/61/1038284061.db2.gz AVNZLKGWZOVQFB-OALUTQOASA-N 1 0 324.468 4.049 20 30 DIEDRO C=C(C)COc1cc(C[N@H+](C)CCC(F)(F)F)ccc1OC ZINC000092479923 1038288926 /nfs/dbraw/zinc/28/89/26/1038288926.db2.gz YQUUNFNAEOHRAL-UHFFFAOYSA-N 1 0 317.351 4.034 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)nc1 ZINC000091068127 1038301061 /nfs/dbraw/zinc/30/10/61/1038301061.db2.gz GXROOCPEZYXVRM-UHFFFAOYSA-N 1 0 313.404 4.219 20 30 DIEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000603856938 1038301755 /nfs/dbraw/zinc/30/17/55/1038301755.db2.gz GIIOHAWUWIHPIU-HXUWFJFHSA-N 1 0 306.409 4.083 20 30 DIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ccc(C#N)cc2)C1 ZINC000603859338 1038305774 /nfs/dbraw/zinc/30/57/74/1038305774.db2.gz CUAGNBUEDSZWGD-KRWDZBQOSA-N 1 0 319.452 4.402 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000561783125 1038307293 /nfs/dbraw/zinc/30/72/93/1038307293.db2.gz BYKRHGSDUNYIFV-IBGZPJMESA-N 1 0 324.424 4.159 20 30 DIEDRO CC1(C)CCC(C)(C)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599539097 1038311590 /nfs/dbraw/zinc/31/15/90/1038311590.db2.gz WKWBVLKCZAFKDE-UHFFFAOYSA-N 1 0 324.428 4.009 20 30 DIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000603895505 1038315604 /nfs/dbraw/zinc/31/56/04/1038315604.db2.gz IGYWGHNXGXRUNA-IBGZPJMESA-N 1 0 308.381 4.270 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CCC2(C#N)CCCCC2)c(OC)c1 ZINC000599595888 1038317277 /nfs/dbraw/zinc/31/72/77/1038317277.db2.gz JHBJJEPZBCCYEA-HNNXBMFYSA-N 1 0 316.445 4.219 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(C#N)c(F)c1 ZINC000276995534 1038348629 /nfs/dbraw/zinc/34/86/29/1038348629.db2.gz YKALIMDPZRNBJJ-DIFFPNOSSA-N 1 0 314.335 4.011 20 30 DIEDRO C=C(C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000610805471 1038352534 /nfs/dbraw/zinc/35/25/34/1038352534.db2.gz CISIGLNMZQKVFO-INIZCTEOSA-N 1 0 310.397 4.219 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000610812541 1038359086 /nfs/dbraw/zinc/35/90/86/1038359086.db2.gz KHNYDQYQLVGRNC-MJGOQNOKSA-N 1 0 312.363 4.262 20 30 DIEDRO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCC1 ZINC000341975699 1038360877 /nfs/dbraw/zinc/36/08/77/1038360877.db2.gz JVJXMDPBPBSQHG-UHFFFAOYSA-N 1 0 323.440 4.002 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1N(C)C ZINC000610830544 1038371769 /nfs/dbraw/zinc/37/17/69/1038371769.db2.gz ZWCWUCDMLUXYPX-UONOGXRCSA-N 1 0 311.404 4.175 20 30 DIEDRO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000610829795 1038372111 /nfs/dbraw/zinc/37/21/11/1038372111.db2.gz LKXALVCKBAOKCO-SWLSCSKDSA-N 1 0 311.454 4.305 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000610947098 1038406534 /nfs/dbraw/zinc/40/65/34/1038406534.db2.gz NOXQBDWEQBSGOY-GXTWGEPZSA-N 1 0 314.326 4.156 20 30 DIEDRO C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000604419144 1038413453 /nfs/dbraw/zinc/41/34/53/1038413453.db2.gz SVDCDNSINRMDDV-MRXNPFEDSA-N 1 0 320.436 4.273 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000604419110 1038413650 /nfs/dbraw/zinc/41/36/50/1038413650.db2.gz JWRMCGRWYISKNT-UHFFFAOYSA-N 1 0 314.816 4.079 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCOc2ccc(Cl)cc2)cc1 ZINC000604473770 1038416560 /nfs/dbraw/zinc/41/65/60/1038416560.db2.gz BMBVWSDFWIKDKV-UHFFFAOYSA-N 1 0 314.816 4.160 20 30 DIEDRO Cc1ccc(CCC2CC[NH+](Cc3ccnc(C#N)c3)CC2)cc1 ZINC000610991411 1038419383 /nfs/dbraw/zinc/41/93/83/1038419383.db2.gz CGYPIOPTCMIUNO-UHFFFAOYSA-N 1 0 319.452 4.107 20 30 DIEDRO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610993532 1038423263 /nfs/dbraw/zinc/42/32/63/1038423263.db2.gz WLHNYZVPYIGTAD-OXQOHEQNSA-N 1 0 305.425 4.235 20 30 DIEDRO N#Cc1cc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)ccn1 ZINC000610992362 1038424373 /nfs/dbraw/zinc/42/43/73/1038424373.db2.gz XPMVOZNAVULKMC-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO COCCCC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000926329336 1038454698 /nfs/dbraw/zinc/45/46/98/1038454698.db2.gz CZESYJXAEAUWBV-WMZOPIPTSA-N 1 0 302.462 4.462 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(Cl)s1 ZINC000611560055 1038460490 /nfs/dbraw/zinc/46/04/90/1038460490.db2.gz IZWMHVQYGXWEAV-UHFFFAOYSA-N 1 0 322.886 4.296 20 30 DIEDRO CC#CCC[N@@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000156645157 1038464141 /nfs/dbraw/zinc/46/41/41/1038464141.db2.gz QXJDNIXGFLPYSK-UHFFFAOYSA-N 1 0 317.820 4.015 20 30 DIEDRO Cc1ccc(CSCC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000538397937 1038469009 /nfs/dbraw/zinc/46/90/09/1038469009.db2.gz GBFHVECPKWKOKY-INIZCTEOSA-N 1 0 310.466 4.451 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC001167505827 1038495288 /nfs/dbraw/zinc/49/52/88/1038495288.db2.gz WCJJNRQJDWDDMB-LIRRHRJNSA-N 1 0 324.399 4.289 20 30 DIEDRO CCC[C@@](C)([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000934180536 1038500055 /nfs/dbraw/zinc/50/00/55/1038500055.db2.gz RVOGWCWFUYODKE-LJQANCHMSA-N 1 0 314.473 4.392 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)CCC#N)ccc1OC ZINC000342285930 1038518000 /nfs/dbraw/zinc/51/80/00/1038518000.db2.gz JQFQGDKZKJAUIL-UHFFFAOYSA-N 1 0 316.445 4.070 20 30 DIEDRO COc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1OCC(C)C ZINC000342310268 1038526331 /nfs/dbraw/zinc/52/63/31/1038526331.db2.gz UGYLDMNPHKKCNF-UHFFFAOYSA-N 1 0 318.461 4.150 20 30 DIEDRO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000593973907 1038599798 /nfs/dbraw/zinc/59/97/98/1038599798.db2.gz XEOIBPITLZKRJF-ACJLOTCBSA-N 1 0 313.832 4.484 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)cc1)CCC2 ZINC000152569738 1038677331 /nfs/dbraw/zinc/67/73/31/1038677331.db2.gz WUKODZKFGCCCRY-INIZCTEOSA-N 1 0 311.454 4.087 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000563367892 1038680010 /nfs/dbraw/zinc/68/00/10/1038680010.db2.gz QNVAJOJADVBIGW-UKRRQHHQSA-N 1 0 307.235 4.108 20 30 DIEDRO C=CC[N@@H+](CCCOc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063300577 1038692465 /nfs/dbraw/zinc/69/24/65/1038692465.db2.gz JBVIFKOJLDWKRF-UHFFFAOYSA-N 1 0 324.399 4.154 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cnn(CC2CCC2)c1 ZINC000934559335 1038731673 /nfs/dbraw/zinc/73/16/73/1038731673.db2.gz LWKBJWZHPPKXHH-OAHLLOKOSA-N 1 0 302.466 4.054 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]CCCOc1cccc(C#N)c1)C(C)C ZINC000128045695 1038749545 /nfs/dbraw/zinc/74/95/45/1038749545.db2.gz NDSSPKVQSMVYTO-LJQANCHMSA-N 1 0 323.440 4.018 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1cc(C)cc(C[NH+](C)C)c1)c1ccccc1 ZINC000533967295 1038760236 /nfs/dbraw/zinc/76/02/36/1038760236.db2.gz LNFUVNPYBJCABL-SFHVURJKSA-N 1 0 322.452 4.355 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000657528436 1038762763 /nfs/dbraw/zinc/76/27/63/1038762763.db2.gz ANKRWUJJAPHOQU-MOPGFXCFSA-N 1 0 309.457 4.156 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC(C2CC2)C2CC2)ccc1OC ZINC000608067340 1038764173 /nfs/dbraw/zinc/76/41/73/1038764173.db2.gz XVKZSFYPSDUMLT-UHFFFAOYSA-N 1 0 315.457 4.176 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000657529244 1038764423 /nfs/dbraw/zinc/76/44/23/1038764423.db2.gz ADWRREQGIJYIKZ-WMLDXEAASA-N 1 0 313.470 4.430 20 30 DIEDRO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCCC2(F)F)C2CC2)cc1 ZINC001168423738 1038764986 /nfs/dbraw/zinc/76/49/86/1038764986.db2.gz PUGLVZPUDJWSII-INIZCTEOSA-N 1 0 304.384 4.348 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001207322071 1038772509 /nfs/dbraw/zinc/77/25/09/1038772509.db2.gz HYYZNQJSMNWIQL-HNNXBMFYSA-N 1 0 321.262 4.007 20 30 DIEDRO CC(C)[N@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000063751003 1038841664 /nfs/dbraw/zinc/84/16/64/1038841664.db2.gz YUEHWOBAIQATAK-UHFFFAOYSA-N 1 0 305.381 4.110 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccccc2NC(C)=O)CCCC1 ZINC000657567699 1038847715 /nfs/dbraw/zinc/84/77/15/1038847715.db2.gz VNAUBIJQWZWPMU-UHFFFAOYSA-N 1 0 300.446 4.261 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC000657633460 1038929659 /nfs/dbraw/zinc/92/96/59/1038929659.db2.gz QDGLFHZBVQUAEY-UHFFFAOYSA-N 1 0 317.326 4.059 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)ccc1OC ZINC000174386670 1038935573 /nfs/dbraw/zinc/93/55/73/1038935573.db2.gz PARNWYAEJFKXAZ-USXIJHARSA-N 1 0 316.445 4.044 20 30 DIEDRO Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1C#N ZINC001167622139 1038953026 /nfs/dbraw/zinc/95/30/26/1038953026.db2.gz VKKXERVUCRIVCF-XLIONFOSSA-N 1 0 304.437 4.320 20 30 DIEDRO C#CCCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000174613144 1038970362 /nfs/dbraw/zinc/97/03/62/1038970362.db2.gz UDHSHRJULRXDQR-UHFFFAOYSA-N 1 0 324.371 4.332 20 30 DIEDRO CC[NH+](CC)Cc1cc(NCc2ccccc2C#N)ccc1OC ZINC001167637389 1039031479 /nfs/dbraw/zinc/03/14/79/1039031479.db2.gz WBTQJARZWVPWOF-UHFFFAOYSA-N 1 0 323.440 4.021 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(OC)c(OCC)c(OC)c2)CCCC1 ZINC000657702097 1039036336 /nfs/dbraw/zinc/03/63/36/1039036336.db2.gz GOQSYZILJPLAIK-UHFFFAOYSA-N 1 0 319.445 4.081 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C3CCC(C(F)F)CC3)CCC2)cc1 ZINC000594517815 1039067998 /nfs/dbraw/zinc/06/79/98/1039067998.db2.gz MQEQLRMXTCIBCZ-UHFFFAOYSA-N 1 0 304.384 4.351 20 30 DIEDRO COc1c(C)cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1C ZINC000442690068 1039122848 /nfs/dbraw/zinc/12/28/48/1039122848.db2.gz VDZWNEGFIUJWCD-INIZCTEOSA-N 1 0 308.425 4.377 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCCCCn1cccn1)c1ccc(F)c(F)c1 ZINC000187776989 1039191733 /nfs/dbraw/zinc/19/17/33/1039191733.db2.gz SCPKHEWAIDONPQ-GOSISDBHSA-N 1 0 319.399 4.239 20 30 DIEDRO C=CC[N@@H+](CCc1c(C)noc1C)Cc1ccc(Cl)s1 ZINC000535978018 1039239494 /nfs/dbraw/zinc/23/94/94/1039239494.db2.gz MCCFGBCXILEWIG-UHFFFAOYSA-N 1 0 310.850 4.237 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000278170861 1039242700 /nfs/dbraw/zinc/24/27/00/1039242700.db2.gz CKLXKOWJTMFANK-KDOFPFPSSA-N 1 0 322.408 4.131 20 30 DIEDRO CC[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Oc1ccccc1F ZINC000539495134 1039267708 /nfs/dbraw/zinc/26/77/08/1039267708.db2.gz FMCUWJNBXOKGFO-WMLDXEAASA-N 1 0 312.388 4.206 20 30 DIEDRO CC[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Oc1ccccc1F ZINC000539495132 1039268960 /nfs/dbraw/zinc/26/89/60/1039268960.db2.gz FMCUWJNBXOKGFO-PBHICJAKSA-N 1 0 312.388 4.206 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Oc1ccccc1Cl ZINC000539506481 1039279657 /nfs/dbraw/zinc/27/96/57/1039279657.db2.gz IRKNYMDRPIVRDH-KGLIPLIRSA-N 1 0 314.816 4.330 20 30 DIEDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000539607588 1039298542 /nfs/dbraw/zinc/29/85/42/1039298542.db2.gz SMWBVKFFGSKIAZ-JLTOFOAXSA-N 1 0 308.400 4.369 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1F ZINC000539602436 1039298984 /nfs/dbraw/zinc/29/89/84/1039298984.db2.gz IZBOAPJBEJNITE-NWDGAFQWSA-N 1 0 316.351 4.257 20 30 DIEDRO C=CC1CC[NH+](Cc2cc(Cl)c(OC)c(OCC)c2)CC1 ZINC000539828752 1039356538 /nfs/dbraw/zinc/35/65/38/1039356538.db2.gz HGBNWBOGTUDGCB-UHFFFAOYSA-N 1 0 309.837 4.145 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000539830850 1039360689 /nfs/dbraw/zinc/36/06/89/1039360689.db2.gz ZBEPNPLTXFZMBR-MRXNPFEDSA-N 1 0 311.425 4.020 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1coc2ccccc12 ZINC000340426176 1039371373 /nfs/dbraw/zinc/37/13/73/1039371373.db2.gz MJSDWVJACAXUCT-IBGZPJMESA-N 1 0 302.377 4.472 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157101643 1039399707 /nfs/dbraw/zinc/39/97/07/1039399707.db2.gz QMSNFVQEHKLRRM-OAHLLOKOSA-N 1 0 306.837 4.125 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000462848649 1039404921 /nfs/dbraw/zinc/40/49/21/1039404921.db2.gz UVWWRWHIHCBZSN-NSHDSACASA-N 1 0 304.315 4.486 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000278355001 1039410818 /nfs/dbraw/zinc/41/08/18/1039410818.db2.gz ZRXQVPSAIMQION-XOBRGWDASA-N 1 0 321.424 4.319 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000278361087 1039413722 /nfs/dbraw/zinc/41/37/22/1039413722.db2.gz BKDCDKANUVPJCV-MSOLQXFVSA-N 1 0 310.372 4.262 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)C)c1ccc(C#N)cc1 ZINC000278361142 1039413803 /nfs/dbraw/zinc/41/38/03/1039413803.db2.gz BLCCTOPSDHPOPD-FHWLQOOXSA-N 1 0 300.446 4.050 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2cc(C#N)cs2)C2CC2)ccc1F ZINC000536098869 1039417008 /nfs/dbraw/zinc/41/70/08/1039417008.db2.gz KOISCBIVQJBXBU-KRWDZBQOSA-N 1 0 300.402 4.308 20 30 DIEDRO CCCNc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000278367349 1039420327 /nfs/dbraw/zinc/42/03/27/1039420327.db2.gz BWDUHVMVJVMLKF-CQSZACIVSA-N 1 0 311.404 4.370 20 30 DIEDRO COc1ccc(C[N@H+](C)C2CCCCC2)cc1OCCCC#N ZINC000157508148 1039438374 /nfs/dbraw/zinc/43/83/74/1039438374.db2.gz SRSCJQVQTDUEMF-UHFFFAOYSA-N 1 0 316.445 4.142 20 30 DIEDRO C=C(C)CC[NH2+]C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000685198495 1039451456 /nfs/dbraw/zinc/45/14/56/1039451456.db2.gz AKKKKYISPQLJCV-UHFFFAOYSA-N 1 0 311.425 4.349 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000540297633 1039470111 /nfs/dbraw/zinc/47/01/11/1039470111.db2.gz RFKJGFGYBOXIKU-HNNXBMFYSA-N 1 0 318.436 4.221 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1F ZINC000540342770 1039480495 /nfs/dbraw/zinc/48/04/95/1039480495.db2.gz GGRVTBKUCWBARZ-ZDUSSCGKSA-N 1 0 317.791 4.190 20 30 DIEDRO C=CCCC[C@@H](C)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000540539728 1039515348 /nfs/dbraw/zinc/51/53/48/1039515348.db2.gz QHEUUWPLCMFSIK-MRXNPFEDSA-N 1 0 314.473 4.146 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(C#N)cc1 ZINC000278524727 1039522229 /nfs/dbraw/zinc/52/22/29/1039522229.db2.gz SRYBYFAYNZRFBV-IBGZPJMESA-N 1 0 305.425 4.073 20 30 DIEDRO CCC[C@@H](CC)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000540606891 1039527258 /nfs/dbraw/zinc/52/72/58/1039527258.db2.gz HZCFZSNXNXOONO-WWDZGPRUSA-N 1 0 300.446 4.417 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000540608471 1039527473 /nfs/dbraw/zinc/52/74/73/1039527473.db2.gz JOMZGCOCAXSSCC-KSMMKXTCSA-N 1 0 312.388 4.124 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCOc2ccc3ccccc3c2)s1 ZINC000540625552 1039533385 /nfs/dbraw/zinc/53/33/85/1039533385.db2.gz QWLXXWVNYZFZJW-UHFFFAOYSA-N 1 0 322.433 4.332 20 30 DIEDRO CCN(CCC(C)(C)C#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000540667673 1039540118 /nfs/dbraw/zinc/54/01/18/1039540118.db2.gz HCGZRCOLDDKVDP-HKUYNNGSSA-N 1 0 313.489 4.084 20 30 DIEDRO CCN(CCC(C)(C)C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000540667674 1039540306 /nfs/dbraw/zinc/54/03/06/1039540306.db2.gz HCGZRCOLDDKVDP-IEBWSBKVSA-N 1 0 313.489 4.084 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540708594 1039544672 /nfs/dbraw/zinc/54/46/72/1039544672.db2.gz OYQVTAMGLLTYJT-OAUYIBNBSA-N 1 0 306.450 4.412 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000657817064 1039553853 /nfs/dbraw/zinc/55/38/53/1039553853.db2.gz MKSOUEOKJCIOHW-QZTJIDSGSA-N 1 0 314.473 4.275 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000540968991 1039599166 /nfs/dbraw/zinc/59/91/66/1039599166.db2.gz HNQTZXYXDVOREQ-ZDUSSCGKSA-N 1 0 305.443 4.401 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541085262 1039617793 /nfs/dbraw/zinc/61/77/93/1039617793.db2.gz IATPFQBNPDUWGC-IIBYNOLFSA-N 1 0 320.436 4.203 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(OC(F)F)c1 ZINC000090117607 1039637140 /nfs/dbraw/zinc/63/71/40/1039637140.db2.gz PARBMOQADLONJO-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO CSCCCCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000753730996 1039647028 /nfs/dbraw/zinc/64/70/28/1039647028.db2.gz ACVQEMVNOPEXCK-GOSISDBHSA-N 1 0 302.487 4.449 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2ccc(CC#N)cc2)C2CC2)ccc1F ZINC000541326140 1039665489 /nfs/dbraw/zinc/66/54/89/1039665489.db2.gz QHJBCWBTIVSBFB-FQEVSTJZSA-N 1 0 308.400 4.441 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000541564895 1039699308 /nfs/dbraw/zinc/69/93/08/1039699308.db2.gz IKJLOIISBCXFJR-ACJLOTCBSA-N 1 0 314.385 4.394 20 30 DIEDRO CCOc1ccccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541553598 1039703315 /nfs/dbraw/zinc/70/33/15/1039703315.db2.gz MCBIOGQDJCBWFU-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C#N)s1)CC3 ZINC000541846650 1039747708 /nfs/dbraw/zinc/74/77/08/1039747708.db2.gz FVYOLMHCXFZNAM-CYBMUJFWSA-N 1 0 321.449 4.057 20 30 DIEDRO CC(C)=CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000480308683 1039750173 /nfs/dbraw/zinc/75/01/73/1039750173.db2.gz SSEXYMBNJUAULD-UHFFFAOYSA-N 1 0 306.409 4.193 20 30 DIEDRO Cn1cc(C[NH2+][C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)cc1C#N ZINC000480309720 1039751343 /nfs/dbraw/zinc/75/13/43/1039751343.db2.gz LZQSNFJUQWHKJE-KXBFYZLASA-N 1 0 319.452 4.286 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000542104209 1039792170 /nfs/dbraw/zinc/79/21/70/1039792170.db2.gz POXLHASYLZYCBQ-MOPGFXCFSA-N 1 0 310.466 4.452 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000542104211 1039793817 /nfs/dbraw/zinc/79/38/17/1039793817.db2.gz POXLHASYLZYCBQ-RBUKOAKNSA-N 1 0 310.466 4.452 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)[C@@H]2CCCC[C@@H]21 ZINC000542184566 1039810471 /nfs/dbraw/zinc/81/04/71/1039810471.db2.gz CMCORCHOIWSIEC-NSISKUIASA-N 1 0 312.457 4.380 20 30 DIEDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611864334 1039823072 /nfs/dbraw/zinc/82/30/72/1039823072.db2.gz SJBOWGMEPRXNGH-GJZGRUSLSA-N 1 0 318.424 4.106 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(F)c2cccnc12 ZINC000491395648 1039839770 /nfs/dbraw/zinc/83/97/70/1039839770.db2.gz JSSVAARPCWMDIH-UHFFFAOYSA-N 1 0 310.372 4.198 20 30 DIEDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000030150815 1039872376 /nfs/dbraw/zinc/87/23/76/1039872376.db2.gz CEIOPVPJNFVHAF-LIRRHRJNSA-N 1 0 306.409 4.439 20 30 DIEDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2cccc(C#N)c2)C2CC2)o1 ZINC000030152231 1039872802 /nfs/dbraw/zinc/87/28/02/1039872802.db2.gz KNRLOFUIYRAUQV-AUUYWEPGSA-N 1 0 306.409 4.439 20 30 DIEDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cccc(C#N)c2)C2CC2)o1 ZINC000030152230 1039874151 /nfs/dbraw/zinc/87/41/51/1039874151.db2.gz KNRLOFUIYRAUQV-LIRRHRJNSA-N 1 0 306.409 4.439 20 30 DIEDRO CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271981765 1039944629 /nfs/dbraw/zinc/94/46/29/1039944629.db2.gz ZADBEHOWWGASSK-CQSZACIVSA-N 1 0 312.388 4.085 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccc(F)cc2F)ccc1C#N ZINC000443998106 1040010807 /nfs/dbraw/zinc/01/08/07/1040010807.db2.gz ZYAUJGSZSKSVMB-CYBMUJFWSA-N 1 0 300.352 4.038 20 30 DIEDRO CCOc1cc(Cl)ccc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444002592 1040013813 /nfs/dbraw/zinc/01/38/13/1040013813.db2.gz KCKXYEAVHFUPLM-UHFFFAOYSA-N 1 0 314.816 4.209 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCCCC[C@H]2/C=C/c2cccs2)ccn1 ZINC000611941636 1040100090 /nfs/dbraw/zinc/10/00/90/1040100090.db2.gz BBFXCJQJUFGGMH-DVBCCOPCSA-N 1 0 323.465 4.473 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000177905709 1040145032 /nfs/dbraw/zinc/14/50/32/1040145032.db2.gz ZYNNOOMQNLETLX-GFCCVEGCSA-N 1 0 313.272 4.294 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000657931309 1040190479 /nfs/dbraw/zinc/19/04/79/1040190479.db2.gz HGUISZVTIUWYNP-BHIYHBOVSA-N 1 0 312.457 4.209 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000657989983 1040257254 /nfs/dbraw/zinc/25/72/54/1040257254.db2.gz QHKGBDZNZRGRFC-KBAYOESNSA-N 1 0 301.478 4.046 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000658062345 1040285670 /nfs/dbraw/zinc/28/56/70/1040285670.db2.gz YNZIUUHYNBXKJI-BMFZPTHFSA-N 1 0 322.518 4.426 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000658062346 1040287046 /nfs/dbraw/zinc/28/70/46/1040287046.db2.gz YNZIUUHYNBXKJI-FVQBIDKESA-N 1 0 322.518 4.426 20 30 DIEDRO C=CCC[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000658116650 1040307317 /nfs/dbraw/zinc/30/73/17/1040307317.db2.gz MJIYGTBALQONJH-OAHLLOKOSA-N 1 0 312.251 4.083 20 30 DIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000612058190 1040317745 /nfs/dbraw/zinc/31/77/45/1040317745.db2.gz PIIKJTHWAVJIMX-UHFFFAOYSA-N 1 0 318.342 4.403 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)C1CC1 ZINC000658189367 1040347571 /nfs/dbraw/zinc/34/75/71/1040347571.db2.gz ZFOIRVDAROXBPL-GOSISDBHSA-N 1 0 312.413 4.185 20 30 DIEDRO C[C@@]1(C#N)CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000612164650 1040464860 /nfs/dbraw/zinc/46/48/60/1040464860.db2.gz DIYZZWRJTGXONP-INIZCTEOSA-N 1 0 310.363 4.264 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)c1cccc(OC)c1 ZINC000179470429 1040465473 /nfs/dbraw/zinc/46/54/73/1040465473.db2.gz YRQJUFHMSCYECI-CYBMUJFWSA-N 1 0 300.427 4.211 20 30 DIEDRO CC[N@H+](Cc1cccs1)Cc1ccc(N(C)CCC#N)cc1 ZINC000179720705 1040527576 /nfs/dbraw/zinc/52/75/76/1040527576.db2.gz XXSAWZOLVQASFN-UHFFFAOYSA-N 1 0 313.470 4.120 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000601135491 1040582490 /nfs/dbraw/zinc/58/24/90/1040582490.db2.gz GAKKCMCFYSEIHD-UXHICEINSA-N 1 0 320.436 4.108 20 30 DIEDRO CS[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000612419648 1040588336 /nfs/dbraw/zinc/58/83/36/1040588336.db2.gz DKTOEGUQXSOHRE-DLBZAZTESA-N 1 0 302.487 4.303 20 30 DIEDRO Cc1csc([C@@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000612574225 1040645078 /nfs/dbraw/zinc/64/50/78/1040645078.db2.gz JYDGYCMHDPSFKM-SJCJKPOMSA-N 1 0 311.454 4.094 20 30 DIEDRO Cc1cnc([C@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000612576872 1040647213 /nfs/dbraw/zinc/64/72/13/1040647213.db2.gz FUFNNXJOFVMUIX-SJKOYZFVSA-N 1 0 311.454 4.094 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000236704492 1040648794 /nfs/dbraw/zinc/64/87/94/1040648794.db2.gz BSQLRHDLNUBRJV-QGZVFWFLSA-N 1 0 322.452 4.456 20 30 DIEDRO CC(C)(C#N)C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000612587963 1040649277 /nfs/dbraw/zinc/64/92/77/1040649277.db2.gz JBUFFDYZQYIROK-UHFFFAOYSA-N 1 0 317.436 4.329 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754505 1040661222 /nfs/dbraw/zinc/66/12/22/1040661222.db2.gz BOLXAEYVMUQLFJ-UHFFFAOYSA-N 1 0 320.770 4.164 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000180015601 1040693579 /nfs/dbraw/zinc/69/35/79/1040693579.db2.gz OMWHPXWJEIGJJO-CQSZACIVSA-N 1 0 314.479 4.234 20 30 DIEDRO CC(C)(C#N)C[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000613145813 1040801326 /nfs/dbraw/zinc/80/13/26/1040801326.db2.gz MHBMLHKEFCRTOE-HXUWFJFHSA-N 1 0 306.453 4.370 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000613314801 1040873737 /nfs/dbraw/zinc/87/37/37/1040873737.db2.gz CIGGEECUYANMGC-MJGOQNOKSA-N 1 0 308.400 4.369 20 30 DIEDRO CC1(C)[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@H]1c1ccccc1 ZINC000613314797 1040873855 /nfs/dbraw/zinc/87/38/55/1040873855.db2.gz CIGGEECUYANMGC-HKUYNNGSSA-N 1 0 308.400 4.369 20 30 DIEDRO C#CCCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000178061427 1040889486 /nfs/dbraw/zinc/88/94/86/1040889486.db2.gz FPRZNGVMVOSKER-HNNXBMFYSA-N 1 0 314.429 4.330 20 30 DIEDRO CC[N@H+](CCCc1cnccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000582267785 1040913443 /nfs/dbraw/zinc/91/34/43/1040913443.db2.gz KNHJXDZTUKAWPA-KRWDZBQOSA-N 1 0 307.441 4.277 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000414160171 1040934105 /nfs/dbraw/zinc/93/41/05/1040934105.db2.gz XLLYGGDLNBLNSQ-ZIAGYGMSSA-N 1 0 312.388 4.426 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1ccc(C#N)cc1 ZINC000414156865 1040935239 /nfs/dbraw/zinc/93/52/39/1040935239.db2.gz QZCCYXQCVHJWSY-SWLSCSKDSA-N 1 0 311.454 4.305 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000414162587 1040940083 /nfs/dbraw/zinc/94/00/83/1040940083.db2.gz HLAFGNAFMNLKJU-SFHVURJKSA-N 1 0 323.396 4.214 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCc2c1ccc(OC)c2F)c1ccncc1 ZINC000808696259 1041007684 /nfs/dbraw/zinc/00/76/84/1041007684.db2.gz OCJYKZCFFSFMPS-IAGOWNOFSA-N 1 0 312.388 4.124 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175953783 1041119215 /nfs/dbraw/zinc/11/92/15/1041119215.db2.gz VKJLTTSZOUHLCA-IBGZPJMESA-N 1 0 314.473 4.040 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000616810510 1041130810 /nfs/dbraw/zinc/13/08/10/1041130810.db2.gz YQRXASJAQVQPCK-OAHLLOKOSA-N 1 0 310.363 4.277 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659011890 1041143700 /nfs/dbraw/zinc/14/37/00/1041143700.db2.gz MUYLMEHLLZVNPQ-QGZVFWFLSA-N 1 0 317.477 4.033 20 30 DIEDRO CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180547506 1041168822 /nfs/dbraw/zinc/16/88/22/1041168822.db2.gz RMJRQLMLCRYMLU-IBGZPJMESA-N 1 0 308.425 4.090 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000809542429 1041183216 /nfs/dbraw/zinc/18/32/16/1041183216.db2.gz GLBUWLHYMPKYNC-IBGZPJMESA-N 1 0 321.420 4.022 20 30 DIEDRO C#Cc1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000809574786 1041190197 /nfs/dbraw/zinc/19/01/97/1041190197.db2.gz PYPSSRWJQHGKKR-UHFFFAOYSA-N 1 0 319.448 4.097 20 30 DIEDRO C#Cc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000809559306 1041192208 /nfs/dbraw/zinc/19/22/08/1041192208.db2.gz MPRKICAKGNVPED-FCHUYYIVSA-N 1 0 319.448 4.268 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000809606900 1041192526 /nfs/dbraw/zinc/19/25/26/1041192526.db2.gz IWHBWNUZNXGECD-UHFFFAOYSA-N 1 0 305.421 4.279 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000809606423 1041192894 /nfs/dbraw/zinc/19/28/94/1041192894.db2.gz QUMMMTLOYIUJDW-CYBMUJFWSA-N 1 0 301.336 4.120 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@H](C)CC(C)C)ccc1OC ZINC000809619867 1041197501 /nfs/dbraw/zinc/19/75/01/1041197501.db2.gz ZVLIKJLKYIVBJB-WBVHZDCISA-N 1 0 318.461 4.148 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@H]2CCCc3nc(CC)sc32)cc1 ZINC000809586019 1041197836 /nfs/dbraw/zinc/19/78/36/1041197836.db2.gz GKYBXELJQUKQBH-KRWDZBQOSA-N 1 0 310.466 4.196 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc1 ZINC000809602251 1041200959 /nfs/dbraw/zinc/20/09/59/1041200959.db2.gz LFOUPPPCDJLTGX-CYBMUJFWSA-N 1 0 314.226 4.281 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000809604041 1041203149 /nfs/dbraw/zinc/20/31/49/1041203149.db2.gz NJNPKLFYZCXVFJ-ZDUSSCGKSA-N 1 0 319.326 4.417 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1 ZINC000809625241 1041203680 /nfs/dbraw/zinc/20/36/80/1041203680.db2.gz ZXJOAQMUMFDGKQ-UHFFFAOYSA-N 1 0 316.326 4.011 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](CCCCOC)c2ccccc2)cc1 ZINC000809656568 1041211741 /nfs/dbraw/zinc/21/17/41/1041211741.db2.gz FXRUPIDBSGSSFI-OAQYLSRUSA-N 1 0 307.437 4.316 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(C#N)cc1 ZINC000278805628 1041216091 /nfs/dbraw/zinc/21/60/91/1041216091.db2.gz RNVIQLBALVLJPX-SFHVURJKSA-N 1 0 323.440 4.371 20 30 DIEDRO C#C[C@H]([NH2+]CCCc1cnccc1C)c1ccc(Cl)cc1F ZINC000809699252 1041218085 /nfs/dbraw/zinc/21/80/85/1041218085.db2.gz MFXBCMFFCGQOCU-SFHVURJKSA-N 1 0 316.807 4.079 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CCC(F)(F)F)c1ccc(Cl)cc1F ZINC000809698392 1041219020 /nfs/dbraw/zinc/21/90/20/1041219020.db2.gz BGRKAMQLEMHDAS-NOZJJQNGSA-N 1 0 307.718 4.474 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccc(Cl)cc1F ZINC000809699336 1041219211 /nfs/dbraw/zinc/21/92/11/1041219211.db2.gz QJVLNRQHEVZUFI-ZCDVPAHGSA-N 1 0 321.823 4.235 20 30 DIEDRO Cc1ccccc1[C@@H](O)C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000809703658 1041227947 /nfs/dbraw/zinc/22/79/47/1041227947.db2.gz SFEZKHVJUQCLPS-IBGZPJMESA-N 1 0 314.473 4.070 20 30 DIEDRO C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000613540398 1041235064 /nfs/dbraw/zinc/23/50/64/1041235064.db2.gz UQBCBCWJXVZTHZ-OGZRUICASA-N 1 0 300.446 4.102 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809756051 1041247818 /nfs/dbraw/zinc/24/78/18/1041247818.db2.gz ULFAROCGFFWDQK-IAQYHMDHSA-N 1 0 302.245 4.361 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181270727 1041260249 /nfs/dbraw/zinc/26/02/49/1041260249.db2.gz JXLUVLKEFBODDC-HNNXBMFYSA-N 1 0 304.434 4.264 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000580178836 1041262587 /nfs/dbraw/zinc/26/25/87/1041262587.db2.gz IQSBFJYPTVSKGT-UHFFFAOYSA-N 1 0 306.400 4.474 20 30 DIEDRO C[C@H](Nc1ccc([C@H]2CCCC[N@@H+]2C)cn1)c1cccc(C#N)c1 ZINC001167707145 1041265179 /nfs/dbraw/zinc/26/51/79/1041265179.db2.gz GSUJCZTUODHYHS-HNAYVOBHSA-N 1 0 320.440 4.283 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)c1cccc(OC)c1OC ZINC000926794856 1041267520 /nfs/dbraw/zinc/26/75/20/1041267520.db2.gz NNBWDVKJNVAKOI-HIFRSBDPSA-N 1 0 304.434 4.073 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccsc1Br)C1CC1 ZINC000381669199 1041292183 /nfs/dbraw/zinc/29/21/83/1041292183.db2.gz WFTQOICMJXQSPD-LBPRGKRZSA-N 1 0 300.265 4.345 20 30 DIEDRO C[C@H](Nc1nccc2c3c([nH]c21)CCCC3)c1cccc(C#N)c1 ZINC001167710214 1041324699 /nfs/dbraw/zinc/32/46/99/1041324699.db2.gz MVCAYRIZZBSUPA-ZDUSSCGKSA-N 1 0 316.408 4.486 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000810211209 1041337138 /nfs/dbraw/zinc/33/71/38/1041337138.db2.gz OOSROBUNXFCLSV-FQEVSTJZSA-N 1 0 306.409 4.123 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000810259687 1041350170 /nfs/dbraw/zinc/35/01/70/1041350170.db2.gz PKMLNJNSXKGRCO-RDTXWAMCSA-N 1 0 323.864 4.020 20 30 DIEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810238630 1041352563 /nfs/dbraw/zinc/35/25/63/1041352563.db2.gz RJGUAPMFXWJQFD-ZDUSSCGKSA-N 1 0 312.335 4.146 20 30 DIEDRO CCC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H](O)c1ccccc1 ZINC000810236956 1041354167 /nfs/dbraw/zinc/35/41/67/1041354167.db2.gz CIUSNYDFGRVKBA-ACRUOGEOSA-N 1 0 320.436 4.037 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000414497587 1041363801 /nfs/dbraw/zinc/36/38/01/1041363801.db2.gz GHUNLOZGDVUMPU-HIFRSBDPSA-N 1 0 300.789 4.231 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000414497589 1041363807 /nfs/dbraw/zinc/36/38/07/1041363807.db2.gz GHUNLOZGDVUMPU-UKRRQHHQSA-N 1 0 300.789 4.231 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001203208267 1041370265 /nfs/dbraw/zinc/37/02/65/1041370265.db2.gz QADMTZQHZLHTMD-AXAPSJFSSA-N 1 0 314.256 4.361 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1Br)C1CCCCC1 ZINC000480722540 1041383120 /nfs/dbraw/zinc/38/31/20/1041383120.db2.gz YJTZSNXURZBFFK-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000613661574 1041411657 /nfs/dbraw/zinc/41/16/57/1041411657.db2.gz WTMUKVLFBGDBET-KOLCDFICSA-N 1 0 302.727 4.141 20 30 DIEDRO CCC1CCC(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236641042 1041400035 /nfs/dbraw/zinc/40/00/35/1041400035.db2.gz DRDMSHMORUSCKX-GTPINHCMSA-N 1 0 300.446 4.283 20 30 DIEDRO CCC1CCC(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236641069 1041400202 /nfs/dbraw/zinc/40/02/02/1041400202.db2.gz DRDMSHMORUSCKX-KLAILNCOSA-N 1 0 300.446 4.283 20 30 DIEDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000290266013 1041401207 /nfs/dbraw/zinc/40/12/07/1041401207.db2.gz LCIQSENBDONBML-FZKQIMNGSA-N 1 0 314.816 4.250 20 30 DIEDRO N#CCCCC[NH2+][C@@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000892929360 1041422898 /nfs/dbraw/zinc/42/28/98/1041422898.db2.gz ICVHURKLMLEAFE-CZUORRHYSA-N 1 0 310.363 4.414 20 30 DIEDRO COc1ccc(CN(C)Cc2ccc(Cl)cc2C#N)cc1C ZINC000480790363 1041458494 /nfs/dbraw/zinc/45/84/94/1041458494.db2.gz VTTNSAFAISNSJN-UHFFFAOYSA-N 1 0 314.816 4.161 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(C#N)cc1 ZINC000177200507 1041476595 /nfs/dbraw/zinc/47/65/95/1041476595.db2.gz OPZFXCDOUBLHLP-CVEARBPZSA-N 1 0 316.408 4.156 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728713137 1041478264 /nfs/dbraw/zinc/47/82/64/1041478264.db2.gz MHOLSCOABLLYOE-HOTGVXAUSA-N 1 0 324.424 4.227 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2csc3ccccc23)cc1 ZINC000728711950 1041478715 /nfs/dbraw/zinc/47/87/15/1041478715.db2.gz PUNCZZOQCYAPEN-AWEZNQCLSA-N 1 0 322.433 4.482 20 30 DIEDRO C=CCC[N@H+]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001170633006 1041506725 /nfs/dbraw/zinc/50/67/25/1041506725.db2.gz RVZTYXNTJYLAAZ-IBGZPJMESA-N 1 0 320.908 4.448 20 30 DIEDRO Cc1nc2ccc(C[NH2+]C3(c4cccc(C#N)c4)CC3)cc2s1 ZINC000341210205 1041510764 /nfs/dbraw/zinc/51/07/64/1041510764.db2.gz FYVQQJXOKHYEHA-UHFFFAOYSA-N 1 0 319.433 4.255 20 30 DIEDRO C=C(C)C[N@H+](CC)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000136194647 1041539661 /nfs/dbraw/zinc/53/96/61/1041539661.db2.gz ONLNDMNLLLVLGK-UHFFFAOYSA-N 1 0 302.462 4.229 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000309444088 1041553287 /nfs/dbraw/zinc/55/32/87/1041553287.db2.gz KWPWXCGGJDCGMY-LLVKDONJSA-N 1 0 300.265 4.273 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)c(O)c(OC)c1 ZINC000014308549 1041594424 /nfs/dbraw/zinc/59/44/24/1041594424.db2.gz VGAGCYSFXVUGNS-IBGZPJMESA-N 1 0 323.436 4.466 20 30 DIEDRO C=C(C)C[NH+]1CCC(NCc2cccc(Cl)c2Cl)CC1 ZINC000236690290 1041604450 /nfs/dbraw/zinc/60/44/50/1041604450.db2.gz GMXFYGOEXDOWPZ-UHFFFAOYSA-N 1 0 313.272 4.124 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cc1 ZINC001170680780 1041631304 /nfs/dbraw/zinc/63/13/04/1041631304.db2.gz JEUNHTQYXDTWJI-LJQANCHMSA-N 1 0 308.400 4.249 20 30 DIEDRO CCCCCCCCCC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000837044384 1041634334 /nfs/dbraw/zinc/63/43/34/1041634334.db2.gz NEMTZQOYAFXPGO-UHFFFAOYSA-N 1 0 308.510 4.260 20 30 DIEDRO Cc1cc(F)ccc1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001170684114 1041641378 /nfs/dbraw/zinc/64/13/78/1041641378.db2.gz UMQMJYUTVCCQLF-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(F)cc1C#N ZINC001141166460 1041654584 /nfs/dbraw/zinc/65/45/84/1041654584.db2.gz PEEGJNGMCPZJDI-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417347398 1041663183 /nfs/dbraw/zinc/66/31/83/1041663183.db2.gz HFXKPEFITJWBKO-QGZVFWFLSA-N 1 0 315.417 4.282 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1COCc2ccccc21 ZINC000417361311 1041664416 /nfs/dbraw/zinc/66/44/16/1041664416.db2.gz KPHNRAZRWMSSTG-SFTDATJTSA-N 1 0 318.420 4.187 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000417372421 1041667033 /nfs/dbraw/zinc/66/70/33/1041667033.db2.gz WBBSRXUSQAOWRX-ROPHOZQPSA-N 1 0 324.468 4.121 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1O ZINC000417375917 1041667768 /nfs/dbraw/zinc/66/77/68/1041667768.db2.gz ZXJKPIJDOOIGGZ-UGSOOPFHSA-N 1 0 322.408 4.001 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417375928 1041668232 /nfs/dbraw/zinc/66/82/32/1041668232.db2.gz ZYNSAWROFHAEIP-UYAOXDASSA-N 1 0 323.415 4.457 20 30 DIEDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000728777082 1041683433 /nfs/dbraw/zinc/68/34/33/1041683433.db2.gz YJDQXIGIPXKJLG-OALUTQOASA-N 1 0 313.489 4.341 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000925634929 1041714771 /nfs/dbraw/zinc/71/47/71/1041714771.db2.gz MZEINKTWALMQRB-UZLBHIALSA-N 1 0 307.437 4.329 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)C1CC1 ZINC000747857941 1041717529 /nfs/dbraw/zinc/71/75/29/1041717529.db2.gz BVHSNUGZUUNTEJ-KRWDZBQOSA-N 1 0 303.446 4.317 20 30 DIEDRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1(C#N)CCC1 ZINC000418140609 1041730978 /nfs/dbraw/zinc/73/09/78/1041730978.db2.gz JUEVGINZAIHGTC-CYBMUJFWSA-N 1 0 310.363 4.310 20 30 DIEDRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1(C#N)CCC1 ZINC000418143275 1041731451 /nfs/dbraw/zinc/73/14/51/1041731451.db2.gz PAGSGCRNCHYISI-ZDUSSCGKSA-N 1 0 310.363 4.310 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000813873784 1041739881 /nfs/dbraw/zinc/73/98/81/1041739881.db2.gz SORDAIJGPWPVCC-MRXNPFEDSA-N 1 0 302.462 4.176 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc(OCC#N)cc1 ZINC000813875882 1041740916 /nfs/dbraw/zinc/74/09/16/1041740916.db2.gz RLZCOSBSQAEWFU-AWEZNQCLSA-N 1 0 324.399 4.456 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000813879958 1041742034 /nfs/dbraw/zinc/74/20/34/1041742034.db2.gz TWJFPHAGXMOHQJ-HOTGVXAUSA-N 1 0 322.493 4.110 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000216700828 1041745585 /nfs/dbraw/zinc/74/55/85/1041745585.db2.gz NIPCKTNKTDJHPQ-AWEZNQCLSA-N 1 0 306.365 4.034 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000398072195 1041761663 /nfs/dbraw/zinc/76/16/63/1041761663.db2.gz AITMZSDMRUEJJQ-HOTGVXAUSA-N 1 0 310.482 4.110 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)cc1 ZINC000236696830 1041778354 /nfs/dbraw/zinc/77/83/54/1041778354.db2.gz ZZPMKQARNZIHKP-UHFFFAOYSA-N 1 0 311.400 4.253 20 30 DIEDRO CCCCCCCCC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000814162185 1041781678 /nfs/dbraw/zinc/78/16/78/1041781678.db2.gz QMZIZQRFECSFBT-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc2cc(C#N)ccc2n1 ZINC000092885779 1041785297 /nfs/dbraw/zinc/78/52/97/1041785297.db2.gz KSOGWFNBSNGVGS-OAHLLOKOSA-N 1 0 310.445 4.029 20 30 DIEDRO COCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[C@H](C)C1 ZINC000616873138 1041791862 /nfs/dbraw/zinc/79/18/62/1041791862.db2.gz OEYQGTCQLISPHX-LPHOPBHVSA-N 1 0 314.473 4.125 20 30 DIEDRO COCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[C@H](C)C1 ZINC000616873139 1041792057 /nfs/dbraw/zinc/79/20/57/1041792057.db2.gz OEYQGTCQLISPHX-QFBILLFUSA-N 1 0 314.473 4.125 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000747925216 1041795082 /nfs/dbraw/zinc/79/50/82/1041795082.db2.gz ZSPSBVYASXQYSX-UHFFFAOYSA-N 1 0 319.452 4.183 20 30 DIEDRO Cc1ccc(OCCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000566767412 1041795739 /nfs/dbraw/zinc/79/57/39/1041795739.db2.gz HVDSUQTVOIURAO-NRFANRHFSA-N 1 0 320.436 4.303 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000814303912 1041808489 /nfs/dbraw/zinc/80/84/89/1041808489.db2.gz CTYTYXQJVMNTCX-IBGZPJMESA-N 1 0 306.409 4.146 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000814303913 1041808506 /nfs/dbraw/zinc/80/85/06/1041808506.db2.gz CTYTYXQJVMNTCX-LJQANCHMSA-N 1 0 306.409 4.146 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814659408 1041845471 /nfs/dbraw/zinc/84/54/71/1041845471.db2.gz NFSRPDZMVUYQBF-HUUCEWRRSA-N 1 0 302.418 4.039 20 30 DIEDRO CC(=NN=c1[nH]c2ccccc2s1)c1cccc(C[NH+](C)C)c1 ZINC000814685546 1041848967 /nfs/dbraw/zinc/84/89/67/1041848967.db2.gz RYDJDMCJFSUABN-UHFFFAOYSA-N 1 0 324.453 4.194 20 30 DIEDRO CC(=NN[C@@H](C)c1ccc(C(C)C)cc1)C1CC[NH+](C)CC1 ZINC000814811820 1041870533 /nfs/dbraw/zinc/87/05/33/1041870533.db2.gz VJRNTXRLHBHHDP-HNNXBMFYSA-N 1 0 301.478 4.178 20 30 DIEDRO CC(N=Nc1nccc2sccc21)c1ccc(C[NH+](C)C)cc1 ZINC000814809213 1041872973 /nfs/dbraw/zinc/87/29/73/1041872973.db2.gz RPCNBGUPZGEGAG-UHFFFAOYSA-N 1 0 324.453 4.194 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000651685731 1041880853 /nfs/dbraw/zinc/88/08/53/1041880853.db2.gz CBIVVGSJWFKAIC-VQIMIIECSA-N 1 0 317.448 4.208 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000661115345 1041887734 /nfs/dbraw/zinc/88/77/34/1041887734.db2.gz BLCQTNFFTVLOMI-OAGGEKHMSA-N 1 0 321.465 4.028 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc([C@H](C)OCC(C)C)no1 ZINC000661115343 1041888390 /nfs/dbraw/zinc/88/83/90/1041888390.db2.gz BLCQTNFFTVLOMI-ARFHVFGLSA-N 1 0 321.465 4.028 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc([C@H](C)OCC(C)C)no1 ZINC000661115346 1041888754 /nfs/dbraw/zinc/88/87/54/1041888754.db2.gz BLCQTNFFTVLOMI-XHSDSOJGSA-N 1 0 321.465 4.028 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc([C@H](C)OCC)n1 ZINC000661118155 1041889291 /nfs/dbraw/zinc/88/92/91/1041889291.db2.gz XBLUYSIXUDKYTA-LZWOXQAQSA-N 1 0 308.491 4.465 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000661119710 1041890021 /nfs/dbraw/zinc/89/00/21/1041890021.db2.gz WKOZHTXPZIQTRP-OCCSQVGLSA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815009296 1041902703 /nfs/dbraw/zinc/90/27/03/1041902703.db2.gz DFGOINXRMBGWNO-GOSISDBHSA-N 1 0 307.393 4.154 20 30 DIEDRO C=CCC(F)(F)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000815041249 1041908670 /nfs/dbraw/zinc/90/86/70/1041908670.db2.gz GJEKUNSUVCQJAQ-AWEZNQCLSA-N 1 0 322.399 4.068 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccsc2C)c1 ZINC000815126748 1041916370 /nfs/dbraw/zinc/91/63/70/1041916370.db2.gz QFZKNCKJSFQQBG-INIZCTEOSA-N 1 0 300.427 4.027 20 30 DIEDRO C=CCc1cc(C[NH2+]Cc2ccsc2C)cc(OC)c1OC ZINC000815123428 1041916630 /nfs/dbraw/zinc/91/66/30/1041916630.db2.gz HDFREVXXYASEGJ-UHFFFAOYSA-N 1 0 317.454 4.092 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)C1 ZINC000651821120 1041923982 /nfs/dbraw/zinc/92/39/82/1041923982.db2.gz DEDWIDVSNKAGDO-SJLPKXTDSA-N 1 0 314.477 4.083 20 30 DIEDRO C=CC[C@H]1CC[C@H]([N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)C1 ZINC000651821121 1041924572 /nfs/dbraw/zinc/92/45/72/1041924572.db2.gz DEDWIDVSNKAGDO-WMZOPIPTSA-N 1 0 314.477 4.083 20 30 DIEDRO C=CCC(F)(F)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000815136600 1041924731 /nfs/dbraw/zinc/92/47/31/1041924731.db2.gz IGTTYQVPVBNUQB-UHFFFAOYSA-N 1 0 322.399 4.213 20 30 DIEDRO C[C@@H](C#N)OCC[N@@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC000815150602 1041927947 /nfs/dbraw/zinc/92/79/47/1041927947.db2.gz BPDYFICPKXUZHI-RDJZCZTQSA-N 1 0 320.864 4.056 20 30 DIEDRO C[C@H](C#N)OCC[N@@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000815150601 1041928032 /nfs/dbraw/zinc/92/80/32/1041928032.db2.gz BPDYFICPKXUZHI-NVXWUHKLSA-N 1 0 320.864 4.056 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000661378249 1041929553 /nfs/dbraw/zinc/92/95/53/1041929553.db2.gz BDCUYNFHFVPLON-QGZVFWFLSA-N 1 0 314.473 4.345 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378532 1041929764 /nfs/dbraw/zinc/92/97/64/1041929764.db2.gz IGMXRVDSMVNOQU-CVEARBPZSA-N 1 0 311.429 4.394 20 30 DIEDRO C=C(C)C[NH+]1[C@@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001170784417 1041949654 /nfs/dbraw/zinc/94/96/54/1041949654.db2.gz UTLLYCLYZVOBPJ-KBPBESRZSA-N 1 0 312.379 4.181 20 30 DIEDRO CC(C)(C#N)CCCCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446071 1041953058 /nfs/dbraw/zinc/95/30/58/1041953058.db2.gz OJOVIHCCPKZVIY-KRWDZBQOSA-N 1 0 320.477 4.047 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815634802 1041982414 /nfs/dbraw/zinc/98/24/14/1041982414.db2.gz QSHIVSSSCPOVSQ-HRCADAONSA-N 1 0 316.445 4.285 20 30 DIEDRO C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1nc2c(s1)CCCC2 ZINC000093401120 1041983231 /nfs/dbraw/zinc/98/32/31/1041983231.db2.gz MNMXHYHKHWKJDH-STQMWFEESA-N 1 0 311.454 4.305 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C(C)(C)C ZINC000661756282 1041988712 /nfs/dbraw/zinc/98/87/12/1041988712.db2.gz IPSZFBAYCBHRDA-UHFFFAOYSA-N 1 0 308.853 4.182 20 30 DIEDRO C=CC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)C(C)(C)C ZINC000661755635 1041990383 /nfs/dbraw/zinc/99/03/83/1041990383.db2.gz WKUYZZROGIOBDG-UHFFFAOYSA-N 1 0 300.402 4.137 20 30 DIEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCc2ccccc21 ZINC000596982898 1041998805 /nfs/dbraw/zinc/99/88/05/1041998805.db2.gz MPYQQBBMZDQDEO-FQEVSTJZSA-N 1 0 302.421 4.361 20 30 DIEDRO C=CCC1([NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)CCCC1 ZINC000661864320 1042008344 /nfs/dbraw/zinc/00/83/44/1042008344.db2.gz PCQQNWFDIILAMY-UHFFFAOYSA-N 1 0 323.396 4.060 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000662081803 1042056952 /nfs/dbraw/zinc/05/69/52/1042056952.db2.gz SAOBSYSKEZYGRC-OKZBNKHCSA-N 1 0 312.457 4.122 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000662081903 1042057203 /nfs/dbraw/zinc/05/72/03/1042057203.db2.gz STSNLVKMBHSATJ-ZACQAIPSSA-N 1 0 312.457 4.320 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000662078094 1042057497 /nfs/dbraw/zinc/05/74/97/1042057497.db2.gz AJJSMAHJSLPZNL-SOUVJXGZSA-N 1 0 318.848 4.158 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCc2ccccn2)cc1 ZINC000662084868 1042059269 /nfs/dbraw/zinc/05/92/69/1042059269.db2.gz XTGNLVLQAVMYLR-BGYRXZFFSA-N 1 0 320.436 4.344 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000662084165 1042059439 /nfs/dbraw/zinc/05/94/39/1042059439.db2.gz NOYDOIRRIWYIRI-HRCADAONSA-N 1 0 309.413 4.289 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc2ccccc2c1O ZINC000816564370 1042069393 /nfs/dbraw/zinc/06/93/93/1042069393.db2.gz CSSBZJHFXHAOJG-UHFFFAOYSA-N 1 0 307.393 4.369 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccc(Cl)cc1F ZINC000816608296 1042071652 /nfs/dbraw/zinc/07/16/52/1042071652.db2.gz VRXQTVFDKJDVMK-SGTLLEGYSA-N 1 0 317.791 4.080 20 30 DIEDRO N#Cc1ccc(Cl)c(Nc2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001159590093 1042091057 /nfs/dbraw/zinc/09/10/57/1042091057.db2.gz AKCQBXMUXVOIGL-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO N#CCOc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001212609118 1042096915 /nfs/dbraw/zinc/09/69/15/1042096915.db2.gz WHWOVPOEZCAETA-UHFFFAOYSA-N 1 0 321.424 4.318 20 30 DIEDRO CC(C)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccsc1 ZINC000817287249 1042100027 /nfs/dbraw/zinc/10/00/27/1042100027.db2.gz LUKYDKWHQQKMEP-KBXCAEBGSA-N 1 0 314.454 4.125 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](CC)C2)cc1 ZINC000817586472 1042118358 /nfs/dbraw/zinc/11/83/58/1042118358.db2.gz ORNOZIBFMDAADZ-XIRDDKMYSA-N 1 0 323.864 4.426 20 30 DIEDRO CCCCCCCCCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000818001537 1042133619 /nfs/dbraw/zinc/13/36/19/1042133619.db2.gz LTDWNNRQRQCUBR-ROUUACIJSA-N 1 0 308.510 4.118 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000066483996 1042140313 /nfs/dbraw/zinc/14/03/13/1042140313.db2.gz PNAQMKNJZOZHIP-MRXNPFEDSA-N 1 0 313.420 4.061 20 30 DIEDRO CCCCCCCCCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818290990 1042146054 /nfs/dbraw/zinc/14/60/54/1042146054.db2.gz PAIAJRXTBHETTP-KRWDZBQOSA-N 1 0 308.510 4.118 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cccc(Cl)c2C1)c1cccc(C#N)c1 ZINC001170896901 1042146205 /nfs/dbraw/zinc/14/62/05/1042146205.db2.gz KNZCHCWSGFTVDN-SUMWQHHRSA-N 1 0 310.828 4.420 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000818357308 1042151100 /nfs/dbraw/zinc/15/11/00/1042151100.db2.gz YWPRNCUMYXZQGO-IJEWVQPXSA-N 1 0 304.821 4.161 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC001170929778 1042188056 /nfs/dbraw/zinc/18/80/56/1042188056.db2.gz LYNIYUMQQGLROJ-FQEVSTJZSA-N 1 0 313.485 4.454 20 30 DIEDRO C=CC1(CC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CCCCC1 ZINC001136263012 1042195953 /nfs/dbraw/zinc/19/59/53/1042195953.db2.gz ARWOCGTUQWKLHR-SFHVURJKSA-N 1 0 320.521 4.141 20 30 DIEDRO CC[C@H](C)Oc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1OC ZINC000066971920 1042212302 /nfs/dbraw/zinc/21/23/02/1042212302.db2.gz HAOWEBUITLHVJN-HNNXBMFYSA-N 1 0 324.424 4.034 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000390855912 1042226827 /nfs/dbraw/zinc/22/68/27/1042226827.db2.gz JNWRWGRQBYZPHF-HIFRSBDPSA-N 1 0 308.372 4.065 20 30 DIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)c1 ZINC000821017294 1042237952 /nfs/dbraw/zinc/23/79/52/1042237952.db2.gz FAUWZUWPQLMFHC-SOFGYWHQSA-N 1 0 315.800 4.003 20 30 DIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc(Cl)c(F)c2)c1 ZINC000821017743 1042238023 /nfs/dbraw/zinc/23/80/23/1042238023.db2.gz NBRAWFNXLAKJIF-CLFYSBASSA-N 1 0 317.791 4.437 20 30 DIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)c1 ZINC000821022571 1042239105 /nfs/dbraw/zinc/23/91/05/1042239105.db2.gz SINRPUNLOXITOS-VOTSOKGWSA-N 1 0 319.326 4.062 20 30 DIEDRO CC(C)([NH2+][C@@H]1CCc2cccc(F)c2C1)c1ccc(C#N)cc1 ZINC001170958222 1042241331 /nfs/dbraw/zinc/24/13/31/1042241331.db2.gz UFMJGQABQXOCLO-QGZVFWFLSA-N 1 0 308.400 4.080 20 30 DIEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000585767189 1042245529 /nfs/dbraw/zinc/24/55/29/1042245529.db2.gz JSFLGLBJOBKRGX-HUUCEWRRSA-N 1 0 310.363 4.481 20 30 DIEDRO N#C[C@H]1CC[C@H](Nc2cc(OCc3ccccc3)cc[nH+]2)CC1 ZINC001167840785 1042254076 /nfs/dbraw/zinc/25/40/76/1042254076.db2.gz IPHZEFIPZNZXBB-JCNLHEQBSA-N 1 0 307.397 4.155 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(COCc3ccco3)c2)C1 ZINC000618562548 1042273033 /nfs/dbraw/zinc/27/30/33/1042273033.db2.gz FLCFOIDQPVUQOG-LPHOPBHVSA-N 1 0 324.424 4.168 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000772858725 1042283738 /nfs/dbraw/zinc/28/37/38/1042283738.db2.gz VQRQDTCNNNZDAY-MOPGFXCFSA-N 1 0 317.379 4.295 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCc2cccc(F)c2C1 ZINC001170986425 1042284751 /nfs/dbraw/zinc/28/47/51/1042284751.db2.gz TYBSMBODMCWBPD-SFHVURJKSA-N 1 0 308.400 4.099 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000822526847 1042288694 /nfs/dbraw/zinc/28/86/94/1042288694.db2.gz ZSPFLWZMRIHQMN-QGZVFWFLSA-N 1 0 318.420 4.153 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822526846 1042288901 /nfs/dbraw/zinc/28/89/01/1042288901.db2.gz ZSPFLWZMRIHQMN-KRWDZBQOSA-N 1 0 318.420 4.153 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1F ZINC000150879378 1042293789 /nfs/dbraw/zinc/29/37/89/1042293789.db2.gz KYMNHKQNGQSIBF-INIZCTEOSA-N 1 0 306.381 4.385 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000162693080 1042294598 /nfs/dbraw/zinc/29/45/98/1042294598.db2.gz NFBYBWZOFDRCBB-RHSMWYFYSA-N 1 0 312.438 4.376 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C(C)C ZINC001136650349 1042306506 /nfs/dbraw/zinc/30/65/06/1042306506.db2.gz XLTCRLKNRSRGKW-OKZBNKHCSA-N 1 0 322.537 4.120 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2c(Cl)cccc2C1)c1cccc(C#N)c1 ZINC001171016929 1042326950 /nfs/dbraw/zinc/32/69/50/1042326950.db2.gz CJYRXVVODLEIBE-SUMWQHHRSA-N 1 0 310.828 4.420 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171023497 1042336147 /nfs/dbraw/zinc/33/61/47/1042336147.db2.gz YJIPHBXAQVABML-FOIQADDNSA-N 1 0 322.839 4.346 20 30 DIEDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000823643769 1042336876 /nfs/dbraw/zinc/33/68/76/1042336876.db2.gz RUTFNAVZMPLZCW-PMACEKPBSA-N 1 0 320.436 4.065 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000534331939 1042404731 /nfs/dbraw/zinc/40/47/31/1042404731.db2.gz UZHZTGBZPCNFGD-HXUWFJFHSA-N 1 0 321.424 4.101 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000573732140 1042412797 /nfs/dbraw/zinc/41/27/97/1042412797.db2.gz ICTJRFBFCPUOIP-IERDGZPVSA-N 1 0 318.420 4.089 20 30 DIEDRO C[C@H]1C[C@H]1C[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047045177 1042416077 /nfs/dbraw/zinc/41/60/77/1042416077.db2.gz IRRPWPXMJXESEP-KKSFZXQISA-N 1 0 315.420 4.088 20 30 DIEDRO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000614159650 1042418126 /nfs/dbraw/zinc/41/81/26/1042418126.db2.gz KWCLGIWCHQHLRA-UHFFFAOYSA-N 1 0 314.379 4.398 20 30 DIEDRO CCC(CC)[N@H+](CCOC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614164680 1042419950 /nfs/dbraw/zinc/41/99/50/1042419950.db2.gz PPLSQXGEJXGNNJ-UHFFFAOYSA-N 1 0 302.462 4.125 20 30 DIEDRO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173026 1042421838 /nfs/dbraw/zinc/42/18/38/1042421838.db2.gz DNHKVJVUCNWQLU-INIZCTEOSA-N 1 0 320.436 4.443 20 30 DIEDRO COc1cccc(C2([NH2+]Cc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000614179149 1042422263 /nfs/dbraw/zinc/42/22/63/1042422263.db2.gz JIZLYXHJBHYRMT-UHFFFAOYSA-N 1 0 320.436 4.275 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000614177565 1042422384 /nfs/dbraw/zinc/42/23/84/1042422384.db2.gz YITHYIIWJVNKOS-IBGZPJMESA-N 1 0 305.425 4.220 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C)c3ccsc32)ccc1C#N ZINC000453247842 1042425727 /nfs/dbraw/zinc/42/57/27/1042425727.db2.gz IDCKVCCYJIXORL-WBMJQRKESA-N 1 0 312.438 4.357 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236974804 1042440802 /nfs/dbraw/zinc/44/08/02/1042440802.db2.gz YHUHODZJULYTAP-HZPDHXFCSA-N 1 0 324.424 4.227 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](CC)c2ccccc2OCC)cc1 ZINC000236990826 1042446865 /nfs/dbraw/zinc/44/68/65/1042446865.db2.gz KQBKBKPTIJZUMG-HXUWFJFHSA-N 1 0 323.436 4.338 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000236988373 1042447228 /nfs/dbraw/zinc/44/72/28/1042447228.db2.gz TYTXAWFECXMXJF-IBGZPJMESA-N 1 0 321.468 4.320 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000430041634 1042464928 /nfs/dbraw/zinc/46/49/28/1042464928.db2.gz ADKDJWZCDNKDRW-UHFFFAOYSA-N 1 0 323.421 4.340 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419328046 1042470183 /nfs/dbraw/zinc/47/01/83/1042470183.db2.gz DJCDLDPWZXVCJB-CQSZACIVSA-N 1 0 306.409 4.295 20 30 DIEDRO CCC#C[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC001167921066 1042473664 /nfs/dbraw/zinc/47/36/64/1042473664.db2.gz PMENXNIVLBHABF-ZDUSSCGKSA-N 1 0 316.832 4.463 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(Cl)cc1 ZINC000182307569 1042482709 /nfs/dbraw/zinc/48/27/09/1042482709.db2.gz AXPIZAFGWNELOY-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO COCC[N@H+](Cc1ccc(C#N)cc1C)[C@@H](C)c1ccccc1 ZINC000614396804 1042489748 /nfs/dbraw/zinc/48/97/48/1042489748.db2.gz PVTVLVOKBQORJV-KRWDZBQOSA-N 1 0 308.425 4.076 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000614396153 1042489856 /nfs/dbraw/zinc/48/98/56/1042489856.db2.gz ZOFCARXZHDSHIQ-ZDUSSCGKSA-N 1 0 300.352 4.338 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2C)C2CC2)cc1 ZINC000614395970 1042490011 /nfs/dbraw/zinc/49/00/11/1042490011.db2.gz HBABTKQQXDIISK-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000614402311 1042491584 /nfs/dbraw/zinc/49/15/84/1042491584.db2.gz RQYUEOIQDTUEJR-SFHVURJKSA-N 1 0 322.477 4.481 20 30 DIEDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)[C@@H](C)CO1 ZINC000614402248 1042491631 /nfs/dbraw/zinc/49/16/31/1042491631.db2.gz OHKICWLYEWOUBT-LAUBAEHRSA-N 1 0 320.436 4.137 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000151139536 1042501222 /nfs/dbraw/zinc/50/12/22/1042501222.db2.gz BAPBEECINCTKTP-BUXKBTBVSA-N 1 0 312.363 4.250 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC#N)cc1 ZINC000729266689 1042517159 /nfs/dbraw/zinc/51/71/59/1042517159.db2.gz AOVQGOILLHDMMP-UHFFFAOYSA-N 1 0 320.845 4.326 20 30 DIEDRO C=C(C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1)c1ccccc1 ZINC000513505449 1042548266 /nfs/dbraw/zinc/54/82/66/1042548266.db2.gz KKGIWITXFFTINL-NRFANRHFSA-N 1 0 307.437 4.319 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccco1 ZINC000513691872 1042570598 /nfs/dbraw/zinc/57/05/98/1042570598.db2.gz XAMDVCPFROSARW-AWEZNQCLSA-N 1 0 303.406 4.016 20 30 DIEDRO C=CCOCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000679576826 1042576207 /nfs/dbraw/zinc/57/62/07/1042576207.db2.gz VXPOBUBYXQHLOQ-GOSISDBHSA-N 1 0 301.817 4.222 20 30 DIEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)ccc1C(F)(F)F ZINC000414448199 1042598112 /nfs/dbraw/zinc/59/81/12/1042598112.db2.gz MOLUMYFELBBTPH-UHFFFAOYSA-N 1 0 310.363 4.433 20 30 DIEDRO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000420935379 1042615181 /nfs/dbraw/zinc/61/51/81/1042615181.db2.gz YBOSNSOAMDUHGO-HZPDHXFCSA-N 1 0 322.493 4.149 20 30 DIEDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000420935796 1042615925 /nfs/dbraw/zinc/61/59/25/1042615925.db2.gz YNOQROHAYACVMB-CVEARBPZSA-N 1 0 322.493 4.149 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513733367 1042617076 /nfs/dbraw/zinc/61/70/76/1042617076.db2.gz QWXGCNVROAFBDU-DLBZAZTESA-N 1 0 322.399 4.184 20 30 DIEDRO CCc1ccc(CC[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000237170997 1042627021 /nfs/dbraw/zinc/62/70/21/1042627021.db2.gz LJOIIRAVMFYZJD-UHFFFAOYSA-N 1 0 322.452 4.264 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1F ZINC000421347417 1042631384 /nfs/dbraw/zinc/63/13/84/1042631384.db2.gz CHYUHEOZTCQKIT-SNVBAGLBSA-N 1 0 306.431 4.332 20 30 DIEDRO C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(C#N)s1 ZINC000421354637 1042631481 /nfs/dbraw/zinc/63/14/81/1042631481.db2.gz XCZHSWDQQGMQNJ-NSHDSACASA-N 1 0 306.381 4.009 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000421370992 1042633409 /nfs/dbraw/zinc/63/34/09/1042633409.db2.gz XJXPSBHQWDEMBS-SMDDNHRTSA-N 1 0 314.326 4.156 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421836738 1042656040 /nfs/dbraw/zinc/65/60/40/1042656040.db2.gz RMXDNQDBVROVPC-AWEZNQCLSA-N 1 0 322.880 4.040 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)s1 ZINC000421895472 1042662093 /nfs/dbraw/zinc/66/20/93/1042662093.db2.gz YOVRTCRQORUMBC-SFHVURJKSA-N 1 0 324.449 4.112 20 30 DIEDRO C=CCN(Cc1ccccc1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000513789411 1042686667 /nfs/dbraw/zinc/68/66/67/1042686667.db2.gz HWXUNQTVNHKELU-INIZCTEOSA-N 1 0 319.408 4.486 20 30 DIEDRO CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000423244284 1042702018 /nfs/dbraw/zinc/70/20/18/1042702018.db2.gz NSNFXJXNRYFZBL-QRWLVFNGSA-N 1 0 307.441 4.032 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(C#N)cc1 ZINC000423412177 1042711256 /nfs/dbraw/zinc/71/12/56/1042711256.db2.gz GZYGJAQATYYWPD-LJQANCHMSA-N 1 0 305.425 4.157 20 30 DIEDRO C[NH+](C)Cc1cc(NCc2cccc(F)c2C#N)ccc1Cl ZINC000600859888 1042721529 /nfs/dbraw/zinc/72/15/29/1042721529.db2.gz HFZHDVWFNGCROK-UHFFFAOYSA-N 1 0 317.795 4.024 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000424293650 1042731741 /nfs/dbraw/zinc/73/17/41/1042731741.db2.gz JBVDHELKZGHGJC-QXEWZRGKSA-N 1 0 306.258 4.297 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000424134776 1042727204 /nfs/dbraw/zinc/72/72/04/1042727204.db2.gz IMALOYXZSLQUGN-IMJJTQAJSA-N 1 0 324.262 4.081 20 30 DIEDRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424199377 1042729358 /nfs/dbraw/zinc/72/93/58/1042729358.db2.gz KTWPVFBJZFYUAJ-UGQYRENISA-N 1 0 308.347 4.391 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OCC ZINC000424200030 1042729499 /nfs/dbraw/zinc/72/94/99/1042729499.db2.gz QSAQJEPBCMWADN-DOTOQJQBSA-N 1 0 316.445 4.046 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](C4CC4)C3)CC2)cc1 ZINC000424201854 1042729596 /nfs/dbraw/zinc/72/95/96/1042729596.db2.gz ILSPHBKVHGXFOI-AZUAARDMSA-N 1 0 323.484 4.085 20 30 DIEDRO C=CCn1cc(C[NH2+][C@H](c2ccc(C)cc2)C2CCCCC2)nn1 ZINC000424290024 1042731764 /nfs/dbraw/zinc/73/17/64/1042731764.db2.gz ARLARXBQXXMBBM-FQEVSTJZSA-N 1 0 324.472 4.184 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000424292121 1042731790 /nfs/dbraw/zinc/73/17/90/1042731790.db2.gz GEWSPGVVARYQTQ-MJVIPROJSA-N 1 0 300.229 4.235 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000424294907 1042732073 /nfs/dbraw/zinc/73/20/73/1042732073.db2.gz LTEGNGAXVFYKMY-ONIAQPFYSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000424299144 1042732135 /nfs/dbraw/zinc/73/21/35/1042732135.db2.gz UZIZYEMYWXATQG-WDSOQIARSA-N 1 0 315.457 4.204 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1csc(-c2ccccc2F)n1 ZINC000424321178 1042733672 /nfs/dbraw/zinc/73/36/72/1042733672.db2.gz GXPQAWPLVMUMAU-FRRDWIJNSA-N 1 0 315.417 4.292 20 30 DIEDRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424331204 1042734665 /nfs/dbraw/zinc/73/46/65/1042734665.db2.gz RVAIWPQJIGEETL-IDCBKMMBSA-N 1 0 312.457 4.244 20 30 DIEDRO C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424331209 1042734669 /nfs/dbraw/zinc/73/46/69/1042734669.db2.gz RVAIWPQJIGEETL-UQQDIPGASA-N 1 0 312.457 4.244 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000424328398 1042734778 /nfs/dbraw/zinc/73/47/78/1042734778.db2.gz OBUNEOSMEDEXLR-HWWQOWPSSA-N 1 0 319.246 4.108 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424358628 1042736845 /nfs/dbraw/zinc/73/68/45/1042736845.db2.gz XMLVWFWUJNLRAT-INIZCTEOSA-N 1 0 313.470 4.346 20 30 DIEDRO C=C(C)C(C)(C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000424742827 1042749966 /nfs/dbraw/zinc/74/99/66/1042749966.db2.gz VLKXUBMKGYPVKS-KRWDZBQOSA-N 1 0 320.521 4.092 20 30 DIEDRO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCO1 ZINC000514212005 1042774827 /nfs/dbraw/zinc/77/48/27/1042774827.db2.gz APNMMXVEJLRDIR-HXUWFJFHSA-N 1 0 320.436 4.226 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCCC2(C[NH+](C)C2)C1 ZINC001269832195 1042776306 /nfs/dbraw/zinc/77/63/06/1042776306.db2.gz IWWNNMLETVNZIF-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C[C@H](CC1CCOCC1)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425365179 1042797650 /nfs/dbraw/zinc/79/76/50/1042797650.db2.gz JESGYVSKBSJDNY-HZPDHXFCSA-N 1 0 300.446 4.004 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1C(C)=CCC[C@@H]1C ZINC000515017419 1042805442 /nfs/dbraw/zinc/80/54/42/1042805442.db2.gz AFRSCMDSLDXUBV-LPHOPBHVSA-N 1 0 303.446 4.142 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)c1 ZINC000515744485 1042833049 /nfs/dbraw/zinc/83/30/49/1042833049.db2.gz KAEIIMURWTXRTQ-FQEVSTJZSA-N 1 0 306.409 4.083 20 30 DIEDRO Cc1ccncc1CCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000517057177 1042864585 /nfs/dbraw/zinc/86/45/85/1042864585.db2.gz JVJWWICXWYCMCO-NHCUHLMSSA-N 1 0 319.452 4.094 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cccc2c1NCCC2)c1ccccc1 ZINC000894357798 1042899292 /nfs/dbraw/zinc/89/92/92/1042899292.db2.gz ADSHFHANXRGIGQ-LJQANCHMSA-N 1 0 305.425 4.179 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnc2onc(C)c2c1)c1ccccc1 ZINC000894358118 1042901606 /nfs/dbraw/zinc/90/16/06/1042901606.db2.gz DRUBIJZUYUEQGJ-SFHVURJKSA-N 1 0 307.397 4.328 20 30 DIEDRO CC1CCN(c2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)CC1 ZINC000108423543 1042911619 /nfs/dbraw/zinc/91/16/19/1042911619.db2.gz HQMDXBLZLJISII-UHFFFAOYSA-N 1 0 319.452 4.084 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(C#N)cc1 ZINC000449076119 1042921208 /nfs/dbraw/zinc/92/12/08/1042921208.db2.gz SMLCGGQRTLAEQK-BONVTDFDSA-N 1 0 316.326 4.314 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000925068845 1042947300 /nfs/dbraw/zinc/94/73/00/1042947300.db2.gz BIUGZIWGLYYCBU-MAUKXSAKSA-N 1 0 300.446 4.072 20 30 DIEDRO COC1CCC(C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000894607525 1042969549 /nfs/dbraw/zinc/96/95/49/1042969549.db2.gz SHIRKKYCGLKBDS-NKELODKYSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000925079091 1042974755 /nfs/dbraw/zinc/97/47/55/1042974755.db2.gz DTQPLXAHBQYVIT-SJORKVTESA-N 1 0 313.489 4.130 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894780627 1042977304 /nfs/dbraw/zinc/97/73/04/1042977304.db2.gz GRWYEFMGCQKPSH-UHFFFAOYSA-N 1 0 307.850 4.369 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC2(CCCO2)CC1 ZINC000519590095 1042981224 /nfs/dbraw/zinc/98/12/24/1042981224.db2.gz SDCJYAUMSKJPLQ-SYYJFZTOSA-N 1 0 310.441 4.017 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC2(CCCO2)CC1 ZINC000519590094 1042981361 /nfs/dbraw/zinc/98/13/61/1042981361.db2.gz SDCJYAUMSKJPLQ-SKINQDTJSA-N 1 0 310.441 4.017 20 30 DIEDRO CC(C)Oc1ccccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000519609431 1042986124 /nfs/dbraw/zinc/98/61/24/1042986124.db2.gz GOSBTGGSRTYALS-IBGZPJMESA-N 1 0 306.409 4.123 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000366795083 1042989833 /nfs/dbraw/zinc/98/98/33/1042989833.db2.gz DOQKOHFDGBTJCF-UHFFFAOYSA-N 1 0 319.452 4.262 20 30 DIEDRO CC(C)[C@@H](NCc1nc(C#N)cs1)c1ccc(Cl)cc1F ZINC000519619149 1042996803 /nfs/dbraw/zinc/99/68/03/1042996803.db2.gz XLXMHUQEELTFRD-OAHLLOKOSA-N 1 0 323.824 4.294 20 30 DIEDRO C[C@H](NCc1ncc(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000519838238 1043005253 /nfs/dbraw/zinc/00/52/53/1043005253.db2.gz QDCYGDKMAAJGOZ-AWEZNQCLSA-N 1 0 303.365 4.064 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441072860 1043019161 /nfs/dbraw/zinc/01/91/61/1043019161.db2.gz XCIBMAPUQPFJRS-LLVKDONJSA-N 1 0 304.381 4.308 20 30 DIEDRO C=CCOc1ccc(CNCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000520210940 1043025926 /nfs/dbraw/zinc/02/59/26/1043025926.db2.gz CWRPXCPLZZRCDM-UHFFFAOYSA-N 1 0 324.896 4.113 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000441330876 1043037016 /nfs/dbraw/zinc/03/70/16/1043037016.db2.gz GKHOSEWZKMYBJO-UHFFFAOYSA-N 1 0 312.457 4.428 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000441332916 1043038343 /nfs/dbraw/zinc/03/83/43/1043038343.db2.gz SGJCIQMHTAYGMR-QRWLVFNGSA-N 1 0 324.399 4.159 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000441332909 1043038568 /nfs/dbraw/zinc/03/85/68/1043038568.db2.gz SGJCIQMHTAYGMR-FOIQADDNSA-N 1 0 324.399 4.159 20 30 DIEDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000441389422 1043043316 /nfs/dbraw/zinc/04/33/16/1043043316.db2.gz VKTDGESMJHKISD-OXJNMPFZSA-N 1 0 320.436 4.225 20 30 DIEDRO CCCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000173956817 1043057457 /nfs/dbraw/zinc/05/74/57/1043057457.db2.gz ILVGFZLNHBONOA-INIZCTEOSA-N 1 0 308.425 4.336 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000174001085 1043058212 /nfs/dbraw/zinc/05/82/12/1043058212.db2.gz PIJYVYMONRIQLC-ORYQWCPZSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(C#N)cc1 ZINC000174039586 1043060010 /nfs/dbraw/zinc/06/00/10/1043060010.db2.gz VRGKVVPFWCMINB-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)o1 ZINC000174358656 1043064688 /nfs/dbraw/zinc/06/46/88/1043064688.db2.gz HMEUIOYKJIWPTH-QGZVFWFLSA-N 1 0 300.789 4.436 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C)cc1O ZINC000794826986 1043065484 /nfs/dbraw/zinc/06/54/84/1043065484.db2.gz GOVRFSGQBYDHDC-MOPGFXCFSA-N 1 0 306.409 4.301 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C)cc1O ZINC000794826988 1043065565 /nfs/dbraw/zinc/06/55/65/1043065565.db2.gz GOVRFSGQBYDHDC-OALUTQOASA-N 1 0 306.409 4.301 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2c1NCCC2 ZINC000895024909 1043070237 /nfs/dbraw/zinc/07/02/37/1043070237.db2.gz KMVAZHZQLLLECE-HXUWFJFHSA-N 1 0 317.436 4.084 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000865451835 1043100262 /nfs/dbraw/zinc/10/02/62/1043100262.db2.gz BPNWXKXAVGUDQS-UHFFFAOYSA-N 1 0 324.424 4.056 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1OC(F)F ZINC000176946635 1043101212 /nfs/dbraw/zinc/10/12/12/1043101212.db2.gz NWAKSWGDVSUAMI-AWEZNQCLSA-N 1 0 322.380 4.462 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000176962725 1043101344 /nfs/dbraw/zinc/10/13/44/1043101344.db2.gz IBCVJYUIJFRRLS-KRWDZBQOSA-N 1 0 300.402 4.390 20 30 DIEDRO CC(C)(C)OCc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000176960452 1043101674 /nfs/dbraw/zinc/10/16/74/1043101674.db2.gz LUCOKBOADJTOMH-UHFFFAOYSA-N 1 0 314.454 4.225 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OC(F)F)cc1 ZINC000176944146 1043101783 /nfs/dbraw/zinc/10/17/83/1043101783.db2.gz GTXMCHMGQCWSMB-SNVBAGLBSA-N 1 0 308.353 4.072 20 30 DIEDRO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000177483229 1043107847 /nfs/dbraw/zinc/10/78/47/1043107847.db2.gz SZGVESMOSJNOBR-MRXNPFEDSA-N 1 0 311.473 4.006 20 30 DIEDRO Cc1cc2c(CC[NH2+]C3CCC(C)(C#N)CC3)c[nH]c2cc1F ZINC000865742632 1043127840 /nfs/dbraw/zinc/12/78/40/1043127840.db2.gz UBVSSGTZNGRDOS-UHFFFAOYSA-N 1 0 313.420 4.220 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000178643545 1043134688 /nfs/dbraw/zinc/13/46/88/1043134688.db2.gz SOJAYXHRALOTFO-KGLIPLIRSA-N 1 0 310.445 4.230 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000049160239 1043134833 /nfs/dbraw/zinc/13/48/33/1043134833.db2.gz NSNHQBJDPQGSQY-KBPBESRZSA-N 1 0 300.427 4.371 20 30 DIEDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000865815420 1043136913 /nfs/dbraw/zinc/13/69/13/1043136913.db2.gz XYPOEGHMZNAERG-UHFFFAOYSA-N 1 0 308.425 4.422 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(N2CCCC2)c1 ZINC000178795123 1043137025 /nfs/dbraw/zinc/13/70/25/1043137025.db2.gz PJYUYLGMSKGGCP-OAHLLOKOSA-N 1 0 323.415 4.148 20 30 DIEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476515 1043165280 /nfs/dbraw/zinc/16/52/80/1043165280.db2.gz KAQKZDHPGKBDLN-YOEHRIQHSA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000866294347 1043175813 /nfs/dbraw/zinc/17/58/13/1043175813.db2.gz HKQULQKLRAZWHV-XOBRGWDASA-N 1 0 324.399 4.141 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000487391074 1043180350 /nfs/dbraw/zinc/18/03/50/1043180350.db2.gz FFLFTPNFEGZENL-SFHVURJKSA-N 1 0 304.437 4.477 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866352116 1043185761 /nfs/dbraw/zinc/18/57/61/1043185761.db2.gz GWLDZJABGGGQSG-MKBNYLNASA-N 1 0 320.820 4.113 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000866428041 1043201196 /nfs/dbraw/zinc/20/11/96/1043201196.db2.gz ZDQRNZZPEDKQGE-ZDUSSCGKSA-N 1 0 323.868 4.034 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1noc2cc(F)ccc21 ZINC000866608690 1043232276 /nfs/dbraw/zinc/23/22/76/1043232276.db2.gz DMENHXCNPYOWKC-QGZVFWFLSA-N 1 0 321.355 4.006 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000866606633 1043233238 /nfs/dbraw/zinc/23/32/38/1043233238.db2.gz DCNKRZQIBOXPGM-RUGDWHBFSA-N 1 0 318.848 4.232 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000866610101 1043234812 /nfs/dbraw/zinc/23/48/12/1043234812.db2.gz QUBOHHGTXFFJHA-BZUAXINKSA-N 1 0 308.347 4.496 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)C1CC1 ZINC000121652503 1043253664 /nfs/dbraw/zinc/25/36/64/1043253664.db2.gz UYVYBNAMHDAKTL-HOTGVXAUSA-N 1 0 301.455 4.269 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000121859902 1043263851 /nfs/dbraw/zinc/26/38/51/1043263851.db2.gz VDMAINGLIDFXMY-AWEZNQCLSA-N 1 0 315.363 4.218 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000121860047 1043264237 /nfs/dbraw/zinc/26/42/37/1043264237.db2.gz VDMAINGLIDFXMY-CQSZACIVSA-N 1 0 315.363 4.218 20 30 DIEDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000193994659 1043288741 /nfs/dbraw/zinc/28/87/41/1043288741.db2.gz BMGUNRJJCLWEAQ-FZKQIMNGSA-N 1 0 314.816 4.250 20 30 DIEDRO COC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000194064482 1043289197 /nfs/dbraw/zinc/28/91/97/1043289197.db2.gz DONXGUBBUPMABV-UGSOOPFHSA-N 1 0 314.816 4.250 20 30 DIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCCSCC#N ZINC000266791015 1043302185 /nfs/dbraw/zinc/30/21/85/1043302185.db2.gz ZQYUBSKIPYZFHF-GFCCVEGCSA-N 1 0 316.392 4.345 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CCSC(C)(C)C)ccc1OC ZINC000237241672 1043332143 /nfs/dbraw/zinc/33/21/43/1043332143.db2.gz CANKXKCVHHBWOC-UHFFFAOYSA-N 1 0 323.502 4.271 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]CC2CCCCC2)ccc1OC ZINC000122840592 1043333496 /nfs/dbraw/zinc/33/34/96/1043333496.db2.gz ZYSSSXVEQDKDST-KRWDZBQOSA-N 1 0 316.445 4.046 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000268881704 1043340623 /nfs/dbraw/zinc/34/06/23/1043340623.db2.gz AZIZIZSACHCMBZ-RDTXWAMCSA-N 1 0 324.424 4.377 20 30 DIEDRO C=CC[N@H+](C/C=C\c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000521090579 1043361841 /nfs/dbraw/zinc/36/18/41/1043361841.db2.gz IUKKIIIQOQUELF-XFFZJAGNSA-N 1 0 308.381 4.296 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OC)c(COCC)c1)c1ccccc1 ZINC000270252914 1043381957 /nfs/dbraw/zinc/38/19/57/1043381957.db2.gz USNLLNLDVXLXBC-HXUWFJFHSA-N 1 0 323.436 4.086 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000442708418 1043407260 /nfs/dbraw/zinc/40/72/60/1043407260.db2.gz IYXUBYCLZYLPIO-LPHOPBHVSA-N 1 0 306.409 4.047 20 30 DIEDRO COc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442776440 1043416949 /nfs/dbraw/zinc/41/69/49/1043416949.db2.gz HKRBBXUWNMIHMC-IRXDYDNUSA-N 1 0 322.408 4.269 20 30 DIEDRO CCC(CC)(C[NH2+][C@@H]1CC[C@H](C#N)C1)N[C@H](C)c1ccccc1 ZINC000442774351 1043417005 /nfs/dbraw/zinc/41/70/05/1043417005.db2.gz AHCHZIRRDYCZLI-ZIFCJYIRSA-N 1 0 313.489 4.178 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442783679 1043418603 /nfs/dbraw/zinc/41/86/03/1043418603.db2.gz NSEMSDYUXNDLHW-SWLSCSKDSA-N 1 0 310.363 4.265 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000442786445 1043420846 /nfs/dbraw/zinc/42/08/46/1043420846.db2.gz XJSRQKRQTQLZJM-HOTGVXAUSA-N 1 0 300.471 4.373 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000271453138 1043422071 /nfs/dbraw/zinc/42/20/71/1043422071.db2.gz GKEHJCOMHOHMLB-VQIMIIECSA-N 1 0 323.436 4.427 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](COc2ccccc2)c2ccccc2)C1 ZINC000442860607 1043436599 /nfs/dbraw/zinc/43/65/99/1043436599.db2.gz LHPJJKVTNPIJML-KPFFTGBYSA-N 1 0 306.409 4.089 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(OCCOC)cc1)c1ccccc1 ZINC000271557467 1043437160 /nfs/dbraw/zinc/43/71/60/1043437160.db2.gz SZXCSYYTYHBSLC-LAUBAEHRSA-N 1 0 323.436 4.127 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H]1CCCc2nc(CC)sc21)c1ccccc1 ZINC000271573601 1043439760 /nfs/dbraw/zinc/43/97/60/1043439760.db2.gz WAHVBVAASFOMSV-HZPDHXFCSA-N 1 0 310.466 4.437 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)cc1 ZINC000442870272 1043441433 /nfs/dbraw/zinc/44/14/33/1043441433.db2.gz UWJPAEIGSRFANQ-VQIMIIECSA-N 1 0 306.409 4.144 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000442873278 1043441788 /nfs/dbraw/zinc/44/17/88/1043441788.db2.gz KEXQGPIVMVVQEA-QQGUTBHFSA-N 1 0 312.457 4.074 20 30 DIEDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000558117307 1043442601 /nfs/dbraw/zinc/44/26/01/1043442601.db2.gz PJGIYCXRWBQFEI-HNAYVOBHSA-N 1 0 310.828 4.170 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1ccccc1 ZINC000925637906 1043443260 /nfs/dbraw/zinc/44/32/60/1043443260.db2.gz UQEXLWIEULFKBB-ZWKOTPCHSA-N 1 0 310.828 4.467 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000442854044 1043443853 /nfs/dbraw/zinc/44/38/53/1043443853.db2.gz VPHVNDGCTMDLAY-SWHYSGLUSA-N 1 0 300.299 4.101 20 30 DIEDRO CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)[C@H]1CCCOC1 ZINC000872073713 1043449479 /nfs/dbraw/zinc/44/94/79/1043449479.db2.gz QVFCGKTWNSSCJP-GBESFXJTSA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1cccc([C@H]([NH2+][C@H](C)CC(C)(C)C#N)c2ccccn2)c1 ZINC000925662676 1043450356 /nfs/dbraw/zinc/45/03/56/1043450356.db2.gz LMEUCJMNEJWYMI-APWZRJJASA-N 1 0 307.441 4.397 20 30 DIEDRO COCc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000339237647 1043457274 /nfs/dbraw/zinc/45/72/74/1043457274.db2.gz QXLYTUPEOLRAFP-HXUWFJFHSA-N 1 0 308.425 4.358 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000872102735 1043458648 /nfs/dbraw/zinc/45/86/48/1043458648.db2.gz SMJWXYDKZOXZJI-KRWDZBQOSA-N 1 0 300.446 4.066 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000872106433 1043460207 /nfs/dbraw/zinc/46/02/07/1043460207.db2.gz GKUYLZDPQYNMQV-UHFFFAOYSA-N 1 0 302.365 4.329 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(C#N)c(OC)c1 ZINC000443060028 1043474615 /nfs/dbraw/zinc/47/46/15/1043474615.db2.gz FERUZFWXNBLVAJ-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO COc1cc(C[N@H+](C)C/C(C)=C/c2ccccc2)ccc1C#N ZINC000443066918 1043474843 /nfs/dbraw/zinc/47/48/43/1043474843.db2.gz IRMUAFRLHVGEII-LFIBNONCSA-N 1 0 306.409 4.102 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000872139559 1043477454 /nfs/dbraw/zinc/47/74/54/1043477454.db2.gz MCINXNWPIJSBHU-CDHQVMDDSA-N 1 0 308.400 4.092 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc(CF)cc3)CC2)c1 ZINC000777578135 1043485348 /nfs/dbraw/zinc/48/53/48/1043485348.db2.gz YNBHXHAHXGWHSX-UHFFFAOYSA-N 1 0 324.399 4.071 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c(Cl)c1 ZINC000872280257 1043490955 /nfs/dbraw/zinc/49/09/55/1043490955.db2.gz KPVXGPUPZGBWIP-KRWDZBQOSA-N 1 0 318.848 4.135 20 30 DIEDRO C=C(C)C[N@@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521859889 1043495081 /nfs/dbraw/zinc/49/50/81/1043495081.db2.gz XOCJVLMYPVZPOS-ZDUSSCGKSA-N 1 0 301.352 4.291 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000558467468 1043516026 /nfs/dbraw/zinc/51/60/26/1043516026.db2.gz WNGMJCNLHKBWAP-VHSSKADRSA-N 1 0 308.416 4.044 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001204983397 1043523623 /nfs/dbraw/zinc/52/36/23/1043523623.db2.gz ACXOXIGHAHSSGE-UONOGXRCSA-N 1 0 310.844 4.392 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H](O)c1ccccc1 ZINC000873197290 1043527384 /nfs/dbraw/zinc/52/73/84/1043527384.db2.gz XZKGMLPFMAZZHM-PMACEKPBSA-N 1 0 322.452 4.090 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000558567282 1043541729 /nfs/dbraw/zinc/54/17/29/1043541729.db2.gz RSZIDLMCZZBNHG-IAGOWNOFSA-N 1 0 311.454 4.091 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](Cc1ccccn1)c1ccccc1 ZINC000926212212 1043546418 /nfs/dbraw/zinc/54/64/18/1043546418.db2.gz CHYJSXMGMVKVBO-LPHOPBHVSA-N 1 0 307.441 4.283 20 30 DIEDRO C=C(C)[C@H](N[C@@H](C)c1cc(OC)ccn1)c1ccc(F)c(F)c1 ZINC000926206524 1043546654 /nfs/dbraw/zinc/54/66/54/1043546654.db2.gz NJRDRZCCPNSRRN-SGTLLEGYSA-N 1 0 318.367 4.336 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000926342285 1043566199 /nfs/dbraw/zinc/56/61/99/1043566199.db2.gz JOEUGIHCZAALII-HKBOAZHASA-N 1 0 322.452 4.050 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000926344119 1043568340 /nfs/dbraw/zinc/56/83/40/1043568340.db2.gz VCTAQNHHDILHCB-GYSYKLTISA-N 1 0 319.392 4.399 20 30 DIEDRO CCC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ncccc1Cl ZINC000926355447 1043569571 /nfs/dbraw/zinc/56/95/71/1043569571.db2.gz HREHEUQIUQLTOG-ZBCRRDGASA-N 1 0 305.853 4.496 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(-c2ccccc2)no1 ZINC000926355025 1043569660 /nfs/dbraw/zinc/56/96/60/1043569660.db2.gz AJLCYHFAUNCOSC-QQFBHYJXSA-N 1 0 309.413 4.322 20 30 DIEDRO Cc1cccc([C@@H]([NH2+]CC2CCC(C#N)CC2)c2ccccn2)c1 ZINC000926356267 1043569753 /nfs/dbraw/zinc/56/97/53/1043569753.db2.gz JWJJHJTUTBTUQF-WIXQSORDSA-N 1 0 319.452 4.399 20 30 DIEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H](C)CCC=C(C)C ZINC001275067108 1043569782 /nfs/dbraw/zinc/56/97/82/1043569782.db2.gz OGAYUIQMEHYFSJ-AZUAARDMSA-N 1 0 318.505 4.012 20 30 DIEDRO C=C(C)CN1CC[C@]2(CCC[N@H+]2C[C@@H](C)CCC=C(C)C)C1=O ZINC001275068307 1043571051 /nfs/dbraw/zinc/57/10/51/1043571051.db2.gz GGRDFUVYCHVCSO-AZUAARDMSA-N 1 0 318.505 4.012 20 30 DIEDRO C=CCN1CC2(CCC1=O)CC[NH+](C[C@H](CC)CCCC)CC2 ZINC001275082624 1043571665 /nfs/dbraw/zinc/57/16/65/1043571665.db2.gz OORVIARSIKHFBF-GOSISDBHSA-N 1 0 320.521 4.093 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)cc1Cl ZINC000926370357 1043572130 /nfs/dbraw/zinc/57/21/30/1043572130.db2.gz PRAXEPLSNDXYPS-OAHLLOKOSA-N 1 0 318.207 4.037 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C[C@@H](CC)CCCC)CC2)C1=O ZINC001275081730 1043572378 /nfs/dbraw/zinc/57/23/78/1043572378.db2.gz IGBHEPXMJZQAMA-ICSRJNTNSA-N 1 0 320.521 4.093 20 30 DIEDRO C=C(C)CN1CCC2(CC[NH+](C[C@@H](CC)CCCC)CC2)C1=O ZINC001275081949 1043572753 /nfs/dbraw/zinc/57/27/53/1043572753.db2.gz JUFAMLARCIOSFF-SFHVURJKSA-N 1 0 320.521 4.093 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000926407099 1043573401 /nfs/dbraw/zinc/57/34/01/1043573401.db2.gz RTSWWWGIONSYMZ-UKRRQHHQSA-N 1 0 304.434 4.073 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CC(C)C)C2 ZINC001275115296 1043575641 /nfs/dbraw/zinc/57/56/41/1043575641.db2.gz UPQWPVIYGVOZRW-IBGZPJMESA-N 1 0 308.510 4.070 20 30 DIEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC[C@@H](C)CCC=C(C)C ZINC001275123336 1043576690 /nfs/dbraw/zinc/57/66/90/1043576690.db2.gz DPQGQMWCYZIYEO-IPMKNSEASA-N 1 0 318.505 4.010 20 30 DIEDRO COc1ccccc1[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccn1 ZINC000926426832 1043576905 /nfs/dbraw/zinc/57/69/05/1043576905.db2.gz QFTYFGHEAFGKRA-LJQANCHMSA-N 1 0 323.440 4.099 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000124964611 1043578809 /nfs/dbraw/zinc/57/88/09/1043578809.db2.gz CUCRLNYSVLDOHP-FXAWDEMLSA-N 1 0 320.436 4.185 20 30 DIEDRO Cc1cc(C)cc([C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2cccnc2)c1 ZINC000926513436 1043591634 /nfs/dbraw/zinc/59/16/34/1043591634.db2.gz UXBJHIZFBHZVKS-YYWHXJBOSA-N 1 0 319.452 4.460 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1O ZINC000353261756 1043595413 /nfs/dbraw/zinc/59/54/13/1043595413.db2.gz UVNDSAAOJIKTTA-YOEHRIQHSA-N 1 0 310.397 4.096 20 30 DIEDRO C=CCC1([NH2+]Cc2cc3ccnc(Cl)c3s2)CCOCC1 ZINC000895261636 1043598138 /nfs/dbraw/zinc/59/81/38/1043598138.db2.gz WAMBXYHESMHQCQ-UHFFFAOYSA-N 1 0 322.861 4.165 20 30 DIEDRO COc1ccc([C@H](N[C@H](C)CC(C)(C)C#N)c2ccco2)cc1 ZINC000926549986 1043598680 /nfs/dbraw/zinc/59/86/80/1043598680.db2.gz IEEFFYQZHNWZCL-KDOFPFPSSA-N 1 0 312.413 4.296 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(OC)n1 ZINC000926599013 1043605658 /nfs/dbraw/zinc/60/56/58/1043605658.db2.gz DGMWDXGSEYYOOI-ROUUACIJSA-N 1 0 321.424 4.080 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cnn(C2CCC2)c1 ZINC000926599384 1043606405 /nfs/dbraw/zinc/60/64/05/1043606405.db2.gz FYDBHFQTWKKLMK-JLTOFOAXSA-N 1 0 320.440 4.208 20 30 DIEDRO CCc1ccc([C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccnc2)cc1 ZINC000926614394 1043607925 /nfs/dbraw/zinc/60/79/25/1043607925.db2.gz JZCUCSVAJRTCJV-PWIZWCRZSA-N 1 0 305.425 4.015 20 30 DIEDRO N#CC1(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CCC1 ZINC000926627005 1043609321 /nfs/dbraw/zinc/60/93/21/1043609321.db2.gz MWWWHLFEMBENMU-UHFFFAOYSA-N 1 0 316.289 4.323 20 30 DIEDRO C[C@H]1CCCCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000353513034 1043611775 /nfs/dbraw/zinc/61/17/75/1043611775.db2.gz VVGSOJSFZVHSSG-KRWDZBQOSA-N 1 0 322.456 4.228 20 30 DIEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926712576 1043621114 /nfs/dbraw/zinc/62/11/14/1043621114.db2.gz SPEQKZKAPXHPDF-HNNXBMFYSA-N 1 0 300.446 4.039 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000353589606 1043621276 /nfs/dbraw/zinc/62/12/76/1043621276.db2.gz RASJOUQWHKSUJZ-OAHLLOKOSA-N 1 0 324.346 4.320 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(OC)cc1 ZINC000353621651 1043625724 /nfs/dbraw/zinc/62/57/24/1043625724.db2.gz LABOIEHVEBTATK-LJQANCHMSA-N 1 0 324.424 4.206 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccsc1 ZINC000353663790 1043629341 /nfs/dbraw/zinc/62/93/41/1043629341.db2.gz UYKHZDPMURDLBZ-MRXNPFEDSA-N 1 0 300.427 4.259 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCc1nccs1 ZINC000353652618 1043629622 /nfs/dbraw/zinc/62/96/22/1043629622.db2.gz BHLVHMRTACBNFN-KRWDZBQOSA-N 1 0 311.454 4.005 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOc3cc(F)ccc31)CC2 ZINC000353682572 1043632066 /nfs/dbraw/zinc/63/20/66/1043632066.db2.gz XTTWORJLNHXCQQ-RBUKOAKNSA-N 1 0 322.383 4.188 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895337339 1043641821 /nfs/dbraw/zinc/64/18/21/1043641821.db2.gz ILXBHJRQTMKOIT-NSHDSACASA-N 1 0 304.381 4.036 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1C ZINC000926901734 1043652622 /nfs/dbraw/zinc/65/26/22/1043652622.db2.gz ADNXXYXLZILKLM-HOTGVXAUSA-N 1 0 324.424 4.318 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000353916651 1043656685 /nfs/dbraw/zinc/65/66/85/1043656685.db2.gz RAJNOQZQNYMIMK-IBGZPJMESA-N 1 0 324.424 4.229 20 30 DIEDRO COc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1OC ZINC000353915258 1043656737 /nfs/dbraw/zinc/65/67/37/1043656737.db2.gz MSEYENZWIMJEPZ-GOSISDBHSA-N 1 0 324.424 4.229 20 30 DIEDRO N#CCCC[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000353915287 1043657107 /nfs/dbraw/zinc/65/71/07/1043657107.db2.gz NDBPJGPADUOFPI-FQEVSTJZSA-N 1 0 318.420 4.487 20 30 DIEDRO C=C1CCC(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000926926186 1043657456 /nfs/dbraw/zinc/65/74/56/1043657456.db2.gz IYVSYBFDIYIBNZ-CQSZACIVSA-N 1 0 316.445 4.051 20 30 DIEDRO COc1ccc(OC)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000353915775 1043657750 /nfs/dbraw/zinc/65/77/50/1043657750.db2.gz NICDFYPTVXYSPH-IBGZPJMESA-N 1 0 324.424 4.229 20 30 DIEDRO CC(=O)Nc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000353918579 1043660287 /nfs/dbraw/zinc/66/02/87/1043660287.db2.gz YRAXAGQTGKIFNE-HXUWFJFHSA-N 1 0 321.424 4.170 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1C#N ZINC000926966221 1043663411 /nfs/dbraw/zinc/66/34/11/1043663411.db2.gz IMHORXPIBJLSPA-LRDDRELGSA-N 1 0 310.372 4.050 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1C#N ZINC000926966192 1043663486 /nfs/dbraw/zinc/66/34/86/1043663486.db2.gz IEWOYPZVRBTHNR-KRWDZBQOSA-N 1 0 312.413 4.333 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1C#N ZINC000926963394 1043664093 /nfs/dbraw/zinc/66/40/93/1043664093.db2.gz DWBJBOLTCCYESA-IBGZPJMESA-N 1 0 318.420 4.403 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)CCS2 ZINC000926967645 1043664449 /nfs/dbraw/zinc/66/44/49/1043664449.db2.gz WFHXNNOMDBKUOH-SFHVURJKSA-N 1 0 324.449 4.202 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1[C@H](c3ccccc3)C1(F)F)CC2 ZINC000926975247 1043666135 /nfs/dbraw/zinc/66/61/35/1043666135.db2.gz AJECSRPYIFYRMG-FHWLQOOXSA-N 1 0 324.374 4.184 20 30 DIEDRO C=CC[N@@H+](CCCc1ccc(C)nc1)Cc1ccc(OC)cc1 ZINC000474154337 1043666467 /nfs/dbraw/zinc/66/64/67/1043666467.db2.gz QXEMGTIGBDBDDI-UHFFFAOYSA-N 1 0 310.441 4.019 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@H]1CCCO1 ZINC000926979118 1043667080 /nfs/dbraw/zinc/66/70/80/1043667080.db2.gz WZLRUBKAPZCGQU-MLHJIOFPSA-N 1 0 321.411 4.139 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@@H]1CCCO1 ZINC000926979116 1043667212 /nfs/dbraw/zinc/66/72/12/1043667212.db2.gz WZLRUBKAPZCGQU-MHORFTMASA-N 1 0 321.411 4.139 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCc2cccnc21 ZINC000927060691 1043675886 /nfs/dbraw/zinc/67/58/86/1043675886.db2.gz DQECMKUYMQXJNQ-WOJBJXKFSA-N 1 0 317.436 4.388 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCc2cccnc21 ZINC000927063318 1043677795 /nfs/dbraw/zinc/67/77/95/1043677795.db2.gz DQECMKUYMQXJNQ-PMACEKPBSA-N 1 0 317.436 4.388 20 30 DIEDRO CC(C)[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000927072557 1043683166 /nfs/dbraw/zinc/68/31/66/1043683166.db2.gz XHYKVMHXJWVITQ-VQTJNVASSA-N 1 0 322.456 4.046 20 30 DIEDRO C=CCCC[N@@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000474168212 1043685201 /nfs/dbraw/zinc/68/52/01/1043685201.db2.gz GVUVDQUTGXOKEA-UHFFFAOYSA-N 1 0 321.461 4.279 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1ccc(C#N)cc1F ZINC000927115809 1043691086 /nfs/dbraw/zinc/69/10/86/1043691086.db2.gz LZSCKDZWEULAGZ-VLIAUNLRSA-N 1 0 324.399 4.052 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCC(OCC)CC1)c1ccc(Cl)cc1F ZINC000825885247 1043691776 /nfs/dbraw/zinc/69/17/76/1043691776.db2.gz DWQRKUOXCBPRFH-MQBCKMQZSA-N 1 0 309.812 4.091 20 30 DIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1SC1CCCC1 ZINC000876599392 1043700881 /nfs/dbraw/zinc/70/08/81/1043700881.db2.gz ZQXXULCLLYHFBB-CYBMUJFWSA-N 1 0 324.877 4.130 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000876722146 1043706278 /nfs/dbraw/zinc/70/62/78/1043706278.db2.gz PEXGSXPSIRACGJ-KSSFIOAISA-N 1 0 320.864 4.025 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2cccc(F)c2C#N)C(C)C)cc1 ZINC000428293317 1043720141 /nfs/dbraw/zinc/72/01/41/1043720141.db2.gz ANDQYGHBXABRQX-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CC1(F)F ZINC000877050396 1043736864 /nfs/dbraw/zinc/73/68/64/1043736864.db2.gz ZPGCWJKFEDDVKD-ABAIWWIYSA-N 1 0 318.392 4.420 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000877048172 1043737317 /nfs/dbraw/zinc/73/73/17/1043737317.db2.gz JBGDMGPPXHVKAE-CQSZACIVSA-N 1 0 309.438 4.316 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cccc(OC(F)(F)F)c1 ZINC000877093589 1043742803 /nfs/dbraw/zinc/74/28/03/1043742803.db2.gz KBUMNWGCCZHHKI-LKSINWNRSA-N 1 0 312.335 4.318 20 30 DIEDRO N#CCOc1ccc(C[NH+]2CCC(c3cccs3)CC2)cc1 ZINC001137119419 1043757483 /nfs/dbraw/zinc/75/74/83/1043757483.db2.gz MZRNPESHUNPBEL-UHFFFAOYSA-N 1 0 312.438 4.030 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000877475519 1043763276 /nfs/dbraw/zinc/76/32/76/1043763276.db2.gz RSRARYLOPBWBQS-GXFFZTMASA-N 1 0 313.228 4.346 20 30 DIEDRO Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000777702766 1043767110 /nfs/dbraw/zinc/76/71/10/1043767110.db2.gz SYJHHIYXTLNMRE-AWEZNQCLSA-N 1 0 311.404 4.241 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000877551350 1043774289 /nfs/dbraw/zinc/77/42/89/1043774289.db2.gz ZWGWCNCYBITISS-ZJUUUORDSA-N 1 0 319.758 4.344 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877563287 1043776118 /nfs/dbraw/zinc/77/61/18/1043776118.db2.gz LCCVGPDEUVQUEU-QWRGUYRKSA-N 1 0 305.834 4.122 20 30 DIEDRO C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cc(C#N)ccc1F ZINC000025438990 1043779048 /nfs/dbraw/zinc/77/90/48/1043779048.db2.gz MONDDDBDDDABCO-NSHDSACASA-N 1 0 304.315 4.169 20 30 DIEDRO Cc1cccc2c1CCC[C@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877640753 1043784688 /nfs/dbraw/zinc/78/46/88/1043784688.db2.gz RRECUYJDIJQXSC-QGZVFWFLSA-N 1 0 311.816 4.082 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000877661184 1043786533 /nfs/dbraw/zinc/78/65/33/1043786533.db2.gz XHAJBPNRZIBTBR-SUMWQHHRSA-N 1 0 318.848 4.016 20 30 DIEDRO CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]C1CCC(C#N)CC1 ZINC000877684576 1043789419 /nfs/dbraw/zinc/78/94/19/1043789419.db2.gz XTRFYIZTPYNTEK-IIIMJFFVSA-N 1 0 309.457 4.171 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000877735566 1043792154 /nfs/dbraw/zinc/79/21/54/1043792154.db2.gz XQGNJJNAJUUDRY-UHFFFAOYSA-N 1 0 301.192 4.304 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CC1(c2ccc(Br)cc2)CC1 ZINC000877806215 1043800876 /nfs/dbraw/zinc/80/08/76/1043800876.db2.gz WBVRLVFKNMXUEX-ZDUSSCGKSA-N 1 0 321.262 4.010 20 30 DIEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237351758 1043802601 /nfs/dbraw/zinc/80/26/01/1043802601.db2.gz PKZGODGKGPDTSW-SJORKVTESA-N 1 0 300.446 4.285 20 30 DIEDRO N#Cc1csc(CN2CCC[C@@H]2CCCc2ccccc2)n1 ZINC000356130889 1043815332 /nfs/dbraw/zinc/81/53/32/1043815332.db2.gz FKNZVPHRRZYWJR-KRWDZBQOSA-N 1 0 311.454 4.002 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H](C)c1ccccc1)c1ccccc1 ZINC000877917870 1043822186 /nfs/dbraw/zinc/82/21/86/1043822186.db2.gz IBUXJSRDESMLLF-DYESRHJHSA-N 1 0 320.436 4.120 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000877917871 1043822997 /nfs/dbraw/zinc/82/29/97/1043822997.db2.gz IBUXJSRDESMLLF-LAUBAEHRSA-N 1 0 320.436 4.120 20 30 DIEDRO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(Cl)cc(C#N)c2)s1 ZINC000929602359 1043827678 /nfs/dbraw/zinc/82/76/78/1043827678.db2.gz ZHAUTABVCOWIMW-LLVKDONJSA-N 1 0 319.861 4.478 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000929668388 1043833459 /nfs/dbraw/zinc/83/34/59/1043833459.db2.gz HTWCFZZRRVZYQP-HTWSVDAQSA-N 1 0 300.471 4.106 20 30 DIEDRO N#CCC1(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000878182188 1043853263 /nfs/dbraw/zinc/85/32/63/1043853263.db2.gz BVHSNYCZWJFBLI-OALUTQOASA-N 1 0 312.457 4.049 20 30 DIEDRO N#CCC1(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000878175157 1043854925 /nfs/dbraw/zinc/85/49/25/1043854925.db2.gz XVLDFJXKPCIZFO-CVEARBPZSA-N 1 0 318.486 4.110 20 30 DIEDRO CC(C)([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000929950397 1043859456 /nfs/dbraw/zinc/85/94/56/1043859456.db2.gz LXJXVSAJLGRMPL-UHFFFAOYSA-N 1 0 320.223 4.285 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)C(C)C ZINC000929979514 1043862583 /nfs/dbraw/zinc/86/25/83/1043862583.db2.gz FUWUPAALSKCWJQ-KRWDZBQOSA-N 1 0 313.832 4.402 20 30 DIEDRO Cc1cccc(NC2CC[NH+](CC3CCC(C#N)CC3)CC2)c1 ZINC000929995851 1043862622 /nfs/dbraw/zinc/86/26/22/1043862622.db2.gz UOBUTWDIKNBGDT-UHFFFAOYSA-N 1 0 311.473 4.201 20 30 DIEDRO Cc1nc2sccn2c1C[N@H+](C)CCCCC1(C#N)CCC1 ZINC000930026355 1043868504 /nfs/dbraw/zinc/86/85/04/1043868504.db2.gz DUNGCGONRFEAQC-UHFFFAOYSA-N 1 0 316.474 4.000 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@H+]1CC=C(C(C)(C)C)CC1)c1ccccc1 ZINC000878306580 1043871076 /nfs/dbraw/zinc/87/10/76/1043871076.db2.gz FINZFWBKOCLYCN-NRFANRHFSA-N 1 0 324.468 4.105 20 30 DIEDRO C[N@H+](CCCCC1(C#N)CCC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000930041577 1043871092 /nfs/dbraw/zinc/87/10/92/1043871092.db2.gz AQPNKVODCJAREY-UHFFFAOYSA-N 1 0 322.456 4.373 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C[C@@H]3CC[C@@H](c4ccccc4)O3)CC2)c1 ZINC000878364174 1043879070 /nfs/dbraw/zinc/87/90/70/1043879070.db2.gz DZMQIVXTYOXWHJ-PMACEKPBSA-N 1 0 318.420 4.057 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCOc2ccccc2C#N)cc1 ZINC000561083114 1043882481 /nfs/dbraw/zinc/88/24/81/1043882481.db2.gz SSVHTIHCJKDKKL-MRXNPFEDSA-N 1 0 324.424 4.075 20 30 DIEDRO C#CCCCCC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000878427700 1043892177 /nfs/dbraw/zinc/89/21/77/1043892177.db2.gz NQYMWYGCUBGPIQ-OALUTQOASA-N 1 0 303.421 4.171 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474706505 1043894917 /nfs/dbraw/zinc/89/49/17/1043894917.db2.gz HBHRHXLSDZYHGJ-HOTGVXAUSA-N 1 0 320.908 4.462 20 30 DIEDRO N#Cc1cncc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000930229851 1043900934 /nfs/dbraw/zinc/90/09/34/1043900934.db2.gz FJKOKBKWCOGOPF-UHFFFAOYSA-N 1 0 311.816 4.166 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CCC1 ZINC000930299676 1043910162 /nfs/dbraw/zinc/91/01/62/1043910162.db2.gz IILLPFDVIXHWHE-QRVBRYPASA-N 1 0 318.505 4.256 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CCC1 ZINC000930299674 1043910297 /nfs/dbraw/zinc/91/02/97/1043910297.db2.gz IILLPFDVIXHWHE-IPMKNSEASA-N 1 0 318.505 4.256 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1scnc1Cl)c1ccccc1 ZINC000878648946 1043911552 /nfs/dbraw/zinc/91/15/52/1043911552.db2.gz TYCDNKOOJMOWCR-CYBMUJFWSA-N 1 0 305.834 4.321 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000522469888 1043911806 /nfs/dbraw/zinc/91/18/06/1043911806.db2.gz SQRVCWIPPXZYQC-FUHWJXTLSA-N 1 0 315.420 4.189 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCCC1(C#N)CCC1)[C@@H](O)c1ccccc1 ZINC000930436628 1043926162 /nfs/dbraw/zinc/92/61/62/1043926162.db2.gz HMKVVMCFPDQOMB-MOPGFXCFSA-N 1 0 314.473 4.198 20 30 DIEDRO C=CCC1([NH2+]Cc2coc(-c3ccccc3OC)n2)CCCC1 ZINC000878954364 1043930799 /nfs/dbraw/zinc/93/07/99/1043930799.db2.gz UXEHKAMKEPXNOY-UHFFFAOYSA-N 1 0 312.413 4.329 20 30 DIEDRO N#CCCC[C@@H]([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccccc1 ZINC000930567847 1043942804 /nfs/dbraw/zinc/94/28/04/1043942804.db2.gz BPNPRAKMLQPSDO-XLNGHYISSA-N 1 0 304.384 4.302 20 30 DIEDRO CC[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccc(OC)c1OC ZINC000879464558 1043968205 /nfs/dbraw/zinc/96/82/05/1043968205.db2.gz NJMZAJNNWVCCPF-OAHLLOKOSA-N 1 0 304.434 4.074 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C)c1cccc(OC)c1OC ZINC000879466567 1043968295 /nfs/dbraw/zinc/96/82/95/1043968295.db2.gz UIPIZMCQGNEFSM-SFHVURJKSA-N 1 0 324.424 4.125 20 30 DIEDRO N#CCC[C@H](C#N)CN1CCC(Cc2ccccc2Cl)CC1 ZINC000879547659 1043972008 /nfs/dbraw/zinc/97/20/08/1043972008.db2.gz BFRKEVDLHDBLEP-MRXNPFEDSA-N 1 0 315.848 4.038 20 30 DIEDRO C=CC[C@H](CO)C[NH2+]Cc1c(Cl)cccc1SC(C)C ZINC000474893216 1043972194 /nfs/dbraw/zinc/97/21/94/1043972194.db2.gz CKOXGKOXFJPUQQ-ZDUSSCGKSA-N 1 0 313.894 4.115 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccccn1 ZINC000896666023 1043977574 /nfs/dbraw/zinc/97/75/74/1043977574.db2.gz VMOGOJUVVBKPAW-QGZVFWFLSA-N 1 0 323.440 4.031 20 30 DIEDRO CC[C@H](C)n1ncc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000329496467 1043991566 /nfs/dbraw/zinc/99/15/66/1043991566.db2.gz JATNAKOYUMTNDA-ZFWWWQNUSA-N 1 0 306.454 4.015 20 30 DIEDRO Cc1csc([C@H]2CC[N@H+](CCC3(C#N)CCCCC3)C2)n1 ZINC000880011153 1044006497 /nfs/dbraw/zinc/00/64/97/1044006497.db2.gz ICGQCVDFCGGJNZ-HNNXBMFYSA-N 1 0 303.475 4.105 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(Br)cc1C#N)C1CCC1 ZINC000561870285 1044016134 /nfs/dbraw/zinc/01/61/34/1044016134.db2.gz QGVCHHIITRDBPT-UHFFFAOYSA-N 1 0 307.235 4.084 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnc(Cl)cn1)c1ccccc1 ZINC000880390263 1044036302 /nfs/dbraw/zinc/03/63/02/1044036302.db2.gz PUECFCHWOUDXAW-MRXNPFEDSA-N 1 0 301.821 4.317 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552334 1044049341 /nfs/dbraw/zinc/04/93/41/1044049341.db2.gz SHSOKGZHUFIVHW-GOSISDBHSA-N 1 0 311.473 4.191 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000358293302 1044049717 /nfs/dbraw/zinc/04/97/17/1044049717.db2.gz YAMBHHZVKQILGD-LBPRGKRZSA-N 1 0 322.499 4.423 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000358362191 1044058855 /nfs/dbraw/zinc/05/88/55/1044058855.db2.gz DWCNGCMDHOEASK-OAHLLOKOSA-N 1 0 311.878 4.449 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000562199104 1044082350 /nfs/dbraw/zinc/08/23/50/1044082350.db2.gz MNMDHXAICSBCQQ-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000562204472 1044082392 /nfs/dbraw/zinc/08/23/92/1044082392.db2.gz CPSOSKQGFNVRAT-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO CN(Cc1ccccc1F)Cc1ccc(C#N)cc1C(F)(F)F ZINC000562575523 1044133773 /nfs/dbraw/zinc/13/37/73/1044133773.db2.gz HWUKPERZTRCWMJ-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H](C)Oc2ccccc2Cl)ccc1C#N ZINC000444000199 1044150927 /nfs/dbraw/zinc/15/09/27/1044150927.db2.gz GCXZCALFPYDUTR-AWEZNQCLSA-N 1 0 314.816 4.077 20 30 DIEDRO C=CC[N@@H+](CCCCOC(C)(C)C)Cc1cccc(C#N)c1 ZINC000475050681 1044153929 /nfs/dbraw/zinc/15/39/29/1044153929.db2.gz XAKABWUHQBVWIC-UHFFFAOYSA-N 1 0 300.446 4.142 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OC ZINC000129504471 1044158597 /nfs/dbraw/zinc/15/85/97/1044158597.db2.gz WBNLWDVNGGUDSB-YJBOKZPZSA-N 1 0 324.424 4.227 20 30 DIEDRO Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]CCCC#N ZINC000346839404 1044160136 /nfs/dbraw/zinc/16/01/36/1044160136.db2.gz SPEFWXBUGBFBSZ-QGZVFWFLSA-N 1 0 300.446 4.400 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(SC)cc2)ccc1C#N ZINC000281567047 1044161337 /nfs/dbraw/zinc/16/13/37/1044161337.db2.gz CHYKJZIQDOMSLN-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000281591247 1044167338 /nfs/dbraw/zinc/16/73/38/1044167338.db2.gz LRTBUMCJRLSWNZ-RDJZCZTQSA-N 1 0 313.445 4.004 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000562901442 1044177457 /nfs/dbraw/zinc/17/74/57/1044177457.db2.gz SAYSCEPAOSDAPP-ZDUSSCGKSA-N 1 0 318.342 4.470 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)Nc1ccccc1 ZINC000562906724 1044177609 /nfs/dbraw/zinc/17/76/09/1044177609.db2.gz GNVPEYWFOSOHMT-NHCUHLMSSA-N 1 0 319.452 4.272 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1cccc(C)c1O)c1ccc(F)c(F)c1 ZINC000187445643 1044193882 /nfs/dbraw/zinc/19/38/82/1044193882.db2.gz RQECVKFGZCSENK-KRWDZBQOSA-N 1 0 303.352 4.386 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccc(F)nc3)c2)s1 ZINC000778168874 1044196686 /nfs/dbraw/zinc/19/66/86/1044196686.db2.gz KPCCSFKDXBQICW-UHFFFAOYSA-N 1 0 323.396 4.111 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCC(F)(F)CC1 ZINC000778171201 1044197296 /nfs/dbraw/zinc/19/72/96/1044197296.db2.gz CYTQUKWBWYMOAR-UHFFFAOYSA-N 1 0 313.775 4.020 20 30 DIEDRO Cc1cccc(C(C)(C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000130449706 1044202921 /nfs/dbraw/zinc/20/29/21/1044202921.db2.gz KYCCJUAGRZTLPT-MRXNPFEDSA-N 1 0 308.425 4.311 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCOC2CCCCCC2)cc1 ZINC000522840359 1044219721 /nfs/dbraw/zinc/21/97/21/1044219721.db2.gz HBZWNZHRPVPDAL-UHFFFAOYSA-N 1 0 303.446 4.080 20 30 DIEDRO C=CC1(CC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000934172066 1044229131 /nfs/dbraw/zinc/22/91/31/1044229131.db2.gz KZMFOEGKXUINMZ-UHFFFAOYSA-N 1 0 318.505 4.036 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000883216912 1044236328 /nfs/dbraw/zinc/23/63/28/1044236328.db2.gz XVXNYCDNLZMOEY-IYWMVGAKSA-N 1 0 315.457 4.010 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccccc1 ZINC000883220303 1044238434 /nfs/dbraw/zinc/23/84/34/1044238434.db2.gz HPMMRIVKVRRFSY-IBGZPJMESA-N 1 0 309.457 4.407 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000778235322 1044238400 /nfs/dbraw/zinc/23/84/00/1044238400.db2.gz UPSJORHFFFISJK-UHFFFAOYSA-N 1 0 305.365 4.315 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)OC)c1ccc(C(F)(F)F)cc1 ZINC000360210043 1044246053 /nfs/dbraw/zinc/24/60/53/1044246053.db2.gz UMGOOHRFFHHPGA-IUODEOHRSA-N 1 0 301.352 4.337 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CC[C@@H]2CCCC2(F)F)c1 ZINC000883266313 1044251770 /nfs/dbraw/zinc/25/17/70/1044251770.db2.gz XCTCEINBIKOSRR-INIZCTEOSA-N 1 0 322.399 4.284 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000563353316 1044253197 /nfs/dbraw/zinc/25/31/97/1044253197.db2.gz NQWIUXKCZZQTMT-OCBCSQNSSA-N 1 0 311.816 4.094 20 30 DIEDRO C=CCC[C@H](Cc1ccccc1)[NH2+]C1(c2ncccn2)CCC1 ZINC000883311407 1044264732 /nfs/dbraw/zinc/26/47/32/1044264732.db2.gz YUXOEVCCZLRRGB-GOSISDBHSA-N 1 0 307.441 4.023 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccccc1 ZINC000883325239 1044273930 /nfs/dbraw/zinc/27/39/30/1044273930.db2.gz URGWZAWKIGLCAH-KRWDZBQOSA-N 1 0 314.454 4.034 20 30 DIEDRO CCC(CC)(CCO)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360654767 1044296189 /nfs/dbraw/zinc/29/61/89/1044296189.db2.gz ACEJIQXQNCHGPZ-IBGZPJMESA-N 1 0 314.473 4.104 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883384450 1044297184 /nfs/dbraw/zinc/29/71/84/1044297184.db2.gz RNXHOIVJDQKVTO-JZXOWHBKSA-N 1 0 315.457 4.250 20 30 DIEDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360656175 1044297225 /nfs/dbraw/zinc/29/72/25/1044297225.db2.gz GMCBHWROYHNRGW-BFUOFWGJSA-N 1 0 323.440 4.324 20 30 DIEDRO N#Cc1csc(CNc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000883404297 1044306037 /nfs/dbraw/zinc/30/60/37/1044306037.db2.gz VVAPTCUBFULKNE-UHFFFAOYSA-N 1 0 311.454 4.218 20 30 DIEDRO CCCCOCCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360841851 1044318145 /nfs/dbraw/zinc/31/81/45/1044318145.db2.gz UKQWSGDJRCSUGT-IBGZPJMESA-N 1 0 300.446 4.122 20 30 DIEDRO CC1(C)CC[C@H]([NH2+]CCCC#N)c2cc(Br)ccc21 ZINC000360888291 1044325266 /nfs/dbraw/zinc/32/52/66/1044325266.db2.gz ZNHVZPZKHXDIIV-HNNXBMFYSA-N 1 0 321.262 4.455 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000348242231 1044344411 /nfs/dbraw/zinc/34/44/11/1044344411.db2.gz INPDWYKKGQOWGN-OAHLLOKOSA-N 1 0 306.837 4.473 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000564144996 1044348188 /nfs/dbraw/zinc/34/81/88/1044348188.db2.gz YJLRSIHBHAGWMJ-MGPUTAFESA-N 1 0 308.400 4.475 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000564144998 1044348634 /nfs/dbraw/zinc/34/86/34/1044348634.db2.gz YJLRSIHBHAGWMJ-YWZLYKJASA-N 1 0 308.400 4.475 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)CC[NH2+]C(C)(C)C ZINC000935606028 1044350338 /nfs/dbraw/zinc/35/03/38/1044350338.db2.gz FXGGALCMXLXNHV-UHFFFAOYSA-N 1 0 302.462 4.255 20 30 DIEDRO C=CCOc1ccc(CN2CCC[C@@H]2c2csc(C)n2)cc1 ZINC000361060539 1044354880 /nfs/dbraw/zinc/35/48/80/1044354880.db2.gz QCHPAISPXNKCOZ-GOSISDBHSA-N 1 0 314.454 4.353 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000186376358 1044405312 /nfs/dbraw/zinc/40/53/12/1044405312.db2.gz OWRNEAVYOGDWJC-QGZVFWFLSA-N 1 0 319.452 4.351 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000133529259 1044410822 /nfs/dbraw/zinc/41/08/22/1044410822.db2.gz KIGCSFDRNBSIIP-JXFKEZNVSA-N 1 0 321.420 4.263 20 30 DIEDRO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cccc(C#N)c1 ZINC000186416210 1044415083 /nfs/dbraw/zinc/41/50/83/1044415083.db2.gz GSZYWMBTKCXUIG-AWEZNQCLSA-N 1 0 321.399 4.082 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000121300052 1044416475 /nfs/dbraw/zinc/41/64/75/1044416475.db2.gz XIPXTYRPXFTABZ-OFLPRAFFSA-N 1 0 322.493 4.157 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000565353371 1044430601 /nfs/dbraw/zinc/43/06/01/1044430601.db2.gz ZPAMXYLKRBSXQT-FRFSOERESA-N 1 0 301.821 4.009 20 30 DIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NCc3ccc(C#N)cc3)cc2)C1 ZINC000237479670 1044434539 /nfs/dbraw/zinc/43/45/39/1044434539.db2.gz KPYXCIBPIGHNBO-QGZVFWFLSA-N 1 0 319.452 4.402 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000565547343 1044440444 /nfs/dbraw/zinc/44/04/44/1044440444.db2.gz AKSOKXWQTYGYHG-IBGZPJMESA-N 1 0 308.425 4.074 20 30 DIEDRO N#CCCC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000361830356 1044449980 /nfs/dbraw/zinc/44/99/80/1044449980.db2.gz RAACRSUQESZFBX-ZDUSSCGKSA-N 1 0 313.228 4.140 20 30 DIEDRO N#CCCC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000361830355 1044451118 /nfs/dbraw/zinc/45/11/18/1044451118.db2.gz RAACRSUQESZFBX-CYBMUJFWSA-N 1 0 313.228 4.140 20 30 DIEDRO C[NH+](C)[C@H](CNc1cc(Cl)ccc1C#N)c1ccc(F)cc1 ZINC000609894757 1044467056 /nfs/dbraw/zinc/46/70/56/1044467056.db2.gz PKRNDZCWMGERES-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO C[N@H+](CCCCC#N)Cc1ccc(Br)cc1Cl ZINC000362016348 1044469924 /nfs/dbraw/zinc/46/99/24/1044469924.db2.gz AHGHCYFDZJAJPO-UHFFFAOYSA-N 1 0 315.642 4.228 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1ccc(OC)c(OC)c1Cl ZINC000566928768 1044528440 /nfs/dbraw/zinc/52/84/40/1044528440.db2.gz BFQXKDJNQYUYMO-AWEZNQCLSA-N 1 0 311.853 4.234 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(C#N)cc1 ZINC000566953921 1044529612 /nfs/dbraw/zinc/52/96/12/1044529612.db2.gz IHIOSMICRIPNMM-LJQANCHMSA-N 1 0 301.393 4.347 20 30 DIEDRO C=C[C@H](CC)CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001625949355 1044539562 /nfs/dbraw/zinc/53/95/62/1044539562.db2.gz WECKFUOMCKIVAA-QGZVFWFLSA-N 1 0 314.473 4.459 20 30 DIEDRO COCCCC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000348328673 1044540909 /nfs/dbraw/zinc/54/09/09/1044540909.db2.gz VHOYOXWGSZOTMX-HXUWFJFHSA-N 1 0 308.425 4.206 20 30 DIEDRO CO[C@H](C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000567243403 1044553187 /nfs/dbraw/zinc/55/31/87/1044553187.db2.gz LWXMRRFTGQJNBJ-NJDAHSKKSA-N 1 0 320.436 4.146 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)CCOc1ccccc1Cl ZINC000444594179 1044570924 /nfs/dbraw/zinc/57/09/24/1044570924.db2.gz HCVLIGUIAZDNPF-UHFFFAOYSA-N 1 0 308.853 4.371 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000444630401 1044580288 /nfs/dbraw/zinc/58/02/88/1044580288.db2.gz ZZNWEBHUBPUFEU-LJQANCHMSA-N 1 0 319.537 4.294 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000444649486 1044583130 /nfs/dbraw/zinc/58/31/30/1044583130.db2.gz KDAHUVMWUCBGCS-UHFFFAOYSA-N 1 0 315.417 4.279 20 30 DIEDRO CCC[N@H+](CCCCC(C)(C)C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000444641038 1044589493 /nfs/dbraw/zinc/58/94/93/1044589493.db2.gz ONRSITZOLATMFZ-BRWVUGGUSA-N 1 0 306.494 4.232 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH+]1CCC(CCC#N)CC1 ZINC000567905334 1044590601 /nfs/dbraw/zinc/59/06/01/1044590601.db2.gz SGZGKXGFOYPCRQ-VKAVYKQESA-N 1 0 312.457 4.252 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000444665576 1044595247 /nfs/dbraw/zinc/59/52/47/1044595247.db2.gz PHLOZPPJQGLYQB-UHFFFAOYSA-N 1 0 322.880 4.244 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000444668088 1044595550 /nfs/dbraw/zinc/59/55/50/1044595550.db2.gz BPFNEMVMAURKIZ-UHFFFAOYSA-N 1 0 315.417 4.279 20 30 DIEDRO C=C(C)C[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444673585 1044599232 /nfs/dbraw/zinc/59/92/32/1044599232.db2.gz NERVVYUJNCMUSL-UHFFFAOYSA-N 1 0 304.437 4.394 20 30 DIEDRO C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000152035174 1044616557 /nfs/dbraw/zinc/61/65/57/1044616557.db2.gz GXMOAUPKRJFJPB-AWEZNQCLSA-N 1 0 314.816 4.079 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCOc1ccc(F)cc1)CC2 ZINC000568332881 1044616909 /nfs/dbraw/zinc/61/69/09/1044616909.db2.gz XKMHCGXUWLNEKS-HXUWFJFHSA-N 1 0 324.399 4.133 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnc(C2CC2)s1 ZINC000568371444 1044622194 /nfs/dbraw/zinc/62/21/94/1044622194.db2.gz DYGCNCPLDCBSFM-QGZVFWFLSA-N 1 0 309.438 4.059 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc1C#N ZINC000886279024 1044628402 /nfs/dbraw/zinc/62/84/02/1044628402.db2.gz OCLGEWSPJHQNCA-WBMJQRKESA-N 1 0 312.438 4.286 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cc(C)sc2C)cc1C#N ZINC000886277088 1044629667 /nfs/dbraw/zinc/62/96/67/1044629667.db2.gz GNUGOLPTMIWZLL-UHFFFAOYSA-N 1 0 302.468 4.248 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1C#N ZINC000886279023 1044629719 /nfs/dbraw/zinc/62/97/19/1044629719.db2.gz OCLGEWSPJHQNCA-MLGOLLRUSA-N 1 0 312.438 4.286 20 30 DIEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCCSCC#N ZINC000444788479 1044630002 /nfs/dbraw/zinc/63/00/02/1044630002.db2.gz VSOIHKFKLLEAHR-CQSZACIVSA-N 1 0 316.392 4.225 20 30 DIEDRO C=CCC[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000568535999 1044632906 /nfs/dbraw/zinc/63/29/06/1044632906.db2.gz GQYWKUNMTIKVNP-HXUWFJFHSA-N 1 0 311.425 4.153 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC001257546117 1044637698 /nfs/dbraw/zinc/63/76/98/1044637698.db2.gz DMMPTFGYJSNAOU-MRXNPFEDSA-N 1 0 317.539 4.073 20 30 DIEDRO C#CCC1([NH2+]Cc2sc3ccccc3c2Cl)CCOCC1 ZINC000886381462 1044639807 /nfs/dbraw/zinc/63/98/07/1044639807.db2.gz DIOUARUZDJZRNP-UHFFFAOYSA-N 1 0 319.857 4.217 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCCc4nc(Cl)ccc43)CC2)c1 ZINC000296668286 1044643164 /nfs/dbraw/zinc/64/31/64/1044643164.db2.gz FQBDUVGWANNOCB-KRWDZBQOSA-N 1 0 323.827 4.263 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCc2ccc(Cl)s2)s1 ZINC000568670106 1044643302 /nfs/dbraw/zinc/64/33/02/1044643302.db2.gz MNKWQZDTDZLUTC-UHFFFAOYSA-N 1 0 310.875 4.447 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)cc1 ZINC000886505375 1044650997 /nfs/dbraw/zinc/65/09/97/1044650997.db2.gz YHSLVQLVLHFSOE-LJQANCHMSA-N 1 0 319.383 4.346 20 30 DIEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC[C@@H](C)CC(C)(C)C ZINC001275879436 1044661842 /nfs/dbraw/zinc/66/18/42/1044661842.db2.gz DPMJEPRPWBYZCH-YLJYHZDGSA-N 1 0 320.521 4.092 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886685846 1044678865 /nfs/dbraw/zinc/67/88/65/1044678865.db2.gz DFCSGDPWAKCJIF-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000364831614 1044679035 /nfs/dbraw/zinc/67/90/35/1044679035.db2.gz UWAGGVNKYFAJAA-LJQANCHMSA-N 1 0 307.441 4.481 20 30 DIEDRO Cc1csc(C[C@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000886692202 1044681056 /nfs/dbraw/zinc/68/10/56/1044681056.db2.gz UHRSAKDMGKVJCE-MRXNPFEDSA-N 1 0 319.518 4.426 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1C#N ZINC000886690433 1044681563 /nfs/dbraw/zinc/68/15/63/1044681563.db2.gz WGDVOTULHHDBKB-KRWDZBQOSA-N 1 0 324.449 4.153 20 30 DIEDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886691311 1044681659 /nfs/dbraw/zinc/68/16/59/1044681659.db2.gz BBYOHCMGKKVRBT-SFHVURJKSA-N 1 0 324.449 4.066 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(Cl)nc2)cc1C#N ZINC000886687841 1044682056 /nfs/dbraw/zinc/68/20/56/1044682056.db2.gz GDUJJMLBTGAQHF-LLVKDONJSA-N 1 0 317.845 4.179 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886709578 1044685825 /nfs/dbraw/zinc/68/58/25/1044685825.db2.gz UKJKORRJGUEFJG-QZTJIDSGSA-N 1 0 309.494 4.077 20 30 DIEDRO Cc1ccc(C[N@H+](CCCSCC#N)Cc2ccco2)s1 ZINC000074989198 1044687653 /nfs/dbraw/zinc/68/76/53/1044687653.db2.gz BIBODNFPXDEAMS-UHFFFAOYSA-N 1 0 320.483 4.299 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccc(C#N)cc1 ZINC000365740775 1044700664 /nfs/dbraw/zinc/70/06/64/1044700664.db2.gz XULLJDODTPCMFA-RBUKOAKNSA-N 1 0 322.408 4.131 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000569884136 1044719021 /nfs/dbraw/zinc/71/90/21/1044719021.db2.gz NAFCRVOYMLWIAJ-LJQANCHMSA-N 1 0 312.388 4.289 20 30 DIEDRO COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000569952865 1044721223 /nfs/dbraw/zinc/72/12/23/1044721223.db2.gz UQQGBPQSRBXXNN-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO C=C(CC)C[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@@H]21 ZINC001168084090 1044731507 /nfs/dbraw/zinc/73/15/07/1044731507.db2.gz FVSDKKOSCDDFJM-GFEQUFNTSA-N 1 0 320.521 4.137 20 30 DIEDRO Cc1cc(C)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1C ZINC000367232428 1044733540 /nfs/dbraw/zinc/73/35/40/1044733540.db2.gz VNSXINPSAZGBIM-UHFFFAOYSA-N 1 0 319.452 4.064 20 30 DIEDRO COc1ccccc1CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000524198493 1044770857 /nfs/dbraw/zinc/77/08/57/1044770857.db2.gz OOKCSZAGZVCXFE-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@@]1(C)CCCO1 ZINC000570640363 1044772864 /nfs/dbraw/zinc/77/28/64/1044772864.db2.gz JWFOTJISYBVKDA-HRAATJIYSA-N 1 0 320.436 4.272 20 30 DIEDRO CC[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000570702326 1044775839 /nfs/dbraw/zinc/77/58/39/1044775839.db2.gz LMWATFDVKAMUMG-SAABIXHNSA-N 1 0 311.473 4.085 20 30 DIEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000123327742 1044784171 /nfs/dbraw/zinc/78/41/71/1044784171.db2.gz PQKUFDYKLQRHBD-APWZRJJASA-N 1 0 321.424 4.038 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]C1CCOCC1 ZINC001253563582 1044804639 /nfs/dbraw/zinc/80/46/39/1044804639.db2.gz KLXAHWSOKGVIIE-LJQANCHMSA-N 1 0 313.526 4.427 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]C1CCOCC1 ZINC001253563581 1044805233 /nfs/dbraw/zinc/80/52/33/1044805233.db2.gz KLXAHWSOKGVIIE-IBGZPJMESA-N 1 0 313.526 4.427 20 30 DIEDRO CCOc1ccc([C@H]([NH2+]CCCCC#N)C(C)C)cc1OCC ZINC000263806924 1044831145 /nfs/dbraw/zinc/83/11/45/1044831145.db2.gz LLHAKPGHAQFJIJ-LJQANCHMSA-N 1 0 318.461 4.465 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000571934558 1044832009 /nfs/dbraw/zinc/83/20/09/1044832009.db2.gz QNMZWJWYTYYGJT-UNMCSNQZSA-N 1 0 318.464 4.370 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC#Cc1ccccc1Cl ZINC000445895447 1044846789 /nfs/dbraw/zinc/84/67/89/1044846789.db2.gz GLZPPXMIOUENBJ-AWEZNQCLSA-N 1 0 303.755 4.258 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000572213521 1044847356 /nfs/dbraw/zinc/84/73/56/1044847356.db2.gz BWPIZDMUCPXUMW-MRXNPFEDSA-N 1 0 323.440 4.341 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000264131495 1044853957 /nfs/dbraw/zinc/85/39/57/1044853957.db2.gz MRXMDCKRCOPHHI-IBGZPJMESA-N 1 0 310.372 4.065 20 30 DIEDRO N#CC1(CCC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)CCOCC1 ZINC000337157646 1044869117 /nfs/dbraw/zinc/86/91/17/1044869117.db2.gz QABBNZMCCRNSSQ-HXUWFJFHSA-N 1 0 324.468 4.239 20 30 DIEDRO CC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(C)cc1 ZINC000337166986 1044869715 /nfs/dbraw/zinc/86/97/15/1044869715.db2.gz AOSUHCZPTJPPST-SFHVURJKSA-N 1 0 300.446 4.136 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000264386461 1044876913 /nfs/dbraw/zinc/87/69/13/1044876913.db2.gz QOYIEXMIGHZTJM-INIZCTEOSA-N 1 0 322.408 4.005 20 30 DIEDRO C[N@@H+](CCCCC#N)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000264449591 1044878329 /nfs/dbraw/zinc/87/83/29/1044878329.db2.gz HRIDGYDRMPLOAN-UHFFFAOYSA-N 1 0 324.472 4.415 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000524751163 1044911914 /nfs/dbraw/zinc/91/19/14/1044911914.db2.gz VGLURLFGPIVVMF-GOSISDBHSA-N 1 0 308.450 4.172 20 30 DIEDRO C=CCC[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000524811304 1044927250 /nfs/dbraw/zinc/92/72/50/1044927250.db2.gz CRWFXORRPOEGGW-UHFFFAOYSA-N 1 0 300.215 4.375 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000573847177 1044928298 /nfs/dbraw/zinc/92/82/98/1044928298.db2.gz DNXRPNSNWFKELC-DBXWQHBBSA-N 1 0 302.421 4.390 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000373021547 1044935762 /nfs/dbraw/zinc/93/57/62/1044935762.db2.gz OFGSRMUSXDBZED-PMACEKPBSA-N 1 0 319.452 4.120 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccc(C#N)cc1 ZINC000373210145 1044951214 /nfs/dbraw/zinc/95/12/14/1044951214.db2.gz YIXZRIMOZYOBAN-DAWZGUTISA-N 1 0 324.428 4.017 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1ccc(C#N)cc1 ZINC000373209461 1044951250 /nfs/dbraw/zinc/95/12/50/1044951250.db2.gz WFYFONLPIFYMIH-DOTOQJQBSA-N 1 0 311.454 4.442 20 30 DIEDRO C[C@@H](N[C@@H](c1ccccc1)c1ccccn1)c1cccc(C#N)c1 ZINC000373222776 1044953478 /nfs/dbraw/zinc/95/34/78/1044953478.db2.gz DHBWRSUHHPQBNG-IERDGZPVSA-N 1 0 313.404 4.393 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000574848274 1044976288 /nfs/dbraw/zinc/97/62/88/1044976288.db2.gz XXYFOVSJWQTNDO-XOBRGWDASA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411330160 1044997643 /nfs/dbraw/zinc/99/76/43/1044997643.db2.gz SIEXWFQDEHDZEP-INIZCTEOSA-N 1 0 300.446 4.119 20 30 DIEDRO COC[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc(F)c(F)c1 ZINC000411470980 1045010874 /nfs/dbraw/zinc/01/08/74/1045010874.db2.gz DSFHZBCSMXAWLT-QGZVFWFLSA-N 1 0 322.399 4.106 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000831711073 1045016070 /nfs/dbraw/zinc/01/60/70/1045016070.db2.gz IKRVAMQYBWGZSY-UHFFFAOYSA-N 1 0 308.510 4.119 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1-n1cccn1 ZINC000373883278 1045018652 /nfs/dbraw/zinc/01/86/52/1045018652.db2.gz AWESBMXCMJGJDM-INIZCTEOSA-N 1 0 310.445 4.243 20 30 DIEDRO CC(C)(CO)[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1cccs1 ZINC000411739334 1045027309 /nfs/dbraw/zinc/02/73/09/1045027309.db2.gz WHQGYBRYTKMLMP-INIZCTEOSA-N 1 0 320.502 4.261 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000446760233 1045035040 /nfs/dbraw/zinc/03/50/40/1045035040.db2.gz SJRXUXFNUSPYNE-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000576152444 1045038861 /nfs/dbraw/zinc/03/88/61/1045038861.db2.gz HGHSIIPWPNITDU-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)c(C)c1 ZINC000576232406 1045045401 /nfs/dbraw/zinc/04/54/01/1045045401.db2.gz QTAQQEUHLDOVPM-UHFFFAOYSA-N 1 0 319.832 4.312 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC3(CCCCC3)C1)CC2 ZINC000576263261 1045047640 /nfs/dbraw/zinc/04/76/40/1045047640.db2.gz ZYTHRHMNVXYNJB-IEBWSBKVSA-N 1 0 310.441 4.017 20 30 DIEDRO C=CCCOCC[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000576308519 1045050150 /nfs/dbraw/zinc/05/01/50/1045050150.db2.gz VKMIUKNIAWXMSR-SDNWHVSQSA-N 1 0 313.363 4.291 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](OCC)c2ccccc2)cc1 ZINC000446852187 1045052709 /nfs/dbraw/zinc/05/27/09/1045052709.db2.gz MWVGTNCYXZMBBU-FQEVSTJZSA-N 1 0 311.425 4.119 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1cccc(C#N)c1 ZINC000153706224 1045059348 /nfs/dbraw/zinc/05/93/48/1045059348.db2.gz AVZVDEXAWSPYGF-SJKOYZFVSA-N 1 0 312.800 4.386 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374469768 1045061477 /nfs/dbraw/zinc/06/14/77/1045061477.db2.gz HNUFWWKFJKGWOU-TZIWHRDSSA-N 1 0 323.436 4.119 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000525405104 1045063024 /nfs/dbraw/zinc/06/30/24/1045063024.db2.gz VJRWYQJHXSVCCY-CYBMUJFWSA-N 1 0 317.864 4.256 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374573640 1045073046 /nfs/dbraw/zinc/07/30/46/1045073046.db2.gz VJERQKCKLULSCR-ZDUSSCGKSA-N 1 0 302.384 4.371 20 30 DIEDRO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000576793887 1045080293 /nfs/dbraw/zinc/08/02/93/1045080293.db2.gz ZPIMFSVWJVJUTN-HXUWFJFHSA-N 1 0 316.404 4.433 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(Cc3ccccc3)CC2)cc1 ZINC000158899304 1045082677 /nfs/dbraw/zinc/08/26/77/1045082677.db2.gz OYBMHEMANULEOM-KRWDZBQOSA-N 1 0 320.436 4.090 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374692297 1045083465 /nfs/dbraw/zinc/08/34/65/1045083465.db2.gz GSQXMNNKNGPIES-OAHLLOKOSA-N 1 0 301.393 4.404 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000576886005 1045086928 /nfs/dbraw/zinc/08/69/28/1045086928.db2.gz TVBSIRKUKUJUKK-UHFFFAOYSA-N 1 0 307.441 4.354 20 30 DIEDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000576990911 1045092303 /nfs/dbraw/zinc/09/23/03/1045092303.db2.gz SNSSMUQIPKNLHO-HRAATJIYSA-N 1 0 320.436 4.131 20 30 DIEDRO Cc1ccsc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000577029329 1045096711 /nfs/dbraw/zinc/09/67/11/1045096711.db2.gz ZZBISYFPECPMTO-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CC1 ZINC000600683316 1045126642 /nfs/dbraw/zinc/12/66/42/1045126642.db2.gz SFAZEVVGNZBHRR-CVEARBPZSA-N 1 0 314.473 4.425 20 30 DIEDRO C=CC1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000600681590 1045126720 /nfs/dbraw/zinc/12/67/20/1045126720.db2.gz YOEUROUIAXGWTG-UHFFFAOYSA-N 1 0 302.805 4.393 20 30 DIEDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 ZINC000447518544 1045136025 /nfs/dbraw/zinc/13/60/25/1045136025.db2.gz WMZNZEDFFLJULZ-LJQANCHMSA-N 1 0 303.409 4.323 20 30 DIEDRO Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447529639 1045137471 /nfs/dbraw/zinc/13/74/71/1045137471.db2.gz MIUOIRFYZFRDHL-UKRRQHHQSA-N 1 0 321.262 4.238 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000525955258 1045137972 /nfs/dbraw/zinc/13/79/72/1045137972.db2.gz OJKQFXRRZVEAGL-ZDUSSCGKSA-N 1 0 318.342 4.470 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)C1 ZINC000447535275 1045141580 /nfs/dbraw/zinc/14/15/80/1045141580.db2.gz DYXSQISJHVVOGP-HOCLYGCPSA-N 1 0 306.837 4.171 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447538530 1045143277 /nfs/dbraw/zinc/14/32/77/1045143277.db2.gz CIKKBEVTZIGYPB-MGPUTAFESA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447543600 1045143627 /nfs/dbraw/zinc/14/36/27/1045143627.db2.gz SFMKXABMOQMLEQ-AYOQOUSVSA-N 1 0 300.446 4.194 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1OC(C)C ZINC000447545626 1045143644 /nfs/dbraw/zinc/14/36/44/1045143644.db2.gz RZPJYJXCJPNUGU-YQQAZPJKSA-N 1 0 316.445 4.215 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2cc[nH]c21 ZINC000447569825 1045145486 /nfs/dbraw/zinc/14/54/86/1045145486.db2.gz DPZVHHHZVZGEMI-LJQANCHMSA-N 1 0 301.393 4.207 20 30 DIEDRO CC[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(C#N)cc1 ZINC000447593422 1045155689 /nfs/dbraw/zinc/15/56/89/1045155689.db2.gz RTKDWWORQRYZQF-MRXNPFEDSA-N 1 0 318.342 4.259 20 30 DIEDRO CC[C@@H](Nc1cc(C)cc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000447595173 1045157610 /nfs/dbraw/zinc/15/76/10/1045157610.db2.gz LPSCDOAYXADXMM-HXUWFJFHSA-N 1 0 307.441 4.492 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447578055 1045159465 /nfs/dbraw/zinc/15/94/65/1045159465.db2.gz CSDONEJAAWYWSW-FQEVSTJZSA-N 1 0 324.424 4.077 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000447735348 1045172544 /nfs/dbraw/zinc/17/25/44/1045172544.db2.gz DCBCMPORLQBPEJ-UHFFFAOYSA-N 1 0 310.372 4.354 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000601118843 1045189779 /nfs/dbraw/zinc/18/97/79/1045189779.db2.gz IRMNFOZSXOKUIO-UHFFFAOYSA-N 1 0 310.363 4.211 20 30 DIEDRO C[C@@H](CC1CCC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000601154804 1045193440 /nfs/dbraw/zinc/19/34/40/1045193440.db2.gz YEJBBQYLIHOLJW-INIZCTEOSA-N 1 0 322.456 4.132 20 30 DIEDRO CC(C)(C#N)c1ccc(CN[C@H](CF)c2ccc(F)cc2)cc1 ZINC000601166349 1045195879 /nfs/dbraw/zinc/19/58/79/1045195879.db2.gz IVXSMXWZFSDBNF-GOSISDBHSA-N 1 0 314.379 4.427 20 30 DIEDRO CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000924786061 1045198689 /nfs/dbraw/zinc/19/86/89/1045198689.db2.gz BSSCXAVGZLPTMT-HNNXBMFYSA-N 1 0 315.461 4.089 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(C)ccc1OC ZINC000578012737 1045199135 /nfs/dbraw/zinc/19/91/35/1045199135.db2.gz WRQLBTFFXXVUAZ-LJQANCHMSA-N 1 0 308.425 4.311 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000601284407 1045211858 /nfs/dbraw/zinc/21/18/58/1045211858.db2.gz GKBFLRHBWISRRU-AQNXPRMDSA-N 1 0 306.409 4.129 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC000924939486 1045213554 /nfs/dbraw/zinc/21/35/54/1045213554.db2.gz SWUPIRVBIWRBPI-GJZGRUSLSA-N 1 0 320.502 4.404 20 30 DIEDRO CC[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc(C#N)cc1 ZINC000601304685 1045214008 /nfs/dbraw/zinc/21/40/08/1045214008.db2.gz QUXXXKOGZYMIJF-MOPGFXCFSA-N 1 0 312.457 4.338 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)c1cc(C)[nH+]c2ccccc21 ZINC000557734524 1045224174 /nfs/dbraw/zinc/22/41/74/1045224174.db2.gz AECPKESMVFSADA-UHFFFAOYSA-N 1 0 322.408 4.211 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000448369937 1045238711 /nfs/dbraw/zinc/23/87/11/1045238711.db2.gz DBQBPPNUOWJEQB-GDBMZVCRSA-N 1 0 323.864 4.030 20 30 DIEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1C#N ZINC001168097775 1045254935 /nfs/dbraw/zinc/25/49/35/1045254935.db2.gz ZXPAHAXZOHNUGF-SJORKVTESA-N 1 0 300.446 4.132 20 30 DIEDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1F ZINC000527781614 1045259326 /nfs/dbraw/zinc/25/93/26/1045259326.db2.gz NSHBNXBIZYHKHW-UHFFFAOYSA-N 1 0 312.388 4.039 20 30 DIEDRO CCCCCCCC[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000779089297 1045264780 /nfs/dbraw/zinc/26/47/80/1045264780.db2.gz ZOGLLRCFNMMPSD-HXUWFJFHSA-N 1 0 316.489 4.430 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3Cc4cc(Cl)ccc4[C@@H]13)CC2 ZINC000527942636 1045283355 /nfs/dbraw/zinc/28/33/55/1045283355.db2.gz LMNPRYGWQGGYSY-MTQWCTHYSA-N 1 0 320.823 4.127 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC/C=C/c2ccc(Br)cc2)C1 ZINC000527931476 1045286298 /nfs/dbraw/zinc/28/62/98/1045286298.db2.gz KXBTUDGSFMYDNN-AWHZNEASSA-N 1 0 319.246 4.134 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000527935327 1045286751 /nfs/dbraw/zinc/28/67/51/1045286751.db2.gz LSDKBKWHFITIOL-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)cn1 ZINC000578995464 1045287181 /nfs/dbraw/zinc/28/71/81/1045287181.db2.gz FZTVAAFIIYKBQV-OWCLPIDISA-N 1 0 307.397 4.217 20 30 DIEDRO CC(C)COc1ccc(C[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000579352826 1045308950 /nfs/dbraw/zinc/30/89/50/1045308950.db2.gz KLFLBVMNJQAYPO-UHFFFAOYSA-N 1 0 308.425 4.077 20 30 DIEDRO CC(C)C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000579465256 1045317958 /nfs/dbraw/zinc/31/79/58/1045317958.db2.gz QEFXQCQDROQQPQ-WMLDXEAASA-N 1 0 303.837 4.460 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000449088288 1045344599 /nfs/dbraw/zinc/34/45/99/1045344599.db2.gz BANVQSKKEMQNJY-HQVVEAJESA-N 1 0 302.393 4.101 20 30 DIEDRO C=CCc1cc(C[NH2+]C2CCCCCCC2)cc(OC)c1O ZINC000076274945 1045345839 /nfs/dbraw/zinc/34/58/39/1045345839.db2.gz KEBVVROGDXCUJG-UHFFFAOYSA-N 1 0 303.446 4.332 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000449144865 1045351787 /nfs/dbraw/zinc/35/17/87/1045351787.db2.gz VAGKEWMCHRJTJR-INIZCTEOSA-N 1 0 301.478 4.083 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000449188594 1045360580 /nfs/dbraw/zinc/36/05/80/1045360580.db2.gz SMLDKLLADNHICK-HESLUPGFSA-N 1 0 302.384 4.417 20 30 DIEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCC#N)c1ccccc1 ZINC000449201526 1045361906 /nfs/dbraw/zinc/36/19/06/1045361906.db2.gz IOLZAJCBKLNCNW-CRAIPNDOSA-N 1 0 323.396 4.160 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000449214081 1045362617 /nfs/dbraw/zinc/36/26/17/1045362617.db2.gz LPBUUBKODKABQE-MAUKXSAKSA-N 1 0 300.446 4.209 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCCCc2ccc(F)c(F)c2)CC1 ZINC000449257439 1045367772 /nfs/dbraw/zinc/36/77/72/1045367772.db2.gz LWQQQQGPXMSUBV-UHFFFAOYSA-N 1 0 306.400 4.350 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000779198193 1045369335 /nfs/dbraw/zinc/36/93/35/1045369335.db2.gz SWLGXTLSTJMYFR-IAGOWNOFSA-N 1 0 308.425 4.109 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000779213489 1045371932 /nfs/dbraw/zinc/37/19/32/1045371932.db2.gz KFLKUFKOHPZPPI-SXSDINLZSA-N 1 0 317.477 4.011 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@H]1CCn2ccnc2C1 ZINC000779213486 1045372257 /nfs/dbraw/zinc/37/22/57/1045372257.db2.gz KFLKUFKOHPZPPI-DVQDXYAYSA-N 1 0 317.477 4.011 20 30 DIEDRO COc1cccc2c(C[NH2+]CC3CCC(C#N)CC3)cccc12 ZINC000449302948 1045373319 /nfs/dbraw/zinc/37/33/19/1045373319.db2.gz LIFYZVTXQZQLSS-UHFFFAOYSA-N 1 0 308.425 4.268 20 30 DIEDRO COc1cccc([C@H]2C[N@H+](CCCC(C)(C)C#N)CC2(C)C)c1 ZINC000528627444 1045389464 /nfs/dbraw/zinc/38/94/64/1045389464.db2.gz UUMPIAMEZJIIQB-GOSISDBHSA-N 1 0 314.473 4.451 20 30 DIEDRO Clc1cccc(C#CC[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000528659062 1045392278 /nfs/dbraw/zinc/39/22/78/1045392278.db2.gz NSHBXIHQRQCYLK-IBGZPJMESA-N 1 0 310.828 4.218 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449439500 1045396944 /nfs/dbraw/zinc/39/69/44/1045396944.db2.gz VSNOYPOTVICKPQ-DOMZBBRYSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000449439503 1045397193 /nfs/dbraw/zinc/39/71/93/1045397193.db2.gz VSNOYPOTVICKPQ-WFASDCNBSA-N 1 0 301.352 4.073 20 30 DIEDRO C[C@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000320775117 1045397534 /nfs/dbraw/zinc/39/75/34/1045397534.db2.gz UPEUJQVQQYVSJH-SJORKVTESA-N 1 0 308.425 4.433 20 30 DIEDRO C=C(C)CC[NH2+]Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000449479658 1045398642 /nfs/dbraw/zinc/39/86/42/1045398642.db2.gz VRJWDVWWBLTLJV-UHFFFAOYSA-N 1 0 317.351 4.082 20 30 DIEDRO C=C(C)CC[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000449480049 1045399086 /nfs/dbraw/zinc/39/90/86/1045399086.db2.gz XDZDZMUTODWKLM-UHFFFAOYSA-N 1 0 302.443 4.086 20 30 DIEDRO C=CC(C)(C)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000449487590 1045401667 /nfs/dbraw/zinc/40/16/67/1045401667.db2.gz ZJUKDYUKZJZDKB-UHFFFAOYSA-N 1 0 306.881 4.106 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449497290 1045403705 /nfs/dbraw/zinc/40/37/05/1045403705.db2.gz IPFITFPNQBHJKR-MRXNPFEDSA-N 1 0 315.417 4.104 20 30 DIEDRO Cc1cc(Cl)ccc1C1=CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000528740444 1045406905 /nfs/dbraw/zinc/40/69/05/1045406905.db2.gz GEPUYFBSMUNZQH-OAHLLOKOSA-N 1 0 313.832 4.181 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449548557 1045411448 /nfs/dbraw/zinc/41/14/48/1045411448.db2.gz ONKRUJMXVFNUFJ-QNSTZXKLSA-N 1 0 311.878 4.217 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528794046 1045415566 /nfs/dbraw/zinc/41/55/66/1045415566.db2.gz OYCIXOZYPBCCIQ-UHFFFAOYSA-N 1 0 310.363 4.393 20 30 DIEDRO C=CCC1([NH2+]Cc2ncc(Br)s2)CCCCC1 ZINC000449578029 1045416823 /nfs/dbraw/zinc/41/68/23/1045416823.db2.gz YUPKZNZPZFYUFH-UHFFFAOYSA-N 1 0 315.280 4.274 20 30 DIEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000449664641 1045425734 /nfs/dbraw/zinc/42/57/34/1045425734.db2.gz CLHAITLQNURBAP-FQEVSTJZSA-N 1 0 311.473 4.085 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(Nc3cccc(CC#N)c3)CC2)C1 ZINC000449696935 1045427069 /nfs/dbraw/zinc/42/70/69/1045427069.db2.gz KSINBBLRXRCJBP-OXQOHEQNSA-N 1 0 311.473 4.208 20 30 DIEDRO C[C@H](Nc1cccc(CC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449695541 1045427442 /nfs/dbraw/zinc/42/74/42/1045427442.db2.gz IQSJMKBZZZVIPW-PXNSSMCTSA-N 1 0 319.452 4.075 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000449692018 1045429001 /nfs/dbraw/zinc/42/90/01/1045429001.db2.gz ZQGDCQBFBMUCSS-DOTOQJQBSA-N 1 0 311.454 4.078 20 30 DIEDRO Cc1cc(C)c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC000449733729 1045431931 /nfs/dbraw/zinc/43/19/31/1045431931.db2.gz JLLQSJMDMYIGMB-UHFFFAOYSA-N 1 0 319.452 4.192 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449736197 1045432735 /nfs/dbraw/zinc/43/27/35/1045432735.db2.gz LQOMSASETCCRDN-DHDCSXOGSA-N 1 0 324.399 4.037 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000449736656 1045433016 /nfs/dbraw/zinc/43/30/16/1045433016.db2.gz NNBWEQMEGSXCBH-WMZOPIPTSA-N 1 0 323.415 4.217 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccco2)cc1 ZINC000449780378 1045437600 /nfs/dbraw/zinc/43/76/00/1045437600.db2.gz VDGFFROYHUJJNP-ALKREAHSSA-N 1 0 310.397 4.050 20 30 DIEDRO CC[N@H+](Cc1cn2cccc(C)c2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340370 1045467607 /nfs/dbraw/zinc/46/76/07/1045467607.db2.gz ZQRVGQXYAOEJQO-MRXNPFEDSA-N 1 0 318.424 4.098 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000529660927 1045510445 /nfs/dbraw/zinc/51/04/45/1045510445.db2.gz IWMDSYJGMRQSEC-UHFFFAOYSA-N 1 0 310.363 4.393 20 30 DIEDRO CC(C)c1ocnc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001119870281 1045526876 /nfs/dbraw/zinc/52/68/76/1045526876.db2.gz USZOSDMAWIPBME-UHFFFAOYSA-N 1 0 309.413 4.049 20 30 DIEDRO N#CC1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCC1 ZINC000450692543 1045546969 /nfs/dbraw/zinc/54/69/69/1045546969.db2.gz KSPXCWNOWWFYNV-HNNXBMFYSA-N 1 0 308.347 4.440 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000113961445 1045562875 /nfs/dbraw/zinc/56/28/75/1045562875.db2.gz PBGBYSUTZIUAGK-MRXNPFEDSA-N 1 0 314.816 4.311 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001202798513 1045576235 /nfs/dbraw/zinc/57/62/35/1045576235.db2.gz ZOUPNEQXAXSHEI-FQEVSTJZSA-N 1 0 317.436 4.149 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000628405313 1045578641 /nfs/dbraw/zinc/57/86/41/1045578641.db2.gz IWPZMZHLTNOXHZ-QGZVFWFLSA-N 1 0 308.425 4.059 20 30 DIEDRO N#Cc1ccc(C(F)(F)F)c(NC2CC[NH+](C3CCC3)CC2)c1 ZINC000450876716 1045587816 /nfs/dbraw/zinc/58/78/16/1045587816.db2.gz JZLAKKRRDXONRK-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC(F)(F)C2)cc1 ZINC000800493060 1045631638 /nfs/dbraw/zinc/63/16/38/1045631638.db2.gz IGIUWNGCABJMJN-GJZGRUSLSA-N 1 0 307.384 4.175 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1 ZINC000800493062 1045631664 /nfs/dbraw/zinc/63/16/64/1045631664.db2.gz IGIUWNGCABJMJN-LSDHHAIUSA-N 1 0 307.384 4.175 20 30 DIEDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000751932608 1045642545 /nfs/dbraw/zinc/64/25/45/1045642545.db2.gz PQFAKRXXSGQZIM-UXHICEINSA-N 1 0 320.436 4.281 20 30 DIEDRO CC[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000530366439 1045653066 /nfs/dbraw/zinc/65/30/66/1045653066.db2.gz GTCQLOROFQABSD-APWZRJJASA-N 1 0 312.457 4.433 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c(F)c1 ZINC000752093999 1045658387 /nfs/dbraw/zinc/65/83/87/1045658387.db2.gz PECQSXGXUXZZOK-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO N#Cc1cc(F)ccc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451301592 1045663169 /nfs/dbraw/zinc/66/31/69/1045663169.db2.gz XQESGEFGHHBRPC-NHYWBVRUSA-N 1 0 314.326 4.298 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@H]2CCCF)c1 ZINC000800975263 1045673551 /nfs/dbraw/zinc/67/35/51/1045673551.db2.gz ZGPHLFMLXFUDBY-SCTDSRPQSA-N 1 0 318.436 4.376 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccc1O ZINC000800989457 1045677488 /nfs/dbraw/zinc/67/74/88/1045677488.db2.gz DBQYIQUUSHSJNS-MRXNPFEDSA-N 1 0 300.789 4.158 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(Cl)nc1 ZINC000800990045 1045677611 /nfs/dbraw/zinc/67/76/11/1045677611.db2.gz JDXPIYGDWUJNDB-JTQLQIEISA-N 1 0 306.196 4.111 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000800989927 1045678475 /nfs/dbraw/zinc/67/84/75/1045678475.db2.gz IVTPIVWLNDIEIU-AWEZNQCLSA-N 1 0 324.811 4.074 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551353 1045694678 /nfs/dbraw/zinc/69/46/78/1045694678.db2.gz ULBAMBGJAVICOZ-INIZCTEOSA-N 1 0 315.417 4.104 20 30 DIEDRO C[C@@]1(C#N)CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000753586875 1045770956 /nfs/dbraw/zinc/77/09/56/1045770956.db2.gz LLZAPGPOMJLFHK-FQEVSTJZSA-N 1 0 306.409 4.185 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1C ZINC000753651595 1045785163 /nfs/dbraw/zinc/78/51/63/1045785163.db2.gz BGOJURILDXZEQH-CQSZACIVSA-N 1 0 312.388 4.174 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(OC(F)F)cc1 ZINC000192150572 1045785718 /nfs/dbraw/zinc/78/57/18/1045785718.db2.gz TZTCPRBBWKNHAB-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1F ZINC000192158441 1045788648 /nfs/dbraw/zinc/78/86/48/1045788648.db2.gz HOZJREQLUNKIOQ-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1C ZINC000753682987 1045788949 /nfs/dbraw/zinc/78/89/49/1045788949.db2.gz XWHRPARIECXQCB-AWEZNQCLSA-N 1 0 312.388 4.174 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000753680236 1045789048 /nfs/dbraw/zinc/78/90/48/1045789048.db2.gz ZHSUUJGEEOHQPB-FXRXJOCMSA-N 1 0 300.446 4.282 20 30 DIEDRO CCCCCCC[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000753702924 1045792297 /nfs/dbraw/zinc/79/22/97/1045792297.db2.gz BUTDRAZGEMIVOQ-GOSISDBHSA-N 1 0 301.409 4.265 20 30 DIEDRO C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)cc1F ZINC000753763235 1045800861 /nfs/dbraw/zinc/80/08/61/1045800861.db2.gz NKUQQXUSKQYVSO-BZNIZROVSA-N 1 0 314.791 4.169 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1ccncc1 ZINC000753860061 1045812574 /nfs/dbraw/zinc/81/25/74/1045812574.db2.gz XZNFCHBOVIAUJK-ZWKOTPCHSA-N 1 0 300.352 4.254 20 30 DIEDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237522002 1045813254 /nfs/dbraw/zinc/81/32/54/1045813254.db2.gz PKZGODGKGPDTSW-DLBZAZTESA-N 1 0 300.446 4.285 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](C)Cc2ccccc2)c1 ZINC000753964346 1045825026 /nfs/dbraw/zinc/82/50/26/1045825026.db2.gz DECCNEULUZAAOF-PXNSSMCTSA-N 1 0 322.452 4.336 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](C)Cc2ccccc2)c1 ZINC000753965177 1045826202 /nfs/dbraw/zinc/82/62/02/1045826202.db2.gz DECCNEULUZAAOF-XLIONFOSSA-N 1 0 322.452 4.336 20 30 DIEDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237537420 1045833765 /nfs/dbraw/zinc/83/37/65/1045833765.db2.gz MDFSBQDNVKMDFS-FUHWJXTLSA-N 1 0 300.446 4.285 20 30 DIEDRO CCC[N@H+](CCO[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000801915445 1045834848 /nfs/dbraw/zinc/83/48/48/1045834848.db2.gz LIKJPWWQZNHNTL-HUUCEWRRSA-N 1 0 300.402 4.134 20 30 DIEDRO C=C(C)CCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC001125051778 1045843875 /nfs/dbraw/zinc/84/38/75/1045843875.db2.gz TUZKNVCEBODAOT-QGZVFWFLSA-N 1 0 314.473 4.034 20 30 DIEDRO CC(C)[C@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(C(C)(C)C)cc1 ZINC000801928954 1045847903 /nfs/dbraw/zinc/84/79/03/1045847903.db2.gz CJICBANWGRXTBQ-YJBOKZPZSA-N 1 0 302.462 4.199 20 30 DIEDRO CC(C)Cc1ccc([C@@H]([NH2+]CCO[C@@H](C)C#N)C(C)C)cc1 ZINC000801929702 1045848159 /nfs/dbraw/zinc/84/81/59/1045848159.db2.gz TUAPOYJMBQJGPG-LPHOPBHVSA-N 1 0 302.462 4.100 20 30 DIEDRO CC[C@H](C)c1ccc([C@@H]([NH2+]CCO[C@H](C)C#N)C(C)C)cc1 ZINC000801928943 1045848382 /nfs/dbraw/zinc/84/83/82/1045848382.db2.gz CAUUHQHUSIUTOL-FCEWJHQRSA-N 1 0 302.462 4.415 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000801929889 1045848660 /nfs/dbraw/zinc/84/86/60/1045848660.db2.gz XPWLIRPWDMRLBK-NQIIRXRSSA-N 1 0 322.452 4.269 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000801929892 1045848821 /nfs/dbraw/zinc/84/88/21/1045848821.db2.gz XPWLIRPWDMRLBK-WIYYLYMNSA-N 1 0 322.452 4.269 20 30 DIEDRO CC[N@H+](CCO[C@@H](C)C#N)C(c1ccccc1)c1ccccc1 ZINC000801931970 1045850217 /nfs/dbraw/zinc/85/02/17/1045850217.db2.gz FGAIKUAYPBBMHY-KRWDZBQOSA-N 1 0 308.425 4.027 20 30 DIEDRO CCC[C@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000801937177 1045852502 /nfs/dbraw/zinc/85/25/02/1045852502.db2.gz GFWQXLRRNVAMIG-NHYWBVRUSA-N 1 0 315.244 4.353 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000801937145 1045853008 /nfs/dbraw/zinc/85/30/08/1045853008.db2.gz FMVGMBYQSCACDZ-APWZRJJASA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H](CC1CCCCC1)c1ccccc1 ZINC000801937148 1045853168 /nfs/dbraw/zinc/85/31/68/1045853168.db2.gz FMVGMBYQSCACDZ-VQIMIIECSA-N 1 0 300.446 4.216 20 30 DIEDRO CCC[C@H]([NH2+]CCO[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC000801937041 1045853827 /nfs/dbraw/zinc/85/38/27/1045853827.db2.gz CCRDLIKQIOXVQN-WFASDCNBSA-N 1 0 314.351 4.065 20 30 DIEDRO CC(C)=CC[N@@H+](CCO[C@H](C)C#N)Cc1ccc(Cl)cc1 ZINC000801953900 1045859245 /nfs/dbraw/zinc/85/92/45/1045859245.db2.gz YILJMUGBTRWJRK-OAHLLOKOSA-N 1 0 306.837 4.037 20 30 DIEDRO C#CCC[NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801954674 1045859715 /nfs/dbraw/zinc/85/97/15/1045859715.db2.gz HPDFRPQDLIVINO-IRXDYDNUSA-N 1 0 322.855 4.006 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@]2(C)CCCS2)ccc1OC ZINC000531563599 1045872068 /nfs/dbraw/zinc/87/20/68/1045872068.db2.gz DVRNZDVICBQJMU-GOSISDBHSA-N 1 0 321.486 4.025 20 30 DIEDRO C=CCCCC(=O)OC[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000802146735 1045908349 /nfs/dbraw/zinc/90/83/49/1045908349.db2.gz AKXFTEUJFIXVFX-APWZRJJASA-N 1 0 319.420 4.061 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC001137639262 1045913902 /nfs/dbraw/zinc/91/39/02/1045913902.db2.gz VAGVYEKWQZBSRQ-UHFFFAOYSA-N 1 0 307.235 4.109 20 30 DIEDRO C#CCC[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000754770346 1045925601 /nfs/dbraw/zinc/92/56/01/1045925601.db2.gz YHEOFESBJZRFBJ-NSHDSACASA-N 1 0 304.846 4.446 20 30 DIEDRO CC(C)([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccs1 ZINC000754833931 1045930289 /nfs/dbraw/zinc/93/02/89/1045930289.db2.gz WNGVMTWKSRCXCM-UHFFFAOYSA-N 1 0 320.845 4.329 20 30 DIEDRO Cc1cccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1F ZINC001137679933 1045932634 /nfs/dbraw/zinc/93/26/34/1045932634.db2.gz DFVPJOSLCJZACA-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)c(C#N)c1 ZINC001137698207 1045938797 /nfs/dbraw/zinc/93/87/97/1045938797.db2.gz NWNVQXVBOVKFDY-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c(C#N)c1 ZINC001137704920 1045939307 /nfs/dbraw/zinc/93/93/07/1045939307.db2.gz ZNNLAWZNRVWUAV-GOSISDBHSA-N 1 0 320.436 4.337 20 30 DIEDRO CCCCCCCCC[C@H](C)OCCC[NH+]1CCN(C)CC1 ZINC001206596689 1045942026 /nfs/dbraw/zinc/94/20/26/1045942026.db2.gz QBAUHXKZFWBEAQ-IBGZPJMESA-N 1 0 312.542 4.170 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001258229587 1045942996 /nfs/dbraw/zinc/94/29/96/1045942996.db2.gz RUMRABBHWVQRIA-MRXNPFEDSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000755041761 1045947534 /nfs/dbraw/zinc/94/75/34/1045947534.db2.gz TVHASLHVALYDMZ-CQSZACIVSA-N 1 0 317.433 4.366 20 30 DIEDRO Cc1ccc([C@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000192943757 1045955083 /nfs/dbraw/zinc/95/50/83/1045955083.db2.gz UUOIVJYDHMWBHU-FQEVSTJZSA-N 1 0 306.409 4.138 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000453242982 1046000585 /nfs/dbraw/zinc/00/05/85/1046000585.db2.gz BZORIAUINHTSCD-JSGCOSHPSA-N 1 0 324.346 4.246 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3c(F)cc(F)cc31)CC2 ZINC000453247561 1046001388 /nfs/dbraw/zinc/00/13/88/1046001388.db2.gz NSVIEHSGOHHYSG-VQTJNVASSA-N 1 0 324.374 4.491 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788940 1046006177 /nfs/dbraw/zinc/00/61/77/1046006177.db2.gz KESPAKZQKKRCNH-DLBZAZTESA-N 1 0 323.440 4.150 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000829779436 1046006365 /nfs/dbraw/zinc/00/63/65/1046006365.db2.gz USGMOYBCERKTMR-KGLIPLIRSA-N 1 0 317.383 4.228 20 30 DIEDRO C#CC[C@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000829768250 1046007348 /nfs/dbraw/zinc/00/73/48/1046007348.db2.gz AMAQXNJGFIKYCA-ZDUSSCGKSA-N 1 0 302.468 4.107 20 30 DIEDRO C#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000829778896 1046007052 /nfs/dbraw/zinc/00/70/52/1046007052.db2.gz JWIUURCUIDYMNQ-ZDUSSCGKSA-N 1 0 302.468 4.107 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000237589395 1046009138 /nfs/dbraw/zinc/00/91/38/1046009138.db2.gz YDYQXLHUPADLFW-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO CSCC1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000453269353 1046010427 /nfs/dbraw/zinc/01/04/27/1046010427.db2.gz MNMVSLOVFFVFSV-FUJMWEONSA-N 1 0 306.450 4.270 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H](C)C(C)(C)C)ccc1OC ZINC000802644155 1046023175 /nfs/dbraw/zinc/02/31/75/1046023175.db2.gz TZZYLCDILCJVMY-GOEBONIOSA-N 1 0 318.461 4.148 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@H](C)C(C)(C)C)ccc1OC ZINC000802644156 1046023182 /nfs/dbraw/zinc/02/31/82/1046023182.db2.gz TZZYLCDILCJVMY-HOCLYGCPSA-N 1 0 318.461 4.148 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000453306905 1046028419 /nfs/dbraw/zinc/02/84/19/1046028419.db2.gz KFQVDNBGBKTTRU-LJQANCHMSA-N 1 0 310.441 4.176 20 30 DIEDRO C#CC1CCN(Cc2cc(C(F)(F)F)cc(Cl)c2F)CC1 ZINC001137990096 1046047552 /nfs/dbraw/zinc/04/75/52/1046047552.db2.gz AGOBVPSLCFADCO-UHFFFAOYSA-N 1 0 319.729 4.343 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1 ZINC000902720976 1046049201 /nfs/dbraw/zinc/04/92/01/1046049201.db2.gz RSJPZQLDZCMBPG-MOPGFXCFSA-N 1 0 323.440 4.029 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1cc(C#N)ccn1 ZINC000902720850 1046049634 /nfs/dbraw/zinc/04/96/34/1046049634.db2.gz OOKDBXRXQBJWGT-LLVKDONJSA-N 1 0 320.223 4.153 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000902726419 1046050794 /nfs/dbraw/zinc/05/07/94/1046050794.db2.gz PCSHAVSAWKSVPS-KBXCAEBGSA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc2c(c1)CCCC2 ZINC000902728265 1046051671 /nfs/dbraw/zinc/05/16/71/1046051671.db2.gz OZHUOFGPNHRZLS-GJZGRUSLSA-N 1 0 305.425 4.244 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1cccc(C#N)c1 ZINC000902731669 1046053293 /nfs/dbraw/zinc/05/32/93/1046053293.db2.gz NTWPXGQBGIVVCV-XOBRGWDASA-N 1 0 321.424 4.319 20 30 DIEDRO CCOCc1ccccc1C[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902734363 1046054661 /nfs/dbraw/zinc/05/46/61/1046054661.db2.gz UMZSCAJVYCNWDO-HXUWFJFHSA-N 1 0 308.425 4.336 20 30 DIEDRO CC(N=Nc1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779754687 1046056625 /nfs/dbraw/zinc/05/66/25/1046056625.db2.gz VBWLMCAQLJXMIO-QGZVFWFLSA-N 1 0 311.404 4.136 20 30 DIEDRO CCOCc1ccc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)cc1 ZINC000902741425 1046056609 /nfs/dbraw/zinc/05/66/09/1046056609.db2.gz RAURGDIHHCDOGF-FQEVSTJZSA-N 1 0 308.425 4.336 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000453358746 1046057019 /nfs/dbraw/zinc/05/70/19/1046057019.db2.gz OQOJZZNJYCRGAL-SMDDNHRTSA-N 1 0 322.499 4.158 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1cccc(C#N)c1 ZINC000902756775 1046063382 /nfs/dbraw/zinc/06/33/82/1046063382.db2.gz LPUDCCADLGNONO-IBGZPJMESA-N 1 0 322.456 4.040 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000902765972 1046064099 /nfs/dbraw/zinc/06/40/99/1046064099.db2.gz DHDJLYRIMVLXIM-ACJLOTCBSA-N 1 0 309.369 4.268 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccco1 ZINC000453362523 1046065061 /nfs/dbraw/zinc/06/50/61/1046065061.db2.gz QSFIZQRGNBEMSO-AOIWGVFYSA-N 1 0 312.413 4.192 20 30 DIEDRO COc1ccc(N=NC(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779786061 1046066609 /nfs/dbraw/zinc/06/66/09/1046066609.db2.gz YCWJLSKTSDQJLY-SFHVURJKSA-N 1 0 323.440 4.005 20 30 DIEDRO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902788629 1046068496 /nfs/dbraw/zinc/06/84/96/1046068496.db2.gz AMWHSBIIBZTJHI-KGLIPLIRSA-N 1 0 311.454 4.477 20 30 DIEDRO CCSc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902788630 1046068853 /nfs/dbraw/zinc/06/88/53/1046068853.db2.gz AMWHSBIIBZTJHI-UONOGXRCSA-N 1 0 311.454 4.477 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)s2)CC1 ZINC000902795161 1046071013 /nfs/dbraw/zinc/07/10/13/1046071013.db2.gz BBBHTYIJLSGZTQ-NSHDSACASA-N 1 0 318.408 4.068 20 30 DIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H](C)c2cc(C#N)ccn2)c1C ZINC000902794264 1046071392 /nfs/dbraw/zinc/07/13/92/1046071392.db2.gz UQGKZOWPTIFQLE-OAHLLOKOSA-N 1 0 318.424 4.211 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH+]2CCC(Cc3cccc(F)c3F)CC2)C1 ZINC000453371995 1046071199 /nfs/dbraw/zinc/07/11/99/1046071199.db2.gz RVWCWJBPEYXPJB-DOTOQJQBSA-N 1 0 318.411 4.302 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)c1ccncc1 ZINC000902805594 1046073772 /nfs/dbraw/zinc/07/37/72/1046073772.db2.gz CNTAGJABRXCCGD-AABGKKOBSA-N 1 0 314.473 4.274 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000453379539 1046074869 /nfs/dbraw/zinc/07/48/69/1046074869.db2.gz YTUXEHGOYAFEKT-OCCSQVGLSA-N 1 0 315.429 4.022 20 30 DIEDRO C#C[C@@H]1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001138051570 1046075181 /nfs/dbraw/zinc/07/51/81/1046075181.db2.gz AMTAITUYGVRESD-LLVKDONJSA-N 1 0 301.739 4.204 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(Cl)s1 ZINC000902803577 1046075211 /nfs/dbraw/zinc/07/52/11/1046075211.db2.gz ISNPDVUCKWYHBK-JQWIXIFHSA-N 1 0 305.834 4.470 20 30 DIEDRO CCCN(CCC#N)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138051959 1046075269 /nfs/dbraw/zinc/07/52/69/1046075269.db2.gz SEQKJCVSCPWKAE-UHFFFAOYSA-N 1 0 304.743 4.484 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccco1 ZINC000453401145 1046077936 /nfs/dbraw/zinc/07/79/36/1046077936.db2.gz YYTWJRVXRWIWPF-SZVBFZGTSA-N 1 0 312.413 4.192 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000193872222 1046078477 /nfs/dbraw/zinc/07/84/77/1046078477.db2.gz HLUKIBIFTLTJRQ-YCRPNKLZSA-N 1 0 316.404 4.096 20 30 DIEDRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000193904497 1046080475 /nfs/dbraw/zinc/08/04/75/1046080475.db2.gz PMMZYHCONBBVBV-IAGOWNOFSA-N 1 0 308.425 4.179 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(O)c2ccccc12 ZINC001138062587 1046080594 /nfs/dbraw/zinc/08/05/94/1046080594.db2.gz RKXDBQKZMCKVRC-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000902826561 1046081557 /nfs/dbraw/zinc/08/15/57/1046081557.db2.gz FNOIJSGBZHJUML-HUUCEWRRSA-N 1 0 322.408 4.065 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCc1c(C)noc1C)[C@]1(C)CCCCO1 ZINC000902839275 1046082398 /nfs/dbraw/zinc/08/23/98/1046082398.db2.gz PYARGSNZQQKNCV-MOPGFXCFSA-N 1 0 320.477 4.108 20 30 DIEDRO N#C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001138079958 1046083625 /nfs/dbraw/zinc/08/36/25/1046083625.db2.gz IGQVCYUZTUYWGU-SFHVURJKSA-N 1 0 320.436 4.391 20 30 DIEDRO N#C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001138079957 1046083682 /nfs/dbraw/zinc/08/36/82/1046083682.db2.gz IGQVCYUZTUYWGU-GOSISDBHSA-N 1 0 320.436 4.391 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)c2ccccc21)c1cc(C#N)ccn1 ZINC000902855010 1046086096 /nfs/dbraw/zinc/08/60/96/1046086096.db2.gz QUZOSZVWIXVKGP-KBXCAEBGSA-N 1 0 305.425 4.417 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C(F)(F)F ZINC001138092303 1046088432 /nfs/dbraw/zinc/08/84/32/1046088432.db2.gz BXMVWTOMXKFJJE-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000902860300 1046089982 /nfs/dbraw/zinc/08/99/82/1046089982.db2.gz REUCMXPZKDNEEH-QZTJIDSGSA-N 1 0 310.372 4.262 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1cccc(C#N)c1 ZINC000902866294 1046094333 /nfs/dbraw/zinc/09/43/33/1046094333.db2.gz DLHHEXBBGFGDOA-ROUUACIJSA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1cc(C#N)ccn1 ZINC000902874419 1046097855 /nfs/dbraw/zinc/09/78/55/1046097855.db2.gz FQBKFHULBRKAIC-GHMZBOCLSA-N 1 0 303.768 4.158 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1cccc(C#N)c1 ZINC000902880205 1046100328 /nfs/dbraw/zinc/10/03/28/1046100328.db2.gz FXDWPKLJLKEMPH-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000902894929 1046103873 /nfs/dbraw/zinc/10/38/73/1046103873.db2.gz QDYZIODYSAADGG-CXAGYDPISA-N 1 0 309.369 4.268 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccncc1 ZINC000756585811 1046104115 /nfs/dbraw/zinc/10/41/15/1046104115.db2.gz YZKMUONIOHBKAH-MLGOLLRUSA-N 1 0 302.805 4.409 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccncc1 ZINC000756582940 1046104799 /nfs/dbraw/zinc/10/47/99/1046104799.db2.gz LMHBTXQHKKARMK-UHOFOFEASA-N 1 0 312.388 4.382 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000902894932 1046104776 /nfs/dbraw/zinc/10/47/76/1046104776.db2.gz QDYZIODYSAADGG-SUMWQHHRSA-N 1 0 309.369 4.268 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc2ccccc2o1 ZINC000194802061 1046109120 /nfs/dbraw/zinc/10/91/20/1046109120.db2.gz GPDOKDBEPMZHHQ-AWEZNQCLSA-N 1 0 306.365 4.186 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(C#N)c1 ZINC000902919613 1046114300 /nfs/dbraw/zinc/11/43/00/1046114300.db2.gz OAZOLIMQSKIWLU-IBGZPJMESA-N 1 0 301.393 4.160 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(C#N)ccn1 ZINC000902941546 1046117953 /nfs/dbraw/zinc/11/79/53/1046117953.db2.gz ALHVCVFLMNOCNF-KUHUBIRLSA-N 1 0 321.399 4.379 20 30 DIEDRO CC[C@H]([NH2+][C@@H](CCOC)c1ccc(C)o1)c1cccc(C#N)c1 ZINC000902943279 1046119104 /nfs/dbraw/zinc/11/91/04/1046119104.db2.gz XRCJFDOHWOZWFJ-ROUUACIJSA-N 1 0 312.413 4.278 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1cccc(C#N)c1 ZINC000902945858 1046121357 /nfs/dbraw/zinc/12/13/57/1046121357.db2.gz WLWMUPVQHBUPMP-DOTOQJQBSA-N 1 0 311.454 4.442 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000756709314 1046121493 /nfs/dbraw/zinc/12/14/93/1046121493.db2.gz KUCWLJJFZDOYCR-HXUWFJFHSA-N 1 0 309.409 4.231 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000756708714 1046122149 /nfs/dbraw/zinc/12/21/49/1046122149.db2.gz HMSMQCJDQPCPNX-RDJZCZTQSA-N 1 0 324.424 4.232 20 30 DIEDRO C#CCCCCCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000779839316 1046122526 /nfs/dbraw/zinc/12/25/26/1046122526.db2.gz LXKIXPJYTWPWKY-UHFFFAOYSA-N 1 0 312.457 4.195 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000756733931 1046123865 /nfs/dbraw/zinc/12/38/65/1046123865.db2.gz TZHUNDHFTKZXNG-RWSFTLGLSA-N 1 0 302.245 4.360 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1 ZINC000902965964 1046130407 /nfs/dbraw/zinc/13/04/07/1046130407.db2.gz BDKQXMIVJVFLBO-QZTJIDSGSA-N 1 0 310.372 4.262 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000756776878 1046131831 /nfs/dbraw/zinc/13/18/31/1046131831.db2.gz UGRPRWSOGGLAIB-XOKHGSTOSA-N 1 0 309.384 4.434 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902966314 1046132476 /nfs/dbraw/zinc/13/24/76/1046132476.db2.gz DCDKQLWIQLIGHS-WDYCEAGBSA-N 1 0 305.425 4.015 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000902978326 1046135157 /nfs/dbraw/zinc/13/51/57/1046135157.db2.gz CWHCAWZHBYKLQK-MJVIPROJSA-N 1 0 319.392 4.399 20 30 DIEDRO C=CCC[C@H]([NH2+]CC1CCC(C#N)CC1)[C@]1(C)CCCCO1 ZINC000902980725 1046135348 /nfs/dbraw/zinc/13/53/48/1046135348.db2.gz BLLRLPOEXVJVOH-BTRQGYIVSA-N 1 0 304.478 4.200 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cc(C#N)ccn1 ZINC000902978840 1046135736 /nfs/dbraw/zinc/13/57/36/1046135736.db2.gz KZCWLZQMQZUXBM-NUTKFTJISA-N 1 0 311.816 4.203 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](CCc2ccccc2)c2cccnc2)C1 ZINC000903006116 1046140023 /nfs/dbraw/zinc/14/00/23/1046140023.db2.gz DCLDSGOMHJDEJC-JBACZVJFSA-N 1 0 319.452 4.427 20 30 DIEDRO N#CCC[N@H+](Cc1cccc2nccnc12)C1CCCCCCC1 ZINC001138303414 1046142640 /nfs/dbraw/zinc/14/26/40/1046142640.db2.gz WZFOZBGNVKYCSQ-UHFFFAOYSA-N 1 0 322.456 4.458 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@H](CCc1ccccc1)c1cccnc1 ZINC000903015692 1046143021 /nfs/dbraw/zinc/14/30/21/1046143021.db2.gz ANYGQYHRRGJXRM-LJQANCHMSA-N 1 0 307.441 4.285 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CCc2cccnc2)c2ccccc2)C1 ZINC000903026293 1046144466 /nfs/dbraw/zinc/14/44/66/1046144466.db2.gz NJGPNLMVVLJBKB-HOJAQTOUSA-N 1 0 305.425 4.037 20 30 DIEDRO COc1cc2ccc([C@H](C)[NH2+]CC3(C#N)CCC3)cc2cc1OC ZINC000903035498 1046144788 /nfs/dbraw/zinc/14/47/88/1046144788.db2.gz QJMFIEHLWPKOTR-AWEZNQCLSA-N 1 0 324.424 4.201 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000903025520 1046145345 /nfs/dbraw/zinc/14/53/45/1046145345.db2.gz DVECSWZJIKGSPI-DCAQKATOSA-N 1 0 305.365 4.009 20 30 DIEDRO COC1(C)CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138335253 1046152729 /nfs/dbraw/zinc/15/27/29/1046152729.db2.gz JYTIXEHTVUTYIN-UHFFFAOYSA-N 1 0 319.448 4.087 20 30 DIEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)[C@@H](C)C1 ZINC001138336042 1046152799 /nfs/dbraw/zinc/15/27/99/1046152799.db2.gz IMJUPWFRTDMTHK-AVRDEDQJSA-N 1 0 319.448 4.086 20 30 DIEDRO C[N@H+](Cc1ccc(C#Cc2ccccc2)cc1)Cc1cccnc1 ZINC001138333458 1046153000 /nfs/dbraw/zinc/15/30/00/1046153000.db2.gz CVRGPUWVUKTHMX-UHFFFAOYSA-N 1 0 312.416 4.113 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000779879022 1046153285 /nfs/dbraw/zinc/15/32/85/1046153285.db2.gz IKQLXLQSFSAMKG-UHFFFAOYSA-N 1 0 324.424 4.143 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336350 1046153802 /nfs/dbraw/zinc/15/38/02/1046153802.db2.gz QFKJAULNAAGHOA-UHFFFAOYSA-N 1 0 314.432 4.212 20 30 DIEDRO C#CCOc1ccc(C[N@H+](Cc2ccccc2)C(C)C)cc1OC ZINC001138341117 1046154608 /nfs/dbraw/zinc/15/46/08/1046154608.db2.gz IAVVRHZDBWUAFU-UHFFFAOYSA-N 1 0 323.436 4.118 20 30 DIEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC001138345400 1046155022 /nfs/dbraw/zinc/15/50/22/1046155022.db2.gz FGTYVWLGSDNAOF-LJQANCHMSA-N 1 0 321.420 4.044 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)c1cc(C#N)ccn1 ZINC000903073911 1046156354 /nfs/dbraw/zinc/15/63/54/1046156354.db2.gz SAHVOQQKIHSPLQ-SJKOYZFVSA-N 1 0 311.816 4.335 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1csc(Br)c1)c1ccccc1 ZINC000756995446 1046157609 /nfs/dbraw/zinc/15/76/09/1046157609.db2.gz HZRLOTPYTGBKDW-CQSZACIVSA-N 1 0 320.255 4.365 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc2cccc(OC)c2o1)c1ccccc1 ZINC000756996363 1046157744 /nfs/dbraw/zinc/15/77/44/1046157744.db2.gz FASXWOFPRNARII-SFHVURJKSA-N 1 0 305.377 4.296 20 30 DIEDRO CC[C@H]([NH2+]CCSCCC(F)(F)F)c1cccc(C#N)c1 ZINC000903080337 1046158609 /nfs/dbraw/zinc/15/86/09/1046158609.db2.gz JNZOUKPKZYWOPG-AWEZNQCLSA-N 1 0 316.392 4.285 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccccc1 ZINC000756998149 1046159540 /nfs/dbraw/zinc/15/95/40/1046159540.db2.gz RLVRRVCYLGJYKD-IBGZPJMESA-N 1 0 305.421 4.254 20 30 DIEDRO CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000903103567 1046164029 /nfs/dbraw/zinc/16/40/29/1046164029.db2.gz KABMKPBTLRSQGR-GJZGRUSLSA-N 1 0 322.408 4.033 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000757145675 1046168824 /nfs/dbraw/zinc/16/88/24/1046168824.db2.gz KXMACXVOWJIPIX-UHFFFAOYSA-N 1 0 308.400 4.185 20 30 DIEDRO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1C)C1CCCCC1 ZINC001138440063 1046182219 /nfs/dbraw/zinc/18/22/19/1046182219.db2.gz BRFRXOUODVMXCO-UHFFFAOYSA-N 1 0 303.446 4.333 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1snnc1C)c1cccc(Cl)c1 ZINC000903175201 1046182796 /nfs/dbraw/zinc/18/27/96/1046182796.db2.gz RINWMAXQINKDNJ-AWEZNQCLSA-N 1 0 307.850 4.297 20 30 DIEDRO CC[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1ccc(C#N)cc1 ZINC000903182148 1046184242 /nfs/dbraw/zinc/18/42/42/1046184242.db2.gz OKCUXVVWEQQPOA-LJQANCHMSA-N 1 0 305.425 4.073 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(Cl)c1 ZINC000903216782 1046196159 /nfs/dbraw/zinc/19/61/59/1046196159.db2.gz ILNDUKTWNGIIDJ-YOEHRIQHSA-N 1 0 321.848 4.280 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(Cl)c1 ZINC000903216780 1046196649 /nfs/dbraw/zinc/19/66/49/1046196649.db2.gz ILNDUKTWNGIIDJ-RHSMWYFYSA-N 1 0 321.848 4.280 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1C ZINC000903233119 1046199821 /nfs/dbraw/zinc/19/98/21/1046199821.db2.gz ADNXXYXLZILKLM-JKSUJKDBSA-N 1 0 324.424 4.318 20 30 DIEDRO COc1cc(C[N@H+](CCc2ccccc2)C(C)C)ccc1C#N ZINC001204697244 1046204730 /nfs/dbraw/zinc/20/47/30/1046204730.db2.gz NPHJXXIYVFUVLC-UHFFFAOYSA-N 1 0 308.425 4.020 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]c2ccc(OC)cc12)Cc1ccccc1 ZINC001138510230 1046205943 /nfs/dbraw/zinc/20/59/43/1046205943.db2.gz TWVXKUBEAJAPFJ-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635844868 1046206103 /nfs/dbraw/zinc/20/61/03/1046206103.db2.gz UOTMQJXMFHQGEI-UHFFFAOYSA-N 1 0 316.489 4.455 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCC(CC#N)CC3)cc2)cc1 ZINC001138516489 1046208422 /nfs/dbraw/zinc/20/84/22/1046208422.db2.gz MMNKBIDGSWJNOF-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCC(C)(C#N)CC3)cc2)cc1 ZINC001138518353 1046209689 /nfs/dbraw/zinc/20/96/89/1046209689.db2.gz ZBXBBQPICCJFHK-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(Cl)c2)cc1C#N ZINC000087822516 1046211718 /nfs/dbraw/zinc/21/17/18/1046211718.db2.gz CZBMGMAVGDWAJA-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cc1C#N ZINC000087822514 1046211798 /nfs/dbraw/zinc/21/17/98/1046211798.db2.gz CZBMGMAVGDWAJA-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC001138556183 1046226625 /nfs/dbraw/zinc/22/66/25/1046226625.db2.gz JEWOJWZGQDVMIE-FQEVSTJZSA-N 1 0 309.384 4.175 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000831938098 1046227990 /nfs/dbraw/zinc/22/79/90/1046227990.db2.gz YEHLUIJWCXNMEH-IRXDYDNUSA-N 1 0 308.510 4.140 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)cc1 ZINC000245430712 1046236414 /nfs/dbraw/zinc/23/64/14/1046236414.db2.gz MBOOEYSTJXJWMD-IKGGRYGDSA-N 1 0 308.425 4.259 20 30 DIEDRO Cc1cc(N=NC2CCC[N@@H+](C)CC2)nc2ccc(Cl)cc12 ZINC000758099658 1046245671 /nfs/dbraw/zinc/24/56/71/1046245671.db2.gz MYHYPCUSSKIPDE-UHFFFAOYSA-N 1 0 316.836 4.080 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1O ZINC001138629447 1046247159 /nfs/dbraw/zinc/24/71/59/1046247159.db2.gz ZGPYIIGHKHJCDC-IBGZPJMESA-N 1 0 308.425 4.243 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903336538 1046247711 /nfs/dbraw/zinc/24/77/11/1046247711.db2.gz ZXTLDHZBZQOQSH-CTNGQTDRSA-N 1 0 317.436 4.462 20 30 DIEDRO C=CCc1cccc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c1O ZINC001138630903 1046249409 /nfs/dbraw/zinc/24/94/09/1046249409.db2.gz FXLGUUYNCSGACH-OXJNMPFZSA-N 1 0 323.436 4.083 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1O ZINC001138629832 1046249820 /nfs/dbraw/zinc/24/98/20/1046249820.db2.gz IICRAMXOOHDMGR-HDICACEKSA-N 1 0 305.421 4.207 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1O ZINC001138629666 1046249935 /nfs/dbraw/zinc/24/99/35/1046249935.db2.gz DZNAXOXSNVPDRZ-SFHVURJKSA-N 1 0 323.436 4.119 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1C ZINC000897417261 1046251561 /nfs/dbraw/zinc/25/15/61/1046251561.db2.gz HAQPWKPXNMFPEX-HZPDHXFCSA-N 1 0 324.424 4.145 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001138665820 1046259371 /nfs/dbraw/zinc/25/93/71/1046259371.db2.gz XGHMIXFRMCQYKA-FQEVSTJZSA-N 1 0 322.452 4.244 20 30 DIEDRO C=C(C)COc1ccccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC001138664886 1046259613 /nfs/dbraw/zinc/25/96/13/1046259613.db2.gz ZHHAXPWVLDRLOV-UHFFFAOYSA-N 1 0 322.452 4.416 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+](C)CCC(=O)c1ccccc1 ZINC001138665274 1046261200 /nfs/dbraw/zinc/26/12/00/1046261200.db2.gz KVJLTVYKBCHJCF-UHFFFAOYSA-N 1 0 323.436 4.346 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)cc1 ZINC000245710863 1046262028 /nfs/dbraw/zinc/26/20/28/1046262028.db2.gz FYISTDXTVXHQLG-WWMYMODYSA-N 1 0 320.436 4.355 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccccc1N1CCC(O)CC1 ZINC001138760437 1046289853 /nfs/dbraw/zinc/28/98/53/1046289853.db2.gz IFRWPKPWBHPIIW-UHFFFAOYSA-N 1 0 318.505 4.050 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1ccnn1[C@H]1CCCCO1 ZINC001138780658 1046291346 /nfs/dbraw/zinc/29/13/46/1046291346.db2.gz YMDBQMBQDIKMFX-GOSISDBHSA-N 1 0 307.482 4.375 20 30 DIEDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000245970590 1046292231 /nfs/dbraw/zinc/29/22/31/1046292231.db2.gz FLCRSVKJASWOFK-NHCUHLMSSA-N 1 0 320.436 4.046 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCC2(C)C)ccc1OC ZINC000089632509 1046294056 /nfs/dbraw/zinc/29/40/56/1046294056.db2.gz ZKXKSZJUAWVBNV-CRAIPNDOSA-N 1 0 316.445 4.044 20 30 DIEDRO CCCC[C@@H](C)[NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000089632323 1046294115 /nfs/dbraw/zinc/29/41/15/1046294115.db2.gz QVMWXFCYWFPEHR-ZBFHGGJFSA-N 1 0 304.434 4.044 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001168185247 1046319546 /nfs/dbraw/zinc/31/95/46/1046319546.db2.gz YVBWIRBLBAGQDE-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001168185246 1046319651 /nfs/dbraw/zinc/31/96/51/1046319651.db2.gz YVBWIRBLBAGQDE-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO Cc1ccc(C2=CC[N@H+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000795386229 1046325012 /nfs/dbraw/zinc/32/50/12/1046325012.db2.gz NXDHWAMIVFSZER-UHFFFAOYSA-N 1 0 318.420 4.035 20 30 DIEDRO Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H](CC#N)C3)ccc21 ZINC001138918868 1046326150 /nfs/dbraw/zinc/32/61/50/1046326150.db2.gz QOCVLSMAEXFCRP-INIZCTEOSA-N 1 0 317.436 4.457 20 30 DIEDRO Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H](C#N)CC3)ccc21 ZINC001138918553 1046327619 /nfs/dbraw/zinc/32/76/19/1046327619.db2.gz IGWOPJPDCDINAL-MRXNPFEDSA-N 1 0 317.436 4.457 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCC[C@H]2C)ccc1OC ZINC000246485236 1046361302 /nfs/dbraw/zinc/36/13/02/1046361302.db2.gz RNWHTCBAURZVQU-OIISXLGYSA-N 1 0 316.445 4.044 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001442105550 1046377059 /nfs/dbraw/zinc/37/70/59/1046377059.db2.gz MLPHXWHXGSZCHW-SFHVURJKSA-N 1 0 310.526 4.316 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1cccc(C#N)c1 ZINC000610829710 1046379350 /nfs/dbraw/zinc/37/93/50/1046379350.db2.gz GHVDJFBBBHSEPU-GHMZBOCLSA-N 1 0 304.315 4.387 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780727600 1046400367 /nfs/dbraw/zinc/40/03/67/1046400367.db2.gz DAMFXBFMDBISFN-HUUCEWRRSA-N 1 0 322.836 4.039 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000780743718 1046402155 /nfs/dbraw/zinc/40/21/55/1046402155.db2.gz SXTWESQCGZKPGY-WBVHZDCISA-N 1 0 323.864 4.428 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000090883804 1046427155 /nfs/dbraw/zinc/42/71/55/1046427155.db2.gz GFAYRCBHTROXGF-LBPRGKRZSA-N 1 0 301.402 4.245 20 30 DIEDRO N#Cc1ccnc(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)c1 ZINC001168208373 1046422067 /nfs/dbraw/zinc/42/20/67/1046422067.db2.gz ONPYRMZTAGNENA-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO N#Cc1ccnc(C[NH2+][C@H](c2ccccc2)C2CCCCC2)c1 ZINC001168208375 1046422358 /nfs/dbraw/zinc/42/23/58/1046422358.db2.gz ONPYRMZTAGNENA-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO COc1ccc(-c2ccc(CN3CCC[C@H](C#N)C3)s2)cc1 ZINC001139287351 1046425809 /nfs/dbraw/zinc/42/58/09/1046425809.db2.gz LYZJWABHVXCHGX-CQSZACIVSA-N 1 0 312.438 4.159 20 30 DIEDRO C[C@H](C=[NH+]n1cnnc1-c1ccccc1)CCc1ccccc1 ZINC000749158789 1046434973 /nfs/dbraw/zinc/43/49/73/1046434973.db2.gz RVUDIRRCNFOCPL-INIZCTEOSA-N 1 0 304.397 4.048 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2c(Cl)ccc3cccnc32)cc1 ZINC000781412258 1046443318 /nfs/dbraw/zinc/44/33/18/1046443318.db2.gz JWNAQSQXDMFTCZ-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405096 1046443557 /nfs/dbraw/zinc/44/35/57/1046443557.db2.gz IXZRLWKGGLFFHL-IBGZPJMESA-N 1 0 305.425 4.385 20 30 DIEDRO C[C@@]1(F)CCCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139401506 1046443995 /nfs/dbraw/zinc/44/39/95/1046443995.db2.gz AUIQELXDQHDVEW-HXUWFJFHSA-N 1 0 323.415 4.334 20 30 DIEDRO CCC1CC[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139401950 1046444009 /nfs/dbraw/zinc/44/40/09/1046444009.db2.gz IQCHSXPPUHZCDE-UHFFFAOYSA-N 1 0 305.425 4.242 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cc2)c1 ZINC001139405479 1046444120 /nfs/dbraw/zinc/44/41/20/1046444120.db2.gz REYKTXXGAGDQGZ-PZJWPPBQSA-N 1 0 317.436 4.385 20 30 DIEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139404894 1046444190 /nfs/dbraw/zinc/44/41/90/1046444190.db2.gz DEPXHACSCOUNAU-MRXNPFEDSA-N 1 0 305.425 4.242 20 30 DIEDRO CCC[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)CC1CC1 ZINC001139424561 1046448445 /nfs/dbraw/zinc/44/84/45/1046448445.db2.gz RFNPVDXMARAZED-UHFFFAOYSA-N 1 0 321.424 4.368 20 30 DIEDRO C[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)CC(C)(C)C ZINC001139425705 1046449140 /nfs/dbraw/zinc/44/91/40/1046449140.db2.gz USUSGCMTPCANBW-UHFFFAOYSA-N 1 0 309.413 4.223 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C)C1 ZINC001139425906 1046449221 /nfs/dbraw/zinc/44/92/21/1046449221.db2.gz XYJIRWUVJHJFJT-CVEARBPZSA-N 1 0 321.424 4.366 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C2(CC2)C1 ZINC001139429511 1046451224 /nfs/dbraw/zinc/45/12/24/1046451224.db2.gz YXUKQBXWXMRUMT-HNNXBMFYSA-N 1 0 319.408 4.120 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cc2ccc(Br)cc2[nH]1 ZINC001139474211 1046452983 /nfs/dbraw/zinc/45/29/83/1046452983.db2.gz GPEMOACQFZXJGI-UHFFFAOYSA-N 1 0 305.219 4.104 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc2ccc(Br)cc2[nH]1 ZINC001139473773 1046453274 /nfs/dbraw/zinc/45/32/74/1046453274.db2.gz SZNDWPLFAYTSAG-UHFFFAOYSA-N 1 0 307.235 4.328 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2ccccc2)nc1 ZINC001139518145 1046459932 /nfs/dbraw/zinc/45/99/32/1046459932.db2.gz OIKUHFIBEJGEAU-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C#CC[N@H+](Cc1cnc2ccccc2c1)[C@@H]1CCc2ccccc21 ZINC001137282246 1046460363 /nfs/dbraw/zinc/46/03/63/1046460363.db2.gz MWKUVPWIQYPYAB-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccccn2)C2CCCCC2)cc1F ZINC001139529093 1046462741 /nfs/dbraw/zinc/46/27/41/1046462741.db2.gz JNPBAPFSZWYAJT-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)cc1F ZINC001139529359 1046463535 /nfs/dbraw/zinc/46/35/35/1046463535.db2.gz ORILYUUOFMCDPZ-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001139531251 1046464454 /nfs/dbraw/zinc/46/44/54/1046464454.db2.gz SKAZYEQWCXYOHK-GOSISDBHSA-N 1 0 324.399 4.086 20 30 DIEDRO CCO[C@H](CC[NH2+][C@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000575910743 1046467672 /nfs/dbraw/zinc/46/76/72/1046467672.db2.gz FIGJVOLEADIEQM-VQTJNVASSA-N 1 0 312.457 4.121 20 30 DIEDRO CC[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nc(C)cs1 ZINC000126749351 1046478462 /nfs/dbraw/zinc/47/84/62/1046478462.db2.gz BBVMWUXKGJKVJY-UPTPFMHGSA-N 1 0 311.454 4.116 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179124935 1046479067 /nfs/dbraw/zinc/47/90/67/1046479067.db2.gz REDYKSWVSDJQRC-ZDUSSCGKSA-N 1 0 302.805 4.151 20 30 DIEDRO COc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1C(C)C ZINC001139618499 1046488941 /nfs/dbraw/zinc/48/89/41/1046488941.db2.gz ZPXQRCHOZDCGGR-UHFFFAOYSA-N 1 0 300.446 4.477 20 30 DIEDRO C=CC[N@H+](Cc1[nH]nc2ccc(Br)cc21)C(C)(C)C ZINC001139660487 1046494991 /nfs/dbraw/zinc/49/49/91/1046494991.db2.gz PSEDSLKLRJWGLM-UHFFFAOYSA-N 1 0 322.250 4.112 20 30 DIEDRO C[N@H+](CC/C=C/c1cccnc1)Cc1cccc(Cl)c1C#N ZINC001139693720 1046501000 /nfs/dbraw/zinc/50/10/00/1046501000.db2.gz PRHSKODQWGHISM-QHHAFSJGSA-N 1 0 311.816 4.142 20 30 DIEDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139701205 1046501209 /nfs/dbraw/zinc/50/12/09/1046501209.db2.gz CNSGHJVCTXIOEL-AWEZNQCLSA-N 1 0 301.393 4.159 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)c[nH]c21 ZINC001139704932 1046501369 /nfs/dbraw/zinc/50/13/69/1046501369.db2.gz HPPZJOVZDIKHGZ-GOSISDBHSA-N 1 0 315.420 4.419 20 30 DIEDRO C[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1Cl ZINC001139704977 1046501661 /nfs/dbraw/zinc/50/16/61/1046501661.db2.gz HVLRKCBNKLNZES-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO N#Cc1cccc2c(C[N@H+]3CC[C@@H](c4cccc(F)c4)C3)c[nH]c21 ZINC001139706155 1046501751 /nfs/dbraw/zinc/50/17/51/1046501751.db2.gz MKWZOFPOQBRKQZ-MRXNPFEDSA-N 1 0 319.383 4.168 20 30 DIEDRO CCC[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1 ZINC001139702700 1046502450 /nfs/dbraw/zinc/50/24/50/1046502450.db2.gz FKEGZXLLROEOTG-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO N#Cc1cccc2c(C[NH+]3CCC4(CC[C@@H](F)C4)CC3)c[nH]c21 ZINC001139706289 1046502746 /nfs/dbraw/zinc/50/27/46/1046502746.db2.gz PVXQRSYKQAFCFT-MRXNPFEDSA-N 1 0 311.404 4.144 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)c1 ZINC001139725823 1046505841 /nfs/dbraw/zinc/50/58/41/1046505841.db2.gz DOGSRPZYRAFPPK-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001139723234 1046506142 /nfs/dbraw/zinc/50/61/42/1046506142.db2.gz XHQDLOUKTDPVJV-QGZVFWFLSA-N 1 0 322.452 4.328 20 30 DIEDRO Cc1ccc(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)cc1C#N ZINC001139724173 1046507133 /nfs/dbraw/zinc/50/71/33/1046507133.db2.gz MKTSBZBIHRMNHU-UHFFFAOYSA-N 1 0 324.468 4.038 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139726378 1046507622 /nfs/dbraw/zinc/50/76/22/1046507622.db2.gz LEAKNKZFNUKHOC-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO C=CCn1cc(C[NH+](Cc2ccccc2)Cc2ccccc2)cn1 ZINC001139772717 1046516791 /nfs/dbraw/zinc/51/67/91/1046516791.db2.gz PTGIOCUHYKYFNJ-UHFFFAOYSA-N 1 0 317.436 4.272 20 30 DIEDRO C=CCn1cc(C[NH+]2CCC(c3ccccc3Cl)CC2)cn1 ZINC001139770919 1046517121 /nfs/dbraw/zinc/51/71/21/1046517121.db2.gz HKHLAMMNQISKDU-UHFFFAOYSA-N 1 0 315.848 4.102 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3cc(F)cc(C#N)c3)C2)c1 ZINC001139878454 1046539660 /nfs/dbraw/zinc/53/96/60/1046539660.db2.gz MBIXKVUPLLLOIA-GOSISDBHSA-N 1 0 324.399 4.086 20 30 DIEDRO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC001139879243 1046540831 /nfs/dbraw/zinc/54/08/31/1046540831.db2.gz HRVYPIAQFVBVDI-LJQANCHMSA-N 1 0 312.363 4.044 20 30 DIEDRO CCCCCCCCCN(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000782761277 1046542521 /nfs/dbraw/zinc/54/25/21/1046542521.db2.gz CYEZUXCYBCNQMH-UHFFFAOYSA-N 1 0 308.510 4.070 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)c1ccccc1 ZINC000782772366 1046543007 /nfs/dbraw/zinc/54/30/07/1046543007.db2.gz APZWUCZDLZKZRA-LPHOPBHVSA-N 1 0 317.436 4.238 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)c3ccccc13)CC2 ZINC001139889497 1046547063 /nfs/dbraw/zinc/54/70/63/1046547063.db2.gz GGGBRRRCDVCZEO-UHFFFAOYSA-N 1 0 316.379 4.409 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccccc1 ZINC000782963127 1046549029 /nfs/dbraw/zinc/54/90/29/1046549029.db2.gz IGLQYYFWBUAQHX-GOSISDBHSA-N 1 0 311.812 4.129 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139937141 1046555905 /nfs/dbraw/zinc/55/59/05/1046555905.db2.gz JKBCBYQCGJUMFJ-UHFFFAOYSA-N 1 0 308.857 4.355 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000642095248 1046561959 /nfs/dbraw/zinc/56/19/59/1046561959.db2.gz MXKYZLSPOPYAEU-CQSZACIVSA-N 1 0 320.502 4.270 20 30 DIEDRO C=CCc1cc(C[NH2+]C/C=C/c2ccccc2)cc(OC)c1OC ZINC000729683516 1046575398 /nfs/dbraw/zinc/57/53/98/1046575398.db2.gz VUJQQFYYLJIXKD-XYOKQWHBSA-N 1 0 323.436 4.235 20 30 DIEDRO C=C(Br)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729682264 1046575469 /nfs/dbraw/zinc/57/54/69/1046575469.db2.gz ZJDTWNDRAAQSBI-UHFFFAOYSA-N 1 0 318.214 4.057 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000783299655 1046576112 /nfs/dbraw/zinc/57/61/12/1046576112.db2.gz SCKDPYPOZYCKJI-HOTGVXAUSA-N 1 0 310.482 4.110 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc2ccccc21 ZINC000783300154 1046577510 /nfs/dbraw/zinc/57/75/10/1046577510.db2.gz IZOMGTJRPCDQDG-HXUWFJFHSA-N 1 0 301.393 4.347 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000783325740 1046582665 /nfs/dbraw/zinc/58/26/65/1046582665.db2.gz AJCSMQFJRJQQOX-ULQDDVLXSA-N 1 0 322.493 4.157 20 30 DIEDRO N#Cc1ccc2[nH]cc(CN3CCc4cc(Cl)ccc4C3)c2c1 ZINC001140114903 1046590484 /nfs/dbraw/zinc/59/04/84/1046590484.db2.gz FRKJDFYMSLDSCL-UHFFFAOYSA-N 1 0 321.811 4.251 20 30 DIEDRO C=CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)c1ccccc1 ZINC000642293416 1046590665 /nfs/dbraw/zinc/59/06/65/1046590665.db2.gz BVNBQSUVVVLBJG-UHFFFAOYSA-N 1 0 322.452 4.361 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H]3c3ccccc3)c2c1 ZINC001140113649 1046591517 /nfs/dbraw/zinc/59/15/17/1046591517.db2.gz BGWNVTPOAJOVHD-HXUWFJFHSA-N 1 0 301.393 4.377 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H]3c3cccs3)c2c1 ZINC001140113866 1046591890 /nfs/dbraw/zinc/59/18/90/1046591890.db2.gz FQYLKHRWHGWORE-QGZVFWFLSA-N 1 0 307.422 4.438 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CC[C@H](F)C4)CC3)c2c1 ZINC001140116208 1046594389 /nfs/dbraw/zinc/59/43/89/1046594389.db2.gz VMNZBBAVJDDDSG-INIZCTEOSA-N 1 0 311.404 4.144 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCSc4ccccc4C3)c2c1 ZINC001140117611 1046594622 /nfs/dbraw/zinc/59/46/22/1046594622.db2.gz VWKOFRKQSXHOAJ-UHFFFAOYSA-N 1 0 319.433 4.147 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)c(C)o1 ZINC000237332830 1046596726 /nfs/dbraw/zinc/59/67/26/1046596726.db2.gz POCOVCKIDBCTJI-OAHLLOKOSA-N 1 0 312.413 4.430 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3cccs3)CC2)c(F)c1 ZINC001140137280 1046597197 /nfs/dbraw/zinc/59/71/97/1046597197.db2.gz AXGGDHSEYGLUOA-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO C=CC[N@@H+](C)Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001140215907 1046617634 /nfs/dbraw/zinc/61/76/34/1046617634.db2.gz OGYNZUUKXSOQRU-UHFFFAOYSA-N 1 0 312.360 4.447 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000783651150 1046618104 /nfs/dbraw/zinc/61/81/04/1046618104.db2.gz SRZRYIFZXPRFKG-MRXNPFEDSA-N 1 0 314.772 4.102 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783659456 1046618392 /nfs/dbraw/zinc/61/83/92/1046618392.db2.gz HEOXXPWUQHDHFL-UHFFFAOYSA-N 1 0 320.776 4.072 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1ccc(C)nc1C)C(C)C ZINC000678412576 1046630137 /nfs/dbraw/zinc/63/01/37/1046630137.db2.gz XPABCROMNPVWKD-YLJYHZDGSA-N 1 0 315.505 4.048 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000245713791 1046631007 /nfs/dbraw/zinc/63/10/07/1046631007.db2.gz GLOBNBQIMXCDDF-UZLBHIALSA-N 1 0 321.424 4.018 20 30 DIEDRO CCOc1ccc2[nH]cc(C[N@H+](C)Cc3cccc(C#N)c3)c2c1 ZINC001140274612 1046635196 /nfs/dbraw/zinc/63/51/96/1046635196.db2.gz PJBYCPNGSDSRIT-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](CC1CC1)C(C)C ZINC000533035682 1046642178 /nfs/dbraw/zinc/64/21/78/1046642178.db2.gz OFGGGYVDCFLNNB-UHFFFAOYSA-N 1 0 318.486 4.024 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](CC)c2ccncc2)c1 ZINC000834650641 1046645227 /nfs/dbraw/zinc/64/52/27/1046645227.db2.gz OQZCUKQTNJQSBB-IEBWSBKVSA-N 1 0 309.413 4.003 20 30 DIEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000533056000 1046647064 /nfs/dbraw/zinc/64/70/64/1046647064.db2.gz FFZRRDITIGYGLD-INIZCTEOSA-N 1 0 301.821 4.443 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(O)c(C(C)(C)C)c1 ZINC000784015906 1046650293 /nfs/dbraw/zinc/65/02/93/1046650293.db2.gz YQWITXIIPOZPHQ-LJQANCHMSA-N 1 0 300.446 4.124 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000834811799 1046673470 /nfs/dbraw/zinc/67/34/70/1046673470.db2.gz XBVCELLMUKSSBN-VIFPVBQESA-N 1 0 303.269 4.159 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1ccc(OCC#N)cc1 ZINC000834814863 1046673652 /nfs/dbraw/zinc/67/36/52/1046673652.db2.gz PVJKCSRYIOARGL-VLIAUNLRSA-N 1 0 324.399 4.456 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1nc(Br)cs1 ZINC000834811798 1046674567 /nfs/dbraw/zinc/67/45/67/1046674567.db2.gz XBVCELLMUKSSBN-SECBINFHSA-N 1 0 303.269 4.159 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1ccc(OCC#N)cc1 ZINC000834814865 1046676510 /nfs/dbraw/zinc/67/65/10/1046676510.db2.gz PVJKCSRYIOARGL-XOBRGWDASA-N 1 0 324.399 4.456 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000834819521 1046676719 /nfs/dbraw/zinc/67/67/19/1046676719.db2.gz XOCFIAAGDMALTC-GOEBONIOSA-N 1 0 324.449 4.129 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCNc1ccccc1 ZINC000795799656 1046679799 /nfs/dbraw/zinc/67/97/99/1046679799.db2.gz RWQUOEXOPJCFDT-HXUWFJFHSA-N 1 0 305.425 4.027 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000678737225 1046693005 /nfs/dbraw/zinc/69/30/05/1046693005.db2.gz MCSHLCNBLOXRAL-IAGOWNOFSA-N 1 0 320.436 4.391 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1 ZINC000834878510 1046695503 /nfs/dbraw/zinc/69/55/03/1046695503.db2.gz DULVENCSVPLREO-ZIAGYGMSSA-N 1 0 311.853 4.018 20 30 DIEDRO Cc1nc(C)c([C@H](C)N(C)CC#Cc2cccc(Cl)c2)s1 ZINC000533325555 1046695849 /nfs/dbraw/zinc/69/58/49/1046695849.db2.gz NUGGRYWXHSXRPT-ZDUSSCGKSA-N 1 0 318.873 4.458 20 30 DIEDRO C[C@@]1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1(Cl)Cl ZINC000834884111 1046697277 /nfs/dbraw/zinc/69/72/77/1046697277.db2.gz KJMBYJKMYWQMDS-CABCVRRESA-N 1 0 309.240 4.109 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(C)c2ncccc2c1)c1ccccc1 ZINC000784588430 1046698144 /nfs/dbraw/zinc/69/81/44/1046698144.db2.gz MUAZAYGVNZTWTB-HXUWFJFHSA-N 1 0 300.405 4.397 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834889606 1046699810 /nfs/dbraw/zinc/69/98/10/1046699810.db2.gz VTSKYSQBVRPJHP-AHRSYUTCSA-N 1 0 314.473 4.061 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834894153 1046704002 /nfs/dbraw/zinc/70/40/02/1046704002.db2.gz REROQQQEOVKKRB-AHRSYUTCSA-N 1 0 314.473 4.061 20 30 DIEDRO C[C@@]1(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1(Cl)Cl ZINC000834894452 1046704722 /nfs/dbraw/zinc/70/47/22/1046704722.db2.gz SJSTXPMEOJXAPP-HUUCEWRRSA-N 1 0 309.240 4.109 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)C1 ZINC001140419999 1046709032 /nfs/dbraw/zinc/70/90/32/1046709032.db2.gz PZZPOOMBCYJDBT-ZDUSSCGKSA-N 1 0 315.417 4.075 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H]2CCCSc3ccc(OC)cc32)c1 ZINC000834902957 1046713386 /nfs/dbraw/zinc/71/33/86/1046713386.db2.gz MDFNPWSWTXGIGO-IBGZPJMESA-N 1 0 323.461 4.393 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000834904376 1046713844 /nfs/dbraw/zinc/71/38/44/1046713844.db2.gz XOTWVIIYVHIRKN-NRFANRHFSA-N 1 0 300.405 4.097 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000250069061 1046718098 /nfs/dbraw/zinc/71/80/98/1046718098.db2.gz NUJNARGQIYXSJF-ZVZYQTTQSA-N 1 0 323.864 4.020 20 30 DIEDRO Cc1ccc(Cl)nc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001140446106 1046724798 /nfs/dbraw/zinc/72/47/98/1046724798.db2.gz DKPZPAZFDFMLPO-UHFFFAOYSA-N 1 0 324.855 4.307 20 30 DIEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000533461482 1046731751 /nfs/dbraw/zinc/73/17/51/1046731751.db2.gz VWQPLQIOVGVBMV-INIZCTEOSA-N 1 0 306.384 4.132 20 30 DIEDRO COc1cc(F)cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001140484837 1046742291 /nfs/dbraw/zinc/74/22/91/1046742291.db2.gz WQKQTDWOOLSERH-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccncc1 ZINC000835040634 1046747721 /nfs/dbraw/zinc/74/77/21/1046747721.db2.gz QXTBSYDHJMPNSP-BPJPHKDRSA-N 1 0 307.441 4.068 20 30 DIEDRO Cn1cnc2cc(C[N@H+](CCC#N)C3CCCCCCC3)ccc21 ZINC001140507776 1046758694 /nfs/dbraw/zinc/75/86/94/1046758694.db2.gz QLUYJMCAOYFYIR-UHFFFAOYSA-N 1 0 324.472 4.402 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(CCCc3ccccc3)CC2)cn1 ZINC001140540514 1046772333 /nfs/dbraw/zinc/77/23/33/1046772333.db2.gz ZFFPLGSFZKORCA-UHFFFAOYSA-N 1 0 319.452 4.188 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)cc1 ZINC000797066616 1046784737 /nfs/dbraw/zinc/78/47/37/1046784737.db2.gz SPGLYFRZRXJTDT-DETPVDSQSA-N 1 0 311.878 4.220 20 30 DIEDRO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001140601006 1046805321 /nfs/dbraw/zinc/80/53/21/1046805321.db2.gz FCPAYUNOMKGSLV-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2Cc3ccccc32)CC1 ZINC000611255164 1046844208 /nfs/dbraw/zinc/84/42/08/1046844208.db2.gz RGOAHKDDQCQUJA-HOHBBMLPSA-N 1 0 316.448 4.320 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(-c2ccncc2)cc1 ZINC000248754002 1046852637 /nfs/dbraw/zinc/85/26/37/1046852637.db2.gz CLUHTFQHBGZPMF-YRNRMSPPSA-N 1 0 305.425 4.482 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C)nc(Cl)c1 ZINC000797590127 1046860258 /nfs/dbraw/zinc/86/02/58/1046860258.db2.gz YZFGPHMWLXDYGS-UHFFFAOYSA-N 1 0 313.832 4.327 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)cc1 ZINC000237382479 1046880593 /nfs/dbraw/zinc/88/05/93/1046880593.db2.gz CJQQSJNHABDCOX-IERDGZPVSA-N 1 0 305.421 4.112 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000303171387 1046885256 /nfs/dbraw/zinc/88/52/56/1046885256.db2.gz JGQOPOQQEVGSNB-GOSISDBHSA-N 1 0 308.400 4.467 20 30 DIEDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756440 1046887977 /nfs/dbraw/zinc/88/79/77/1046887977.db2.gz MOAHDZISSVWUHG-UHFFFAOYSA-N 1 0 300.352 4.167 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755061 1046889559 /nfs/dbraw/zinc/88/95/59/1046889559.db2.gz RWAWABJNTJHECN-UHFFFAOYSA-N 1 0 320.770 4.164 20 30 DIEDRO Cc1ccc2cc(C[NH2+][C@@H](C)c3cccc(C#N)c3)ccc2n1 ZINC000614992508 1046898945 /nfs/dbraw/zinc/89/89/45/1046898945.db2.gz BZWMDXSPIHETFV-HNNXBMFYSA-N 1 0 301.393 4.266 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000614991427 1046899892 /nfs/dbraw/zinc/89/98/92/1046899892.db2.gz UWSLLOYHHDEZHR-LJQANCHMSA-N 1 0 305.425 4.124 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000237837414 1046900923 /nfs/dbraw/zinc/90/09/23/1046900923.db2.gz MHTZMNPQYVATMV-FQEVSTJZSA-N 1 0 318.420 4.336 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1Cl ZINC001140809923 1046910025 /nfs/dbraw/zinc/91/00/25/1046910025.db2.gz NFZZIAQLCHCTRW-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO CCNC(NCc1ccccc1-c1ccc(Cl)cc1)=[NH+]CC ZINC000303390458 1046914739 /nfs/dbraw/zinc/91/47/39/1046914739.db2.gz YOMHWMICTMSNGF-UHFFFAOYSA-N 1 0 315.848 4.082 20 30 DIEDRO C=CCCCC[NH+]1CCC2(CCC(=O)N(CC=C(C)C)C2)CC1 ZINC001276345841 1046915350 /nfs/dbraw/zinc/91/53/50/1046915350.db2.gz IMZUOZZBIRFCIX-UHFFFAOYSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@@]2(CCN(CC=C(C)C)C2=O)CC1 ZINC001276346317 1046915946 /nfs/dbraw/zinc/91/59/46/1046915946.db2.gz RIFMMNMTTNMUPL-FQEVSTJZSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)C1 ZINC001203074408 1046940723 /nfs/dbraw/zinc/94/07/23/1046940723.db2.gz HAJVONWNPFQGJZ-JKSUJKDBSA-N 1 0 322.493 4.158 20 30 DIEDRO C=CCC[C@H](C)n1cc(CC[NH3+])c2cccc(Br)c21 ZINC001258720948 1046944420 /nfs/dbraw/zinc/94/44/20/1046944420.db2.gz JVFBZRIHOUHCJD-LBPRGKRZSA-N 1 0 321.262 4.432 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(O)c(F)c1F ZINC001140893856 1046944316 /nfs/dbraw/zinc/94/43/16/1046944316.db2.gz IWFKLUKCMKKUDT-UHFFFAOYSA-N 1 0 303.352 4.249 20 30 DIEDRO C=CC[C@H](CC)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796369075 1046954189 /nfs/dbraw/zinc/95/41/89/1046954189.db2.gz ZSTYOKPRQWQULN-PCKAHOCUSA-N 1 0 310.482 4.014 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941334 1046955051 /nfs/dbraw/zinc/95/50/51/1046955051.db2.gz GNADIZVGUMGWSF-OAHLLOKOSA-N 1 0 313.832 4.256 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)CC(F)F)cc1Cl ZINC000647225953 1046955441 /nfs/dbraw/zinc/95/54/41/1046955441.db2.gz JSRHRNQDOADVTL-LLVKDONJSA-N 1 0 303.780 4.286 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)CC1(OC)CCCCCC1 ZINC001204373953 1046956249 /nfs/dbraw/zinc/95/62/49/1046956249.db2.gz DMAZZZBPSSURAH-UHFFFAOYSA-N 1 0 317.473 4.423 20 30 DIEDRO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001140963720 1046964159 /nfs/dbraw/zinc/96/41/59/1046964159.db2.gz FLBPFNGAYXETAS-ZDUSSCGKSA-N 1 0 312.335 4.019 20 30 DIEDRO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001140963634 1046965249 /nfs/dbraw/zinc/96/52/49/1046965249.db2.gz BBLWXHZDVOKLEO-ZDUSSCGKSA-N 1 0 312.335 4.019 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140990908 1046971749 /nfs/dbraw/zinc/97/17/49/1046971749.db2.gz CMTJFGUXBGGYMC-UHFFFAOYSA-N 1 0 303.352 4.249 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168274339 1046975011 /nfs/dbraw/zinc/97/50/11/1046975011.db2.gz CGTWTJLVLJZGIK-QWRGUYRKSA-N 1 0 304.381 4.306 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000303809322 1046979960 /nfs/dbraw/zinc/97/99/60/1046979960.db2.gz YOXMEDPHJQNQFN-DOTOQJQBSA-N 1 0 308.400 4.384 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc2cccc(O)c2n1 ZINC001141022598 1046981590 /nfs/dbraw/zinc/98/15/90/1046981590.db2.gz XRNBUUGUTZGWQB-UHFFFAOYSA-N 1 0 304.393 4.129 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000798925393 1046986977 /nfs/dbraw/zinc/98/69/77/1046986977.db2.gz AHTQONPOFPFTSF-RTBURBONSA-N 1 0 305.425 4.078 20 30 DIEDRO COc1ccccc1CO[NH+]=Cc1ccccc1N1CCCCC1 ZINC000799117496 1047000346 /nfs/dbraw/zinc/00/03/46/1047000346.db2.gz MLNQEHGRGFOJPJ-UHFFFAOYSA-N 1 0 324.424 4.236 20 30 DIEDRO CCN(CC)C(=[NH2+])NCc1ccccc1-c1ccc(Cl)cc1 ZINC000303978542 1047011461 /nfs/dbraw/zinc/01/14/61/1047011461.db2.gz MJKNGYAIMCBOFL-UHFFFAOYSA-N 1 0 315.848 4.164 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cccc3cccnc32)c1 ZINC000303977535 1047012468 /nfs/dbraw/zinc/01/24/68/1047012468.db2.gz LIKAHIJLCOWFEM-UHFFFAOYSA-N 1 0 318.424 4.285 20 30 DIEDRO C#CC[C@@H]([NH2+]C1CCC(c2nc(CC)no2)CC1)c1ccccc1 ZINC000272478981 1047014811 /nfs/dbraw/zinc/01/48/11/1047014811.db2.gz JBJMLKXRKGZMFO-DAWZGUTISA-N 1 0 323.440 4.012 20 30 DIEDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000237482233 1047015652 /nfs/dbraw/zinc/01/56/52/1047015652.db2.gz WQAHRQYKYCSXAJ-MSOLQXFVSA-N 1 0 322.452 4.315 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000273425295 1047016889 /nfs/dbraw/zinc/01/68/89/1047016889.db2.gz KDSYIDVWEJROJQ-FHWLQOOXSA-N 1 0 303.421 4.380 20 30 DIEDRO CCN(Cc1sc(N)c(C#N)c1Cl)Cc1ccc(F)cc1 ZINC001141114440 1047018381 /nfs/dbraw/zinc/01/83/81/1047018381.db2.gz OTTLYZFPEUMHGR-UHFFFAOYSA-N 1 0 323.824 4.017 20 30 DIEDRO CC(C)[N@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1 ZINC001141110100 1047019117 /nfs/dbraw/zinc/01/91/17/1047019117.db2.gz YKLNMOMUNVGSSA-UHFFFAOYSA-N 1 0 319.861 4.266 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141118429 1047019644 /nfs/dbraw/zinc/01/96/44/1047019644.db2.gz XZVLMFZMIFUDAQ-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141118430 1047019821 /nfs/dbraw/zinc/01/98/21/1047019821.db2.gz XZVLMFZMIFUDAQ-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cc1 ZINC001203098759 1047029755 /nfs/dbraw/zinc/02/97/55/1047029755.db2.gz CLWQKIKTMLEJQT-INIZCTEOSA-N 1 0 316.408 4.045 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1ccc(F)cc1C#N ZINC001141166361 1047034485 /nfs/dbraw/zinc/03/44/85/1047034485.db2.gz IINCOLLECBEQOY-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO [NH2+]=C(NCc1ccsc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304488762 1047037740 /nfs/dbraw/zinc/03/77/40/1047037740.db2.gz MPIGZGZXQFKWML-UHFFFAOYSA-N 1 0 323.421 4.467 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ncc(-c2ccccc2)o1 ZINC000799598616 1047046182 /nfs/dbraw/zinc/04/61/82/1047046182.db2.gz YSTCKYOHZGJSFN-FHERZECASA-N 1 0 309.413 4.322 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141208611 1047047057 /nfs/dbraw/zinc/04/70/57/1047047057.db2.gz IOBSDTGJDISUAO-QIDUDWOJSA-N 1 0 321.399 4.154 20 30 DIEDRO COc1cccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)c1F ZINC001141223838 1047051394 /nfs/dbraw/zinc/05/13/94/1047051394.db2.gz RWVGRAFCHZSKJF-UHFFFAOYSA-N 1 0 323.411 4.098 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCCc2cc3ccccc3o2)cc1C ZINC000304759868 1047051983 /nfs/dbraw/zinc/05/19/83/1047051983.db2.gz RQCARJXLBWFIKN-UHFFFAOYSA-N 1 0 307.397 4.019 20 30 DIEDRO C[C@@H](C#N)CN(Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000536663414 1047052977 /nfs/dbraw/zinc/05/29/77/1047052977.db2.gz JCVGKUKZADNRTE-JTQLQIEISA-N 1 0 316.754 4.483 20 30 DIEDRO CCc1ccc(NC(=[NH2+])NCc2cc(C(CC)CC)no2)cc1 ZINC000304799441 1047054424 /nfs/dbraw/zinc/05/44/24/1047054424.db2.gz OEBYNYMNIUQVOX-UHFFFAOYSA-N 1 0 314.433 4.067 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)c2ccc(F)cc2F)c1 ZINC000304764996 1047054461 /nfs/dbraw/zinc/05/44/61/1047054461.db2.gz YSAAZBGNEFAEAL-ZDUSSCGKSA-N 1 0 317.383 4.112 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCCc2c(OC)cccc21)c1ccncc1 ZINC000799719334 1047054748 /nfs/dbraw/zinc/05/47/48/1047054748.db2.gz ZSQQCJARUNTWMW-OALUTQOASA-N 1 0 308.425 4.375 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCCc2c(OC)cccc21)c1ccccc1 ZINC000799720137 1047054826 /nfs/dbraw/zinc/05/48/26/1047054826.db2.gz BNZQGKOFKNHVLC-VQTJNVASSA-N 1 0 305.421 4.427 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2)s1 ZINC000799718555 1047055169 /nfs/dbraw/zinc/05/51/69/1047055169.db2.gz FQWITZCSVFHOAV-BBRMVZONSA-N 1 0 307.422 4.069 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H]1CCCc2c(OC)cccc21)c1ccccc1 ZINC000799720136 1047055744 /nfs/dbraw/zinc/05/57/44/1047055744.db2.gz BNZQGKOFKNHVLC-UXHICEINSA-N 1 0 305.421 4.427 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)[C@@H]1c1cccc(F)c1 ZINC000536666294 1047056475 /nfs/dbraw/zinc/05/64/75/1047056475.db2.gz LPSFSKLJCYOQIS-PXAZEXFGSA-N 1 0 300.402 4.342 20 30 DIEDRO CN(c1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1)C1CCCCC1 ZINC000799716682 1047056399 /nfs/dbraw/zinc/05/63/99/1047056399.db2.gz VDOZYBSWONVPQJ-ROUUACIJSA-N 1 0 311.473 4.237 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000799725766 1047057617 /nfs/dbraw/zinc/05/76/17/1047057617.db2.gz IPHVUMYRUIFRMB-LBXVMSDZSA-N 1 0 312.457 4.074 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1C ZINC000799725117 1047058164 /nfs/dbraw/zinc/05/81/64/1047058164.db2.gz CYQSXFVVOZPBQN-GTPINHCMSA-N 1 0 300.446 4.293 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](c2cccnc2)C(C)C)c1 ZINC000304806070 1047058738 /nfs/dbraw/zinc/05/87/38/1047058738.db2.gz DINOSPQLNMHOOF-IBGZPJMESA-N 1 0 324.472 4.371 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cccc(-n2ccnc2)c1 ZINC001141243891 1047060395 /nfs/dbraw/zinc/06/03/95/1047060395.db2.gz BLSDQRMMNIRBPG-UHFFFAOYSA-N 1 0 303.409 4.061 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C#N)CC2)ccc1OCc1ccccc1 ZINC001141251703 1047064167 /nfs/dbraw/zinc/06/41/67/1047064167.db2.gz ZKDDFGFSZDLYRC-UHFFFAOYSA-N 1 0 320.436 4.310 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000536680460 1047070629 /nfs/dbraw/zinc/07/06/29/1047070629.db2.gz RMYLFGAUJCKZFC-LBPRGKRZSA-N 1 0 304.846 4.336 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H]4C[C@H]43)cc2)cc1 ZINC001141295408 1047078845 /nfs/dbraw/zinc/07/88/45/1047078845.db2.gz CEPRFKSEROXJKK-FXAWDEMLSA-N 1 0 304.393 4.335 20 30 DIEDRO COCCC1(CNC(=[NH2+])Nc2cccc(C(C)C)c2)CCCC1 ZINC000305058592 1047090665 /nfs/dbraw/zinc/09/06/65/1047090665.db2.gz FUVXYMHFWAJXSR-UHFFFAOYSA-N 1 0 317.477 4.134 20 30 DIEDRO C=CCCCC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000681134755 1047101852 /nfs/dbraw/zinc/10/18/52/1047101852.db2.gz LCWKHPWFZQTXSQ-UHFFFAOYSA-N 1 0 309.413 4.279 20 30 DIEDRO COc1cc(C)cc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)c1 ZINC000305181644 1047103157 /nfs/dbraw/zinc/10/31/57/1047103157.db2.gz CHMGIBRWXUJYIQ-UHFFFAOYSA-N 1 0 311.429 4.054 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(-c2nc(CC)no2)cc1 ZINC000536871737 1047117175 /nfs/dbraw/zinc/11/71/75/1047117175.db2.gz UVDLZARAOBVHRS-HUUCEWRRSA-N 1 0 313.445 4.032 20 30 DIEDRO C=CCCCC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000649254668 1047120087 /nfs/dbraw/zinc/12/00/87/1047120087.db2.gz HVQVMKOJISJQQT-PHIMTYICSA-N 1 0 303.290 4.405 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(F)c(F)c1 ZINC000681462402 1047123753 /nfs/dbraw/zinc/12/37/53/1047123753.db2.gz NMCIFOKTGJAZIO-LJQANCHMSA-N 1 0 316.395 4.438 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000536985307 1047126639 /nfs/dbraw/zinc/12/66/39/1047126639.db2.gz VHLPCIIZNRUAEK-JKIFEVAISA-N 1 0 317.864 4.053 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000536995391 1047127617 /nfs/dbraw/zinc/12/76/17/1047127617.db2.gz HVONNUBBZMEIRR-OAHLLOKOSA-N 1 0 318.436 4.221 20 30 DIEDRO C=CCN(Cc1cccs1)Cc1cc(OC(C)C)ccn1 ZINC000649475978 1047136560 /nfs/dbraw/zinc/13/65/60/1047136560.db2.gz RISKKOUESMPNDS-UHFFFAOYSA-N 1 0 302.443 4.119 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000537095291 1047136796 /nfs/dbraw/zinc/13/67/96/1047136796.db2.gz RZHVCIPTOIFNBV-BBRMVZONSA-N 1 0 301.455 4.053 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001116439332 1047139981 /nfs/dbraw/zinc/13/99/81/1047139981.db2.gz VCYXHQJAYDEIHK-MOPGFXCFSA-N 1 0 312.457 4.381 20 30 DIEDRO CC(C)[C@H](CCc1ccccc1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001116461619 1047145196 /nfs/dbraw/zinc/14/51/96/1047145196.db2.gz TZCDZKIQWWYUJB-NRFANRHFSA-N 1 0 322.452 4.336 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCOCc1ccccc1 ZINC001116469852 1047145461 /nfs/dbraw/zinc/14/54/61/1047145461.db2.gz ITTDZUQLQAMVRF-NRFANRHFSA-N 1 0 320.436 4.132 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3C)o2)C1 ZINC001116554685 1047156068 /nfs/dbraw/zinc/15/60/68/1047156068.db2.gz AZXWAJUIWZIHDL-MRXNPFEDSA-N 1 0 315.388 4.171 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001116569067 1047158727 /nfs/dbraw/zinc/15/87/27/1047158727.db2.gz ZYZGSLLWEXDXSR-WBVHZDCISA-N 1 0 321.420 4.051 20 30 DIEDRO CC[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Oc1cccc(F)c1 ZINC000537293441 1047161788 /nfs/dbraw/zinc/16/17/88/1047161788.db2.gz SPPXYGADXCVAAA-KDOFPFPSSA-N 1 0 312.388 4.206 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000098172531 1047161915 /nfs/dbraw/zinc/16/19/15/1047161915.db2.gz HPURYKFPNGTMOK-UHFFFAOYSA-N 1 0 322.452 4.010 20 30 DIEDRO CCOc1ccc2c(c1)C[N@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC001116734987 1047171379 /nfs/dbraw/zinc/17/13/79/1047171379.db2.gz HGGQHBYRMCCMBH-OAHLLOKOSA-N 1 0 306.409 4.076 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2ccccc2)CC1 ZINC001116735306 1047173134 /nfs/dbraw/zinc/17/31/34/1047173134.db2.gz STRJCZOKYPGUPY-MRXNPFEDSA-N 1 0 305.425 4.196 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000537364095 1047174592 /nfs/dbraw/zinc/17/45/92/1047174592.db2.gz QUWADGDYOJUGFU-CQSZACIVSA-N 1 0 306.837 4.123 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000537384453 1047176324 /nfs/dbraw/zinc/17/63/24/1047176324.db2.gz GHMCESKNEHGYTC-CQSZACIVSA-N 1 0 313.470 4.416 20 30 DIEDRO CC[C@H]([NH2+]CCCOCc1ccccc1)c1ccc(C#N)cc1 ZINC001116810555 1047179139 /nfs/dbraw/zinc/17/91/39/1047179139.db2.gz WFSSXPUBRKMJLU-FQEVSTJZSA-N 1 0 308.425 4.206 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000537400095 1047179475 /nfs/dbraw/zinc/17/94/75/1047179475.db2.gz JLFSIHOMTNKALJ-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@H]([NH2+]CCSc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537400884 1047179711 /nfs/dbraw/zinc/17/97/11/1047179711.db2.gz LPYFJZFUWKIETM-ZDUSSCGKSA-N 1 0 300.402 4.140 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cc4cccnc4o3)CC2)cc1 ZINC000897589464 1047211910 /nfs/dbraw/zinc/21/19/10/1047211910.db2.gz ZGEBBUOVXDIIFA-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000897589277 1047212874 /nfs/dbraw/zinc/21/28/74/1047212874.db2.gz VPNYITBDZONDGH-UHFFFAOYSA-N 1 0 323.465 4.272 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(OC)cc1OC ZINC001203112722 1047236469 /nfs/dbraw/zinc/23/64/69/1047236469.db2.gz CPJQCUXSLUNYDT-XJKSGUPXSA-N 1 0 307.409 4.067 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)n1 ZINC000897628899 1047251029 /nfs/dbraw/zinc/25/10/29/1047251029.db2.gz OQLJREUTMNBUNY-ZFWWWQNUSA-N 1 0 317.845 4.094 20 30 DIEDRO CCCCCCC[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000839656120 1047253121 /nfs/dbraw/zinc/25/31/21/1047253121.db2.gz VFNFDIRYPFRPMX-IBGZPJMESA-N 1 0 319.489 4.077 20 30 DIEDRO C[N@H+](CC#Cc1ccccc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000683007155 1047253607 /nfs/dbraw/zinc/25/36/07/1047253607.db2.gz YLSIKFKSQGRRFU-VXKWHMMOSA-N 1 0 319.448 4.138 20 30 DIEDRO C[N@H+](CC#Cc1ccccc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000683007156 1047256478 /nfs/dbraw/zinc/25/64/78/1047256478.db2.gz YLSIKFKSQGRRFU-YADHBBJMSA-N 1 0 319.448 4.138 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001118098854 1047264560 /nfs/dbraw/zinc/26/45/60/1047264560.db2.gz BKXSKIJIBQPFHO-KRWDZBQOSA-N 1 0 319.452 4.351 20 30 DIEDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000796435110 1047270333 /nfs/dbraw/zinc/27/03/33/1047270333.db2.gz PUDKGOPQLIVTLF-CZAAIQMYSA-N 1 0 320.436 4.065 20 30 DIEDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(CC#N)cc1 ZINC001118238267 1047276780 /nfs/dbraw/zinc/27/67/80/1047276780.db2.gz BBEILBKPTDSLBY-WMLDXEAASA-N 1 0 306.409 4.105 20 30 DIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000387266845 1047283063 /nfs/dbraw/zinc/28/30/63/1047283063.db2.gz VRYFXHOIVJGKLW-ATZDWAIDSA-N 1 0 300.446 4.139 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001203113786 1047286966 /nfs/dbraw/zinc/28/69/66/1047286966.db2.gz QLMXGXPERNFSNF-UYAOXDASSA-N 1 0 311.473 4.261 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC001203113760 1047287962 /nfs/dbraw/zinc/28/79/62/1047287962.db2.gz PYDORZFMSWXNHJ-SJORKVTESA-N 1 0 303.446 4.318 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000897746853 1047287947 /nfs/dbraw/zinc/28/79/47/1047287947.db2.gz ZPHMAEXJVUWFGB-ALOPSCKCSA-N 1 0 300.471 4.004 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001203114211 1047292899 /nfs/dbraw/zinc/29/28/99/1047292899.db2.gz ZPZARBZGKRPDQJ-GOEBONIOSA-N 1 0 321.848 4.336 20 30 DIEDRO CCC[C@](C)([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000897925032 1047300795 /nfs/dbraw/zinc/30/07/95/1047300795.db2.gz BJVLSLBOIUFCOT-SFHVURJKSA-N 1 0 313.832 4.412 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000393797578 1047309485 /nfs/dbraw/zinc/30/94/85/1047309485.db2.gz JHLPUMBJJDSAFC-PMPSAXMXSA-N 1 0 310.482 4.109 20 30 DIEDRO C(=NOCc1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000842016460 1047309645 /nfs/dbraw/zinc/30/96/45/1047309645.db2.gz VXYCSDOFVICVPH-UHFFFAOYSA-N 1 0 314.454 4.285 20 30 DIEDRO CCCCCCCC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000725744621 1047311239 /nfs/dbraw/zinc/31/12/39/1047311239.db2.gz PVXSNHZZEQLPES-KRWDZBQOSA-N 1 0 320.477 4.202 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC[C@H]3CCC(F)(F)C3)cc2)CC1 ZINC000898013945 1047312057 /nfs/dbraw/zinc/31/20/57/1047312057.db2.gz KTZKPBQMPFZKQY-CQSZACIVSA-N 1 0 304.384 4.157 20 30 DIEDRO CCCCCCCC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000725744622 1047312702 /nfs/dbraw/zinc/31/27/02/1047312702.db2.gz PVXSNHZZEQLPES-QGZVFWFLSA-N 1 0 320.477 4.202 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCC2CCC(F)(F)CC2)cc1 ZINC000898032037 1047313104 /nfs/dbraw/zinc/31/31/04/1047313104.db2.gz UBDCVFCVEBQMHI-AWEZNQCLSA-N 1 0 322.399 4.283 20 30 DIEDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(C#N)c(SC)n1 ZINC001141945646 1047314307 /nfs/dbraw/zinc/31/43/07/1047314307.db2.gz ICBYWMHKTVZLJZ-UHFFFAOYSA-N 1 0 311.454 4.006 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000651791203 1047329509 /nfs/dbraw/zinc/32/95/09/1047329509.db2.gz DLBVVZKIGKBYMR-YRGRVCCFSA-N 1 0 309.251 4.240 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccccc2SC(F)(F)F)CC1 ZINC000898279648 1047335722 /nfs/dbraw/zinc/33/57/22/1047335722.db2.gz ZPEMOBYPDNMXKS-UHFFFAOYSA-N 1 0 314.376 4.470 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000898325622 1047338156 /nfs/dbraw/zinc/33/81/56/1047338156.db2.gz QBEUOZKHTDYUGE-FQEVSTJZSA-N 1 0 321.424 4.005 20 30 DIEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000726232652 1047341894 /nfs/dbraw/zinc/34/18/94/1047341894.db2.gz VPVAWMJRCSAMIO-INIZCTEOSA-N 1 0 323.864 4.243 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652195980 1047346106 /nfs/dbraw/zinc/34/61/06/1047346106.db2.gz BREXQJVJBGSXND-ZCNNSNEGSA-N 1 0 314.473 4.274 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652196321 1047346914 /nfs/dbraw/zinc/34/69/14/1047346914.db2.gz PBBNKBPCJOWGTB-CABCVRRESA-N 1 0 307.434 4.108 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](CO)C2)cc1 ZINC000840895746 1047356427 /nfs/dbraw/zinc/35/64/27/1047356427.db2.gz VDFHARCHSVCQEA-ZOBUZTSGSA-N 1 0 323.864 4.020 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000796515964 1047366485 /nfs/dbraw/zinc/36/64/85/1047366485.db2.gz NMKWEEHHZBWGSF-UHFFFAOYSA-N 1 0 311.473 4.095 20 30 DIEDRO CC(C)[Si](C#C[NH2+]Cc1ccc(=O)[nH]c1)(C(C)C)C(C)C ZINC001168300450 1047372334 /nfs/dbraw/zinc/37/23/34/1047372334.db2.gz WLOVPBFVRWELEK-UHFFFAOYSA-N 1 0 304.510 4.056 20 30 DIEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCC(C)(C)C1 ZINC000796534128 1047379661 /nfs/dbraw/zinc/37/96/61/1047379661.db2.gz WOTQACLSUUUICP-OAHLLOKOSA-N 1 0 306.837 4.253 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2ccc(C#N)cc2F)C2CC2)ccc1F ZINC000533921189 1047389991 /nfs/dbraw/zinc/38/99/91/1047389991.db2.gz LHLDXLDNMCEOCF-LJQANCHMSA-N 1 0 312.363 4.386 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C/C=C/c1ccc(F)cc1F ZINC000618742168 1047406451 /nfs/dbraw/zinc/40/64/51/1047406451.db2.gz KKBKYUNIMWZQFM-VQSDEBNRSA-N 1 0 310.347 4.127 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000116927731 1047415527 /nfs/dbraw/zinc/41/55/27/1047415527.db2.gz LIOBCLKJQMQUOR-HNNXBMFYSA-N 1 0 324.424 4.002 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3cccc(F)c3)CC2)cc1C#N ZINC000749522697 1047424213 /nfs/dbraw/zinc/42/42/13/1047424213.db2.gz GBVDLWKXGXODPL-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO N#CCSCCC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119034559 1047438661 /nfs/dbraw/zinc/43/86/61/1047438661.db2.gz QAXKZCWOESHIAQ-ROUUACIJSA-N 1 0 302.487 4.024 20 30 DIEDRO C[C@H](CC[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000749919236 1047447200 /nfs/dbraw/zinc/44/72/00/1047447200.db2.gz PEIVEBDMMVSNRX-GOSISDBHSA-N 1 0 321.468 4.320 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1C[C@H]1c1cccs1 ZINC000841747818 1047449678 /nfs/dbraw/zinc/44/96/78/1047449678.db2.gz DUPDPEBNIOJVCL-TUKIKUTGSA-N 1 0 300.402 4.041 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000841763401 1047454658 /nfs/dbraw/zinc/45/46/58/1047454658.db2.gz XDOLNWKIKUCPRC-DLBZAZTESA-N 1 0 323.827 4.261 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(O)c1 ZINC000841761241 1047454792 /nfs/dbraw/zinc/45/47/92/1047454792.db2.gz HVOOAVALKBIHKY-LIRRHRJNSA-N 1 0 306.409 4.301 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c1 ZINC000537615721 1047455110 /nfs/dbraw/zinc/45/51/10/1047455110.db2.gz BZKSDZJAHAMYDD-GOSISDBHSA-N 1 0 323.436 4.250 20 30 DIEDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000841759942 1047455115 /nfs/dbraw/zinc/45/51/15/1047455115.db2.gz CGTZPNAWSGMPTP-BFUOFWGJSA-N 1 0 322.408 4.001 20 30 DIEDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000841763575 1047455663 /nfs/dbraw/zinc/45/56/63/1047455663.db2.gz ZYMNMASAVRYOPM-LIRRHRJNSA-N 1 0 306.409 4.301 20 30 DIEDRO Cn1cc2c(cccc2C[N@H+](CCC#N)C2CCCCCCC2)n1 ZINC001142456490 1047456873 /nfs/dbraw/zinc/45/68/73/1047456873.db2.gz MNKURBQNBXTBOP-UHFFFAOYSA-N 1 0 324.472 4.402 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000119626732 1047465976 /nfs/dbraw/zinc/46/59/76/1047465976.db2.gz UIYREDZTMAWTHJ-UHFFFAOYSA-N 1 0 303.427 4.001 20 30 DIEDRO C=CCCC[N@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC001168331636 1047469906 /nfs/dbraw/zinc/46/99/06/1047469906.db2.gz MOTIFZQTOVMZRG-QFIPXVFZSA-N 1 0 321.464 4.289 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000119882817 1047477238 /nfs/dbraw/zinc/47/72/38/1047477238.db2.gz WHHSTCQUUYJGJR-ZDUSSCGKSA-N 1 0 303.352 4.380 20 30 DIEDRO CC1(C)C[C@H](Nc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000612691795 1047478302 /nfs/dbraw/zinc/47/83/02/1047478302.db2.gz GFEQQIKQTKCXOB-FQEVSTJZSA-N 1 0 319.452 4.218 20 30 DIEDRO Cc1ccccc1C1([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000842732967 1047500890 /nfs/dbraw/zinc/50/08/90/1047500890.db2.gz RJVIPZRAFCSZFI-MRXNPFEDSA-N 1 0 306.409 4.065 20 30 DIEDRO Cc1cccc(C2([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CCC2)c1 ZINC000842747204 1047501812 /nfs/dbraw/zinc/50/18/12/1047501812.db2.gz UPKXRWJAUXPJDW-KRWDZBQOSA-N 1 0 320.436 4.455 20 30 DIEDRO COc1ccccc1C[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665526 1047507291 /nfs/dbraw/zinc/50/72/91/1047507291.db2.gz ACMRDPDMQQREIV-VQIMIIECSA-N 1 0 308.425 4.261 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000842901199 1047511985 /nfs/dbraw/zinc/51/19/85/1047511985.db2.gz JCEMWESYVRYZHB-RDJZCZTQSA-N 1 0 315.461 4.002 20 30 DIEDRO CCc1ccc(C[N@H+](C)Cc2c[nH]c3cc(C#N)ccc23)cc1 ZINC001142922783 1047514409 /nfs/dbraw/zinc/51/44/09/1047514409.db2.gz VYHOTRFMMMRNCX-UHFFFAOYSA-N 1 0 303.409 4.234 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922799 1047514623 /nfs/dbraw/zinc/51/46/23/1047514623.db2.gz WIYBESYVCTXUHJ-CQSZACIVSA-N 1 0 319.408 4.241 20 30 DIEDRO CCC[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1 ZINC001142928628 1047516884 /nfs/dbraw/zinc/51/68/84/1047516884.db2.gz FNUVQAAIQQRMHM-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO CC[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000091919247 1047524635 /nfs/dbraw/zinc/52/46/35/1047524635.db2.gz QTHLSSOQCHHQPG-KRWDZBQOSA-N 1 0 322.456 4.086 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000091955667 1047525391 /nfs/dbraw/zinc/52/53/91/1047525391.db2.gz VLMAMTVZGLNAFT-UHFFFAOYSA-N 1 0 310.445 4.072 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1F ZINC001143170439 1047537456 /nfs/dbraw/zinc/53/74/56/1047537456.db2.gz GGJKHNMQCJDWKU-INIZCTEOSA-N 1 0 312.363 4.216 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1F ZINC001143170443 1047537526 /nfs/dbraw/zinc/53/75/26/1047537526.db2.gz GGJKHNMQCJDWKU-MRXNPFEDSA-N 1 0 312.363 4.216 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2C2CCCCC2)c1F ZINC001143173608 1047537653 /nfs/dbraw/zinc/53/76/53/1047537653.db2.gz AAWURTQCTOAMLJ-KRWDZBQOSA-N 1 0 304.384 4.381 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788461 1047538875 /nfs/dbraw/zinc/53/88/75/1047538875.db2.gz AKDYZMIPXAXMHT-INIZCTEOSA-N 1 0 314.454 4.088 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788691 1047539041 /nfs/dbraw/zinc/53/90/41/1047539041.db2.gz JRKSNYKCZKWIOF-MRXNPFEDSA-N 1 0 314.454 4.088 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)cc1 ZINC000093845392 1047552922 /nfs/dbraw/zinc/55/29/22/1047552922.db2.gz UMFWOLPLTBNMQU-OXJNMPFZSA-N 1 0 323.440 4.043 20 30 DIEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000926899105 1047572626 /nfs/dbraw/zinc/57/26/26/1047572626.db2.gz USLVEXDBQIFTKG-LSDHHAIUSA-N 1 0 312.388 4.448 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)o1 ZINC000537705663 1047621393 /nfs/dbraw/zinc/62/13/93/1047621393.db2.gz NBRCSNVXHQDMEW-UHFFFAOYSA-N 1 0 312.388 4.278 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2c(Cl)cccc2C#N)C1 ZINC000538088307 1047657644 /nfs/dbraw/zinc/65/76/44/1047657644.db2.gz MTGZPPFQYVOCHC-IIAWOOMASA-N 1 0 317.864 4.053 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(OC(F)F)c1 ZINC000538120537 1047658755 /nfs/dbraw/zinc/65/87/55/1047658755.db2.gz FONNHGTUZJWYHW-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000538126607 1047660762 /nfs/dbraw/zinc/66/07/62/1047660762.db2.gz ZVIZIDHOYDOERY-INIZCTEOSA-N 1 0 324.424 4.075 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000538264227 1047664391 /nfs/dbraw/zinc/66/43/91/1047664391.db2.gz HGSFXPTVJHLBNZ-GOSISDBHSA-N 1 0 312.438 4.130 20 30 DIEDRO CCO[C@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000538394865 1047674189 /nfs/dbraw/zinc/67/41/89/1047674189.db2.gz AIKIQIYVPFSYMT-HNAYVOBHSA-N 1 0 300.446 4.194 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000538394252 1047674270 /nfs/dbraw/zinc/67/42/70/1047674270.db2.gz STDLNHSATKBDCM-INIZCTEOSA-N 1 0 316.404 4.441 20 30 DIEDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000538408279 1047676072 /nfs/dbraw/zinc/67/60/72/1047676072.db2.gz FIUGHOCGMDJGHQ-JKSUJKDBSA-N 1 0 308.425 4.096 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000538407665 1047676084 /nfs/dbraw/zinc/67/60/84/1047676084.db2.gz IZBGYLRUWNLSBI-KBPBESRZSA-N 1 0 316.424 4.110 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)c1ccc(C#N)cc1 ZINC000538407398 1047676110 /nfs/dbraw/zinc/67/61/10/1047676110.db2.gz YMIWGLDKLAAWOS-UONOGXRCSA-N 1 0 314.816 4.330 20 30 DIEDRO CCOc1ccc(Cl)cc1CC[NH2+]Cc1ccc(C#N)s1 ZINC000538428575 1047676962 /nfs/dbraw/zinc/67/69/62/1047676962.db2.gz YLSBNTOAORMFFL-UHFFFAOYSA-N 1 0 320.845 4.004 20 30 DIEDRO Cc1nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c(C#N)c(C)c1Cl ZINC001155341429 1047678108 /nfs/dbraw/zinc/67/81/08/1047678108.db2.gz YXUQNHJPXCPGMD-LLVKDONJSA-N 1 0 324.815 4.187 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C12CCCC2 ZINC000538507423 1047684249 /nfs/dbraw/zinc/68/42/49/1047684249.db2.gz DHGLSJUXXPIIDY-MORSLUCNSA-N 1 0 316.420 4.086 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCC1)c1ccc(C#N)c(F)c1 ZINC000538507383 1047684301 /nfs/dbraw/zinc/68/43/01/1047684301.db2.gz AVZKCZOBXCCEFU-OAHLLOKOSA-N 1 0 308.400 4.470 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC001156347525 1047707932 /nfs/dbraw/zinc/70/79/32/1047707932.db2.gz MBQQLHWCTPYNJI-SFHVURJKSA-N 1 0 310.526 4.460 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 ZINC000539086156 1047732890 /nfs/dbraw/zinc/73/28/90/1047732890.db2.gz GXPKABAGAYEDAJ-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000539219056 1047743052 /nfs/dbraw/zinc/74/30/52/1047743052.db2.gz BUOIFJCGFJQQNK-CYBMUJFWSA-N 1 0 319.326 4.129 20 30 DIEDRO CC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(F)cc1F ZINC000539290251 1047745085 /nfs/dbraw/zinc/74/50/85/1047745085.db2.gz WTUUECAOAPKQSQ-GOSISDBHSA-N 1 0 303.327 4.196 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000539297493 1047745501 /nfs/dbraw/zinc/74/55/01/1047745501.db2.gz FANLRDNYTCSRHI-UWVGGRQHSA-N 1 0 322.663 4.482 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000477853370 1047755407 /nfs/dbraw/zinc/75/54/07/1047755407.db2.gz FZRILEJORKAEIO-WMLDXEAASA-N 1 0 316.420 4.230 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971433 1047764845 /nfs/dbraw/zinc/76/48/45/1047764845.db2.gz YDJFJCAUYSKYKL-IEBWSBKVSA-N 1 0 316.489 4.156 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1cccc(C#N)c1 ZINC000927035900 1047767811 /nfs/dbraw/zinc/76/78/11/1047767811.db2.gz JJRXEHVLDMMDBO-DLBZAZTESA-N 1 0 300.471 4.417 20 30 DIEDRO Cc1sc(Nc2ccc(C3CC[NH2+]CC3)cc2)c(C#N)c1C ZINC001159152328 1047816433 /nfs/dbraw/zinc/81/64/33/1047816433.db2.gz NOTDMQFSOKYCQU-UHFFFAOYSA-N 1 0 311.454 4.447 20 30 DIEDRO N#Cc1c(Nc2cccc(C(F)(F)F)c2)sc2c1CC[NH2+]C2 ZINC001159153507 1047816648 /nfs/dbraw/zinc/81/66/48/1047816648.db2.gz BQTFJZOQYJDECZ-UHFFFAOYSA-N 1 0 323.343 4.028 20 30 DIEDRO N#Cc1c(Nc2ccccc2C(F)(F)F)sc2c1CC[NH2+]C2 ZINC001159154304 1047817338 /nfs/dbraw/zinc/81/73/38/1047817338.db2.gz RENFKQIPNQSIKR-UHFFFAOYSA-N 1 0 323.343 4.028 20 30 DIEDRO N#Cc1cc(-c2ccccc2)oc1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159219682 1047821548 /nfs/dbraw/zinc/82/15/48/1047821548.db2.gz JPZZVWDAKRLDAL-UHFFFAOYSA-N 1 0 301.349 4.165 20 30 DIEDRO N#Cc1oc2ccccc2c1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159234327 1047822513 /nfs/dbraw/zinc/82/25/13/1047822513.db2.gz LCVCJVZIGMDZOB-INIZCTEOSA-N 1 0 303.365 4.473 20 30 DIEDRO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2cc(F)cc(C#N)c2)C1 ZINC001159383872 1047838297 /nfs/dbraw/zinc/83/82/97/1047838297.db2.gz LJHKEOOQXYXFMG-NOLJZWGESA-N 1 0 324.403 4.067 20 30 DIEDRO N#Cc1cc(Nc2cccc(C(F)(F)F)c2)cc(C2C[NH2+]C2)c1 ZINC001159422763 1047841946 /nfs/dbraw/zinc/84/19/46/1047841946.db2.gz KIKMIINSOYPXDV-UHFFFAOYSA-N 1 0 317.314 4.007 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC001182844700 1047847163 /nfs/dbraw/zinc/84/71/63/1047847163.db2.gz OPZWGWLBABYDGD-JQHSSLGASA-N 1 0 317.473 4.359 20 30 DIEDRO Cc1ccc(CC[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1C ZINC001182817968 1047849592 /nfs/dbraw/zinc/84/95/92/1047849592.db2.gz YLDBCUCZRCUGDY-UHFFFAOYSA-N 1 0 304.437 4.060 20 30 DIEDRO N#C[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001197620737 1047850263 /nfs/dbraw/zinc/85/02/63/1047850263.db2.gz CXWKGYPINBFATD-IBGZPJMESA-N 1 0 306.409 4.001 20 30 DIEDRO N#Cc1cc(Cl)cc(Cl)c1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159515520 1047857417 /nfs/dbraw/zinc/85/74/17/1047857417.db2.gz GWNBHACXEWSKRD-UHFFFAOYSA-N 1 0 304.180 4.212 20 30 DIEDRO N#Cc1cc(Cl)cc(Cl)c1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159515921 1047858973 /nfs/dbraw/zinc/85/89/73/1047858973.db2.gz LUKKHEOWZLYLGG-UHFFFAOYSA-N 1 0 318.207 4.254 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001197683171 1047867786 /nfs/dbraw/zinc/86/77/86/1047867786.db2.gz UDPFOVULPZTCAS-INIZCTEOSA-N 1 0 318.420 4.437 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCCCC1 ZINC001182929821 1047870670 /nfs/dbraw/zinc/87/06/70/1047870670.db2.gz LDJLQMRJOQUHBJ-OAHLLOKOSA-N 1 0 302.849 4.261 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC001197701480 1047871089 /nfs/dbraw/zinc/87/10/89/1047871089.db2.gz JVICUFREXNYPJB-ZDUSSCGKSA-N 1 0 316.857 4.309 20 30 DIEDRO C[C@@]1(C#N)CCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001182998734 1047872799 /nfs/dbraw/zinc/87/27/99/1047872799.db2.gz BJPGQWYHXGZFKA-IBGZPJMESA-N 1 0 310.372 4.354 20 30 DIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccccc1SC(C)(C)C ZINC001183079994 1047881911 /nfs/dbraw/zinc/88/19/11/1047881911.db2.gz KXCHBGWJKVHFRA-UHFFFAOYSA-N 1 0 318.486 4.168 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000479423417 1047885049 /nfs/dbraw/zinc/88/50/49/1047885049.db2.gz PJKFYQCIHCAXRR-OLMNPRSZSA-N 1 0 309.400 4.375 20 30 DIEDRO COCC[N@H+](CCCC(C)(C)C#N)Cc1ccc(C)c(C)c1 ZINC001197844756 1047885560 /nfs/dbraw/zinc/88/55/60/1047885560.db2.gz MBFJBKIDIRHVOB-UHFFFAOYSA-N 1 0 302.462 4.082 20 30 DIEDRO C=CCC[N@@H+]1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC001197902152 1047898180 /nfs/dbraw/zinc/89/81/80/1047898180.db2.gz VSSXKXGMSIJQJY-UHFFFAOYSA-N 1 0 322.246 4.142 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cccc(C(F)F)c3)sc2C1 ZINC001174618621 1047908248 /nfs/dbraw/zinc/90/82/48/1047908248.db2.gz FLKDRVHLNDVWTG-UHFFFAOYSA-N 1 0 319.380 4.289 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000774616800 1047916253 /nfs/dbraw/zinc/91/62/53/1047916253.db2.gz WPRDIJXCQGAUDO-HZPDHXFCSA-N 1 0 324.509 4.356 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(Nc3cc(F)cc(C#N)c3)CC2)C1 ZINC001183323980 1047917982 /nfs/dbraw/zinc/91/79/82/1047917982.db2.gz IXZMHNKCPONGOY-AUUYWEPGSA-N 1 0 315.436 4.152 20 30 DIEDRO C=CCCCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000479511337 1047918062 /nfs/dbraw/zinc/91/80/62/1047918062.db2.gz JHXNEGLLLNFWTM-INIZCTEOSA-N 1 0 300.446 4.356 20 30 DIEDRO C[C@@H]([NH2+]CCCc1ccccc1F)c1ccc(C#N)cc1F ZINC000479521928 1047919393 /nfs/dbraw/zinc/91/93/93/1047919393.db2.gz LOGMBAKUGGRCOB-CYBMUJFWSA-N 1 0 300.352 4.120 20 30 DIEDRO C=CCCCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000479518986 1047919749 /nfs/dbraw/zinc/91/97/49/1047919749.db2.gz UDLKTNWHLVLMGW-QGZVFWFLSA-N 1 0 314.473 4.034 20 30 DIEDRO Cc1ccc2cccc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)c2c1 ZINC001159774954 1047920656 /nfs/dbraw/zinc/92/06/56/1047920656.db2.gz BNICUARDICNTDI-UHFFFAOYSA-N 1 0 313.404 4.450 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(-c3ccccc3Cl)on2)CCC1 ZINC001198034633 1047921982 /nfs/dbraw/zinc/92/19/82/1047921982.db2.gz YOQICNUREFOGCH-UHFFFAOYSA-N 1 0 300.789 4.031 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC001183336641 1047922182 /nfs/dbraw/zinc/92/21/82/1047922182.db2.gz SBRIDKFYTMYEPB-XLNGHYISSA-N 1 0 320.274 4.422 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001183336137 1047922410 /nfs/dbraw/zinc/92/24/10/1047922410.db2.gz MSOOJACGBKYNKW-LSDHHAIUSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC001183379002 1047926167 /nfs/dbraw/zinc/92/61/67/1047926167.db2.gz HQVRCRSJTBGZOZ-PMACEKPBSA-N 1 0 300.490 4.376 20 30 DIEDRO CCc1c(C)nc2sc(C#N)c(Nc3cc[nH+]c(C)c3)c2c1C ZINC001174654872 1047937448 /nfs/dbraw/zinc/93/74/48/1047937448.db2.gz QCTUGEWMHGBRTH-UHFFFAOYSA-N 1 0 322.437 4.216 20 30 DIEDRO Cc1cc(Nc2cccc(Oc3ccc(C#N)cc3)c2)cc[nH+]1 ZINC001174661444 1047939174 /nfs/dbraw/zinc/93/91/74/1047939174.db2.gz ZUXYDKFQLKCAPI-UHFFFAOYSA-N 1 0 301.349 4.220 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775833728 1047941756 /nfs/dbraw/zinc/94/17/56/1047941756.db2.gz KZFBEPXOYZDVFS-OAHLLOKOSA-N 1 0 312.844 4.108 20 30 DIEDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC001198281013 1047941838 /nfs/dbraw/zinc/94/18/38/1047941838.db2.gz ZXVGANRLPAUUGV-GOSISDBHSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(N(C)C)cc1 ZINC000775834754 1047942069 /nfs/dbraw/zinc/94/20/69/1047942069.db2.gz PSWYMUWAMHSUDN-INIZCTEOSA-N 1 0 321.468 4.405 20 30 DIEDRO CCCCCCCCCN1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001198390104 1047950009 /nfs/dbraw/zinc/95/00/09/1047950009.db2.gz YAFVKUVARDZALO-DLBZAZTESA-N 1 0 324.509 4.431 20 30 DIEDRO CC(C)([NH2+][C@@H]1CCc2c1cccc2C#N)c1ccnc(Cl)c1 ZINC001159919202 1047950212 /nfs/dbraw/zinc/95/02/12/1047950212.db2.gz UPNCLOXSCBBSSH-MRXNPFEDSA-N 1 0 311.816 4.119 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC001198406275 1047953741 /nfs/dbraw/zinc/95/37/41/1047953741.db2.gz HVNNZORZGUEBEI-CQSZACIVSA-N 1 0 306.837 4.099 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC001198457686 1047959120 /nfs/dbraw/zinc/95/91/20/1047959120.db2.gz HVUBTXKEPDMTSD-AWEZNQCLSA-N 1 0 308.853 4.264 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(Br)cc(OC)c1 ZINC001183738268 1047961216 /nfs/dbraw/zinc/96/12/16/1047961216.db2.gz GVLGWHJJHGSLLC-AWEZNQCLSA-N 1 0 312.251 4.292 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C)c2nccc3ccccc32)cc1C#N ZINC001183755118 1047965044 /nfs/dbraw/zinc/96/50/44/1047965044.db2.gz PBTBNLKKXCDTTJ-HNNXBMFYSA-N 1 0 301.393 4.266 20 30 DIEDRO Cc1cc2ccccc2cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159996057 1047965248 /nfs/dbraw/zinc/96/52/48/1047965248.db2.gz KCJAHEMAFYUEGH-UHFFFAOYSA-N 1 0 313.404 4.450 20 30 DIEDRO CSc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1C#N ZINC001183800246 1047968525 /nfs/dbraw/zinc/96/85/25/1047968525.db2.gz OSIRAOUNMHSOGA-ROUUACIJSA-N 1 0 308.450 4.173 20 30 DIEDRO C#C[C@H]1CCCC[N@H+]1CC/C=C\c1ccc(Br)cc1 ZINC001198525485 1047969401 /nfs/dbraw/zinc/96/94/01/1047969401.db2.gz MQEGKAVXARDOHP-KNYPUDEUSA-N 1 0 318.258 4.340 20 30 DIEDRO Cc1ccc(Nc2ccc(CC3CC[NH2+]CC3)cc2)cc1C#N ZINC001160019853 1047970158 /nfs/dbraw/zinc/97/01/58/1047970158.db2.gz NXVNYLCHRDSFNI-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)ccc1OC ZINC001174779244 1047973031 /nfs/dbraw/zinc/97/30/31/1047973031.db2.gz BTPVNFUEUIRENU-GASCZTMLSA-N 1 0 322.246 4.141 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1ccccc1C1=CC[NH2+]CC1 ZINC001160026507 1047973156 /nfs/dbraw/zinc/97/31/56/1047973156.db2.gz SWWQLQBASRTHPJ-UHFFFAOYSA-N 1 0 303.409 4.295 20 30 DIEDRO C=C(C)Nc1cc(C)nn1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001174790549 1047973159 /nfs/dbraw/zinc/97/31/59/1047973159.db2.gz XWTOJHQWGKIPQS-UHFFFAOYSA-N 1 0 324.472 4.049 20 30 DIEDRO N#Cc1c(Cl)cccc1Nc1ccccc1C1=CC[NH2+]CC1 ZINC001160025039 1047973353 /nfs/dbraw/zinc/97/33/53/1047973353.db2.gz DBUUKGHFDHZPRB-UHFFFAOYSA-N 1 0 309.800 4.332 20 30 DIEDRO C#CCCC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000775870717 1047975564 /nfs/dbraw/zinc/97/55/64/1047975564.db2.gz BCLYVDNSEYVLET-HNNXBMFYSA-N 1 0 310.210 4.042 20 30 DIEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000553992992 1047978385 /nfs/dbraw/zinc/97/83/85/1047978385.db2.gz WKVHBTPYHXGQKJ-IRXDYDNUSA-N 1 0 306.494 4.234 20 30 DIEDRO C=CCCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000774714126 1047996859 /nfs/dbraw/zinc/99/68/59/1047996859.db2.gz PWEFWEQMWQWBIW-GVDBMIGSSA-N 1 0 324.509 4.356 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001160235403 1048007118 /nfs/dbraw/zinc/00/71/18/1048007118.db2.gz VDTGEYLUSRNUHP-KRWDZBQOSA-N 1 0 321.424 4.050 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC=CC23CCCCC3)c(OC(F)F)c1 ZINC001198801848 1048010138 /nfs/dbraw/zinc/01/01/38/1048010138.db2.gz YJFBFIUSCBDUKZ-UHFFFAOYSA-N 1 0 318.367 4.234 20 30 DIEDRO N#Cc1ccc(Oc2cccc(NC=C3CC[NH2+]CC3)c2)cc1 ZINC001160251514 1048011011 /nfs/dbraw/zinc/01/10/11/1048011011.db2.gz XNRXYPHBAZQXRO-UHFFFAOYSA-N 1 0 305.381 4.030 20 30 DIEDRO N#Cc1cc(Cl)c(Cl)cc1Nc1cccc2c1CC[NH2+]C2 ZINC001160250810 1048011165 /nfs/dbraw/zinc/01/11/65/1048011165.db2.gz VLGFYVRKOHSXGS-UHFFFAOYSA-N 1 0 318.207 4.254 20 30 DIEDRO C#Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC001184228867 1048014400 /nfs/dbraw/zinc/01/44/00/1048014400.db2.gz MVPLZLRXDBATMT-IRLDBZIGSA-N 1 0 316.448 4.448 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001199052085 1048029930 /nfs/dbraw/zinc/02/99/30/1048029930.db2.gz CESMJODYGFPVDS-JENIJYKNSA-N 1 0 311.473 4.073 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC001199076904 1048033926 /nfs/dbraw/zinc/03/39/26/1048033926.db2.gz AQHJKIZQDKJPDN-WDEREUQCSA-N 1 0 300.265 4.345 20 30 DIEDRO N#Cc1cc(Nc2ccc(F)c(C3CC3)c2)cc(C2C[NH2+]C2)c1 ZINC001160341034 1048038322 /nfs/dbraw/zinc/03/83/22/1048038322.db2.gz KPSSIQKKUPBYEG-UHFFFAOYSA-N 1 0 307.372 4.005 20 30 DIEDRO C=C(CC)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000773431366 1048039985 /nfs/dbraw/zinc/03/99/85/1048039985.db2.gz VMXLOWUCBYLLID-KRWDZBQOSA-N 1 0 301.455 4.250 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC001184452333 1048041726 /nfs/dbraw/zinc/04/17/26/1048041726.db2.gz PYCMOIZRTPIWBR-RYUDHWBXSA-N 1 0 306.360 4.022 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)N1CCCn2c(cc3ccccc32)C1 ZINC000554305162 1048060265 /nfs/dbraw/zinc/06/02/65/1048060265.db2.gz IYMIZXYJDSHXSL-MRXNPFEDSA-N 1 0 315.420 4.480 20 30 DIEDRO N#Cc1cnc2cc[nH]c(NC(=[NH2+])c3cccc4ccccc43)c1-2 ZINC001160504046 1048062182 /nfs/dbraw/zinc/06/21/82/1048062182.db2.gz JEDSTCHXFMAAMR-UHFFFAOYSA-N 1 0 311.348 4.025 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC001199376386 1048062300 /nfs/dbraw/zinc/06/23/00/1048062300.db2.gz GNHKLCMVCBINGF-WMZOPIPTSA-N 1 0 316.514 4.074 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C(C)(C)c1ccccc1 ZINC000776023565 1048104920 /nfs/dbraw/zinc/10/49/20/1048104920.db2.gz KNBYPFMZQSXOLA-HXUWFJFHSA-N 1 0 322.452 4.435 20 30 DIEDRO N#Cc1c(Cl)c2ccccc2nc1Nc1cccc(CC[NH3+])c1 ZINC001161076433 1048106822 /nfs/dbraw/zinc/10/68/22/1048106822.db2.gz FATSFWBUVBAFJL-UHFFFAOYSA-N 1 0 322.799 4.005 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)C1CCC(C[NH3+])CC1 ZINC001161226671 1048114826 /nfs/dbraw/zinc/11/48/26/1048114826.db2.gz KVPNFAQJBSZONF-UHFFFAOYSA-N 1 0 310.526 4.351 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCc3ccccc3Cl)cc2)CC1 ZINC001199884798 1048114797 /nfs/dbraw/zinc/11/47/97/1048114797.db2.gz WXCKNYGDNWBXDS-UHFFFAOYSA-N 1 0 310.828 4.227 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)c1coc2c1CNC2 ZINC001161228613 1048115626 /nfs/dbraw/zinc/11/56/26/1048115626.db2.gz YVQDJBPNYWYJOV-UHFFFAOYSA-N 1 0 306.450 4.096 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H](C#N)c2ccccc2)nc1 ZINC001161718300 1048158857 /nfs/dbraw/zinc/15/88/57/1048158857.db2.gz UIKGCQHZFWNEHX-APWZRJJASA-N 1 0 320.440 4.133 20 30 DIEDRO C=CC[C@H](C)[NH2+]C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC001175202626 1048174514 /nfs/dbraw/zinc/17/45/14/1048174514.db2.gz GKVOWGLZDQPBCG-HNNXBMFYSA-N 1 0 311.425 4.347 20 30 DIEDRO C=CCCC[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001175165540 1048179911 /nfs/dbraw/zinc/17/99/11/1048179911.db2.gz UXPXBCKVFNHUIT-HNNXBMFYSA-N 1 0 301.261 4.152 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1cc(F)ccc1C#N)c1ccsc1 ZINC001162132503 1048229158 /nfs/dbraw/zinc/22/91/58/1048229158.db2.gz TZLZIEZKRFWFCP-QGZVFWFLSA-N 1 0 317.433 4.254 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2cnc(C)s2)cc1 ZINC001162163380 1048233393 /nfs/dbraw/zinc/23/33/93/1048233393.db2.gz SPNOJQTZDZAPOM-SFHVURJKSA-N 1 0 313.470 4.387 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776155394 1048238019 /nfs/dbraw/zinc/23/80/19/1048238019.db2.gz GJTLRRIRZWXFCX-ULQDDVLXSA-N 1 0 300.446 4.456 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc(OCC#N)cc1 ZINC000776155148 1048238764 /nfs/dbraw/zinc/23/87/64/1048238764.db2.gz ZPVSNAWSYMQKIF-SCLBCKFNSA-N 1 0 312.438 4.452 20 30 DIEDRO C=C(C)COCC[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001201373330 1048241792 /nfs/dbraw/zinc/24/17/92/1048241792.db2.gz VYTAKFUNPSLDRA-KRWDZBQOSA-N 1 0 303.490 4.345 20 30 DIEDRO C#CCCCC[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC001201406536 1048252254 /nfs/dbraw/zinc/25/22/54/1048252254.db2.gz BBUZYZXKGQVBDT-UHFFFAOYSA-N 1 0 308.263 4.120 20 30 DIEDRO CCC(CC)(CC)C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001201390012 1048258153 /nfs/dbraw/zinc/25/81/53/1048258153.db2.gz YXHNGLKZBGRZFF-UHFFFAOYSA-N 1 0 301.478 4.342 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1cc(C)cc(F)c1C#N)c1ccco1 ZINC001162308117 1048258756 /nfs/dbraw/zinc/25/87/56/1048258756.db2.gz OJJLVHBTZVWNGB-KRWDZBQOSA-N 1 0 315.392 4.094 20 30 DIEDRO CC(C)CC1(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CCC1 ZINC000776162955 1048259322 /nfs/dbraw/zinc/25/93/22/1048259322.db2.gz COWAXZINOKYEKF-MRXNPFEDSA-N 1 0 300.446 4.456 20 30 DIEDRO CC(C)CC1(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CCC1 ZINC000776162954 1048259727 /nfs/dbraw/zinc/25/97/27/1048259727.db2.gz COWAXZINOKYEKF-INIZCTEOSA-N 1 0 300.446 4.456 20 30 DIEDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C#N)cc3)C2)cc1 ZINC000776162735 1048259765 /nfs/dbraw/zinc/25/97/65/1048259765.db2.gz JXKIJQBZFAEEKY-YLJYHZDGSA-N 1 0 319.452 4.186 20 30 DIEDRO Cc1ccc([C@H](CNc2cc(F)ccc2C#N)[NH+]2CCCC2)cc1 ZINC001162320443 1048261188 /nfs/dbraw/zinc/26/11/88/1048261188.db2.gz HKELVQRCXMUTTI-FQEVSTJZSA-N 1 0 323.415 4.255 20 30 DIEDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1C ZINC001175325221 1048264475 /nfs/dbraw/zinc/26/44/75/1048264475.db2.gz ZKYNWHCVVDUMBG-UHFFFAOYSA-N 1 0 308.425 4.288 20 30 DIEDRO N#Cc1cccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c1F ZINC001175367065 1048279659 /nfs/dbraw/zinc/27/96/59/1048279659.db2.gz MOUKBVKMDRFPSO-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=CCC1([NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CCCCC1 ZINC001175372471 1048285090 /nfs/dbraw/zinc/28/50/90/1048285090.db2.gz VWMIKDLJMJVIAE-MRXNPFEDSA-N 1 0 322.493 4.255 20 30 DIEDRO C#CC1(Nc2ccc([C@H]3CCCC[N@H+]3CC)cn2)CCCCC1 ZINC001162479601 1048285688 /nfs/dbraw/zinc/28/56/88/1048285688.db2.gz JRMPMIHXQSFEEO-GOSISDBHSA-N 1 0 311.473 4.377 20 30 DIEDRO N#Cc1ccc(N=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001201474506 1048293232 /nfs/dbraw/zinc/29/32/32/1048293232.db2.gz IBVHERVBVDNZQX-SJORKVTESA-N 1 0 321.449 4.352 20 30 DIEDRO C#CCC[N@H+]1CCC[C@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001175484443 1048322101 /nfs/dbraw/zinc/32/21/01/1048322101.db2.gz ITTVCRGATSHIBQ-MRXNPFEDSA-N 1 0 313.338 4.265 20 30 DIEDRO CCCCCCCCCCCC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001201631088 1048327393 /nfs/dbraw/zinc/32/73/93/1048327393.db2.gz LTSDSUCPWOODOF-HXUWFJFHSA-N 1 0 324.553 4.314 20 30 DIEDRO CCCCCCCCCCC[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001201631276 1048328596 /nfs/dbraw/zinc/32/85/96/1048328596.db2.gz NVNMMFAMZFEEOD-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO CC(C)CC[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001201624281 1048336833 /nfs/dbraw/zinc/33/68/33/1048336833.db2.gz RVFJWTXHYMWDAH-UHFFFAOYSA-N 1 0 306.837 4.101 20 30 DIEDRO C(#CC1CC[NH+](CCCc2ccccc2)CC1)c1ccccc1 ZINC001201671626 1048339704 /nfs/dbraw/zinc/33/97/04/1048339704.db2.gz LAVKOQMQJAWQRT-UHFFFAOYSA-N 1 0 303.449 4.383 20 30 DIEDRO CCC[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001201648124 1048345170 /nfs/dbraw/zinc/34/51/70/1048345170.db2.gz RTSXIJXVJHHWMJ-HXUWFJFHSA-N 1 0 304.437 4.228 20 30 DIEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000481265381 1048346744 /nfs/dbraw/zinc/34/67/44/1048346744.db2.gz AWYJAEBMZVHMNL-FZMZJTMJSA-N 1 0 307.235 4.084 20 30 DIEDRO N#Cc1c(Cl)cccc1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175506815 1048347133 /nfs/dbraw/zinc/34/71/33/1048347133.db2.gz OAYPCGJHUHJOKG-UHFFFAOYSA-N 1 0 323.827 4.413 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000481282308 1048352672 /nfs/dbraw/zinc/35/26/72/1048352672.db2.gz IKXAQDPJVHPWKW-UHFFFAOYSA-N 1 0 301.821 4.113 20 30 DIEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC001201760454 1048368277 /nfs/dbraw/zinc/36/82/77/1048368277.db2.gz FVMCFXRTQBQZLK-KRWDZBQOSA-N 1 0 313.466 4.112 20 30 DIEDRO C[C@]1(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCCS1 ZINC000600121497 1048368560 /nfs/dbraw/zinc/36/85/60/1048368560.db2.gz VFHXGRXUCQYJLS-FGTMMUONSA-N 1 0 300.471 4.044 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001201762352 1048371409 /nfs/dbraw/zinc/37/14/09/1048371409.db2.gz HHPBEGBQHLUSLS-GOSISDBHSA-N 1 0 320.502 4.147 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001201797933 1048374326 /nfs/dbraw/zinc/37/43/26/1048374326.db2.gz HRIFEHXONXPHET-KRWDZBQOSA-N 1 0 315.461 4.079 20 30 DIEDRO CCCCCCC[NH+]1CCC(N2Cc3ccccc3C2=O)CC1 ZINC001201797653 1048374392 /nfs/dbraw/zinc/37/43/92/1048374392.db2.gz BIVIGYQXKPIJJY-UHFFFAOYSA-N 1 0 314.473 4.077 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001201804707 1048374881 /nfs/dbraw/zinc/37/48/81/1048374881.db2.gz RDCAROUZNZWCOL-KBPBESRZSA-N 1 0 313.379 4.074 20 30 DIEDRO CCCCCCC[N@@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001201798198 1048374904 /nfs/dbraw/zinc/37/49/04/1048374904.db2.gz QVEYRCZKICZXCR-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ccc(C)nc2)cc1 ZINC001162876041 1048375489 /nfs/dbraw/zinc/37/54/89/1048375489.db2.gz HPLUOYPPACKKMP-FQEVSTJZSA-N 1 0 307.441 4.325 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201776491 1048376668 /nfs/dbraw/zinc/37/66/68/1048376668.db2.gz DQGYZDKZFUNNRK-DLBZAZTESA-N 1 0 321.534 4.010 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+](CCCCCCCC)CCC2 ZINC001201814436 1048376822 /nfs/dbraw/zinc/37/68/22/1048376822.db2.gz PEASXGRTUNFZMH-UHFFFAOYSA-N 1 0 319.493 4.152 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@]2(C[C@H](CCOC)CO2)C1 ZINC001201813146 1048378331 /nfs/dbraw/zinc/37/83/31/1048378331.db2.gz BETKIHDJKBASRS-RBUKOAKNSA-N 1 0 311.510 4.255 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CC1)NC(=O)Nc1ccccc12 ZINC001201787785 1048379204 /nfs/dbraw/zinc/37/92/04/1048379204.db2.gz LXJBWKDHFCFCBY-UHFFFAOYSA-N 1 0 315.461 4.083 20 30 DIEDRO C=C(C)CC[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001175632213 1048382153 /nfs/dbraw/zinc/38/21/53/1048382153.db2.gz YZZMOMPLIKCYJO-LJQANCHMSA-N 1 0 324.509 4.216 20 30 DIEDRO CCCCCCCC[NH+]1CCC(NC(=O)C2CCCC2)CC1 ZINC001201825950 1048382763 /nfs/dbraw/zinc/38/27/63/1048382763.db2.gz IYPSWDLRPGJZSS-UHFFFAOYSA-N 1 0 308.510 4.118 20 30 DIEDRO C=CCOCc1cccc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1 ZINC001162913857 1048386807 /nfs/dbraw/zinc/38/68/07/1048386807.db2.gz LTWYGNAAXNQDDD-HNNXBMFYSA-N 1 0 306.409 4.353 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CCN(C(C)C)C2=O)CC1 ZINC001201839699 1048387047 /nfs/dbraw/zinc/38/70/47/1048387047.db2.gz HRRHDUXQCQSXKJ-UHFFFAOYSA-N 1 0 308.510 4.070 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC[C@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001187361510 1048392674 /nfs/dbraw/zinc/39/26/74/1048392674.db2.gz LYTPATVBAYMPCN-MRXNPFEDSA-N 1 0 315.436 4.215 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001201874797 1048393814 /nfs/dbraw/zinc/39/38/14/1048393814.db2.gz GQOREDVNLZGSCN-UHFFFAOYSA-N 1 0 308.510 4.262 20 30 DIEDRO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001201951353 1048408008 /nfs/dbraw/zinc/40/80/08/1048408008.db2.gz GJNKWRLZRFIMCK-OAQYLSRUSA-N 1 0 316.448 4.228 20 30 DIEDRO CCC(CC)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775130255 1048413468 /nfs/dbraw/zinc/41/34/68/1048413468.db2.gz NSAWSAYQWOVYHZ-RTWAWAEBSA-N 1 0 322.452 4.359 20 30 DIEDRO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000555709346 1048425587 /nfs/dbraw/zinc/42/55/87/1048425587.db2.gz XRMDYEJLIMITCU-KRWDZBQOSA-N 1 0 312.457 4.246 20 30 DIEDRO COc1cc(C[NH2+]C[C@H](Cc2ccccc2)C(C)C)ccc1C#N ZINC001202056899 1048432243 /nfs/dbraw/zinc/43/22/43/1048432243.db2.gz DHDKPUIUBKCXPC-FQEVSTJZSA-N 1 0 322.452 4.171 20 30 DIEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001202093169 1048448217 /nfs/dbraw/zinc/44/82/17/1048448217.db2.gz SCMRTFCCJWGMGT-SFHVURJKSA-N 1 0 301.817 4.298 20 30 DIEDRO C=C[C@H](COC)[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001202094057 1048449556 /nfs/dbraw/zinc/44/95/56/1048449556.db2.gz ZLTDJXUKGJLCDJ-JRMCHAMMSA-N 1 0 323.436 4.069 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481657584 1048451082 /nfs/dbraw/zinc/45/10/82/1048451082.db2.gz MXUKTKIOMKAYPR-GFCCVEGCSA-N 1 0 303.393 4.145 20 30 DIEDRO C=C(C)CC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001175789999 1048453893 /nfs/dbraw/zinc/45/38/93/1048453893.db2.gz GPJMEGUHKIBDSI-UHFFFAOYSA-N 1 0 310.482 4.112 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)s1 ZINC000481816365 1048490635 /nfs/dbraw/zinc/49/06/35/1048490635.db2.gz RCJUFNGGOLUPOR-STQMWFEESA-N 1 0 300.402 4.185 20 30 DIEDRO N#CCCc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC001163680522 1048503974 /nfs/dbraw/zinc/50/39/74/1048503974.db2.gz QIWVVTJSBFUTII-UHFFFAOYSA-N 1 0 317.314 4.199 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC001175935176 1048504151 /nfs/dbraw/zinc/50/41/51/1048504151.db2.gz IGDMQGIZCILQFD-MRXNPFEDSA-N 1 0 310.363 4.262 20 30 DIEDRO [NH2+]=C(Nc1cccc2c1CC=C2)c1ccc(C(F)(F)F)cc1 ZINC001163684455 1048504263 /nfs/dbraw/zinc/50/42/63/1048504263.db2.gz XZRYJXMSRLPKHF-UHFFFAOYSA-N 1 0 302.299 4.312 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)ccc1C#N ZINC001202298546 1048515872 /nfs/dbraw/zinc/51/58/72/1048515872.db2.gz CGERRBGJEIWVKZ-CRAIPNDOSA-N 1 0 300.446 4.261 20 30 DIEDRO Cc1c(C)n(-c2cccc3[nH]c(C#N)cc32)c2ccc(C[NH3+])cc12 ZINC001163761887 1048520964 /nfs/dbraw/zinc/52/09/64/1048520964.db2.gz XXAMWSGUAAEBQL-UHFFFAOYSA-N 1 0 314.392 4.059 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCCC3)cc1 ZINC001202365358 1048532959 /nfs/dbraw/zinc/53/29/59/1048532959.db2.gz CEEHJHSWEQUCFK-UHFFFAOYSA-N 1 0 307.437 4.420 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC001176035781 1048538977 /nfs/dbraw/zinc/53/89/77/1048538977.db2.gz CJAARSAHEJHCSG-UZLBHIALSA-N 1 0 306.409 4.020 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(-n3ccnc3)cs2)CCCCC1 ZINC001202407365 1048542091 /nfs/dbraw/zinc/54/20/91/1048542091.db2.gz IDPFOYSOTBPSEF-UHFFFAOYSA-N 1 0 301.459 4.302 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(O[C@@H](C)COC)cc2)CCCCC1 ZINC001202409399 1048542278 /nfs/dbraw/zinc/54/22/78/1048542278.db2.gz WSLRCSPTOLXSJX-KRWDZBQOSA-N 1 0 317.473 4.469 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(Br)cn2)CCCCC1 ZINC001202406677 1048542451 /nfs/dbraw/zinc/54/24/51/1048542451.db2.gz AEUFFDMVVRICNT-UHFFFAOYSA-N 1 0 309.251 4.213 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ccccc2N)cc1 ZINC001163890673 1048546158 /nfs/dbraw/zinc/54/61/58/1048546158.db2.gz HYXBRSJNKAADQA-HXUWFJFHSA-N 1 0 307.441 4.204 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](CCCC(F)(F)F)CC2)cc1 ZINC001202424333 1048547627 /nfs/dbraw/zinc/54/76/27/1048547627.db2.gz GOFWYNZSKWXSKT-UHFFFAOYSA-N 1 0 310.363 4.155 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)o1 ZINC001206262941 1048563857 /nfs/dbraw/zinc/56/38/57/1048563857.db2.gz FVKGXIUTVRYVJJ-CQSZACIVSA-N 1 0 320.230 4.319 20 30 DIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCCC(C)(C)C#N)cc1 ZINC000776386287 1048586602 /nfs/dbraw/zinc/58/66/02/1048586602.db2.gz KHVMRGXDDXAXQM-UHFFFAOYSA-N 1 0 316.445 4.015 20 30 DIEDRO C#CCOc1ccc(Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001176197570 1048593541 /nfs/dbraw/zinc/59/35/41/1048593541.db2.gz IRTUJAXXJJGSOX-UHFFFAOYSA-N 1 0 306.409 4.038 20 30 DIEDRO N#Cc1cc(F)cc(F)c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176197193 1048594262 /nfs/dbraw/zinc/59/42/62/1048594262.db2.gz DTTCHDFVDOHNJT-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)cc1 ZINC001202475554 1048600423 /nfs/dbraw/zinc/60/04/23/1048600423.db2.gz XYVFOPLETJCGQV-UHFFFAOYSA-N 1 0 306.796 4.159 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000159897222 1048606845 /nfs/dbraw/zinc/60/68/45/1048606845.db2.gz SKUAERJGGXVECJ-FQEVSTJZSA-N 1 0 322.452 4.186 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCCC1CCOCC1)c1ccc(F)c(F)c1 ZINC000482503844 1048620404 /nfs/dbraw/zinc/62/04/04/1048620404.db2.gz FETRFWQDJIPJFI-SFHVURJKSA-N 1 0 309.400 4.378 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC001176292612 1048622105 /nfs/dbraw/zinc/62/21/05/1048622105.db2.gz XRRJABLEEUSALK-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO CSCCCCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000850243238 1048626301 /nfs/dbraw/zinc/62/63/01/1048626301.db2.gz BFBMUMXDVODTCD-UHFFFAOYSA-N 1 0 302.487 4.255 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(Cl)c3ccccc23)CCOCC1 ZINC001176262693 1048626845 /nfs/dbraw/zinc/62/68/45/1048626845.db2.gz MOQNZNMLPCBVQX-UHFFFAOYSA-N 1 0 313.828 4.155 20 30 DIEDRO C[C@@]1(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@]1(F)Cl ZINC000850339872 1048633737 /nfs/dbraw/zinc/63/37/37/1048633737.db2.gz SRQLUEJDACQLAP-NVXWUHKLSA-N 1 0 306.812 4.036 20 30 DIEDRO CC(C)([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1cccc(C#N)c1 ZINC000850354818 1048635832 /nfs/dbraw/zinc/63/58/32/1048635832.db2.gz AUMPYMDTLFPHFB-UHFFFAOYSA-N 1 0 320.436 4.297 20 30 DIEDRO C[C@H](COCC1CCCCC1)[NH2+]CCCCC1(C#N)CCC1 ZINC001176345132 1048635913 /nfs/dbraw/zinc/63/59/13/1048635913.db2.gz KVKFOXPZLZFZHT-QGZVFWFLSA-N 1 0 306.494 4.426 20 30 DIEDRO C[C@@H](COCC1CCCCC1)[NH2+]Cc1ccc(Cl)cc1C#N ZINC001176344473 1048636491 /nfs/dbraw/zinc/63/64/91/1048636491.db2.gz DILGWBOVOSZJQH-AWEZNQCLSA-N 1 0 320.864 4.287 20 30 DIEDRO Cc1ccc2oc(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)cc2c1 ZINC000850377128 1048643995 /nfs/dbraw/zinc/64/39/95/1048643995.db2.gz YEPNALDJOJITDB-OAHLLOKOSA-N 1 0 320.392 4.322 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1OC(F)F ZINC000093492243 1048644213 /nfs/dbraw/zinc/64/42/13/1048644213.db2.gz RRQOKJKKNVDNRW-SNVBAGLBSA-N 1 0 308.353 4.072 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)cc1 ZINC000850391485 1048646502 /nfs/dbraw/zinc/64/65/02/1048646502.db2.gz RWDUAZAFJOUUND-BZOOQXSSSA-N 1 0 320.383 4.035 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3c(C)cccc32)cc1C#N ZINC000850411722 1048650419 /nfs/dbraw/zinc/65/04/19/1048650419.db2.gz JJMUZXORBIIFMS-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc(CC)cc2)CC1 ZINC000482642878 1048650570 /nfs/dbraw/zinc/65/05/70/1048650570.db2.gz DAJOYGRUCLSOQS-HXUWFJFHSA-N 1 0 300.490 4.330 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](CCC)c2ccc(Cl)cc2)CC1 ZINC000482639702 1048650923 /nfs/dbraw/zinc/65/09/23/1048650923.db2.gz HGDGSQZSKJMXRN-SFHVURJKSA-N 1 0 306.881 4.421 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccccc2SCC)CC1 ZINC000482640598 1048651902 /nfs/dbraw/zinc/65/19/02/1048651902.db2.gz GXJNIENIHBOZLS-HNNXBMFYSA-N 1 0 304.503 4.100 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(C(F)F)nc1)c1ccncc1 ZINC000850434962 1048656894 /nfs/dbraw/zinc/65/68/94/1048656894.db2.gz DZMBSAHRBAYDCO-IUODEOHRSA-N 1 0 303.356 4.382 20 30 DIEDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC001176365430 1048661833 /nfs/dbraw/zinc/66/18/33/1048661833.db2.gz PTNHBWAJSAPUIZ-KXBFYZLASA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCO2 ZINC000850451433 1048662235 /nfs/dbraw/zinc/66/22/35/1048662235.db2.gz ADHIZQIUNIISOW-OAHLLOKOSA-N 1 0 318.420 4.223 20 30 DIEDRO Cc1cc(C)cc(C[C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000237522887 1048663059 /nfs/dbraw/zinc/66/30/59/1048663059.db2.gz WQAHRQYKYCSXAJ-ZWKOTPCHSA-N 1 0 322.452 4.315 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc(F)c(F)c1 ZINC000775319444 1048664161 /nfs/dbraw/zinc/66/41/61/1048664161.db2.gz UHSKXNGEWIWQDA-LJQANCHMSA-N 1 0 315.363 4.402 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCCO2 ZINC000850466932 1048667838 /nfs/dbraw/zinc/66/78/38/1048667838.db2.gz YEPNDDHOAAGERM-VBKZILBWSA-N 1 0 318.420 4.221 20 30 DIEDRO C#CCC1([NH2+]Cc2cccc(F)c2OC(F)F)CCCCC1 ZINC001176433383 1048669795 /nfs/dbraw/zinc/66/97/95/1048669795.db2.gz VEYAJZFYNRSHHC-UHFFFAOYSA-N 1 0 311.347 4.243 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000850526505 1048678551 /nfs/dbraw/zinc/67/85/51/1048678551.db2.gz VQOQJIILQHPEMZ-ZBFHGGJFSA-N 1 0 321.848 4.180 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850524761 1048679078 /nfs/dbraw/zinc/67/90/78/1048679078.db2.gz DGEOOMAHIYUJSD-ACRUOGEOSA-N 1 0 318.420 4.094 20 30 DIEDRO Cc1ccccc1[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000482857342 1048691516 /nfs/dbraw/zinc/69/15/16/1048691516.db2.gz MDDGCNUZSZCSFB-QGZVFWFLSA-N 1 0 320.436 4.471 20 30 DIEDRO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)[nH]n1 ZINC001176484337 1048694902 /nfs/dbraw/zinc/69/49/02/1048694902.db2.gz FWNJGJGCZSGSFH-LJQANCHMSA-N 1 0 322.456 4.247 20 30 DIEDRO CC(C)(Nc1cc[nH+]cc1-c1ccccc1)c1ccc(C#N)cc1 ZINC001165761030 1048716714 /nfs/dbraw/zinc/71/67/14/1048716714.db2.gz QRAZAEOWDDVPKK-UHFFFAOYSA-N 1 0 313.404 4.389 20 30 DIEDRO C[N@@H+]1CC[C@H](c2ccc(NC(C)(C)c3ccc(C#N)cc3)cc2)C1 ZINC001165792425 1048718378 /nfs/dbraw/zinc/71/83/78/1048718378.db2.gz VGAZAPFWMMWQIE-SFHVURJKSA-N 1 0 319.452 4.325 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001190367185 1048729185 /nfs/dbraw/zinc/72/91/85/1048729185.db2.gz WIMBTWARVRJNNF-UHFFFAOYSA-N 1 0 322.427 4.461 20 30 DIEDRO CC[N@H+](CCN1CCc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC001190475679 1048739076 /nfs/dbraw/zinc/73/90/76/1048739076.db2.gz KXGDWGGCLISMKT-KRWDZBQOSA-N 1 0 319.452 4.004 20 30 DIEDRO C#CC[N@H+](CCC1(C#N)CCCCC1)[C@H]1CCc2ccccc21 ZINC001190527128 1048749179 /nfs/dbraw/zinc/74/91/79/1048749179.db2.gz DPQRBQDQECVPMB-FQEVSTJZSA-N 1 0 306.453 4.473 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1 ZINC000775393062 1048749925 /nfs/dbraw/zinc/74/99/25/1048749925.db2.gz KOOTXTULXRVLCH-WOJBJXKFSA-N 1 0 303.409 4.238 20 30 DIEDRO CCCCCCCCC[N@H+](C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC001190494521 1048750567 /nfs/dbraw/zinc/75/05/67/1048750567.db2.gz ODJIUSMZLSTDII-OKZBNKHCSA-N 1 0 308.510 4.116 20 30 DIEDRO CCC(CC)(C[NH2+][C@H]1CCCc2cc(C#N)ccc21)SC ZINC000775398417 1048763202 /nfs/dbraw/zinc/76/32/02/1048763202.db2.gz YLNNLNJZXPGERJ-KRWDZBQOSA-N 1 0 302.487 4.447 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000775399903 1048764791 /nfs/dbraw/zinc/76/47/91/1048764791.db2.gz WFSLTUKFNZYRAF-GOSISDBHSA-N 1 0 324.811 4.097 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(Cl)cc3)sc2C1 ZINC001176726519 1048772077 /nfs/dbraw/zinc/77/20/77/1048772077.db2.gz VMZGIKAOINNUQE-UHFFFAOYSA-N 1 0 303.818 4.005 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(NCC2CC[NH+](C(C)C)CC2)cc1 ZINC001166623581 1048773265 /nfs/dbraw/zinc/77/32/65/1048773265.db2.gz PXMWHRZYMXNSRY-FQEVSTJZSA-N 1 0 313.489 4.482 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC2(CO1)CCCCC2 ZINC001190708843 1048774350 /nfs/dbraw/zinc/77/43/50/1048774350.db2.gz WVCKECHTIMLNLK-LJQANCHMSA-N 1 0 315.432 4.000 20 30 DIEDRO C#CC[N@@H+](CCc1c(F)cccc1Cl)Cc1ccc(F)cc1 ZINC001190707859 1048774894 /nfs/dbraw/zinc/77/48/94/1048774894.db2.gz PDUIKGANOROHSE-UHFFFAOYSA-N 1 0 319.782 4.296 20 30 DIEDRO C#CC[N@@H+](Cc1oc(-c2ccccc2)nc1C)C1CCCCC1 ZINC001190706589 1048775773 /nfs/dbraw/zinc/77/57/73/1048775773.db2.gz AEXUAYAAEUPRCY-UHFFFAOYSA-N 1 0 308.425 4.418 20 30 DIEDRO C=CC[N@H+](CC/C=C/c1cncc(OC)c1)CCc1ccccc1 ZINC001190707444 1048776007 /nfs/dbraw/zinc/77/60/07/1048776007.db2.gz IBRBOBFHDXQQBQ-YRNVUSSQSA-N 1 0 322.452 4.224 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000775413797 1048788370 /nfs/dbraw/zinc/78/83/70/1048788370.db2.gz BUAWFZZAIKSGBQ-RTWAWAEBSA-N 1 0 300.405 4.290 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001176771793 1048788736 /nfs/dbraw/zinc/78/87/36/1048788736.db2.gz VRSZYTYHBXKVMU-DLBZAZTESA-N 1 0 318.848 4.264 20 30 DIEDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000483415066 1048790487 /nfs/dbraw/zinc/79/04/87/1048790487.db2.gz ZPHFNNMMPFVFGG-LJQANCHMSA-N 1 0 312.363 4.000 20 30 DIEDRO Cc1cc(C)[nH+]c(N2CCC(Cc3ccc(C#N)cc3)CC2)c1 ZINC001166766110 1048791585 /nfs/dbraw/zinc/79/15/85/1048791585.db2.gz OPFLVPADPXOPFP-UHFFFAOYSA-N 1 0 305.425 4.029 20 30 DIEDRO FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001176809194 1048792234 /nfs/dbraw/zinc/79/22/34/1048792234.db2.gz ZUVAPYPATXFQHA-ZNXRZULTSA-N 1 0 305.824 4.294 20 30 DIEDRO CC[N@H+](CC1(C#N)CC1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483423472 1048793236 /nfs/dbraw/zinc/79/32/36/1048793236.db2.gz SSJDOLFDUOKSEN-CYBMUJFWSA-N 1 0 310.363 4.262 20 30 DIEDRO C[C@H]1CCC[C@H](C)[NH+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190864221 1048796328 /nfs/dbraw/zinc/79/63/28/1048796328.db2.gz FJHFTFSRFZGTHV-KBPBESRZSA-N 1 0 311.347 4.200 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCO[C@@H](c3ccccc3)CC2)CCC1 ZINC001176939339 1048801639 /nfs/dbraw/zinc/80/16/39/1048801639.db2.gz HEBYXIWZWFDMEJ-LJQANCHMSA-N 1 0 312.457 4.314 20 30 DIEDRO CCCCCCC[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001190903506 1048806672 /nfs/dbraw/zinc/80/66/72/1048806672.db2.gz BUTFBSDWMHDAKS-UHFFFAOYSA-N 1 0 312.498 4.288 20 30 DIEDRO Cc1cccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C#N ZINC001166900091 1048810799 /nfs/dbraw/zinc/81/07/99/1048810799.db2.gz HCCJLBWOZLWKAU-FQEVSTJZSA-N 1 0 305.425 4.116 20 30 DIEDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000851919732 1048812563 /nfs/dbraw/zinc/81/25/63/1048812563.db2.gz ODUNXFBOPSJXTK-GQWLDOHISA-N 1 0 320.436 4.443 20 30 DIEDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000851919735 1048813268 /nfs/dbraw/zinc/81/32/68/1048813268.db2.gz ODUNXFBOPSJXTK-ONGXBYRLSA-N 1 0 320.436 4.443 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1F ZINC000483540569 1048816742 /nfs/dbraw/zinc/81/67/42/1048816742.db2.gz YOXBCYWJRNZABE-SFHVURJKSA-N 1 0 312.363 4.044 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1ccc(C#N)cc1 ZINC000924787686 1048819525 /nfs/dbraw/zinc/81/95/25/1048819525.db2.gz XTRXYAKIHREXDR-SJKOYZFVSA-N 1 0 311.816 4.335 20 30 DIEDRO Cc1ccc(CSCC[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC001177061735 1048820142 /nfs/dbraw/zinc/82/01/42/1048820142.db2.gz STHHHTQMDMMBAV-UHFFFAOYSA-N 1 0 310.466 4.198 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cccc(COC(C)=O)c1)c1ccncc1 ZINC000903097060 1048820109 /nfs/dbraw/zinc/82/01/09/1048820109.db2.gz BUQJMTMBUWGFTI-FOIQADDNSA-N 1 0 324.424 4.113 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001191038194 1048827458 /nfs/dbraw/zinc/82/74/58/1048827458.db2.gz GJAQRNYVPPXJQZ-HXUWFJFHSA-N 1 0 322.477 4.465 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000776574265 1048829545 /nfs/dbraw/zinc/82/95/45/1048829545.db2.gz GBQOOPAXGYJOBO-HNNXBMFYSA-N 1 0 306.837 4.123 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cccc(F)c2)o1 ZINC000852302953 1048832460 /nfs/dbraw/zinc/83/24/60/1048832460.db2.gz ITMBOGVMSUYWMC-XJKSGUPXSA-N 1 0 315.392 4.100 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(F)c2)o1 ZINC000852302951 1048832618 /nfs/dbraw/zinc/83/26/18/1048832618.db2.gz ITMBOGVMSUYWMC-CJNGLKHVSA-N 1 0 315.392 4.100 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1N1CCCCC1 ZINC000852319268 1048832997 /nfs/dbraw/zinc/83/29/97/1048832997.db2.gz IZONPLFHGIDLPA-GOSISDBHSA-N 1 0 311.473 4.111 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2nc(-c3cccs3)ccc2C#N)c1 ZINC001167033916 1048835714 /nfs/dbraw/zinc/83/57/14/1048835714.db2.gz VGEQBTBDHNRCPC-UHFFFAOYSA-N 1 0 320.421 4.145 20 30 DIEDRO CC(C)([NH2+]Cc1cc(Cl)nc(Cl)c1)c1cccc(C#N)c1 ZINC000852354283 1048836548 /nfs/dbraw/zinc/83/65/48/1048836548.db2.gz MUNSUVSSYSHQIV-UHFFFAOYSA-N 1 0 320.223 4.285 20 30 DIEDRO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000852329289 1048837104 /nfs/dbraw/zinc/83/71/04/1048837104.db2.gz XRHKRNWTMGXYJL-PZJWPPBQSA-N 1 0 317.436 4.016 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000776590696 1048837518 /nfs/dbraw/zinc/83/75/18/1048837518.db2.gz FGLVPWLMHVDWNR-RBUKOAKNSA-N 1 0 314.473 4.295 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)s1 ZINC000161063787 1048840401 /nfs/dbraw/zinc/84/04/01/1048840401.db2.gz LYQWVXHFZUJQKL-UHFFFAOYSA-N 1 0 323.421 4.141 20 30 DIEDRO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]CCCC#N)cc1 ZINC000483695839 1048840902 /nfs/dbraw/zinc/84/09/02/1048840902.db2.gz GMBCPNMAEXTCKV-MOPGFXCFSA-N 1 0 316.445 4.059 20 30 DIEDRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCCC#N)cc1 ZINC000483695842 1048842370 /nfs/dbraw/zinc/84/23/70/1048842370.db2.gz GMBCPNMAEXTCKV-RBUKOAKNSA-N 1 0 316.445 4.059 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001203294717 1048860792 /nfs/dbraw/zinc/86/07/92/1048860792.db2.gz ODJFQCPBICNXLK-JOCHJYFZSA-N 1 0 321.464 4.488 20 30 DIEDRO N#Cc1ccc(C=CNc2cc[nH+]cc2Oc2ccccc2)cc1 ZINC001203298252 1048861109 /nfs/dbraw/zinc/86/11/09/1048861109.db2.gz JYRSTFHHHRRPDH-JLHYYAGUSA-N 1 0 313.360 4.250 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2C[C@H](OC(C)(C)C)C2)c(O)c1 ZINC000852998866 1048866527 /nfs/dbraw/zinc/86/65/27/1048866527.db2.gz SNXPFOTUDDBBHJ-DYGDLRNOSA-N 1 0 318.461 4.003 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC001203327629 1048870257 /nfs/dbraw/zinc/87/02/57/1048870257.db2.gz MUVXOYYQORBNNO-UHFFFAOYSA-N 1 0 314.473 4.391 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001191157380 1048870394 /nfs/dbraw/zinc/87/03/94/1048870394.db2.gz XSIUAQXGTZTHPH-FCHUYYIVSA-N 1 0 316.448 4.447 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCCc2ccc(C)cc2C)cc1 ZINC001203369353 1048882492 /nfs/dbraw/zinc/88/24/92/1048882492.db2.gz OWHBPZICTGNPRC-UHFFFAOYSA-N 1 0 321.464 4.428 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)s1 ZINC000483960725 1048888089 /nfs/dbraw/zinc/88/80/89/1048888089.db2.gz TTYXSALOFDKIEG-MRXNPFEDSA-N 1 0 300.402 4.404 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)cc1F ZINC000483961441 1048888432 /nfs/dbraw/zinc/88/84/32/1048888432.db2.gz NNDMTSMFZYRFIS-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001191214096 1048890877 /nfs/dbraw/zinc/89/08/77/1048890877.db2.gz MLGNEQJJTIHNDF-XLIONFOSSA-N 1 0 314.473 4.123 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)Cc1ccsc1 ZINC000484010491 1048891231 /nfs/dbraw/zinc/89/12/31/1048891231.db2.gz BRKJLUZMWHHHMO-ZDUSSCGKSA-N 1 0 302.418 4.212 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001191192472 1048891706 /nfs/dbraw/zinc/89/17/06/1048891706.db2.gz FYNGWPGBBSIOHG-IBGZPJMESA-N 1 0 304.437 4.240 20 30 DIEDRO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCCC#N ZINC000484092818 1048898437 /nfs/dbraw/zinc/89/84/37/1048898437.db2.gz LOFDXDATXZKCRX-LAUBAEHRSA-N 1 0 304.437 4.369 20 30 DIEDRO COc1ccc(N=NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000853324389 1048898610 /nfs/dbraw/zinc/89/86/10/1048898610.db2.gz DQQIQLRBOMIRQR-UHFFFAOYSA-N 1 0 323.440 4.005 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CC#Cc2ccccc2)ccc1OC(C)C ZINC000484079528 1048899935 /nfs/dbraw/zinc/89/99/35/1048899935.db2.gz BCHVAMRYWNNWAT-KRWDZBQOSA-N 1 0 323.436 4.185 20 30 DIEDRO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCCC#N ZINC000484092819 1048899999 /nfs/dbraw/zinc/89/99/99/1048899999.db2.gz LOFDXDATXZKCRX-UTKZUKDTSA-N 1 0 304.437 4.369 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC001203447918 1048903074 /nfs/dbraw/zinc/90/30/74/1048903074.db2.gz SCQVVLTYHQAGJW-RTWAWAEBSA-N 1 0 304.437 4.055 20 30 DIEDRO C#CC1([NH2+]Cc2cc3cc(Br)ccc3o2)CCCC1 ZINC001203471920 1048909613 /nfs/dbraw/zinc/90/96/13/1048909613.db2.gz QFMNHYVTCSNFFP-UHFFFAOYSA-N 1 0 318.214 4.231 20 30 DIEDRO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)C1CCCCC1 ZINC001203502462 1048913588 /nfs/dbraw/zinc/91/35/88/1048913588.db2.gz XJMCOOPSEVERRN-UHFFFAOYSA-N 1 0 319.445 4.033 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001203503987 1048913741 /nfs/dbraw/zinc/91/37/41/1048913741.db2.gz MSDKZEPQBVVFCN-GJZGRUSLSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnn(C)c1Cl)c1ccccc1 ZINC001203496000 1048913890 /nfs/dbraw/zinc/91/38/90/1048913890.db2.gz BGAZJUROMZWZEZ-MRXNPFEDSA-N 1 0 303.837 4.261 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000484297551 1048921858 /nfs/dbraw/zinc/92/18/58/1048921858.db2.gz UVGPDGDHAPLAER-ZWKOTPCHSA-N 1 0 311.473 4.206 20 30 DIEDRO COc1ccc2c(Nc3cc(F)c(C)cc3C#N)cc[nH+]c2c1 ZINC001203529732 1048922093 /nfs/dbraw/zinc/92/20/93/1048922093.db2.gz IWHNCTKFUWRYSH-UHFFFAOYSA-N 1 0 307.328 4.306 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001191315937 1048925646 /nfs/dbraw/zinc/92/56/46/1048925646.db2.gz GIIDCZOBBWOVNN-QRWLVFNGSA-N 1 0 311.375 4.399 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC001191329728 1048927310 /nfs/dbraw/zinc/92/73/10/1048927310.db2.gz JSTNAHYFIPEJLD-DAWZGUTISA-N 1 0 314.498 4.431 20 30 DIEDRO CCc1ccc([C@H]2CN([C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000484355633 1048928614 /nfs/dbraw/zinc/92/86/14/1048928614.db2.gz LLIBEFMFHAGUJK-HRAATJIYSA-N 1 0 320.436 4.255 20 30 DIEDRO CCc1ccc([C@@H]2CN([C@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000484355634 1048928931 /nfs/dbraw/zinc/92/89/31/1048928931.db2.gz LLIBEFMFHAGUJK-IERDGZPVSA-N 1 0 320.436 4.255 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC001203559059 1048929296 /nfs/dbraw/zinc/92/92/96/1048929296.db2.gz AHTWWZQKIVMKSH-UAPYVXQJSA-N 1 0 319.452 4.131 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(OC(C)C)CCC2)cc1Cl ZINC001203565427 1048931732 /nfs/dbraw/zinc/93/17/32/1048931732.db2.gz AXDPMEGATDGRHV-UHFFFAOYSA-N 1 0 323.864 4.342 20 30 DIEDRO C#CC[N@@H+](CC)Cc1cc(Br)c2ccccc2c1 ZINC001191391042 1048933652 /nfs/dbraw/zinc/93/36/52/1048933652.db2.gz UTXHJHUZSXYARN-UHFFFAOYSA-N 1 0 302.215 4.057 20 30 DIEDRO C[C@H](Cc1ccsc1)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001191407554 1048936734 /nfs/dbraw/zinc/93/67/34/1048936734.db2.gz IQDULENDZGRCQK-GFCCVEGCSA-N 1 0 304.846 4.336 20 30 DIEDRO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001191407561 1048937198 /nfs/dbraw/zinc/93/71/98/1048937198.db2.gz IQDULENDZGRCQK-LBPRGKRZSA-N 1 0 304.846 4.336 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1C#N ZINC001203640030 1048944114 /nfs/dbraw/zinc/94/41/14/1048944114.db2.gz ZCOHLCVFUKBTBD-UHFFFAOYSA-N 1 0 320.314 4.055 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1cncc(C#N)c1 ZINC001191485470 1048952348 /nfs/dbraw/zinc/95/23/48/1048952348.db2.gz HOYXPDYRWBVEQO-KGLIPLIRSA-N 1 0 313.832 4.231 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2c(C)cc(C)cc2C)cc1C#N ZINC001203672394 1048957100 /nfs/dbraw/zinc/95/71/00/1048957100.db2.gz JXCGYEMQXHIIIW-UHFFFAOYSA-N 1 0 310.466 4.495 20 30 DIEDRO CCCCCCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC001191530096 1048958206 /nfs/dbraw/zinc/95/82/06/1048958206.db2.gz JINAKATYWGBAQY-WOJBJXKFSA-N 1 0 319.489 4.171 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(CC)(CC)NC(=O)OC(C)(C)C)C1 ZINC001177924262 1048961084 /nfs/dbraw/zinc/96/10/84/1048961084.db2.gz HTCGNWXAWBPSPG-HOTGVXAUSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)cc(OC)c1O ZINC001177951026 1048970026 /nfs/dbraw/zinc/97/00/26/1048970026.db2.gz YVUWNYJTWXQGSN-YOEHRIQHSA-N 1 0 317.473 4.434 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCCC2(C)C)cc(OC)c1O ZINC001178060721 1048980679 /nfs/dbraw/zinc/98/06/79/1048980679.db2.gz XSEKKPOUQSGUTN-QGZVFWFLSA-N 1 0 303.446 4.188 20 30 DIEDRO C=CC[N@H+](CCC(=O)Nc1ccccc1)CC1CCCCC1 ZINC000484596760 1048985070 /nfs/dbraw/zinc/98/50/70/1048985070.db2.gz HNDPLMDSGCLANI-UHFFFAOYSA-N 1 0 300.446 4.084 20 30 DIEDRO CSc1ccc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)s1 ZINC001203750578 1048988284 /nfs/dbraw/zinc/98/82/84/1048988284.db2.gz METHJHIBMHAYJL-UHFFFAOYSA-N 1 0 316.495 4.453 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccc2scnc2c1 ZINC001203750605 1048989620 /nfs/dbraw/zinc/98/96/20/1048989620.db2.gz MNBXVTIPZJZDNQ-UHFFFAOYSA-N 1 0 321.449 4.279 20 30 DIEDRO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001203762110 1048990659 /nfs/dbraw/zinc/99/06/59/1048990659.db2.gz KYMJGWVTBKCUMM-UHFFFAOYSA-N 1 0 316.448 4.347 20 30 DIEDRO N#Cc1cccc(C[N@H+](Cc2ccccn2)C2CCCCC2)c1 ZINC001203764396 1048993046 /nfs/dbraw/zinc/99/30/46/1048993046.db2.gz OCUZAHDENDHOJY-UHFFFAOYSA-N 1 0 305.425 4.288 20 30 DIEDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000484625776 1048998316 /nfs/dbraw/zinc/99/83/16/1048998316.db2.gz ZCLJCVVZZDWYPZ-OAHLLOKOSA-N 1 0 320.392 4.376 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000776793238 1049011260 /nfs/dbraw/zinc/01/12/60/1049011260.db2.gz ZAHKQWFHJKMCKF-LLGFUMIMSA-N 1 0 320.436 4.217 20 30 DIEDRO N#Cc1c(F)ccc(F)c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203826701 1049012040 /nfs/dbraw/zinc/01/20/40/1049012040.db2.gz GNXPUOSSTMUSHH-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO N#Cc1ccc(F)c(F)c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203826904 1049012883 /nfs/dbraw/zinc/01/28/83/1049012883.db2.gz PXZQJDNNWHMIEK-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000776794644 1049013506 /nfs/dbraw/zinc/01/35/06/1049013506.db2.gz FVFONAXUOJQKSJ-IBGZPJMESA-N 1 0 312.363 4.482 20 30 DIEDRO N#CCc1cc(Nc2ccc(C[NH+]3CCCC3)cc2)ccc1F ZINC001203842765 1049014330 /nfs/dbraw/zinc/01/43/30/1049014330.db2.gz DOUYMAZAACPZBM-UHFFFAOYSA-N 1 0 309.388 4.231 20 30 DIEDRO COc1ccc(CN(CCC#N)C2CCCCCCC2)cc1O ZINC001203869128 1049019091 /nfs/dbraw/zinc/01/90/91/1049019091.db2.gz QATQFGOAZMHFRH-UHFFFAOYSA-N 1 0 316.445 4.229 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)cc1 ZINC001203905162 1049029196 /nfs/dbraw/zinc/02/91/96/1049029196.db2.gz USCAKPCAIKQJJC-UHFFFAOYSA-N 1 0 316.326 4.135 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H](C)c2ccccc2)cc(OC)c1O ZINC001178445322 1049032763 /nfs/dbraw/zinc/03/27/63/1049032763.db2.gz UFXSAQVVYRIXED-OAHLLOKOSA-N 1 0 311.425 4.023 20 30 DIEDRO CN(C)c1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001203937504 1049035073 /nfs/dbraw/zinc/03/50/73/1049035073.db2.gz TUXMYAPDQACLOI-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO SC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001203962149 1049047275 /nfs/dbraw/zinc/04/72/75/1049047275.db2.gz HAXVGUITGCYNAA-UHFFFAOYSA-N 1 0 313.466 4.160 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001178584645 1049058184 /nfs/dbraw/zinc/05/81/84/1049058184.db2.gz NBBUFFVBOMUABV-TZIWHRDSSA-N 1 0 307.437 4.424 20 30 DIEDRO CCCCCCCC[C@@H](CO)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC001204011446 1049060159 /nfs/dbraw/zinc/06/01/59/1049060159.db2.gz AHHAADNOAQQJDZ-MOPGFXCFSA-N 1 0 318.505 4.030 20 30 DIEDRO C=CCCC[C@@H](C)[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000484912115 1049077960 /nfs/dbraw/zinc/07/79/60/1049077960.db2.gz RWSLBODTRLEYLO-HIFRSBDPSA-N 1 0 322.474 4.202 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(OC)c(OC)c2F)CCCC1 ZINC001178709701 1049078756 /nfs/dbraw/zinc/07/87/56/1049078756.db2.gz JWHNYSZERWJGAL-UHFFFAOYSA-N 1 0 307.409 4.069 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(OC)c(OC)c2C)CCCC1 ZINC001178710112 1049078882 /nfs/dbraw/zinc/07/88/82/1049078882.db2.gz TUOUYMBOXLRRHE-UHFFFAOYSA-N 1 0 303.446 4.238 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)CCCC1 ZINC001178709684 1049079705 /nfs/dbraw/zinc/07/97/05/1049079705.db2.gz JIUDXJNNSQJROJ-UHFFFAOYSA-N 1 0 313.445 4.215 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]1C1CCCC1 ZINC001204088824 1049081164 /nfs/dbraw/zinc/08/11/64/1049081164.db2.gz HNGXKRYQMLNXRZ-HOTGVXAUSA-N 1 0 317.860 4.268 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC001178742088 1049081675 /nfs/dbraw/zinc/08/16/75/1049081675.db2.gz NBGXVCFYPNNFSA-KGLIPLIRSA-N 1 0 307.846 4.296 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2sc(C)cc2Br)cc1 ZINC001178758877 1049083351 /nfs/dbraw/zinc/08/33/51/1049083351.db2.gz LZCNXPMDTOIZFY-UHFFFAOYSA-N 1 0 320.255 4.090 20 30 DIEDRO CCC1([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC001178769882 1049086305 /nfs/dbraw/zinc/08/63/05/1049086305.db2.gz SMCIELSXBSPZMO-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO COc1ccc(C#N)c(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001204118431 1049087679 /nfs/dbraw/zinc/08/76/79/1049087679.db2.gz KHLMOSMSDAJWKK-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO CNc1ccc(C#N)cc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204119218 1049089132 /nfs/dbraw/zinc/08/91/32/1049089132.db2.gz ZREQTRKZECIZSQ-UHFFFAOYSA-N 1 0 320.440 4.329 20 30 DIEDRO CSc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001204139399 1049095298 /nfs/dbraw/zinc/09/52/98/1049095298.db2.gz FLOYMVGWZVMKMF-UHFFFAOYSA-N 1 0 322.477 4.466 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1ccc(OCC#N)cc1 ZINC000776895787 1049101497 /nfs/dbraw/zinc/10/14/97/1049101497.db2.gz DVXLSQMFVTUSRG-OAHLLOKOSA-N 1 0 324.399 4.458 20 30 DIEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)Cc2ccc(OCC)cc2)cc1 ZINC001178873191 1049103242 /nfs/dbraw/zinc/10/32/42/1049103242.db2.gz QNQBTPZAUNRSSM-KRWDZBQOSA-N 1 0 307.437 4.035 20 30 DIEDRO C=CC1CC[NH+](CC(CC)(CC)CNC(=O)OC(C)(C)C)CC1 ZINC001204180485 1049104149 /nfs/dbraw/zinc/10/41/49/1049104149.db2.gz NTRUWTKVOKIKLG-UHFFFAOYSA-N 1 0 324.509 4.216 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001204173561 1049104303 /nfs/dbraw/zinc/10/43/03/1049104303.db2.gz CMDJYTQXXQIZKW-UHFFFAOYSA-N 1 0 304.437 4.306 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc1 ZINC001204173751 1049104536 /nfs/dbraw/zinc/10/45/36/1049104536.db2.gz FUQQGWOLQISKJZ-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC3(CCc4ccccc43)CC2)c1 ZINC001203757912 1049108959 /nfs/dbraw/zinc/10/89/59/1049108959.db2.gz VZMYDYCNUNIRKA-UHFFFAOYSA-N 1 0 302.421 4.038 20 30 DIEDRO CCc1ccccc1CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001192490841 1049111103 /nfs/dbraw/zinc/11/11/03/1049111103.db2.gz UDOFVZDKKSFWPS-UHFFFAOYSA-N 1 0 304.437 4.328 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC#Cc2ccc(F)cc2)c1 ZINC001192500154 1049111168 /nfs/dbraw/zinc/11/11/68/1049111168.db2.gz HKBGDXULYPOCNN-HRAATJIYSA-N 1 0 323.411 4.269 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(OCc2cccc(OC)c2)cc1 ZINC001178950915 1049113236 /nfs/dbraw/zinc/11/32/36/1049113236.db2.gz VKHJXSDIEOHMBN-UHFFFAOYSA-N 1 0 311.425 4.330 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC001204223199 1049114801 /nfs/dbraw/zinc/11/48/01/1049114801.db2.gz WBGRXHMBVTXCBQ-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO CC[C@H]([NH2+]CCOc1ccccc1C#N)C(C)(C)c1ccccc1 ZINC001192605042 1049121387 /nfs/dbraw/zinc/12/13/87/1049121387.db2.gz QNFJXWYSTOWYSH-FQEVSTJZSA-N 1 0 322.452 4.283 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)cc1F ZINC001192615054 1049123752 /nfs/dbraw/zinc/12/37/52/1049123752.db2.gz FMYSTMQMYRDXRF-GOSISDBHSA-N 1 0 316.326 4.216 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C2CC2)cc1C#N ZINC001192617608 1049124927 /nfs/dbraw/zinc/12/49/27/1049124927.db2.gz WWQUMBKJIDWZCS-IBGZPJMESA-N 1 0 312.363 4.386 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O[C@@H](C)COC)cc1 ZINC001179142637 1049130144 /nfs/dbraw/zinc/13/01/44/1049130144.db2.gz KGRLBROLOCFFKT-ILZDJORESA-N 1 0 317.473 4.325 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)CCC(=O)c2cccs2)cc1 ZINC001204303472 1049134011 /nfs/dbraw/zinc/13/40/11/1049134011.db2.gz JMZBFRBEAMJVKS-UHFFFAOYSA-N 1 0 315.438 4.018 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)cc1 ZINC001204303914 1049134685 /nfs/dbraw/zinc/13/46/85/1049134685.db2.gz SOXUCMOTDFCGSR-FQEVSTJZSA-N 1 0 308.425 4.292 20 30 DIEDRO CC(C)([NH2+]Cc1cc2cc(F)ccc2o1)c1cccc(C#N)c1 ZINC001179138985 1049134722 /nfs/dbraw/zinc/13/47/22/1049134722.db2.gz DRLOLJXYBLMOFS-UHFFFAOYSA-N 1 0 308.356 4.468 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)cc1 ZINC001204303614 1049134931 /nfs/dbraw/zinc/13/49/31/1049134931.db2.gz MBOWJPKJPJZLCU-UHFFFAOYSA-N 1 0 303.421 4.356 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc1Cl ZINC001179168705 1049137773 /nfs/dbraw/zinc/13/77/73/1049137773.db2.gz HHLSNXYNHLVDIU-PMPSAXMXSA-N 1 0 305.849 4.431 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001192756973 1049138283 /nfs/dbraw/zinc/13/82/83/1049138283.db2.gz KEQZRPKGGSNLII-HOTGVXAUSA-N 1 0 315.457 4.469 20 30 DIEDRO CC(C)C[N@H+](Cc1cc(C#N)ccc1N(C)C)CC(C)(C)C ZINC001204315270 1049140743 /nfs/dbraw/zinc/14/07/43/1049140743.db2.gz UIYDPYAKXBQXNZ-UHFFFAOYSA-N 1 0 301.478 4.128 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(F)c2cccnc12)c1ccccc1 ZINC001192791931 1049141433 /nfs/dbraw/zinc/14/14/33/1049141433.db2.gz NPJRAMSLBZDMLE-LJQANCHMSA-N 1 0 304.368 4.228 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(F)c2cccnc12)c1ccccc1 ZINC001192791930 1049141572 /nfs/dbraw/zinc/14/15/72/1049141572.db2.gz NPJRAMSLBZDMLE-IBGZPJMESA-N 1 0 304.368 4.228 20 30 DIEDRO CO[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC001179248445 1049147553 /nfs/dbraw/zinc/14/75/53/1049147553.db2.gz RUJOZOMZVQMEIQ-LJQANCHMSA-N 1 0 314.473 4.173 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc1C ZINC001204357444 1049149956 /nfs/dbraw/zinc/14/99/56/1049149956.db2.gz UYVLRMAEXYGPFT-UHFFFAOYSA-N 1 0 322.427 4.500 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC12CC2 ZINC001179304383 1049152550 /nfs/dbraw/zinc/15/25/50/1049152550.db2.gz KMRTZSQOACYVQD-AWEZNQCLSA-N 1 0 303.833 4.022 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC001179325329 1049157824 /nfs/dbraw/zinc/15/78/24/1049157824.db2.gz UJHYFYMBVDNMLY-UHFFFAOYSA-N 1 0 303.475 4.231 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC001193012710 1049165786 /nfs/dbraw/zinc/16/57/86/1049165786.db2.gz UGXYDYKZYHQRIL-SFHVURJKSA-N 1 0 309.457 4.084 20 30 DIEDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)c1 ZINC001193012350 1049165965 /nfs/dbraw/zinc/16/59/65/1049165965.db2.gz QBDXXPYRNGXKCP-QGZVFWFLSA-N 1 0 308.425 4.295 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C2 ZINC001179419006 1049167766 /nfs/dbraw/zinc/16/77/66/1049167766.db2.gz GEPMMEPIZSIQON-KRWDZBQOSA-N 1 0 317.219 4.122 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1F ZINC001204469647 1049170047 /nfs/dbraw/zinc/17/00/47/1049170047.db2.gz QIKTVBZHHFKBOV-OJNYZHBWSA-N 1 0 312.310 4.111 20 30 DIEDRO C#CC[N@H+](Cc1ccc2ccccc2n1)[C@@H]1CCc2ccccc21 ZINC001204503431 1049176770 /nfs/dbraw/zinc/17/67/70/1049176770.db2.gz VBNFFSQMFWXTCG-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO Fc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c(C(F)(F)F)c1 ZINC001179562485 1049177570 /nfs/dbraw/zinc/17/75/70/1049177570.db2.gz ANBJVGIZPJJOKQ-WCBMZHEXSA-N 1 0 315.232 4.133 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccc(OC)c(COCC)c2)CC1 ZINC001179542349 1049179298 /nfs/dbraw/zinc/17/92/98/1049179298.db2.gz YVDSHYWCJXQUFK-UHFFFAOYSA-N 1 0 303.446 4.068 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001193142095 1049183400 /nfs/dbraw/zinc/18/34/00/1049183400.db2.gz QKPUZHQPYGLJEE-LJQANCHMSA-N 1 0 324.509 4.290 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cc(F)ccc2C)cc1C#N ZINC001179584676 1049185998 /nfs/dbraw/zinc/18/59/98/1049185998.db2.gz WBMVCFNAUXEIGA-UHFFFAOYSA-N 1 0 300.402 4.018 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(-c3ccccc3OC)cc2)CCC1 ZINC001179650307 1049186822 /nfs/dbraw/zinc/18/68/22/1049186822.db2.gz DTKWFEOSULEAJE-UHFFFAOYSA-N 1 0 305.421 4.398 20 30 DIEDRO C=C(C)CC[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000775586674 1049192129 /nfs/dbraw/zinc/19/21/29/1049192129.db2.gz NGRATNNEFAMNIK-KRWDZBQOSA-N 1 0 322.493 4.064 20 30 DIEDRO CC[NH+](CC)CCCC1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001193323280 1049197807 /nfs/dbraw/zinc/19/78/07/1049197807.db2.gz HCWKCOZQDYOOIU-FQEVSTJZSA-N 1 0 313.489 4.085 20 30 DIEDRO Cc1cccc([C@@H]2CC[N@H+](Cc3c(C)cc(C#N)cc3C)C2)c1 ZINC001193324541 1049198070 /nfs/dbraw/zinc/19/80/70/1049198070.db2.gz OWLFMDQMWWRINK-HXUWFJFHSA-N 1 0 304.437 4.473 20 30 DIEDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1C ZINC000115630229 1049198998 /nfs/dbraw/zinc/19/89/98/1049198998.db2.gz GHOZWWHYKQLIGL-DOTOQJQBSA-N 1 0 308.425 4.445 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1Cl ZINC001179755851 1049204901 /nfs/dbraw/zinc/20/49/01/1049204901.db2.gz WGRUBHSRECWNEV-QGZVFWFLSA-N 1 0 321.848 4.096 20 30 DIEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001193401325 1049207036 /nfs/dbraw/zinc/20/70/36/1049207036.db2.gz IZWGMZJFBINVHK-ZBFHGGJFSA-N 1 0 311.347 4.105 20 30 DIEDRO CC(C)(CC1CCCCCC1)[NH2+]C[C@@H](O)c1cccc(C#N)c1 ZINC001193474081 1049214681 /nfs/dbraw/zinc/21/46/81/1049214681.db2.gz UJAYSQYDCFRYDY-LJQANCHMSA-N 1 0 314.473 4.320 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)Cc2cccc(C#N)n2)cc1 ZINC001179877939 1049225783 /nfs/dbraw/zinc/22/57/83/1049225783.db2.gz KPHYPETVOYBZTM-UXHICEINSA-N 1 0 305.425 4.030 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(O)c1 ZINC001204697015 1049229000 /nfs/dbraw/zinc/22/90/00/1049229000.db2.gz JEPFIERIBMHTAP-UHFFFAOYSA-N 1 0 308.425 4.231 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858239914 1049230023 /nfs/dbraw/zinc/23/00/23/1049230023.db2.gz ZIBUMOZZEHTWQE-OAQYLSRUSA-N 1 0 320.436 4.115 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000858291720 1049235998 /nfs/dbraw/zinc/23/59/98/1049235998.db2.gz HZQUPQAJWLXEST-UHFFFAOYSA-N 1 0 305.372 4.456 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC001193649512 1049240874 /nfs/dbraw/zinc/24/08/74/1049240874.db2.gz RSFPDXSIYFKOHK-WQGACYEGSA-N 1 0 321.262 4.235 20 30 DIEDRO C=CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC001179997641 1049246171 /nfs/dbraw/zinc/24/61/71/1049246171.db2.gz REHCMQPIHMZHFX-FLIBITNWSA-N 1 0 306.453 4.454 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](CCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC001204756653 1049255436 /nfs/dbraw/zinc/25/54/36/1049255436.db2.gz NGTQDXWXHHHJHY-QGZVFWFLSA-N 1 0 322.452 4.043 20 30 DIEDRO C#Cc1ccc(C[N@H+](C)Cc2csc(Br)c2)cc1 ZINC001179966284 1049255887 /nfs/dbraw/zinc/25/58/87/1049255887.db2.gz ISRFLVKEERHOIC-UHFFFAOYSA-N 1 0 320.255 4.124 20 30 DIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2csc(C#N)c2)c1 ZINC001204776316 1049260024 /nfs/dbraw/zinc/26/00/24/1049260024.db2.gz NPAIJWNKMRBNEG-SFHVURJKSA-N 1 0 311.454 4.023 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cn(C(F)F)c3ccccc23)C1 ZINC000858538877 1049269785 /nfs/dbraw/zinc/26/97/85/1049269785.db2.gz PWZBECFXRBBSTB-OCCSQVGLSA-N 1 0 303.356 4.208 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858546602 1049272515 /nfs/dbraw/zinc/27/25/15/1049272515.db2.gz WGRVREGSHWVRMQ-QANKJYHBSA-N 1 0 321.848 4.036 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC(CCC)CC1 ZINC001180064349 1049272828 /nfs/dbraw/zinc/27/28/28/1049272828.db2.gz FMQYOXUXWIGJFC-UHFFFAOYSA-N 1 0 305.849 4.364 20 30 DIEDRO C=CCN(C)CC[N@@H+](CC)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001193913921 1049281716 /nfs/dbraw/zinc/28/17/16/1049281716.db2.gz ONXSQBNWMIGRQU-KRWDZBQOSA-N 1 0 302.506 4.485 20 30 DIEDRO CC(C)C(C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C(C)C ZINC001204841539 1049282042 /nfs/dbraw/zinc/28/20/42/1049282042.db2.gz UNNJMIWDLVTWPV-UHFFFAOYSA-N 1 0 314.473 4.330 20 30 DIEDRO CC(C)C[N@H+](CCc1ccc(F)cc1)Cc1csc(C#N)c1 ZINC001204859737 1049288081 /nfs/dbraw/zinc/28/80/81/1049288081.db2.gz IVCISOSLZGYNJX-UHFFFAOYSA-N 1 0 316.445 4.460 20 30 DIEDRO CC[N@H+](C[C@H](C)CCC#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001180175491 1049294703 /nfs/dbraw/zinc/29/47/03/1049294703.db2.gz VMOMDJYIESUYKL-HBFSDRIKSA-N 1 0 313.489 4.084 20 30 DIEDRO CC[N@H+](C[C@H](C)CCC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001180175562 1049295895 /nfs/dbraw/zinc/29/58/95/1049295895.db2.gz VMOMDJYIESUYKL-QWFCFKBJSA-N 1 0 313.489 4.084 20 30 DIEDRO CCCCCCCOC(=O)N[C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001194020381 1049300168 /nfs/dbraw/zinc/30/01/68/1049300168.db2.gz WYROZPMICZSYDT-QAQDUYKDSA-N 1 0 312.498 4.336 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1c(C)nn(C(C)C)c1C ZINC001204900153 1049305556 /nfs/dbraw/zinc/30/55/56/1049305556.db2.gz WTSWHSMUCJMMED-UHFFFAOYSA-N 1 0 311.473 4.312 20 30 DIEDRO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC001180166325 1049305706 /nfs/dbraw/zinc/30/57/06/1049305706.db2.gz NMYIQRBPARJEDW-MRXNPFEDSA-N 1 0 318.420 4.197 20 30 DIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001180170629 1049308566 /nfs/dbraw/zinc/30/85/66/1049308566.db2.gz PUGVBXFSCJYZSQ-WOJBJXKFSA-N 1 0 305.425 4.111 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]2C(C)C)cc1OC ZINC001204976727 1049327586 /nfs/dbraw/zinc/32/75/86/1049327586.db2.gz RIGGGKNOKVQXSF-HNNXBMFYSA-N 1 0 309.837 4.144 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC001194155202 1049330987 /nfs/dbraw/zinc/33/09/87/1049330987.db2.gz ZRFBQGKDISESRC-BEFAXECRSA-N 1 0 306.409 4.150 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc2cc(OC)ccc2o1 ZINC001204983911 1049331414 /nfs/dbraw/zinc/33/14/14/1049331414.db2.gz DIRHTQYVTBMWNV-UHFFFAOYSA-N 1 0 311.381 4.265 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC001194155211 1049331585 /nfs/dbraw/zinc/33/15/85/1049331585.db2.gz ZRFBQGKDISESRC-HNAYVOBHSA-N 1 0 306.409 4.150 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1cccc(OC(C)(C)C)c1 ZINC001194163499 1049332927 /nfs/dbraw/zinc/33/29/27/1049332927.db2.gz HVFAUPQWUSTINR-UHFFFAOYSA-N 1 0 307.437 4.499 20 30 DIEDRO C#CC[N@@H+](CCc1ccc(C)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001180296738 1049339418 /nfs/dbraw/zinc/33/94/18/1049339418.db2.gz LBOIIHWRSAPDTD-JOCHJYFZSA-N 1 0 303.449 4.469 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC001205007683 1049340324 /nfs/dbraw/zinc/34/03/24/1049340324.db2.gz MHUYIYWKXCEZHU-NEPJUHHUSA-N 1 0 312.251 4.463 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000924806947 1049343385 /nfs/dbraw/zinc/34/33/85/1049343385.db2.gz RQGIGMMAGBMHOY-HUUCEWRRSA-N 1 0 319.880 4.084 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC001194222633 1049345004 /nfs/dbraw/zinc/34/50/04/1049345004.db2.gz WGDHXOGMQHNNLV-UHFFFAOYSA-N 1 0 302.421 4.464 20 30 DIEDRO C=CCC1([NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CCOCC1 ZINC000668551831 1049345319 /nfs/dbraw/zinc/34/53/19/1049345319.db2.gz XXMWEABQSPFGAZ-ZWKOTPCHSA-N 1 0 314.473 4.131 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC000668552386 1049345393 /nfs/dbraw/zinc/34/53/93/1049345393.db2.gz KRAXDONTJWUGRT-UHFFFAOYSA-N 1 0 317.326 4.059 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](C)c1cc(F)cc(F)c1 ZINC001180331829 1049347157 /nfs/dbraw/zinc/34/71/57/1049347157.db2.gz KRBJHLDIWDHXOR-CQSZACIVSA-N 1 0 305.368 4.392 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001180437220 1049357373 /nfs/dbraw/zinc/35/73/73/1049357373.db2.gz CWINGBOUMUSOAK-UHFFFAOYSA-N 1 0 323.362 4.494 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860136866 1049370495 /nfs/dbraw/zinc/37/04/95/1049370495.db2.gz BMEVXXJKZJRMAQ-OXQOHEQNSA-N 1 0 317.473 4.185 20 30 DIEDRO C=CCSCC(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001180562427 1049381267 /nfs/dbraw/zinc/38/12/67/1049381267.db2.gz RUKDYJOBNWRPAQ-UHFFFAOYSA-N 1 0 317.479 4.491 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC001194579137 1049396100 /nfs/dbraw/zinc/39/61/00/1049396100.db2.gz MUUMSDZXXWKKLI-VMBOVVBDSA-N 1 0 323.358 4.105 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC001180686205 1049398185 /nfs/dbraw/zinc/39/81/85/1049398185.db2.gz COTIXBPXEXICSN-OAHLLOKOSA-N 1 0 312.498 4.404 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)ccc1F ZINC001205192849 1049407648 /nfs/dbraw/zinc/40/76/48/1049407648.db2.gz HOCOFOGMPFCVER-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO CCCCCCCCOC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC001194730674 1049413972 /nfs/dbraw/zinc/41/39/72/1049413972.db2.gz YEXRXKAAKIAPRM-UHFFFAOYSA-N 1 0 310.482 4.044 20 30 DIEDRO CCCCCCCCOC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001194752171 1049417158 /nfs/dbraw/zinc/41/71/58/1049417158.db2.gz DWEREXDGGFJFAI-BJWYYQGGSA-N 1 0 310.482 4.088 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205256005 1049418358 /nfs/dbraw/zinc/41/83/58/1049418358.db2.gz NPPVDGMVLDLXJU-UHFFFAOYSA-N 1 0 315.420 4.225 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC001180928225 1049420157 /nfs/dbraw/zinc/42/01/57/1049420157.db2.gz WURFNDKFULTWQU-VXGBXAGGSA-N 1 0 312.251 4.463 20 30 DIEDRO C[N@H+](CCCC1CCCCC1)CCOCc1ccc(C#N)cc1 ZINC001194791786 1049424834 /nfs/dbraw/zinc/42/48/34/1049424834.db2.gz OKPZJEXFFGSSNC-UHFFFAOYSA-N 1 0 314.473 4.367 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001181122633 1049443276 /nfs/dbraw/zinc/44/32/76/1049443276.db2.gz MSHBCWPRXBXDNK-RTBURBONSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001181132635 1049444831 /nfs/dbraw/zinc/44/48/31/1049444831.db2.gz GKPWHMOASAHLIN-HNNXBMFYSA-N 1 0 315.461 4.218 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000588216083 1049448646 /nfs/dbraw/zinc/44/86/46/1049448646.db2.gz LFVNHZPAOHYERV-LJQANCHMSA-N 1 0 308.425 4.458 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)C1 ZINC000613255062 1049450729 /nfs/dbraw/zinc/45/07/29/1049450729.db2.gz BKYPWXDQFUXMAH-RYUDHWBXSA-N 1 0 313.228 4.044 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C1CC1 ZINC001205390554 1049457264 /nfs/dbraw/zinc/45/72/64/1049457264.db2.gz AESLCXNPQAIXOD-BTYIYWSLSA-N 1 0 320.436 4.301 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001181287089 1049460021 /nfs/dbraw/zinc/46/00/21/1049460021.db2.gz YVRIMRBPQXCYKV-IAGOWNOFSA-N 1 0 324.509 4.404 20 30 DIEDRO COCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)c1ccccc1 ZINC000486726277 1049461100 /nfs/dbraw/zinc/46/11/00/1049461100.db2.gz BFDAXNDSBHTXKK-QGZVFWFLSA-N 1 0 308.425 4.076 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001205434490 1049468752 /nfs/dbraw/zinc/46/87/52/1049468752.db2.gz NVXDOTNNKRSRNX-ZIGSKRJUSA-N 1 0 321.411 4.377 20 30 DIEDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000486795513 1049474469 /nfs/dbraw/zinc/47/44/69/1049474469.db2.gz HLNVWVKZSJYMEH-QGZVFWFLSA-N 1 0 324.428 4.153 20 30 DIEDRO CN(Cc1ccccc1C#N)Cc1ccccc1C(F)(F)F ZINC000043643488 1049478261 /nfs/dbraw/zinc/47/82/61/1049478261.db2.gz UOBCXTGYXLJOIA-UHFFFAOYSA-N 1 0 304.315 4.209 20 30 DIEDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000486803841 1049478464 /nfs/dbraw/zinc/47/84/64/1049478464.db2.gz XEKWWZSJQYAEAM-QGZVFWFLSA-N 1 0 324.428 4.153 20 30 DIEDRO C=CCCCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC001205471585 1049479725 /nfs/dbraw/zinc/47/97/25/1049479725.db2.gz OCTNRMKDOJIOCK-CQSZACIVSA-N 1 0 308.263 4.252 20 30 DIEDRO CC1(C)[C@H]([NH2+]C2CCC(C#N)CC2)C[C@@H]1OCc1ccccc1 ZINC001205488944 1049482514 /nfs/dbraw/zinc/48/25/14/1049482514.db2.gz FSERKPIXYQOTFG-AWRGBYNESA-N 1 0 312.457 4.042 20 30 DIEDRO C[NH+]1CCC(CNc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC001205492756 1049486709 /nfs/dbraw/zinc/48/67/09/1049486709.db2.gz NDQHGKLXZLOASD-UHFFFAOYSA-N 1 0 321.424 4.104 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000777251487 1049488643 /nfs/dbraw/zinc/48/86/43/1049488643.db2.gz YGYDTHTZMQGDIB-OAHLLOKOSA-N 1 0 306.409 4.297 20 30 DIEDRO C#C[C@H](CC)[NH2+]Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001181575281 1049491831 /nfs/dbraw/zinc/49/18/31/1049491831.db2.gz GLTCXJPVZKOWDC-GFCCVEGCSA-N 1 0 300.229 4.282 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1c(C)cc(C)c(COC)c1C ZINC001181638061 1049493404 /nfs/dbraw/zinc/49/34/04/1049493404.db2.gz PCPVCIWHZBKAJL-UHFFFAOYSA-N 1 0 321.464 4.394 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000862440432 1049494261 /nfs/dbraw/zinc/49/42/61/1049494261.db2.gz HQXSFZHBLALJEN-CQSZACIVSA-N 1 0 301.459 4.015 20 30 DIEDRO C#C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC001181647009 1049498694 /nfs/dbraw/zinc/49/86/94/1049498694.db2.gz SHKRKCIYBIWYAZ-CYBMUJFWSA-N 1 0 314.226 4.227 20 30 DIEDRO COc1cc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)ccc1C#N ZINC000569630231 1049507844 /nfs/dbraw/zinc/50/78/44/1049507844.db2.gz WNRLNRIKLSMYDC-FQEVSTJZSA-N 1 0 324.399 4.255 20 30 DIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001195278917 1049508104 /nfs/dbraw/zinc/50/81/04/1049508104.db2.gz LMAORHSCWOBJCT-OALUTQOASA-N 1 0 314.473 4.474 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCCC[C@@H]1CC ZINC001181697596 1049508633 /nfs/dbraw/zinc/50/86/33/1049508633.db2.gz LKGWXSBUXMLCNB-DLBZAZTESA-N 1 0 305.462 4.366 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC001205608838 1049510211 /nfs/dbraw/zinc/51/02/11/1049510211.db2.gz LDRZULGYSXTNNK-IBGZPJMESA-N 1 0 313.828 4.141 20 30 DIEDRO C[C@]1(C[NH2+]C2(c3cccc(C#N)c3)CC2)C[C@@H]1c1ccccc1 ZINC001181698990 1049510844 /nfs/dbraw/zinc/51/08/44/1049510844.db2.gz XBEIXDGKWFJQNI-WOJBJXKFSA-N 1 0 302.421 4.331 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](OC)CC1)c1ccc(Cl)cc1F ZINC001181699096 1049511578 /nfs/dbraw/zinc/51/15/78/1049511578.db2.gz YZYWQAYWLFPCFO-CPUCHLNUSA-N 1 0 309.812 4.091 20 30 DIEDRO C#C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(Cl)cc1F ZINC001181699048 1049511886 /nfs/dbraw/zinc/51/18/86/1049511886.db2.gz YDEJZLBBKXNRQQ-AWEZNQCLSA-N 1 0 301.739 4.321 20 30 DIEDRO CCCC1CCC([N@H+](C)Cc2cc(C#N)ccc2N(C)C)CC1 ZINC001205640127 1049518342 /nfs/dbraw/zinc/51/83/42/1049518342.db2.gz XEMRQWZBXGUXLX-UHFFFAOYSA-N 1 0 313.489 4.415 20 30 DIEDRO C=CCCC[NH2+]C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001205639746 1049518541 /nfs/dbraw/zinc/51/85/41/1049518541.db2.gz KFCSUWNPUUKASI-HNNXBMFYSA-N 1 0 312.498 4.262 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC001181819606 1049525736 /nfs/dbraw/zinc/52/57/36/1049525736.db2.gz YBWZQDNPYQUTLV-NSHDSACASA-N 1 0 314.242 4.321 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC001181828133 1049527256 /nfs/dbraw/zinc/52/72/56/1049527256.db2.gz RCJZBPSUDFDJNG-BSDSXHPESA-N 1 0 319.493 4.105 20 30 DIEDRO C#CC[C@H]1CCC[N@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC001195463350 1049531152 /nfs/dbraw/zinc/53/11/52/1049531152.db2.gz LFVHHYYVMYERMN-HNNXBMFYSA-N 1 0 302.487 4.426 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001181891947 1049541006 /nfs/dbraw/zinc/54/10/06/1049541006.db2.gz HHSOBQZKAGGPKK-OWLYRPNTSA-N 1 0 305.849 4.299 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1)C(C)C ZINC001205714147 1049541281 /nfs/dbraw/zinc/54/12/81/1049541281.db2.gz TWKKCVSNRZFRDR-JQFCIGGWSA-N 1 0 309.375 4.378 20 30 DIEDRO Cc1cc(C[NH+]2CC(Cc3ccccc3Cl)C2)ccc1C#N ZINC001205707139 1049541296 /nfs/dbraw/zinc/54/12/96/1049541296.db2.gz YABHSBKCNGCHBY-UHFFFAOYSA-N 1 0 310.828 4.195 20 30 DIEDRO CC(C)(C)SCCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC001195558732 1049544102 /nfs/dbraw/zinc/54/41/02/1049544102.db2.gz QDIMPCZUHHIPRD-UHFFFAOYSA-N 1 0 302.487 4.449 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC001195630736 1049546764 /nfs/dbraw/zinc/54/67/64/1049546764.db2.gz LQCNYVXZZGJRRK-UHFFFAOYSA-N 1 0 321.468 4.393 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@H](C)c2cccc(Cl)c2)cc1 ZINC001181922530 1049549671 /nfs/dbraw/zinc/54/96/71/1049549671.db2.gz YJNUKMVVQNVMML-HNNXBMFYSA-N 1 0 313.828 4.245 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc3cnccc3o2)cc1 ZINC001205753086 1049554225 /nfs/dbraw/zinc/55/42/25/1049554225.db2.gz SAXBRDNNGWMAOO-CQSZACIVSA-N 1 0 308.381 4.243 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001205755247 1049555264 /nfs/dbraw/zinc/55/52/64/1049555264.db2.gz FWQGJDLRJCXAPA-JOCHJYFZSA-N 1 0 303.449 4.482 20 30 DIEDRO C=CCCCCC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC001195712223 1049560393 /nfs/dbraw/zinc/56/03/93/1049560393.db2.gz JEVLSNAHHHCCIC-UHFFFAOYSA-N 1 0 324.509 4.360 20 30 DIEDRO C#C[C@H]([NH2+]C[C@H](C)c1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001182020876 1049564015 /nfs/dbraw/zinc/56/40/15/1049564015.db2.gz OPATZHIQXCLNJO-SGTLLEGYSA-N 1 0 303.327 4.172 20 30 DIEDRO CCCC[N@H+](Cc1ccccc1O)Cc1cccc(F)c1C#N ZINC000794544184 1049584545 /nfs/dbraw/zinc/58/45/45/1049584545.db2.gz JULJZWADNNCKQZ-UHFFFAOYSA-N 1 0 312.388 4.205 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000488125592 1049600928 /nfs/dbraw/zinc/60/09/28/1049600928.db2.gz FRDWQWQHTDGNMZ-OAHLLOKOSA-N 1 0 300.446 4.432 20 30 DIEDRO C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC001182261775 1049601147 /nfs/dbraw/zinc/60/11/47/1049601147.db2.gz NVPLMJJTJNLOIL-KEGWNNHHSA-N 1 0 314.473 4.492 20 30 DIEDRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC001182261774 1049601608 /nfs/dbraw/zinc/60/16/08/1049601608.db2.gz NVPLMJJTJNLOIL-FUTAKVPZSA-N 1 0 314.473 4.492 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OCC#N)[C@H](C)C1 ZINC000775682841 1049602826 /nfs/dbraw/zinc/60/28/26/1049602826.db2.gz MPYZFDWWQXWGRJ-IOASZLSFSA-N 1 0 306.837 4.157 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)ccc1C#N ZINC000488129246 1049603549 /nfs/dbraw/zinc/60/35/49/1049603549.db2.gz NPLLVUHTLNMGLZ-QGZVFWFLSA-N 1 0 319.452 4.318 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)ccc1C#N ZINC000488129245 1049603772 /nfs/dbraw/zinc/60/37/72/1049603772.db2.gz NPLLVUHTLNMGLZ-KRWDZBQOSA-N 1 0 319.452 4.318 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC001196055744 1049606489 /nfs/dbraw/zinc/60/64/89/1049606489.db2.gz GZTWDAIPYXBGJZ-MSOLQXFVSA-N 1 0 307.441 4.368 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC001196057739 1049608183 /nfs/dbraw/zinc/60/81/83/1049608183.db2.gz SVMACVJRRFHHHM-JLZZUVOBSA-N 1 0 311.828 4.237 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001205974134 1049614972 /nfs/dbraw/zinc/61/49/72/1049614972.db2.gz MGIJXRUKAXVHNR-ACJLOTCBSA-N 1 0 301.792 4.374 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccc(F)cc1 ZINC001205974872 1049616521 /nfs/dbraw/zinc/61/65/21/1049616521.db2.gz VVHAOUYQDDSHRO-ULQDDVLXSA-N 1 0 303.421 4.072 20 30 DIEDRO Cc1ccccc1CC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC001205980595 1049616574 /nfs/dbraw/zinc/61/65/74/1049616574.db2.gz PZTZSEUAHSCODS-UHFFFAOYSA-N 1 0 306.453 4.471 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(-c3ccc(F)cc3)no2)CCCC1 ZINC001196149731 1049619447 /nfs/dbraw/zinc/61/94/47/1049619447.db2.gz FURVDFAEGIAHDF-UHFFFAOYSA-N 1 0 300.377 4.459 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CCCC1 ZINC001196149798 1049619534 /nfs/dbraw/zinc/61/95/34/1049619534.db2.gz IHNRDSHEBDIYCT-UHFFFAOYSA-N 1 0 307.821 4.105 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H]1CC=C(C)CC1)c1ccc(Br)cc1 ZINC001205988667 1049620935 /nfs/dbraw/zinc/62/09/35/1049620935.db2.gz HUUGGKGOZZVHPN-HZPDHXFCSA-N 1 0 304.231 4.212 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](Cc3ccc(C#N)c(OC)c3)C2)cc1 ZINC001206023467 1049632529 /nfs/dbraw/zinc/63/25/29/1049632529.db2.gz QAFUJFNCTPJBTB-FQEVSTJZSA-N 1 0 320.436 4.119 20 30 DIEDRO CCCCC[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001196330437 1049643263 /nfs/dbraw/zinc/64/32/63/1049643263.db2.gz YFGKGQDIINYERH-GOSISDBHSA-N 1 0 300.446 4.372 20 30 DIEDRO CC(C)[PH+](CCNC(=S)Nc1ccccc1C#N)C(C)C ZINC001196350351 1049644684 /nfs/dbraw/zinc/64/46/84/1049644684.db2.gz GAQBTXXAMMRLQU-UHFFFAOYSA-N 1 0 321.430 4.143 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001206094284 1049651511 /nfs/dbraw/zinc/65/15/11/1049651511.db2.gz FFHRZJLZITWRBI-UHFFFAOYSA-N 1 0 311.429 4.143 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001196442231 1049652807 /nfs/dbraw/zinc/65/28/07/1049652807.db2.gz POSOZDLOYNTIKU-OAHLLOKOSA-N 1 0 301.430 4.040 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC001196441721 1049652841 /nfs/dbraw/zinc/65/28/41/1049652841.db2.gz MBMAKXZVYLQXGL-SNVBAGLBSA-N 1 0 305.290 4.382 20 30 DIEDRO CC(C)c1cccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC001196419781 1049656244 /nfs/dbraw/zinc/65/62/44/1049656244.db2.gz PBEMGMCBANCHNK-UHFFFAOYSA-N 1 0 319.452 4.456 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000775723830 1049665437 /nfs/dbraw/zinc/66/54/37/1049665437.db2.gz NWDLDOYBIUOSKE-MOPGFXCFSA-N 1 0 317.379 4.214 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000775726094 1049668364 /nfs/dbraw/zinc/66/83/64/1049668364.db2.gz YZYVMNWXTLTHSQ-QZTJIDSGSA-N 1 0 321.342 4.044 20 30 DIEDRO C#CCCCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000774467106 1049670318 /nfs/dbraw/zinc/67/03/18/1049670318.db2.gz YRUCUQUQANZQNF-MRXNPFEDSA-N 1 0 306.247 4.293 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000775726101 1049670350 /nfs/dbraw/zinc/67/03/50/1049670350.db2.gz YZYVMNWXTLTHSQ-ZWKOTPCHSA-N 1 0 321.342 4.044 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000774480613 1049674561 /nfs/dbraw/zinc/67/45/61/1049674561.db2.gz WVTTXFSBTIMXPU-JKSUJKDBSA-N 1 0 316.445 4.429 20 30 DIEDRO CC(C)Oc1ccccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001196624002 1049678521 /nfs/dbraw/zinc/67/85/21/1049678521.db2.gz WQIUMTKILNHXMN-UHFFFAOYSA-N 1 0 320.436 4.098 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000774513801 1049685627 /nfs/dbraw/zinc/68/56/27/1049685627.db2.gz UMDSIUYLRIQFIH-PMPSAXMXSA-N 1 0 310.482 4.109 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC001182806305 1049710228 /nfs/dbraw/zinc/71/02/28/1049710228.db2.gz RVNKHLSKGANXCR-LBPRGKRZSA-N 1 0 312.226 4.376 20 30 DIEDRO CCSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001206342493 1049716159 /nfs/dbraw/zinc/71/61/59/1049716159.db2.gz KANCFXICOZZYTP-CYBMUJFWSA-N 1 0 316.495 4.453 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC001206358925 1049719930 /nfs/dbraw/zinc/71/99/30/1049719930.db2.gz YDROKEMWEMPNKN-STQMWFEESA-N 1 0 312.479 4.329 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC001206358963 1049721676 /nfs/dbraw/zinc/72/16/76/1049721676.db2.gz YRIMZTFPKJYCKF-JFRXWTBNSA-N 1 0 319.876 4.232 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001206372137 1049722032 /nfs/dbraw/zinc/72/20/32/1049722032.db2.gz XDSMOTXQAAGCJH-YLFCFFPRSA-N 1 0 322.493 4.157 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001206385226 1049723605 /nfs/dbraw/zinc/72/36/05/1049723605.db2.gz TVWSWSRTUVFSNG-ZWKOTPCHSA-N 1 0 316.489 4.246 20 30 DIEDRO CC(C)Cc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC001206376418 1049724312 /nfs/dbraw/zinc/72/43/12/1049724312.db2.gz GOBQZWPMYOKKKG-INIZCTEOSA-N 1 0 307.441 4.345 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000489131266 1049730932 /nfs/dbraw/zinc/73/09/32/1049730932.db2.gz PJISJXMLKJJLJG-HNNXBMFYSA-N 1 0 306.409 4.204 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC001197368591 1049749080 /nfs/dbraw/zinc/74/90/80/1049749080.db2.gz IXYWKNJYVHHRBK-IBGZPJMESA-N 1 0 308.450 4.238 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000028924931 1049751184 /nfs/dbraw/zinc/75/11/84/1049751184.db2.gz XUNIBKMXBMVPRM-OAHLLOKOSA-N 1 0 324.424 4.061 20 30 DIEDRO CCC[NH+](CCC)c1ccc(NCc2cccc(C#N)n2)cc1 ZINC001206524063 1049751770 /nfs/dbraw/zinc/75/17/70/1049751770.db2.gz XAXSZXWTVSUYDK-UHFFFAOYSA-N 1 0 308.429 4.192 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC001197497312 1049756931 /nfs/dbraw/zinc/75/69/31/1049756931.db2.gz PQRUFFHKMRAMBJ-INIZCTEOSA-N 1 0 315.457 4.207 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC001197497313 1049757576 /nfs/dbraw/zinc/75/75/76/1049757576.db2.gz PQRUFFHKMRAMBJ-MRXNPFEDSA-N 1 0 315.457 4.207 20 30 DIEDRO Fc1ccc(C#CC[NH+]2CCC(c3cccc(F)c3)CC2)cc1 ZINC001197507527 1049757900 /nfs/dbraw/zinc/75/79/00/1049757900.db2.gz VUJYIGIEQMLEIY-UHFFFAOYSA-N 1 0 311.375 4.196 20 30 DIEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000489466443 1049760550 /nfs/dbraw/zinc/76/05/50/1049760550.db2.gz YBDXRZBXSVIMMO-IBGZPJMESA-N 1 0 308.425 4.201 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC001206637107 1049773433 /nfs/dbraw/zinc/77/34/33/1049773433.db2.gz WJFMKEBTLYVGGS-AEFFLSMTSA-N 1 0 303.494 4.479 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC001206637109 1049773688 /nfs/dbraw/zinc/77/36/88/1049773688.db2.gz WJFMKEBTLYVGGS-SJLPKXTDSA-N 1 0 303.494 4.479 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001206697588 1049780921 /nfs/dbraw/zinc/78/09/21/1049780921.db2.gz YRWUWXBOPLUIFA-OWCLPIDISA-N 1 0 310.482 4.109 20 30 DIEDRO C[C@]1(C#N)CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001206744260 1049790814 /nfs/dbraw/zinc/79/08/14/1049790814.db2.gz XLCJHIYFCFZFDR-JOCHJYFZSA-N 1 0 318.464 4.324 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001206777924 1049798591 /nfs/dbraw/zinc/79/85/91/1049798591.db2.gz XEBRNLUXNFFOEX-DOTOQJQBSA-N 1 0 316.445 4.498 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2sc(C)cc2Br)C1 ZINC001206800434 1049801473 /nfs/dbraw/zinc/80/14/73/1049801473.db2.gz KPTSSMQMYDDHMH-LLVKDONJSA-N 1 0 300.265 4.217 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000490140025 1049805995 /nfs/dbraw/zinc/80/59/95/1049805995.db2.gz QNBLSADHELEIFE-HNNXBMFYSA-N 1 0 312.388 4.159 20 30 DIEDRO CCC[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)C1CCC1 ZINC001207036329 1049822948 /nfs/dbraw/zinc/82/29/48/1049822948.db2.gz XMERUBZONLPEKR-IBGZPJMESA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001207050039 1049828304 /nfs/dbraw/zinc/82/83/04/1049828304.db2.gz QUWSRUZMRDNPAM-BBWFWOEESA-N 1 0 324.509 4.499 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001207050042 1049828549 /nfs/dbraw/zinc/82/85/49/1049828549.db2.gz QUWSRUZMRDNPAM-YESZJQIVSA-N 1 0 324.509 4.499 20 30 DIEDRO CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]CC#Cc1ccccc1 ZINC001207067830 1049830699 /nfs/dbraw/zinc/83/06/99/1049830699.db2.gz ZSNKPDXBWSNCDL-HXUWFJFHSA-N 1 0 316.448 4.141 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC001207174261 1049850104 /nfs/dbraw/zinc/85/01/04/1049850104.db2.gz HQVRCRSJTBGZOZ-VQTJNVASSA-N 1 0 300.490 4.376 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)CC2 ZINC001207179180 1049851181 /nfs/dbraw/zinc/85/11/81/1049851181.db2.gz BLGNGOZNJDKYHQ-AZUAARDMSA-N 1 0 322.839 4.373 20 30 DIEDRO Cc1ccc2cc(C[N@H+](C)CCc3cccc(C#N)c3)ccc2n1 ZINC001207218358 1049864201 /nfs/dbraw/zinc/86/42/01/1049864201.db2.gz JRANPJRZLWLSMG-UHFFFAOYSA-N 1 0 315.420 4.089 20 30 DIEDRO C#CCN(CC)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000490820244 1049867553 /nfs/dbraw/zinc/86/75/53/1049867553.db2.gz MPNOHMSHQPIURR-JTQLQIEISA-N 1 0 324.211 4.060 20 30 DIEDRO C[C@H](C[NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cccc(Cl)c1 ZINC001207243575 1049869681 /nfs/dbraw/zinc/86/96/81/1049869681.db2.gz NUNYSIJZDXUIEW-YJYMSZOUSA-N 1 0 310.828 4.072 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CCC1CCCCC1)CCO2 ZINC001207260709 1049871234 /nfs/dbraw/zinc/87/12/34/1049871234.db2.gz WRZSWGQWKYCKGG-VQTJNVASSA-N 1 0 321.505 4.031 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001207406788 1049887483 /nfs/dbraw/zinc/88/74/83/1049887483.db2.gz KBCGHRIQDHWYAL-MOPGFXCFSA-N 1 0 318.505 4.280 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001207406790 1049887932 /nfs/dbraw/zinc/88/79/32/1049887932.db2.gz KBCGHRIQDHWYAL-RBUKOAKNSA-N 1 0 318.505 4.280 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000586773599 1049893610 /nfs/dbraw/zinc/89/36/10/1049893610.db2.gz WGOOPOSLJNRPQY-UHFFFAOYSA-N 1 0 306.409 4.370 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CCC3)CC2)c(Br)c1 ZINC000586782976 1049898731 /nfs/dbraw/zinc/89/87/31/1049898731.db2.gz DCELHUQKIPPDNY-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586779762 1049899141 /nfs/dbraw/zinc/89/91/41/1049899141.db2.gz ZAKLCGQILRPVJP-VQIMIIECSA-N 1 0 314.473 4.003 20 30 DIEDRO N#C[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC001207525544 1049904925 /nfs/dbraw/zinc/90/49/25/1049904925.db2.gz CVWGJOYHGUITJB-SFHVURJKSA-N 1 0 304.437 4.444 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC(F)(C2CC2)CC1 ZINC001207715508 1049929634 /nfs/dbraw/zinc/92/96/34/1049929634.db2.gz HFDNKUGLAMHHKC-UHFFFAOYSA-N 1 0 321.823 4.066 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2cccc(F)c2C#N)C2CCC2)cc1 ZINC001207719955 1049930997 /nfs/dbraw/zinc/93/09/97/1049930997.db2.gz SKPBYRPZNXGGLD-HXUWFJFHSA-N 1 0 324.399 4.337 20 30 DIEDRO CC[NH+](CC)CC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC001207806834 1049941929 /nfs/dbraw/zinc/94/19/29/1049941929.db2.gz YVKAFTDVPKYVIC-HKUYNNGSSA-N 1 0 315.505 4.378 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001207845861 1049945970 /nfs/dbraw/zinc/94/59/70/1049945970.db2.gz PFGDHSWIWKTWMT-OAHLLOKOSA-N 1 0 310.363 4.264 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001207845860 1049946113 /nfs/dbraw/zinc/94/61/13/1049946113.db2.gz PFGDHSWIWKTWMT-HNNXBMFYSA-N 1 0 310.363 4.264 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001207845761 1049946218 /nfs/dbraw/zinc/94/62/18/1049946218.db2.gz MMLIXMYEIIQUFX-OAHLLOKOSA-N 1 0 310.363 4.264 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001207899066 1049949881 /nfs/dbraw/zinc/94/98/81/1049949881.db2.gz LCFQJNCMQFTZNH-UHFFFAOYSA-N 1 0 320.521 4.284 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC001207894192 1049950435 /nfs/dbraw/zinc/95/04/35/1049950435.db2.gz CWAUSCBRSHVIGE-UTKZUKDTSA-N 1 0 320.436 4.300 20 30 DIEDRO C=CCCCCCCCCC[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001207895607 1049950672 /nfs/dbraw/zinc/95/06/72/1049950672.db2.gz AMSVOWXNUSANTF-MRXNPFEDSA-N 1 0 303.437 4.243 20 30 DIEDRO C=CCCCCCCCCC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001207899598 1049952350 /nfs/dbraw/zinc/95/23/50/1049952350.db2.gz ICJHSVXIGWLNGK-MOPGFXCFSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCCCCCCCCC[N@@H+]1CCOC2(CCOCC2)C1 ZINC001207900117 1049952434 /nfs/dbraw/zinc/95/24/34/1049952434.db2.gz UTKPKKMMRISIIV-UHFFFAOYSA-N 1 0 309.494 4.175 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001207899953 1049953309 /nfs/dbraw/zinc/95/33/09/1049953309.db2.gz QXHMMPRJKGOXDO-UHFFFAOYSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(N2CCCC2=O)CC1 ZINC001207900156 1049953368 /nfs/dbraw/zinc/95/33/68/1049953368.db2.gz WWPYRBKCTWREEM-UHFFFAOYSA-N 1 0 320.521 4.380 20 30 DIEDRO Cc1ccc(CCC[NH+]2CCC(c3cccc(C#N)c3)CC2)o1 ZINC001207948052 1049963337 /nfs/dbraw/zinc/96/33/37/1049963337.db2.gz NAPUEMHLRJTEPQ-UHFFFAOYSA-N 1 0 308.425 4.272 20 30 DIEDRO Cc1ccc(CCC[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)o1 ZINC001207948129 1049964244 /nfs/dbraw/zinc/96/42/44/1049964244.db2.gz ONCYJUQSCUSIDE-UHFFFAOYSA-N 1 0 322.452 4.347 20 30 DIEDRO N#Cc1ccccc1OC1CC[NH+](CCCC2CCCC2)CC1 ZINC001208091475 1049972948 /nfs/dbraw/zinc/97/29/48/1049972948.db2.gz HCFIOWHHLPXYQS-UHFFFAOYSA-N 1 0 312.457 4.372 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCC2(F)F)CC1 ZINC000588232423 1049976889 /nfs/dbraw/zinc/97/68/89/1049976889.db2.gz GSZRNIMPPGAEGA-CGZBRXJRSA-N 1 0 304.384 4.168 20 30 DIEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCCCC/C=C\CC)C2 ZINC001208191685 1049983584 /nfs/dbraw/zinc/98/35/84/1049983584.db2.gz WMBMNOLJXVJRDQ-SBUVDCAVSA-N 1 0 321.505 4.339 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](CCc3cccc(F)c3)CC2)c1 ZINC001208196873 1049984661 /nfs/dbraw/zinc/98/46/61/1049984661.db2.gz DJZBLKFUXKJTBJ-UHFFFAOYSA-N 1 0 308.400 4.119 20 30 DIEDRO CC(C)(CC[N@@H+]1CCc2cc(C#N)ccc2C1)c1ccccc1 ZINC001208663401 1050000087 /nfs/dbraw/zinc/00/00/87/1050000087.db2.gz KAKHNLWPXHQTBB-UHFFFAOYSA-N 1 0 304.437 4.284 20 30 DIEDRO C=CC[N@H+](CCOCCOCc1ccccc1)C1CCCCC1 ZINC001208753436 1050008497 /nfs/dbraw/zinc/00/84/97/1050008497.db2.gz IAVRYDDBOOKKMC-UHFFFAOYSA-N 1 0 317.473 4.041 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208853729 1050017315 /nfs/dbraw/zinc/01/73/15/1050017315.db2.gz UHJKWQQLNUQOAD-FQEVSTJZSA-N 1 0 320.436 4.337 20 30 DIEDRO C[N@H+](CCCc1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001208856209 1050017594 /nfs/dbraw/zinc/01/75/94/1050017594.db2.gz CTFIGQZGWXRKRP-UHFFFAOYSA-N 1 0 308.469 4.391 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001208851290 1050017778 /nfs/dbraw/zinc/01/77/78/1050017778.db2.gz VUWLHDQAWAIYHN-UHFFFAOYSA-N 1 0 302.421 4.280 20 30 DIEDRO N#Cc1cccc(CCC[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001208851240 1050017827 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N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CC(c3ccccc3)C1)CC2 ZINC000589344159 1050028077 /nfs/dbraw/zinc/02/80/77/1050028077.db2.gz AYXKRWDDKPIUMI-VFIGECHUSA-N 1 0 302.421 4.329 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000589319115 1050029308 /nfs/dbraw/zinc/02/93/08/1050029308.db2.gz MSYVZYBENGNJSG-NSHDSACASA-N 1 0 318.289 4.102 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000589317460 1050029349 /nfs/dbraw/zinc/02/93/49/1050029349.db2.gz LTPBOJOBJMGWMJ-HNNXBMFYSA-N 1 0 300.452 4.119 20 30 DIEDRO C=CCCC[NH+]1CCC(c2nc(-c3ccc(C)cc3)no2)CC1 ZINC001209162687 1050040840 /nfs/dbraw/zinc/04/08/40/1050040840.db2.gz KOJPOXYYLCFAAY-UHFFFAOYSA-N 1 0 311.429 4.191 20 30 DIEDRO C=CCCCC[N@@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001209200740 1050043517 /nfs/dbraw/zinc/04/35/17/1050043517.db2.gz NXKCIHWNAMLPCZ-UXHICEINSA-N 1 0 314.473 4.057 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001209201764 1050043537 /nfs/dbraw/zinc/04/35/37/1050043537.db2.gz QZVZFDZLZLFNIH-LJQANCHMSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001209202212 1050043740 /nfs/dbraw/zinc/04/37/40/1050043740.db2.gz CIMSTOFCCSTKTD-FQEVSTJZSA-N 1 0 316.464 4.222 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001209201883 1050043807 /nfs/dbraw/zinc/04/38/07/1050043807.db2.gz XSURPPJYZDNMNN-LJQANCHMSA-N 1 0 322.493 4.208 20 30 DIEDRO N#CCC[N@@H+](CCc1ccccc1C(F)(F)F)C1CCCC1 ZINC001209284502 1050050554 /nfs/dbraw/zinc/05/05/54/1050050554.db2.gz HXEHUUFITYLHQO-UHFFFAOYSA-N 1 0 310.363 4.406 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209423112 1050057333 /nfs/dbraw/zinc/05/73/33/1050057333.db2.gz GBIOOEHOBSRQIH-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCCCC[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001209435024 1050058258 /nfs/dbraw/zinc/05/82/58/1050058258.db2.gz CRSPKDMNRQNBNK-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CCCCCCC[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001209435252 1050058452 /nfs/dbraw/zinc/05/84/52/1050058452.db2.gz HTGLLUZOFUGDBJ-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCCCC[N@@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001209435462 1050058479 /nfs/dbraw/zinc/05/84/79/1050058479.db2.gz CYVFBCNGLYTLLV-UHFFFAOYSA-N 1 0 321.461 4.281 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001209432322 1050058662 /nfs/dbraw/zinc/05/86/62/1050058662.db2.gz CITUQFXLXOGNHG-HXUWFJFHSA-N 1 0 313.441 4.074 20 30 DIEDRO C=CCCCCCC[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001209436212 1050059235 /nfs/dbraw/zinc/05/92/35/1050059235.db2.gz SDKRDPIOATUKMI-ULQDDVLXSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC2(CCCCN2C(C)=O)CC1 ZINC001209439038 1050059257 /nfs/dbraw/zinc/05/92/57/1050059257.db2.gz GNQUACSYNOCXLE-UHFFFAOYSA-N 1 0 320.521 4.380 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(N(C(C)=O)C(C)C)CC1 ZINC001209441323 1050059484 /nfs/dbraw/zinc/05/94/84/1050059484.db2.gz HRZSACCINCQZDC-UHFFFAOYSA-N 1 0 308.510 4.234 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001209440782 1050059537 /nfs/dbraw/zinc/05/95/37/1050059537.db2.gz DCGZASVODWHMBC-UHFFFAOYSA-N 1 0 308.510 4.140 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@H]2OCCC[C@]2(COC)C1 ZINC001209440467 1050059673 /nfs/dbraw/zinc/05/96/73/1050059673.db2.gz DBBMPTXDBIRSBX-RTBURBONSA-N 1 0 309.494 4.031 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001209440596 1050059725 /nfs/dbraw/zinc/05/97/25/1050059725.db2.gz FXRJESCTGBJBFW-MOPGFXCFSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@H]2OCCC[C@@]2(COC)C1 ZINC001209440464 1050059797 /nfs/dbraw/zinc/05/97/97/1050059797.db2.gz DBBMPTXDBIRSBX-MOPGFXCFSA-N 1 0 309.494 4.031 20 30 DIEDRO C=CCCCCCC[NH+]1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001209436554 1050059828 /nfs/dbraw/zinc/05/98/28/1050059828.db2.gz UVDRTJSNFOZMBD-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(c2nnc(C)o2)CC1 ZINC001209445172 1050060075 /nfs/dbraw/zinc/06/00/75/1050060075.db2.gz GDIOKFPTBOJTRT-UHFFFAOYSA-N 1 0 305.466 4.474 20 30 DIEDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001209518077 1050066100 /nfs/dbraw/zinc/06/61/00/1050066100.db2.gz MSGNUQAWCMXDBU-GOSISDBHSA-N 1 0 307.441 4.220 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(F)c(O)c(OC)c1 ZINC001209533454 1050066780 /nfs/dbraw/zinc/06/67/80/1050066780.db2.gz LYVNDOMMCAAHBI-UHFFFAOYSA-N 1 0 315.388 4.118 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]c2ncc(Cl)cc12)Cc1ccccc1 ZINC001209599539 1050071577 /nfs/dbraw/zinc/07/15/77/1050071577.db2.gz LXDMBDYMCQDJHE-UHFFFAOYSA-N 1 0 311.816 4.405 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000590067203 1050076810 /nfs/dbraw/zinc/07/68/10/1050076810.db2.gz BMBBYDIHAHHMQW-YTBHAWNYSA-N 1 0 320.436 4.459 20 30 DIEDRO CC(C)c1ccc(OC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000590154270 1050078849 /nfs/dbraw/zinc/07/88/49/1050078849.db2.gz XNCSKTJOTSSXBT-FUHWJXTLSA-N 1 0 312.457 4.345 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000590190292 1050081055 /nfs/dbraw/zinc/08/10/55/1050081055.db2.gz ZAOOUZCFYHHWJU-OAHLLOKOSA-N 1 0 324.371 4.446 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)c1 ZINC000590254454 1050083686 /nfs/dbraw/zinc/08/36/86/1050083686.db2.gz PGWWZBUYNABNCN-FQEVSTJZSA-N 1 0 324.855 4.365 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ncc(C#N)cc2Cl)cc1 ZINC001209822533 1050089097 /nfs/dbraw/zinc/08/90/97/1050089097.db2.gz KLEVEGGQRTZCBO-UHFFFAOYSA-N 1 0 314.820 4.192 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2cc(F)c(C#N)cc2F)cc1 ZINC001209823416 1050089532 /nfs/dbraw/zinc/08/95/32/1050089532.db2.gz DUDPKTYYVRZMAL-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000572952785 1050095580 /nfs/dbraw/zinc/09/55/80/1050095580.db2.gz JIVCLYLAYDAZHW-PBHICJAKSA-N 1 0 301.409 4.336 20 30 DIEDRO CC(C)CCN(CCC#N)Cc1cc2cc(Cl)cnc2o1 ZINC000590638944 1050100727 /nfs/dbraw/zinc/10/07/27/1050100727.db2.gz XCIGUPMKSFPVID-UHFFFAOYSA-N 1 0 305.809 4.243 20 30 DIEDRO CO[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1Cl ZINC000590646681 1050101724 /nfs/dbraw/zinc/10/17/24/1050101724.db2.gz KQLWCWRZFWQIMI-PWZRNIHTSA-N 1 0 306.837 4.090 20 30 DIEDRO COc1ccc(C[N@H+](Cc2cccc(C#N)c2)[C@@H](C)C2CC2)cc1 ZINC000057602274 1050101771 /nfs/dbraw/zinc/10/17/71/1050101771.db2.gz HSEMGYWMVJWNGQ-INIZCTEOSA-N 1 0 320.436 4.368 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000590656421 1050101807 /nfs/dbraw/zinc/10/18/07/1050101807.db2.gz CGBAKEMHAKZKPE-QWRGUYRKSA-N 1 0 314.763 4.113 20 30 DIEDRO C[C@H](CCC#N)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000591012830 1050119062 /nfs/dbraw/zinc/11/90/62/1050119062.db2.gz MKRPYNZFTZELEU-CQSZACIVSA-N 1 0 315.392 4.037 20 30 DIEDRO N#CC1(CC[NH+]2CCC3(CC2)OCc2ccccc23)CCCCC1 ZINC000591016774 1050119484 /nfs/dbraw/zinc/11/94/84/1050119484.db2.gz XRBGMBHSEYXJGT-UHFFFAOYSA-N 1 0 324.468 4.372 20 30 DIEDRO C=CC[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C(C)C ZINC000760816554 1050134067 /nfs/dbraw/zinc/13/40/67/1050134067.db2.gz GVGMRBNJBMWCGU-UHFFFAOYSA-N 1 0 304.434 4.430 20 30 DIEDRO C#Cc1ccc(Nc2ccc(OCC3CC[NH+](C)CC3)cc2)cc1 ZINC001210119031 1050139566 /nfs/dbraw/zinc/13/95/66/1050139566.db2.gz RQCDIHWHRNJWBF-UHFFFAOYSA-N 1 0 320.436 4.132 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000591348890 1050141972 /nfs/dbraw/zinc/14/19/72/1050141972.db2.gz WJNUCYCFGITWAF-PMACEKPBSA-N 1 0 324.374 4.491 20 30 DIEDRO CC1(C)CC(=O)C=C(Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC001210151947 1050144871 /nfs/dbraw/zinc/14/48/71/1050144871.db2.gz VQOYNKDYGMDIEX-UHFFFAOYSA-N 1 0 312.457 4.010 20 30 DIEDRO CC1(C)CC(=O)C=C(Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001210151271 1050145120 /nfs/dbraw/zinc/14/51/20/1050145120.db2.gz BQRNMAPEUVXRGX-UHFFFAOYSA-N 1 0 312.457 4.357 20 30 DIEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCCCC1(C#N)CCC1 ZINC001170014034 1050154629 /nfs/dbraw/zinc/15/46/29/1050154629.db2.gz OFDVFWDXFBELFM-LJQANCHMSA-N 1 0 314.473 4.040 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@@H]2CCc3c(Cl)cccc3C2)cc1C ZINC001171032550 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C#CCCC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000770685812 1050184511 /nfs/dbraw/zinc/18/45/11/1050184511.db2.gz AJIQHDXFUQWTHH-OAHLLOKOSA-N 1 0 313.388 4.209 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC(C)(C)c2cccs2)cc1 ZINC000734004242 1050212352 /nfs/dbraw/zinc/21/23/52/1050212352.db2.gz YLKXUCKTCPECKN-UHFFFAOYSA-N 1 0 313.466 4.218 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3s2)cc1 ZINC000734163227 1050234479 /nfs/dbraw/zinc/23/44/79/1050234479.db2.gz CNRWXVCBEPGFBJ-AWEZNQCLSA-N 1 0 322.433 4.159 20 30 DIEDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCc2c1cccc2C#N ZINC001171063199 1050237318 /nfs/dbraw/zinc/23/73/18/1050237318.db2.gz SPUBHYWYCUROFJ-OAQYLSRUSA-N 1 0 320.460 4.254 20 30 DIEDRO C[N@@H+]1CC[C@H](c2ccc(N[C@@H]3CCc4c3cccc4C#N)cc2)C1 ZINC001171069033 1050247097 /nfs/dbraw/zinc/24/70/97/1050247097.db2.gz YRQFENITBMUPIN-LAUBAEHRSA-N 1 0 317.436 4.077 20 30 DIEDRO C[N@@H+]1CC[C@@H](c2ccc(N[C@@H]3CCc4c3cccc4C#N)cc2)C1 ZINC001171069032 1050247180 /nfs/dbraw/zinc/24/71/80/1050247180.db2.gz YRQFENITBMUPIN-DYESRHJHSA-N 1 0 317.436 4.077 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)nc1 ZINC000573859752 1050261423 /nfs/dbraw/zinc/26/14/23/1050261423.db2.gz ANUKEPFSPOSCLI-LJQANCHMSA-N 1 0 309.388 4.113 20 30 DIEDRO COc1ccc([C@H]2CCCCCN2Cc2ccncc2C#N)cc1 ZINC000592059108 1050264690 /nfs/dbraw/zinc/26/46/90/1050264690.db2.gz NBPVUHZEFDCMOW-HXUWFJFHSA-N 1 0 321.424 4.079 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccncc1C#N)CC1CCC1 ZINC000592072947 1050267489 /nfs/dbraw/zinc/26/74/89/1050267489.db2.gz SMARUJQOLXNIGP-INIZCTEOSA-N 1 0 305.425 4.317 20 30 DIEDRO N#Cc1coc(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC001171073129 1050267496 /nfs/dbraw/zinc/26/74/96/1050267496.db2.gz ARVPKMVXLZEPDP-ZDUSSCGKSA-N 1 0 321.207 4.105 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592072020 1050267626 /nfs/dbraw/zinc/26/76/26/1050267626.db2.gz FAUZSBJYXJRBAV-VQTJNVASSA-N 1 0 305.425 4.030 20 30 DIEDRO N#Cc1cnccc1C[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000592068141 1050268098 /nfs/dbraw/zinc/26/80/98/1050268098.db2.gz MQYXCNCMBQFCPF-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1ccncc1C#N ZINC000592071613 1050268366 /nfs/dbraw/zinc/26/83/66/1050268366.db2.gz LFBZODIPBXCSOY-ZIAGYGMSSA-N 1 0 313.832 4.231 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCC(CCCC)CC2)CC1 ZINC000592075611 1050269488 /nfs/dbraw/zinc/26/94/88/1050269488.db2.gz QARMJUYPUJRHNC-UHFFFAOYSA-N 1 0 320.521 4.140 20 30 DIEDRO N#Cc1cnccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000592107618 1050269542 /nfs/dbraw/zinc/26/95/42/1050269542.db2.gz MHVMQTYJGJMAJR-NJYVYQBISA-N 1 0 317.436 4.111 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CC2(CCCC2)O1 ZINC000592196370 1050274983 /nfs/dbraw/zinc/27/49/83/1050274983.db2.gz WQMSVOQJMTWDTR-INIZCTEOSA-N 1 0 312.457 4.021 20 30 DIEDRO N#CCOc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000734488086 1050277838 /nfs/dbraw/zinc/27/78/38/1050277838.db2.gz OLYXPEKYXFCSFL-UHFFFAOYSA-N 1 0 324.399 4.140 20 30 DIEDRO C[C@H]1CCC[C@H](CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000734508690 1050278916 /nfs/dbraw/zinc/27/89/16/1050278916.db2.gz BVFQMHJMKDLFLH-ZWKOTPCHSA-N 1 0 313.489 4.342 20 30 DIEDRO C[C@@H]1CCC[C@H](CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000734508688 1050279284 /nfs/dbraw/zinc/27/92/84/1050279284.db2.gz BVFQMHJMKDLFLH-QZTJIDSGSA-N 1 0 313.489 4.342 20 30 DIEDRO COc1cc(C[NH2+]C2(c3cccc(C)c3)CCC2)ccc1C#N ZINC000592375350 1050290163 /nfs/dbraw/zinc/29/01/63/1050290163.db2.gz FNFOEFYCIZTAEB-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC000592186730 1050290767 /nfs/dbraw/zinc/29/07/67/1050290767.db2.gz FGQJCNGBKFIGMN-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(COc3ccc(F)cc3)cc2)C1 ZINC000592395270 1050291739 /nfs/dbraw/zinc/29/17/39/1050291739.db2.gz VJTIPCDJGMNBBA-MJGOQNOKSA-N 1 0 324.399 4.187 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2ccccc2OC)CC1)c1ccc(C#N)cc1 ZINC000592392797 1050292477 /nfs/dbraw/zinc/29/24/77/1050292477.db2.gz AZAVAYIETYRNIO-GOSISDBHSA-N 1 0 306.409 4.297 20 30 DIEDRO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171085066 1050297646 /nfs/dbraw/zinc/29/76/46/1050297646.db2.gz DRXCCWUEVRIVLF-SWLSCSKDSA-N 1 0 323.267 4.476 20 30 DIEDRO SC1CC[NH+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171085357 1050298826 /nfs/dbraw/zinc/29/88/26/1050298826.db2.gz HGBVZYJDJRRPCV-LBPRGKRZSA-N 1 0 316.297 4.245 20 30 DIEDRO C[C@H](c1ccccc1)[NH+]1CCC(/N=C\c2ccccc2O)CC1 ZINC000734749505 1050307469 /nfs/dbraw/zinc/30/74/69/1050307469.db2.gz CUJGIANGHIGGSQ-KQRQPNSISA-N 1 0 308.425 4.037 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc2C1)c1ccc(C#N)cc1 ZINC001171089498 1050308479 /nfs/dbraw/zinc/30/84/79/1050308479.db2.gz AJIQDCIFQPRWSS-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO Cc1cc(F)cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001143619192 1050320765 /nfs/dbraw/zinc/32/07/65/1050320765.db2.gz LKAZHVYFOZRMJZ-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc2C1)c1cccc(C#N)c1 ZINC001171093770 1050320865 /nfs/dbraw/zinc/32/08/65/1050320865.db2.gz IACFEDRUMGWSPM-DJJJIMSYSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@]2(C)CCCc3ccccc32)cc1 ZINC000734844483 1050323717 /nfs/dbraw/zinc/32/37/17/1050323717.db2.gz ZCJULOXYHZGCBR-HRAATJIYSA-N 1 0 320.436 4.319 20 30 DIEDRO C=CC[N@@H+](Cc1ccnc(NC(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001143700643 1050339203 /nfs/dbraw/zinc/33/92/03/1050339203.db2.gz MOGIKDFUWDYNIR-UHFFFAOYSA-N 1 0 319.449 4.215 20 30 DIEDRO N#Cc1oc2ccccc2c1N=C1CCC([NH+]2CCCC2)CC1 ZINC001210707588 1050341736 /nfs/dbraw/zinc/34/17/36/1050341736.db2.gz YXULBIGXNZYHKL-HNNXBMFYSA-N 1 0 307.397 4.249 20 30 DIEDRO Cc1sc(N=C2CCC([NH+]3CCCC3)CC2)c(C#N)c1C ZINC001210705083 1050342013 /nfs/dbraw/zinc/34/20/13/1050342013.db2.gz MEQTVUDBMJMMPW-OAHLLOKOSA-N 1 0 301.459 4.181 20 30 DIEDRO N#Cc1ccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC001210708055 1050342210 /nfs/dbraw/zinc/34/22/10/1050342210.db2.gz HPEGYLMVXBRFEI-MRXNPFEDSA-N 1 0 301.821 4.156 20 30 DIEDRO CN(CCc1cccc(F)c1)Cc1c(Cl)cccc1C#N ZINC001143732906 1050343627 /nfs/dbraw/zinc/34/36/27/1050343627.db2.gz XIEDVNUFSJAFFF-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C[N@H+](CCOc1ccc(C#N)cc1)Cc1csc2ccccc12 ZINC000058591198 1050345135 /nfs/dbraw/zinc/34/51/35/1050345135.db2.gz QPTXGXLQHYVOAK-UHFFFAOYSA-N 1 0 322.433 4.284 20 30 DIEDRO N#Cc1cc(Cl)ccc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210713210 1050345364 /nfs/dbraw/zinc/34/53/64/1050345364.db2.gz CZCAHSSWDNPDLT-INIZCTEOSA-N 1 0 301.821 4.156 20 30 DIEDRO N#Cc1ccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c(F)c1Cl ZINC001210714122 1050346749 /nfs/dbraw/zinc/34/67/49/1050346749.db2.gz RUZVKCFSSYOTDP-CQSZACIVSA-N 1 0 319.811 4.295 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+]C2CCOCC2)c1 ZINC000747854584 1050356279 /nfs/dbraw/zinc/35/62/79/1050356279.db2.gz PTEAKALVVNEZQK-UHFFFAOYSA-N 1 0 305.462 4.304 20 30 DIEDRO CC(C)Oc1ccnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000593032285 1050364024 /nfs/dbraw/zinc/36/40/24/1050364024.db2.gz VFMUZRWRAMACQK-FQEVSTJZSA-N 1 0 323.440 4.394 20 30 DIEDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000592367524 1050364834 /nfs/dbraw/zinc/36/48/34/1050364834.db2.gz RBVSJSPQGFVALI-QEEYODRMSA-N 1 0 306.409 4.053 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055446 1050365496 /nfs/dbraw/zinc/36/54/96/1050365496.db2.gz VHQGVTUHUWAJFY-UHFFFAOYSA-N 1 0 306.347 4.073 20 30 DIEDRO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CCCCC1 ZINC000735308118 1050366189 /nfs/dbraw/zinc/36/61/89/1050366189.db2.gz CERWHIRLWCATBR-UHFFFAOYSA-N 1 0 306.837 4.397 20 30 DIEDRO CC1CCC([N@H+](C)Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735306753 1050367591 /nfs/dbraw/zinc/36/75/91/1050367591.db2.gz SPUSBQRBGXOFTN-UHFFFAOYSA-N 1 0 306.837 4.253 20 30 DIEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735305956 1050368969 /nfs/dbraw/zinc/36/89/69/1050368969.db2.gz FTMWITYVEWPJQY-CZUORRHYSA-N 1 0 306.837 4.253 20 30 DIEDRO CSC1(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCC1 ZINC000574089445 1050371786 /nfs/dbraw/zinc/37/17/86/1050371786.db2.gz GCJJZZVPYHZSJE-IRXDYDNUSA-N 1 0 300.471 4.044 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000735309975 1050372507 /nfs/dbraw/zinc/37/25/07/1050372507.db2.gz XPNOBQKTKCEUCO-MRXNPFEDSA-N 1 0 304.821 4.007 20 30 DIEDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735311715 1050372546 /nfs/dbraw/zinc/37/25/46/1050372546.db2.gz PFPSYJJWUYWWBS-MRXNPFEDSA-N 1 0 306.837 4.253 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000735308343 1050372921 /nfs/dbraw/zinc/37/29/21/1050372921.db2.gz IEQYYIZFNYNDMJ-KRWDZBQOSA-N 1 0 318.848 4.397 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CCCCC1 ZINC000735309805 1050374380 /nfs/dbraw/zinc/37/43/80/1050374380.db2.gz LRASKKVANLMCQX-UHFFFAOYSA-N 1 0 316.832 4.010 20 30 DIEDRO Cc1cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)ccc1C#N ZINC001210810210 1050375572 /nfs/dbraw/zinc/37/55/72/1050375572.db2.gz WDKFSDCZFAJFTR-UHFFFAOYSA-N 1 0 305.425 4.420 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)c1 ZINC000766214430 1050434281 /nfs/dbraw/zinc/43/42/81/1050434281.db2.gz ORRRFIDLCWAART-LESCRADOSA-N 1 0 300.446 4.282 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC(C)(C)CCC#N)c2ccccn2)cc1 ZINC000593711733 1050435063 /nfs/dbraw/zinc/43/50/63/1050435063.db2.gz VHFWJZCNGSVHIC-LJQANCHMSA-N 1 0 323.440 4.099 20 30 DIEDRO C=CCC(C)(C)C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001144072874 1050453996 /nfs/dbraw/zinc/45/39/96/1050453996.db2.gz IZDYINFSMYBYJD-UHFFFAOYSA-N 1 0 300.446 4.037 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000574420604 1050454889 /nfs/dbraw/zinc/45/48/89/1050454889.db2.gz JGZJDJHJVLDBAV-UYAOXDASSA-N 1 0 303.409 4.004 20 30 DIEDRO CSc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC001144083644 1050463578 /nfs/dbraw/zinc/46/35/78/1050463578.db2.gz MLHCWYSRYGRHCE-KRWDZBQOSA-N 1 0 309.438 4.012 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000766224992 1050503851 /nfs/dbraw/zinc/50/38/51/1050503851.db2.gz XMURARSCKYGXGV-GFCCVEGCSA-N 1 0 301.377 4.405 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1 ZINC000783328444 1050484371 /nfs/dbraw/zinc/48/43/71/1050484371.db2.gz BEVCTGQXIOHOOL-BBRMVZONSA-N 1 0 313.363 4.326 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1 ZINC000783328445 1050484819 /nfs/dbraw/zinc/48/48/19/1050484819.db2.gz BEVCTGQXIOHOOL-CJNGLKHVSA-N 1 0 313.363 4.326 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000736629673 1050486222 /nfs/dbraw/zinc/48/62/22/1050486222.db2.gz STMVSTYVTDAFRY-QAPCUYQASA-N 1 0 324.399 4.106 20 30 DIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cn2)cc1C ZINC001144166391 1050488114 /nfs/dbraw/zinc/48/81/14/1050488114.db2.gz CMCQSUYVYFHYNK-FQEVSTJZSA-N 1 0 305.425 4.297 20 30 DIEDRO N#CCCCCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000594255304 1050488437 /nfs/dbraw/zinc/48/84/37/1050488437.db2.gz ASQQGKJAHGYCOH-UHFFFAOYSA-N 1 0 313.445 4.085 20 30 DIEDRO C=CC1(CC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CCCCC1 ZINC001144198169 1050491074 /nfs/dbraw/zinc/49/10/74/1050491074.db2.gz WMMLFMKQLBVWCM-GOSISDBHSA-N 1 0 322.537 4.386 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2c(Cl)cc(C#N)cc2Cl)c1 ZINC001211138143 1050491935 /nfs/dbraw/zinc/49/19/35/1050491935.db2.gz MSBFQVKDGYPPJL-UHFFFAOYSA-N 1 0 306.196 4.328 20 30 DIEDRO C#CCCC[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000766220759 1050492935 /nfs/dbraw/zinc/49/29/35/1050492935.db2.gz CCFQZEZBTPCXRC-NEPJUHHUSA-N 1 0 300.229 4.152 20 30 DIEDRO C=CCCCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844890147 1050515860 /nfs/dbraw/zinc/51/58/60/1050515860.db2.gz ZAUHVMORGDNIID-UHFFFAOYSA-N 1 0 318.486 4.169 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000737803483 1050517227 /nfs/dbraw/zinc/51/72/27/1050517227.db2.gz CJBAIMWMABDVJS-PBHHLJAZSA-N 1 0 320.521 4.426 20 30 DIEDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498528 1050517961 /nfs/dbraw/zinc/51/79/61/1050517961.db2.gz RIHZWMQQFFVQSZ-PKOBYXMFSA-N 1 0 314.473 4.029 20 30 DIEDRO CCOCCC1(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCC1 ZINC000594496978 1050519235 /nfs/dbraw/zinc/51/92/35/1050519235.db2.gz AKTSUHHAIFYUEI-UHFFFAOYSA-N 1 0 314.473 4.174 20 30 DIEDRO CCOCc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594496000 1050519645 /nfs/dbraw/zinc/51/96/45/1050519645.db2.gz WUZWIWJSMDFCQI-UHFFFAOYSA-N 1 0 322.452 4.314 20 30 DIEDRO CSCC1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594506826 1050520329 /nfs/dbraw/zinc/52/03/29/1050520329.db2.gz FEGUZDUUZWYKRQ-UHFFFAOYSA-N 1 0 316.514 4.499 20 30 DIEDRO C#CCCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000766233829 1050520956 /nfs/dbraw/zinc/52/09/56/1050520956.db2.gz QQYQCPUAYMWNGV-FQEVSTJZSA-N 1 0 311.400 4.121 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000594501377 1050521048 /nfs/dbraw/zinc/52/10/48/1050521048.db2.gz ZPIZASGJVQGOAY-KRWDZBQOSA-N 1 0 320.436 4.144 20 30 DIEDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594504414 1050521066 /nfs/dbraw/zinc/52/10/66/1050521066.db2.gz OLBSWPLWQDIUKT-LJQANCHMSA-N 1 0 320.436 4.410 20 30 DIEDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594506563 1050521982 /nfs/dbraw/zinc/52/19/82/1050521982.db2.gz BQEZOHRZEUETLT-HKUYNNGSSA-N 1 0 314.473 4.029 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000594503561 1050522051 /nfs/dbraw/zinc/52/20/51/1050522051.db2.gz ZKOAGTMDAOULTM-LJQANCHMSA-N 1 0 320.436 4.491 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000594507367 1050524059 /nfs/dbraw/zinc/52/40/59/1050524059.db2.gz KUPLKBYONXDJJV-UHFFFAOYSA-N 1 0 306.400 4.401 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](COC)c1ccc(Cl)cc1)c1ccccc1 ZINC000786873948 1050524768 /nfs/dbraw/zinc/52/47/68/1050524768.db2.gz YFIFMNVYFHSEOA-MOPGFXCFSA-N 1 0 313.828 4.382 20 30 DIEDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594510293 1050524680 /nfs/dbraw/zinc/52/46/80/1050524680.db2.gz BMCZFFYDVPMQKL-DLBZAZTESA-N 1 0 302.487 4.252 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4c3cccc4F)CCC2)cc1 ZINC000594512969 1050524716 /nfs/dbraw/zinc/52/47/16/1050524716.db2.gz GARSKLUAVBYSOI-IBGZPJMESA-N 1 0 306.384 4.354 20 30 DIEDRO C#CC[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1 ZINC000786870644 1050524910 /nfs/dbraw/zinc/52/49/10/1050524910.db2.gz KLTWVLYXNBGGFR-CBNMVNINSA-N 1 0 305.421 4.088 20 30 DIEDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594516883 1050525572 /nfs/dbraw/zinc/52/55/72/1050525572.db2.gz HDWIRZAWHORKIQ-AUUYWEPGSA-N 1 0 306.409 4.100 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)COC2 ZINC000594513804 1050525709 /nfs/dbraw/zinc/52/57/09/1050525709.db2.gz HQUNMRJUMPPLTP-OAHLLOKOSA-N 1 0 318.420 4.318 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(F)c1 ZINC000594512765 1050525769 /nfs/dbraw/zinc/52/57/69/1050525769.db2.gz DDLYZCVKZVKUNY-AWEZNQCLSA-N 1 0 324.399 4.436 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(C#N)cc1 ZINC000594516068 1050525891 /nfs/dbraw/zinc/52/58/91/1050525891.db2.gz ANBBDPABEBUGAO-OAHLLOKOSA-N 1 0 301.393 4.160 20 30 DIEDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594510295 1050526351 /nfs/dbraw/zinc/52/63/51/1050526351.db2.gz BMCZFFYDVPMQKL-IAGOWNOFSA-N 1 0 302.487 4.252 20 30 DIEDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594514650 1050526763 /nfs/dbraw/zinc/52/67/63/1050526763.db2.gz YLQHSZAMLQTEQS-IAGOWNOFSA-N 1 0 302.487 4.252 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C)c1ccncc1 ZINC000786910360 1050526931 /nfs/dbraw/zinc/52/69/31/1050526931.db2.gz DTFUEHSHQVAILW-KSSFIOAISA-N 1 0 312.461 4.310 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1O ZINC000594518886 1050527381 /nfs/dbraw/zinc/52/73/81/1050527381.db2.gz QFSAQKPMUOLBTG-CQSZACIVSA-N 1 0 322.408 4.002 20 30 DIEDRO COc1cc(C)ccc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594516701 1050527600 /nfs/dbraw/zinc/52/76/00/1050527600.db2.gz DIGGVUXMMVTGOJ-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594519777 1050528251 /nfs/dbraw/zinc/52/82/51/1050528251.db2.gz LKOGAQTVKBANRV-MJGOQNOKSA-N 1 0 310.441 4.017 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C1CCC(F)(F)CC1 ZINC000594520104 1050528483 /nfs/dbraw/zinc/52/84/83/1050528483.db2.gz YXSCWVYFPNNWMD-PXAZEXFGSA-N 1 0 304.384 4.349 20 30 DIEDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517850 1050528772 /nfs/dbraw/zinc/52/87/72/1050528772.db2.gz MVHHYJPXOCLAIO-OXQOHEQNSA-N 1 0 320.436 4.303 20 30 DIEDRO C[N@H+]1Cc2ccccc2[C@H](Nc2cccc(C(F)F)c2C#N)C1 ZINC000594569930 1050538205 /nfs/dbraw/zinc/53/82/05/1050538205.db2.gz PYAKOWZAAQYWFZ-QGZVFWFLSA-N 1 0 313.351 4.094 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(N(C)C)cc1 ZINC000787025450 1050541381 /nfs/dbraw/zinc/54/13/81/1050541381.db2.gz GTRMOWWZPZQYGF-NHCUHLMSSA-N 1 0 319.452 4.352 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000594609168 1050541702 /nfs/dbraw/zinc/54/17/02/1050541702.db2.gz HAIIEAZFVJXSJK-IBGZPJMESA-N 1 0 319.452 4.466 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000787034807 1050542252 /nfs/dbraw/zinc/54/22/52/1050542252.db2.gz UEIARZIAIVDSPQ-JLTOFOAXSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC2(CC#N)CC2)c2ccc(C)cc2)cc1 ZINC000594702410 1050547291 /nfs/dbraw/zinc/54/72/91/1050547291.db2.gz WHXUYYKZPRKYID-HXUWFJFHSA-N 1 0 320.436 4.377 20 30 DIEDRO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171165176 1050547568 /nfs/dbraw/zinc/54/75/68/1050547568.db2.gz QVLNKJIWVGVMRB-SWLSCSKDSA-N 1 0 323.267 4.476 20 30 DIEDRO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171165177 1050547825 /nfs/dbraw/zinc/54/78/25/1050547825.db2.gz QVLNKJIWVGVMRB-WFASDCNBSA-N 1 0 323.267 4.476 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cccc(C#N)c1 ZINC000594721976 1050550424 /nfs/dbraw/zinc/55/04/24/1050550424.db2.gz NEUMCAXNYAXFPZ-CYBMUJFWSA-N 1 0 310.372 4.089 20 30 DIEDRO Cc1nc(F)ccc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000787096038 1050553363 /nfs/dbraw/zinc/55/33/63/1050553363.db2.gz AMVRMUVBQIDNAZ-UHFFFAOYSA-N 1 0 311.404 4.059 20 30 DIEDRO N#CCC1(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000594911930 1050561172 /nfs/dbraw/zinc/56/11/72/1050561172.db2.gz MDXQKVOXJIPLNW-KRWDZBQOSA-N 1 0 300.471 4.078 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594920829 1050562508 /nfs/dbraw/zinc/56/25/08/1050562508.db2.gz AVJUIAYUFLFEIJ-AWEZNQCLSA-N 1 0 324.399 4.240 20 30 DIEDRO C=CCSCC[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000594919700 1050562597 /nfs/dbraw/zinc/56/25/97/1050562597.db2.gz JUZOTUZIRXEBBF-UHFFFAOYSA-N 1 0 304.484 4.127 20 30 DIEDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594923169 1050563741 /nfs/dbraw/zinc/56/37/41/1050563741.db2.gz XDMNLBFXBJTAQI-LJQANCHMSA-N 1 0 318.420 4.082 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC001211434712 1050564514 /nfs/dbraw/zinc/56/45/14/1050564514.db2.gz CJJRXJCNWWQPHN-UHFFFAOYSA-N 1 0 321.783 4.028 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCc4ccc(F)cc43)cc2)CC1 ZINC000594925248 1050564788 /nfs/dbraw/zinc/56/47/88/1050564788.db2.gz RBOUGVUBNQEHEY-LJQANCHMSA-N 1 0 306.384 4.158 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCCOc4ccccc43)cc2)CC1 ZINC000594926204 1050565841 /nfs/dbraw/zinc/56/58/41/1050565841.db2.gz NNNFHTUJRJBXFN-IBGZPJMESA-N 1 0 318.420 4.245 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(Cl)ccc1F ZINC001171179647 1050569315 /nfs/dbraw/zinc/56/93/15/1050569315.db2.gz VOWWZHYTVPLIGH-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCc1ccc(Cl)cc1 ZINC001171179606 1050569578 /nfs/dbraw/zinc/56/95/78/1050569578.db2.gz UYHFXFYNYPVQIT-OAHLLOKOSA-N 1 0 312.844 4.365 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)cccc1Cl ZINC001171178403 1050569744 /nfs/dbraw/zinc/56/97/44/1050569744.db2.gz GCIHHSQMHNFGGB-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001171178376 1050570163 /nfs/dbraw/zinc/57/01/63/1050570163.db2.gz FWKDIQMACWPFCK-ZDUSSCGKSA-N 1 0 300.352 4.217 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171179963 1050570921 /nfs/dbraw/zinc/57/09/21/1050570921.db2.gz ZXPSCPAJBBHQNM-INIZCTEOSA-N 1 0 308.425 4.066 20 30 DIEDRO CC[C@](C)([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000594979268 1050572997 /nfs/dbraw/zinc/57/29/97/1050572997.db2.gz HPBLEGFPOWYSTM-IBGZPJMESA-N 1 0 316.445 4.046 20 30 DIEDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594934181 1050575291 /nfs/dbraw/zinc/57/52/91/1050575291.db2.gz FHSSQGUNOZNEIR-HNNXBMFYSA-N 1 0 305.425 4.050 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001171179265 1050575725 /nfs/dbraw/zinc/57/57/25/1050575725.db2.gz QBFGOCXFJHGBBP-CABCVRRESA-N 1 0 303.409 4.336 20 30 DIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594938631 1050576255 /nfs/dbraw/zinc/57/62/55/1050576255.db2.gz MOKIRJFNANZNLI-ROUUACIJSA-N 1 0 314.498 4.396 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000594938538 1050576737 /nfs/dbraw/zinc/57/67/37/1050576737.db2.gz MHEMZJAHDCSKLX-OAQYLSRUSA-N 1 0 320.436 4.433 20 30 DIEDRO CCSc1cc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)ccn1 ZINC000594942917 1050577750 /nfs/dbraw/zinc/57/77/50/1050577750.db2.gz ANIWWXWZYYCZON-UHFFFAOYSA-N 1 0 323.465 4.039 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3(Cc4ccccc4)CC3)cc2)CC1 ZINC000594946528 1050577900 /nfs/dbraw/zinc/57/79/00/1050577900.db2.gz POOJJCZDTALAJZ-UHFFFAOYSA-N 1 0 302.421 4.107 20 30 DIEDRO [NH2+]=C(Nc1ccccc1C1CC1)c1ccc2cc(O)ccc2c1 ZINC001171181977 1050578128 /nfs/dbraw/zinc/57/81/28/1050578128.db2.gz GLDSUSRFIHYMKS-UHFFFAOYSA-N 1 0 302.377 4.460 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C)c1 ZINC000594948894 1050578880 /nfs/dbraw/zinc/57/88/80/1050578880.db2.gz BZAGHVTWHHTVBW-OAQYLSRUSA-N 1 0 320.436 4.433 20 30 DIEDRO CC(C)(C)c1ccncc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594943606 1050579007 /nfs/dbraw/zinc/57/90/07/1050579007.db2.gz DRFWQTYBTZDFRJ-UHFFFAOYSA-N 1 0 319.452 4.224 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc2ccncc2s1 ZINC000594952123 1050580735 /nfs/dbraw/zinc/58/07/35/1050580735.db2.gz WFRRHJQUXBIUPX-GOSISDBHSA-N 1 0 319.433 4.335 20 30 DIEDRO Cc1c[nH]c2cccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)c12 ZINC001171182780 1050581061 /nfs/dbraw/zinc/58/10/61/1050581061.db2.gz SLNDKCOEBJYUJZ-UHFFFAOYSA-N 1 0 315.376 4.372 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Cl)cc1F ZINC001171183125 1050582726 /nfs/dbraw/zinc/58/27/26/1050582726.db2.gz BOTQCJJSLXJJME-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)c(Cl)c1F ZINC001171184400 1050583140 /nfs/dbraw/zinc/58/31/40/1050583140.db2.gz MOTLGPFOELCAOC-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171186223 1050584727 /nfs/dbraw/zinc/58/47/27/1050584727.db2.gz UOJRELOMNMHICB-MSOLQXFVSA-N 1 0 322.452 4.163 20 30 DIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCC#N ZINC000595015130 1050585704 /nfs/dbraw/zinc/58/57/04/1050585704.db2.gz YOPXGRBMTGKPDX-OAHLLOKOSA-N 1 0 309.251 4.054 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000739886032 1050589461 /nfs/dbraw/zinc/58/94/61/1050589461.db2.gz WACPEHYOISSNQY-UHFFFAOYSA-N 1 0 308.429 4.057 20 30 DIEDRO COc1ccc(C[NH2+]C2(CC(C)C)CC2)cc1OCCCC#N ZINC000594999623 1050589885 /nfs/dbraw/zinc/58/98/85/1050589885.db2.gz DGYYCLBDBJBNDO-UHFFFAOYSA-N 1 0 316.445 4.046 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)c1cc(F)cc(F)c1 ZINC001171189852 1050589816 /nfs/dbraw/zinc/58/98/16/1050589816.db2.gz NKTBLLJPKCFEQF-CYBMUJFWSA-N 1 0 314.379 4.292 20 30 DIEDRO COc1cccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1C ZINC000594999155 1050590548 /nfs/dbraw/zinc/59/05/48/1050590548.db2.gz OOWZLTCVQQLFCH-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000595055792 1050592034 /nfs/dbraw/zinc/59/20/34/1050592034.db2.gz JUCIWTIZBXODQD-NRFANRHFSA-N 1 0 319.452 4.407 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000595056239 1050592519 /nfs/dbraw/zinc/59/25/19/1050592519.db2.gz SGQLKJAXCMTLIC-KRWDZBQOSA-N 1 0 312.413 4.067 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000595056267 1050593111 /nfs/dbraw/zinc/59/31/11/1050593111.db2.gz TZSUNOQEUPNRQL-IBGZPJMESA-N 1 0 318.420 4.137 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595056232 1050593384 /nfs/dbraw/zinc/59/33/84/1050593384.db2.gz SDBOENVMDFWYEE-ZDUSSCGKSA-N 1 0 313.470 4.340 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000595059136 1050594038 /nfs/dbraw/zinc/59/40/38/1050594038.db2.gz LQXYYWADUGQROF-ZDUSSCGKSA-N 1 0 311.516 4.377 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000595056801 1050594305 /nfs/dbraw/zinc/59/43/05/1050594305.db2.gz WPAWVVHRISFFCI-WOJBJXKFSA-N 1 0 319.452 4.120 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC001171191588 1050594544 /nfs/dbraw/zinc/59/45/44/1050594544.db2.gz BRJYLTUFESNCPX-JLTOFOAXSA-N 1 0 308.400 4.369 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171191745 1050594719 /nfs/dbraw/zinc/59/47/19/1050594719.db2.gz DYGNILHNWHAHLX-HZPDHXFCSA-N 1 0 308.425 4.239 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000595059823 1050594602 /nfs/dbraw/zinc/59/46/02/1050594602.db2.gz PJLMYCRCDMSFCQ-OAHLLOKOSA-N 1 0 315.486 4.141 20 30 DIEDRO C=CCC[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000595061241 1050594752 /nfs/dbraw/zinc/59/47/52/1050594752.db2.gz ZCOFCUBXIPTYDL-KRWDZBQOSA-N 1 0 300.358 4.005 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OC3CC3)c1F)CC2 ZINC000595069000 1050595762 /nfs/dbraw/zinc/59/57/62/1050595762.db2.gz MALFYZWJZNEUAF-GOSISDBHSA-N 1 0 322.383 4.016 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccccc2F)CCC1 ZINC001171192775 1050596478 /nfs/dbraw/zinc/59/64/78/1050596478.db2.gz AYTGTVUINAZAPR-OAHLLOKOSA-N 1 0 308.400 4.297 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000595027869 1050599240 /nfs/dbraw/zinc/59/92/40/1050599240.db2.gz UCXITGDDPXUKJQ-LJQANCHMSA-N 1 0 318.420 4.026 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000595035205 1050600932 /nfs/dbraw/zinc/60/09/32/1050600932.db2.gz HUANKRIRUUIJGU-GXLIZGDTSA-N 1 0 305.487 4.210 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC001144498609 1050602557 /nfs/dbraw/zinc/60/25/57/1050602557.db2.gz UMBKAWWLTNLVQL-UHFFFAOYSA-N 1 0 323.436 4.448 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccn1 ZINC000595050658 1050602862 /nfs/dbraw/zinc/60/28/62/1050602862.db2.gz UAJHLIAMWXNTKQ-QRWLVFNGSA-N 1 0 305.425 4.114 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090488 1050609732 /nfs/dbraw/zinc/60/97/32/1050609732.db2.gz GFWZSBMFOZVNMU-QZTJIDSGSA-N 1 0 311.473 4.480 20 30 DIEDRO CC1(C)[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1(F)F ZINC000595095281 1050614574 /nfs/dbraw/zinc/61/45/74/1050614574.db2.gz VPEJWKCAHSJZFX-UPTPFMHGSA-N 1 0 318.411 4.271 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(Cc2ccc(F)cc2)CCC1 ZINC001171197872 1050618906 /nfs/dbraw/zinc/61/89/06/1050618906.db2.gz DZHJNEAGTOQLOU-MRXNPFEDSA-N 1 0 322.427 4.383 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001171198005 1050619952 /nfs/dbraw/zinc/61/99/52/1050619952.db2.gz GUCURBNGNQSFBS-BBRMVZONSA-N 1 0 304.384 4.047 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(Cc2ccccc2F)CC1 ZINC001171199113 1050620868 /nfs/dbraw/zinc/62/08/68/1050620868.db2.gz VEJDOWPRSYSOGQ-INIZCTEOSA-N 1 0 322.427 4.241 20 30 DIEDRO C#Cc1ccc(C[N@H+](C)Cc2ccc(Br)cc2)cc1 ZINC001144573970 1050622235 /nfs/dbraw/zinc/62/22/35/1050622235.db2.gz WKHYNECWXNPZSP-UHFFFAOYSA-N 1 0 314.226 4.062 20 30 DIEDRO CC[C@H]([NH2+]CCc1ccc(C)c(OC)c1)c1ccc(C#N)cc1 ZINC000574995382 1050626932 /nfs/dbraw/zinc/62/69/32/1050626932.db2.gz UHOKSHZQPKLMIE-IBGZPJMESA-N 1 0 308.425 4.159 20 30 DIEDRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171201795 1050631145 /nfs/dbraw/zinc/63/11/45/1050631145.db2.gz RBIPQAPWZJGYSD-CVEARBPZSA-N 1 0 308.425 4.239 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000845926525 1050634656 /nfs/dbraw/zinc/63/46/56/1050634656.db2.gz RLUZJUSAOWPBBC-ZMSDIMECSA-N 1 0 314.429 4.039 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H](C)CCCC(C)C)CC2 ZINC001170080745 1050635808 /nfs/dbraw/zinc/63/58/08/1050635808.db2.gz LURMEAGVVSETJD-AZUAARDMSA-N 1 0 320.521 4.234 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000593017765 1050635882 /nfs/dbraw/zinc/63/58/82/1050635882.db2.gz AKKQUWKGRLGRGE-SFHVURJKSA-N 1 0 321.380 4.097 20 30 DIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000740887574 1050636319 /nfs/dbraw/zinc/63/63/19/1050636319.db2.gz VZNYCZFKDZCYHN-GOSISDBHSA-N 1 0 300.446 4.380 20 30 DIEDRO CCc1cccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)c1 ZINC000845937670 1050636885 /nfs/dbraw/zinc/63/68/85/1050636885.db2.gz NFBIHTWOJZENKZ-LJQANCHMSA-N 1 0 308.425 4.220 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000595503897 1050636916 /nfs/dbraw/zinc/63/69/16/1050636916.db2.gz YGXRPBHMBJSVLN-RBUKOAKNSA-N 1 0 300.446 4.216 20 30 DIEDRO CCCCCCC[NH2+]C1(c2ccc(OC)cc2)CCOCC1 ZINC000740878132 1050636915 /nfs/dbraw/zinc/63/69/15/1050636915.db2.gz WYSSZUMGHASPRX-UHFFFAOYSA-N 1 0 305.462 4.261 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000845941319 1050637312 /nfs/dbraw/zinc/63/73/12/1050637312.db2.gz LEPUJVUBTLNNEX-VXLLPVPCSA-N 1 0 322.493 4.157 20 30 DIEDRO CSc1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000595563592 1050639992 /nfs/dbraw/zinc/63/99/92/1050639992.db2.gz VSVZGOKDEYIZLK-UHFFFAOYSA-N 1 0 308.450 4.449 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595551308 1050643011 /nfs/dbraw/zinc/64/30/11/1050643011.db2.gz IJMWROCWBBKCSY-UHFFFAOYSA-N 1 0 324.472 4.147 20 30 DIEDRO C=CCCC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000575207575 1050646879 /nfs/dbraw/zinc/64/68/79/1050646879.db2.gz PZGJHXKSEUXVJQ-UHFFFAOYSA-N 1 0 303.837 4.198 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]c2cc(Br)cnc12)C(C)(C)C ZINC001144706964 1050662690 /nfs/dbraw/zinc/66/26/90/1050662690.db2.gz VBYODLDCGLHSSS-UHFFFAOYSA-N 1 0 322.250 4.112 20 30 DIEDRO CCC[NH+](CCC)c1ccc(NCc2nc(C#N)cs2)cc1 ZINC000846057390 1050649577 /nfs/dbraw/zinc/64/95/77/1050649577.db2.gz LFNCSNAXIAKATC-UHFFFAOYSA-N 1 0 314.458 4.253 20 30 DIEDRO C[C@@H](c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1)C(F)(F)F ZINC000595623973 1050653187 /nfs/dbraw/zinc/65/31/87/1050653187.db2.gz ZUTGHANFRBJMLZ-KBPBESRZSA-N 1 0 310.363 4.478 20 30 DIEDRO Cc1nc(C(C)C)ccc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595632649 1050655710 /nfs/dbraw/zinc/65/57/10/1050655710.db2.gz IFFMKILQWYCJNH-UHFFFAOYSA-N 1 0 307.441 4.410 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1F ZINC000846044834 1050657145 /nfs/dbraw/zinc/65/71/45/1050657145.db2.gz KNLDGOFMEHXHKV-LIRRHRJNSA-N 1 0 312.388 4.357 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1F ZINC000846044831 1050658219 /nfs/dbraw/zinc/65/82/19/1050658219.db2.gz KNLDGOFMEHXHKV-KUHUBIRLSA-N 1 0 312.388 4.357 20 30 DIEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000595615823 1050658440 /nfs/dbraw/zinc/65/84/40/1050658440.db2.gz NZAGPNSCFWGTNZ-KRWDZBQOSA-N 1 0 315.420 4.351 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1F)C(C)C ZINC000595695500 1050661035 /nfs/dbraw/zinc/66/10/35/1050661035.db2.gz YZHNKJDUNCIRES-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO N#Cc1ccc(CN2CC3(CCCC3)[C@@H]2c2ccco2)c(F)c1 ZINC000595675294 1050661330 /nfs/dbraw/zinc/66/13/30/1050661330.db2.gz MAJNDIBLVSHUHP-SFHVURJKSA-N 1 0 310.372 4.408 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccccc3[C@@H](C)C2)cc1 ZINC000846066838 1050663342 /nfs/dbraw/zinc/66/33/42/1050663342.db2.gz HKGYJZHUEWQSMN-DLBZAZTESA-N 1 0 320.436 4.139 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000593112015 1050665700 /nfs/dbraw/zinc/66/57/00/1050665700.db2.gz MPHLAWZMOKYSTN-UHFFFAOYSA-N 1 0 316.326 4.356 20 30 DIEDRO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000595816501 1050669942 /nfs/dbraw/zinc/66/99/42/1050669942.db2.gz XUBATBSCENDKRB-INIZCTEOSA-N 1 0 312.457 4.021 20 30 DIEDRO C[C@]1(C#N)CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000595839641 1050671306 /nfs/dbraw/zinc/67/13/06/1050671306.db2.gz KOYBFBHIPKGIJN-ZENLRNHISA-N 1 0 319.246 4.088 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846171260 1050680698 /nfs/dbraw/zinc/68/06/98/1050680698.db2.gz FMCXMFXFLRWOQN-RDJZCZTQSA-N 1 0 311.425 4.239 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC2(CO)CCC2)cc1 ZINC000846209136 1050686232 /nfs/dbraw/zinc/68/62/32/1050686232.db2.gz ATUGBKZRXPLAFP-OAHLLOKOSA-N 1 0 323.864 4.021 20 30 DIEDRO Cc1ccc2c(C)cc(N=NC3CC[N@H+](C)[C@H](C)C3)nc2c1C ZINC000741454626 1050687286 /nfs/dbraw/zinc/68/72/86/1050687286.db2.gz GTRDHMWPMKSUJF-CQSZACIVSA-N 1 0 310.445 4.042 20 30 DIEDRO C=CCC[C@H](C)OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000772719883 1050687551 /nfs/dbraw/zinc/68/75/51/1050687551.db2.gz YGEWYKZMIMLXGP-KRWDZBQOSA-N 1 0 315.457 4.187 20 30 DIEDRO C[C@]1(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@@]1(F)Cl ZINC000846186673 1050690120 /nfs/dbraw/zinc/69/01/20/1050690120.db2.gz ZIHDHYRAKOAZEJ-ULQDDVLXSA-N 1 0 306.812 4.230 20 30 DIEDRO C[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc(C#N)c(F)c1 ZINC000846215178 1050694177 /nfs/dbraw/zinc/69/41/77/1050694177.db2.gz MTFBVIPTSCGEIU-GXFFZTMASA-N 1 0 315.219 4.322 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000788520407 1050696639 /nfs/dbraw/zinc/69/66/39/1050696639.db2.gz VNPZSXBNAHLKGW-GOSISDBHSA-N 1 0 319.408 4.139 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001171220527 1050708030 /nfs/dbraw/zinc/70/80/30/1050708030.db2.gz BGQDLNBNWXEOFF-HKOIMECGSA-N 1 0 308.469 4.390 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001171220652 1050711953 /nfs/dbraw/zinc/71/19/53/1050711953.db2.gz DCAZCJCZUSSBPH-UWJYYQICSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001171224029 1050713283 /nfs/dbraw/zinc/71/32/83/1050713283.db2.gz OTBKZBXPIXUAEX-KXBFYZLASA-N 1 0 308.400 4.118 20 30 DIEDRO C[NH2+]Cc1cn([C@H](C)Cc2cccc(C#N)c2)c2ccc(C)cc12 ZINC001171222998 1050714442 /nfs/dbraw/zinc/71/44/42/1050714442.db2.gz LBIYIWMTRLADHW-MRXNPFEDSA-N 1 0 317.436 4.345 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171224745 1050717710 /nfs/dbraw/zinc/71/77/10/1050717710.db2.gz UZSJAQJLCSYTQY-CVEARBPZSA-N 1 0 308.425 4.191 20 30 DIEDRO CC(C)[N@H+](CC(=O)c1ccccc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171224865 1050718731 /nfs/dbraw/zinc/71/87/31/1050718731.db2.gz VJPPMQHLIYYRNL-KRWDZBQOSA-N 1 0 320.436 4.083 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171223637 1050719231 /nfs/dbraw/zinc/71/92/31/1050719231.db2.gz NNTVGOMRCHWLLQ-HRAATJIYSA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001171227803 1050722021 /nfs/dbraw/zinc/72/20/21/1050722021.db2.gz AOBHWBVSKIJVDZ-OAHLLOKOSA-N 1 0 316.404 4.294 20 30 DIEDRO CC[N@H+](CCc1ccc(OC)cc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171231532 1050727694 /nfs/dbraw/zinc/72/76/94/1050727694.db2.gz KIJKACXLLUXXSI-QGZVFWFLSA-N 1 0 322.452 4.062 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000772952548 1050744328 /nfs/dbraw/zinc/74/43/28/1050744328.db2.gz HRBWFCLBXWKIDM-INIZCTEOSA-N 1 0 304.503 4.247 20 30 DIEDRO N#Cc1c(NCC2CC[NH+](CC3CC3)CC2)cccc1C(F)F ZINC000596564495 1050744923 /nfs/dbraw/zinc/74/49/23/1050744923.db2.gz ZVPSGBIJRCRYCR-UHFFFAOYSA-N 1 0 319.399 4.030 20 30 DIEDRO CC[N@H+](Cc1cnc(Cl)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000846780238 1050751807 /nfs/dbraw/zinc/75/18/07/1050751807.db2.gz QBCAIUZNJHIOJM-GFCCVEGCSA-N 1 0 317.795 4.329 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC000788985607 1050771438 /nfs/dbraw/zinc/77/14/38/1050771438.db2.gz UMJYCJXPXMEOBY-IBGZPJMESA-N 1 0 324.399 4.218 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)c1ccc(OCC#N)cc1 ZINC000788990040 1050773684 /nfs/dbraw/zinc/77/36/84/1050773684.db2.gz ZPSJJXBQESMWQT-KBPBESRZSA-N 1 0 322.399 4.454 20 30 DIEDRO C[C@H](CCC1CCCCC1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772957560 1050774054 /nfs/dbraw/zinc/77/40/54/1050774054.db2.gz ADAIZIFCJCLFBI-MRXNPFEDSA-N 1 0 300.446 4.428 20 30 DIEDRO CCC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772957575 1050774632 /nfs/dbraw/zinc/77/46/32/1050774632.db2.gz AEVKGJFYLZJMGR-HXUWFJFHSA-N 1 0 322.452 4.480 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C)cc32)cc1 ZINC000772958522 1050786211 /nfs/dbraw/zinc/78/62/11/1050786211.db2.gz HDPOQHUJSOHEHV-HRAATJIYSA-N 1 0 305.421 4.345 20 30 DIEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccc(F)c(F)c1 ZINC000596980015 1050791236 /nfs/dbraw/zinc/79/12/36/1050791236.db2.gz SAGKEQVKTOKTAM-UHFFFAOYSA-N 1 0 312.363 4.152 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000596981169 1050791938 /nfs/dbraw/zinc/79/19/38/1050791938.db2.gz IXBKQLBBSRIJND-LJQANCHMSA-N 1 0 302.421 4.231 20 30 DIEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015450 1050795743 /nfs/dbraw/zinc/79/57/43/1050795743.db2.gz JFVOPIHGLAPCON-INIZCTEOSA-N 1 0 320.436 4.010 20 30 DIEDRO N#CC1(c2ccc(C[N@H+](C[C@@H]3CCCO3)C3CCCC3)cc2)CC1 ZINC000597015163 1050799819 /nfs/dbraw/zinc/79/98/19/1050799819.db2.gz WKULBPIJWGMQIG-FQEVSTJZSA-N 1 0 324.468 4.165 20 30 DIEDRO CCN(C)c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000847061516 1050806511 /nfs/dbraw/zinc/80/65/11/1050806511.db2.gz VNMAPXBJTFDERT-UHFFFAOYSA-N 1 0 319.452 4.183 20 30 DIEDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597084514 1050806536 /nfs/dbraw/zinc/80/65/36/1050806536.db2.gz VYVCTVMKOCHOHW-OXJNMPFZSA-N 1 0 317.436 4.220 20 30 DIEDRO Cc1ncsc1-c1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC000597084120 1050806809 /nfs/dbraw/zinc/80/68/09/1050806809.db2.gz YZSMFCGSFBNLBQ-UHFFFAOYSA-N 1 0 311.454 4.244 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)CC2 ZINC000772960229 1050808100 /nfs/dbraw/zinc/80/81/00/1050808100.db2.gz QHKSFPBKIMDFNT-QRWLVFNGSA-N 1 0 306.409 4.236 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001171267917 1050813058 /nfs/dbraw/zinc/81/30/58/1050813058.db2.gz UKPGVCAKIAQBQO-GOSISDBHSA-N 1 0 308.400 4.465 20 30 DIEDRO CN(c1ccc(Nc2c(O)cccc2C#N)cn1)C1CCCCC1 ZINC001212615369 1050816635 /nfs/dbraw/zinc/81/66/35/1050816635.db2.gz WYKPUEZLGVSRAZ-UHFFFAOYSA-N 1 0 322.412 4.171 20 30 DIEDRO CC[N@H+](Cc1cc(C)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477497 1050817278 /nfs/dbraw/zinc/81/72/78/1050817278.db2.gz XCOYNOVCCFQWOH-MRXNPFEDSA-N 1 0 308.425 4.458 20 30 DIEDRO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000597174565 1050817479 /nfs/dbraw/zinc/81/74/79/1050817479.db2.gz RAXDXIFTHYAYDO-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO CC[N@H+](CCOc1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477588 1050818161 /nfs/dbraw/zinc/81/81/61/1050818161.db2.gz DTYMVPGYMKFVGY-OAHLLOKOSA-N 1 0 312.388 4.159 20 30 DIEDRO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](CC#N)C3)s2)cc1 ZINC000597173948 1050818585 /nfs/dbraw/zinc/81/85/85/1050818585.db2.gz OIYMJIDRIUQRBB-HNNXBMFYSA-N 1 0 311.454 4.244 20 30 DIEDRO N#Cc1ccc(CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000597176029 1050820484 /nfs/dbraw/zinc/82/04/84/1050820484.db2.gz CTUOOBIIOGQPER-UHFFFAOYSA-N 1 0 320.436 4.122 20 30 DIEDRO N#CC[C@@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000597178169 1050820573 /nfs/dbraw/zinc/82/05/73/1050820573.db2.gz WASDYLWQXCFMIM-SFHVURJKSA-N 1 0 304.437 4.444 20 30 DIEDRO C[C@@H](C[N@@H+]1CCC[C@@H](CC#N)C1)c1cccc(Br)c1 ZINC000597176252 1050821112 /nfs/dbraw/zinc/82/11/12/1050821112.db2.gz GXTJABRHYHDTFB-KBPBESRZSA-N 1 0 321.262 4.178 20 30 DIEDRO COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)cc1C#N ZINC000742366873 1050823242 /nfs/dbraw/zinc/82/32/42/1050823242.db2.gz YYDYUYVSDVWGEM-HXUWFJFHSA-N 1 0 306.409 4.116 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1C#N ZINC000742367723 1050823254 /nfs/dbraw/zinc/82/32/54/1050823254.db2.gz JXMYOIYPSCQZMY-UHFFFAOYSA-N 1 0 318.376 4.117 20 30 DIEDRO CC(C)c1[nH+]c(CNCC2(C#N)CCCCC2)c2ccccn21 ZINC000597215505 1050823903 /nfs/dbraw/zinc/82/39/03/1050823903.db2.gz DJBKBDFMYAXZLD-UHFFFAOYSA-N 1 0 310.445 4.021 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C2CC(c3ccccc3C)C2)cc1 ZINC000742385059 1050827997 /nfs/dbraw/zinc/82/79/97/1050827997.db2.gz QZXBEMCAHDVGFX-UHFFFAOYSA-N 1 0 305.421 4.043 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)cc2)CC1 ZINC000597225218 1050830378 /nfs/dbraw/zinc/83/03/78/1050830378.db2.gz PYAWBQVLXKDBIG-UYAOXDASSA-N 1 0 324.468 4.023 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)cc1C#N ZINC000742369811 1050832080 /nfs/dbraw/zinc/83/20/80/1050832080.db2.gz VKLXHDYUMGTLCB-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](c2ccccc2C)C2CC2)cc1C#N ZINC000742370727 1050833347 /nfs/dbraw/zinc/83/33/47/1050833347.db2.gz KUHPSFMTTVEOEW-HXUWFJFHSA-N 1 0 306.409 4.116 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)C(C)(C)c1ccccc1 ZINC000742372648 1050834875 /nfs/dbraw/zinc/83/48/75/1050834875.db2.gz RNUSYBNOBFXNLA-FQEVSTJZSA-N 1 0 322.452 4.413 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)cc1C#N ZINC000742378980 1050837099 /nfs/dbraw/zinc/83/70/99/1050837099.db2.gz QEOUJYMBTUSHDC-CQSZACIVSA-N 1 0 312.388 4.174 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000742375468 1050838384 /nfs/dbraw/zinc/83/83/84/1050838384.db2.gz ORNFTMUSDVLGMS-UXHICEINSA-N 1 0 311.473 4.095 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)[C@@H]1CC1(C)C ZINC001171286676 1050843496 /nfs/dbraw/zinc/84/34/96/1050843496.db2.gz JGRDWCFCMXOWAC-LSDHHAIUSA-N 1 0 321.262 4.235 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)[C@H]1CC1(C)C ZINC001171286675 1050844379 /nfs/dbraw/zinc/84/43/79/1050844379.db2.gz JGRDWCFCMXOWAC-HUUCEWRRSA-N 1 0 321.262 4.235 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000669617909 1050875840 /nfs/dbraw/zinc/87/58/40/1050875840.db2.gz XRZYFXJBWPLETJ-GOEBONIOSA-N 1 0 313.363 4.134 20 30 DIEDRO C=CCC[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccco1 ZINC000789744318 1050881655 /nfs/dbraw/zinc/88/16/55/1050881655.db2.gz SEQONPWFPPKHIK-HKUYNNGSSA-N 1 0 311.425 4.390 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001171307354 1050884054 /nfs/dbraw/zinc/88/40/54/1050884054.db2.gz MUNIURCZNLXECR-HNNXBMFYSA-N 1 0 308.263 4.422 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001171309314 1050885835 /nfs/dbraw/zinc/88/58/35/1050885835.db2.gz XKQDFAYDBRFLJU-OAHLLOKOSA-N 1 0 308.263 4.422 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3c2cccc3C)c1 ZINC000772983571 1050896272 /nfs/dbraw/zinc/89/62/72/1050896272.db2.gz KZWNPOMJUWCJNK-UTKZUKDTSA-N 1 0 320.436 4.453 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2coc3ccccc23)cc1 ZINC000772985756 1050904567 /nfs/dbraw/zinc/90/45/67/1050904567.db2.gz YDTKPRHACTVXNZ-OAHLLOKOSA-N 1 0 305.377 4.296 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3cc(C)ccc32)c1 ZINC000772986041 1050918715 /nfs/dbraw/zinc/91/87/15/1050918715.db2.gz ZDHVWHWGSHVUHR-RXVVDRJESA-N 1 0 320.436 4.453 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000772985967 1050920057 /nfs/dbraw/zinc/92/00/57/1050920057.db2.gz VTFVXZREEQMWEF-FPDPHYFHSA-N 1 0 320.436 4.391 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000772987566 1050921930 /nfs/dbraw/zinc/92/19/30/1050921930.db2.gz KOYVNJCAYNQQOL-KRWDZBQOSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000772987969 1050927279 /nfs/dbraw/zinc/92/72/79/1050927279.db2.gz NJUHMKQZAJPUPE-MRXNPFEDSA-N 1 0 316.404 4.098 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000772988964 1050933523 /nfs/dbraw/zinc/93/35/23/1050933523.db2.gz VBNQLOMDKXXJCG-FQEVSTJZSA-N 1 0 323.436 4.338 20 30 DIEDRO C=CCCC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000790483541 1050963726 /nfs/dbraw/zinc/96/37/26/1050963726.db2.gz HYUCDSKMDCYDSF-UHFFFAOYSA-N 1 0 311.248 4.115 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccc(C#N)cc1 ZINC001171338983 1050975895 /nfs/dbraw/zinc/97/58/95/1050975895.db2.gz YIGNWLFULGZBSA-PXAZEXFGSA-N 1 0 312.363 4.045 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1cccc(C#N)c1 ZINC001171339375 1050977370 /nfs/dbraw/zinc/97/73/70/1050977370.db2.gz FLFNHEXOWPTDNV-YVEFUNNKSA-N 1 0 312.363 4.045 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001171368836 1051019698 /nfs/dbraw/zinc/01/96/98/1051019698.db2.gz JVLQWAXNJKIXOB-MAUKXSAKSA-N 1 0 323.440 4.244 20 30 DIEDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCOc2ccccc2C#N)C1 ZINC001170147607 1051022566 /nfs/dbraw/zinc/02/25/66/1051022566.db2.gz ABGGWULDPXQWDH-PXNSSMCTSA-N 1 0 320.436 4.410 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000743477395 1051033292 /nfs/dbraw/zinc/03/32/92/1051033292.db2.gz ROIOSTZPUJYZEG-BEFAXECRSA-N 1 0 319.408 4.090 20 30 DIEDRO C#CCCCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000773043471 1051034495 /nfs/dbraw/zinc/03/44/95/1051034495.db2.gz ZKLUDZMDDHKXLQ-OAHLLOKOSA-N 1 0 322.246 4.056 20 30 DIEDRO COc1cccc2cc(C[NH2+][C@@H](C)c3cccc(C#N)c3)oc21 ZINC000743495498 1051038788 /nfs/dbraw/zinc/03/87/88/1051038788.db2.gz GOJVKGGFJBQVJD-ZDUSSCGKSA-N 1 0 306.365 4.164 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1cccc(C#N)c1 ZINC000743495674 1051039785 /nfs/dbraw/zinc/03/97/85/1051039785.db2.gz HQTWXRHELXEMGL-LLVKDONJSA-N 1 0 322.380 4.458 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773058459 1051043555 /nfs/dbraw/zinc/04/35/55/1051043555.db2.gz HUDPLZHVGUDGDC-MRXNPFEDSA-N 1 0 320.452 4.059 20 30 DIEDRO CCc1ccc([C@H](CC)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000773075902 1051054177 /nfs/dbraw/zinc/05/41/77/1051054177.db2.gz LKYRAXMJYQANGO-IBGZPJMESA-N 1 0 308.425 4.370 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000773081375 1051057069 /nfs/dbraw/zinc/05/70/69/1051057069.db2.gz QTSXRXQFIINBAN-OALUTQOASA-N 1 0 315.457 4.012 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccc(F)n2)cc1 ZINC000773091391 1051058386 /nfs/dbraw/zinc/05/83/86/1051058386.db2.gz WVNMIUQRUWAOQR-CYBMUJFWSA-N 1 0 320.795 4.203 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000773103876 1051063396 /nfs/dbraw/zinc/06/33/96/1051063396.db2.gz CHSFUWRYRRFWKC-KXBFYZLASA-N 1 0 308.381 4.318 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000773115166 1051065107 /nfs/dbraw/zinc/06/51/07/1051065107.db2.gz MOBGTRBWHGOWNQ-QIJUGHKUSA-N 1 0 318.464 4.176 20 30 DIEDRO C#CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000773117237 1051066452 /nfs/dbraw/zinc/06/64/52/1051066452.db2.gz UJMZWBJEKKKKNS-BWAGFHJFSA-N 1 0 324.512 4.384 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000773117761 1051067115 /nfs/dbraw/zinc/06/71/15/1051067115.db2.gz WHEBOHYHMRNZCC-MOPGFXCFSA-N 1 0 308.381 4.400 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000773117006 1051067591 /nfs/dbraw/zinc/06/75/91/1051067591.db2.gz SSRXSHWYEJWMMS-UTKZUKDTSA-N 1 0 315.420 4.288 20 30 DIEDRO C#CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000773117240 1051067764 /nfs/dbraw/zinc/06/77/64/1051067764.db2.gz UJMZWBJEKKKKNS-QIJUGHKUSA-N 1 0 324.512 4.384 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000773118375 1051069509 /nfs/dbraw/zinc/06/95/09/1051069509.db2.gz ZDQQRGMIDUUBFS-LAUBAEHRSA-N 1 0 315.420 4.288 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000773118379 1051069778 /nfs/dbraw/zinc/06/97/78/1051069778.db2.gz ZDQQRGMIDUUBFS-UTKZUKDTSA-N 1 0 315.420 4.288 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400753345 1051072742 /nfs/dbraw/zinc/07/27/42/1051072742.db2.gz WGCMDQRCOGNUQI-HOTGVXAUSA-N 1 0 324.509 4.356 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743854961 1051076463 /nfs/dbraw/zinc/07/64/63/1051076463.db2.gz VMKUAAPLQBUKGH-QRWLVFNGSA-N 1 0 324.399 4.311 20 30 DIEDRO N#Cc1ccc(F)c(C[NH+]2CCC(c3cccc(F)c3)CC2)c1 ZINC000752094794 1051113286 /nfs/dbraw/zinc/11/32/86/1051113286.db2.gz VKABXWIKIHHLJA-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NC(C)(C)CC(C)=O)cc1 ZINC001171502603 1051155960 /nfs/dbraw/zinc/15/59/60/1051155960.db2.gz LQDMBVDMBOADHX-GOSISDBHSA-N 1 0 300.446 4.179 20 30 DIEDRO Cc1cccc2c1CC[C@H]([N@H+](CCC#N)Cc1ccccc1)C2 ZINC001171564201 1051168724 /nfs/dbraw/zinc/16/87/24/1051168724.db2.gz VHPFZISRWSADIX-FQEVSTJZSA-N 1 0 304.437 4.268 20 30 DIEDRO CC(C)(C)OC(=O)CC1([NH2+]CCCC(C)(C)C#N)CCCCC1 ZINC001171572296 1051170220 /nfs/dbraw/zinc/17/02/20/1051170220.db2.gz GGDRPDWHJLYFCW-UHFFFAOYSA-N 1 0 322.493 4.341 20 30 DIEDRO Cc1ccc(CC[C@@H](C)NC(=[NH2+])c2ccc3ccccc3n2)cc1 ZINC001171663588 1051186000 /nfs/dbraw/zinc/18/60/00/1051186000.db2.gz NKTDXQMXVGAHOI-MRXNPFEDSA-N 1 0 317.436 4.270 20 30 DIEDRO CC(C)([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccnc1 ZINC001170355592 1051187547 /nfs/dbraw/zinc/18/75/47/1051187547.db2.gz LAARRFSGACERHU-UHFFFAOYSA-N 1 0 319.452 4.310 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2(c3ccncc3)CC2)CC1 ZINC001170362217 1051191607 /nfs/dbraw/zinc/19/16/07/1051191607.db2.gz PYIQNHRSKHYVFO-UHFFFAOYSA-N 1 0 317.436 4.064 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3ncccc32)CC1 ZINC001170364569 1051193486 /nfs/dbraw/zinc/19/34/86/1051193486.db2.gz ADIUKFDWOPEQIO-TWMPVWRBSA-N 1 0 317.436 4.063 20 30 DIEDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001170387234 1051195092 /nfs/dbraw/zinc/19/50/92/1051195092.db2.gz SBGIQQIVFSAEFR-ROUUACIJSA-N 1 0 314.473 4.169 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH+]2CC(c3ccccc3)C2)CC1 ZINC001170395457 1051197935 /nfs/dbraw/zinc/19/79/35/1051197935.db2.gz LOHLXOHXHWTVFK-UHFFFAOYSA-N 1 0 316.448 4.490 20 30 DIEDRO C[C@@]1(F)CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1F ZINC001170379165 1051198924 /nfs/dbraw/zinc/19/89/24/1051198924.db2.gz RVYIJYVJSOETSG-CXUOOODFSA-N 1 0 318.411 4.163 20 30 DIEDRO CCCCCCCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000745152900 1051228428 /nfs/dbraw/zinc/22/84/28/1051228428.db2.gz BWYCCGVBSTXJLS-UHFFFAOYSA-N 1 0 308.510 4.118 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171857551 1051233142 /nfs/dbraw/zinc/23/31/42/1051233142.db2.gz HJRXHJBJPJIULY-INIZCTEOSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001171847444 1051233551 /nfs/dbraw/zinc/23/35/51/1051233551.db2.gz LDTYBWVJJSQNSO-HNNXBMFYSA-N 1 0 313.363 4.416 20 30 DIEDRO Cc1ccncc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000792988542 1051235110 /nfs/dbraw/zinc/23/51/10/1051235110.db2.gz DWWMRMKMFCRJIS-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)cc1 ZINC000747096106 1051238901 /nfs/dbraw/zinc/23/89/01/1051238901.db2.gz WEPVBRVZWGHMJS-HNNXBMFYSA-N 1 0 309.409 4.037 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001171920824 1051240403 /nfs/dbraw/zinc/24/04/03/1051240403.db2.gz OCIZQRJPUOOWDS-OCCSQVGLSA-N 1 0 309.356 4.233 20 30 DIEDRO C#CC(CC)(CC)[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171962856 1051246073 /nfs/dbraw/zinc/24/60/73/1051246073.db2.gz FJLQYNZWQRQXQO-IBGZPJMESA-N 1 0 312.501 4.211 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001171971861 1051262096 /nfs/dbraw/zinc/26/20/96/1051262096.db2.gz APOJZACIVFSZEY-ZFWWWQNUSA-N 1 0 310.363 4.262 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001171973630 1051265717 /nfs/dbraw/zinc/26/57/17/1051265717.db2.gz LVGBQFAORDBXIO-DZGCQCFKSA-N 1 0 310.363 4.262 20 30 DIEDRO CCC[C@](C)(C#N)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980155 1051268026 /nfs/dbraw/zinc/26/80/26/1051268026.db2.gz PNPNEEZXMRXPEB-AZUAARDMSA-N 1 0 313.489 4.102 20 30 DIEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172061254 1051273405 /nfs/dbraw/zinc/27/34/05/1051273405.db2.gz UQPFEUJKTGSRBZ-MRXNPFEDSA-N 1 0 322.493 4.255 20 30 DIEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172050323 1051274710 /nfs/dbraw/zinc/27/47/10/1051274710.db2.gz UUNXYHIZPYXDIW-MRXNPFEDSA-N 1 0 322.493 4.255 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000793308110 1051277262 /nfs/dbraw/zinc/27/72/62/1051277262.db2.gz FJSOCROYCWPQSP-VBKZILBWSA-N 1 0 324.399 4.284 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000793308115 1051277597 /nfs/dbraw/zinc/27/75/97/1051277597.db2.gz FJSOCROYCWPQSP-XOBRGWDASA-N 1 0 324.399 4.284 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172083812 1051278651 /nfs/dbraw/zinc/27/86/51/1051278651.db2.gz RVMDJUKFNVMFAS-WKCHPHFGSA-N 1 0 312.501 4.470 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172083809 1051280351 /nfs/dbraw/zinc/28/03/51/1051280351.db2.gz RVMDJUKFNVMFAS-AERCQKQUSA-N 1 0 312.501 4.470 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793333648 1051286211 /nfs/dbraw/zinc/28/62/11/1051286211.db2.gz XTABCNMIYHCLLQ-QGZVFWFLSA-N 1 0 322.493 4.278 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)cc1C#N ZINC000793351146 1051291700 /nfs/dbraw/zinc/29/17/00/1051291700.db2.gz GIHNSFADHIDLKH-LPHOPBHVSA-N 1 0 324.399 4.132 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1C#N ZINC000793351144 1051292884 /nfs/dbraw/zinc/29/28/84/1051292884.db2.gz GIHNSFADHIDLKH-APWZRJJASA-N 1 0 324.399 4.132 20 30 DIEDRO C[NH+](C)[C@H](C/N=C/c1c(O)ccc2ccccc21)c1cccs1 ZINC000005290738 1051294106 /nfs/dbraw/zinc/29/41/06/1051294106.db2.gz GLHRFDFUFMGPDO-XNHPLOEXSA-N 1 0 324.449 4.329 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(-n2ccnc2C)nc1 ZINC000793519303 1051305702 /nfs/dbraw/zinc/30/57/02/1051305702.db2.gz BYSDSPFVFDHSRF-MRXNPFEDSA-N 1 0 312.461 4.190 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1O)CCC2 ZINC000746033340 1051308323 /nfs/dbraw/zinc/30/83/23/1051308323.db2.gz ORLOKUNAQAFKKE-UHFFFAOYSA-N 1 0 320.436 4.163 20 30 DIEDRO CC(C)([NH2+][C@@H]1CSc2ccccc2C1)c1ccc(C#N)cc1 ZINC001172186032 1051308538 /nfs/dbraw/zinc/30/85/38/1051308538.db2.gz WICROEVOFAPAET-KRWDZBQOSA-N 1 0 308.450 4.100 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000793525613 1051309716 /nfs/dbraw/zinc/30/97/16/1051309716.db2.gz PDISHRRDYBMGRE-INIZCTEOSA-N 1 0 302.462 4.003 20 30 DIEDRO CCCCCCCCCCC[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172158048 1051314566 /nfs/dbraw/zinc/31/45/66/1051314566.db2.gz ANWIMTCJWOEDCY-ROUUACIJSA-N 1 0 308.510 4.260 20 30 DIEDRO Cc1cnc(C#N)c(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001215711257 1051316669 /nfs/dbraw/zinc/31/66/69/1051316669.db2.gz JXFKBXZDBWQHOQ-UHFFFAOYSA-N 1 0 324.403 4.130 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2sccc2C#N)c1 ZINC001215724855 1051325397 /nfs/dbraw/zinc/32/53/97/1051325397.db2.gz UMEIREZIWSSOOT-UHFFFAOYSA-N 1 0 303.406 4.344 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc2ccccc2c1 ZINC001172302163 1051331629 /nfs/dbraw/zinc/33/16/29/1051331629.db2.gz FKLQWCKPMZNUQR-QGZVFWFLSA-N 1 0 314.432 4.475 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001172301975 1051331641 /nfs/dbraw/zinc/33/16/41/1051331641.db2.gz ZNRYCUICKULZCZ-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001172301662 1051332105 /nfs/dbraw/zinc/33/21/05/1051332105.db2.gz TYKSEGZQHLTUAE-CWTRNNRKSA-N 1 0 312.363 4.045 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC001172302458 1051332351 /nfs/dbraw/zinc/33/23/51/1051332351.db2.gz KBCJNUDWPJLLHT-OAHLLOKOSA-N 1 0 324.855 4.464 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCSCc1ccccc1 ZINC001172303194 1051333011 /nfs/dbraw/zinc/33/30/11/1051333011.db2.gz VXMKITDJVRDOGS-MRXNPFEDSA-N 1 0 310.466 4.012 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001172306682 1051333043 /nfs/dbraw/zinc/33/30/43/1051333043.db2.gz KYEGLDIRPVJTNV-UTKZUKDTSA-N 1 0 304.437 4.054 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)c(F)cc1Cl ZINC001172303303 1051333107 /nfs/dbraw/zinc/33/31/07/1051333107.db2.gz WUQXTOXGRSCKTR-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001172305996 1051333249 /nfs/dbraw/zinc/33/32/49/1051333249.db2.gz HNYJYUIKRPQRHJ-UTKZUKDTSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001172307266 1051333925 /nfs/dbraw/zinc/33/39/25/1051333925.db2.gz NMKVMXLXTVDWOG-FOIQADDNSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccccc2Cl)CC1 ZINC001172303150 1051334168 /nfs/dbraw/zinc/33/41/68/1051334168.db2.gz VTFWLXFIELXGAS-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001172311202 1051335074 /nfs/dbraw/zinc/33/50/74/1051335074.db2.gz QTSZLYGSYMYRJG-ZYSHUDEJSA-N 1 0 302.421 4.076 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1c1ccccc1F ZINC001172307968 1051335492 /nfs/dbraw/zinc/33/54/92/1051335492.db2.gz RSJCQSUNDKPGTM-MGPUTAFESA-N 1 0 308.400 4.465 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311379 1051335647 /nfs/dbraw/zinc/33/56/47/1051335647.db2.gz SCSUUZKWJSHYMQ-INIZCTEOSA-N 1 0 308.425 4.020 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172310735 1051335867 /nfs/dbraw/zinc/33/58/67/1051335867.db2.gz IZVLXGBELGRICH-INIZCTEOSA-N 1 0 308.425 4.020 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001172309781 1051336372 /nfs/dbraw/zinc/33/63/72/1051336372.db2.gz WWYGQCWCCNOWOX-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001172310890 1051336501 /nfs/dbraw/zinc/33/65/01/1051336501.db2.gz LFFVTBAFBBGDAA-MNNVXMFVSA-N 1 0 300.421 4.093 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2ncc(C#N)cc2Cl)cc1 ZINC001215742495 1051336648 /nfs/dbraw/zinc/33/66/48/1051336648.db2.gz GJYZVWLAWBUWIM-UHFFFAOYSA-N 1 0 314.820 4.096 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311814 1051337936 /nfs/dbraw/zinc/33/79/36/1051337936.db2.gz YYEDWXNTHSKBHR-IAGOWNOFSA-N 1 0 322.452 4.061 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001172318783 1051339457 /nfs/dbraw/zinc/33/94/57/1051339457.db2.gz INPHTRAPVJPRIY-OAHLLOKOSA-N 1 0 312.844 4.317 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172318458 1051339951 /nfs/dbraw/zinc/33/99/51/1051339951.db2.gz GEGDYHRFEIDQLD-KKSFZXQISA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)CCc1cccc(Cl)c1 ZINC001172319344 1051340064 /nfs/dbraw/zinc/34/00/64/1051340064.db2.gz MZETXOAEIFVGNN-HNNXBMFYSA-N 1 0 312.844 4.317 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2cc(Cl)cnc2C#N)cc1 ZINC001215745390 1051340547 /nfs/dbraw/zinc/34/05/47/1051340547.db2.gz XOYOSYYRWIOALF-UHFFFAOYSA-N 1 0 314.820 4.096 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2cc(F)c(C#N)c(F)c2)cc1 ZINC001215745958 1051340748 /nfs/dbraw/zinc/34/07/48/1051340748.db2.gz ASBPTZJZPNXTBD-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO CC[C@H](C)OCC[C@H](C)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001172321589 1051342021 /nfs/dbraw/zinc/34/20/21/1051342021.db2.gz LYNAWMAIYSZSCK-RYUDHWBXSA-N 1 0 316.367 4.004 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001172295693 1051348933 /nfs/dbraw/zinc/34/89/33/1051348933.db2.gz DFSATYBTYRAODC-IGEOTXOUSA-N 1 0 324.390 4.448 20 30 DIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)CC(F)(F)F ZINC000402697829 1051348891 /nfs/dbraw/zinc/34/88/91/1051348891.db2.gz RDNLYEIRGKMICM-STQMWFEESA-N 1 0 314.351 4.218 20 30 DIEDRO CC(C)C[C@@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)c1ccccn1 ZINC001172297591 1051350827 /nfs/dbraw/zinc/35/08/27/1051350827.db2.gz QCSZEGKEAKICIP-OXQOHEQNSA-N 1 0 307.441 4.261 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC001172299753 1051351061 /nfs/dbraw/zinc/35/10/61/1051351061.db2.gz OOGPRQAHHXVADJ-INIZCTEOSA-N 1 0 322.427 4.241 20 30 DIEDRO COc1ccc(CC(C)(C)[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172298946 1051351294 /nfs/dbraw/zinc/35/12/94/1051351294.db2.gz GXSOZSLHADSUDI-MRXNPFEDSA-N 1 0 322.452 4.109 20 30 DIEDRO Cc1cccc(C2([NH2+][C@H](C)Cc3ccc(C#N)cc3)CCC2)c1 ZINC001172299283 1051351461 /nfs/dbraw/zinc/35/14/61/1051351461.db2.gz JEBJPIGEGPZYMV-QGZVFWFLSA-N 1 0 304.437 4.467 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC001172297320 1051351696 /nfs/dbraw/zinc/35/16/96/1051351696.db2.gz CVMNFXLEKCAZTI-VBKZILBWSA-N 1 0 308.400 4.296 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172299793 1051353377 /nfs/dbraw/zinc/35/33/77/1051353377.db2.gz NXVLBOCGDDXYQD-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO CC[C@H](C)OCC[C@H](C)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001172344770 1051364733 /nfs/dbraw/zinc/36/47/33/1051364733.db2.gz ZWENXIXEFUIKAA-IRXDYDNUSA-N 1 0 314.473 4.331 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001172346040 1051365043 /nfs/dbraw/zinc/36/50/43/1051365043.db2.gz FLPDAQPEFMSSGL-KRWDZBQOSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC001172350118 1051365895 /nfs/dbraw/zinc/36/58/95/1051365895.db2.gz JVBYNKMDBAXJMD-INIZCTEOSA-N 1 0 320.477 4.487 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]C1(CC)CCS(=O)(=O)CC1 ZINC001172350133 1051366256 /nfs/dbraw/zinc/36/62/56/1051366256.db2.gz KCMUMHHJMOJBIP-MRXNPFEDSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H]1CCN(Cc2ccncc2)C1 ZINC001172351834 1051368443 /nfs/dbraw/zinc/36/84/43/1051368443.db2.gz WBLLTVKCBKLCNP-UXHICEINSA-N 1 0 317.521 4.385 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1c2ccccc2CNC1=O ZINC001172350809 1051368472 /nfs/dbraw/zinc/36/84/72/1051368472.db2.gz PWXIFNRUMAQJKH-FUHWJXTLSA-N 1 0 302.462 4.086 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H](CC(=O)OC)c1ccccn1 ZINC001172351784 1051368627 /nfs/dbraw/zinc/36/86/27/1051368627.db2.gz VIPAELPREHJIBS-FUHWJXTLSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001172355699 1051370223 /nfs/dbraw/zinc/37/02/23/1051370223.db2.gz RDLSAWYTZVTNCW-SFHVURJKSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001172353991 1051370346 /nfs/dbraw/zinc/37/03/46/1051370346.db2.gz CYEZSJIDMWSEPW-QGZVFWFLSA-N 1 0 310.526 4.349 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCN(CCCCOC)CC1 ZINC001172357192 1051372518 /nfs/dbraw/zinc/37/25/18/1051372518.db2.gz CRKSDJBZUHEKHX-IBGZPJMESA-N 1 0 312.542 4.170 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172356517 1051372573 /nfs/dbraw/zinc/37/25/73/1051372573.db2.gz WKWUZYKTPWVMLN-IAGOWNOFSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccc2nnc(C)n2c1 ZINC001172359552 1051372740 /nfs/dbraw/zinc/37/27/40/1051372740.db2.gz YCUKMMYLVGLXFJ-QGZVFWFLSA-N 1 0 302.466 4.266 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CCCNC2=O)CC1 ZINC001172356931 1051372994 /nfs/dbraw/zinc/37/29/94/1051372994.db2.gz ZSOMFWLOEJPZJT-QGZVFWFLSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC001172359513 1051373061 /nfs/dbraw/zinc/37/30/61/1051373061.db2.gz XLXBMHCINRYZIQ-INIZCTEOSA-N 1 0 318.461 4.246 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CCN(CC)C2=O)CC1 ZINC001172359823 1051375219 /nfs/dbraw/zinc/37/52/19/1051375219.db2.gz DTYGRIGAMQEYHC-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cnn(-c2ccccc2)c1 ZINC000766350913 1051397545 /nfs/dbraw/zinc/39/75/45/1051397545.db2.gz PERNRGHVDNGZMP-HOTGVXAUSA-N 1 0 316.408 4.156 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000766350479 1051400008 /nfs/dbraw/zinc/40/00/08/1051400008.db2.gz LUZJHXQERSKPFO-YWZLYKJASA-N 1 0 307.441 4.426 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C(C)(C)c1ccccc1Br ZINC001172487561 1051400390 /nfs/dbraw/zinc/40/03/90/1051400390.db2.gz IIUJVPRORRVSEW-LBPRGKRZSA-N 1 0 309.251 4.356 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC001172475847 1051402003 /nfs/dbraw/zinc/40/20/03/1051402003.db2.gz CYGJHSWOAZRRTE-LRDDRELGSA-N 1 0 321.262 4.498 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC001172475721 1051402128 /nfs/dbraw/zinc/40/21/28/1051402128.db2.gz AEUWHRMRYHBBJR-QXAKKESOSA-N 1 0 300.446 4.186 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC001172477096 1051402494 /nfs/dbraw/zinc/40/24/94/1051402494.db2.gz VHXISZSJXNLDIE-XHDPSFHLSA-N 1 0 307.235 4.108 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](CC1CCOCC1)c1cccc(F)c1 ZINC001172486380 1051404496 /nfs/dbraw/zinc/40/44/96/1051404496.db2.gz DQDWJUGXRHPGJI-BEFAXECRSA-N 1 0 318.436 4.355 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC001172487204 1051411494 /nfs/dbraw/zinc/41/14/94/1051411494.db2.gz KZUXFPOYZOMVLP-HNNXBMFYSA-N 1 0 320.864 4.060 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CCOCC(C)C ZINC001172464340 1051415395 /nfs/dbraw/zinc/41/53/95/1051415395.db2.gz KUZDCQLRCWIRJE-IAGOWNOFSA-N 1 0 305.462 4.353 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](c1ccncc1C(F)(F)F)C1CC1 ZINC001172487782 1051416269 /nfs/dbraw/zinc/41/62/69/1051416269.db2.gz NJNYYJIZDKLXCO-NHYWBVRUSA-N 1 0 311.351 4.223 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001172505577 1051424611 /nfs/dbraw/zinc/42/46/11/1051424611.db2.gz PKZNEHSLSPIRDN-HOTGVXAUSA-N 1 0 305.453 4.465 20 30 DIEDRO C[C@@H](CCCC#N)[N@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001172497218 1051418010 /nfs/dbraw/zinc/41/80/10/1051418010.db2.gz ACOSBFOSTYSDIT-FCRQHZQGSA-N 1 0 324.468 4.266 20 30 DIEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)CCCC#N)C2)cc1 ZINC001172498676 1051418368 /nfs/dbraw/zinc/41/83/68/1051418368.db2.gz PUINRLUTJUORGW-AEFFLSMTSA-N 1 0 300.446 4.032 20 30 DIEDRO COc1ccccc1CC1(C[NH2+][C@H](C)CCCC#N)CCC1 ZINC001172491228 1051418724 /nfs/dbraw/zinc/41/87/24/1051418724.db2.gz FFCCZUUVMDQHPF-MRXNPFEDSA-N 1 0 300.446 4.080 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](CC1CCOCC1)c1ccc(F)cc1 ZINC001172491468 1051418801 /nfs/dbraw/zinc/41/88/01/1051418801.db2.gz HBLAOYZWFUBUJP-DNVCBOLYSA-N 1 0 318.436 4.355 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC001172492741 1051418819 /nfs/dbraw/zinc/41/88/19/1051418819.db2.gz OFXASPHFBDBPKY-MLGOLLRUSA-N 1 0 321.262 4.498 20 30 DIEDRO COc1ccc(CC2(C[NH2+][C@H](C)CCCC#N)CCC2)cc1 ZINC001172492330 1051418851 /nfs/dbraw/zinc/41/88/51/1051418851.db2.gz MHULHPNSWBATRD-MRXNPFEDSA-N 1 0 300.446 4.080 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC#Cc2ccc(F)cc2)C(C)C)cc1 ZINC001168786005 1051419010 /nfs/dbraw/zinc/41/90/10/1051419010.db2.gz VJJMIZKMCIYUPI-HXUWFJFHSA-N 1 0 311.400 4.173 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCN(c2cccc3sccc32)CC1 ZINC001172498346 1051419014 /nfs/dbraw/zinc/41/90/14/1051419014.db2.gz LWJSQECTCSKFJV-HNNXBMFYSA-N 1 0 313.470 4.106 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)C1CCC(C)(C(=O)OC)CC1 ZINC001168788485 1051419652 /nfs/dbraw/zinc/41/96/52/1051419652.db2.gz XNZHMRBABSNPHE-UHFFFAOYSA-N 1 0 315.457 4.187 20 30 DIEDRO CCCCCCCC[C@@H](CC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001172501568 1051419845 /nfs/dbraw/zinc/41/98/45/1051419845.db2.gz DDRBCVLLGNOPRI-QGZVFWFLSA-N 1 0 317.477 4.020 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC(c2noc3ccc(F)cc32)CC1 ZINC001172500329 1051419972 /nfs/dbraw/zinc/41/99/72/1051419972.db2.gz MBXMDDNANRQLBN-CYBMUJFWSA-N 1 0 315.392 4.229 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001172501412 1051419994 /nfs/dbraw/zinc/41/99/94/1051419994.db2.gz HKFZPEPGFSYRLW-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172501624 1051420014 /nfs/dbraw/zinc/42/00/14/1051420014.db2.gz DYTRGKVLPLFANM-VQIMIIECSA-N 1 0 323.477 4.250 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001172501277 1051420048 /nfs/dbraw/zinc/42/00/48/1051420048.db2.gz PTXRZTQRUBVXHT-UKRRQHHQSA-N 1 0 321.262 4.321 20 30 DIEDRO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2[C@@H](C)CCCC#N)cc1 ZINC001172501604 1051420854 /nfs/dbraw/zinc/42/08/54/1051420854.db2.gz DSPRKTRHHRQUSG-YJBOKZPZSA-N 1 0 314.429 4.083 20 30 DIEDRO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2[C@H](C)CCCC#N)cc1 ZINC001172501590 1051420960 /nfs/dbraw/zinc/42/09/60/1051420960.db2.gz DSPRKTRHHRQUSG-CRAIPNDOSA-N 1 0 314.429 4.083 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001172501410 1051421092 /nfs/dbraw/zinc/42/10/92/1051421092.db2.gz HKFZPEPGFSYRLW-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1cn2cccnc2n1 ZINC001172504640 1051422017 /nfs/dbraw/zinc/42/20/17/1051422017.db2.gz HKJCSOAKDRELHP-MRXNPFEDSA-N 1 0 302.466 4.348 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1cncn1CCOC ZINC001172503923 1051422237 /nfs/dbraw/zinc/42/22/37/1051422237.db2.gz UERKXCWFYFHECK-KRWDZBQOSA-N 1 0 309.498 4.148 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1cncn1CCOC ZINC001172503924 1051422343 /nfs/dbraw/zinc/42/23/43/1051422343.db2.gz UERKXCWFYFHECK-QGZVFWFLSA-N 1 0 309.498 4.148 20 30 DIEDRO CCCCCCCC[C@H](CC)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001172504058 1051422475 /nfs/dbraw/zinc/42/24/75/1051422475.db2.gz CDHWZRLXWXLNAX-IRXDYDNUSA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001172503444 1051422863 /nfs/dbraw/zinc/42/28/63/1051422863.db2.gz XJBMMDFRBHPMBL-INIZCTEOSA-N 1 0 317.539 4.073 20 30 DIEDRO C[C@H](CCCC#N)n1c2ccc(Cl)cc2c2c1CC[NH2+]C2 ZINC001172503702 1051422939 /nfs/dbraw/zinc/42/29/39/1051422939.db2.gz BLLUGHONVBOZCN-GFCCVEGCSA-N 1 0 301.821 4.195 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001172503194 1051423213 /nfs/dbraw/zinc/42/32/13/1051423213.db2.gz WKVWNERGANQZPL-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001172505578 1051423973 /nfs/dbraw/zinc/42/39/73/1051423973.db2.gz PKZNEHSLSPIRDN-HZPDHXFCSA-N 1 0 305.453 4.465 20 30 DIEDRO CCCCCCC[C@H](CCC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001172508271 1051424236 /nfs/dbraw/zinc/42/42/36/1051424236.db2.gz IFMIWZHIOGVODL-KRWDZBQOSA-N 1 0 317.477 4.020 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172507705 1051424578 /nfs/dbraw/zinc/42/45/78/1051424578.db2.gz ADZIPYCYLRRSFV-ULQDDVLXSA-N 1 0 305.453 4.260 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001172505323 1051424693 /nfs/dbraw/zinc/42/46/93/1051424693.db2.gz LVMYFSJWWICPJY-QGZVFWFLSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC(n2cnnc2)CC1 ZINC001172505953 1051425229 /nfs/dbraw/zinc/42/52/29/1051425229.db2.gz XRUJIDOUVBPEBQ-QGZVFWFLSA-N 1 0 306.498 4.444 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001172506716 1051425301 /nfs/dbraw/zinc/42/53/01/1051425301.db2.gz ZVVRJJNJFIQLIY-BEFAXECRSA-N 1 0 300.421 4.188 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001172505063 1051425363 /nfs/dbraw/zinc/42/53/63/1051425363.db2.gz JGOODNIHTCPEPG-PKOBYXMFSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001172505238 1051425459 /nfs/dbraw/zinc/42/54/59/1051425459.db2.gz KRJOHYOWYCPIHV-HOTGVXAUSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001172510385 1051426426 /nfs/dbraw/zinc/42/64/26/1051426426.db2.gz AXCBIEPBMMMSKV-MRXNPFEDSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCN(CCCOC)CC1 ZINC001172510355 1051426433 /nfs/dbraw/zinc/42/64/33/1051426433.db2.gz AJFVJVBMFJVETJ-LJQANCHMSA-N 1 0 312.542 4.170 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001172510416 1051426442 /nfs/dbraw/zinc/42/64/42/1051426442.db2.gz BRITYFTUKVCJCS-GOSISDBHSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001172510348 1051426777 /nfs/dbraw/zinc/42/67/77/1051426777.db2.gz AFVLSVNOPBIHMV-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000766450836 1051428029 /nfs/dbraw/zinc/42/80/29/1051428029.db2.gz LWKMCGZKJUJPGK-HIFRSBDPSA-N 1 0 311.878 4.364 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001172511268 1051428478 /nfs/dbraw/zinc/42/84/78/1051428478.db2.gz PRDVPPXLRGNBER-IBGZPJMESA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001172511020 1051428666 /nfs/dbraw/zinc/42/86/66/1051428666.db2.gz LYXMTRKWXXISEH-QGZVFWFLSA-N 1 0 322.493 4.294 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC000766487895 1051430763 /nfs/dbraw/zinc/43/07/63/1051430763.db2.gz NGCOTMWRYYSDEH-ZDUSSCGKSA-N 1 0 317.791 4.342 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537549 1051451755 /nfs/dbraw/zinc/45/17/55/1051451755.db2.gz PXDCOYAYBCARDC-QUCCMNQESA-N 1 0 320.436 4.253 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc4c(c3)CCC4)CC2)cc1 ZINC001168871914 1051456247 /nfs/dbraw/zinc/45/62/47/1051456247.db2.gz FFWMPBULVKUCHY-UHFFFAOYSA-N 1 0 314.432 4.336 20 30 DIEDRO Cc1nc(C)c(C[NH+]2CCC(c3cccc(C#N)c3)CC2)s1 ZINC001206171657 1051466399 /nfs/dbraw/zinc/46/63/99/1051466399.db2.gz RSCJLKARCKQNRH-UHFFFAOYSA-N 1 0 311.454 4.011 20 30 DIEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172622457 1051476065 /nfs/dbraw/zinc/47/60/65/1051476065.db2.gz MACRIZVDWOGUQX-HZPDHXFCSA-N 1 0 310.482 4.110 20 30 DIEDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001169013509 1051487408 /nfs/dbraw/zinc/48/74/08/1051487408.db2.gz GSLHDHWYFYRHBX-FQEVSTJZSA-N 1 0 320.436 4.164 20 30 DIEDRO CN(C)/C=[NH+]/c1ccc(NC(C)(C)CC(C)(C)C)cc1C#N ZINC001169052596 1051497048 /nfs/dbraw/zinc/49/70/48/1051497048.db2.gz LZNKEZHLTGHIBH-DEDYPNTBSA-N 1 0 300.450 4.406 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001172761503 1051498200 /nfs/dbraw/zinc/49/82/00/1051498200.db2.gz RQQBNQJVDPNKBF-HZPDHXFCSA-N 1 0 319.445 4.022 20 30 DIEDRO CC(C)OC(=O)CC[C@@H](C)[N@H+](CCC#N)C1CCCCCCC1 ZINC001172763431 1051501097 /nfs/dbraw/zinc/50/10/97/1051501097.db2.gz JDXUBPCAPVETGC-QGZVFWFLSA-N 1 0 322.493 4.435 20 30 DIEDRO Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCc3c1cccc3C#N)CC2 ZINC001172833109 1051520653 /nfs/dbraw/zinc/52/06/53/1051520653.db2.gz WXTGJKRAODGDTE-WIYYLYMNSA-N 1 0 302.421 4.001 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@H](C)Cc2ccc(F)cc2Cl)cc1C ZINC001172866551 1051527380 /nfs/dbraw/zinc/52/73/80/1051527380.db2.gz UUKRDFQGSPVGQN-CYBMUJFWSA-N 1 0 318.823 4.432 20 30 DIEDRO CC1(C)C[C@@H](Nc2ncc3ccccc3c2C#N)C[C@](C)(C[NH3+])C1 ZINC001169142200 1051532400 /nfs/dbraw/zinc/53/24/00/1051532400.db2.gz LRGKYRNXUVTTAU-QRWLVFNGSA-N 1 0 322.456 4.062 20 30 DIEDRO CC1(C)C[C@H](Nc2ncc3ccccc3c2C#N)C[C@@](C)(C[NH3+])C1 ZINC001169141978 1051533206 /nfs/dbraw/zinc/53/32/06/1051533206.db2.gz LRGKYRNXUVTTAU-MGPUTAFESA-N 1 0 322.456 4.062 20 30 DIEDRO C=CCOCc1cccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169151214 1051537834 /nfs/dbraw/zinc/53/78/34/1051537834.db2.gz HAIUNHPUOMNGDS-UYAOXDASSA-N 1 0 316.489 4.345 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1csc(C#N)c1 ZINC001172858562 1051545844 /nfs/dbraw/zinc/54/58/44/1051545844.db2.gz NSNLAROWOJEWHJ-SNVBAGLBSA-N 1 0 308.809 4.133 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1C#N ZINC001172860484 1051547910 /nfs/dbraw/zinc/54/79/10/1051547910.db2.gz DOSVYLXTOXTDEY-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3cccc(C#N)c3F)cc2)CC1 ZINC001212690580 1051551400 /nfs/dbraw/zinc/55/14/00/1051551400.db2.gz OVZRWUNXDAKULK-UHFFFAOYSA-N 1 0 309.388 4.250 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC001172870683 1051555285 /nfs/dbraw/zinc/55/52/85/1051555285.db2.gz LLVIVUQKCQJKJH-CYBMUJFWSA-N 1 0 316.857 4.482 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC001172879244 1051562228 /nfs/dbraw/zinc/56/22/28/1051562228.db2.gz MSXZBRRKJLCPEZ-LLVKDONJSA-N 1 0 306.818 4.075 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC001172881622 1051563178 /nfs/dbraw/zinc/56/31/78/1051563178.db2.gz JGYZLYVJBIUPQF-CYBMUJFWSA-N 1 0 308.878 4.446 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3ccc(F)c(CC#N)c3)cc2)CC1 ZINC001212692530 1051570320 /nfs/dbraw/zinc/57/03/20/1051570320.db2.gz YPOVMZQFABLXRU-UHFFFAOYSA-N 1 0 323.415 4.445 20 30 DIEDRO CC[N@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1C ZINC001169285905 1051573039 /nfs/dbraw/zinc/57/30/39/1051573039.db2.gz ZQLIXJTWNFEADT-VQIMIIECSA-N 1 0 300.446 4.228 20 30 DIEDRO C#Cc1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc1F ZINC001212692132 1051581427 /nfs/dbraw/zinc/58/14/27/1051581427.db2.gz CFBQAAXGXDVACT-UHFFFAOYSA-N 1 0 308.400 4.360 20 30 DIEDRO Cc1c2[nH+]c[nH]c2ccc1N[C@@](C)(C#N)c1ccccc1Cl ZINC001169380828 1051597953 /nfs/dbraw/zinc/59/79/53/1051597953.db2.gz JSQCCDPXHPIGQW-KRWDZBQOSA-N 1 0 310.788 4.376 20 30 DIEDRO CC(C)[N@H+](CCC(C)(C)C#N)Cc1cnn(Cc2ccccc2)c1 ZINC001168458546 1051600524 /nfs/dbraw/zinc/60/05/24/1051600524.db2.gz NHAQRZZIEYKWKU-UHFFFAOYSA-N 1 0 324.472 4.082 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C ZINC001169494581 1051628950 /nfs/dbraw/zinc/62/89/50/1051628950.db2.gz LYXREFOQKMOBPS-XHBSWPGZSA-N 1 0 310.363 4.491 20 30 DIEDRO N#Cc1cc(C[NH2+]C2CCC(Oc3ccccc3)CC2)ccc1F ZINC001173199465 1051630637 /nfs/dbraw/zinc/63/06/37/1051630637.db2.gz FEDJRRVOQTXKHM-UHFFFAOYSA-N 1 0 324.399 4.177 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cc(C(F)(F)F)ccc2C#N)c1F ZINC001216224138 1051633061 /nfs/dbraw/zinc/63/30/61/1051633061.db2.gz SIBDNFAKZSDEHT-UHFFFAOYSA-N 1 0 323.293 4.179 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(C#N)c3ccccc23)c1F ZINC001216223763 1051633674 /nfs/dbraw/zinc/63/36/74/1051633674.db2.gz YLTMJWGDDSNGRZ-UHFFFAOYSA-N 1 0 305.356 4.314 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cc(C#N)ccc2C(F)(F)F)c1F ZINC001216225588 1051633932 /nfs/dbraw/zinc/63/39/32/1051633932.db2.gz VYCDBFWFBVTMRO-UHFFFAOYSA-N 1 0 323.293 4.179 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000493552062 1051634463 /nfs/dbraw/zinc/63/44/63/1051634463.db2.gz SYRABSYKLWLCAY-RTWAWAEBSA-N 1 0 304.437 4.254 20 30 DIEDRO CC(C)[Si](C#C[NH2+][C@H](C)c1cnccn1)(C(C)C)C(C)C ZINC001169529458 1051634614 /nfs/dbraw/zinc/63/46/14/1051634614.db2.gz KLTYQIDJCHZRRC-MRXNPFEDSA-N 1 0 303.526 4.306 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cc(Cl)c(Cl)cc2C#N)c1F ZINC001216227030 1051635385 /nfs/dbraw/zinc/63/53/85/1051635385.db2.gz MRVXVYJGORMAQP-UHFFFAOYSA-N 1 0 324.186 4.467 20 30 DIEDRO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C#N)C1 ZINC001173208489 1051647419 /nfs/dbraw/zinc/64/74/19/1051647419.db2.gz AROCVYXENQQXQM-MSOLQXFVSA-N 1 0 304.437 4.443 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H](CCCC)CC(C)C)CC2 ZINC001173255770 1051656646 /nfs/dbraw/zinc/65/66/46/1051656646.db2.gz CNSXBAKYXOPIJN-SFHVURJKSA-N 1 0 320.521 4.234 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(C#N)c2[nH]ccc21 ZINC001169690950 1051673920 /nfs/dbraw/zinc/67/39/20/1051673920.db2.gz NKNXOOAINUYSLF-QGZVFWFLSA-N 1 0 316.408 4.280 20 30 DIEDRO C#C[C@](C)(CC)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001169700734 1051678873 /nfs/dbraw/zinc/67/88/73/1051678873.db2.gz WSYLRMVZEBNRLP-OAQYLSRUSA-N 1 0 304.437 4.416 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH+]1CCC(C(=O)NC)CC1 ZINC001173308604 1051681241 /nfs/dbraw/zinc/68/12/41/1051681241.db2.gz BJFLBJPNICXAEH-SFHVURJKSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+]Cc1cncc(C(N)=O)c1 ZINC001173310050 1051681542 /nfs/dbraw/zinc/68/15/42/1051681542.db2.gz OHULQHDGFRFZSP-GOSISDBHSA-N 1 0 319.493 4.189 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CCN(C(C)=O)C1 ZINC001173310150 1051681988 /nfs/dbraw/zinc/68/19/88/1051681988.db2.gz QQIXVYRMICYCSE-RBUKOAKNSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CCN(C(C)=O)C1 ZINC001173310149 1051682035 /nfs/dbraw/zinc/68/20/35/1051682035.db2.gz QQIXVYRMICYCSE-OALUTQOASA-N 1 0 310.526 4.364 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2c(Cl)ccc(C)c2F)CC1 ZINC001173311519 1051683677 /nfs/dbraw/zinc/68/36/77/1051683677.db2.gz LMPACDHPQXOBJA-UHFFFAOYSA-N 1 0 311.828 4.391 20 30 DIEDRO CCCCCCCC[C@H](CCC)n1[nH]c(=O)c2c1CC[NH2+]C2 ZINC001173310424 1051683797 /nfs/dbraw/zinc/68/37/97/1051683797.db2.gz VPPGWCMMNWKDKR-HNNXBMFYSA-N 1 0 307.482 4.326 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)Cc2ccc(F)cc2)CC1 ZINC001173311876 1051684188 /nfs/dbraw/zinc/68/41/88/1051684188.db2.gz QFRSYWJERJJZQB-UHFFFAOYSA-N 1 0 305.437 4.250 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[N@H+]1CCc2nncn2CC1 ZINC001173310681 1051684208 /nfs/dbraw/zinc/68/42/08/1051684208.db2.gz XUZYLNNSCJZTTR-QGZVFWFLSA-N 1 0 306.498 4.056 20 30 DIEDRO C=CCOC1CCC(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC001173311535 1051684231 /nfs/dbraw/zinc/68/42/31/1051684231.db2.gz LSTVOVCZMFUBJC-UHFFFAOYSA-N 1 0 316.489 4.283 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC001173312879 1051684308 /nfs/dbraw/zinc/68/43/08/1051684308.db2.gz MMKIZPFEGIAZQO-UHFFFAOYSA-N 1 0 324.262 4.053 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC001173284271 1051688035 /nfs/dbraw/zinc/68/80/35/1051688035.db2.gz DUJOYGZTJOPGCI-ROUUACIJSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169775123 1051690599 /nfs/dbraw/zinc/69/05/99/1051690599.db2.gz KLRMOEBIIZTHDE-LJQANCHMSA-N 1 0 316.489 4.193 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001173324931 1051692611 /nfs/dbraw/zinc/69/26/11/1051692611.db2.gz BBRPNWOZCFHCPT-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001173326338 1051692699 /nfs/dbraw/zinc/69/26/99/1051692699.db2.gz YZJFKTMKXFENKX-GPJFCIFZSA-N 1 0 317.448 4.346 20 30 DIEDRO C=CCOC1CCC(n2cc(CC[NH2+]C)c3ccccc32)CC1 ZINC001173323355 1051692828 /nfs/dbraw/zinc/69/28/28/1051692828.db2.gz WAFJNQHAPGSGAJ-UHFFFAOYSA-N 1 0 312.457 4.090 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001173326124 1051693030 /nfs/dbraw/zinc/69/30/30/1051693030.db2.gz SOJNJHJXHDHFKI-UHFFFAOYSA-N 1 0 311.473 4.239 20 30 DIEDRO N#CCC1CCC([NH2+]CCSCc2ccc(F)cc2)CC1 ZINC001173328242 1051694414 /nfs/dbraw/zinc/69/44/14/1051694414.db2.gz UFEMHGVIDNNBTL-UHFFFAOYSA-N 1 0 306.450 4.121 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(-c3nccs3)cc2)CC1 ZINC001173330764 1051695125 /nfs/dbraw/zinc/69/51/25/1051695125.db2.gz VTNLLCLHGYOTJZ-UHFFFAOYSA-N 1 0 311.454 4.372 20 30 DIEDRO N#CCC1CCC([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC001173329994 1051695167 /nfs/dbraw/zinc/69/51/67/1051695167.db2.gz QZNYMKYYRDYTBF-OUNSHVDWSA-N 1 0 305.425 4.233 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC001173329677 1051695201 /nfs/dbraw/zinc/69/52/01/1051695201.db2.gz LKWPQPOROALURA-UHFFFAOYSA-N 1 0 313.264 4.073 20 30 DIEDRO N#CCC1CCC([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC001173330261 1051695454 /nfs/dbraw/zinc/69/54/54/1051695454.db2.gz MMXKCFHEIQYFMB-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO CCc1cc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ccc1C#N ZINC001216316705 1051696104 /nfs/dbraw/zinc/69/61/04/1051696104.db2.gz MSTHHUFLBVKZTG-IBGZPJMESA-N 1 0 321.424 4.249 20 30 DIEDRO COc1ccccc1CC(C)(C)[NH2+]C1CCC(CC#N)CC1 ZINC001173334012 1051696746 /nfs/dbraw/zinc/69/67/46/1051696746.db2.gz STCVPVXRHOOXOA-UHFFFAOYSA-N 1 0 300.446 4.078 20 30 DIEDRO N#CCC1CCC([NH+]2CCC3(CC(OCC4CC4)C3)CC2)CC1 ZINC001173335675 1051696960 /nfs/dbraw/zinc/69/69/60/1051696960.db2.gz UUHSXBJFPJQFLH-UHFFFAOYSA-N 1 0 316.489 4.130 20 30 DIEDRO N#CCC1CCC([NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC001173337341 1051697393 /nfs/dbraw/zinc/69/73/93/1051697393.db2.gz IHLHLPYUGFAUFW-UHFFFAOYSA-N 1 0 324.468 4.023 20 30 DIEDRO N#CCC1CCC([NH2+][C@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001173333650 1051697460 /nfs/dbraw/zinc/69/74/60/1051697460.db2.gz OINWAZWAIZBIMA-SEFLRBGSSA-N 1 0 303.837 4.248 20 30 DIEDRO N#CCC1CCC([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001173333083 1051697776 /nfs/dbraw/zinc/69/77/76/1051697776.db2.gz XKBQWDIQMWPDBF-WFZFXDGQSA-N 1 0 304.384 4.404 20 30 DIEDRO N#CCC1CCC([NH2+]CC2(CC3CCC3)CCOCC2)CC1 ZINC001173332421 1051697871 /nfs/dbraw/zinc/69/78/71/1051697871.db2.gz KRUKQFYKDVTJMQ-UHFFFAOYSA-N 1 0 304.478 4.035 20 30 DIEDRO N#CCC1CCC([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001173338011 1051698592 /nfs/dbraw/zinc/69/85/92/1051698592.db2.gz VIBCHOXUZRVIBO-LYBXBRPPSA-N 1 0 312.457 4.140 20 30 DIEDRO N#CCC1CCC([N@@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001173339946 1051699307 /nfs/dbraw/zinc/69/93/07/1051699307.db2.gz VZSYRZZBBYBPQA-HTWSVDAQSA-N 1 0 315.486 4.111 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC001169791864 1051702554 /nfs/dbraw/zinc/70/25/54/1051702554.db2.gz OBSDXHJYAJHMRY-RBUKOAKNSA-N 1 0 311.510 4.397 20 30 DIEDRO C=CCN(C)CC[N@@H+](CC)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001169831736 1051704381 /nfs/dbraw/zinc/70/43/81/1051704381.db2.gz BAFRHHJUOOOVQW-ZDUSSCGKSA-N 1 0 315.288 4.494 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)Cc2ccc(OC)cc2)CC1 ZINC001173318661 1051710349 /nfs/dbraw/zinc/71/03/49/1051710349.db2.gz IERFRHPXHUQHPZ-UHFFFAOYSA-N 1 0 317.473 4.120 20 30 DIEDRO C=CCOC1CCC([NH2+]CC(C)(C)Cc2ccccc2F)CC1 ZINC001173317450 1051711543 /nfs/dbraw/zinc/71/15/43/1051711543.db2.gz JBJPMMNSZWGKCZ-UHFFFAOYSA-N 1 0 319.464 4.498 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001173318605 1051711657 /nfs/dbraw/zinc/71/16/57/1051711657.db2.gz FNHSYNTUOWHNDN-ABHNRTSZSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2cccc3ccc(C)nc32)CC1 ZINC001173319814 1051712690 /nfs/dbraw/zinc/71/26/90/1051712690.db2.gz XBRTWEKGVXDZKZ-UHFFFAOYSA-N 1 0 310.441 4.147 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC001173320058 1051713462 /nfs/dbraw/zinc/71/34/62/1051713462.db2.gz GIRGMASSQNJNES-UUKMXZOPSA-N 1 0 315.457 4.346 20 30 DIEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC001169853655 1051713938 /nfs/dbraw/zinc/71/39/38/1051713938.db2.gz GOUMYNMABSSAAJ-DNVCBOLYSA-N 1 0 308.400 4.384 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC001173319856 1051714002 /nfs/dbraw/zinc/71/40/02/1051714002.db2.gz YPIBVGOZBAQDFF-QWQCLYJRSA-N 1 0 307.384 4.056 20 30 DIEDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC001169853654 1051714582 /nfs/dbraw/zinc/71/45/82/1051714582.db2.gz GOUMYNMABSSAAJ-BEFAXECRSA-N 1 0 308.400 4.384 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173445045 1051727552 /nfs/dbraw/zinc/72/75/52/1051727552.db2.gz OKNSDRFPPPNFHW-HZPDHXFCSA-N 1 0 319.445 4.024 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ncc(C)c(OC)c1C ZINC001169952324 1051734279 /nfs/dbraw/zinc/73/42/79/1051734279.db2.gz DWJDUVBIWYWHKJ-UHFFFAOYSA-N 1 0 310.441 4.285 20 30 DIEDRO CC1(C)CC(=O)C=C(Nc2ccc3c(c2)[nH]c2cc[nH+]cc23)C1 ZINC001169953357 1051735933 /nfs/dbraw/zinc/73/59/33/1051735933.db2.gz SUIGJEJHLNANLY-UHFFFAOYSA-N 1 0 305.381 4.401 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(N3CCCCC3)c2)CC1 ZINC001173584897 1051754406 /nfs/dbraw/zinc/75/44/06/1051754406.db2.gz QAFIFEKZJJGNTR-UHFFFAOYSA-N 1 0 311.473 4.239 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001173585031 1051754424 /nfs/dbraw/zinc/75/44/24/1051754424.db2.gz XCYHUTJXAYELGQ-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)c1ccccc1 ZINC000806149452 1051754590 /nfs/dbraw/zinc/75/45/90/1051754590.db2.gz SXAQQNGVWOVZKL-CVEARBPZSA-N 1 0 311.816 4.357 20 30 DIEDRO COc1ccc(CC2(C[NH2+]C3CCC(C)(C#N)CC3)CC2)cc1 ZINC001173590730 1051755180 /nfs/dbraw/zinc/75/51/80/1051755180.db2.gz ANSOIWDMSFPMIY-UHFFFAOYSA-N 1 0 312.457 4.080 20 30 DIEDRO COc1ccccc1CC1(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591479 1051755367 /nfs/dbraw/zinc/75/53/67/1051755367.db2.gz KWGVWCVDECTHQJ-UHFFFAOYSA-N 1 0 312.457 4.080 20 30 DIEDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)C1CCC(C)(C#N)CC1 ZINC001173592307 1051755556 /nfs/dbraw/zinc/75/55/56/1051755556.db2.gz MPYIJPQKJNGKSM-PPDQVPDSSA-N 1 0 314.473 4.421 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001173591514 1051755955 /nfs/dbraw/zinc/75/59/55/1051755955.db2.gz SUSYOLYAOSXOHW-AQFXKWCLSA-N 1 0 303.837 4.248 20 30 DIEDRO CC(C)(C[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1F ZINC001173590826 1051756191 /nfs/dbraw/zinc/75/61/91/1051756191.db2.gz CXDJVSMQGWFKCM-UHFFFAOYSA-N 1 0 302.437 4.456 20 30 DIEDRO COc1ccccc1CC(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591026 1051756235 /nfs/dbraw/zinc/75/62/35/1051756235.db2.gz HNXUSFOIPZOHHF-UHFFFAOYSA-N 1 0 314.473 4.326 20 30 DIEDRO COc1ccc(C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)cc1 ZINC001173595880 1051756987 /nfs/dbraw/zinc/75/69/87/1051756987.db2.gz AIHVMMBFFWPKHQ-UHFFFAOYSA-N 1 0 312.457 4.347 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000152975617 1051757126 /nfs/dbraw/zinc/75/71/26/1051757126.db2.gz DFFLVPNQTPBBDZ-AWEZNQCLSA-N 1 0 322.880 4.040 20 30 DIEDRO CC1(C#N)CCC(n2cc(CC[NH3+])c3c2cccc3Cl)CC1 ZINC001173594015 1051757143 /nfs/dbraw/zinc/75/71/43/1051757143.db2.gz ZRPIFSYMAHFKEH-UHFFFAOYSA-N 1 0 315.848 4.441 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173601004 1051757509 /nfs/dbraw/zinc/75/75/09/1051757509.db2.gz NGQVAPQZIKVNAQ-ZJRDLVKKSA-N 1 0 312.457 4.347 20 30 DIEDRO Cc1ccc([C@@]2(C)C[N@@H+](C3CCC(C)(C#N)CC3)CCO2)cc1 ZINC001173597684 1051758401 /nfs/dbraw/zinc/75/84/01/1051758401.db2.gz DKZXEDNCJKBPFA-SOAGJPPSSA-N 1 0 312.457 4.015 20 30 DIEDRO C=CC[N@H+](C1CCCCC1)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173628842 1051762106 /nfs/dbraw/zinc/76/21/06/1051762106.db2.gz VPTZZFCEKBXYJF-QPIRBTGLSA-N 1 0 319.489 4.319 20 30 DIEDRO CCCCCCCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173663212 1051767784 /nfs/dbraw/zinc/76/77/84/1051767784.db2.gz WYSMYMPCVZDIOR-UHFFFAOYSA-N 1 0 308.432 4.353 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173690344 1051781076 /nfs/dbraw/zinc/78/10/76/1051781076.db2.gz RHRLCOFECYWQJD-FQVISZRSSA-N 1 0 308.469 4.439 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185780575 1051783159 /nfs/dbraw/zinc/78/31/59/1051783159.db2.gz BKHXKBZRMOILOE-IVMMDQJWSA-N 1 0 321.262 4.052 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000185811215 1051787068 /nfs/dbraw/zinc/78/70/68/1051787068.db2.gz DAHACJGFWPKJPO-CJNGLKHVSA-N 1 0 322.374 4.409 20 30 DIEDRO CCc1nc2ccccc2n1[NH+]=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000767361881 1051793626 /nfs/dbraw/zinc/79/36/26/1051793626.db2.gz KSGYKFYTISNZNU-IJABUKMRSA-N 1 0 320.352 4.054 20 30 DIEDRO N#Cc1cc(Nc2c[nH+]cn2Cc2ccccc2)ccc1Cl ZINC001216553802 1051816605 /nfs/dbraw/zinc/81/66/05/1051816605.db2.gz NTGUQVMMYRGLFS-UHFFFAOYSA-N 1 0 308.772 4.200 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1c[nH+]cn1Cc1ccccc1 ZINC001216554106 1051816889 /nfs/dbraw/zinc/81/68/89/1051816889.db2.gz XFVQIFGVXVVIGP-UHFFFAOYSA-N 1 0 302.381 4.164 20 30 DIEDRO Cc1ccc(C)c(Nc2c[nH+]cn2Cc2ccccc2)c1C#N ZINC001216554413 1051818694 /nfs/dbraw/zinc/81/86/94/1051818694.db2.gz DGTVEVZVOWECAK-UHFFFAOYSA-N 1 0 302.381 4.164 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H](C)c1cccc(CO)c1)c1ccc(F)c(F)c1 ZINC000186448845 1051818697 /nfs/dbraw/zinc/81/86/97/1051818697.db2.gz AIYPKSGYHHRKQV-YJYMSZOUSA-N 1 0 317.379 4.425 20 30 DIEDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000404103130 1051822182 /nfs/dbraw/zinc/82/21/82/1051822182.db2.gz XDGOMDDCOJCVDI-OAHLLOKOSA-N 1 0 308.400 4.498 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)ccc1C#N ZINC000767691952 1051839411 /nfs/dbraw/zinc/83/94/11/1051839411.db2.gz QHHSJKUMAVDUTQ-LJQANCHMSA-N 1 0 318.420 4.403 20 30 DIEDRO C[N@H+](CCc1ccccc1F)Cc1ccccc1C(C)(C)C#N ZINC000767900663 1051863785 /nfs/dbraw/zinc/86/37/85/1051863785.db2.gz SITZRRMHPYNCLG-UHFFFAOYSA-N 1 0 310.416 4.301 20 30 DIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCC2)cc1 ZINC000767901472 1051864332 /nfs/dbraw/zinc/86/43/32/1051864332.db2.gz HQMGWFMQLIQYPM-WOJBJXKFSA-N 1 0 312.457 4.026 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)O[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768010169 1051871688 /nfs/dbraw/zinc/87/16/88/1051871688.db2.gz KZNYLDPFUYABQE-SCTDSRPQSA-N 1 0 315.457 4.043 20 30 DIEDRO CCCCCCCC(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC001130840272 1051875693 /nfs/dbraw/zinc/87/56/93/1051875693.db2.gz KWFDEKSOFSOHJX-GOSISDBHSA-N 1 0 316.489 4.257 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(OC)c1)c1ccncc1 ZINC000768103513 1051881681 /nfs/dbraw/zinc/88/16/81/1051881681.db2.gz GBECUHCDGBEWHR-CXAGYDPISA-N 1 0 300.377 4.197 20 30 DIEDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609195499 1051883927 /nfs/dbraw/zinc/88/39/27/1051883927.db2.gz HAWJAPYCNGCOEZ-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO N#Cc1ccc(OCC[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000609195415 1051884049 /nfs/dbraw/zinc/88/40/49/1051884049.db2.gz KNRVAQPAKCTRDJ-HXUWFJFHSA-N 1 0 306.409 4.068 20 30 DIEDRO CCC[N@H+](Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000768159432 1051890025 /nfs/dbraw/zinc/89/00/25/1051890025.db2.gz FGBMEDBXHJPTHY-UHFFFAOYSA-N 1 0 321.468 4.449 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001173930500 1051902815 /nfs/dbraw/zinc/90/28/15/1051902815.db2.gz ZTEHHXIFUXMGEZ-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000768274770 1051913853 /nfs/dbraw/zinc/91/38/53/1051913853.db2.gz GBPALFGRWWNOMZ-RDTXWAMCSA-N 1 0 311.450 4.488 20 30 DIEDRO CCC1(CC)C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCS1 ZINC000768527808 1051938117 /nfs/dbraw/zinc/93/81/17/1051938117.db2.gz FNWAZAFIFSDVLW-OAHLLOKOSA-N 1 0 318.486 4.085 20 30 DIEDRO CCC1(CC)C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCS1 ZINC000768527806 1051938146 /nfs/dbraw/zinc/93/81/46/1051938146.db2.gz FNWAZAFIFSDVLW-HNNXBMFYSA-N 1 0 318.486 4.085 20 30 DIEDRO C=CC1(CC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CCCCC1 ZINC001131092639 1051949013 /nfs/dbraw/zinc/94/90/13/1051949013.db2.gz PLUGMXITNJQDFD-GOSISDBHSA-N 1 0 318.505 4.036 20 30 DIEDRO C#Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000768662943 1051952073 /nfs/dbraw/zinc/95/20/73/1051952073.db2.gz DWSDMZLVIQMFGS-UTKZUKDTSA-N 1 0 304.437 4.133 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]C3CC(C(F)F)C3)c2)s1 ZINC000768692897 1051953854 /nfs/dbraw/zinc/95/38/54/1051953854.db2.gz SEIBGHOXGSGWFW-UHFFFAOYSA-N 1 0 318.392 4.420 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169996532 1051969322 /nfs/dbraw/zinc/96/93/22/1051969322.db2.gz BALMZWQCNHKODJ-SFHVURJKSA-N 1 0 324.424 4.033 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191529988 1051975845 /nfs/dbraw/zinc/97/58/45/1051975845.db2.gz XAZVQGWXBVNXIL-DOMZBBRYSA-N 1 0 303.381 4.271 20 30 DIEDRO CC(C)Oc1ccc([C@@H](CNc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000808086480 1051975771 /nfs/dbraw/zinc/97/57/71/1051975771.db2.gz CTLUSOWQMKFHIJ-HXUWFJFHSA-N 1 0 323.440 4.060 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cncc2ccccc21 ZINC000768937289 1051982824 /nfs/dbraw/zinc/98/28/24/1051982824.db2.gz PMSIMVDVRVPUMN-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(C#N)c(F)c1 ZINC000191949398 1051991120 /nfs/dbraw/zinc/99/11/20/1051991120.db2.gz USJXOGOTEWJKFK-LLVKDONJSA-N 1 0 304.315 4.169 20 30 DIEDRO C=CC[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000494646294 1051997659 /nfs/dbraw/zinc/99/76/59/1051997659.db2.gz IRMTVMVSSCQMMF-UHFFFAOYSA-N 1 0 317.845 4.334 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)c1 ZINC000769122852 1051999216 /nfs/dbraw/zinc/99/92/16/1051999216.db2.gz WAWNHNHDOKWNDS-UHFFFAOYSA-N 1 0 321.449 4.481 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000192153199 1052000769 /nfs/dbraw/zinc/00/07/69/1052000769.db2.gz AELKOGRWJSSORV-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO CCCCCCOc1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000769192119 1052003430 /nfs/dbraw/zinc/00/34/30/1052003430.db2.gz DBIYXKZQMVKGFL-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO C[NH+](C)C1CCC(Oc2c(C#N)ccc(Cl)c2Cl)CC1 ZINC001234427444 1052010724 /nfs/dbraw/zinc/01/07/24/1052010724.db2.gz AEEOXZBYPBESCI-UHFFFAOYSA-N 1 0 313.228 4.117 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl ZINC000808418745 1052021200 /nfs/dbraw/zinc/02/12/00/1052021200.db2.gz DGWHWHQHMUHAJM-UHFFFAOYSA-N 1 0 320.868 4.156 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1OC ZINC000769402849 1052038589 /nfs/dbraw/zinc/03/85/89/1052038589.db2.gz ODIQLFSVZUEGIY-UHFFFAOYSA-N 1 0 301.430 4.026 20 30 DIEDRO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000769463206 1052060876 /nfs/dbraw/zinc/06/08/76/1052060876.db2.gz OIUCTPSCVLRVJK-ZWKOTPCHSA-N 1 0 322.452 4.349 20 30 DIEDRO N#Cc1cc(Cl)cc(Cl)c1Nc1ccc2[nH+]ccn2c1 ZINC001174279352 1052066516 /nfs/dbraw/zinc/06/65/16/1052066516.db2.gz UYDMNMSOEMUSJM-UHFFFAOYSA-N 1 0 303.152 4.256 20 30 DIEDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)c1O ZINC000808675780 1052067216 /nfs/dbraw/zinc/06/72/16/1052067216.db2.gz SHHQPABLQFZZGP-GFCCVEGCSA-N 1 0 300.789 4.077 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000808724759 1052081669 /nfs/dbraw/zinc/08/16/69/1052081669.db2.gz ITZJYQMDOGWMKE-ULQDDVLXSA-N 1 0 324.509 4.262 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000808724757 1052082165 /nfs/dbraw/zinc/08/21/65/1052082165.db2.gz ITZJYQMDOGWMKE-BRWVUGGUSA-N 1 0 324.509 4.262 20 30 DIEDRO CC(C)(C)c1ccc(C[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000769929400 1052131186 /nfs/dbraw/zinc/13/11/86/1052131186.db2.gz ZUEIAWGMVHTPMW-UHFFFAOYSA-N 1 0 302.418 4.346 20 30 DIEDRO C=CCCCC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000769935116 1052134067 /nfs/dbraw/zinc/13/40/67/1052134067.db2.gz ACBPRWTYBLHUPU-UHFFFAOYSA-N 1 0 303.837 4.186 20 30 DIEDRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC000769975144 1052134099 /nfs/dbraw/zinc/13/40/99/1052134099.db2.gz ZYFMROQIEDQBOG-IBGZPJMESA-N 1 0 308.400 4.481 20 30 DIEDRO C[C@H]1C[NH2+]CCC[C@@H]1OCc1ccc(-c2ccccc2C#N)cc1 ZINC001217772133 1052139517 /nfs/dbraw/zinc/13/95/17/1052139517.db2.gz ABHDTJCXNYHQJD-KKSFZXQISA-N 1 0 320.436 4.130 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1O[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001217831633 1052151320 /nfs/dbraw/zinc/15/13/20/1052151320.db2.gz IOKNFJNPUOLGJN-OALUTQOASA-N 1 0 313.828 4.364 20 30 DIEDRO C[Si](C)(C)C#C[C@H](OCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC001217831988 1052151440 /nfs/dbraw/zinc/15/14/40/1052151440.db2.gz IPTHDBQUKISGJA-FQEVSTJZSA-N 1 0 323.512 4.284 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1OC(C)(C)c1ccc(C(C)(C)Cl)cc1 ZINC001217831136 1052151984 /nfs/dbraw/zinc/15/19/84/1052151984.db2.gz DGKCIMUQGJHREL-MRXNPFEDSA-N 1 0 307.865 4.330 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](OCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC001217831992 1052152137 /nfs/dbraw/zinc/15/21/37/1052152137.db2.gz IPTHDBQUKISGJA-HXUWFJFHSA-N 1 0 323.512 4.284 20 30 DIEDRO C=CC[C@@H](OCC[C@H]([NH3+])c1ccc(OC)cc1)c1ccccc1 ZINC001217877184 1052160947 /nfs/dbraw/zinc/16/09/47/1052160947.db2.gz YZJFPNMUFHRAFN-VQTJNVASSA-N 1 0 311.425 4.419 20 30 DIEDRO CC1(C)C[NH2+]CC[C@@H]1OCc1ccc(-c2ccccc2C#N)cc1 ZINC001217878180 1052161719 /nfs/dbraw/zinc/16/17/19/1052161719.db2.gz SZHGHJATLJUHJC-FQEVSTJZSA-N 1 0 320.436 4.130 20 30 DIEDRO C=C[C@@H](CCCCCCC)OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217885188 1052162758 /nfs/dbraw/zinc/16/27/58/1052162758.db2.gz ZVABRXVOWGXWEX-RBUKOAKNSA-N 1 0 323.521 4.467 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)OCCC[C@@H]1CCC[NH2+]C1 ZINC001217889570 1052164047 /nfs/dbraw/zinc/16/40/47/1052164047.db2.gz PBPSIKCNFAMTGD-IRXDYDNUSA-N 1 0 303.446 4.109 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217891890 1052165725 /nfs/dbraw/zinc/16/57/25/1052165725.db2.gz YFAGGDZVWKZPKB-MRXNPFEDSA-N 1 0 323.436 4.175 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](OCCCCC2CC[NH2+]CC2)C(C)(C)O1 ZINC001217897352 1052167579 /nfs/dbraw/zinc/16/75/79/1052167579.db2.gz XAOJGWZMTUINEU-MJGOQNOKSA-N 1 0 309.494 4.075 20 30 DIEDRO CC1(CO[C@@H](C#Cc2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC001217928541 1052172028 /nfs/dbraw/zinc/17/20/28/1052172028.db2.gz PTAQQWUOSOHAQE-NRFANRHFSA-N 1 0 319.448 4.186 20 30 DIEDRO C(#C[C@@H](OCC[C@H]1CCC[NH2+]C1)c1ccccc1)c1ccccc1 ZINC001217929861 1052172616 /nfs/dbraw/zinc/17/26/16/1052172616.db2.gz ZCTCNMVVMRQCTQ-IFMALSPDSA-N 1 0 319.448 4.186 20 30 DIEDRO O=C(/C=C\c1ccc(O[C@H]2CCCC[NH2+]C2)cc1)c1ccccc1 ZINC001217970529 1052177504 /nfs/dbraw/zinc/17/75/04/1052177504.db2.gz MYRXSUBYFQAYIM-QKQONQEDSA-N 1 0 321.420 4.104 20 30 DIEDRO O=C(/C=C/c1ccc(O[C@@H]2CCCC[NH2+]C2)cc1)c1ccccc1 ZINC001217970531 1052178311 /nfs/dbraw/zinc/17/83/11/1052178311.db2.gz MYRXSUBYFQAYIM-RDPWEWGOSA-N 1 0 321.420 4.104 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@H]2CCC[NH2+]CC2)cc1 ZINC001217994853 1052182490 /nfs/dbraw/zinc/18/24/90/1052182490.db2.gz CKSKRBCERUPCCM-SFHVURJKSA-N 1 0 312.388 4.097 20 30 DIEDRO O=C(/C=C/c1ccccc1O[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC001217994247 1052182590 /nfs/dbraw/zinc/18/25/90/1052182590.db2.gz GNAMOWBDASEGBU-JXOMPUQVSA-N 1 0 321.420 4.104 20 30 DIEDRO O=C(/C=C\c1ccc(O[C@@H]2CCC[NH2+]CC2)cc1)c1ccccc1 ZINC001217996224 1052182659 /nfs/dbraw/zinc/18/26/59/1052182659.db2.gz XPIIADQVGPAWGV-QTJNJRLBSA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001217991733 1052182860 /nfs/dbraw/zinc/18/28/60/1052182860.db2.gz XNFLWEXQALOXAB-LPHOPBHVSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001218026048 1052186980 /nfs/dbraw/zinc/18/69/80/1052186980.db2.gz WZLLWIWNKMEVIU-VQIMIIECSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001218026045 1052186989 /nfs/dbraw/zinc/18/69/89/1052186989.db2.gz WZLLWIWNKMEVIU-LPHOPBHVSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001218029631 1052188683 /nfs/dbraw/zinc/18/86/83/1052188683.db2.gz DMVUBICTJIFANZ-USJTWOEQSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@@H]1C[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)CC[NH2+]1 ZINC001218062770 1052191090 /nfs/dbraw/zinc/19/10/90/1052191090.db2.gz WHNYSMVKVQFZPA-CXZYJVGSSA-N 1 0 321.420 4.102 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000495004562 1052196115 /nfs/dbraw/zinc/19/61/15/1052196115.db2.gz GUNJVSFMZHZUHI-QAPCUYQASA-N 1 0 318.436 4.213 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218185874 1052204824 /nfs/dbraw/zinc/20/48/24/1052204824.db2.gz IXTFVXXBFMXXHU-REPLKXPHSA-N 1 0 306.409 4.099 20 30 DIEDRO C[C@@H](Oc1c(C(C)(C)C)cc(C#N)cc1C(C)(C)C)C1C[NH2+]C1 ZINC001218196455 1052205643 /nfs/dbraw/zinc/20/56/43/1052205643.db2.gz VEEQQXLUKCRWLO-CYBMUJFWSA-N 1 0 314.473 4.140 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1OC1=CC(=O)C=CC1=NNc1ccccc1 ZINC001218206274 1052207765 /nfs/dbraw/zinc/20/77/65/1052207765.db2.gz AKWDACNQFPCCCS-PNBGARPFSA-N 1 0 309.369 4.105 20 30 DIEDRO C[Si](C)(C)C#C[C@H](Oc1ccccc1C[NH3+])c1ccccc1 ZINC001218215403 1052208718 /nfs/dbraw/zinc/20/87/18/1052208718.db2.gz SBGDDTQIZJYORT-IBGZPJMESA-N 1 0 309.485 4.146 20 30 DIEDRO CC(C)C[N@H+](C/C=C\c1ccncc1)Cc1ccc(C#N)cc1 ZINC000495092068 1052212759 /nfs/dbraw/zinc/21/27/59/1052212759.db2.gz LJCOVTJTWBDQJJ-ARJAWSKDSA-N 1 0 305.425 4.125 20 30 DIEDRO N#Cc1ccc(-c2ccc(OC3CCC4(C[NH2+]C4)CC3)cc2)cc1 ZINC001218261544 1052213924 /nfs/dbraw/zinc/21/39/24/1052213924.db2.gz KNRKFQHNRKAQRF-UHFFFAOYSA-N 1 0 318.420 4.136 20 30 DIEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2ccccc2)c1C ZINC000914690247 1052217166 /nfs/dbraw/zinc/21/71/66/1052217166.db2.gz OISRZTDVIRYSAB-HXUWFJFHSA-N 1 0 324.472 4.035 20 30 DIEDRO N#Cc1ccc(-c2ccc(O[C@@H]3CC[NH2+]C4(CCC4)C3)cc2)cc1 ZINC001218305911 1052221908 /nfs/dbraw/zinc/22/19/08/1052221908.db2.gz FUEFGWXJPHHZAR-HXUWFJFHSA-N 1 0 318.420 4.279 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218349175 1052229345 /nfs/dbraw/zinc/22/93/45/1052229345.db2.gz YXBFDNXBWMUOES-OAHLLOKOSA-N 1 0 309.409 4.037 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2C[NH2+]CCC23CC3)cc1 ZINC001218403514 1052234994 /nfs/dbraw/zinc/23/49/94/1052234994.db2.gz JQUJSJNWEDCVKA-LJQANCHMSA-N 1 0 324.399 4.097 20 30 DIEDRO C[C@H]1CC[C@@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C[NH2+]1 ZINC001218405768 1052236266 /nfs/dbraw/zinc/23/62/66/1052236266.db2.gz MCHFWLWDQQDEMV-GYSNRACHSA-N 1 0 312.388 4.096 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)CCC#N ZINC000229680038 1052237614 /nfs/dbraw/zinc/23/76/14/1052237614.db2.gz YPGJEMZNWYPTBQ-ZDUSSCGKSA-N 1 0 323.278 4.300 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Br)cc1 ZINC000229693322 1052239853 /nfs/dbraw/zinc/23/98/53/1052239853.db2.gz RAEVTFQYZHGCKQ-LBPRGKRZSA-N 1 0 309.251 4.430 20 30 DIEDRO [NH3+]Cc1cccc(O[C@H](C#Cc2ccccc2)c2ccccc2)c1 ZINC001218439128 1052240400 /nfs/dbraw/zinc/24/04/00/1052240400.db2.gz QXNRTULLHVQBDK-JOCHJYFZSA-N 1 0 313.400 4.317 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2nc(SC)sc2c1 ZINC001218457376 1052241085 /nfs/dbraw/zinc/24/10/85/1052241085.db2.gz LXRLFEPCHZZFIB-TZMCWYRMSA-N 1 0 320.483 4.094 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001218454871 1052241201 /nfs/dbraw/zinc/24/12/01/1052241201.db2.gz FHILQWBWEURUGQ-CHWSQXEVSA-N 1 0 321.289 4.059 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(O)ccc1-c1ccccc1 ZINC001218455035 1052241390 /nfs/dbraw/zinc/24/13/90/1052241390.db2.gz GBSUWQDMWJCNDN-RTBURBONSA-N 1 0 309.409 4.135 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(C(C)=O)ccc2ccccc21 ZINC001218452012 1052241567 /nfs/dbraw/zinc/24/15/67/1052241567.db2.gz NBDPBPANZXIKQZ-RTBURBONSA-N 1 0 309.409 4.118 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccccc1-c1csc(C)n1 ZINC001218455434 1052241734 /nfs/dbraw/zinc/24/17/34/1052241734.db2.gz LVZKKGKAXBVIQK-CRAIPNDOSA-N 1 0 314.454 4.194 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(-c2cccc(C#N)c2)cc1 ZINC001218457150 1052241872 /nfs/dbraw/zinc/24/18/72/1052241872.db2.gz GQXIDQDSBGTXMY-NHCUHLMSSA-N 1 0 318.420 4.301 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc2cc(F)ccc2c1 ZINC001218982432 1052265224 /nfs/dbraw/zinc/26/52/24/1052265224.db2.gz PRTGBSJPVXVVKZ-SFHVURJKSA-N 1 0 314.404 4.381 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC001219001873 1052266599 /nfs/dbraw/zinc/26/65/99/1052266599.db2.gz HBJBZQPJMNOSKK-SFHVURJKSA-N 1 0 322.452 4.341 20 30 DIEDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000487880005 1052284797 /nfs/dbraw/zinc/28/47/97/1052284797.db2.gz RJCLZQRCGFMHOH-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000303034727 1052312013 /nfs/dbraw/zinc/31/20/13/1052312013.db2.gz YCQLBBPXYOEJNK-UHFFFAOYSA-N 1 0 317.436 4.103 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000315680008 1052347905 /nfs/dbraw/zinc/34/79/05/1052347905.db2.gz BXZLTTAIUXAGJX-QZTJIDSGSA-N 1 0 308.510 4.118 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CCO1 ZINC000495437718 1052350620 /nfs/dbraw/zinc/35/06/20/1052350620.db2.gz CRMAXDZEVOGQJE-FMEYXAORSA-N 1 0 318.436 4.332 20 30 DIEDRO C=CCSc1nc2ccccc2n1C[N@@H+](C(C)C)C1CC1 ZINC000915203311 1052365932 /nfs/dbraw/zinc/36/59/32/1052365932.db2.gz ZUAYHTYNIJVOAA-UHFFFAOYSA-N 1 0 301.459 4.145 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000237823909 1052445505 /nfs/dbraw/zinc/44/55/05/1052445505.db2.gz BOQJXOOTGLNPDB-UHFFFAOYSA-N 1 0 320.392 4.405 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccn1 ZINC000609223055 1052453215 /nfs/dbraw/zinc/45/32/15/1052453215.db2.gz ZMRZEUWNRGYQKE-LJQANCHMSA-N 1 0 323.440 4.395 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000393764012 1052492162 /nfs/dbraw/zinc/49/21/62/1052492162.db2.gz ZVQPLKOXNUXUJG-DGCLKSJQSA-N 1 0 312.251 4.463 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000393764013 1052492722 /nfs/dbraw/zinc/49/27/22/1052492722.db2.gz ZVQPLKOXNUXUJG-WCQYABFASA-N 1 0 312.251 4.463 20 30 DIEDRO N#Cc1cc(-c2ccccc2Cl)ccc1OC1CC[NH2+]CC1 ZINC001222440494 1052500480 /nfs/dbraw/zinc/50/04/80/1052500480.db2.gz FSFHZIGOFULBDO-UHFFFAOYSA-N 1 0 312.800 4.009 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1cc(C[NH+]2CCCCC2)ccn1 ZINC001222637605 1052521099 /nfs/dbraw/zinc/52/10/99/1052521099.db2.gz ZLTUUOJBHCUXBC-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000153368778 1052536470 /nfs/dbraw/zinc/53/64/70/1052536470.db2.gz SHGILXSXQBXXJX-AWEZNQCLSA-N 1 0 314.454 4.395 20 30 DIEDRO Cc1ccc(OC[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000324536827 1052552931 /nfs/dbraw/zinc/55/29/31/1052552931.db2.gz IURQRPIKJQIHOM-SJORKVTESA-N 1 0 324.424 4.016 20 30 DIEDRO CC(C)(C)[NH+]1CCC(OCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001223155896 1052574163 /nfs/dbraw/zinc/57/41/63/1052574163.db2.gz WRRYVRZGZKRZEK-UHFFFAOYSA-N 1 0 314.473 4.267 20 30 DIEDRO C=C[C@@H](O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001223310286 1052586478 /nfs/dbraw/zinc/58/64/78/1052586478.db2.gz GXZNVGXYUMYTQE-LEWJYISDSA-N 1 0 318.420 4.076 20 30 DIEDRO C=C[C@H](O[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC001223310471 1052586880 /nfs/dbraw/zinc/58/68/80/1052586880.db2.gz JMLLNMDENIBBPD-YYWHXJBOSA-N 1 0 307.437 4.451 20 30 DIEDRO Cc1ccc(C)c(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000763382467 1052620894 /nfs/dbraw/zinc/62/08/94/1052620894.db2.gz VFXWMBULDSWPNO-KRWDZBQOSA-N 1 0 308.425 4.226 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000916626312 1052620932 /nfs/dbraw/zinc/62/09/32/1052620932.db2.gz JYMQLHGBMWQHFK-UHFFFAOYSA-N 1 0 311.425 4.399 20 30 DIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000763412513 1052625730 /nfs/dbraw/zinc/62/57/30/1052625730.db2.gz YHBMCKKYFJCLTF-SFTDATJTSA-N 1 0 320.436 4.127 20 30 DIEDRO C[C@@H]([C@H](O[C@@H](C#N)c1ccccc1)c1ccccc1)[NH+]1CCCC1 ZINC001223715698 1052629820 /nfs/dbraw/zinc/62/98/20/1052629820.db2.gz WXYHILRZRRVCFB-YYWHXJBOSA-N 1 0 320.436 4.493 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O[C@@H](C#N)c1ccccc1 ZINC001223712572 1052630028 /nfs/dbraw/zinc/63/00/28/1052630028.db2.gz GBSKRKMZUGYFGA-JRGCBEDISA-N 1 0 320.436 4.178 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000123660955 1052632742 /nfs/dbraw/zinc/63/27/42/1052632742.db2.gz ICDDQXSMHVWVAV-UHFFFAOYSA-N 1 0 300.402 4.290 20 30 DIEDRO C=CCOc1ccccc1COC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001223787212 1052637747 /nfs/dbraw/zinc/63/77/47/1052637747.db2.gz RGGDTFHJSLWCRU-UHFFFAOYSA-N 1 0 317.473 4.419 20 30 DIEDRO C=CCCC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125952924 1052659096 /nfs/dbraw/zinc/65/90/96/1052659096.db2.gz ZOFSHNMNJVODKE-LJQANCHMSA-N 1 0 305.425 4.219 20 30 DIEDRO C[C@@H](O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccc(F)cc1 ZINC001224009291 1052659772 /nfs/dbraw/zinc/65/97/72/1052659772.db2.gz GHFORKKEWJGDSV-QRWLVFNGSA-N 1 0 324.399 4.049 20 30 DIEDRO C[NH+](C)CC[C@H](O[C@H](C#N)c1ccccc1F)c1ccccc1 ZINC001224136438 1052671913 /nfs/dbraw/zinc/67/19/13/1052671913.db2.gz IBCFXMGCIGEQHM-RBUKOAKNSA-N 1 0 312.388 4.100 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000916975509 1052676316 /nfs/dbraw/zinc/67/63/16/1052676316.db2.gz UXHFOPFFDHMZEQ-HXUWFJFHSA-N 1 0 306.409 4.164 20 30 DIEDRO C=CCCCCCCO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224360379 1052691433 /nfs/dbraw/zinc/69/14/33/1052691433.db2.gz RLOZRAYATDVZPU-FQEVSTJZSA-N 1 0 312.457 4.286 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OCCCCCCC#N ZINC001224375861 1052692411 /nfs/dbraw/zinc/69/24/11/1052692411.db2.gz MKCFZSJQNSTASA-UYAOXDASSA-N 1 0 314.473 4.388 20 30 DIEDRO C[NH+]1CCC(CO[C@H](C#Cc2ccccc2)c2ccccc2)CC1 ZINC001224457966 1052699348 /nfs/dbraw/zinc/69/93/48/1052699348.db2.gz XDBPJUXDUGSZPY-JOCHJYFZSA-N 1 0 319.448 4.138 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCCCC2(C#N)CCC2)C1 ZINC000929963935 1052700232 /nfs/dbraw/zinc/70/02/32/1052700232.db2.gz AKMADTOBTNRNLM-CEXWTWQISA-N 1 0 317.521 4.188 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCCCC2(C#N)CCC2)C1 ZINC000929963947 1052700773 /nfs/dbraw/zinc/70/07/73/1052700773.db2.gz AKMADTOBTNRNLM-GUDVDZBRSA-N 1 0 317.521 4.188 20 30 DIEDRO C#CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCc2ccccc21 ZINC000917117597 1052703739 /nfs/dbraw/zinc/70/37/39/1052703739.db2.gz QNWLBSXYGLYGCY-HXUWFJFHSA-N 1 0 320.392 4.026 20 30 DIEDRO N#C[C@@H]1CC[C@@H](OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001224636928 1052711741 /nfs/dbraw/zinc/71/17/41/1052711741.db2.gz QZJGFVAZZXBFSM-QZTJIDSGSA-N 1 0 324.469 4.432 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OCCCCCC#N ZINC001224693043 1052716219 /nfs/dbraw/zinc/71/62/19/1052716219.db2.gz QRDXWEUBWVHYLT-IBGZPJMESA-N 1 0 314.473 4.388 20 30 DIEDRO N#CCCCCCO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224689801 1052716347 /nfs/dbraw/zinc/71/63/47/1052716347.db2.gz ITSFNULJLNLUKP-INIZCTEOSA-N 1 0 306.837 4.015 20 30 DIEDRO N#CCCCCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001224690693 1052716379 /nfs/dbraw/zinc/71/63/79/1052716379.db2.gz WKNKVDATVZDZMX-PMOLBWCYSA-N 1 0 312.457 4.283 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1CO[C@H](C#Cc1ccccc1)c1ccccc1 ZINC001224705244 1052718320 /nfs/dbraw/zinc/71/83/20/1052718320.db2.gz DRZZHKNTLVINKM-FGZHOGPDSA-N 1 0 319.448 4.280 20 30 DIEDRO C=C(CO[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224733951 1052721329 /nfs/dbraw/zinc/72/13/29/1052721329.db2.gz HPHYWIBTIGVWRI-OAQYLSRUSA-N 1 0 307.437 4.381 20 30 DIEDRO C=C(CO[C@H]1CCN2Cc3ccccc3[NH+]=C12)c1ccccc1 ZINC001224738878 1052722064 /nfs/dbraw/zinc/72/20/64/1052722064.db2.gz LWKXCZBQRGRJIA-IBGZPJMESA-N 1 0 304.393 4.035 20 30 DIEDRO C#C[C@H](OCCC[NH+](CCCC)CCCC)c1ccncc1 ZINC001224756455 1052723057 /nfs/dbraw/zinc/72/30/57/1052723057.db2.gz XMXCWIRPVDMQSC-IBGZPJMESA-N 1 0 302.462 4.065 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)OCCC[NH+]1CCCCC1 ZINC001224861580 1052731849 /nfs/dbraw/zinc/73/18/49/1052731849.db2.gz XZMQRQOYUCXZHU-KRWDZBQOSA-N 1 0 303.446 4.205 20 30 DIEDRO CC[NH+](CC)CCO[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC001224928846 1052736655 /nfs/dbraw/zinc/73/66/55/1052736655.db2.gz WQOYMYSPESNTPT-HXUWFJFHSA-N 1 0 324.424 4.402 20 30 DIEDRO c1cnc2cccc(N=NC3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000917549007 1052737750 /nfs/dbraw/zinc/73/77/50/1052737750.db2.gz UYEQABQSLBLHSB-UHFFFAOYSA-N 1 0 308.429 4.041 20 30 DIEDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225333612 1052775793 /nfs/dbraw/zinc/77/57/93/1052775793.db2.gz IORMXHSAAKEYPJ-NRFANRHFSA-N 1 0 320.436 4.477 20 30 DIEDRO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccc(C[NH+](C)C)cc2)O1 ZINC001225335278 1052776746 /nfs/dbraw/zinc/77/67/46/1052776746.db2.gz YUTTYGQTSABREN-IEBWSBKVSA-N 1 0 303.446 4.029 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)nc1 ZINC000780555951 1052799063 /nfs/dbraw/zinc/79/90/63/1052799063.db2.gz KVNQDHXLNYYJSB-UHFFFAOYSA-N 1 0 323.396 4.111 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000129906928 1052814141 /nfs/dbraw/zinc/81/41/41/1052814141.db2.gz QCMDRGJQWIXNIN-OAQYLSRUSA-N 1 0 322.452 4.040 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000918696462 1052824077 /nfs/dbraw/zinc/82/40/77/1052824077.db2.gz UIUWYCIBVUDFDY-SFHVURJKSA-N 1 0 308.510 4.214 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)CC2 ZINC000609288238 1052839060 /nfs/dbraw/zinc/83/90/60/1052839060.db2.gz ILVWPICUQMXDMP-NRFANRHFSA-N 1 0 320.436 4.455 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556410449 1052849261 /nfs/dbraw/zinc/84/92/61/1052849261.db2.gz NFETZARCNFEAEQ-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000919654826 1052880256 /nfs/dbraw/zinc/88/02/56/1052880256.db2.gz OCECDKXIAKHOCZ-ROUUACIJSA-N 1 0 323.525 4.005 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000155088680 1052888416 /nfs/dbraw/zinc/88/84/16/1052888416.db2.gz RUVGPCOCLZVXGI-YLJYHZDGSA-N 1 0 320.436 4.042 20 30 DIEDRO CC(C)CCC[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000556866153 1052890053 /nfs/dbraw/zinc/89/00/53/1052890053.db2.gz XMGLCROSPXUFHV-KRWDZBQOSA-N 1 0 313.489 4.331 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@H+](C2CC2)C2CCCC2)c1O ZINC000919940411 1052905941 /nfs/dbraw/zinc/90/59/41/1052905941.db2.gz FTJNUIUXJQSGJS-UHFFFAOYSA-N 1 0 315.457 4.426 20 30 DIEDRO Cc1cc(C#N)cc(Cl)c1OC1CC[NH+](C(C)(C)C)CC1 ZINC001226594869 1052914129 /nfs/dbraw/zinc/91/41/29/1052914129.db2.gz FHQIOULUOIEIFG-UHFFFAOYSA-N 1 0 306.837 4.162 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(Cl)c(Cl)cc1Cl ZINC001226833009 1052936023 /nfs/dbraw/zinc/93/60/23/1052936023.db2.gz XYSDOIQZOCGFRC-SECBINFHSA-N 1 0 322.643 4.014 20 30 DIEDRO Cc1cc(O[C@@H](CC[NH+](C)C)c2ccccc2)cc(C)c1C#N ZINC001226830892 1052936297 /nfs/dbraw/zinc/93/62/97/1052936297.db2.gz FBJKEJSXMDJKQW-FQEVSTJZSA-N 1 0 308.425 4.247 20 30 DIEDRO C[C@@H](N[NH+]=Cc1ccc(N2CCCCC2)s1)c1ccccc1 ZINC000920385380 1052936724 /nfs/dbraw/zinc/93/67/24/1052936724.db2.gz BNRHKXNSXPTDND-OAHLLOKOSA-N 1 0 313.470 4.423 20 30 DIEDRO Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC001226920693 1052945471 /nfs/dbraw/zinc/94/54/71/1052945471.db2.gz WISVIOGQIABLKJ-PXNSSMCTSA-N 1 0 320.436 4.156 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000920810012 1052951524 /nfs/dbraw/zinc/95/15/24/1052951524.db2.gz XGFRAQLVWMTEMH-FGTMMUONSA-N 1 0 308.510 4.211 20 30 DIEDRO C[C@@H]([C@H](Oc1ccc(F)cc1C#N)c1ccccc1)[NH+]1CCCC1 ZINC001227026586 1052954752 /nfs/dbraw/zinc/95/47/52/1052954752.db2.gz YKROJNRXHRBYJB-YWZLYKJASA-N 1 0 324.399 4.302 20 30 DIEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609433334 1052977016 /nfs/dbraw/zinc/97/70/16/1052977016.db2.gz UVNMTFZGLSQHFJ-KKSFZXQISA-N 1 0 320.436 4.415 20 30 DIEDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1C(=O)/C=C/c1ccccc1 ZINC001227435502 1052991499 /nfs/dbraw/zinc/99/14/99/1052991499.db2.gz WNGJJPOBSMXENS-ZWKQNVPVSA-N 1 0 324.444 4.056 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609823491 1052994386 /nfs/dbraw/zinc/99/43/86/1052994386.db2.gz LIBNXMIUTYWLJI-JXFKEZNVSA-N 1 0 306.409 4.083 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000378862088 1052995585 /nfs/dbraw/zinc/99/55/85/1052995585.db2.gz SFKJFYGOIBKYAJ-ONGXEEELSA-N 1 0 300.265 4.442 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000378862087 1052995593 /nfs/dbraw/zinc/99/55/93/1052995593.db2.gz SFKJFYGOIBKYAJ-MWLCHTKSSA-N 1 0 300.265 4.442 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(Cl)ccc1C#N ZINC000609891742 1052998054 /nfs/dbraw/zinc/99/80/54/1052998054.db2.gz IPZKRJNQTXCLIR-CQSZACIVSA-N 1 0 305.853 4.278 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000609915630 1052999159 /nfs/dbraw/zinc/99/91/59/1052999159.db2.gz HQWLLORTRYSUSD-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO Cc1cc(C)c(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(C)c1 ZINC000237576009 1053013333 /nfs/dbraw/zinc/01/33/33/1053013333.db2.gz ZQGDDOUKWQIGDR-QGZVFWFLSA-N 1 0 308.425 4.193 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000179603419 1053018024 /nfs/dbraw/zinc/01/80/24/1053018024.db2.gz MZJSDDKDVYOSQR-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCCC2)c1 ZINC000237836457 1053031714 /nfs/dbraw/zinc/03/17/14/1053031714.db2.gz BHTOEIRKMIOVMO-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000237848740 1053033692 /nfs/dbraw/zinc/03/36/92/1053033692.db2.gz VJUDBBCUSHDTFL-UHFFFAOYSA-N 1 0 319.326 4.007 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CC=CCC3)c2)c1 ZINC000237849040 1053033755 /nfs/dbraw/zinc/03/37/55/1053033755.db2.gz VCZJOUSMCGLQQJ-HXUWFJFHSA-N 1 0 318.420 4.336 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000179888595 1053034888 /nfs/dbraw/zinc/03/48/88/1053034888.db2.gz HJBBTWANNFRKTC-CYBMUJFWSA-N 1 0 319.326 4.113 20 30 DIEDRO C[C@@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1)OCc1ccccc1 ZINC000616114097 1053046087 /nfs/dbraw/zinc/04/60/87/1053046087.db2.gz OZTLRPYCWLFENA-IRXDYDNUSA-N 1 0 308.425 4.204 20 30 DIEDRO Cc1cc(O[C@@H](CC[NH+](C)C)c2cccs2)c(C)cc1C#N ZINC001228147323 1053047665 /nfs/dbraw/zinc/04/76/65/1053047665.db2.gz MSTZAANERMFSHB-INIZCTEOSA-N 1 0 314.454 4.308 20 30 DIEDRO Cc1cc(O[C@H](CC[NH+](C)C)c2ccccc2)c(C)cc1C#N ZINC001228146993 1053047670 /nfs/dbraw/zinc/04/76/70/1053047670.db2.gz IIUWRUKGFHNZBH-LJQANCHMSA-N 1 0 308.425 4.247 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1F ZINC000180267240 1053050807 /nfs/dbraw/zinc/05/08/07/1053050807.db2.gz WZSHZVNNRFHYGW-HNNXBMFYSA-N 1 0 314.857 4.413 20 30 DIEDRO COc1ccc(Cl)c(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000616770537 1053071575 /nfs/dbraw/zinc/07/15/75/1053071575.db2.gz UXDULZVOVHHPJJ-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2cccc3ccc(C#N)nc32)CC1(C)C ZINC001228409065 1053095329 /nfs/dbraw/zinc/09/53/29/1053095329.db2.gz PFVSYDQXZBSOHH-UHFFFAOYSA-N 1 0 323.440 4.137 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OCC ZINC000069060672 1053108976 /nfs/dbraw/zinc/10/89/76/1053108976.db2.gz APHSTLJYHDFTMG-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO CC[N@@H+]1CC[C@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)C1 ZINC001228498215 1053119313 /nfs/dbraw/zinc/11/93/13/1053119313.db2.gz LLIBOHPTLZJYCY-IMTHGLKYSA-N 1 0 321.420 4.056 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c(OC)c1 ZINC001317701325 1053126773 /nfs/dbraw/zinc/12/67/73/1053126773.db2.gz JKUAOLFOPUFZQX-IAGOWNOFSA-N 1 0 315.457 4.141 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c(O)c(OC)c1 ZINC001317701326 1053126776 /nfs/dbraw/zinc/12/67/76/1053126776.db2.gz JKUAOLFOPUFZQX-IRXDYDNUSA-N 1 0 315.457 4.141 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)C2 ZINC000181148082 1053145751 /nfs/dbraw/zinc/14/57/51/1053145751.db2.gz LNNODQFLOPPMRA-CKJXQJPGSA-N 1 0 320.436 4.309 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000615229143 1053182404 /nfs/dbraw/zinc/18/24/04/1053182404.db2.gz RPLGRXKMXNTNMW-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO C#CC[C@H](CC)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228829718 1053187644 /nfs/dbraw/zinc/18/76/44/1053187644.db2.gz LEKYFWRWDTUPBD-INIZCTEOSA-N 1 0 310.441 4.158 20 30 DIEDRO Cc1ccc(C[NH2+]CC(C)(C)CCC#N)c(OCC2CC2)c1 ZINC000088745540 1053194433 /nfs/dbraw/zinc/19/44/33/1053194433.db2.gz RGOQQVYXWZNEPO-UHFFFAOYSA-N 1 0 300.446 4.203 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cccc(C#N)c1 ZINC000181398847 1053201681 /nfs/dbraw/zinc/20/16/81/1053201681.db2.gz BPSYAHKWNOOHHK-APWZRJJASA-N 1 0 323.440 4.029 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728351 1053212182 /nfs/dbraw/zinc/21/21/82/1053212182.db2.gz ASSRTRHTWQISQP-QWHCGFSZSA-N 1 0 319.836 4.123 20 30 DIEDRO C[C@H]([NH2+]CCCCOc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000181479417 1053220559 /nfs/dbraw/zinc/22/05/59/1053220559.db2.gz YUTYBWGLHFZYNU-HNNXBMFYSA-N 1 0 312.388 4.207 20 30 DIEDRO C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1cccc(C#N)c1 ZINC000181489006 1053222645 /nfs/dbraw/zinc/22/26/45/1053222645.db2.gz ZVDOWOIGHGCYPO-HNNXBMFYSA-N 1 0 321.424 4.125 20 30 DIEDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC001319241096 1053230763 /nfs/dbraw/zinc/23/07/63/1053230763.db2.gz WJHQVWFEDVQFOE-CVEARBPZSA-N 1 0 302.487 4.204 20 30 DIEDRO C[C@H]([NH2+]CCCCOCCc1ccccc1)c1cccc(C#N)c1 ZINC000181534808 1053235014 /nfs/dbraw/zinc/23/50/14/1053235014.db2.gz ZXAQXIGWEPXSBO-SFHVURJKSA-N 1 0 322.452 4.248 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Nc2ccccc2)CC1 ZINC001319370002 1053238847 /nfs/dbraw/zinc/23/88/47/1053238847.db2.gz FTTCADVMVYOFMV-INIZCTEOSA-N 1 0 305.425 4.196 20 30 DIEDRO C[C@H]([NH2+]CCCCN(C)c1ccccc1)c1cccc(C#N)c1 ZINC000181553340 1053242261 /nfs/dbraw/zinc/24/22/61/1053242261.db2.gz FGGHEIPOFGQMEM-KRWDZBQOSA-N 1 0 307.441 4.125 20 30 DIEDRO CC[C@H]([NH2+]CCCCC#N)c1cc(F)cc(Br)c1 ZINC000181683343 1053276875 /nfs/dbraw/zinc/27/68/75/1053276875.db2.gz HJTZSIJRSUGHLR-AWEZNQCLSA-N 1 0 313.214 4.323 20 30 DIEDRO COc1ccccc1C1([NH2+][C@H](C)c2cccc(C#N)c2)CCC1 ZINC001319855963 1053281368 /nfs/dbraw/zinc/28/13/68/1053281368.db2.gz DZYIJCZILZUDQV-OAHLLOKOSA-N 1 0 306.409 4.297 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)CC1 ZINC000181716926 1053284035 /nfs/dbraw/zinc/28/40/35/1053284035.db2.gz IADDCYXTOPYXCY-ZDUSSCGKSA-N 1 0 318.848 4.387 20 30 DIEDRO CC(C)C1CCC([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000763500270 1053285508 /nfs/dbraw/zinc/28/55/08/1053285508.db2.gz BLOCULIOKJBPNJ-FAEJEUNOSA-N 1 0 300.446 4.282 20 30 DIEDRO COCC[N@H+](CCCCC(C)(C)C#N)Cc1ccc(C)cc1C ZINC000618276740 1053290603 /nfs/dbraw/zinc/29/06/03/1053290603.db2.gz PLEKXOKUBKHUHT-UHFFFAOYSA-N 1 0 316.489 4.472 20 30 DIEDRO Cc1cccc([C@@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181801081 1053292891 /nfs/dbraw/zinc/29/28/91/1053292891.db2.gz GHUAVEZWGVSODE-IRXDYDNUSA-N 1 0 308.425 4.352 20 30 DIEDRO C=CCc1ccc(O)c(OC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001229342264 1053303214 /nfs/dbraw/zinc/30/32/14/1053303214.db2.gz QEMLVGPBSNZRLM-UHFFFAOYSA-N 1 0 323.436 4.164 20 30 DIEDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(/C=N/c2ccc(F)cc2)cc1 ZINC001229357354 1053306368 /nfs/dbraw/zinc/30/63/68/1053306368.db2.gz SWRJZAUSMDLLJR-PCXKXAPESA-N 1 0 315.412 4.050 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1Br ZINC001236860330 1053311540 /nfs/dbraw/zinc/31/15/40/1053311540.db2.gz HCOWJUBYTPJORF-CJNGLKHVSA-N 1 0 319.246 4.085 20 30 DIEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C1 ZINC001229428324 1053317325 /nfs/dbraw/zinc/31/73/25/1053317325.db2.gz IDPPLRVHZXLUFB-ZTVSIKPCSA-N 1 0 321.420 4.056 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C1 ZINC001229427923 1053318870 /nfs/dbraw/zinc/31/88/70/1053318870.db2.gz DZPAFIJHEXIBOA-VHNWJRSRSA-N 1 0 321.420 4.056 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000618578598 1053324690 /nfs/dbraw/zinc/32/46/90/1053324690.db2.gz IINVKHKDVUJFBA-ZBFHGGJFSA-N 1 0 318.411 4.449 20 30 DIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000618568323 1053325846 /nfs/dbraw/zinc/32/58/46/1053325846.db2.gz QBDDRVKQQJYICC-VKJFTORMSA-N 1 0 318.436 4.291 20 30 DIEDRO Cc1cccc(C)c1CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000182026085 1053329120 /nfs/dbraw/zinc/32/91/20/1053329120.db2.gz FXSPLLNACRKOQS-KRWDZBQOSA-N 1 0 308.425 4.099 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCC(C)C)ccc1C#N ZINC001200046407 1053331464 /nfs/dbraw/zinc/33/14/64/1053331464.db2.gz PLEOQQGFSOLCAP-FUHWJXTLSA-N 1 0 300.446 4.261 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)Cc2ccc(C)cc2)c1 ZINC001320576661 1053345990 /nfs/dbraw/zinc/34/59/90/1053345990.db2.gz DNUPDBHQDZSYAT-PXNSSMCTSA-N 1 0 322.452 4.397 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001320591031 1053347912 /nfs/dbraw/zinc/34/79/12/1053347912.db2.gz BAOVCUVHKSBONF-ABAIWWIYSA-N 1 0 320.433 4.109 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001320591032 1053348504 /nfs/dbraw/zinc/34/85/04/1053348504.db2.gz BAOVCUVHKSBONF-IAQYHMDHSA-N 1 0 320.433 4.109 20 30 DIEDRO C#CCCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC001320681677 1053353801 /nfs/dbraw/zinc/35/38/01/1053353801.db2.gz VKTWKEPUMBRYHL-AWEZNQCLSA-N 1 0 312.638 4.093 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC001561003657 1053355898 /nfs/dbraw/zinc/35/58/98/1053355898.db2.gz FFAUGUFHBMKFPU-UHFFFAOYSA-N 1 0 323.198 4.336 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(Cl)c1F ZINC000618742662 1053357023 /nfs/dbraw/zinc/35/70/23/1053357023.db2.gz ONIOWJBBIITHRQ-INIZCTEOSA-N 1 0 300.764 4.128 20 30 DIEDRO C[N@H+](CCc1ccc(Br)cc1)CC(C)(C)CCC#N ZINC000093006400 1053357432 /nfs/dbraw/zinc/35/74/32/1053357432.db2.gz BRZMLZYUGXREDL-UHFFFAOYSA-N 1 0 323.278 4.253 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000618741681 1053358111 /nfs/dbraw/zinc/35/81/11/1053358111.db2.gz KKHHOBLKEBLZQW-QGZVFWFLSA-N 1 0 316.326 4.354 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001545710323 1053360786 /nfs/dbraw/zinc/36/07/86/1053360786.db2.gz XSBDZTUHXWLWDM-GVDBMIGSSA-N 1 0 308.510 4.115 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618801461 1053366925 /nfs/dbraw/zinc/36/69/25/1053366925.db2.gz AZQCBSPJWXUPMP-HOTGVXAUSA-N 1 0 323.465 4.232 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+]C1CC(C#N)(c3ccccc3)C1)CCC2 ZINC001320869874 1053369518 /nfs/dbraw/zinc/36/95/18/1053369518.db2.gz BCMYUDIVPLTRIQ-RMXPPQQLSA-N 1 0 323.465 4.043 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC)cc1 ZINC000618806624 1053370137 /nfs/dbraw/zinc/37/01/37/1053370137.db2.gz QOGCJURJLCSUBE-VQTJNVASSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618806765 1053370273 /nfs/dbraw/zinc/37/02/73/1053370273.db2.gz RSMIHBLNMCUSAD-XOBRGWDASA-N 1 0 308.400 4.296 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)ccc1F ZINC000618805634 1053370458 /nfs/dbraw/zinc/37/04/58/1053370458.db2.gz JAFCXQCDTVGBRQ-XIKOKIGWSA-N 1 0 310.372 4.044 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)ccc1F ZINC000618805619 1053370541 /nfs/dbraw/zinc/37/05/41/1053370541.db2.gz JAFCXQCDTVGBRQ-KPZWWZAWSA-N 1 0 310.372 4.044 20 30 DIEDRO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804664 1053370624 /nfs/dbraw/zinc/37/06/24/1053370624.db2.gz LOIZTJBRIAJNJC-VLIAUNLRSA-N 1 0 308.400 4.296 20 30 DIEDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804756 1053370641 /nfs/dbraw/zinc/37/06/41/1053370641.db2.gz LTVRXZHLOIPYSU-LIRRHRJNSA-N 1 0 306.409 4.213 20 30 DIEDRO CCCCCCCCCCCC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001545872939 1053370764 /nfs/dbraw/zinc/37/07/64/1053370764.db2.gz BWALLLDPDMDGIQ-QZTJIDSGSA-N 1 0 310.526 4.458 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2ccccc2n1 ZINC000618806103 1053370792 /nfs/dbraw/zinc/37/07/92/1053370792.db2.gz PMCNBUSBROHLKH-SPLOXXLWSA-N 1 0 313.404 4.445 20 30 DIEDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C[C@H]1c1ccccc1 ZINC000618804645 1053370984 /nfs/dbraw/zinc/37/09/84/1053370984.db2.gz LLFJBGGINWGVKO-RKTMXUFFSA-N 1 0 302.421 4.327 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000618805569 1053371156 /nfs/dbraw/zinc/37/11/56/1053371156.db2.gz OOKIWFZDWMQDQO-ROUUACIJSA-N 1 0 310.347 4.101 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000618804655 1053371244 /nfs/dbraw/zinc/37/12/44/1053371244.db2.gz BWUBSYPNFZCCCS-VQTJNVASSA-N 1 0 306.384 4.352 20 30 DIEDRO C[C@@H]1[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 ZINC000618804638 1053371319 /nfs/dbraw/zinc/37/13/19/1053371319.db2.gz LLFJBGGINWGVKO-FXLVCCLPSA-N 1 0 302.421 4.327 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618805255 1053371412 /nfs/dbraw/zinc/37/14/12/1053371412.db2.gz FPZTYYWMJHBGTJ-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000618805567 1053371492 /nfs/dbraw/zinc/37/14/92/1053371492.db2.gz OOKIWFZDWMQDQO-QZTJIDSGSA-N 1 0 310.347 4.101 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000618804769 1053371549 /nfs/dbraw/zinc/37/15/49/1053371549.db2.gz MFLOFYUBMOLHFE-SFTDATJTSA-N 1 0 313.404 4.084 20 30 DIEDRO C=CCO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001320897161 1053372107 /nfs/dbraw/zinc/37/21/07/1053372107.db2.gz BKWMZBLNBNXNOG-FQEVSTJZSA-N 1 0 318.420 4.002 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc2c(s1)CCC2 ZINC000618808218 1053373133 /nfs/dbraw/zinc/37/31/33/1053373133.db2.gz ZQXCARHNSXMRMN-YVEFUNNKSA-N 1 0 308.450 4.447 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618805975 1053373569 /nfs/dbraw/zinc/37/35/69/1053373569.db2.gz LNESQDKWDDVCKA-BFUOFWGJSA-N 1 0 321.380 4.113 20 30 DIEDRO Cc1ccccc1C1CC([NH2+][C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618808246 1053373894 /nfs/dbraw/zinc/37/38/94/1053373894.db2.gz ZXBVZJGBLPMELW-WIXQSORDSA-N 1 0 302.421 4.390 20 30 DIEDRO C=C[C@]1(C)CC[C@H](Oc2ccc(CC[NH+](C)C)cc2)C(C)(C)O1 ZINC001229659833 1053376102 /nfs/dbraw/zinc/37/61/02/1053376102.db2.gz LTSVENSDFAXYOP-AZUAARDMSA-N 1 0 317.473 4.072 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC001320967435 1053378105 /nfs/dbraw/zinc/37/81/05/1053378105.db2.gz HAUKDBCWOQBFOX-ZDUSSCGKSA-N 1 0 319.351 4.002 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001320967554 1053379273 /nfs/dbraw/zinc/37/92/73/1053379273.db2.gz IQBSLAQHYHRRJH-AWEZNQCLSA-N 1 0 317.816 4.377 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)COc1ccccc1F)c1ccc(C#N)cc1 ZINC001321014036 1053380046 /nfs/dbraw/zinc/38/00/46/1053380046.db2.gz BXAFPAHZVWEDBF-KDOFPFPSSA-N 1 0 312.388 4.206 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000618888466 1053390091 /nfs/dbraw/zinc/39/00/91/1053390091.db2.gz UIHVBWVWVPGQKD-ROUUACIJSA-N 1 0 313.489 4.179 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC001321356152 1053408817 /nfs/dbraw/zinc/40/88/17/1053408817.db2.gz VXMUYPWTVMCQIB-CQSZACIVSA-N 1 0 312.438 4.162 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccccc2/C=N/c2ccccc2O)CC1 ZINC001229932128 1053434546 /nfs/dbraw/zinc/43/45/46/1053434546.db2.gz AGVSLOJMWIJWMJ-LBSLPOPVSA-N 1 0 324.424 4.006 20 30 DIEDRO CC[C@H]([NH2+]CCCCOc1ccccc1)c1ccc(C#N)cc1 ZINC001322119709 1053460533 /nfs/dbraw/zinc/46/05/33/1053460533.db2.gz KDHSLGKTYCYPJO-FQEVSTJZSA-N 1 0 308.425 4.458 20 30 DIEDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000619428452 1053493183 /nfs/dbraw/zinc/49/31/83/1053493183.db2.gz OXSMHDLBDRYXGL-UXHICEINSA-N 1 0 320.436 4.272 20 30 DIEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cc2)C1 ZINC001230252796 1053505522 /nfs/dbraw/zinc/50/55/22/1053505522.db2.gz ICLINZOZRXUJTR-OAQYLSRUSA-N 1 0 318.420 4.089 20 30 DIEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cc2)C1 ZINC001230252786 1053505719 /nfs/dbraw/zinc/50/57/19/1053505719.db2.gz ICLINZOZRXUJTR-NRFANRHFSA-N 1 0 318.420 4.089 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000619535346 1053506669 /nfs/dbraw/zinc/50/66/69/1053506669.db2.gz YNOHRQQRJJWXAS-CHWSQXEVSA-N 1 0 310.363 4.481 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@@H](C)CC2)cc(OC)c1OC ZINC001200267300 1053512957 /nfs/dbraw/zinc/51/29/57/1053512957.db2.gz DWKXLKKYCHCXLP-QAPCUYQASA-N 1 0 317.473 4.491 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)ccc1C#N ZINC000619654381 1053525722 /nfs/dbraw/zinc/52/57/22/1053525722.db2.gz FKYOPBNEKDLZQY-XCLFUZPHSA-N 1 0 324.399 4.119 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000619724370 1053541539 /nfs/dbraw/zinc/54/15/39/1053541539.db2.gz KSTBDIAFHWJTGL-RHSMWYFYSA-N 1 0 304.384 4.351 20 30 DIEDRO C[C@H](CCc1ccccc1F)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754732 1053546018 /nfs/dbraw/zinc/54/60/18/1053546018.db2.gz JGTOATOAWFDNSL-CYBMUJFWSA-N 1 0 316.807 4.462 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000619754703 1053546183 /nfs/dbraw/zinc/54/61/83/1053546183.db2.gz IPPDEVUTDHENOC-SECBINFHSA-N 1 0 324.733 4.480 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1Cl ZINC000619754822 1053546968 /nfs/dbraw/zinc/54/69/68/1053546968.db2.gz LJEUIMRVQLZKCO-HNNXBMFYSA-N 1 0 302.830 4.440 20 30 DIEDRO CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755273 1053547155 /nfs/dbraw/zinc/54/71/55/1053547155.db2.gz VKGDMPVXCGZRDX-AWEZNQCLSA-N 1 0 304.846 4.384 20 30 DIEDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000619754940 1053547418 /nfs/dbraw/zinc/54/74/18/1053547418.db2.gz OYSCOMUXNMGIDN-IXDGSTSKSA-N 1 0 310.828 4.493 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1Cl ZINC000619754951 1053547686 /nfs/dbraw/zinc/54/76/86/1053547686.db2.gz PCWCJMGMHXMYSD-UHFFFAOYSA-N 1 0 318.848 4.041 20 30 DIEDRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755324 1053547784 /nfs/dbraw/zinc/54/77/84/1053547784.db2.gz XDGWIAZIGDZCCM-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619755838 1053548071 /nfs/dbraw/zinc/54/80/71/1053548071.db2.gz VSOHDQGIQUSLRH-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619748621 1053553713 /nfs/dbraw/zinc/55/37/13/1053553713.db2.gz PBYKEWMPEZXLJO-UHFFFAOYSA-N 1 0 312.800 4.066 20 30 DIEDRO COc1ccccc1/C=C\C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748411 1053554769 /nfs/dbraw/zinc/55/47/69/1053554769.db2.gz KKJZOKNWXGHAEV-XQRVVYSFSA-N 1 0 312.800 4.023 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccsc1 ZINC000619783777 1053558734 /nfs/dbraw/zinc/55/87/34/1053558734.db2.gz XYXDLWHSEGEKRU-JTQLQIEISA-N 1 0 308.353 4.072 20 30 DIEDRO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000152973480 1053564030 /nfs/dbraw/zinc/56/40/30/1053564030.db2.gz FQXCPMBDOWXXQN-CYBMUJFWSA-N 1 0 310.844 4.170 20 30 DIEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619847407 1053569234 /nfs/dbraw/zinc/56/92/34/1053569234.db2.gz YQVVSBSULGDEPX-ZDUSSCGKSA-N 1 0 314.816 4.028 20 30 DIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619847405 1053569279 /nfs/dbraw/zinc/56/92/79/1053569279.db2.gz YQVVSBSULGDEPX-CYBMUJFWSA-N 1 0 314.816 4.028 20 30 DIEDRO Cc1cc(C#N)ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001230682584 1053579567 /nfs/dbraw/zinc/57/95/67/1053579567.db2.gz OJBXBDPXYSWPPP-LAUBAEHRSA-N 1 0 320.436 4.156 20 30 DIEDRO C[C@@H](COc1ccccc1F)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC001323427611 1053580049 /nfs/dbraw/zinc/58/00/49/1053580049.db2.gz KVIDDFTVGVUYRG-IFXJQAMLSA-N 1 0 324.399 4.132 20 30 DIEDRO C[C@H](COc1ccccc1F)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC001323427614 1053580091 /nfs/dbraw/zinc/58/00/91/1053580091.db2.gz KVIDDFTVGVUYRG-KUHUBIRLSA-N 1 0 324.399 4.132 20 30 DIEDRO CCCCCCOc1ccc(O[C@H](CC#N)C[N+](C)(C)C)cc1 ZINC001230677724 1053580567 /nfs/dbraw/zinc/58/05/67/1053580567.db2.gz ZJQOXWDTFDAQPM-LJQANCHMSA-N 1 0 319.469 4.013 20 30 DIEDRO C[C@@H](COc1ccccc1F)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC001323427619 1053580691 /nfs/dbraw/zinc/58/06/91/1053580691.db2.gz KVIDDFTVGVUYRG-LIRRHRJNSA-N 1 0 324.399 4.132 20 30 DIEDRO C=CCc1cccc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c1 ZINC001231011287 1053651136 /nfs/dbraw/zinc/65/11/36/1053651136.db2.gz YABFCGDJRYFBST-QFBILLFUSA-N 1 0 308.425 4.024 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC001324554827 1053663764 /nfs/dbraw/zinc/66/37/64/1053663764.db2.gz NPRQPOYAWPKADC-BPUAMTIHSA-N 1 0 320.411 4.285 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001324841540 1053682420 /nfs/dbraw/zinc/68/24/20/1053682420.db2.gz MPVSQDDBPUMGSX-UXHICEINSA-N 1 0 306.409 4.015 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC001325620045 1053724040 /nfs/dbraw/zinc/72/40/40/1053724040.db2.gz OBWBPCVUCKVOPJ-SWLSCSKDSA-N 1 0 305.418 4.406 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000620756948 1053728158 /nfs/dbraw/zinc/72/81/58/1053728158.db2.gz WPRJYWZFGHKRJW-UHFFFAOYSA-N 1 0 321.342 4.431 20 30 DIEDRO C=C(C[NH2+]Cc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000620756502 1053729257 /nfs/dbraw/zinc/72/92/57/1053729257.db2.gz GIUAGHZCZPVBCS-UHFFFAOYSA-N 1 0 307.315 4.388 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC(C)C)c(OC)c1)c1ccccc1 ZINC000620757856 1053729819 /nfs/dbraw/zinc/72/98/19/1053729819.db2.gz SEQAOAATUJKDBT-UHFFFAOYSA-N 1 0 311.425 4.285 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c(Cl)ccc(Cl)c1Cl ZINC001231339202 1053732249 /nfs/dbraw/zinc/73/22/49/1053732249.db2.gz HJHFBOVPTQHKPH-SECBINFHSA-N 1 0 322.643 4.014 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)cc1 ZINC000154430954 1053736242 /nfs/dbraw/zinc/73/62/42/1053736242.db2.gz DIPVQQVGHFRTGV-AWEZNQCLSA-N 1 0 315.388 4.250 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)s1 ZINC001231500201 1053772349 /nfs/dbraw/zinc/77/23/49/1053772349.db2.gz TUIZGOKUHKOWNC-UHFFFAOYSA-N 1 0 310.466 4.368 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC001326446343 1053783694 /nfs/dbraw/zinc/78/36/94/1053783694.db2.gz MBKQGUGOCDIOOQ-XRTORIHISA-N 1 0 320.461 4.089 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578073 1053788885 /nfs/dbraw/zinc/78/88/85/1053788885.db2.gz IOQLRAOPGVIUMW-HXUWFJFHSA-N 1 0 314.432 4.212 20 30 DIEDRO CCOC1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231577729 1053789810 /nfs/dbraw/zinc/78/98/10/1053789810.db2.gz AGPYOSWKWMBZMF-UHFFFAOYSA-N 1 0 319.448 4.087 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1[nH]nc2cc(Br)ccc21 ZINC001231617449 1053801411 /nfs/dbraw/zinc/80/14/11/1053801411.db2.gz DXUARUZSJSGRCS-UHFFFAOYSA-N 1 0 322.250 4.114 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001231619615 1053805426 /nfs/dbraw/zinc/80/54/26/1053805426.db2.gz FMJDZFPTZONKAL-IBGZPJMESA-N 1 0 320.436 4.337 20 30 DIEDRO C=CCOc1cccc(C[N@H+](C)CC/C=C/c2cccnc2)c1 ZINC001231624696 1053807262 /nfs/dbraw/zinc/80/72/62/1053807262.db2.gz VFOSNRBCYSZRNA-XBXARRHUSA-N 1 0 308.425 4.182 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC(c3cccc(OC)c3)CC2)c1 ZINC001231660973 1053825459 /nfs/dbraw/zinc/82/54/59/1053825459.db2.gz MGPZBZFGAMZFGV-UHFFFAOYSA-N 1 0 305.421 4.056 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc1 ZINC001200623073 1053825837 /nfs/dbraw/zinc/82/58/37/1053825837.db2.gz UGLQKZCGCGRMSF-IFXJQAMLSA-N 1 0 313.828 4.187 20 30 DIEDRO C#Cc1cccc(C[N@H+]2CCC[C@@H](c3cccc(OC)c3)C2)c1 ZINC001231661764 1053826751 /nfs/dbraw/zinc/82/67/51/1053826751.db2.gz ZCFYLTDFZZKHEV-HXUWFJFHSA-N 1 0 305.421 4.056 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1ccccc1C)c1ccc(Cl)cc1F ZINC001327256370 1053845772 /nfs/dbraw/zinc/84/57/72/1053845772.db2.gz YPOBJZSRWFIBMV-OAHLLOKOSA-N 1 0 315.779 4.098 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC001327680701 1053871283 /nfs/dbraw/zinc/87/12/83/1053871283.db2.gz SIPKTNIVQRLMHN-UHFFFAOYSA-N 1 0 304.437 4.266 20 30 DIEDRO C=CCc1cc(C[N@H+](C)[C@H](C)c2cccs2)cc(OC)c1O ZINC000157817418 1053872844 /nfs/dbraw/zinc/87/28/44/1053872844.db2.gz GVHSHWARCFCUGZ-CYBMUJFWSA-N 1 0 317.454 4.384 20 30 DIEDRO Cc1cc(C)c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(O)c1 ZINC001231846089 1053891270 /nfs/dbraw/zinc/89/12/70/1053891270.db2.gz AOTQDYBATCACMY-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO CN(Cc1ccc(C#N)c(Cl)c1)Cc1ccc(F)cc1F ZINC001232117097 1053964407 /nfs/dbraw/zinc/96/44/07/1053964407.db2.gz UXBIBPHGMKJZEG-UHFFFAOYSA-N 1 0 306.743 4.122 20 30 DIEDRO C=CCC[N@H+](Cc1cnc(-c2cccnc2)o1)Cc1ccccc1 ZINC001232140392 1053970793 /nfs/dbraw/zinc/97/07/93/1053970793.db2.gz XUZGTLZNJCAPHI-UHFFFAOYSA-N 1 0 319.408 4.315 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)nc1C)C1CCCCC1 ZINC001232326029 1054021023 /nfs/dbraw/zinc/02/10/23/1054021023.db2.gz FLWVACDWQNEQQU-UHFFFAOYSA-N 1 0 323.278 4.473 20 30 DIEDRO C=C(C)CCC(=O)N(CC[NH+](CC)CC)c1ccc(Cl)cc1 ZINC001437469731 1054050402 /nfs/dbraw/zinc/05/04/02/1054050402.db2.gz YVPVDEMZLATOTN-UHFFFAOYSA-N 1 0 322.880 4.371 20 30 DIEDRO N#Cc1ccnc(CN2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001232479177 1054054134 /nfs/dbraw/zinc/05/41/34/1054054134.db2.gz NZFUVPCYHHZOFY-ZDUSSCGKSA-N 1 0 303.818 4.005 20 30 DIEDRO Cc1cccc(F)c1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001232484261 1054056493 /nfs/dbraw/zinc/05/64/93/1054056493.db2.gz ZRVOEPFPKDIMIJ-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO CC(C)c1cc([C@@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)[nH]n1 ZINC001331173897 1054063531 /nfs/dbraw/zinc/06/35/31/1054063531.db2.gz UFTDUQPGHLDIPU-OAHLLOKOSA-N 1 0 302.466 4.042 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CC[C@H](c2ccccc2F)C1 ZINC001232608963 1054079532 /nfs/dbraw/zinc/07/95/32/1054079532.db2.gz CSDXTPFMDVAKMQ-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cnn(C(C)C)c21)c1cccc(C#N)c1 ZINC001331984951 1054104304 /nfs/dbraw/zinc/10/43/04/1054104304.db2.gz TYAGBMFGSCKHLO-MOPGFXCFSA-N 1 0 322.456 4.454 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000122863475 1054105689 /nfs/dbraw/zinc/10/56/89/1054105689.db2.gz OFYALSXCNXHZBK-ZDUSSCGKSA-N 1 0 316.351 4.353 20 30 DIEDRO N#CCC[N@@H+](Cc1ccc(CCO)cc1)C1CCCCCCC1 ZINC001232778028 1054117673 /nfs/dbraw/zinc/11/76/73/1054117673.db2.gz PXUOQJBEFDTCRC-UHFFFAOYSA-N 1 0 314.473 4.050 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCc2ccc(Cl)cc21 ZINC001232846421 1054129884 /nfs/dbraw/zinc/12/98/84/1054129884.db2.gz HIGMDDHTOBPJFP-LBPRGKRZSA-N 1 0 316.857 4.435 20 30 DIEDRO Cc1cc(O)cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c1 ZINC001232884590 1054138229 /nfs/dbraw/zinc/13/82/29/1054138229.db2.gz PYUDAFULIDPFHY-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000848543537 1054140796 /nfs/dbraw/zinc/14/07/96/1054140796.db2.gz GZJZSNFILDTZGX-OXJNMPFZSA-N 1 0 322.452 4.090 20 30 DIEDRO N#Cc1ccc(F)cc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001232889904 1054141654 /nfs/dbraw/zinc/14/16/54/1054141654.db2.gz SBNKNKQMGHCWGU-UHFFFAOYSA-N 1 0 318.395 4.258 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232888181 1054141773 /nfs/dbraw/zinc/14/17/73/1054141773.db2.gz DYUVAEWCSYXFAV-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001232892640 1054141873 /nfs/dbraw/zinc/14/18/73/1054141873.db2.gz CGOVOXWLXODYQL-KRWDZBQOSA-N 1 0 308.400 4.467 20 30 DIEDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232894761 1054143591 /nfs/dbraw/zinc/14/35/91/1054143591.db2.gz DEGRNADRQJITBJ-LBPRGKRZSA-N 1 0 307.235 4.085 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)ccc1Br ZINC001232899722 1054144555 /nfs/dbraw/zinc/14/45/55/1054144555.db2.gz UOAKZWGJBMHJQB-CJNGLKHVSA-N 1 0 319.246 4.085 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cc1 ZINC000848557722 1054149765 /nfs/dbraw/zinc/14/97/65/1054149765.db2.gz LESODXPQFVMZTL-IRXDYDNUSA-N 1 0 308.828 4.282 20 30 DIEDRO N#Cc1cccc(CN2CCC[C@H]2c2ccc(Cl)s2)n1 ZINC001232924589 1054149908 /nfs/dbraw/zinc/14/99/08/1054149908.db2.gz MDLGMVXETROKGS-ZDUSSCGKSA-N 1 0 303.818 4.005 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc4ncoc4c3)CC2)c1 ZINC001232942911 1054151999 /nfs/dbraw/zinc/15/19/99/1054151999.db2.gz OIJYNAORTIXXLM-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc4ncoc4c3)CC2)cc1 ZINC001232943435 1054152778 /nfs/dbraw/zinc/15/27/78/1054152778.db2.gz DVBJHBKHXXCQBP-UHFFFAOYSA-N 1 0 317.392 4.079 20 30 DIEDRO CC(C)c1ncc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000848568327 1054153280 /nfs/dbraw/zinc/15/32/80/1054153280.db2.gz GESVFFIMRJTGTF-UHFFFAOYSA-N 1 0 311.454 4.307 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)cc1 ZINC000848574766 1054156550 /nfs/dbraw/zinc/15/65/50/1054156550.db2.gz HYRMDBYIAVMMQB-KGLIPLIRSA-N 1 0 322.399 4.281 20 30 DIEDRO CC[N@H+](Cc1ccc(C)cc1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC001232962131 1054158940 /nfs/dbraw/zinc/15/89/40/1054158940.db2.gz JXWPZYJKGBWFKH-QGZVFWFLSA-N 1 0 322.452 4.328 20 30 DIEDRO COc1cccc([C@H]2CCC[N@H+](Cc3ccc(C)cc3C#N)C2)c1 ZINC001232968353 1054161218 /nfs/dbraw/zinc/16/12/18/1054161218.db2.gz HHXFXXJNLFNZAU-SFHVURJKSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001233079495 1054182700 /nfs/dbraw/zinc/18/27/00/1054182700.db2.gz FPSGMFJMDSKENV-UHFFFAOYSA-N 1 0 316.448 4.347 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)c1 ZINC001233082787 1054183619 /nfs/dbraw/zinc/18/36/19/1054183619.db2.gz ZUUYXVCJMGWWEU-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(Cl)o3)CC2)cc1 ZINC001233317038 1054228982 /nfs/dbraw/zinc/22/89/82/1054228982.db2.gz RXQSSNFVTSTXHV-UHFFFAOYSA-N 1 0 300.789 4.184 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(Cc3ccccc3)cc2)CC1 ZINC001233331330 1054235546 /nfs/dbraw/zinc/23/55/46/1054235546.db2.gz QGTJMMCLQIAHLD-UHFFFAOYSA-N 1 0 304.437 4.403 20 30 DIEDRO C[C@@H]([NH2+]CCc1coc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC001337265021 1054261693 /nfs/dbraw/zinc/26/16/93/1054261693.db2.gz WRHNWDRXUFLSLW-OAHLLOKOSA-N 1 0 317.392 4.107 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC001356063526 1054272606 /nfs/dbraw/zinc/27/26/06/1054272606.db2.gz UZBCVOZIPIGWSF-RGPMPMONSA-N 1 0 312.482 4.342 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2nc(Cl)ccc2c1 ZINC001233444907 1054272420 /nfs/dbraw/zinc/27/24/20/1054272420.db2.gz IWXRRHTZQCFNBJ-MKZZRHPPSA-N 1 0 311.816 4.155 20 30 DIEDRO C=CCC[N@@H+](Cc1c[nH]c(Br)c1)Cc1ccccc1 ZINC001233437131 1054272763 /nfs/dbraw/zinc/27/27/63/1054272763.db2.gz NOJPRXBUGOWKTB-UHFFFAOYSA-N 1 0 319.246 4.356 20 30 DIEDRO CC[NH+]1CCC(Oc2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC001233512424 1054286777 /nfs/dbraw/zinc/28/67/77/1054286777.db2.gz NIALFTASOZKCEN-UHFFFAOYSA-N 1 0 306.409 4.088 20 30 DIEDRO CC(C)[N@@H+]1CCC[C@H](Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233513439 1054286794 /nfs/dbraw/zinc/28/67/94/1054286794.db2.gz WQSOFGQNUGOWLR-NRFANRHFSA-N 1 0 320.436 4.477 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1c(Cl)cccc1C#N)c1ccccc1 ZINC001233547289 1054292535 /nfs/dbraw/zinc/29/25/35/1054292535.db2.gz HSPXJZFRWOLHPA-KRWDZBQOSA-N 1 0 314.816 4.283 20 30 DIEDRO CC(C)c1ccc(CC[NH2+]Cc2cccc(OCC#N)c2)cc1 ZINC001338094853 1054296196 /nfs/dbraw/zinc/29/61/96/1054296196.db2.gz GHISOPKULMSWDX-UHFFFAOYSA-N 1 0 308.425 4.045 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC001338111814 1054296294 /nfs/dbraw/zinc/29/62/94/1054296294.db2.gz GUSAYGWOVYZRDU-CRAIPNDOSA-N 1 0 311.425 4.214 20 30 DIEDRO CC(C)(C)[NH+]1CCC(Oc2ccc3cccc(C#N)c3c2)CC1 ZINC001233566253 1054297898 /nfs/dbraw/zinc/29/78/98/1054297898.db2.gz IKIKBGFZVFXQET-UHFFFAOYSA-N 1 0 308.425 4.353 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001338624182 1054309968 /nfs/dbraw/zinc/30/99/68/1054309968.db2.gz VXFOXYKYWYNIFY-QUCCMNQESA-N 1 0 320.436 4.090 20 30 DIEDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC001339118819 1054323226 /nfs/dbraw/zinc/32/32/26/1054323226.db2.gz SRBHLXKKCAKRMF-LRDDRELGSA-N 1 0 310.372 4.050 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1c2ccccc2cc2ccccc21 ZINC001233662240 1054326053 /nfs/dbraw/zinc/32/60/53/1054326053.db2.gz KBRLVEJTHGJHBU-GOSISDBHSA-N 1 0 319.428 4.360 20 30 DIEDRO CCc1cccc(CC)c1NC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000849026757 1054345272 /nfs/dbraw/zinc/34/52/72/1054345272.db2.gz RZSDODHIYPSNRN-UHFFFAOYSA-N 1 0 312.461 4.078 20 30 DIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]Cc2ccoc2)cc1 ZINC000849058890 1054366483 /nfs/dbraw/zinc/36/64/83/1054366483.db2.gz ZSAPVTHYYIYCDW-UHFFFAOYSA-N 1 0 319.408 4.346 20 30 DIEDRO CCCCCCCCNC(=[NH2+])NCc1ccc2ccccc2n1 ZINC000849060345 1054368583 /nfs/dbraw/zinc/36/85/83/1054368583.db2.gz UWZFNBZTJQHRPL-UHFFFAOYSA-N 1 0 312.461 4.209 20 30 DIEDRO C=C(Br)CNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000849065502 1054371659 /nfs/dbraw/zinc/37/16/59/1054371659.db2.gz KFUHZGIRCYLOSK-JTQLQIEISA-N 1 0 310.239 4.045 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1cccc(Oc2ccccc2)c1)C(C)C ZINC000849077279 1054377206 /nfs/dbraw/zinc/37/72/06/1054377206.db2.gz ZMTCVSDWOUMOES-GOSISDBHSA-N 1 0 307.397 4.073 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001341139049 1054377432 /nfs/dbraw/zinc/37/74/32/1054377432.db2.gz QTOJPPISJNJKDT-INIZCTEOSA-N 1 0 307.441 4.092 20 30 DIEDRO C=CCC1(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCCCC1 ZINC001441000081 1054377877 /nfs/dbraw/zinc/37/78/77/1054377877.db2.gz IYZTYWCPRYQVFY-SFHVURJKSA-N 1 0 320.521 4.140 20 30 DIEDRO Cc1nc([C@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)cs1 ZINC001341136774 1054378149 /nfs/dbraw/zinc/37/81/49/1054378149.db2.gz DFUJOCDUNWIIGM-MRXNPFEDSA-N 1 0 303.475 4.453 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1cccc(C(C)C)c1)c1ccc(F)cc1 ZINC000849085332 1054379017 /nfs/dbraw/zinc/37/90/17/1054379017.db2.gz FQKAWMOSYBJPTK-SFHVURJKSA-N 1 0 309.388 4.260 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001341524748 1054393330 /nfs/dbraw/zinc/39/33/30/1054393330.db2.gz YBLFGYZNHRUVST-RBUKOAKNSA-N 1 0 311.473 4.049 20 30 DIEDRO C=CCC(CC=C)c1nnc([C@@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001341578433 1054397373 /nfs/dbraw/zinc/39/73/73/1054397373.db2.gz FGYJGAQCCFKXOK-HNNXBMFYSA-N 1 0 303.450 4.141 20 30 DIEDRO CC(=NO)c1ccc(O[C@@H](CC[NH+](C)C)c2cccs2)cc1 ZINC001234083649 1054432030 /nfs/dbraw/zinc/43/20/30/1054432030.db2.gz QDDSTQKAHXJMMF-INIZCTEOSA-N 1 0 318.442 4.018 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000185180465 1054438725 /nfs/dbraw/zinc/43/87/25/1054438725.db2.gz ZGIYGWAZYVDJCF-HNNXBMFYSA-N 1 0 307.865 4.333 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c1 ZINC001343260356 1054438963 /nfs/dbraw/zinc/43/89/63/1054438963.db2.gz QKUBJYBEZIHQKV-RBUKOAKNSA-N 1 0 306.409 4.015 20 30 DIEDRO C[C@@H](CCCC(F)(F)F)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001343643348 1054450185 /nfs/dbraw/zinc/45/01/85/1054450185.db2.gz LYUXMSRPVZXXHE-JEYLPNPQSA-N 1 0 310.363 4.321 20 30 DIEDRO C=CCC1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)CCCC1 ZINC001443907806 1054461273 /nfs/dbraw/zinc/46/12/73/1054461273.db2.gz NDYFLEZEXXYDRH-KRWDZBQOSA-N 1 0 320.521 4.140 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CC(Cc2c(F)cccc2Cl)C1 ZINC001344567316 1054474662 /nfs/dbraw/zinc/47/46/62/1054474662.db2.gz JBJIYCWMODTCQT-UHFFFAOYSA-N 1 0 308.828 4.283 20 30 DIEDRO CC(C)C[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001473276884 1054477945 /nfs/dbraw/zinc/47/79/45/1054477945.db2.gz FBLWAXOZLMLQNN-GOSISDBHSA-N 1 0 300.446 4.085 20 30 DIEDRO C=CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)C ZINC000622943319 1054483957 /nfs/dbraw/zinc/48/39/57/1054483957.db2.gz XPUGHUSXMRVMPF-UHFFFAOYSA-N 1 0 314.473 4.099 20 30 DIEDRO C=CC1(CC(=O)Nc2ccc(C[NH+](C)C)c(F)c2)CCCCC1 ZINC001444943726 1054493576 /nfs/dbraw/zinc/49/35/76/1054493576.db2.gz KSSFCNDDOGOTEZ-UHFFFAOYSA-N 1 0 318.436 4.352 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000174446822 1054507775 /nfs/dbraw/zinc/50/77/75/1054507775.db2.gz BZNWDLQMYYUPSX-OAHLLOKOSA-N 1 0 319.880 4.228 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234424445 1054520862 /nfs/dbraw/zinc/52/08/62/1054520862.db2.gz PXOKZLKRXIGYHX-MRXNPFEDSA-N 1 0 323.436 4.379 20 30 DIEDRO C=CC[N@@H+](C)Cc1c[nH]c2cc(Cl)cc(Br)c12 ZINC001234471537 1054529566 /nfs/dbraw/zinc/52/95/66/1054529566.db2.gz IWCATAHTTICAEV-UHFFFAOYSA-N 1 0 313.626 4.202 20 30 DIEDRO C=CCC[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001446502035 1054538554 /nfs/dbraw/zinc/53/85/54/1054538554.db2.gz FZFKCMRHKVLTIM-HKUYNNGSSA-N 1 0 314.473 4.075 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC001168528475 1054560842 /nfs/dbraw/zinc/56/08/42/1054560842.db2.gz DTGVGBNVPRRLTN-IBGZPJMESA-N 1 0 310.828 4.323 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)Cc1cccnc1 ZINC001473346112 1054589430 /nfs/dbraw/zinc/58/94/30/1054589430.db2.gz TTZPYKNCJHKIAJ-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000623592964 1054629402 /nfs/dbraw/zinc/62/94/02/1054629402.db2.gz MAJWUYDSGDQHQC-UHFFFAOYSA-N 1 0 316.470 4.414 20 30 DIEDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185823980 1054699771 /nfs/dbraw/zinc/69/97/71/1054699771.db2.gz ZFOWPWZUXUYWTA-OALUTQOASA-N 1 0 311.473 4.095 20 30 DIEDRO CC(C)C[C@@H](CNc1ccc(C#N)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000495319840 1054710303 /nfs/dbraw/zinc/71/03/03/1054710303.db2.gz ULQMMYYMFXESIF-APWZRJJASA-N 1 0 322.456 4.131 20 30 DIEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3ccc(CC#N)cc3)C2)cc1 ZINC001473433976 1054715853 /nfs/dbraw/zinc/71/58/53/1054715853.db2.gz ZSENZXNMVKSQDG-DYESRHJHSA-N 1 0 304.437 4.439 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C(=O)OC)s1)c1ccccc1 ZINC000180046529 1054727432 /nfs/dbraw/zinc/72/74/32/1054727432.db2.gz ZLLGCWSUCGGJRB-INIZCTEOSA-N 1 0 315.438 4.332 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(C)c(C(=O)OC)o1)c1ccccc1 ZINC000180045772 1054730008 /nfs/dbraw/zinc/73/00/08/1054730008.db2.gz WJVHRRNGMWFTGU-KRWDZBQOSA-N 1 0 313.397 4.172 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3ccccc3CC#N)CC2)cc1 ZINC001235523654 1054737474 /nfs/dbraw/zinc/73/74/74/1054737474.db2.gz SWBXEAZCOCJJSG-UHFFFAOYSA-N 1 0 320.436 4.141 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235524836 1054737711 /nfs/dbraw/zinc/73/77/11/1054737711.db2.gz BGMTWBZJJJEDOW-UHFFFAOYSA-N 1 0 320.436 4.141 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001235530589 1054739169 /nfs/dbraw/zinc/73/91/69/1054739169.db2.gz VXFGWXAKAVFXPT-SFHVURJKSA-N 1 0 322.427 4.346 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180261822 1054745694 /nfs/dbraw/zinc/74/56/94/1054745694.db2.gz HGKFAXISVRRFSW-HUUCEWRRSA-N 1 0 315.461 4.366 20 30 DIEDRO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)CC1(CC#N)CC1 ZINC001473606729 1054753812 /nfs/dbraw/zinc/75/38/12/1054753812.db2.gz RSTDWEGMQONEIF-HNNXBMFYSA-N 1 0 318.848 4.352 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000180455603 1054757554 /nfs/dbraw/zinc/75/75/54/1054757554.db2.gz PTEUCOSSRGAOJW-STQMWFEESA-N 1 0 306.500 4.297 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000180455568 1054758686 /nfs/dbraw/zinc/75/86/86/1054758686.db2.gz PTEUCOSSRGAOJW-QWHCGFSZSA-N 1 0 306.500 4.297 20 30 DIEDRO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H]2C2CCCCC2)c(F)c1 ZINC001235665949 1054763753 /nfs/dbraw/zinc/76/37/53/1054763753.db2.gz ZOZYSEIXXOYOGU-SFHVURJKSA-N 1 0 304.384 4.381 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC001474154931 1054791394 /nfs/dbraw/zinc/79/13/94/1054791394.db2.gz XJUOBNKSAIGRRY-UHFFFAOYSA-N 1 0 311.425 4.427 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623924628 1054825924 /nfs/dbraw/zinc/82/59/24/1054825924.db2.gz IKFMMZGZQMWRFH-LLVKDONJSA-N 1 0 305.315 4.088 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(F)c(C#N)c2)nc1 ZINC001235891853 1054832725 /nfs/dbraw/zinc/83/27/25/1054832725.db2.gz UTLJGWJFZYABEV-CQSZACIVSA-N 1 0 309.388 4.134 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623993823 1054849273 /nfs/dbraw/zinc/84/92/73/1054849273.db2.gz FIIFAUGEZIUXIR-JTQLQIEISA-N 1 0 306.759 4.241 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000624003681 1054853872 /nfs/dbraw/zinc/85/38/72/1054853872.db2.gz GNNOBEWEJTUNOT-ZETOZRRWSA-N 1 0 317.326 4.086 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc(Br)c(Cl)cc1N ZINC001235949791 1054867479 /nfs/dbraw/zinc/86/74/79/1054867479.db2.gz IAYCIFJZZHYROW-UHFFFAOYSA-N 1 0 317.658 4.083 20 30 DIEDRO Cc1c(C#N)ccnc1-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236004700 1054892067 /nfs/dbraw/zinc/89/20/67/1054892067.db2.gz MUZKRNDLAGQWFO-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO CC(C)(C)[C@@H]([NH2+]CCCSCC#N)c1ccc(F)cc1F ZINC000181631453 1054924643 /nfs/dbraw/zinc/92/46/43/1054924643.db2.gz LNGWYZFJEDMLRU-HNNXBMFYSA-N 1 0 312.429 4.288 20 30 DIEDRO CCCCCCCOc1ccc(CN2CC[C@H](C[NH2+]C)C2)cc1 ZINC001236067681 1054924660 /nfs/dbraw/zinc/92/46/60/1054924660.db2.gz STGBZDAAEFGJOG-LJQANCHMSA-N 1 0 318.505 4.077 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1cc(F)c(Cl)cc1Cl ZINC000181646971 1054927929 /nfs/dbraw/zinc/92/79/29/1054927929.db2.gz UCZDHFWRDAGASP-VIFPVBQESA-N 1 0 321.248 4.430 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000182079370 1054958237 /nfs/dbraw/zinc/95/82/37/1054958237.db2.gz NWCYBHKSUHWQKT-CQSZACIVSA-N 1 0 303.402 4.075 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000182079386 1054958445 /nfs/dbraw/zinc/95/84/45/1054958445.db2.gz NWCYBHKSUHWQKT-AWEZNQCLSA-N 1 0 303.402 4.075 20 30 DIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]CCCSCC#N)cc1 ZINC000182111099 1054960977 /nfs/dbraw/zinc/96/09/77/1054960977.db2.gz UWMUPOJNJHRSKK-AWEZNQCLSA-N 1 0 308.516 4.485 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)s1 ZINC001236189358 1054987697 /nfs/dbraw/zinc/98/76/97/1054987697.db2.gz CVHJELGORKQGMP-SFHVURJKSA-N 1 0 307.422 4.438 20 30 DIEDRO Cc1ccc(C#N)c(-c2ccc(C[NH+]3CCCCC3)c(F)c2)n1 ZINC001236235159 1055026637 /nfs/dbraw/zinc/02/66/37/1055026637.db2.gz WJOSHXARJQQSKD-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO Cc1cc(C#N)cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)n1 ZINC001236245327 1055029633 /nfs/dbraw/zinc/02/96/33/1055029633.db2.gz QVQVHHBTHPBDLO-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO ON=Cc1ccccc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236259468 1055041398 /nfs/dbraw/zinc/04/13/98/1055041398.db2.gz XVXJWGSONKIBIY-UHFFFAOYSA-N 1 0 312.388 4.287 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2nc(C)cc(C)c2C#N)c1 ZINC001236320274 1055055492 /nfs/dbraw/zinc/05/54/92/1055055492.db2.gz OZJCKOSDSWTQLX-UHFFFAOYSA-N 1 0 311.404 4.218 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000183743810 1055056880 /nfs/dbraw/zinc/05/68/80/1055056880.db2.gz GVXVEOZBKWSOHI-CZUORRHYSA-N 1 0 316.470 4.096 20 30 DIEDRO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]C[C@H](C)C#N)cc1 ZINC000185574613 1055093246 /nfs/dbraw/zinc/09/32/46/1055093246.db2.gz VEPNCZZEBXKNDG-SJORKVTESA-N 1 0 300.446 4.102 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2nc3c(cc2C#N)CCCC3(C)C)c1 ZINC001236419548 1055105813 /nfs/dbraw/zinc/10/58/13/1055105813.db2.gz CLTBXWYELURMGP-UHFFFAOYSA-N 1 0 319.452 4.296 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(C(C)(C)C#N)nc2)cc1 ZINC001236436345 1055112065 /nfs/dbraw/zinc/11/20/65/1055112065.db2.gz MTPRZRYORHPSTH-UHFFFAOYSA-N 1 0 307.441 4.295 20 30 DIEDRO C=CCCCCN(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236450909 1055120957 /nfs/dbraw/zinc/12/09/57/1055120957.db2.gz MKQJCTWJVHNEBV-UHFFFAOYSA-N 1 0 306.881 4.250 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000764465219 1055187871 /nfs/dbraw/zinc/18/78/71/1055187871.db2.gz WERGWDQULMJYET-QZTJIDSGSA-N 1 0 308.510 4.118 20 30 DIEDRO C=CCCCCN1CC[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236798410 1055266655 /nfs/dbraw/zinc/26/66/55/1055266655.db2.gz LIGDAGUPLGSGIG-INIZCTEOSA-N 1 0 312.379 4.008 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1cccnc1Cl)C(C)C ZINC000764874556 1055280541 /nfs/dbraw/zinc/28/05/41/1055280541.db2.gz ILZKTUICQWWCIK-DOTOQJQBSA-N 1 0 321.896 4.084 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2c3ccccc3CCC[C@@H]2C)cc1C#N ZINC000764977633 1055303632 /nfs/dbraw/zinc/30/36/32/1055303632.db2.gz PIOUBCIAIZCQMK-YCRPNKLZSA-N 1 0 320.436 4.370 20 30 DIEDRO CCCCN(CCC#N)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236906768 1055314147 /nfs/dbraw/zinc/31/41/47/1055314147.db2.gz HQFZGGOPNDYMEL-UHFFFAOYSA-N 1 0 316.836 4.041 20 30 DIEDRO C=C1CCC(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC001537428560 1055314524 /nfs/dbraw/zinc/31/45/24/1055314524.db2.gz BQIGRTGSGJEAAI-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](C#N)CC3)cn2)c1C ZINC001236987513 1055326879 /nfs/dbraw/zinc/32/68/79/1055326879.db2.gz BYZUNSIQBZSINU-GOSISDBHSA-N 1 0 319.452 4.491 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N2CC[NH+](C(C)(C)CC)CC2)c1 ZINC001563363863 1055329940 /nfs/dbraw/zinc/32/99/40/1055329940.db2.gz GBOMHRHRTWFNPP-UHFFFAOYSA-N 1 0 315.461 4.058 20 30 DIEDRO Cc1ccc(-c2cncc(C[NH+]3CCC(C)(C#N)CC3)c2)cc1 ZINC001237002251 1055332673 /nfs/dbraw/zinc/33/26/73/1055332673.db2.gz JLNWZLPZBYUXOR-UHFFFAOYSA-N 1 0 305.425 4.183 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237018193 1055339648 /nfs/dbraw/zinc/33/96/48/1055339648.db2.gz RPKLKFYWMWQEKJ-OAHLLOKOSA-N 1 0 310.828 4.247 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2)cc1 ZINC000765251955 1055345425 /nfs/dbraw/zinc/34/54/25/1055345425.db2.gz PQGAHQHHOOKOFJ-HZPDHXFCSA-N 1 0 309.409 4.119 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1OC(C)(C)C ZINC001237029903 1055346851 /nfs/dbraw/zinc/34/68/51/1055346851.db2.gz UHMRSYYKLOBQHJ-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)cc1 ZINC000765343660 1055366632 /nfs/dbraw/zinc/36/66/32/1055366632.db2.gz LWCIRKHMVCCGDD-RHSMWYFYSA-N 1 0 309.837 4.038 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000765354177 1055369008 /nfs/dbraw/zinc/36/90/08/1055369008.db2.gz LSMYTFCVHKLXJV-ZBFHGGJFSA-N 1 0 302.418 4.039 20 30 DIEDRO C[C@@H](CSC(C)(C)C)[NH2+]CCSCc1ccccc1C#N ZINC000765361155 1055371422 /nfs/dbraw/zinc/37/14/22/1055371422.db2.gz YGKBPOFZIKZTGL-AWEZNQCLSA-N 1 0 322.543 4.301 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000765426535 1055385643 /nfs/dbraw/zinc/38/56/43/1055385643.db2.gz NCYKMGYESNTFTM-JLTOFOAXSA-N 1 0 309.384 4.176 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CSCc3ccccc32)cc1 ZINC000765428758 1055389606 /nfs/dbraw/zinc/38/96/06/1055389606.db2.gz YRPZYNVWJNEDCH-MGPUTAFESA-N 1 0 323.461 4.337 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(O)(CC)CC)cc1 ZINC000765473371 1055401276 /nfs/dbraw/zinc/40/12/76/1055401276.db2.gz YAJZIHPIRUTDKU-CQSZACIVSA-N 1 0 311.853 4.020 20 30 DIEDRO C#Cc1cccc(C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)c1 ZINC001237250099 1055410674 /nfs/dbraw/zinc/41/06/74/1055410674.db2.gz RZSJALKFONETNX-UYAOXDASSA-N 1 0 322.839 4.105 20 30 DIEDRO COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C#N)CC2)c1 ZINC001237306845 1055424849 /nfs/dbraw/zinc/42/48/49/1055424849.db2.gz KLAIJVYIRFKYIZ-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237340653 1055434346 /nfs/dbraw/zinc/43/43/46/1055434346.db2.gz BFYCTOGYPYECDA-UHFFFAOYSA-N 1 0 302.418 4.208 20 30 DIEDRO C=CCN(Cc1cnccc1Br)C1CCCCC1 ZINC001237390725 1055445798 /nfs/dbraw/zinc/44/57/98/1055445798.db2.gz WVQZHRMFXCIDGI-UHFFFAOYSA-N 1 0 309.251 4.165 20 30 DIEDRO CCC[N@H+](Cc1cn(C)c2ccc(C#N)cc12)Cc1ccccc1 ZINC001237468714 1055456333 /nfs/dbraw/zinc/45/63/33/1055456333.db2.gz OHOKFHXPJDQHLD-UHFFFAOYSA-N 1 0 317.436 4.462 20 30 DIEDRO Cn1cc(CN2Cc3ccc(Cl)cc3C2)c2cc(C#N)ccc21 ZINC001237473157 1055458474 /nfs/dbraw/zinc/45/84/74/1055458474.db2.gz GDLWSOBJVXENOW-UHFFFAOYSA-N 1 0 321.811 4.219 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)c2cc(C#N)ccc21 ZINC001237470381 1055459549 /nfs/dbraw/zinc/45/95/49/1055459549.db2.gz IRPHQLHABAWASL-FQEVSTJZSA-N 1 0 315.420 4.387 20 30 DIEDRO N#Cc1cc(CN2CCC(c3ccccc3)CC2)c(F)cc1F ZINC001237528500 1055467161 /nfs/dbraw/zinc/46/71/61/1055467161.db2.gz VBIXMIPDSIBUES-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(F)cc1F ZINC001237526316 1055467498 /nfs/dbraw/zinc/46/74/98/1055467498.db2.gz NPCOIXMJWFDKAJ-HNNXBMFYSA-N 1 0 312.363 4.216 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1cc(C#N)c(F)cc1F ZINC001237534964 1055470240 /nfs/dbraw/zinc/47/02/40/1055470240.db2.gz SLWVZGMRDCZHHG-UHFFFAOYSA-N 1 0 320.770 4.164 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC001620858012 1055485262 /nfs/dbraw/zinc/48/52/62/1055485262.db2.gz GXSQOJGHPQAPRE-JTQLQIEISA-N 1 0 323.259 4.237 20 30 DIEDRO CC(C)(C)[N@H+](Cc1cn2cc(C#N)ccc2n1)Cc1ccccc1 ZINC001237604931 1055486070 /nfs/dbraw/zinc/48/60/70/1055486070.db2.gz SIIPTSLEGQCKEM-UHFFFAOYSA-N 1 0 318.424 4.007 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921542181 1055490314 /nfs/dbraw/zinc/49/03/14/1055490314.db2.gz PHQOHOUWQMFUMN-ZDUSSCGKSA-N 1 0 300.427 4.258 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1nccc2ccccc21)c1ccccc1 ZINC001620867789 1055494066 /nfs/dbraw/zinc/49/40/66/1055494066.db2.gz BDVDEQQFNXTYLU-IBGZPJMESA-N 1 0 301.393 4.369 20 30 DIEDRO N#CCC1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237645917 1055495243 /nfs/dbraw/zinc/49/52/43/1055495243.db2.gz MIJDORNIIYFOTK-UHFFFAOYSA-N 1 0 324.399 4.324 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921543897 1055495899 /nfs/dbraw/zinc/49/58/99/1055495899.db2.gz NDZJATBDIZFAKN-ZDUSSCGKSA-N 1 0 300.427 4.258 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1cccc(Br)c1OC ZINC001620875553 1055504073 /nfs/dbraw/zinc/50/40/73/1055504073.db2.gz JPOSRGHCHMGHGX-LBPRGKRZSA-N 1 0 312.251 4.292 20 30 DIEDRO COc1ccc(C)c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001237712208 1055512067 /nfs/dbraw/zinc/51/20/67/1055512067.db2.gz DPLYJCVGSUDSQW-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)cc1 ZINC001620887984 1055513669 /nfs/dbraw/zinc/51/36/69/1055513669.db2.gz CPYQLPMDZPVFAI-QGZVFWFLSA-N 1 0 319.448 4.428 20 30 DIEDRO COc1ccc(C)c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001237715416 1055513838 /nfs/dbraw/zinc/51/38/38/1055513838.db2.gz KSYNTGDYGCVNMB-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)ccc1OC(C)C ZINC001237722232 1055516984 /nfs/dbraw/zinc/51/69/84/1055516984.db2.gz NEOFXNOCCBOYTR-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001237752881 1055521351 /nfs/dbraw/zinc/52/13/51/1055521351.db2.gz GEIUICWCTMKVRB-MRXNPFEDSA-N 1 0 306.812 4.316 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC001620895409 1055521880 /nfs/dbraw/zinc/52/18/80/1055521880.db2.gz ZWCVDVTZGDWBAV-KRWDZBQOSA-N 1 0 319.448 4.428 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001237752459 1055521961 /nfs/dbraw/zinc/52/19/61/1055521961.db2.gz WDSOJFWKZKXWDE-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001237751591 1055522237 /nfs/dbraw/zinc/52/22/37/1055522237.db2.gz MLEOELJUYNVUQX-MRXNPFEDSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC001620907866 1055531113 /nfs/dbraw/zinc/53/11/13/1055531113.db2.gz GUSZNIPHAODGBB-BXUZGUMPSA-N 1 0 312.226 4.423 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001620916420 1055539610 /nfs/dbraw/zinc/53/96/10/1055539610.db2.gz RFXNRDWRRWUBTK-NSHDSACASA-N 1 0 309.207 4.035 20 30 DIEDRO C=CCN(Cc1cccc(OC)c1Br)C(C)(C)C ZINC001237868262 1055543671 /nfs/dbraw/zinc/54/36/71/1055543671.db2.gz NDNDNCNMDSSTTL-UHFFFAOYSA-N 1 0 312.251 4.244 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)C1CCCC1 ZINC001620936092 1055550001 /nfs/dbraw/zinc/55/00/01/1055550001.db2.gz QDUYZMYRQDSTCZ-MRXNPFEDSA-N 1 0 321.262 4.379 20 30 DIEDRO C=CCC1([NH2+]Cc2cccnc2Br)CCCCC1 ZINC001620937121 1055552084 /nfs/dbraw/zinc/55/20/84/1055552084.db2.gz GZRQQNISAFYIGJ-UHFFFAOYSA-N 1 0 309.251 4.213 20 30 DIEDRO N#C[C@H]1CCC[N@H+](Cc2ccc(COc3ccccc3)cc2)CC1 ZINC001237919017 1055557782 /nfs/dbraw/zinc/55/77/82/1055557782.db2.gz ARJHFHNJQDBKDS-SFHVURJKSA-N 1 0 320.436 4.391 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC001620943093 1055557718 /nfs/dbraw/zinc/55/77/18/1055557718.db2.gz IQJLCUBGATZHJM-KGLIPLIRSA-N 1 0 317.376 4.122 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(COc3ccccc3)cc2)CC1 ZINC001237925657 1055560717 /nfs/dbraw/zinc/56/07/17/1055560717.db2.gz KWVKBNZYQNPDEI-UHFFFAOYSA-N 1 0 320.436 4.391 20 30 DIEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237922214 1055560745 /nfs/dbraw/zinc/56/07/45/1055560745.db2.gz FIXVCGAJFSNDJJ-SFHVURJKSA-N 1 0 320.436 4.391 20 30 DIEDRO Cc1sccc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001237976574 1055570352 /nfs/dbraw/zinc/57/03/52/1055570352.db2.gz PVWVBHIOKUCXRF-UHFFFAOYSA-N 1 0 314.429 4.253 20 30 DIEDRO C=C[C@@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)c1ccccc1 ZINC001594796978 1055572941 /nfs/dbraw/zinc/57/29/41/1055572941.db2.gz BCQTVPXAEMTMPA-HXUWFJFHSA-N 1 0 322.452 4.437 20 30 DIEDRO N#Cc1ccc(CN2CCCC[C@H]2c2cccnc2)c(Cl)c1 ZINC001238085739 1055603406 /nfs/dbraw/zinc/60/34/06/1055603406.db2.gz KMSVTUPIDSZRTA-SFHVURJKSA-N 1 0 311.816 4.334 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC001620960574 1055605715 /nfs/dbraw/zinc/60/57/15/1055605715.db2.gz QEFQEHITSKRFMA-QUCCMNQESA-N 1 0 323.484 4.448 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC001620960572 1055605902 /nfs/dbraw/zinc/60/59/02/1055605902.db2.gz QEFQEHITSKRFMA-AZUAARDMSA-N 1 0 323.484 4.448 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ncc(C)c(OC)c1C ZINC001238174671 1055614159 /nfs/dbraw/zinc/61/41/59/1055614159.db2.gz AUKXGLRQNKQJRA-UHFFFAOYSA-N 1 0 310.441 4.285 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)ccc1Cl ZINC001238191207 1055617895 /nfs/dbraw/zinc/61/78/95/1055617895.db2.gz KFFZSGGFVOCGLI-HNNXBMFYSA-N 1 0 306.812 4.316 20 30 DIEDRO N#Cc1cc(C[N@H+]2CCCC3(CC(F)C3)CC2)ccc1Cl ZINC001238193338 1055618325 /nfs/dbraw/zinc/61/83/25/1055618325.db2.gz BPWXOCCHYUWRBF-UHFFFAOYSA-N 1 0 306.812 4.316 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Cl)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001238191232 1055618507 /nfs/dbraw/zinc/61/85/07/1055618507.db2.gz KKNMWMOBAXTESG-HXUWFJFHSA-N 1 0 320.823 4.334 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)c(C)cc1Br ZINC001238281126 1055633628 /nfs/dbraw/zinc/63/36/28/1055633628.db2.gz ITUKAGUXKWNHLD-UHFFFAOYSA-N 1 0 321.262 4.192 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC001238407965 1055652756 /nfs/dbraw/zinc/65/27/56/1055652756.db2.gz WAKAIGBQSVGHDA-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC001238414891 1055653404 /nfs/dbraw/zinc/65/34/04/1055653404.db2.gz YPDYSCNJWZRCRY-LJQANCHMSA-N 1 0 306.409 4.076 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC(C)(C)c1ccccc1F ZINC001649043072 1055654525 /nfs/dbraw/zinc/65/45/25/1055654525.db2.gz LXEUSFGWFKPDDS-UHFFFAOYSA-N 1 0 310.416 4.382 20 30 DIEDRO C#CC1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2F)CC1 ZINC001238496355 1055673413 /nfs/dbraw/zinc/67/34/13/1055673413.db2.gz USSKYEIRGXQUMM-UHFFFAOYSA-N 1 0 319.729 4.343 20 30 DIEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000387493793 1055676191 /nfs/dbraw/zinc/67/61/91/1055676191.db2.gz JKZHBECYBAOUHP-CQSZACIVSA-N 1 0 314.816 4.283 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cncc(-c2ccc(F)cc2OC)c1 ZINC001238549460 1055683379 /nfs/dbraw/zinc/68/33/79/1055683379.db2.gz VZDUANXGXUINPU-UHFFFAOYSA-N 1 0 312.388 4.070 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238558385 1055687316 /nfs/dbraw/zinc/68/73/16/1055687316.db2.gz MYIVTWUTLFFPFH-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC001238624647 1055701217 /nfs/dbraw/zinc/70/12/17/1055701217.db2.gz JYQKOHHXRIOJRE-QGZVFWFLSA-N 1 0 305.425 4.183 20 30 DIEDRO Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001238626482 1055703021 /nfs/dbraw/zinc/70/30/21/1055703021.db2.gz UELDRYGJBMXYFF-QGZVFWFLSA-N 1 0 305.425 4.183 20 30 DIEDRO COc1cc(F)ccc1-c1cccc(CN2CCC[C@H](C#N)C2)c1 ZINC001238630497 1055704017 /nfs/dbraw/zinc/70/40/17/1055704017.db2.gz DVOJLXRREWFCCO-MRXNPFEDSA-N 1 0 324.399 4.237 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3OC)c2)C1 ZINC001238637810 1055707276 /nfs/dbraw/zinc/70/72/76/1055707276.db2.gz UKTPOSQBJHRBOD-MRXNPFEDSA-N 1 0 323.411 4.347 20 30 DIEDRO CCCCN(CCC#N)Cc1cc(OC)ccc1-c1ccncc1 ZINC001238653518 1055708973 /nfs/dbraw/zinc/70/89/73/1055708973.db2.gz LEZVEKRJYQHUDF-UHFFFAOYSA-N 1 0 323.440 4.273 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000105492444 1055730563 /nfs/dbraw/zinc/73/05/63/1055730563.db2.gz IQAPRLGFEDPGRO-UHFFFAOYSA-N 1 0 320.436 4.405 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(C)c1OC(C)C ZINC001238752112 1055738788 /nfs/dbraw/zinc/73/87/88/1055738788.db2.gz RWSAUOBSABETNB-UHFFFAOYSA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc(C)c1OC(C)C ZINC001238751653 1055739034 /nfs/dbraw/zinc/73/90/34/1055739034.db2.gz IUVFUTVSTXOEID-KRWDZBQOSA-N 1 0 300.446 4.216 20 30 DIEDRO CCc1cc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)ccc1C#N ZINC001238768962 1055745493 /nfs/dbraw/zinc/74/54/93/1055745493.db2.gz NXYIZTKLZJOFPI-GOSISDBHSA-N 1 0 300.421 4.225 20 30 DIEDRO CCc1cc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)ccc1C#N ZINC001238776360 1055746378 /nfs/dbraw/zinc/74/63/78/1055746378.db2.gz VHKFOFHXEWFIEM-NRFANRHFSA-N 1 0 320.436 4.466 20 30 DIEDRO CCc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)ccc1C#N ZINC001238776561 1055746452 /nfs/dbraw/zinc/74/64/52/1055746452.db2.gz VHKFOFHXEWFIEM-OAQYLSRUSA-N 1 0 320.436 4.466 20 30 DIEDRO C=C[C@H](CC)CC(=O)N(C[C@@H](C)[NH+](C)C)c1c(C)cccc1C ZINC001596785557 1055746868 /nfs/dbraw/zinc/74/68/68/1055746868.db2.gz DXVJMYBJFRVBQN-QZTJIDSGSA-N 1 0 316.489 4.189 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc2[nH]cc(C[NH3+])c2c1 ZINC001238844501 1055765620 /nfs/dbraw/zinc/76/56/20/1055765620.db2.gz DOPSDKDGKBQFTN-UHFFFAOYSA-N 1 0 315.298 4.184 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc2c(N)cc[nH+]c2c1 ZINC001238845515 1055767525 /nfs/dbraw/zinc/76/75/25/1055767525.db2.gz NLJKLEAVXSGLLP-UHFFFAOYSA-N 1 0 313.282 4.374 20 30 DIEDRO COc1ccccc1/C=C\C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC001620974558 1055814413 /nfs/dbraw/zinc/81/44/13/1055814413.db2.gz QEBOBBYEIKJUDU-DASIIQCKSA-N 1 0 318.420 4.247 20 30 DIEDRO COc1ccccc1/C=C/C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC001620974559 1055814805 /nfs/dbraw/zinc/81/48/05/1055814805.db2.gz QEBOBBYEIKJUDU-FKIZTMCRSA-N 1 0 318.420 4.247 20 30 DIEDRO C#Cc1ccc(NC(=O)c2ccc(C[N@@H+](CC)CCC)cc2)cc1 ZINC001539286623 1055818571 /nfs/dbraw/zinc/81/85/71/1055818571.db2.gz HSHLGLJFAWMDBB-UHFFFAOYSA-N 1 0 320.436 4.152 20 30 DIEDRO CCCCCCCCNC(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001239257260 1055855290 /nfs/dbraw/zinc/85/52/90/1055855290.db2.gz JMKOAFDATLQDOQ-KRWDZBQOSA-N 1 0 323.525 4.101 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001239274472 1055856737 /nfs/dbraw/zinc/85/67/37/1055856737.db2.gz XAUYIVKFJONQNH-HKUYNNGSSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001239279816 1055858495 /nfs/dbraw/zinc/85/84/95/1055858495.db2.gz ACBUKLKZJQUPDU-MSOLQXFVSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001239279404 1055859016 /nfs/dbraw/zinc/85/90/16/1055859016.db2.gz SGUYBKPAZPDBKT-HKUYNNGSSA-N 1 0 323.525 4.053 20 30 DIEDRO N#Cc1ccc(/C=C/c2cccc3c2C2(C=C3)CC[NH2+]CC2)cc1 ZINC001239292225 1055860888 /nfs/dbraw/zinc/86/08/88/1055860888.db2.gz XFZQBKQVLLEJGL-CMDGGOBGSA-N 1 0 312.416 4.377 20 30 DIEDRO N#Cc1ccc(/C=C/c2cccc(C[NH+]3CCCC3)c2F)cc1 ZINC001239304696 1055862078 /nfs/dbraw/zinc/86/20/78/1055862078.db2.gz ZBFSJUHXGZWQHE-ZHACJKMWSA-N 1 0 306.384 4.464 20 30 DIEDRO CCCCCCCNC(=O)N(CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239304724 1055862289 /nfs/dbraw/zinc/86/22/89/1055862289.db2.gz FWGJXPBWWVVONC-IYARVYRRSA-N 1 0 323.525 4.038 20 30 DIEDRO CCCCCCCOC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001239312650 1055863776 /nfs/dbraw/zinc/86/37/76/1055863776.db2.gz YFDNBTAZFOUWIW-MRXNPFEDSA-N 1 0 304.434 4.282 20 30 DIEDRO CCCCCCCCOC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001239312281 1055864419 /nfs/dbraw/zinc/86/44/19/1055864419.db2.gz DZAQZTZYLUQLKS-CYBMUJFWSA-N 1 0 309.410 4.008 20 30 DIEDRO CCCCCCCCOC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001239312282 1055865142 /nfs/dbraw/zinc/86/51/42/1055865142.db2.gz DZAQZTZYLUQLKS-ZDUSSCGKSA-N 1 0 309.410 4.008 20 30 DIEDRO CCCCCCCCCNC(=S)Nc1ccc(CC[NH3+])cc1 ZINC001239344471 1055877295 /nfs/dbraw/zinc/87/72/95/1055877295.db2.gz ONOLJUBSOAOQCK-UHFFFAOYSA-N 1 0 321.534 4.225 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(NC)nc2F)cc1 ZINC001239436315 1055889780 /nfs/dbraw/zinc/88/97/80/1055889780.db2.gz JNXOJDVYDWLYRW-QGZVFWFLSA-N 1 0 311.404 4.252 20 30 DIEDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1C#N ZINC001620758817 1055930534 /nfs/dbraw/zinc/93/05/34/1055930534.db2.gz YHJBRHGJFPKADR-ZYSHUDEJSA-N 1 0 314.473 4.365 20 30 DIEDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC001620759653 1055931395 /nfs/dbraw/zinc/93/13/95/1055931395.db2.gz GMNZKMYGZJPKTB-OCCSQVGLSA-N 1 0 321.262 4.237 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000671743955 1055939114 /nfs/dbraw/zinc/93/91/14/1055939114.db2.gz HTSKBMLGAJVLRF-MRXNPFEDSA-N 1 0 311.425 4.376 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1(C)C ZINC001621121335 1055942185 /nfs/dbraw/zinc/94/21/85/1055942185.db2.gz CWTPJNBFVISVTC-ROUUACIJSA-N 1 0 314.473 4.123 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(OC)ccc2Br)C1 ZINC001620783843 1055957149 /nfs/dbraw/zinc/95/71/49/1055957149.db2.gz DJADOTQWTGGOKL-JSGCOSHPSA-N 1 0 324.262 4.292 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2Br)C1 ZINC001620783842 1055958553 /nfs/dbraw/zinc/95/85/53/1055958553.db2.gz DJADOTQWTGGOKL-GXTWGEPZSA-N 1 0 324.262 4.292 20 30 DIEDRO COc1cccc2c(C[NH2+]Cc3ccc(CC#N)cc3)cccc12 ZINC001620985204 1055958666 /nfs/dbraw/zinc/95/86/66/1055958666.db2.gz YMAQPDXOCPVAGY-UHFFFAOYSA-N 1 0 316.404 4.204 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)cc1 ZINC001620985873 1055960800 /nfs/dbraw/zinc/96/08/00/1055960800.db2.gz YESGPCFDBYWIOQ-UHFFFAOYSA-N 1 0 313.404 4.104 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(C)c(C)c2)cc1 ZINC001620999339 1055967568 /nfs/dbraw/zinc/96/75/68/1055967568.db2.gz MNCFSIHCARWHOU-UHFFFAOYSA-N 1 0 307.437 4.038 20 30 DIEDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001621001337 1055968878 /nfs/dbraw/zinc/96/88/78/1055968878.db2.gz JRORROZTAZKPTQ-FQEVSTJZSA-N 1 0 322.427 4.492 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)CCC2CCCCC2)ccc1C#N ZINC001620794084 1055971218 /nfs/dbraw/zinc/97/12/18/1055971218.db2.gz KRJJSDGHGJGUAO-HNNXBMFYSA-N 1 0 300.446 4.405 20 30 DIEDRO CC(C)([NH2+]Cc1cnc2c(F)cccc2c1)c1cccc(C#N)c1 ZINC001621003428 1055971428 /nfs/dbraw/zinc/97/14/28/1055971428.db2.gz HZMGFUCFXGIQGF-UHFFFAOYSA-N 1 0 319.383 4.270 20 30 DIEDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC001621007993 1055974915 /nfs/dbraw/zinc/97/49/15/1055974915.db2.gz VMUWZQHUBNGPLX-PZJWPPBQSA-N 1 0 320.436 4.220 20 30 DIEDRO C#CC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C(C)C ZINC001620603784 1055975913 /nfs/dbraw/zinc/97/59/13/1055975913.db2.gz REGIZLCPCNUGQH-UHFFFAOYSA-N 1 0 311.400 4.248 20 30 DIEDRO CC(C)c1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001239625733 1055983079 /nfs/dbraw/zinc/98/30/79/1055983079.db2.gz HKDCSBNLCOIFRM-UHFFFAOYSA-N 1 0 320.436 4.479 20 30 DIEDRO C=CC(C)(C)CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC001540193185 1055987945 /nfs/dbraw/zinc/98/79/45/1055987945.db2.gz MBSRCSHICJZNDD-UHFFFAOYSA-N 1 0 316.489 4.249 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)cc1OC ZINC001620798259 1055993665 /nfs/dbraw/zinc/99/36/65/1055993665.db2.gz YVXKWIJQXRPKDB-BFYDXBDKSA-N 1 0 303.446 4.174 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccncc1 ZINC001620800072 1055994494 /nfs/dbraw/zinc/99/44/94/1055994494.db2.gz WVJHVPBJNNOREK-INIZCTEOSA-N 1 0 317.230 4.251 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCCc2c(cccc2OC)C1)c1ccncc1 ZINC001620799771 1055994786 /nfs/dbraw/zinc/99/47/86/1055994786.db2.gz KIMNTKGSQDHENP-QUCCMNQESA-N 1 0 322.452 4.245 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(C)(C)c1ccccc1 ZINC001620810684 1056006193 /nfs/dbraw/zinc/00/61/93/1056006193.db2.gz XYHBPJBJPOJUGM-HXUWFJFHSA-N 1 0 322.452 4.413 20 30 DIEDRO Cc1ccc(O[C@H](C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001620815291 1056008874 /nfs/dbraw/zinc/00/88/74/1056008874.db2.gz SRPDXACQQLFGAD-QGZVFWFLSA-N 1 0 320.436 4.107 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1ccc(C#C[Si](C)(C)C)nc1 ZINC001239685014 1056025872 /nfs/dbraw/zinc/02/58/72/1056025872.db2.gz XFSJSKCAGIPNTE-UHFFFAOYSA-N 1 0 308.501 4.039 20 30 DIEDRO CC(C)c1ccc(O)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC001621328136 1056036567 /nfs/dbraw/zinc/03/65/67/1056036567.db2.gz LLTNPXBEFRHLAF-UHFFFAOYSA-N 1 0 306.409 4.166 20 30 DIEDRO C[C@H]1CC[C@H](Nc2cccc(CC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001621341517 1056049492 /nfs/dbraw/zinc/04/94/92/1056049492.db2.gz QHBBWTYUOIXZPG-UWJYYQICSA-N 1 0 319.452 4.218 20 30 DIEDRO C=CC(C)(C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001610450213 1056073476 /nfs/dbraw/zinc/07/34/76/1056073476.db2.gz BCGCSDCEFHLTSP-SJLPKXTDSA-N 1 0 316.489 4.080 20 30 DIEDRO C=CCCC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001610892712 1056075756 /nfs/dbraw/zinc/07/57/56/1056075756.db2.gz VYMQXINLARGMAO-UHFFFAOYSA-N 1 0 318.486 4.169 20 30 DIEDRO N#CC1(c2ccccc2-c2cnc3ccccc3c2)CC[NH2+]CC1 ZINC001239797254 1056078743 /nfs/dbraw/zinc/07/87/43/1056078743.db2.gz ZYKGMYMBWPWXGA-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO Cc1csc(C2([NH2+]Cc3ccc(C#N)cc3C)CCCC2)n1 ZINC000186301166 1056093886 /nfs/dbraw/zinc/09/38/86/1056093886.db2.gz URVJFBBQBGDAMO-UHFFFAOYSA-N 1 0 311.454 4.191 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000186323124 1056101620 /nfs/dbraw/zinc/10/16/20/1056101620.db2.gz LXCLQODDIPTPLK-GHTZIAJQSA-N 1 0 320.436 4.124 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000090965534 1056128116 /nfs/dbraw/zinc/12/81/16/1056128116.db2.gz ZUPCFOYTZVHDOW-KKUMJFAQSA-N 1 0 323.864 4.425 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(C#N)cc1F ZINC000765811586 1056153439 /nfs/dbraw/zinc/15/34/39/1056153439.db2.gz DPGNLDWTRXNVMW-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000765812472 1056154343 /nfs/dbraw/zinc/15/43/43/1056154343.db2.gz BCFUWWVMOWMJEQ-KSSFIOAISA-N 1 0 308.429 4.064 20 30 DIEDRO N#Cc1c(F)cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)cc1F ZINC001239921444 1056160345 /nfs/dbraw/zinc/16/03/45/1056160345.db2.gz ZTHYLAQMCRWSCX-UHFFFAOYSA-N 1 0 324.374 4.071 20 30 DIEDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc(C#N)c2ccsc21 ZINC001611731874 1056182583 /nfs/dbraw/zinc/18/25/83/1056182583.db2.gz LBHSBXVECMSPDH-CYBMUJFWSA-N 1 0 316.474 4.090 20 30 DIEDRO Cc1cc(F)c(C#N)c(NCC2([NH+](C)C)CCCCCC2)c1 ZINC001611739901 1056184417 /nfs/dbraw/zinc/18/44/17/1056184417.db2.gz PLYPBQFJPYRYMW-UHFFFAOYSA-N 1 0 303.425 4.072 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CCC(C)C)c1ccc(Cl)cc1 ZINC001543179426 1056185207 /nfs/dbraw/zinc/18/52/07/1056185207.db2.gz JWUDUGPXRMNPSB-KRWDZBQOSA-N 1 0 322.880 4.051 20 30 DIEDRO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001621132799 1056188270 /nfs/dbraw/zinc/18/82/70/1056188270.db2.gz FHTWSIZGOCTCNV-HOTGVXAUSA-N 1 0 306.475 4.035 20 30 DIEDRO N#CC1(c2ccccc2-c2cc(F)cc3[nH]ccc32)CC[NH2+]CC1 ZINC001240042672 1056276671 /nfs/dbraw/zinc/27/66/71/1056276671.db2.gz NSBXSTZSDOUWAF-UHFFFAOYSA-N 1 0 319.383 4.119 20 30 DIEDRO N#Cc1cc2ccccc2nc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240044746 1056278372 /nfs/dbraw/zinc/27/83/72/1056278372.db2.gz KDFRPSJTXPFZHK-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO N#Cc1ccc2ccnc(-c3ccc(C[NH+]4CCCC4)cc3)c2c1 ZINC001240045594 1056280464 /nfs/dbraw/zinc/28/04/64/1056280464.db2.gz RBKLYIFABREUQQ-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001584186492 1056280406 /nfs/dbraw/zinc/28/04/06/1056280406.db2.gz SYYCNRMZRDSWHT-YVNCXZRQSA-N 1 0 320.521 4.284 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2N(C)CC)cc1 ZINC000765849766 1056327068 /nfs/dbraw/zinc/32/70/68/1056327068.db2.gz QARGTAHIMXCTRT-QGZVFWFLSA-N 1 0 322.452 4.006 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(F)c1C#N ZINC000301576327 1056333586 /nfs/dbraw/zinc/33/35/86/1056333586.db2.gz MJILTZIYSPQWGG-KXBFYZLASA-N 1 0 323.415 4.020 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)cc1F ZINC000301594537 1056336867 /nfs/dbraw/zinc/33/68/67/1056336867.db2.gz RNGBFUWLGOFLDT-KXBFYZLASA-N 1 0 323.415 4.020 20 30 DIEDRO N#Cc1cc(Br)ccc1C[N@H+](CC1CC1)C1CCC1 ZINC000554249216 1056349675 /nfs/dbraw/zinc/34/96/75/1056349675.db2.gz GTGAJBSTSDWQTR-UHFFFAOYSA-N 1 0 319.246 4.085 20 30 DIEDRO N#Cc1ccc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)cc1F ZINC001240151599 1056355823 /nfs/dbraw/zinc/35/58/23/1056355823.db2.gz AEWFHGDGTQGRPO-UHFFFAOYSA-N 1 0 304.368 4.012 20 30 DIEDRO N#Cc1c[nH]c2nc(-c3cccc(C[NH+]4CCCCC4)c3)ccc12 ZINC001240162123 1056357747 /nfs/dbraw/zinc/35/77/47/1056357747.db2.gz TZIOFGQPKSOGMN-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO N#Cc1ccc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)cc1F ZINC001240160871 1056358404 /nfs/dbraw/zinc/35/84/04/1056358404.db2.gz PNAUOAZRSXPTHN-WOJBJXKFSA-N 1 0 324.399 4.151 20 30 DIEDRO N#Cc1cc2c(nc1-c1cccc(C[NH+]3CCCCC3)c1)CCC2 ZINC001240167846 1056360308 /nfs/dbraw/zinc/36/03/08/1056360308.db2.gz DXESBJKUXCNVRL-UHFFFAOYSA-N 1 0 317.436 4.095 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccccn1 ZINC000091412038 1056372205 /nfs/dbraw/zinc/37/22/05/1056372205.db2.gz AMRNNBSPZICUPK-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000554719758 1056373015 /nfs/dbraw/zinc/37/30/15/1056373015.db2.gz KFFGGFUPTSXZKO-OALUTQOASA-N 1 0 324.399 4.117 20 30 DIEDRO C[N@H+](CCSc1cccc(Cl)c1C#N)Cc1ccccc1 ZINC001613667284 1056395956 /nfs/dbraw/zinc/39/59/56/1056395956.db2.gz GGEUELKRGVDVEC-UHFFFAOYSA-N 1 0 316.857 4.436 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)cc1F ZINC000404580130 1056401679 /nfs/dbraw/zinc/40/16/79/1056401679.db2.gz YIIMZYBUYPBHRO-CYBMUJFWSA-N 1 0 306.793 4.189 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2c(s1)CCCC2 ZINC000404612786 1056405618 /nfs/dbraw/zinc/40/56/18/1056405618.db2.gz QNKOXERELRVJNJ-GFCCVEGCSA-N 1 0 314.429 4.488 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1OC(F)F ZINC000404774698 1056416552 /nfs/dbraw/zinc/41/65/52/1056416552.db2.gz YSXQDQDFNZJXFA-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO N#Cc1cc(-c2ccc(F)cc2C(F)(F)F)cc(C2C[NH2+]C2)c1 ZINC001240345927 1056439090 /nfs/dbraw/zinc/43/90/90/1056439090.db2.gz UWUSYAJZZOTPTC-UHFFFAOYSA-N 1 0 320.289 4.070 20 30 DIEDRO N#Cc1cc(-c2ccc3cc(F)ccc3c2)cc(C2C[NH2+]C2)c1 ZINC001240350740 1056442033 /nfs/dbraw/zinc/44/20/33/1056442033.db2.gz FPQFGERKYBVAAY-UHFFFAOYSA-N 1 0 302.352 4.204 20 30 DIEDRO Cc1cccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1C(F)(F)F ZINC001240351207 1056442214 /nfs/dbraw/zinc/44/22/14/1056442214.db2.gz MJXLPPIMLRGSHD-UHFFFAOYSA-N 1 0 316.326 4.239 20 30 DIEDRO Cc1ccc(C(F)(F)F)cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240350690 1056442431 /nfs/dbraw/zinc/44/24/31/1056442431.db2.gz DVCHIRJGMYRPNQ-UHFFFAOYSA-N 1 0 316.326 4.239 20 30 DIEDRO Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ccc1C(F)(F)F ZINC001240351554 1056442526 /nfs/dbraw/zinc/44/25/26/1056442526.db2.gz TVFMCPHSLISRBK-UHFFFAOYSA-N 1 0 316.326 4.239 20 30 DIEDRO Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc(C(F)(F)F)c1 ZINC001240350640 1056442555 /nfs/dbraw/zinc/44/25/55/1056442555.db2.gz CSIMHQPNJJNOFK-UHFFFAOYSA-N 1 0 316.326 4.239 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ncnc3ccc(C#N)cc32)cc1 ZINC001240360119 1056443883 /nfs/dbraw/zinc/44/38/83/1056443883.db2.gz HQZGRZANDWZVDF-UHFFFAOYSA-N 1 0 316.408 4.057 20 30 DIEDRO Cc1ccc2cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc(C)c2n1 ZINC001240360739 1056445751 /nfs/dbraw/zinc/44/57/51/1056445751.db2.gz MYTLRNLSNOWNRL-UHFFFAOYSA-N 1 0 313.404 4.077 20 30 DIEDRO N#Cc1cc(-c2ccc(F)c3ccsc32)cc(C2C[NH2+]C2)c1 ZINC001240361288 1056445778 /nfs/dbraw/zinc/44/57/78/1056445778.db2.gz UUQRGKYISSWNKG-UHFFFAOYSA-N 1 0 308.381 4.266 20 30 DIEDRO Cc1cc(CC#N)ccc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240387043 1056468374 /nfs/dbraw/zinc/46/83/74/1056468374.db2.gz LESOQTJYJNXZCG-UHFFFAOYSA-N 1 0 302.421 4.350 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](CCc1ccc(C#N)cc1)Cc1ccccc1 ZINC001615163432 1056469199 /nfs/dbraw/zinc/46/91/99/1056469199.db2.gz BWCAJHRZPYHCLL-KRWDZBQOSA-N 1 0 304.437 4.401 20 30 DIEDRO COc1ccc(CC#N)cc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240386831 1056469612 /nfs/dbraw/zinc/46/96/12/1056469612.db2.gz GHGGQAIDYLASMU-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO N#CCc1ccc(F)cc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240388007 1056471193 /nfs/dbraw/zinc/47/11/93/1056471193.db2.gz YJPFRLDRMVKUQL-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO COc1cc(C2=CCC[N@H+](Cc3ccccc3)C2)ccc1CC#N ZINC001240388674 1056472144 /nfs/dbraw/zinc/47/21/44/1056472144.db2.gz QOBRPESBGFKJHA-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO CC[N@H+](CCOc1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC001615177405 1056472468 /nfs/dbraw/zinc/47/24/68/1056472468.db2.gz WYZMRYKRBDBISJ-UHFFFAOYSA-N 1 0 314.816 4.113 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168664921 1056476044 /nfs/dbraw/zinc/47/60/44/1056476044.db2.gz KXEHNQYNNUISHZ-HKUYNNGSSA-N 1 0 303.446 4.203 20 30 DIEDRO CC[N@H+](C[Si](C)(C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC001615230291 1056480029 /nfs/dbraw/zinc/48/00/29/1056480029.db2.gz VEUVPSANVDTGCU-QGZVFWFLSA-N 1 0 322.528 4.096 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccn1)[C@@H](C)c1cc2ccccc2o1 ZINC001615265504 1056484057 /nfs/dbraw/zinc/48/40/57/1056484057.db2.gz STWBIANASZZUOV-AWEZNQCLSA-N 1 0 305.381 4.283 20 30 DIEDRO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC001615251528 1056485097 /nfs/dbraw/zinc/48/50/97/1056485097.db2.gz BBQNPXNAAGHZTD-OAQYLSRUSA-N 1 0 313.404 4.444 20 30 DIEDRO C#CC[N@H+](C[C@H]1CCCC12CCOCC2)[C@H]1CCc2ccccc21 ZINC001615272070 1056485365 /nfs/dbraw/zinc/48/53/65/1056485365.db2.gz HVWBXFMBJVCMRX-CTNGQTDRSA-N 1 0 323.480 4.206 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(OC)c(C)c1)[C@H]1CCc2ccccc21 ZINC001615272474 1056486439 /nfs/dbraw/zinc/48/64/39/1056486439.db2.gz OKOGVHSDPHFGHT-FQEVSTJZSA-N 1 0 305.421 4.126 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1F ZINC001615319744 1056491530 /nfs/dbraw/zinc/49/15/30/1056491530.db2.gz WFCQMXCVEHPTPL-UHFFFAOYSA-N 1 0 314.379 4.495 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@H](O)c1cccc(C#N)c1 ZINC001615337467 1056495977 /nfs/dbraw/zinc/49/59/77/1056495977.db2.gz LLQOLDFBVOOQIB-UXHICEINSA-N 1 0 308.425 4.065 20 30 DIEDRO CCC[C@H](C)CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001615417364 1056508981 /nfs/dbraw/zinc/50/89/81/1056508981.db2.gz DPTLZGKBTJGOLY-SFHVURJKSA-N 1 0 313.489 4.287 20 30 DIEDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001615435747 1056509433 /nfs/dbraw/zinc/50/94/33/1056509433.db2.gz HPHGJWMQLSCIPA-UHFFFAOYSA-N 1 0 310.388 4.464 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)cc1[N+](=O)[O-] ZINC000921818547 1056514134 /nfs/dbraw/zinc/51/41/34/1056514134.db2.gz PUZHAPATVUIPCO-HNNXBMFYSA-N 1 0 323.396 4.243 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC(C)=O)cc1)CC1CCCCC1 ZINC001615504707 1056524326 /nfs/dbraw/zinc/52/43/26/1056524326.db2.gz GBBSQEAROCRENE-UHFFFAOYSA-N 1 0 301.430 4.180 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC001615524098 1056526417 /nfs/dbraw/zinc/52/64/17/1056526417.db2.gz LZHGCNNQGMFWSP-UHFFFAOYSA-N 1 0 324.399 4.118 20 30 DIEDRO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1C#N ZINC001615559614 1056533052 /nfs/dbraw/zinc/53/30/52/1056533052.db2.gz QYVGWUZGZCUZKV-KXBFYZLASA-N 1 0 308.400 4.384 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnn(CC3CC3)c2)cc1 ZINC001240516229 1056549338 /nfs/dbraw/zinc/54/93/38/1056549338.db2.gz AFRFVOFFOXWSDM-FQEVSTJZSA-N 1 0 307.441 4.283 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC2CCC(C#N)CC2)C12CCCCC2 ZINC001615718909 1056566887 /nfs/dbraw/zinc/56/68/87/1056566887.db2.gz DFSMRKQAYWJHBW-GMNCBBECSA-N 1 0 318.505 4.376 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC2CCC(C#N)CC2)C12CCCCC2 ZINC001615718908 1056567247 /nfs/dbraw/zinc/56/72/47/1056567247.db2.gz DFSMRKQAYWJHBW-CSODTCANSA-N 1 0 318.505 4.376 20 30 DIEDRO COc1ccc2c(c1)C[N@@H+](CCCC#N)[C@@H](C1CCCCC1)C2 ZINC001615876256 1056591004 /nfs/dbraw/zinc/59/10/04/1056591004.db2.gz JCVURWGVMWTIFF-HXUWFJFHSA-N 1 0 312.457 4.306 20 30 DIEDRO CCC(CC)(CC)[NH2+]Cc1cc(C#N)ccc1Br ZINC001615904518 1056592628 /nfs/dbraw/zinc/59/26/28/1056592628.db2.gz NNLAFJKJZYZGQO-UHFFFAOYSA-N 1 0 309.251 4.379 20 30 DIEDRO N#Cc1ccc(CC[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC001615915347 1056596042 /nfs/dbraw/zinc/59/60/42/1056596042.db2.gz XDAZPPRRHROUES-NRFANRHFSA-N 1 0 302.421 4.253 20 30 DIEDRO C=CCCCC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001616014175 1056605843 /nfs/dbraw/zinc/60/58/43/1056605843.db2.gz WFNOWJFUBJRBEI-LPHOPBHVSA-N 1 0 324.509 4.406 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(OC)c(OC)c2)cc1 ZINC001240624529 1056619394 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N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC001616577055 1056681303 /nfs/dbraw/zinc/68/13/03/1056681303.db2.gz RONVSEFRVXWLGT-GOSISDBHSA-N 1 0 308.400 4.467 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC001616700616 1056704498 /nfs/dbraw/zinc/70/44/98/1056704498.db2.gz XCJJERGLRKHJOD-JKSUJKDBSA-N 1 0 303.446 4.327 20 30 DIEDRO Fc1ccc(C#CCNC2(c3ccc(F)cc3F)CCC2)cc1 ZINC001616729799 1056707965 /nfs/dbraw/zinc/70/79/65/1056707965.db2.gz PWQYEVSDKMDINP-UHFFFAOYSA-N 1 0 315.338 4.124 20 30 DIEDRO CC[C@@H]([NH2+]Cc1c(C)cc(C#N)cc1C)c1cccc([N+](=O)[O-])c1 ZINC001616801300 1056720010 /nfs/dbraw/zinc/72/00/10/1056720010.db2.gz JDJBTGUSRCVZLM-LJQANCHMSA-N 1 0 323.396 4.324 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898686 1056734876 /nfs/dbraw/zinc/73/48/76/1056734876.db2.gz GOJWLPYZNTXMLE-UTKZUKDTSA-N 1 0 324.468 4.243 20 30 DIEDRO N#Cc1cc(Br)ccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000311631991 1056743075 /nfs/dbraw/zinc/74/30/75/1056743075.db2.gz 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N#Cc1cccc(C2([NH2+]CC[C@H]3CCc4ccccc43)CC2)c1 ZINC001617868347 1056893848 /nfs/dbraw/zinc/89/38/48/1056893848.db2.gz OSZXWPSKOCREFA-GOSISDBHSA-N 1 0 302.421 4.257 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(OC)c(Cl)c2)c1 ZINC000132381038 1056905962 /nfs/dbraw/zinc/90/59/62/1056905962.db2.gz OZHALUDZRQHGOA-UHFFFAOYSA-N 1 0 317.816 4.203 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001618048868 1056918507 /nfs/dbraw/zinc/91/85/07/1056918507.db2.gz VTZSCMSQTPWAED-CQSZACIVSA-N 1 0 314.654 4.302 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001618047594 1056918574 /nfs/dbraw/zinc/91/85/74/1056918574.db2.gz DZHMCZFJQHXJMI-OAQYLSRUSA-N 1 0 316.448 4.278 20 30 DIEDRO C=C(C)CC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001618083650 1056922522 /nfs/dbraw/zinc/92/25/22/1056922522.db2.gz AMSVIBWOJUNKLL-HNNXBMFYSA-N 1 0 308.263 4.280 20 30 DIEDRO C=C(C)CN1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001618122795 1056925075 /nfs/dbraw/zinc/92/50/75/1056925075.db2.gz 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20 30 DIEDRO N#Cc1cc(F)cc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001241660335 1057126604 /nfs/dbraw/zinc/12/66/04/1057126604.db2.gz OABWJQIXHWFTLP-PMACEKPBSA-N 1 0 324.399 4.151 20 30 DIEDRO COc1ccc(-c2cc(F)cc(C#N)c2)cc1C[NH+]1CCCCC1 ZINC001241660449 1057126631 /nfs/dbraw/zinc/12/66/31/1057126631.db2.gz RNRIGYAOIUWLJR-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#Cc1cc(F)cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001241660408 1057126662 /nfs/dbraw/zinc/12/66/62/1057126662.db2.gz QSEFWSMWOISPPA-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO N#Cc1ccc(CN(Cc2cccs2)C2CC2)c(Cl)c1 ZINC000162882047 1057153471 /nfs/dbraw/zinc/15/34/71/1057153471.db2.gz YJZGTDYYZSQKFQ-UHFFFAOYSA-N 1 0 302.830 4.438 20 30 DIEDRO C[C@H](NCc1ccccc1C#N)c1ccc(-c2cccnc2)cc1 ZINC000163055768 1057157432 /nfs/dbraw/zinc/15/74/32/1057157432.db2.gz UFCQGXVANNVLRQ-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(F)c(CO)c2)cc1 ZINC001241798614 1057169215 /nfs/dbraw/zinc/16/92/15/1057169215.db2.gz 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ZINC001241932325 1057215891 /nfs/dbraw/zinc/21/58/91/1057215891.db2.gz OGMRBJHAVWCFAS-HXUWFJFHSA-N 1 0 323.436 4.177 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000674251598 1057222968 /nfs/dbraw/zinc/22/29/68/1057222968.db2.gz TWVQCBRSUGFOFE-OAHLLOKOSA-N 1 0 319.326 4.139 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000658058367 1057245906 /nfs/dbraw/zinc/24/59/06/1057245906.db2.gz BFYPPXUKDJQWOF-OTBWCIGPSA-N 1 0 317.477 4.383 20 30 DIEDRO CC(C)c1ccc(C#N)c(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC001242116726 1057267409 /nfs/dbraw/zinc/26/74/09/1057267409.db2.gz OTOCWZOPXUVEMQ-UHFFFAOYSA-N 1 0 305.425 4.339 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CSc3ccccc32)cc1 ZINC000766072118 1057285635 /nfs/dbraw/zinc/28/56/35/1057285635.db2.gz PZNCEVYPIFBCPM-KSSFIOAISA-N 1 0 309.434 4.196 20 30 DIEDRO CC(C)Oc1ccccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001242224930 1057300224 /nfs/dbraw/zinc/30/02/24/1057300224.db2.gz DPBSVFPJGLDKPV-UHFFFAOYSA-N 1 0 320.436 4.286 20 30 DIEDRO N#CC1(c2ccccc2C2=CCC(F)(F)CC2)CC[NH2+]CC1 ZINC001242233299 1057305279 /nfs/dbraw/zinc/30/52/79/1057305279.db2.gz YBJITSHIHXWYGP-UHFFFAOYSA-N 1 0 302.368 4.034 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2COc3c2cccc3Cl)cc1 ZINC000675103340 1057316133 /nfs/dbraw/zinc/31/61/33/1057316133.db2.gz PBNMPRUPJVPVPL-KRWDZBQOSA-N 1 0 315.800 4.128 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2cccc(OC)c2C#N)cc1F ZINC001242299502 1057326364 /nfs/dbraw/zinc/32/63/64/1057326364.db2.gz PVCFFENZGJKOJA-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO COc1ccc(C2=CC(=O)CC(C)(C)C2)cc1C[NH+]1CCCC1 ZINC001242317922 1057332763 /nfs/dbraw/zinc/33/27/63/1057332763.db2.gz HJIBVPDOANGDQT-UHFFFAOYSA-N 1 0 313.441 4.064 20 30 DIEDRO CC1(C)CC(=O)C=C(c2ccc(F)c(C[NH+]3CCCC3)c2)C1 ZINC001242318210 1057332809 /nfs/dbraw/zinc/33/28/09/1057332809.db2.gz VOTOLPBYGNSYOZ-UHFFFAOYSA-N 1 0 301.405 4.194 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(F)ccc2CO)cc1 ZINC001242343021 1057339783 /nfs/dbraw/zinc/33/97/83/1057339783.db2.gz MYUFFCQFPQLFDM-FQEVSTJZSA-N 1 0 311.400 4.308 20 30 DIEDRO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1 ZINC000245902779 1057347976 /nfs/dbraw/zinc/34/79/76/1057347976.db2.gz ODGGWVZWTXHPOP-YRISNDGFSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@@H]([NH2+]CCCCOCc1ccccc1)c1ccc(C#N)cc1 ZINC000174022627 1057348368 /nfs/dbraw/zinc/34/83/68/1057348368.db2.gz HGDKTNYWXZRLNT-QGZVFWFLSA-N 1 0 308.425 4.206 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000174104367 1057350677 /nfs/dbraw/zinc/35/06/77/1057350677.db2.gz AAMMATFIQJIVKB-KXBFYZLASA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1cccc2c(CC[NH2+][C@H](C)c3ccc(C#N)cc3)c[nH]c21 ZINC000174149647 1057351482 /nfs/dbraw/zinc/35/14/82/1057351482.db2.gz FVJXTYOXYLQUPF-OAHLLOKOSA-N 1 0 303.409 4.241 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174281737 1057356169 /nfs/dbraw/zinc/35/61/69/1057356169.db2.gz KOOCXLIXPAWYFF-OAHLLOKOSA-N 1 0 312.413 4.049 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(C)=O)nc2)cc1 ZINC001242403463 1057359360 /nfs/dbraw/zinc/35/93/60/1057359360.db2.gz QEMWWCKSMAPGHL-HXUWFJFHSA-N 1 0 306.409 4.274 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(OC)ncc2OC)cc1 ZINC001242429913 1057365159 /nfs/dbraw/zinc/36/51/59/1057365159.db2.gz XXXBQSAZTZUTOQ-GOSISDBHSA-N 1 0 324.424 4.089 20 30 DIEDRO COc1cccc(-c2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)c1 ZINC000174566919 1057365861 /nfs/dbraw/zinc/36/58/61/1057365861.db2.gz WFTNONMKHVHPSO-UHFFFAOYSA-N 1 0 318.376 4.117 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246338375 1057365904 /nfs/dbraw/zinc/36/59/04/1057365904.db2.gz FAAJPJOLYVOKGC-HBUWYVDXSA-N 1 0 312.438 4.143 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1cc(C)cc(C#N)c1 ZINC001242480812 1057379488 /nfs/dbraw/zinc/37/94/88/1057379488.db2.gz SDFXWTDLAZSSJI-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1Cl ZINC000675645635 1057392988 /nfs/dbraw/zinc/39/29/88/1057392988.db2.gz LTHACGNSSUVNPK-LBPRGKRZSA-N 1 0 301.764 4.182 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)c(F)c2)cc1 ZINC001242533161 1057395774 /nfs/dbraw/zinc/39/57/74/1057395774.db2.gz AYEROKQCBKEXGW-HXUWFJFHSA-N 1 0 311.400 4.308 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3cc(C#N)ccc3C)c(C)c2)CC1 ZINC001242541191 1057398454 /nfs/dbraw/zinc/39/84/54/1057398454.db2.gz XSKRNXPOLUGSJE-UHFFFAOYSA-N 1 0 317.436 4.346 20 30 DIEDRO Cc1ccc(C#N)cc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC001242543221 1057399168 /nfs/dbraw/zinc/39/91/68/1057399168.db2.gz WHYDLYKXEGXEFO-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c1 ZINC001242568284 1057407776 /nfs/dbraw/zinc/40/77/76/1057407776.db2.gz ZFECUPLJPHRHDO-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3ccc(F)cc3C#N)c(C)c2)CC1 ZINC001242581244 1057414083 /nfs/dbraw/zinc/41/40/83/1057414083.db2.gz ZKYPLYDNARCNII-UHFFFAOYSA-N 1 0 321.399 4.177 20 30 DIEDRO C=C(C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000675783597 1057414183 /nfs/dbraw/zinc/41/41/83/1057414183.db2.gz LYCVKUMLRIGTHR-QGZVFWFLSA-N 1 0 322.452 4.324 20 30 DIEDRO Cc1ccc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)c(C#N)c1 ZINC001242595320 1057417990 /nfs/dbraw/zinc/41/79/90/1057417990.db2.gz QLSRHIZWHOCOAE-UHFFFAOYSA-N 1 0 303.409 4.119 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(CO)ccc2C)cc1 ZINC001242670745 1057442256 /nfs/dbraw/zinc/44/22/56/1057442256.db2.gz RURKGZNCYWBBKA-OAQYLSRUSA-N 1 0 307.437 4.477 20 30 DIEDRO N#CCc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1C(F)(F)F ZINC001242674185 1057443974 /nfs/dbraw/zinc/44/39/74/1057443974.db2.gz MXAAIRVKOGSNAW-UHFFFAOYSA-N 1 0 302.299 4.042 20 30 DIEDRO N#CC1(c2ccccc2-c2cnc3sccc3c2)CC[NH2+]CC1 ZINC001242682494 1057445963 /nfs/dbraw/zinc/44/59/63/1057445963.db2.gz QSPRINSHHXGTII-UHFFFAOYSA-N 1 0 319.433 4.108 20 30 DIEDRO N#Cc1cc(C(F)(F)F)cnc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242688314 1057446793 /nfs/dbraw/zinc/44/67/93/1057446793.db2.gz IEJGHZPVRWLAJG-OAHLLOKOSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1ccc2nccc(C3=CC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC001242693653 1057449589 /nfs/dbraw/zinc/44/95/89/1057449589.db2.gz JYBXRLLCACHLMI-KRWDZBQOSA-N 1 0 303.409 4.138 20 30 DIEDRO N#CCc1c[nH]c2cccc(C3=CC[C@@H]([NH+]4CCCC4)CC3)c12 ZINC001242693146 1057449769 /nfs/dbraw/zinc/44/97/69/1057449769.db2.gz JKRVAPDBLRSLDD-QGZVFWFLSA-N 1 0 305.425 4.266 20 30 DIEDRO N#Cc1cnc2cc(C3=CC[C@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC001242692648 1057449845 /nfs/dbraw/zinc/44/98/45/1057449845.db2.gz HLROITYSQJKDMT-IBGZPJMESA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1nc2c(cccc2C2=CC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC001242695502 1057450486 /nfs/dbraw/zinc/45/04/86/1057450486.db2.gz CPWPYRMFGYJZFR-CQSZACIVSA-N 1 0 309.438 4.200 20 30 DIEDRO N#Cc1c2cccnc2ccc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242695768 1057451124 /nfs/dbraw/zinc/45/11/24/1057451124.db2.gz VQYSHOXZJITENJ-MRXNPFEDSA-N 1 0 303.409 4.138 20 30 DIEDRO CCc1cc(OC)ccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001242699456 1057452690 /nfs/dbraw/zinc/45/26/90/1057452690.db2.gz CQPFZYUOKPOBPQ-UHFFFAOYSA-N 1 0 320.436 4.069 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001242730001 1057461067 /nfs/dbraw/zinc/46/10/67/1057461067.db2.gz XYHJGKRTXHKXOF-HXUWFJFHSA-N 1 0 322.456 4.080 20 30 DIEDRO C[C@H]1CC(=O)C=C(c2[nH+]ccc3c2ccn3Cc2ccccc2)C1 ZINC001242736738 1057463929 /nfs/dbraw/zinc/46/39/29/1057463929.db2.gz ITSKMMPTEJIROZ-OAHLLOKOSA-N 1 0 316.404 4.467 20 30 DIEDRO COc1ccc(C2=CC(=O)C[C@H](C)C2)c(C[NH+]2CCCCC2)c1 ZINC001242742505 1057465422 /nfs/dbraw/zinc/46/54/22/1057465422.db2.gz RWGXEZKGGWWPQK-OAHLLOKOSA-N 1 0 313.441 4.064 20 30 DIEDRO CC(C)(C#N)CCCN1Cc2ccc(Br)cc2C1 ZINC000707988109 1057499900 /nfs/dbraw/zinc/49/99/00/1057499900.db2.gz VWWLPRPRMXHVAR-UHFFFAOYSA-N 1 0 307.235 4.095 20 30 DIEDRO C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(C#N)cc1 ZINC000035256310 1057500270 /nfs/dbraw/zinc/50/02/70/1057500270.db2.gz URUYLJWJQQEYFG-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000625769428 1057513393 /nfs/dbraw/zinc/51/33/93/1057513393.db2.gz PRAZFXLSKZQPJK-UHFFFAOYSA-N 1 0 317.301 4.178 20 30 DIEDRO C#CCC1([NH2+]Cc2csc(-c3ccccn3)n2)CCCCC1 ZINC000922984399 1057519131 /nfs/dbraw/zinc/51/91/31/1057519131.db2.gz SISODXZIUJDFHV-UHFFFAOYSA-N 1 0 311.454 4.021 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc(Cl)cc2c1OCC2 ZINC000922986174 1057519545 /nfs/dbraw/zinc/51/95/45/1057519545.db2.gz DFSPWLRECMYVRF-JTQLQIEISA-N 1 0 318.829 4.059 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2c(C)noc2CC)cc1Cl ZINC000922989137 1057519989 /nfs/dbraw/zinc/51/99/89/1057519989.db2.gz ZJYDKXLLPIPMHC-UHFFFAOYSA-N 1 0 320.820 4.053 20 30 DIEDRO CCOc1ccc(F)c(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001242938004 1057523815 /nfs/dbraw/zinc/52/38/15/1057523815.db2.gz BQSOCTTWTJGONJ-UHFFFAOYSA-N 1 0 324.399 4.036 20 30 DIEDRO CC#Cc1cncc(-c2ccc(C)cc2C[NH+]2CCCCC2)c1 ZINC001242942286 1057524983 /nfs/dbraw/zinc/52/49/83/1057524983.db2.gz ZXRICSKIGULGHJ-UHFFFAOYSA-N 1 0 304.437 4.414 20 30 DIEDRO CSc1ccccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001242943712 1057525047 /nfs/dbraw/zinc/52/50/47/1057525047.db2.gz KVHZYIMZPIKMML-UHFFFAOYSA-N 1 0 308.450 4.220 20 30 DIEDRO C[NH2+]Cc1ccc(-c2nc(-c3ccc(F)cc3)ccc2C#N)cc1 ZINC001242988722 1057537676 /nfs/dbraw/zinc/53/76/76/1057537676.db2.gz NCEUPRSVLGEHIF-UHFFFAOYSA-N 1 0 317.367 4.146 20 30 DIEDRO C[NH2+]Cc1cccc(-c2nc(-c3ccc(F)cc3)ccc2C#N)c1 ZINC001242993777 1057539272 /nfs/dbraw/zinc/53/92/72/1057539272.db2.gz JXECQUUWXDQVIB-UHFFFAOYSA-N 1 0 317.367 4.146 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429436881 1057549352 /nfs/dbraw/zinc/54/93/52/1057549352.db2.gz XIVNWSLPKILOLW-IPMKNSEASA-N 1 0 305.437 4.016 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1cn2cccc(C)c2n1)c1ccco1 ZINC000671749679 1057557389 /nfs/dbraw/zinc/55/73/89/1057557389.db2.gz GTVWSHKZNLVANK-QGZVFWFLSA-N 1 0 309.413 4.075 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1cn2cccc(C)c2n1)c1ccco1 ZINC000671749678 1057557674 /nfs/dbraw/zinc/55/76/74/1057557674.db2.gz GTVWSHKZNLVANK-KRWDZBQOSA-N 1 0 309.413 4.075 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)c1ccco1 ZINC000671762126 1057558472 /nfs/dbraw/zinc/55/84/72/1057558472.db2.gz DADDXTOUIATQME-ICSRJNTNSA-N 1 0 313.441 4.118 20 30 DIEDRO CC(C)(C#N)CC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000611462714 1057600278 /nfs/dbraw/zinc/60/02/78/1057600278.db2.gz YMKVDOHXIRSQSF-UHFFFAOYSA-N 1 0 309.251 4.214 20 30 DIEDRO CCCOc1ccccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001243127966 1057582094 /nfs/dbraw/zinc/58/20/94/1057582094.db2.gz NEXPGPJDAMSJMN-UHFFFAOYSA-N 1 0 320.436 4.287 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1CCC1 ZINC000611120178 1057583213 /nfs/dbraw/zinc/58/32/13/1057583213.db2.gz BSUFARSDFQNIQD-INIZCTEOSA-N 1 0 320.436 4.415 20 30 DIEDRO CC(C)c1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)on1 ZINC000611255157 1057586926 /nfs/dbraw/zinc/58/69/26/1057586926.db2.gz OFJSLOFFQOTTRR-UHFFFAOYSA-N 1 0 323.440 4.292 20 30 DIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccncc1 ZINC000611255208 1057587099 /nfs/dbraw/zinc/58/70/99/1057587099.db2.gz ARJJKSUVBJNUMO-RPCJCACASA-N 1 0 319.452 4.179 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCOc2ccccc21 ZINC000611254807 1057587412 /nfs/dbraw/zinc/58/74/12/1057587412.db2.gz UBZXIYCRYCPGPY-IBGZPJMESA-N 1 0 320.436 4.335 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258481 1057587485 /nfs/dbraw/zinc/58/74/85/1057587485.db2.gz SXHVHGCKTHLDCE-UHFFFAOYSA-N 1 0 319.452 4.262 20 30 DIEDRO Cc1noc(C)c1[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611255155 1057587533 /nfs/dbraw/zinc/58/75/33/1057587533.db2.gz OEXJCZGUFRRWBS-FHTBDLFWSA-N 1 0 323.440 4.346 20 30 DIEDRO C[C@@H]([NH2+]CCc1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000611386246 1057594430 /nfs/dbraw/zinc/59/44/30/1057594430.db2.gz GVTMIBUEOLKIBJ-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(F)cc2cccnc21)c1cccc(C#N)c1 ZINC000611388505 1057594857 /nfs/dbraw/zinc/59/48/57/1057594857.db2.gz PJEQKJQFIHMHFE-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CSc2ccccc21 ZINC000611393442 1057595197 /nfs/dbraw/zinc/59/51/97/1057595197.db2.gz UFWYGWHNTSLVDY-ROUUACIJSA-N 1 0 306.434 4.372 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](CCCO)c1ccccc1 ZINC000611393248 1057595716 /nfs/dbraw/zinc/59/57/16/1057595716.db2.gz QYWSFNWIFAGAEZ-SFTDATJTSA-N 1 0 320.436 4.039 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1[N+](=O)[O-] ZINC000611395300 1057596199 /nfs/dbraw/zinc/59/61/99/1057596199.db2.gz KGPZNYVSXHRSLZ-FZKQIMNGSA-N 1 0 321.380 4.195 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Cc1cccs1 ZINC000611393542 1057596345 /nfs/dbraw/zinc/59/63/45/1057596345.db2.gz VYRWASGFUKXJGE-IFXJQAMLSA-N 1 0 310.466 4.466 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393810 1057596380 /nfs/dbraw/zinc/59/63/80/1057596380.db2.gz MMAPGHHALAJNLV-HXUWFJFHSA-N 1 0 320.436 4.433 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1c(C)noc1C ZINC000611394372 1057596660 /nfs/dbraw/zinc/59/66/60/1057596660.db2.gz GBLSTHAIMQNUMU-MSOLQXFVSA-N 1 0 309.413 4.281 20 30 DIEDRO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1ccnc(C#N)c1)C(C)C ZINC000611394126 1057596788 /nfs/dbraw/zinc/59/67/88/1057596788.db2.gz KRJHBVCHJLMEMY-IBGZPJMESA-N 1 0 319.408 4.495 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000611394720 1057597023 /nfs/dbraw/zinc/59/70/23/1057597023.db2.gz YOJFHBPPYFLBDG-YUMYIRISSA-N 1 0 314.432 4.111 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000611394941 1057597038 /nfs/dbraw/zinc/59/70/38/1057597038.db2.gz WGSLBGGRADLSCJ-JBACZVJFSA-N 1 0 302.421 4.156 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCSc1ccccc1 ZINC000611390172 1057597298 /nfs/dbraw/zinc/59/72/98/1057597298.db2.gz HOZVRRUITZENBF-IBGZPJMESA-N 1 0 308.450 4.318 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000611394940 1057597507 /nfs/dbraw/zinc/59/75/07/1057597507.db2.gz WGSLBGGRADLSCJ-HLAWJBBLSA-N 1 0 302.421 4.156 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391191 1057598402 /nfs/dbraw/zinc/59/84/02/1057598402.db2.gz ZFJJLOVOXFZSLB-XPGWFJOJSA-N 1 0 312.457 4.121 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)c(F)c1 ZINC000611439174 1057600287 /nfs/dbraw/zinc/60/02/87/1057600287.db2.gz INGCSOIJLVYLGW-UHFFFAOYSA-N 1 0 324.399 4.219 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000611465991 1057601431 /nfs/dbraw/zinc/60/14/31/1057601431.db2.gz FBOCRIPUROXFMN-GJZGRUSLSA-N 1 0 308.400 4.153 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000611465988 1057601493 /nfs/dbraw/zinc/60/14/93/1057601493.db2.gz FBOCRIPUROXFMN-CABCVRRESA-N 1 0 308.400 4.153 20 30 DIEDRO CC(C)(C)c1ccc(OCC[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000611541815 1057606177 /nfs/dbraw/zinc/60/61/77/1057606177.db2.gz FNGZHODPFLHEHO-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO C=CCn1ccc2c1ncnc2-c1ccccc1C[NH+](CC)CC ZINC001243334341 1057649766 /nfs/dbraw/zinc/64/97/66/1057649766.db2.gz ADPIGHULQUIHHX-UHFFFAOYSA-N 1 0 320.440 4.126 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(F)c(C#N)c1F ZINC001243336279 1057650622 /nfs/dbraw/zinc/65/06/22/1057650622.db2.gz NXWSMBKYGRKDHT-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000165894207 1057658207 /nfs/dbraw/zinc/65/82/07/1057658207.db2.gz AUZMXLWLLXHNDJ-NSHDSACASA-N 1 0 305.219 4.052 20 30 DIEDRO C(=[NH+]NC1CCCC1)c1cc2ccccc2nc1N1CCCCC1 ZINC000727652100 1057662600 /nfs/dbraw/zinc/66/26/00/1057662600.db2.gz IWGYZPKTAHMKQV-UHFFFAOYSA-N 1 0 322.456 4.091 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2nc(C)cs2)c(O)c1 ZINC000727653006 1057663066 /nfs/dbraw/zinc/66/30/66/1057663066.db2.gz ABPFVBSOQQOADE-VQIMKDEXSA-N 1 0 317.458 4.183 20 30 DIEDRO N#CCOc1ccccc1-c1ccccc1C[NH+]1CCCCC1 ZINC001243585039 1057724779 /nfs/dbraw/zinc/72/47/79/1057724779.db2.gz WSGMJRQZXYLABF-UHFFFAOYSA-N 1 0 306.409 4.242 20 30 DIEDRO CCCCCCCCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730763098 1057724952 /nfs/dbraw/zinc/72/49/52/1057724952.db2.gz JBGFHEQANHWRFW-SFHVURJKSA-N 1 0 308.510 4.214 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccccc2OCC#N)nc1 ZINC001243585960 1057724924 /nfs/dbraw/zinc/72/49/24/1057724924.db2.gz QTJOLNIQXVSHTN-LJQANCHMSA-N 1 0 321.424 4.198 20 30 DIEDRO N#CCOc1ccccc1-c1ccc(F)c(C[NH+]2CCCCC2)c1 ZINC001243587554 1057725407 /nfs/dbraw/zinc/72/54/07/1057725407.db2.gz XTIQTJGDDJQPAB-UHFFFAOYSA-N 1 0 324.399 4.381 20 30 DIEDRO CC(C)C1=[NH+]CCc2ccc(-c3ccccc3OCC#N)cc21 ZINC001243588752 1057725425 /nfs/dbraw/zinc/72/54/25/1057725425.db2.gz PECRCSRDCDUVPV-UHFFFAOYSA-N 1 0 304.393 4.257 20 30 DIEDRO CC[NH+](CC)Cc1cc(C)ccc1-c1ccc(OCC#N)cc1 ZINC001243591839 1057726500 /nfs/dbraw/zinc/72/65/00/1057726500.db2.gz YRRRXCOPQHCGQG-UHFFFAOYSA-N 1 0 308.425 4.406 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCCc2ccccc21 ZINC000731210540 1057737232 /nfs/dbraw/zinc/73/72/32/1057737232.db2.gz QIVIBJGZZARXLF-FQEVSTJZSA-N 1 0 306.409 4.098 20 30 DIEDRO CC[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731210606 1057737256 /nfs/dbraw/zinc/73/72/56/1057737256.db2.gz VKNFTWFBPQHVPW-KRWDZBQOSA-N 1 0 308.425 4.390 20 30 DIEDRO Cc1ccc(C2=CC[N@H+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000731210383 1057737619 /nfs/dbraw/zinc/73/76/19/1057737619.db2.gz JFEFGTVXXAHOGQ-UHFFFAOYSA-N 1 0 318.420 4.187 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000731212791 1057737846 /nfs/dbraw/zinc/73/78/46/1057737846.db2.gz LICUBQCAOCPINJ-HXUWFJFHSA-N 1 0 320.436 4.044 20 30 DIEDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731211351 1057737911 /nfs/dbraw/zinc/73/79/11/1057737911.db2.gz HNECOZTYEYKMPI-QGZVFWFLSA-N 1 0 320.436 4.390 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000731212822 1057738028 /nfs/dbraw/zinc/73/80/28/1057738028.db2.gz UKOSNIFZCIFQSS-HXUWFJFHSA-N 1 0 320.436 4.359 20 30 DIEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731211563 1057738273 /nfs/dbraw/zinc/73/82/73/1057738273.db2.gz ODVXNHGWOLEREW-AWEZNQCLSA-N 1 0 314.816 4.435 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3cc(F)ccc3CC#N)cc2)CC1 ZINC001243652728 1057744482 /nfs/dbraw/zinc/74/44/82/1057744482.db2.gz PYIVRWQGUXARJJ-UHFFFAOYSA-N 1 0 308.400 4.368 20 30 DIEDRO C#CCN(Cc1ncc(-c2cccs2)o1)C1CCCCC1 ZINC000731479896 1057745461 /nfs/dbraw/zinc/74/54/61/1057745461.db2.gz AVPMTMUBROAEMQ-UHFFFAOYSA-N 1 0 300.427 4.171 20 30 DIEDRO CC[C@@H](C#N)c1ccc(-c2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001243670796 1057749816 /nfs/dbraw/zinc/74/98/16/1057749816.db2.gz BEVBKGLHAQVQIZ-KRWDZBQOSA-N 1 0 319.452 4.123 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000731678145 1057751922 /nfs/dbraw/zinc/75/19/22/1057751922.db2.gz HUCFJXWXYHHVPK-UHFFFAOYSA-N 1 0 323.461 4.113 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(F)cc(CO)c2)cc1 ZINC001243695785 1057755805 /nfs/dbraw/zinc/75/58/05/1057755805.db2.gz AJWAYSRZJWAAQT-FQEVSTJZSA-N 1 0 311.400 4.308 20 30 DIEDRO N#C[C@@H]1CC=C(c2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)CC1 ZINC001243793370 1057780793 /nfs/dbraw/zinc/78/07/93/1057780793.db2.gz BTHDZQJVHQJZCG-QAPCUYQASA-N 1 0 320.440 4.058 20 30 DIEDRO N#C[C@@H]1CC=C(c2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)CC1 ZINC001243793367 1057780865 /nfs/dbraw/zinc/78/08/65/1057780865.db2.gz BTHDZQJVHQJZCG-CRAIPNDOSA-N 1 0 320.440 4.058 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000733313562 1057811560 /nfs/dbraw/zinc/81/15/60/1057811560.db2.gz WVSRISRNAGBEJU-NRFANRHFSA-N 1 0 320.436 4.143 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000733325047 1057812562 /nfs/dbraw/zinc/81/25/62/1057812562.db2.gz UHRKKSCDASGACC-KXBFYZLASA-N 1 0 309.409 4.095 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(OCCC)cc2)cc1 ZINC000733326162 1057812712 /nfs/dbraw/zinc/81/27/12/1057812712.db2.gz LQZXNBYGVHWSNX-QGZVFWFLSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(OCC(C)C)c2)cc1 ZINC000733325458 1057812841 /nfs/dbraw/zinc/81/28/41/1057812841.db2.gz NDHCFGZPODGYRY-UHFFFAOYSA-N 1 0 323.436 4.023 20 30 DIEDRO CC[NH+](CC)Cc1cncc(-c2cccc(C3(C#N)CC3)c2)c1 ZINC001244077259 1057860615 /nfs/dbraw/zinc/86/06/15/1057860615.db2.gz YSBJVDRFBPQSJP-UHFFFAOYSA-N 1 0 305.425 4.146 20 30 DIEDRO Cc1ccc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)cc1C#N ZINC001244480419 1057971673 /nfs/dbraw/zinc/97/16/73/1057971673.db2.gz WLSKZLQCWJLBCU-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO COc1ccc(-c2cc(C#N)ccc2F)cc1C[NH+]1CCCCC1 ZINC001244558903 1057995392 /nfs/dbraw/zinc/99/53/92/1057995392.db2.gz UQQAWNXTTZSZMC-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cc(C#N)ccc2F)ccc1F ZINC001244558173 1057995693 /nfs/dbraw/zinc/99/56/93/1057995693.db2.gz KJJPLXNXVQDZQJ-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(OC)c(C#N)c2)nc1 ZINC001244708565 1058032712 /nfs/dbraw/zinc/03/27/12/1058032712.db2.gz WVHJMFPAWJORTD-IBGZPJMESA-N 1 0 321.424 4.176 20 30 DIEDRO CC[NH+]1CCC(c2ccc(-c3ccc(OC)c(C#N)c3)cc2)CC1 ZINC001244710797 1058033459 /nfs/dbraw/zinc/03/34/59/1058033459.db2.gz NQTZCWMDKHOKNB-UHFFFAOYSA-N 1 0 320.436 4.433 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2ccc(C3(C#N)CCC3)cc2)c1F ZINC001244865422 1058060317 /nfs/dbraw/zinc/06/03/17/1058060317.db2.gz SJLUVIHSCZPFPX-UHFFFAOYSA-N 1 0 308.400 4.500 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2cccc3[nH]cc(CC#N)c32)c1F ZINC001244866169 1058060529 /nfs/dbraw/zinc/06/05/29/1058060529.db2.gz IMOIVPFPBNUXDJ-UHFFFAOYSA-N 1 0 307.372 4.102 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cccc(C#N)c2F)nc1 ZINC001245069434 1058106372 /nfs/dbraw/zinc/10/63/72/1058106372.db2.gz RABIWFNCNYZKFM-GOSISDBHSA-N 1 0 309.388 4.306 20 30 DIEDRO Cc1cccc2[nH]c(-c3ccccc3C3(C#N)CC[NH2+]CC3)cc21 ZINC001245343461 1058148095 /nfs/dbraw/zinc/14/80/95/1058148095.db2.gz QJHZBBDGTUFLTR-UHFFFAOYSA-N 1 0 315.420 4.288 20 30 DIEDRO N#Cc1nc2c(cccc2-c2ccc([C@@H]3CCC[NH2+]3)cc2)s1 ZINC001245359600 1058152147 /nfs/dbraw/zinc/15/21/47/1058152147.db2.gz WPSKFQWTEWACGP-HNNXBMFYSA-N 1 0 305.406 4.259 20 30 DIEDRO Cc1cc(-c2ccc(COC3CC[NH2+]CC3)cc2)cc(C)c1C#N ZINC001245410006 1058161955 /nfs/dbraw/zinc/16/19/55/1058161955.db2.gz LMUWXNMQRKVMFN-UHFFFAOYSA-N 1 0 320.436 4.111 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001245426008 1058164592 /nfs/dbraw/zinc/16/45/92/1058164592.db2.gz LQPILRJTEVPKCE-NHCUHLMSSA-N 1 0 324.468 4.218 20 30 DIEDRO C=C(C)CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001516575877 1058181747 /nfs/dbraw/zinc/18/17/47/1058181747.db2.gz HNRYGSMEAWKRCR-INIZCTEOSA-N 1 0 300.446 4.356 20 30 DIEDRO N#Cc1ccc(-c2ccc(CO[C@H]3CCCC[C@@H]3[NH3+])c(F)c2)cc1 ZINC001245497411 1058185521 /nfs/dbraw/zinc/18/55/21/1058185521.db2.gz YGKWOGXDFZGUDY-PMACEKPBSA-N 1 0 324.399 4.151 20 30 DIEDRO COc1ccc(-c2ccc(C#N)cc2)cc1C[NH+]1CCCCC1 ZINC001245497355 1058185924 /nfs/dbraw/zinc/18/59/24/1058185924.db2.gz BRTZZLRHAVIXHX-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(N)c(OC)c2)cc1 ZINC001245505975 1058188990 /nfs/dbraw/zinc/18/89/90/1058188990.db2.gz PJHDQAALPJZVOK-IBGZPJMESA-N 1 0 308.425 4.267 20 30 DIEDRO CC(C)c1ccc(C#N)c(-c2ccc(C3CC[NH2+]CC3)cc2)n1 ZINC001245521780 1058196148 /nfs/dbraw/zinc/19/61/48/1058196148.db2.gz FTXSSAQJJBXWTE-UHFFFAOYSA-N 1 0 305.425 4.211 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001545434675 1058201401 /nfs/dbraw/zinc/20/14/01/1058201401.db2.gz JRTMBFRMHNREOY-OTWHNJEPSA-N 1 0 322.537 4.316 20 30 DIEDRO Cc1ccc(C#N)c(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c1 ZINC001245605097 1058282415 /nfs/dbraw/zinc/28/24/15/1058282415.db2.gz YXHJSQXDTACZSR-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO Cc1ccc(C#N)c(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c1 ZINC001245604991 1058284097 /nfs/dbraw/zinc/28/40/97/1058284097.db2.gz VECGEJQFHQHMCS-UHFFFAOYSA-N 1 0 300.405 4.182 20 30 DIEDRO C=C(CC(C)C)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC001528036541 1058304636 /nfs/dbraw/zinc/30/46/36/1058304636.db2.gz GYNAQMSVFJYQKL-UHFFFAOYSA-N 1 0 300.446 4.132 20 30 DIEDRO C=CC(C)(C)CC(=O)N(C[C@@H](C)[NH+](C)C)c1c(C)cccc1C ZINC001528354714 1058400457 /nfs/dbraw/zinc/40/04/57/1058400457.db2.gz XDFAWXNWHOTVRV-QGZVFWFLSA-N 1 0 316.489 4.189 20 30 DIEDRO CCc1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)ccc1OC ZINC001245790754 1058473696 /nfs/dbraw/zinc/47/36/96/1058473696.db2.gz BRVCTVLONKWAAR-UHFFFAOYSA-N 1 0 320.436 4.069 20 30 DIEDRO CCCCCCCC[C@H](O)CNc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001245964468 1058648798 /nfs/dbraw/zinc/64/87/98/1058648798.db2.gz ATDHFZFUPFFHFF-QUCCMNQESA-N 1 0 318.505 4.287 20 30 DIEDRO CCCCCCCCCC[C@@H](O)CNc1ccc(C[NH3+])cc1 ZINC001245963859 1058648898 /nfs/dbraw/zinc/64/88/98/1058648898.db2.gz YYHZHOAEPZEQIT-LJQANCHMSA-N 1 0 306.494 4.449 20 30 DIEDRO C=CCCCCCC[C@H](O)CNc1ccc(C(C)(C)C[NH3+])cc1 ZINC001245960346 1058649579 /nfs/dbraw/zinc/64/95/79/1058649579.db2.gz OQMMSTIPUGERRR-IBGZPJMESA-N 1 0 318.505 4.222 20 30 DIEDRO C=CCCCCCC[C@@H](O)CNc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001245965220 1058652908 /nfs/dbraw/zinc/65/29/08/1058652908.db2.gz DYKHSTGTDLEGDI-AZUAARDMSA-N 1 0 316.489 4.063 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cccc(N)c1 ZINC001245981859 1058652922 /nfs/dbraw/zinc/65/29/22/1058652922.db2.gz RCGLDPVHIPZXSX-IBGZPJMESA-N 1 0 306.494 4.250 20 30 DIEDRO C=CCCCCCC[C@H](O)CNc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001245965226 1058653204 /nfs/dbraw/zinc/65/32/04/1058653204.db2.gz DYKHSTGTDLEGDI-QUCCMNQESA-N 1 0 316.489 4.063 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCNc2ccccc21 ZINC001246002295 1058657183 /nfs/dbraw/zinc/65/71/83/1058657183.db2.gz NZDGKROFHIXYBI-LPHOPBHVSA-N 1 0 304.478 4.244 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246134930 1058693477 /nfs/dbraw/zinc/69/34/77/1058693477.db2.gz PYRONJNJZRHSMH-XUBOLADHSA-N 1 0 324.553 4.405 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246134489 1058693903 /nfs/dbraw/zinc/69/39/03/1058693903.db2.gz NLILJGGREDXIRK-UMQXSMKFSA-N 1 0 324.553 4.405 20 30 DIEDRO CCCCCCC[NH2+][C@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246235506 1058756470 /nfs/dbraw/zinc/75/64/70/1058756470.db2.gz ZMYQUVLQYSLLNX-PKOBYXMFSA-N 1 0 306.469 4.487 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246317952 1058831914 /nfs/dbraw/zinc/83/19/14/1058831914.db2.gz PFDRYNMREBVKAL-RCCFBDPRSA-N 1 0 316.489 4.213 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC001558713131 1058903203 /nfs/dbraw/zinc/90/32/03/1058903203.db2.gz CCVBPMAJCWWJDI-FQEVSTJZSA-N 1 0 320.436 4.323 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1 ZINC001559062445 1058959570 /nfs/dbraw/zinc/95/95/70/1058959570.db2.gz XWBUIFYUTQDQPL-IBGZPJMESA-N 1 0 317.452 4.318 20 30 DIEDRO CC(C)[C@H](CNc1cccc(F)c1C#N)[NH+]1CCCCCC1 ZINC001559062495 1058959629 /nfs/dbraw/zinc/95/96/29/1058959629.db2.gz ZRPBZYJSTHNQGC-SFHVURJKSA-N 1 0 303.425 4.010 20 30 DIEDRO C=C[C@@H](N[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246485920 1058963548 /nfs/dbraw/zinc/96/35/48/1058963548.db2.gz BSUZRYPUCNPNIJ-NRSPTQNISA-N 1 0 324.443 4.444 20 30 DIEDRO CC[NH+](CC)Cc1cccc(CNc2cc(F)ccc2C#N)c1 ZINC001559073389 1058966087 /nfs/dbraw/zinc/96/60/87/1058966087.db2.gz VZVTWMKNSNZRKK-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)c1ccccc1 ZINC001246488102 1058967093 /nfs/dbraw/zinc/96/70/93/1058967093.db2.gz HPHWBDCIZFBFFJ-NJYVYQBISA-N 1 0 306.453 4.387 20 30 DIEDRO CCCCCCCCCCC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC001530893366 1059178369 /nfs/dbraw/zinc/17/83/69/1059178369.db2.gz XRUNSTYHUDQKMT-KURKYZTESA-N 1 0 310.526 4.457 20 30 DIEDRO C=CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC001559493018 1059269576 /nfs/dbraw/zinc/26/95/76/1059269576.db2.gz MOLLOIYKKQHUSO-FXAWDEMLSA-N 1 0 317.473 4.279 20 30 DIEDRO C=CC[N@@H+](CCO[C@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC001559493020 1059269962 /nfs/dbraw/zinc/26/99/62/1059269962.db2.gz MOLLOIYKKQHUSO-XLIONFOSSA-N 1 0 317.473 4.279 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1OC)CC1CCCCC1 ZINC001559496325 1059274607 /nfs/dbraw/zinc/27/46/07/1059274607.db2.gz KGFNHRYMXXHALK-UHFFFAOYSA-N 1 0 300.446 4.359 20 30 DIEDRO C#CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCc2ccccc21 ZINC001559499594 1059283666 /nfs/dbraw/zinc/28/36/66/1059283666.db2.gz YICBTXGCEBGCJJ-VGOFRKELSA-N 1 0 319.448 4.421 20 30 DIEDRO C=CCCCC[N@@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC001559500416 1059284902 /nfs/dbraw/zinc/28/49/02/1059284902.db2.gz ZKQHCTGRFRQYPN-LJQANCHMSA-N 1 0 303.446 4.033 20 30 DIEDRO CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001559507812 1059295730 /nfs/dbraw/zinc/29/57/30/1059295730.db2.gz YGSOVRMPFKZCIZ-FQEVSTJZSA-N 1 0 313.489 4.032 20 30 DIEDRO Cc1ccccc1[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001559512339 1059307548 /nfs/dbraw/zinc/30/75/48/1059307548.db2.gz PRBHXUOBCLFLOI-LJQANCHMSA-N 1 0 320.436 4.125 20 30 DIEDRO CC#CC[N@H+](Cc1ccccc1)[C@H](C)Cc1ccccc1OC ZINC001559516921 1059309765 /nfs/dbraw/zinc/30/97/65/1059309765.db2.gz GFJFCONYEXREMR-GOSISDBHSA-N 1 0 307.437 4.152 20 30 DIEDRO C#CC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CCCCC1 ZINC001559514320 1059312498 /nfs/dbraw/zinc/31/24/98/1059312498.db2.gz YZQWRRVJTBGDTR-UHFFFAOYSA-N 1 0 311.347 4.179 20 30 DIEDRO CCC#C[C@H](C)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001559556160 1059370876 /nfs/dbraw/zinc/37/08/76/1059370876.db2.gz UCEMLYXGIQKXKR-AWEZNQCLSA-N 1 0 320.274 4.214 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC001531541243 1059350021 /nfs/dbraw/zinc/35/00/21/1059350021.db2.gz XVQVERBSQMZVPY-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC001531541244 1059351057 /nfs/dbraw/zinc/35/10/57/1059351057.db2.gz XVQVERBSQMZVPY-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCCCCC[NH+]1CCN(Cc2ccc(CC)s2)CC1 ZINC001559552520 1059362531 /nfs/dbraw/zinc/36/25/31/1059362531.db2.gz DXPSCZMQVFNBFZ-UHFFFAOYSA-N 1 0 306.519 4.175 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001531655711 1059384850 /nfs/dbraw/zinc/38/48/50/1059384850.db2.gz GODICBGQTZEWED-XLIONFOSSA-N 1 0 322.537 4.364 20 30 DIEDRO C[C@H]([N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1)C1(C)CC1 ZINC001559588494 1059422609 /nfs/dbraw/zinc/42/26/09/1059422609.db2.gz BYHFNSOLSRIJAQ-ZDUSSCGKSA-N 1 0 311.347 4.057 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)CCCCC2(C#N)CCC2)C12CCC2 ZINC001559597196 1059432450 /nfs/dbraw/zinc/43/24/50/1059432450.db2.gz CNWICDQUTYWXCP-IRXDYDNUSA-N 1 0 304.478 4.130 20 30 DIEDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC001559658181 1059485180 /nfs/dbraw/zinc/48/51/80/1059485180.db2.gz CGHMOYVAINMQGV-CABCVRRESA-N 1 0 308.400 4.400 20 30 DIEDRO C#CCCCCCC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001559654922 1059485560 /nfs/dbraw/zinc/48/55/60/1059485560.db2.gz PTEFWWDPLHQEBR-PMACEKPBSA-N 1 0 312.501 4.165 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)C1 ZINC001559674999 1059500715 /nfs/dbraw/zinc/50/07/15/1059500715.db2.gz YLROZVXCFBTBNY-LJQANCHMSA-N 1 0 317.473 4.030 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001559691043 1059521151 /nfs/dbraw/zinc/52/11/51/1059521151.db2.gz ZVYOVYAGXROGRC-CQSZACIVSA-N 1 0 312.388 4.174 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)c1 ZINC001559698947 1059527469 /nfs/dbraw/zinc/52/74/69/1059527469.db2.gz LBWPIJCMPCMYKM-KLAILNCOSA-N 1 0 300.446 4.454 20 30 DIEDRO C#CC[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccccc1 ZINC001559702673 1059529931 /nfs/dbraw/zinc/52/99/31/1059529931.db2.gz YIRFKVPYWWGVLZ-QHAWAJNXSA-N 1 0 305.421 4.261 20 30 DIEDRO CCC[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1 ZINC001559707544 1059535091 /nfs/dbraw/zinc/53/50/91/1059535091.db2.gz WLZZZCUJMKKRPG-HXUWFJFHSA-N 1 0 308.425 4.458 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC001559713163 1059537916 /nfs/dbraw/zinc/53/79/16/1059537916.db2.gz INZQQABRVVEMKF-UHFFFAOYSA-N 1 0 308.510 4.070 20 30 DIEDRO CC(C)[C@H](O)CC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001559741550 1059574461 /nfs/dbraw/zinc/57/44/61/1059574461.db2.gz PJTMHUVYIQMLQF-IIBYNOLFSA-N 1 0 322.452 4.283 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001532310995 1059584615 /nfs/dbraw/zinc/58/46/15/1059584615.db2.gz GTVYGLOEHCYLQW-SJORKVTESA-N 1 0 310.526 4.362 20 30 DIEDRO C=CCC[N@H+](C)CCCCOc1ccc(Br)cc1 ZINC001559757281 1059590635 /nfs/dbraw/zinc/59/06/35/1059590635.db2.gz XYYQQZNBICXSCN-UHFFFAOYSA-N 1 0 312.251 4.116 20 30 DIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001559762395 1059596836 /nfs/dbraw/zinc/59/68/36/1059596836.db2.gz LZCCJUBLZHINIF-IRXDYDNUSA-N 1 0 307.890 4.345 20 30 DIEDRO C=C(C)[C@@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001559767119 1059602817 /nfs/dbraw/zinc/60/28/17/1059602817.db2.gz STEQCBZDVBWBOS-ZRGWGRIASA-N 1 0 322.443 4.150 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)cc1C#N ZINC001559769156 1059604512 /nfs/dbraw/zinc/60/45/12/1059604512.db2.gz TXCQNIODTIMEIU-ZDUSSCGKSA-N 1 0 307.422 4.327 20 30 DIEDRO C=CC[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001559769952 1059607798 /nfs/dbraw/zinc/60/77/98/1059607798.db2.gz WBMRZZNRQFKJHN-UHFFFAOYSA-N 1 0 303.352 4.162 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1(CC)CC ZINC001559774594 1059611792 /nfs/dbraw/zinc/61/17/92/1059611792.db2.gz CUIRYBINDWBKIW-BMGDILEWSA-N 1 0 300.446 4.193 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1(CC)CC ZINC001559774798 1059613273 /nfs/dbraw/zinc/61/32/73/1059613273.db2.gz FTKCVHUZCDPTQP-QZTJIDSGSA-N 1 0 319.876 4.265 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC001559778744 1059616209 /nfs/dbraw/zinc/61/62/09/1059616209.db2.gz YMAXXTVCTSQEPQ-CYBMUJFWSA-N 1 0 318.617 4.381 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2cnc(OC)c(Cl)c2)CCCC1(C)C ZINC001559797626 1059631556 /nfs/dbraw/zinc/63/15/56/1059631556.db2.gz VCRGNDPQTPKGRJ-OAHLLOKOSA-N 1 0 308.853 4.310 20 30 DIEDRO C=CC[C@H]1[N@@H+](CCC(=O)Nc2cccc(F)c2)CCCC1(C)C ZINC001559796989 1059632963 /nfs/dbraw/zinc/63/29/63/1059632963.db2.gz CRSYRMDEURMCHL-QGZVFWFLSA-N 1 0 318.436 4.221 20 30 DIEDRO C=CC[C@H]1[N@H+](CCN(C)Cc2ccccc2)CCCC1(C)C ZINC001559797364 1059633193 /nfs/dbraw/zinc/63/31/93/1059633193.db2.gz OFQVEXICCMTDQP-LJQANCHMSA-N 1 0 300.490 4.185 20 30 DIEDRO CCCN(CC[NH+]1CCCCC1)CCC1(C#N)CCCCC1 ZINC001559827422 1059662569 /nfs/dbraw/zinc/66/25/69/1059662569.db2.gz MOTUUESYZQIIEU-UHFFFAOYSA-N 1 0 305.510 4.048 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001559830985 1059665273 /nfs/dbraw/zinc/66/52/73/1059665273.db2.gz TXACMOYKUPKITC-WBMJQRKESA-N 1 0 311.347 4.428 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001559858144 1059679751 /nfs/dbraw/zinc/67/97/51/1059679751.db2.gz KPMDHFCGDCMHJL-GOSISDBHSA-N 1 0 305.849 4.297 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1cccc(C2CC2)c1 ZINC001559865325 1059686008 /nfs/dbraw/zinc/68/60/08/1059686008.db2.gz LRRSIDOMCVBDSL-OAHLLOKOSA-N 1 0 306.409 4.165 20 30 DIEDRO C=CCOCC[N@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC001559869757 1059689154 /nfs/dbraw/zinc/68/91/54/1059689154.db2.gz DCWZKCIATSUAHV-KRWDZBQOSA-N 1 0 307.865 4.330 20 30 DIEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559879678 1059699299 /nfs/dbraw/zinc/69/92/99/1059699299.db2.gz OTARGGYTCHLLAH-CZUORRHYSA-N 1 0 315.417 4.113 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC001559879780 1059700191 /nfs/dbraw/zinc/70/01/91/1059700191.db2.gz QOPWOMYVFPOKCY-WMLDXEAASA-N 1 0 300.446 4.213 20 30 DIEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001559893121 1059710553 /nfs/dbraw/zinc/71/05/53/1059710553.db2.gz JQBPYHCGJFOSAB-PXAZEXFGSA-N 1 0 308.372 4.218 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@@H]3CCCC4(CCC4)O3)CCC2)cc1 ZINC001559947517 1059762515 /nfs/dbraw/zinc/76/25/15/1059762515.db2.gz UYBSINVGQYODGP-SFHVURJKSA-N 1 0 310.441 4.019 20 30 DIEDRO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1CCCSCC#N ZINC001559964356 1059773782 /nfs/dbraw/zinc/77/37/82/1059773782.db2.gz SGXUUWVTRBSWCB-KRWDZBQOSA-N 1 0 322.905 4.384 20 30 DIEDRO CCCCCCCc1ccc(-c2noc([C@H]3C[C@@H]([NH3+])C3)n2)cc1 ZINC001248311165 1059779779 /nfs/dbraw/zinc/77/97/79/1059779779.db2.gz ZSVCSKAUTIGAFI-CALCHBBNSA-N 1 0 313.445 4.454 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(C3CCCCC3)CC2)cc1F ZINC001559973128 1059781500 /nfs/dbraw/zinc/78/15/00/1059781500.db2.gz FHUDIUYOSKYLFB-UHFFFAOYSA-N 1 0 300.421 4.490 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccccc1F ZINC001559980343 1059784936 /nfs/dbraw/zinc/78/49/36/1059784936.db2.gz KYRJOLQNEAQNSL-LJQANCHMSA-N 1 0 312.388 4.063 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC001559988319 1059793704 /nfs/dbraw/zinc/79/37/04/1059793704.db2.gz DURYMDQTIVMSKJ-UHFFFAOYSA-N 1 0 318.505 4.202 20 30 DIEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC001559997169 1059801751 /nfs/dbraw/zinc/80/17/51/1059801751.db2.gz PHXXAONWDPLOSP-CQSZACIVSA-N 1 0 310.235 4.171 20 30 DIEDRO COc1cccc([C@]2(C)CC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC001560000986 1059805213 /nfs/dbraw/zinc/80/52/13/1059805213.db2.gz SAYUMJHWUJCUGS-IIBYNOLFSA-N 1 0 320.436 4.291 20 30 DIEDRO C=CCC1([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CCCC1 ZINC001560002599 1059808305 /nfs/dbraw/zinc/80/83/05/1059808305.db2.gz TVHVVSDNXRYZFF-FQEVSTJZSA-N 1 0 309.453 4.222 20 30 DIEDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001560003948 1059811373 /nfs/dbraw/zinc/81/13/73/1059811373.db2.gz MYVUXJJNFSMSGX-CHWSQXEVSA-N 1 0 321.262 4.331 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001560026797 1059842182 /nfs/dbraw/zinc/84/21/82/1059842182.db2.gz HANZKEABRVGGBA-QGZVFWFLSA-N 1 0 308.425 4.059 20 30 DIEDRO CCCCCCCC[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC001560045206 1059862032 /nfs/dbraw/zinc/86/20/32/1059862032.db2.gz AYWNEMBKEKRYJL-SFHVURJKSA-N 1 0 303.446 4.119 20 30 DIEDRO CCCCCCCC[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001560045205 1059864813 /nfs/dbraw/zinc/86/48/13/1059864813.db2.gz AYWNEMBKEKRYJL-GOSISDBHSA-N 1 0 303.446 4.119 20 30 DIEDRO C[N@H+](CCCOc1cccc(C(C)(C)C)c1)[C@@H]1CCC[C@H]1C#N ZINC001560060580 1059873686 /nfs/dbraw/zinc/87/36/86/1059873686.db2.gz QMECYVOYXBIOSP-QFBILLFUSA-N 1 0 314.473 4.377 20 30 DIEDRO C[N@H+](Cc1ccccc1OCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC001560064009 1059876254 /nfs/dbraw/zinc/87/62/54/1059876254.db2.gz RCSPJDQGQOVWJS-AZUAARDMSA-N 1 0 320.436 4.390 20 30 DIEDRO C=CCC1([NH2+]CCOc2ccccc2OCC)CCCCC1 ZINC001560070703 1059883350 /nfs/dbraw/zinc/88/33/50/1059883350.db2.gz JVODSOXDSMIFBQ-UHFFFAOYSA-N 1 0 303.446 4.333 20 30 DIEDRO C=CCC1([NH2+]CCCN(C)C(=O)OC(C)(C)C)CCCCC1 ZINC001560070985 1059884882 /nfs/dbraw/zinc/88/48/82/1059884882.db2.gz VHABDLJNEAODPD-UHFFFAOYSA-N 1 0 310.482 4.112 20 30 DIEDRO Cc1cccc(C)c1OCCC[N@@H+](C)CCc1cccc(C#N)c1 ZINC001560084366 1059897261 /nfs/dbraw/zinc/89/72/61/1059897261.db2.gz OOJGQTFZTRCPNU-UHFFFAOYSA-N 1 0 322.452 4.119 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1cc2cnccc2o1 ZINC001560093611 1059904276 /nfs/dbraw/zinc/90/42/76/1059904276.db2.gz FEOGPNGYAIIWDH-CYBMUJFWSA-N 1 0 310.784 4.184 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001560109265 1059915646 /nfs/dbraw/zinc/91/56/46/1059915646.db2.gz XKHYCRNKUSCJOT-IBGZPJMESA-N 1 0 309.457 4.335 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cc(Cl)cc(Cl)c1F ZINC001560128391 1059929230 /nfs/dbraw/zinc/92/92/30/1059929230.db2.gz JOYAQCLWGVNRPN-QXEWZRGKSA-N 1 0 301.192 4.475 20 30 DIEDRO C#CC[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C(C)C ZINC001560164546 1059957462 /nfs/dbraw/zinc/95/74/62/1059957462.db2.gz AVQAECMSVMFTLJ-UHFFFAOYSA-N 1 0 320.436 4.026 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001248751893 1059963351 /nfs/dbraw/zinc/96/33/51/1059963351.db2.gz OIZRCKRDAINTGA-IBGZPJMESA-N 1 0 308.400 4.249 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC001248748510 1059964114 /nfs/dbraw/zinc/96/41/14/1059964114.db2.gz LYJKPDPYKHEOJE-LJQANCHMSA-N 1 0 320.436 4.119 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001248752168 1059966269 /nfs/dbraw/zinc/96/62/69/1059966269.db2.gz AIPULCVSHLSBRM-UHFFFAOYSA-N 1 0 300.421 4.225 20 30 DIEDRO C#CC[N@@H+](C[C@@H](OC)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001560171664 1059966589 /nfs/dbraw/zinc/96/65/89/1059966589.db2.gz BGRNFKSAXKZSCM-FCHUYYIVSA-N 1 0 319.448 4.387 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)Cc1ccccc1OC ZINC001248752645 1059969222 /nfs/dbraw/zinc/96/92/22/1059969222.db2.gz UXONAASMAWNMLZ-INIZCTEOSA-N 1 0 322.452 4.192 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3OC)c2)C1 ZINC001248759990 1059969259 /nfs/dbraw/zinc/96/92/59/1059969259.db2.gz ZDUQETYVCPRSIJ-KRWDZBQOSA-N 1 0 321.420 4.333 20 30 DIEDRO CC(C)c1ccccc1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001560183074 1059969977 /nfs/dbraw/zinc/96/99/77/1059969977.db2.gz KMSIFAWQRVWZPP-NRFANRHFSA-N 1 0 320.436 4.255 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001248752643 1059970199 /nfs/dbraw/zinc/97/01/99/1059970199.db2.gz UVKSRFSANFUUKF-HXUWFJFHSA-N 1 0 320.436 4.119 20 30 DIEDRO C[N@H+](CCCc1ccc(Cl)cc1)Cc1cc(C#N)cs1 ZINC001560181902 1059972183 /nfs/dbraw/zinc/97/21/83/1059972183.db2.gz ZJGJVAVWXLVLBY-UHFFFAOYSA-N 1 0 304.846 4.338 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cs1 ZINC001248803709 1059984945 /nfs/dbraw/zinc/98/49/45/1059984945.db2.gz NZXMZJSTSJFRKJ-UHFFFAOYSA-N 1 0 310.466 4.383 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001560226238 1059998507 /nfs/dbraw/zinc/99/85/07/1059998507.db2.gz NNCKRIUXTUSPKX-LJQANCHMSA-N 1 0 322.493 4.208 20 30 DIEDRO Cc1cc(C)c2c(c1)CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC001560241352 1060006795 /nfs/dbraw/zinc/00/67/95/1060006795.db2.gz IJHXMYZIVHFDEE-UHFFFAOYSA-N 1 0 309.840 4.367 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001248847315 1060015543 /nfs/dbraw/zinc/01/55/43/1060015543.db2.gz IEISWYOKRSCFGH-UHFFFAOYSA-N 1 0 311.351 4.370 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cnc2cc(Br)ccc2c1 ZINC001248867150 1060026962 /nfs/dbraw/zinc/02/69/62/1060026962.db2.gz DRVVEMSIUPOOHC-UHFFFAOYSA-N 1 0 317.230 4.171 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC001560261271 1060030357 /nfs/dbraw/zinc/03/03/57/1060030357.db2.gz YWJUFDQLQHQPNE-RDJZCZTQSA-N 1 0 303.446 4.317 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)cc1 ZINC001560272089 1060046817 /nfs/dbraw/zinc/04/68/17/1060046817.db2.gz SBOBDOJVNPYSMW-UHFFFAOYSA-N 1 0 322.427 4.448 20 30 DIEDRO CCCCCCC[C@H](C)C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC001560284314 1060060049 /nfs/dbraw/zinc/06/00/49/1060060049.db2.gz NSGIMZJWCQBGBY-HNNXBMFYSA-N 1 0 318.461 4.218 20 30 DIEDRO C[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1ccc(C#N)cc1 ZINC001560296558 1060081941 /nfs/dbraw/zinc/08/19/41/1060081941.db2.gz WQFOVFCIQMMEPL-NSHDSACASA-N 1 0 311.772 4.204 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)C1 ZINC001560332600 1060118733 /nfs/dbraw/zinc/11/87/33/1060118733.db2.gz QPDIISPIYSXINA-MSOLQXFVSA-N 1 0 322.562 4.073 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C/C=C\c1cc(C)c(C)cc1C ZINC001560338281 1060123236 /nfs/dbraw/zinc/12/32/36/1060123236.db2.gz RHKZYSDKPAYEDZ-NTMALXAHSA-N 1 0 319.448 4.427 20 30 DIEDRO C=C(Cl)C[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC001560348436 1060135806 /nfs/dbraw/zinc/13/58/06/1060135806.db2.gz AACXBCIDRMKEAQ-UHFFFAOYSA-N 1 0 301.817 4.416 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2SCC)cc1 ZINC001560369914 1060156068 /nfs/dbraw/zinc/15/60/68/1060156068.db2.gz NTAZCTSDCSXWQK-OALUTQOASA-N 1 0 317.498 4.243 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2(Cc3ccccc3)CCC2)cc1 ZINC001560370679 1060157619 /nfs/dbraw/zinc/15/76/19/1060157619.db2.gz SSFNKQYNBWKFLV-UHFFFAOYSA-N 1 0 319.448 4.344 20 30 DIEDRO CC(C)CC1(C[NH2+]Cc2cc(C#N)ccc2N(C)C)CCCC1 ZINC001560374703 1060161339 /nfs/dbraw/zinc/16/13/39/1060161339.db2.gz OQRSFCLBHITHFN-UHFFFAOYSA-N 1 0 313.489 4.320 20 30 DIEDRO CC1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)Cc2ccccc2C1 ZINC001560397876 1060183331 /nfs/dbraw/zinc/18/33/31/1060183331.db2.gz QKGAKZOIPREVEI-UHFFFAOYSA-N 1 0 316.448 4.136 20 30 DIEDRO CC(C)[C@H](c1nc(-c2ccc(C#N)c3ccccc23)no1)[NH+](C)C ZINC001249200718 1060189239 /nfs/dbraw/zinc/18/92/39/1060189239.db2.gz OBSIBAFNCJMBST-QGZVFWFLSA-N 1 0 320.396 4.020 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1c(Br)c2ccccc2n1C ZINC001560455082 1060244183 /nfs/dbraw/zinc/24/41/83/1060244183.db2.gz XTXGQKBDLILFEL-GFCCVEGCSA-N 1 0 321.262 4.385 20 30 DIEDRO N#Cc1ccc2cc(C[N@H+]3CC=C(c4ccccc4)CC3)[nH]c2c1 ZINC001249429864 1060245930 /nfs/dbraw/zinc/24/59/30/1060245930.db2.gz UARGLDGNWPNPNY-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CC[C@H](c4ccccc4)C3)[nH]c2c1 ZINC001249426523 1060247213 /nfs/dbraw/zinc/24/72/13/1060247213.db2.gz VUHJIEPTVLCCFB-SFHVURJKSA-N 1 0 301.393 4.029 20 30 DIEDRO N#Cc1ccc2cc(C[N@H+]3CC[C@H](c4cccc(F)c4)C3)[nH]c2c1 ZINC001249429778 1060247659 /nfs/dbraw/zinc/24/76/59/1060247659.db2.gz PFDLTDJXXNDVLS-KRWDZBQOSA-N 1 0 319.383 4.168 20 30 DIEDRO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccc(Cl)cc1 ZINC001249428873 1060247713 /nfs/dbraw/zinc/24/77/13/1060247713.db2.gz FIWDOVOJAYHHIJ-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO N#Cc1ccc2cc(C[N@H+]3CC[C@@H](c4cccc(F)c4)C3)[nH]c2c1 ZINC001249429779 1060248136 /nfs/dbraw/zinc/24/81/36/1060248136.db2.gz PFDLTDJXXNDVLS-QGZVFWFLSA-N 1 0 319.383 4.168 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429860 1060248663 /nfs/dbraw/zinc/24/86/63/1060248663.db2.gz STVOWMZNBDUDTO-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO N#Cc1ccc2cc(C[NH+]3CCC4(CC[C@H](F)C4)CC3)[nH]c2c1 ZINC001249429568 1060249864 /nfs/dbraw/zinc/24/98/64/1060249864.db2.gz HKZWJUVWVYHTLZ-INIZCTEOSA-N 1 0 311.404 4.144 20 30 DIEDRO Cc1ccc(C[N@H+](C)Cc2cc3ccc(C#N)cc3[nH]2)cc1C ZINC001249430569 1060249894 /nfs/dbraw/zinc/24/98/94/1060249894.db2.gz YCAADOJZVGPGQU-UHFFFAOYSA-N 1 0 303.409 4.288 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC001560469251 1060256884 /nfs/dbraw/zinc/25/68/84/1060256884.db2.gz BQFINDLQCKIXJZ-JKSUJKDBSA-N 1 0 302.437 4.260 20 30 DIEDRO C=CCC1(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)CCCC1 ZINC001560471859 1060260615 /nfs/dbraw/zinc/26/06/15/1060260615.db2.gz ZIQGDQIGIIJGNE-CQSZACIVSA-N 1 0 304.503 4.494 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001249503824 1060266907 /nfs/dbraw/zinc/26/69/07/1060266907.db2.gz JGBUWSBQMRKQFZ-INIZCTEOSA-N 1 0 307.393 4.030 20 30 DIEDRO CCC1([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC001560480679 1060271065 /nfs/dbraw/zinc/27/10/65/1060271065.db2.gz IWTUKXGRBLULBB-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)c(F)c1 ZINC001560485088 1060276783 /nfs/dbraw/zinc/27/67/83/1060276783.db2.gz IVDJKJYCFHBLAT-MJGOQNOKSA-N 1 0 308.400 4.371 20 30 DIEDRO C#CC[N@@H+](Cc1cc(F)cc2cc[nH]c21)[C@@H]1CCc2ccccc21 ZINC001249525111 1060277418 /nfs/dbraw/zinc/27/74/18/1060277418.db2.gz YXXVQQYAYXRYHA-HXUWFJFHSA-N 1 0 318.395 4.430 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc3cc(OC)ccc3c2)c1 ZINC001560503736 1060298363 /nfs/dbraw/zinc/29/83/63/1060298363.db2.gz VGSNDNHKVKNXFL-UHFFFAOYSA-N 1 0 301.389 4.120 20 30 DIEDRO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001560503695 1060299773 /nfs/dbraw/zinc/29/97/73/1060299773.db2.gz AIRYJZHOBWBCIE-XLIONFOSSA-N 1 0 319.452 4.332 20 30 DIEDRO CC(C)([NH2+]C/C=C/c1ccc(F)cc1F)c1cccc(C#N)c1 ZINC001560530117 1060331548 /nfs/dbraw/zinc/33/15/48/1060331548.db2.gz BLOMYISHBWINNT-GQCTYLIASA-N 1 0 312.363 4.375 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001560531069 1060332273 /nfs/dbraw/zinc/33/22/73/1060332273.db2.gz TWMJGWWHIKBYHQ-ZWKOTPCHSA-N 1 0 315.457 4.463 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2c(Cl)n(C)nc2CC)CCCC1 ZINC001560531553 1060333988 /nfs/dbraw/zinc/33/39/88/1060333988.db2.gz FVRUPIAKKXUJHT-UHFFFAOYSA-N 1 0 309.885 4.252 20 30 DIEDRO CCc1oc2ccccc2c1C[NH2+]CCc1ccc(C#N)cc1 ZINC001560532019 1060335828 /nfs/dbraw/zinc/33/58/28/1060335828.db2.gz SBSFDEAFBCZMBS-UHFFFAOYSA-N 1 0 304.393 4.199 20 30 DIEDRO C=CCC1([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CCCC1 ZINC001560533321 1060338483 /nfs/dbraw/zinc/33/84/83/1060338483.db2.gz NCYDQDGKTOOQJU-UHFFFAOYSA-N 1 0 309.457 4.468 20 30 DIEDRO N#Cc1ccc(CNc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC001560568178 1060378773 /nfs/dbraw/zinc/37/87/73/1060378773.db2.gz FMPWIGQJNYZROX-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001560579085 1060395879 /nfs/dbraw/zinc/39/58/79/1060395879.db2.gz WMNBODDBKJVYIH-PKOBYXMFSA-N 1 0 300.490 4.089 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cccc(C)c2F)cc1C#N ZINC001560589523 1060402666 /nfs/dbraw/zinc/40/26/66/1060402666.db2.gz SHJRZGGPKPTJBX-UHFFFAOYSA-N 1 0 300.402 4.018 20 30 DIEDRO CCCCCCCc1ccc(NC(=S)NCC[NH+](C)C)cc1 ZINC001249840807 1060416269 /nfs/dbraw/zinc/41/62/69/1060416269.db2.gz HKZXZGSEZCLDKN-UHFFFAOYSA-N 1 0 321.534 4.048 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)ccc1C#N ZINC001560631888 1060443730 /nfs/dbraw/zinc/44/37/30/1060443730.db2.gz LGBWUSYPAWAXDE-JXFKEZNVSA-N 1 0 320.436 4.192 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)n1)C1c2ccccc2-c2ccccc21 ZINC001560637990 1060452784 /nfs/dbraw/zinc/45/27/84/1060452784.db2.gz WBDLBWXWTOINGK-UHFFFAOYSA-N 1 0 311.388 4.155 20 30 DIEDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cccc(C#N)n2)o1 ZINC001560656872 1060480652 /nfs/dbraw/zinc/48/06/52/1060480652.db2.gz SVHRNTIQFYUSBR-SFHVURJKSA-N 1 0 309.413 4.226 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc(N(C)C)cc1C ZINC001560657297 1060481501 /nfs/dbraw/zinc/48/15/01/1060481501.db2.gz IPVBULFETTWAKW-UHFFFAOYSA-N 1 0 301.478 4.213 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Oc2cccc(F)c2)cc1)CC1CC1 ZINC001560671525 1060500489 /nfs/dbraw/zinc/50/04/89/1060500489.db2.gz HKUCSJXWVSUGSE-UHFFFAOYSA-N 1 0 309.384 4.463 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC001560676063 1060510090 /nfs/dbraw/zinc/51/00/90/1060510090.db2.gz ZXTYUUMTCSRILF-UPHRSURJSA-N 1 0 318.395 4.500 20 30 DIEDRO CCC(CC)[N@@H+](Cc1cc(C#N)ccc1N(C)C)CC(C)C ZINC001560675617 1060512829 /nfs/dbraw/zinc/51/28/29/1060512829.db2.gz LJGKJWCSTUEGSP-UHFFFAOYSA-N 1 0 301.478 4.271 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC001560685499 1060531785 /nfs/dbraw/zinc/53/17/85/1060531785.db2.gz SAEUFKVWSBWMDF-IBGZPJMESA-N 1 0 303.446 4.033 20 30 DIEDRO C=CC[N@@H+](Cc1cc(C)c(Br)cc1O)C(C)(C)C ZINC001250133254 1060634778 /nfs/dbraw/zinc/63/47/78/1060634778.db2.gz KCTKVNRQNSXAFS-UHFFFAOYSA-N 1 0 312.251 4.250 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1nc2cc(OC)ccc2n1C ZINC001560774591 1060637218 /nfs/dbraw/zinc/63/72/18/1060637218.db2.gz NAGDZLBSYXBWAA-OAHLLOKOSA-N 1 0 315.461 4.197 20 30 DIEDRO C=CC[N@@H+](C)Cc1cc(C)cc(Br)c1OC(C)C ZINC001250162130 1060655035 /nfs/dbraw/zinc/65/50/35/1060655035.db2.gz BRUDHWPUPMAFJL-UHFFFAOYSA-N 1 0 312.251 4.163 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC001560804198 1060664124 /nfs/dbraw/zinc/66/41/24/1060664124.db2.gz VIWFEZWEPJJYFP-CQSZACIVSA-N 1 0 305.849 4.363 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)ccc1C#N ZINC001560812859 1060671487 /nfs/dbraw/zinc/67/14/87/1060671487.db2.gz GPQDDNKWFTYEJG-TZIWHRDSSA-N 1 0 320.436 4.167 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)CCCC1 ZINC001560831573 1060688340 /nfs/dbraw/zinc/68/83/40/1060688340.db2.gz QEBSFXLDLLCUGA-INIZCTEOSA-N 1 0 315.457 4.463 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@H](c1ccc(SC)cc1)N(C)C ZINC001560850101 1060707988 /nfs/dbraw/zinc/70/79/88/1060707988.db2.gz HLLGRRRZWWHDBL-FUHWJXTLSA-N 1 0 306.519 4.346 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CCC1CC1)c1ccc(Br)cc1 ZINC001560854242 1060712458 /nfs/dbraw/zinc/71/24/58/1060712458.db2.gz DQZQGCTYLCTMIC-MLGOLLRUSA-N 1 0 306.247 4.292 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001560883366 1060745748 /nfs/dbraw/zinc/74/57/48/1060745748.db2.gz SBXUNZNDTSVAFV-RBUKOAKNSA-N 1 0 307.437 4.330 20 30 DIEDRO C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]Cc1ccc(C#N)s1 ZINC001560893055 1060757036 /nfs/dbraw/zinc/75/70/36/1060757036.db2.gz FKBMXCZZGCDYLE-CQSZACIVSA-N 1 0 310.466 4.219 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(C)c(Br)c2C)C1 ZINC001560901203 1060764623 /nfs/dbraw/zinc/76/46/23/1060764623.db2.gz NPIISTVPMJUIPJ-OAHLLOKOSA-N 1 0 320.274 4.301 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC001560906152 1060768285 /nfs/dbraw/zinc/76/82/85/1060768285.db2.gz CSSPXIFDAZKXNZ-GFCCVEGCSA-N 1 0 318.214 4.041 20 30 DIEDRO C=CCCC1(C[NH2+]C[C@H]2C[C@@]2(C)Br)CCCC1 ZINC001560928770 1060792290 /nfs/dbraw/zinc/79/22/90/1060792290.db2.gz BPTGZJMPKOTKOA-ZIAGYGMSSA-N 1 0 300.284 4.276 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccc2oc3ccccc3c2c1)C1CCOCC1 ZINC001560940326 1060804191 /nfs/dbraw/zinc/80/41/91/1060804191.db2.gz JFZZWEVCSIEKOU-LJQANCHMSA-N 1 0 319.404 4.104 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001560955229 1060819129 /nfs/dbraw/zinc/81/91/29/1060819129.db2.gz NZXAAYQHLPKNDE-BHIYHBOVSA-N 1 0 319.876 4.384 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001560955230 1060822330 /nfs/dbraw/zinc/82/23/30/1060822330.db2.gz NZXAAYQHLPKNDE-QRQLOZEOSA-N 1 0 319.876 4.384 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CC)c2cccc(OC)c2OC)C1 ZINC001560975672 1060840058 /nfs/dbraw/zinc/84/00/58/1060840058.db2.gz HYDYYUGNDWGHOE-BFYDXBDKSA-N 1 0 303.446 4.489 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC001560982560 1060847208 /nfs/dbraw/zinc/84/72/08/1060847208.db2.gz AGNXJLWTALZZHT-QFIPXVFZSA-N 1 0 323.480 4.005 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001560997278 1060856934 /nfs/dbraw/zinc/85/69/34/1060856934.db2.gz PODPDUIYBDHVQU-HOTGVXAUSA-N 1 0 324.509 4.356 20 30 DIEDRO C#CC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C(C)C ZINC001561032693 1060887282 /nfs/dbraw/zinc/88/72/82/1060887282.db2.gz NDVDBCUSKRIQAK-UHFFFAOYSA-N 1 0 312.482 4.228 20 30 DIEDRO N#CC1CCC([NH2+][C@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001561036411 1060888901 /nfs/dbraw/zinc/88/89/01/1060888901.db2.gz ZWRJSWVVVJGXCU-AFMYVXGZSA-N 1 0 305.425 4.037 20 30 DIEDRO C=CC(C)(C)[NH2+]CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001561042143 1060893191 /nfs/dbraw/zinc/89/31/91/1060893191.db2.gz QDCKFQFZLKXXMT-MQVJKMGUSA-N 1 0 322.493 4.109 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC001473195126 1060954405 /nfs/dbraw/zinc/95/44/05/1060954405.db2.gz RYWUFCMXKWPUFK-KDOFPFPSSA-N 1 0 324.424 4.442 20 30 DIEDRO CCc1ccc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC001473202430 1060963126 /nfs/dbraw/zinc/96/31/26/1060963126.db2.gz MKLSAWQRJAJPIR-QGZVFWFLSA-N 1 0 319.452 4.004 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc2cnccc2o1 ZINC001462146264 1060968743 /nfs/dbraw/zinc/96/87/43/1060968743.db2.gz QTXFNZNFHFWOCG-LLVKDONJSA-N 1 0 311.772 4.204 20 30 DIEDRO N#Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2F)ccc1F ZINC001250637743 1060972977 /nfs/dbraw/zinc/97/29/77/1060972977.db2.gz PZWSNGQRWFRKAL-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO C=C[C@H]1CCCCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC001462160202 1060980946 /nfs/dbraw/zinc/98/09/46/1060980946.db2.gz CCMFWWFXKUNULC-INIZCTEOSA-N 1 0 302.418 4.490 20 30 DIEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473215644 1060986514 /nfs/dbraw/zinc/98/65/14/1060986514.db2.gz KXWYPAHOFPBCHK-MAUKXSAKSA-N 1 0 308.400 4.150 20 30 DIEDRO C#CCCC[NH2+][C@@H](CC)CCc1ccc(Br)cc1 ZINC001462185528 1061005508 /nfs/dbraw/zinc/00/55/08/1061005508.db2.gz WVMOIWJIIWGIHC-INIZCTEOSA-N 1 0 308.263 4.163 20 30 DIEDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001473238094 1061015665 /nfs/dbraw/zinc/01/56/65/1061015665.db2.gz WGWQBBRMYUCLCV-IRXDYDNUSA-N 1 0 320.864 4.237 20 30 DIEDRO C[C@]1(C[NH2+][C@H]2CCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 ZINC001462201828 1061024384 /nfs/dbraw/zinc/02/43/84/1061024384.db2.gz PGZDMMJRQWWIBL-QHAWAJNXSA-N 1 0 302.421 4.329 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1)C(C)C ZINC001462212989 1061029357 /nfs/dbraw/zinc/02/93/57/1061029357.db2.gz VPYWWZNKUGZACR-FQEVSTJZSA-N 1 0 309.409 4.235 20 30 DIEDRO CCc1ccc([C@H]([NH2+]C[C@H](O)c2cccc(C#N)c2)C(C)C)cc1 ZINC001473256604 1061030423 /nfs/dbraw/zinc/03/04/23/1061030423.db2.gz PSJGRPYJXGEQKR-LEWJYISDSA-N 1 0 322.452 4.141 20 30 DIEDRO C=CCCCCCC[NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001462214142 1061032931 /nfs/dbraw/zinc/03/29/31/1061032931.db2.gz FQDYYBSXELUBAZ-KOHRHEQBSA-N 1 0 322.493 4.158 20 30 DIEDRO CCCCO[C@H]1C[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260046 1061033319 /nfs/dbraw/zinc/03/33/19/1061033319.db2.gz PRPYIWGAZUACPU-OALUTQOASA-N 1 0 317.448 4.093 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+]C1(Cc2cccc(Cl)c2)CC1 ZINC001462255128 1061056605 /nfs/dbraw/zinc/05/66/05/1061056605.db2.gz QXMKEYQZIMBGME-UHFFFAOYSA-N 1 0 314.791 4.216 20 30 DIEDRO C=Cc1ccc(CC[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC001462263747 1061059704 /nfs/dbraw/zinc/05/97/04/1061059704.db2.gz HFRCEYMXWZKBFQ-UHFFFAOYSA-N 1 0 302.421 4.086 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC001473291933 1061062532 /nfs/dbraw/zinc/06/25/32/1061062532.db2.gz SIQCQXQIQAZFTE-LJQANCHMSA-N 1 0 315.432 4.447 20 30 DIEDRO Cc1ccc(CC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC001473300539 1061065779 /nfs/dbraw/zinc/06/57/79/1061065779.db2.gz LWVKAWMFSUJZPC-UHFFFAOYSA-N 1 0 322.427 4.461 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCc2ccc(C#N)cc2)c1 ZINC001473306727 1061070231 /nfs/dbraw/zinc/07/02/31/1061070231.db2.gz WVRDUPUGMFDNHV-KKSFZXQISA-N 1 0 320.436 4.192 20 30 DIEDRO C#C[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccc(Br)cc1 ZINC001462280197 1061072801 /nfs/dbraw/zinc/07/28/01/1061072801.db2.gz QBRBFHCPPUBWEO-INIZCTEOSA-N 1 0 318.258 4.436 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2ccc(Cl)cc2)C2CC2)cc1 ZINC001473304752 1061073428 /nfs/dbraw/zinc/07/34/28/1061073428.db2.gz RRDRXEHBSYXGOX-UHFFFAOYSA-N 1 0 310.828 4.419 20 30 DIEDRO C#CCOCC[NH2+][C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001473310302 1061076028 /nfs/dbraw/zinc/07/60/28/1061076028.db2.gz ISZAEBAIJDGBGY-FCHUYYIVSA-N 1 0 319.448 4.087 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccc(OC(F)F)cc1)C(C)(C)C ZINC001462295288 1061085883 /nfs/dbraw/zinc/08/58/83/1061085883.db2.gz JMCNGCKHUBSTTB-CJNGLKHVSA-N 1 0 309.400 4.247 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cc(Cl)c(OC)cc1Cl)C(C)(C)C ZINC001462297969 1061088657 /nfs/dbraw/zinc/08/86/57/1061088657.db2.gz PQOJVICWQVOUAR-CQSZACIVSA-N 1 0 300.229 4.140 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC001473332952 1061091503 /nfs/dbraw/zinc/09/15/03/1061091503.db2.gz OJTGJHXNQMUSDQ-QAPCUYQASA-N 1 0 301.430 4.355 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(CC)CC)c1ccc(Cl)cc1 ZINC001462303785 1061091506 /nfs/dbraw/zinc/09/15/06/1061091506.db2.gz INANBQFDKCBLGU-GVDBMIGSSA-N 1 0 305.849 4.198 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cnc2ccc(C)cc2c1)c1ccccc1 ZINC001473332191 1061092795 /nfs/dbraw/zinc/09/27/95/1061092795.db2.gz USAJAHKRZSHKQV-HXUWFJFHSA-N 1 0 300.405 4.397 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC001473332953 1061093080 /nfs/dbraw/zinc/09/30/80/1061093080.db2.gz OJTGJHXNQMUSDQ-YJBOKZPZSA-N 1 0 301.430 4.355 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC001473336065 1061095204 /nfs/dbraw/zinc/09/52/04/1061095204.db2.gz QXFNBFMZOSUZJT-FQEVSTJZSA-N 1 0 310.416 4.363 20 30 DIEDRO CCSc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC001462311364 1061098789 /nfs/dbraw/zinc/09/87/89/1061098789.db2.gz YSOYBDOZIIWIQI-UHFFFAOYSA-N 1 0 300.402 4.099 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001473354798 1061109833 /nfs/dbraw/zinc/10/98/33/1061109833.db2.gz MNBYTIDHEJPKDI-LJQANCHMSA-N 1 0 306.409 4.164 20 30 DIEDRO COc1ccccc1C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(C)C ZINC001473371482 1061119234 /nfs/dbraw/zinc/11/92/34/1061119234.db2.gz XFCXITAZRSNXJY-OXQOHEQNSA-N 1 0 322.452 4.485 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+]Cc2ccc(C#N)c(F)c2)c(C)c1 ZINC001462347051 1061119563 /nfs/dbraw/zinc/11/95/63/1061119563.db2.gz GVEWYOVEJHEIOP-PLNGDYQASA-N 1 0 308.400 4.426 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)cc1Cl ZINC001462352656 1061124161 /nfs/dbraw/zinc/12/41/61/1061124161.db2.gz HEJHWFSCCNCXRR-UHFFFAOYSA-N 1 0 314.816 4.161 20 30 DIEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C ZINC001473382898 1061125355 /nfs/dbraw/zinc/12/53/55/1061125355.db2.gz DGBSHOQXQUVNBT-APWZRJJASA-N 1 0 300.446 4.228 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1Cl ZINC001462364253 1061129891 /nfs/dbraw/zinc/12/98/91/1061129891.db2.gz YVTFTJVBAQYYIW-CQSZACIVSA-N 1 0 308.853 4.311 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001473390902 1061131867 /nfs/dbraw/zinc/13/18/67/1061131867.db2.gz IJEVQXHNTRJSCN-AZUAARDMSA-N 1 0 320.436 4.068 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCN(C)c1ccccc1)c1ccc(F)c(F)c1 ZINC001473400885 1061135891 /nfs/dbraw/zinc/13/58/91/1061135891.db2.gz VIVUDLWPCHCJJT-IBGZPJMESA-N 1 0 316.395 4.308 20 30 DIEDRO C=CCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC001473415993 1061147393 /nfs/dbraw/zinc/14/73/93/1061147393.db2.gz HVRJAIQTEBJUBC-LJQANCHMSA-N 1 0 300.490 4.233 20 30 DIEDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473422147 1061150773 /nfs/dbraw/zinc/15/07/73/1061150773.db2.gz MHGRAWUUMMOXSS-HNNXBMFYSA-N 1 0 322.399 4.418 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC001473421744 1061151108 /nfs/dbraw/zinc/15/11/08/1061151108.db2.gz QMOCAJGZMFEVEF-INIZCTEOSA-N 1 0 324.509 4.099 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(Cl)c(C(=O)OC)n1 ZINC001462416060 1061161151 /nfs/dbraw/zinc/16/11/51/1061161151.db2.gz CQUVYIAWVIKZED-CYBMUJFWSA-N 1 0 324.852 4.136 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001473444824 1061163134 /nfs/dbraw/zinc/16/31/34/1061163134.db2.gz OWSMNXVYKXTSNN-INIZCTEOSA-N 1 0 308.441 4.424 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001462429195 1061167870 /nfs/dbraw/zinc/16/78/70/1061167870.db2.gz UWRYELWKESDQIR-ZFWWWQNUSA-N 1 0 308.809 4.473 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC001462429325 1061167924 /nfs/dbraw/zinc/16/79/24/1061167924.db2.gz WKVRFXODWWFIQO-DZGCQCFKSA-N 1 0 317.864 4.451 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001462430481 1061170259 /nfs/dbraw/zinc/17/02/59/1061170259.db2.gz YYJQKRZAIJOUOV-MNAZLIDISA-N 1 0 322.493 4.014 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1(C)C ZINC001473457638 1061170801 /nfs/dbraw/zinc/17/08/01/1061170801.db2.gz COJVQWBTRKOSCB-FHLIZLRMSA-N 1 0 300.446 4.193 20 30 DIEDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC001462437555 1061172022 /nfs/dbraw/zinc/17/20/22/1061172022.db2.gz ACKYFVYBONOTQC-UHFFFAOYSA-N 1 0 320.436 4.055 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)C12CCCCC2 ZINC001462440446 1061174248 /nfs/dbraw/zinc/17/42/48/1061174248.db2.gz NIPJNPUCHTWZTM-SJORKVTESA-N 1 0 304.478 4.178 20 30 DIEDRO Fc1ccccc1[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001473497557 1061193842 /nfs/dbraw/zinc/19/38/42/1061193842.db2.gz DGYSOJRCMIWIPR-INIZCTEOSA-N 1 0 313.803 4.320 20 30 DIEDRO CC(C)([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1F ZINC001473505555 1061202500 /nfs/dbraw/zinc/20/25/00/1061202500.db2.gz CYTDFXNESHTCIH-UHFFFAOYSA-N 1 0 301.792 4.356 20 30 DIEDRO CCCN(CC[NH+]1CCCCCC1)[C@H](C)c1cccc(C#N)c1 ZINC001473515694 1061207436 /nfs/dbraw/zinc/20/74/36/1061207436.db2.gz SLIOFRWOLGVXQR-GOSISDBHSA-N 1 0 313.489 4.207 20 30 DIEDRO CCCC[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC001473524665 1061223175 /nfs/dbraw/zinc/22/31/75/1061223175.db2.gz VFQGXVIWGOTFRS-LBPRGKRZSA-N 1 0 309.251 4.331 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001473534844 1061230574 /nfs/dbraw/zinc/23/05/74/1061230574.db2.gz TUMKWQLWDJOMFM-OAHLLOKOSA-N 1 0 313.828 4.359 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001473539714 1061231227 /nfs/dbraw/zinc/23/12/27/1061231227.db2.gz UQZKKDZGLQBYMM-LEWJYISDSA-N 1 0 304.437 4.369 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1ccc(C(=O)OC)cn1)c1ccccc1 ZINC001462549045 1061253858 /nfs/dbraw/zinc/25/38/58/1061253858.db2.gz KEVOUGWUWOANQP-IBGZPJMESA-N 1 0 324.424 4.055 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1ccc(C(=O)OC)cn1)c1ccccc1 ZINC001462549047 1061253968 /nfs/dbraw/zinc/25/39/68/1061253968.db2.gz KEVOUGWUWOANQP-LJQANCHMSA-N 1 0 324.424 4.055 20 30 DIEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)CC1(CC#N)CC1 ZINC001473573482 1061262576 /nfs/dbraw/zinc/26/25/76/1061262576.db2.gz LXXANNZMUDNQCD-UHFFFAOYSA-N 1 0 310.363 4.264 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC001473579582 1061267041 /nfs/dbraw/zinc/26/70/41/1061267041.db2.gz IKFBAMZDFPJVHO-HXUWFJFHSA-N 1 0 311.469 4.230 20 30 DIEDRO C=CC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001473585789 1061269398 /nfs/dbraw/zinc/26/93/98/1061269398.db2.gz JLNIYROURGHMDU-BPQIPLTHSA-N 1 0 315.457 4.008 20 30 DIEDRO Cc1cc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)ccc1C#N ZINC001462576733 1061274126 /nfs/dbraw/zinc/27/41/26/1061274126.db2.gz FWJJBCGDIVKMDI-INIZCTEOSA-N 1 0 312.363 4.134 20 30 DIEDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC001473615454 1061292863 /nfs/dbraw/zinc/29/28/63/1061292863.db2.gz BUCOUIUQQDUYEM-HXUWFJFHSA-N 1 0 308.400 4.055 20 30 DIEDRO C#CCC[N@H+]1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001473627591 1061298662 /nfs/dbraw/zinc/29/86/62/1061298662.db2.gz YIVPDRAFEZVPCU-MRXNPFEDSA-N 1 0 311.347 4.006 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001462615409 1061299043 /nfs/dbraw/zinc/29/90/43/1061299043.db2.gz FEWQYZHNYRFRMW-CVEARBPZSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001473627491 1061301214 /nfs/dbraw/zinc/30/12/14/1061301214.db2.gz LIAFKJYZQRDYRS-INIZCTEOSA-N 1 0 315.457 4.430 20 30 DIEDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001473634107 1061304354 /nfs/dbraw/zinc/30/43/54/1061304354.db2.gz CTSLGXGDGJGINN-FQEVSTJZSA-N 1 0 320.436 4.391 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001473637609 1061306364 /nfs/dbraw/zinc/30/63/64/1061306364.db2.gz IYNYBZJKAAQNDQ-YOEHRIQHSA-N 1 0 320.864 4.393 20 30 DIEDRO CCNc1ccccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001462630063 1061307232 /nfs/dbraw/zinc/30/72/32/1061307232.db2.gz OWKCJLMQDMXMSO-UHFFFAOYSA-N 1 0 319.452 4.370 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)CCc2ccccc21 ZINC001473635799 1061308595 /nfs/dbraw/zinc/30/85/95/1061308595.db2.gz VGQJHUYHJGPYHC-UHFFFAOYSA-N 1 0 308.400 4.033 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC001473638122 1061310377 /nfs/dbraw/zinc/31/03/77/1061310377.db2.gz PNFFXYOLZLKYEH-CZUORRHYSA-N 1 0 306.837 4.003 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC001473638121 1061311170 /nfs/dbraw/zinc/31/11/70/1061311170.db2.gz PNFFXYOLZLKYEH-CJNGLKHVSA-N 1 0 306.837 4.003 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@H]2CCCC23CCCCC3)c1 ZINC001473639997 1061311363 /nfs/dbraw/zinc/31/13/63/1061311363.db2.gz FGDLNTNATUCJRW-IBGZPJMESA-N 1 0 312.457 4.420 20 30 DIEDRO C#Cc1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001462647054 1061314078 /nfs/dbraw/zinc/31/40/78/1061314078.db2.gz XKLSAPWGOITGSK-FQEVSTJZSA-N 1 0 304.437 4.133 20 30 DIEDRO CC(C)c1ccc2c(c1)CCN(Cc1ccc(C#N)cc1F)C2 ZINC001462671671 1061328680 /nfs/dbraw/zinc/32/86/80/1061328680.db2.gz GSWFSEVQQGWAEO-UHFFFAOYSA-N 1 0 308.400 4.379 20 30 DIEDRO C[C@H]1CCC[C@H](C[NH+]2CCC(Nc3ccccc3C#N)CC2)C1 ZINC001473682710 1061342277 /nfs/dbraw/zinc/34/22/77/1061342277.db2.gz BLGAFEZDXXGHAV-IRXDYDNUSA-N 1 0 311.473 4.261 20 30 DIEDRO N#CCc1cccc2c1CCN(Cc1cc(Cl)ccc1F)C2 ZINC001473690905 1061350399 /nfs/dbraw/zinc/35/03/99/1061350399.db2.gz OZYZASCUDYIVNU-UHFFFAOYSA-N 1 0 314.791 4.103 20 30 DIEDRO CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001473704599 1061358560 /nfs/dbraw/zinc/35/85/60/1061358560.db2.gz QXHUOSAINWKGQC-LJQANCHMSA-N 1 0 308.400 4.465 20 30 DIEDRO C=CCCCC[N@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001473709032 1061361935 /nfs/dbraw/zinc/36/19/35/1061361935.db2.gz JWBRFCDZIPZCDE-MRXNPFEDSA-N 1 0 310.482 4.112 20 30 DIEDRO Clc1cccc(C#CC[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC001473727355 1061375469 /nfs/dbraw/zinc/37/54/69/1061375469.db2.gz FNQVFUYDMYUXKJ-IBGZPJMESA-N 1 0 317.860 4.115 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001473730279 1061375947 /nfs/dbraw/zinc/37/59/47/1061375947.db2.gz PSNJIHPERGCQIV-SFHVURJKSA-N 1 0 306.400 4.302 20 30 DIEDRO CCCCCCCCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001457090165 1061406833 /nfs/dbraw/zinc/40/68/33/1061406833.db2.gz WPHQAXRVDIFXGK-RTBURBONSA-N 1 0 322.537 4.458 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1cccc2ccccc21 ZINC001473804104 1061413875 /nfs/dbraw/zinc/41/38/75/1061413875.db2.gz ADPMXOULURSWKL-PXNSSMCTSA-N 1 0 322.452 4.325 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1cccc2ccccc21 ZINC001473804106 1061413907 /nfs/dbraw/zinc/41/39/07/1061413907.db2.gz ADPMXOULURSWKL-YLJYHZDGSA-N 1 0 322.452 4.325 20 30 DIEDRO C#CC[N@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)C(C)C ZINC001473819050 1061423361 /nfs/dbraw/zinc/42/33/61/1061423361.db2.gz JBKJOIMBCGCFJG-UHFFFAOYSA-N 1 0 311.425 4.068 20 30 DIEDRO N#Cc1ccc(C2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 ZINC001473838907 1061428372 /nfs/dbraw/zinc/42/83/72/1061428372.db2.gz NEBCZJDQGYEDBE-LEWJYISDSA-N 1 0 320.411 4.433 20 30 DIEDRO N#Cc1ccc(C2CC[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC001473838909 1061429391 /nfs/dbraw/zinc/42/93/91/1061429391.db2.gz NEBCZJDQGYEDBE-RTWAWAEBSA-N 1 0 320.411 4.433 20 30 DIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC001473843526 1061430562 /nfs/dbraw/zinc/43/05/62/1061430562.db2.gz FDNLOYSHWGPDKG-OKULMJQMSA-N 1 0 305.396 4.355 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC001473861578 1061437899 /nfs/dbraw/zinc/43/78/99/1061437899.db2.gz CIKZJUNNUYWXHF-QGZVFWFLSA-N 1 0 322.518 4.240 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@H]1CCN(C)C(=O)OC(C)(C)C ZINC001473904098 1061456469 /nfs/dbraw/zinc/45/64/69/1061456469.db2.gz MODMKACMBFRKKT-INIZCTEOSA-N 1 0 310.482 4.064 20 30 DIEDRO CCCCCCC[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC001473917059 1061465947 /nfs/dbraw/zinc/46/59/47/1061465947.db2.gz SFXQNKCSCUCXQE-UHFFFAOYSA-N 1 0 315.360 4.077 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC001473922982 1061472497 /nfs/dbraw/zinc/47/24/97/1061472497.db2.gz RGSHEXOPWYBKBN-TZIWHRDSSA-N 1 0 312.501 4.028 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)C1 ZINC001473938135 1061482132 /nfs/dbraw/zinc/48/21/32/1061482132.db2.gz CABAEIYYPLORLS-IEBWSBKVSA-N 1 0 313.489 4.152 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC001473937685 1061482883 /nfs/dbraw/zinc/48/28/83/1061482883.db2.gz GNXZSIWOCDAJJF-UHFFFAOYSA-N 1 0 308.400 4.136 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001457738110 1061492538 /nfs/dbraw/zinc/49/25/38/1061492538.db2.gz NWJXCCQJBRACMU-RTBURBONSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001457796352 1061503824 /nfs/dbraw/zinc/50/38/24/1061503824.db2.gz MHANEEHRICQQMR-IBGZPJMESA-N 1 0 316.489 4.080 20 30 DIEDRO Cc1ccc(OCCC[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC001473969072 1061513630 /nfs/dbraw/zinc/51/36/30/1061513630.db2.gz MAQLTQVBOAAWGH-UHFFFAOYSA-N 1 0 308.425 4.042 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)cc1C#N ZINC001473976133 1061521976 /nfs/dbraw/zinc/52/19/76/1061521976.db2.gz CFOZDMJFSQAUAA-SJLPKXTDSA-N 1 0 300.446 4.261 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC001473989166 1061530466 /nfs/dbraw/zinc/53/04/66/1061530466.db2.gz ULXXWXVPUNLYRX-HIFRSBDPSA-N 1 0 324.262 4.162 20 30 DIEDRO CC(C)(C)c1ccccc1OCC[NH2+]Cc1csc(C#N)c1 ZINC001473994253 1061537049 /nfs/dbraw/zinc/53/70/49/1061537049.db2.gz VNQMGZPLUSUBGN-UHFFFAOYSA-N 1 0 314.454 4.086 20 30 DIEDRO CC(C)C1CCC(C[NH2+]Cc2cccc(OCC#N)c2)CC1 ZINC001474001098 1061542388 /nfs/dbraw/zinc/54/23/88/1061542388.db2.gz AZYSCYMPHRNODZ-UHFFFAOYSA-N 1 0 300.446 4.141 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(CC)CC2)cc1OC ZINC001474033644 1061577002 /nfs/dbraw/zinc/57/70/02/1061577002.db2.gz VYRIWWPZTORQST-UHFFFAOYSA-N 1 0 309.837 4.193 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CCCc1ncccc1C ZINC001252120238 1061578122 /nfs/dbraw/zinc/57/81/22/1061578122.db2.gz QUGDTGBXMITRDT-GOSISDBHSA-N 1 0 306.494 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001252123321 1061582670 /nfs/dbraw/zinc/58/26/70/1061582670.db2.gz FYMJUCNNKZXMLO-HXUWFJFHSA-N 1 0 314.473 4.028 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001252128626 1061583846 /nfs/dbraw/zinc/58/38/46/1061583846.db2.gz PMSPYQSHUOFFHK-OALUTQOASA-N 1 0 304.478 4.330 20 30 DIEDRO CCCCCCCC[C@@H](O)CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001252128836 1061584484 /nfs/dbraw/zinc/58/44/84/1061584484.db2.gz QSCMMPYBTXBCHB-WOJBJXKFSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCC[C@@H](O)CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001252128835 1061586649 /nfs/dbraw/zinc/58/66/49/1061586649.db2.gz QSCMMPYBTXBCHB-VQTJNVASSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@H+](C1CCC1)C1CCOCC1 ZINC001252132318 1061591248 /nfs/dbraw/zinc/59/12/48/1061591248.db2.gz FNQNCQIEANYPQN-LJQANCHMSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001252133904 1061591505 /nfs/dbraw/zinc/59/15/05/1061591505.db2.gz LZIPJYGWMUPNCT-IBGZPJMESA-N 1 0 314.473 4.248 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC001252134277 1061592749 /nfs/dbraw/zinc/59/27/49/1061592749.db2.gz WQWLVHVBEBVHIU-IBGZPJMESA-N 1 0 302.462 4.102 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001252136958 1061594409 /nfs/dbraw/zinc/59/44/09/1061594409.db2.gz UXBKIOWNDDWAAI-LPHOPBHVSA-N 1 0 302.462 4.320 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCCc2cccnc21 ZINC001252134686 1061594808 /nfs/dbraw/zinc/59/48/08/1061594808.db2.gz SMUNGAZBWFKEMI-QZTJIDSGSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCCc2cccnc21 ZINC001252134685 1061595624 /nfs/dbraw/zinc/59/56/24/1061595624.db2.gz SMUNGAZBWFKEMI-MSOLQXFVSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](c1cccnc1F)C1CC1 ZINC001252139570 1061596425 /nfs/dbraw/zinc/59/64/25/1061596425.db2.gz PMEYUTDNYAUZSP-WMZOPIPTSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC001252138699 1061596855 /nfs/dbraw/zinc/59/68/55/1061596855.db2.gz CRQMDLIKAFCCAU-MJGOQNOKSA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1cccnc1F)C1CC1 ZINC001252139569 1061597580 /nfs/dbraw/zinc/59/75/80/1061597580.db2.gz PMEYUTDNYAUZSP-SJLPKXTDSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C1(Cc2ccc(O)cc2)CC1 ZINC001252140061 1061597734 /nfs/dbraw/zinc/59/77/34/1061597734.db2.gz XVVXTVPSQYRRQR-IBGZPJMESA-N 1 0 319.489 4.168 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc(COC)c1 ZINC001252140962 1061601086 /nfs/dbraw/zinc/60/10/86/1061601086.db2.gz WBTYCIRNISLITB-IBGZPJMESA-N 1 0 307.478 4.034 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc(OC)c1F ZINC001252140311 1061601175 /nfs/dbraw/zinc/60/11/75/1061601175.db2.gz PNEKIANGQPWXSQ-INIZCTEOSA-N 1 0 311.441 4.035 20 30 DIEDRO C=CCC1(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CCCCC1 ZINC001464563797 1061609220 /nfs/dbraw/zinc/60/92/20/1061609220.db2.gz VICSMJSTJDEYBL-SFHVURJKSA-N 1 0 320.521 4.284 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC001474098967 1061645685 /nfs/dbraw/zinc/64/56/85/1061645685.db2.gz XPRHIKSIHYTYPV-JOCHJYFZSA-N 1 0 319.448 4.082 20 30 DIEDRO C=C[C@@](C)(O)C[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC001252551128 1061660628 /nfs/dbraw/zinc/66/06/28/1061660628.db2.gz QPARKCVWPZYCDT-OAQYLSRUSA-N 1 0 321.464 4.006 20 30 DIEDRO C=C[C@@](C)(O)C[NH+]1CCC(c2csc3ccccc32)CC1 ZINC001252555728 1061664535 /nfs/dbraw/zinc/66/45/35/1061664535.db2.gz BCFUTZDOICZHFI-GOSISDBHSA-N 1 0 301.455 4.018 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC(C(C)C)C(C)C ZINC001474119152 1061668643 /nfs/dbraw/zinc/66/86/43/1061668643.db2.gz UOMOBWKTVCCJQC-UHFFFAOYSA-N 1 0 307.865 4.370 20 30 DIEDRO C=C[C@@](C)(O)C[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC001252581784 1061669366 /nfs/dbraw/zinc/66/93/66/1061669366.db2.gz JQMAQHSNGPHHKI-FGZHOGPDSA-N 1 0 317.432 4.456 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CCCC)Cc1c[nH]c2ccccc12 ZINC001252620706 1061678563 /nfs/dbraw/zinc/67/85/63/1061678563.db2.gz YOQTVDFLRCETQI-ZWKOTPCHSA-N 1 0 314.473 4.186 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCc2ccccc2CC1 ZINC001474135010 1061681531 /nfs/dbraw/zinc/68/15/31/1061681531.db2.gz YZCBHTWKBHIBIO-NRFANRHFSA-N 1 0 302.421 4.083 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C1(c2ccccc2C)CCC(F)(F)CC1 ZINC001252623749 1061682583 /nfs/dbraw/zinc/68/25/83/1061682583.db2.gz QFPUEBPXHJBDPS-MRXNPFEDSA-N 1 0 323.427 4.316 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(SC(F)(F)F)cc1 ZINC001252624563 1061682848 /nfs/dbraw/zinc/68/28/48/1061682848.db2.gz IMYQTWWDIYETHX-DGCLKSJQSA-N 1 0 319.392 4.276 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C1(c2ccc(C)cc2)CCC(F)(F)CC1 ZINC001252623158 1061683338 /nfs/dbraw/zinc/68/33/38/1061683338.db2.gz FUTVUGOFZDUTMG-QGZVFWFLSA-N 1 0 323.427 4.316 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C1(c2ccccc2)CCC(F)(F)CC1 ZINC001252622668 1061683359 /nfs/dbraw/zinc/68/33/59/1061683359.db2.gz YONGFMDUULALOH-INIZCTEOSA-N 1 0 309.400 4.008 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCOc2ccc(Cl)c(Cl)c2)cc1 ZINC001474162340 1061705763 /nfs/dbraw/zinc/70/57/63/1061705763.db2.gz ZNOIZRDYVJDCCW-UHFFFAOYSA-N 1 0 320.219 4.143 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c1 ZINC001474178552 1061725038 /nfs/dbraw/zinc/72/50/38/1061725038.db2.gz JXHWBJGZEFNNKW-UHFFFAOYSA-N 1 0 307.290 4.116 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cc3cccc(C)c3nc2Cl)c1 ZINC001474181106 1061729699 /nfs/dbraw/zinc/72/96/99/1061729699.db2.gz VIILPOMPOKJQDM-UHFFFAOYSA-N 1 0 320.823 4.468 20 30 DIEDRO COc1ccc(C[NH2+]CC2(C)CCC(C)(C)CC2)cc1C#N ZINC001474183422 1061731258 /nfs/dbraw/zinc/73/12/58/1061731258.db2.gz UNDKXBNAQKPLCX-UHFFFAOYSA-N 1 0 300.446 4.263 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)s1 ZINC001474183779 1061732381 /nfs/dbraw/zinc/73/23/81/1061732381.db2.gz IITJHURIHWKHBG-UHFFFAOYSA-N 1 0 310.394 4.224 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001252828547 1061732482 /nfs/dbraw/zinc/73/24/82/1061732482.db2.gz YMNCAKCTGHIMLF-UHFFFAOYSA-N 1 0 311.429 4.143 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1 ZINC001474192196 1061742663 /nfs/dbraw/zinc/74/26/63/1061742663.db2.gz MXVOBMDZSWOEER-UHFFFAOYSA-N 1 0 305.208 4.349 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC001474208295 1061762588 /nfs/dbraw/zinc/76/25/88/1061762588.db2.gz ZCOIZGFFQMDCPW-DOTOQJQBSA-N 1 0 318.461 4.033 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cccc3c2OCCO3)CCCC1 ZINC001474207889 1061763286 /nfs/dbraw/zinc/76/32/86/1061763286.db2.gz KATXJDLMDZPBOT-UHFFFAOYSA-N 1 0 301.430 4.074 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC001474208107 1061763738 /nfs/dbraw/zinc/76/37/38/1061763738.db2.gz RVYJKRBKKUIGDZ-YOEHRIQHSA-N 1 0 315.486 4.373 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccc(C)c1Br ZINC001474207951 1061764336 /nfs/dbraw/zinc/76/43/36/1061764336.db2.gz MELCNXNQWAWSNE-KGLIPLIRSA-N 1 0 323.278 4.377 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]CCc1ccncc1 ZINC001252981011 1061771329 /nfs/dbraw/zinc/77/13/29/1061771329.db2.gz XAEUWUGHHREKGP-IBGZPJMESA-N 1 0 306.494 4.105 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ncccc1OC ZINC001252985726 1061774723 /nfs/dbraw/zinc/77/47/23/1061774723.db2.gz GGDKYBVPBNADDY-KRWDZBQOSA-N 1 0 322.493 4.072 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccccc1CO ZINC001252985284 1061775016 /nfs/dbraw/zinc/77/50/16/1061775016.db2.gz CYVKLOAKIUBUIN-FQEVSTJZSA-N 1 0 321.505 4.160 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]CC1(C)CCOCC1 ZINC001252986224 1061775554 /nfs/dbraw/zinc/77/55/54/1061775554.db2.gz KILHBVQOEPYSTH-SFHVURJKSA-N 1 0 313.526 4.284 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cccc(F)n1 ZINC001252985797 1061776755 /nfs/dbraw/zinc/77/67/55/1061776755.db2.gz HIIAZLTUGGYFOZ-KRWDZBQOSA-N 1 0 310.457 4.202 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC001252984992 1061776954 /nfs/dbraw/zinc/77/69/54/1061776954.db2.gz CDCSDNACQNDIDF-QYZOEREBSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001252987109 1061778802 /nfs/dbraw/zinc/77/88/02/1061778802.db2.gz QSAHETSTMFJJGB-ROUUACIJSA-N 1 0 313.526 4.425 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cncn1C(C)C ZINC001252989107 1061779393 /nfs/dbraw/zinc/77/93/93/1061779393.db2.gz MYSODCUCWLUHRC-IBGZPJMESA-N 1 0 323.525 4.445 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(OC)cn1 ZINC001252987732 1061779493 /nfs/dbraw/zinc/77/94/93/1061779493.db2.gz WIPSIHATMCRFLU-SFHVURJKSA-N 1 0 322.493 4.072 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC001474231273 1061791687 /nfs/dbraw/zinc/79/16/87/1061791687.db2.gz PSOALHBEHGPUAK-IBGZPJMESA-N 1 0 317.473 4.326 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)cc1C#N ZINC001474230561 1061793268 /nfs/dbraw/zinc/79/32/68/1061793268.db2.gz DIBWZKVYMJPFBF-HXUWFJFHSA-N 1 0 308.425 4.362 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC001474231590 1061796184 /nfs/dbraw/zinc/79/61/84/1061796184.db2.gz WFMFFBZAAZAIBB-UHFFFAOYSA-N 1 0 311.853 4.439 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)C2 ZINC001474245558 1061810922 /nfs/dbraw/zinc/81/09/22/1061810922.db2.gz RQCMLBIGGSZJOD-AWEZNQCLSA-N 1 0 317.219 4.122 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC001474256076 1061823021 /nfs/dbraw/zinc/82/30/21/1061823021.db2.gz FXLWLWFHMZJRPN-UHFFFAOYSA-N 1 0 313.388 4.379 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(C)C)cc1 ZINC001474267295 1061834289 /nfs/dbraw/zinc/83/42/89/1061834289.db2.gz RMKWPVNZCBZWRQ-QFIPXVFZSA-N 1 0 321.464 4.446 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC001253234324 1061836637 /nfs/dbraw/zinc/83/66/37/1061836637.db2.gz ZAOYFRRNAOYDEM-IBGZPJMESA-N 1 0 314.473 4.487 20 30 DIEDRO C=CCCCCCC[C@@H](O)CN1CC[NH+](CCCCCC)CC1 ZINC001253240126 1061837035 /nfs/dbraw/zinc/83/70/35/1061837035.db2.gz ZQLWZJKTWRVWBG-HXUWFJFHSA-N 1 0 324.553 4.072 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC(c2ccccn2)CC1 ZINC001253239791 1061838397 /nfs/dbraw/zinc/83/83/97/1061838397.db2.gz SOXMEFBVNFBHEZ-IBGZPJMESA-N 1 0 316.489 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCC(C)(C)O2)CC1 ZINC001253240898 1061841258 /nfs/dbraw/zinc/84/12/58/1061841258.db2.gz BORZWUYDEFTUFO-GOSISDBHSA-N 1 0 323.521 4.298 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2COC[C@H]2C)c1 ZINC001474276271 1061843603 /nfs/dbraw/zinc/84/36/03/1061843603.db2.gz PPJLUYFWROZYQP-APWZRJJASA-N 1 0 305.462 4.160 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1nc2ccccc2s1 ZINC001253246764 1061847600 /nfs/dbraw/zinc/84/76/00/1061847600.db2.gz UHFLJROPPMRXED-OAHLLOKOSA-N 1 0 318.486 4.273 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001253249003 1061849918 /nfs/dbraw/zinc/84/99/18/1061849918.db2.gz FWPPXAULILRMNM-LPHOPBHVSA-N 1 0 300.446 4.096 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2ccccc2n1 ZINC001253248117 1061850012 /nfs/dbraw/zinc/85/00/12/1061850012.db2.gz QKFNVUXATICGEF-LJQANCHMSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC001253248772 1061850841 /nfs/dbraw/zinc/85/08/41/1061850841.db2.gz BTNAETDLKPRVNU-RBUKOAKNSA-N 1 0 304.478 4.256 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1cccnc1)C(C)C ZINC001253248771 1061851056 /nfs/dbraw/zinc/85/10/56/1061851056.db2.gz BTNAETDLKPRVNU-OALUTQOASA-N 1 0 304.478 4.256 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cc2ccccc2n1C ZINC001253248342 1061851132 /nfs/dbraw/zinc/85/11/32/1061851132.db2.gz UYLWMQQJGJCWDZ-LJQANCHMSA-N 1 0 314.473 4.155 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1cccnc1)C(C)C ZINC001253248770 1061851770 /nfs/dbraw/zinc/85/17/70/1061851770.db2.gz BTNAETDLKPRVNU-MOPGFXCFSA-N 1 0 304.478 4.256 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C(C)=O)cc1 ZINC001253252296 1061853299 /nfs/dbraw/zinc/85/32/99/1061853299.db2.gz URARSQLAGASUPF-OXJNMPFZSA-N 1 0 317.473 4.427 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001253251520 1061853616 /nfs/dbraw/zinc/85/36/16/1061853616.db2.gz LXKOGYXQFRKZPH-OTWHNJEPSA-N 1 0 305.437 4.159 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccnc(F)c1)C1CC1 ZINC001253252954 1061854168 /nfs/dbraw/zinc/85/41/68/1061854168.db2.gz AFAGOWVXWOQDAT-IEBWSBKVSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001253251518 1061854586 /nfs/dbraw/zinc/85/45/86/1061854586.db2.gz LXKOGYXQFRKZPH-GBESFXJTSA-N 1 0 305.437 4.159 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCc3ccccc3C2)cc1 ZINC001474285781 1061855856 /nfs/dbraw/zinc/85/58/56/1061855856.db2.gz UCWSFQXBEMZVIA-OAQYLSRUSA-N 1 0 319.448 4.126 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cccc2cccnc21 ZINC001253255346 1061856939 /nfs/dbraw/zinc/85/69/39/1061856939.db2.gz YCEMABBHLZSKFU-LJQANCHMSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001253256820 1061859841 /nfs/dbraw/zinc/85/98/41/1061859841.db2.gz GDGVAMOBEDQZOA-INIZCTEOSA-N 1 0 324.896 4.447 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2onc(C)c2c1 ZINC001253256467 1061859878 /nfs/dbraw/zinc/85/98/78/1061859878.db2.gz YOKVMULTDNQSSX-QGZVFWFLSA-N 1 0 316.445 4.113 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001253255924 1061860794 /nfs/dbraw/zinc/86/07/94/1061860794.db2.gz OQETURNOSFIMAI-RTBURBONSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1cncc(C)c1)C1CC1 ZINC001253257495 1061861341 /nfs/dbraw/zinc/86/13/41/1061861341.db2.gz WVAUGAAWNBRGET-UXHICEINSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(F)c1OC ZINC001253257185 1061861719 /nfs/dbraw/zinc/86/17/19/1061861719.db2.gz OHRRKEZLFROQFP-JKSUJKDBSA-N 1 0 323.452 4.372 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)ccc1C#N ZINC001474327101 1061914591 /nfs/dbraw/zinc/91/45/91/1061914591.db2.gz PFIZZHIZTZCTHZ-KBXCAEBGSA-N 1 0 324.424 4.442 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1cncn1C ZINC001253562976 1061927300 /nfs/dbraw/zinc/92/73/00/1061927300.db2.gz HQAJTTCLUZSSIO-IBGZPJMESA-N 1 0 323.525 4.182 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1cnco1 ZINC001253565830 1061929869 /nfs/dbraw/zinc/92/98/69/1061929869.db2.gz TWUNEKOXAHRLKT-KRWDZBQOSA-N 1 0 310.482 4.436 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1ncc[nH]1 ZINC001253564834 1061932867 /nfs/dbraw/zinc/93/28/67/1061932867.db2.gz HVZCBQTXKKMQLB-QGZVFWFLSA-N 1 0 309.498 4.171 20 30 DIEDRO C=C[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC001253608232 1061938432 /nfs/dbraw/zinc/93/84/32/1061938432.db2.gz KCFDEOQSAWWPMP-WIYYLYMNSA-N 1 0 303.405 4.066 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC001474346424 1061952053 /nfs/dbraw/zinc/95/20/53/1061952053.db2.gz AFRWYEPDHCZEIF-KRWDZBQOSA-N 1 0 304.437 4.477 20 30 DIEDRO C=CC[N@H+](C[C@H](O)C(c1ccccc1)c1ccccc1)C(C)(C)C ZINC001253929932 1062000579 /nfs/dbraw/zinc/00/05/79/1062000579.db2.gz RIKCVJWGVTYBHE-FQEVSTJZSA-N 1 0 323.480 4.466 20 30 DIEDRO COc1ccc(C2(C[NH2+][C@@H](C)CC(C)(C)C#N)CCC2)cc1 ZINC001474385909 1062035083 /nfs/dbraw/zinc/03/50/83/1062035083.db2.gz DSMBHFOYRROEGN-HNNXBMFYSA-N 1 0 300.446 4.035 20 30 DIEDRO C[C@@H]([NH2+]CCCCOc1ccccc1)c1ccc(C#N)c(F)c1 ZINC001254214990 1062050348 /nfs/dbraw/zinc/05/03/48/1062050348.db2.gz CAFXVCNPKBJLOB-OAHLLOKOSA-N 1 0 312.388 4.207 20 30 DIEDRO FC(F)(F)C(CC[NH2+]C1CCC(F)(F)CC1)C(F)(F)F ZINC001254216984 1062052834 /nfs/dbraw/zinc/05/28/34/1062052834.db2.gz OPAVYTJQBCPSSS-UHFFFAOYSA-N 1 0 313.232 4.285 20 30 DIEDRO CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001459308401 1062078516 /nfs/dbraw/zinc/07/85/16/1062078516.db2.gz HYDRHUZKXHHGIK-FQEVSTJZSA-N 1 0 313.489 4.033 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C2CCSCC2)CC1 ZINC001254345044 1062081538 /nfs/dbraw/zinc/08/15/38/1062081538.db2.gz ODJJZVADBWBUPG-UHFFFAOYSA-N 1 0 318.461 4.015 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC2(CCC2)O1 ZINC001459311522 1062081916 /nfs/dbraw/zinc/08/19/16/1062081916.db2.gz JLLFJOUUAIBNMR-LJQANCHMSA-N 1 0 312.457 4.262 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1ccccn1 ZINC001254344763 1062082477 /nfs/dbraw/zinc/08/24/77/1062082477.db2.gz FSIRFCVBTVRNIE-MYWSLZCHSA-N 1 0 323.415 4.275 20 30 DIEDRO CC[C@H]1CCC[N@@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254356319 1062084314 /nfs/dbraw/zinc/08/43/14/1062084314.db2.gz OLEVKSSYGYTINS-VIQWUECVSA-N 1 0 300.421 4.404 20 30 DIEDRO C[N@H+](Cc1cccnc1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254353079 1062085191 /nfs/dbraw/zinc/08/51/91/1062085191.db2.gz PJYNDDRBPRGQCE-UHFFFAOYSA-N 1 0 323.415 4.057 20 30 DIEDRO C[C@@H]1CC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C[C@H]1F ZINC001254353330 1062085974 /nfs/dbraw/zinc/08/59/74/1062085974.db2.gz ZNPUSMDUZBDSNG-ZIPRAHGXSA-N 1 0 318.411 4.210 20 30 DIEDRO C[C@H]1CCC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353290 1062086036 /nfs/dbraw/zinc/08/60/36/1062086036.db2.gz YSQNMQYZWZCILK-MNNVXMFVSA-N 1 0 300.421 4.262 20 30 DIEDRO Cc1cc(Br)cc2c1C[N@H+](C[C@H](C)CCC#N)CC2 ZINC001474429000 1062103555 /nfs/dbraw/zinc/10/35/55/1062103555.db2.gz BCBLXZYYVNFUFC-GFCCVEGCSA-N 1 0 321.262 4.056 20 30 DIEDRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001474437517 1062115378 /nfs/dbraw/zinc/11/53/78/1062115378.db2.gz ZGISPPISHFIOBK-HOTGVXAUSA-N 1 0 324.472 4.263 20 30 DIEDRO C#CC[N@@H+](CCOc1ccc(SC)cc1)C1CCCCC1 ZINC001459388480 1062124887 /nfs/dbraw/zinc/12/48/87/1062124887.db2.gz ACEQTGJDLPZCNF-UHFFFAOYSA-N 1 0 303.471 4.055 20 30 DIEDRO C=CCCc1ccccc1NC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001467417405 1062125266 /nfs/dbraw/zinc/12/52/66/1062125266.db2.gz HNDMASJHLBNOEW-UHFFFAOYSA-N 1 0 314.473 4.112 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1cccc(C)c1Br ZINC001474446885 1062126523 /nfs/dbraw/zinc/12/65/23/1062126523.db2.gz FYWGKJFPOFDJCN-UHFFFAOYSA-N 1 0 308.263 4.431 20 30 DIEDRO C=CC[N@H+](CCCc1ccccc1OC)CCc1ccccc1 ZINC001459395533 1062128127 /nfs/dbraw/zinc/12/81/27/1062128127.db2.gz ZKNNMCYJQCDKTC-UHFFFAOYSA-N 1 0 309.453 4.359 20 30 DIEDRO C=CC[N@@H+](CCCc1ccccc1OC)Cc1cccc(C#N)c1 ZINC001459400736 1062128539 /nfs/dbraw/zinc/12/85/39/1062128539.db2.gz RBGMDRAJUOOIJW-UHFFFAOYSA-N 1 0 320.436 4.188 20 30 DIEDRO CCC[C@@H](CCc1ccccc1)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001254486248 1062129122 /nfs/dbraw/zinc/12/91/22/1062129122.db2.gz WZMPQXNVZYSRJS-IBGZPJMESA-N 1 0 305.425 4.065 20 30 DIEDRO CC(C)[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC001474456516 1062133704 /nfs/dbraw/zinc/13/37/04/1062133704.db2.gz NAAGAWARPXLXLH-LJQANCHMSA-N 1 0 310.416 4.302 20 30 DIEDRO CCC[C@H](CCc1ccccc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001254493026 1062134606 /nfs/dbraw/zinc/13/46/06/1062134606.db2.gz IVOAYPWGVXPQBQ-QZTJIDSGSA-N 1 0 315.482 4.062 20 30 DIEDRO N#Cc1ccc(CC[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC001459468922 1062159447 /nfs/dbraw/zinc/15/94/47/1062159447.db2.gz OXFQUPGONLLGKO-UHFFFAOYSA-N 1 0 320.436 4.251 20 30 DIEDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC001474482751 1062161905 /nfs/dbraw/zinc/16/19/05/1062161905.db2.gz HIYZRRXDSMXKPG-QAPCUYQASA-N 1 0 308.400 4.384 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001474484110 1062163963 /nfs/dbraw/zinc/16/39/63/1062163963.db2.gz SBNSTNJXMBALHQ-BBWFWOEESA-N 1 0 324.509 4.499 20 30 DIEDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001459494537 1062169280 /nfs/dbraw/zinc/16/92/80/1062169280.db2.gz WUMODQDBFINQSL-INIZCTEOSA-N 1 0 315.417 4.115 20 30 DIEDRO CC(C)CCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001474491721 1062170559 /nfs/dbraw/zinc/17/05/59/1062170559.db2.gz LXVIQGBDGWFZMC-UHFFFAOYSA-N 1 0 300.446 4.228 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2c2ccc(C)cc2)ccc1C#N ZINC001474502867 1062185072 /nfs/dbraw/zinc/18/50/72/1062185072.db2.gz NWZWFLLTVLOEKL-PMACEKPBSA-N 1 0 320.436 4.301 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1CCC2(CCC2)CO1 ZINC001459535176 1062189012 /nfs/dbraw/zinc/18/90/12/1062189012.db2.gz YVBORSVSLILRDB-XUVXKRRUSA-N 1 0 324.468 4.107 20 30 DIEDRO CC(C[NH2+][C@@H]1CC[C@@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC001254634582 1062207836 /nfs/dbraw/zinc/20/78/36/1062207836.db2.gz AGZKANHQRGPSPI-YLJYHZDGSA-N 1 0 304.437 4.274 20 30 DIEDRO Cc1cc2c(s1)N([C@H]1CC[C@H](C#N)C1)c1ccccc1NC2=N ZINC001254636703 1062208069 /nfs/dbraw/zinc/20/80/69/1062208069.db2.gz LIEXPDJQMFTXEI-STQMWFEESA-N 1 0 322.437 4.237 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C1 ZINC001254638425 1062210197 /nfs/dbraw/zinc/21/01/97/1062210197.db2.gz XXOYAVHVTOZSMH-ZWKOTPCHSA-N 1 0 306.409 4.303 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC001254650823 1062214436 /nfs/dbraw/zinc/21/44/36/1062214436.db2.gz XUKXINGEJMVZGS-DFBGVHRSSA-N 1 0 307.235 4.182 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2c3ccccc3CCc3ccccc32)C1 ZINC001254645936 1062214647 /nfs/dbraw/zinc/21/46/47/1062214647.db2.gz IFZVTDOFKQGKIN-LPHOPBHVSA-N 1 0 316.448 4.199 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCOc2ccc(-c3ccccc3)cc2)C1 ZINC001254643052 1062215232 /nfs/dbraw/zinc/21/52/32/1062215232.db2.gz ITJFQNORSQLUNO-QFBILLFUSA-N 1 0 306.409 4.014 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CCC2)C1 ZINC001254650150 1062215541 /nfs/dbraw/zinc/21/55/41/1062215541.db2.gz XYNYRHRQRSCANP-CHWSQXEVSA-N 1 0 308.347 4.366 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)cc2)C1 ZINC001254644708 1062215563 /nfs/dbraw/zinc/21/55/63/1062215563.db2.gz VFEHIWJNVBSEMN-XVPDYNCKSA-N 1 0 318.420 4.197 20 30 DIEDRO CCc1ccccc1-c1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cs1 ZINC001254652942 1062217630 /nfs/dbraw/zinc/21/76/30/1062217630.db2.gz INEHYWFMZJDFIQ-DZGCQCFKSA-N 1 0 311.454 4.154 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccc(CCc3ccccc3)cc2)C1 ZINC001254652926 1062217737 /nfs/dbraw/zinc/21/77/37/1062217737.db2.gz IHTGGJDCHWDLBJ-YADHBBJMSA-N 1 0 318.464 4.296 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001459568337 1062218492 /nfs/dbraw/zinc/21/84/92/1062218492.db2.gz AHQLLBKKSJTNHR-BFUOFWGJSA-N 1 0 312.363 4.420 20 30 DIEDRO CC(C)(Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254654796 1062218651 /nfs/dbraw/zinc/21/86/51/1062218651.db2.gz AKAKZULYYSQURN-TZMCWYRMSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CCC2)C1 ZINC001254659113 1062218905 /nfs/dbraw/zinc/21/89/05/1062218905.db2.gz ZIQSEFPGLXOSHI-UKRRQHHQSA-N 1 0 322.374 4.452 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC001254659707 1062218926 /nfs/dbraw/zinc/21/89/26/1062218926.db2.gz BMJBBCPWWSYMSN-KCXAZCMYSA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001254659692 1062218987 /nfs/dbraw/zinc/21/89/87/1062218987.db2.gz BFYHYNWPXSJADL-IOASZLSFSA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3nc(-c4ccccc4)oc3c2)C1 ZINC001254655575 1062219501 /nfs/dbraw/zinc/21/95/01/1062219501.db2.gz DUFOAMUZNCJZMO-WMLDXEAASA-N 1 0 317.392 4.277 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC001254657177 1062221003 /nfs/dbraw/zinc/22/10/03/1062221003.db2.gz OBUNEOSMEDEXLR-WQGACYEGSA-N 1 0 319.246 4.108 20 30 DIEDRO N#C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254673924 1062225065 /nfs/dbraw/zinc/22/50/65/1062225065.db2.gz REGUZJRTGBLZQL-VYHVBIQSSA-N 1 0 321.251 4.259 20 30 DIEDRO N#C[C@H]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)C1 ZINC001254673496 1062225462 /nfs/dbraw/zinc/22/54/62/1062225462.db2.gz LNIMHTDVTJRPAG-ZFWWWQNUSA-N 1 0 311.404 4.112 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC001254670807 1062226370 /nfs/dbraw/zinc/22/63/70/1062226370.db2.gz MOJBTLMCTMUCJS-NHCUHLMSSA-N 1 0 304.437 4.424 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC001254672061 1062227116 /nfs/dbraw/zinc/22/71/16/1062227116.db2.gz XEBVJPVRIVGSRO-KCXAZCMYSA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC001254677867 1062228980 /nfs/dbraw/zinc/22/89/80/1062228980.db2.gz XCWNLTXSMDCXAU-IVMMDQJWSA-N 1 0 324.346 4.414 20 30 DIEDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)cc1 ZINC001254679552 1062231095 /nfs/dbraw/zinc/23/10/95/1062231095.db2.gz NQCRZKQPPBQMAE-JQHSSLGASA-N 1 0 312.457 4.345 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)C1 ZINC001474545000 1062238815 /nfs/dbraw/zinc/23/88/15/1062238815.db2.gz ZPWNXZIEEHJXJM-UXLLHSPISA-N 1 0 313.420 4.407 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)C1 ZINC001474545005 1062239996 /nfs/dbraw/zinc/23/99/96/1062239996.db2.gz ZPWNXZIEEHJXJM-ZOBUZTSGSA-N 1 0 313.420 4.407 20 30 DIEDRO Cc1ccc([C@@H]([NH2+]Cc2cccc(OCC#N)c2)C2CCC2)o1 ZINC001254729546 1062241491 /nfs/dbraw/zinc/24/14/91/1062241491.db2.gz JDRVMAJWJCSSFJ-IBGZPJMESA-N 1 0 310.397 4.121 20 30 DIEDRO Cc1ccc([C@H]([NH2+]Cc2cccc(OCC#N)c2)C2CCC2)o1 ZINC001254729547 1062243180 /nfs/dbraw/zinc/24/31/80/1062243180.db2.gz JDRVMAJWJCSSFJ-LJQANCHMSA-N 1 0 310.397 4.121 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254785163 1062247611 /nfs/dbraw/zinc/24/76/11/1062247611.db2.gz BYZGBFBVLCQFGT-INIZCTEOSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254785164 1062249251 /nfs/dbraw/zinc/24/92/51/1062249251.db2.gz BYZGBFBVLCQFGT-MRXNPFEDSA-N 1 0 322.493 4.064 20 30 DIEDRO C[C@]1(CCc2ccccc2)CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001459623590 1062257014 /nfs/dbraw/zinc/25/70/14/1062257014.db2.gz MCQWWUVKZABWLC-QFIPXVFZSA-N 1 0 318.464 4.446 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccccc1F)c1ccc(Cl)cc1 ZINC001474558327 1062261178 /nfs/dbraw/zinc/26/11/78/1062261178.db2.gz ZXAFXVGXALONLM-ACJLOTCBSA-N 1 0 301.792 4.374 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001474579451 1062288346 /nfs/dbraw/zinc/28/83/46/1062288346.db2.gz FWWSMMZFMPVRKM-CQSZACIVSA-N 1 0 317.354 4.408 20 30 DIEDRO C=CC[N@@H+]([C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(C)(C)C ZINC001254987149 1062293794 /nfs/dbraw/zinc/29/37/94/1062293794.db2.gz JCGFONWPQCGNCZ-OWCLPIDISA-N 1 0 322.493 4.061 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001459693212 1062309363 /nfs/dbraw/zinc/30/93/63/1062309363.db2.gz NRLMEVDLGBXHLV-NRFANRHFSA-N 1 0 306.453 4.477 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC001459703474 1062319384 /nfs/dbraw/zinc/31/93/84/1062319384.db2.gz DTECGMLEEINPRW-INIZCTEOSA-N 1 0 303.471 4.369 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255131653 1062322196 /nfs/dbraw/zinc/32/21/96/1062322196.db2.gz PESBLTIOEVNBOT-OWZKRDHZSA-N 1 0 324.443 4.469 20 30 DIEDRO C=CC[C@@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC001459706225 1062324576 /nfs/dbraw/zinc/32/45/76/1062324576.db2.gz BLRPOERMZFGOQW-OAHLLOKOSA-N 1 0 315.436 4.055 20 30 DIEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001459710963 1062326973 /nfs/dbraw/zinc/32/69/73/1062326973.db2.gz SLTCOAIWMUYVND-LPHOPBHVSA-N 1 0 300.446 4.228 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC001474619069 1062339909 /nfs/dbraw/zinc/33/99/09/1062339909.db2.gz MMZZGRLKUUSOAB-CYBMUJFWSA-N 1 0 309.837 4.145 20 30 DIEDRO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001255177444 1062351680 /nfs/dbraw/zinc/35/16/80/1062351680.db2.gz RYYDSNGFLYMWDM-JKSUJKDBSA-N 1 0 321.262 4.148 20 30 DIEDRO CC[C@H](CC#N)[N@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001255175571 1062352303 /nfs/dbraw/zinc/35/23/03/1062352303.db2.gz RBHWFZIWONYIGI-WOJBJXKFSA-N 1 0 310.441 4.276 20 30 DIEDRO CC[C@@H](CC#N)[N@H+](C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001255175568 1062352874 /nfs/dbraw/zinc/35/28/74/1062352874.db2.gz RBHWFZIWONYIGI-PMACEKPBSA-N 1 0 310.441 4.276 20 30 DIEDRO CC[C@@H](CC#N)[NH+]1CCC(Cc2cnc3ccccc3c2)CC1 ZINC001255176812 1062353547 /nfs/dbraw/zinc/35/35/47/1062353547.db2.gz GAXWWOUAESWCPI-IBGZPJMESA-N 1 0 307.441 4.182 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCOc1ccccc1C#N ZINC001459749173 1062357191 /nfs/dbraw/zinc/35/71/91/1062357191.db2.gz TZUVRFHWOYIUSW-FQEVSTJZSA-N 1 0 322.452 4.280 20 30 DIEDRO CCCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255226794 1062359132 /nfs/dbraw/zinc/35/91/32/1062359132.db2.gz UAVTWMVAJMONOM-BJWYYQGGSA-N 1 0 324.509 4.477 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC001459748819 1062360185 /nfs/dbraw/zinc/36/01/85/1062360185.db2.gz MUSMPDBMACIBTN-GOSISDBHSA-N 1 0 311.429 4.188 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC001459752366 1062360843 /nfs/dbraw/zinc/36/08/43/1062360843.db2.gz GVTQLRAOBWJCKV-IRXDYDNUSA-N 1 0 300.446 4.261 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC001459752363 1062362141 /nfs/dbraw/zinc/36/21/41/1062362141.db2.gz GVTQLRAOBWJCKV-IAGOWNOFSA-N 1 0 300.446 4.261 20 30 DIEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459760470 1062369926 /nfs/dbraw/zinc/36/99/26/1062369926.db2.gz MSZVOUVZNZBLHA-GXTWGEPZSA-N 1 0 312.240 4.248 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)C1CCC(C(=O)OCC)CC1 ZINC001255265255 1062373273 /nfs/dbraw/zinc/37/32/73/1062373273.db2.gz ODAVZEUUJAJRNG-UHFFFAOYSA-N 1 0 315.457 4.187 20 30 DIEDRO N#Cc1ccc(CC[N@@H+](Cc2ccccc2F)C2CCC2)cc1 ZINC001459765223 1062375243 /nfs/dbraw/zinc/37/52/43/1062375243.db2.gz XRRKBPFKZAWGDG-UHFFFAOYSA-N 1 0 308.400 4.295 20 30 DIEDRO CCSc1cccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC001474654844 1062387237 /nfs/dbraw/zinc/38/72/37/1062387237.db2.gz OXRVSBHROCUZPX-UHFFFAOYSA-N 1 0 322.477 4.423 20 30 DIEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H](C)CCCC)C2)CC1 ZINC001255323229 1062397775 /nfs/dbraw/zinc/39/77/75/1062397775.db2.gz OTDNQHCTHNWDSW-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCOCC[N@H+]1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C ZINC001459788474 1062399744 /nfs/dbraw/zinc/39/97/44/1062399744.db2.gz UADWVFXZFATSKU-AVRDEDQJSA-N 1 0 321.464 4.268 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1ccsc1C(F)(F)F ZINC001474674527 1062405929 /nfs/dbraw/zinc/40/59/29/1062405929.db2.gz GRFASEQSZFIMPM-UHFFFAOYSA-N 1 0 324.371 4.313 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC001459798493 1062408302 /nfs/dbraw/zinc/40/83/02/1062408302.db2.gz SRPPWTMASDUPCV-PMACEKPBSA-N 1 0 301.474 4.191 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC001459823661 1062427526 /nfs/dbraw/zinc/42/75/26/1062427526.db2.gz CNQXFUQVJYLHJQ-QWRGUYRKSA-N 1 0 301.764 4.394 20 30 DIEDRO CCCCC[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC001459831440 1062432579 /nfs/dbraw/zinc/43/25/79/1062432579.db2.gz DSMDJDMSBPPBBE-QGZVFWFLSA-N 1 0 315.461 4.081 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001459839339 1062438351 /nfs/dbraw/zinc/43/83/51/1062438351.db2.gz HDSCCBZQVLRIRN-HOTGVXAUSA-N 1 0 303.446 4.183 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](OC(C)C)c1ccccc1 ZINC001459838386 1062438486 /nfs/dbraw/zinc/43/84/86/1062438486.db2.gz UBUXDHBSHYTTQE-HXUWFJFHSA-N 1 0 313.441 4.476 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(Cl)cc1OC ZINC001459839971 1062441650 /nfs/dbraw/zinc/44/16/50/1062441650.db2.gz XGQMUJVXKVPQRC-UHFFFAOYSA-N 1 0 305.805 4.172 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccccc1 ZINC001459853247 1062449330 /nfs/dbraw/zinc/44/93/30/1062449330.db2.gz QXBPBZSYJKLTFN-FQEVSTJZSA-N 1 0 307.437 4.461 20 30 DIEDRO C#Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001474743388 1062460303 /nfs/dbraw/zinc/46/03/03/1062460303.db2.gz KOLPBNNQDCEHER-UWJYYQICSA-N 1 0 304.437 4.133 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC001459867780 1062460668 /nfs/dbraw/zinc/46/06/68/1062460668.db2.gz MLFURTOKOWZQNX-MRXNPFEDSA-N 1 0 302.462 4.434 20 30 DIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC001459872855 1062463477 /nfs/dbraw/zinc/46/34/77/1062463477.db2.gz HZBHFCPFMBBEPY-SJORKVTESA-N 1 0 322.452 4.438 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC001459891046 1062474781 /nfs/dbraw/zinc/47/47/81/1062474781.db2.gz BDJJIKCFZZZEIO-LJQANCHMSA-N 1 0 323.484 4.393 20 30 DIEDRO CC(C)(C)C[NH+](CCOc1ccccc1C#N)CC(C)(C)C ZINC001459891527 1062475989 /nfs/dbraw/zinc/47/59/89/1062475989.db2.gz NPIDEQZBJDATHA-UHFFFAOYSA-N 1 0 302.462 4.331 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC001459891043 1062476300 /nfs/dbraw/zinc/47/63/00/1062476300.db2.gz BDJJIKCFZZZEIO-IBGZPJMESA-N 1 0 323.484 4.393 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(c2ncccc2F)CC1 ZINC001459891818 1062476945 /nfs/dbraw/zinc/47/69/45/1062476945.db2.gz GWZRMFVOKSXJSA-UHFFFAOYSA-N 1 0 307.457 4.093 20 30 DIEDRO COC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001255582535 1062484959 /nfs/dbraw/zinc/48/49/59/1062484959.db2.gz WRJXAEBRPQLITD-IAGOWNOFSA-N 1 0 308.425 4.156 20 30 DIEDRO COC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001255582536 1062486773 /nfs/dbraw/zinc/48/67/73/1062486773.db2.gz WRJXAEBRPQLITD-IRXDYDNUSA-N 1 0 308.425 4.156 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC001459913998 1062492821 /nfs/dbraw/zinc/49/28/21/1062492821.db2.gz XWKNYRPUZTUHQQ-INIZCTEOSA-N 1 0 307.412 4.407 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]CCc1cc(C(F)(F)F)ccc1F ZINC001255640940 1062494536 /nfs/dbraw/zinc/49/45/36/1062494536.db2.gz FYKLFNCEKYWNAS-QMMMGPOBSA-N 1 0 317.248 4.318 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC001459929574 1062501280 /nfs/dbraw/zinc/50/12/80/1062501280.db2.gz FBBQGPIBEOITOK-DZGCQCFKSA-N 1 0 310.363 4.338 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC001459948890 1062514493 /nfs/dbraw/zinc/51/44/93/1062514493.db2.gz FZAGKZXDLFKQTN-OAHLLOKOSA-N 1 0 310.363 4.338 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1Cl ZINC001255698276 1062524442 /nfs/dbraw/zinc/52/44/42/1062524442.db2.gz AIQBAPYDYICMTF-OLZOCXBDSA-N 1 0 316.754 4.422 20 30 DIEDRO C=C(C)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001459972176 1062537684 /nfs/dbraw/zinc/53/76/84/1062537684.db2.gz KNUQSVAEUNTLSI-UHFFFAOYSA-N 1 0 313.363 4.372 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)c1ccc(F)c(F)c1 ZINC001459978281 1062541465 /nfs/dbraw/zinc/54/14/65/1062541465.db2.gz DAFCLJYKKGZLHS-WMLDXEAASA-N 1 0 309.400 4.377 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[N@H+](CCC#N)C1CCCC1 ZINC001255745313 1062570544 /nfs/dbraw/zinc/57/05/44/1062570544.db2.gz SSODVZYNDVTFOV-AWEZNQCLSA-N 1 0 306.450 4.465 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@H](O)c2ccc(Cl)cc2)CCCC1(C)C ZINC001460027904 1062583287 /nfs/dbraw/zinc/58/32/87/1062583287.db2.gz HZFPRTHTPGHHLA-IRXDYDNUSA-N 1 0 307.865 4.440 20 30 DIEDRO CCC1(CC)[C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C[C@@H]1OC ZINC001460062844 1062608319 /nfs/dbraw/zinc/60/83/19/1062608319.db2.gz GUDOIPQUUXETOB-ROUUACIJSA-N 1 0 314.473 4.171 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C[C@@H]1OC ZINC001460062834 1062608698 /nfs/dbraw/zinc/60/86/98/1062608698.db2.gz GUDOIPQUUXETOB-MSOLQXFVSA-N 1 0 314.473 4.171 20 30 DIEDRO C=CCCCC[N@H+]1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001460069923 1062615053 /nfs/dbraw/zinc/61/50/53/1062615053.db2.gz JGSMMCFQZDVTIU-MSOLQXFVSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001460086573 1062628951 /nfs/dbraw/zinc/62/89/51/1062628951.db2.gz VCIGDKWXRZIAKP-HNNXBMFYSA-N 1 0 302.245 4.363 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001255855802 1062636498 /nfs/dbraw/zinc/63/64/98/1062636498.db2.gz HGFCPDHXQZUGMM-LLVKDONJSA-N 1 0 324.321 4.181 20 30 DIEDRO C=C(C)CC[NH2+][C@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC001460104681 1062639991 /nfs/dbraw/zinc/63/99/91/1062639991.db2.gz IZVHXDJMHUXFLY-OAHLLOKOSA-N 1 0 301.352 4.339 20 30 DIEDRO C=CC[C@@H](C)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001460141463 1062658571 /nfs/dbraw/zinc/65/85/71/1062658571.db2.gz NRVQOZSZRKJERV-SNVBAGLBSA-N 1 0 304.381 4.306 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@@H](C)CC[NH+](CC)CC ZINC001255950278 1062671007 /nfs/dbraw/zinc/67/10/07/1062671007.db2.gz GSCFOTCUQNRTCF-IRXDYDNUSA-N 1 0 304.478 4.022 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOc1ccccc1C#N ZINC001460164756 1062672880 /nfs/dbraw/zinc/67/28/80/1062672880.db2.gz WZBXBVMAWDXVDV-MBOZVWFJSA-N 1 0 320.436 4.204 20 30 DIEDRO N#Cc1cccc(OCC[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001256109860 1062713507 /nfs/dbraw/zinc/71/35/07/1062713507.db2.gz QSUQVPTXHYVSPF-PMACEKPBSA-N 1 0 320.436 4.253 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001256173835 1062741220 /nfs/dbraw/zinc/74/12/20/1062741220.db2.gz UGZGWIOOEQILRB-IOASZLSFSA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[NH+]1CCC(CC#N)CC1 ZINC001256188465 1062746026 /nfs/dbraw/zinc/74/60/26/1062746026.db2.gz SMVRZTKGMDPHON-ZDUSSCGKSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC2(CCCCC2)O1 ZINC001460317550 1062775555 /nfs/dbraw/zinc/77/55/55/1062775555.db2.gz LUVRZWVNWBXPHU-QGZVFWFLSA-N 1 0 304.478 4.274 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001460347307 1062798714 /nfs/dbraw/zinc/79/87/14/1062798714.db2.gz WQSVROHURKQTCU-HOTGVXAUSA-N 1 0 312.498 4.334 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](CC)C(=O)Nc2ccc(C)cc2)C1 ZINC001460359973 1062809033 /nfs/dbraw/zinc/80/90/33/1062809033.db2.gz IPLUHODXAIKFTG-WMZOPIPTSA-N 1 0 300.446 4.000 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC001460364691 1062809508 /nfs/dbraw/zinc/80/95/08/1062809508.db2.gz RFKBSXKVCZRZLN-LBPRGKRZSA-N 1 0 312.226 4.376 20 30 DIEDRO C=CC[N@@H+](CCc1cc(Cl)cc(Cl)c1)[C@@H](C)COC ZINC001460411202 1062842521 /nfs/dbraw/zinc/84/25/21/1062842521.db2.gz ZDNADCVCPUFTBP-LBPRGKRZSA-N 1 0 302.245 4.059 20 30 DIEDRO CCCCCCCC[NH+]1CCC(O)(Cc2nc(C)cs2)CC1 ZINC001460412802 1062846695 /nfs/dbraw/zinc/84/66/95/1062846695.db2.gz WGKGTKTXOSQUAX-UHFFFAOYSA-N 1 0 324.534 4.181 20 30 DIEDRO C=CC[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)C(C)(C)C ZINC001460440578 1062858237 /nfs/dbraw/zinc/85/82/37/1062858237.db2.gz BGRQOJAMIZSHJC-MRXNPFEDSA-N 1 0 322.518 4.238 20 30 DIEDRO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C(C)(C)C ZINC001460442583 1062859919 /nfs/dbraw/zinc/85/99/19/1062859919.db2.gz DINJVBKMWGLGHB-AWEZNQCLSA-N 1 0 322.880 4.146 20 30 DIEDRO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C(C)(C)C ZINC001460442585 1062861705 /nfs/dbraw/zinc/86/17/05/1062861705.db2.gz DINJVBKMWGLGHB-CQSZACIVSA-N 1 0 322.880 4.146 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]CCCCCCS)CCN1Cc1ccccc1 ZINC001256538989 1062861725 /nfs/dbraw/zinc/86/17/25/1062861725.db2.gz UOYRYQNPKINLGE-PKOBYXMFSA-N 1 0 320.546 4.119 20 30 DIEDRO CCCCN(CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256549266 1062868138 /nfs/dbraw/zinc/86/81/38/1062868138.db2.gz GBSHVMCEVLRZKZ-AZUAARDMSA-N 1 0 313.489 4.055 20 30 DIEDRO CCCCN(CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256549269 1062870560 /nfs/dbraw/zinc/87/05/60/1062870560.db2.gz GBSHVMCEVLRZKZ-UYAOXDASSA-N 1 0 313.489 4.055 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560697 1062882735 /nfs/dbraw/zinc/88/27/35/1062882735.db2.gz SODYIGXSDYNBGN-HKUYNNGSSA-N 1 0 300.490 4.326 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256561581 1062882925 /nfs/dbraw/zinc/88/29/25/1062882925.db2.gz YUCPIHFYVIGMIR-QUCCMNQESA-N 1 0 300.490 4.328 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001460506992 1062887568 /nfs/dbraw/zinc/88/75/68/1062887568.db2.gz AYWRAOVKKXLNQO-GOSISDBHSA-N 1 0 312.457 4.359 20 30 DIEDRO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001460597000 1062925852 /nfs/dbraw/zinc/92/58/52/1062925852.db2.gz GQCCUAOVCHYTNH-IBGZPJMESA-N 1 0 308.400 4.465 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2c(cccc2OC)C1)c1cccc(C#N)c1 ZINC001256638435 1062927338 /nfs/dbraw/zinc/92/73/38/1062927338.db2.gz AXWNZOKVJKWKKV-UYAOXDASSA-N 1 0 320.436 4.165 20 30 DIEDRO CC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1OC ZINC001460661119 1062970332 /nfs/dbraw/zinc/97/03/32/1062970332.db2.gz LJZRXFYCBGTDSU-SFHVURJKSA-N 1 0 313.828 4.441 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC001256793679 1062983607 /nfs/dbraw/zinc/98/36/07/1062983607.db2.gz RFSVORQNDRUYPQ-UXHICEINSA-N 1 0 318.420 4.057 20 30 DIEDRO C#CCC1(O)CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC001460693919 1062992695 /nfs/dbraw/zinc/99/26/95/1062992695.db2.gz NGKYYEXYJCFNIB-UHFFFAOYSA-N 1 0 311.469 4.085 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@]1(CC)CCc1ccccc1 ZINC001460707729 1063002176 /nfs/dbraw/zinc/00/21/76/1063002176.db2.gz JVEQIXYVGMJTNZ-UXHICEINSA-N 1 0 301.474 4.191 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001256843028 1063012932 /nfs/dbraw/zinc/01/29/32/1063012932.db2.gz AFUQEALNKJTXOX-KGLIPLIRSA-N 1 0 321.262 4.006 20 30 DIEDRO CCCCCCCC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001471735138 1063017359 /nfs/dbraw/zinc/01/73/59/1063017359.db2.gz GTALDDGGFACGPT-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO C[N@H+](Cc1nc(C#N)cs1)C1(Cc2ccccc2)CCCC1 ZINC001460736078 1063027706 /nfs/dbraw/zinc/02/77/06/1063027706.db2.gz JAWBHOOOFVSZQT-UHFFFAOYSA-N 1 0 311.454 4.002 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC001256956567 1063057775 /nfs/dbraw/zinc/05/77/75/1063057775.db2.gz WSWXTWMRSYRKHQ-UHFFFAOYSA-N 1 0 314.376 4.470 20 30 DIEDRO COc1ccc2cccc(CC[NH2+]C3CCC(C#N)CC3)c2c1 ZINC001256959619 1063057931 /nfs/dbraw/zinc/05/79/31/1063057931.db2.gz NFFWRVBDXHHPRI-UHFFFAOYSA-N 1 0 308.425 4.063 20 30 DIEDRO N#CC1CCC([NH2+][C@H]2CC[C@H](OCc3ccccc3)CC2)CC1 ZINC001256955629 1063058095 /nfs/dbraw/zinc/05/80/95/1063058095.db2.gz XDFPBHGFKASFJL-JNXHAIIESA-N 1 0 312.457 4.186 20 30 DIEDRO COc1cccc([C@@H]([NH2+]C2CCC(C#N)CC2)c2ccccc2)c1 ZINC001256959811 1063058422 /nfs/dbraw/zinc/05/84/22/1063058422.db2.gz TZPCHDLYKCPTFG-IOYBJCICSA-N 1 0 320.436 4.457 20 30 DIEDRO N#CC1CCC([NH+]2CCC3(CCCc4ccccc43)CC2)CC1 ZINC001256963154 1063061604 /nfs/dbraw/zinc/06/16/04/1063061604.db2.gz CORWPFHCVMOXLK-UHFFFAOYSA-N 1 0 308.469 4.439 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](c2ccncc2C(F)(F)F)C2CC2)CC1 ZINC001256962284 1063062715 /nfs/dbraw/zinc/06/27/15/1063062715.db2.gz FPRPFEWMSUEQTL-IJGSQOGDSA-N 1 0 323.362 4.223 20 30 DIEDRO C=CCC1(O)CC[NH+](C[C@@H](C)CSc2ccccc2C)CC1 ZINC001460799954 1063065660 /nfs/dbraw/zinc/06/56/60/1063065660.db2.gz GOEHORDLTVTKMR-MRXNPFEDSA-N 1 0 319.514 4.126 20 30 DIEDRO CC[N@H+](Cc1cccc(Br)c1)C1CCC(C#N)CC1 ZINC001256972588 1063066257 /nfs/dbraw/zinc/06/62/57/1063066257.db2.gz DGBXZEGEJSRPCQ-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO Cc1nc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cs1 ZINC001257008315 1063075722 /nfs/dbraw/zinc/07/57/22/1063075722.db2.gz JOYUQIXTQQAORS-UHFFFAOYSA-N 1 0 311.454 4.139 20 30 DIEDRO C[C@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1ccncc1 ZINC001257007579 1063075872 /nfs/dbraw/zinc/07/58/72/1063075872.db2.gz AWRURAYEHMWHGL-VMEOHVCESA-N 1 0 305.425 4.330 20 30 DIEDRO Cc1ccncc1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257010409 1063076868 /nfs/dbraw/zinc/07/68/68/1063076868.db2.gz AHKVWADTFMXPBY-UHFFFAOYSA-N 1 0 305.425 4.078 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCc4cccnc43)CC2)cc1 ZINC001257011089 1063077663 /nfs/dbraw/zinc/07/76/63/1063077663.db2.gz TUMRBQRWFGPWFD-LYBXBRPPSA-N 1 0 317.436 4.257 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCCc3cccnc3)CC2)cc1 ZINC001257010858 1063077689 /nfs/dbraw/zinc/07/76/89/1063077689.db2.gz KTNZWYLSNCTKJJ-UHFFFAOYSA-N 1 0 319.452 4.202 20 30 DIEDRO Cc1cc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)ccn1 ZINC001257010331 1063077924 /nfs/dbraw/zinc/07/79/24/1063077924.db2.gz YOENEDCLIGXWQR-UHFFFAOYSA-N 1 0 305.425 4.078 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1cscn1 ZINC001257010638 1063078317 /nfs/dbraw/zinc/07/83/17/1063078317.db2.gz DUMFKUYPGBRRIV-NVPAJSRCSA-N 1 0 311.454 4.392 20 30 DIEDRO C[C@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)c1ccc(F)cn1 ZINC001257011609 1063078738 /nfs/dbraw/zinc/07/87/38/1063078738.db2.gz VJOOAQRSRIFJKC-STJZUHDESA-N 1 0 323.415 4.469 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3CCc4ncccc43)CC2)cc1 ZINC001257012985 1063079548 /nfs/dbraw/zinc/07/95/48/1063079548.db2.gz VGHWDMPLWCPGIH-NGICGMGXSA-N 1 0 317.436 4.257 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCCC[C@H](F)C3)CC2)cc1 ZINC001257016427 1063079575 /nfs/dbraw/zinc/07/95/75/1063079575.db2.gz DAQQOJOWZZBAHD-XBMUEBEBSA-N 1 0 300.421 4.408 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@@]4(C3)CCCCO4)CC2)cc1 ZINC001257016956 1063080400 /nfs/dbraw/zinc/08/04/00/1063080400.db2.gz LFYZZQQUZKLSGD-XVAXZDLZSA-N 1 0 324.468 4.229 20 30 DIEDRO N#Cc1csc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001257014740 1063081856 /nfs/dbraw/zinc/08/18/56/1063081856.db2.gz DXMFPYCGMLGMQN-UHFFFAOYSA-N 1 0 321.449 4.307 20 30 DIEDRO C[C@@H]1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1F ZINC001257017759 1063083129 /nfs/dbraw/zinc/08/31/29/1063083129.db2.gz ZZLWTYYGUIZIQI-YOODTLSXSA-N 1 0 300.421 4.264 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001257017712 1063083252 /nfs/dbraw/zinc/08/32/52/1063083252.db2.gz YRJUTDGMROKSQZ-KOQKOIQBSA-N 1 0 324.468 4.085 20 30 DIEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001460872161 1063111282 /nfs/dbraw/zinc/11/12/82/1063111282.db2.gz QVJSHEHFRVMDQY-LJQANCHMSA-N 1 0 310.466 4.259 20 30 DIEDRO CCC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001460896323 1063123879 /nfs/dbraw/zinc/12/38/79/1063123879.db2.gz AXJHIDRXNPVEEZ-CQSZACIVSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc(C#N)cc1Br ZINC001460898271 1063123975 /nfs/dbraw/zinc/12/39/75/1063123975.db2.gz FLEFRFDVZZVMAG-UHFFFAOYSA-N 1 0 307.235 4.109 20 30 DIEDRO C=CCCC[N@@H+](CC)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460902355 1063127218 /nfs/dbraw/zinc/12/72/18/1063127218.db2.gz ULQXABNHXDSKCW-QGZVFWFLSA-N 1 0 324.509 4.312 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1 ZINC001257204723 1063136178 /nfs/dbraw/zinc/13/61/78/1063136178.db2.gz LQZABKQXKGQJID-IRXDYDNUSA-N 1 0 324.509 4.309 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[NH2+]CC(C)(C)S)ccc2c1 ZINC001257275787 1063176135 /nfs/dbraw/zinc/17/61/35/1063176135.db2.gz WUCGNHKPSGAMON-CQSZACIVSA-N 1 0 317.498 4.468 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[NH+]3CC(CC#N)C3)ccc2c1 ZINC001257278815 1063176250 /nfs/dbraw/zinc/17/62/50/1063176250.db2.gz SHGGWOSCAKLSIY-OAHLLOKOSA-N 1 0 308.425 4.015 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[N@@H+]3CCC[C@H](C#N)C3)ccc2c1 ZINC001257280711 1063177864 /nfs/dbraw/zinc/17/78/64/1063177864.db2.gz DXHXKAWYSFXXOK-FUHWJXTLSA-N 1 0 322.452 4.405 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[NH2+]CCCS)ccc2c1 ZINC001257276226 1063178002 /nfs/dbraw/zinc/17/80/02/1063178002.db2.gz XXZPUSMTQFOMDM-CQSZACIVSA-N 1 0 303.471 4.079 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257275363 1063178139 /nfs/dbraw/zinc/17/81/39/1063178139.db2.gz RVOLFINNHDZXQJ-BEFAXECRSA-N 1 0 310.441 4.451 20 30 DIEDRO CC[N@H+](CCC#N)[C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257283559 1063179569 /nfs/dbraw/zinc/17/95/69/1063179569.db2.gz WSKPIBGBTYOYBI-MRXNPFEDSA-N 1 0 310.441 4.405 20 30 DIEDRO CCCCCCC[NH2+]C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001461014063 1063188698 /nfs/dbraw/zinc/18/86/98/1063188698.db2.gz OSEPOJPDJNUQPM-UHFFFAOYSA-N 1 0 316.489 4.160 20 30 DIEDRO N#Cc1cc(C[NH2+]CCCSc2ccc(F)cc2)cs1 ZINC001461012991 1063188755 /nfs/dbraw/zinc/18/87/55/1063188755.db2.gz FYUGWENWAJVEPN-UHFFFAOYSA-N 1 0 306.431 4.031 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)C1 ZINC001461056900 1063220380 /nfs/dbraw/zinc/22/03/80/1063220380.db2.gz OGKTXCDRQYSNCR-WIYYLYMNSA-N 1 0 312.501 4.294 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)C1 ZINC001461056898 1063220680 /nfs/dbraw/zinc/22/06/80/1063220680.db2.gz OGKTXCDRQYSNCR-RXVVDRJESA-N 1 0 312.501 4.294 20 30 DIEDRO Cc1ccccc1[C@H]([C@@H](C)Nc1cc(F)ccc1C#N)[NH+](C)C ZINC001472778107 1063228243 /nfs/dbraw/zinc/22/82/43/1063228243.db2.gz XJHLSLXLYDOWNY-KUHUBIRLSA-N 1 0 311.404 4.109 20 30 DIEDRO C[N@H+](Cc1ccccc1)C1(CNc2cc(F)ccc2C#N)CCC1 ZINC001472789026 1063237131 /nfs/dbraw/zinc/23/71/31/1063237131.db2.gz CDKYLCAIZYRLQC-UHFFFAOYSA-N 1 0 323.415 4.164 20 30 DIEDRO C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC001461095894 1063252397 /nfs/dbraw/zinc/25/23/97/1063252397.db2.gz PHMYCYNGVQYRCM-MRXNPFEDSA-N 1 0 322.452 4.413 20 30 DIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC001461098939 1063253641 /nfs/dbraw/zinc/25/36/41/1063253641.db2.gz ZFNVCSOASFMOHC-QGZVFWFLSA-N 1 0 308.425 4.041 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)c1ccc(C#N)cc1 ZINC001461110571 1063260560 /nfs/dbraw/zinc/26/05/60/1063260560.db2.gz QTUBIYIRIRTGJK-JTQLQIEISA-N 1 0 320.223 4.298 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](CC)CCCC)[C@@H]2CC ZINC001257420343 1063264480 /nfs/dbraw/zinc/26/44/80/1063264480.db2.gz LCYXATAMWFPMHW-GGPKGHCWSA-N 1 0 320.521 4.377 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H](C)CC[C@@H](C)CCC)CC2 ZINC001257477713 1063295575 /nfs/dbraw/zinc/29/55/75/1063295575.db2.gz KXIZIQDXAZVHPP-ZWKOTPCHSA-N 1 0 320.521 4.234 20 30 DIEDRO CCCCCCCCCC[C@@H](C)n1c(C)ncc(CN)c1=N ZINC001257548225 1063328503 /nfs/dbraw/zinc/32/85/03/1063328503.db2.gz UJGSPROAGSFSOH-OAHLLOKOSA-N 1 0 306.498 4.221 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH+]1CCC(C(=O)NC)CC1 ZINC001257550845 1063333978 /nfs/dbraw/zinc/33/39/78/1063333978.db2.gz WMIZSERUYNFTGL-KRWDZBQOSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001461231748 1063351609 /nfs/dbraw/zinc/35/16/09/1063351609.db2.gz MILPYXINNFJRBK-QZTJIDSGSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCCCCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001461231754 1063352563 /nfs/dbraw/zinc/35/25/63/1063352563.db2.gz MILPYXINNFJRBK-ZWKOTPCHSA-N 1 0 308.510 4.260 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC001461244647 1063360663 /nfs/dbraw/zinc/36/06/63/1063360663.db2.gz PEMUOHKMUVFCFV-UHFFFAOYSA-N 1 0 308.812 4.135 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)c(C)c1)Oc1ccccc1C ZINC001461259011 1063371908 /nfs/dbraw/zinc/37/19/08/1063371908.db2.gz WLHMLTHVMLZPLS-IBGZPJMESA-N 1 0 308.425 4.122 20 30 DIEDRO C=C(C)C[N@@H+](CC)C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257761100 1063380795 /nfs/dbraw/zinc/38/07/95/1063380795.db2.gz ABNGBTPTNXFMFZ-UHFFFAOYSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCC[N@@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC001473104301 1063401524 /nfs/dbraw/zinc/40/15/24/1063401524.db2.gz IZXNZGXMZVKIFQ-SFHVURJKSA-N 1 0 303.446 4.033 20 30 DIEDRO Cc1ccccc1OCCC[N@@H+](C)Cc1ccc(C#N)cc1C ZINC001473113643 1063416071 /nfs/dbraw/zinc/41/60/71/1063416071.db2.gz VPBDAVCKZTWGJQ-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO C=CC[N@@H+](CCc1ccc(F)c(F)c1)Cc1ccc(OC)cc1 ZINC001473115040 1063416171 /nfs/dbraw/zinc/41/61/71/1063416171.db2.gz LHNDNVSOJFJLAG-UHFFFAOYSA-N 1 0 317.379 4.204 20 30 DIEDRO COc1ccc(CCC[N@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC001473118051 1063419402 /nfs/dbraw/zinc/41/94/02/1063419402.db2.gz UQHPLLMCLVUFOR-UHFFFAOYSA-N 1 0 314.473 4.424 20 30 DIEDRO C=C1C[C@@H]2CC(n3cc(CC[NH3+])c4cc(C#N)ccc43)C[C@H](C1)C2 ZINC001257888012 1063424237 /nfs/dbraw/zinc/42/42/37/1063424237.db2.gz SPMBBMQXJMKRIE-JJTKIYQPSA-N 1 0 319.452 4.322 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](C)c3ccc(OC)c(OC)c3)C[C@H](C1)C2 ZINC001257886614 1063424726 /nfs/dbraw/zinc/42/47/26/1063424726.db2.gz KDAZAZGPTCFLTQ-LTBNCBHWSA-N 1 0 315.457 4.489 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C3(c4ccccc4)CCOCC3)C[C@H](C1)C2 ZINC001257887147 1063424756 /nfs/dbraw/zinc/42/47/56/1063424756.db2.gz VTSXPFLMDFUKAM-UFRUDQCGSA-N 1 0 311.469 4.417 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](C)c3ccc(OC)c(OC)c3)C[C@H](C1)C2 ZINC001257886615 1063425631 /nfs/dbraw/zinc/42/56/31/1063425631.db2.gz KDAZAZGPTCFLTQ-SXVFUXMRSA-N 1 0 315.457 4.489 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C3([C@@H]4CCOC(C)(C)C4)CC3)C[C@H](C1)C2 ZINC001257889892 1063427659 /nfs/dbraw/zinc/42/76/59/1063427659.db2.gz MURPEDYBZRPWOM-SOABOVLPSA-N 1 0 303.490 4.449 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](CO)c3cccc(Cl)c3)C[C@H](C1)C2 ZINC001257888183 1063427773 /nfs/dbraw/zinc/42/77/73/1063427773.db2.gz ATROALJEKSNOQX-TURZLHOUSA-N 1 0 305.849 4.098 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccc(F)c(OC)c3F)C[C@H](C1)C2 ZINC001257888659 1063428207 /nfs/dbraw/zinc/42/82/07/1063428207.db2.gz WOWLDNSPGPFZJQ-NNQSOWQGSA-N 1 0 307.384 4.198 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C3(CC4CCC4)CCOCC3)C[C@H](C1)C2 ZINC001257890599 1063428435 /nfs/dbraw/zinc/42/84/35/1063428435.db2.gz QSZUFRNXQXCUHX-DFNIBXOVSA-N 1 0 303.490 4.450 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cc(OC4CCC4)ccn3)C[C@H](C1)C2 ZINC001257890203 1063428605 /nfs/dbraw/zinc/42/86/05/1063428605.db2.gz GAPZTOAPZGVHPM-SJPCQFCGSA-N 1 0 312.457 4.237 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cccnc3C(F)(F)F)C[C@H](C1)C2 ZINC001257888493 1063428933 /nfs/dbraw/zinc/42/89/33/1063428933.db2.gz PTGXBAGAEJFNCO-NNQSOWQGSA-N 1 0 310.363 4.325 20 30 DIEDRO C=C1C[C@@H]2CC(n3cc(CC[NH3+])c4cc(O)ccc43)C[C@H](C1)C2 ZINC001257888651 1063429062 /nfs/dbraw/zinc/42/90/62/1063429062.db2.gz WEBWXZPRWAKPQH-FKEKPDDDSA-N 1 0 310.441 4.156 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](c3ccnc(F)c3)C3CC3)C[C@H](C1)C2 ZINC001257890036 1063429121 /nfs/dbraw/zinc/42/91/21/1063429121.db2.gz BZZVKWSSCIQJQT-CMBJXJQSSA-N 1 0 300.421 4.396 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCCC1(F)F ZINC001473131823 1063438740 /nfs/dbraw/zinc/43/87/40/1063438740.db2.gz NVHRVJNMRNJWOO-QGZVFWFLSA-N 1 0 304.384 4.372 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(OCCC(C)C)CC1 ZINC001473136493 1063444287 /nfs/dbraw/zinc/44/42/87/1063444287.db2.gz GEMVQGIPBBRGEI-UHFFFAOYSA-N 1 0 314.473 4.202 20 30 DIEDRO C=CCCCCC[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001473156689 1063458670 /nfs/dbraw/zinc/45/86/70/1063458670.db2.gz JJYIWUOXBJLZKJ-SFHVURJKSA-N 1 0 316.489 4.120 20 30 DIEDRO C=CC[N@@H+](CC(=O)NCCC1CCCCC1)CC1CCCCC1 ZINC001473164116 1063467238 /nfs/dbraw/zinc/46/72/38/1063467238.db2.gz SODGUQOEUQQOCG-UHFFFAOYSA-N 1 0 320.521 4.141 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001461393726 1063470672 /nfs/dbraw/zinc/47/06/72/1063470672.db2.gz YLEPRPAWQPGUBQ-CYBMUJFWSA-N 1 0 321.873 4.343 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](CC(=O)OC)c1cccc(O)c1 ZINC001258041110 1063471640 /nfs/dbraw/zinc/47/16/40/1063471640.db2.gz MPDXTYKJHKROOW-QAPCUYQASA-N 1 0 321.461 4.335 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1CCN(c2ncccn2)CC1 ZINC001258041250 1063471954 /nfs/dbraw/zinc/47/19/54/1063471954.db2.gz QLAGGPXRYOPWLS-QGZVFWFLSA-N 1 0 318.509 4.032 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1CCN(C(=O)C2CCC2)CC1 ZINC001258040411 1063472854 /nfs/dbraw/zinc/47/28/54/1063472854.db2.gz BVLBBGZPHKZSIB-QGZVFWFLSA-N 1 0 322.537 4.364 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1CCN(c2ncccn2)CC1 ZINC001258041249 1063473069 /nfs/dbraw/zinc/47/30/69/1063473069.db2.gz QLAGGPXRYOPWLS-KRWDZBQOSA-N 1 0 318.509 4.032 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](CC(=O)OCC)c1cccnc1 ZINC001258038723 1063473090 /nfs/dbraw/zinc/47/30/90/1063473090.db2.gz CNROFXHYPWSFPG-WMZOPIPTSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@H](C)NC(=[NH2+])c1cccc(C(=O)OC)c1 ZINC001258041676 1063474339 /nfs/dbraw/zinc/47/43/39/1063474339.db2.gz YSHXBZODGFPBON-AWEZNQCLSA-N 1 0 304.434 4.137 20 30 DIEDRO CCCCCCC[C@@H](C)NC(=[NH2+])c1cnc2ccc(F)cn12 ZINC001258042396 1063474858 /nfs/dbraw/zinc/47/48/58/1063474858.db2.gz ADNCFUDHEIAZHX-CYBMUJFWSA-N 1 0 304.413 4.137 20 30 DIEDRO CCCCCCC[C@@H](C)N(c1ncccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258042898 1063474872 /nfs/dbraw/zinc/47/48/72/1063474872.db2.gz CYSSPPMCIFYWMI-KZNAEPCWSA-N 1 0 318.509 4.302 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC001258041611 1063474927 /nfs/dbraw/zinc/47/49/27/1063474927.db2.gz XKFIEOXACJWFOZ-AWEZNQCLSA-N 1 0 309.450 4.248 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)C1 ZINC001461403141 1063475001 /nfs/dbraw/zinc/47/50/01/1063475001.db2.gz VHAVINYHJPHFAY-IKGGRYGDSA-N 1 0 302.437 4.129 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CCc1ccc(C(=O)N(C)C)cc1 ZINC001258042890 1063475310 /nfs/dbraw/zinc/47/53/10/1063475310.db2.gz CWBQUDQRZKUEAJ-QGZVFWFLSA-N 1 0 318.505 4.270 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](CC(=O)OC)c1cccnc1 ZINC001258041710 1063475399 /nfs/dbraw/zinc/47/53/99/1063475399.db2.gz ZKXAAUKWGWXDKV-WBVHZDCISA-N 1 0 306.450 4.024 20 30 DIEDRO CCCCCCC[C@H](C)N(c1ncccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258042897 1063475622 /nfs/dbraw/zinc/47/56/22/1063475622.db2.gz CYSSPPMCIFYWMI-BZSNNMDCSA-N 1 0 318.509 4.302 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CCc1nc2ccccc2n1C ZINC001258041862 1063475920 /nfs/dbraw/zinc/47/59/20/1063475920.db2.gz BGNIBWQIPDPXLP-INIZCTEOSA-N 1 0 301.478 4.454 20 30 DIEDRO CCCCCCC[C@H](C)NC(=[NH2+])c1cnc2ccc(F)cn12 ZINC001258042398 1063475957 /nfs/dbraw/zinc/47/59/57/1063475957.db2.gz ADNCFUDHEIAZHX-ZDUSSCGKSA-N 1 0 304.413 4.137 20 30 DIEDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1(C)C ZINC001461405299 1063476670 /nfs/dbraw/zinc/47/66/70/1063476670.db2.gz BPZLOMLVVJIWMP-QZTJIDSGSA-N 1 0 314.473 4.169 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001258043449 1063477742 /nfs/dbraw/zinc/47/77/42/1063477742.db2.gz CIKMWLRBDNAZBJ-FUHWJXTLSA-N 1 0 321.509 4.198 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(CC)C2=O)C1 ZINC001258046459 1063477776 /nfs/dbraw/zinc/47/77/76/1063477776.db2.gz BHAHLNGJJOKKMM-IEBWSBKVSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC001258043561 1063478282 /nfs/dbraw/zinc/47/82/82/1063478282.db2.gz DMPRPJDYIHWWPZ-LJQANCHMSA-N 1 0 317.521 4.338 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccc2nnc(CC)n2c1 ZINC001258044237 1063478602 /nfs/dbraw/zinc/47/86/02/1063478602.db2.gz ZMFWICZUAPKAEU-OAHLLOKOSA-N 1 0 302.466 4.130 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001258045095 1063478914 /nfs/dbraw/zinc/47/89/14/1063478914.db2.gz WJNYUNVHZGUJHQ-IAGOWNOFSA-N 1 0 321.509 4.105 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@H](C)CCCCCCC)C2)C1=O ZINC001258043684 1063479250 /nfs/dbraw/zinc/47/92/50/1063479250.db2.gz FKNYNWMXDBNHTL-UYAOXDASSA-N 1 0 320.521 4.236 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1C)[C@H]1C[C@H](OCC)C1(C)C ZINC001473176367 1063481720 /nfs/dbraw/zinc/48/17/20/1063481720.db2.gz VPKYMUKIRJBUJK-OALUTQOASA-N 1 0 314.473 4.282 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001258048946 1063482059 /nfs/dbraw/zinc/48/20/59/1063482059.db2.gz ZOYPCHBEKUFDKL-GBESFXJTSA-N 1 0 322.537 4.314 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001258049657 1063482199 /nfs/dbraw/zinc/48/21/99/1063482199.db2.gz MCEUGYYFJFCXKZ-MRXNPFEDSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001258047531 1063482443 /nfs/dbraw/zinc/48/24/43/1063482443.db2.gz LSJVJEZUGFIJCD-YSIASYRMSA-N 1 0 323.521 4.395 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001258048480 1063483232 /nfs/dbraw/zinc/48/32/32/1063483232.db2.gz VALWQDQBUZJQTM-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](C)N(c1nccc(C)n1)C1CC[NH2+]CC1 ZINC001258051590 1063486080 /nfs/dbraw/zinc/48/60/80/1063486080.db2.gz GKQUWSGKOXNZIW-QGZVFWFLSA-N 1 0 318.509 4.092 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)c2ccccc2)cc1OC ZINC001461424272 1063491040 /nfs/dbraw/zinc/49/10/40/1063491040.db2.gz MXNUIOSMYBTVHD-INIZCTEOSA-N 1 0 311.425 4.153 20 30 DIEDRO COc1cc(C[NH2+]C2(Cc3ccccc3)CCCC2)ccc1C#N ZINC001461423245 1063491122 /nfs/dbraw/zinc/49/11/22/1063491122.db2.gz JILNYFDJJACFOC-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO C=CCOC(=O)N1CCC(C[NH2+][C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258062390 1063491224 /nfs/dbraw/zinc/49/12/24/1063491224.db2.gz PSKONMOIAMWBRY-DLBZAZTESA-N 1 0 324.509 4.071 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H](C)C[C@@H](C)CC(C)C)CC2 ZINC001258066397 1063494096 /nfs/dbraw/zinc/49/40/96/1063494096.db2.gz PZZIPFLRKWVQCM-ZWKOTPCHSA-N 1 0 320.521 4.090 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)ccc1C#N ZINC001461431319 1063496090 /nfs/dbraw/zinc/49/60/90/1063496090.db2.gz BVYXAOIFAUMJRF-RXVVDRJESA-N 1 0 304.437 4.368 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC001473188241 1063498301 /nfs/dbraw/zinc/49/83/01/1063498301.db2.gz WWGQBLTZRYGKLA-VQIMIIECSA-N 1 0 324.424 4.393 20 30 DIEDRO C=C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC001258139710 1063533881 /nfs/dbraw/zinc/53/38/81/1063533881.db2.gz LDNWKCOYOMFZNZ-JOCHJYFZSA-N 1 0 320.480 4.210 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001461492931 1063537548 /nfs/dbraw/zinc/53/75/48/1063537548.db2.gz HRMRGKVMDMXPBB-AATRIKPKSA-N 1 0 322.452 4.120 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001461500408 1063541693 /nfs/dbraw/zinc/54/16/93/1063541693.db2.gz VTSANNMQXFQHEI-UHFFFAOYSA-N 1 0 315.420 4.137 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCCCc2ccc(Cl)s2)cc1 ZINC001461506495 1063543989 /nfs/dbraw/zinc/54/39/89/1063543989.db2.gz QNIUGVXABGRACE-UHFFFAOYSA-N 1 0 303.858 4.495 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC001461526906 1063559099 /nfs/dbraw/zinc/55/90/99/1063559099.db2.gz IPILQBORUIUJQP-MRXNPFEDSA-N 1 0 311.450 4.231 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC001461538382 1063566719 /nfs/dbraw/zinc/56/67/19/1063566719.db2.gz OXSYFJJBUGZBPA-HNNXBMFYSA-N 1 0 306.400 4.480 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001258227868 1063569046 /nfs/dbraw/zinc/56/90/46/1063569046.db2.gz BLBIYVFOKQSERX-HOTGVXAUSA-N 1 0 305.453 4.465 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]C1CCN(CCOC)CC1 ZINC001258230862 1063570818 /nfs/dbraw/zinc/57/08/18/1063570818.db2.gz CRZMYKHFJHWYFW-SFHVURJKSA-N 1 0 312.542 4.216 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001258232611 1063571962 /nfs/dbraw/zinc/57/19/62/1063571962.db2.gz XRMCPABQRZZUPN-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001258232379 1063572166 /nfs/dbraw/zinc/57/21/66/1063572166.db2.gz PNDGXNWBJJMBBD-GBESFXJTSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001258232188 1063572282 /nfs/dbraw/zinc/57/22/82/1063572282.db2.gz BHIHIWAJCBTRRY-MRXNPFEDSA-N 1 0 317.539 4.025 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CCCCCCC1)CCO2 ZINC001258243615 1063579139 /nfs/dbraw/zinc/57/91/39/1063579139.db2.gz VBMSBCHRRRVAES-UYAOXDASSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001461571522 1063586408 /nfs/dbraw/zinc/58/64/08/1063586408.db2.gz SGWPKZNCEVCWOX-OXQOHEQNSA-N 1 0 307.437 4.287 20 30 DIEDRO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]CC1(C#N)CCC1 ZINC001258297293 1063595678 /nfs/dbraw/zinc/59/56/78/1063595678.db2.gz HHVBOPTYAHJTFQ-AWEZNQCLSA-N 1 0 306.475 4.353 20 30 DIEDRO C[C@@H](CC(C)(C)SCc1ccco1)[NH+]1CCC(C#N)CC1 ZINC001258303778 1063600952 /nfs/dbraw/zinc/60/09/52/1063600952.db2.gz CPRGRPGZHMLUEK-AWEZNQCLSA-N 1 0 306.475 4.306 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001461597211 1063604105 /nfs/dbraw/zinc/60/41/05/1063604105.db2.gz ZLIHUDSDEGAPHI-AZUAARDMSA-N 1 0 308.400 4.215 20 30 DIEDRO CSC(C)(C)C[C@H](C)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001258317399 1063608892 /nfs/dbraw/zinc/60/88/92/1063608892.db2.gz YDVUQJXOYAMOPR-JTQLQIEISA-N 1 0 318.408 4.331 20 30 DIEDRO COc1ccccc1/C=C\C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC001461608630 1063609859 /nfs/dbraw/zinc/60/98/59/1063609859.db2.gz AHMHPDJQYOPFJX-DAXSKMNVSA-N 1 0 318.420 4.249 20 30 DIEDRO C[C@H]1Cc2cc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)ccc2O1 ZINC001461613615 1063613724 /nfs/dbraw/zinc/61/37/24/1063613724.db2.gz WDRGUVXTYMIFBC-HNNXBMFYSA-N 1 0 318.420 4.051 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+](C(CCCC)CCCC)CC2 ZINC001258385427 1063628694 /nfs/dbraw/zinc/62/86/94/1063628694.db2.gz FHLMYOXNIISDQI-UHFFFAOYSA-N 1 0 320.521 4.378 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CC2)cc1 ZINC001258392572 1063634943 /nfs/dbraw/zinc/63/49/43/1063634943.db2.gz BLJLLOPAQWVCJN-INIZCTEOSA-N 1 0 320.436 4.167 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC23CCCCC3)ccc1OC ZINC001461661570 1063642330 /nfs/dbraw/zinc/64/23/30/1063642330.db2.gz GHADTDLKILYNLU-LJQANCHMSA-N 1 0 315.457 4.463 20 30 DIEDRO COc1ccc(CC[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC001258406221 1063642607 /nfs/dbraw/zinc/64/26/07/1063642607.db2.gz PPRSRKGNZHGXHV-INIZCTEOSA-N 1 0 308.425 4.020 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)c1 ZINC001461665296 1063645635 /nfs/dbraw/zinc/64/56/35/1063645635.db2.gz CRPBUVJALSSEME-CTYIDZIISA-N 1 0 300.452 4.033 20 30 DIEDRO CC[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001461676089 1063650442 /nfs/dbraw/zinc/65/04/42/1063650442.db2.gz KEYUYFMUSQDRTJ-LPHOPBHVSA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ncc(Br)cc1F ZINC001461676492 1063650732 /nfs/dbraw/zinc/65/07/32/1063650732.db2.gz PJAPXTOOFASWOO-UHFFFAOYSA-N 1 0 315.230 4.065 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001461674308 1063650831 /nfs/dbraw/zinc/65/08/31/1063650831.db2.gz AVQXULQENXHJGT-MJGOQNOKSA-N 1 0 300.490 4.404 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001461674306 1063651275 /nfs/dbraw/zinc/65/12/75/1063651275.db2.gz AVQXULQENXHJGT-HKUYNNGSSA-N 1 0 300.490 4.404 20 30 DIEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H](CC)CCCCC)CC2 ZINC001258436810 1063653839 /nfs/dbraw/zinc/65/38/39/1063653839.db2.gz SSXOHIWDIWXGAF-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H](CC)CCCCC)CC2 ZINC001258436811 1063654523 /nfs/dbraw/zinc/65/45/23/1063654523.db2.gz SSXOHIWDIWXGAF-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC3(COC(C)(C)C3)CC2)cc1C#N ZINC001461748652 1063694108 /nfs/dbraw/zinc/69/41/08/1063694108.db2.gz KEWUSSUTRQXYEK-UHFFFAOYSA-N 1 0 312.457 4.084 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(C3CC3)c(C3CC3)c2)CCOCC1 ZINC001461767839 1063705108 /nfs/dbraw/zinc/70/51/08/1063705108.db2.gz QQCBPRSMYWPTDW-UHFFFAOYSA-N 1 0 309.453 4.104 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CCC1 ZINC001461778481 1063711286 /nfs/dbraw/zinc/71/12/86/1063711286.db2.gz RQBWXRRVMIMJTO-UHFFFAOYSA-N 1 0 306.409 4.218 20 30 DIEDRO CCC[C@H](Cc1ccccc1)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001258657594 1063728136 /nfs/dbraw/zinc/72/81/36/1063728136.db2.gz ROZJPPGLDTVYJL-OAQYLSRUSA-N 1 0 304.437 4.328 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cc(F)ccc1N(C)C ZINC001461834767 1063743334 /nfs/dbraw/zinc/74/33/34/1063743334.db2.gz KZJSAEXVQKTFRD-MJJDPTRDSA-N 1 0 303.425 4.015 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@]3(CCOC3)Oc3ccccc32)C1 ZINC001461835430 1063744035 /nfs/dbraw/zinc/74/40/35/1063744035.db2.gz HYLUEGZBOSWEAT-NDUPCHFUSA-N 1 0 313.441 4.004 20 30 DIEDRO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258709592 1063766612 /nfs/dbraw/zinc/76/66/12/1063766612.db2.gz LTMYLQVQTGWBRB-ROUUACIJSA-N 1 0 315.482 4.062 20 30 DIEDRO CC(C)[N@H+](Cc1cccn1C(F)F)Cc1ccc(C#N)cc1 ZINC001461876469 1063766980 /nfs/dbraw/zinc/76/69/80/1063766980.db2.gz VHIGLBMNODTUOC-UHFFFAOYSA-N 1 0 303.356 4.165 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001258714376 1063770471 /nfs/dbraw/zinc/77/04/71/1063770471.db2.gz MRFDAJPRTSJSKH-WOJBJXKFSA-N 1 0 324.553 4.168 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001258716657 1063772418 /nfs/dbraw/zinc/77/24/18/1063772418.db2.gz CPPNMOHWJTWXLK-YESZJQIVSA-N 1 0 324.509 4.214 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258716977 1063773094 /nfs/dbraw/zinc/77/30/94/1063773094.db2.gz IZXDUDPYLZHIND-HOTGVXAUSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001258716568 1063773381 /nfs/dbraw/zinc/77/33/81/1063773381.db2.gz BCLXWAZVWRPKOV-DOTOQJQBSA-N 1 0 318.461 4.197 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC001258719734 1063774449 /nfs/dbraw/zinc/77/44/49/1063774449.db2.gz KFFZOXYJUMRQEI-OAHLLOKOSA-N 1 0 306.881 4.249 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001258718130 1063774774 /nfs/dbraw/zinc/77/47/74/1063774774.db2.gz HPPXYCGUOHYKSP-YESZJQIVSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001258718131 1063774970 /nfs/dbraw/zinc/77/49/70/1063774970.db2.gz HPPXYCGUOHYKSP-ZACQAIPSSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cncn1Cc1ccc(Cl)cc1 ZINC001258722920 1063776574 /nfs/dbraw/zinc/77/65/74/1063776574.db2.gz PFNKLYOULHTPQW-AWEZNQCLSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2)cn1 ZINC001258723605 1063776601 /nfs/dbraw/zinc/77/66/01/1063776601.db2.gz ZXTFOVLKCZBVNO-CQSZACIVSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CCOCC1 ZINC001258723141 1063776774 /nfs/dbraw/zinc/77/67/74/1063776774.db2.gz SCVJYOYVHXZRQM-OAHLLOKOSA-N 1 0 307.865 4.376 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC001258723524 1063776817 /nfs/dbraw/zinc/77/68/17/1063776817.db2.gz XDKWBSYIRUETKZ-AWEZNQCLSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2cc(C)ccc2F)CC1 ZINC001258723066 1063777061 /nfs/dbraw/zinc/77/70/61/1063777061.db2.gz QXSRSSWHXXXUFF-INIZCTEOSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(CC(=O)OC(C)(C)C)cc1 ZINC001258721369 1063777365 /nfs/dbraw/zinc/77/73/65/1063777365.db2.gz UETAJWFWROVOHH-INIZCTEOSA-N 1 0 317.473 4.058 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC001258725371 1063778451 /nfs/dbraw/zinc/77/84/51/1063778451.db2.gz KRTFNIXMGXLJAU-QZTJIDSGSA-N 1 0 314.473 4.451 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001258724501 1063778677 /nfs/dbraw/zinc/77/86/77/1063778677.db2.gz YDDJRQJVSOYMNJ-YESZJQIVSA-N 1 0 324.509 4.262 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOc2cc(Br)ccc21 ZINC001258726198 1063778863 /nfs/dbraw/zinc/77/88/63/1063778863.db2.gz RIQQGPVEEFAQRA-SMDDNHRTSA-N 1 0 310.235 4.217 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](c1nc2ccccc2n1C)c1ccncc1 ZINC001258725059 1063778939 /nfs/dbraw/zinc/77/89/39/1063778939.db2.gz FKZGIRFTDFEPGT-KXBFYZLASA-N 1 0 320.440 4.002 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001258726297 1063779005 /nfs/dbraw/zinc/77/90/05/1063779005.db2.gz QRGXWMKMYFMPNP-APWZRJJASA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001258726304 1063779330 /nfs/dbraw/zinc/77/93/30/1063779330.db2.gz QRGXWMKMYFMPNP-VQIMIIECSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCc1c(-c2ccccc2)nc2ccccn21 ZINC001258726643 1063779489 /nfs/dbraw/zinc/77/94/89/1063779489.db2.gz XHHJCIALLWWTDX-QGZVFWFLSA-N 1 0 319.452 4.488 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC001258725376 1063779668 /nfs/dbraw/zinc/77/96/68/1063779668.db2.gz KRTFNIXMGXLJAU-ZWKOTPCHSA-N 1 0 314.473 4.451 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001258726300 1063779746 /nfs/dbraw/zinc/77/97/46/1063779746.db2.gz QRGXWMKMYFMPNP-LPHOPBHVSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1csc(-c2cccc(OC)c2)n1 ZINC001258725263 1063779885 /nfs/dbraw/zinc/77/98/85/1063779885.db2.gz IKPVCBHYPLYNKL-CYBMUJFWSA-N 1 0 302.443 4.263 20 30 DIEDRO C=CCC[C@@H](C)[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001258732255 1063780463 /nfs/dbraw/zinc/78/04/63/1063780463.db2.gz KKQAVZQEIWSBPR-GFCCVEGCSA-N 1 0 302.245 4.142 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001258729447 1063781187 /nfs/dbraw/zinc/78/11/87/1063781187.db2.gz VGFQNSHTNOGBGQ-RLLQIKCJSA-N 1 0 314.473 4.055 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H]2C[C@H](c3nc(C)c(C)s3)O[C@@H]2C1 ZINC001258728109 1063781479 /nfs/dbraw/zinc/78/14/79/1063781479.db2.gz LIKCCXKOOPCOSM-KKBVYLPWSA-N 1 0 320.502 4.267 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001258727524 1063781549 /nfs/dbraw/zinc/78/15/49/1063781549.db2.gz IBOKQUHNEYZXRN-MRXNPFEDSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H](C)[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001258732256 1063781630 /nfs/dbraw/zinc/78/16/30/1063781630.db2.gz KKQAVZQEIWSBPR-LBPRGKRZSA-N 1 0 302.245 4.142 20 30 DIEDRO C=CCC[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001258731239 1063781841 /nfs/dbraw/zinc/78/18/41/1063781841.db2.gz BTYZXHWQOICAAS-UHOSZYNNSA-N 1 0 315.457 4.152 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001258731014 1063782525 /nfs/dbraw/zinc/78/25/25/1063782525.db2.gz TYJUCBABCSSTCW-YLJYHZDGSA-N 1 0 316.464 4.221 20 30 DIEDRO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2 ZINC001258731998 1063782619 /nfs/dbraw/zinc/78/26/19/1063782619.db2.gz HDNQAXHEWOSPMP-NRSFXHEJSA-N 1 0 316.493 4.233 20 30 DIEDRO C#CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1ccc(F)cc1 ZINC001461902053 1063786275 /nfs/dbraw/zinc/78/62/75/1063786275.db2.gz QQTIVNXGWMTPDH-AATRIKPKSA-N 1 0 322.427 4.040 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1cccc(C#N)n1 ZINC001461914804 1063796440 /nfs/dbraw/zinc/79/64/40/1063796440.db2.gz QRBOGRFEBBZFJY-KGLIPLIRSA-N 1 0 313.832 4.231 20 30 DIEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@@H](CCC)CCCC)C2)CC1 ZINC001258760472 1063807830 /nfs/dbraw/zinc/80/78/30/1063807830.db2.gz PZENXSLINOHQAM-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)C1CCC(C)CC1 ZINC001461937266 1063822678 /nfs/dbraw/zinc/82/26/78/1063822678.db2.gz WRIZZZSGIXWNHR-UHFFFAOYSA-N 1 0 305.849 4.363 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C(CC(C)C)CC(C)C)C2 ZINC001258834712 1063855990 /nfs/dbraw/zinc/85/59/90/1063855990.db2.gz HSWGCAZKRWSPLG-VQTJNVASSA-N 1 0 323.521 4.273 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1c(O)cc(C)cc1Cl ZINC001462000507 1063872564 /nfs/dbraw/zinc/87/25/64/1063872564.db2.gz MJDVMRZKUBEKFV-UHFFFAOYSA-N 1 0 305.805 4.178 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2C)C1 ZINC001462004083 1063874353 /nfs/dbraw/zinc/87/43/53/1063874353.db2.gz WNHUZLMBOGXVBM-LJQANCHMSA-N 1 0 307.437 4.439 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cc1 ZINC001261276762 1063918775 /nfs/dbraw/zinc/91/87/75/1063918775.db2.gz SDBGVRULYNBIAR-CRAIPNDOSA-N 1 0 321.420 4.051 20 30 DIEDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001462080181 1063919119 /nfs/dbraw/zinc/91/91/19/1063919119.db2.gz GOHSFBYCNPTWOQ-MGPUTAFESA-N 1 0 320.436 4.443 20 30 DIEDRO CCCC(CCC)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001462082885 1063920761 /nfs/dbraw/zinc/92/07/61/1063920761.db2.gz IWHAMQGNEQZNDN-UHFFFAOYSA-N 1 0 310.445 4.017 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OC)c(OC2CC2)c1)c1ccccc1 ZINC001261787959 1063946623 /nfs/dbraw/zinc/94/66/23/1063946623.db2.gz HLHATIZPMCLNRU-IBGZPJMESA-N 1 0 321.420 4.091 20 30 DIEDRO CC(C)c1cc([C@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)[nH]n1 ZINC001262020997 1063952094 /nfs/dbraw/zinc/95/20/94/1063952094.db2.gz RIOVLCDIQGRCPF-INIZCTEOSA-N 1 0 316.493 4.433 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cccc(Br)c1 ZINC000602511020 1064004137 /nfs/dbraw/zinc/00/41/37/1064004137.db2.gz LAYAUBQEXGTXHF-XIKARTHZSA-N 1 0 307.235 4.182 20 30 DIEDRO C=C[C@@H](CC)CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001264490217 1064105029 /nfs/dbraw/zinc/10/50/29/1064105029.db2.gz HHFXKTUDCIFBKB-IRXDYDNUSA-N 1 0 314.473 4.459 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Br)cc1SC ZINC000390542084 1064162403 /nfs/dbraw/zinc/16/24/03/1064162403.db2.gz LSOAQSCAAHEUOY-JTQLQIEISA-N 1 0 300.265 4.225 20 30 DIEDRO C[C@H]1c2ccccc2OCCN1Cc1ccc(C#N)cc1Cl ZINC000615226261 1064247937 /nfs/dbraw/zinc/24/79/37/1064247937.db2.gz ULJDIVTZQVKLGJ-ZDUSSCGKSA-N 1 0 312.800 4.167 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000701909955 1064272568 /nfs/dbraw/zinc/27/25/68/1064272568.db2.gz FVMIHGYITMWYDA-LSDHHAIUSA-N 1 0 322.493 4.014 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000393356321 1064274178 /nfs/dbraw/zinc/27/41/78/1064274178.db2.gz VDVMKDVTUFXFRS-LBPRGKRZSA-N 1 0 316.287 4.021 20 30 DIEDRO C=CCCCCC[N@@H+]1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001279271965 1064339694 /nfs/dbraw/zinc/33/96/94/1064339694.db2.gz KGAMBKCLBDRXFF-FQEVSTJZSA-N 1 0 315.505 4.049 20 30 DIEDRO C#Cc1cccc(CN2CC3(C2)C[NH+](C[C@@H](CC)CCCC)C3)c1 ZINC001279302178 1064341210 /nfs/dbraw/zinc/34/12/10/1064341210.db2.gz YVCPGAOONZNORK-FQEVSTJZSA-N 1 0 324.512 4.002 20 30 DIEDRO C=CCCCCCCCCC[N@H+]1CCC[C@]2(CN(C)CCO2)C1 ZINC001279468454 1064350243 /nfs/dbraw/zinc/35/02/43/1064350243.db2.gz ZORUTWBIRRFVFR-FQEVSTJZSA-N 1 0 322.537 4.090 20 30 DIEDRO C=CCCCCCCCCC[N@H+]1CCC[C@@]2(CN(C)CCO2)C1 ZINC001279468455 1064350719 /nfs/dbraw/zinc/35/07/19/1064350719.db2.gz ZORUTWBIRRFVFR-HXUWFJFHSA-N 1 0 322.537 4.090 20 30 DIEDRO C=CCCCC[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N(CC)C(C)C)C1 ZINC001279720037 1064363748 /nfs/dbraw/zinc/36/37/48/1064363748.db2.gz MDEDKGIOSNFAFW-QUCCMNQESA-N 1 0 320.521 4.092 20 30 DIEDRO CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1cccc(C#N)c1 ZINC001279745154 1064366358 /nfs/dbraw/zinc/36/63/58/1064366358.db2.gz AWLAENFZPUAMKW-FFZOFVMBSA-N 1 0 311.473 4.038 20 30 DIEDRO C=CCCCCCCC[NH+]1CC2(C[C@@H]2C(=O)N(CC)C(C)C)C1 ZINC001279834021 1064368136 /nfs/dbraw/zinc/36/81/36/1064368136.db2.gz CMCCFSQIQPRCPR-GOSISDBHSA-N 1 0 320.521 4.092 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N(CC)C(C)C ZINC001279870432 1064369069 /nfs/dbraw/zinc/36/90/69/1064369069.db2.gz FZLHVADJMFGZIZ-MJGOQNOKSA-N 1 0 308.510 4.068 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)N(C)C)C1 ZINC001279834051 1064369286 /nfs/dbraw/zinc/36/92/86/1064369286.db2.gz DLBAMUNNOKCCMU-UYAOXDASSA-N 1 0 320.521 4.093 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1CC)C(C)C ZINC001292958607 1064795707 /nfs/dbraw/zinc/79/57/07/1064795707.db2.gz XSWDIJVVTXAWRZ-CEXWTWQISA-N 1 0 320.521 4.018 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCc2ccccc2C1 ZINC001307428271 1065388804 /nfs/dbraw/zinc/38/88/04/1065388804.db2.gz DYRYSYHHOIBBPX-HXUWFJFHSA-N 1 0 322.427 4.467 20 30 DIEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001307434756 1065393159 /nfs/dbraw/zinc/39/31/59/1065393159.db2.gz YLTNMHSNTPHYMP-WFASDCNBSA-N 1 0 308.372 4.170 20 30 DIEDRO CC[N@@H+](CC#Cc1ccc(Cl)cc1)CCc1cccs1 ZINC001307434545 1065393313 /nfs/dbraw/zinc/39/33/13/1065393313.db2.gz XFOVSVJRGCBGPT-UHFFFAOYSA-N 1 0 303.858 4.318 20 30 DIEDRO C=CCC[C@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC001307436968 1065396306 /nfs/dbraw/zinc/39/63/06/1065396306.db2.gz PVEABGOCXGJDQP-IBGZPJMESA-N 1 0 309.453 4.346 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(C)c(C(=O)OC)c1 ZINC001307444534 1065403687 /nfs/dbraw/zinc/40/36/87/1065403687.db2.gz DTBXJGQFHILSMW-UHFFFAOYSA-N 1 0 323.436 4.012 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC001307444911 1065403881 /nfs/dbraw/zinc/40/38/81/1065403881.db2.gz NIDKHDJVJXHXJO-UHFFFAOYSA-N 1 0 310.828 4.442 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001307443068 1065404956 /nfs/dbraw/zinc/40/49/56/1065404956.db2.gz RNUODZMOSQPRNL-INIZCTEOSA-N 1 0 315.379 4.243 20 30 DIEDRO COc1ccc([C@H]2CC[N@H+](CCCCC3(C#N)CCC3)C2)cc1 ZINC001307448109 1065406655 /nfs/dbraw/zinc/40/66/55/1065406655.db2.gz MXZFMQNPRSGYRM-SFHVURJKSA-N 1 0 312.457 4.349 20 30 DIEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001307450147 1065407054 /nfs/dbraw/zinc/40/70/54/1065407054.db2.gz KVVVCLJABSQDHE-HNNXBMFYSA-N 1 0 321.262 4.331 20 30 DIEDRO C=CCCCC[N@@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307460146 1065412677 /nfs/dbraw/zinc/41/26/77/1065412677.db2.gz GITXENHMEBKOKX-INIZCTEOSA-N 1 0 310.482 4.064 20 30 DIEDRO C#CCCCCCC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001307466319 1065417779 /nfs/dbraw/zinc/41/77/79/1065417779.db2.gz NLMAAWVTLWBIQA-HXUWFJFHSA-N 1 0 317.448 4.155 20 30 DIEDRO CC[N@H+](CC1CCC(C#N)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001307469365 1065419774 /nfs/dbraw/zinc/41/97/74/1065419774.db2.gz AZZGYTAVTNVFLI-IVMQYODDSA-N 1 0 314.473 4.278 20 30 DIEDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC001307471147 1065419971 /nfs/dbraw/zinc/41/99/71/1065419971.db2.gz AWDRWECZIMKOFJ-OAHLLOKOSA-N 1 0 315.417 4.115 20 30 DIEDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2Cc2cc(C#N)ccn2)cc1 ZINC001307487414 1065432997 /nfs/dbraw/zinc/43/29/97/1065432997.db2.gz BNTOGUALFYLBGR-JXFKEZNVSA-N 1 0 305.425 4.235 20 30 DIEDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCOc2cccc(C#N)c2)o1 ZINC001307497187 1065442454 /nfs/dbraw/zinc/44/24/54/1065442454.db2.gz RANXCDQNLZIVNZ-BEFAXECRSA-N 1 0 324.424 4.312 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1C#N ZINC001307506824 1065448187 /nfs/dbraw/zinc/44/81/87/1065448187.db2.gz PZIZOFBUGULCPN-SFHVURJKSA-N 1 0 322.477 4.481 20 30 DIEDRO N#Cc1cccc(OCC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC001307537378 1065471314 /nfs/dbraw/zinc/47/13/14/1065471314.db2.gz SDKGPPOZGHVRBC-OAQYLSRUSA-N 1 0 318.420 4.089 20 30 DIEDRO CC#CCN(Cc1ccccc1Br)C1CCCC1 ZINC001307542595 1065474164 /nfs/dbraw/zinc/47/41/64/1065474164.db2.gz CAVDCABTPGUIFE-UHFFFAOYSA-N 1 0 306.247 4.217 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1(CC)CC ZINC001307552183 1065478346 /nfs/dbraw/zinc/47/83/46/1065478346.db2.gz SVDWSAGXWFLFFJ-MOPGFXCFSA-N 1 0 317.448 4.093 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1(CC)CC ZINC001307552185 1065478768 /nfs/dbraw/zinc/47/87/68/1065478768.db2.gz SVDWSAGXWFLFFJ-OALUTQOASA-N 1 0 317.448 4.093 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC(C)(C)C1 ZINC001307606758 1065512441 /nfs/dbraw/zinc/51/24/41/1065512441.db2.gz PUDDCFNJZGQNKY-LBPRGKRZSA-N 1 0 308.372 4.028 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](OC)c1ccc(Cl)cc1 ZINC001307620573 1065523198 /nfs/dbraw/zinc/52/31/98/1065523198.db2.gz IORPICSULNGKHP-GOSISDBHSA-N 1 0 319.832 4.351 20 30 DIEDRO C#CC[C@@H]([NH2+]CCSc1cccc(OC)c1)c1ccccc1 ZINC001307633084 1065530301 /nfs/dbraw/zinc/53/03/01/1065530301.db2.gz OHGPJKHIFYPVCJ-LJQANCHMSA-N 1 0 311.450 4.142 20 30 DIEDRO N#Cc1ccnc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)c1 ZINC001307635353 1065532314 /nfs/dbraw/zinc/53/23/14/1065532314.db2.gz SDSWELSQLSVYFV-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(C#N)c1F ZINC001307635595 1065532667 /nfs/dbraw/zinc/53/26/67/1065532667.db2.gz BTQSSUKFTZMLAB-GOSISDBHSA-N 1 0 314.379 4.193 20 30 DIEDRO CCCC[C@H](CC)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001307650222 1065541987 /nfs/dbraw/zinc/54/19/87/1065541987.db2.gz ULZQSJGRBMUHJO-LPHOPBHVSA-N 1 0 300.446 4.148 20 30 DIEDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[C@H]1C ZINC001307687602 1065563700 /nfs/dbraw/zinc/56/37/00/1065563700.db2.gz FRTVLRZAXHLOIS-IIBYNOLFSA-N 1 0 320.436 4.082 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](C)[C@@H]1OC ZINC001307744042 1065600625 /nfs/dbraw/zinc/60/06/25/1065600625.db2.gz HEQPLYNLOOUJHD-OLMNPRSZSA-N 1 0 319.876 4.121 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](C)[C@H]1OC ZINC001307744044 1065600871 /nfs/dbraw/zinc/60/08/71/1065600871.db2.gz HEQPLYNLOOUJHD-ZTFGCOKTSA-N 1 0 319.876 4.121 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C12CCCC2 ZINC001307753079 1065606481 /nfs/dbraw/zinc/60/64/81/1065606481.db2.gz SXWFVRPSGSMQQT-ZWKOTPCHSA-N 1 0 317.860 4.019 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1cc(C#N)ccn1)C1CCCC1 ZINC001307755154 1065607643 /nfs/dbraw/zinc/60/76/43/1065607643.db2.gz XVZDHOOSPPUIFP-MRXNPFEDSA-N 1 0 305.425 4.459 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC001307762336 1065608872 /nfs/dbraw/zinc/60/88/72/1065608872.db2.gz JKWMGTPBCINLAN-MRXNPFEDSA-N 1 0 311.828 4.018 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC001307780683 1065617243 /nfs/dbraw/zinc/61/72/43/1065617243.db2.gz HGRBMWJUCCRIKD-QGZVFWFLSA-N 1 0 312.498 4.290 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC001307781084 1065617586 /nfs/dbraw/zinc/61/75/86/1065617586.db2.gz DJYSSIJFNLZADS-MRXNPFEDSA-N 1 0 313.363 4.256 20 30 DIEDRO Cc1cccc2c1CC(C)(C)[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC001307789622 1065620808 /nfs/dbraw/zinc/62/08/08/1065620808.db2.gz NRXGKCJNXHEWAS-UHFFFAOYSA-N 1 0 304.437 4.398 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC001307821995 1065637962 /nfs/dbraw/zinc/63/79/62/1065637962.db2.gz REWZLNMSTWNCMC-SFHVURJKSA-N 1 0 324.509 4.480 20 30 DIEDRO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001307832146 1065644267 /nfs/dbraw/zinc/64/42/67/1065644267.db2.gz ITNGLMJAPNTKHF-VQTJNVASSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC001307858601 1065655278 /nfs/dbraw/zinc/65/52/78/1065655278.db2.gz FWKFJBLJNMNGMM-ZIAGYGMSSA-N 1 0 311.347 4.057 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1c[nH]c(=O)c2ccccc12 ZINC001307861824 1065658531 /nfs/dbraw/zinc/65/85/31/1065658531.db2.gz YJQBNTNDQIIXIP-CQSZACIVSA-N 1 0 317.392 4.005 20 30 DIEDRO Fc1cccc(C2([NH2+]CC#Cc3cccc(Cl)c3)CCC2)c1 ZINC001307866905 1065660235 /nfs/dbraw/zinc/66/02/35/1065660235.db2.gz JMJZHOSPPYHNIK-UHFFFAOYSA-N 1 0 313.803 4.500 20 30 DIEDRO CCCCCCCC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001307886374 1065667314 /nfs/dbraw/zinc/66/73/14/1065667314.db2.gz DFTUIHGEDCTGBF-OALUTQOASA-N 1 0 300.490 4.415 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC001307905438 1065675647 /nfs/dbraw/zinc/67/56/47/1065675647.db2.gz ZMQIRKUKYFEOBV-FQEVSTJZSA-N 1 0 322.477 4.465 20 30 DIEDRO C=CC[N@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001307938173 1065690658 /nfs/dbraw/zinc/69/06/58/1065690658.db2.gz IQDPUSMFJPTYBG-AWEZNQCLSA-N 1 0 302.245 4.313 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C1 ZINC001307914160 1065679730 /nfs/dbraw/zinc/67/97/30/1065679730.db2.gz CBOOMIZZEKPXQJ-QGZVFWFLSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)sc1C ZINC001307925019 1065684931 /nfs/dbraw/zinc/68/49/31/1065684931.db2.gz VTWDBOZDDJFIGQ-ZFWWWQNUSA-N 1 0 307.459 4.068 20 30 DIEDRO C=C(C)C[N@H+](C)CCCCOc1ccc(Br)cc1 ZINC001307944438 1065692919 /nfs/dbraw/zinc/69/29/19/1065692919.db2.gz CLNPVECYDHKXRH-UHFFFAOYSA-N 1 0 312.251 4.116 20 30 DIEDRO N#Cc1ccccc1NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001307968808 1065705392 /nfs/dbraw/zinc/70/53/92/1065705392.db2.gz ZPPXWGPTSNQKAJ-OAQYLSRUSA-N 1 0 317.436 4.122 20 30 DIEDRO C=CCC1([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CCCCC1 ZINC001308002727 1065721230 /nfs/dbraw/zinc/72/12/30/1065721230.db2.gz KRCKZLXTHIQRCK-INIZCTEOSA-N 1 0 311.828 4.381 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001308008410 1065721892 /nfs/dbraw/zinc/72/18/92/1065721892.db2.gz NSGUQCZTZRPADZ-GOSISDBHSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C ZINC001308062759 1065746512 /nfs/dbraw/zinc/74/65/12/1065746512.db2.gz UZVSMTFOQXXGLP-LBPRGKRZSA-N 1 0 310.388 4.274 20 30 DIEDRO CCC#C[C@H](C)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC001308088699 1065758130 /nfs/dbraw/zinc/75/81/30/1065758130.db2.gz UMEZGZOLJGZGDW-AWEZNQCLSA-N 1 0 304.503 4.422 20 30 DIEDRO C#CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C(C)C ZINC001308096486 1065760455 /nfs/dbraw/zinc/76/04/55/1065760455.db2.gz LFXMDRHHHDNLAL-UHFFFAOYSA-N 1 0 316.448 4.230 20 30 DIEDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001308100089 1065763563 /nfs/dbraw/zinc/76/35/63/1065763563.db2.gz VKEFJTYNKKUTFE-LAUBAEHRSA-N 1 0 304.437 4.369 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(Br)s2)CCCCC1 ZINC001308105971 1065765863 /nfs/dbraw/zinc/76/58/63/1065765863.db2.gz UWWARVZGKVGRIQ-UHFFFAOYSA-N 1 0 312.276 4.326 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1ccc(-n2nc(C)cc2C)cc1 ZINC001308136309 1065774406 /nfs/dbraw/zinc/77/44/06/1065774406.db2.gz KRXWTKKCSOWETN-IBGZPJMESA-N 1 0 309.457 4.420 20 30 DIEDRO CCOc1ccc(CC[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC001308140759 1065776929 /nfs/dbraw/zinc/77/69/29/1065776929.db2.gz ALUVPLOSABQKCM-INIZCTEOSA-N 1 0 308.425 4.192 20 30 DIEDRO C#C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001308140154 1065777500 /nfs/dbraw/zinc/77/75/00/1065777500.db2.gz DQJJGKTUWSYSRB-QGZVFWFLSA-N 1 0 314.429 4.021 20 30 DIEDRO CCCCCCCC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC001308184358 1065795601 /nfs/dbraw/zinc/79/56/01/1065795601.db2.gz GKHXABUEIFDDDH-UHFFFAOYSA-N 1 0 310.526 4.364 20 30 DIEDRO Cc1cccc(OC[C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC001308218495 1065827300 /nfs/dbraw/zinc/82/73/00/1065827300.db2.gz BHKDEFWLOVQFIR-KRWDZBQOSA-N 1 0 322.452 4.353 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC001308232202 1065838615 /nfs/dbraw/zinc/83/86/15/1065838615.db2.gz SGBOLRFZJBDHIW-PMPSAXMXSA-N 1 0 320.427 4.126 20 30 DIEDRO C=C(C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccccc1 ZINC001308248823 1065854962 /nfs/dbraw/zinc/85/49/62/1065854962.db2.gz PEDHJJVUXGFAKE-UHFFFAOYSA-N 1 0 307.315 4.214 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001308271289 1065870216 /nfs/dbraw/zinc/87/02/16/1065870216.db2.gz MSGAPGUNXFFKGG-FPLPWBNLSA-N 1 0 322.452 4.120 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC001308276471 1065876405 /nfs/dbraw/zinc/87/64/05/1065876405.db2.gz NCGREGSRJAMKGG-MEDUHNTESA-N 1 0 320.845 4.139 20 30 DIEDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1OC ZINC001308341197 1065925854 /nfs/dbraw/zinc/92/58/54/1065925854.db2.gz GCIRUNWPPXZSCW-ROUUACIJSA-N 1 0 314.473 4.171 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(Cc3ccccc3)CCCC2)cc1 ZINC001308349871 1065930851 /nfs/dbraw/zinc/93/08/51/1065930851.db2.gz IXFAFKUOLXESEG-UHFFFAOYSA-N 1 0 304.437 4.451 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CCc4ccccc4C3)cc2)CC1 ZINC001308348849 1065931148 /nfs/dbraw/zinc/93/11/48/1065931148.db2.gz CSKSJKPNVGAYPD-SFHVURJKSA-N 1 0 316.448 4.136 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C1 ZINC001308379085 1065951889 /nfs/dbraw/zinc/95/18/89/1065951889.db2.gz SAQXJUCWBKQAQT-WMLDXEAASA-N 1 0 300.421 4.194 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(SC)CCC2)cc1Cl ZINC001308385082 1065955649 /nfs/dbraw/zinc/95/56/49/1065955649.db2.gz KIJJFFGBTQEMJU-UHFFFAOYSA-N 1 0 311.878 4.280 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC001308387591 1065956800 /nfs/dbraw/zinc/95/68/00/1065956800.db2.gz QNTJUOXKGFEKOD-VQIMIIECSA-N 1 0 313.466 4.486 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cnc(-c3ccsc3)s2)cc1 ZINC001308410239 1065969178 /nfs/dbraw/zinc/96/91/78/1065969178.db2.gz OKOCCZDTYJVFKM-UHFFFAOYSA-N 1 0 310.447 4.143 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OC)c3ccccc23)cc1 ZINC001308410042 1065969207 /nfs/dbraw/zinc/96/92/07/1065969207.db2.gz KWYSZBHAPOUVJC-UHFFFAOYSA-N 1 0 301.389 4.120 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001308430238 1065983854 /nfs/dbraw/zinc/98/38/54/1065983854.db2.gz CFCLZPHGWJOFAF-BBRMVZONSA-N 1 0 308.263 4.326 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)cc1Cl ZINC001308438913 1065988325 /nfs/dbraw/zinc/98/83/25/1065988325.db2.gz XSWWWAYDLWEBNP-UGSOOPFHSA-N 1 0 323.864 4.198 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC001308463180 1066004707 /nfs/dbraw/zinc/00/47/07/1066004707.db2.gz YZVCWFXCEDCTLF-MRXNPFEDSA-N 1 0 322.452 4.413 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC001308463831 1066004906 /nfs/dbraw/zinc/00/49/06/1066004906.db2.gz NJGNGBGNIGZSEY-FUHWJXTLSA-N 1 0 315.457 4.461 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(OCC)c1OC(F)F ZINC001308475932 1066016343 /nfs/dbraw/zinc/01/63/43/1066016343.db2.gz XZNJWFGBDKONMJ-UHFFFAOYSA-N 1 0 313.388 4.379 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001308479557 1066018776 /nfs/dbraw/zinc/01/87/76/1066018776.db2.gz LEPUJVUBTLNNEX-VQHPVUNQSA-N 1 0 322.493 4.157 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001308486458 1066022083 /nfs/dbraw/zinc/02/20/83/1066022083.db2.gz NLBGTEUZOWFKII-UHFFFAOYSA-N 1 0 302.393 4.162 20 30 DIEDRO COc1ccc(C[NH2+][C@@](C)(Cc2ccccc2)C(C)C)cc1C#N ZINC001308490886 1066024401 /nfs/dbraw/zinc/02/44/01/1066024401.db2.gz GMJDBZZMQOGETK-NRFANRHFSA-N 1 0 322.452 4.314 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001308494882 1066026586 /nfs/dbraw/zinc/02/65/86/1066026586.db2.gz VFZJUHAWNVRWJA-HLAWJBBLSA-N 1 0 312.501 4.376 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(OC)c(OCCC(C)C)c2)CCCC1 ZINC001308500038 1066029535 /nfs/dbraw/zinc/02/95/35/1066029535.db2.gz HDGQPJFQGFQDBZ-UHFFFAOYSA-N 1 0 315.457 4.156 20 30 DIEDRO COc1ccc(C[NH2+][C@]2(C)C[C@H](C)CC(C)(C)C2)cc1C#N ZINC001308509338 1066036281 /nfs/dbraw/zinc/03/62/81/1066036281.db2.gz MOGKYZCDYFZPKR-AUUYWEPGSA-N 1 0 300.446 4.261 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]C/C(C)=C\c2ccccc2OC(F)F)CC1 ZINC001308510810 1066037084 /nfs/dbraw/zinc/03/70/84/1066037084.db2.gz XUNTWVHJOYDLLZ-LPIRVVFTSA-N 1 0 319.395 4.473 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC001308510815 1066037280 /nfs/dbraw/zinc/03/72/80/1066037280.db2.gz XWQQAYFVNYCIRZ-JOCQHMNTSA-N 1 0 302.468 4.153 20 30 DIEDRO COc1ccc2ccccc2c1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001308517352 1066040809 /nfs/dbraw/zinc/04/08/09/1066040809.db2.gz CLOJQCKQMJPXEV-UHFFFAOYSA-N 1 0 322.452 4.453 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CCC1 ZINC001308529645 1066047946 /nfs/dbraw/zinc/04/79/46/1066047946.db2.gz JDBWMOWDSWPDNY-UHFFFAOYSA-N 1 0 315.420 4.061 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001308529891 1066048510 /nfs/dbraw/zinc/04/85/10/1066048510.db2.gz PXDCPSDQODFUOU-UHFFFAOYSA-N 1 0 303.409 4.150 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)COCC2CCCCC2)c1 ZINC001308530622 1066049804 /nfs/dbraw/zinc/04/98/04/1066049804.db2.gz XLXAYKSOEXVWJX-QGZVFWFLSA-N 1 0 317.473 4.326 20 30 DIEDRO COc1cc(C[NH2+]C(C2CCCC2)C2CCCC2)ccc1C#N ZINC001308530675 1066050454 /nfs/dbraw/zinc/05/04/54/1066050454.db2.gz SJFWWBONRCBJIK-UHFFFAOYSA-N 1 0 312.457 4.405 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+]C3(C4CCCCC4)CC3)CC2)cc1 ZINC001308545375 1066058917 /nfs/dbraw/zinc/05/89/17/1066058917.db2.gz BGTCZCVIABLRLF-UHFFFAOYSA-N 1 0 323.484 4.230 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC001308562905 1066072394 /nfs/dbraw/zinc/07/23/94/1066072394.db2.gz RKWQAWSKIWKSBM-GOSISDBHSA-N 1 0 322.427 4.461 20 30 DIEDRO C[C@@H]1SCC[N@H+](CC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001308574808 1066089393 /nfs/dbraw/zinc/08/93/93/1066089393.db2.gz VPRVNSCWGFPXJU-PXNSSMCTSA-N 1 0 307.462 4.217 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)CC1(OC)CCCCC1 ZINC001308578669 1066093894 /nfs/dbraw/zinc/09/38/94/1066093894.db2.gz RHSDIXFUHOALHJ-UHFFFAOYSA-N 1 0 303.446 4.033 20 30 DIEDRO CC[N@H+](C[C@@H]1C[C@]1(C)Br)[C@H](C)c1ccc(C#N)cc1 ZINC001308618520 1066120343 /nfs/dbraw/zinc/12/03/43/1066120343.db2.gz GVIAZGJOOHCFOP-KCXAZCMYSA-N 1 0 321.262 4.115 20 30 DIEDRO C=CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)C ZINC001308584051 1066099506 /nfs/dbraw/zinc/09/95/06/1066099506.db2.gz FNNBCABLMCXOMC-UHFFFAOYSA-N 1 0 300.368 4.168 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC001308601059 1066111024 /nfs/dbraw/zinc/11/10/24/1066111024.db2.gz FGYYQWAAMNNGQR-UHFFFAOYSA-N 1 0 305.396 4.486 20 30 DIEDRO COc1cc(C)ccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001308608136 1066115060 /nfs/dbraw/zinc/11/50/60/1066115060.db2.gz RQXMHUSIPMFFHZ-UHFFFAOYSA-N 1 0 318.420 4.165 20 30 DIEDRO CC(C)Cn1nccc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001308609483 1066116036 /nfs/dbraw/zinc/11/60/36/1066116036.db2.gz PUFYHTJVXWWYEV-UHFFFAOYSA-N 1 0 324.472 4.069 20 30 DIEDRO CC[N@H+](Cc1ccc(C)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC001308619470 1066121694 /nfs/dbraw/zinc/12/16/94/1066121694.db2.gz NPEGQFANRYGSFO-INIZCTEOSA-N 1 0 308.425 4.458 20 30 DIEDRO C#CC[N@@H+](CC)Cc1ccccc1Sc1cccc(OC)c1 ZINC001308632409 1066128110 /nfs/dbraw/zinc/12/81/10/1066128110.db2.gz ZGCQZZHLWBPKKB-UHFFFAOYSA-N 1 0 311.450 4.302 20 30 DIEDRO C#CC[N@@H+](C/C=C/c1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001308635980 1066130558 /nfs/dbraw/zinc/13/05/58/1066130558.db2.gz ZZIGEECHWSWQDX-YAQIIAKESA-N 1 0 305.396 4.462 20 30 DIEDRO Cc1cc(C[N@H+](C)CCOc2cccc(Cl)c2)ccc1C#N ZINC001308652811 1066137745 /nfs/dbraw/zinc/13/77/45/1066137745.db2.gz FWODJEDPFVWBST-UHFFFAOYSA-N 1 0 314.816 4.031 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cnc(CCc2ccccc2)s1 ZINC001308652809 1066138265 /nfs/dbraw/zinc/13/82/65/1066138265.db2.gz FROQESVDYVORKP-UHFFFAOYSA-N 1 0 300.471 4.326 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC001308659576 1066142536 /nfs/dbraw/zinc/14/25/36/1066142536.db2.gz YYEGBXKOVZGMBQ-FQEVSTJZSA-N 1 0 304.437 4.382 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001308666402 1066144517 /nfs/dbraw/zinc/14/45/17/1066144517.db2.gz OEYBLPAQLVLJOJ-DZGCQCFKSA-N 1 0 310.363 4.435 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCC1 ZINC001308686148 1066154829 /nfs/dbraw/zinc/15/48/29/1066154829.db2.gz YSSVGUCCYGSZAO-LJQANCHMSA-N 1 0 322.456 4.017 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC001308692854 1066183625 /nfs/dbraw/zinc/18/36/25/1066183625.db2.gz PEDSAFKILYOMEN-FUHWJXTLSA-N 1 0 306.494 4.035 20 30 DIEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC001308728748 1066205361 /nfs/dbraw/zinc/20/53/61/1066205361.db2.gz SVRIVQARRVYCGH-NVXWUHKLSA-N 1 0 302.849 4.335 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1F ZINC001308737661 1066211598 /nfs/dbraw/zinc/21/15/98/1066211598.db2.gz KSKGNQNDHNRQHA-CRAIPNDOSA-N 1 0 312.363 4.262 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001308737689 1066212937 /nfs/dbraw/zinc/21/29/37/1066212937.db2.gz LIGXUTRCPOTGHV-CYBMUJFWSA-N 1 0 316.367 4.247 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001308751711 1066225310 /nfs/dbraw/zinc/22/53/10/1066225310.db2.gz WNAUMWVICLWAAT-WCXIOVBPSA-N 1 0 324.509 4.355 20 30 DIEDRO CC(C)CCCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001308752251 1066225987 /nfs/dbraw/zinc/22/59/87/1066225987.db2.gz PZTWVUJBVQFIEP-UHFFFAOYSA-N 1 0 318.436 4.367 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](O)c1cc(Cl)ccc1OC ZINC001308764754 1066237181 /nfs/dbraw/zinc/23/71/81/1066237181.db2.gz DKSSBUTXRLHNTR-GDBMZVCRSA-N 1 0 311.853 4.107 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC001308769391 1066243288 /nfs/dbraw/zinc/24/32/88/1066243288.db2.gz HBRDBUKZGPFCNB-BSDSXHPESA-N 1 0 319.493 4.105 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001308775342 1066248535 /nfs/dbraw/zinc/24/85/35/1066248535.db2.gz AUFOQVKVEUPPFY-IBGZPJMESA-N 1 0 319.452 4.004 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC001308778378 1066250676 /nfs/dbraw/zinc/25/06/76/1066250676.db2.gz HDLBYKRCOLDKIO-DLBZAZTESA-N 1 0 304.453 4.377 20 30 DIEDRO C#C[C@@H]([NH2+]CCCCCOc1ccccc1)c1ccc(F)cc1 ZINC001308787936 1066262269 /nfs/dbraw/zinc/26/22/69/1066262269.db2.gz ZNODDQHAWJRSDZ-HXUWFJFHSA-N 1 0 311.400 4.339 20 30 DIEDRO C#C[C@H]([NH2+]C1CCC2(CSC2)CC1)c1ccc(Cl)cc1 ZINC001308795681 1066271324 /nfs/dbraw/zinc/27/13/24/1066271324.db2.gz KDECXYSNRKVVES-INIZCTEOSA-N 1 0 305.874 4.280 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC001308802854 1066279806 /nfs/dbraw/zinc/27/98/06/1066279806.db2.gz NDWCODJZKKEJMM-GOSISDBHSA-N 1 0 315.844 4.117 20 30 DIEDRO CCOc1ccc(C[C@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC001308803599 1066280504 /nfs/dbraw/zinc/28/05/04/1066280504.db2.gz OUSOLYYHMSGHMR-HOTGVXAUSA-N 1 0 302.462 4.182 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCC[C@H]1c1ccccc1 ZINC001308812720 1066288553 /nfs/dbraw/zinc/28/85/53/1066288553.db2.gz IYGJAAMIKRFUNG-ICSRJNTNSA-N 1 0 308.400 4.465 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC001308837000 1066311296 /nfs/dbraw/zinc/31/12/96/1066311296.db2.gz YBBUMUZGVDYZLI-NHCUHLMSSA-N 1 0 304.437 4.487 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC001308854277 1066333704 /nfs/dbraw/zinc/33/37/04/1066333704.db2.gz DOURAAIOUHSZLH-MRXNPFEDSA-N 1 0 324.509 4.310 20 30 DIEDRO CCSc1ccccc1C[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC001308861522 1066341897 /nfs/dbraw/zinc/34/18/97/1066341897.db2.gz YOBQFXVLLGFUEV-MRXNPFEDSA-N 1 0 324.493 4.434 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC001308879609 1066359458 /nfs/dbraw/zinc/35/94/58/1066359458.db2.gz XXDVFYCYVXASEY-UONOGXRCSA-N 1 0 303.372 4.101 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC001308929313 1066404751 /nfs/dbraw/zinc/40/47/51/1066404751.db2.gz YQLWTIDDRVIJBB-UHFFFAOYSA-N 1 0 305.853 4.309 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001308932548 1066406342 /nfs/dbraw/zinc/40/63/42/1066406342.db2.gz YCSIWFJDGXOEAH-HZPDHXFCSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC001308934073 1066406919 /nfs/dbraw/zinc/40/69/19/1066406919.db2.gz UVXVTLYJAPWCTL-GOSISDBHSA-N 1 0 309.457 4.033 20 30 DIEDRO COc1ccc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC001308935899 1066407132 /nfs/dbraw/zinc/40/71/32/1066407132.db2.gz XZXBLJINPHHBIP-DOTOQJQBSA-N 1 0 308.425 4.063 20 30 DIEDRO COc1ccc2ccccc2c1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC001308935903 1066407191 /nfs/dbraw/zinc/40/71/91/1066407191.db2.gz XZXBLJINPHHBIP-RDJZCZTQSA-N 1 0 308.425 4.063 20 30 DIEDRO Cc1cc2c(cc1Br)C[N@H+](C[C@@H](C)CCC#N)CC2 ZINC001308949377 1066414820 /nfs/dbraw/zinc/41/48/20/1066414820.db2.gz DWOOGBZULVKNBP-LBPRGKRZSA-N 1 0 321.262 4.056 20 30 DIEDRO C#Cc1ccc(N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001308974704 1066427750 /nfs/dbraw/zinc/42/77/50/1066427750.db2.gz SUAITTJSYCCQTM-LAUBAEHRSA-N 1 0 304.437 4.133 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001308980350 1066429476 /nfs/dbraw/zinc/42/94/76/1066429476.db2.gz XRRKVYKTPNRRTQ-HRCADAONSA-N 1 0 310.482 4.157 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001308979988 1066429609 /nfs/dbraw/zinc/42/96/09/1066429609.db2.gz TVMWUJQOTOENLC-HRCADAONSA-N 1 0 312.498 4.381 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000280922954 334967571 /nfs/dbraw/zinc/96/75/71/334967571.db2.gz UFUVZWFFBXBTFD-VIRABCJISA-N 1 0 309.500 4.244 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000281591231 334981208 /nfs/dbraw/zinc/98/12/08/334981208.db2.gz LRTBUMCJRLSWNZ-NVXWUHKLSA-N 1 0 313.445 4.004 20 30 DIEDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000091307710 193036770 /nfs/dbraw/zinc/03/67/70/193036770.db2.gz KHDPEISVDFTPRS-GJZGRUSLSA-N 1 0 318.424 4.340 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000303766366 335020713 /nfs/dbraw/zinc/02/07/13/335020713.db2.gz PTYSTRURVCBSQK-MJGOQNOKSA-N 1 0 320.436 4.124 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccco1 ZINC000285692422 335024598 /nfs/dbraw/zinc/02/45/98/335024598.db2.gz OMIKNWFCNQTVOD-GOSISDBHSA-N 1 0 324.424 4.204 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccco1 ZINC000285526594 335026795 /nfs/dbraw/zinc/02/67/95/335026795.db2.gz FFNQXKIEJBSYHT-LJQANCHMSA-N 1 0 321.424 4.322 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccco1 ZINC000285789054 335029268 /nfs/dbraw/zinc/02/92/68/335029268.db2.gz UQEAHXIEQVVTGC-LJQANCHMSA-N 1 0 321.424 4.322 20 30 DIEDRO C=CCC[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000286193293 335030422 /nfs/dbraw/zinc/03/04/22/335030422.db2.gz RJWNMFSVAMWHSD-SFHVURJKSA-N 1 0 302.462 4.284 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccco1 ZINC000285839816 335029800 /nfs/dbraw/zinc/02/98/00/335029800.db2.gz XIUYAQADLRUUGL-GOSISDBHSA-N 1 0 315.413 4.102 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccccc2OC2CCCC2)c1 ZINC000048747907 183684175 /nfs/dbraw/zinc/68/41/75/183684175.db2.gz HEGKYUGADXYZBS-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)COC3)cc1 ZINC000287534682 335044442 /nfs/dbraw/zinc/04/44/42/335044442.db2.gz PCEXUOHWGXBWPN-HNNXBMFYSA-N 1 0 309.409 4.132 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000287581131 335045016 /nfs/dbraw/zinc/04/50/16/335045016.db2.gz HJXPOAXHADYXSG-PMPSAXMXSA-N 1 0 313.363 4.393 20 30 DIEDRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(C#N)c1)CCCO2 ZINC000151383535 196673261 /nfs/dbraw/zinc/67/32/61/196673261.db2.gz OYFGNJIQLPNZDL-LJQANCHMSA-N 1 0 306.409 4.179 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)c1 ZINC000151370053 196671673 /nfs/dbraw/zinc/67/16/73/196671673.db2.gz BDEYSTQAPPLESG-KRWDZBQOSA-N 1 0 312.800 4.215 20 30 DIEDRO N#Cc1csc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)n1 ZINC000564537469 335057847 /nfs/dbraw/zinc/05/78/47/335057847.db2.gz VNZFXEKCERWZLY-KSZLIROESA-N 1 0 323.465 4.173 20 30 DIEDRO N#Cc1csc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)n1 ZINC000564537473 335058201 /nfs/dbraw/zinc/05/82/01/335058201.db2.gz VNZFXEKCERWZLY-KZNAEPCWSA-N 1 0 323.465 4.173 20 30 DIEDRO C=C(C)C[C@H](C)c1nc(Cn2c(CC)nc3ccccc32)no1 ZINC000289644876 335062359 /nfs/dbraw/zinc/06/23/59/335062359.db2.gz JRILFKAXZWJFLT-ZDUSSCGKSA-N 1 0 310.401 4.100 20 30 DIEDRO C[N@H+](Cc1ccccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273400112 130117474 /nfs/dbraw/zinc/11/74/74/130117474.db2.gz GSNRFUKNSUSZFV-VQTJNVASSA-N 1 0 324.399 4.049 20 30 DIEDRO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273400110 130117584 /nfs/dbraw/zinc/11/75/84/130117584.db2.gz GSNRFUKNSUSZFV-UXHICEINSA-N 1 0 324.399 4.049 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273557070 130136803 /nfs/dbraw/zinc/13/68/03/130136803.db2.gz WALARZKMSNELTK-PMACEKPBSA-N 1 0 324.399 4.049 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(SC)cc2)ccc1C#N ZINC000281567049 130871426 /nfs/dbraw/zinc/87/14/26/130871426.db2.gz CHYKJZIQDOMSLN-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000289237514 131367786 /nfs/dbraw/zinc/36/77/86/131367786.db2.gz MOBFTNGTULSZJY-LJQANCHMSA-N 1 0 301.393 4.207 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000289237511 131368166 /nfs/dbraw/zinc/36/81/66/131368166.db2.gz MOBFTNGTULSZJY-IBGZPJMESA-N 1 0 301.393 4.207 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)s1 ZINC000295948526 131931130 /nfs/dbraw/zinc/93/11/30/131931130.db2.gz GVESAXOXQDREIR-INIZCTEOSA-N 1 0 304.365 4.065 20 30 DIEDRO C=CCC1(C(=O)N[C@H](C)CCC[NH+](CC)CC)CCCCC1 ZINC000448758889 332764139 /nfs/dbraw/zinc/76/41/39/332764139.db2.gz LTSJXPUYRPJBHR-QGZVFWFLSA-N 1 0 308.510 4.140 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000186709089 331469070 /nfs/dbraw/zinc/46/90/70/331469070.db2.gz SMRQUKODKSGVDF-BBRMVZONSA-N 1 0 316.470 4.015 20 30 DIEDRO CC(C)COc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000179454344 331524050 /nfs/dbraw/zinc/52/40/50/331524050.db2.gz PQSSVDHRRYUZRX-INIZCTEOSA-N 1 0 308.425 4.444 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000533446303 331532115 /nfs/dbraw/zinc/53/21/15/331532115.db2.gz PAXGAWUQZRDZFG-JSGCOSHPSA-N 1 0 314.326 4.156 20 30 DIEDRO Cn1cc(C[NH2+]C2CCC(C)(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180241965 331564388 /nfs/dbraw/zinc/56/43/88/331564388.db2.gz PVFADKLHAUDGOM-UHFFFAOYSA-N 1 0 322.456 4.017 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cc3ccccc3o1)CC2 ZINC000584023231 331584877 /nfs/dbraw/zinc/58/48/77/331584877.db2.gz BVNFICXPPQAQOH-IBGZPJMESA-N 1 0 302.377 4.124 20 30 DIEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000530879670 331632251 /nfs/dbraw/zinc/63/22/51/331632251.db2.gz CJJDQRFHAWZQJL-OAHLLOKOSA-N 1 0 304.846 4.384 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000309423152 331672201 /nfs/dbraw/zinc/67/22/01/331672201.db2.gz KAKKOMGWOOOJED-SNVBAGLBSA-N 1 0 320.321 4.389 20 30 DIEDRO COc1cc(C[NH2+]Cc2csc3ccccc23)ccc1C#N ZINC000565508621 331705186 /nfs/dbraw/zinc/70/51/86/331705186.db2.gz ABSPFXKGKGLCNL-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3c(OC)cccc32)cc1 ZINC000556917034 331753635 /nfs/dbraw/zinc/75/36/35/331753635.db2.gz ZWCJGYKUYUSMBL-HXUWFJFHSA-N 1 0 323.436 4.427 20 30 DIEDRO Cn1cc([C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C(C)(C)C)cn1 ZINC000557586044 331800922 /nfs/dbraw/zinc/80/09/22/331800922.db2.gz YDBHHTHHCPXONE-SFHVURJKSA-N 1 0 324.472 4.098 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccco1 ZINC000558508976 331914846 /nfs/dbraw/zinc/91/48/46/331914846.db2.gz LBKMKQHSNKNJRU-BJLQDIEVSA-N 1 0 311.425 4.043 20 30 DIEDRO N#CCSCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000072517966 331930497 /nfs/dbraw/zinc/93/04/97/331930497.db2.gz VKQSEIJMZYZSKY-GOSISDBHSA-N 1 0 314.429 4.152 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+]([C@H]3C=CCCCCC3)CC2)cc1 ZINC000559070324 331970602 /nfs/dbraw/zinc/97/06/02/331970602.db2.gz YGZXIHGPAYIGQE-SFHVURJKSA-N 1 0 310.441 4.290 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000559149181 331982305 /nfs/dbraw/zinc/98/23/05/331982305.db2.gz GEQKBNHEFXAYAQ-XJFOESAGSA-N 1 0 310.363 4.479 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccccc1Cl ZINC000518271167 332003876 /nfs/dbraw/zinc/00/38/76/332003876.db2.gz IFMHMQAJIGARDF-UHFFFAOYSA-N 1 0 316.857 4.235 20 30 DIEDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000518279069 332006183 /nfs/dbraw/zinc/00/61/83/332006183.db2.gz VMHQQNFVNHNEIZ-HXUWFJFHSA-N 1 0 322.452 4.480 20 30 DIEDRO CC(F)(F)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000559308022 332021715 /nfs/dbraw/zinc/02/17/15/332021715.db2.gz BILGEMHHHJUMIM-UHFFFAOYSA-N 1 0 304.315 4.099 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000518398773 332025339 /nfs/dbraw/zinc/02/53/39/332025339.db2.gz ZRVZFWGZVYYXCP-AERCQKQUSA-N 1 0 318.420 4.025 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000409447343 332031940 /nfs/dbraw/zinc/03/19/40/332031940.db2.gz NEIZCKPYVFLEQL-MRXNPFEDSA-N 1 0 320.502 4.449 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1nc2c(s1)CCCC2 ZINC000409446895 332032617 /nfs/dbraw/zinc/03/26/17/332032617.db2.gz LSBLJJNVSWLABA-UHFFFAOYSA-N 1 0 305.491 4.174 20 30 DIEDRO COC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(Cl)c1 ZINC000449326917 332038694 /nfs/dbraw/zinc/03/86/94/332038694.db2.gz AEJIYRAZGLMBOE-CGZBRXJRSA-N 1 0 306.837 4.090 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC000521195810 332054862 /nfs/dbraw/zinc/05/48/62/332054862.db2.gz VHCGNGGNDOQWAR-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000538193856 332089324 /nfs/dbraw/zinc/08/93/24/332089324.db2.gz GIQSRYDVLNJRDF-LSDHHAIUSA-N 1 0 301.455 4.250 20 30 DIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000090665194 332091958 /nfs/dbraw/zinc/09/19/58/332091958.db2.gz LFTXHJZGEPWUFP-QRWLVFNGSA-N 1 0 321.424 4.341 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000090665400 332092086 /nfs/dbraw/zinc/09/20/86/332092086.db2.gz OODDZLUTQLKVMQ-CRAIPNDOSA-N 1 0 322.408 4.153 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000090665345 332092241 /nfs/dbraw/zinc/09/22/41/332092241.db2.gz RFLBZNZDXADWDL-JXFKEZNVSA-N 1 0 307.441 4.448 20 30 DIEDRO N#CCCCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000091319594 332103769 /nfs/dbraw/zinc/10/37/69/332103769.db2.gz VVIQRHCOBJKPMN-HNNXBMFYSA-N 1 0 307.235 4.184 20 30 DIEDRO C[C@@H]([N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)C1(C)CC1 ZINC000091900319 332114174 /nfs/dbraw/zinc/11/41/74/332114174.db2.gz SLEGZYOIZHGIBR-MRXNPFEDSA-N 1 0 322.456 4.084 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000092093478 332119204 /nfs/dbraw/zinc/11/92/04/332119204.db2.gz OXTQCIXSJPOHOC-UHFFFAOYSA-N 1 0 322.399 4.138 20 30 DIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000410381752 332121307 /nfs/dbraw/zinc/12/13/07/332121307.db2.gz KIDTWOKQEOGNJS-GOSISDBHSA-N 1 0 306.494 4.378 20 30 DIEDRO Cc1nc(-c2cc3c(s2)CC[N@H+](CCCCC#N)C3)cs1 ZINC000093259416 332136464 /nfs/dbraw/zinc/13/64/64/332136464.db2.gz ADVTUWOTNHPSQH-UHFFFAOYSA-N 1 0 317.483 4.232 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1ccco1 ZINC000518740771 332141011 /nfs/dbraw/zinc/14/10/11/332141011.db2.gz UXEOZBBHUJSJIR-KRWDZBQOSA-N 1 0 313.445 4.318 20 30 DIEDRO C=C(C)CN(C)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000181333922 332191928 /nfs/dbraw/zinc/19/19/28/332191928.db2.gz CDXPAIOKKRUDPR-GOSISDBHSA-N 1 0 319.408 4.334 20 30 DIEDRO C=CCCC[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000448026118 332194179 /nfs/dbraw/zinc/19/41/79/332194179.db2.gz HBQDBBOCDVJKAS-OAHLLOKOSA-N 1 0 303.450 4.177 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CCc2cccc(C#N)c2)cc1Cl ZINC000569606877 332199458 /nfs/dbraw/zinc/19/94/58/332199458.db2.gz ZMIHKGRIQXJTJK-ZDUSSCGKSA-N 1 0 314.816 4.114 20 30 DIEDRO CC[C@@H](C[NH2+]CC(C)(C)CCC#N)Oc1cccc(Cl)c1 ZINC000531009545 332208060 /nfs/dbraw/zinc/20/80/60/332208060.db2.gz JYQQHPLRWNUGJO-HNNXBMFYSA-N 1 0 308.853 4.417 20 30 DIEDRO CCc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000236923988 332248186 /nfs/dbraw/zinc/24/81/86/332248186.db2.gz ODYAKYZDXBSHFC-UHFFFAOYSA-N 1 0 314.454 4.283 20 30 DIEDRO CCOC1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCCC1 ZINC000556233737 332267237 /nfs/dbraw/zinc/26/72/37/332267237.db2.gz QGYNHEIVIOXPNN-IBGZPJMESA-N 1 0 312.457 4.265 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000426070722 335098273 /nfs/dbraw/zinc/09/82/73/335098273.db2.gz PEMUFCREPWPMHC-INIZCTEOSA-N 1 0 312.457 4.432 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000449485067 332284277 /nfs/dbraw/zinc/28/42/77/332284277.db2.gz KRJHDRVFXLTZIP-HNNXBMFYSA-N 1 0 302.462 4.329 20 30 DIEDRO N#CCSCCC[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000152500896 332303803 /nfs/dbraw/zinc/30/38/03/332303803.db2.gz KRSRERVNGYXCDE-ZWKOTPCHSA-N 1 0 300.471 4.035 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)CC3 ZINC000560116539 332312165 /nfs/dbraw/zinc/31/21/65/332312165.db2.gz KBOLDVSVAQPQPE-TZQQIIETSA-N 1 0 321.468 4.396 20 30 DIEDRO C[C@H](CCC1CCCCC1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000560254263 332323722 /nfs/dbraw/zinc/32/37/22/332323722.db2.gz YOKHQCONKMKEEI-OAHLLOKOSA-N 1 0 310.445 4.045 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccco1 ZINC000560518607 332349764 /nfs/dbraw/zinc/34/97/64/332349764.db2.gz HMUNYEKFYWNRLH-ZWKOTPCHSA-N 1 0 316.420 4.319 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccco1 ZINC000560521419 332349841 /nfs/dbraw/zinc/34/98/41/332349841.db2.gz OTSIXSOPNYPRPP-CABCVRRESA-N 1 0 304.459 4.241 20 30 DIEDRO CSCc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000560583995 332365451 /nfs/dbraw/zinc/36/54/51/332365451.db2.gz FSFZPCBOLHRVSH-CYBMUJFWSA-N 1 0 314.429 4.411 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C/C=C/c2ccccc2)cc1 ZINC000237834330 332392160 /nfs/dbraw/zinc/39/21/60/332392160.db2.gz SBGKIEHZIAFHFE-XBXARRHUSA-N 1 0 315.338 4.360 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000560902593 332393493 /nfs/dbraw/zinc/39/34/93/332393493.db2.gz XTZPNNVFRDDIRR-NSHDSACASA-N 1 0 305.365 4.155 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000561278744 332432469 /nfs/dbraw/zinc/43/24/69/332432469.db2.gz SHBOPAFVEHXRKI-KFWWJZLASA-N 1 0 301.409 4.263 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000155505964 332449072 /nfs/dbraw/zinc/44/90/72/332449072.db2.gz DJSUNIMKIJKUQM-IBGZPJMESA-N 1 0 309.409 4.255 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2cccc(F)c2F)C2CC2)cc1 ZINC000518827380 335113086 /nfs/dbraw/zinc/11/30/86/335113086.db2.gz PXBMYKBGLXVLKJ-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000159908574 332639510 /nfs/dbraw/zinc/63/95/10/332639510.db2.gz IJTPTVOSCBXKCA-HXUWFJFHSA-N 1 0 308.425 4.442 20 30 DIEDRO CC[NH+](CC)Cc1cccc(NCc2ccc(C#N)c(C)c2)c1 ZINC000443963626 332646575 /nfs/dbraw/zinc/64/65/75/332646575.db2.gz KYVIWXORPRSRST-UHFFFAOYSA-N 1 0 307.441 4.321 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)s1 ZINC000562949092 332650581 /nfs/dbraw/zinc/65/05/81/332650581.db2.gz AZIUHHXGAOWORA-INIZCTEOSA-N 1 0 302.830 4.440 20 30 DIEDRO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000569861216 332687380 /nfs/dbraw/zinc/68/73/80/332687380.db2.gz UYILDTOMKKABOY-QVKFZJNVSA-N 1 0 320.436 4.338 20 30 DIEDRO CC[C@H](C)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000572751574 332724342 /nfs/dbraw/zinc/72/43/42/332724342.db2.gz MZVYFZZRFZNSAG-VBQJREDUSA-N 1 0 303.837 4.460 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000570471121 332759411 /nfs/dbraw/zinc/75/94/11/332759411.db2.gz JYFBHIZSWUJGQV-DZGCQCFKSA-N 1 0 308.347 4.235 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]CC(C)(C)CCC#N ZINC000167327320 333017217 /nfs/dbraw/zinc/01/72/17/333017217.db2.gz FDLMLHIOUHTVMG-MRXNPFEDSA-N 1 0 300.446 4.035 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)c1 ZINC000179666322 333025871 /nfs/dbraw/zinc/02/58/71/333025871.db2.gz DIPCWTTUTGZKSA-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO CCc1oc2ccccc2c1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000171769575 333054232 /nfs/dbraw/zinc/05/42/32/333054232.db2.gz IUXHPWHLMBPWMB-UHFFFAOYSA-N 1 0 320.392 4.187 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1OCCCC#N ZINC000172173738 333059646 /nfs/dbraw/zinc/05/96/46/333059646.db2.gz CQCVJXGWOBEKRY-OAHLLOKOSA-N 1 0 316.445 4.046 20 30 DIEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174294164 333084517 /nfs/dbraw/zinc/08/45/17/333084517.db2.gz OBTARHDAQKJJEY-OAHLLOKOSA-N 1 0 315.461 4.091 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000174811349 333090944 /nfs/dbraw/zinc/09/09/44/333090944.db2.gz DQCMDRDIVOWNDE-OAHLLOKOSA-N 1 0 306.475 4.059 20 30 DIEDRO CCC[N@H+](CCCC(C)(C)C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000174837858 333091559 /nfs/dbraw/zinc/09/15/59/333091559.db2.gz GZXPEVABZWFGSB-MRXNPFEDSA-N 1 0 315.461 4.056 20 30 DIEDRO CCC[N@H+](CCCC(C)(C)C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000174837847 333091633 /nfs/dbraw/zinc/09/16/33/333091633.db2.gz GZXPEVABZWFGSB-INIZCTEOSA-N 1 0 315.461 4.056 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCC(C)(C)C#N)cc1OC ZINC000174863191 333092027 /nfs/dbraw/zinc/09/20/27/333092027.db2.gz IERGFKWSDVSZAY-MRXNPFEDSA-N 1 0 316.445 4.171 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000462754155 333109012 /nfs/dbraw/zinc/10/90/12/333109012.db2.gz HDRSOYQZUSRWCH-RBUKOAKNSA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)Cc2cccs2)c1 ZINC000462760103 333109581 /nfs/dbraw/zinc/10/95/81/333109581.db2.gz IKKLZEFVGBGXSO-HNNXBMFYSA-N 1 0 301.455 4.281 20 30 DIEDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000487389274 333131217 /nfs/dbraw/zinc/13/12/17/333131217.db2.gz GSMLJTGCENCDBC-QGZVFWFLSA-N 1 0 302.487 4.061 20 30 DIEDRO CCc1cc(CCC[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)on1 ZINC000516656792 333141508 /nfs/dbraw/zinc/14/15/08/333141508.db2.gz OSABQRUFQYSDBS-OAHLLOKOSA-N 1 0 311.429 4.124 20 30 DIEDRO COc1ccccc1CC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000092972755 333156668 /nfs/dbraw/zinc/15/66/68/333156668.db2.gz OEZQIVPBJFENSH-UHFFFAOYSA-N 1 0 314.473 4.280 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H](C)C2 ZINC000180227219 333159889 /nfs/dbraw/zinc/15/98/89/333159889.db2.gz VOINLLWWPATSRE-CKJXQJPGSA-N 1 0 320.436 4.482 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180550129 333162990 /nfs/dbraw/zinc/16/29/90/333162990.db2.gz OPPWJWIAIFUXAK-VLIAUNLRSA-N 1 0 324.399 4.141 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180551185 333163073 /nfs/dbraw/zinc/16/30/73/333163073.db2.gz XVVANPYINHEHQU-IBGZPJMESA-N 1 0 306.409 4.101 20 30 DIEDRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180556975 333163141 /nfs/dbraw/zinc/16/31/41/333163141.db2.gz RRFXPNHUARZFEM-KXBFYZLASA-N 1 0 306.409 4.236 20 30 DIEDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)s1 ZINC000180556228 333163181 /nfs/dbraw/zinc/16/31/81/333163181.db2.gz XAUPOAFKHNBQDV-ZDUSSCGKSA-N 1 0 300.427 4.064 20 30 DIEDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180555804 333163187 /nfs/dbraw/zinc/16/31/87/333163187.db2.gz BGRDLFAPXYRIJP-YWZLYKJASA-N 1 0 306.409 4.317 20 30 DIEDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181552877 333170153 /nfs/dbraw/zinc/17/01/53/333170153.db2.gz QJZJVLRBBRTDCN-GJZGRUSLSA-N 1 0 312.388 4.010 20 30 DIEDRO Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181824521 333172644 /nfs/dbraw/zinc/17/26/44/333172644.db2.gz DJLCSNKUPCESSR-IRXDYDNUSA-N 1 0 324.424 4.016 20 30 DIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181865937 333173098 /nfs/dbraw/zinc/17/30/98/333173098.db2.gz SUKMGGBQBRHKMI-WBAXXEDZSA-N 1 0 318.486 4.304 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000181976399 333174056 /nfs/dbraw/zinc/17/40/56/333174056.db2.gz QCHOZTVTFYEPLS-SFHVURJKSA-N 1 0 316.445 4.074 20 30 DIEDRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000182161668 333176460 /nfs/dbraw/zinc/17/64/60/333176460.db2.gz ZICUBORQOMLTQR-YWZLYKJASA-N 1 0 321.424 4.341 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+][C@H](CCC#N)c2ccccc2)c1O ZINC000182656381 333179514 /nfs/dbraw/zinc/17/95/14/333179514.db2.gz CHDBMGLXOQQJSH-QGZVFWFLSA-N 1 0 314.816 4.489 20 30 DIEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](C#N)CCC#N ZINC000184948967 333202932 /nfs/dbraw/zinc/20/29/32/333202932.db2.gz GKNFIHHWYSXVAJ-ROUUACIJSA-N 1 0 323.465 4.373 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2csc(-c3ccccc3)n2)C1 ZINC000185760633 333213627 /nfs/dbraw/zinc/21/36/27/333213627.db2.gz RNNMVRBSTFCHEI-GDBMZVCRSA-N 1 0 311.454 4.025 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2csc(-c3ccccc3)n2)C1 ZINC000185760598 333213656 /nfs/dbraw/zinc/21/36/56/333213656.db2.gz RNNMVRBSTFCHEI-GOEBONIOSA-N 1 0 311.454 4.025 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000185852470 333214958 /nfs/dbraw/zinc/21/49/58/333214958.db2.gz SIEZRGWLGJIYRT-TWOQFEAHSA-N 1 0 305.425 4.482 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)C1 ZINC000185882857 333215572 /nfs/dbraw/zinc/21/55/72/333215572.db2.gz FHVTWJMFYALRPX-NVXWUHKLSA-N 1 0 307.397 4.046 20 30 DIEDRO C[C@H](CC1CC1)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000497231095 333225495 /nfs/dbraw/zinc/22/54/95/333225495.db2.gz QXBQLYMQFBSZKQ-MRXNPFEDSA-N 1 0 320.436 4.415 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000497263126 333228741 /nfs/dbraw/zinc/22/87/41/333228741.db2.gz SADWPCNZZMOJOP-MEDUHNTESA-N 1 0 320.845 4.139 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000497260854 333229186 /nfs/dbraw/zinc/22/91/86/333229186.db2.gz KGNBFKSXLQJGQB-UHFFFAOYSA-N 1 0 311.425 4.379 20 30 DIEDRO N#CCCC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000563066386 333261075 /nfs/dbraw/zinc/26/10/75/333261075.db2.gz NXKNQIYKLWOKAH-UHFFFAOYSA-N 1 0 313.832 4.404 20 30 DIEDRO CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000514087969 333261929 /nfs/dbraw/zinc/26/19/29/333261929.db2.gz JOIDSSRBSGFPMG-FXAWDEMLSA-N 1 0 311.473 4.085 20 30 DIEDRO CC[N@H+](Cc1ccc(Br)cc1C#N)C1CCCC1 ZINC000310865878 333265047 /nfs/dbraw/zinc/26/50/47/333265047.db2.gz DRQFAGJSICGRSL-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO CC[N@H+](Cc1cc(C)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497613354 333269287 /nfs/dbraw/zinc/26/92/87/333269287.db2.gz XCOYNOVCCFQWOH-INIZCTEOSA-N 1 0 308.425 4.458 20 30 DIEDRO CC[N@H+](CCOc1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000497621243 333270771 /nfs/dbraw/zinc/27/07/71/333270771.db2.gz UMFMCLDDUWVBLE-OAHLLOKOSA-N 1 0 312.388 4.159 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cnn1C(C)C ZINC000191388450 333279775 /nfs/dbraw/zinc/27/97/75/333279775.db2.gz QADVJWFQJQWTLL-HNAYVOBHSA-N 1 0 310.445 4.468 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192474926 333289000 /nfs/dbraw/zinc/28/90/00/333289000.db2.gz XCVJKFPNHFLKSZ-UHFFFAOYSA-N 1 0 316.420 4.050 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193001582 333297064 /nfs/dbraw/zinc/29/70/64/333297064.db2.gz OVESALLMLMUCTI-DLTLXFJOSA-N 1 0 306.837 4.088 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)o1 ZINC000093054095 333302555 /nfs/dbraw/zinc/30/25/55/333302555.db2.gz VTJIINHLBZWSSD-UHFFFAOYSA-N 1 0 322.408 4.031 20 30 DIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463233943 333350035 /nfs/dbraw/zinc/35/00/35/333350035.db2.gz FXEWFBZXVUKPBF-LZLYRXPVSA-N 1 0 300.446 4.344 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000463280684 333369163 /nfs/dbraw/zinc/36/91/63/333369163.db2.gz ISOZOGKYPKPEQO-ZOBUZTSGSA-N 1 0 316.445 4.217 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000160958061 333369899 /nfs/dbraw/zinc/36/98/99/333369899.db2.gz QFZDTQNYANJXMW-GUYCJALGSA-N 1 0 312.438 4.206 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000160957776 333369953 /nfs/dbraw/zinc/36/99/53/333369953.db2.gz QFZDTQNYANJXMW-SUMWQHHRSA-N 1 0 312.438 4.206 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463286544 333370425 /nfs/dbraw/zinc/37/04/25/333370425.db2.gz VYGPBPZIFYYRFG-GOEBONIOSA-N 1 0 306.837 4.089 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](CC)c2cccc(Cl)c2F)CC1 ZINC000161674964 333375310 /nfs/dbraw/zinc/37/53/10/333375310.db2.gz XVZJAPGUJRREPC-MRXNPFEDSA-N 1 0 310.844 4.170 20 30 DIEDRO C=CCC1(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CCCCC1 ZINC000567838541 333379581 /nfs/dbraw/zinc/37/95/81/333379581.db2.gz ROJYKFRJXPTWFJ-UHFFFAOYSA-N 1 0 320.521 4.092 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(CC#N)cc2)ccc1C(F)(F)F ZINC000563122390 333393414 /nfs/dbraw/zinc/39/34/14/333393414.db2.gz NETKYKDQYQNFJB-UHFFFAOYSA-N 1 0 318.342 4.370 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000337372321 333447626 /nfs/dbraw/zinc/44/76/26/333447626.db2.gz PDVKAXIAVDOSBC-SMDDNHRTSA-N 1 0 310.235 4.217 20 30 DIEDRO C=C(C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000338955567 333503243 /nfs/dbraw/zinc/50/32/43/333503243.db2.gz FYDHHYWLRZOGJK-UHFFFAOYSA-N 1 0 306.409 4.172 20 30 DIEDRO Cc1ccc(C2(C[NH2+]C[C@H](C#N)CCC#N)CCCC2)c(C)c1 ZINC000563616893 333637748 /nfs/dbraw/zinc/63/77/48/333637748.db2.gz CMGPPQSCMRIKRG-SFHVURJKSA-N 1 0 309.457 4.148 20 30 DIEDRO Cc1ccc(C2(C[NH2+]C[C@@H](C#N)CCC#N)CCCC2)c(C)c1 ZINC000563616892 333637781 /nfs/dbraw/zinc/63/77/81/333637781.db2.gz CMGPPQSCMRIKRG-GOSISDBHSA-N 1 0 309.457 4.148 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H](C)CCC#N)ccc1OC1CCCC1 ZINC000411444568 333673533 /nfs/dbraw/zinc/67/35/33/333673533.db2.gz FCEOIDPDOMYPQI-CABCVRRESA-N 1 0 316.445 4.359 20 30 DIEDRO CC(C)(CO)[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccccc1 ZINC000411646834 333701254 /nfs/dbraw/zinc/70/12/54/333701254.db2.gz WLIGVJIACJNFDK-GOSISDBHSA-N 1 0 314.473 4.200 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000411717992 333703561 /nfs/dbraw/zinc/70/35/61/333703561.db2.gz JWKVDYBKKJFCLI-ABAIWWIYSA-N 1 0 312.335 4.318 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)c(OC)c1 ZINC000442823841 335156127 /nfs/dbraw/zinc/15/61/27/335156127.db2.gz RTOVXEFNCFYZQC-UHFFFAOYSA-N 1 0 320.845 4.304 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000343448303 335165496 /nfs/dbraw/zinc/16/54/96/335165496.db2.gz KILCLPBFAXFOMR-UHFFFAOYSA-N 1 0 323.440 4.080 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000268012418 333988486 /nfs/dbraw/zinc/98/84/86/333988486.db2.gz FTLNMSMOMNWCFJ-UHFFFAOYSA-N 1 0 321.877 4.412 20 30 DIEDRO CCC[C@@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000271068850 334017867 /nfs/dbraw/zinc/01/78/67/334017867.db2.gz KLBPNOIPENAEGO-MRXNPFEDSA-N 1 0 310.445 4.084 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000271517197 334024010 /nfs/dbraw/zinc/02/40/10/334024010.db2.gz UHHRIDYTIJMYGG-VQTJNVASSA-N 1 0 306.409 4.015 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCc2ccccn2)CC1 ZINC000271560218 334024332 /nfs/dbraw/zinc/02/43/32/334024332.db2.gz WQWOBRFZCRPVMR-UHFFFAOYSA-N 1 0 319.452 4.008 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C(C)C ZINC000271669073 334025398 /nfs/dbraw/zinc/02/53/98/334025398.db2.gz IBNFFGQBJXJVGI-HXUWFJFHSA-N 1 0 308.425 4.384 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000271829740 334027570 /nfs/dbraw/zinc/02/75/70/334027570.db2.gz DRKHJUUXJRVEQO-JXFKEZNVSA-N 1 0 304.393 4.004 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000271879837 334028250 /nfs/dbraw/zinc/02/82/50/334028250.db2.gz PCZUWZZXCHBYRJ-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000271993212 334029338 /nfs/dbraw/zinc/02/93/38/334029338.db2.gz FMXUSPIZQPMTGI-CVEARBPZSA-N 1 0 320.502 4.356 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271989253 334029427 /nfs/dbraw/zinc/02/94/27/334029427.db2.gz YSNSNEKJUUDLNL-LIRRHRJNSA-N 1 0 307.372 4.393 20 30 DIEDRO C[C@H]1C[C@H](Nc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000273769953 334050891 /nfs/dbraw/zinc/05/08/91/334050891.db2.gz QNNREZFMGUVOCB-LAUBAEHRSA-N 1 0 319.452 4.218 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccsc1 ZINC000437589373 334054529 /nfs/dbraw/zinc/05/45/29/334054529.db2.gz LANQZDYZGRSMJH-UHFFFAOYSA-N 1 0 315.467 4.388 20 30 DIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)CCC#N)CC3)c2c1 ZINC000276280799 334075647 /nfs/dbraw/zinc/07/56/47/334075647.db2.gz FVQGJQOSRRGVEH-AWEZNQCLSA-N 1 0 311.429 4.048 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000278181480 334093317 /nfs/dbraw/zinc/09/33/17/334093317.db2.gz QYMJHHQMGGHOML-UHFFFAOYSA-N 1 0 312.457 4.301 20 30 DIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H]4CC[C@H](C#N)C4)CC3)c2c1 ZINC000278560576 334098036 /nfs/dbraw/zinc/09/80/36/334098036.db2.gz IIRIZRJUKDLRJL-HOCLYGCPSA-N 1 0 323.440 4.048 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000278555190 334098128 /nfs/dbraw/zinc/09/81/28/334098128.db2.gz HVLWNQTVTADDNX-ZFWWWQNUSA-N 1 0 311.454 4.168 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278609663 334098759 /nfs/dbraw/zinc/09/87/59/334098759.db2.gz MMXNOWDSLWTIKA-RDJZCZTQSA-N 1 0 307.441 4.348 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2nc3cc(Cl)ccc3s2)C1 ZINC000278828795 334101955 /nfs/dbraw/zinc/10/19/55/334101955.db2.gz TUCWNSSVYBHVNM-AAEUAGOBSA-N 1 0 319.861 4.164 20 30 DIEDRO CC[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000278946738 334104009 /nfs/dbraw/zinc/10/40/09/334104009.db2.gz YNYUIGBDFPRYQJ-INIZCTEOSA-N 1 0 316.445 4.219 20 30 DIEDRO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000414820005 334107513 /nfs/dbraw/zinc/10/75/13/334107513.db2.gz BHZKXZGEQPVMFC-CYBMUJFWSA-N 1 0 322.412 4.151 20 30 DIEDRO C[C@@H](Nc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280893661 334120832 /nfs/dbraw/zinc/12/08/32/334120832.db2.gz DIMQOXOLRMRWFV-YLJYHZDGSA-N 1 0 319.452 4.075 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000280946159 334121521 /nfs/dbraw/zinc/12/15/21/334121521.db2.gz JGPLMFGIJFRBHY-VLIAUNLRSA-N 1 0 324.399 4.456 20 30 DIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000281508994 334126523 /nfs/dbraw/zinc/12/65/23/334126523.db2.gz HDERJJJYPQPLOI-MOPGFXCFSA-N 1 0 324.399 4.456 20 30 DIEDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281958305 334129914 /nfs/dbraw/zinc/12/99/14/334129914.db2.gz KEHQVIKJUQXDDZ-CQSZACIVSA-N 1 0 322.399 4.058 20 30 DIEDRO N#CC1(CCC[N@H+](Cc2ccco2)C2CCCC2)CCOCC1 ZINC000282142958 334132043 /nfs/dbraw/zinc/13/20/43/334132043.db2.gz ZQQXMWZZVSENPQ-UHFFFAOYSA-N 1 0 316.445 4.125 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(OC(F)F)c1 ZINC000282165790 334132196 /nfs/dbraw/zinc/13/21/96/334132196.db2.gz DRNLCOHDIQGAHG-HSBZDZAISA-N 1 0 308.372 4.269 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1OC(F)F ZINC000282237818 334132606 /nfs/dbraw/zinc/13/26/06/334132606.db2.gz IWWXROBAMILVSV-IYXRBSQSSA-N 1 0 308.372 4.269 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000282397259 334134122 /nfs/dbraw/zinc/13/41/22/334134122.db2.gz RKLBQOBVQPXJHZ-HTWSVDAQSA-N 1 0 310.441 4.352 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000284195958 334142785 /nfs/dbraw/zinc/14/27/85/334142785.db2.gz GHLJDTGCJMFDRU-UJKROJSLSA-N 1 0 312.457 4.107 20 30 DIEDRO Cc1cc2cc(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)ccc2[nH]1 ZINC000285584476 334148676 /nfs/dbraw/zinc/14/86/76/334148676.db2.gz HKQWOKPTRXPTJM-HNNXBMFYSA-N 1 0 319.408 4.230 20 30 DIEDRO CC1(C)C[N@H+](CCCC2(C#N)CCOCC2)[C@H]1c1cccs1 ZINC000286927149 334155123 /nfs/dbraw/zinc/15/51/23/334155123.db2.gz KWYHSPYZZCGZRK-INIZCTEOSA-N 1 0 318.486 4.232 20 30 DIEDRO Cc1ccnc(C)c1NC(=O)Nc1cccc(OCCCC#N)c1 ZINC000287494794 334157911 /nfs/dbraw/zinc/15/79/11/334157911.db2.gz LATSXHMSDXTOFC-UHFFFAOYSA-N 1 0 324.384 4.025 20 30 DIEDRO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)c1cccnc1 ZINC000290392322 334172621 /nfs/dbraw/zinc/17/26/21/334172621.db2.gz IYESRKBJYRCYIV-KRWDZBQOSA-N 1 0 322.456 4.015 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000291336522 334177775 /nfs/dbraw/zinc/17/77/75/334177775.db2.gz WBRKDRXJNACUMC-WOJBJXKFSA-N 1 0 306.409 4.404 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1 ZINC000414920997 334181616 /nfs/dbraw/zinc/18/16/16/334181616.db2.gz ZWVBAXCLFITCGL-HXUWFJFHSA-N 1 0 308.425 4.001 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827701 334193091 /nfs/dbraw/zinc/19/30/91/334193091.db2.gz ONQVFEZDTCPABT-CZUORRHYSA-N 1 0 309.388 4.088 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000340432358 334199190 /nfs/dbraw/zinc/19/91/90/334199190.db2.gz NDIFNQQORRXLEW-WOJBJXKFSA-N 1 0 320.436 4.405 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000293676715 334200663 /nfs/dbraw/zinc/20/06/63/334200663.db2.gz NAIUDUCUDMMAHW-GJZGRUSLSA-N 1 0 322.399 4.455 20 30 DIEDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340437653 334201239 /nfs/dbraw/zinc/20/12/39/334201239.db2.gz VXTMBEKJFKDZJT-DOTOQJQBSA-N 1 0 316.445 4.131 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293833580 334202658 /nfs/dbraw/zinc/20/26/58/334202658.db2.gz WOXNQESZJMTREC-OTNPHJDUSA-N 1 0 320.436 4.133 20 30 DIEDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340445947 334203376 /nfs/dbraw/zinc/20/33/76/334203376.db2.gz MJAGGWFFOIFWAW-LEWJYISDSA-N 1 0 322.452 4.269 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(CO)c1 ZINC000340445161 334203778 /nfs/dbraw/zinc/20/37/78/334203778.db2.gz LGSCEOTXCHREMV-OXQOHEQNSA-N 1 0 308.425 4.265 20 30 DIEDRO CC(C)(C)OC1CC([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000340456187 334207101 /nfs/dbraw/zinc/20/71/01/334207101.db2.gz VSEPZKZZXTXNDW-DAWZGUTISA-N 1 0 300.446 4.357 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)s1 ZINC000296794549 334236608 /nfs/dbraw/zinc/23/66/08/334236608.db2.gz QRISTCVMMYDMBJ-DCAQKATOSA-N 1 0 313.264 4.244 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000295026999 334215584 /nfs/dbraw/zinc/21/55/84/334215584.db2.gz LFHRIKVWYKHRCL-JQWIXIFHSA-N 1 0 300.299 4.016 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000295122245 334219099 /nfs/dbraw/zinc/21/90/99/334219099.db2.gz WRMDUNLEQHETMI-KXBFYZLASA-N 1 0 306.409 4.231 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Br)c1 ZINC000296560325 334235050 /nfs/dbraw/zinc/23/50/50/334235050.db2.gz SFPOBKKSDXLOMO-HUBLWGQQSA-N 1 0 307.235 4.182 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1OC(F)F ZINC000296651740 334235668 /nfs/dbraw/zinc/23/56/68/334235668.db2.gz YXRAIYINZFQQQC-DYEKYZERSA-N 1 0 324.371 4.030 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1OC(F)(F)F ZINC000296650155 334235706 /nfs/dbraw/zinc/23/57/06/334235706.db2.gz YTSFLMFBIYUOJL-AVGNSLFASA-N 1 0 312.335 4.318 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1ccc(OCC#N)cc1 ZINC000297367082 334240838 /nfs/dbraw/zinc/24/08/38/334240838.db2.gz QEKGPLOTDCXPML-CQSZACIVSA-N 1 0 324.399 4.456 20 30 DIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000298360796 334248006 /nfs/dbraw/zinc/24/80/06/334248006.db2.gz FZCHTENOUHBGIF-IAGOWNOFSA-N 1 0 324.472 4.489 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccnc1 ZINC000299283253 334254456 /nfs/dbraw/zinc/25/44/56/334254456.db2.gz DIMHKCZETSTURA-PBPGXSGUSA-N 1 0 305.425 4.136 20 30 DIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1OC ZINC000299731366 334257729 /nfs/dbraw/zinc/25/77/29/334257729.db2.gz XDEZDNWVJIWPFX-GJZGRUSLSA-N 1 0 304.434 4.217 20 30 DIEDRO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000187669046 334268623 /nfs/dbraw/zinc/26/86/23/334268623.db2.gz PPMOXFDEEMYCGP-KXBFYZLASA-N 1 0 306.409 4.117 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1Br)c1cccc(C#N)c1 ZINC000048820189 334301353 /nfs/dbraw/zinc/30/13/53/334301353.db2.gz KTSHCQACNKVSMA-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000048818306 334301374 /nfs/dbraw/zinc/30/13/74/334301374.db2.gz FLDCJFAMCBURKF-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2c(CC)cccc2CC)CC1 ZINC000111259115 334314313 /nfs/dbraw/zinc/31/43/13/334314313.db2.gz AEDDKQZSAORKBY-OAHLLOKOSA-N 1 0 314.473 4.036 20 30 DIEDRO COc1ccc(CCC[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000303723447 334329604 /nfs/dbraw/zinc/32/96/04/334329604.db2.gz SEASSIFNJAAPJR-INIZCTEOSA-N 1 0 308.425 4.192 20 30 DIEDRO CC(C)C[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000049442270 334334366 /nfs/dbraw/zinc/33/43/66/334334366.db2.gz RCAKMTULYQPVFC-UHFFFAOYSA-N 1 0 309.460 4.047 20 30 DIEDRO COCc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000535072177 334364387 /nfs/dbraw/zinc/36/43/87/334364387.db2.gz VBTNBYBKECCILQ-UHFFFAOYSA-N 1 0 322.452 4.363 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccnc2ccccc12 ZINC000535085523 334367333 /nfs/dbraw/zinc/36/73/33/334367333.db2.gz XQGXGDHPSQKTPZ-UHFFFAOYSA-N 1 0 313.404 4.295 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cc4cc(F)ccc4o3)CC2)c1 ZINC000341218380 334418692 /nfs/dbraw/zinc/41/86/92/334418692.db2.gz XNEHZMYUKUKGMW-UHFFFAOYSA-N 1 0 306.340 4.222 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2nc(-c3ccccc3)cs2)c1 ZINC000341491289 334447729 /nfs/dbraw/zinc/44/77/29/334447729.db2.gz SSWHIBZHMWPNDO-UHFFFAOYSA-N 1 0 319.433 4.014 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000341620483 334462608 /nfs/dbraw/zinc/46/26/08/334462608.db2.gz RYNDEVKINNDRTA-UHFFFAOYSA-N 1 0 319.408 4.439 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCOc2ccccc21 ZINC000341694967 334471155 /nfs/dbraw/zinc/47/11/55/334471155.db2.gz AJHCUSJBHJNUQH-UXHICEINSA-N 1 0 318.420 4.439 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000341752724 334476721 /nfs/dbraw/zinc/47/67/21/334476721.db2.gz WSOFBSANSDUDFL-WOJBJXKFSA-N 1 0 306.384 4.352 20 30 DIEDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341759526 334477989 /nfs/dbraw/zinc/47/79/89/334477989.db2.gz GPDCXKGWOCOJSO-VBKZILBWSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000341877108 334488863 /nfs/dbraw/zinc/48/88/63/334488863.db2.gz LFOFWYICVJMAPY-GXSJLCMTSA-N 1 0 320.285 4.207 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1nc2cccnc2s1)c1ccccc1 ZINC000341929307 334495680 /nfs/dbraw/zinc/49/56/80/334495680.db2.gz JIHKCPRLASVVQA-HNNXBMFYSA-N 1 0 309.438 4.488 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCn1ccnc1)c1ccc(C(F)(F)F)cc1 ZINC000342192317 334516162 /nfs/dbraw/zinc/51/61/62/334516162.db2.gz LWTGEVIUENTRAW-MRXNPFEDSA-N 1 0 323.362 4.199 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000342813086 334579519 /nfs/dbraw/zinc/57/95/19/334579519.db2.gz ORPNRSVUZHQISM-SFHVURJKSA-N 1 0 321.380 4.196 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417347397 334706276 /nfs/dbraw/zinc/70/62/76/334706276.db2.gz HFXKPEFITJWBKO-KRWDZBQOSA-N 1 0 315.417 4.282 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cnn1C(C)C ZINC000417365719 334741529 /nfs/dbraw/zinc/74/15/29/334741529.db2.gz MHPNBPXWQNDXRI-VBKZILBWSA-N 1 0 322.456 4.372 20 30 DIEDRO Cc1cccc2nc(C3CC[NH+]([C@H]4CC[C@@H](C#N)C4)CC3)oc21 ZINC000328845741 334759754 /nfs/dbraw/zinc/75/97/54/334759754.db2.gz QHEFGESFQMZQFT-ZBFHGGJFSA-N 1 0 309.413 4.008 20 30 DIEDRO Cc1cc(CNc2ccc(C[NH+]3CCCC3)cc2)ccc1C#N ZINC000443980532 338465197 /nfs/dbraw/zinc/46/51/97/338465197.db2.gz RRHHVSLZLPLHLK-UHFFFAOYSA-N 1 0 305.425 4.075 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)ccc1C#N ZINC000443987833 338465722 /nfs/dbraw/zinc/46/57/22/338465722.db2.gz LOOFGMRQVSQWLB-LEWJYISDSA-N 1 0 320.436 4.094 20 30 DIEDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000330687148 334799705 /nfs/dbraw/zinc/79/97/05/334799705.db2.gz NGEJYRCXLMIYST-UHFFFAOYSA-N 1 0 305.466 4.257 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(F)c1 ZINC000417395215 334835108 /nfs/dbraw/zinc/83/51/08/334835108.db2.gz WALWTTRFFPWBMR-RBZFPXEDSA-N 1 0 324.399 4.434 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(F)c1 ZINC000417395218 334835223 /nfs/dbraw/zinc/83/52/23/334835223.db2.gz WALWTTRFFPWBMR-ZUOKHONESA-N 1 0 324.399 4.434 20 30 DIEDRO N#Cc1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cc1 ZINC000425988641 334879305 /nfs/dbraw/zinc/87/93/05/334879305.db2.gz OQWNHAAAJCEFRM-UHFFFAOYSA-N 1 0 308.347 4.303 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1COc2ccccc21 ZINC000343930647 335202649 /nfs/dbraw/zinc/20/26/49/335202649.db2.gz LZBAAWLAPRHLLS-YLJYHZDGSA-N 1 0 318.420 4.092 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000344014067 335212824 /nfs/dbraw/zinc/21/28/24/335212824.db2.gz KJLKSHDKPBDJQX-FZKQIMNGSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(C#N)cc1 ZINC000344179877 335227874 /nfs/dbraw/zinc/22/78/74/335227874.db2.gz XGVRLXGEGAADKO-ZDUSSCGKSA-N 1 0 307.372 4.072 20 30 DIEDRO N#CCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000344320835 335240871 /nfs/dbraw/zinc/24/08/71/335240871.db2.gz CUYMBRFRRKTDBR-UHFFFAOYSA-N 1 0 319.202 4.102 20 30 DIEDRO C[C@H]1CC([NH2+]Cc2cccc(OCCCC#N)c2)C[C@H](C)C1 ZINC000344436315 335253788 /nfs/dbraw/zinc/25/37/88/335253788.db2.gz NAWPPTXXXSUTSD-HZPDHXFCSA-N 1 0 300.446 4.283 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000344442416 335254384 /nfs/dbraw/zinc/25/43/84/335254384.db2.gz ZMVJVJCSQBJPLG-GOSISDBHSA-N 1 0 324.449 4.306 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)s1 ZINC000344869862 335281820 /nfs/dbraw/zinc/28/18/20/335281820.db2.gz DHFBEFPLZTVCFJ-INIZCTEOSA-N 1 0 310.422 4.156 20 30 DIEDRO C[C@@H](CC#N)[N@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000345878867 335357634 /nfs/dbraw/zinc/35/76/34/335357634.db2.gz BNBUHSOOUJEFPQ-ZDUSSCGKSA-N 1 0 314.351 4.098 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(C#N)c(F)c1 ZINC000346127048 335377002 /nfs/dbraw/zinc/37/70/02/335377002.db2.gz BYGFUNXWRWBTQK-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000346147056 335381556 /nfs/dbraw/zinc/38/15/56/335381556.db2.gz WLDQDZUKXIIYGB-AWEZNQCLSA-N 1 0 316.420 4.087 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000444689537 338482831 /nfs/dbraw/zinc/48/28/31/338482831.db2.gz NZHTXEUVOVHZJF-AWEZNQCLSA-N 1 0 304.482 4.317 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000349443702 335672405 /nfs/dbraw/zinc/67/24/05/335672405.db2.gz AGXFSINONRRUPW-FZMZJTMJSA-N 1 0 310.235 4.217 20 30 DIEDRO CC[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000519579221 335877621 /nfs/dbraw/zinc/87/76/21/335877621.db2.gz FOSXBQKQOYKTGT-SFHVURJKSA-N 1 0 300.352 4.120 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1ccc(C#N)cc1 ZINC000532207358 335917829 /nfs/dbraw/zinc/91/78/29/335917829.db2.gz BYFPSGPMBJVKGW-MNOVXSKESA-N 1 0 304.315 4.387 20 30 DIEDRO N#Cc1cccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000520218888 335937930 /nfs/dbraw/zinc/93/79/30/335937930.db2.gz ZCWIZGGXULSQFY-UHFFFAOYSA-N 1 0 310.828 4.423 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CCCC2)c([N+](=O)[O-])c1 ZINC000584353544 336077449 /nfs/dbraw/zinc/07/74/49/336077449.db2.gz DEEOILINJIGOFX-UHFFFAOYSA-N 1 0 321.380 4.026 20 30 DIEDRO CCC1(CC)CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332246352 336164657 /nfs/dbraw/zinc/16/46/57/336164657.db2.gz XBSYAALSRBJDOP-QGZVFWFLSA-N 1 0 313.445 4.427 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695802 336179254 /nfs/dbraw/zinc/17/92/54/336179254.db2.gz VAVBJGNHYZAWJL-RDJZCZTQSA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCCCC#N ZINC000351950317 336182465 /nfs/dbraw/zinc/18/24/65/336182465.db2.gz DIMIHJWDLBDXLK-GFCCVEGCSA-N 1 0 307.235 4.062 20 30 DIEDRO C=C(C)COc1cc(C[N@H+](C)Cc2ccoc2C)ccc1OC ZINC000352669709 336229594 /nfs/dbraw/zinc/22/95/94/336229594.db2.gz AXDAWCLWLFLZIG-UHFFFAOYSA-N 1 0 315.413 4.184 20 30 DIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000532639356 336263871 /nfs/dbraw/zinc/26/38/71/336263871.db2.gz NUELOQJOWPYZOY-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C[C@H]([NH2+]Cc1sccc1Br)c1ccc(C#N)cc1 ZINC000043675066 336270765 /nfs/dbraw/zinc/27/07/65/336270765.db2.gz GZCRYIRTIHRQFD-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(C(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000352844034 336276027 /nfs/dbraw/zinc/27/60/27/336276027.db2.gz DYJOYPHPEZWBKT-UHFFFAOYSA-N 1 0 322.252 4.009 20 30 DIEDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000352863259 336282819 /nfs/dbraw/zinc/28/28/19/336282819.db2.gz TXRDFJOECOAZAC-GUYCJALGSA-N 1 0 311.454 4.031 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000192977797 336286511 /nfs/dbraw/zinc/28/65/11/336286511.db2.gz UHUGGXIMRCHKSF-OLZOCXBDSA-N 1 0 316.351 4.279 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000193004405 336286890 /nfs/dbraw/zinc/28/68/90/336286890.db2.gz CDSMZAYXMJIUJK-MGPUTAFESA-N 1 0 306.409 4.391 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000193016778 336287012 /nfs/dbraw/zinc/28/70/12/336287012.db2.gz FQYGPOOXMQHLMM-SGMGOOAPSA-N 1 0 312.335 4.318 20 30 DIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC000301250758 336296684 /nfs/dbraw/zinc/29/66/84/336296684.db2.gz POBWGWZRNRVCJQ-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO CC[NH+](CC)Cc1ccc(CNc2ccc(F)cc2C#N)cc1 ZINC000301377496 336303385 /nfs/dbraw/zinc/30/33/85/336303385.db2.gz WUCDDDXDGVYRBN-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000301440159 336306928 /nfs/dbraw/zinc/30/69/28/336306928.db2.gz UADIMPCRMVWGID-YJBOKZPZSA-N 1 0 311.454 4.115 20 30 DIEDRO C=CC[NH+]1CCC(Nc2ccc3ccc(Cl)c(C)c3n2)CC1 ZINC000301980388 336341120 /nfs/dbraw/zinc/34/11/20/336341120.db2.gz AQUCDFOHRUCYDT-UHFFFAOYSA-N 1 0 315.848 4.259 20 30 DIEDRO CC[N@H+](C)Cc1cccc(CNc2c(Cl)cccc2C#N)c1 ZINC000301988620 336341668 /nfs/dbraw/zinc/34/16/68/336341668.db2.gz NUJGTUKPYLXTHQ-UHFFFAOYSA-N 1 0 313.832 4.275 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)Cc1cnc(C2CCC2)s1 ZINC000352932171 336378050 /nfs/dbraw/zinc/37/80/50/336378050.db2.gz PJHDCGMSOUGVDH-UHFFFAOYSA-N 1 0 302.443 4.234 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCCCc3ccccc32)ccc1C#N ZINC000353604722 336428039 /nfs/dbraw/zinc/42/80/39/336428039.db2.gz ABGXQOPJFCPNBJ-LJQANCHMSA-N 1 0 306.409 4.124 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cccc(Cl)c1 ZINC000353611429 336428695 /nfs/dbraw/zinc/42/86/95/336428695.db2.gz PILWBRHIALZUQE-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)ccc1C#N ZINC000353626854 336429886 /nfs/dbraw/zinc/42/98/86/336429886.db2.gz UYDVDRDNPDQMMZ-IFXJQAMLSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCCc3c(C)ccc(C)c32)ccc1C#N ZINC000353628598 336430197 /nfs/dbraw/zinc/43/01/97/336430197.db2.gz XLOZVLYESPCLGA-IBGZPJMESA-N 1 0 320.436 4.351 20 30 DIEDRO CC[C@@H]1C[C@H](C[NH2+][C@@H](CCCC#N)c2ccccc2)CCO1 ZINC000353911364 336447519 /nfs/dbraw/zinc/44/75/19/336447519.db2.gz BMFZBCVXMOBMIH-QRQLOZEOSA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1ccc2nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)cn2c1 ZINC000353913690 336447735 /nfs/dbraw/zinc/44/77/35/336447735.db2.gz IIWNTHMNBSNSLA-IBGZPJMESA-N 1 0 318.424 4.168 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000353916282 336447957 /nfs/dbraw/zinc/44/79/57/336447957.db2.gz PVEAZWRQICLIAU-GOSISDBHSA-N 1 0 304.397 4.088 20 30 DIEDRO COCCCC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000355284260 336502323 /nfs/dbraw/zinc/50/23/23/336502323.db2.gz FEHVALPUAFDFQW-UHOSZYNNSA-N 1 0 300.446 4.216 20 30 DIEDRO N#CCC[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1 ZINC000358344601 336625171 /nfs/dbraw/zinc/62/51/71/336625171.db2.gz KURGZEGDEFXVEI-LJQANCHMSA-N 1 0 312.457 4.360 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000358367185 336626739 /nfs/dbraw/zinc/62/67/39/336626739.db2.gz KMPDEKZBKHWIKW-GOSISDBHSA-N 1 0 303.446 4.206 20 30 DIEDRO C=CCC[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000583681949 336698684 /nfs/dbraw/zinc/69/86/84/336698684.db2.gz FPMTVSSVYRPLTB-IBGZPJMESA-N 1 0 321.424 4.119 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000360656151 336717556 /nfs/dbraw/zinc/71/75/56/336717556.db2.gz GFJUYXNCFRUOSH-IEBWSBKVSA-N 1 0 310.441 4.017 20 30 DIEDRO COC(C)(C)C[C@@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360657861 336717701 /nfs/dbraw/zinc/71/77/01/336717701.db2.gz PJDVFBKVTUWOQL-KDOFPFPSSA-N 1 0 300.446 4.119 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1cncc(F)c1 ZINC000360873539 336725069 /nfs/dbraw/zinc/72/50/69/336725069.db2.gz QSTCQCOVJICLLO-ORAYPTAESA-N 1 0 309.388 4.211 20 30 DIEDRO CC[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(C#N)cc1 ZINC000360883204 336725519 /nfs/dbraw/zinc/72/55/19/336725519.db2.gz JHJYSOPZYQUEIE-IBGZPJMESA-N 1 0 321.399 4.462 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000362511646 336801289 /nfs/dbraw/zinc/80/12/89/336801289.db2.gz ODOLRYUPVJEWQT-UHFFFAOYSA-N 1 0 306.400 4.474 20 30 DIEDRO Cc1ccc(C(=O)C2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000370002839 336875550 /nfs/dbraw/zinc/87/55/50/336875550.db2.gz TXPDWIGNSQIOKR-UHFFFAOYSA-N 1 0 312.457 4.220 20 30 DIEDRO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3F)s2)CCC1 ZINC000418139933 336896278 /nfs/dbraw/zinc/89/62/78/336896278.db2.gz IKCUKQBKHVMPJX-UHFFFAOYSA-N 1 0 300.402 4.338 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1scnc1C1CC1 ZINC000418143867 336896622 /nfs/dbraw/zinc/89/66/22/336896622.db2.gz JHRZOWYWFYTAPU-INIZCTEOSA-N 1 0 309.438 4.059 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccsc1Cl ZINC000418146133 336896883 /nfs/dbraw/zinc/89/68/83/336896883.db2.gz OXILDXLPQZEMBJ-OAHLLOKOSA-N 1 0 302.830 4.440 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418150084 336898071 /nfs/dbraw/zinc/89/80/71/336898071.db2.gz VWKRGQKWEOJGEA-OAQYLSRUSA-N 1 0 318.420 4.290 20 30 DIEDRO COc1ccc(C2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000372403972 336930227 /nfs/dbraw/zinc/93/02/27/336930227.db2.gz IVUZUECBRGCLHI-UHFFFAOYSA-N 1 0 300.446 4.205 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000375625581 337015077 /nfs/dbraw/zinc/01/50/77/337015077.db2.gz PDMHUKFCJLDVSO-LJQANCHMSA-N 1 0 312.457 4.314 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000375639196 337015384 /nfs/dbraw/zinc/01/53/84/337015384.db2.gz LXPZNYKXSBSBHW-ATZDWAIDSA-N 1 0 306.409 4.013 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1ccco1 ZINC000375896983 337022601 /nfs/dbraw/zinc/02/26/01/337022601.db2.gz BZPAXYUYOYJNEC-DLBZAZTESA-N 1 0 313.397 4.409 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000377413951 337052395 /nfs/dbraw/zinc/05/23/95/337052395.db2.gz SRNAHSMAAGNJKJ-ACRUOGEOSA-N 1 0 320.436 4.377 20 30 DIEDRO CN1CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1c1ccc(Cl)cc1 ZINC000377668123 337057947 /nfs/dbraw/zinc/05/79/47/337057947.db2.gz KQQACWNSYOCNLW-DLBZAZTESA-N 1 0 319.880 4.005 20 30 DIEDRO CN1CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377668126 337058019 /nfs/dbraw/zinc/05/80/19/337058019.db2.gz KQQACWNSYOCNLW-SJORKVTESA-N 1 0 319.880 4.005 20 30 DIEDRO C=C[C@H](CC(=O)Nc1ccccc1C[NH2+]CC)c1ccccc1 ZINC000582610741 337113651 /nfs/dbraw/zinc/11/36/51/337113651.db2.gz WVBXCUAWIXIZNI-MRXNPFEDSA-N 1 0 308.425 4.095 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000582621336 337115840 /nfs/dbraw/zinc/11/58/40/337115840.db2.gz MCIGYQQVVRTXCZ-WBVHZDCISA-N 1 0 323.502 4.266 20 30 DIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)cc1 ZINC000582748267 337133044 /nfs/dbraw/zinc/13/30/44/337133044.db2.gz DYLIMYWYABJESG-OAQYLSRUSA-N 1 0 320.436 4.488 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000174818900 337142352 /nfs/dbraw/zinc/14/23/52/337142352.db2.gz JGVQQPQQSWGGBZ-HNNXBMFYSA-N 1 0 311.429 4.337 20 30 DIEDRO Cc1cccc(OC[C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508626 337146930 /nfs/dbraw/zinc/14/69/30/337146930.db2.gz VVUWRUSAYLZHEV-LSDHHAIUSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000538508519 337148488 /nfs/dbraw/zinc/14/84/88/337148488.db2.gz QOHXKFNXMZJDKP-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO CC(C)C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C(C)C ZINC000179702644 337169103 /nfs/dbraw/zinc/16/91/03/337169103.db2.gz GLHFWGGFLZISGO-UHFFFAOYSA-N 1 0 324.472 4.330 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000582809045 337183940 /nfs/dbraw/zinc/18/39/40/337183940.db2.gz DMJQNWHYLMWKNT-IBGZPJMESA-N 1 0 312.388 4.289 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)[C@@H]1COc2ccccc21 ZINC000185644466 337249785 /nfs/dbraw/zinc/24/97/85/337249785.db2.gz TUKLZRLMSPQDGG-QAPCUYQASA-N 1 0 320.436 4.142 20 30 DIEDRO C[C@H]([NH2+]Cc1csc(Br)c1)c1cccc(C#N)c1 ZINC000397436280 337263493 /nfs/dbraw/zinc/26/34/93/337263493.db2.gz CPAWGHDKHNWQGA-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO C=CCC1(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)CCC1 ZINC000189621596 337280860 /nfs/dbraw/zinc/28/08/60/337280860.db2.gz OCVQGSCEOTZKJK-UHFFFAOYSA-N 1 0 312.457 4.343 20 30 DIEDRO N#Cc1ccc(CN[C@@H](c2nccs2)c2ccccc2)cc1F ZINC000190370861 337287126 /nfs/dbraw/zinc/28/71/26/337287126.db2.gz YBIOXQCFHBMPNC-QGZVFWFLSA-N 1 0 323.396 4.033 20 30 DIEDRO C(#Cc1ccccc1)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000191923757 337301235 /nfs/dbraw/zinc/30/12/35/337301235.db2.gz ZEQZPZRNLCTADL-UHFFFAOYSA-N 1 0 316.404 4.059 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000192039266 337302229 /nfs/dbraw/zinc/30/22/29/337302229.db2.gz CWYMMLSNPOVTIH-GFCCVEGCSA-N 1 0 317.433 4.218 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000583325441 337316337 /nfs/dbraw/zinc/31/63/37/337316337.db2.gz MCAUZSABFBQSKI-QGZVFWFLSA-N 1 0 309.369 4.016 20 30 DIEDRO Cc1c2ccccc2oc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000583745769 337328428 /nfs/dbraw/zinc/32/84/28/337328428.db2.gz ORDQFDCYYRNCFS-GOSISDBHSA-N 1 0 302.377 4.390 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)ccc1C#N ZINC000583782484 337332674 /nfs/dbraw/zinc/33/26/74/337332674.db2.gz NHPVDTPANIXOHX-CQSZACIVSA-N 1 0 312.388 4.174 20 30 DIEDRO CC1(C)[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1Oc1ccccc1 ZINC000583803276 337335106 /nfs/dbraw/zinc/33/51/06/337335106.db2.gz ZVLVSDYNZOQMFZ-VHZYLWGESA-N 1 0 312.457 4.152 20 30 DIEDRO N#Cc1ccc(-c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000584611926 337372289 /nfs/dbraw/zinc/37/22/89/337372289.db2.gz UFJVGDBKIINSGQ-UHFFFAOYSA-N 1 0 306.409 4.090 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000105492333 337386889 /nfs/dbraw/zinc/38/68/89/337386889.db2.gz LXPZNYKXSBSBHW-VNCLNFNDSA-N 1 0 306.409 4.013 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1Br ZINC000035018788 337392571 /nfs/dbraw/zinc/39/25/71/337392571.db2.gz UNVNXHNCYUTWQJ-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO CC(C)c1ccc(O[C@H](C)C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000564101637 337453700 /nfs/dbraw/zinc/45/37/00/337453700.db2.gz ARAQSUPMBLWSHR-CQSZACIVSA-N 1 0 314.454 4.300 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429436876 337490339 /nfs/dbraw/zinc/49/03/39/337490339.db2.gz XIVNWSLPKILOLW-FHWLQOOXSA-N 1 0 305.437 4.016 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1nc2ccccc2n1C)c1ccccc1 ZINC000521479856 337562272 /nfs/dbraw/zinc/56/22/72/337562272.db2.gz JIGRFFDGOXVVCM-SFHVURJKSA-N 1 0 319.452 4.413 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000248915432 337568499 /nfs/dbraw/zinc/56/84/99/337568499.db2.gz WAXULRVSLVJHEH-IFIJOSMWSA-N 1 0 320.383 4.337 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000571936693 337582417 /nfs/dbraw/zinc/58/24/17/337582417.db2.gz FMVWTAQHPAZSBI-ZDUSSCGKSA-N 1 0 314.351 4.146 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000271453133 337644229 /nfs/dbraw/zinc/64/42/29/337644229.db2.gz GKEHJCOMHOHMLB-LPHOPBHVSA-N 1 0 323.436 4.427 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000271500953 337644942 /nfs/dbraw/zinc/64/49/42/337644942.db2.gz MBJSWCFUQLBORY-CRAIPNDOSA-N 1 0 308.381 4.318 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000273507222 337655530 /nfs/dbraw/zinc/65/55/30/337655530.db2.gz REIDNCMYTFFOHX-ZWOKBUDYSA-N 1 0 317.473 4.256 20 30 DIEDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421879139 337658281 /nfs/dbraw/zinc/65/82/81/337658281.db2.gz MURISGFPEPCBDO-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO C=C(C)CC[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000274772509 337660568 /nfs/dbraw/zinc/66/05/68/337660568.db2.gz HYWBLSCDVGRARB-UHFFFAOYSA-N 1 0 320.502 4.031 20 30 DIEDRO C=C(C)[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)c(F)c1 ZINC000423053715 337697321 /nfs/dbraw/zinc/69/73/21/337697321.db2.gz SIPACXITQWVZMG-QYZOEREBSA-N 1 0 314.379 4.316 20 30 DIEDRO N#CCCC[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423132916 337701083 /nfs/dbraw/zinc/70/10/83/337701083.db2.gz PUAOEPOCUOMPOT-UFYCRDLUSA-N 1 0 305.425 4.156 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000536863345 337747076 /nfs/dbraw/zinc/74/70/76/337747076.db2.gz LPIFWNZCOYWYRP-ODIFPOPNSA-N 1 0 310.397 4.192 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC1 ZINC000527750269 337761406 /nfs/dbraw/zinc/76/14/06/337761406.db2.gz VDABESJCHIFGFV-AYXTYWIVSA-N 1 0 300.833 4.040 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000105477916 337808397 /nfs/dbraw/zinc/80/83/97/337808397.db2.gz GIMXYCXODVBSPD-UHFFFAOYSA-N 1 0 319.351 4.143 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000424290102 337815786 /nfs/dbraw/zinc/81/57/86/337815786.db2.gz BGCDZJFQBDXMNB-DKIMLUQUSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000424291808 337816286 /nfs/dbraw/zinc/81/62/86/337816286.db2.gz FNLNSGJPZKPGQN-KYNGSXCRSA-N 1 0 310.441 4.034 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000424299209 337817367 /nfs/dbraw/zinc/81/73/67/337817367.db2.gz VCFWFMFARZZCEK-XIRDDKMYSA-N 1 0 303.471 4.021 20 30 DIEDRO C=CC[C@@H]1N(C(=O)Nc2cc(C)cc(C[NH3+])c2)CCCC1(C)C ZINC000424425579 337832543 /nfs/dbraw/zinc/83/25/43/337832543.db2.gz JZBFSNYYPDVKKH-KRWDZBQOSA-N 1 0 315.461 4.052 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C1CC1 ZINC000120456710 337874285 /nfs/dbraw/zinc/87/42/85/337874285.db2.gz BTXKLLJOWRSFCW-LJQANCHMSA-N 1 0 317.448 4.208 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1 ZINC000537061301 337885440 /nfs/dbraw/zinc/88/54/40/337885440.db2.gz IZRPHMMENORSKE-INIZCTEOSA-N 1 0 311.400 4.315 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000537092148 337889167 /nfs/dbraw/zinc/88/91/67/337889167.db2.gz KOQCDESGIFIJDH-FPOVZHCZSA-N 1 0 309.453 4.135 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000121324756 337891787 /nfs/dbraw/zinc/89/17/87/337891787.db2.gz IGEZYTSBEKYPOM-LJQANCHMSA-N 1 0 308.425 4.444 20 30 DIEDRO Cc1cccc(NC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000121432967 337892938 /nfs/dbraw/zinc/89/29/38/337892938.db2.gz XUJCTGMHLAAZND-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000537131901 337894613 /nfs/dbraw/zinc/89/46/13/337894613.db2.gz GZCNTSFUICWBLP-XJKSGUPXSA-N 1 0 313.363 4.339 20 30 DIEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]CCCCC#N)C(C)(C)C ZINC000537221304 337925015 /nfs/dbraw/zinc/92/50/15/337925015.db2.gz UBUYOPQAFIFJJD-QGZVFWFLSA-N 1 0 302.462 4.380 20 30 DIEDRO Cc1ccc(SCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000537410524 337933972 /nfs/dbraw/zinc/93/39/72/337933972.db2.gz JNXPJRKPNPMVKE-AWEZNQCLSA-N 1 0 314.429 4.449 20 30 DIEDRO COc1ccc2oc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)cc2c1 ZINC000123065706 337943132 /nfs/dbraw/zinc/94/31/32/337943132.db2.gz RGGLIOGCKBBFAS-ZDUSSCGKSA-N 1 0 306.365 4.164 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(OCCCC)CC2)cc1 ZINC000537620840 337948131 /nfs/dbraw/zinc/94/81/31/337948131.db2.gz XWTMHWHFYUEVQE-UHFFFAOYSA-N 1 0 303.446 4.033 20 30 DIEDRO C=CC1CC[NH+](Cc2cccc(OCC)c2OC(F)F)CC1 ZINC000537627902 337949980 /nfs/dbraw/zinc/94/99/80/337949980.db2.gz PUNXUSYZITVXGH-UHFFFAOYSA-N 1 0 311.372 4.085 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000514814624 337971061 /nfs/dbraw/zinc/97/10/61/337971061.db2.gz SQYYFARVSWRLQE-HXUWFJFHSA-N 1 0 315.420 4.249 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000315054570 337979802 /nfs/dbraw/zinc/97/98/02/337979802.db2.gz CSRPVOMZCSZUEW-UHFFFAOYSA-N 1 0 309.475 4.118 20 30 DIEDRO CC1(c2cccc(Cl)c2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000515155493 337981072 /nfs/dbraw/zinc/98/10/72/337981072.db2.gz ILPYRLNDQFHSEP-PBHICJAKSA-N 1 0 302.849 4.386 20 30 DIEDRO C=CCOCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000516163041 338006907 /nfs/dbraw/zinc/00/69/07/338006907.db2.gz RCGSGICSCGHEQX-LJQANCHMSA-N 1 0 317.379 4.041 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1nnc(C(C)C)s1)c1ccco1 ZINC000426304072 338025792 /nfs/dbraw/zinc/02/57/92/338025792.db2.gz BDMJXFTXQSJPCI-ZDUSSCGKSA-N 1 0 305.447 4.094 20 30 DIEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)Cc1ccsc1 ZINC000426459508 338032924 /nfs/dbraw/zinc/03/29/24/338032924.db2.gz KTTSKCYGAJMHQY-HNNXBMFYSA-N 1 0 301.430 4.192 20 30 DIEDRO Cc1nc(C(C)C)oc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000428348534 338048205 /nfs/dbraw/zinc/04/82/05/338048205.db2.gz UDSLCIAAHNNYPR-UHFFFAOYSA-N 1 0 309.413 4.143 20 30 DIEDRO Cc1cc([C@H](NCc2cccc(F)c2C#N)C2CC2)ccc1F ZINC000428355418 338048592 /nfs/dbraw/zinc/04/85/92/338048592.db2.gz PHCYCMAJCMQLKP-LJQANCHMSA-N 1 0 312.363 4.386 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1C#N)[C@H](C)Cc1ccsc1 ZINC000428438290 338051597 /nfs/dbraw/zinc/05/15/97/338051597.db2.gz JTDTWBRULUMMOY-CYBMUJFWSA-N 1 0 302.418 4.212 20 30 DIEDRO N#C[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000429028723 338069409 /nfs/dbraw/zinc/06/94/09/338069409.db2.gz MSBZJOXWAJXUIG-UAGQMJEPSA-N 1 0 304.384 4.051 20 30 DIEDRO N#Cc1cc(Br)ccc1C[NH+](C1CCC1)C1CCC1 ZINC000429155977 338072071 /nfs/dbraw/zinc/07/20/71/338072071.db2.gz PLDHONLNOMDXJD-UHFFFAOYSA-N 1 0 319.246 4.228 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429573617 338084655 /nfs/dbraw/zinc/08/46/55/338084655.db2.gz BIOYDHCLMWVNNB-HUUCEWRRSA-N 1 0 318.486 4.024 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429573615 338084714 /nfs/dbraw/zinc/08/47/14/338084714.db2.gz BIOYDHCLMWVNNB-CABCVRRESA-N 1 0 318.486 4.024 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000430016827 338093605 /nfs/dbraw/zinc/09/36/05/338093605.db2.gz BFJPWBUVRLWJIW-UHFFFAOYSA-N 1 0 302.727 4.142 20 30 DIEDRO COc1ccc(-c2ccccc2)cc1C[NH2+]CC1(CC#N)CC1 ZINC000430063090 338094760 /nfs/dbraw/zinc/09/47/60/338094760.db2.gz UZKLNDNKPUARFC-UHFFFAOYSA-N 1 0 306.409 4.146 20 30 DIEDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430726943 338112564 /nfs/dbraw/zinc/11/25/64/338112564.db2.gz WXYHMDUDMLREGS-IDOMTICXSA-N 1 0 312.457 4.246 20 30 DIEDRO N#CCC1(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000430733190 338112654 /nfs/dbraw/zinc/11/26/54/338112654.db2.gz DLDOJUQYDQFTDI-UHFFFAOYSA-N 1 0 312.363 4.338 20 30 DIEDRO N#CCC1(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000430738045 338112750 /nfs/dbraw/zinc/11/27/50/338112750.db2.gz YBHMLZWKNULBMW-HNNXBMFYSA-N 1 0 319.246 4.184 20 30 DIEDRO N#CCC1(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000430742613 338113027 /nfs/dbraw/zinc/11/30/27/338113027.db2.gz PJNRQVAJLDPENO-OAHLLOKOSA-N 1 0 319.246 4.110 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cc(F)c(Cl)cc1Cl ZINC000430750567 338113431 /nfs/dbraw/zinc/11/34/31/338113431.db2.gz BTRRYRUICUQKHR-VIFPVBQESA-N 1 0 301.192 4.477 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(SCC(F)F)cc1 ZINC000430749803 338113464 /nfs/dbraw/zinc/11/34/64/338113464.db2.gz LMGRNQNJOCQBKT-LBPRGKRZSA-N 1 0 310.413 4.388 20 30 DIEDRO N#Cc1cccc(CNCc2ccc(F)c(Cl)c2Cl)c1 ZINC000432225738 338149010 /nfs/dbraw/zinc/14/90/10/338149010.db2.gz FKKKMRZRJPHTRJ-UHFFFAOYSA-N 1 0 309.171 4.294 20 30 DIEDRO C=C(C)C[NH+]1CCC(NCc2csc(Cl)c2Cl)CC1 ZINC000432241340 338149992 /nfs/dbraw/zinc/14/99/92/338149992.db2.gz ORBPNPDAEMVINY-UHFFFAOYSA-N 1 0 319.301 4.185 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000432500528 338157699 /nfs/dbraw/zinc/15/76/99/338157699.db2.gz IYDURBPBMJHHOA-MJGOQNOKSA-N 1 0 319.452 4.125 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccccc1 ZINC000433011533 338176193 /nfs/dbraw/zinc/17/61/93/338176193.db2.gz GGMQHTZAHCVHCR-LJQANCHMSA-N 1 0 312.388 4.229 20 30 DIEDRO COc1ccc(OCC[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000433013987 338176251 /nfs/dbraw/zinc/17/62/51/338176251.db2.gz BMDYCNTVVMTTCB-HXUWFJFHSA-N 1 0 324.424 4.099 20 30 DIEDRO COc1cccc(OCC[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433020048 338176623 /nfs/dbraw/zinc/17/66/23/338176623.db2.gz AXSWIPWFAZCPBH-HXUWFJFHSA-N 1 0 324.424 4.099 20 30 DIEDRO COc1nc(C)cc(C)c1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433022249 338176745 /nfs/dbraw/zinc/17/67/45/338176745.db2.gz ULDSHJUUDKEWJV-IBGZPJMESA-N 1 0 323.440 4.232 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000433024055 338176890 /nfs/dbraw/zinc/17/68/90/338176890.db2.gz BGGQZHPSFZZFRA-IBGZPJMESA-N 1 0 307.372 4.222 20 30 DIEDRO Cc1c(C[NH2+][C@@H](CCCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000433025455 338177113 /nfs/dbraw/zinc/17/71/13/338177113.db2.gz KWWWLMHVLCVTGM-SFHVURJKSA-N 1 0 323.396 4.428 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000433028952 338177180 /nfs/dbraw/zinc/17/71/80/338177180.db2.gz QOWHWMMDXLNFJF-HXUWFJFHSA-N 1 0 306.384 4.202 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)ccc1F ZINC000433309041 338191211 /nfs/dbraw/zinc/19/12/11/338191211.db2.gz WKSNCOHOQZSFRV-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CCC[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000435286577 338236386 /nfs/dbraw/zinc/23/63/86/338236386.db2.gz DLAUSEFLVFROAL-HXUWFJFHSA-N 1 0 322.452 4.186 20 30 DIEDRO C=CCC[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000435286576 338236484 /nfs/dbraw/zinc/23/64/84/338236484.db2.gz DLAUSEFLVFROAL-FQEVSTJZSA-N 1 0 322.452 4.186 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000435666492 338244587 /nfs/dbraw/zinc/24/45/87/338244587.db2.gz YUDJDSFEABGVAS-INWMFGNUSA-N 1 0 313.363 4.337 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000435666197 338244656 /nfs/dbraw/zinc/24/46/56/338244656.db2.gz UXQCJYJDLPJYOO-NOLJZWGESA-N 1 0 324.262 4.081 20 30 DIEDRO C=CCC[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000435725325 338246218 /nfs/dbraw/zinc/24/62/18/338246218.db2.gz XDBGCGMPPVFZGI-HXUWFJFHSA-N 1 0 322.452 4.186 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000435734130 338246826 /nfs/dbraw/zinc/24/68/26/338246826.db2.gz YBVZLJYZVJDJBQ-JCNLHEQBSA-N 1 0 314.791 4.387 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000435733950 338246837 /nfs/dbraw/zinc/24/68/37/338246837.db2.gz VUGMCPQSBOWYEQ-KXBFYZLASA-N 1 0 313.397 4.143 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000435736210 338246931 /nfs/dbraw/zinc/24/69/31/338246931.db2.gz UZDBRSHHSLBQLD-YLJYHZDGSA-N 1 0 315.457 4.079 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000435739331 338247280 /nfs/dbraw/zinc/24/72/80/338247280.db2.gz WYTMPCGGYOIAAK-IAQYHMDHSA-N 1 0 300.229 4.064 20 30 DIEDRO C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000436283223 338265821 /nfs/dbraw/zinc/26/58/21/338265821.db2.gz LEFRERIHFLYPOS-OXQOHEQNSA-N 1 0 311.473 4.006 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000436289785 338266501 /nfs/dbraw/zinc/26/65/01/338266501.db2.gz HHCOQNNEEDRETL-AABGKKOBSA-N 1 0 301.474 4.133 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000436302108 338267635 /nfs/dbraw/zinc/26/76/35/338267635.db2.gz QZRDHTPEZOAJQL-WDYCEAGBSA-N 1 0 303.446 4.106 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000436302712 338267645 /nfs/dbraw/zinc/26/76/45/338267645.db2.gz BAUOBJLVZXBHIX-XCRHUMRWSA-N 1 0 321.848 4.125 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000436306718 338268159 /nfs/dbraw/zinc/26/81/59/338268159.db2.gz JAWMYLNXIQUNQK-NEWSRXKRSA-N 1 0 303.446 4.107 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000436309831 338268414 /nfs/dbraw/zinc/26/84/14/338268414.db2.gz QASCHMGWWKLQFB-AYBZRNKSSA-N 1 0 317.473 4.496 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000436312099 338268598 /nfs/dbraw/zinc/26/85/98/338268598.db2.gz JODYVVLNAWIRGB-SUMDDJOVSA-N 1 0 317.498 4.411 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000436314187 338268632 /nfs/dbraw/zinc/26/86/32/338268632.db2.gz YBUSUUDQTMIQGD-XKQJLSEDSA-N 1 0 321.848 4.125 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000436314183 338268678 /nfs/dbraw/zinc/26/86/78/338268678.db2.gz YBUSUUDQTMIQGD-COXVUDFISA-N 1 0 321.848 4.125 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(C#N)c(F)c1 ZINC000437096573 338300767 /nfs/dbraw/zinc/30/07/67/338300767.db2.gz YKALIMDPZRNBJJ-PIGZYNQJSA-N 1 0 314.335 4.011 20 30 DIEDRO C[N@H+](CCCCCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000437590096 338315174 /nfs/dbraw/zinc/31/51/74/338315174.db2.gz GMBCUIZUMMFEJH-UHFFFAOYSA-N 1 0 308.425 4.239 20 30 DIEDRO CC(C)[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000438330811 338339910 /nfs/dbraw/zinc/33/99/10/338339910.db2.gz WCSLDUYLQISFST-SFHVURJKSA-N 1 0 300.446 4.237 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccccc2N(C)C(C)C)c1 ZINC000438344044 338340547 /nfs/dbraw/zinc/34/05/47/338340547.db2.gz FJGQHACUKIVIBR-UHFFFAOYSA-N 1 0 324.468 4.386 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000438838257 338353278 /nfs/dbraw/zinc/35/32/78/338353278.db2.gz SGZQZZGEMSRSBN-HXUWFJFHSA-N 1 0 323.484 4.094 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1-n1nc(C)cc1C)C1CC1 ZINC000438999709 338358005 /nfs/dbraw/zinc/35/80/05/338358005.db2.gz MEBKVIZVKOIBDB-LJQANCHMSA-N 1 0 309.457 4.324 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)C1CC1 ZINC000439081634 338360501 /nfs/dbraw/zinc/36/05/01/338360501.db2.gz XCFQLXCMZVQNKQ-DLBZAZTESA-N 1 0 304.503 4.219 20 30 DIEDRO CCOc1ccc(CN(C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439452346 338369913 /nfs/dbraw/zinc/36/99/13/338369913.db2.gz NYFQBTSEZNFYCN-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000439485699 338371491 /nfs/dbraw/zinc/37/14/91/338371491.db2.gz UCFJASKJWMONOL-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO N#CCSCCC[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440331634 338385781 /nfs/dbraw/zinc/38/57/81/338385781.db2.gz OFNYGEYNUZJGNZ-LJQANCHMSA-N 1 0 314.498 4.003 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440542954 338389744 /nfs/dbraw/zinc/38/97/44/338389744.db2.gz IRKVOLYVVFBMGY-DOSUHQCWSA-N 1 0 324.468 4.289 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)ccc1C#N ZINC000440617455 338392647 /nfs/dbraw/zinc/39/26/47/338392647.db2.gz LEHMQKXITZQSPF-HNNXBMFYSA-N 1 0 320.436 4.296 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)ccc1C#N ZINC000440623517 338392853 /nfs/dbraw/zinc/39/28/53/338392853.db2.gz LEHMQKXITZQSPF-OAHLLOKOSA-N 1 0 320.436 4.296 20 30 DIEDRO COc1cc(C[NH2+][C@H]2c3ccccc3CCC[C@H]2C)ccc1C#N ZINC000440633440 338393381 /nfs/dbraw/zinc/39/33/81/338393381.db2.gz DZAFEVKIDWSWIT-QVKFZJNVSA-N 1 0 320.436 4.370 20 30 DIEDRO COc1cc(C[NH2+]C2(c3ccccc3)CCCC2)ccc1C#N ZINC000440830387 338398388 /nfs/dbraw/zinc/39/83/88/338398388.db2.gz XYHBVDIXSVBDMD-UHFFFAOYSA-N 1 0 306.409 4.126 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000441326140 338408464 /nfs/dbraw/zinc/40/84/64/338408464.db2.gz DQNADYXMNPKZNA-UHFFFAOYSA-N 1 0 311.454 4.230 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000441380050 338411046 /nfs/dbraw/zinc/41/10/46/338411046.db2.gz OXTDOABVYWIISK-UHFFFAOYSA-N 1 0 312.457 4.428 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1Br ZINC000442101187 338421334 /nfs/dbraw/zinc/42/13/34/338421334.db2.gz SYDIEVNIAJIMKV-HSBZDZAISA-N 1 0 321.262 4.430 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000442717252 338428799 /nfs/dbraw/zinc/42/87/99/338428799.db2.gz NLISBXZKIDQKGB-GHTZIAJQSA-N 1 0 320.436 4.185 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000442721302 338429025 /nfs/dbraw/zinc/42/90/25/338429025.db2.gz SWCSPPRVCOKZPS-WIYYLYMNSA-N 1 0 320.436 4.185 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000442771862 338430187 /nfs/dbraw/zinc/43/01/87/338430187.db2.gz UPWOJCSKDIXTPO-MAUKXSAKSA-N 1 0 310.466 4.355 20 30 DIEDRO C[C@H](CC[NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442787179 338431451 /nfs/dbraw/zinc/43/14/51/338431451.db2.gz AFDSXSQFOMOEHZ-DVOMOZLQSA-N 1 0 310.363 4.481 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000442790756 338431565 /nfs/dbraw/zinc/43/15/65/338431565.db2.gz HNCALPRWOKIYRC-MBOZVWFJSA-N 1 0 308.400 4.391 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1cccc(Br)c1 ZINC000442791848 338431646 /nfs/dbraw/zinc/43/16/46/338431646.db2.gz KQDJPPRGOSDQHQ-DOMZBBRYSA-N 1 0 321.262 4.009 20 30 DIEDRO COc1cccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)c1 ZINC000442794343 338431848 /nfs/dbraw/zinc/43/18/48/338431848.db2.gz QBOOKPKUVQIXSV-APWZRJJASA-N 1 0 306.409 4.144 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC000442834989 338433877 /nfs/dbraw/zinc/43/38/77/338433877.db2.gz CBESXPBPBVYRQJ-JKSUJKDBSA-N 1 0 303.409 4.076 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442844174 338434287 /nfs/dbraw/zinc/43/42/87/338434287.db2.gz FORXYQNCUUGABY-APWZRJJASA-N 1 0 301.393 4.007 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000442857752 338435174 /nfs/dbraw/zinc/43/51/74/338435174.db2.gz NRNONOZLCWHCKH-WFASDCNBSA-N 1 0 310.363 4.265 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000442866241 338436116 /nfs/dbraw/zinc/43/61/16/338436116.db2.gz WAAXISZLOAJRPR-KBPBESRZSA-N 1 0 304.384 4.058 20 30 DIEDRO CCC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OC)cc1 ZINC000442868325 338436478 /nfs/dbraw/zinc/43/64/78/338436478.db2.gz QHLGUDVPDRQBDH-LADRWXRNSA-N 1 0 300.446 4.456 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442873019 338436966 /nfs/dbraw/zinc/43/69/66/338436966.db2.gz OKYMXMMGVDMVDY-SWLSCSKDSA-N 1 0 308.347 4.366 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccc(C#N)cc1 ZINC000447530392 338554349 /nfs/dbraw/zinc/55/43/49/338554349.db2.gz MNPHPECXZUROGI-UWJYYQICSA-N 1 0 322.452 4.452 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447537595 338555153 /nfs/dbraw/zinc/55/51/53/338555153.db2.gz XDVJSIFPVXDHRY-FQEVSTJZSA-N 1 0 324.424 4.077 20 30 DIEDRO CC[C@@H]([NH2+]CCOC1CCCCCC1)c1ccc(C#N)cc1 ZINC000447544535 338555947 /nfs/dbraw/zinc/55/59/47/338555947.db2.gz VWSBXHLTKWOBFD-LJQANCHMSA-N 1 0 300.446 4.338 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)Cc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447586033 338559521 /nfs/dbraw/zinc/55/95/21/338559521.db2.gz MJRBPKDNWHELRO-YWZLYKJASA-N 1 0 308.425 4.239 20 30 DIEDRO CC[C@H]([NH2+][C@H]1COc2c1ccc(C)c2C)c1ccc(C#N)cc1 ZINC000447588671 338559930 /nfs/dbraw/zinc/55/99/30/338559930.db2.gz VTOROJQEPJTBBB-OALUTQOASA-N 1 0 306.409 4.350 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1OC(F)F ZINC000449071731 338590622 /nfs/dbraw/zinc/59/06/22/338590622.db2.gz OLFBWEGSFWEHBX-POZPTJLLSA-N 1 0 308.372 4.411 20 30 DIEDRO C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000449076580 338591106 /nfs/dbraw/zinc/59/11/06/338591106.db2.gz ULJGEYJDTHYJQW-IJNIYJAUSA-N 1 0 312.457 4.479 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000449086178 338592035 /nfs/dbraw/zinc/59/20/35/338592035.db2.gz BCGGGGCRQXXTPZ-UHFFFAOYSA-N 1 0 313.264 4.073 20 30 DIEDRO CCCOCc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449089564 338592332 /nfs/dbraw/zinc/59/23/32/338592332.db2.gz KLBPPRYHUSAYQP-UHFFFAOYSA-N 1 0 300.446 4.175 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000449096165 338593001 /nfs/dbraw/zinc/59/30/01/338593001.db2.gz FGVUEGKYRFZUCE-ADEKHHIBSA-N 1 0 312.457 4.216 20 30 DIEDRO C=C(C)C[NH+]1CCC(NCc2cc(Cl)sc2Cl)CC1 ZINC000449123972 338595183 /nfs/dbraw/zinc/59/51/83/338595183.db2.gz OUKFWSBDKQDKHE-UHFFFAOYSA-N 1 0 319.301 4.185 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(c2ccc(C)cn2)CC1 ZINC000449161796 338598050 /nfs/dbraw/zinc/59/80/50/338598050.db2.gz GXOZWCLGOMVZDX-QGZVFWFLSA-N 1 0 301.478 4.083 20 30 DIEDRO CC[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1ccccc1F ZINC000449184305 338600393 /nfs/dbraw/zinc/60/03/93/338600393.db2.gz MONFBVMDIFWQOK-SWKXRBFHSA-N 1 0 304.409 4.045 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)c2ccc(F)cc2O1 ZINC000449185776 338600482 /nfs/dbraw/zinc/60/04/82/338600482.db2.gz IJBKIDJOVMPDTR-NLGTXKQRSA-N 1 0 316.420 4.490 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1 ZINC000449222203 338603692 /nfs/dbraw/zinc/60/36/92/338603692.db2.gz VTGNKJCYFXWZBR-YJBOKZPZSA-N 1 0 315.436 4.373 20 30 DIEDRO COc1ccccc1C1(C[NH2+]C2CCC(C)(C#N)CC2)CCC1 ZINC000449245082 338606128 /nfs/dbraw/zinc/60/61/28/338606128.db2.gz YEDMQXPPGVRDLC-UHFFFAOYSA-N 1 0 312.457 4.179 20 30 DIEDRO CC(C)COc1ccccc1C[NH2+]CC1CCC(C#N)CC1 ZINC000449300782 338610864 /nfs/dbraw/zinc/61/08/64/338610864.db2.gz FWKGRYFWYLAUCT-UHFFFAOYSA-N 1 0 300.446 4.141 20 30 DIEDRO CCOc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1Cl ZINC000449315834 338611973 /nfs/dbraw/zinc/61/19/73/338611973.db2.gz WEYCVEYXMBGHBT-UHFFFAOYSA-N 1 0 306.837 4.301 20 30 DIEDRO COc1cc(F)cc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000449338720 338614822 /nfs/dbraw/zinc/61/48/22/338614822.db2.gz HNFDGFKYAXBMCA-LJQANCHMSA-N 1 0 312.388 4.359 20 30 DIEDRO COCC1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000449342173 338615170 /nfs/dbraw/zinc/61/51/70/338615170.db2.gz ZOBUTRDVSNIHAX-KVZIAJEVSA-N 1 0 300.446 4.216 20 30 DIEDRO C=C(CC)C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000449731537 338648373 /nfs/dbraw/zinc/64/83/73/338648373.db2.gz IXWXUUHYIIISOR-UHFFFAOYSA-N 1 0 324.424 4.003 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cnc(C)cc2C)cc1Cl ZINC000449733799 338648660 /nfs/dbraw/zinc/64/86/60/338648660.db2.gz KFRFRAMVMPXEMY-UHFFFAOYSA-N 1 0 316.832 4.206 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)cc1F ZINC000449735378 338649093 /nfs/dbraw/zinc/64/90/93/338649093.db2.gz QNBLJUIVGLRTSN-UHFFFAOYSA-N 1 0 315.417 4.101 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000449770428 338651459 /nfs/dbraw/zinc/65/14/59/338651459.db2.gz ITWBAXUROVZOAN-OCCSQVGLSA-N 1 0 317.845 4.094 20 30 DIEDRO N#CC1(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCC1 ZINC000450980835 338715621 /nfs/dbraw/zinc/71/56/21/338715621.db2.gz OBFSNLFEAYGDRI-OAHLLOKOSA-N 1 0 324.346 4.320 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453102104 338794134 /nfs/dbraw/zinc/79/41/34/338794134.db2.gz OTFSITRDSBZGJZ-YOEHRIQHSA-N 1 0 304.503 4.317 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453218674 338809516 /nfs/dbraw/zinc/80/95/16/338809516.db2.gz KSYTYHYCDQPZAB-DOMZBBRYSA-N 1 0 312.413 4.237 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000453242988 338813163 /nfs/dbraw/zinc/81/31/63/338813163.db2.gz BZORIAUINHTSCD-TZMCWYRMSA-N 1 0 324.346 4.246 20 30 DIEDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453295190 338819970 /nfs/dbraw/zinc/81/99/70/338819970.db2.gz RXLXUGYOGWGPEQ-XBFCOCLRSA-N 1 0 305.491 4.482 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000453309050 338822217 /nfs/dbraw/zinc/82/22/17/338822217.db2.gz OSPMKFIMBFYVMC-CQSZACIVSA-N 1 0 303.450 4.079 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CCCC1 ZINC000453340211 338827484 /nfs/dbraw/zinc/82/74/84/338827484.db2.gz BNUSKIPHXSHWFD-BTYIYWSLSA-N 1 0 305.487 4.211 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453340047 338827494 /nfs/dbraw/zinc/82/74/94/338827494.db2.gz BPYKXLKVWOOANK-IFXJQAMLSA-N 1 0 323.415 4.319 20 30 DIEDRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000453370719 338833375 /nfs/dbraw/zinc/83/33/75/338833375.db2.gz VVPHLTHPVFCDIB-ZDUSSCGKSA-N 1 0 312.363 4.262 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1F ZINC000453372578 338833636 /nfs/dbraw/zinc/83/36/36/338833636.db2.gz GOQYYCQFYAQOTN-SFHVURJKSA-N 1 0 322.383 4.233 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000453379290 338834879 /nfs/dbraw/zinc/83/48/79/338834879.db2.gz YXYPTIKILRRHGX-BEVDRBHNSA-N 1 0 308.425 4.133 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453386704 338836198 /nfs/dbraw/zinc/83/61/98/338836198.db2.gz OYBHCOFRGDSXHR-LJQANCHMSA-N 1 0 324.399 4.218 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(O)c(OCC)c1 ZINC000459294661 339019809 /nfs/dbraw/zinc/01/98/09/339019809.db2.gz CIDDBLLCSBFTDL-UHFFFAOYSA-N 1 0 303.427 4.041 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCOCC1CCCC1)c1ccccc1 ZINC000459489642 339032356 /nfs/dbraw/zinc/03/23/56/339032356.db2.gz RIODPHQVONGYNS-IBGZPJMESA-N 1 0 300.446 4.218 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+]CC#Cc1ccccc1Cl ZINC000459645104 339040068 /nfs/dbraw/zinc/04/00/68/339040068.db2.gz YHMSUPLIQGRJND-INIZCTEOSA-N 1 0 312.844 4.088 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000459725484 339043045 /nfs/dbraw/zinc/04/30/45/339043045.db2.gz COXHYKFVVLIADG-UHFFFAOYSA-N 1 0 321.396 4.118 20 30 DIEDRO CCCOc1c(Cl)cc(C[NH2+]CC(C)(C)CC#N)cc1OC ZINC000459690820 339043215 /nfs/dbraw/zinc/04/32/15/339043215.db2.gz JZOKCGYWCZTNNV-UHFFFAOYSA-N 1 0 324.852 4.167 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000459703547 339043597 /nfs/dbraw/zinc/04/35/97/339043597.db2.gz WOACUAGCQYRFAD-UHFFFAOYSA-N 1 0 304.743 4.388 20 30 DIEDRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000459735529 339045207 /nfs/dbraw/zinc/04/52/07/339045207.db2.gz TWALSBBLYICUDI-HNNXBMFYSA-N 1 0 315.461 4.057 20 30 DIEDRO CCC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000459755128 339046382 /nfs/dbraw/zinc/04/63/82/339046382.db2.gz NPXJAOQJQPSKMU-FQEVSTJZSA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000462110840 339072345 /nfs/dbraw/zinc/07/23/45/339072345.db2.gz JRLOOLVNBLSKIW-SFHVURJKSA-N 1 0 322.537 4.135 20 30 DIEDRO CC#CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000462332309 339076013 /nfs/dbraw/zinc/07/60/13/339076013.db2.gz GBSGDTYHBPCDOQ-QGZVFWFLSA-N 1 0 309.457 4.210 20 30 DIEDRO Cc1ccc([C@@H](CNc2c(Cl)cccc2C#N)[NH+](C)C)cc1 ZINC000462375275 339077367 /nfs/dbraw/zinc/07/73/67/339077367.db2.gz KSGFVXYNPUTSEZ-QGZVFWFLSA-N 1 0 313.832 4.235 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)C2CCCCC2)cc(OC)c1O ZINC000462727768 339085100 /nfs/dbraw/zinc/08/51/00/339085100.db2.gz PQIUWRXFXYIJTQ-AWEZNQCLSA-N 1 0 303.446 4.188 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)C2CCCCC2)cc1OC ZINC000462730022 339085188 /nfs/dbraw/zinc/08/51/88/339085188.db2.gz FCMAOSGMTLVCMU-OAHLLOKOSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc(OC)c1O ZINC000462736742 339085907 /nfs/dbraw/zinc/08/59/07/339085907.db2.gz UVWFTTJYMYYNJG-JFIYKMOQSA-N 1 0 315.457 4.188 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)Oc2cccc(C)c2)cc1 ZINC000462739366 339086177 /nfs/dbraw/zinc/08/61/77/339086177.db2.gz OIOWDBGNSFVTFD-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000462750170 339086806 /nfs/dbraw/zinc/08/68/06/339086806.db2.gz XNAZSXHYEUUCKK-IZIZEDOESA-N 1 0 312.457 4.417 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000462756032 339087184 /nfs/dbraw/zinc/08/71/84/339087184.db2.gz XSPDDYDSMXXNBK-CQSZACIVSA-N 1 0 317.379 4.423 20 30 DIEDRO C[C@H](CNc1c(Cl)cccc1C#N)[N@H+](C)Cc1ccccc1 ZINC000462838211 339093633 /nfs/dbraw/zinc/09/36/33/339093633.db2.gz JIHUUHQFZVHYFS-CQSZACIVSA-N 1 0 313.832 4.144 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463035844 339102095 /nfs/dbraw/zinc/10/20/95/339102095.db2.gz PVVADJCAEZOAMF-OLZOCXBDSA-N 1 0 302.365 4.173 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCOC1 ZINC000463225891 339110539 /nfs/dbraw/zinc/11/05/39/339110539.db2.gz ROVSSNVXJLJVPX-HXUWFJFHSA-N 1 0 320.436 4.225 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCOc2ccc3ccccc3c2)C1 ZINC000463235285 339110838 /nfs/dbraw/zinc/11/08/38/339110838.db2.gz COEOEBNZSWXYCD-QFBILLFUSA-N 1 0 308.425 4.281 20 30 DIEDRO CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000463237277 339111062 /nfs/dbraw/zinc/11/10/62/339111062.db2.gz VFXMBKAZNWWHOG-NVXWUHKLSA-N 1 0 300.446 4.035 20 30 DIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463239618 339111214 /nfs/dbraw/zinc/11/12/14/339111214.db2.gz YGQLRRVNTDQMHW-BQFCYCMXSA-N 1 0 300.446 4.454 20 30 DIEDRO CC[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)Oc1ccccc1Cl ZINC000463243712 339111596 /nfs/dbraw/zinc/11/15/96/339111596.db2.gz QEVCIDGNLMRZFP-RRFJBIMHSA-N 1 0 306.837 4.169 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000463272032 339112847 /nfs/dbraw/zinc/11/28/47/339112847.db2.gz NNCWMRWTFLDGHL-BJLQDIEVSA-N 1 0 300.490 4.374 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000463277667 339112947 /nfs/dbraw/zinc/11/29/47/339112947.db2.gz TXPMFCBGTLZBCV-IBGZPJMESA-N 1 0 314.517 4.418 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000463288304 339113583 /nfs/dbraw/zinc/11/35/83/339113583.db2.gz BSQVBOCHUKGHDQ-XLIONFOSSA-N 1 0 320.436 4.438 20 30 DIEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463446896 339118226 /nfs/dbraw/zinc/11/82/26/339118226.db2.gz UIJJOZFHWGLXJY-HIFRSBDPSA-N 1 0 314.326 4.250 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1ccc(F)c(C#N)c1 ZINC000464582847 339146014 /nfs/dbraw/zinc/14/60/14/339146014.db2.gz ADMUUQXNLZUTKL-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1cccc(C#N)c1F ZINC000464593724 339146718 /nfs/dbraw/zinc/14/67/18/339146718.db2.gz NPPLEIOSOVUYLF-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO COc1ccc(CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464816133 339155118 /nfs/dbraw/zinc/15/51/18/339155118.db2.gz SAILBDNKWRDXIP-NHCUHLMSSA-N 1 0 320.436 4.009 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000466382757 339201649 /nfs/dbraw/zinc/20/16/49/339201649.db2.gz IIQHYQLSSMAEEU-CYBMUJFWSA-N 1 0 317.351 4.081 20 30 DIEDRO C=CC[C@H](CC)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000466397896 339202413 /nfs/dbraw/zinc/20/24/13/339202413.db2.gz GLMBNUOKLVRQCZ-HNNXBMFYSA-N 1 0 322.246 4.169 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000466424324 339204204 /nfs/dbraw/zinc/20/42/04/339204204.db2.gz HCXDKZHHLSAAEE-TZIWHRDSSA-N 1 0 304.437 4.102 20 30 DIEDRO COc1ccc(C[NH2+]CCc2cccc(C#N)c2)c2ccccc12 ZINC000466423844 339204255 /nfs/dbraw/zinc/20/42/55/339204255.db2.gz FCFBQXANOKKEOL-UHFFFAOYSA-N 1 0 316.404 4.052 20 30 DIEDRO CCC[N@H+](CCCSCC#N)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000466709616 339213727 /nfs/dbraw/zinc/21/37/27/339213727.db2.gz FIDUCZUKCBWKJL-IRXDYDNUSA-N 1 0 324.534 4.083 20 30 DIEDRO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CCCSCC#N)cc1 ZINC000466743619 339215447 /nfs/dbraw/zinc/21/54/47/339215447.db2.gz MRZFBJIYVIZTLS-FUHWJXTLSA-N 1 0 302.487 4.415 20 30 DIEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000467300013 339230523 /nfs/dbraw/zinc/23/05/23/339230523.db2.gz ZFZODNCAYWEQLC-KRWDZBQOSA-N 1 0 322.452 4.112 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000467384485 339235866 /nfs/dbraw/zinc/23/58/66/339235866.db2.gz IQMRSLNLUQGKHK-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000467390049 339236318 /nfs/dbraw/zinc/23/63/18/339236318.db2.gz NGCNPJLJIXRMIZ-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000467416200 339237354 /nfs/dbraw/zinc/23/73/54/339237354.db2.gz FMSHYZLXGWFYCA-HYVNUMGLSA-N 1 0 302.418 4.250 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000467418906 339237577 /nfs/dbraw/zinc/23/75/77/339237577.db2.gz OSYSPUCTRPWGIP-UKRRQHHQSA-N 1 0 308.853 4.310 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000467432509 339238200 /nfs/dbraw/zinc/23/82/00/339238200.db2.gz KZPPKAZIHFUNSN-MRXNPFEDSA-N 1 0 308.425 4.239 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467434232 339238253 /nfs/dbraw/zinc/23/82/53/339238253.db2.gz CGYHTRCYKLHMBB-ZDUSSCGKSA-N 1 0 313.470 4.340 20 30 DIEDRO Cc1cc([C@@H]([NH2+]CCc2cccc(C#N)c2)C2CC2)ccc1F ZINC000467433983 339238292 /nfs/dbraw/zinc/23/82/92/339238292.db2.gz BGAQAIAPJQBGFK-FQEVSTJZSA-N 1 0 308.400 4.289 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1cnc2ccsc2c1 ZINC000467451652 339239398 /nfs/dbraw/zinc/23/93/98/339239398.db2.gz WWOQQMWVXKEUSP-ZDUSSCGKSA-N 1 0 307.422 4.061 20 30 DIEDRO C=C[C@@](C)(CC)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000467517132 339240811 /nfs/dbraw/zinc/24/08/11/339240811.db2.gz CVSCLYFULFCXFH-IBGZPJMESA-N 1 0 300.446 4.213 20 30 DIEDRO N#Cc1cccc(CC[NH2+]CCCc2c(F)cccc2Cl)c1 ZINC000467544560 339241664 /nfs/dbraw/zinc/24/16/64/339241664.db2.gz WHXQQDRUBMSSKD-UHFFFAOYSA-N 1 0 316.807 4.116 20 30 DIEDRO C=CCC(CC=C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000467814646 339246994 /nfs/dbraw/zinc/24/69/94/339246994.db2.gz YTJAPQSIXDRCRN-UHFFFAOYSA-N 1 0 312.457 4.379 20 30 DIEDRO C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H](CC)CC#N)cc1 ZINC000468475660 339263750 /nfs/dbraw/zinc/26/37/50/339263750.db2.gz OAXJTIDKYMUDNG-ZQUVTCLKSA-N 1 0 300.446 4.244 20 30 DIEDRO C[C@@H]1C[C@H](Nc2ccc(CC#N)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000468476967 339263753 /nfs/dbraw/zinc/26/37/53/339263753.db2.gz YTYORSIFGMCFGQ-UTKZUKDTSA-N 1 0 319.452 4.075 20 30 DIEDRO C[C@@H](CC#N)[N@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000469059654 339278830 /nfs/dbraw/zinc/27/88/30/339278830.db2.gz SQEPOBYEXMJQJO-LQPUYASZSA-N 1 0 307.235 4.086 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000469073380 339279343 /nfs/dbraw/zinc/27/93/43/339279343.db2.gz WAQNJODDFMKWEY-MRXNPFEDSA-N 1 0 318.852 4.064 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469458714 339290191 /nfs/dbraw/zinc/29/01/91/339290191.db2.gz JKBIQCMXFPOYMH-CZUORRHYSA-N 1 0 312.363 4.387 20 30 DIEDRO C[C@@H](CCC1CC1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000469799030 339300870 /nfs/dbraw/zinc/30/08/70/339300870.db2.gz IBPSWPDZNOMULD-MNNVXMFVSA-N 1 0 312.457 4.417 20 30 DIEDRO C=CCOCCC[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000470717281 339325825 /nfs/dbraw/zinc/32/58/25/339325825.db2.gz RPVMSJYTMWWMCP-UHFFFAOYSA-N 1 0 312.457 4.248 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000470763253 339327020 /nfs/dbraw/zinc/32/70/20/339327020.db2.gz CIDKYOIFBOIAEE-KGLIPLIRSA-N 1 0 315.379 4.380 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000470774343 339327517 /nfs/dbraw/zinc/32/75/17/339327517.db2.gz SDAPFSINQYKECZ-AWEZNQCLSA-N 1 0 316.470 4.362 20 30 DIEDRO COCCCC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000471003480 339334304 /nfs/dbraw/zinc/33/43/04/339334304.db2.gz DYDKLKPSCVTOQH-OAQYLSRUSA-N 1 0 307.437 4.186 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000471008205 339334433 /nfs/dbraw/zinc/33/44/33/339334433.db2.gz AVPQCELTUIMXNM-AWEZNQCLSA-N 1 0 322.474 4.121 20 30 DIEDRO CC[C@@H](c1ccccc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000471146156 339338540 /nfs/dbraw/zinc/33/85/40/339338540.db2.gz WEZAHJMHIDXABU-LEWJYISDSA-N 1 0 319.452 4.020 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000471589663 339348428 /nfs/dbraw/zinc/34/84/28/339348428.db2.gz RPZPVMGHAQSRNX-CQSZACIVSA-N 1 0 301.409 4.327 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000472040413 339360077 /nfs/dbraw/zinc/36/00/77/339360077.db2.gz DAWSJIAEWHEICR-UHFFFAOYSA-N 1 0 305.315 4.213 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000472143015 339364164 /nfs/dbraw/zinc/36/41/64/339364164.db2.gz WAXUSWNZZNUSMA-PKOBYXMFSA-N 1 0 306.409 4.047 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000472152529 339364588 /nfs/dbraw/zinc/36/45/88/339364588.db2.gz HDVVPJOVHLDETA-APWZRJJASA-N 1 0 324.399 4.187 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000472761496 339377007 /nfs/dbraw/zinc/37/70/07/339377007.db2.gz FMAOMFNOAVWMIF-YPMHNXCESA-N 1 0 302.245 4.313 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2oc3ccccc3c2OC)cc1 ZINC000473994738 339396483 /nfs/dbraw/zinc/39/64/83/339396483.db2.gz LCSLNFGVOMHWAR-UHFFFAOYSA-N 1 0 323.392 4.296 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c1F ZINC000475201060 339441366 /nfs/dbraw/zinc/44/13/66/339441366.db2.gz GJNPNTVOHWFAAM-QFBILLFUSA-N 1 0 308.400 4.198 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c1F ZINC000475201061 339441471 /nfs/dbraw/zinc/44/14/71/339441471.db2.gz GJNPNTVOHWFAAM-VQIMIIECSA-N 1 0 308.400 4.198 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475565716 339455658 /nfs/dbraw/zinc/45/56/58/339455658.db2.gz MFRSXYZBBPHOEY-YJBOKZPZSA-N 1 0 312.363 4.262 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000479423415 339534321 /nfs/dbraw/zinc/53/43/21/339534321.db2.gz PJKFYQCIHCAXRR-JLSDUUJJSA-N 1 0 309.400 4.375 20 30 DIEDRO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000479469001 339536869 /nfs/dbraw/zinc/53/68/69/339536869.db2.gz UZSWXDMSGPLWFG-KRWDZBQOSA-N 1 0 319.452 4.125 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC000481371814 339602523 /nfs/dbraw/zinc/60/25/23/339602523.db2.gz FGCDPNTUQODYCI-ACJLOTCBSA-N 1 0 314.816 4.077 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000481383711 339602836 /nfs/dbraw/zinc/60/28/36/339602836.db2.gz SBOPYCYMTSEVDD-FZKQIMNGSA-N 1 0 314.816 4.077 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(F)c(F)c1 ZINC000481589684 339607389 /nfs/dbraw/zinc/60/73/89/339607389.db2.gz ARMHCERSUVKOQM-LJQANCHMSA-N 1 0 316.395 4.438 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000481657673 339608872 /nfs/dbraw/zinc/60/88/72/339608872.db2.gz NITGPRIQYSDDTL-ICSRJNTNSA-N 1 0 324.468 4.407 20 30 DIEDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481665209 339609163 /nfs/dbraw/zinc/60/91/63/339609163.db2.gz XRJGRPVYHZDJMK-OAQYLSRUSA-N 1 0 320.436 4.433 20 30 DIEDRO COc1cc(C)ccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481666370 339609228 /nfs/dbraw/zinc/60/92/28/339609228.db2.gz GVWMJKMTMQJOTP-FQEVSTJZSA-N 1 0 320.436 4.433 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000481808356 339614405 /nfs/dbraw/zinc/61/44/05/339614405.db2.gz AFPVLWFGUBVPNP-ZBFHGGJFSA-N 1 0 312.363 4.262 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000482946646 339647802 /nfs/dbraw/zinc/64/78/02/339647802.db2.gz KWBUSKWLCGMBOR-SFHVURJKSA-N 1 0 301.474 4.109 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000484099802 339680876 /nfs/dbraw/zinc/68/08/76/339680876.db2.gz ZYGAOZPJISGMJZ-KXBFYZLASA-N 1 0 313.828 4.057 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc2ncsc2c1 ZINC000485835452 339714062 /nfs/dbraw/zinc/71/40/62/339714062.db2.gz QFFYLMVSUGSQLW-CYBMUJFWSA-N 1 0 307.422 4.213 20 30 DIEDRO C[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccc(C#N)cc1 ZINC000486990944 339741930 /nfs/dbraw/zinc/74/19/30/339741930.db2.gz RUDJYIBGLCCHAJ-LBPRGKRZSA-N 1 0 309.394 4.126 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1cc(F)ccc1F ZINC000488165307 339772236 /nfs/dbraw/zinc/77/22/36/339772236.db2.gz SDFJYVFPOQAFOH-SFHVURJKSA-N 1 0 300.352 4.386 20 30 DIEDRO C=CCCCCC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000488207124 339773244 /nfs/dbraw/zinc/77/32/44/339773244.db2.gz XNDRGJSCHYLZEL-UHFFFAOYSA-N 1 0 318.436 4.223 20 30 DIEDRO C=CCCCCC[NH2+]C1(c2cccc(OC)c2F)CCOCC1 ZINC000489007153 339799782 /nfs/dbraw/zinc/79/97/82/339799782.db2.gz GESVXCLMCUHMNW-UHFFFAOYSA-N 1 0 321.436 4.176 20 30 DIEDRO C=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000490144623 339826889 /nfs/dbraw/zinc/82/68/89/339826889.db2.gz QEIKJEVTJAOALC-NRFANRHFSA-N 1 0 300.405 4.474 20 30 DIEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000492818315 339909594 /nfs/dbraw/zinc/90/95/94/339909594.db2.gz NLSHZZGLGUNTGM-RDJZCZTQSA-N 1 0 324.428 4.057 20 30 DIEDRO Cc1cc(Br)cc2c1[C@H]([NH2+]CCCCC#N)CC2 ZINC000493917628 339936486 /nfs/dbraw/zinc/93/64/86/339936486.db2.gz SRUAJFFDZIOGJF-CQSZACIVSA-N 1 0 307.235 4.028 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494527414 339952639 /nfs/dbraw/zinc/95/26/39/339952639.db2.gz NTTQYPCSVHWFDN-CQSZACIVSA-N 1 0 300.377 4.457 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494546890 339953139 /nfs/dbraw/zinc/95/31/39/339953139.db2.gz KOSSKSGQOXCDEV-ZDUSSCGKSA-N 1 0 323.362 4.004 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2ccccc2C)C2CCCC2)CC1 ZINC000495095289 339973951 /nfs/dbraw/zinc/97/39/51/339973951.db2.gz WSTIWXIHQXDDRB-NRFANRHFSA-N 1 0 312.501 4.466 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000498930958 340026365 /nfs/dbraw/zinc/02/63/65/340026365.db2.gz RYGFTAFSPNHKHD-LJQANCHMSA-N 1 0 314.404 4.272 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000498930957 340026378 /nfs/dbraw/zinc/02/63/78/340026378.db2.gz RYGFTAFSPNHKHD-IBGZPJMESA-N 1 0 314.404 4.272 20 30 DIEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499531574 340038832 /nfs/dbraw/zinc/03/88/32/340038832.db2.gz MAMLUWSNXISSID-DLBZAZTESA-N 1 0 306.494 4.281 20 30 DIEDRO CC(C)C1CCC([N@H+](C)CCCC2(C#N)CCOCC2)CC1 ZINC000499734275 340043658 /nfs/dbraw/zinc/04/36/58/340043658.db2.gz MXHHZXHWRFFSSO-UHFFFAOYSA-N 1 0 306.494 4.234 20 30 DIEDRO Cc1ccccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500083979 340049853 /nfs/dbraw/zinc/04/98/53/340049853.db2.gz SWXCZYTYYKIMFL-UHFFFAOYSA-N 1 0 304.437 4.489 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)cc(OC)c1O ZINC000500127176 340050803 /nfs/dbraw/zinc/05/08/03/340050803.db2.gz YWGRRHLKKZDLSE-UOIKSKOESA-N 1 0 303.446 4.044 20 30 DIEDRO COc1cccc(C2(F)CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000500139023 340051124 /nfs/dbraw/zinc/05/11/24/340051124.db2.gz MLNREGWHOFAKLM-UHFFFAOYSA-N 1 0 324.399 4.028 20 30 DIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1cc(C#N)ccc1F ZINC000500239786 340053800 /nfs/dbraw/zinc/05/38/00/340053800.db2.gz YUHIOOBPLXRGHV-UHFFFAOYSA-N 1 0 314.379 4.291 20 30 DIEDRO C[C@H]1C[C@]1([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000500416738 340057589 /nfs/dbraw/zinc/05/75/89/340057589.db2.gz OTSHJSWMQHUJBK-KPZWWZAWSA-N 1 0 314.791 4.376 20 30 DIEDRO CC[C@H]1C[C@@]1([NH2+]Cc1ccc(C#N)cc1F)c1cccc(C)c1 ZINC000500492856 340060537 /nfs/dbraw/zinc/06/05/37/340060537.db2.gz ABTXSOZTUQFNAQ-PXNSSMCTSA-N 1 0 308.400 4.421 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513374630 340064880 /nfs/dbraw/zinc/06/48/80/340064880.db2.gz ASHQYJAVYQJZGU-UHFFFAOYSA-N 1 0 317.452 4.058 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCSC3CCCCC3)CC2)c1 ZINC000501010300 340072311 /nfs/dbraw/zinc/07/23/11/340072311.db2.gz JEKVMOTXAMJIBS-UHFFFAOYSA-N 1 0 300.471 4.203 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000501255179 340077386 /nfs/dbraw/zinc/07/73/86/340077386.db2.gz BABRAYLMCSMDEX-SFHVURJKSA-N 1 0 310.372 4.043 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccc(C)s1)C(C)C ZINC000501267897 340077546 /nfs/dbraw/zinc/07/75/46/340077546.db2.gz CBYDRDVOWJSNEC-UHFFFAOYSA-N 1 0 314.454 4.347 20 30 DIEDRO N#CC1(C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)CC1 ZINC000501529045 340082804 /nfs/dbraw/zinc/08/28/04/340082804.db2.gz CGPKTJGKZXIPAB-FQEVSTJZSA-N 1 0 302.421 4.132 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000502429113 340103109 /nfs/dbraw/zinc/10/31/09/340103109.db2.gz GQUYWKMNDXMXGU-TVPLGVNVSA-N 1 0 310.441 4.171 20 30 DIEDRO N#Cc1ccc(C2=CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000502801920 340113878 /nfs/dbraw/zinc/11/38/78/340113878.db2.gz FXYNQYXPNTWEOX-UHFFFAOYSA-N 1 0 311.388 4.400 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000503006081 340118605 /nfs/dbraw/zinc/11/86/05/340118605.db2.gz RMXONTAPIKUHIT-PMACEKPBSA-N 1 0 322.477 4.185 20 30 DIEDRO C[C@H]1C[C@@]1([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)cc1 ZINC000503372849 340126645 /nfs/dbraw/zinc/12/66/45/340126645.db2.gz HGEGMHCQVGZZQI-SGTLLEGYSA-N 1 0 314.791 4.376 20 30 DIEDRO C[C@H]1C[C@@]1([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000503378605 340126843 /nfs/dbraw/zinc/12/68/43/340126843.db2.gz STAYAODMODSIFN-SGTLLEGYSA-N 1 0 314.791 4.376 20 30 DIEDRO C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000505058586 340160357 /nfs/dbraw/zinc/16/03/57/340160357.db2.gz XKAGTIOGWPOUCE-QGZVFWFLSA-N 1 0 324.428 4.287 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505867379 340180102 /nfs/dbraw/zinc/18/01/02/340180102.db2.gz BQXMETKNDGIOTO-SJLPKXTDSA-N 1 0 306.409 4.020 20 30 DIEDRO CC(C)(C)c1cccc(OCC[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000506284488 340191193 /nfs/dbraw/zinc/19/11/93/340191193.db2.gz KIFWLDNPRYOKTO-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO Cc1cc(C)cc(OCCC[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000506377335 340193604 /nfs/dbraw/zinc/19/36/04/340193604.db2.gz LNBKRDSXYOPIAX-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO CC(C)CC[N@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000506591911 340197381 /nfs/dbraw/zinc/19/73/81/340197381.db2.gz DENAFBNBMQHRLU-UHFFFAOYSA-N 1 0 300.446 4.380 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1cc(C#N)cs1 ZINC000507140561 340209316 /nfs/dbraw/zinc/20/93/16/340209316.db2.gz FPVBNCSGKGADLK-GOSISDBHSA-N 1 0 312.438 4.138 20 30 DIEDRO CC1CC[NH+](Cc2ccc(CNc3ccc(C#N)cc3)cc2)CC1 ZINC000507191345 340212118 /nfs/dbraw/zinc/21/21/18/340212118.db2.gz ABWWLIFPIPIAOJ-UHFFFAOYSA-N 1 0 319.452 4.402 20 30 DIEDRO Cc1ccc([C@@H](C)[N@H+](C)Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000507225625 340214536 /nfs/dbraw/zinc/21/45/36/340214536.db2.gz ALYWWVCTOKINTE-MRXNPFEDSA-N 1 0 318.424 4.016 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1C(F)(F)F ZINC000507248632 340215454 /nfs/dbraw/zinc/21/54/54/340215454.db2.gz WMAGJZUCMUWSRD-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000507724591 340229682 /nfs/dbraw/zinc/22/96/82/340229682.db2.gz KBMPPRIBKIIPMD-UHFFFAOYSA-N 1 0 323.396 4.125 20 30 DIEDRO CCOc1ccc(C2=CC[N@H+](Cc3cc(C#N)cs3)CC2)cc1 ZINC000507842512 340233915 /nfs/dbraw/zinc/23/39/15/340233915.db2.gz XPDPANFOJAUVEC-UHFFFAOYSA-N 1 0 324.449 4.308 20 30 DIEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000507949455 340236395 /nfs/dbraw/zinc/23/63/95/340236395.db2.gz HNJJEKZNPARUSU-CQSZACIVSA-N 1 0 317.820 4.146 20 30 DIEDRO C=CCOc1ccc(CNc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000508468566 340244343 /nfs/dbraw/zinc/24/43/43/340244343.db2.gz UVCGFIDWNAIHQQ-UHFFFAOYSA-N 1 0 319.408 4.108 20 30 DIEDRO N#Cc1ccc(CNc2[nH+]ccn2Cc2ccccc2Cl)cc1 ZINC000508506190 340245066 /nfs/dbraw/zinc/24/50/66/340245066.db2.gz QSHWJQUSQYMNRW-UHFFFAOYSA-N 1 0 322.799 4.069 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508604384 340247672 /nfs/dbraw/zinc/24/76/72/340247672.db2.gz MFQRPSZPSJXZIF-INIZCTEOSA-N 1 0 308.425 4.458 20 30 DIEDRO N#Cc1ccccc1COc1cccc(CN2CCC=C(F)C2)c1 ZINC000508633560 340248866 /nfs/dbraw/zinc/24/88/66/340248866.db2.gz BQRJCGGFCXCIJX-UHFFFAOYSA-N 1 0 322.383 4.196 20 30 DIEDRO C[C@H](C#N)C[N@H+](CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000508975311 340256740 /nfs/dbraw/zinc/25/67/40/340256740.db2.gz BCELBAIBRPJYEK-QGZVFWFLSA-N 1 0 304.437 4.443 20 30 DIEDRO C=C(C)CC[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000509024010 340258616 /nfs/dbraw/zinc/25/86/16/340258616.db2.gz ZVEFDHSIDFDRKI-QGZVFWFLSA-N 1 0 301.821 4.117 20 30 DIEDRO C=CC[N@@H+](CC)[C@@H]1CCSc2ccc(Br)cc21 ZINC000509071733 340260426 /nfs/dbraw/zinc/26/04/26/340260426.db2.gz QQMROGHENAXXKK-CYBMUJFWSA-N 1 0 312.276 4.494 20 30 DIEDRO Cc1ncsc1CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000509295246 340265697 /nfs/dbraw/zinc/26/56/97/340265697.db2.gz SEZNFOIBQZUPSF-UHFFFAOYSA-N 1 0 313.470 4.024 20 30 DIEDRO C=C(C)CC[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@@H]21 ZINC000509374684 340267718 /nfs/dbraw/zinc/26/77/18/340267718.db2.gz SSYHUXFJBHDLRR-GFEQUFNTSA-N 1 0 320.521 4.137 20 30 DIEDRO C=C(C)CC[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000509653851 340275818 /nfs/dbraw/zinc/27/58/18/340275818.db2.gz RMWQVGVTDSCACE-UHFFFAOYSA-N 1 0 301.409 4.046 20 30 DIEDRO CCn1c2ccccc2c2cc(CN(C)C[C@@H](C)C#N)ccc21 ZINC000509798835 340279395 /nfs/dbraw/zinc/27/93/95/340279395.db2.gz KIIOIOOSLAJUSN-HNNXBMFYSA-N 1 0 305.425 4.406 20 30 DIEDRO C[N@H+](CCc1cccc2ccccc21)Cc1ccccc1C#N ZINC000303090429 340301762 /nfs/dbraw/zinc/30/17/62/340301762.db2.gz CYPBMSYVEITVCX-UHFFFAOYSA-N 1 0 300.405 4.386 20 30 DIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510900150 340314290 /nfs/dbraw/zinc/31/42/90/340314290.db2.gz COBKIVWAFQRECA-LLVKDONJSA-N 1 0 300.299 4.094 20 30 DIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510900151 340314373 /nfs/dbraw/zinc/31/43/73/340314373.db2.gz COBKIVWAFQRECA-NSHDSACASA-N 1 0 300.299 4.094 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)o1 ZINC000511103735 340320996 /nfs/dbraw/zinc/32/09/96/340320996.db2.gz DQMRQZCTHPFLIZ-AWEZNQCLSA-N 1 0 300.789 4.012 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1ccccc1CC)CC1CCCCC1 ZINC000303430219 340325227 /nfs/dbraw/zinc/32/52/27/340325227.db2.gz DIEMLMJIALUPKE-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO N#CCCCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511541738 340330022 /nfs/dbraw/zinc/33/00/22/340330022.db2.gz MJBJLURLBWREEG-HNNXBMFYSA-N 1 0 312.335 4.320 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000511843780 340340165 /nfs/dbraw/zinc/34/01/65/340340165.db2.gz ONHOPVBJZYTYEV-HBMCJLEFSA-N 1 0 302.421 4.326 20 30 DIEDRO COc1c(C)cc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1C ZINC000303680841 340342452 /nfs/dbraw/zinc/34/24/52/340342452.db2.gz IZSVVXCIZHHTKI-MRXNPFEDSA-N 1 0 308.425 4.377 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C/C=C/c3ccc(F)c(F)c3)CC2)c1 ZINC000512036637 340346183 /nfs/dbraw/zinc/34/61/83/340346183.db2.gz AKGOLVLESRDCAE-DUXPYHPUSA-N 1 0 310.347 4.129 20 30 DIEDRO C=C(C)C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000512389029 340360035 /nfs/dbraw/zinc/36/00/35/340360035.db2.gz DLCWKLMQALTBRB-UHFFFAOYSA-N 1 0 308.141 4.134 20 30 DIEDRO CCOc1ccc([C@H]2CCCN2Cc2cccc(C#N)c2F)cc1 ZINC000512408423 340360857 /nfs/dbraw/zinc/36/08/57/340360857.db2.gz GYHHBGBGTHPXNC-LJQANCHMSA-N 1 0 324.399 4.433 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000512434198 340361643 /nfs/dbraw/zinc/36/16/43/340361643.db2.gz VDPBGIRJQWOAMB-DYVFJYSZSA-N 1 0 312.363 4.214 20 30 DIEDRO COc1ccc([C@@H]2CCCN2Cc2cccc(C#N)c2F)cc1 ZINC000512445082 340362047 /nfs/dbraw/zinc/36/20/47/340362047.db2.gz WBTIJWBDUWVGJP-SFHVURJKSA-N 1 0 310.372 4.043 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000512449289 340362425 /nfs/dbraw/zinc/36/24/25/340362425.db2.gz DZFMSLJYMMKPQN-AWEZNQCLSA-N 1 0 307.372 4.152 20 30 DIEDRO C=C(C)C[N@H+](CCCc1cccc(C)c1)Cc1ccc(CO)o1 ZINC000512487579 340363735 /nfs/dbraw/zinc/36/37/35/340363735.db2.gz WOTJAMGNXJBXLB-UHFFFAOYSA-N 1 0 313.441 4.091 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OCC=C)cc2)cc1 ZINC000512516228 340365156 /nfs/dbraw/zinc/36/51/56/340365156.db2.gz CMHPLYRUOGQLIY-UHFFFAOYSA-N 1 0 309.409 4.106 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc3cc(OC)ccc3o2)cc1 ZINC000512521262 340365409 /nfs/dbraw/zinc/36/54/09/340365409.db2.gz BVPXCRZQZPHCMQ-UHFFFAOYSA-N 1 0 323.392 4.296 20 30 DIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(F)cc1C ZINC000512527819 340365634 /nfs/dbraw/zinc/36/56/34/340365634.db2.gz YMBWIKOFMVWPMJ-UHFFFAOYSA-N 1 0 315.436 4.490 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(OCC=C)c2)cc1 ZINC000512530761 340365747 /nfs/dbraw/zinc/36/57/47/340365747.db2.gz ATWZWIAVVHNFLJ-UHFFFAOYSA-N 1 0 309.409 4.106 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000512535909 340365924 /nfs/dbraw/zinc/36/59/24/340365924.db2.gz DXFJSSSATXNZNQ-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000512536615 340365953 /nfs/dbraw/zinc/36/59/53/340365953.db2.gz JSAUSXLTFZKGAJ-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1 ZINC000512568860 340367268 /nfs/dbraw/zinc/36/72/68/340367268.db2.gz KNKOVLZDQUBPLX-UHFFFAOYSA-N 1 0 323.436 4.255 20 30 DIEDRO CCO[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1F)C1CCCC1 ZINC000512611801 340368888 /nfs/dbraw/zinc/36/88/88/340368888.db2.gz MNRDWWPPRMROSO-IFXJQAMLSA-N 1 0 318.436 4.333 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512615561 340369135 /nfs/dbraw/zinc/36/91/35/340369135.db2.gz ZKOVFEYWKRUBQC-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512624909 340369687 /nfs/dbraw/zinc/36/96/87/340369687.db2.gz KWWLNIJDRCZOIG-ZDUSSCGKSA-N 1 0 300.352 4.120 20 30 DIEDRO Cc1cccc2c(CC[NH2+][C@H](C)c3ccc(C#N)cc3F)c[nH]c21 ZINC000512625900 340369714 /nfs/dbraw/zinc/36/97/14/340369714.db2.gz QVYYAZVXNHDQJS-CQSZACIVSA-N 1 0 321.399 4.380 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1Cl ZINC000512626951 340369730 /nfs/dbraw/zinc/36/97/30/340369730.db2.gz XZCZAARDKBGPQX-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512636682 340370261 /nfs/dbraw/zinc/37/02/61/340370261.db2.gz NFLDMWFZPLIORN-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccc(C#N)cc1F ZINC000512636227 340370275 /nfs/dbraw/zinc/37/02/75/340370275.db2.gz KNXUOYPNROJYKN-XOBRGWDASA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1ccc(C#N)cc1F ZINC000512636224 340370347 /nfs/dbraw/zinc/37/03/47/340370347.db2.gz KNXUOYPNROJYKN-VBKZILBWSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641267 340370516 /nfs/dbraw/zinc/37/05/16/340370516.db2.gz FPYVKFUFWPFSQB-NWDGAFQWSA-N 1 0 318.342 4.430 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C12CCCC2 ZINC000512642071 340370555 /nfs/dbraw/zinc/37/05/55/340370555.db2.gz MGTKCMUFRDRLOT-MORSLUCNSA-N 1 0 316.420 4.086 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Cc1cccs1 ZINC000512641556 340370702 /nfs/dbraw/zinc/37/07/02/340370702.db2.gz IFODSEYQAWUUQB-OLZOCXBDSA-N 1 0 302.418 4.288 20 30 DIEDRO CCOCCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000512648656 340370959 /nfs/dbraw/zinc/37/09/59/340370959.db2.gz ODQFPUAYDHWWIM-OAHLLOKOSA-N 1 0 318.436 4.335 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512653722 340371179 /nfs/dbraw/zinc/37/11/79/340371179.db2.gz GOPIKRJKCMDTQJ-OLZOCXBDSA-N 1 0 300.352 4.291 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1F ZINC000512672758 340372369 /nfs/dbraw/zinc/37/23/69/340372369.db2.gz LYGQKHZSPQCAKQ-QFWMXSHPSA-N 1 0 314.326 4.469 20 30 DIEDRO CC(C)[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000513007191 340388088 /nfs/dbraw/zinc/38/80/88/340388088.db2.gz KUTPEIFOPVCKHV-GOSISDBHSA-N 1 0 315.848 4.080 20 30 DIEDRO C[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000513101876 340393368 /nfs/dbraw/zinc/39/33/68/340393368.db2.gz UZWIBUWYZWLSJB-MGPUTAFESA-N 1 0 306.409 4.025 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1cccc(F)c1C#N)c1ccsc1 ZINC000513173860 340395701 /nfs/dbraw/zinc/39/57/01/340395701.db2.gz YWCDIWRJKILAML-QGZVFWFLSA-N 1 0 317.433 4.254 20 30 DIEDRO C[C@@H]1SCC[N@H+](CCCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000174868223 340397955 /nfs/dbraw/zinc/39/79/55/340397955.db2.gz KISZIUORVBBWAB-RDJZCZTQSA-N 1 0 302.487 4.495 20 30 DIEDRO Cc1ccc([C@H]2CSCC[N@@H+]2CCCC(C)(C)C#N)cc1 ZINC000174866236 340397988 /nfs/dbraw/zinc/39/79/88/340397988.db2.gz HZDKEFWZILTRST-QGZVFWFLSA-N 1 0 302.487 4.415 20 30 DIEDRO Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000183454307 340487980 /nfs/dbraw/zinc/48/79/80/340487980.db2.gz VVUUORNGXXTCNN-UHFFFAOYSA-N 1 0 319.452 4.252 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000183542398 340488233 /nfs/dbraw/zinc/48/82/33/340488233.db2.gz SNFSMJLNUHYTQA-CQSZACIVSA-N 1 0 320.392 4.472 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1OC(F)F ZINC000185775429 340504983 /nfs/dbraw/zinc/50/49/83/340504983.db2.gz MCPNROYXYSMZPE-YDHLFZDLSA-N 1 0 308.372 4.411 20 30 DIEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000186363209 340511715 /nfs/dbraw/zinc/51/17/15/340511715.db2.gz MXYLODINRRUIKF-RTBURBONSA-N 1 0 314.473 4.171 20 30 DIEDRO C=C(C)[C@H](NC1CC[NH+](CCC)CC1)c1ccc(F)c(F)c1 ZINC000186451313 340512911 /nfs/dbraw/zinc/51/29/11/340512911.db2.gz CPZBHQZBALWRNC-SFHVURJKSA-N 1 0 308.416 4.046 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2cc(C#N)cs2)c(C)c1 ZINC000188795262 340522021 /nfs/dbraw/zinc/52/20/21/340522021.db2.gz FXWRZIZHPWKCGY-UHFFFAOYSA-N 1 0 300.427 4.007 20 30 DIEDRO C=C(CC)C[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000521915163 340539815 /nfs/dbraw/zinc/53/98/15/340539815.db2.gz MQOPWCYXWFHECU-MSOLQXFVSA-N 1 0 308.416 4.044 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccs1 ZINC000191825358 340559237 /nfs/dbraw/zinc/55/92/37/340559237.db2.gz JWGGDOSVDJDGCR-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccccc1 ZINC000191819588 340559298 /nfs/dbraw/zinc/55/92/98/340559298.db2.gz AQJZTSJEYMJITL-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C(C)C)cc1 ZINC000192148653 340563036 /nfs/dbraw/zinc/56/30/36/340563036.db2.gz RCEPEZXWVORYIG-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000523607456 340629864 /nfs/dbraw/zinc/62/98/64/340629864.db2.gz ATSLKEUWKGTFEE-UHFFFAOYSA-N 1 0 320.436 4.337 20 30 DIEDRO Cc1cccc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000303654681 340639384 /nfs/dbraw/zinc/63/93/84/340639384.db2.gz CCAAZRKDBJOCKZ-GOSISDBHSA-N 1 0 319.452 4.058 20 30 DIEDRO Cc1cccc(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000303654683 340639407 /nfs/dbraw/zinc/63/94/07/340639407.db2.gz CCAAZRKDBJOCKZ-SFHVURJKSA-N 1 0 319.452 4.058 20 30 DIEDRO CC(C)Oc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000236706968 340664035 /nfs/dbraw/zinc/66/40/35/340664035.db2.gz BSQLRHDLNUBRJV-KRWDZBQOSA-N 1 0 322.452 4.456 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000237789678 340673933 /nfs/dbraw/zinc/67/39/33/340673933.db2.gz RTEKRHFPACOKLT-LSDHHAIUSA-N 1 0 313.363 4.462 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000525248422 340696907 /nfs/dbraw/zinc/69/69/07/340696907.db2.gz WHNBVFCXHRHKAP-CABCVRRESA-N 1 0 324.424 4.377 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000525248425 340696921 /nfs/dbraw/zinc/69/69/21/340696921.db2.gz WHNBVFCXHRHKAP-LSDHHAIUSA-N 1 0 324.424 4.377 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000538257721 340815251 /nfs/dbraw/zinc/81/52/51/340815251.db2.gz IFIDAKPULBGVHL-LJQANCHMSA-N 1 0 308.425 4.231 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000538322866 340818156 /nfs/dbraw/zinc/81/81/56/340818156.db2.gz CJBRHZDCVWIWEO-HXUWFJFHSA-N 1 0 324.399 4.255 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000539091225 340872511 /nfs/dbraw/zinc/87/25/11/340872511.db2.gz UGVUDQDMKMKTTM-HOTGVXAUSA-N 1 0 309.457 4.051 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000539499367 340888010 /nfs/dbraw/zinc/88/80/10/340888010.db2.gz PRAMLVKSTZLEAS-PNHOKKKMSA-N 1 0 324.399 4.268 20 30 DIEDRO CC(C)c1ccccc1OCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000539508791 340888464 /nfs/dbraw/zinc/88/84/64/340888464.db2.gz ZQUGVZGXLSEKRU-INIZCTEOSA-N 1 0 308.425 4.411 20 30 DIEDRO C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000539604605 340892256 /nfs/dbraw/zinc/89/22/56/340892256.db2.gz ZJQQUEXIHRWDRE-OAHLLOKOSA-N 1 0 321.399 4.393 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000540159764 340918962 /nfs/dbraw/zinc/91/89/62/340918962.db2.gz OCYUZKWUHWMVFF-ZDUSSCGKSA-N 1 0 315.429 4.287 20 30 DIEDRO CCc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)o1 ZINC000540170724 340920258 /nfs/dbraw/zinc/92/02/58/340920258.db2.gz NJTBVCFMAVXFEZ-AWEZNQCLSA-N 1 0 314.454 4.298 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCOC1 ZINC000540316754 340926503 /nfs/dbraw/zinc/92/65/03/340926503.db2.gz QKLWAGXKZGPANA-PZJWPPBQSA-N 1 0 320.436 4.130 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000540460317 340932250 /nfs/dbraw/zinc/93/22/50/340932250.db2.gz IPZRSZMILMNYCC-FXAWDEMLSA-N 1 0 322.452 4.161 20 30 DIEDRO CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000540595520 340937414 /nfs/dbraw/zinc/93/74/14/340937414.db2.gz XJVUMHFAGFXXFC-ZDUSSCGKSA-N 1 0 314.429 4.411 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000540977104 340954015 /nfs/dbraw/zinc/95/40/15/340954015.db2.gz VHHMMCXDMNZDDU-CQSZACIVSA-N 1 0 301.455 4.418 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)c(OC(F)F)cc1C ZINC000540994460 340954974 /nfs/dbraw/zinc/95/49/74/340954974.db2.gz VIUBKMFORWQSFT-UHFFFAOYSA-N 1 0 308.372 4.031 20 30 DIEDRO N#CCC1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000541021155 340956440 /nfs/dbraw/zinc/95/64/40/340956440.db2.gz VIUPXUIWPMTSST-UHFFFAOYSA-N 1 0 308.425 4.234 20 30 DIEDRO Clc1ccc(C#CC[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000541580230 340975743 /nfs/dbraw/zinc/97/57/43/340975743.db2.gz YEMDYENMSJGXER-KRWDZBQOSA-N 1 0 301.842 4.494 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542012967 340993193 /nfs/dbraw/zinc/99/31/93/340993193.db2.gz APCCEMCOMMNARE-FUHWJXTLSA-N 1 0 320.436 4.302 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]2C ZINC000542256930 341002183 /nfs/dbraw/zinc/00/21/83/341002183.db2.gz CIVFASBJLUPBMR-HZPDHXFCSA-N 1 0 320.436 4.269 20 30 DIEDRO COc1ccc(Oc2ccc(CN(C)C[C@H](C)C#N)cc2)cc1 ZINC000542464786 341008132 /nfs/dbraw/zinc/00/81/32/341008132.db2.gz PHICTIRWGCFCNZ-OAHLLOKOSA-N 1 0 310.397 4.079 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000542697410 341017620 /nfs/dbraw/zinc/01/76/20/341017620.db2.gz LPCZESDLBNRTRU-UHFFFAOYSA-N 1 0 305.315 4.165 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1OC ZINC000130463465 341022344 /nfs/dbraw/zinc/02/23/44/341022344.db2.gz IAPOAPGTOJUSGF-GOSISDBHSA-N 1 0 324.424 4.229 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1OC ZINC000130463237 341022356 /nfs/dbraw/zinc/02/23/56/341022356.db2.gz IAPOAPGTOJUSGF-SFHVURJKSA-N 1 0 324.424 4.229 20 30 DIEDRO COc1ccccc1/C=C/C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000130478016 341022581 /nfs/dbraw/zinc/02/25/81/341022581.db2.gz JERGZFFPINYQMZ-YRVHBARZSA-N 1 0 306.409 4.343 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)cc(C)c1OC(F)F ZINC000542850082 341023444 /nfs/dbraw/zinc/02/34/44/341023444.db2.gz LJGOVWDXWXCAQG-UHFFFAOYSA-N 1 0 308.372 4.031 20 30 DIEDRO CC(C)(C)c1ccc(OCCC[NH+]2CCC(CC#N)CC2)cc1 ZINC000542882291 341025106 /nfs/dbraw/zinc/02/51/06/341025106.db2.gz XCOWTEFKRAFQJV-UHFFFAOYSA-N 1 0 314.473 4.379 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946834 341026913 /nfs/dbraw/zinc/02/69/13/341026913.db2.gz AESVANUURZKPQZ-JHVJFLLYSA-N 1 0 320.436 4.179 20 30 DIEDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542943259 341027013 /nfs/dbraw/zinc/02/70/13/341027013.db2.gz HAESTLSONLUJRT-CVEARBPZSA-N 1 0 308.425 4.301 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000543131529 341033285 /nfs/dbraw/zinc/03/32/85/341033285.db2.gz MXVCKYPDNGTOPZ-FQEVSTJZSA-N 1 0 308.400 4.099 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCCC(C)(C)C#N)c1 ZINC000543173000 341035086 /nfs/dbraw/zinc/03/50/86/341035086.db2.gz YKOIUTMLJWJHIE-QAPCUYQASA-N 1 0 300.446 4.408 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccccc2C#N)c1 ZINC000543175857 341035206 /nfs/dbraw/zinc/03/52/06/341035206.db2.gz JYQGWJJMUPJFRP-MGPUTAFESA-N 1 0 306.409 4.150 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC(C)(C)CCC#N)c1 ZINC000543412971 341042813 /nfs/dbraw/zinc/04/28/13/341042813.db2.gz RZDBTWQZCQZEHP-MAUKXSAKSA-N 1 0 300.446 4.408 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2ccccn2)c1 ZINC000131189582 341064425 /nfs/dbraw/zinc/06/44/25/341064425.db2.gz HFFBNPIHBQVGNR-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C[C@@H](CCc1cccc(F)c1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000543982878 341064940 /nfs/dbraw/zinc/06/49/40/341064940.db2.gz QCMIEIKEYSEKDV-AWEZNQCLSA-N 1 0 314.379 4.290 20 30 DIEDRO Cc1ccc(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cn1 ZINC000543991219 341065561 /nfs/dbraw/zinc/06/55/61/341065561.db2.gz NHOPVPUOQDUVQY-UHFFFAOYSA-N 1 0 324.855 4.275 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@H+](CC)CCC1CC1 ZINC000544894987 341097651 /nfs/dbraw/zinc/09/76/51/341097651.db2.gz AHLVKTPTAVTQFD-UHFFFAOYSA-N 1 0 318.486 4.025 20 30 DIEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)cc3F)CCCC2)cc1 ZINC000131877409 341112904 /nfs/dbraw/zinc/11/29/04/341112904.db2.gz JDDMNBWJUHXVLO-UHFFFAOYSA-N 1 0 324.399 4.265 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000545505234 341127618 /nfs/dbraw/zinc/12/76/18/341127618.db2.gz PQEQPDHPGKGLTD-OAHLLOKOSA-N 1 0 320.436 4.296 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc2c(c1)CCCC2 ZINC000545518935 341128157 /nfs/dbraw/zinc/12/81/57/341128157.db2.gz HRBJPZBAEPAZIY-AWEZNQCLSA-N 1 0 308.400 4.427 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000545904733 341145242 /nfs/dbraw/zinc/14/52/42/341145242.db2.gz BQVCTAOJEUPMJB-OAHLLOKOSA-N 1 0 308.425 4.037 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000545978466 341149278 /nfs/dbraw/zinc/14/92/78/341149278.db2.gz VHPDAPJHDOOVMY-QWHCGFSZSA-N 1 0 305.418 4.142 20 30 DIEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2CCCSCC#N)cc1 ZINC000074981066 341158713 /nfs/dbraw/zinc/15/87/13/341158713.db2.gz GVOPDHSONVOFPJ-SFHVURJKSA-N 1 0 318.486 4.259 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000546685720 341178674 /nfs/dbraw/zinc/17/86/74/341178674.db2.gz OFLFQLGOPYMFCI-ZBFHGGJFSA-N 1 0 315.388 4.206 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000546685837 341178720 /nfs/dbraw/zinc/17/87/20/341178720.db2.gz SBGFWPMXPOKQOX-DOMZBBRYSA-N 1 0 302.245 4.361 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000546685719 341178721 /nfs/dbraw/zinc/17/87/21/341178721.db2.gz OFLFQLGOPYMFCI-HOCLYGCPSA-N 1 0 315.388 4.206 20 30 DIEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)c1cccc(Cl)c1 ZINC000236732220 341197364 /nfs/dbraw/zinc/19/73/64/341197364.db2.gz AWGWNDAKFWBGMY-UHFFFAOYSA-N 1 0 304.846 4.341 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000547280684 341203488 /nfs/dbraw/zinc/20/34/88/341203488.db2.gz LKHVIQVINJYVQY-SUMWQHHRSA-N 1 0 303.837 4.107 20 30 DIEDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237056818 341206414 /nfs/dbraw/zinc/20/64/14/341206414.db2.gz CBQVAUVWBAHMQO-FUHWJXTLSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000076733823 341213123 /nfs/dbraw/zinc/21/31/23/341213123.db2.gz ZWCOQHIOLMUCIT-CQSZACIVSA-N 1 0 308.853 4.182 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCc2ccc(Cl)cc2Cl)o1 ZINC000237736154 341219249 /nfs/dbraw/zinc/21/92/49/341219249.db2.gz YSCBCVKTPGLMOD-UHFFFAOYSA-N 1 0 309.196 4.180 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3C=CCCC3)c2)c1 ZINC000237849069 341222022 /nfs/dbraw/zinc/22/20/22/341222022.db2.gz FBSVSLOVGNUVMU-HXUWFJFHSA-N 1 0 318.420 4.336 20 30 DIEDRO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000547883213 341238785 /nfs/dbraw/zinc/23/87/85/341238785.db2.gz GALRVRPIZVIRDV-AEFFLSMTSA-N 1 0 300.446 4.215 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000547883215 341238815 /nfs/dbraw/zinc/23/88/15/341238815.db2.gz GALRVRPIZVIRDV-SJLPKXTDSA-N 1 0 300.446 4.215 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)s1 ZINC000135665391 341243517 /nfs/dbraw/zinc/24/35/17/341243517.db2.gz WJMKYJDVBSNRNZ-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@@H](CC)C1CCOCC1)c1ccc(F)c(F)c1 ZINC000548158004 341250235 /nfs/dbraw/zinc/25/02/35/341250235.db2.gz HARQRDCCHPYHJC-ZWKOTPCHSA-N 1 0 309.400 4.377 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000078970247 341250903 /nfs/dbraw/zinc/25/09/03/341250903.db2.gz MGAMIDBRHGBGQB-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO C=CCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000548198804 341252647 /nfs/dbraw/zinc/25/26/47/341252647.db2.gz ZKTAYEITFMYXKH-QGZVFWFLSA-N 1 0 308.416 4.046 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000136729763 341266196 /nfs/dbraw/zinc/26/61/96/341266196.db2.gz RRECVFFTOQXUDN-GOSISDBHSA-N 1 0 315.457 4.223 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H](C)OCc1ccccc1)c1ccc(C#N)cc1 ZINC000548933421 341281571 /nfs/dbraw/zinc/28/15/71/341281571.db2.gz ULAXLOJFMAAJLG-DLBZAZTESA-N 1 0 308.425 4.204 20 30 DIEDRO FC(F)(F)[C@H]1CC[N@H+](CC#Cc2ccccc2)CC12CCC2 ZINC000548934603 341281596 /nfs/dbraw/zinc/28/15/96/341281596.db2.gz LROQIYMSBWLURB-INIZCTEOSA-N 1 0 307.359 4.093 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000549527934 341296390 /nfs/dbraw/zinc/29/63/90/341296390.db2.gz YNHKDIPNYYDUKC-DOTOQJQBSA-N 1 0 305.425 4.258 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)ccc1C#N ZINC000549821126 341303974 /nfs/dbraw/zinc/30/39/74/341303974.db2.gz MBUCHFGHMNYGLD-UHFFFAOYSA-N 1 0 306.409 4.124 20 30 DIEDRO N#CC1(C[NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000550464844 341317378 /nfs/dbraw/zinc/31/73/78/341317378.db2.gz OWEORLGPEODBRQ-UHFFFAOYSA-N 1 0 324.346 4.068 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009175 341329056 /nfs/dbraw/zinc/32/90/56/341329056.db2.gz QTPIMQWWEOOCGQ-DQLDELGASA-N 1 0 319.452 4.044 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)c2ccccc21 ZINC000551176239 341332991 /nfs/dbraw/zinc/33/29/91/341332991.db2.gz VJXJOHQXQZQRPK-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)c(F)c3)CC2)c1 ZINC000551227237 341334491 /nfs/dbraw/zinc/33/44/91/341334491.db2.gz GXJMUPAGQOJNDP-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1Cl)C1CC1 ZINC000551240306 341335045 /nfs/dbraw/zinc/33/50/45/341335045.db2.gz IXSAJNJKXZTDCU-OAHLLOKOSA-N 1 0 323.864 4.234 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246445550 341348998 /nfs/dbraw/zinc/34/89/98/341348998.db2.gz BOWMKTOZKKBFEP-OXJNMPFZSA-N 1 0 305.425 4.196 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(C)C ZINC000551799087 341352080 /nfs/dbraw/zinc/35/20/80/341352080.db2.gz JXNBEIZNENGCPK-FQEVSTJZSA-N 1 0 318.424 4.001 20 30 DIEDRO CC1=CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000552004266 341359128 /nfs/dbraw/zinc/35/91/28/341359128.db2.gz AERHKXPDZLFWPH-LMDPOFIKSA-N 1 0 310.441 4.337 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000247453233 341365326 /nfs/dbraw/zinc/36/53/26/341365326.db2.gz PIJYVYMONRIQLC-DQLDELGASA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000247478875 341365610 /nfs/dbraw/zinc/36/56/10/341365610.db2.gz UGBLFOLNWGQJJX-BMGDILEWSA-N 1 0 300.446 4.050 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000247478877 341365668 /nfs/dbraw/zinc/36/56/68/341365668.db2.gz UGBLFOLNWGQJJX-JCGIZDLHSA-N 1 0 300.446 4.050 20 30 DIEDRO COc1ccc(C[C@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)cc1 ZINC000552059436 341365993 /nfs/dbraw/zinc/36/59/93/341365993.db2.gz AUFPROOFPILLFJ-GOSISDBHSA-N 1 0 314.473 4.280 20 30 DIEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000552076301 341367903 /nfs/dbraw/zinc/36/79/03/341367903.db2.gz FWSYAORETROMKX-VQIMIIECSA-N 1 0 322.456 4.084 20 30 DIEDRO N#CCCC[C@H]([NH2+]CC1Cc2ccccc2C1)c1ccccc1 ZINC000552083286 341368133 /nfs/dbraw/zinc/36/81/33/341368133.db2.gz ZGPONXRBQRFKQP-NRFANRHFSA-N 1 0 304.437 4.426 20 30 DIEDRO COCCC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000552089567 341368886 /nfs/dbraw/zinc/36/88/86/341368886.db2.gz NTUQVPUWYLCZHK-QGPMSJSTSA-N 1 0 320.864 4.132 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2)cc1 ZINC000552089403 341368901 /nfs/dbraw/zinc/36/89/01/341368901.db2.gz JMEZEXDTDWBRIB-ZDUSSCGKSA-N 1 0 303.352 4.380 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000552129648 341371707 /nfs/dbraw/zinc/37/17/07/341371707.db2.gz CGOPKCAZAFUIAV-MRXNPFEDSA-N 1 0 306.837 4.123 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000552240085 341380528 /nfs/dbraw/zinc/38/05/28/341380528.db2.gz SXXMYTVIJDPINX-QGZVFWFLSA-N 1 0 319.452 4.186 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1ccco1 ZINC000552249029 341381305 /nfs/dbraw/zinc/38/13/05/341381305.db2.gz ZWUGIQGQAACIGY-CRAIPNDOSA-N 1 0 315.413 4.353 20 30 DIEDRO C=CCC[C@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000552276449 341383358 /nfs/dbraw/zinc/38/33/58/341383358.db2.gz YIRPHFFFSBQMDQ-MSOLQXFVSA-N 1 0 304.478 4.245 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000248785199 341386806 /nfs/dbraw/zinc/38/68/06/341386806.db2.gz IGZZOEDUPYHJLD-RYGJVYDSSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248809034 341387364 /nfs/dbraw/zinc/38/73/64/341387364.db2.gz KJXGEZQNHBNXNU-UMVBOHGHSA-N 1 0 310.363 4.308 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1Cl ZINC000552339612 341387778 /nfs/dbraw/zinc/38/77/78/341387778.db2.gz AHUKQAZRCJIZLR-NWDGAFQWSA-N 1 0 324.815 4.500 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248825509 341387780 /nfs/dbraw/zinc/38/77/80/341387780.db2.gz GBJFUVCQGBSAFM-XPKDYRNWSA-N 1 0 321.262 4.052 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+][C@H]3CCC[C@@H](C#N)C3)c(C)c2c1 ZINC000248832683 341388053 /nfs/dbraw/zinc/38/80/53/341388053.db2.gz MRRYDJDYHSRDCG-ZNMIVQPWSA-N 1 0 312.413 4.483 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248870563 341388965 /nfs/dbraw/zinc/38/89/65/341388965.db2.gz QNSPLHMZTZZZSO-NFAWXSAZSA-N 1 0 321.262 4.052 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000248880195 341389211 /nfs/dbraw/zinc/38/92/11/341389211.db2.gz KLOQMHNBMGXELS-KCPJHIHWSA-N 1 0 314.326 4.491 20 30 DIEDRO COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248889763 341389618 /nfs/dbraw/zinc/38/96/18/341389618.db2.gz SMKOVJCGHBHLRP-OAGGEKHMSA-N 1 0 318.486 4.095 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1OCC ZINC000248912942 341390103 /nfs/dbraw/zinc/39/01/03/341390103.db2.gz VQLOMSCIZJLAFS-ZMSDIMECSA-N 1 0 316.445 4.217 20 30 DIEDRO C=C[C@@](C)(CC)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000249143776 341394665 /nfs/dbraw/zinc/39/46/65/341394665.db2.gz YNNBKZPADOTYFB-XLIONFOSSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000552757109 341403542 /nfs/dbraw/zinc/40/35/42/341403542.db2.gz XCOGXQBYGURNAF-GJZGRUSLSA-N 1 0 300.446 4.357 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000090450900 341415867 /nfs/dbraw/zinc/41/58/67/341415867.db2.gz CGZLFHCVKMDXPC-CQSZACIVSA-N 1 0 316.470 4.362 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000553304951 341424473 /nfs/dbraw/zinc/42/44/73/341424473.db2.gz ATSVUNFQAQXGHR-VBKZILBWSA-N 1 0 308.400 4.296 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000554089978 341443618 /nfs/dbraw/zinc/44/36/18/341443618.db2.gz KBIAWEGYDCCOTQ-CSODTCANSA-N 1 0 310.441 4.026 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000554360567 341451133 /nfs/dbraw/zinc/45/11/33/341451133.db2.gz RVSRSPIPCVBJSC-HNNXBMFYSA-N 1 0 321.262 4.356 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000554981369 341471423 /nfs/dbraw/zinc/47/14/23/341471423.db2.gz CBVVTZYVUCXJKZ-KPZWWZAWSA-N 1 0 310.372 4.044 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(OC)c(OC)c1Cl ZINC000556216788 341497652 /nfs/dbraw/zinc/49/76/52/341497652.db2.gz JORBGURVCCYPPB-OLZOCXBDSA-N 1 0 311.853 4.090 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000565509633 341529367 /nfs/dbraw/zinc/52/93/67/341529367.db2.gz PRJIOFYNODVGTO-QVKFZJNVSA-N 1 0 320.436 4.165 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000565509635 341529429 /nfs/dbraw/zinc/52/94/29/341529429.db2.gz PRJIOFYNODVGTO-YCRPNKLZSA-N 1 0 320.436 4.165 20 30 DIEDRO CC(C)Cc1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)C2CC2)cc1 ZINC000566416719 341557199 /nfs/dbraw/zinc/55/71/99/341557199.db2.gz OIMLLTCOSFBNER-NRFANRHFSA-N 1 0 319.452 4.393 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000567271773 341592654 /nfs/dbraw/zinc/59/26/54/341592654.db2.gz TZNAKPXYRYXDIK-UHFFFAOYSA-N 1 0 302.365 4.283 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000567458981 341607905 /nfs/dbraw/zinc/60/79/05/341607905.db2.gz DLXSLGXDZYNYAD-RBUKOAKNSA-N 1 0 305.425 4.236 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH+]1CCC(CCC#N)CC1 ZINC000567905333 341639962 /nfs/dbraw/zinc/63/99/62/341639962.db2.gz SGZGKXGFOYPCRQ-SAPNQHFASA-N 1 0 312.457 4.252 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](c3cccc(F)c3)C1)CC2 ZINC000568025423 341646389 /nfs/dbraw/zinc/64/63/89/341646389.db2.gz CODXWJILWZESLS-QRFRQXIXSA-N 1 0 306.384 4.220 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3(CF)CCC3)c2)c1 ZINC000569118519 341691365 /nfs/dbraw/zinc/69/13/65/341691365.db2.gz AQYNRXXOSZVWPM-UHFFFAOYSA-N 1 0 324.399 4.119 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572841318 341706207 /nfs/dbraw/zinc/70/62/07/341706207.db2.gz OLCYLFRKEDRIBU-IBGZPJMESA-N 1 0 323.396 4.292 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000574313578 341754944 /nfs/dbraw/zinc/75/49/44/341754944.db2.gz RVOXPYGPFSNCCG-FQEVSTJZSA-N 1 0 323.484 4.175 20 30 DIEDRO COc1cccc(C2(C[NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)c1 ZINC000574369047 341756585 /nfs/dbraw/zinc/75/65/85/341756585.db2.gz AJQBEIAQTBRBEG-AWEZNQCLSA-N 1 0 324.399 4.088 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000574388468 341757195 /nfs/dbraw/zinc/75/71/95/341757195.db2.gz YMRFLDLEXCFYEL-DGCLKSJQSA-N 1 0 302.365 4.078 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000575122980 341779404 /nfs/dbraw/zinc/77/94/04/341779404.db2.gz NSLIBQQNCWEUMQ-VZJVUDMVSA-N 1 0 314.326 4.469 20 30 DIEDRO CCO[C@@H](CC[NH2+][C@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000575910741 341814081 /nfs/dbraw/zinc/81/40/81/341814081.db2.gz FIGJVOLEADIEQM-PMACEKPBSA-N 1 0 312.457 4.121 20 30 DIEDRO C[C@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000173858161 341820558 /nfs/dbraw/zinc/82/05/58/341820558.db2.gz VBHDZHRFHWKEAV-HNNXBMFYSA-N 1 0 312.388 4.207 20 30 DIEDRO COc1ccc([C@@H](CCC#N)[NH2+]CCOc2cccc(C)c2)cc1 ZINC000576594465 341854267 /nfs/dbraw/zinc/85/42/67/341854267.db2.gz ZWDHGWPWCDOKBC-HXUWFJFHSA-N 1 0 324.424 4.017 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000577080907 341884245 /nfs/dbraw/zinc/88/42/45/341884245.db2.gz QMZRMJPYXTZCRU-MRXNPFEDSA-N 1 0 306.409 4.078 20 30 DIEDRO CCC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCC1 ZINC000176806477 341900928 /nfs/dbraw/zinc/90/09/28/341900928.db2.gz SDZSDIFGXCUICU-UHFFFAOYSA-N 1 0 322.456 4.134 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(OC(F)F)cc1 ZINC000177682891 341923501 /nfs/dbraw/zinc/92/35/01/341923501.db2.gz KYLSUKDHSWJLLE-JTQLQIEISA-N 1 0 308.353 4.072 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCSc3c(F)cccc32)c1 ZINC000177682865 341923608 /nfs/dbraw/zinc/92/36/08/341923608.db2.gz UELRPGOZACDRSA-AWEZNQCLSA-N 1 0 304.415 4.086 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000177692243 341923979 /nfs/dbraw/zinc/92/39/79/341923979.db2.gz HUPNBLSABBZVSV-LLVKDONJSA-N 1 0 324.371 4.359 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000177703746 341924452 /nfs/dbraw/zinc/92/44/52/341924452.db2.gz ODLNWTAUIGFQIR-BDJLRTHQSA-N 1 0 320.845 4.139 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccccc1 ZINC000178759534 341964113 /nfs/dbraw/zinc/96/41/13/341964113.db2.gz FIDBTPRYPTYVLG-LJQANCHMSA-N 1 0 305.425 4.440 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3ccnc4ccccc43)CC2)C1 ZINC000578023103 341973131 /nfs/dbraw/zinc/97/31/31/341973131.db2.gz PCOWJDBKDZQLDU-RDJZCZTQSA-N 1 0 305.425 4.106 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1cccc(C#N)c1 ZINC000451867947 518183461 /nfs/dbraw/zinc/18/34/61/518183461.db2.gz LHUKEVVQHYFXTK-HNAYVOBHSA-N 1 0 305.425 4.180 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]CC(C)(C)CC#N)sc1Br ZINC000414158801 518187828 /nfs/dbraw/zinc/18/78/28/518187828.db2.gz ALJYJLVFXLYKAH-JTQLQIEISA-N 1 0 315.280 4.410 20 30 DIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181514581 519878033 /nfs/dbraw/zinc/87/80/33/519878033.db2.gz ZNPONNWYVHIQAC-HNNXBMFYSA-N 1 0 321.424 4.148 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000178176221 522224639 /nfs/dbraw/zinc/22/46/39/522224639.db2.gz HZSVEMCWLJFLIT-HUUCEWRRSA-N 1 0 324.424 4.296 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1ccc(C#N)cc1 ZINC000365805641 522723541 /nfs/dbraw/zinc/72/35/41/522723541.db2.gz MINYVZFHRLNMTA-RBUKOAKNSA-N 1 0 306.409 4.431 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192755134 522738279 /nfs/dbraw/zinc/73/82/79/522738279.db2.gz CECVCJATOXUSOA-ACJLOTCBSA-N 1 0 309.369 4.268 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(F)c(OC)cc21)c1ccc(C#N)cc1 ZINC000338015261 522759345 /nfs/dbraw/zinc/75/93/45/522759345.db2.gz HSVRZYILLQDRQL-OALUTQOASA-N 1 0 324.399 4.434 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(C#N)cc1 ZINC000337530885 522841260 /nfs/dbraw/zinc/84/12/60/522841260.db2.gz CYDIBXXQPKABOG-LJQANCHMSA-N 1 0 303.409 4.323 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(F)c(OC)cc21)c1ccc(C#N)cc1 ZINC000338015260 522951091 /nfs/dbraw/zinc/95/10/91/522951091.db2.gz HSVRZYILLQDRQL-MOPGFXCFSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367803247 525525277 /nfs/dbraw/zinc/52/52/77/525525277.db2.gz QVJGICQVDPIXLU-CKJXQJPGSA-N 1 0 320.436 4.301 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1cccc(C#N)c1 ZINC000181525135 525528029 /nfs/dbraw/zinc/52/80/29/525528029.db2.gz AXANTWQWNXODCV-OAHLLOKOSA-N 1 0 321.424 4.125 20 30 DIEDRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000181430719 525540095 /nfs/dbraw/zinc/54/00/95/525540095.db2.gz RNSDFNXGZRKEAO-UWJYYQICSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(C#N)cc1 ZINC000181486342 525546656 /nfs/dbraw/zinc/54/66/56/525546656.db2.gz KMVCELKIAGRMQO-OAHLLOKOSA-N 1 0 321.424 4.125 20 30 DIEDRO COc1ccc2nc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)sc2c1 ZINC000338345986 525666725 /nfs/dbraw/zinc/66/67/25/525666725.db2.gz IWPBFUZHASGESG-LBPRGKRZSA-N 1 0 323.421 4.027 20 30 DIEDRO COc1ccc2nc(C[NH2+][C@H](C)c3ccc(C#N)cc3)sc2c1 ZINC000338345965 525667632 /nfs/dbraw/zinc/66/76/32/525667632.db2.gz IWPBFUZHASGESG-GFCCVEGCSA-N 1 0 323.421 4.027 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000265475202 526043628 /nfs/dbraw/zinc/04/36/28/526043628.db2.gz JZAWKDPGLDJZNS-IIBYNOLFSA-N 1 0 320.436 4.065 20 30 DIEDRO Cn1cc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1C#N ZINC000191310016 527219997 /nfs/dbraw/zinc/21/99/97/527219997.db2.gz QPYSUUKGKJGZHV-LJQANCHMSA-N 1 0 311.404 4.057 20 30 DIEDRO C[C@H](c1ccccc1Br)[N@@H+](C)C[C@@H](C)CCC#N ZINC001560671480 1060498845 /nfs/dbraw/zinc/49/88/45/1060498845.db2.gz GFRHPIKWEUTYQW-QWHCGFSZSA-N 1 0 309.251 4.382 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]CCC(C(F)(F)F)C(F)(F)F ZINC001255645560 1062496906 /nfs/dbraw/zinc/49/69/06/1062496906.db2.gz FSCRLGZNCFTALU-YFKPBYRVSA-N 1 0 305.184 4.048 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c(C)s1 ZINC000035253030 1035644445 /nfs/dbraw/zinc/64/44/45/1035644445.db2.gz FZENJUIYDYCFMT-ZDUSSCGKSA-N 1 0 300.427 4.118 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1c1ccccc1 ZINC000610216076 1035748914 /nfs/dbraw/zinc/74/89/14/1035748914.db2.gz IYYMCWXMWVCDAB-YWZLYKJASA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000610216097 1035753293 /nfs/dbraw/zinc/75/32/93/1035753293.db2.gz LGLXTBMXODATSC-UWJYYQICSA-N 1 0 320.436 4.063 20 30 DIEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000119354624 1035769494 /nfs/dbraw/zinc/76/94/94/1035769494.db2.gz YJCXXLLLTIOUIX-DTWKUNHWSA-N 1 0 307.287 4.115 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@H+](C2CC2)C2CCC(C)CC2)cc1 ZINC001167073054 1035771421 /nfs/dbraw/zinc/77/14/21/1035771421.db2.gz ZCRFQYJCDKKQGW-UHFFFAOYSA-N 1 0 324.468 4.040 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000154331542 1035866454 /nfs/dbraw/zinc/86/64/54/1035866454.db2.gz KGQCSJDLHCISPB-KBPBESRZSA-N 1 0 309.369 4.187 20 30 DIEDRO C[N@H+](Cc1ccc(F)cc1)Cc1cccc(OCCCC#N)c1 ZINC000179646421 1035914618 /nfs/dbraw/zinc/91/46/18/1035914618.db2.gz YFRPBPDKCLFNAP-UHFFFAOYSA-N 1 0 312.388 4.140 20 30 DIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCc2ccccc21 ZINC000179906677 1035993713 /nfs/dbraw/zinc/99/37/13/1035993713.db2.gz LVQGWSHUVQAKCG-OAQYLSRUSA-N 1 0 320.436 4.488 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1 ZINC001209156631 1036036597 /nfs/dbraw/zinc/03/65/97/1036036597.db2.gz FTKZVKHKYFRQQJ-LJQANCHMSA-N 1 0 322.493 4.208 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@]1(C)CC1(Cl)Cl ZINC001167116943 1036111107 /nfs/dbraw/zinc/11/11/07/1036111107.db2.gz YWHYFHJHJBSIAR-HNNXBMFYSA-N 1 0 314.256 4.267 20 30 DIEDRO C=CC[N@@H+](CCCc1scnc1C)Cc1ccccc1F ZINC001167137573 1036171891 /nfs/dbraw/zinc/17/18/91/1036171891.db2.gz BOFFHMPQSABJPF-UHFFFAOYSA-N 1 0 304.434 4.211 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1c1ccccc1 ZINC001209432834 1036173100 /nfs/dbraw/zinc/17/31/00/1036173100.db2.gz KPKAMCMAQGISIL-MOPGFXCFSA-N 1 0 315.457 4.359 20 30 DIEDRO C=CCCCCC[NH+]1CCC(N(C)Cc2ccccc2F)CC1 ZINC001209432702 1036175602 /nfs/dbraw/zinc/17/56/02/1036175602.db2.gz IPHLXZPXRNGPIY-UHFFFAOYSA-N 1 0 318.480 4.468 20 30 DIEDRO C=CCCCCC[NH+]1CCC(N(C)Cc2ccc(F)cc2)CC1 ZINC001209432608 1036176622 /nfs/dbraw/zinc/17/66/22/1036176622.db2.gz HMIFXAGZDYCOMN-UHFFFAOYSA-N 1 0 318.480 4.468 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209437948 1036179650 /nfs/dbraw/zinc/17/96/50/1036179650.db2.gz ABACMLICMALZSY-CABCVRRESA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC001209441137 1036188564 /nfs/dbraw/zinc/18/85/64/1036188564.db2.gz TWFNGRLXNSZGBP-UHFFFAOYSA-N 1 0 320.521 4.284 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001209444190 1036191269 /nfs/dbraw/zinc/19/12/69/1036191269.db2.gz NPKOTWJXUDJWIX-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001167163592 1036229931 /nfs/dbraw/zinc/22/99/31/1036229931.db2.gz IHTGHCOCFAHLRN-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC001167252096 1036327316 /nfs/dbraw/zinc/32/73/16/1036327316.db2.gz SNOKFXBQGQLQKA-IBGZPJMESA-N 1 0 312.457 4.372 20 30 DIEDRO N#Cc1c(F)cccc1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000610279234 1036502939 /nfs/dbraw/zinc/50/29/39/1036502939.db2.gz CVDVYGUIPLUUKX-FQEVSTJZSA-N 1 0 323.415 4.336 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC001648817088 1036576189 /nfs/dbraw/zinc/57/61/89/1036576189.db2.gz URGYISABLCNGCH-DZGCQCFKSA-N 1 0 313.363 4.462 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001648839241 1036619935 /nfs/dbraw/zinc/61/99/35/1036619935.db2.gz LVXOEZKIDUSSFT-HKUYNNGSSA-N 1 0 322.452 4.495 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001648848651 1036630542 /nfs/dbraw/zinc/63/05/42/1036630542.db2.gz WPOZHRHKRGEFIU-PBHICJAKSA-N 1 0 320.864 4.393 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000309423151 1036701261 /nfs/dbraw/zinc/70/12/61/1036701261.db2.gz KAKKOMGWOOOJED-JTQLQIEISA-N 1 0 320.321 4.389 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OCC ZINC000610344900 1036839006 /nfs/dbraw/zinc/83/90/06/1036839006.db2.gz LFNXDPGKRLNJDZ-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1cccc(C#N)c1 ZINC000610345132 1036839398 /nfs/dbraw/zinc/83/93/98/1036839398.db2.gz TYKMTKVXKIHILR-AWEZNQCLSA-N 1 0 306.409 4.123 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1cc(C#N)cs1 ZINC000177683018 1036877782 /nfs/dbraw/zinc/87/77/82/1036877782.db2.gz RFWUJJIWUQLBFZ-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO N#Cc1csc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)c1 ZINC000177693443 1036910030 /nfs/dbraw/zinc/91/00/30/1036910030.db2.gz WNRYUJXNVACWAK-UHFFFAOYSA-N 1 0 321.405 4.097 20 30 DIEDRO C[C@H]1C[C@@H](Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379680252 1037067172 /nfs/dbraw/zinc/06/71/72/1037067172.db2.gz LODXPNXSHICLBW-JXFKEZNVSA-N 1 0 305.425 4.023 20 30 DIEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)cc1 ZINC001167386641 1037092697 /nfs/dbraw/zinc/09/26/97/1037092697.db2.gz IRYQSYRVPUETQK-NRFANRHFSA-N 1 0 304.437 4.382 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001167387045 1037093011 /nfs/dbraw/zinc/09/30/11/1037093011.db2.gz OLFQOODIANMECD-UHFFFAOYSA-N 1 0 315.301 4.387 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000580520774 1037181306 /nfs/dbraw/zinc/18/13/06/1037181306.db2.gz KECJEWPSCQBKFF-AWEZNQCLSA-N 1 0 312.457 4.226 20 30 DIEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000728302544 1037231371 /nfs/dbraw/zinc/23/13/71/1037231371.db2.gz UIRSBWFHCSINQM-ICSRJNTNSA-N 1 0 313.489 4.485 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](CC)C2CC2)cc1OC ZINC001203155693 1037254818 /nfs/dbraw/zinc/25/48/18/1037254818.db2.gz DJWTZNGEBXVGSX-HNNXBMFYSA-N 1 0 309.837 4.192 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001207136079 1037283583 /nfs/dbraw/zinc/28/35/83/1037283583.db2.gz RKYZHGKTLKRDGH-BBRMVZONSA-N 1 0 315.379 4.463 20 30 DIEDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001167433408 1037292413 /nfs/dbraw/zinc/29/24/13/1037292413.db2.gz CRXBKUHAOONFGI-LJQANCHMSA-N 1 0 308.400 4.213 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(OC(F)F)c1 ZINC000177858159 1037348654 /nfs/dbraw/zinc/34/86/54/1037348654.db2.gz OVNWFLYFYBQKAW-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000580951728 1037380524 /nfs/dbraw/zinc/38/05/24/1037380524.db2.gz KHVXTAXAQSXADG-IWMITWMQSA-N 1 0 320.436 4.043 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C1CCC(OC(C)C)CC1 ZINC000130146468 1037440438 /nfs/dbraw/zinc/44/04/38/1037440438.db2.gz CMLVQCQRAORQLO-UHFFFAOYSA-N 1 0 303.446 4.077 20 30 DIEDRO Cc1csc(C[C@@H]2CC[N@H+](CCCCC3(C#N)CCC3)C2)n1 ZINC000933127129 1037512909 /nfs/dbraw/zinc/51/29/09/1037512909.db2.gz WFJQWXABGKTWSX-INIZCTEOSA-N 1 0 317.502 4.180 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)c2cccs2)cc1 ZINC000157818197 1037547103 /nfs/dbraw/zinc/54/71/03/1037547103.db2.gz NCIHMRMGPWLZEX-KBPBESRZSA-N 1 0 300.427 4.232 20 30 DIEDRO Cc1cc(CN(CCC#N)CC(C)C)ccc1Br ZINC001167458749 1037592691 /nfs/dbraw/zinc/59/26/91/1037592691.db2.gz WPSCBXQPKHPHAM-UHFFFAOYSA-N 1 0 309.251 4.129 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC001167464358 1037652446 /nfs/dbraw/zinc/65/24/46/1037652446.db2.gz JYZAJEZTIJXWAC-QFBILLFUSA-N 1 0 320.436 4.253 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc2ccccc2s1 ZINC000754697198 1037714480 /nfs/dbraw/zinc/71/44/80/1037714480.db2.gz AFYDFBTURNWQKJ-ZDUSSCGKSA-N 1 0 307.422 4.213 20 30 DIEDRO C#CCC1([NH2+]Cc2coc(-c3ccc(Cl)cc3)n2)CCC1 ZINC000933302489 1037727016 /nfs/dbraw/zinc/72/70/16/1037727016.db2.gz HJHMEAGIQNZWGE-UHFFFAOYSA-N 1 0 300.789 4.031 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000610511634 1037769133 /nfs/dbraw/zinc/76/91/33/1037769133.db2.gz ULEYEGMCCZAJNZ-GWCFXTLKSA-N 1 0 302.365 4.078 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000610511635 1037769504 /nfs/dbraw/zinc/76/95/04/1037769504.db2.gz ULEYEGMCCZAJNZ-GXFFZTMASA-N 1 0 302.365 4.078 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000477169873 1037820719 /nfs/dbraw/zinc/82/07/19/1037820719.db2.gz KPTPVLNSJRFYSY-HXUWFJFHSA-N 1 0 306.409 4.164 20 30 DIEDRO C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581698613 1037924318 /nfs/dbraw/zinc/92/43/18/1037924318.db2.gz NUTDHHQOEWYBEU-UHFFFAOYSA-N 1 0 304.315 4.209 20 30 DIEDRO CC(C)n1ccc(C[C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)n1 ZINC000341366133 1037926799 /nfs/dbraw/zinc/92/67/99/1037926799.db2.gz XMSWYOXJQWOVRZ-QFBILLFUSA-N 1 0 310.445 4.030 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000602431211 1038005522 /nfs/dbraw/zinc/00/55/22/1038005522.db2.gz CNAFHALRLJOTQP-CABCVRRESA-N 1 0 313.470 4.416 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000602431240 1038006961 /nfs/dbraw/zinc/00/69/61/1038006961.db2.gz CNAFHALRLJOTQP-LSDHHAIUSA-N 1 0 313.470 4.416 20 30 DIEDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602456038 1038010883 /nfs/dbraw/zinc/01/08/83/1038010883.db2.gz ZLVDRYWVGZSIIB-CRAIPNDOSA-N 1 0 310.445 4.133 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000602456672 1038013643 /nfs/dbraw/zinc/01/36/43/1038013643.db2.gz CEJBLKLONOLORV-DOTOQJQBSA-N 1 0 324.428 4.203 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000602482839 1038016874 /nfs/dbraw/zinc/01/68/74/1038016874.db2.gz GUYYDWNDLKSNPE-LSDHHAIUSA-N 1 0 317.502 4.141 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000581847249 1038023306 /nfs/dbraw/zinc/02/33/06/1038023306.db2.gz BAYXBWGWDMOESJ-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO N#CC1CCC([NH2+]CCOc2cccc(Cl)c2Cl)CC1 ZINC000602519834 1038024338 /nfs/dbraw/zinc/02/43/38/1038024338.db2.gz BOCWEKILRSWVMJ-UHFFFAOYSA-N 1 0 313.228 4.044 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000602499663 1038025930 /nfs/dbraw/zinc/02/59/30/1038025930.db2.gz RVAXGIDNKQIMIB-MAUKXSAKSA-N 1 0 319.880 4.006 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000602514715 1038026703 /nfs/dbraw/zinc/02/67/03/1038026703.db2.gz UNKSRKXPYMTEIB-ZJPYXAASSA-N 1 0 304.478 4.034 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC(C)(C)c1ccccc1 ZINC000602522921 1038028403 /nfs/dbraw/zinc/02/84/03/1038028403.db2.gz VRSNXLXGDWCWLE-QGZVFWFLSA-N 1 0 314.473 4.043 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000602511319 1038029988 /nfs/dbraw/zinc/02/99/88/1038029988.db2.gz PVRISNRMVVQSDI-GOSISDBHSA-N 1 0 322.452 4.433 20 30 DIEDRO CC(C)(C)OCc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602525659 1038033051 /nfs/dbraw/zinc/03/30/51/1038033051.db2.gz HCSCJRQXXOMORD-UHFFFAOYSA-N 1 0 300.446 4.174 20 30 DIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]C2CCC(C#N)CC2)ccn1 ZINC000602547900 1038034448 /nfs/dbraw/zinc/03/44/48/1038034448.db2.gz ULJGOVJURLNUFP-HJOIGYKYSA-N 1 0 315.461 4.067 20 30 DIEDRO COCCSc1ccc([C@@H](C)[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602537534 1038037778 /nfs/dbraw/zinc/03/77/78/1038037778.db2.gz DWUJMGVPFLHBIW-HPUBIQBYSA-N 1 0 318.486 4.158 20 30 DIEDRO 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/nfs/dbraw/zinc/31/69/54/1038316954.db2.gz UNPAYXPKVBQZDU-CVEARBPZSA-N 1 0 322.493 4.006 20 30 DIEDRO Cc1cc(Cl)ccc1C1=CC[N@H+](CCCSCC#N)CC1 ZINC000599618842 1038318883 /nfs/dbraw/zinc/31/88/83/1038318883.db2.gz FHRJBQDVCFYXMR-UHFFFAOYSA-N 1 0 320.889 4.384 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599633852 1038325486 /nfs/dbraw/zinc/32/54/86/1038325486.db2.gz AGLVWSDQLWFYBQ-UHFFFAOYSA-N 1 0 310.363 4.393 20 30 DIEDRO Cc1cccc([C@@H]([NH2+]CCCC2(C#N)CCOCC2)C(C)C)c1 ZINC000599630537 1038326024 /nfs/dbraw/zinc/32/60/24/1038326024.db2.gz RZNIGCYBLNAZTE-IBGZPJMESA-N 1 0 314.473 4.382 20 30 DIEDRO Cc1cccc([C@H]([NH2+]CCCC2(C#N)CCOCC2)C(C)C)c1 ZINC000599630540 1038326731 /nfs/dbraw/zinc/32/67/31/1038326731.db2.gz RZNIGCYBLNAZTE-LJQANCHMSA-N 1 0 314.473 4.382 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)Oc2ccccc2)cc1 ZINC000604079888 1038353641 /nfs/dbraw/zinc/35/36/41/1038353641.db2.gz NMHWOZVHRQXRGN-UHFFFAOYSA-N 1 0 311.425 4.199 20 30 DIEDRO CC(C)C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000610813212 1038363054 /nfs/dbraw/zinc/36/30/54/1038363054.db2.gz ACZCZNOQLPVNLP-GOSISDBHSA-N 1 0 319.880 4.005 20 30 DIEDRO CC(C)C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000610813213 1038363189 /nfs/dbraw/zinc/36/31/89/1038363189.db2.gz ACZCZNOQLPVNLP-SFHVURJKSA-N 1 0 319.880 4.005 20 30 DIEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610830079 1038372850 /nfs/dbraw/zinc/37/28/50/1038372850.db2.gz CKUIRUPIDADAOH-HUUCEWRRSA-N 1 0 323.396 4.138 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCc2sccc2C1 ZINC000610859420 1038382193 /nfs/dbraw/zinc/38/21/93/1038382193.db2.gz GQULDVGGOLJTHK-UHFFFAOYSA-N 1 0 310.466 4.498 20 30 DIEDRO C[C@@]1(F)CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000535840052 1038392966 /nfs/dbraw/zinc/39/29/66/1038392966.db2.gz SZUCJXZOFOWEBQ-HXUWFJFHSA-N 1 0 324.399 4.071 20 30 DIEDRO CC1(C)C[C@@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000604282924 1038397611 /nfs/dbraw/zinc/39/76/11/1038397611.db2.gz IRFWUNDTVOZHIQ-IBGZPJMESA-N 1 0 306.409 4.025 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000610946733 1038404581 /nfs/dbraw/zinc/40/45/81/1038404581.db2.gz YVTVMSPMWBKCKK-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000610947100 1038406091 /nfs/dbraw/zinc/40/60/91/1038406091.db2.gz NOXQBDWEQBSGOY-OCCSQVGLSA-N 1 0 314.326 4.156 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610993844 1038421380 /nfs/dbraw/zinc/42/13/80/1038421380.db2.gz KHFDWKGRRZPYDV-WOJBJXKFSA-N 1 0 305.425 4.030 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610992127 1038422134 /nfs/dbraw/zinc/42/21/34/1038422134.db2.gz BTUQZOHHFRPAIR-VQTJNVASSA-N 1 0 305.425 4.111 20 30 DIEDRO C=CC[NH+]1CCC(NC(=O)N(CCCC)[C@@H](C)CCCC)CC1 ZINC000458348811 1038425256 /nfs/dbraw/zinc/42/52/56/1038425256.db2.gz ZQGHIRUYRKBQGY-KRWDZBQOSA-N 1 0 323.525 4.027 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)ccn1 ZINC000610994674 1038425945 /nfs/dbraw/zinc/42/59/45/1038425945.db2.gz MJQONWHLZYMDCX-ZJVMWOEPSA-N 1 0 317.436 4.411 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)ccn1 ZINC000610994079 1038426107 /nfs/dbraw/zinc/42/61/07/1038426107.db2.gz LJUOUXVSBKAKLT-NRFANRHFSA-N 1 0 313.404 4.027 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000604892988 1038458595 /nfs/dbraw/zinc/45/85/95/1038458595.db2.gz WHDHVTNHMCRTGX-INIZCTEOSA-N 1 0 309.457 4.279 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000604892831 1038463433 /nfs/dbraw/zinc/46/34/33/1038463433.db2.gz DFYVMQLCIKIUHS-ZDUSSCGKSA-N 1 0 317.864 4.256 20 30 DIEDRO C[C@@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000538394562 1038468728 /nfs/dbraw/zinc/46/87/28/1038468728.db2.gz FWQDTKCNIMHNIM-OAHLLOKOSA-N 1 0 308.400 4.371 20 30 DIEDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000538408100 1038469376 /nfs/dbraw/zinc/46/93/76/1038469376.db2.gz RPSKTSRTCLGUGS-HNNXBMFYSA-N 1 0 323.396 4.140 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000048747919 1038476995 /nfs/dbraw/zinc/47/69/95/1038476995.db2.gz MRFJTNCNLSLVMX-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000342217268 1038481420 /nfs/dbraw/zinc/48/14/20/1038481420.db2.gz FQVKKSYKIDXNQL-HZPDHXFCSA-N 1 0 313.363 4.481 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(C)(C)O)c1ccc(C(F)(F)F)cc1 ZINC000342224951 1038484518 /nfs/dbraw/zinc/48/45/18/1038484518.db2.gz OJMHSQDBNGMTAI-CQSZACIVSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(O)CCCCCC2)cc1Cl ZINC000605165407 1038491896 /nfs/dbraw/zinc/49/18/96/1038491896.db2.gz ZTIYSQIJUCSIMA-UHFFFAOYSA-N 1 0 323.864 4.080 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000926344121 1038499618 /nfs/dbraw/zinc/49/96/18/1038499618.db2.gz VCTAQNHHDILHCB-SUNKGSAMSA-N 1 0 319.392 4.399 20 30 DIEDRO CCC[C@](C)([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000934180535 1038500677 /nfs/dbraw/zinc/50/06/77/1038500677.db2.gz RVOGWCWFUYODKE-IBGZPJMESA-N 1 0 314.473 4.392 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000605323129 1038507180 /nfs/dbraw/zinc/50/71/80/1038507180.db2.gz INNFHHWHYMUDRV-HKUYNNGSSA-N 1 0 317.473 4.182 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c1 ZINC000605323237 1038507348 /nfs/dbraw/zinc/50/73/48/1038507348.db2.gz NTMXLDLWAUUGQC-HKUYNNGSSA-N 1 0 317.473 4.182 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C(C)(C)C ZINC000539081762 1038519396 /nfs/dbraw/zinc/51/93/96/1038519396.db2.gz UDUDZXROFMUJDD-ODIFPOPNSA-N 1 0 300.446 4.272 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCCc3ccc(C)cc32)ccc1C#N ZINC000342298418 1038521538 /nfs/dbraw/zinc/52/15/38/1038521538.db2.gz AGQHMPPFXYYHNS-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO Cc1ccc([C@H](C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000119692860 1038532978 /nfs/dbraw/zinc/53/29/78/1038532978.db2.gz ASBOPXPLMNCVOM-SJORKVTESA-N 1 0 308.425 4.179 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000071953179 1038537655 /nfs/dbraw/zinc/53/76/55/1038537655.db2.gz UZCIILANLWCZRJ-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC000539224299 1038542877 /nfs/dbraw/zinc/54/28/77/1038542877.db2.gz BHIIPKXTAHOHTA-MRXNPFEDSA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC001167516945 1038542942 /nfs/dbraw/zinc/54/29/42/1038542942.db2.gz LDLKFKUNLCTMEE-HXUWFJFHSA-N 1 0 322.452 4.280 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000161129290 1038567310 /nfs/dbraw/zinc/56/73/10/1038567310.db2.gz MNTCMRDKNJBPDI-AWEZNQCLSA-N 1 0 314.816 4.263 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2cccc(Cl)c2Cl)s1 ZINC000539461766 1038569690 /nfs/dbraw/zinc/56/96/90/1038569690.db2.gz YPHLCPWPSMEOFX-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000540355130 1038616999 /nfs/dbraw/zinc/61/69/99/1038616999.db2.gz WSKNFWJYOBIYQS-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC001167558526 1038621231 /nfs/dbraw/zinc/62/12/31/1038621231.db2.gz OGYIBYPVZSOQDI-ROUUACIJSA-N 1 0 300.471 4.035 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cc4ccccc4o3)CCC2)cc1 ZINC000594031885 1038622420 /nfs/dbraw/zinc/62/24/20/1038622420.db2.gz MZPKYFNQMHFTKV-UHFFFAOYSA-N 1 0 302.377 4.473 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)c1cccc(C#N)c1 ZINC000540594328 1038628739 /nfs/dbraw/zinc/62/87/39/1038628739.db2.gz RCUPJTDVNHLCSL-AUUYWEPGSA-N 1 0 308.450 4.239 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CC3CCC(F)(F)CC3)CCC2)cc1 ZINC000594035044 1038630237 /nfs/dbraw/zinc/63/02/37/1038630237.db2.gz KLJNEUKAKAJQGA-UHFFFAOYSA-N 1 0 304.384 4.353 20 30 DIEDRO C=CCCCCC[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000606902674 1038638254 /nfs/dbraw/zinc/63/82/54/1038638254.db2.gz OKPFJORFDCEBNQ-UHFFFAOYSA-N 1 0 308.853 4.347 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000582383583 1038645157 /nfs/dbraw/zinc/64/51/57/1038645157.db2.gz GHKBAENKQTWIMR-UHFFFAOYSA-N 1 0 300.446 4.380 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(F)(F)CC2)c(C(F)(F)F)c1 ZINC000582389435 1038651018 /nfs/dbraw/zinc/65/10/18/1038651018.db2.gz LCURBOGSQQGBTF-UHFFFAOYSA-N 1 0 318.289 4.245 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H](CC)C2)cc(OC)c1O ZINC000607168224 1038660886 /nfs/dbraw/zinc/66/08/86/1038660886.db2.gz RXCYOKQFLBOREF-RHSMWYFYSA-N 1 0 303.446 4.188 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000158707667 1038667367 /nfs/dbraw/zinc/66/73/67/1038667367.db2.gz KJIOQGBOICCSQA-IBGZPJMESA-N 1 0 307.441 4.223 20 30 DIEDRO CC[N@H+](Cc1cccc2c[nH]nc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000119859977 1038681258 /nfs/dbraw/zinc/68/12/58/1038681258.db2.gz UTQXAVXFGTVYMW-AWEZNQCLSA-N 1 0 304.397 4.018 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(SC)cc1)Cc1cccc(C#N)c1 ZINC000063300637 1038691123 /nfs/dbraw/zinc/69/11/23/1038691123.db2.gz DVNBIFOOKKEZGX-UHFFFAOYSA-N 1 0 308.450 4.468 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000479447008 1038708344 /nfs/dbraw/zinc/70/83/44/1038708344.db2.gz BOMPEAXPBYYQLR-CKJXQJPGSA-N 1 0 320.436 4.301 20 30 DIEDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000562088714 1038712771 /nfs/dbraw/zinc/71/27/71/1038712771.db2.gz IBVVYLSPENXDBO-OREJSRFESA-N 1 0 302.421 4.459 20 30 DIEDRO C=CC[N@H+](C/C=C/c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381154 1038715965 /nfs/dbraw/zinc/71/59/65/1038715965.db2.gz IUKKIIIQOQUELF-YRNVUSSQSA-N 1 0 308.381 4.296 20 30 DIEDRO C=CCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000342722800 1038740250 /nfs/dbraw/zinc/74/02/50/1038740250.db2.gz PIJAQMHCXANYAE-UHFFFAOYSA-N 1 0 312.200 4.051 20 30 DIEDRO CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(Cl)c1 ZINC000342728431 1038749437 /nfs/dbraw/zinc/74/94/37/1038749437.db2.gz MSBCCSLGJYNENK-KRWDZBQOSA-N 1 0 324.815 4.100 20 30 DIEDRO C=CCC[N@@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000342741378 1038754376 /nfs/dbraw/zinc/75/43/76/1038754376.db2.gz UVRVRSOOODOSML-UHFFFAOYSA-N 1 0 312.200 4.051 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000657531134 1038764879 /nfs/dbraw/zinc/76/48/79/1038764879.db2.gz XFWCYOPKALAXKU-GOEBONIOSA-N 1 0 313.470 4.430 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000657531136 1038765207 /nfs/dbraw/zinc/76/52/07/1038765207.db2.gz XFWCYOPKALAXKU-ZBFHGGJFSA-N 1 0 313.470 4.430 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CCOCC1 ZINC000091412300 1038765215 /nfs/dbraw/zinc/76/52/15/1038765215.db2.gz CWIWKOIAFSJHOW-MRXNPFEDSA-N 1 0 320.436 4.130 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000657531414 1038765617 /nfs/dbraw/zinc/76/56/17/1038765617.db2.gz YPNPZJALLMCVRR-VNQPRFMTSA-N 1 0 306.475 4.219 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2c[nH]nc2-c2cccnc2)CCCC1 ZINC000657567721 1038846083 /nfs/dbraw/zinc/84/60/83/1038846083.db2.gz WXHJDIJUEPKPLJ-UHFFFAOYSA-N 1 0 310.445 4.088 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000076734076 1038853723 /nfs/dbraw/zinc/85/37/23/1038853723.db2.gz CPHRSQYSOWNMOG-GFCCVEGCSA-N 1 0 305.809 4.349 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000755224203 1038858688 /nfs/dbraw/zinc/85/86/88/1038858688.db2.gz YNHHEXHDYFSMEO-QWHCGFSZSA-N 1 0 314.351 4.188 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C(C)C)cc1 ZINC000174249144 1038909559 /nfs/dbraw/zinc/90/95/59/1038909559.db2.gz UEYWAIKSDOTUMP-HXUWFJFHSA-N 1 0 324.424 4.062 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)cc1C#N ZINC000174302378 1038919599 /nfs/dbraw/zinc/91/95/99/1038919599.db2.gz LJEQQUBNZLBSPV-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(Cl)c2)cc1C#N ZINC000174415884 1038934294 /nfs/dbraw/zinc/93/42/94/1038934294.db2.gz PKDFBLHFCAXVQW-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000608860496 1038938004 /nfs/dbraw/zinc/93/80/04/1038938004.db2.gz QSHABQOIXWJRPV-HKUYNNGSSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@]2(C)CC2(F)F)cc1Cl ZINC000657666505 1038970059 /nfs/dbraw/zinc/97/00/59/1038970059.db2.gz SZDIPLVNYFJMRH-CQSZACIVSA-N 1 0 301.764 4.040 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ccccc2C#N)cc1 ZINC001167637334 1039029962 /nfs/dbraw/zinc/02/99/62/1039029962.db2.gz SZBFDBOYRIWXJK-NRFANRHFSA-N 1 0 317.436 4.493 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000091514053 1039052992 /nfs/dbraw/zinc/05/29/92/1039052992.db2.gz SAEIUHBFJZRGSY-INIZCTEOSA-N 1 0 315.461 4.017 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2CCC3(CC3(F)F)CC2)c1 ZINC000657716742 1039086825 /nfs/dbraw/zinc/08/68/25/1039086825.db2.gz UDZJTNOYRODZOW-UHFFFAOYSA-N 1 0 307.384 4.309 20 30 DIEDRO C=CCOc1ccccc1CN[C@H](C)c1cccnc1Cl ZINC000161502574 1039105923 /nfs/dbraw/zinc/10/59/23/1039105923.db2.gz IDLBJUSJUODOMU-CYBMUJFWSA-N 1 0 302.805 4.151 20 30 DIEDRO COc1cccc(C2=CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442675024 1039111902 /nfs/dbraw/zinc/11/19/02/1039111902.db2.gz AYJSUFYJMPKTGT-INIZCTEOSA-N 1 0 318.420 4.417 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@@H+](CCCCCOc1ccccc1)C2 ZINC000594610301 1039119201 /nfs/dbraw/zinc/11/92/01/1039119201.db2.gz AWBDRUPPTYEGLT-UHFFFAOYSA-N 1 0 306.409 4.123 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000442693494 1039123654 /nfs/dbraw/zinc/12/36/54/1039123654.db2.gz PFHYKUTWJXIKNT-CRAIPNDOSA-N 1 0 308.400 4.323 20 30 DIEDRO CC(C)(C)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609433196 1039134194 /nfs/dbraw/zinc/13/41/94/1039134194.db2.gz GKPGUNVTKDFZIS-UHFFFAOYSA-N 1 0 308.425 4.273 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000386102839 1039237162 /nfs/dbraw/zinc/23/71/62/1039237162.db2.gz OERSFHSZYHOBDB-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO C=CCCC[C@H](C)[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000091622924 1039242118 /nfs/dbraw/zinc/24/21/18/1039242118.db2.gz MFFNMYXHZMQYSY-KRWDZBQOSA-N 1 0 302.462 4.309 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2cccc(C#N)c2F)C2CC2)ccc1F ZINC000539424739 1039259246 /nfs/dbraw/zinc/25/92/46/1039259246.db2.gz MYUDXSQODYWWHR-IBGZPJMESA-N 1 0 312.363 4.386 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000539494995 1039269159 /nfs/dbraw/zinc/26/91/59/1039269159.db2.gz BFDIIJHLUXZGOF-OLZOCXBDSA-N 1 0 300.352 4.291 20 30 DIEDRO CSc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000539495485 1039270317 /nfs/dbraw/zinc/27/03/17/1039270317.db2.gz SWYSSIWGPKOMGM-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1F)c1cccc(C#N)c1 ZINC000539500280 1039275612 /nfs/dbraw/zinc/27/56/12/1039275612.db2.gz XUFNWHWGWCLHGB-CQSZACIVSA-N 1 0 314.429 4.281 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1Cl ZINC000539499340 1039275893 /nfs/dbraw/zinc/27/58/93/1039275893.db2.gz NWIJPSZMCHWKGO-UHFFFAOYSA-N 1 0 322.836 4.480 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000539513831 1039279813 /nfs/dbraw/zinc/27/98/13/1039279813.db2.gz JSLGOKYJXMNQCC-IBGZPJMESA-N 1 0 316.404 4.267 20 30 DIEDRO N#CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000926482010 1039287098 /nfs/dbraw/zinc/28/70/98/1039287098.db2.gz WSRFJUODCYZXSZ-HQSKLWIPSA-N 1 0 300.471 4.438 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000539569663 1039293844 /nfs/dbraw/zinc/29/38/44/1039293844.db2.gz MYOLJAQCHDEHRC-CYBMUJFWSA-N 1 0 308.828 4.426 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000539610098 1039301712 /nfs/dbraw/zinc/30/17/12/1039301712.db2.gz PUAGUQJPERWVOS-JSGCOSHPSA-N 1 0 300.377 4.271 20 30 DIEDRO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)CC2(C#N)CC2)C(C)(C)O1 ZINC000539763443 1039332340 /nfs/dbraw/zinc/33/23/40/1039332340.db2.gz PGHQUPUOMZDECM-QGZVFWFLSA-N 1 0 312.457 4.138 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](COCC)C2)cc1Cl ZINC000539826451 1039354926 /nfs/dbraw/zinc/35/49/26/1039354926.db2.gz SAIRFEDDRSLWKF-INIZCTEOSA-N 1 0 323.864 4.153 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000278295631 1039361964 /nfs/dbraw/zinc/36/19/64/1039361964.db2.gz RHKLYVBUWYADHU-KRWDZBQOSA-N 1 0 316.351 4.401 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000539830849 1039362287 /nfs/dbraw/zinc/36/22/87/1039362287.db2.gz ZBEPNPLTXFZMBR-INIZCTEOSA-N 1 0 311.425 4.020 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000539837487 1039365382 /nfs/dbraw/zinc/36/53/82/1039365382.db2.gz FVHFGRAAWOTINX-UHFFFAOYSA-N 1 0 317.351 4.034 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000449729341 1039400098 /nfs/dbraw/zinc/40/00/98/1039400098.db2.gz ANMUNJLLZRLPBL-UHFFFAOYSA-N 1 0 302.443 4.086 20 30 DIEDRO N#CC1CCN(Cc2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC000157168896 1039400265 /nfs/dbraw/zinc/40/02/65/1039400265.db2.gz GAAZKAIXKPWBDP-UHFFFAOYSA-N 1 0 310.372 4.354 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1ccc(C#N)cc1 ZINC000278361139 1039413712 /nfs/dbraw/zinc/41/37/12/1039413712.db2.gz BLCCTOPSDHPOPD-CEXWTWQISA-N 1 0 300.446 4.050 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000540159335 1039429201 /nfs/dbraw/zinc/42/92/01/1039429201.db2.gz CAWMWVGBXFLAHE-NSHDSACASA-N 1 0 319.779 4.185 20 30 DIEDRO C=CCCOCC[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000540317277 1039473782 /nfs/dbraw/zinc/47/37/82/1039473782.db2.gz JRQQRAHZNXWNSE-IBGZPJMESA-N 1 0 303.446 4.109 20 30 DIEDRO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000157839754 1039475347 /nfs/dbraw/zinc/47/53/47/1039475347.db2.gz SUMPFLHVLFDXOJ-OAHLLOKOSA-N 1 0 313.470 4.291 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000540396353 1039485831 /nfs/dbraw/zinc/48/58/31/1039485831.db2.gz OICMGLLQNKHKII-XJKSGUPXSA-N 1 0 315.379 4.177 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000540396130 1039489477 /nfs/dbraw/zinc/48/94/77/1039489477.db2.gz BCCFFLCGIQDDOT-YWZLYKJASA-N 1 0 313.441 4.074 20 30 DIEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000317936839 1039507974 /nfs/dbraw/zinc/50/79/74/1039507974.db2.gz OCDWTEFENSZSQP-IPELMVKDSA-N 1 0 300.446 4.454 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C2CC2)ccc1F ZINC000540520049 1039510026 /nfs/dbraw/zinc/51/00/26/1039510026.db2.gz HNWCDKCLNABFBR-IBGZPJMESA-N 1 0 312.363 4.386 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCCOC2CCCCC2)s1 ZINC000540592186 1039521524 /nfs/dbraw/zinc/52/15/24/1039521524.db2.gz UUXPBTGRVKUWTQ-UHFFFAOYSA-N 1 0 306.475 4.229 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000540604944 1039526167 /nfs/dbraw/zinc/52/61/67/1039526167.db2.gz DTDDQAXYWSQQJL-TYILLQQXSA-N 1 0 312.388 4.124 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2ccc(C#N)s2)C2CC2)ccc1F ZINC000540628699 1039532902 /nfs/dbraw/zinc/53/29/02/1039532902.db2.gz ZSYJZPVPMRRDRO-QGZVFWFLSA-N 1 0 300.402 4.308 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2cc3ccccc3o2)C(C)C)CC1 ZINC000540645288 1039537777 /nfs/dbraw/zinc/53/77/77/1039537777.db2.gz LPDMVXPBGIILJO-HXUWFJFHSA-N 1 0 312.457 4.370 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540708593 1039544606 /nfs/dbraw/zinc/54/46/06/1039544606.db2.gz OYQVTAMGLLTYJT-JCURWCKSSA-N 1 0 306.450 4.412 20 30 DIEDRO Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540708472 1039544959 /nfs/dbraw/zinc/54/49/59/1039544959.db2.gz WWKKIHTUZMLZFT-HUUCEWRRSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000540705542 1039546233 /nfs/dbraw/zinc/54/62/33/1039546233.db2.gz MPJMQIGNOAXSOD-RYUDHWBXSA-N 1 0 318.342 4.430 20 30 DIEDRO C[N@@H+]1CCC[C@H]1CCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000541073878 1039616097 /nfs/dbraw/zinc/61/60/97/1039616097.db2.gz LLUSWFVMRASKRN-LBPRGKRZSA-N 1 0 314.376 4.153 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000657830268 1039617260 /nfs/dbraw/zinc/61/72/60/1039617260.db2.gz GLENICQMCPNQRZ-FXAWDEMLSA-N 1 0 309.457 4.156 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464093546 1039645883 /nfs/dbraw/zinc/64/58/83/1039645883.db2.gz HILHRBAMYUGQFG-UXHICEINSA-N 1 0 312.501 4.199 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000278688733 1039649634 /nfs/dbraw/zinc/64/96/34/1039649634.db2.gz KIOIVJHMMWGGMK-QYZOEREBSA-N 1 0 300.446 4.193 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC000541320523 1039665893 /nfs/dbraw/zinc/66/58/93/1039665893.db2.gz YHNURPORSYBZAD-YWZLYKJASA-N 1 0 306.409 4.150 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000541326053 1039666495 /nfs/dbraw/zinc/66/64/95/1039666495.db2.gz SXBDZHFJVDGBKK-VLIAUNLRSA-N 1 0 324.399 4.289 20 30 DIEDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@H](C)CO1 ZINC000541349758 1039671113 /nfs/dbraw/zinc/67/11/13/1039671113.db2.gz RMUUMOHACDPMNM-UTKZUKDTSA-N 1 0 320.436 4.023 20 30 DIEDRO CC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(C#N)cc1 ZINC000278725380 1039678262 /nfs/dbraw/zinc/67/82/62/1039678262.db2.gz MJOSCYMJHNVZRC-WOJBJXKFSA-N 1 0 308.425 4.113 20 30 DIEDRO N#CCCC[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000541568068 1039707925 /nfs/dbraw/zinc/70/79/25/1039707925.db2.gz AYEZUVLGWNGVCR-UHFFFAOYSA-N 1 0 314.379 4.012 20 30 DIEDRO N#CCCCC[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000609140474 1039750675 /nfs/dbraw/zinc/75/06/75/1039750675.db2.gz GAGZRNPDFSWWII-UHFFFAOYSA-N 1 0 312.388 4.188 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(CC#N)CC1 ZINC000541919265 1039760438 /nfs/dbraw/zinc/76/04/38/1039760438.db2.gz JJAJGQKVIXQLGW-UHFFFAOYSA-N 1 0 322.456 4.121 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000464791023 1039760827 /nfs/dbraw/zinc/76/08/27/1039760827.db2.gz RNKMVXMGGQKMQN-HXUWFJFHSA-N 1 0 310.416 4.396 20 30 DIEDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)CC2 ZINC000090665662 1039810807 /nfs/dbraw/zinc/81/08/07/1039810807.db2.gz WCBDGUMPLXKJKU-FPOVZHCZSA-N 1 0 320.436 4.187 20 30 DIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1 ZINC000271896556 1039871054 /nfs/dbraw/zinc/87/10/54/1039871054.db2.gz ULHGTRZILKZFFA-OXJNMPFZSA-N 1 0 322.452 4.011 20 30 DIEDRO C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611870458 1039876162 /nfs/dbraw/zinc/87/61/62/1039876162.db2.gz OGSTWAATQXVDMR-IAGOWNOFSA-N 1 0 322.452 4.427 20 30 DIEDRO COC[C@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C1CC1 ZINC000611870387 1039876967 /nfs/dbraw/zinc/87/69/67/1039876967.db2.gz KEIHGCGFWGYCTK-VFNWGFHPSA-N 1 0 320.436 4.301 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000271938935 1039909303 /nfs/dbraw/zinc/90/93/03/1039909303.db2.gz KZXMXTWGSFPBTP-SCLBCKFNSA-N 1 0 310.372 4.262 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271961628 1039923882 /nfs/dbraw/zinc/92/38/82/1039923882.db2.gz RHJBVCGABBKRLV-YJYMSZOUSA-N 1 0 324.399 4.434 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)ccc1C#N ZINC000443966917 1039985892 /nfs/dbraw/zinc/98/58/92/1039985892.db2.gz OMJBYJPGKYHBCR-GOSISDBHSA-N 1 0 310.372 4.009 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)ccc1C#N ZINC000443977323 1039991271 /nfs/dbraw/zinc/99/12/71/1039991271.db2.gz HYCRCYADHYFYEC-UHFFFAOYSA-N 1 0 322.305 4.314 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCCSCC#N ZINC000175438384 1040032810 /nfs/dbraw/zinc/03/28/10/1040032810.db2.gz VJQLJSCXKQKZDB-KBPBESRZSA-N 1 0 310.894 4.411 20 30 DIEDRO CO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000611941992 1040103985 /nfs/dbraw/zinc/10/39/85/1040103985.db2.gz NVYZSOFAAYHQIO-HXUWFJFHSA-N 1 0 320.436 4.226 20 30 DIEDRO CC(C)C(C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)C(C)C ZINC000597210716 1040125279 /nfs/dbraw/zinc/12/52/79/1040125279.db2.gz ICDJQCJYFVZGFO-UHFFFAOYSA-N 1 0 314.473 4.082 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000657929670 1040184670 /nfs/dbraw/zinc/18/46/70/1040184670.db2.gz UEKRTRLXEQRDNO-IKGGRYGDSA-N 1 0 309.519 4.156 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000657931311 1040190266 /nfs/dbraw/zinc/19/02/66/1040190266.db2.gz HGUISZVTIUWYNP-NEWSRXKRSA-N 1 0 312.457 4.209 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000658028643 1040265732 /nfs/dbraw/zinc/26/57/32/1040265732.db2.gz KXKSBJAYLYKOBZ-VXIBKDFQSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000658028357 1040267058 /nfs/dbraw/zinc/26/70/58/1040267058.db2.gz CUZOUOXJMWTMAT-YSHGAJCASA-N 1 0 300.446 4.026 20 30 DIEDRO C=CCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000658113220 1040307776 /nfs/dbraw/zinc/30/77/76/1040307776.db2.gz FHFFJCIZBQAXSL-MRXNPFEDSA-N 1 0 324.262 4.083 20 30 DIEDRO C=CCC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000658116053 1040309085 /nfs/dbraw/zinc/30/90/85/1040309085.db2.gz GLKMAINHPFHVHG-GDBMZVCRSA-N 1 0 307.409 4.000 20 30 DIEDRO CCS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000176983334 1040312088 /nfs/dbraw/zinc/31/20/88/1040312088.db2.gz XOSWRTJJVLFGJV-QILLFSRXSA-N 1 0 318.486 4.131 20 30 DIEDRO CCCCCCCCC[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001167684447 1040397727 /nfs/dbraw/zinc/39/77/27/1040397727.db2.gz GNUGRFLOUHQMOH-IRXDYDNUSA-N 1 0 317.539 4.025 20 30 DIEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000658334504 1040428713 /nfs/dbraw/zinc/42/87/13/1040428713.db2.gz KVJSMGMAZKDAME-GPMSIDNRSA-N 1 0 311.425 4.024 20 30 DIEDRO CC1([NH2+]Cc2cccc(OCCCC#N)c2)CCC(F)(F)CC1 ZINC000612192028 1040492769 /nfs/dbraw/zinc/49/27/69/1040492769.db2.gz KDWSAIPIJCXOKW-UHFFFAOYSA-N 1 0 322.399 4.427 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc2cccnc2c1)c1ccc(C#N)cc1F ZINC000612204241 1040502048 /nfs/dbraw/zinc/50/20/48/1040502048.db2.gz RCBVHHSCEHLEGE-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000091963306 1040502677 /nfs/dbraw/zinc/50/26/77/1040502677.db2.gz KXTKTXSSAVNODN-SJORKVTESA-N 1 0 318.461 4.278 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179666967 1040519118 /nfs/dbraw/zinc/51/91/18/1040519118.db2.gz YZDBECVFZBLSCM-OAHLLOKOSA-N 1 0 324.424 4.205 20 30 DIEDRO CC[C@@H](C)[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000179695163 1040525241 /nfs/dbraw/zinc/52/52/41/1040525241.db2.gz NJNCIGJJGFRZIG-MRXNPFEDSA-N 1 0 318.424 4.007 20 30 DIEDRO N#CCc1ccc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)cc1 ZINC000569928384 1040586288 /nfs/dbraw/zinc/58/62/88/1040586288.db2.gz OFVCEEYREKZKPX-UHFFFAOYSA-N 1 0 312.363 4.067 20 30 DIEDRO CS[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000612419655 1040589657 /nfs/dbraw/zinc/58/96/57/1040589657.db2.gz DKTOEGUQXSOHRE-IAGOWNOFSA-N 1 0 302.487 4.303 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000318401961 1040612945 /nfs/dbraw/zinc/61/29/45/1040612945.db2.gz JKFQPRDLUSARNC-KZNAEPCWSA-N 1 0 306.494 4.112 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000782637298 1040688060 /nfs/dbraw/zinc/68/80/60/1040688060.db2.gz QLYFMKXBZSQJFN-UHFFFAOYSA-N 1 0 318.848 4.399 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000570415522 1040717858 /nfs/dbraw/zinc/71/78/58/1040717858.db2.gz TWBROODBBLLMBE-MRXNPFEDSA-N 1 0 321.346 4.293 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)s1 ZINC000180045270 1040727880 /nfs/dbraw/zinc/72/78/80/1040727880.db2.gz UKYBEVKDZFXEPK-UHFFFAOYSA-N 1 0 319.433 4.390 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000661379021 1040776344 /nfs/dbraw/zinc/77/63/44/1040776344.db2.gz QRORRJZFBMMAHL-STQMWFEESA-N 1 0 303.431 4.147 20 30 DIEDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3ccnc(C#N)c3)C2)cc1 ZINC000613130350 1040796936 /nfs/dbraw/zinc/79/69/36/1040796936.db2.gz NWDNSQSJSPTKGZ-IBGZPJMESA-N 1 0 319.452 4.141 20 30 DIEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC(C)(C)C#N ZINC000613145713 1040799150 /nfs/dbraw/zinc/79/91/50/1040799150.db2.gz BQIWJALHXYHJPT-OAHLLOKOSA-N 1 0 323.278 4.300 20 30 DIEDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000480656760 1040806260 /nfs/dbraw/zinc/80/62/60/1040806260.db2.gz CLKKNTMVYDXVHM-QWRGUYRKSA-N 1 0 302.315 4.469 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCc2cccc(Br)c2)C1 ZINC000613254379 1040844049 /nfs/dbraw/zinc/84/40/49/1040844049.db2.gz IDOOKWKIVJPAMG-HOCLYGCPSA-N 1 0 321.262 4.054 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOc2cccc(Cl)c2Cl)C1 ZINC000613255061 1040844083 /nfs/dbraw/zinc/84/40/83/1040844083.db2.gz BKYPWXDQFUXMAH-NWDGAFQWSA-N 1 0 313.228 4.044 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)CC3 ZINC000613255761 1040848362 /nfs/dbraw/zinc/84/83/62/1040848362.db2.gz GQZAGWYWLKTQEV-BZUAXINKSA-N 1 0 307.441 4.006 20 30 DIEDRO CCOc1ccc([C@H](CC)[NH2+]CC(C)(C)CC#N)cc1OCC ZINC000414160064 1040936854 /nfs/dbraw/zinc/93/68/54/1040936854.db2.gz CEWGUUOXFDJJBI-INIZCTEOSA-N 1 0 318.461 4.465 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccc(C#N)cc1 ZINC000414161169 1040937351 /nfs/dbraw/zinc/93/73/51/1040937351.db2.gz ZVPCPLJPTQWLJZ-OXJNMPFZSA-N 1 0 307.441 4.405 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000414162584 1040941392 /nfs/dbraw/zinc/94/13/92/1040941392.db2.gz HLAFGNAFMNLKJU-GOSISDBHSA-N 1 0 323.396 4.214 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000414163710 1040943028 /nfs/dbraw/zinc/94/30/28/1040943028.db2.gz JCMDNLDKLBXUOA-CQSZACIVSA-N 1 0 312.335 4.102 20 30 DIEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(C)(C)CC#N)oc21 ZINC000414174961 1040954754 /nfs/dbraw/zinc/95/47/54/1040954754.db2.gz YPIMSIFKRGMGCV-CYBMUJFWSA-N 1 0 300.402 4.422 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(OC(F)(F)F)c1 ZINC001143467994 1041043310 /nfs/dbraw/zinc/04/33/10/1041043310.db2.gz AERHIHAZXUREQA-ZDUSSCGKSA-N 1 0 312.335 4.019 20 30 DIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CC(F)(F)F ZINC000414245510 1041047483 /nfs/dbraw/zinc/04/74/83/1041047483.db2.gz BNUHNZDICJQICK-QWRGUYRKSA-N 1 0 302.315 4.327 20 30 DIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)CC(F)(F)F ZINC000414271335 1041065996 /nfs/dbraw/zinc/06/59/96/1041065996.db2.gz WJXPBKJAVQJCSO-GHMZBOCLSA-N 1 0 302.315 4.327 20 30 DIEDRO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926761901 1041082380 /nfs/dbraw/zinc/08/23/80/1041082380.db2.gz BIRCIXBDFAMODB-LBPRGKRZSA-N 1 0 301.409 4.076 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000414310556 1041107221 /nfs/dbraw/zinc/10/72/21/1041107221.db2.gz WHKOIFAHASYKNO-OXQOHEQNSA-N 1 0 322.452 4.483 20 30 DIEDRO CCCCCCCC[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC001170573866 1041117245 /nfs/dbraw/zinc/11/72/45/1041117245.db2.gz VLWONSDBPZKDDD-GOEBONIOSA-N 1 0 311.491 4.271 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cccnc1 ZINC000414333439 1041138977 /nfs/dbraw/zinc/13/89/77/1041138977.db2.gz MEGWBUNEWQRVBX-FQEVSTJZSA-N 1 0 319.452 4.288 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C[NH2+]CC ZINC000659018530 1041150507 /nfs/dbraw/zinc/15/05/07/1041150507.db2.gz IKJBJTDDSLOASB-DOTOQJQBSA-N 1 0 315.461 4.053 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000414355223 1041164089 /nfs/dbraw/zinc/16/40/89/1041164089.db2.gz YLXDPDQOBMXGEY-QUCCMNQESA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1ccc(C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000180559995 1041172136 /nfs/dbraw/zinc/17/21/36/1041172136.db2.gz HPMDSOOPOUEQAK-OAQYLSRUSA-N 1 0 320.436 4.008 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000809542430 1041184221 /nfs/dbraw/zinc/18/42/21/1041184221.db2.gz GLBUWLHYMPKYNC-LJQANCHMSA-N 1 0 321.420 4.022 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cc1 ZINC000809604858 1041192603 /nfs/dbraw/zinc/19/26/03/1041192603.db2.gz RMRVJIDBLJJIOE-UHFFFAOYSA-N 1 0 314.388 4.145 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)cc1 ZINC000809611898 1041194683 /nfs/dbraw/zinc/19/46/83/1041194683.db2.gz BFRFGGDBBIBPLN-UHFFFAOYSA-N 1 0 320.436 4.064 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)cc1 ZINC000809616076 1041196830 /nfs/dbraw/zinc/19/68/30/1041196830.db2.gz IFGOGUHFLRHBQH-UHFFFAOYSA-N 1 0 305.421 4.279 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000809603951 1041203610 /nfs/dbraw/zinc/20/36/10/1041203610.db2.gz MXTXVPQNDYWLEL-INIZCTEOSA-N 1 0 323.436 4.315 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000809603953 1041203826 /nfs/dbraw/zinc/20/38/26/1041203826.db2.gz MXTXVPQNDYWLEL-MRXNPFEDSA-N 1 0 323.436 4.315 20 30 DIEDRO C#C[C@@H]([NH2+]CCCc1ccc(C)nc1)c1ccc(Cl)cc1F ZINC000809698681 1041216556 /nfs/dbraw/zinc/21/65/56/1041216556.db2.gz GPNXNPCMUICCPZ-GOSISDBHSA-N 1 0 316.807 4.079 20 30 DIEDRO C#C[C@@H]([NH2+]CCCc1cnccc1C)c1ccc(Cl)cc1F ZINC000809699251 1041217275 /nfs/dbraw/zinc/21/72/75/1041217275.db2.gz MFXBCMFFCGQOCU-GOSISDBHSA-N 1 0 316.807 4.079 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CC1(OC)CCC1)c1ccc(Cl)cc1F ZINC000809699872 1041217996 /nfs/dbraw/zinc/21/79/96/1041217996.db2.gz UBWJJDYFRNHUQN-BLLLJJGKSA-N 1 0 309.812 4.091 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CCC(F)(F)F)c1ccc(Cl)cc1F ZINC000809698393 1041218566 /nfs/dbraw/zinc/21/85/66/1041218566.db2.gz BGRKAMQLEMHDAS-RNCFNFMXSA-N 1 0 307.718 4.474 20 30 DIEDRO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000613540422 1041223928 /nfs/dbraw/zinc/22/39/28/1041223928.db2.gz XRPXONLMVODOOO-KRWDZBQOSA-N 1 0 314.473 4.492 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809756053 1041247578 /nfs/dbraw/zinc/24/75/78/1041247578.db2.gz ULFAROCGFFWDQK-XHDPSFHLSA-N 1 0 302.245 4.361 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl)C(C)(C)C ZINC000809781220 1041252539 /nfs/dbraw/zinc/25/25/39/1041252539.db2.gz JPTXRKSHSPYFFR-CJNGLKHVSA-N 1 0 320.864 4.003 20 30 DIEDRO C[C@H](Nc1ccc([C@@H]2CCCC[N@@H+]2C)cn1)c1cccc(C#N)c1 ZINC001167707146 1041265442 /nfs/dbraw/zinc/26/54/42/1041265442.db2.gz GSUJCZTUODHYHS-KXBFYZLASA-N 1 0 320.440 4.283 20 30 DIEDRO C=C(Cl)CN(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000756061499 1041295282 /nfs/dbraw/zinc/29/52/82/1041295282.db2.gz JEJDISWHEGOVPB-HNNXBMFYSA-N 1 0 307.846 4.036 20 30 DIEDRO CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000588231051 1041296368 /nfs/dbraw/zinc/29/63/68/1041296368.db2.gz YGYFGQPYBQOKML-JFIYKMOQSA-N 1 0 300.446 4.249 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccncc1 ZINC000810145713 1041317929 /nfs/dbraw/zinc/31/79/29/1041317929.db2.gz GSXZKKULKXSNQN-INIZCTEOSA-N 1 0 322.330 4.213 20 30 DIEDRO COc1ccc2[nH+]c(C)cc(N[C@@H](C)c3cccc(C#N)c3)c2c1 ZINC001167711008 1041338921 /nfs/dbraw/zinc/33/89/21/1041338921.db2.gz VRPLHDVPKJECFG-AWEZNQCLSA-N 1 0 317.392 4.019 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810211050 1041346701 /nfs/dbraw/zinc/34/67/01/1041346701.db2.gz KVCQLHWPCLTBCH-OAQYLSRUSA-N 1 0 319.452 4.182 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810211049 1041346748 /nfs/dbraw/zinc/34/67/48/1041346748.db2.gz KVCQLHWPCLTBCH-NRFANRHFSA-N 1 0 319.452 4.182 20 30 DIEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810238629 1041352674 /nfs/dbraw/zinc/35/26/74/1041352674.db2.gz RJGUAPMFXWJQFD-CYBMUJFWSA-N 1 0 312.335 4.146 20 30 DIEDRO C=CCCCCCCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000810242364 1041354634 /nfs/dbraw/zinc/35/46/34/1041354634.db2.gz AEEBIFXQVZMAQG-UHFFFAOYSA-N 1 0 301.478 4.167 20 30 DIEDRO C=CCCCCCCC[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000810243037 1041356101 /nfs/dbraw/zinc/35/61/01/1041356101.db2.gz KSXAYNLOWFFPGM-OAHLLOKOSA-N 1 0 316.445 4.195 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccc(C#N)cc1 ZINC000103340135 1041358018 /nfs/dbraw/zinc/35/80/18/1041358018.db2.gz HZRSRFMWKIOTNT-CQSZACIVSA-N 1 0 306.409 4.123 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CCC(CC)CC2)c1 ZINC000236646355 1041408938 /nfs/dbraw/zinc/40/89/38/1041408938.db2.gz BRKRGTBNLGTIKC-VMWRSERWSA-N 1 0 300.446 4.426 20 30 DIEDRO N#CC1(CN[C@H](Cc2ccc(F)cc2Cl)c2ccoc2)CC1 ZINC000926873198 1041433095 /nfs/dbraw/zinc/43/30/95/1041433095.db2.gz DAOACVZUOHMHQT-MRXNPFEDSA-N 1 0 318.779 4.249 20 30 DIEDRO CCC[C@@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000341046272 1041456895 /nfs/dbraw/zinc/45/68/95/1041456895.db2.gz APQSMGDAPCCYQM-GOSISDBHSA-N 1 0 324.424 4.077 20 30 DIEDRO CC(C)c1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728711521 1041472463 /nfs/dbraw/zinc/47/24/63/1041472463.db2.gz CFXDNGZXNSMIFS-MRXNPFEDSA-N 1 0 308.425 4.391 20 30 DIEDRO C[C@H](CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 ZINC000728711934 1041478173 /nfs/dbraw/zinc/47/81/73/1041478173.db2.gz OXKONJZVXZNFFM-SJORKVTESA-N 1 0 308.425 4.261 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728713136 1041478809 /nfs/dbraw/zinc/47/88/09/1041478809.db2.gz MHOLSCOABLLYOE-CVEARBPZSA-N 1 0 324.424 4.227 20 30 DIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728714845 1041482404 /nfs/dbraw/zinc/48/24/04/1041482404.db2.gz ATDMFSLAUGDUEX-WDYCEAGBSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000365733794 1041494453 /nfs/dbraw/zinc/49/44/53/1041494453.db2.gz JBAKIPVQQMZRMB-PCCBWWKXSA-N 1 0 320.436 4.377 20 30 DIEDRO C=CCC1(c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)CCCCC1 ZINC000651251371 1041512690 /nfs/dbraw/zinc/51/26/90/1041512690.db2.gz SVRXRSKKUPIZAA-MQVJKMGUSA-N 1 0 315.461 4.188 20 30 DIEDRO C=CC[C@@H]1N(C(=O)Nc2ccc(C[NH2+]C)cc2)CCCC1(C)C ZINC000416020878 1041516658 /nfs/dbraw/zinc/51/66/58/1041516658.db2.gz YBINJNAKSQNJJL-KRWDZBQOSA-N 1 0 315.461 4.005 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cc1Cl ZINC000811502514 1041533165 /nfs/dbraw/zinc/53/31/65/1041533165.db2.gz WSHNTRHYPHFGAE-UHFFFAOYSA-N 1 0 323.198 4.336 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001125880854 1041573141 /nfs/dbraw/zinc/57/31/41/1041573141.db2.gz NTMJFWCOOUXQSJ-BZSNNMDCSA-N 1 0 310.526 4.362 20 30 DIEDRO N#Cc1c(N)sc(C[NH+]2CCC3(CCCC3)CC2)c1Cl ZINC001141106741 1041592587 /nfs/dbraw/zinc/59/25/87/1041592587.db2.gz HARFPACATPRENR-UHFFFAOYSA-N 1 0 309.866 4.012 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000236686076 1041592866 /nfs/dbraw/zinc/59/28/66/1041592866.db2.gz DRWZKNBDVZVAHN-OAQYLSRUSA-N 1 0 305.421 4.256 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170684215 1041640314 /nfs/dbraw/zinc/64/03/14/1041640314.db2.gz VXWIBKJXCUVVEP-FQEVSTJZSA-N 1 0 307.412 4.229 20 30 DIEDRO C=Cc1ccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000812734666 1041642460 /nfs/dbraw/zinc/64/24/60/1041642460.db2.gz PXYWGVJPPGSZTB-MRXNPFEDSA-N 1 0 306.409 4.125 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000812857358 1041653252 /nfs/dbraw/zinc/65/32/52/1041653252.db2.gz MLJWICSELOZARG-OXQOHEQNSA-N 1 0 317.473 4.185 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000236694165 1041662756 /nfs/dbraw/zinc/66/27/56/1041662756.db2.gz MKIDYFIRPYNJNG-NRFANRHFSA-N 1 0 305.421 4.330 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000417366874 1041665442 /nfs/dbraw/zinc/66/54/42/1041665442.db2.gz NXGONFFRPCATFQ-WOJBJXKFSA-N 1 0 321.399 4.211 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000417372419 1041666990 /nfs/dbraw/zinc/66/69/90/1041666990.db2.gz WBBSRXUSQAOWRX-LYSIVYOWSA-N 1 0 324.468 4.121 20 30 DIEDRO CC(C)CC[NH+]1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000925599770 1041667832 /nfs/dbraw/zinc/66/78/32/1041667832.db2.gz CITAPPURISHKHA-FQEVSTJZSA-N 1 0 313.489 4.132 20 30 DIEDRO C#CCCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000773040117 1041671580 /nfs/dbraw/zinc/67/15/80/1041671580.db2.gz JRYSWGFVBURFLD-HNNXBMFYSA-N 1 0 322.246 4.056 20 30 DIEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000728776698 1041678541 /nfs/dbraw/zinc/67/85/41/1041678541.db2.gz SQDHFWAFTODQDB-NXHRZFHOSA-N 1 0 300.446 4.282 20 30 DIEDRO CC[N@H+](CCc1ncc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000566558713 1041716771 /nfs/dbraw/zinc/71/67/71/1041716771.db2.gz KDNGZWLEDIAYLD-KRWDZBQOSA-N 1 0 307.441 4.196 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)C1CC1 ZINC000747857944 1041716971 /nfs/dbraw/zinc/71/69/71/1041716971.db2.gz BVHSNUGZUUNTEJ-QGZVFWFLSA-N 1 0 303.446 4.317 20 30 DIEDRO N#CC1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCC1 ZINC000418137084 1041730248 /nfs/dbraw/zinc/73/02/48/1041730248.db2.gz CZUDERGXSKUNBQ-UHFFFAOYSA-N 1 0 300.402 4.338 20 30 DIEDRO CCCCCCCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000813860425 1041737809 /nfs/dbraw/zinc/73/78/09/1041737809.db2.gz QUQBRLYIRRAWST-INIZCTEOSA-N 1 0 304.478 4.400 20 30 DIEDRO Cc1c(C#N)c(NCCC[N@H+]2CCCC[C@H]2C)nc2ccccc12 ZINC001167751748 1041746136 /nfs/dbraw/zinc/74/61/36/1041746136.db2.gz NABNDZZSJWXNQY-OAHLLOKOSA-N 1 0 322.456 4.091 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]CCOc2ccccc2C#N)cc1 ZINC000500267161 1041749276 /nfs/dbraw/zinc/74/92/76/1041749276.db2.gz ZJPVGDBAYDJREX-AWEZNQCLSA-N 1 0 312.438 4.010 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N1CCCCC1 ZINC000015103712 1041780790 /nfs/dbraw/zinc/78/07/90/1041780790.db2.gz WZOXNRGQXJYYLY-UHFFFAOYSA-N 1 0 319.452 4.181 20 30 DIEDRO Cc1cccc(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1C ZINC000814170339 1041782820 /nfs/dbraw/zinc/78/28/20/1041782820.db2.gz VRKWXEZTNKZOPR-INIZCTEOSA-N 1 0 308.425 4.226 20 30 DIEDRO Cc1cccc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1C ZINC000814169947 1041783206 /nfs/dbraw/zinc/78/32/06/1041783206.db2.gz OSJBOHRLDZCNHW-UHFFFAOYSA-N 1 0 321.468 4.285 20 30 DIEDRO COCc1ccccc1/C=C(\C)C=[NH+]n1cnc2ccccc21 ZINC000814217266 1041792528 /nfs/dbraw/zinc/79/25/28/1041792528.db2.gz YWLCWQFGAJIKAD-XZWCQQSGSA-N 1 0 305.381 4.120 20 30 DIEDRO C[C@]1(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000828589206 1041799555 /nfs/dbraw/zinc/79/95/55/1041799555.db2.gz GEXNDYXTAQSSTA-MRXNPFEDSA-N 1 0 321.251 4.231 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC001627166776 1041799664 /nfs/dbraw/zinc/79/96/64/1041799664.db2.gz VOZKHPNQHSLZPW-HNNXBMFYSA-N 1 0 320.502 4.332 20 30 DIEDRO CN(C)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000814304309 1041808735 /nfs/dbraw/zinc/80/87/35/1041808735.db2.gz KABXGQDPHFFBKA-FQEVSTJZSA-N 1 0 307.441 4.277 20 30 DIEDRO C=C(C)c1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)nc1 ZINC001170754037 1041842346 /nfs/dbraw/zinc/84/23/46/1041842346.db2.gz QBDKHUFORCZLGF-FQEVSTJZSA-N 1 0 321.468 4.234 20 30 DIEDRO Cc1ccc(OCC[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000814656839 1041845488 /nfs/dbraw/zinc/84/54/88/1041845488.db2.gz AEZLTKAXZASADT-FQEVSTJZSA-N 1 0 308.425 4.399 20 30 DIEDRO CC1(C)[C@@H]2C[C@@H]([NH+]3CCC(Cc4ccc(C#N)cc4)CC3)C[C@@H]21 ZINC001170758592 1041853247 /nfs/dbraw/zinc/85/32/47/1041853247.db2.gz RXYKIYOFAZSUJD-OWZKRDHZSA-N 1 0 308.469 4.247 20 30 DIEDRO Cc1ccc2c(C)cc(N=NC(C)C3CC[NH+](C)CC3)nc2c1C ZINC000814769898 1041864116 /nfs/dbraw/zinc/86/41/16/1041864116.db2.gz XENQKIPUMKSQNJ-UHFFFAOYSA-N 1 0 324.472 4.290 20 30 DIEDRO N#CCOc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001212608072 1041865246 /nfs/dbraw/zinc/86/52/46/1041865246.db2.gz NXMOQLFOYFNCTM-UHFFFAOYSA-N 1 0 321.424 4.318 20 30 DIEDRO C=CCC[NH2+][C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001170769332 1041878089 /nfs/dbraw/zinc/87/80/89/1041878089.db2.gz OLGJWXQXVQGJNW-KRWDZBQOSA-N 1 0 318.461 4.198 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421856225 1041886796 /nfs/dbraw/zinc/88/67/96/1041886796.db2.gz NXLPWYNNKBNXBV-TZIWHRDSSA-N 1 0 319.452 4.354 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000651707406 1041887278 /nfs/dbraw/zinc/88/72/78/1041887278.db2.gz LACGJLMFXZDNNE-YOEHRIQHSA-N 1 0 314.404 4.358 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1CC ZINC000661115861 1041888951 /nfs/dbraw/zinc/88/89/51/1041888951.db2.gz FSXPNZDNAAUZMX-ZWKOTPCHSA-N 1 0 314.473 4.220 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000651750296 1041903574 /nfs/dbraw/zinc/90/35/74/1041903574.db2.gz CCARNMYNLNPENC-MAUKXSAKSA-N 1 0 315.461 4.051 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000815090718 1041908747 /nfs/dbraw/zinc/90/87/47/1041908747.db2.gz KUQQOOAJBOEXIJ-XNRPHZJLSA-N 1 0 308.347 4.187 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815092596 1041912475 /nfs/dbraw/zinc/91/24/75/1041912475.db2.gz LWDQQYBAKQZJPM-XNRPHZJLSA-N 1 0 308.347 4.187 20 30 DIEDRO C#CC[C@@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1ccccc1 ZINC000815083060 1041912679 /nfs/dbraw/zinc/91/26/79/1041912679.db2.gz HGJKSGAWNMCIRF-YADHBBJMSA-N 1 0 315.416 4.227 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)C1 ZINC000651821119 1041924515 /nfs/dbraw/zinc/92/45/15/1041924515.db2.gz DEDWIDVSNKAGDO-FUHWJXTLSA-N 1 0 314.477 4.083 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000815141867 1041925168 /nfs/dbraw/zinc/92/51/68/1041925168.db2.gz JDHZBDPLPYTENB-UHFFFAOYSA-N 1 0 303.475 4.308 20 30 DIEDRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000815150840 1041928147 /nfs/dbraw/zinc/92/81/47/1041928147.db2.gz FURROJQYMCKISA-INIZCTEOSA-N 1 0 308.425 4.311 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000661378842 1041929476 /nfs/dbraw/zinc/92/94/76/1041929476.db2.gz MZTVNRWYBDEUHK-ZDUSSCGKSA-N 1 0 317.820 4.178 20 30 DIEDRO CCC[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCCCO1 ZINC000487355127 1041941888 /nfs/dbraw/zinc/94/18/88/1041941888.db2.gz LPIJNMVCWXDXDI-GOSISDBHSA-N 1 0 314.473 4.269 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)cc1 ZINC000236743507 1041974961 /nfs/dbraw/zinc/97/49/61/1041974961.db2.gz NCPXFAMNYAKGPH-KRWDZBQOSA-N 1 0 323.436 4.337 20 30 DIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000815630425 1041978801 /nfs/dbraw/zinc/97/88/01/1041978801.db2.gz JRDBIUCPRUAFPT-HRAATJIYSA-N 1 0 320.436 4.433 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815636129 1041981479 /nfs/dbraw/zinc/98/14/79/1041981479.db2.gz PKEBEFJDMGEVJF-RDJZCZTQSA-N 1 0 316.445 4.429 20 30 DIEDRO C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1nc2c(s1)CCCC2 ZINC000093401123 1041982885 /nfs/dbraw/zinc/98/28/85/1041982885.db2.gz MNMXHYHKHWKJDH-CHWSQXEVSA-N 1 0 311.454 4.305 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)C2CCC(OC)CC2)cc1Cl ZINC000093414832 1041984518 /nfs/dbraw/zinc/98/45/18/1041984518.db2.gz UVVZMMNZEQAJPG-UHFFFAOYSA-N 1 0 323.864 4.294 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](CC)C(C)(C)O)cc1 ZINC000815652355 1041985497 /nfs/dbraw/zinc/98/54/97/1041985497.db2.gz ZFCDDTPAKCKDIX-CJNGLKHVSA-N 1 0 311.853 4.018 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC001170803981 1041996469 /nfs/dbraw/zinc/99/64/69/1041996469.db2.gz LAXUIYVQEPQCHR-LJQANCHMSA-N 1 0 300.490 4.484 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC001170803979 1041996682 /nfs/dbraw/zinc/99/66/82/1041996682.db2.gz LAXUIYVQEPQCHR-IBGZPJMESA-N 1 0 300.490 4.484 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(C)cc2Cl)CCCC1 ZINC000661861599 1042007064 /nfs/dbraw/zinc/00/70/64/1042007064.db2.gz CZWFOKGEXADBQP-UHFFFAOYSA-N 1 0 306.837 4.065 20 30 DIEDRO C#CC1CC[NH+]([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000830343280 1042053216 /nfs/dbraw/zinc/05/32/16/1042053216.db2.gz QVFFVZMPKCQGAH-CYBMUJFWSA-N 1 0 314.816 4.401 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000662078093 1042057929 /nfs/dbraw/zinc/05/79/29/1042057929.db2.gz AJJSMAHJSLPZNL-KFWWJZLASA-N 1 0 318.848 4.158 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nc(-c2cccs2)no1 ZINC000662078654 1042057955 /nfs/dbraw/zinc/05/79/55/1042057955.db2.gz FIUNUUJIVFPEEQ-UPJWGTAASA-N 1 0 301.415 4.042 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000662087540 1042058711 /nfs/dbraw/zinc/05/87/11/1042058711.db2.gz BWPPONMTRCRYHK-HDICACEKSA-N 1 0 324.424 4.423 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816551099 1042064484 /nfs/dbraw/zinc/06/44/84/1042064484.db2.gz OQOPUGWSGVNCRA-UHFFFAOYSA-N 1 0 319.404 4.400 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1OC ZINC000058474206 1042070888 /nfs/dbraw/zinc/07/08/88/1042070888.db2.gz IYSMKVLQIKHQFW-UHFFFAOYSA-N 1 0 322.408 4.031 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000816619699 1042074543 /nfs/dbraw/zinc/07/45/43/1042074543.db2.gz QZKADMQWYPHQDK-FXAWDEMLSA-N 1 0 320.436 4.357 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000093872513 1042078680 /nfs/dbraw/zinc/07/86/80/1042078680.db2.gz UVEZMEZDKRKIEY-CTNGQTDRSA-N 1 0 315.420 4.440 20 30 DIEDRO C[C@@H](CC[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000567966165 1042087305 /nfs/dbraw/zinc/08/73/05/1042087305.db2.gz RCKRZJRBOSXGIN-SFHVURJKSA-N 1 0 322.452 4.200 20 30 DIEDRO CC(C)[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccsc1 ZINC000817287255 1042100127 /nfs/dbraw/zinc/10/01/27/1042100127.db2.gz LUKYDKWHQQKMEP-KDOFPFPSSA-N 1 0 314.454 4.125 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000817584282 1042117201 /nfs/dbraw/zinc/11/72/01/1042117201.db2.gz ANHUSICZTZWGPV-LLVKDONJSA-N 1 0 315.280 4.159 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](CC)C2)cc1 ZINC000817586469 1042118657 /nfs/dbraw/zinc/11/86/57/1042118657.db2.gz ORNOZIBFMDAADZ-UAGQMJEPSA-N 1 0 323.864 4.426 20 30 DIEDRO C=CC[C@@]1(C(=O)Nc2cccc(Nc3ccccc3)c2)CCC[NH2+]1 ZINC000662491523 1042135178 /nfs/dbraw/zinc/13/51/78/1042135178.db2.gz JTPBJWSXQMRGJE-FQEVSTJZSA-N 1 0 321.424 4.067 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC(=C)Cl)cc1 ZINC000818347630 1042149823 /nfs/dbraw/zinc/14/98/23/1042149823.db2.gz TUNMFXKKEBRRTA-ZVZYQTTQSA-N 1 0 321.848 4.060 20 30 DIEDRO COc1ccc(CCC[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000490356164 1042149937 /nfs/dbraw/zinc/14/99/37/1042149937.db2.gz XHFFDIVBVQJZDY-MRXNPFEDSA-N 1 0 308.425 4.192 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001136177739 1042164466 /nfs/dbraw/zinc/16/44/66/1042164466.db2.gz ZKZCNBDFSWRDRY-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000568763338 1042165596 /nfs/dbraw/zinc/16/55/96/1042165596.db2.gz GWPYEXMLQIDGKW-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO CCCC1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236799902 1042177656 /nfs/dbraw/zinc/17/76/56/1042177656.db2.gz JPHXIJIBGQBGEB-HJOIGYKYSA-N 1 0 300.446 4.426 20 30 DIEDRO CCc1cc(NCc2ccc(OCC#N)cc2)c2ccccc2[nH+]1 ZINC000178519666 1042211441 /nfs/dbraw/zinc/21/14/41/1042211441.db2.gz ZEUOYZHJCADMKU-UHFFFAOYSA-N 1 0 317.392 4.312 20 30 DIEDRO CCCCCCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000820390986 1042213636 /nfs/dbraw/zinc/21/36/36/1042213636.db2.gz LLVQIHDWQMAINE-IBGZPJMESA-N 1 0 316.489 4.300 20 30 DIEDRO C=CC1(CC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC001136398814 1042237515 /nfs/dbraw/zinc/23/75/15/1042237515.db2.gz XDFDWTDPVHVBAJ-QGZVFWFLSA-N 1 0 320.521 4.140 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000585729070 1042238718 /nfs/dbraw/zinc/23/87/18/1042238718.db2.gz VBJRNJUKHRVCID-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000585729069 1042238789 /nfs/dbraw/zinc/23/87/89/1042238789.db2.gz VBJRNJUKHRVCID-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO CC(C)Oc1ccccc1/C=C/C(=O)c1cccc(C[NH+](C)C)c1 ZINC000821022162 1042239515 /nfs/dbraw/zinc/23/95/15/1042239515.db2.gz PHMGQKCLQCEPJD-OUKQBFOZSA-N 1 0 323.436 4.432 20 30 DIEDRO COc1ncc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000585764887 1042244862 /nfs/dbraw/zinc/24/48/62/1042244862.db2.gz WQJVOWNMMWUTRC-VXGBXAGGSA-N 1 0 315.804 4.027 20 30 DIEDRO CC[NH+](CC)Cc1cccc(N[C@H]2CC[C@H](C#N)CC2)c1F ZINC001167844871 1042262683 /nfs/dbraw/zinc/26/26/83/1042262683.db2.gz BYRNKBJBDOZCNM-KOMQPUFPSA-N 1 0 303.425 4.162 20 30 DIEDRO N#C[C@H]1CC[C@H](Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)CC1 ZINC001167844897 1042262787 /nfs/dbraw/zinc/26/27/87/1042262787.db2.gz KPYQTNJGLZTYQC-AULYBMBSSA-N 1 0 319.330 4.170 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2cc(C#N)ccc2OC)C(C)C)cc1 ZINC000182050439 1042264402 /nfs/dbraw/zinc/26/44/02/1042264402.db2.gz KUSFXYDXPFQMHC-HXUWFJFHSA-N 1 0 324.424 4.062 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000187178216 1042306091 /nfs/dbraw/zinc/30/60/91/1042306091.db2.gz LAXLCVAXZVZZRZ-GOSISDBHSA-N 1 0 316.514 4.080 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000337282797 1042319274 /nfs/dbraw/zinc/31/92/74/1042319274.db2.gz IMLYSIHOBAIGFF-UHFFFAOYSA-N 1 0 322.399 4.284 20 30 DIEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001167876648 1042321576 /nfs/dbraw/zinc/32/15/76/1042321576.db2.gz RPRCHALNCOLJNP-DZGCQCFKSA-N 1 0 315.392 4.020 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001167876651 1042321825 /nfs/dbraw/zinc/32/18/25/1042321825.db2.gz RPRCHALNCOLJNP-UKRRQHHQSA-N 1 0 315.392 4.020 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000150889889 1042326821 /nfs/dbraw/zinc/32/68/21/1042326821.db2.gz SPOCKTNTIYYJMP-UHFFFAOYSA-N 1 0 301.459 4.383 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC001171019348 1042329976 /nfs/dbraw/zinc/32/99/76/1042329976.db2.gz VIAPMLZYUCRIQJ-PMACEKPBSA-N 1 0 320.436 4.335 20 30 DIEDRO CCCC1CCC([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236799937 1042371626 /nfs/dbraw/zinc/37/16/26/1042371626.db2.gz JPHXIJIBGQBGEB-KLHKWILBSA-N 1 0 300.446 4.426 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCC2CCCCC2)cc1 ZINC000237566943 1042377591 /nfs/dbraw/zinc/37/75/91/1042377591.db2.gz LICBRNYTZWBTTO-MRXNPFEDSA-N 1 0 300.446 4.428 20 30 DIEDRO N#CCCCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000237818589 1042380239 /nfs/dbraw/zinc/38/02/39/1042380239.db2.gz XFDHCHQLCJDNLV-UHFFFAOYSA-N 1 0 311.410 4.340 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c(C)c1 ZINC000573657070 1042412081 /nfs/dbraw/zinc/41/20/81/1042412081.db2.gz WOVUTFABPQICMZ-OAQYLSRUSA-N 1 0 320.436 4.433 20 30 DIEDRO C[C@@H]1C[C@@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000047045204 1042415911 /nfs/dbraw/zinc/41/59/11/1042415911.db2.gz NIZVGFFUNURTSI-IIBYNOLFSA-N 1 0 315.420 4.088 20 30 DIEDRO CC(C)(C#N)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000614159695 1042418267 /nfs/dbraw/zinc/41/82/67/1042418267.db2.gz OKSPFZIGAAAQDL-HXUWFJFHSA-N 1 0 320.436 4.061 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000614162900 1042418783 /nfs/dbraw/zinc/41/87/83/1042418783.db2.gz DJWHTHVGBPVPQT-LJQANCHMSA-N 1 0 304.437 4.477 20 30 DIEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000614163973 1042418991 /nfs/dbraw/zinc/41/89/91/1042418991.db2.gz YXLPBEKRVXTSID-AABGKKOBSA-N 1 0 312.457 4.119 20 30 DIEDRO CC(C)(C#N)c1ccc(CN2CCOC[C@@H]2c2ccccc2)cc1 ZINC000614168864 1042419902 /nfs/dbraw/zinc/41/99/02/1042419902.db2.gz ZGCKNHJEHAQWBD-HXUWFJFHSA-N 1 0 320.436 4.061 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000614171131 1042420610 /nfs/dbraw/zinc/42/06/10/1042420610.db2.gz DKMFLPMIKRWRJG-ROUUACIJSA-N 1 0 314.498 4.348 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894102746 1042420800 /nfs/dbraw/zinc/42/08/00/1042420800.db2.gz QCOIZGULFKIKAS-KRWDZBQOSA-N 1 0 316.326 4.412 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1 ZINC000614174009 1042421250 /nfs/dbraw/zinc/42/12/50/1042421250.db2.gz FLJMHVGQHMQRQW-UHFFFAOYSA-N 1 0 308.400 4.406 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000614179371 1042423591 /nfs/dbraw/zinc/42/35/91/1042423591.db2.gz PYXYVTMKAGMCEB-HXUWFJFHSA-N 1 0 322.452 4.091 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1[N+](=O)[O-] ZINC000614183109 1042424177 /nfs/dbraw/zinc/42/41/77/1042424177.db2.gz XOFZHYGKCLYNSH-CQSZACIVSA-N 1 0 323.396 4.247 20 30 DIEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614227420 1042441050 /nfs/dbraw/zinc/44/10/50/1042441050.db2.gz RUEVFBHTSAASCF-OALUTQOASA-N 1 0 314.473 4.171 20 30 DIEDRO Cc1nc2sccn2c1CN(C)CCC1(C#N)CCCCC1 ZINC000411391126 1042444093 /nfs/dbraw/zinc/44/40/93/1042444093.db2.gz ZFITTWXNJPDVQT-UHFFFAOYSA-N 1 0 316.474 4.000 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000237020135 1042458197 /nfs/dbraw/zinc/45/81/97/1042458197.db2.gz OKRJOXREXAAPAS-XLIONFOSSA-N 1 0 322.452 4.478 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000237019795 1042458293 /nfs/dbraw/zinc/45/82/93/1042458293.db2.gz KTHDXJHOWVPBBL-KRWDZBQOSA-N 1 0 300.446 4.426 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419328044 1042470453 /nfs/dbraw/zinc/47/04/53/1042470453.db2.gz DJCDLDPWZXVCJB-AWEZNQCLSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)c1 ZINC000614397608 1042489895 /nfs/dbraw/zinc/48/98/95/1042489895.db2.gz JDMBDJRNEUEFBW-FQEVSTJZSA-N 1 0 320.436 4.082 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000614397583 1042489965 /nfs/dbraw/zinc/48/99/65/1042489965.db2.gz GLRKIBVKFYBSNG-UHFFFAOYSA-N 1 0 320.436 4.158 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614397333 1042490024 /nfs/dbraw/zinc/49/00/24/1042490024.db2.gz LVVGYPYRIMJSHL-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO Cc1cc(C#N)ccc1CN(C)[C@H](C)c1c(F)cccc1F ZINC000614396657 1042490140 /nfs/dbraw/zinc/49/01/40/1042490140.db2.gz APPWCEAZNSBMKZ-CYBMUJFWSA-N 1 0 300.352 4.338 20 30 DIEDRO Cc1cc(C#N)ccc1CN(Cc1ccc(F)cc1F)C1CC1 ZINC000614397698 1042490207 /nfs/dbraw/zinc/49/02/07/1042490207.db2.gz QPBNMLGLODSUPK-UHFFFAOYSA-N 1 0 312.363 4.310 20 30 DIEDRO COCC[N@H+](Cc1ccc(C#N)cc1C)[C@H](C)c1ccccc1 ZINC000614396817 1042490335 /nfs/dbraw/zinc/49/03/35/1042490335.db2.gz PVTVLVOKBQORJV-QGZVFWFLSA-N 1 0 308.425 4.076 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1C ZINC000614397536 1042490823 /nfs/dbraw/zinc/49/08/23/1042490823.db2.gz CPCZNIJABHBUTA-UHFFFAOYSA-N 1 0 306.409 4.064 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1C ZINC000614397564 1042490912 /nfs/dbraw/zinc/49/09/12/1042490912.db2.gz FDVAHPKKIKVELU-UHFFFAOYSA-N 1 0 303.409 4.151 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000614400659 1042491726 /nfs/dbraw/zinc/49/17/26/1042491726.db2.gz BFASFZFMWZAVKQ-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000265657254 1042493385 /nfs/dbraw/zinc/49/33/85/1042493385.db2.gz QFGPLZMSANLUSB-MAUKXSAKSA-N 1 0 306.409 4.117 20 30 DIEDRO N#Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)ccn1 ZINC000614414984 1042494008 /nfs/dbraw/zinc/49/40/08/1042494008.db2.gz PPCYYHDXLLZZKO-NJDAHSKKSA-N 1 0 317.436 4.111 20 30 DIEDRO CCc1ccc(C[N@H+](Cc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000729266752 1042517040 /nfs/dbraw/zinc/51/70/40/1042517040.db2.gz CKUXKBLFEWUCFM-UHFFFAOYSA-N 1 0 320.436 4.316 20 30 DIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000729268342 1042517408 /nfs/dbraw/zinc/51/74/08/1042517408.db2.gz ZBRULTULGBMSFQ-AWEZNQCLSA-N 1 0 314.816 4.435 20 30 DIEDRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)CCCO2 ZINC000151150062 1042529743 /nfs/dbraw/zinc/52/97/43/1042529743.db2.gz HNJUBOQRSBZOJD-IBGZPJMESA-N 1 0 324.399 4.318 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000513490956 1042546695 /nfs/dbraw/zinc/54/66/95/1042546695.db2.gz QICVMGMPUBEECK-UHFFFAOYSA-N 1 0 302.437 4.410 20 30 DIEDRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618806088 1042612114 /nfs/dbraw/zinc/61/21/14/1042612114.db2.gz PLLQEHXEVUYCOQ-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(C(F)(F)F)cc1 ZINC000420913854 1042616532 /nfs/dbraw/zinc/61/65/32/1042616532.db2.gz BJLAUWCRWIFGSP-MAZHCROVSA-N 1 0 313.363 4.073 20 30 DIEDRO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCCCC(C)(C)C#N)C1 ZINC000421007533 1042619816 /nfs/dbraw/zinc/61/98/16/1042619816.db2.gz HNRFRMRTTUOFNT-HOTGVXAUSA-N 1 0 322.493 4.006 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420998440 1042621252 /nfs/dbraw/zinc/62/12/52/1042621252.db2.gz TYMWQLHAPYNIRS-INIZCTEOSA-N 1 0 316.351 4.053 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c(OC(C)C)c1 ZINC000421339191 1042630769 /nfs/dbraw/zinc/63/07/69/1042630769.db2.gz FTELZHPLRSKWJG-UHFFFAOYSA-N 1 0 312.388 4.083 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CCC(C(F)(F)F)CC1 ZINC000421349797 1042631817 /nfs/dbraw/zinc/63/18/17/1042631817.db2.gz JLDSDJHSWVXTEJ-VOMCLLRMSA-N 1 0 316.392 4.467 20 30 DIEDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)s1)CCCO2 ZINC000421880239 1042660368 /nfs/dbraw/zinc/66/03/68/1042660368.db2.gz OHDWQTQXIYGVLS-KRWDZBQOSA-N 1 0 312.438 4.240 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(C#N)s1 ZINC000421883305 1042660797 /nfs/dbraw/zinc/66/07/97/1042660797.db2.gz QGFGSRQDFJXCKX-JTQLQIEISA-N 1 0 308.809 4.133 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)s2)C2CC2)c(F)c1 ZINC000421889729 1042661165 /nfs/dbraw/zinc/66/11/65/1042661165.db2.gz USHLEUAXYOUTLG-QGZVFWFLSA-N 1 0 316.401 4.008 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)s1 ZINC000421868659 1042661714 /nfs/dbraw/zinc/66/17/14/1042661714.db2.gz DCCHJQWVQHTRNQ-OAHLLOKOSA-N 1 0 318.829 4.277 20 30 DIEDRO N#CCCC[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000423132915 1042698842 /nfs/dbraw/zinc/69/88/42/1042698842.db2.gz PUAOEPOCUOMPOT-SLFFLAALSA-N 1 0 305.425 4.156 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc(C#N)c1 ZINC000423442992 1042712440 /nfs/dbraw/zinc/71/24/40/1042712440.db2.gz PYIMQAIMVDTPHZ-ACJLOTCBSA-N 1 0 321.424 4.093 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000424188352 1042729248 /nfs/dbraw/zinc/72/92/48/1042729248.db2.gz BXVLLFBKLCJWPW-SWLSCSKDSA-N 1 0 300.402 4.336 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000424289781 1042731525 /nfs/dbraw/zinc/73/15/25/1042731525.db2.gz AFTAQVYJQDFRIW-CQDKDKBSSA-N 1 0 312.240 4.161 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000424301064 1042732139 /nfs/dbraw/zinc/73/21/39/1042732139.db2.gz ZIIZRVCRMMJZDT-HFTRVMKXSA-N 1 0 305.487 4.429 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000424301365 1042732163 /nfs/dbraw/zinc/73/21/63/1042732163.db2.gz ZUJBUUFWGZWTIB-MAZHCROVSA-N 1 0 323.889 4.448 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000424300472 1042732471 /nfs/dbraw/zinc/73/24/71/1042732471.db2.gz XVJJQLVVYXRSAF-QRTARXTBSA-N 1 0 314.454 4.052 20 30 DIEDRO C=CC[C@H]1N(C(=O)Nc2cc(C)cc(C[NH3+])c2)CCCC1(C)C ZINC000424425580 1042739300 /nfs/dbraw/zinc/73/93/00/1042739300.db2.gz JZBFSNYYPDVKKH-QGZVFWFLSA-N 1 0 315.461 4.052 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000637915163 1042745553 /nfs/dbraw/zinc/74/55/53/1042745553.db2.gz ZDAJKVFDMHSAGT-CQSZACIVSA-N 1 0 318.848 4.175 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CCCc1c(Cl)cccc1Cl ZINC000425347809 1042793705 /nfs/dbraw/zinc/79/37/05/1042793705.db2.gz CXORZFZZIXWFMY-LRDDRELGSA-N 1 0 314.256 4.107 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000425365848 1042797408 /nfs/dbraw/zinc/79/74/08/1042797408.db2.gz NJZAYUUMKLPVCT-HNNXBMFYSA-N 1 0 304.393 4.027 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000515455922 1042821096 /nfs/dbraw/zinc/82/10/96/1042821096.db2.gz YZZSNPDFTYRSAK-UWJYYQICSA-N 1 0 321.468 4.119 20 30 DIEDRO CC[N@H+](Cc1c(C)cc(OC)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000515534730 1042825403 /nfs/dbraw/zinc/82/54/03/1042825403.db2.gz JELARMWRGCYGHD-INIZCTEOSA-N 1 0 323.440 4.162 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCCC(=O)OC(C)(C)C ZINC000425529592 1042837282 /nfs/dbraw/zinc/83/72/82/1042837282.db2.gz CCKDLLMCBKRJIB-OAHLLOKOSA-N 1 0 316.445 4.063 20 30 DIEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H](C#N)CCC#N ZINC000425539959 1042838306 /nfs/dbraw/zinc/83/83/06/1042838306.db2.gz NJSNUPMGJGTSQB-HNNXBMFYSA-N 1 0 323.362 4.013 20 30 DIEDRO N#CCCC[NH2+]Cc1csc2c1cccc2Br ZINC000516785018 1042853224 /nfs/dbraw/zinc/85/32/24/1042853224.db2.gz FBIPZAUHRSZGAT-UHFFFAOYSA-N 1 0 309.232 4.057 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(CC#N)cc1 ZINC000516866565 1042858057 /nfs/dbraw/zinc/85/80/57/1042858057.db2.gz FBCMSUTXDVDESZ-LGMDPLHJSA-N 1 0 320.436 4.092 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC)[C@H]2CCOC(C)(C)C2)cc1 ZINC000516941868 1042861382 /nfs/dbraw/zinc/86/13/82/1042861382.db2.gz WCNDPZZNIRUMGH-KRWDZBQOSA-N 1 0 303.446 4.031 20 30 DIEDRO Cc1ccncc1CCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000517057178 1042864658 /nfs/dbraw/zinc/86/46/58/1042864658.db2.gz JVJWWICXWYCMCO-RTWAWAEBSA-N 1 0 319.452 4.094 20 30 DIEDRO CC1(C#N)CCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894430774 1042957293 /nfs/dbraw/zinc/95/72/93/1042957293.db2.gz DJIUUYWLYLNPMB-UHFFFAOYSA-N 1 0 305.834 4.075 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894657000 1042971117 /nfs/dbraw/zinc/97/11/17/1042971117.db2.gz OFFLMKBMJIJUBJ-UHFFFAOYSA-N 1 0 300.427 4.026 20 30 DIEDRO Cc1c(Br)cccc1C[NH+]1CCC(CCC#N)CC1 ZINC000519598306 1042983584 /nfs/dbraw/zinc/98/35/84/1042983584.db2.gz FWVZGZHKSVTYMN-UHFFFAOYSA-N 1 0 321.262 4.273 20 30 DIEDRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(C#N)c1)CCCO2 ZINC000151383466 1042990442 /nfs/dbraw/zinc/99/04/42/1042990442.db2.gz OYFGNJIQLPNZDL-IBGZPJMESA-N 1 0 306.409 4.179 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)c1 ZINC000614532430 1043002194 /nfs/dbraw/zinc/00/21/94/1043002194.db2.gz DGMCQJGSOMFIMK-OAQYLSRUSA-N 1 0 318.420 4.089 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1F ZINC000519908788 1043008085 /nfs/dbraw/zinc/00/80/85/1043008085.db2.gz QATXOQOSFWCGGH-UHFFFAOYSA-N 1 0 314.379 4.495 20 30 DIEDRO CCOc1ccc(C[N@H+](Cc2ccccc2C#N)C(C)C)cc1 ZINC000520173032 1043020564 /nfs/dbraw/zinc/02/05/64/1043020564.db2.gz FUAPLTZPHMPTLU-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000520198361 1043024216 /nfs/dbraw/zinc/02/42/16/1043024216.db2.gz AQUJRUVERJPFDZ-OAHLLOKOSA-N 1 0 308.347 4.113 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCOc2ccccc2C#N)C1 ZINC000441320845 1043035894 /nfs/dbraw/zinc/03/58/94/1043035894.db2.gz DATMMZVDALCQTI-HNAYVOBHSA-N 1 0 324.399 4.159 20 30 DIEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)ccc1Br ZINC000441334796 1043036261 /nfs/dbraw/zinc/03/62/61/1043036261.db2.gz XMTYFGSKESOLRP-UHFFFAOYSA-N 1 0 321.262 4.177 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000441332920 1043038320 /nfs/dbraw/zinc/03/83/20/1043038320.db2.gz SGJCIQMHTAYGMR-YWZLYKJASA-N 1 0 324.399 4.159 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000441359138 1043038933 /nfs/dbraw/zinc/03/89/33/1043038933.db2.gz QGKRCUAXNMKYQC-LJQANCHMSA-N 1 0 310.416 4.459 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000441341515 1043039742 /nfs/dbraw/zinc/03/97/42/1043039742.db2.gz ODDJYJIECZHJCK-QRWLVFNGSA-N 1 0 324.399 4.159 20 30 DIEDRO CC(C)c1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1[N+](=O)[O-] ZINC000441363450 1043040290 /nfs/dbraw/zinc/04/02/90/1043040290.db2.gz WUEGWFPAPZXDAO-UHFFFAOYSA-N 1 0 315.417 4.138 20 30 DIEDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000441389429 1043043634 /nfs/dbraw/zinc/04/36/34/1043043634.db2.gz VKTDGESMJHKISD-UZLBHIALSA-N 1 0 320.436 4.225 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)o1 ZINC000174358671 1043064287 /nfs/dbraw/zinc/06/42/87/1043064287.db2.gz HMEUIOYKJIWPTH-KRWDZBQOSA-N 1 0 300.789 4.436 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000328651464 1043074725 /nfs/dbraw/zinc/07/47/25/1043074725.db2.gz JUOCOLJFIIGKJQ-PVAVHDDUSA-N 1 0 316.445 4.025 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000609544895 1043084351 /nfs/dbraw/zinc/08/43/51/1043084351.db2.gz WPLMFXWZVGSXQI-UHFFFAOYSA-N 1 0 320.436 4.347 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)cc1 ZINC000120517360 1043085067 /nfs/dbraw/zinc/08/50/67/1043085067.db2.gz DGSMSHFZTWMAFD-FXAWDEMLSA-N 1 0 322.452 4.450 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2csc(C)c2C)c1 ZINC000865464143 1043101487 /nfs/dbraw/zinc/10/14/87/1043101487.db2.gz UNDARNDWDYUTDT-QGZVFWFLSA-N 1 0 314.454 4.336 20 30 DIEDRO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000177483210 1043107901 /nfs/dbraw/zinc/10/79/01/1043107901.db2.gz SZGVESMOSJNOBR-INIZCTEOSA-N 1 0 311.473 4.006 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000865592902 1043116995 /nfs/dbraw/zinc/11/69/95/1043116995.db2.gz CROHFWHOJRXYCU-UHFFFAOYSA-N 1 0 312.388 4.164 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000178177099 1043123928 /nfs/dbraw/zinc/12/39/28/1043123928.db2.gz KEAXDJWCAUJGCD-KBXCAEBGSA-N 1 0 322.408 4.131 20 30 DIEDRO Cc1scc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1C ZINC000865680221 1043123987 /nfs/dbraw/zinc/12/39/87/1043123987.db2.gz UBDLNNVQRXPMMQ-UHFFFAOYSA-N 1 0 313.470 4.005 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2cc3cnccc3o2)cc1 ZINC000865854211 1043142391 /nfs/dbraw/zinc/14/23/91/1043142391.db2.gz MZJAARLMCDSWCK-OAHLLOKOSA-N 1 0 320.392 4.081 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000120800279 1043143960 /nfs/dbraw/zinc/14/39/60/1043143960.db2.gz AELFXOFUVNFIOC-GJZGRUSLSA-N 1 0 312.388 4.448 20 30 DIEDRO CCN(Cc1c[nH]c2ccccc12)Cc1ccc(F)cc1C#N ZINC000190453405 1043167625 /nfs/dbraw/zinc/16/76/25/1043167625.db2.gz RMQRBVXBHCJBNC-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866261180 1043167934 /nfs/dbraw/zinc/16/79/34/1043167934.db2.gz QNPHVBHCTMYPGU-ZDUSSCGKSA-N 1 0 319.246 4.054 20 30 DIEDRO C=CC[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccccc1 ZINC000190098105 1043173081 /nfs/dbraw/zinc/17/30/81/1043173081.db2.gz JHIPGVMMHGGUHV-LJQANCHMSA-N 1 0 322.452 4.355 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866353208 1043186471 /nfs/dbraw/zinc/18/64/71/1043186471.db2.gz PTIHRQGPRYPTME-BSIFCXSSSA-N 1 0 324.468 4.127 20 30 DIEDRO C[C@H](CCc1cccnc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000866364116 1043189748 /nfs/dbraw/zinc/18/97/48/1043189748.db2.gz PKFWSLGTZFPNEK-YLJYHZDGSA-N 1 0 307.441 4.427 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)cc1C ZINC000487393738 1043192387 /nfs/dbraw/zinc/19/23/87/1043192387.db2.gz LYWOVGXTLNVZDF-UHFFFAOYSA-N 1 0 322.452 4.437 20 30 DIEDRO CC(C)CCOC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186163734 1043217048 /nfs/dbraw/zinc/21/70/48/1043217048.db2.gz TVEJANNBIAEBKO-MRXNPFEDSA-N 1 0 300.446 4.146 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000866606632 1043232935 /nfs/dbraw/zinc/23/29/35/1043232935.db2.gz DCNKRZQIBOXPGM-RNJTYBCJSA-N 1 0 318.848 4.232 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000866611206 1043234733 /nfs/dbraw/zinc/23/47/33/1043234733.db2.gz ZPQIXUJYWYJTFQ-IOJLRTSASA-N 1 0 311.473 4.245 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc3cnccc3o2)cc1 ZINC000866622395 1043240048 /nfs/dbraw/zinc/24/00/48/1043240048.db2.gz ZFFFLTATOXKYBQ-HUUCEWRRSA-N 1 0 320.392 4.252 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc3cnccc3o2)cc1 ZINC000866622389 1043240479 /nfs/dbraw/zinc/24/04/79/1043240479.db2.gz ZFFFLTATOXKYBQ-CABCVRRESA-N 1 0 320.392 4.252 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3OC)cc1 ZINC000121912597 1043265145 /nfs/dbraw/zinc/26/51/45/1043265145.db2.gz UNKPNSQKTMHBQN-MGPUTAFESA-N 1 0 321.420 4.045 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000195147846 1043266422 /nfs/dbraw/zinc/26/64/22/1043266422.db2.gz JDFGBSHKTGWYFB-MRXNPFEDSA-N 1 0 316.404 4.098 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cccc(F)c1F ZINC000121934226 1043266704 /nfs/dbraw/zinc/26/67/04/1043266704.db2.gz VQJMAAFVCOTMCN-QWHCGFSZSA-N 1 0 316.351 4.106 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000121933907 1043267040 /nfs/dbraw/zinc/26/70/40/1043267040.db2.gz VQJMAAFVCOTMCN-STQMWFEESA-N 1 0 316.351 4.106 20 30 DIEDRO CC1=Nc2ccccc2C12CC[NH+](CC(C)(C)CCC#N)CC2 ZINC000895132174 1043296406 /nfs/dbraw/zinc/29/64/06/1043296406.db2.gz YTRIBCDPMVMWHP-UHFFFAOYSA-N 1 0 309.457 4.456 20 30 DIEDRO C#CCN(CC)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000268202449 1043314466 /nfs/dbraw/zinc/31/44/66/1043314466.db2.gz XUCUMMYDPJUXFP-SNVBAGLBSA-N 1 0 324.211 4.060 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000268789263 1043330637 /nfs/dbraw/zinc/33/06/37/1043330637.db2.gz FIGGPRZWUODVAJ-KGLIPLIRSA-N 1 0 309.369 4.187 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(N(C)C)cc1 ZINC000268826051 1043336349 /nfs/dbraw/zinc/33/63/49/1043336349.db2.gz UHHYYZDKMCNCBN-YWZLYKJASA-N 1 0 307.441 4.426 20 30 DIEDRO C=C(C[NH2+][C@H](C)CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000268851808 1043339182 /nfs/dbraw/zinc/33/91/82/1043339182.db2.gz SVTFXZSAQJYHKF-QGZVFWFLSA-N 1 0 308.425 4.015 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000795106258 1043339136 /nfs/dbraw/zinc/33/91/36/1043339136.db2.gz JKCDRDVUEZNIGJ-ICSRJNTNSA-N 1 0 322.537 4.317 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000268966650 1043346082 /nfs/dbraw/zinc/34/60/82/1043346082.db2.gz KZQJXIXDTGUYPA-HNNXBMFYSA-N 1 0 321.848 4.096 20 30 DIEDRO COc1cccc(C2(C[NH2+]Cc3ccc(C#N)cc3)CCCC2)c1 ZINC000520974743 1043346457 /nfs/dbraw/zinc/34/64/57/1043346457.db2.gz HADVXCYGEREHJQ-UHFFFAOYSA-N 1 0 320.436 4.168 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000269617097 1043370811 /nfs/dbraw/zinc/37/08/11/1043370811.db2.gz OKGKSIVMAZGZIM-UHFFFAOYSA-N 1 0 316.326 4.356 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000521172788 1043371240 /nfs/dbraw/zinc/37/12/40/1043371240.db2.gz FKMKCWUVIDQDHY-UHFFFAOYSA-N 1 0 324.399 4.177 20 30 DIEDRO CCCNc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000521320274 1043387683 /nfs/dbraw/zinc/38/76/83/1043387683.db2.gz MXCVAIGZFRQWQM-HXUWFJFHSA-N 1 0 305.425 4.157 20 30 DIEDRO Cc1cccc(COc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)c1 ZINC000442711160 1043407544 /nfs/dbraw/zinc/40/75/44/1043407544.db2.gz DPBONPIVZRUGAD-UYAOXDASSA-N 1 0 320.436 4.356 20 30 DIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442763469 1043413134 /nfs/dbraw/zinc/41/31/34/1043413134.db2.gz GRNXOYGMSODQAO-JZXOWHBKSA-N 1 0 300.446 4.454 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCCC2)C1 ZINC000442774688 1043416910 /nfs/dbraw/zinc/41/69/10/1043416910.db2.gz ARPHNCSKPURGHX-ZIAGYGMSSA-N 1 0 304.384 4.058 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000271416494 1043416913 /nfs/dbraw/zinc/41/69/13/1043416913.db2.gz BIJXJCKLGFSKFE-QFBILLFUSA-N 1 0 321.420 4.263 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](COCc2ccccc2)c2ccccc2)C1 ZINC000442767411 1043420903 /nfs/dbraw/zinc/42/09/03/1043420903.db2.gz MQHQCZRHTRXTSY-GIVPXCGWSA-N 1 0 320.436 4.226 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)C1 ZINC000442765943 1043422320 /nfs/dbraw/zinc/42/23/20/1043422320.db2.gz KEXJRVIBVJOARD-UZLBHIALSA-N 1 0 318.420 4.070 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2ccc(C)cc2)cc1 ZINC000442796261 1043422912 /nfs/dbraw/zinc/42/29/12/1043422912.db2.gz VSIITXGINKSLIG-LKUPVBHCSA-N 1 0 320.436 4.375 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442799133 1043427293 /nfs/dbraw/zinc/42/72/93/1043427293.db2.gz ZNJKLERNFSLKNR-BBRMVZONSA-N 1 0 322.374 4.409 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1OC)c1ccccc1 ZINC000271499447 1043427444 /nfs/dbraw/zinc/42/74/44/1043427444.db2.gz LYBYBXDCGCAEJK-DNVCBOLYSA-N 1 0 309.409 4.119 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C1 ZINC000442854273 1043444382 /nfs/dbraw/zinc/44/43/82/1043444382.db2.gz AAVUGPRVBONYSQ-WFASDCNBSA-N 1 0 319.246 4.110 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC000442834985 1043434452 /nfs/dbraw/zinc/43/44/52/1043434452.db2.gz CBESXPBPBVYRQJ-HOTGVXAUSA-N 1 0 303.409 4.076 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](COc2ccccc2)c2ccccc2)C1 ZINC000442860611 1043436729 /nfs/dbraw/zinc/43/67/29/1043436729.db2.gz LHPJJKVTNPIJML-POAQFYNOSA-N 1 0 306.409 4.089 20 30 DIEDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442868957 1043439144 /nfs/dbraw/zinc/43/91/44/1043439144.db2.gz OTLNSYATDVIUNC-IYXRBSQSSA-N 1 0 306.837 4.329 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000442866651 1043439228 /nfs/dbraw/zinc/43/92/28/1043439228.db2.gz IYMCKCBEJGZKPV-MQBCKMQZSA-N 1 0 318.848 4.473 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000925634925 1043440056 /nfs/dbraw/zinc/44/00/56/1043440056.db2.gz MZEINKTWALMQRB-JXFKEZNVSA-N 1 0 307.437 4.329 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000442873277 1043440479 /nfs/dbraw/zinc/44/04/79/1043440479.db2.gz KEXQGPIVMVVQEA-BZWMRVRASA-N 1 0 312.457 4.074 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442873013 1043440682 /nfs/dbraw/zinc/44/06/82/1043440682.db2.gz OKYMXMMGVDMVDY-DOMZBBRYSA-N 1 0 308.347 4.366 20 30 DIEDRO N#CCCCOc1cccc(N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925633029 1043440850 /nfs/dbraw/zinc/44/08/50/1043440850.db2.gz BRKZZTBAIQGAIV-HXUWFJFHSA-N 1 0 323.440 4.261 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOc3c(-c4ccccc4)cccc32)C1 ZINC000442871949 1043441736 /nfs/dbraw/zinc/44/17/36/1043441736.db2.gz MLFCUDRFLVCXAY-OXFYSEKESA-N 1 0 318.420 4.459 20 30 DIEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(C)ccc1OC ZINC000442877488 1043446474 /nfs/dbraw/zinc/44/64/74/1043446474.db2.gz USJVOAOMROTOTA-HTWSVDAQSA-N 1 0 300.446 4.374 20 30 DIEDRO CC[N@H+](CC#Cc1ccc(F)cc1)Cc1c[nH]c2ccccc12 ZINC000442885216 1043447606 /nfs/dbraw/zinc/44/76/06/1043447606.db2.gz MYJJVKZHFYNGJN-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000872070218 1043447944 /nfs/dbraw/zinc/44/79/44/1043447944.db2.gz SIGFQEMSJBEDSZ-LBPRGKRZSA-N 1 0 304.743 4.422 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C12CCCCC2 ZINC000442879092 1043448357 /nfs/dbraw/zinc/44/83/57/1043448357.db2.gz VPXZTSIBMSEUQB-FOIPXRHGSA-N 1 0 304.478 4.034 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000442891506 1043450149 /nfs/dbraw/zinc/45/01/49/1043450149.db2.gz NJKXIBVWMYWGLC-CJNGLKHVSA-N 1 0 312.363 4.387 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000442891507 1043451832 /nfs/dbraw/zinc/45/18/32/1043451832.db2.gz NJKXIBVWMYWGLC-CZUORRHYSA-N 1 0 312.363 4.387 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872076283 1043452082 /nfs/dbraw/zinc/45/20/82/1043452082.db2.gz YSUJPLHSVUQNAP-HOCLYGCPSA-N 1 0 324.262 4.083 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000925694753 1043454751 /nfs/dbraw/zinc/45/47/51/1043454751.db2.gz FLHMFPLDUKKCRH-UTKZUKDTSA-N 1 0 324.468 4.069 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000925694748 1043455291 /nfs/dbraw/zinc/45/52/91/1043455291.db2.gz FLHMFPLDUKKCRH-DYESRHJHSA-N 1 0 324.468 4.069 20 30 DIEDRO CC(C)C[N@H+](CCOCCC#N)[C@@H](C)c1ccccc1Cl ZINC000339169998 1043457163 /nfs/dbraw/zinc/45/71/63/1043457163.db2.gz NGBTZRYKNSAIPV-HNNXBMFYSA-N 1 0 308.853 4.289 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000872100862 1043458816 /nfs/dbraw/zinc/45/88/16/1043458816.db2.gz LDELJVCUTHZWAS-LJQANCHMSA-N 1 0 314.473 4.062 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000872139531 1043477640 /nfs/dbraw/zinc/47/76/40/1043477640.db2.gz LDPXAWJYCXDOLL-JHJVBQTASA-N 1 0 302.805 4.324 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000872138959 1043477675 /nfs/dbraw/zinc/47/76/75/1043477675.db2.gz CDBZMCJHDYFHJP-QSFXBCCZSA-N 1 0 308.400 4.092 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000521826520 1043479936 /nfs/dbraw/zinc/47/99/36/1043479936.db2.gz DQPGVONDCQJRRB-HXUWFJFHSA-N 1 0 320.436 4.016 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(F)cc1Br ZINC000717917435 1043488321 /nfs/dbraw/zinc/48/83/21/1043488321.db2.gz WEAARLGLRBPQQF-UHFFFAOYSA-N 1 0 300.215 4.423 20 30 DIEDRO C[NH+](C)C1(C)CCC(N=Nc2ncc(Cl)cc2Cl)CC1 ZINC000872332018 1043491775 /nfs/dbraw/zinc/49/17/75/1043491775.db2.gz DFJJHWMHVGIYEX-UHFFFAOYSA-N 1 0 315.248 4.051 20 30 DIEDRO C[C@H](CC(C)(C)C#N)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000926064475 1043517583 /nfs/dbraw/zinc/51/75/83/1043517583.db2.gz YBPAVHSBBVXSTQ-CYBMUJFWSA-N 1 0 323.868 4.021 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC3(CCCCC3)O1)CC2 ZINC000558508112 1043524499 /nfs/dbraw/zinc/52/44/99/1043524499.db2.gz AYXOKEYIDUIOLD-IEBWSBKVSA-N 1 0 310.441 4.017 20 30 DIEDRO CCc1oc2ccccc2c1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000522037451 1043526659 /nfs/dbraw/zinc/52/66/59/1043526659.db2.gz JRNVYTTUVGXYQL-UHFFFAOYSA-N 1 0 320.392 4.165 20 30 DIEDRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000558510035 1043527152 /nfs/dbraw/zinc/52/71/52/1043527152.db2.gz WNTNKEAZXAPINK-LJQANCHMSA-N 1 0 302.377 4.390 20 30 DIEDRO C=CC1CC[NH+](Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000522083661 1043536219 /nfs/dbraw/zinc/53/62/19/1043536219.db2.gz IJXQTOHUXASXJT-UHFFFAOYSA-N 1 0 314.454 4.217 20 30 DIEDRO C[C@@H]1CCCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350122517 1043540672 /nfs/dbraw/zinc/54/06/72/1043540672.db2.gz JMKSBIFRHWKPHL-MRXNPFEDSA-N 1 0 323.440 4.002 20 30 DIEDRO Cc1ccc([C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c2ccccn2)cc1 ZINC000926334842 1043565898 /nfs/dbraw/zinc/56/58/98/1043565898.db2.gz ZUHOFXDSPITGRU-QFBILLFUSA-N 1 0 307.441 4.397 20 30 DIEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+]2C[C@@H](C)CCC=C(C)C)C1=O ZINC001275068309 1043570400 /nfs/dbraw/zinc/57/04/00/1043570400.db2.gz GGRDFUVYCHVCSO-ICSRJNTNSA-N 1 0 318.505 4.012 20 30 DIEDRO CCc1nc2cc(C[NH2+][C@@H](C)CC(C)(C)C#N)ccc2n1C1CC1 ZINC000926375199 1043571404 /nfs/dbraw/zinc/57/14/04/1043571404.db2.gz YSECPSJQJYPHGH-AWEZNQCLSA-N 1 0 324.472 4.352 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CCN([C@H](C)CC)C2=O)CC1 ZINC001275112115 1043573949 /nfs/dbraw/zinc/57/39/49/1043573949.db2.gz YVEPAMFOOXIEAD-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000926473210 1043582980 /nfs/dbraw/zinc/58/29/80/1043582980.db2.gz YSFVTMWKXDDRKS-DBVUQKKJSA-N 1 0 322.452 4.379 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cn2c(n1)CCCC2 ZINC000926481993 1043584730 /nfs/dbraw/zinc/58/47/30/1043584730.db2.gz WMWQUUULFBWBEJ-SJLPKXTDSA-N 1 0 322.456 4.305 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000353153622 1043587698 /nfs/dbraw/zinc/58/76/98/1043587698.db2.gz QJKJGNPMDXGVCF-UHFFFAOYSA-N 1 0 302.443 4.038 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1csc(C(F)(F)F)c1 ZINC000926511783 1043590917 /nfs/dbraw/zinc/59/09/17/1043590917.db2.gz GKMRQMCVPSVFLL-SCVCMEIPSA-N 1 0 302.365 4.500 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000353272297 1043594273 /nfs/dbraw/zinc/59/42/73/1043594273.db2.gz LNEBSALWOZJDKL-MSOLQXFVSA-N 1 0 306.434 4.372 20 30 DIEDRO COc1ccc([C@H](N[C@@H](C)CC(C)(C)C#N)c2ccco2)cc1 ZINC000926549987 1043598814 /nfs/dbraw/zinc/59/88/14/1043598814.db2.gz IEEFFYQZHNWZCL-KSSFIOAISA-N 1 0 312.413 4.296 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccnn1C1CCC1 ZINC000926603078 1043606631 /nfs/dbraw/zinc/60/66/31/1043606631.db2.gz SJYJCZCAFBVGOJ-KUHUBIRLSA-N 1 0 320.440 4.208 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(OC)n1 ZINC000926599014 1043606678 /nfs/dbraw/zinc/60/66/78/1043606678.db2.gz DGMWDXGSEYYOOI-ZWKOTPCHSA-N 1 0 321.424 4.080 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc2c1OCO2 ZINC000926672595 1043613975 /nfs/dbraw/zinc/61/39/75/1043613975.db2.gz UFFKHWANYGSSPZ-AWEZNQCLSA-N 1 0 320.392 4.017 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000353526137 1043614068 /nfs/dbraw/zinc/61/40/68/1043614068.db2.gz IDYLVGMBJQNDKE-UHFFFAOYSA-N 1 0 315.442 4.245 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000926678283 1043615850 /nfs/dbraw/zinc/61/58/50/1043615850.db2.gz QMJWZFFNVAOMKC-HUUCEWRRSA-N 1 0 319.880 4.084 20 30 DIEDRO CO[C@H](C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000558853036 1043618050 /nfs/dbraw/zinc/61/80/50/1043618050.db2.gz OWNHBPBETGHZEH-OAQYLSRUSA-N 1 0 318.420 4.035 20 30 DIEDRO C=CCOCCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000926705789 1043621123 /nfs/dbraw/zinc/62/11/23/1043621123.db2.gz XEXUBOYAIVDUKX-FQEVSTJZSA-N 1 0 322.408 4.100 20 30 DIEDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353667806 1043632184 /nfs/dbraw/zinc/63/21/84/1043632184.db2.gz VVRFTIOQFVTFBM-QGZVFWFLSA-N 1 0 320.436 4.316 20 30 DIEDRO C=CCCCCCCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001141777571 1043650989 /nfs/dbraw/zinc/65/09/89/1043650989.db2.gz LPMODNAAQGKRSP-GOSISDBHSA-N 1 0 320.521 4.284 20 30 DIEDRO Cc1cccc(CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000353871899 1043652149 /nfs/dbraw/zinc/65/21/49/1043652149.db2.gz UTNDMZKSJISZFE-NRFANRHFSA-N 1 0 319.452 4.252 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000353914679 1043656487 /nfs/dbraw/zinc/65/64/87/1043656487.db2.gz KZDJPVLIAVLHKV-SFHVURJKSA-N 1 0 323.396 4.428 20 30 DIEDRO C=C1CCC(C[NH2+][C@H](C)c2sc(CCOC)nc2C)CC1 ZINC000926925300 1043657101 /nfs/dbraw/zinc/65/71/01/1043657101.db2.gz LNXYDQLJSZWXLY-CYBMUJFWSA-N 1 0 308.491 4.037 20 30 DIEDRO COc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1F ZINC000353916940 1043657200 /nfs/dbraw/zinc/65/72/00/1043657200.db2.gz SATRUGXEFRNELU-GOSISDBHSA-N 1 0 312.388 4.359 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H](C)c2sc(CCOC)nc2C)CC1 ZINC000926925301 1043657318 /nfs/dbraw/zinc/65/73/18/1043657318.db2.gz LNXYDQLJSZWXLY-ZDUSSCGKSA-N 1 0 308.491 4.037 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)ccc1C#N ZINC000353913700 1043657518 /nfs/dbraw/zinc/65/75/18/1043657518.db2.gz IMGQIKVTUHMFQS-FQEVSTJZSA-N 1 0 303.409 4.391 20 30 DIEDRO COCc1cccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000353915905 1043658059 /nfs/dbraw/zinc/65/80/59/1043658059.db2.gz ODQXEQBSIVBTIQ-HXUWFJFHSA-N 1 0 308.425 4.358 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1C#N ZINC000926967954 1043663373 /nfs/dbraw/zinc/66/33/73/1043663373.db2.gz ZKELXCXZAMXNLI-SFHVURJKSA-N 1 0 310.372 4.009 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1C#N ZINC000926963790 1043664240 /nfs/dbraw/zinc/66/42/40/1043664240.db2.gz GGTUSVRGCJIJAO-KRWDZBQOSA-N 1 0 312.413 4.333 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1C#N ZINC000926966195 1043664318 /nfs/dbraw/zinc/66/43/18/1043664318.db2.gz IEWOYPZVRBTHNR-QGZVFWFLSA-N 1 0 312.413 4.333 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000125808855 1043665566 /nfs/dbraw/zinc/66/55/66/1043665566.db2.gz CUPVYCVUQOETOP-HOTGVXAUSA-N 1 0 324.424 4.179 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927041487 1043673148 /nfs/dbraw/zinc/67/31/48/1043673148.db2.gz ZDONHYRAOAKPAC-FUHWJXTLSA-N 1 0 312.482 4.344 20 30 DIEDRO CC[C@@]1(C)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000354099992 1043681422 /nfs/dbraw/zinc/68/14/22/1043681422.db2.gz IWFNAMGARMOVGC-FQEVSTJZSA-N 1 0 322.456 4.086 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000559054125 1043682751 /nfs/dbraw/zinc/68/27/51/1043682751.db2.gz KQMGKFFSIMFTCH-GJZGRUSLSA-N 1 0 308.853 4.478 20 30 DIEDRO C=C(Br)C[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC000125955198 1043683752 /nfs/dbraw/zinc/68/37/52/1043683752.db2.gz HBFAFPAFXXBCEW-YFHOEESVSA-N 1 0 300.627 4.242 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(CCN(CC(C)C)C2=O)CC1 ZINC001275331722 1043704128 /nfs/dbraw/zinc/70/41/28/1043704128.db2.gz YQWKYQTXTXWZRM-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000895564024 1043707221 /nfs/dbraw/zinc/70/72/21/1043707221.db2.gz QMPIGZDWXRCQTF-FUHWJXTLSA-N 1 0 322.456 4.196 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(C(=O)OCC)co1)c1ccccc1 ZINC000354548331 1043708899 /nfs/dbraw/zinc/70/88/99/1043708899.db2.gz LRAAVNHCAGWIBZ-SFHVURJKSA-N 1 0 313.397 4.253 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000876803473 1043711857 /nfs/dbraw/zinc/71/18/57/1043711857.db2.gz IOIYCZDHSUQIAA-IXDOHACOSA-N 1 0 320.502 4.356 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000876803474 1043712116 /nfs/dbraw/zinc/71/21/16/1043712116.db2.gz IOIYCZDHSUQIAA-ZACQAIPSSA-N 1 0 320.502 4.356 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc2ccccc2c1 ZINC000876984938 1043730448 /nfs/dbraw/zinc/73/04/48/1043730448.db2.gz QBKGUGGCFAAHHX-INIZCTEOSA-N 1 0 308.425 4.028 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1cc(C)ccc1O)c1ccc(F)c(F)c1 ZINC000187371009 1043733902 /nfs/dbraw/zinc/73/39/02/1043733902.db2.gz OCWAKZZDSOOQBG-SFHVURJKSA-N 1 0 303.352 4.386 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1 ZINC000187373357 1043734080 /nfs/dbraw/zinc/73/40/80/1043734080.db2.gz FXHBUVKEHAJMDC-IBGZPJMESA-N 1 0 315.363 4.307 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(C)C ZINC000877024790 1043734905 /nfs/dbraw/zinc/73/49/05/1043734905.db2.gz OJAVOGTZCROARF-QGZVFWFLSA-N 1 0 313.832 4.402 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CC1(F)F ZINC000877050404 1043736627 /nfs/dbraw/zinc/73/66/27/1043736627.db2.gz ZPGCWJKFEDDVKD-XHDPSFHLSA-N 1 0 318.392 4.420 20 30 DIEDRO C=CC[C@@H]([NH2+]C[C@H](OC(C)C)c1ccccc1)c1ccncc1 ZINC000877046530 1043737053 /nfs/dbraw/zinc/73/70/53/1043737053.db2.gz OYQPWFJUJBDYHK-UXHICEINSA-N 1 0 310.441 4.455 20 30 DIEDRO C=CC[C@H]([NH2+]C[C@H](OC(C)C)c1ccccc1)c1ccncc1 ZINC000877046529 1043738482 /nfs/dbraw/zinc/73/84/82/1043738482.db2.gz OYQPWFJUJBDYHK-PMACEKPBSA-N 1 0 310.441 4.455 20 30 DIEDRO C=CCC[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000355038434 1043738896 /nfs/dbraw/zinc/73/88/96/1043738896.db2.gz FIJRSJMPOMSXSP-MOPGFXCFSA-N 1 0 314.473 4.075 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(OC)cnc1F)c1ccccc1 ZINC000877115047 1043743822 /nfs/dbraw/zinc/74/38/22/1043743822.db2.gz ANTOQJAZXWURIU-QGZVFWFLSA-N 1 0 300.377 4.026 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)CC[P@](C)(=O)OCC)c1ccccc1 ZINC000877119516 1043745441 /nfs/dbraw/zinc/74/54/41/1043745441.db2.gz GYASRRWNAYQNRL-HZUJVAHNSA-N 1 0 307.374 4.064 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2F)cc1 ZINC001137119287 1043758454 /nfs/dbraw/zinc/75/84/54/1043758454.db2.gz DEEMKKLRNIRKLV-FQEVSTJZSA-N 1 0 324.399 4.455 20 30 DIEDRO C[NH+](C)Cc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000777702979 1043767260 /nfs/dbraw/zinc/76/72/60/1043767260.db2.gz UXOJSWGWTICWEV-FQEVSTJZSA-N 1 0 323.415 4.248 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000877516072 1043770832 /nfs/dbraw/zinc/77/08/32/1043770832.db2.gz BLQYGGUMBNXNMO-GHTZIAJQSA-N 1 0 322.452 4.162 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](C)CC[P@](C)(=O)OCC)CCCC1 ZINC000877572802 1043775962 /nfs/dbraw/zinc/77/59/62/1043775962.db2.gz LGDZMGJAVHVTON-MGPUTAFESA-N 1 0 301.411 4.436 20 30 DIEDRO CC(C)[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000877640271 1043783714 /nfs/dbraw/zinc/78/37/14/1043783714.db2.gz WIRRUBYSSGPVPG-HJYDQQMMSA-N 1 0 320.864 4.070 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000877668731 1043788452 /nfs/dbraw/zinc/78/84/52/1043788452.db2.gz MOROAVJDJZMRAA-NSHDSACASA-N 1 0 305.809 4.246 20 30 DIEDRO COc1ccc(C[N@H+](C)CCCCC2(C#N)CCC2)cc1F ZINC000929172277 1043798124 /nfs/dbraw/zinc/79/81/24/1043798124.db2.gz BHQGJDHLWVJWAW-UHFFFAOYSA-N 1 0 304.409 4.130 20 30 DIEDRO CCN(Cc1coc(C(C)(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929332060 1043810516 /nfs/dbraw/zinc/81/05/16/1043810516.db2.gz YVWSSFARWYDQMH-AWEZNQCLSA-N 1 0 311.429 4.427 20 30 DIEDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356121713 1043815392 /nfs/dbraw/zinc/81/53/92/1043815392.db2.gz JWXYOKSTHVGEIW-NSHDSACASA-N 1 0 316.392 4.150 20 30 DIEDRO N#Cc1csc(CN2CCC[C@H]2CCCc2ccccc2)n1 ZINC000356130890 1043815742 /nfs/dbraw/zinc/81/57/42/1043815742.db2.gz FKNZVPHRRZYWJR-QGZVFWFLSA-N 1 0 311.454 4.002 20 30 DIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)CC2CCC(C#N)CC2)s1 ZINC000929702988 1043835780 /nfs/dbraw/zinc/83/57/80/1043835780.db2.gz NGEQLVSOEGLFHQ-NFOMZHRRSA-N 1 0 305.491 4.337 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1C1CCCC1)c1ccccc1 ZINC000877985999 1043837594 /nfs/dbraw/zinc/83/75/94/1043837594.db2.gz IGXLVOXKVBATOX-LEWJYISDSA-N 1 0 324.468 4.082 20 30 DIEDRO COc1ccc(C2CC[NH+](CC3CCC(C#N)CC3)CC2)cc1 ZINC000929760172 1043838779 /nfs/dbraw/zinc/83/87/79/1043838779.db2.gz XUJAOYHCYWUDFR-UHFFFAOYSA-N 1 0 312.457 4.205 20 30 DIEDRO CC(C)(C)c1csc(C2CC[NH+](CC3(CC#N)CC3)CC2)n1 ZINC000878026236 1043839463 /nfs/dbraw/zinc/83/94/63/1043839463.db2.gz SQSUGUCJPWVSIH-UHFFFAOYSA-N 1 0 317.502 4.314 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878134368 1043851751 /nfs/dbraw/zinc/85/17/51/1043851751.db2.gz PCBYTBUOWDGSMB-FRTACKCFSA-N 1 0 324.468 4.080 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C(C)C)C1CCCC1)c1ccccc1 ZINC000878234547 1043859280 /nfs/dbraw/zinc/85/92/80/1043859280.db2.gz YMOZQEXUDORSBL-FQEVSTJZSA-N 1 0 312.457 4.080 20 30 DIEDRO Cc1nc(C(C)(C)[NH2+]Cc2c(C)cc(C#N)cc2C)sc1C ZINC000930009990 1043865360 /nfs/dbraw/zinc/86/53/60/1043865360.db2.gz PSVSTFZSAPXFAK-UHFFFAOYSA-N 1 0 313.470 4.273 20 30 DIEDRO Cc1nc(C(C)(C)[NH2+]CCCCC2(C#N)CCC2)sc1C ZINC000930010743 1043866123 /nfs/dbraw/zinc/86/61/23/1043866123.db2.gz XCZLRBYEODKKCI-UHFFFAOYSA-N 1 0 305.491 4.449 20 30 DIEDRO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000930015211 1043867478 /nfs/dbraw/zinc/86/74/78/1043867478.db2.gz GYLZKAXYAGVZCP-LADRWXRNSA-N 1 0 322.456 4.040 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)CC1 ZINC000930018476 1043868115 /nfs/dbraw/zinc/86/81/15/1043868115.db2.gz OVWUOMVXELTWMJ-GPANFISMSA-N 1 0 316.470 4.115 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccccc1 ZINC000878367653 1043879243 /nfs/dbraw/zinc/87/92/43/1043879243.db2.gz AGYOMBRBZRGUJS-RTBURBONSA-N 1 0 315.457 4.012 20 30 DIEDRO N#Cc1cncc(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)c1 ZINC000930141037 1043884679 /nfs/dbraw/zinc/88/46/79/1043884679.db2.gz OIJAAEFGICPKEN-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO CCN(Cc1csc(Cl)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289970996 1043900943 /nfs/dbraw/zinc/90/09/43/1043900943.db2.gz JCNHMNKMEJMQNH-NSHDSACASA-N 1 0 305.834 4.251 20 30 DIEDRO CC1(C)CCC[C@H](C[NH2+][C@@H](CCCC#N)c2ccccc2)O1 ZINC000878649180 1043911446 /nfs/dbraw/zinc/91/14/46/1043911446.db2.gz WZQVPEWLZOBEMH-MSOLQXFVSA-N 1 0 300.446 4.359 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC(F)(c3ccccn3)CC2)CCC1 ZINC000930374242 1043916614 /nfs/dbraw/zinc/91/66/14/1043916614.db2.gz SNHNKGTYTPNSIG-UHFFFAOYSA-N 1 0 315.436 4.206 20 30 DIEDRO C#CCCCCC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000878845553 1043923183 /nfs/dbraw/zinc/92/31/83/1043923183.db2.gz ORNAZYDLFNDYEO-UHFFFAOYSA-N 1 0 307.441 4.003 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCCC1(C#N)CCC1)[C@H](O)c1ccccc1 ZINC000930436630 1043926898 /nfs/dbraw/zinc/92/68/98/1043926898.db2.gz HMKVVMCFPDQOMB-RBUKOAKNSA-N 1 0 314.473 4.198 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(O)c2nc(C)ccc12 ZINC000561359932 1043936661 /nfs/dbraw/zinc/93/66/61/1043936661.db2.gz HQSKQIRBYLAUCD-UHFFFAOYSA-N 1 0 324.449 4.499 20 30 DIEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000329159929 1043947488 /nfs/dbraw/zinc/94/74/88/1043947488.db2.gz XXIUONFUQCHMBZ-HZPDHXFCSA-N 1 0 317.477 4.070 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)cc1 ZINC000185717205 1043956824 /nfs/dbraw/zinc/95/68/24/1043956824.db2.gz SJXNMTRALQOCCJ-UHFFFAOYSA-N 1 0 320.436 4.035 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C)c1cccc(OC)c1OC ZINC000879466566 1043968110 /nfs/dbraw/zinc/96/81/10/1043968110.db2.gz UIPIZMCQGNEFSM-GOSISDBHSA-N 1 0 324.424 4.125 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cc2cnccc2o1 ZINC000879713469 1043983073 /nfs/dbraw/zinc/98/30/73/1043983073.db2.gz PSANYIWFJROGAI-AWEZNQCLSA-N 1 0 319.408 4.480 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2nccs2)cc1 ZINC000127998164 1043989022 /nfs/dbraw/zinc/98/90/22/1043989022.db2.gz UAAJJAPUUOMKFP-CYBMUJFWSA-N 1 0 322.861 4.168 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C/C=C/c2ccc(F)cc2)c1 ZINC000128052076 1043996394 /nfs/dbraw/zinc/99/63/94/1043996394.db2.gz VYKNRCFYPPKJTA-OQBYNLHGSA-N 1 0 324.399 4.310 20 30 DIEDRO CC(C)COc1ccccc1CN(CCC#N)CC(C)(C)C ZINC000561771073 1044002256 /nfs/dbraw/zinc/00/22/56/1044002256.db2.gz MJDQADWULXMLKS-UHFFFAOYSA-N 1 0 302.462 4.483 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000358047278 1044012153 /nfs/dbraw/zinc/01/21/53/1044012153.db2.gz MYJNLQASDLNVSE-RISCZKNCSA-N 1 0 310.235 4.217 20 30 DIEDRO COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCC(C)(C)C#N ZINC000880175739 1044018371 /nfs/dbraw/zinc/01/83/71/1044018371.db2.gz DZAISBYKYWBEQE-INIZCTEOSA-N 1 0 318.486 4.115 20 30 DIEDRO CC1(C)CN(Cc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000561958511 1044035715 /nfs/dbraw/zinc/03/57/15/1044035715.db2.gz XDZMOUNIYOXDPE-INIZCTEOSA-N 1 0 300.402 4.342 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnc(Cl)cn1)c1ccccc1 ZINC000880390261 1044036190 /nfs/dbraw/zinc/03/61/90/1044036190.db2.gz PUECFCHWOUDXAW-INIZCTEOSA-N 1 0 301.821 4.317 20 30 DIEDRO CC1(C)CN(Cc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000561958512 1044037011 /nfs/dbraw/zinc/03/70/11/1044037011.db2.gz XDZMOUNIYOXDPE-MRXNPFEDSA-N 1 0 300.402 4.342 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@H](OC3CCC3)CC2)CCC1 ZINC000931537131 1044040887 /nfs/dbraw/zinc/04/08/87/1044040887.db2.gz MDIVFNGADXNOPW-SFHVURJKSA-N 1 0 304.478 4.274 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000880536255 1044045503 /nfs/dbraw/zinc/04/55/03/1044045503.db2.gz FCWNRJJLOLNZBY-JXFKEZNVSA-N 1 0 304.393 4.023 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000522630541 1044056760 /nfs/dbraw/zinc/05/67/60/1044056760.db2.gz QYBDASMJTZWPLV-MRXNPFEDSA-N 1 0 311.425 4.328 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000358338932 1044057945 /nfs/dbraw/zinc/05/79/45/1044057945.db2.gz HLNILESQLFJVMQ-MOPGFXCFSA-N 1 0 310.828 4.442 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)CCC1 ZINC000931707998 1044063202 /nfs/dbraw/zinc/06/32/02/1044063202.db2.gz UHNCMOLTGAJULU-LJQANCHMSA-N 1 0 318.505 4.379 20 30 DIEDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000562088716 1044065432 /nfs/dbraw/zinc/06/54/32/1044065432.db2.gz IBVVYLSPENXDBO-XMDBHEJHSA-N 1 0 302.421 4.459 20 30 DIEDRO Cc1csc(C2(N[C@H](C)c3ccc(C#N)cc3F)CCC2)n1 ZINC000358439352 1044070633 /nfs/dbraw/zinc/07/06/33/1044070633.db2.gz HNDKPCGPZFSTNB-GFCCVEGCSA-N 1 0 315.417 4.192 20 30 DIEDRO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)c2ccc(C#N)cc2)o1 ZINC000248597525 1044071792 /nfs/dbraw/zinc/07/17/92/1044071792.db2.gz ATELKDJSJAYAMK-KDOFPFPSSA-N 1 0 310.397 4.196 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931797260 1044073163 /nfs/dbraw/zinc/07/31/63/1044073163.db2.gz ULPORMJEXBGENY-IBGZPJMESA-N 1 0 322.456 4.077 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237405915 1044080914 /nfs/dbraw/zinc/08/09/14/1044080914.db2.gz NHJOHEDQFUXOSB-GFCCVEGCSA-N 1 0 316.332 4.190 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358579566 1044083286 /nfs/dbraw/zinc/08/32/86/1044083286.db2.gz WSXUCUDRYSWPGE-ZUOKHONESA-N 1 0 324.399 4.434 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910567 1044083939 /nfs/dbraw/zinc/08/39/39/1044083939.db2.gz FHYKSDHWKXDYIL-ZDUSSCGKSA-N 1 0 306.347 4.073 20 30 DIEDRO FC(F)(F)CCCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931917878 1044084036 /nfs/dbraw/zinc/08/40/36/1044084036.db2.gz MHXXHPNBYIAYIN-SECBINFHSA-N 1 0 307.253 4.085 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc(C#N)cc1F ZINC000358577833 1044084004 /nfs/dbraw/zinc/08/40/04/1044084004.db2.gz VIXGDLQUPTZVTO-FZKQIMNGSA-N 1 0 310.372 4.262 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000280943519 1044084696 /nfs/dbraw/zinc/08/46/96/1044084696.db2.gz WMTLFTUBUXBQJL-YEWWUXTCSA-N 1 0 321.486 4.049 20 30 DIEDRO N#CC1(CC[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CCCCC1 ZINC000931910850 1044085776 /nfs/dbraw/zinc/08/57/76/1044085776.db2.gz IZRVQOPGWPKOCU-AWEZNQCLSA-N 1 0 318.358 4.217 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932194364 1044107918 /nfs/dbraw/zinc/10/79/18/1044107918.db2.gz RKILJMDMRFFJOY-AWEZNQCLSA-N 1 0 317.502 4.141 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932203942 1044109115 /nfs/dbraw/zinc/10/91/15/1044109115.db2.gz NFGCAFFWROYJOY-GDBMZVCRSA-N 1 0 311.454 4.030 20 30 DIEDRO CC(C)C[C@H]([NH2+]CCCC#N)c1cccc(Br)c1 ZINC000358991196 1044119097 /nfs/dbraw/zinc/11/90/97/1044119097.db2.gz UDJAQURKNURZBX-HNNXBMFYSA-N 1 0 309.251 4.430 20 30 DIEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(F)ccc1OC ZINC000932470579 1044131422 /nfs/dbraw/zinc/13/14/22/1044131422.db2.gz AGAKLKTULQFURF-MQBCKMQZSA-N 1 0 304.409 4.205 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)ccc1C#N ZINC000443988242 1044147927 /nfs/dbraw/zinc/14/79/27/1044147927.db2.gz LOOFGMRQVSQWLB-SFTDATJTSA-N 1 0 320.436 4.094 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932619387 1044149830 /nfs/dbraw/zinc/14/98/30/1044149830.db2.gz KYCVZMYPDBRKRN-UHFFFAOYSA-N 1 0 317.502 4.141 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)cc1 ZINC000129455580 1044152436 /nfs/dbraw/zinc/15/24/36/1044152436.db2.gz QWBCCGJWONOIHF-FOIQADDNSA-N 1 0 320.436 4.490 20 30 DIEDRO Cc1csc(C[C@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000933125063 1044186839 /nfs/dbraw/zinc/18/68/39/1044186839.db2.gz FBASDWXLFOPFBF-OAHLLOKOSA-N 1 0 305.491 4.036 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(Oc3ccccc3)nn2)CCCCC1 ZINC000933265201 1044190034 /nfs/dbraw/zinc/19/00/34/1044190034.db2.gz UIFWZDMIKQIPKV-UHFFFAOYSA-N 1 0 321.424 4.085 20 30 DIEDRO CC(=O)c1cccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000933608388 1044201220 /nfs/dbraw/zinc/20/12/20/1044201220.db2.gz ZCXUGOWKUXVBKT-UHFFFAOYSA-N 1 0 318.420 4.140 20 30 DIEDRO COc1c(C)cc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1C ZINC000130436025 1044202716 /nfs/dbraw/zinc/20/27/16/1044202716.db2.gz OFGXMYJQDPZGJC-LJQANCHMSA-N 1 0 308.425 4.447 20 30 DIEDRO CCOCCC1(CNC(=[NH2+])Nc2ccc([C@@H](C)CC)cc2)CC1 ZINC000130621404 1044209671 /nfs/dbraw/zinc/20/96/71/1044209671.db2.gz JHLFAKGQXVDGGQ-HNNXBMFYSA-N 1 0 317.477 4.134 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cccc(Cl)c1N)c1ccccc1 ZINC000883130374 1044223242 /nfs/dbraw/zinc/22/32/42/1044223242.db2.gz CBKKKCMYVMUZMQ-KRWDZBQOSA-N 1 0 313.832 4.447 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@H]1CCCO1 ZINC000883178090 1044230048 /nfs/dbraw/zinc/23/00/48/1044230048.db2.gz OQQLCZOYCFFEHB-LSDHHAIUSA-N 1 0 318.442 4.007 20 30 DIEDRO C=CCCC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000883183641 1044230732 /nfs/dbraw/zinc/23/07/32/1044230732.db2.gz GLFRIORBTBHZPV-MHJFOBGBSA-N 1 0 314.473 4.121 20 30 DIEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1c(C)noc1C ZINC000883190931 1044232893 /nfs/dbraw/zinc/23/28/93/1044232893.db2.gz OKWROBCXEQEGAE-BEFAXECRSA-N 1 0 312.457 4.390 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C1CCN(C(=O)CC)CC1)c1ccccc1 ZINC000883193920 1044233018 /nfs/dbraw/zinc/23/30/18/1044233018.db2.gz IOUQGURUZVHNOO-LJQANCHMSA-N 1 0 314.473 4.075 20 30 DIEDRO Cc1cccnc1[C@@H](NCc1ccc(F)cc1C#N)C(C)(C)C ZINC000934289747 1044235714 /nfs/dbraw/zinc/23/57/14/1044235714.db2.gz JWSXYAQEMOXFOZ-GOSISDBHSA-N 1 0 311.404 4.278 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccccc1 ZINC000883236223 1044241353 /nfs/dbraw/zinc/24/13/53/1044241353.db2.gz WJKVAQCAZBGIGL-LJQANCHMSA-N 1 0 309.457 4.485 20 30 DIEDRO C=CCC[C@H](Cc1ccccc1)[NH2+]Cc1nn(C)cc1C(F)F ZINC000883242626 1044243066 /nfs/dbraw/zinc/24/30/66/1044243066.db2.gz MEYHAUXTSYPFOT-OAHLLOKOSA-N 1 0 319.399 4.025 20 30 DIEDRO C=CCCC[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccccc1 ZINC000883244793 1044244235 /nfs/dbraw/zinc/24/42/35/1044244235.db2.gz XBGBCLYCXYNCLF-QZTJIDSGSA-N 1 0 301.430 4.017 20 30 DIEDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000883258112 1044247644 /nfs/dbraw/zinc/24/76/44/1044247644.db2.gz RGAPCWRBHFNYEM-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000293273486 1044266279 /nfs/dbraw/zinc/26/62/79/1044266279.db2.gz CKFAPEAZFAKZLJ-AUUYWEPGSA-N 1 0 322.408 4.147 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000896945747 1044269220 /nfs/dbraw/zinc/26/92/20/1044269220.db2.gz JTRQMTCMFMYIMJ-UHFFFAOYSA-N 1 0 317.502 4.141 20 30 DIEDRO C=CCCCCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000563482366 1044269533 /nfs/dbraw/zinc/26/95/33/1044269533.db2.gz LRAWUMROBAXEFY-ROUUACIJSA-N 1 0 308.416 4.046 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934693584 1044272175 /nfs/dbraw/zinc/27/21/75/1044272175.db2.gz SYVHVKZHCMEPKF-IBGZPJMESA-N 1 0 305.425 4.124 20 30 DIEDRO CCC1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCOCC1 ZINC000360656902 1044295930 /nfs/dbraw/zinc/29/59/30/1044295930.db2.gz LAKOFEFMTQXJMX-LJQANCHMSA-N 1 0 312.457 4.122 20 30 DIEDRO COC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655678 1044297183 /nfs/dbraw/zinc/29/71/83/1044297183.db2.gz DRQISZQAFNORKX-LEWJYISDSA-N 1 0 320.436 4.303 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000523009247 1044307860 /nfs/dbraw/zinc/30/78/60/1044307860.db2.gz TYBVQGYXIIUNQE-GOSISDBHSA-N 1 0 310.397 4.147 20 30 DIEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360842342 1044316499 /nfs/dbraw/zinc/31/64/99/1044316499.db2.gz WFTLUGCWNLFAAM-BTYIYWSLSA-N 1 0 320.436 4.252 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1 ZINC000360838156 1044317274 /nfs/dbraw/zinc/31/72/74/1044317274.db2.gz AZQRJNWUIHEHBO-IBGZPJMESA-N 1 0 312.363 4.394 20 30 DIEDRO COCC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccco1 ZINC000360870698 1044321703 /nfs/dbraw/zinc/32/17/03/1044321703.db2.gz IBWSJMSKUBHEGA-OALUTQOASA-N 1 0 324.424 4.286 20 30 DIEDRO COCCC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)cc1 ZINC000348227031 1044321857 /nfs/dbraw/zinc/32/18/57/1044321857.db2.gz NAABMJKOIRPLLO-KRWDZBQOSA-N 1 0 306.425 4.213 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000360872257 1044322108 /nfs/dbraw/zinc/32/21/08/1044322108.db2.gz LYENHZLRXOUYOW-RBUKOAKNSA-N 1 0 322.383 4.188 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCCCS1 ZINC000360874407 1044322360 /nfs/dbraw/zinc/32/23/60/1044322360.db2.gz SNUZGIUZHVYUAY-WMZOPIPTSA-N 1 0 300.471 4.201 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000360872258 1044323314 /nfs/dbraw/zinc/32/33/14/1044323314.db2.gz LYENHZLRXOUYOW-RTBURBONSA-N 1 0 322.383 4.188 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OC)c(OCC(C)C)c1 ZINC001202554409 1044324564 /nfs/dbraw/zinc/32/45/64/1044324564.db2.gz GGFAUOLUMMPFPU-UHFFFAOYSA-N 1 0 305.462 4.422 20 30 DIEDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)ccc1C#N ZINC001202561305 1044352484 /nfs/dbraw/zinc/35/24/84/1044352484.db2.gz SPNLXZAXDJWBEF-VQTJNVASSA-N 1 0 320.436 4.240 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CC(C(C)(C)C)C1 ZINC001202579061 1044363030 /nfs/dbraw/zinc/36/30/30/1044363030.db2.gz FLYPRGZWZUYCHJ-UHFFFAOYSA-N 1 0 305.849 4.266 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000475342871 1044371023 /nfs/dbraw/zinc/37/10/23/1044371023.db2.gz MDHUOURUTUSLPW-YJBOKZPZSA-N 1 0 312.363 4.262 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(Sc3ccccc3)CC1)CC2 ZINC000564432908 1044378683 /nfs/dbraw/zinc/37/86/83/1044378683.db2.gz YMJCKQYUGXXTPL-IBGZPJMESA-N 1 0 320.461 4.460 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2CCC(c3ccccc3)CC2)n1 ZINC000564498133 1044386081 /nfs/dbraw/zinc/38/60/81/1044386081.db2.gz QQFRJOJWXYBSTL-UHFFFAOYSA-N 1 0 311.454 4.078 20 30 DIEDRO CCCCN(CC#N)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168064922 1044398054 /nfs/dbraw/zinc/39/80/54/1044398054.db2.gz SIXRZSFFZCJRPU-QZTJIDSGSA-N 1 0 313.489 4.054 20 30 DIEDRO CCCCN(CC#N)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168064921 1044398361 /nfs/dbraw/zinc/39/83/61/1044398361.db2.gz SIXRZSFFZCJRPU-OPVJXMOQSA-N 1 0 313.489 4.054 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCCc3cc(C#N)ccc31)CO2 ZINC000564809709 1044404083 /nfs/dbraw/zinc/40/40/83/1044404083.db2.gz PGNNFUWHLJPIHW-PMACEKPBSA-N 1 0 318.420 4.358 20 30 DIEDRO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(CCC#N)CC1 ZINC000564915694 1044408135 /nfs/dbraw/zinc/40/81/35/1044408135.db2.gz AHIOSUQGJMGKNS-CYBMUJFWSA-N 1 0 308.372 4.365 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000565109742 1044414962 /nfs/dbraw/zinc/41/49/62/1044414962.db2.gz MOUGJAHIPAVEFT-HXUWFJFHSA-N 1 0 306.409 4.124 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cn1)CC1CCC1 ZINC000565158651 1044418976 /nfs/dbraw/zinc/41/89/76/1044418976.db2.gz UKWVEECLSQRBEN-MRXNPFEDSA-N 1 0 305.425 4.317 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000565353373 1044429819 /nfs/dbraw/zinc/42/98/19/1044429819.db2.gz ZPAMXYLKRBSXQT-UKPHBRMFSA-N 1 0 301.821 4.009 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2CCCOC2)c1 ZINC001202638997 1044430615 /nfs/dbraw/zinc/43/06/15/1044430615.db2.gz SFTUEVVHVRUXMB-SFHVURJKSA-N 1 0 305.462 4.304 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)c1ccc(OCC#N)cc1 ZINC000320635136 1044438928 /nfs/dbraw/zinc/43/89/28/1044438928.db2.gz GVKCPDKTUFAHTJ-OAHLLOKOSA-N 1 0 300.446 4.456 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)cc1F ZINC000449732852 1044446096 /nfs/dbraw/zinc/44/60/96/1044446096.db2.gz DNYANVFQWOQBDE-UHFFFAOYSA-N 1 0 324.399 4.309 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565738378 1044452139 /nfs/dbraw/zinc/45/21/39/1044452139.db2.gz STJYHBSXYRYSOR-FOIQADDNSA-N 1 0 322.452 4.283 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc(C)c1O ZINC000565860209 1044461841 /nfs/dbraw/zinc/46/18/41/1044461841.db2.gz LYLCWVGZXHUIIO-UXHICEINSA-N 1 0 320.436 4.281 20 30 DIEDRO N#Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000566215863 1044476970 /nfs/dbraw/zinc/47/69/70/1044476970.db2.gz YRESPRWAVBMODF-FQEVSTJZSA-N 1 0 317.436 4.167 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000609916455 1044478016 /nfs/dbraw/zinc/47/80/16/1044478016.db2.gz PWRUMFLNMVLPMM-CJNGLKHVSA-N 1 0 312.363 4.214 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000186556152 1044482609 /nfs/dbraw/zinc/48/26/09/1044482609.db2.gz MIZBMWKAEGMOEF-OAHLLOKOSA-N 1 0 323.415 4.335 20 30 DIEDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000566396583 1044489517 /nfs/dbraw/zinc/48/95/17/1044489517.db2.gz LAAXZXUVDKIKFG-JXFKEZNVSA-N 1 0 320.436 4.225 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCc2ccc(OC(C)C)cc2)cc1C ZINC000303784893 1044509140 /nfs/dbraw/zinc/50/91/40/1044509140.db2.gz PVOZNFUNNPOSMU-UHFFFAOYSA-N 1 0 311.429 4.017 20 30 DIEDRO C=CCCC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000303987686 1044518781 /nfs/dbraw/zinc/51/87/81/1044518781.db2.gz LZECTHRGFRNRRI-UHFFFAOYSA-N 1 0 316.445 4.040 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCSC2)cc1Cl ZINC000567195966 1044549862 /nfs/dbraw/zinc/54/98/62/1044549862.db2.gz YVIKZCRTEOEULK-CQSZACIVSA-N 1 0 311.878 4.138 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccco1 ZINC000567258140 1044553666 /nfs/dbraw/zinc/55/36/66/1044553666.db2.gz QAFSTSQJGZYUHP-RTBURBONSA-N 1 0 310.441 4.151 20 30 DIEDRO C=C(Cl)CNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000135585819 1044554417 /nfs/dbraw/zinc/55/44/17/1044554417.db2.gz QTDRJMHFWKSCLQ-UHFFFAOYSA-N 1 0 304.802 4.398 20 30 DIEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362960351 1044570103 /nfs/dbraw/zinc/57/01/03/1044570103.db2.gz MLKYOZGHZHVVBJ-RHSMWYFYSA-N 1 0 324.428 4.009 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2nc(Cl)ccc21)c1ccc(C#N)cc1 ZINC000295861790 1044570220 /nfs/dbraw/zinc/57/02/20/1044570220.db2.gz GPZZBWDBPLYHKW-MLGOLLRUSA-N 1 0 311.816 4.335 20 30 DIEDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362963956 1044571195 /nfs/dbraw/zinc/57/11/95/1044571195.db2.gz QXDGPTLWSNABJR-KRWDZBQOSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000444595819 1044571458 /nfs/dbraw/zinc/57/14/58/1044571458.db2.gz KEAMYTNSMGVFRR-IBGZPJMESA-N 1 0 314.473 4.388 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1ccco1 ZINC000353515785 1044576516 /nfs/dbraw/zinc/57/65/16/1044576516.db2.gz FKWYSYJEIBPHQK-CJNGLKHVSA-N 1 0 313.401 4.128 20 30 DIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NC[C@@H](C#N)CCC#N ZINC000567706426 1044580145 /nfs/dbraw/zinc/58/01/45/1044580145.db2.gz QUPJRASMEAITLV-QGZVFWFLSA-N 1 0 310.445 4.231 20 30 DIEDRO CC(C)[C@@H](CO)[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444650775 1044582687 /nfs/dbraw/zinc/58/26/87/1044582687.db2.gz NMOJMQDTRKBYSR-LJQANCHMSA-N 1 0 316.489 4.226 20 30 DIEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000296057921 1044587678 /nfs/dbraw/zinc/58/76/78/1044587678.db2.gz BGKLUBZFMSKBRW-LJQANCHMSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000444641133 1044588930 /nfs/dbraw/zinc/58/89/30/1044588930.db2.gz OUJBODUQSXEWCU-KRWDZBQOSA-N 1 0 302.437 4.410 20 30 DIEDRO Cc1nc(C2([NH2+]CCCCC(C)(C)C#N)CCCCCC2)no1 ZINC000444643119 1044591451 /nfs/dbraw/zinc/59/14/51/1044591451.db2.gz SNWIUCPAPWLEKY-UHFFFAOYSA-N 1 0 318.465 4.237 20 30 DIEDRO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000444673574 1044597530 /nfs/dbraw/zinc/59/75/30/1044597530.db2.gz NDSJRHWGCZLGRO-SFHVURJKSA-N 1 0 313.489 4.307 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1nc(C2CCCCC2)no1 ZINC000444690557 1044606738 /nfs/dbraw/zinc/60/67/38/1044606738.db2.gz UGMKADLFEMCSPA-AWEZNQCLSA-N 1 0 318.465 4.488 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2OC(C)C)ccc1C#N ZINC000568351163 1044618941 /nfs/dbraw/zinc/61/89/41/1044618941.db2.gz BJGDQBWNAUCPIX-HNNXBMFYSA-N 1 0 324.424 4.205 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000568439795 1044625189 /nfs/dbraw/zinc/62/51/89/1044625189.db2.gz CHWMYSSXUICGCR-MRXNPFEDSA-N 1 0 312.413 4.117 20 30 DIEDRO N#CCCC[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccccc1 ZINC000886216240 1044627223 /nfs/dbraw/zinc/62/72/23/1044627223.db2.gz ZRIIBIVEVDOEBI-OALUTQOASA-N 1 0 312.457 4.360 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCSC(F)(F)F)c1ccccc1 ZINC000886215724 1044627254 /nfs/dbraw/zinc/62/72/54/1044627254.db2.gz PWKQTNDERLPXQJ-CYBMUJFWSA-N 1 0 302.365 4.264 20 30 DIEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CCC1 ZINC000886241363 1044628272 /nfs/dbraw/zinc/62/82/72/1044628272.db2.gz WNKXDAYCXXAFNC-MOPGFXCFSA-N 1 0 324.468 4.049 20 30 DIEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CCC1 ZINC000886241366 1044629264 /nfs/dbraw/zinc/62/92/64/1044629264.db2.gz WNKXDAYCXXAFNC-RTBURBONSA-N 1 0 324.468 4.049 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001137899920 1044630079 /nfs/dbraw/zinc/63/00/79/1044630079.db2.gz KMNYWFNYIZRSCE-MRXNPFEDSA-N 1 0 305.425 4.168 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886318455 1044631390 /nfs/dbraw/zinc/63/13/90/1044631390.db2.gz TVZKAZVIPYHFDL-KRWDZBQOSA-N 1 0 311.385 4.177 20 30 DIEDRO C=C(C)CN1CC[C@]2(CCC[N@@H+](CCC/C=C\CC)CC2)C1=O ZINC001275844905 1044635389 /nfs/dbraw/zinc/63/53/89/1044635389.db2.gz WUASRMQAHWQALL-KKHYBRAUSA-N 1 0 318.505 4.014 20 30 DIEDRO N#CCc1ccc(C[NH2+]CCCCCOc2ccccc2)cc1 ZINC000568629647 1044640925 /nfs/dbraw/zinc/64/09/25/1044640925.db2.gz LIZKPMTYWBBMSN-UHFFFAOYSA-N 1 0 308.425 4.092 20 30 DIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000568763339 1044649280 /nfs/dbraw/zinc/64/92/80/1044649280.db2.gz GWPYEXMLQIDGKW-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000523556795 1044658287 /nfs/dbraw/zinc/65/82/87/1044658287.db2.gz NHGJGDKSYXXDBT-MRXNPFEDSA-N 1 0 320.452 4.023 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H](C)c1cncc(C(=O)OC)c1)c1ccccc1 ZINC000886553122 1044658986 /nfs/dbraw/zinc/65/89/86/1044658986.db2.gz DSSNISPHAKXNKQ-DNVCBOLYSA-N 1 0 324.424 4.226 20 30 DIEDRO CO[C@@H]1CCC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000886614475 1044668290 /nfs/dbraw/zinc/66/82/90/1044668290.db2.gz YCNDWEWHNJZYEY-IPMKNSEASA-N 1 0 300.446 4.359 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)C1 ZINC000886617771 1044671268 /nfs/dbraw/zinc/67/12/68/1044671268.db2.gz YCOAJRAIELSBIK-YEWDVWPNSA-N 1 0 311.404 4.356 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)c1 ZINC000886686346 1044679049 /nfs/dbraw/zinc/67/90/49/1044679049.db2.gz NZHITBDENVUPML-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1C#N ZINC000886689792 1044680873 /nfs/dbraw/zinc/68/08/73/1044680873.db2.gz HTFDKYIUDVWOHQ-CYBMUJFWSA-N 1 0 312.438 4.145 20 30 DIEDRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886690105 1044680917 /nfs/dbraw/zinc/68/09/17/1044680917.db2.gz OMDJGCNJXBPFAZ-LLVKDONJSA-N 1 0 318.467 4.201 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cn2)cc1C#N ZINC000886690080 1044680942 /nfs/dbraw/zinc/68/09/42/1044680942.db2.gz NVMMZQKBODMYGZ-LLVKDONJSA-N 1 0 317.845 4.179 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](c2ccccn2)C(C)C)cc1C#N ZINC000886689602 1044682023 /nfs/dbraw/zinc/68/20/23/1044682023.db2.gz DHWUMFREOCQIJH-GOSISDBHSA-N 1 0 311.454 4.162 20 30 DIEDRO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886688620 1044682063 /nfs/dbraw/zinc/68/20/63/1044682063.db2.gz WJHJCMZMVORTJP-CYBMUJFWSA-N 1 0 311.454 4.088 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc1C#N ZINC000886688626 1044682070 /nfs/dbraw/zinc/68/20/70/1044682070.db2.gz WLUKRAYQDYULMH-KRWDZBQOSA-N 1 0 312.413 4.196 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](c2ccccn2)C(C)C)cc1C#N ZINC000886689603 1044682121 /nfs/dbraw/zinc/68/21/21/1044682121.db2.gz DHWUMFREOCQIJH-SFHVURJKSA-N 1 0 311.454 4.162 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c(F)c1 ZINC000523760203 1044682481 /nfs/dbraw/zinc/68/24/81/1044682481.db2.gz HYXPXRMHGFMQTA-UHFFFAOYSA-N 1 0 312.363 4.249 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886712534 1044687246 /nfs/dbraw/zinc/68/72/46/1044687246.db2.gz GFOKCUKCJRPKOX-MSOLQXFVSA-N 1 0 309.494 4.077 20 30 DIEDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCCSCC#N)C2CC2)o1 ZINC000074980543 1044687349 /nfs/dbraw/zinc/68/73/49/1044687349.db2.gz POLSTYLQSLFLFO-CJNGLKHVSA-N 1 0 304.459 4.014 20 30 DIEDRO CCCCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000075623907 1044688804 /nfs/dbraw/zinc/68/88/04/1044688804.db2.gz QOSFEUXVXILEDU-UHFFFAOYSA-N 1 0 312.417 4.009 20 30 DIEDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC(C)(C)CCC#N ZINC000155242609 1044688967 /nfs/dbraw/zinc/68/89/67/1044688967.db2.gz WDQLEKLBIBZKLB-UHFFFAOYSA-N 1 0 313.489 4.439 20 30 DIEDRO C=CCC1(O)CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000886764442 1044694105 /nfs/dbraw/zinc/69/41/05/1044694105.db2.gz SRQJAEYRZCICST-ZDUSSCGKSA-N 1 0 313.363 4.169 20 30 DIEDRO C[C@@H]([NH2+]CCOC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569638057 1044701056 /nfs/dbraw/zinc/70/10/56/1044701056.db2.gz HDUPSDINEPZRDY-MRXNPFEDSA-N 1 0 320.436 4.445 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000523935839 1044705091 /nfs/dbraw/zinc/70/50/91/1044705091.db2.gz KNAUPPQJEJAYNR-KBXCAEBGSA-N 1 0 312.388 4.060 20 30 DIEDRO C=CC[N@@H+](CCCSCC#N)Cc1ccc(Cl)s1 ZINC000080626018 1044716715 /nfs/dbraw/zinc/71/67/15/1044716715.db2.gz HKEFNJFLQPPCEL-UHFFFAOYSA-N 1 0 300.880 4.036 20 30 DIEDRO C[C@@H]1CCC[N@H+](CCCCNc2cc(Cl)ccc2C#N)C1 ZINC000524053251 1044727645 /nfs/dbraw/zinc/72/76/45/1044727645.db2.gz ZUNURZGPLDTAHY-CQSZACIVSA-N 1 0 305.853 4.136 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000570211534 1044739683 /nfs/dbraw/zinc/73/96/83/1044739683.db2.gz HHRPXCPNOHIQRN-IBGZPJMESA-N 1 0 318.420 4.289 20 30 DIEDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000570474593 1044761445 /nfs/dbraw/zinc/76/14/45/1044761445.db2.gz BADIQEFETVQQHM-IBGZPJMESA-N 1 0 321.424 4.148 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)CC2 ZINC000570978063 1044791921 /nfs/dbraw/zinc/79/19/21/1044791921.db2.gz NKPBIOXUPQQQJY-HMXCVIKNSA-N 1 0 302.421 4.471 20 30 DIEDRO CC(C)(C)c1csc(C2CC[NH+](CCCCC#N)CC2)n1 ZINC000368878513 1044792498 /nfs/dbraw/zinc/79/24/98/1044792498.db2.gz ZXBDRHGDJRCUSY-UHFFFAOYSA-N 1 0 305.491 4.314 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cc(C)nc(N2CCCC2)c1 ZINC000571096800 1044797485 /nfs/dbraw/zinc/79/74/85/1044797485.db2.gz TWOKLFYPLNPXIE-GOSISDBHSA-N 1 0 301.478 4.215 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000034992799 1044797534 /nfs/dbraw/zinc/79/75/34/1044797534.db2.gz MAEZLVQOTIOING-CYBMUJFWSA-N 1 0 300.789 4.093 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC001253562114 1044799333 /nfs/dbraw/zinc/79/93/33/1044799333.db2.gz AYMQLTOFPAUUKP-LJQANCHMSA-N 1 0 313.526 4.115 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC001202760674 1044807410 /nfs/dbraw/zinc/80/74/10/1044807410.db2.gz UVPSEHLOETUJCO-UHFFFAOYSA-N 1 0 302.365 4.328 20 30 DIEDRO Cc1ccc(C[NH2+]CC(C)(C)CCC#N)c(Br)c1 ZINC000571440399 1044814502 /nfs/dbraw/zinc/81/45/02/1044814502.db2.gz RDNUDPKVKPNZCN-UHFFFAOYSA-N 1 0 309.251 4.177 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000264073475 1044848097 /nfs/dbraw/zinc/84/80/97/1044848097.db2.gz BZVSFCMQLMNLFF-INIZCTEOSA-N 1 0 324.424 4.181 20 30 DIEDRO N#CCOc1ccc(C[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000264124366 1044855079 /nfs/dbraw/zinc/85/50/79/1044855079.db2.gz LJCGMNHPFWOBGR-UHFFFAOYSA-N 1 0 310.397 4.127 20 30 DIEDRO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000337144108 1044870836 /nfs/dbraw/zinc/87/08/36/1044870836.db2.gz WGSJAIZYPUJHMR-AWEZNQCLSA-N 1 0 322.399 4.058 20 30 DIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000572756800 1044874723 /nfs/dbraw/zinc/87/47/23/1044874723.db2.gz BWCZNMPCQJGVDQ-OAQYLSRUSA-N 1 0 320.436 4.084 20 30 DIEDRO C(#Cc1ccccc1)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000572908277 1044880804 /nfs/dbraw/zinc/88/08/04/1044880804.db2.gz GBDXNXXVGFBPQF-UHFFFAOYSA-N 1 0 311.469 4.099 20 30 DIEDRO C=CCCC[N@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC001168086477 1044904820 /nfs/dbraw/zinc/90/48/20/1044904820.db2.gz QMBDUTLZFISHAJ-ZSXDVEMLSA-N 1 0 320.521 4.137 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000573886247 1044930457 /nfs/dbraw/zinc/93/04/57/1044930457.db2.gz FMMBVPULUCRPSQ-PMACEKPBSA-N 1 0 308.400 4.318 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000372970448 1044930989 /nfs/dbraw/zinc/93/09/89/1044930989.db2.gz UHFWSNJRWRMUCF-UHFFFAOYSA-N 1 0 305.853 4.244 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000373021556 1044935797 /nfs/dbraw/zinc/93/57/97/1044935797.db2.gz OFGSRMUSXDBZED-WOJBJXKFSA-N 1 0 319.452 4.120 20 30 DIEDRO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H]1C ZINC000574468498 1044955025 /nfs/dbraw/zinc/95/50/25/1044955025.db2.gz KODNHDKQWPRFDD-QZTJIDSGSA-N 1 0 304.437 4.227 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000574609068 1044963450 /nfs/dbraw/zinc/96/34/50/1044963450.db2.gz OAIXLCMPZKKGNM-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO CC(C)COC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135136282 1044975249 /nfs/dbraw/zinc/97/52/49/1044975249.db2.gz MXZBFQJBPSVOHT-UHFFFAOYSA-N 1 0 314.473 4.125 20 30 DIEDRO COc1ccc(CCC2CC[NH+]([C@@H](C)CCC#N)CC2)cc1 ZINC000411159443 1044978666 /nfs/dbraw/zinc/97/86/66/1044978666.db2.gz YKPCUEAYLINWHG-INIZCTEOSA-N 1 0 300.446 4.032 20 30 DIEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135346273 1044979069 /nfs/dbraw/zinc/97/90/69/1044979069.db2.gz IQXHQXAGMJNCTD-PBHICJAKSA-N 1 0 324.428 4.009 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCO[C@H]1CCCCO1)c1ccccc1 ZINC000338286300 1044991231 /nfs/dbraw/zinc/99/12/31/1044991231.db2.gz KYHVVJMHSXRSRQ-MOPGFXCFSA-N 1 0 303.446 4.217 20 30 DIEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000411315936 1044995492 /nfs/dbraw/zinc/99/54/92/1044995492.db2.gz KCARMFVJWMLJGB-AAEUAGOBSA-N 1 0 313.228 4.139 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000283032862 1044998664 /nfs/dbraw/zinc/99/86/64/1044998664.db2.gz NHHJZJXAZIGMPJ-CYBMUJFWSA-N 1 0 314.376 4.174 20 30 DIEDRO Cc1nc(C(C)(C)[NH2+]CCC2(C#N)CCCCC2)sc1C ZINC000411394929 1045002048 /nfs/dbraw/zinc/00/20/48/1045002048.db2.gz YYHFPQYWXHNMFX-UHFFFAOYSA-N 1 0 305.491 4.449 20 30 DIEDRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCC1(C#N)CCCCC1)CC2 ZINC000411407143 1045006073 /nfs/dbraw/zinc/00/60/73/1045006073.db2.gz KQKOPADKKGWOSU-UHFFFAOYSA-N 1 0 324.468 4.154 20 30 DIEDRO N#CC1(CC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CCCCC1 ZINC000411465854 1045008385 /nfs/dbraw/zinc/00/83/85/1045008385.db2.gz YFJFFJBLNWOEDS-MOPGFXCFSA-N 1 0 312.457 4.218 20 30 DIEDRO Cc1csc([C@H]([NH2+]CCC2(C#N)CCCCC2)C2CC2)n1 ZINC000411481513 1045010099 /nfs/dbraw/zinc/01/00/99/1045010099.db2.gz QUMYHAXZMBTCEW-OAHLLOKOSA-N 1 0 303.475 4.356 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1-n1cccn1 ZINC000373883279 1045018636 /nfs/dbraw/zinc/01/86/36/1045018636.db2.gz AWESBMXCMJGJDM-MRXNPFEDSA-N 1 0 310.445 4.243 20 30 DIEDRO CC1CCC([N@@H+](Cc2ccc(C#N)cc2)C[C@H]2CCCO2)CC1 ZINC000525273834 1045023125 /nfs/dbraw/zinc/02/31/25/1045023125.db2.gz XSMZGKOCLHSZFO-RRWXTXHCSA-N 1 0 312.457 4.118 20 30 DIEDRO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000441075215 1045025943 /nfs/dbraw/zinc/02/59/43/1045025943.db2.gz ZKNYICHNBDGXKX-HNNXBMFYSA-N 1 0 306.409 4.076 20 30 DIEDRO N#Cc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)s1 ZINC000374283184 1045042911 /nfs/dbraw/zinc/04/29/11/1045042911.db2.gz LLZZEQVMUDADFI-MRXNPFEDSA-N 1 0 323.421 4.488 20 30 DIEDRO C[N@H+](CCCSCC#N)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412017439 1045045515 /nfs/dbraw/zinc/04/55/15/1045045515.db2.gz ZFIHXPVRTRRPOV-ROUUACIJSA-N 1 0 302.487 4.291 20 30 DIEDRO CC(C)C[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047550114 1045068069 /nfs/dbraw/zinc/06/80/69/1045068069.db2.gz WVBJXRMELPKZRV-UHFFFAOYSA-N 1 0 303.409 4.088 20 30 DIEDRO CC1CC[NH+](CCCNc2cccc(C(F)F)c2C#N)CC1 ZINC000576747524 1045077778 /nfs/dbraw/zinc/07/77/78/1045077778.db2.gz PBEFTDCZPGVFFK-UHFFFAOYSA-N 1 0 307.388 4.030 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c(C(F)(F)F)c1 ZINC000576795626 1045081764 /nfs/dbraw/zinc/08/17/64/1045081764.db2.gz RHXXFMKLCZDRJY-INIZCTEOSA-N 1 0 320.358 4.342 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccco3)c2)c1 ZINC000047687975 1045082807 /nfs/dbraw/zinc/08/28/07/1045082807.db2.gz RPMZFRQOERHJDT-UHFFFAOYSA-N 1 0 318.376 4.020 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000577182468 1045106914 /nfs/dbraw/zinc/10/69/14/1045106914.db2.gz XWCZJWGCHGKXGH-QGZVFWFLSA-N 1 0 309.369 4.097 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1O ZINC000778995756 1045110802 /nfs/dbraw/zinc/11/08/02/1045110802.db2.gz DKKOCUWPCMQSKH-UHFFFAOYSA-N 1 0 312.388 4.061 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(Cl)nc(Cl)c1 ZINC000778996365 1045113599 /nfs/dbraw/zinc/11/35/99/1045113599.db2.gz MMAQXIFQDXXZSQ-UHFFFAOYSA-N 1 0 311.212 4.212 20 30 DIEDRO N#Cc1c[nH]c2ncc(-c3ccc(C[NH+]4CCCCC4)cc3)cc12 ZINC000600770966 1045137429 /nfs/dbraw/zinc/13/74/29/1045137429.db2.gz BAIDNYJRNAGYSB-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000447532835 1045138962 /nfs/dbraw/zinc/13/89/62/1045138962.db2.gz VSDKQSJOUXCUDA-LJQANCHMSA-N 1 0 306.409 4.364 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000447535615 1045141632 /nfs/dbraw/zinc/14/16/32/1045141632.db2.gz HIWYSSPLHDXEKL-QYZOEREBSA-N 1 0 314.473 4.440 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000447574844 1045147387 /nfs/dbraw/zinc/14/73/87/1045147387.db2.gz OXOVYHQHQOGJOM-WMZOPIPTSA-N 1 0 322.456 4.168 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)[C@H]1COc2ccccc21)c1ccc(C#N)cc1 ZINC000447574646 1045147677 /nfs/dbraw/zinc/14/76/77/1045147677.db2.gz OAAQQLXWLNXCRV-ZMYBRWDISA-N 1 0 306.409 4.164 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](COc2ccccc2)c2ccccc2)C1 ZINC000447586754 1045152670 /nfs/dbraw/zinc/15/26/70/1045152670.db2.gz OPTGNJXEKPSQKP-LMNJBCLMSA-N 1 0 320.436 4.479 20 30 DIEDRO CC[C@@H]([NH2+][C@H](COC)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447587497 1045152872 /nfs/dbraw/zinc/15/28/72/1045152872.db2.gz RHTXYNQVVSHLFO-RTBURBONSA-N 1 0 312.388 4.126 20 30 DIEDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc2O1 ZINC000447588370 1045155385 /nfs/dbraw/zinc/15/53/85/1045155385.db2.gz UBVPOISDDWNFCU-INWMFGNUSA-N 1 0 302.393 4.100 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000447591342 1045155463 /nfs/dbraw/zinc/15/54/63/1045155463.db2.gz HQRXVWHZMOUMNU-DLBZAZTESA-N 1 0 318.411 4.302 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000447596277 1045157585 /nfs/dbraw/zinc/15/75/85/1045157585.db2.gz PQFOPCQYVIABQX-CZAAIQMYSA-N 1 0 321.468 4.290 20 30 DIEDRO CC[C@@H]([NH2+]CC1(CCOC)CCCC1)c1ccc(C#N)cc1 ZINC000447581822 1045158563 /nfs/dbraw/zinc/15/85/63/1045158563.db2.gz WKOIKWGNAAWQKP-GOSISDBHSA-N 1 0 300.446 4.196 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001258044267 1045158897 /nfs/dbraw/zinc/15/88/97/1045158897.db2.gz KUNSMSAMGGNMNE-KKUMJFAQSA-N 1 0 309.416 4.371 20 30 DIEDRO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1C ZINC000447742172 1045173004 /nfs/dbraw/zinc/17/30/04/1045173004.db2.gz OWVNNJPYFSVWIP-UHFFFAOYSA-N 1 0 308.425 4.286 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000924673774 1045188585 /nfs/dbraw/zinc/18/85/85/1045188585.db2.gz XEUJSNHMQMGDKZ-MRXNPFEDSA-N 1 0 323.440 4.079 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1csc(C(F)(F)F)c1 ZINC000924694843 1045191718 /nfs/dbraw/zinc/19/17/18/1045191718.db2.gz AOVVRCCHZKGADC-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO CC(C)(C#N)c1ccc(CN[C@@H](CF)c2ccc(F)cc2)cc1 ZINC000601166350 1045195968 /nfs/dbraw/zinc/19/59/68/1045195968.db2.gz IVXSMXWZFSDBNF-SFHVURJKSA-N 1 0 314.379 4.427 20 30 DIEDRO CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC000924786062 1045198168 /nfs/dbraw/zinc/19/81/68/1045198168.db2.gz BSSCXAVGZLPTMT-OAHLLOKOSA-N 1 0 315.461 4.089 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccnc4ccccc43)CC2)C1 ZINC000578023102 1045198862 /nfs/dbraw/zinc/19/88/62/1045198862.db2.gz PCOWJDBKDZQLDU-NVXWUHKLSA-N 1 0 305.425 4.106 20 30 DIEDRO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC1CCC(C#N)CC1 ZINC000601280453 1045210744 /nfs/dbraw/zinc/21/07/44/1045210744.db2.gz OCQRVLYTQNETJW-KLAILNCOSA-N 1 0 309.457 4.409 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601292436 1045212532 /nfs/dbraw/zinc/21/25/32/1045212532.db2.gz WZFPPGXFOKVGOS-SVFBPWRDSA-N 1 0 319.452 4.427 20 30 DIEDRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000601299159 1045212705 /nfs/dbraw/zinc/21/27/05/1045212705.db2.gz JEMUUMBWBLVTNN-YVEFUNNKSA-N 1 0 311.454 4.442 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)c1 ZINC000448160318 1045213803 /nfs/dbraw/zinc/21/38/03/1045213803.db2.gz QOLXTEYIEVMVNA-FQEVSTJZSA-N 1 0 309.384 4.023 20 30 DIEDRO C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc(C#N)cc1F ZINC000601304452 1045214316 /nfs/dbraw/zinc/21/43/16/1045214316.db2.gz OWSWCIYOJKIJPL-RDTXWAMCSA-N 1 0 316.420 4.087 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000779054170 1045217043 /nfs/dbraw/zinc/21/70/43/1045217043.db2.gz UQSOXKWEUCMJAI-ZDUSSCGKSA-N 1 0 317.791 4.342 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000925136430 1045228786 /nfs/dbraw/zinc/22/87/86/1045228786.db2.gz OSTUPTGMXZOYAB-BFYDXBDKSA-N 1 0 319.518 4.049 20 30 DIEDRO Cc1cnc(CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)c1 ZINC000578352998 1045234288 /nfs/dbraw/zinc/23/42/88/1045234288.db2.gz QBHLGONOBMRAKX-TZIWHRDSSA-N 1 0 319.452 4.013 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000779073265 1045248290 /nfs/dbraw/zinc/24/82/90/1045248290.db2.gz NEHMJCOMTALAMT-QGZVFWFLSA-N 1 0 322.493 4.278 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CCC2(F)CCC2)ccc1OC ZINC000578549991 1045253535 /nfs/dbraw/zinc/25/35/35/1045253535.db2.gz KHZNAYYTMKZLFF-UHFFFAOYSA-N 1 0 307.409 4.022 20 30 DIEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1C#N ZINC001168097774 1045254822 /nfs/dbraw/zinc/25/48/22/1045254822.db2.gz ZXPAHAXZOHNUGF-IRXDYDNUSA-N 1 0 300.446 4.132 20 30 DIEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C#N ZINC001168097773 1045255104 /nfs/dbraw/zinc/25/51/04/1045255104.db2.gz ZXPAHAXZOHNUGF-IAGOWNOFSA-N 1 0 300.446 4.132 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000527774352 1045263177 /nfs/dbraw/zinc/26/31/77/1045263177.db2.gz SFNMXSZVNIYWSW-HXUWFJFHSA-N 1 0 308.425 4.277 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000578673675 1045263687 /nfs/dbraw/zinc/26/36/87/1045263687.db2.gz HOZYRXRNQUCBOD-WIBUTAKZSA-N 1 0 324.399 4.268 20 30 DIEDRO COc1cccc(C(C)(C)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000578684568 1045264924 /nfs/dbraw/zinc/26/49/24/1045264924.db2.gz LRSYLEIWKIWOQF-HXUWFJFHSA-N 1 0 320.436 4.122 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000527935881 1045287406 /nfs/dbraw/zinc/28/74/06/1045287406.db2.gz MYHRSEVQXHBZOB-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO CC(C)C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000579465254 1045317023 /nfs/dbraw/zinc/31/70/23/1045317023.db2.gz QEFXQCQDROQQPQ-PBHICJAKSA-N 1 0 303.837 4.460 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187780792 1045331474 /nfs/dbraw/zinc/33/14/74/1045331474.db2.gz PEZKHDQCABPELX-ROUUACIJSA-N 1 0 321.342 4.044 20 30 DIEDRO C=CCN(Cc1cccs1)Cc1ccnn1C1CCCC1 ZINC000449009562 1045334669 /nfs/dbraw/zinc/33/46/69/1045334669.db2.gz VNUIVNUFHLYARH-UHFFFAOYSA-N 1 0 301.459 4.248 20 30 DIEDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075675565 1045339274 /nfs/dbraw/zinc/33/92/74/1045339274.db2.gz FBQASQFNHZJIHX-MRXNPFEDSA-N 1 0 324.428 4.009 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000449080131 1045345044 /nfs/dbraw/zinc/34/50/44/1045345044.db2.gz SVTWKUMSXOALLZ-QGZVFWFLSA-N 1 0 314.473 4.034 20 30 DIEDRO CC[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1cccc(C)c1 ZINC000449089584 1045347430 /nfs/dbraw/zinc/34/74/30/1045347430.db2.gz KOHNCFGRJCTWOM-HFCFLWKCSA-N 1 0 300.446 4.215 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(c3ccc(F)cc3)CCC2)CC1 ZINC000449110530 1045347685 /nfs/dbraw/zinc/34/76/85/1045347685.db2.gz DQNQSIZUSATJIQ-UHFFFAOYSA-N 1 0 300.421 4.309 20 30 DIEDRO Cc1cc(Br)c(C[NH2+]CCCCC#N)cc1Cl ZINC000449133306 1045349701 /nfs/dbraw/zinc/34/97/01/1045349701.db2.gz XXWLBZMWBQEUDG-UHFFFAOYSA-N 1 0 315.642 4.194 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000449188564 1045360526 /nfs/dbraw/zinc/36/05/26/1045360526.db2.gz SJWWOXZJODLIEM-FGZQJIAISA-N 1 0 302.384 4.417 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000449226213 1045365323 /nfs/dbraw/zinc/36/53/23/1045365323.db2.gz WSUVSSDPAIGLBS-UHFFFAOYSA-N 1 0 305.425 4.311 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449254485 1045366340 /nfs/dbraw/zinc/36/63/40/1045366340.db2.gz YDNYRDBEAGRLBI-MJJDPTRDSA-N 1 0 302.466 4.070 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000449234657 1045366607 /nfs/dbraw/zinc/36/66/07/1045366607.db2.gz CLKXFTRFAVJABR-IAFLDTSXSA-N 1 0 316.420 4.108 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)c(C)c1OC ZINC000449329964 1045375467 /nfs/dbraw/zinc/37/54/67/1045375467.db2.gz KFZKGCIDJOIBRJ-TZGCNFNXSA-N 1 0 316.445 4.135 20 30 DIEDRO FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000528584575 1045379750 /nfs/dbraw/zinc/37/97/50/1045379750.db2.gz OEZWZBUJQDNGIX-SJPCQFCGSA-N 1 0 321.798 4.344 20 30 DIEDRO FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000528585067 1045379815 /nfs/dbraw/zinc/37/98/15/1045379815.db2.gz SITQBOYPHYTVBU-SJPCQFCGSA-N 1 0 321.798 4.344 20 30 DIEDRO C[C@@H](CCOCc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449334102 1045380599 /nfs/dbraw/zinc/38/05/99/1045380599.db2.gz WUEYEYVHOUWVPP-IVMQYODDSA-N 1 0 300.446 4.044 20 30 DIEDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc(C#N)cs1 ZINC000449364509 1045382557 /nfs/dbraw/zinc/38/25/57/1045382557.db2.gz RATYFHCEXCHOEE-UMNHJUIQSA-N 1 0 302.365 4.171 20 30 DIEDRO CC1(C)[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H]1OCc1ccccc1 ZINC000449447204 1045395048 /nfs/dbraw/zinc/39/50/48/1045395048.db2.gz WVRMWHJVHKTILT-WNHJNPCNSA-N 1 0 312.457 4.042 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC2(F)F)c(C(F)(F)F)c1 ZINC000449492420 1045400898 /nfs/dbraw/zinc/40/08/98/1045400898.db2.gz JDNCENUNVRGMCM-GFCCVEGCSA-N 1 0 318.289 4.102 20 30 DIEDRO CC(C)CCn1nc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000449488971 1045402406 /nfs/dbraw/zinc/40/24/06/1045402406.db2.gz MUBUXDBIFOXBCY-IRXDYDNUSA-N 1 0 324.472 4.254 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cccc(CC#N)c2)C1 ZINC000449692614 1045427548 /nfs/dbraw/zinc/42/75/48/1045427548.db2.gz BPTPKVMJAWERLG-JXFKEZNVSA-N 1 0 305.425 4.000 20 30 DIEDRO N#Cc1csc(CN2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000449735755 1045432786 /nfs/dbraw/zinc/43/27/86/1045432786.db2.gz UVCJCAWVJHDBOE-MRXNPFEDSA-N 1 0 304.365 4.235 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc2ncccc2c1 ZINC000120006663 1045437091 /nfs/dbraw/zinc/43/70/91/1045437091.db2.gz ZWABYJOZYICRFH-UHFFFAOYSA-N 1 0 313.404 4.295 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(C)=O)c1 ZINC000450261278 1045481619 /nfs/dbraw/zinc/48/16/19/1045481619.db2.gz NAHLPVXXEPTWSE-UHFFFAOYSA-N 1 0 306.409 4.173 20 30 DIEDRO C=CC[N@@H+](Cc1ccn(CC(F)(F)F)n1)CC1CCCCC1 ZINC000450404845 1045502306 /nfs/dbraw/zinc/50/23/06/1045502306.db2.gz NUBKIUFNCUPCGU-UHFFFAOYSA-N 1 0 315.383 4.014 20 30 DIEDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCCCC1(C#N)CCC1 ZINC001119741535 1045525597 /nfs/dbraw/zinc/52/55/97/1045525597.db2.gz YRCUJXIJXMESAA-UHFFFAOYSA-N 1 0 324.472 4.262 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC001119776536 1045525841 /nfs/dbraw/zinc/52/58/41/1045525841.db2.gz KUIASBCCQPHIEF-HKLFFYFNSA-N 1 0 320.864 4.336 20 30 DIEDRO CC(C)(CO)[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1ccccc1 ZINC001119855598 1045527643 /nfs/dbraw/zinc/52/76/43/1045527643.db2.gz RKIPWYSWFGYZFK-SFHVURJKSA-N 1 0 314.473 4.200 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccccc1 ZINC000450678515 1045543682 /nfs/dbraw/zinc/54/36/82/1045543682.db2.gz IDZYDMMTBWZIME-MRXNPFEDSA-N 1 0 323.362 4.243 20 30 DIEDRO CC(C)C[N@H+](Cc1cnc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000750794992 1045555470 /nfs/dbraw/zinc/55/54/70/1045555470.db2.gz MKWCETCMTAFJOT-UHFFFAOYSA-N 1 0 319.861 4.326 20 30 DIEDRO C=CCC1([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CCOCC1 ZINC000628338196 1045571314 /nfs/dbraw/zinc/57/13/14/1045571314.db2.gz COBMRVKWCYUCFV-MRXNPFEDSA-N 1 0 309.812 4.181 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000119855676 1045581009 /nfs/dbraw/zinc/58/10/09/1045581009.db2.gz QVWJJERDWCDPKI-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO CC(C)OC[C@@H](C)[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000800241203 1045590800 /nfs/dbraw/zinc/59/08/00/1045590800.db2.gz JGVNXMMYRDEBEB-CQSZACIVSA-N 1 0 314.454 4.190 20 30 DIEDRO CC(C)OC[C@H](C)[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000800241202 1045590813 /nfs/dbraw/zinc/59/08/13/1045590813.db2.gz JGVNXMMYRDEBEB-AWEZNQCLSA-N 1 0 314.454 4.190 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(-c3cccs3)s2)cc1 ZINC000751502836 1045608822 /nfs/dbraw/zinc/60/88/22/1045608822.db2.gz HZYIZKGACSVTGY-UHFFFAOYSA-N 1 0 311.435 4.033 20 30 DIEDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000451141128 1045628773 /nfs/dbraw/zinc/62/87/73/1045628773.db2.gz CYQHWXCMKOJZCY-ZENOOKHLSA-N 1 0 310.363 4.304 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc(OCC#N)cc1 ZINC000800500465 1045635045 /nfs/dbraw/zinc/63/50/45/1045635045.db2.gz UUWJQSSAVFDXNQ-CYBMUJFWSA-N 1 0 308.372 4.065 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000190963045 1045635196 /nfs/dbraw/zinc/63/51/96/1045635196.db2.gz LUMZLIOSHRZNRK-DYESRHJHSA-N 1 0 320.436 4.067 20 30 DIEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCc3ccc(-c4ccccc4)cc3C2)C1 ZINC000451159389 1045635307 /nfs/dbraw/zinc/63/53/07/1045635307.db2.gz QDIXPPHVEBKRHX-KKSFZXQISA-N 1 0 302.421 4.404 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3ccc(-c4ccccc4)cc3C2)C1 ZINC000451159387 1045636418 /nfs/dbraw/zinc/63/64/18/1045636418.db2.gz QDIXPPHVEBKRHX-IERDGZPVSA-N 1 0 302.421 4.404 20 30 DIEDRO Cc1sc(C(C)(C)[NH2+]CCCC#N)nc1-c1ccccc1F ZINC000451162861 1045638081 /nfs/dbraw/zinc/63/80/81/1045638081.db2.gz ATZVOEYOPLEOOD-UHFFFAOYSA-N 1 0 317.433 4.386 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000752090383 1045658809 /nfs/dbraw/zinc/65/88/09/1045658809.db2.gz VLNBHGYVLVGAKL-FQEVSTJZSA-N 1 0 324.399 4.455 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cnc3ccccc3c2)cc1Cl ZINC000800896100 1045663971 /nfs/dbraw/zinc/66/39/71/1045663971.db2.gz XTCLTKFEPBOXOB-UHFFFAOYSA-N 1 0 307.784 4.050 20 30 DIEDRO N#CCSCCC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451359544 1045668707 /nfs/dbraw/zinc/66/87/07/1045668707.db2.gz WRHDCWMXSPTDSA-HNNXBMFYSA-N 1 0 312.841 4.167 20 30 DIEDRO N#CCSCCC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451359545 1045668805 /nfs/dbraw/zinc/66/88/05/1045668805.db2.gz WRHDCWMXSPTDSA-OAHLLOKOSA-N 1 0 312.841 4.167 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(Cl)ccc1O ZINC000800990538 1045678236 /nfs/dbraw/zinc/67/82/36/1045678236.db2.gz QMYHPFWQPNMYBR-SNVBAGLBSA-N 1 0 321.207 4.421 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(Cl)nc1 ZINC000800990046 1045678574 /nfs/dbraw/zinc/67/85/74/1045678574.db2.gz JDXPIYGDWUJNDB-SNVBAGLBSA-N 1 0 306.196 4.111 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)C1 ZINC000451526655 1045692677 /nfs/dbraw/zinc/69/26/77/1045692677.db2.gz IQXXTHZBESZVGC-RDJZCZTQSA-N 1 0 320.839 4.379 20 30 DIEDRO C=CCC[NH2+][C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000530624596 1045702732 /nfs/dbraw/zinc/70/27/32/1045702732.db2.gz VFKNNFKDYYLDCW-IBGZPJMESA-N 1 0 315.388 4.098 20 30 DIEDRO Cc1cccc(-c2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)c1 ZINC000191463435 1045709239 /nfs/dbraw/zinc/70/92/39/1045709239.db2.gz MBMQTJZKUQJZTG-UHFFFAOYSA-N 1 0 315.420 4.162 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000451677883 1045709315 /nfs/dbraw/zinc/70/93/15/1045709315.db2.gz DAYHZGDQLCNXNP-MAZHCROVSA-N 1 0 313.363 4.176 20 30 DIEDRO N#CCCCC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191464058 1045709833 /nfs/dbraw/zinc/70/98/33/1045709833.db2.gz SZYVYRYXKBWIPB-UHFFFAOYSA-N 1 0 321.262 4.355 20 30 DIEDRO N#Cc1ccc(C[N@H+](C2CC2)C2CCCC2)c(OC(F)F)c1 ZINC000530756218 1045723245 /nfs/dbraw/zinc/72/32/45/1045723245.db2.gz VEGDJOZHXRHHLX-UHFFFAOYSA-N 1 0 306.356 4.067 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451853538 1045733353 /nfs/dbraw/zinc/73/33/53/1045733353.db2.gz LRSVTMCBQWSQMC-LJQANCHMSA-N 1 0 322.408 4.147 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CCCC(C)(C)C#N)C2)c1 ZINC000452021380 1045759847 /nfs/dbraw/zinc/75/98/47/1045759847.db2.gz SVMCOMLLJMSMJS-QAQDUYKDSA-N 1 0 300.446 4.203 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC001461528477 1045768680 /nfs/dbraw/zinc/76/86/80/1045768680.db2.gz AXNLBUYREFGQGU-UHFFFAOYSA-N 1 0 319.342 4.459 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](C)Cc2ccccc2)c1 ZINC000753965179 1045827346 /nfs/dbraw/zinc/82/73/46/1045827346.db2.gz DECCNEULUZAAOF-YLJYHZDGSA-N 1 0 322.452 4.336 20 30 DIEDRO C[C@@H](C#N)C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CC1 ZINC000753988509 1045827554 /nfs/dbraw/zinc/82/75/54/1045827554.db2.gz QXDMWSURKKJUCA-ZDUSSCGKSA-N 1 0 324.424 4.141 20 30 DIEDRO C[C@H](C#N)OCC[N@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000801916404 1045835457 /nfs/dbraw/zinc/83/54/57/1045835457.db2.gz XJMSLIONZXVETH-HZPDHXFCSA-N 1 0 314.454 4.240 20 30 DIEDRO C[C@H](C#N)OCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000801913972 1045835842 /nfs/dbraw/zinc/83/58/42/1045835842.db2.gz PZWKXSMPSMJSEF-MSOLQXFVSA-N 1 0 308.425 4.178 20 30 DIEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000801912978 1045837376 /nfs/dbraw/zinc/83/73/76/1045837376.db2.gz KNFBESAQRUSBMO-QAPCUYQASA-N 1 0 300.446 4.050 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2CCC(OC)CC2)cc1Cl ZINC000531409600 1045839113 /nfs/dbraw/zinc/83/91/13/1045839113.db2.gz HJFURVMNUUTJKE-UHFFFAOYSA-N 1 0 323.864 4.200 20 30 DIEDRO C[C@H](C#N)OCC[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000801921637 1045840085 /nfs/dbraw/zinc/84/00/85/1045840085.db2.gz IEKSFTFRTSOZBQ-PBHICJAKSA-N 1 0 306.837 4.186 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCO[C@H](C)C#N)c1ccc(C(C)(C)C)cc1 ZINC000801928951 1045848968 /nfs/dbraw/zinc/84/89/68/1045848968.db2.gz CJICBANWGRXTBQ-CRAIPNDOSA-N 1 0 302.462 4.199 20 30 DIEDRO CCC[C@H]([NH2+]CCO[C@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC000801937038 1045853120 /nfs/dbraw/zinc/85/31/20/1045853120.db2.gz CCRDLIKQIOXVQN-DOMZBBRYSA-N 1 0 314.351 4.065 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801937605 1045853655 /nfs/dbraw/zinc/85/36/55/1045853655.db2.gz QWILRHRQOQMHOR-GUYCJALGSA-N 1 0 306.837 4.090 20 30 DIEDRO CCC[C@@H]([NH2+]CCO[C@H](C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000801937176 1045853778 /nfs/dbraw/zinc/85/37/78/1045853778.db2.gz GFWQXLRRNVAMIG-IAQYHMDHSA-N 1 0 315.244 4.353 20 30 DIEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801953928 1045858920 /nfs/dbraw/zinc/85/89/20/1045858920.db2.gz YYZKZQNYSWNPDB-KBXCAEBGSA-N 1 0 320.864 4.432 20 30 DIEDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237554629 1045866686 /nfs/dbraw/zinc/86/66/86/1045866686.db2.gz MDFSBQDNVKMDFS-WMZOPIPTSA-N 1 0 300.446 4.285 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@]2(C)CCCS2)ccc1OC ZINC000531563600 1045871936 /nfs/dbraw/zinc/87/19/36/1045871936.db2.gz DVRNZDVICBQJMU-SFHVURJKSA-N 1 0 321.486 4.025 20 30 DIEDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237555281 1045872524 /nfs/dbraw/zinc/87/25/24/1045872524.db2.gz FOSQYVKPIAWJMI-GOSISDBHSA-N 1 0 322.452 4.398 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000631681355 1045902921 /nfs/dbraw/zinc/90/29/21/1045902921.db2.gz YTMMZQIFKQVGSS-AWEZNQCLSA-N 1 0 318.461 4.297 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000631684315 1045904563 /nfs/dbraw/zinc/90/45/63/1045904563.db2.gz QKPFKJIQKIMDKU-HNNXBMFYSA-N 1 0 302.462 4.031 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC23CCCCC3)c(Br)c1 ZINC001137633901 1045913016 /nfs/dbraw/zinc/91/30/16/1045913016.db2.gz CUEFWAOMCJJBGS-UHFFFAOYSA-N 1 0 319.246 4.229 20 30 DIEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001137637928 1045913065 /nfs/dbraw/zinc/91/30/65/1045913065.db2.gz FNXCAMSWUOHRAM-CQSZACIVSA-N 1 0 307.235 4.085 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1Br)C1CCCCC1 ZINC001137632676 1045914462 /nfs/dbraw/zinc/91/44/62/1045914462.db2.gz IHRSSEPVZDLHTE-UHFFFAOYSA-N 1 0 321.262 4.475 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H]2c2ccccc2)c1O ZINC000754725952 1045921776 /nfs/dbraw/zinc/92/17/76/1045921776.db2.gz ISNJVJWUUWEDDY-IBGZPJMESA-N 1 0 309.409 4.076 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000754798344 1045928140 /nfs/dbraw/zinc/92/81/40/1045928140.db2.gz MNISZRWZUUSMJA-VXGBXAGGSA-N 1 0 305.809 4.395 20 30 DIEDRO Cc1cccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1F ZINC001137679932 1045931909 /nfs/dbraw/zinc/93/19/09/1045931909.db2.gz DFVPJOSLCJZACA-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000453191310 1045973632 /nfs/dbraw/zinc/97/36/32/1045973632.db2.gz FFSGOWOTFVXOCS-LSHSLQSTSA-N 1 0 320.864 4.478 20 30 DIEDRO Cn1cc(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccc(Cl)cc21 ZINC000193322523 1045990021 /nfs/dbraw/zinc/99/00/21/1045990021.db2.gz IRAURDGWAXHSBF-CJNGLKHVSA-N 1 0 315.848 4.046 20 30 DIEDRO Cn1cc(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccc(Cl)cc21 ZINC000193322489 1045991523 /nfs/dbraw/zinc/99/15/23/1045991523.db2.gz IRAURDGWAXHSBF-XJKSGUPXSA-N 1 0 315.848 4.046 20 30 DIEDRO Fc1cccc(Cl)c1CCC=[NH+]n1cnc2ccccc21 ZINC000755612401 1046002196 /nfs/dbraw/zinc/00/21/96/1046002196.db2.gz LQUIXSCULOCWRA-UHFFFAOYSA-N 1 0 301.752 4.296 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(C3CC3)ccc1F)CC2 ZINC000453249099 1046003465 /nfs/dbraw/zinc/00/34/65/1046003465.db2.gz CRFKHHMHCIXAAJ-HXUWFJFHSA-N 1 0 306.384 4.352 20 30 DIEDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137899666 1046004276 /nfs/dbraw/zinc/00/42/76/1046004276.db2.gz BZEPNRIZVODWRX-CRAIPNDOSA-N 1 0 323.415 4.258 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000829789578 1046007582 /nfs/dbraw/zinc/00/75/82/1046007582.db2.gz XYSMAORTHBOJFC-GFCCVEGCSA-N 1 0 322.330 4.082 20 30 DIEDRO CC(C)COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000453290716 1046016490 /nfs/dbraw/zinc/01/64/90/1046016490.db2.gz LHLHHAGVINBXJL-RYRKJORJSA-N 1 0 300.446 4.454 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000453291705 1046017873 /nfs/dbraw/zinc/01/78/73/1046017873.db2.gz NGYARAAFPZXLIZ-ZAAXVRCTSA-N 1 0 324.468 4.451 20 30 DIEDRO Cc1ccc2nc(Cl)c(C[NH+]3CCC(S)CC3)cc2c1 ZINC001137922926 1046018019 /nfs/dbraw/zinc/01/80/19/1046018019.db2.gz RXMOBOAMBREJPC-UHFFFAOYSA-N 1 0 306.862 4.091 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000453296983 1046020518 /nfs/dbraw/zinc/02/05/18/1046020518.db2.gz VGRROAKBXQZCKP-FNHZYXHNSA-N 1 0 310.441 4.061 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@@H](C)C(C)(C)C)ccc1OC ZINC000802644157 1046022689 /nfs/dbraw/zinc/02/26/89/1046022689.db2.gz TZZYLCDILCJVMY-ZBFHGGJFSA-N 1 0 318.461 4.148 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000453304997 1046028065 /nfs/dbraw/zinc/02/80/65/1046028065.db2.gz GMAYZTYYVLMXSO-LBPRGKRZSA-N 1 0 301.459 4.376 20 30 DIEDRO CCCC[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1O ZINC000802657846 1046029022 /nfs/dbraw/zinc/02/90/22/1046029022.db2.gz WFOVFSAXOGBCDQ-UHFFFAOYSA-N 1 0 300.427 4.128 20 30 DIEDRO CCCC[N@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccccc1O ZINC000802657739 1046030272 /nfs/dbraw/zinc/03/02/72/1046030272.db2.gz PPGMEQUZTIVFQJ-UHFFFAOYSA-N 1 0 324.424 4.075 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453312530 1046031159 /nfs/dbraw/zinc/03/11/59/1046031159.db2.gz HGTUWBDBPDEUSX-PXNSSMCTSA-N 1 0 324.468 4.265 20 30 DIEDRO FC(F)(F)Sc1ccc(C[NH+]2CCC(S)CC2)cc1 ZINC001137955132 1046031518 /nfs/dbraw/zinc/03/15/18/1046031518.db2.gz IAPHDZBFJGNIRR-UHFFFAOYSA-N 1 0 307.406 4.193 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453340054 1046045469 /nfs/dbraw/zinc/04/54/69/1046045469.db2.gz BPYKXLKVWOOANK-KUHUBIRLSA-N 1 0 323.415 4.319 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000756081827 1046049345 /nfs/dbraw/zinc/04/93/45/1046049345.db2.gz YICPDOVEHTXTSS-UONOGXRCSA-N 1 0 313.363 4.470 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1cccc(C#N)c1 ZINC000902731668 1046053491 /nfs/dbraw/zinc/05/34/91/1046053491.db2.gz NTWPXGQBGIVVCV-VLIAUNLRSA-N 1 0 321.424 4.319 20 30 DIEDRO CC[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000453354592 1046054123 /nfs/dbraw/zinc/05/41/23/1046054123.db2.gz JZRGAHQPKJQVQW-ROUUACIJSA-N 1 0 300.471 4.228 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001256188906 1046054336 /nfs/dbraw/zinc/05/43/36/1046054336.db2.gz XCBJUZUWBFFIQS-ZIAGYGMSSA-N 1 0 321.262 4.006 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000902742489 1046057005 /nfs/dbraw/zinc/05/70/05/1046057005.db2.gz QYILRBSHDZONOM-GHTZIAJQSA-N 1 0 319.452 4.125 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)s1 ZINC000902751559 1046057617 /nfs/dbraw/zinc/05/76/17/1046057617.db2.gz VTUXKSKIRXSWKQ-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000453358076 1046058230 /nfs/dbraw/zinc/05/82/30/1046058230.db2.gz JQHJXIQODAJZGK-JVPBZIDWSA-N 1 0 306.409 4.164 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902750149 1046059128 /nfs/dbraw/zinc/05/91/28/1046059128.db2.gz AWQSBYMPQUSVFC-LSDHHAIUSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(C)ccc1OC ZINC000453382164 1046060700 /nfs/dbraw/zinc/06/07/00/1046060700.db2.gz LSEUQTOPEJVGRP-SFHVURJKSA-N 1 0 312.388 4.255 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000453365354 1046067156 /nfs/dbraw/zinc/06/71/56/1046067156.db2.gz RQEDMNCJPWYOCG-CZUORRHYSA-N 1 0 316.470 4.096 20 30 DIEDRO CC(C)(O)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000830404514 1046067266 /nfs/dbraw/zinc/06/72/66/1046067266.db2.gz GNKYINABNXFOMW-FQEVSTJZSA-N 1 0 322.452 4.439 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(C#N)c1 ZINC000902779019 1046067931 /nfs/dbraw/zinc/06/79/31/1046067931.db2.gz KBXYCJZLOSGGRK-GOSISDBHSA-N 1 0 311.404 4.004 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000453365356 1046068524 /nfs/dbraw/zinc/06/85/24/1046068524.db2.gz RQEDMNCJPWYOCG-XJKSGUPXSA-N 1 0 316.470 4.096 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000453370555 1046070531 /nfs/dbraw/zinc/07/05/31/1046070531.db2.gz UGGKYWUWBKQEPZ-JKSUJKDBSA-N 1 0 314.473 4.141 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cccc(OC(C)=O)c1 ZINC001138042920 1046071560 /nfs/dbraw/zinc/07/15/60/1046071560.db2.gz HCUSBQMRQKRCAX-UHFFFAOYSA-N 1 0 309.409 4.190 20 30 DIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H](C)c2cc(C#N)ccn2)c1C ZINC000902794263 1046072828 /nfs/dbraw/zinc/07/28/28/1046072828.db2.gz UQGKZOWPTIFQLE-HNNXBMFYSA-N 1 0 318.424 4.211 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(C(=O)OC)cc1C)c1ccncc1 ZINC000902807073 1046073342 /nfs/dbraw/zinc/07/33/42/1046073342.db2.gz VKGDDTFNTSAEBD-KXBFYZLASA-N 1 0 324.424 4.145 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CCCC1 ZINC000453376273 1046074292 /nfs/dbraw/zinc/07/42/92/1046074292.db2.gz PQMLFFIJVPOLMZ-FQEVSTJZSA-N 1 0 321.468 4.487 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1cccc(C#N)c1 ZINC000902819313 1046077651 /nfs/dbraw/zinc/07/76/51/1046077651.db2.gz GHUUJRGTDPXADM-RBUKOAKNSA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000193872210 1046077873 /nfs/dbraw/zinc/07/78/73/1046077873.db2.gz HLUKIBIFTLTJRQ-VFNWGFHPSA-N 1 0 316.404 4.096 20 30 DIEDRO CC[C@@H]([NH2+]CCc1nc2c(cccc2C)o1)c1cccc(C#N)c1 ZINC000902826171 1046080993 /nfs/dbraw/zinc/08/09/93/1046080993.db2.gz DAUXRNRXFUYASE-QGZVFWFLSA-N 1 0 319.408 4.291 20 30 DIEDRO C=CC[N@@H+](C)Cc1cnccc1-c1cccc(Br)c1 ZINC001138074752 1046082327 /nfs/dbraw/zinc/08/23/27/1046082327.db2.gz NWOHQEXDPIGAQM-UHFFFAOYSA-N 1 0 317.230 4.129 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCc1c(C)noc1C)[C@@]1(C)CCCCO1 ZINC000902839277 1046082921 /nfs/dbraw/zinc/08/29/21/1046082921.db2.gz PYARGSNZQQKNCV-RBUKOAKNSA-N 1 0 320.477 4.108 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000194128841 1046093078 /nfs/dbraw/zinc/09/30/78/1046093078.db2.gz ZOPCLCLGPIEJBH-MRXNPFEDSA-N 1 0 308.425 4.217 20 30 DIEDRO C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)c1cc(C#N)ccn1 ZINC000902874421 1046097213 /nfs/dbraw/zinc/09/72/13/1046097213.db2.gz FQBKFHULBRKAIC-MNOVXSKESA-N 1 0 303.768 4.158 20 30 DIEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000453607068 1046098411 /nfs/dbraw/zinc/09/84/11/1046098411.db2.gz XFTJJFHBZIHRSH-INIZCTEOSA-N 1 0 324.472 4.378 20 30 DIEDRO CCOCCC1(C[NH2+][C@@H](CC)c2cccc(C#N)c2)CCC1 ZINC000902882010 1046099577 /nfs/dbraw/zinc/09/95/77/1046099577.db2.gz RSZAQAUJUMANNY-SFHVURJKSA-N 1 0 300.446 4.196 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(OC(C)C)CC1)c1cccc(C#N)c1 ZINC000902886733 1046100055 /nfs/dbraw/zinc/10/00/55/1046100055.db2.gz UCGMVQQUNKBXTD-ACBHZAAOSA-N 1 0 300.446 4.335 20 30 DIEDRO CCOCCC1(C[NH2+][C@H](CC)c2cccc(C#N)c2)CCC1 ZINC000902882009 1046100521 /nfs/dbraw/zinc/10/05/21/1046100521.db2.gz RSZAQAUJUMANNY-GOSISDBHSA-N 1 0 300.446 4.196 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000902891224 1046101755 /nfs/dbraw/zinc/10/17/55/1046101755.db2.gz QSNQFFQMBBRTID-FGTMMUONSA-N 1 0 300.446 4.193 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(OCC#N)cc1 ZINC000194697808 1046106459 /nfs/dbraw/zinc/10/64/59/1046106459.db2.gz RHOKZHZFWPVNSZ-LBPRGKRZSA-N 1 0 318.779 4.232 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000195147836 1046115786 /nfs/dbraw/zinc/11/57/86/1046115786.db2.gz JDFGBSHKTGWYFB-INIZCTEOSA-N 1 0 316.404 4.098 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC(C)C)C1)c1cccc(C#N)c1 ZINC000902926762 1046115885 /nfs/dbraw/zinc/11/58/85/1046115885.db2.gz NTMMIKBCRKPFIN-QYZOEREBSA-N 1 0 300.446 4.193 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC(C)C)C1)c1cccc(C#N)c1 ZINC000902926751 1046116217 /nfs/dbraw/zinc/11/62/17/1046116217.db2.gz NTMMIKBCRKPFIN-OTWHNJEPSA-N 1 0 300.446 4.193 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cccc(C#N)c1 ZINC000902946221 1046123702 /nfs/dbraw/zinc/12/37/02/1046123702.db2.gz YOCOYIQBZWAVKK-SFHVURJKSA-N 1 0 323.440 4.371 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C)c1nccs1)[C@@]1(C)CCCCO1 ZINC000902951295 1046124869 /nfs/dbraw/zinc/12/48/69/1046124869.db2.gz MZOWNGBZCXCXMN-YQQAZPJKSA-N 1 0 308.491 4.130 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1cccc(C#N)c1 ZINC000902957405 1046126844 /nfs/dbraw/zinc/12/68/44/1046126844.db2.gz RRZAYHPTMMEJKE-MOPGFXCFSA-N 1 0 322.408 4.131 20 30 DIEDRO CCSc1cc(C[NH2+][C@H](CC)c2cccc(C#N)c2)ccn1 ZINC000902964875 1046130516 /nfs/dbraw/zinc/13/05/16/1046130516.db2.gz ZVRFGBDJRKXHJM-QGZVFWFLSA-N 1 0 311.454 4.306 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(C#N)c1 ZINC000902968985 1046131958 /nfs/dbraw/zinc/13/19/58/1046131958.db2.gz ADQKITZVJCSLSX-KRWDZBQOSA-N 1 0 309.369 4.016 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(C#N)c1 ZINC000902968986 1046132235 /nfs/dbraw/zinc/13/22/35/1046132235.db2.gz ADQKITZVJCSLSX-QGZVFWFLSA-N 1 0 309.369 4.016 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902970538 1046132714 /nfs/dbraw/zinc/13/27/14/1046132714.db2.gz NECXPRQJGUBTBO-IPELMVKDSA-N 1 0 305.425 4.330 20 30 DIEDRO N#Cc1ccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c(F)c1 ZINC000195725084 1046132873 /nfs/dbraw/zinc/13/28/73/1046132873.db2.gz GJNIJROJHDDJMG-FQEVSTJZSA-N 1 0 306.384 4.349 20 30 DIEDRO N#Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c(F)c1 ZINC000195725083 1046133883 /nfs/dbraw/zinc/13/38/83/1046133883.db2.gz GJNIJROJHDDJMG-HXUWFJFHSA-N 1 0 306.384 4.349 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000902978327 1046135572 /nfs/dbraw/zinc/13/55/72/1046135572.db2.gz CWHCAWZHBYKLQK-SUNKGSAMSA-N 1 0 319.392 4.399 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cc(C#N)ccn1 ZINC000902979063 1046135780 /nfs/dbraw/zinc/13/57/80/1046135780.db2.gz OGANTAJQWDQCMB-QANKJYHBSA-N 1 0 309.388 4.079 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cc(C#N)ccn1 ZINC000902976889 1046135849 /nfs/dbraw/zinc/13/58/49/1046135849.db2.gz WIPBFMLWVPMWRX-QANKJYHBSA-N 1 0 309.388 4.079 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1cc2cccc(F)c2o1 ZINC000475694616 1046136076 /nfs/dbraw/zinc/13/60/76/1046136076.db2.gz NMHLDJQDTLJUOJ-CYBMUJFWSA-N 1 0 324.355 4.173 20 30 DIEDRO C[C@H]([NH2+]CCCCc1ccc(Cl)s1)c1cc(C#N)ccn1 ZINC000902983072 1046138054 /nfs/dbraw/zinc/13/80/54/1046138054.db2.gz SJABNYRMYNDVML-LBPRGKRZSA-N 1 0 319.861 4.342 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc(C#N)ccn1 ZINC000903000574 1046139967 /nfs/dbraw/zinc/13/99/67/1046139967.db2.gz LFSKPZGTHWPEGZ-YJBOKZPZSA-N 1 0 304.397 4.039 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnc(CCC)o1)[C@@]1(C)CCCCO1 ZINC000903012551 1046140973 /nfs/dbraw/zinc/14/09/73/1046140973.db2.gz QLIDZBJHRUSNHS-FUHWJXTLSA-N 1 0 306.450 4.011 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CCc2cccnc2)c2ccccc2)C1 ZINC000903026295 1046145114 /nfs/dbraw/zinc/14/51/14/1046145114.db2.gz NJGPNLMVVLJBKB-YZGWKJHDSA-N 1 0 305.425 4.037 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2c1c(F)ccc2O ZINC000756857453 1046145999 /nfs/dbraw/zinc/14/59/99/1046145999.db2.gz OMVBESSRJQMVML-BLLLJJGKSA-N 1 0 322.383 4.230 20 30 DIEDRO CC(C)(C)c1[nH]c2ccccc2c1C[NH+]1CCC(S)CC1 ZINC001138312819 1046146469 /nfs/dbraw/zinc/14/64/69/1046146469.db2.gz BZQDMSOFSHJSOE-UHFFFAOYSA-N 1 0 302.487 4.360 20 30 DIEDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](O)C(C)C)c1cccc(C#N)c1 ZINC000903054653 1046148719 /nfs/dbraw/zinc/14/87/19/1046148719.db2.gz NVEAYZCRRIZIKG-PWRODBHTSA-N 1 0 322.452 4.357 20 30 DIEDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C)c1cccc(C#N)c1 ZINC000903054650 1046148758 /nfs/dbraw/zinc/14/87/58/1046148758.db2.gz NVEAYZCRRIZIKG-ACRUOGEOSA-N 1 0 322.452 4.357 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(COC)cs1)c1cccc(C#N)c1 ZINC000903051788 1046149144 /nfs/dbraw/zinc/14/91/44/1046149144.db2.gz XGLBXHXXIAQFKO-KRWDZBQOSA-N 1 0 300.427 4.007 20 30 DIEDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C)c1cccc(C#N)c1 ZINC000903054652 1046149207 /nfs/dbraw/zinc/14/92/07/1046149207.db2.gz NVEAYZCRRIZIKG-PCCBWWKXSA-N 1 0 322.452 4.357 20 30 DIEDRO CC[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000903059868 1046150128 /nfs/dbraw/zinc/15/01/28/1046150128.db2.gz WHYUCGAGISGVBD-INIZCTEOSA-N 1 0 319.330 4.213 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1c[nH]c2ccc(Br)cc12 ZINC001138321847 1046151883 /nfs/dbraw/zinc/15/18/83/1046151883.db2.gz LQSTXPZZPJXVHV-UHFFFAOYSA-N 1 0 307.235 4.328 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)c(O)c(C(C)(C)C)c1 ZINC000779879839 1046152829 /nfs/dbraw/zinc/15/28/29/1046152829.db2.gz ZNWNHISDLJHULL-UHFFFAOYSA-N 1 0 300.446 4.124 20 30 DIEDRO CCc1cc(C[NH+]2CCC(C)(C#N)CC2)c(O)c(C(C)(C)C)c1 ZINC000779878293 1046153161 /nfs/dbraw/zinc/15/31/61/1046153161.db2.gz FMPBQKBLLVEOJW-UHFFFAOYSA-N 1 0 314.473 4.378 20 30 DIEDRO CC[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cccc(C#N)c1 ZINC000903076921 1046157484 /nfs/dbraw/zinc/15/74/84/1046157484.db2.gz CZLGCTDZAYJYLB-OALUTQOASA-N 1 0 312.457 4.338 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccccc1 ZINC000756995570 1046157518 /nfs/dbraw/zinc/15/75/18/1046157518.db2.gz JEUOMKYDOHWKSF-KRWDZBQOSA-N 1 0 319.326 4.439 20 30 DIEDRO CC(=O)OCc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000903078516 1046157716 /nfs/dbraw/zinc/15/77/16/1046157716.db2.gz ICFXXWWFVXBLII-HUUCEWRRSA-N 1 0 322.408 4.033 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccccc1 ZINC000756997169 1046157874 /nfs/dbraw/zinc/15/78/74/1046157874.db2.gz VMYRWSDYLJXPAB-QGZVFWFLSA-N 1 0 319.433 4.059 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000756997043 1046158154 /nfs/dbraw/zinc/15/81/54/1046158154.db2.gz ULSWKGHWCSUNNB-GOSISDBHSA-N 1 0 315.363 4.185 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000756997186 1046158432 /nfs/dbraw/zinc/15/84/32/1046158432.db2.gz VVSBJECCJOBRSG-QGZVFWFLSA-N 1 0 319.326 4.439 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000903079184 1046158637 /nfs/dbraw/zinc/15/86/37/1046158637.db2.gz FUMFEYYDIAMZLZ-BZUAXINKSA-N 1 0 308.347 4.496 20 30 DIEDRO C=CCC[N@@H+](Cc1nc2ccccc2n1C)Cc1ccccc1 ZINC001138378448 1046158966 /nfs/dbraw/zinc/15/89/66/1046158966.db2.gz CYVMGOFULIJJCV-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO CC[C@@H]([NH2+]CCSCCC(F)(F)F)c1cccc(C#N)c1 ZINC000903080338 1046159459 /nfs/dbraw/zinc/15/94/59/1046159459.db2.gz JNZOUKPKZYWOPG-CQSZACIVSA-N 1 0 316.392 4.285 20 30 DIEDRO COc1ccc(F)cc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001138373629 1046159653 /nfs/dbraw/zinc/15/96/53/1046159653.db2.gz KINPDRPRALXBTA-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000756998656 1046159731 /nfs/dbraw/zinc/15/97/31/1046159731.db2.gz YDVMPRQTPUWFBH-QGZVFWFLSA-N 1 0 301.336 4.142 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OCC)c(OCC)c1)c1ccccc1 ZINC000756998406 1046159813 /nfs/dbraw/zinc/15/98/13/1046159813.db2.gz UNIGVHHKKOMKDY-LJQANCHMSA-N 1 0 323.436 4.338 20 30 DIEDRO C=CC[N@@H+](Cc1ncccc1NC(=O)OC(C)(C)C)C(C)(C)C ZINC001138407937 1046167992 /nfs/dbraw/zinc/16/79/92/1046167992.db2.gz MHGAQORKZZPLJS-UHFFFAOYSA-N 1 0 319.449 4.215 20 30 DIEDRO C=CCC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1cccc(Cl)c1 ZINC000903126664 1046169768 /nfs/dbraw/zinc/16/97/68/1046169768.db2.gz UEBXGQCYGDPIKG-PSGMQZRDSA-N 1 0 313.894 4.094 20 30 DIEDRO C=CCC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)c1cccc(Cl)c1 ZINC000903126663 1046170333 /nfs/dbraw/zinc/17/03/33/1046170333.db2.gz UEBXGQCYGDPIKG-JOTOCRJQSA-N 1 0 313.894 4.094 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC1(OC)CCOCC1)c1cccc(Cl)c1 ZINC000903126755 1046170455 /nfs/dbraw/zinc/17/04/55/1046170455.db2.gz VFPSTTHDBKMOQR-QGZVFWFLSA-N 1 0 323.864 4.133 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)CC[S@@](C)=O)c1cccc(Cl)c1 ZINC000903125331 1046170463 /nfs/dbraw/zinc/17/04/63/1046170463.db2.gz MSOJPIDOTGTAPE-JOTOCRJQSA-N 1 0 313.894 4.094 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ncccc1NC(=O)OC(C)(C)C ZINC001138408427 1046170560 /nfs/dbraw/zinc/17/05/60/1046170560.db2.gz JBQCILNHPKIEQW-UHFFFAOYSA-N 1 0 319.449 4.217 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1ccccc1 ZINC000903132449 1046171733 /nfs/dbraw/zinc/17/17/33/1046171733.db2.gz ZCPFEYIHDREQQP-OXJNMPFZSA-N 1 0 307.441 4.098 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)c1ccccc1 ZINC000903132451 1046171838 /nfs/dbraw/zinc/17/18/38/1046171838.db2.gz ZCPFEYIHDREQQP-OXQOHEQNSA-N 1 0 307.441 4.098 20 30 DIEDRO C[C@H](NCc1ccc(F)cc1C#N)c1cc2cccc(F)c2o1 ZINC000475713972 1046176047 /nfs/dbraw/zinc/17/60/47/1046176047.db2.gz LFCZJNYBUXTDNX-NSHDSACASA-N 1 0 312.319 4.433 20 30 DIEDRO CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccc(C#N)cc1 ZINC000903159659 1046179931 /nfs/dbraw/zinc/17/99/31/1046179931.db2.gz KNBVZHQQJGZIFV-NXCDMZCRSA-N 1 0 300.471 4.273 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](c1ccccc1F)C1CCOCC1 ZINC000903170562 1046181780 /nfs/dbraw/zinc/18/17/80/1046181780.db2.gz IHKFXMJWBAZLPO-SFHVURJKSA-N 1 0 318.436 4.213 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1C ZINC001138439507 1046183027 /nfs/dbraw/zinc/18/30/27/1046183027.db2.gz PQERZXWUKGIFTN-UHFFFAOYSA-N 1 0 311.425 4.200 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(C)nn1C)c1cccc(Cl)c1 ZINC000903164853 1046183068 /nfs/dbraw/zinc/18/30/68/1046183068.db2.gz IZVXAXWYNJHLAL-KRWDZBQOSA-N 1 0 303.837 4.179 20 30 DIEDRO O=C1c2ccc(F)cc2CC/C1=C\c1cc(-n2ccnc2)cs1 ZINC000783710343 1046190299 /nfs/dbraw/zinc/19/02/99/1046190299.db2.gz GDWDSBWACUANES-MDWZMJQESA-N 1 0 324.380 4.285 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCO2)c1ccc(C#N)cc1 ZINC000903238532 1046203952 /nfs/dbraw/zinc/20/39/52/1046203952.db2.gz ONMGHELJQSUMSF-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)C1CCOCC1)c1cccc(C#N)c1 ZINC000903244011 1046205146 /nfs/dbraw/zinc/20/51/46/1046205146.db2.gz MKQABOSYAAXOFU-GOSISDBHSA-N 1 0 300.446 4.052 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000757705937 1046205604 /nfs/dbraw/zinc/20/56/04/1046205604.db2.gz MQTFSTGKDSDBOJ-INIZCTEOSA-N 1 0 310.422 4.156 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CCO2 ZINC000903238814 1046205762 /nfs/dbraw/zinc/20/57/62/1046205762.db2.gz YECXOJXIWRZPQW-OLZOCXBDSA-N 1 0 310.372 4.044 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001168158961 1046211090 /nfs/dbraw/zinc/21/10/90/1046211090.db2.gz OORNWHZEDYKNGP-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)cc1C#N ZINC000087822512 1046212028 /nfs/dbraw/zinc/21/20/28/1046212028.db2.gz MPYKYZABAQVZAW-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO CC1([NH+]2CCCC2)CCC(Nc2ccc(CCC#N)cc2)CC1 ZINC000903294741 1046226511 /nfs/dbraw/zinc/22/65/11/1046226511.db2.gz XRSARNURLPZYGX-UHFFFAOYSA-N 1 0 311.473 4.352 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC23CCCC3)ccc1OC ZINC000428540028 1046236856 /nfs/dbraw/zinc/23/68/56/1046236856.db2.gz NLWGJTDKDMQWRU-GOSISDBHSA-N 1 0 301.430 4.072 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@H](C)Cc2ccc(Cl)cc2)cc1C ZINC001168169066 1046236972 /nfs/dbraw/zinc/23/69/72/1046236972.db2.gz XAEQEAXVYPHGNU-CQSZACIVSA-N 1 0 300.833 4.293 20 30 DIEDRO C=CCc1cccc(C[N@H+](C)Cc2cccc(Cl)c2)c1O ZINC001138629023 1046246779 /nfs/dbraw/zinc/24/67/79/1046246779.db2.gz LKEBNQGWXOYJDJ-UHFFFAOYSA-N 1 0 301.817 4.406 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3C)C2)c1O ZINC001138628404 1046247245 /nfs/dbraw/zinc/24/72/45/1046247245.db2.gz UHDOZFFWQSWZAV-IBGZPJMESA-N 1 0 323.436 4.082 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1O ZINC001138627612 1046248091 /nfs/dbraw/zinc/24/80/91/1046248091.db2.gz BYMLSLUDXVXBFA-KRWDZBQOSA-N 1 0 311.400 4.249 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903336046 1046248536 /nfs/dbraw/zinc/24/85/36/1046248536.db2.gz VGSJVPFLDHGPIL-QUCCMNQESA-N 1 0 303.409 4.072 20 30 DIEDRO C=CCCn1cc(CN(CCCC)[C@@H](C)c2ccc(C)o2)nn1 ZINC000653522503 1046256503 /nfs/dbraw/zinc/25/65/03/1046256503.db2.gz KYEYKEULUOPPFJ-INIZCTEOSA-N 1 0 316.449 4.119 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001138661819 1046259193 /nfs/dbraw/zinc/25/91/93/1046259193.db2.gz HEZDDYXCCZDCRC-IYBDPMFKSA-N 1 0 307.384 4.119 20 30 DIEDRO C=C(C)COc1ccccc1C[NH+]1CCC(OC(C)C)CC1 ZINC001138664110 1046260569 /nfs/dbraw/zinc/26/05/69/1046260569.db2.gz IYRYSMQXYACJFJ-UHFFFAOYSA-N 1 0 303.446 4.031 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+](CCCCCO)C(C)C ZINC001138666125 1046262004 /nfs/dbraw/zinc/26/20/04/1046262004.db2.gz JKDVBSXQHKYGII-UHFFFAOYSA-N 1 0 305.462 4.015 20 30 DIEDRO Fc1ccc(-c2ccc(C[NH+]3CCC(S)CC3)cc2)cc1 ZINC001138683069 1046266622 /nfs/dbraw/zinc/26/66/22/1046266622.db2.gz LWABNKWVGDUUOK-UHFFFAOYSA-N 1 0 301.430 4.387 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)c1cccc(C#N)c1 ZINC000903406702 1046267036 /nfs/dbraw/zinc/26/70/36/1046267036.db2.gz YGHHFJSPUZMLDV-QRWLVFNGSA-N 1 0 322.456 4.357 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1cccc(C#N)c1 ZINC000903406701 1046268186 /nfs/dbraw/zinc/26/81/86/1046268186.db2.gz YGHHFJSPUZMLDV-MGPUTAFESA-N 1 0 322.456 4.357 20 30 DIEDRO C#CCCCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000758474594 1046273421 /nfs/dbraw/zinc/27/34/21/1046273421.db2.gz SVPQNXNLOZGVOI-FQEVSTJZSA-N 1 0 320.436 4.068 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903428349 1046277715 /nfs/dbraw/zinc/27/77/15/1046277715.db2.gz NSEKWGNMQIHWHY-NHCUHLMSSA-N 1 0 317.436 4.462 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903429450 1046280061 /nfs/dbraw/zinc/28/00/61/1046280061.db2.gz UGNRDIIFFOZSFM-VQTJNVASSA-N 1 0 303.409 4.072 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462016150 1046281263 /nfs/dbraw/zinc/28/12/63/1046281263.db2.gz FAKCBZJNBBMMKL-UHFFFAOYSA-N 1 0 302.296 4.012 20 30 DIEDRO C#CC1CC[NH+](Cc2cc3cccc(CC)c3nc2Cl)CC1 ZINC001138731093 1046283775 /nfs/dbraw/zinc/28/37/75/1046283775.db2.gz YTCWAOVEBNUREL-UHFFFAOYSA-N 1 0 312.844 4.296 20 30 DIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)CCC(C)C)ccc1OC ZINC000089632201 1046294931 /nfs/dbraw/zinc/29/49/31/1046294931.db2.gz ZIAXQCQAJCWZDM-WBVHZDCISA-N 1 0 318.461 4.290 20 30 DIEDRO C[N@H+](Cc1c[nH]c2c1cccc2Cl)Cc1cccc(C#N)c1 ZINC001138836762 1046308401 /nfs/dbraw/zinc/30/84/01/1046308401.db2.gz PUILGGYZUBOPBT-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1C ZINC001202875555 1046320669 /nfs/dbraw/zinc/32/06/69/1046320669.db2.gz NLDQJQDWNNCLRB-UHFFFAOYSA-N 1 0 300.427 4.007 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1sccc1Br ZINC000037748500 1046332870 /nfs/dbraw/zinc/33/28/70/1046332870.db2.gz INMVDSKPZFNFAX-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC(=O)CC)cc1 ZINC001138965682 1046343210 /nfs/dbraw/zinc/34/32/10/1046343210.db2.gz ZVTVGXWYQFBSMM-UHFFFAOYSA-N 1 0 309.409 4.190 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000748270736 1046362227 /nfs/dbraw/zinc/36/22/27/1046362227.db2.gz WWQYFPZIAPDCHM-XLIONFOSSA-N 1 0 324.399 4.284 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001139030019 1046363893 /nfs/dbraw/zinc/36/38/93/1046363893.db2.gz CEZSLPOQEHMZLK-UHFFFAOYSA-N 1 0 303.421 4.356 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001139030740 1046364482 /nfs/dbraw/zinc/36/44/82/1046364482.db2.gz SQEFQTRWROVPKW-GOSISDBHSA-N 1 0 323.436 4.250 20 30 DIEDRO C=CCOc1ccccc1C[N@H+](CC)Cc1ccc(OC)cc1 ZINC001139030471 1046364533 /nfs/dbraw/zinc/36/45/33/1046364533.db2.gz NRXHUCCVVQWRDS-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000796639962 1046381203 /nfs/dbraw/zinc/38/12/03/1046381203.db2.gz QVEYTEVWFXKYTB-UHFFFAOYSA-N 1 0 302.421 4.123 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1OCC ZINC000052659680 1046383504 /nfs/dbraw/zinc/38/35/04/1046383504.db2.gz IRVDTACECQQWRO-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO CCCCCCC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000832777834 1046392407 /nfs/dbraw/zinc/39/24/07/1046392407.db2.gz CBIFOZKLNFDKFV-UHFFFAOYSA-N 1 0 308.432 4.305 20 30 DIEDRO C#CCCCCCC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000780660452 1046398055 /nfs/dbraw/zinc/39/80/55/1046398055.db2.gz SAYVQFUALZTPTI-UHFFFAOYSA-N 1 0 312.457 4.180 20 30 DIEDRO N#Cc1cc(F)ccc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000104706525 1046399489 /nfs/dbraw/zinc/39/94/89/1046399489.db2.gz OLORXEJYVWGNAD-IBGZPJMESA-N 1 0 312.363 4.467 20 30 DIEDRO CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000780726761 1046399909 /nfs/dbraw/zinc/39/99/09/1046399909.db2.gz NTNREMMRELOIJC-YJBOKZPZSA-N 1 0 323.440 4.176 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000780745241 1046401732 /nfs/dbraw/zinc/40/17/32/1046401732.db2.gz HTKYZFLCZFZTJH-BMIGLBTASA-N 1 0 315.417 4.191 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000780743715 1046401881 /nfs/dbraw/zinc/40/18/81/1046401881.db2.gz SXTWESQCGZKPGY-DOTOQJQBSA-N 1 0 323.864 4.428 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cn(C)c2ccc(Br)cc12 ZINC001139218997 1046414736 /nfs/dbraw/zinc/41/47/36/1046414736.db2.gz NZTFLBNXGXANCA-UHFFFAOYSA-N 1 0 319.246 4.115 20 30 DIEDRO C=CC[NH+](CC=C)Cc1c[nH]c2cc(Br)ccc12 ZINC001142401914 1046417450 /nfs/dbraw/zinc/41/74/50/1046417450.db2.gz MCNKUJWKJCFIRK-UHFFFAOYSA-N 1 0 305.219 4.104 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CC(=O)c1ccccc1F)c1ccccc1 ZINC000639654240 1046420015 /nfs/dbraw/zinc/42/00/15/1046420015.db2.gz IKMPQCAEXBNKCN-GOSISDBHSA-N 1 0 310.372 4.033 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCC(OC(C)C)CC2)cc1 ZINC000090771950 1046422329 /nfs/dbraw/zinc/42/23/29/1046422329.db2.gz UICQIDPXLNWQRI-PPDQVPDSSA-N 1 0 315.457 4.085 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(OC)cc3)s2)C1 ZINC001139286180 1046425593 /nfs/dbraw/zinc/42/55/93/1046425593.db2.gz GLJBPSPBFYDHHQ-HNNXBMFYSA-N 1 0 311.450 4.269 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(OC)cc3)s2)C1 ZINC001139286181 1046426008 /nfs/dbraw/zinc/42/60/08/1046426008.db2.gz GLJBPSPBFYDHHQ-OAHLLOKOSA-N 1 0 311.450 4.269 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(-c3ccc(OC)cc3)s2)CC1 ZINC001139290728 1046426388 /nfs/dbraw/zinc/42/63/88/1046426388.db2.gz RPXFPSPGXQHDGU-UHFFFAOYSA-N 1 0 311.450 4.269 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCC(C#N)CC3)s2)cc1 ZINC001139284400 1046426517 /nfs/dbraw/zinc/42/65/17/1046426517.db2.gz PKHWXMKHSRFLPC-UHFFFAOYSA-N 1 0 312.438 4.159 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000090883805 1046426793 /nfs/dbraw/zinc/42/67/93/1046426793.db2.gz GFAYRCBHTROXGF-GFCCVEGCSA-N 1 0 301.402 4.245 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC(C)(C)C2CCOCC2)cc1 ZINC000897441885 1046427423 /nfs/dbraw/zinc/42/74/23/1046427423.db2.gz LCSGFDILDFHFFC-UHFFFAOYSA-N 1 0 314.473 4.030 20 30 DIEDRO N#CC1CC[NH+](Cc2ccccc2Oc2ccc(F)cc2)CC1 ZINC001139297866 1046427872 /nfs/dbraw/zinc/42/78/72/1046427872.db2.gz LYBPNKJJJDKDPL-UHFFFAOYSA-N 1 0 310.372 4.354 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC001254637036 1046430935 /nfs/dbraw/zinc/43/09/35/1046430935.db2.gz NJZGXUUDMCOBFM-RYUDHWBXSA-N 1 0 300.349 4.080 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2)c1 ZINC000749129400 1046432043 /nfs/dbraw/zinc/43/20/43/1046432043.db2.gz QZLJJALFHHRXQC-YJBOKZPZSA-N 1 0 324.424 4.227 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000781420202 1046442412 /nfs/dbraw/zinc/44/24/12/1046442412.db2.gz JBBYCTSJGKHWKZ-QWHCGFSZSA-N 1 0 300.352 4.291 20 30 DIEDRO C[C@@H]1CCCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139400142 1046443575 /nfs/dbraw/zinc/44/35/75/1046443575.db2.gz HYGNCESGQRNRIC-MRXNPFEDSA-N 1 0 305.425 4.242 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)c1 ZINC001139402448 1046443678 /nfs/dbraw/zinc/44/36/78/1046443678.db2.gz RTSBIVRPHQLPKU-BGYRXZFFSA-N 1 0 317.436 4.242 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CCC4(CCC4)CC3)cc2)c1 ZINC001139401528 1046443713 /nfs/dbraw/zinc/44/37/13/1046443713.db2.gz BWLCEUVMPNXYQP-UHFFFAOYSA-N 1 0 317.436 4.386 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001168243631 1046444483 /nfs/dbraw/zinc/44/44/83/1046444483.db2.gz JUTAYXQLRQGKMF-QAPCUYQASA-N 1 0 323.436 4.078 20 30 DIEDRO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000781423836 1046444473 /nfs/dbraw/zinc/44/44/73/1046444473.db2.gz SJNLSQNQZMWHQY-AWEZNQCLSA-N 1 0 311.404 4.004 20 30 DIEDRO C[N@H+](Cc1cccs1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406926 1046445576 /nfs/dbraw/zinc/44/55/76/1046445576.db2.gz JRGSPSPKHYAGEY-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407270 1046445656 /nfs/dbraw/zinc/44/56/56/1046445656.db2.gz VSAKTIHABIOFKV-JKSUJKDBSA-N 1 0 305.425 4.241 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C)C1 ZINC001139425908 1046448834 /nfs/dbraw/zinc/44/88/34/1046448834.db2.gz XYJIRWUVJHJFJT-HOTGVXAUSA-N 1 0 321.424 4.366 20 30 DIEDRO CC1(C)CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139425440 1046449232 /nfs/dbraw/zinc/44/92/32/1046449232.db2.gz OPMQZCSWFPFJMK-UHFFFAOYSA-N 1 0 321.424 4.368 20 30 DIEDRO CCCCCCCCCCN(C)Cc1c(N)ncnc1Cl ZINC001139442887 1046451120 /nfs/dbraw/zinc/45/11/20/1046451120.db2.gz SUJOXRJKVWJTDH-UHFFFAOYSA-N 1 0 312.889 4.285 20 30 DIEDRO C=CC[N@@H+](Cc1c2ccccc2[nH]c1C(=O)OCC)C(C)(C)C ZINC001139464679 1046452082 /nfs/dbraw/zinc/45/20/82/1046452082.db2.gz AURZVBKKEDWGMO-UHFFFAOYSA-N 1 0 314.429 4.131 20 30 DIEDRO CN(CCC#N)Cc1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC001139481870 1046454394 /nfs/dbraw/zinc/45/43/94/1046454394.db2.gz ONNKBJOXVOQOHX-UHFFFAOYSA-N 1 0 319.330 4.113 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccccc2)nc1 ZINC001139519736 1046461317 /nfs/dbraw/zinc/46/13/17/1046461317.db2.gz WSIJPYKSFSSXOR-LUPIEILUSA-N 1 0 303.409 4.015 20 30 DIEDRO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC001139527866 1046463422 /nfs/dbraw/zinc/46/34/22/1046463422.db2.gz RWRBMDSBBREWRD-FQEVSTJZSA-N 1 0 324.399 4.433 20 30 DIEDRO C[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC001254679028 1046481694 /nfs/dbraw/zinc/48/16/94/1046481694.db2.gz JPWNXKICPXXGDE-SLEUVZQESA-N 1 0 307.235 4.134 20 30 DIEDRO C[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254679033 1046482094 /nfs/dbraw/zinc/48/20/94/1046482094.db2.gz JPWNXKICPXXGDE-YWPYICTPSA-N 1 0 307.235 4.134 20 30 DIEDRO C[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC001254679037 1046482435 /nfs/dbraw/zinc/48/24/35/1046482435.db2.gz JPWNXKICPXXGDE-ZOWXZIJZSA-N 1 0 307.235 4.134 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1)c1ccncc1 ZINC000781895541 1046484939 /nfs/dbraw/zinc/48/49/39/1046484939.db2.gz BTKZBELZZAETRA-AUUYWEPGSA-N 1 0 309.413 4.008 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)o1 ZINC000091892122 1046486231 /nfs/dbraw/zinc/48/62/31/1046486231.db2.gz GBINZJFAIQEZSY-PXNSSMCTSA-N 1 0 324.424 4.020 20 30 DIEDRO CCOc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc1CC ZINC001139618622 1046488413 /nfs/dbraw/zinc/48/84/13/1046488413.db2.gz DNVLAUGRLZNHEU-UHFFFAOYSA-N 1 0 320.436 4.078 20 30 DIEDRO CC(C)(CC1CCCCCC1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000782015489 1046490943 /nfs/dbraw/zinc/49/09/43/1046490943.db2.gz VWSLEJRFTARRFR-IBGZPJMESA-N 1 0 314.473 4.320 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C[C@H](C)c1ccc(Br)cc1 ZINC000897472930 1046492455 /nfs/dbraw/zinc/49/24/55/1046492455.db2.gz UNTVOEKKMZMNRM-OLZOCXBDSA-N 1 0 309.251 4.082 20 30 DIEDRO C[C@@H](C[NH2+]C[C@@H](C)CCC#N)c1ccc(Br)cc1 ZINC000897472932 1046493061 /nfs/dbraw/zinc/49/30/61/1046493061.db2.gz UNTVOEKKMZMNRM-STQMWFEESA-N 1 0 309.251 4.082 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CCC[C@H]3c3cccs3)c[nH]c21 ZINC001139703899 1046501079 /nfs/dbraw/zinc/50/10/79/1046501079.db2.gz XFHIXUGQZGKEBH-INIZCTEOSA-N 1 0 307.422 4.438 20 30 DIEDRO N#Cc1c(Cl)cccc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001139694055 1046501531 /nfs/dbraw/zinc/50/15/31/1046501531.db2.gz ZPXPMZUWRTVNKO-UHFFFAOYSA-N 1 0 306.812 4.316 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CCCC[C@H]3c3cccnc3)c[nH]c21 ZINC001139702791 1046501954 /nfs/dbraw/zinc/50/19/54/1046501954.db2.gz AERGPQJZBIHHNM-IBGZPJMESA-N 1 0 316.408 4.162 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ccccc21 ZINC001139701389 1046502144 /nfs/dbraw/zinc/50/21/44/1046502144.db2.gz GVKUJNGGDJOBNW-CQSZACIVSA-N 1 0 301.393 4.159 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1C#N ZINC001139726001 1046507028 /nfs/dbraw/zinc/50/70/28/1046507028.db2.gz MHBAICHLODOCFM-OAQYLSRUSA-N 1 0 320.436 4.048 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(COc3ccccc3)CC2)cc1C#N ZINC001139723555 1046507339 /nfs/dbraw/zinc/50/73/39/1046507339.db2.gz ALMOYMBEUZHNII-UHFFFAOYSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCn1cc(C[NH+]2CCC(c3cccc(Cl)c3)CC2)cn1 ZINC001139767955 1046514455 /nfs/dbraw/zinc/51/44/55/1046514455.db2.gz FVKVOHQBFGBWIA-UHFFFAOYSA-N 1 0 315.848 4.102 20 30 DIEDRO C=CCN(Cc1cc(Cl)ncc1Br)C(C)(C)C ZINC001139809500 1046524847 /nfs/dbraw/zinc/52/48/47/1046524847.db2.gz NSXONFCGTGREFI-UHFFFAOYSA-N 1 0 317.658 4.284 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001139822573 1046525640 /nfs/dbraw/zinc/52/56/40/1046525640.db2.gz GMADGYBNYPZSHH-OAHLLOKOSA-N 1 0 311.454 4.244 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)cc1 ZINC000782544832 1046535584 /nfs/dbraw/zinc/53/55/84/1046535584.db2.gz XBBPRHXPPNBOGR-MRXNPFEDSA-N 1 0 313.363 4.155 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000782543244 1046536186 /nfs/dbraw/zinc/53/61/86/1046536186.db2.gz GWFWTWNNCBHJLT-IUODEOHRSA-N 1 0 314.351 4.044 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139878813 1046539103 /nfs/dbraw/zinc/53/91/03/1046539103.db2.gz XPKOMMZMABRNOU-UHFFFAOYSA-N 1 0 308.400 4.251 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139875253 1046540044 /nfs/dbraw/zinc/54/00/44/1046540044.db2.gz XALWAPCSLYCLDO-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO N#Cc1cc(F)cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c1 ZINC001139877807 1046540171 /nfs/dbraw/zinc/54/01/71/1046540171.db2.gz UGPOZSPWVLZKIU-UHFFFAOYSA-N 1 0 318.395 4.258 20 30 DIEDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(C#N)c1 ZINC001139876314 1046540612 /nfs/dbraw/zinc/54/06/12/1046540612.db2.gz QXYIIYFVQYAMIZ-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(C#N)c2)c1 ZINC001139876457 1046540759 /nfs/dbraw/zinc/54/07/59/1046540759.db2.gz YYFUZHNSIQSQCO-IBGZPJMESA-N 1 0 310.372 4.043 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)CCc1n[nH]c2ccccc21)c1ccccc1 ZINC000782772368 1046542663 /nfs/dbraw/zinc/54/26/63/1046542663.db2.gz APZWUCZDLZKZRA-VQIMIIECSA-N 1 0 317.436 4.238 20 30 DIEDRO Cc1ccc(C(F)(F)F)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139887580 1046545271 /nfs/dbraw/zinc/54/52/71/1046545271.db2.gz SRAOGODTBIBOEZ-DVSIDAKKSA-N 1 0 308.347 4.280 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134458418 1046546775 /nfs/dbraw/zinc/54/67/75/1046546775.db2.gz KYGCTDUNJUESGZ-NSHDSACASA-N 1 0 317.380 4.035 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccccc1 ZINC000782963130 1046548900 /nfs/dbraw/zinc/54/89/00/1046548900.db2.gz IGLQYYFWBUAQHX-SFHVURJKSA-N 1 0 311.812 4.129 20 30 DIEDRO CC[N@H+](CCC(F)(F)F)Cc1cccc(OCCCC#N)c1 ZINC000092737711 1046563574 /nfs/dbraw/zinc/56/35/74/1046563574.db2.gz DTKZAELUSARGLN-UHFFFAOYSA-N 1 0 314.351 4.143 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000248172714 1046574399 /nfs/dbraw/zinc/57/43/99/1046574399.db2.gz VBVIJWNHXOQDHW-ZMSDIMECSA-N 1 0 323.864 4.020 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)nc1 ZINC000783294425 1046575135 /nfs/dbraw/zinc/57/51/35/1046575135.db2.gz QFRNPWHUSYQZAU-SFHVURJKSA-N 1 0 311.816 4.164 20 30 DIEDRO C#CCCCCCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001206741141 1046575728 /nfs/dbraw/zinc/57/57/28/1046575728.db2.gz FLHFHCSAFXTLID-INIZCTEOSA-N 1 0 314.256 4.200 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccn1 ZINC000729678887 1046576025 /nfs/dbraw/zinc/57/60/25/1046576025.db2.gz LSEMYJAZOCBBFN-CRAIPNDOSA-N 1 0 309.413 4.003 20 30 DIEDRO C=C(Br)C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000729682227 1046576280 /nfs/dbraw/zinc/57/62/80/1046576280.db2.gz WLZVFWFPJNCSHL-UHFFFAOYSA-N 1 0 302.215 4.352 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)cn1)CCC2 ZINC000783300648 1046576530 /nfs/dbraw/zinc/57/65/30/1046576530.db2.gz OTYHJRLACJWTJN-FQEVSTJZSA-N 1 0 305.425 4.244 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)nc1 ZINC000783299406 1046577093 /nfs/dbraw/zinc/57/70/93/1046577093.db2.gz BYMIQGNJLJPAQY-AEFFLSMTSA-N 1 0 311.816 4.033 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000783328432 1046582238 /nfs/dbraw/zinc/58/22/38/1046582238.db2.gz BBMJZFHRSQDCQQ-DOMZBBRYSA-N 1 0 314.351 4.217 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000783325738 1046582691 /nfs/dbraw/zinc/58/26/91/1046582691.db2.gz AJCSMQFJRJQQOX-BBWFWOEESA-N 1 0 322.493 4.157 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000678213067 1046587054 /nfs/dbraw/zinc/58/70/54/1046587054.db2.gz UOKJWARCGZBQGM-FQEVSTJZSA-N 1 0 309.409 4.294 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000678212574 1046588219 /nfs/dbraw/zinc/58/82/19/1046588219.db2.gz JHVPOICJFUJILD-UHFFFAOYSA-N 1 0 308.425 4.026 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC1 ZINC001140096258 1046588557 /nfs/dbraw/zinc/58/85/57/1046588557.db2.gz NPNKGIPLIMZXMW-CYBMUJFWSA-N 1 0 315.417 4.075 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1cccc(F)c1 ZINC001140116359 1046595076 /nfs/dbraw/zinc/59/50/76/1046595076.db2.gz WAAVZWQWZRJOBX-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cc1 ZINC001140115285 1046596067 /nfs/dbraw/zinc/59/60/67/1046596067.db2.gz SWCUKPNTZFUVDL-AWEZNQCLSA-N 1 0 319.408 4.241 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CCc4ccccc43)CC2)c(F)c1 ZINC001140136169 1046597632 /nfs/dbraw/zinc/59/76/32/1046597632.db2.gz MRTLOSLYKLXPCM-UHFFFAOYSA-N 1 0 320.411 4.177 20 30 DIEDRO C=CC1CC[NH+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000678259875 1046601720 /nfs/dbraw/zinc/60/17/20/1046601720.db2.gz GZRRRXRCUNGAOD-UHFFFAOYSA-N 1 0 321.424 4.231 20 30 DIEDRO CC(C)(C)C[NH+]1CCC(Nc2nccc3ccc(C#N)cc32)CC1 ZINC001161207193 1046612358 /nfs/dbraw/zinc/61/23/58/1046612358.db2.gz KIYRRUOQQNDBKK-UHFFFAOYSA-N 1 0 322.456 4.029 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]CCCCCOc2ccccc2)c1 ZINC000783638886 1046616833 /nfs/dbraw/zinc/61/68/33/1046616833.db2.gz KVVDGGQBDAXRPJ-UHFFFAOYSA-N 1 0 312.388 4.036 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)C2 ZINC000248555728 1046624217 /nfs/dbraw/zinc/62/42/17/1046624217.db2.gz LNNODQFLOPPMRA-GCKMJXCFSA-N 1 0 320.436 4.309 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000532987484 1046635854 /nfs/dbraw/zinc/63/58/54/1046635854.db2.gz VCZDXAOGYPQGGC-UHFFFAOYSA-N 1 0 314.791 4.172 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccc(OCC#N)cc1 ZINC000834640605 1046643440 /nfs/dbraw/zinc/64/34/40/1046643440.db2.gz PMIQXKCGLVUIMV-DLBZAZTESA-N 1 0 323.440 4.046 20 30 DIEDRO C#CC1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC001140297357 1046644752 /nfs/dbraw/zinc/64/47/52/1046644752.db2.gz ZKUGJYITZZTPRZ-UHFFFAOYSA-N 1 0 316.857 4.309 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(O)c(C(C)(C)C)c1 ZINC000784015904 1046651209 /nfs/dbraw/zinc/65/12/09/1046651209.db2.gz YQWITXIIPOZPHQ-IBGZPJMESA-N 1 0 300.446 4.124 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)cc1 ZINC000245781719 1046651182 /nfs/dbraw/zinc/65/11/82/1046651182.db2.gz UMFWOLPLTBNMQU-JXFKEZNVSA-N 1 0 323.440 4.043 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000834814388 1046674732 /nfs/dbraw/zinc/67/47/32/1046674732.db2.gz JSFQGRWTHCWCJC-LSDHHAIUSA-N 1 0 324.380 4.019 20 30 DIEDRO C[C@@H](O)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000795787241 1046677009 /nfs/dbraw/zinc/67/70/09/1046677009.db2.gz PWVGZHBIIPSXNM-VFNWGFHPSA-N 1 0 320.436 4.169 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000678606654 1046677476 /nfs/dbraw/zinc/67/74/76/1046677476.db2.gz SUIIMSXYSKUICA-AWEZNQCLSA-N 1 0 300.229 4.163 20 30 DIEDRO C=CC1CC[NH+](Cc2csc(-c3cccc(OC)c3)n2)CC1 ZINC000533287187 1046687720 /nfs/dbraw/zinc/68/77/20/1046687720.db2.gz VRKXTNUOHDOTIO-UHFFFAOYSA-N 1 0 314.454 4.217 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccc3ccccc3c2)c(F)c1 ZINC000533309818 1046688951 /nfs/dbraw/zinc/68/89/51/1046688951.db2.gz WFBDNOJWKHCLQK-UHFFFAOYSA-N 1 0 304.368 4.183 20 30 DIEDRO C[C@]1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1(Cl)Cl ZINC000834884113 1046697251 /nfs/dbraw/zinc/69/72/51/1046697251.db2.gz KJMBYJKMYWQMDS-HUUCEWRRSA-N 1 0 309.240 4.109 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH]n2)CC1 ZINC000784672636 1046706071 /nfs/dbraw/zinc/70/60/71/1046706071.db2.gz MPEZWDYAIGASCQ-HNNXBMFYSA-N 1 0 306.498 4.026 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](CCCOC)c2ccc(F)cc2)c1 ZINC000834902734 1046711631 /nfs/dbraw/zinc/71/16/31/1046711631.db2.gz KPVHYFPBVHVVTD-FQEVSTJZSA-N 1 0 311.400 4.065 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000834904588 1046713828 /nfs/dbraw/zinc/71/38/28/1046713828.db2.gz ZPFBAJVSRKUSTM-GHTZIAJQSA-N 1 0 323.411 4.065 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2c(cc1O)CCCC2 ZINC000834903269 1046714486 /nfs/dbraw/zinc/71/44/86/1046714486.db2.gz NXTSGHKVWXYHIA-CYBMUJFWSA-N 1 0 324.399 4.133 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000533439197 1046721758 /nfs/dbraw/zinc/72/17/58/1046721758.db2.gz HTJXNBBUBPJBOV-UHFFFAOYSA-N 1 0 308.425 4.337 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccccc2C(F)(F)F)c(F)c1 ZINC000533449340 1046723022 /nfs/dbraw/zinc/72/30/22/1046723022.db2.gz GZDQYXOYOZKBSX-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO CCCCCCCC[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000796797699 1046734262 /nfs/dbraw/zinc/73/42/62/1046734262.db2.gz JQIZYEGVVTUIOI-AWEZNQCLSA-N 1 0 304.434 4.029 20 30 DIEDRO COc1cc(F)cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001140483673 1046742327 /nfs/dbraw/zinc/74/23/27/1046742327.db2.gz XVUBLPZZXLJULO-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)c1cccc(C[NH3+])c1 ZINC001161226712 1046743987 /nfs/dbraw/zinc/74/39/87/1046743987.db2.gz LDJVIRAWKXOXBL-UHFFFAOYSA-N 1 0 304.478 4.358 20 30 DIEDRO C=CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ccncc1 ZINC000835040635 1046746101 /nfs/dbraw/zinc/74/61/01/1046746101.db2.gz QXTBSYDHJMPNSP-CYXJOQHWSA-N 1 0 307.441 4.068 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](CC)C[C@H]1C ZINC001140510372 1046759429 /nfs/dbraw/zinc/75/94/29/1046759429.db2.gz OCIQKAKYRUQPQA-SWNWVQGVSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccco1 ZINC000796972791 1046764941 /nfs/dbraw/zinc/76/49/41/1046764941.db2.gz RIWDXGLLWNPSBZ-HOTGVXAUSA-N 1 0 323.795 4.403 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC=C)cc2)cc1 ZINC000797005517 1046770601 /nfs/dbraw/zinc/77/06/01/1046770601.db2.gz BZXOECZDQLRFMG-QGZVFWFLSA-N 1 0 321.420 4.114 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(C)cc1)c1ccc(C#N)cc1 ZINC000797055910 1046781733 /nfs/dbraw/zinc/78/17/33/1046781733.db2.gz AEVDZSHMYNXABF-XPGWFJOJSA-N 1 0 308.425 4.030 20 30 DIEDRO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237356302 1046815163 /nfs/dbraw/zinc/81/51/63/1046815163.db2.gz HOIKGQOXSMYJAF-SFHVURJKSA-N 1 0 321.468 4.066 20 30 DIEDRO C=CCCSCC[NH2+]Cc1nc2ccccc2n1C(C)C ZINC001203054774 1046829896 /nfs/dbraw/zinc/82/98/96/1046829896.db2.gz CSLDUGQETYHBDL-UHFFFAOYSA-N 1 0 303.475 4.016 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccc(OCC#N)cc1 ZINC000796289206 1046840914 /nfs/dbraw/zinc/84/09/14/1046840914.db2.gz KNCXXOQZEILRLC-CQSZACIVSA-N 1 0 306.365 4.186 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc2occc2c1)c1ccc(OCC#N)cc1 ZINC000796289193 1046841529 /nfs/dbraw/zinc/84/15/29/1046841529.db2.gz KNCXXOQZEILRLC-AWEZNQCLSA-N 1 0 306.365 4.186 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000797586472 1046855724 /nfs/dbraw/zinc/85/57/24/1046855724.db2.gz DMKLFQQSVRBUSD-OAHLLOKOSA-N 1 0 315.436 4.160 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Cl)ccc1N)[C@@H]1CCc2ccccc21 ZINC001140717158 1046872218 /nfs/dbraw/zinc/87/22/18/1046872218.db2.gz LXIVJOROJFURJI-LJQANCHMSA-N 1 0 310.828 4.045 20 30 DIEDRO C=CC[N@@H+](Cc1cnc2[nH]ccc2c1Cl)C1CCCCC1 ZINC001138934606 1046873577 /nfs/dbraw/zinc/87/35/77/1046873577.db2.gz HIHAKORBYQTCQF-UHFFFAOYSA-N 1 0 303.837 4.489 20 30 DIEDRO CCC(CC)NN=C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000797786609 1046880438 /nfs/dbraw/zinc/88/04/38/1046880438.db2.gz DHBMZCLBKWAZDV-UHFFFAOYSA-N 1 0 301.478 4.195 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754362 1046888189 /nfs/dbraw/zinc/88/81/89/1046888189.db2.gz XCHOJQBMHNADQC-UHFFFAOYSA-N 1 0 312.363 4.415 20 30 DIEDRO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1F ZINC001140754303 1046888547 /nfs/dbraw/zinc/88/85/47/1046888547.db2.gz UVNVWQCQNLOXSE-MRXNPFEDSA-N 1 0 312.363 4.216 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(F)c(C#N)c(F)c2)cc1 ZINC001140754507 1046889300 /nfs/dbraw/zinc/88/93/00/1046889300.db2.gz BTEVHEMNEKBZAT-LBPRGKRZSA-N 1 0 316.351 4.038 20 30 DIEDRO Cc1ccc(Br)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001137386300 1046896185 /nfs/dbraw/zinc/89/61/85/1046896185.db2.gz YYSYICZZNGTGMX-XMQYKBBCSA-N 1 0 319.246 4.024 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2CCC2)c1 ZINC000237836503 1046901595 /nfs/dbraw/zinc/90/15/95/1046901595.db2.gz LAXAGVNHLOJDCZ-UHFFFAOYSA-N 1 0 306.409 4.027 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191943269 1046902165 /nfs/dbraw/zinc/90/21/65/1046902165.db2.gz QBNDPYDAPSVHGS-UXHICEINSA-N 1 0 320.436 4.108 20 30 DIEDRO N#CCC[N@H+](Cc1c[nH]c2ccncc12)C1CCCCCCC1 ZINC001140803504 1046907932 /nfs/dbraw/zinc/90/79/32/1046907932.db2.gz QWYQNQLFWCXXPR-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1Cl ZINC001140809965 1046910128 /nfs/dbraw/zinc/91/01/28/1046910128.db2.gz OPTBNHLIACRDSX-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1Cl ZINC001140809924 1046910450 /nfs/dbraw/zinc/91/04/50/1046910450.db2.gz NFZZIAQLCHCTRW-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1Cl ZINC001140810974 1046910500 /nfs/dbraw/zinc/91/05/00/1046910500.db2.gz JFYZQFQHVXWKGK-INIZCTEOSA-N 1 0 310.828 4.276 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c1 ZINC000303694520 1046947834 /nfs/dbraw/zinc/94/78/34/1046947834.db2.gz CYFBDSHIHBVPFX-UHFFFAOYSA-N 1 0 321.346 4.249 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000615085916 1046950412 /nfs/dbraw/zinc/95/04/12/1046950412.db2.gz RCHMOGPPWYUXDU-QUCCMNQESA-N 1 0 308.400 4.297 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000615085912 1046950779 /nfs/dbraw/zinc/95/07/79/1046950779.db2.gz RCHMOGPPWYUXDU-AZUAARDMSA-N 1 0 308.400 4.297 20 30 DIEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(Cl)c2)cc1 ZINC000303722591 1046953813 /nfs/dbraw/zinc/95/38/13/1046953813.db2.gz YJFBWKXQDFWNHD-UHFFFAOYSA-N 1 0 317.820 4.054 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2OC)cc1 ZINC000303722376 1046953914 /nfs/dbraw/zinc/95/39/14/1046953914.db2.gz YBZJVCUDBPMOFE-CQSZACIVSA-N 1 0 311.429 4.136 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(C(F)(F)F)cc2)c1 ZINC000303777415 1046963638 /nfs/dbraw/zinc/96/36/38/1046963638.db2.gz ISWSKEYUEQWWIE-UHFFFAOYSA-N 1 0 321.346 4.249 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2sccc2C)cc1 ZINC000303782454 1046963672 /nfs/dbraw/zinc/96/36/72/1046963672.db2.gz NGTRPMDFYLSYDS-GFCCVEGCSA-N 1 0 301.459 4.497 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCCc2cccs2)cc1 ZINC000303768190 1046963892 /nfs/dbraw/zinc/96/38/92/1046963892.db2.gz ACXUVQULVGLDAO-ZDUSSCGKSA-N 1 0 301.459 4.231 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000680350605 1046970314 /nfs/dbraw/zinc/97/03/14/1046970314.db2.gz JXGQWHLTMBGWJM-INIZCTEOSA-N 1 0 307.397 4.066 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000798925384 1046987402 /nfs/dbraw/zinc/98/74/02/1046987402.db2.gz AHTQONPOFPFTSF-MOPGFXCFSA-N 1 0 305.425 4.078 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000798928740 1046987587 /nfs/dbraw/zinc/98/75/87/1046987587.db2.gz DDBVRFICXKOLMU-SNVBAGLBSA-N 1 0 322.168 4.135 20 30 DIEDRO CCOc1cccc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)c1 ZINC000303899260 1047005031 /nfs/dbraw/zinc/00/50/31/1047005031.db2.gz RLZUDQZNUXCECP-UHFFFAOYSA-N 1 0 311.429 4.136 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000303983127 1047011855 /nfs/dbraw/zinc/01/18/55/1047011855.db2.gz AQDRRSVOYRZNPG-BRWVUGGUSA-N 1 0 322.493 4.110 20 30 DIEDRO CC1(C)CCc2cc(C[NH2+]CC3CCC(C#N)CC3)ccc2O1 ZINC000799343174 1047021089 /nfs/dbraw/zinc/02/10/89/1047021089.db2.gz BNNAKSSBIWVDRS-UHFFFAOYSA-N 1 0 312.457 4.210 20 30 DIEDRO N#Cc1cc(F)ccc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001141163989 1047031771 /nfs/dbraw/zinc/03/17/71/1047031771.db2.gz XWCFIXYLEJCPHY-UHFFFAOYSA-N 1 0 320.411 4.177 20 30 DIEDRO [NH2+]=C(NCc1cccs1)Nc1cccc(Oc2ccccc2)c1 ZINC000304498833 1047038827 /nfs/dbraw/zinc/03/88/27/1047038827.db2.gz QWIANDIXSOUNIU-UHFFFAOYSA-N 1 0 323.421 4.467 20 30 DIEDRO CCO[C@@H](CCNC(=[NH2+])Nc1ccc(C)c(C)c1)C1CCCC1 ZINC000304516239 1047038980 /nfs/dbraw/zinc/03/89/80/1047038980.db2.gz VRZBNWPXHGTBJQ-SFHVURJKSA-N 1 0 317.477 4.015 20 30 DIEDRO Cc1cccc2c(CCNC(=[NH2+])Nc3ccc(C)c(C)c3)c[nH]c21 ZINC000304747383 1047050045 /nfs/dbraw/zinc/05/00/45/1047050045.db2.gz GIRUDBGYYXIELH-UHFFFAOYSA-N 1 0 320.440 4.062 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCCc2c[nH]c3c2cccc3C)c1 ZINC000304765798 1047054441 /nfs/dbraw/zinc/05/44/41/1047054441.db2.gz ZTHHZEQPGDVVAQ-UHFFFAOYSA-N 1 0 320.440 4.062 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCC(C)(C)c2cccs2)c1 ZINC000304760396 1047054929 /nfs/dbraw/zinc/05/49/29/1047054929.db2.gz SINBDMLRISTYMN-UHFFFAOYSA-N 1 0 301.459 4.015 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)c2ccc(F)cc2F)c1 ZINC000304764994 1047054994 /nfs/dbraw/zinc/05/49/94/1047054994.db2.gz YSAAZBGNEFAEAL-CYBMUJFWSA-N 1 0 317.383 4.112 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCCc2c(OC)cccc21)c1ccccc1 ZINC000799720135 1047055444 /nfs/dbraw/zinc/05/54/44/1047055444.db2.gz BNZQGKOFKNHVLC-PMACEKPBSA-N 1 0 305.421 4.427 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000680870606 1047058697 /nfs/dbraw/zinc/05/86/97/1047058697.db2.gz VLZJFDRLONQNNI-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@]1(C)CC1(Cl)Cl ZINC000827516326 1047104595 /nfs/dbraw/zinc/10/45/95/1047104595.db2.gz RHEZIRKSYJSSME-OAHLLOKOSA-N 1 0 309.240 4.130 20 30 DIEDRO C[C@@]1(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1(Cl)Cl ZINC000827520597 1047107596 /nfs/dbraw/zinc/10/75/96/1047107596.db2.gz GZAHCEHVBCJPTP-HNNXBMFYSA-N 1 0 309.240 4.107 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000536879160 1047118190 /nfs/dbraw/zinc/11/81/90/1047118190.db2.gz RKCJGCYFAPZJIJ-LBPRGKRZSA-N 1 0 309.356 4.469 20 30 DIEDRO C=CC[N@@H+](Cc1cc(F)cc2c1OCOC2)C1CCCCC1 ZINC001141401024 1047119916 /nfs/dbraw/zinc/11/99/16/1047119916.db2.gz DGMPVYNOGFKYII-UHFFFAOYSA-N 1 0 305.393 4.013 20 30 DIEDRO C=C(C)CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000681401844 1047123343 /nfs/dbraw/zinc/12/33/43/1047123343.db2.gz BLVFXZWUOTYXCM-UHFFFAOYSA-N 1 0 302.393 4.311 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000536984536 1047126070 /nfs/dbraw/zinc/12/60/70/1047126070.db2.gz GSIAGKBOALJIQE-VBQJREDUSA-N 1 0 317.864 4.053 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000537013559 1047130138 /nfs/dbraw/zinc/13/01/38/1047130138.db2.gz JIQGHYKFYGEAPI-INIZCTEOSA-N 1 0 324.262 4.083 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000536999339 1047130363 /nfs/dbraw/zinc/13/03/63/1047130363.db2.gz JKSSXKWVDWMSSZ-IBGZPJMESA-N 1 0 318.892 4.421 20 30 DIEDRO C=CCC(CC=C)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000537127728 1047140509 /nfs/dbraw/zinc/14/05/09/1047140509.db2.gz CDEKVHRFUYWOOL-UHFFFAOYSA-N 1 0 312.457 4.030 20 30 DIEDRO CO[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC001116477771 1047146356 /nfs/dbraw/zinc/14/63/56/1047146356.db2.gz KYCJYXVYDSSSTN-VQTJNVASSA-N 1 0 324.399 4.052 20 30 DIEDRO CO[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC001116477769 1047146465 /nfs/dbraw/zinc/14/64/65/1047146465.db2.gz KYCJYXVYDSSSTN-PMACEKPBSA-N 1 0 324.399 4.052 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1ccc(C(F)(F)F)nn1 ZINC001141492819 1047149313 /nfs/dbraw/zinc/14/93/13/1047149313.db2.gz ILRAWNVEGYHWGA-UHFFFAOYSA-N 1 0 303.372 4.288 20 30 DIEDRO C=CCO[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001116554017 1047156532 /nfs/dbraw/zinc/15/65/32/1047156532.db2.gz CHASQOUBGGGEHZ-OAQYLSRUSA-N 1 0 323.436 4.043 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC001116620877 1047163355 /nfs/dbraw/zinc/16/33/55/1047163355.db2.gz ONQPJIHIBKQVKO-GXFFZTMASA-N 1 0 308.472 4.032 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000537328293 1047169433 /nfs/dbraw/zinc/16/94/33/1047169433.db2.gz ASMPLMSRVFTVJL-QGZVFWFLSA-N 1 0 302.418 4.116 20 30 DIEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)o1 ZINC001116723125 1047171336 /nfs/dbraw/zinc/17/13/36/1047171336.db2.gz AZHDLIDHLLLAQC-NMDZEQAHSA-N 1 0 306.409 4.117 20 30 DIEDRO CCOc1ccc2c(c1)C[N@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC001116734986 1047171467 /nfs/dbraw/zinc/17/14/67/1047171467.db2.gz HGGQHBYRMCCMBH-HNNXBMFYSA-N 1 0 306.409 4.076 20 30 DIEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)o1 ZINC001116723124 1047171482 /nfs/dbraw/zinc/17/14/82/1047171482.db2.gz AZHDLIDHLLLAQC-JWPJJUSYSA-N 1 0 306.409 4.117 20 30 DIEDRO C[N@H+](CC(C)(C)C#N)[C@H]1CCCc2ccc(Br)cc21 ZINC000433299350 1047176168 /nfs/dbraw/zinc/17/61/68/1047176168.db2.gz BLRULWNSPXGOCC-HNNXBMFYSA-N 1 0 321.262 4.308 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000537384449 1047176596 /nfs/dbraw/zinc/17/65/96/1047176596.db2.gz GHMCESKNEHGYTC-AWEZNQCLSA-N 1 0 313.470 4.416 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(C#N)c(F)c1 ZINC000537407966 1047181351 /nfs/dbraw/zinc/18/13/51/1047181351.db2.gz SFGKFIWUKGGSBV-CQSZACIVSA-N 1 0 319.383 4.139 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001117105618 1047194094 /nfs/dbraw/zinc/19/40/94/1047194094.db2.gz ZFLJWLNOMMMVEA-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(C(F)(F)F)cc1O ZINC000839164039 1047201094 /nfs/dbraw/zinc/20/10/94/1047201094.db2.gz WITFGXKMPLZAQK-ZDUSSCGKSA-N 1 0 314.351 4.392 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)c(OC)c(OC)c1 ZINC001137509670 1047236111 /nfs/dbraw/zinc/23/61/11/1047236111.db2.gz WQJZYQCAURSXSA-UHFFFAOYSA-N 1 0 315.388 4.031 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C/C=C/C3CC3)c2)c1 ZINC001117759812 1047242560 /nfs/dbraw/zinc/24/25/60/1047242560.db2.gz COMGBZAIYVTTFZ-XVNBXDOJSA-N 1 0 318.420 4.193 20 30 DIEDRO C[C@@]12CC[N@H+](CCC3(C#N)CCCCC3)C[C@@H]1C2(Cl)Cl ZINC000839595292 1047250319 /nfs/dbraw/zinc/25/03/19/1047250319.db2.gz FPLISEFWGHLMPI-UONOGXRCSA-N 1 0 315.288 4.366 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001203112894 1047253931 /nfs/dbraw/zinc/25/39/31/1047253931.db2.gz FIXGEGKQGIHZMO-CXAGYDPISA-N 1 0 305.849 4.499 20 30 DIEDRO C=CC(C)(C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650678646 1047275850 /nfs/dbraw/zinc/27/58/50/1047275850.db2.gz NHJQRJNORAXUAR-UHFFFAOYSA-N 1 0 318.486 4.025 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000386709136 1047279336 /nfs/dbraw/zinc/27/93/36/1047279336.db2.gz OZWFONBUFKHSHM-ZACQAIPSSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CC1(CC(=O)Nc2ccc(-n3ccnc3C)nc2)CCCCC1 ZINC001141730478 1047280551 /nfs/dbraw/zinc/28/05/51/1047280551.db2.gz HIEGHEPINDEFKR-UHFFFAOYSA-N 1 0 324.428 4.041 20 30 DIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000387266847 1047283373 /nfs/dbraw/zinc/28/33/73/1047283373.db2.gz VRYFXHOIVJGKLW-LZQZEXGQSA-N 1 0 300.446 4.139 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001203113785 1047289269 /nfs/dbraw/zinc/28/92/69/1047289269.db2.gz QLMXGXPERNFSNF-QUCCMNQESA-N 1 0 311.473 4.261 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001203113815 1047289506 /nfs/dbraw/zinc/28/95/06/1047289506.db2.gz RKUSZTJUBDMXJZ-UYAOXDASSA-N 1 0 309.457 4.312 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001118489395 1047300308 /nfs/dbraw/zinc/30/03/08/1047300308.db2.gz KYDCVXQUHSEVRL-BGTYHANMSA-N 1 0 316.395 4.349 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000390855914 1047301715 /nfs/dbraw/zinc/30/17/15/1047301715.db2.gz JNWRWGRQBYZPHF-UKRRQHHQSA-N 1 0 308.372 4.065 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000392184586 1047305499 /nfs/dbraw/zinc/30/54/99/1047305499.db2.gz KRTYLMRCNVKCBT-KRWDZBQOSA-N 1 0 323.436 4.337 20 30 DIEDRO CSc1nc(C[N@H+](Cc2ccccc2)C2CCC2)ccc1C#N ZINC001141946044 1047314028 /nfs/dbraw/zinc/31/40/28/1047314028.db2.gz XNIZUFZTBFFXFI-UHFFFAOYSA-N 1 0 323.465 4.230 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@H]2C2CCCCC2)ccc1C#N ZINC001141944084 1047314076 /nfs/dbraw/zinc/31/40/76/1047314076.db2.gz WZPQWUOZWVAAJG-KRWDZBQOSA-N 1 0 315.486 4.220 20 30 DIEDRO CN(Cc1ccc(C#Cc2ccccc2)s1)Cc1cncs1 ZINC001141978048 1047326002 /nfs/dbraw/zinc/32/60/02/1047326002.db2.gz YIUPJYKRPXCMCF-UHFFFAOYSA-N 1 0 324.474 4.236 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000651761458 1047327309 /nfs/dbraw/zinc/32/73/09/1047327309.db2.gz SVRYZWCKBRDOFZ-FCLVOEFKSA-N 1 0 303.421 4.380 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(N2CCCCC2)c(F)c1 ZINC000840787441 1047333154 /nfs/dbraw/zinc/33/31/54/1047333154.db2.gz YADLTDVKVDGHAY-OAHLLOKOSA-N 1 0 317.452 4.406 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCSc2ccc(Cl)cc2)c(F)c1 ZINC000532990022 1047334049 /nfs/dbraw/zinc/33/40/49/1047334049.db2.gz MYNGDJASAWSELD-UHFFFAOYSA-N 1 0 320.820 4.233 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cnccc2C(C)(C)C)cc1 ZINC000840856883 1047346094 /nfs/dbraw/zinc/34/60/94/1047346094.db2.gz VVABUQXVZFQRBB-INIZCTEOSA-N 1 0 322.452 4.242 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000840870333 1047349164 /nfs/dbraw/zinc/34/91/64/1047349164.db2.gz XXKRGOLYYRAQHT-GFCCVEGCSA-N 1 0 301.356 4.110 20 30 DIEDRO C[C@]1(C#N)CCCN(CCCc2ccccc2Br)C1 ZINC000612163879 1047350278 /nfs/dbraw/zinc/35/02/78/1047350278.db2.gz ZPMDTJLDDSDVHP-MRXNPFEDSA-N 1 0 321.262 4.007 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2c(C)cc(OC)nc2C)CCCC1 ZINC001203119137 1047415772 /nfs/dbraw/zinc/41/57/72/1047415772.db2.gz OYPIYZCTXUIUKJ-UHFFFAOYSA-N 1 0 302.462 4.323 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC001168317171 1047425957 /nfs/dbraw/zinc/42/59/57/1047425957.db2.gz KMEJZSFYUVXJOW-UHFFFAOYSA-N 1 0 305.388 4.231 20 30 DIEDRO CC[C@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)cc2)ccc1OC ZINC000749701636 1047431368 /nfs/dbraw/zinc/43/13/68/1047431368.db2.gz SFMZCMAMTWQZEQ-HNNXBMFYSA-N 1 0 324.424 4.034 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)ccn1 ZINC000612480856 1047431470 /nfs/dbraw/zinc/43/14/70/1047431470.db2.gz FBDRZYZHLMDUIG-SFHVURJKSA-N 1 0 319.433 4.088 20 30 DIEDRO FC[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255706854 1047432155 /nfs/dbraw/zinc/43/21/55/1047432155.db2.gz XWNMWXUPROOOCI-HBNTYKKESA-N 1 0 321.280 4.331 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1O ZINC000841750757 1047450446 /nfs/dbraw/zinc/45/04/46/1047450446.db2.gz AUFVJYXYCMXHQA-DIFFPNOSSA-N 1 0 312.800 4.255 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cccc2nn(C)cc21 ZINC001142460660 1047458386 /nfs/dbraw/zinc/45/83/86/1047458386.db2.gz RMJVAQOGTNCWOM-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO CCCCCCCCCC[C@H](C)NC(=O)N1CCC([NH3+])CC1 ZINC000841868584 1047459354 /nfs/dbraw/zinc/45/93/54/1047459354.db2.gz RCGDNZYTJIYDHE-INIZCTEOSA-N 1 0 311.514 4.038 20 30 DIEDRO COc1c(C)cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000841893782 1047461437 /nfs/dbraw/zinc/46/14/37/1047461437.db2.gz JEWYPJKOFZLHGM-FQEVSTJZSA-N 1 0 320.436 4.351 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c(O)cccc1Cl ZINC000841894077 1047462205 /nfs/dbraw/zinc/46/22/05/1047462205.db2.gz MNEZEYVERUXMOX-QGZVFWFLSA-N 1 0 312.800 4.084 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000088559230 1047463224 /nfs/dbraw/zinc/46/32/24/1047463224.db2.gz CZOIFRWZGWGDFX-OAHLLOKOSA-N 1 0 307.235 4.280 20 30 DIEDRO N#CC1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000057875940 1047471343 /nfs/dbraw/zinc/47/13/43/1047471343.db2.gz SYMIWYWLFJZVTN-UHFFFAOYSA-N 1 0 317.845 4.199 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120324716 1047487482 /nfs/dbraw/zinc/48/74/82/1047487482.db2.gz RANHXZSEYJTOHK-MRXNPFEDSA-N 1 0 306.837 4.123 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(C)(C)CCC#N)C12CCCCC2 ZINC000537633042 1047510845 /nfs/dbraw/zinc/51/08/45/1047510845.db2.gz GKHJLIYRXXFPGY-DLBZAZTESA-N 1 0 306.494 4.376 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000842901197 1047511709 /nfs/dbraw/zinc/51/17/09/1047511709.db2.gz JCEMWESYVRYZHB-DOTOQJQBSA-N 1 0 315.461 4.002 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccc(F)cc1 ZINC001142922556 1047514585 /nfs/dbraw/zinc/51/45/85/1047514585.db2.gz MGJUCETVXSIZTM-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO N#Cc1ccc2c(C[N@H+]3CCc4c(Cl)cccc4C3)c[nH]c2c1 ZINC001142922459 1047514651 /nfs/dbraw/zinc/51/46/51/1047514651.db2.gz INUVPAKDHOMLRE-UHFFFAOYSA-N 1 0 321.811 4.251 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)c[nH]c2c1 ZINC001142928784 1047516805 /nfs/dbraw/zinc/51/68/05/1047516805.db2.gz KNYFKASWCQFPTD-GOSISDBHSA-N 1 0 315.420 4.419 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C(C)(C)C)c1O ZINC001143117084 1047533524 /nfs/dbraw/zinc/53/35/24/1047533524.db2.gz RZLFQLGXPVRFOB-UHFFFAOYSA-N 1 0 308.425 4.193 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H](C)C(C)C ZINC000092590497 1047537797 /nfs/dbraw/zinc/53/77/97/1047537797.db2.gz PHOXYHLTQUKRMC-INIZCTEOSA-N 1 0 318.461 4.244 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c1F ZINC001143173708 1047537952 /nfs/dbraw/zinc/53/79/52/1047537952.db2.gz DAKHQHBZYYKJKZ-HNNXBMFYSA-N 1 0 304.384 4.239 20 30 DIEDRO Cc1ccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)s1 ZINC000093049305 1047542692 /nfs/dbraw/zinc/54/26/92/1047542692.db2.gz IEZFQZLTJSRMDD-UHFFFAOYSA-N 1 0 314.454 4.371 20 30 DIEDRO C[N@H+](CCc1cccs1)Cc1cccc(OCCCC#N)c1 ZINC000093685410 1047549789 /nfs/dbraw/zinc/54/97/89/1047549789.db2.gz VBEGTSBPBTUCTD-UHFFFAOYSA-N 1 0 314.454 4.105 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001204375427 1047568976 /nfs/dbraw/zinc/56/89/76/1047568976.db2.gz SBBUHOIMUWWLQD-MRXNPFEDSA-N 1 0 323.436 4.207 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1C ZINC000926903387 1047579098 /nfs/dbraw/zinc/57/90/98/1047579098.db2.gz UMLHHEFCDBRZIL-IFXJQAMLSA-N 1 0 306.409 4.213 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001151993856 1047606295 /nfs/dbraw/zinc/60/62/95/1047606295.db2.gz YWHHOKMATVUHJQ-FHWLQOOXSA-N 1 0 322.537 4.316 20 30 DIEDRO C=CCC1(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)CCCC1 ZINC001153348148 1047622402 /nfs/dbraw/zinc/62/24/02/1047622402.db2.gz GIQDZMKNKWQPSB-UHFFFAOYSA-N 1 0 310.441 4.240 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000537950024 1047645684 /nfs/dbraw/zinc/64/56/84/1047645684.db2.gz GHKINCNANNXMDS-MAZHCROVSA-N 1 0 313.363 4.480 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000537950025 1047645946 /nfs/dbraw/zinc/64/59/46/1047645946.db2.gz GHKINCNANNXMDS-RCBQFDQVSA-N 1 0 313.363 4.480 20 30 DIEDRO CC(C)C[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977376 1047648953 /nfs/dbraw/zinc/64/89/53/1047648953.db2.gz GKJSEAGBCREGDT-ZLPCBKJTSA-N 1 0 300.446 4.272 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)cc1C#N ZINC000926967067 1047658435 /nfs/dbraw/zinc/65/84/35/1047658435.db2.gz ZNMXTVRWFZQIGX-QGZVFWFLSA-N 1 0 311.816 4.082 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000538258463 1047665637 /nfs/dbraw/zinc/66/56/37/1047665637.db2.gz YXDIPWGPMVPSRI-XLIONFOSSA-N 1 0 313.416 4.026 20 30 DIEDRO CCCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000060958619 1047666196 /nfs/dbraw/zinc/66/61/96/1047666196.db2.gz PHZLBHMLVIYHRQ-UHFFFAOYSA-N 1 0 308.425 4.417 20 30 DIEDRO Cc1cc(C[NH2+]CCSCc2ccccc2C#N)ccc1F ZINC000538317610 1047669427 /nfs/dbraw/zinc/66/94/27/1047669427.db2.gz GQCWLJDIHDOHER-UHFFFAOYSA-N 1 0 314.429 4.029 20 30 DIEDRO Cc1ccc(OCCCC[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000538397402 1047672292 /nfs/dbraw/zinc/67/22/92/1047672292.db2.gz CDAGYIXLZOIDOC-QGZVFWFLSA-N 1 0 308.425 4.377 20 30 DIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000538395941 1047674079 /nfs/dbraw/zinc/67/40/79/1047674079.db2.gz TYLJMIQSVRDAAC-IRXDYDNUSA-N 1 0 313.489 4.109 20 30 DIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)c2ccc(C#N)cc2)C1 ZINC000538395942 1047674134 /nfs/dbraw/zinc/67/41/34/1047674134.db2.gz TYLJMIQSVRDAAC-SJORKVTESA-N 1 0 313.489 4.109 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(C#N)cc1 ZINC000538393660 1047674183 /nfs/dbraw/zinc/67/41/83/1047674183.db2.gz CTWBBDULKLDITF-LIRRHRJNSA-N 1 0 308.450 4.239 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000538394042 1047674322 /nfs/dbraw/zinc/67/43/22/1047674322.db2.gz MHBKDJUOSBIWCC-CHWSQXEVSA-N 1 0 300.352 4.291 20 30 DIEDRO CCc1cccc2c(CC[NH2+][C@@H](C)c3cccc(C#N)c3)c[nH]c21 ZINC000538396466 1047675200 /nfs/dbraw/zinc/67/52/00/1047675200.db2.gz VIYDPQQLHJIKKK-HNNXBMFYSA-N 1 0 317.436 4.495 20 30 DIEDRO CCc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000538397874 1047675331 /nfs/dbraw/zinc/67/53/31/1047675331.db2.gz YEJWSPBQLODSNT-IERDGZPVSA-N 1 0 321.468 4.074 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)s1)Oc1cccc(Cl)c1 ZINC000538412357 1047676111 /nfs/dbraw/zinc/67/61/11/1047676111.db2.gz XGCMYIPIIXEMHV-CYBMUJFWSA-N 1 0 320.845 4.220 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2nccc3ccc(C#N)cc32)c1 ZINC001155340158 1047677377 /nfs/dbraw/zinc/67/73/77/1047677377.db2.gz ZHOOTEYWKKKVLN-CYBMUJFWSA-N 1 0 312.376 4.070 20 30 DIEDRO CC(C)(C#N)CCN(CCc1ccccc1)c1ccc(O)cc1 ZINC000538466716 1047680496 /nfs/dbraw/zinc/68/04/96/1047680496.db2.gz ODGCAUZQBNTHPQ-UHFFFAOYSA-N 1 0 308.425 4.381 20 30 DIEDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538508213 1047684550 /nfs/dbraw/zinc/68/45/50/1047684550.db2.gz CCPUQLLHSVPEBV-DAXOMENPSA-N 1 0 306.450 4.412 20 30 DIEDRO CC(C)c1ccc(C#N)c(-n2c(C[NH3+])cc3cc(Cl)ccc32)n1 ZINC001155989413 1047695215 /nfs/dbraw/zinc/69/52/15/1047695215.db2.gz GWYKGMXDZBAVCZ-UHFFFAOYSA-N 1 0 324.815 4.133 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000538720765 1047700730 /nfs/dbraw/zinc/70/07/30/1047700730.db2.gz UYBSIBIZGCKIFE-IUODEOHRSA-N 1 0 300.402 4.137 20 30 DIEDRO CC1CCC([N@@H+](Cc2ccc(C#N)s2)C[C@H]2CCCO2)CC1 ZINC000538735106 1047703228 /nfs/dbraw/zinc/70/32/28/1047703228.db2.gz XHGUUEKAZCUQDC-UYSNPLJNSA-N 1 0 318.486 4.179 20 30 DIEDRO C=CCOc1cccc(C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000538813062 1047714565 /nfs/dbraw/zinc/71/45/65/1047714565.db2.gz ZHXXKUFPYXSRFM-UHFFFAOYSA-N 1 0 313.363 4.416 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000128072087 1047721928 /nfs/dbraw/zinc/72/19/28/1047721928.db2.gz HJOLQSZPRHTSEV-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO CCSc1ccnc(N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001156765665 1047722038 /nfs/dbraw/zinc/72/20/38/1047722038.db2.gz FACAGNMZSANTAY-UHFFFAOYSA-N 1 0 323.465 4.449 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000924679701 1047722456 /nfs/dbraw/zinc/72/24/56/1047722456.db2.gz NSJCKMLIILWAIV-MRXNPFEDSA-N 1 0 323.440 4.079 20 30 DIEDRO C[C@H](Nc1nccc2c3c([nH]c21)CCC3)c1cccc(C#N)c1 ZINC001156876431 1047726163 /nfs/dbraw/zinc/72/61/63/1047726163.db2.gz ZISJMGCIOURPNW-LBPRGKRZSA-N 1 0 302.381 4.096 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000539244597 1047744468 /nfs/dbraw/zinc/74/44/68/1047744468.db2.gz ZGPXGDMQJXJULS-LJQANCHMSA-N 1 0 308.425 4.444 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccccc1CC)c1ccccc1 ZINC000539357910 1047748501 /nfs/dbraw/zinc/74/85/01/1047748501.db2.gz QFYRXKUIXSGYNU-IBGZPJMESA-N 1 0 322.452 4.485 20 30 DIEDRO C=CCCCCCCCCC(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160687 1047770719 /nfs/dbraw/zinc/77/07/19/1047770719.db2.gz LKHDXGDPXIJYBY-IBGZPJMESA-N 1 0 306.494 4.038 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927041489 1047771667 /nfs/dbraw/zinc/77/16/67/1047771667.db2.gz ZDONHYRAOAKPAC-WMZOPIPTSA-N 1 0 312.482 4.344 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000927041525 1047772042 /nfs/dbraw/zinc/77/20/42/1047772042.db2.gz ZKUQDCVIKABWMC-SJORKVTESA-N 1 0 300.471 4.417 20 30 DIEDRO N#Cc1c(Nc2csc3ccccc23)sc2c1CC[NH2+]C2 ZINC001159159175 1047817085 /nfs/dbraw/zinc/81/70/85/1047817085.db2.gz ARBOVQOXVHPNOS-UHFFFAOYSA-N 1 0 311.435 4.224 20 30 DIEDRO N#Cc1c(Nc2cccc(Cl)c2Cl)sc2c1CC[NH2+]C2 ZINC001159157696 1047817220 /nfs/dbraw/zinc/81/72/20/1047817220.db2.gz OKWIYKAJVZHVSP-UHFFFAOYSA-N 1 0 324.236 4.316 20 30 DIEDRO CCc1c(C)cc(Nc2sc3c(c2C#N)CC[NH2+]C3)cc1C ZINC001159159277 1047817463 /nfs/dbraw/zinc/81/74/63/1047817463.db2.gz DWSQAVRHMYGMMH-UHFFFAOYSA-N 1 0 311.454 4.188 20 30 DIEDRO CCCCc1ccc(Nc2sc3c(c2C#N)CC[NH2+]C3)cc1 ZINC001159159429 1047817470 /nfs/dbraw/zinc/81/74/70/1047817470.db2.gz HTSLITLVYZNYJC-UHFFFAOYSA-N 1 0 311.454 4.352 20 30 DIEDRO Cc1ccc2ccccc2c1Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001159159686 1047817475 /nfs/dbraw/zinc/81/74/75/1047817475.db2.gz OCXXDZGPSNSORB-UHFFFAOYSA-N 1 0 319.433 4.471 20 30 DIEDRO Cc1cc(C2CC2)ccc1Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001159157650 1047817511 /nfs/dbraw/zinc/81/75/11/1047817511.db2.gz MCMMEMOBGKYEQA-UHFFFAOYSA-N 1 0 309.438 4.195 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001159209577 1047819982 /nfs/dbraw/zinc/81/99/82/1047819982.db2.gz ZYDNKHSUAPIZRD-ROUUACIJSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001159209575 1047820905 /nfs/dbraw/zinc/82/09/05/1047820905.db2.gz ZYDNKHSUAPIZRD-MSOLQXFVSA-N 1 0 308.510 4.070 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2cccc(C#N)c2F)C1 ZINC001159384702 1047837764 /nfs/dbraw/zinc/83/77/64/1047837764.db2.gz AKTHUOHEBDUJSL-NWANDNLSSA-N 1 0 324.403 4.067 20 30 DIEDRO C#Cc1ccc(Nc2cnccc2[C@H]2C[C@H]([NH3+])C[C@@H](C)C2)cc1 ZINC001159390872 1047838790 /nfs/dbraw/zinc/83/87/90/1047838790.db2.gz OYCSPLSGFRMXDW-USXIJHARSA-N 1 0 305.425 4.037 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC001182844701 1047847089 /nfs/dbraw/zinc/84/70/89/1047847089.db2.gz OPZWGWLBABYDGD-KBAYOESNSA-N 1 0 317.473 4.359 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC001182844663 1047847736 /nfs/dbraw/zinc/84/77/36/1047847736.db2.gz NUQQNVODBKZCTH-WFASDCNBSA-N 1 0 309.837 4.279 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1cc(Cl)ccc1OCC#N)C(C)(C)C ZINC001197604148 1047851585 /nfs/dbraw/zinc/85/15/85/1047851585.db2.gz ZZGYIUWLKJLKDN-CYBMUJFWSA-N 1 0 308.853 4.356 20 30 DIEDRO CCCCCCCC(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC001159510020 1047857670 /nfs/dbraw/zinc/85/76/70/1047857670.db2.gz DCPGYUMIKIAQNC-UHFFFAOYSA-N 1 0 308.510 4.118 20 30 DIEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC001182917715 1047861771 /nfs/dbraw/zinc/86/17/71/1047861771.db2.gz ABELHXJLFHZFNZ-WMZOPIPTSA-N 1 0 307.865 4.234 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001182998962 1047875385 /nfs/dbraw/zinc/87/53/85/1047875385.db2.gz FMRRYMFCJQYAFJ-SWLSCSKDSA-N 1 0 302.245 4.361 20 30 DIEDRO N#Cc1c(F)cc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1F ZINC001159598167 1047877504 /nfs/dbraw/zinc/87/75/04/1047877504.db2.gz ISGWCASYBFWRNG-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1CCO[C@@H](CC)C1)c1ccc(F)c(F)c1 ZINC000479404803 1047878515 /nfs/dbraw/zinc/87/85/15/1047878515.db2.gz BCFOZOKSVUUXLS-XUWXXGDYSA-N 1 0 309.400 4.377 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]CC(C2CCC2)C2CCC2)C1 ZINC001183046638 1047879320 /nfs/dbraw/zinc/87/93/20/1047879320.db2.gz YINTXWULCGDMSO-UHFFFAOYSA-N 1 0 308.469 4.416 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC001183046619 1047879872 /nfs/dbraw/zinc/87/98/72/1047879872.db2.gz YCLWCCONJAQRLJ-HKUYNNGSSA-N 1 0 300.490 4.089 20 30 DIEDRO COc1cccc([C@]2(C)CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC001174573581 1047889762 /nfs/dbraw/zinc/88/97/62/1047889762.db2.gz FWCBYXDDGNBDSW-HRAATJIYSA-N 1 0 320.436 4.291 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001204368130 1047894061 /nfs/dbraw/zinc/89/40/61/1047894061.db2.gz KFLLRJPQESUPQQ-UHFFFAOYSA-N 1 0 300.405 4.119 20 30 DIEDRO CC[C@@H](C)C[C@H](CC)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001183197156 1047903187 /nfs/dbraw/zinc/90/31/87/1047903187.db2.gz OFKRFKBGZFUFSG-AEFFLSMTSA-N 1 0 313.489 4.331 20 30 DIEDRO CC(C)([NH3+])c1ccc(Nc2ccc(N3CCCC3)c(C#N)c2)cc1 ZINC001159706392 1047904441 /nfs/dbraw/zinc/90/44/41/1047904441.db2.gz CYGPDNXFTICHHN-UHFFFAOYSA-N 1 0 320.440 4.096 20 30 DIEDRO Cc1ccc(OC(C)C)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159721851 1047908875 /nfs/dbraw/zinc/90/88/75/1047908875.db2.gz JVKZPDMGBUVZOJ-UHFFFAOYSA-N 1 0 321.424 4.084 20 30 DIEDRO N#CC1(c2ccc(Nc3cccc(C4CC[NH2+]CC4)c3)cc2)CC1 ZINC001159756679 1047915837 /nfs/dbraw/zinc/91/58/37/1047915837.db2.gz COOQWJOQBFGRKH-UHFFFAOYSA-N 1 0 317.436 4.452 20 30 DIEDRO C=CCCCCC[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC001198059170 1047920682 /nfs/dbraw/zinc/92/06/82/1047920682.db2.gz GJIXZRZADYLRHS-OAHLLOKOSA-N 1 0 301.352 4.075 20 30 DIEDRO C#CCC1([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CCC1 ZINC001198033445 1047921908 /nfs/dbraw/zinc/92/19/08/1047921908.db2.gz HLGXALMREZKQGA-UHFFFAOYSA-N 1 0 314.429 4.069 20 30 DIEDRO C=CCCCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000479545609 1047923131 /nfs/dbraw/zinc/92/31/31/1047923131.db2.gz PGAMJZQDQNHNIW-INIZCTEOSA-N 1 0 300.446 4.213 20 30 DIEDRO C#CCC1([NH2+]Cc2nc3cc(Cl)ccc3n2C)CCCCC1 ZINC001198084407 1047923665 /nfs/dbraw/zinc/92/36/65/1047923665.db2.gz HSKUCLOOUQCBOF-UHFFFAOYSA-N 1 0 315.848 4.043 20 30 DIEDRO C#CCC1([NH2+]CC(=O)Nc2cccc3ccccc32)CCCCC1 ZINC001198085490 1047924379 /nfs/dbraw/zinc/92/43/79/1047924379.db2.gz UWFKVGQAZGCDCK-UHFFFAOYSA-N 1 0 320.436 4.094 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc2c([nH]c1=O)CCCC2 ZINC001183428895 1047927380 /nfs/dbraw/zinc/92/73/80/1047927380.db2.gz MKXATFVQGUOFMV-OAHLLOKOSA-N 1 0 302.462 4.281 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001183442762 1047928450 /nfs/dbraw/zinc/92/84/50/1047928450.db2.gz FZAZGSHMANWPQY-WOJBJXKFSA-N 1 0 300.490 4.294 20 30 DIEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001198195206 1047935373 /nfs/dbraw/zinc/93/53/73/1047935373.db2.gz SYKANFVEISURNY-MRXNPFEDSA-N 1 0 322.493 4.112 20 30 DIEDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC001198281017 1047942036 /nfs/dbraw/zinc/94/20/36/1047942036.db2.gz ZXVGANRLPAUUGV-SFHVURJKSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000479619910 1047944350 /nfs/dbraw/zinc/94/43/50/1047944350.db2.gz ZQNNDXMLQZFXMR-SSDOTTSWSA-N 1 0 303.221 4.133 20 30 DIEDRO COc1ccc2c(cc[nH+]c2N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001159914209 1047949315 /nfs/dbraw/zinc/94/93/15/1047949315.db2.gz IONGOMCDFWRPNT-LJQANCHMSA-N 1 0 315.376 4.214 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc(OC)ccc1Br ZINC001198414256 1047954225 /nfs/dbraw/zinc/95/42/25/1047954225.db2.gz JOKMRSJSDKKFTC-AWEZNQCLSA-N 1 0 324.262 4.388 20 30 DIEDRO CC[NH2+]Cc1cccc(Nc2ccc(C(F)(F)F)cc2C#N)c1 ZINC001159956658 1047959099 /nfs/dbraw/zinc/95/90/99/1047959099.db2.gz PAFSDDWPDCELFP-UHFFFAOYSA-N 1 0 319.330 4.430 20 30 DIEDRO C#CCCCCCC[NH2+]CCc1cccc(Br)c1C ZINC001183755308 1047964673 /nfs/dbraw/zinc/96/46/73/1047964673.db2.gz PPTPLEQAHXGXGD-UHFFFAOYSA-N 1 0 322.290 4.473 20 30 DIEDRO C#C[C@@H]1CCCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC001198527245 1047968706 /nfs/dbraw/zinc/96/87/06/1047968706.db2.gz ZZLVHVRXHKRMNI-HXUWFJFHSA-N 1 0 305.421 4.253 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)c1cccc(C#N)c1 ZINC001183802951 1047969019 /nfs/dbraw/zinc/96/90/19/1047969019.db2.gz YNAHEZAYKIOZLK-CHWSQXEVSA-N 1 0 300.352 4.291 20 30 DIEDRO C#C[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2F)cc1 ZINC001198525505 1047968910 /nfs/dbraw/zinc/96/89/10/1047968910.db2.gz NCSHNLFFVBWTGJ-IBGZPJMESA-N 1 0 323.411 4.392 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC001198508967 1047970161 /nfs/dbraw/zinc/97/01/61/1047970161.db2.gz XBWLSKSYDJDDGN-VFNWGFHPSA-N 1 0 316.404 4.096 20 30 DIEDRO Cc1cc(C#N)cc(Nc2ccc(CC3CC[NH2+]CC3)cc2)c1 ZINC001160014669 1047970167 /nfs/dbraw/zinc/97/01/67/1047970167.db2.gz HEVHBBAAZYHCSW-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO N#CC1(c2ccc(Nc3ccccc3C3=CC[NH2+]CC3)cc2)CC1 ZINC001160023316 1047971663 /nfs/dbraw/zinc/97/16/63/1047971663.db2.gz LBMFSCJRCXRFIP-UHFFFAOYSA-N 1 0 315.420 4.362 20 30 DIEDRO N#Cc1cc(Nc2ccccc2C2=CC[NH2+]CC2)ccc1Cl ZINC001160021483 1047971708 /nfs/dbraw/zinc/97/17/08/1047971708.db2.gz AGEGCSQBNVQGSL-UHFFFAOYSA-N 1 0 309.800 4.332 20 30 DIEDRO C#CCC1([NH2+]Cc2nc3ccc(Cl)cc3n2C)CCCCC1 ZINC001183972240 1047987617 /nfs/dbraw/zinc/98/76/17/1047987617.db2.gz PFKHIMBQELTOOK-UHFFFAOYSA-N 1 0 315.848 4.043 20 30 DIEDRO C=C(C)/[NH+]=c1\ccc2nc3c(cc(N)c4ccccc43)oc-2c1 ZINC001174795367 1047987815 /nfs/dbraw/zinc/98/78/15/1047987815.db2.gz SWEKLRXPWDDFNZ-CIAFOILYSA-N 1 0 301.349 4.102 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cc(N2CCCC2)cc[nH+]1 ZINC001160181357 1047989448 /nfs/dbraw/zinc/98/94/48/1047989448.db2.gz REWCIWAHEQYGHK-MRXNPFEDSA-N 1 0 323.440 4.420 20 30 DIEDRO CC[C@H](C[N@H+](CC)C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775886993 1047990825 /nfs/dbraw/zinc/99/08/25/1047990825.db2.gz UDRDPPFATCOVRH-NQIIRXRSSA-N 1 0 322.452 4.107 20 30 DIEDRO CC[C@@H](C[N@H+](CC)C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775886992 1047991936 /nfs/dbraw/zinc/99/19/36/1047991936.db2.gz UDRDPPFATCOVRH-GHTZIAJQSA-N 1 0 322.452 4.107 20 30 DIEDRO CC(C)(C#N)CC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000554053365 1047997569 /nfs/dbraw/zinc/99/75/69/1047997569.db2.gz LYRHKUYHXWDMKF-UHFFFAOYSA-N 1 0 312.457 4.306 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001198707029 1047998679 /nfs/dbraw/zinc/99/86/79/1047998679.db2.gz QUVIKAQLMMNSRT-GOSISDBHSA-N 1 0 300.446 4.170 20 30 DIEDRO Cc1cc(C#N)cc(Nc2ccc(OC3CC[NH2+]CC3)c(C)c2)c1 ZINC001160226713 1048004806 /nfs/dbraw/zinc/00/48/06/1048004806.db2.gz ABNIQBWQQCFBRW-UHFFFAOYSA-N 1 0 321.424 4.050 20 30 DIEDRO Cc1ccc(Nc2ccc(OC3CC[NH2+]CC3)c(C)c2)c(C#N)c1 ZINC001160226973 1048005350 /nfs/dbraw/zinc/00/53/50/1048005350.db2.gz IYPBASVOODFERZ-UHFFFAOYSA-N 1 0 321.424 4.050 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccc(C#N)cc1 ZINC000927124930 1048005824 /nfs/dbraw/zinc/00/58/24/1048005824.db2.gz ONHSCOBPUQGDOT-SFHVURJKSA-N 1 0 324.424 4.125 20 30 DIEDRO C=CCCCCC[NH2+][C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001198873219 1048017053 /nfs/dbraw/zinc/01/70/53/1048017053.db2.gz ZQKWEDZCQUFCJJ-APWZRJJASA-N 1 0 322.493 4.255 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC001184326326 1048030423 /nfs/dbraw/zinc/03/04/23/1048030423.db2.gz CYZPJDIYAZYICL-XJKSGUPXSA-N 1 0 310.869 4.205 20 30 DIEDRO C#CC[N@@H+](Cc1cc(-c2ccncc2)ccc1OC)C1CCCC1 ZINC000775929874 1048031529 /nfs/dbraw/zinc/03/15/29/1048031529.db2.gz OHPIAJBDKGPYGA-UHFFFAOYSA-N 1 0 320.436 4.135 20 30 DIEDRO Cc1ccc2c(cccc2Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001160329480 1048034182 /nfs/dbraw/zinc/03/41/82/1048034182.db2.gz TXHYFJLIQOSNED-UHFFFAOYSA-N 1 0 313.404 4.450 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC001199076903 1048034602 /nfs/dbraw/zinc/03/46/02/1048034602.db2.gz AQHJKIZQDKJPDN-QWRGUYRKSA-N 1 0 300.265 4.345 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC001199085405 1048035578 /nfs/dbraw/zinc/03/55/78/1048035578.db2.gz JWWLLZSOFXQHOW-UHFFFAOYSA-N 1 0 319.351 4.143 20 30 DIEDRO C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001199286814 1048052546 /nfs/dbraw/zinc/05/25/46/1048052546.db2.gz VADCNIXWMFJHPV-QFBILLFUSA-N 1 0 314.473 4.173 20 30 DIEDRO C[C@@H](C[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)CO)c1ccccc1 ZINC000554279663 1048054271 /nfs/dbraw/zinc/05/42/71/1048054271.db2.gz QBDZGQPJBOMEOY-ROUUACIJSA-N 1 0 316.489 4.193 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001199352090 1048055853 /nfs/dbraw/zinc/05/58/53/1048055853.db2.gz QVKKUVJHLISXFR-UHFFFAOYSA-N 1 0 319.493 4.360 20 30 DIEDRO CCCCCCC[NH+]1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC001175024366 1048076599 /nfs/dbraw/zinc/07/65/99/1048076599.db2.gz CZCPBWJCUHLFMQ-UHFFFAOYSA-N 1 0 316.489 4.160 20 30 DIEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001174983556 1048080553 /nfs/dbraw/zinc/08/05/53/1048080553.db2.gz JBRLJMFNHRKTON-AEFFLSMTSA-N 1 0 311.473 4.261 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1(C#N)CC1 ZINC000776012080 1048088279 /nfs/dbraw/zinc/08/82/79/1048088279.db2.gz YBUGJZVTPYIQGU-INIZCTEOSA-N 1 0 306.409 4.259 20 30 DIEDRO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001175060824 1048088657 /nfs/dbraw/zinc/08/86/57/1048088657.db2.gz CXOUYACIWSLHGA-HXUWFJFHSA-N 1 0 322.839 4.452 20 30 DIEDRO CCCCC[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000776022506 1048098134 /nfs/dbraw/zinc/09/81/34/1048098134.db2.gz DLLWHZQKXVONKE-MSOLQXFVSA-N 1 0 302.462 4.176 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC001199841485 1048107646 /nfs/dbraw/zinc/10/76/46/1048107646.db2.gz BQBQPFNPWOEEJQ-UHFFFAOYSA-N 1 0 316.807 4.418 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cn1)C(C)C ZINC000480271256 1048107710 /nfs/dbraw/zinc/10/77/10/1048107710.db2.gz YSBYDAPHYBLRPX-QAPCUYQASA-N 1 0 321.896 4.084 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000554551561 1048128072 /nfs/dbraw/zinc/12/80/72/1048128072.db2.gz ZFLCKGBHFQKCIC-MRXNPFEDSA-N 1 0 313.470 4.125 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]CCCOc2ccc(C#N)cc2)cc1 ZINC000774833821 1048133248 /nfs/dbraw/zinc/13/32/48/1048133248.db2.gz DVLZUXKUSHEINT-MRXNPFEDSA-N 1 0 324.424 4.077 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1OC ZINC000480501395 1048159397 /nfs/dbraw/zinc/15/93/97/1048159397.db2.gz SNHGRJRQPLXBLJ-UHFFFAOYSA-N 1 0 323.436 4.427 20 30 DIEDRO N#C[C@@H](Nc1ccc(F)c(C[NH+]2CCCC2)c1)c1ccccc1 ZINC001161724527 1048162275 /nfs/dbraw/zinc/16/22/75/1048162275.db2.gz ALUNFLULMKPIQB-LJQANCHMSA-N 1 0 309.388 4.098 20 30 DIEDRO N#C[C@@H](Nc1ccc(SC2CC[NH2+]CC2)cc1)c1ccccc1 ZINC001161726274 1048162431 /nfs/dbraw/zinc/16/24/31/1048162431.db2.gz ZIBPYGHUCGUPQB-LJQANCHMSA-N 1 0 323.465 4.207 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000554719757 1048165969 /nfs/dbraw/zinc/16/59/69/1048165969.db2.gz KFFGGFUPTSXZKO-MOPGFXCFSA-N 1 0 324.399 4.117 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(Cl)c(F)c3)sc2C1 ZINC001175204808 1048176388 /nfs/dbraw/zinc/17/63/88/1048176388.db2.gz WLEFXGSHJILKFV-UHFFFAOYSA-N 1 0 321.808 4.144 20 30 DIEDRO C=C(C)CC[NH2+]C(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000554783207 1048185326 /nfs/dbraw/zinc/18/53/26/1048185326.db2.gz HILZPLSFKHENHL-UHFFFAOYSA-N 1 0 311.425 4.349 20 30 DIEDRO C[C@@H]([NH2+]CCSc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000554848399 1048207358 /nfs/dbraw/zinc/20/73/58/1048207358.db2.gz JJJRLOIYMCGLAY-CYBMUJFWSA-N 1 0 300.402 4.140 20 30 DIEDRO N#CCCc1ccc(N(CC[NH3+])c2cccc3ccccc32)cc1 ZINC001162005258 1048211387 /nfs/dbraw/zinc/21/13/87/1048211387.db2.gz BYRZXTXEDUJRDV-UHFFFAOYSA-N 1 0 315.420 4.393 20 30 DIEDRO N#CCc1cc(F)cc(N(CC[NH3+])c2cccc3ccccc32)c1 ZINC001162006566 1048214038 /nfs/dbraw/zinc/21/40/38/1048214038.db2.gz DJHMTXFXOUDIDH-UHFFFAOYSA-N 1 0 319.383 4.142 20 30 DIEDRO C[C@H]([NH2+]CCCCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000776153837 1048231900 /nfs/dbraw/zinc/23/19/00/1048231900.db2.gz GMDVGFOJYJIDBB-KRWDZBQOSA-N 1 0 308.425 4.262 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc(OCC#N)cc1 ZINC000776155147 1048237784 /nfs/dbraw/zinc/23/77/84/1048237784.db2.gz ZPVSNAWSYMQKIF-FZKQIMNGSA-N 1 0 312.438 4.452 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@H](OCCCC)C1(C)C)c1ccncc1 ZINC000776157144 1048243785 /nfs/dbraw/zinc/24/37/85/1048243785.db2.gz OJFNJXFUQPEWOA-BZSNNMDCSA-N 1 0 302.462 4.272 20 30 DIEDRO Cc1ccc(C(=O)CC[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000480776384 1048244806 /nfs/dbraw/zinc/24/48/06/1048244806.db2.gz RAKJXHRHUMMJJX-UHFFFAOYSA-N 1 0 320.436 4.350 20 30 DIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000554982557 1048247754 /nfs/dbraw/zinc/24/77/54/1048247754.db2.gz PDHSONLQIZKZOU-GBLZOACLSA-N 1 0 324.399 4.050 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000776162972 1048251396 /nfs/dbraw/zinc/25/13/96/1048251396.db2.gz LCDPPCGKGRKRJC-MGPUTAFESA-N 1 0 322.452 4.240 20 30 DIEDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776163496 1048251662 /nfs/dbraw/zinc/25/16/62/1048251662.db2.gz CAFYEZFHABJKRZ-AVYPCKFXSA-N 1 0 306.409 4.173 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC001201407066 1048252898 /nfs/dbraw/zinc/25/28/98/1048252898.db2.gz JBUWIWXJKLOJJS-INIZCTEOSA-N 1 0 311.425 4.328 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](OC)c1ccccc1 ZINC000555012499 1048252985 /nfs/dbraw/zinc/25/29/85/1048252985.db2.gz DRBVZJFWOLDIJU-FQEVSTJZSA-N 1 0 308.425 4.158 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC001201408190 1048253431 /nfs/dbraw/zinc/25/34/31/1048253431.db2.gz SKIFIEPIXKBYEZ-MRVPVSSYSA-N 1 0 308.141 4.132 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000776164512 1048253535 /nfs/dbraw/zinc/25/35/35/1048253535.db2.gz IXHUJFLLAPKLEE-IAGOWNOFSA-N 1 0 320.436 4.045 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccc(F)c1 ZINC000776161475 1048258163 /nfs/dbraw/zinc/25/81/63/1048258163.db2.gz XKTLEDMKTIDIPL-CABCVRRESA-N 1 0 312.388 4.182 20 30 DIEDRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C#N)cc3)C2)cc1 ZINC000776162733 1048259130 /nfs/dbraw/zinc/25/91/30/1048259130.db2.gz JXKIJQBZFAEEKY-PXNSSMCTSA-N 1 0 319.452 4.186 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000776165310 1048261109 /nfs/dbraw/zinc/26/11/09/1048261109.db2.gz ZUFOEWFSZNSNCO-QRWLVFNGSA-N 1 0 322.452 4.240 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC001175332965 1048267638 /nfs/dbraw/zinc/26/76/38/1048267638.db2.gz LERZTDRJDKVDRN-MSOLQXFVSA-N 1 0 305.849 4.343 20 30 DIEDRO CC(C)[PH+](CCNc1ncnc2ccc(C#N)cc21)C(C)C ZINC001162359064 1048268463 /nfs/dbraw/zinc/26/84/63/1048268463.db2.gz VLAOKKQSCANSGU-UHFFFAOYSA-N 1 0 314.373 4.212 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(Cc2cncs2)CC1 ZINC001175398132 1048271712 /nfs/dbraw/zinc/27/17/12/1048271712.db2.gz ABPQUKIOYYVAEJ-UHFFFAOYSA-N 1 0 309.523 4.011 20 30 DIEDRO CNc1ccc(C#N)cc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175363596 1048278217 /nfs/dbraw/zinc/27/82/17/1048278217.db2.gz KHPKVMJENMHXLS-UHFFFAOYSA-N 1 0 320.440 4.329 20 30 DIEDRO N#Cc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC001175365816 1048279620 /nfs/dbraw/zinc/27/96/20/1048279620.db2.gz DANUQXKNGKSZPY-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO N#Cc1cccc(C#N)c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175365787 1048280350 /nfs/dbraw/zinc/28/03/50/1048280350.db2.gz BVGBYVSQZVWGBM-UHFFFAOYSA-N 1 0 316.408 4.159 20 30 DIEDRO N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC001201475121 1048294922 /nfs/dbraw/zinc/29/49/22/1048294922.db2.gz SKSKNLZLHRXHQX-MSOLQXFVSA-N 1 0 321.449 4.352 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(Cc3ccccc3Cl)CC2)C1 ZINC001175436077 1048306387 /nfs/dbraw/zinc/30/63/87/1048306387.db2.gz DRLMLIBFYJUYFN-DOTOQJQBSA-N 1 0 302.849 4.287 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1 ZINC001201558698 1048317399 /nfs/dbraw/zinc/31/73/99/1048317399.db2.gz UPMZXZOCRAWJTL-FQEVSTJZSA-N 1 0 309.457 4.480 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000775032593 1048318345 /nfs/dbraw/zinc/31/83/45/1048318345.db2.gz PAHJJTNYAFQCJB-KRWDZBQOSA-N 1 0 323.436 4.338 20 30 DIEDRO N#Cc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)c(F)c1 ZINC001201569693 1048320855 /nfs/dbraw/zinc/32/08/55/1048320855.db2.gz NIUNGWRVOVLBES-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO N#Cc1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c(F)c1 ZINC001201569405 1048321623 /nfs/dbraw/zinc/32/16/23/1048321623.db2.gz CNSDMGUIQRCEKH-UHFFFAOYSA-N 1 0 309.388 4.079 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCN(CCCOC)CC1 ZINC001201631128 1048327447 /nfs/dbraw/zinc/32/74/47/1048327447.db2.gz MEJDTNICZLUXTA-UHFFFAOYSA-N 1 0 312.542 4.171 20 30 DIEDRO N#Cc1cccc(O[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC001201673395 1048341018 /nfs/dbraw/zinc/34/10/18/1048341018.db2.gz IKDPAYZEKIIIFY-NRFANRHFSA-N 1 0 320.436 4.034 20 30 DIEDRO C=C(C)C[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000481240755 1048341484 /nfs/dbraw/zinc/34/14/84/1048341484.db2.gz SQEORCFTHIHSMF-UHFFFAOYSA-N 1 0 324.424 4.315 20 30 DIEDRO N#Cc1cccc(O[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC001201673396 1048342059 /nfs/dbraw/zinc/34/20/59/1048342059.db2.gz IKDPAYZEKIIIFY-OAQYLSRUSA-N 1 0 320.436 4.034 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ccncc2C)cc1 ZINC001162723640 1048343320 /nfs/dbraw/zinc/34/33/20/1048343320.db2.gz WDVSUXXDGBTGDE-HXUWFJFHSA-N 1 0 307.441 4.325 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC001201663218 1048345011 /nfs/dbraw/zinc/34/50/11/1048345011.db2.gz BFSRZDJLQGKOJK-UHFFFAOYSA-N 1 0 318.464 4.446 20 30 DIEDRO Cc1cc(C#N)cc(NC2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001175506926 1048346052 /nfs/dbraw/zinc/34/60/52/1048346052.db2.gz JVHLTHBNLKLSAS-UHFFFAOYSA-N 1 0 303.409 4.068 20 30 DIEDRO C#Cc1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc1F ZINC001175507272 1048346739 /nfs/dbraw/zinc/34/67/39/1048346739.db2.gz OJGSTIYMYYGSGI-UHFFFAOYSA-N 1 0 306.384 4.009 20 30 DIEDRO C=C(C)CCc1ccccc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162809785 1048363305 /nfs/dbraw/zinc/36/33/05/1048363305.db2.gz JQEVSMBJPJQYLC-UHFFFAOYSA-N 1 0 306.453 4.453 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccc3[nH]ccc3c2)C2CC2)cc1 ZINC000600112612 1048363823 /nfs/dbraw/zinc/36/38/23/1048363823.db2.gz SHOPBMYPTCZAJR-UHFFFAOYSA-N 1 0 301.393 4.204 20 30 DIEDRO N#CC1CCC(C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000600159834 1048375789 /nfs/dbraw/zinc/37/57/89/1048375789.db2.gz YLZWPGGVCXLVKW-UHFFFAOYSA-N 1 0 310.363 4.167 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CCOC[C@H]2COCC)CC1 ZINC001201776745 1048377663 /nfs/dbraw/zinc/37/76/63/1048377663.db2.gz JUKUVQXIMWHTSA-GOSISDBHSA-N 1 0 311.510 4.112 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncc(C#N)c3ccccc32)c1 ZINC001162900558 1048381067 /nfs/dbraw/zinc/38/10/67/1048381067.db2.gz YNOMUORSXDMYRK-CYBMUJFWSA-N 1 0 312.376 4.070 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001201852734 1048381234 /nfs/dbraw/zinc/38/12/34/1048381234.db2.gz IKXMXAGHPDPYLH-UHFFFAOYSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCCCN1Cc2cnn(C3CCOCC3)c2C1 ZINC001201852874 1048382120 /nfs/dbraw/zinc/38/21/20/1048382120.db2.gz PWDGOHAHZJBIBA-UHFFFAOYSA-N 1 0 319.493 4.301 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001201826016 1048382929 /nfs/dbraw/zinc/38/29/29/1048382929.db2.gz KUPYMKFSCHHRJP-INIZCTEOSA-N 1 0 312.498 4.194 20 30 DIEDRO C=C(C)CC[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001175632212 1048382979 /nfs/dbraw/zinc/38/29/79/1048382979.db2.gz YZZMOMPLIKCYJO-IBGZPJMESA-N 1 0 324.509 4.216 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000481371817 1048384886 /nfs/dbraw/zinc/38/48/86/1048384886.db2.gz FGCDPNTUQODYCI-UGSOOPFHSA-N 1 0 314.816 4.077 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001201846893 1048389465 /nfs/dbraw/zinc/38/94/65/1048389465.db2.gz OTNABNTYPPTUNY-OALUTQOASA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(F)(C(=O)OCC)CC1 ZINC001201847635 1048390316 /nfs/dbraw/zinc/39/03/16/1048390316.db2.gz XSTAWDLHRZOHAN-UHFFFAOYSA-N 1 0 301.446 4.104 20 30 DIEDRO Cn1cc(C[NH2+][C@H]2CCCC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001201954889 1048409139 /nfs/dbraw/zinc/40/91/39/1048409139.db2.gz WWYYININBKNPGG-SFHVURJKSA-N 1 0 322.456 4.017 20 30 DIEDRO CCC(CC)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775130257 1048413190 /nfs/dbraw/zinc/41/31/90/1048413190.db2.gz NSAWSAYQWOVYHZ-SFTDATJTSA-N 1 0 322.452 4.359 20 30 DIEDRO Cc1cnc(C)c(Nc2cccc(C#N)c2Br)c1 ZINC001203667179 1048432443 /nfs/dbraw/zinc/43/24/43/1048432443.db2.gz KVRZKAQTZNRLNV-UHFFFAOYSA-N 1 0 302.175 4.076 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCCc1ccncc1)c1ccc(F)c(F)c1 ZINC000481613503 1048439509 /nfs/dbraw/zinc/43/95/09/1048439509.db2.gz VYHYBCDNEJKVMP-SFHVURJKSA-N 1 0 302.368 4.199 20 30 DIEDRO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC001175799704 1048439798 /nfs/dbraw/zinc/43/97/98/1048439798.db2.gz NFWSOGFRPOVTIY-UHFFFAOYSA-N 1 0 321.424 4.167 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@H]2C)cc1OC ZINC001202136300 1048461002 /nfs/dbraw/zinc/46/10/02/1048461002.db2.gz YBZPPGWMPLLBGS-ZFWWWQNUSA-N 1 0 323.864 4.439 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)C1 ZINC001202111101 1048465387 /nfs/dbraw/zinc/46/53/87/1048465387.db2.gz MDGKLGVDLUDXAG-JSGCOSHPSA-N 1 0 303.837 4.061 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](CC)CC=C)cc1OC ZINC001202183517 1048473376 /nfs/dbraw/zinc/47/33/76/1048473376.db2.gz GLLAAIYADSFILE-AWEZNQCLSA-N 1 0 309.837 4.358 20 30 DIEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1nccc2c(C)cccc21 ZINC001163471694 1048474070 /nfs/dbraw/zinc/47/40/70/1048474070.db2.gz DAGLODIGBODSFB-UHFFFAOYSA-N 1 0 318.424 4.032 20 30 DIEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@H]1C ZINC001202204340 1048480627 /nfs/dbraw/zinc/48/06/27/1048480627.db2.gz UHJRRXPFEWDBEC-ZIFCJYIRSA-N 1 0 313.489 4.198 20 30 DIEDRO Cc1ccc(C#N)c(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001163546172 1048486230 /nfs/dbraw/zinc/48/62/30/1048486230.db2.gz YFXAHYOZWYBSGN-GOSISDBHSA-N 1 0 323.465 4.018 20 30 DIEDRO C=CCC1(C(=O)N(C)CCCC[NH+]2CCCCC2)CCCCC1 ZINC001175922608 1048503055 /nfs/dbraw/zinc/50/30/55/1048503055.db2.gz COWGHVQUUNRBPC-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO CCC[C@@H](C[NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC001202288780 1048512067 /nfs/dbraw/zinc/51/20/67/1048512067.db2.gz JGCHKKFRAIPNPE-IBGZPJMESA-N 1 0 308.425 4.240 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCC2(CC2)CC1 ZINC001202289321 1048512160 /nfs/dbraw/zinc/51/21/60/1048512160.db2.gz QWZSIUSOIAKYIM-UHFFFAOYSA-N 1 0 303.833 4.164 20 30 DIEDRO Cc1c(C)n(-c2cc(C#N)cc3[nH]ccc32)c2ccc(C[NH3+])cc12 ZINC001163762111 1048521582 /nfs/dbraw/zinc/52/15/82/1048521582.db2.gz XNHKPMDVJWILBW-UHFFFAOYSA-N 1 0 314.392 4.059 20 30 DIEDRO Cc1cc2[nH]c(C[N@@H+](C)Cc3cccc(C#N)c3)cc2c(C)c1 ZINC000481929913 1048532142 /nfs/dbraw/zinc/53/21/42/1048532142.db2.gz WAGQPDYSUGWZKR-UHFFFAOYSA-N 1 0 303.409 4.288 20 30 DIEDRO N#Cc1c[nH]c2cc(NC(=[NH2+])C34CC5CC(CC(C5)C3)C4)cnc12 ZINC001163848193 1048538373 /nfs/dbraw/zinc/53/83/73/1048538373.db2.gz KYWXYOXSTYIMGR-UHFFFAOYSA-N 1 0 319.412 4.040 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ccccc2N)cc1 ZINC001163890672 1048545227 /nfs/dbraw/zinc/54/52/27/1048545227.db2.gz HYXBRSJNKAADQA-FQEVSTJZSA-N 1 0 307.441 4.204 20 30 DIEDRO N#Cc1c(-c2ccc(Cl)cc2)csc1Nc1ncc[nH]1 ZINC001176082205 1048547456 /nfs/dbraw/zinc/54/74/56/1048547456.db2.gz ZGFCHEXSBHDYAO-UHFFFAOYSA-N 1 0 300.774 4.407 20 30 DIEDRO Cc1cc(CC#N)ccc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163901465 1048547725 /nfs/dbraw/zinc/54/77/25/1048547725.db2.gz DPMNAARGRNQNFX-UHFFFAOYSA-N 1 0 309.800 4.117 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000482070976 1048552329 /nfs/dbraw/zinc/55/23/29/1048552329.db2.gz GJECYJRWUNUAHA-YLWZXWFESA-N 1 0 306.812 4.339 20 30 DIEDRO Cc1ccc2ncc(C[NH2+][C@@H](C)c3cccc(C#N)c3)cc2c1 ZINC001176051475 1048554894 /nfs/dbraw/zinc/55/48/94/1048554894.db2.gz FLRQZFDQLOZXLF-HNNXBMFYSA-N 1 0 301.393 4.266 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000775201193 1048557463 /nfs/dbraw/zinc/55/74/63/1048557463.db2.gz BPCHZJYHXLTSHR-HNNXBMFYSA-N 1 0 324.399 4.142 20 30 DIEDRO C[NH+](C)Cc1cccc(CNc2cc(Cl)ccc2CC#N)c1 ZINC001163998897 1048567305 /nfs/dbraw/zinc/56/73/05/1048567305.db2.gz YIEUMFSIKCALGE-UHFFFAOYSA-N 1 0 313.832 4.080 20 30 DIEDRO CC[C@](C)([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000107717470 1048591661 /nfs/dbraw/zinc/59/16/61/1048591661.db2.gz HBICEXIZCIFVOV-UZLBHIALSA-N 1 0 308.425 4.392 20 30 DIEDRO CCC[N@H+](CCOCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000338923582 1048592911 /nfs/dbraw/zinc/59/29/11/1048592911.db2.gz CXMPHUHIHDYVAP-HNNXBMFYSA-N 1 0 300.402 4.136 20 30 DIEDRO N#Cc1c(F)cc(Nc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC001176197161 1048593394 /nfs/dbraw/zinc/59/33/94/1048593394.db2.gz CQYWVAOPRVIMEA-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000159856254 1048602059 /nfs/dbraw/zinc/60/20/59/1048602059.db2.gz ZNJVCEWJRVKWBJ-UHFFFAOYSA-N 1 0 324.424 4.010 20 30 DIEDRO N#Cc1c(F)ccc(Nc2cccc(C[NH+]3CCCC3)c2)c1F ZINC001176199327 1048616169 /nfs/dbraw/zinc/61/61/69/1048616169.db2.gz SKXOYOAWCZNYKC-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccncc1 ZINC000850137620 1048617985 /nfs/dbraw/zinc/61/79/85/1048617985.db2.gz QXQKLOCGWGBUSS-IBGZPJMESA-N 1 0 303.409 4.044 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2cc(C#N)cc(C(F)(F)F)c2)cc1 ZINC001176293082 1048621747 /nfs/dbraw/zinc/62/17/47/1048621747.db2.gz GDSWCNRSJPERKT-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[NH+](C)Cc1ccc(NCc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000850218963 1048624177 /nfs/dbraw/zinc/62/41/77/1048624177.db2.gz CLUQNMNETYOHTK-UHFFFAOYSA-N 1 0 323.415 4.055 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000850252752 1048628110 /nfs/dbraw/zinc/62/81/10/1048628110.db2.gz VYPFEWCOBGAOAJ-MRXNPFEDSA-N 1 0 319.452 4.159 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCC[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000850338923 1048634111 /nfs/dbraw/zinc/63/41/11/1048634111.db2.gz LXAWYGFEPRRMFC-OAHLLOKOSA-N 1 0 323.267 4.305 20 30 DIEDRO C=CCCC1(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CCCC1 ZINC000850351994 1048635361 /nfs/dbraw/zinc/63/53/61/1048635361.db2.gz KYUCMZTVBBTDGF-KGLIPLIRSA-N 1 0 305.384 4.213 20 30 DIEDRO C=CCCC1(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CCCC1 ZINC000850351996 1048635408 /nfs/dbraw/zinc/63/54/08/1048635408.db2.gz KYUCMZTVBBTDGF-UONOGXRCSA-N 1 0 305.384 4.213 20 30 DIEDRO Cc1cc[nH+]c(NCc2ccc(O[C@@H](C)C#N)cc2)c1C1CC1 ZINC000850361779 1048638105 /nfs/dbraw/zinc/63/81/05/1048638105.db2.gz DUEGHZFKWVPMOU-AWEZNQCLSA-N 1 0 307.397 4.170 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775274550 1048647002 /nfs/dbraw/zinc/64/70/02/1048647002.db2.gz OTJLEZXKRPHARK-JKSUJKDBSA-N 1 0 300.446 4.209 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](CC(C)C)c2ccccc2C)CC1 ZINC000482629395 1048648225 /nfs/dbraw/zinc/64/82/25/1048648225.db2.gz MWCUEXGXYJNAML-FQEVSTJZSA-N 1 0 300.490 4.322 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000482627031 1048648843 /nfs/dbraw/zinc/64/88/43/1048648843.db2.gz GORRUKKINYUFBN-GOSISDBHSA-N 1 0 300.490 4.303 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000482627032 1048649225 /nfs/dbraw/zinc/64/92/25/1048649225.db2.gz GORRUKKINYUFBN-SFHVURJKSA-N 1 0 300.490 4.303 20 30 DIEDRO Cc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000850411981 1048649773 /nfs/dbraw/zinc/64/97/73/1048649773.db2.gz QHDBYPBNQKDIMJ-HRAATJIYSA-N 1 0 320.436 4.453 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)CC1 ZINC000482635889 1048653973 /nfs/dbraw/zinc/65/39/73/1048653973.db2.gz UWJHTLNYUSHOTJ-LBPRGKRZSA-N 1 0 313.272 4.294 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccncc1 ZINC000850435262 1048656456 /nfs/dbraw/zinc/65/64/56/1048656456.db2.gz KQBDRORIPCPFBO-HNAYVOBHSA-N 1 0 308.425 4.375 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)c1ccccc1 ZINC000850447793 1048660149 /nfs/dbraw/zinc/66/01/49/1048660149.db2.gz JTZJPWNEFHJGSO-UZLBHIALSA-N 1 0 305.421 4.427 20 30 DIEDRO C=C(C)CN(CC)c1ccc([C@@H]2CCCC[N@H+]2CCC)cn1 ZINC001165140866 1048661160 /nfs/dbraw/zinc/66/11/60/1048661160.db2.gz CTUFMMUOKVIXFJ-SFHVURJKSA-N 1 0 301.478 4.421 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc2c(c1)CCCC2 ZINC000850463573 1048666127 /nfs/dbraw/zinc/66/61/27/1048666127.db2.gz WCMAREXGZOXEEV-NRFANRHFSA-N 1 0 319.452 4.319 20 30 DIEDRO C#CCC1([NH2+]Cc2cccc(OC(F)(F)F)c2)CCCCC1 ZINC001176433917 1048670451 /nfs/dbraw/zinc/67/04/51/1048670451.db2.gz YHSCOWIGLYFGEL-UHFFFAOYSA-N 1 0 311.347 4.401 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000850502910 1048673522 /nfs/dbraw/zinc/67/35/22/1048673522.db2.gz WLLJXEAUPWSGGW-SFHVURJKSA-N 1 0 305.487 4.053 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850524765 1048679316 /nfs/dbraw/zinc/67/93/16/1048679316.db2.gz DGEOOMAHIYUJSD-PCCBWWKXSA-N 1 0 318.420 4.094 20 30 DIEDRO C#CC[N@@H+](CCc1ncc(C)cc1C)[C@@H]1CCCc2ccccc21 ZINC001176453387 1048687469 /nfs/dbraw/zinc/68/74/69/1048687469.db2.gz SXFVVAFAGJSIOD-JOCHJYFZSA-N 1 0 318.464 4.254 20 30 DIEDRO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)c2c1c(F)ccc2O ZINC000850549595 1048688801 /nfs/dbraw/zinc/68/88/01/1048688801.db2.gz HMLUIKUTTUKCCH-JSGCOSHPSA-N 1 0 302.393 4.143 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCCc2ccncc2)cc1 ZINC001165585087 1048700900 /nfs/dbraw/zinc/70/09/00/1048700900.db2.gz VNKAZUCNIVMGTL-OAQYLSRUSA-N 1 0 321.468 4.449 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775361711 1048704324 /nfs/dbraw/zinc/70/43/24/1048704324.db2.gz FGMASZLIMBYMSK-QGZVFWFLSA-N 1 0 322.452 4.006 20 30 DIEDRO C=C(C)Cc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1 ZINC001190231214 1048706411 /nfs/dbraw/zinc/70/64/11/1048706411.db2.gz AFSIKAOFVBZXPE-UHFFFAOYSA-N 1 0 322.452 4.162 20 30 DIEDRO CC(C)(Nc1cccc(C2=[NH+]CCC2)c1)c1ccc(C#N)cc1 ZINC001165759517 1048714804 /nfs/dbraw/zinc/71/48/04/1048714804.db2.gz CWDZXOUMHSGHBC-UHFFFAOYSA-N 1 0 303.409 4.488 20 30 DIEDRO C=CCn1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001176548666 1048721459 /nfs/dbraw/zinc/72/14/59/1048721459.db2.gz NBHWNASIIYNJLL-UHFFFAOYSA-N 1 0 315.380 4.096 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(N(C)C)c(C)c1 ZINC001190458137 1048741472 /nfs/dbraw/zinc/74/14/72/1048741472.db2.gz XNRWHBYNMNTXJU-UHFFFAOYSA-N 1 0 324.468 4.258 20 30 DIEDRO CC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190503790 1048746501 /nfs/dbraw/zinc/74/65/01/1048746501.db2.gz XWWKXTYEMAZCRE-OAHLLOKOSA-N 1 0 311.347 4.201 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccc2ccccc2c1 ZINC000483186878 1048755157 /nfs/dbraw/zinc/75/51/57/1048755157.db2.gz WWQYHUGXCFGZOY-UHFFFAOYSA-N 1 0 303.409 4.072 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](CCOCCC#N)Cc1ccccc1 ZINC000338933201 1048755522 /nfs/dbraw/zinc/75/55/22/1048755522.db2.gz HLKHJJYAAIVPJZ-SFHVURJKSA-N 1 0 308.425 4.180 20 30 DIEDRO CC(C)[N@H+](CCCOc1cccc(C#N)c1)CCc1ccccc1 ZINC001190582156 1048758827 /nfs/dbraw/zinc/75/88/27/1048758827.db2.gz QTGSRYNCDGOERA-UHFFFAOYSA-N 1 0 322.452 4.280 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)c1cccc(C#N)c1 ZINC001190597742 1048764371 /nfs/dbraw/zinc/76/43/71/1048764371.db2.gz TVNIVSAHDUUFPS-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC001190660065 1048765889 /nfs/dbraw/zinc/76/58/89/1048765889.db2.gz ALGBQHOHPNIEOW-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC001190606180 1048767979 /nfs/dbraw/zinc/76/79/79/1048767979.db2.gz SDJMKPUQXNYTAK-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001190642300 1048768737 /nfs/dbraw/zinc/76/87/37/1048768737.db2.gz ATBMTEWFGVSYGF-INIZCTEOSA-N 1 0 301.393 4.179 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)c1ccccc1 ZINC000775403010 1048772714 /nfs/dbraw/zinc/77/27/14/1048772714.db2.gz DWLJZSMNXJURTD-CQSZACIVSA-N 1 0 305.208 4.243 20 30 DIEDRO CC[N@H+](CCOCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000338937067 1048775227 /nfs/dbraw/zinc/77/52/27/1048775227.db2.gz TXCWCEHWJASOJX-CYBMUJFWSA-N 1 0 314.351 4.019 20 30 DIEDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000483357182 1048783545 /nfs/dbraw/zinc/78/35/45/1048783545.db2.gz PBXSUUMRZJSJEH-HBMCJLEFSA-N 1 0 319.452 4.055 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cc(Br)ccc1F ZINC001190752898 1048783570 /nfs/dbraw/zinc/78/35/70/1048783570.db2.gz OXYRCUGNIGTSEV-UHFFFAOYSA-N 1 0 300.215 4.376 20 30 DIEDRO COc1ccc(C[C@H](C)[N@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC001190753207 1048784444 /nfs/dbraw/zinc/78/44/44/1048784444.db2.gz QEFKIZCSBKYVKP-KRWDZBQOSA-N 1 0 314.473 4.422 20 30 DIEDRO C=C(Cl)CN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775412836 1048786883 /nfs/dbraw/zinc/78/68/83/1048786883.db2.gz XXZLZBOMPNAIEE-HNNXBMFYSA-N 1 0 322.880 4.084 20 30 DIEDRO COCC[N@H+](CC[C@H]1CCC[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC001190801916 1048789551 /nfs/dbraw/zinc/78/95/51/1048789551.db2.gz NXYDFEYHMKQGNV-ZWKOTPCHSA-N 1 0 314.473 4.223 20 30 DIEDRO Cc1ccc(N2CCC(Cc3ccc(C#N)cc3)CC2)[nH+]c1C ZINC001166766364 1048790094 /nfs/dbraw/zinc/79/00/94/1048790094.db2.gz AJLFBVSNDPZDDK-UHFFFAOYSA-N 1 0 305.425 4.029 20 30 DIEDRO C(#C[C@@H](OCC[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC001206717968 1048790731 /nfs/dbraw/zinc/79/07/31/1048790731.db2.gz LGNBZOHXVGSPJK-JOCHJYFZSA-N 1 0 319.448 4.282 20 30 DIEDRO COc1ccc(C[N@H+](C)CCCCC2(C#N)CCC2)cc1C ZINC001190828960 1048791810 /nfs/dbraw/zinc/79/18/10/1048791810.db2.gz YANXXXAACNOKTI-UHFFFAOYSA-N 1 0 300.446 4.300 20 30 DIEDRO CCCCCCCCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000851645684 1048791878 /nfs/dbraw/zinc/79/18/78/1048791878.db2.gz MRTWBKLONXXLFD-SFHVURJKSA-N 1 0 318.461 4.037 20 30 DIEDRO N#Cc1cccc(OCCC[N@H+](CC2CC2)C2CCCCC2)c1 ZINC001190811892 1048797005 /nfs/dbraw/zinc/79/70/05/1048797005.db2.gz YUOKFDGZTYIEBD-UHFFFAOYSA-N 1 0 312.457 4.372 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001176904009 1048805695 /nfs/dbraw/zinc/80/56/95/1048805695.db2.gz MIHYKNWHMNNPPF-ROUUACIJSA-N 1 0 308.510 4.212 20 30 DIEDRO C=CC[N@@H+](C[C@H](Cc1ccccc1)OC)CC1CCCCC1 ZINC001190984571 1048810360 /nfs/dbraw/zinc/81/03/60/1048810360.db2.gz JUXHCHWUKNIWLD-FQEVSTJZSA-N 1 0 301.474 4.312 20 30 DIEDRO C=CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)CC1CCCCC1 ZINC001190984676 1048810644 /nfs/dbraw/zinc/81/06/44/1048810644.db2.gz KWOMMLZXYNSOPI-MJGOQNOKSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)CC1CCCCC1 ZINC001190984675 1048811892 /nfs/dbraw/zinc/81/18/92/1048811892.db2.gz KWOMMLZXYNSOPI-IEBWSBKVSA-N 1 0 320.521 4.092 20 30 DIEDRO N#CCc1c(F)cccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166909931 1048812858 /nfs/dbraw/zinc/81/28/58/1048812858.db2.gz KRZKEJQRAJBECY-FQEVSTJZSA-N 1 0 323.415 4.141 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)c1ccc(F)cc1 ZINC000483519603 1048813181 /nfs/dbraw/zinc/81/31/81/1048813181.db2.gz QSDVNLIUWZPLKQ-CYBMUJFWSA-N 1 0 300.352 4.420 20 30 DIEDRO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CCCCC1 ZINC001190984727 1048814987 /nfs/dbraw/zinc/81/49/87/1048814987.db2.gz LHTQBNGGFLCHHB-UHFFFAOYSA-N 1 0 318.417 4.172 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C(=O)OC)c1)CC1CCCCC1 ZINC001190985825 1048815357 /nfs/dbraw/zinc/81/53/57/1048815357.db2.gz UHUZPFTVGPSILL-UHFFFAOYSA-N 1 0 301.430 4.042 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1cccc2ccccc21 ZINC000483521279 1048815077 /nfs/dbraw/zinc/81/50/77/1048815077.db2.gz VUPKTZZYBGYTCI-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO C=CC[N@@H+](CCCN(CC)CC(F)(F)F)CC1CCCCC1 ZINC001190985517 1048815973 /nfs/dbraw/zinc/81/59/73/1048815973.db2.gz QFGOPKMSYQYCLL-UHFFFAOYSA-N 1 0 320.443 4.329 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1CCN(C)C(=O)OC(C)(C)C ZINC001177021538 1048817999 /nfs/dbraw/zinc/81/79/99/1048817999.db2.gz ASUBGBAMKTXRLS-INIZCTEOSA-N 1 0 310.482 4.064 20 30 DIEDRO C=CCCCC[N@@H+](CC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001177039103 1048821876 /nfs/dbraw/zinc/82/18/76/1048821876.db2.gz TVOJXJQOTDPOMU-MRXNPFEDSA-N 1 0 310.482 4.064 20 30 DIEDRO CC[C@@H](c1ccccc1)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328620 1048832182 /nfs/dbraw/zinc/83/21/82/1048832182.db2.gz JFNUTDAJGALXIE-AZUAARDMSA-N 1 0 305.425 4.090 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2nc(Cl)c(Cl)c(C)c2C#N)c1 ZINC001167032495 1048832520 /nfs/dbraw/zinc/83/25/20/1048832520.db2.gz CJIQUSQHOMNASH-UHFFFAOYSA-N 1 0 321.211 4.032 20 30 DIEDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000852313066 1048832738 /nfs/dbraw/zinc/83/27/38/1048832738.db2.gz XPXDRCLGZSWDBT-UXHICEINSA-N 1 0 320.436 4.046 20 30 DIEDRO Cc1cccc(C)c1C[NH2+]CCSCc1ccccc1C#N ZINC001177132172 1048835985 /nfs/dbraw/zinc/83/59/85/1048835985.db2.gz AWVQJBPXHUIMRT-UHFFFAOYSA-N 1 0 310.466 4.198 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001191068782 1048835991 /nfs/dbraw/zinc/83/59/91/1048835991.db2.gz FJYCZNKFDJITAZ-CHWSQXEVSA-N 1 0 321.262 4.331 20 30 DIEDRO Fc1ccc(C#CC[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC001191068042 1048836068 /nfs/dbraw/zinc/83/60/68/1048836068.db2.gz AJJSUQKOFZYKPS-UHFFFAOYSA-N 1 0 311.375 4.023 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cccc2ccoc21 ZINC001177133606 1048836212 /nfs/dbraw/zinc/83/62/12/1048836212.db2.gz ZYTNIPRHJOPWQR-UHFFFAOYSA-N 1 0 322.433 4.327 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001191068784 1048837480 /nfs/dbraw/zinc/83/74/80/1048837480.db2.gz FJYCZNKFDJITAZ-OLZOCXBDSA-N 1 0 321.262 4.331 20 30 DIEDRO Cc1ccc(C[N@H+](CCC#N)CC(C)(C)C)c(-c2cnn(C)c2)c1 ZINC000338944402 1048837880 /nfs/dbraw/zinc/83/78/80/1048837880.db2.gz GBEPBSNWSZGSPG-UHFFFAOYSA-N 1 0 324.472 4.157 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001177136389 1048838612 /nfs/dbraw/zinc/83/86/12/1048838612.db2.gz MWNXCGSPNDAKHP-UKRRQHHQSA-N 1 0 321.848 4.336 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001177136387 1048838640 /nfs/dbraw/zinc/83/86/40/1048838640.db2.gz MWNXCGSPNDAKHP-DZGCQCFKSA-N 1 0 321.848 4.336 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1cccc(OC(F)(F)F)c1 ZINC000776605347 1048852117 /nfs/dbraw/zinc/85/21/17/1048852117.db2.gz KOZPBGZPYZCDFO-NSHDSACASA-N 1 0 300.324 4.176 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)C1 ZINC001203276146 1048855396 /nfs/dbraw/zinc/85/53/96/1048855396.db2.gz ITPJWQQKCOHKKW-RDJZCZTQSA-N 1 0 315.457 4.476 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(SC(=O)N(C)C)c1 ZINC000852685418 1048855302 /nfs/dbraw/zinc/85/53/02/1048855302.db2.gz HLJWDWDDLZDFFC-IYBDPMFKSA-N 1 0 316.470 4.143 20 30 DIEDRO C=CC[C@]1(C(=O)Nc2ccc(Nc3ccccc3)cc2)CCC[NH2+]1 ZINC000852800733 1048861885 /nfs/dbraw/zinc/86/18/85/1048861885.db2.gz APJBBXGCEYWOHH-HXUWFJFHSA-N 1 0 321.424 4.067 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)ccc1C#N ZINC000852780148 1048862114 /nfs/dbraw/zinc/86/21/14/1048862114.db2.gz HMWUJCNQUKQFDZ-OAHLLOKOSA-N 1 0 306.409 4.043 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001191157382 1048869179 /nfs/dbraw/zinc/86/91/79/1048869179.db2.gz XSIUAQXGTZTHPH-VXKWHMMOSA-N 1 0 316.448 4.447 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](c2cccc(C)c2)C(C)C)cc1 ZINC001203339598 1048871874 /nfs/dbraw/zinc/87/18/74/1048871874.db2.gz PJNUZGUOSPZLQD-NRFANRHFSA-N 1 0 307.437 4.494 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)cc1 ZINC000853096056 1048883041 /nfs/dbraw/zinc/88/30/41/1048883041.db2.gz LSPHVOZFTGRHJL-UHFFFAOYSA-N 1 0 313.363 4.157 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000853241873 1048890209 /nfs/dbraw/zinc/89/02/09/1048890209.db2.gz UIDMQWILVHCSJM-LBPRGKRZSA-N 1 0 314.351 4.218 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC001177442964 1048895089 /nfs/dbraw/zinc/89/50/89/1048895089.db2.gz XZVKVROCXJIALQ-DZGCQCFKSA-N 1 0 324.262 4.162 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000484099797 1048898388 /nfs/dbraw/zinc/89/83/88/1048898388.db2.gz ZYGAOZPJISGMJZ-DNVCBOLYSA-N 1 0 313.828 4.057 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2)cc1OCC ZINC000484066145 1048900284 /nfs/dbraw/zinc/90/02/84/1048900284.db2.gz GWDWWTGYGQUOSG-KRWDZBQOSA-N 1 0 323.436 4.186 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC001203449766 1048903508 /nfs/dbraw/zinc/90/35/08/1048903508.db2.gz TVJSELGYWCGIDI-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC001191233275 1048905058 /nfs/dbraw/zinc/90/50/58/1048905058.db2.gz MKFKQWSAEVPYQJ-WOJBJXKFSA-N 1 0 305.425 4.111 20 30 DIEDRO Fc1ccc(C[NH2+]CCCC(F)(F)F)cc1C(F)(F)F ZINC000163459420 1048906958 /nfs/dbraw/zinc/90/69/58/1048906958.db2.gz QXLMODPRABXTTL-UHFFFAOYSA-N 1 0 303.221 4.277 20 30 DIEDRO COc1cccc2c1CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C2 ZINC001177524762 1048907124 /nfs/dbraw/zinc/90/71/24/1048907124.db2.gz IBNRRTLPECUJRZ-BEFAXECRSA-N 1 0 320.436 4.165 20 30 DIEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000111411887 1048911612 /nfs/dbraw/zinc/91/16/12/1048911612.db2.gz FVUKPTKQMXSFOT-HRAATJIYSA-N 1 0 319.452 4.060 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1cc(OC)c(OC)cc1OC ZINC001203495460 1048911574 /nfs/dbraw/zinc/91/15/74/1048911574.db2.gz RQLUPXLAHVOSGQ-UHFFFAOYSA-N 1 0 309.450 4.115 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001191266967 1048912732 /nfs/dbraw/zinc/91/27/32/1048912732.db2.gz BNJIOLZFTLQVFZ-OAQYLSRUSA-N 1 0 306.453 4.362 20 30 DIEDRO C=CCCCC[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001191288980 1048916712 /nfs/dbraw/zinc/91/67/12/1048916712.db2.gz JNDVAQWRNBCUQM-INIZCTEOSA-N 1 0 312.498 4.214 20 30 DIEDRO COc1ccc2c(Nc3cc(C#N)cn3C(C)(C)C)cc[nH+]c2c1 ZINC001203520379 1048919094 /nfs/dbraw/zinc/91/90/94/1048919094.db2.gz RJMZVYMNJOCZEB-UHFFFAOYSA-N 1 0 320.396 4.415 20 30 DIEDRO COc1ccc2c(Nc3c(F)cc(C#N)cc3F)cc[nH+]c2c1 ZINC001203525926 1048919677 /nfs/dbraw/zinc/91/96/77/1048919677.db2.gz ISNWOBDQFBOCED-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO COc1ccc2c(Nc3c(F)cc(F)cc3C#N)cc[nH+]c2c1 ZINC001203528542 1048921479 /nfs/dbraw/zinc/92/14/79/1048921479.db2.gz RBMYKKAHWRRUEX-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000484297549 1048922209 /nfs/dbraw/zinc/92/22/09/1048922209.db2.gz UVGPDGDHAPLAER-ROUUACIJSA-N 1 0 311.473 4.206 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1OC ZINC001203527133 1048922159 /nfs/dbraw/zinc/92/21/59/1048922159.db2.gz IVEMEBAHVHZTSD-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000484297547 1048922432 /nfs/dbraw/zinc/92/24/32/1048922432.db2.gz UVGPDGDHAPLAER-MSOLQXFVSA-N 1 0 311.473 4.206 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000161489634 1048935828 /nfs/dbraw/zinc/93/58/28/1048935828.db2.gz YKLDRLFOXICKIM-ZDUSSCGKSA-N 1 0 316.470 4.430 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC001203602852 1048940089 /nfs/dbraw/zinc/94/00/89/1048940089.db2.gz LJDDNSMJTXZJBS-UHFFFAOYSA-N 1 0 309.457 4.325 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(C)c(C#N)c2)c2ccccc12 ZINC001203639778 1048944755 /nfs/dbraw/zinc/94/47/55/1048944755.db2.gz RHGIKUZRZIHNQK-UHFFFAOYSA-N 1 0 316.404 4.318 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)cc1 ZINC001177924332 1048959562 /nfs/dbraw/zinc/95/95/62/1048959562.db2.gz IUTZIEPGRJALDL-SFHVURJKSA-N 1 0 324.855 4.080 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)cc1 ZINC001177924331 1048960708 /nfs/dbraw/zinc/96/07/08/1048960708.db2.gz IUTZIEPGRJALDL-GOSISDBHSA-N 1 0 324.855 4.080 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)Cc2cccs2)cc1 ZINC000776726208 1048962283 /nfs/dbraw/zinc/96/22/83/1048962283.db2.gz VUUXITAHPAZKTH-CVEARBPZSA-N 1 0 313.466 4.290 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000776727197 1048965106 /nfs/dbraw/zinc/96/51/06/1048965106.db2.gz CKZCQLBRGQLLLK-AWEZNQCLSA-N 1 0 314.429 4.281 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000776733747 1048967857 /nfs/dbraw/zinc/96/78/57/1048967857.db2.gz XYYYIIGFYAVMPA-STQMWFEESA-N 1 0 300.352 4.291 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)cc(OC)c1O ZINC001177951023 1048967729 /nfs/dbraw/zinc/96/77/29/1048967729.db2.gz YVUWNYJTWXQGSN-PBHICJAKSA-N 1 0 317.473 4.434 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000854430133 1048970258 /nfs/dbraw/zinc/97/02/58/1048970258.db2.gz DXVXWFJAXCFUMJ-KAKFPZCNSA-N 1 0 322.537 4.457 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1F)CC1CCCCC1 ZINC000484573459 1048972048 /nfs/dbraw/zinc/97/20/48/1048972048.db2.gz XSUVLBUUVKVDHS-UHFFFAOYSA-N 1 0 318.436 4.141 20 30 DIEDRO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000776739848 1048975213 /nfs/dbraw/zinc/97/52/13/1048975213.db2.gz VLVIKQDEIYAVNN-AWEZNQCLSA-N 1 0 311.404 4.004 20 30 DIEDRO Fc1ccc(C#CC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC001191646909 1048976808 /nfs/dbraw/zinc/97/68/08/1048976808.db2.gz WLSLZMWUALGCOS-OAQYLSRUSA-N 1 0 305.396 4.329 20 30 DIEDRO CCCCCCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000776747458 1048977736 /nfs/dbraw/zinc/97/77/36/1048977736.db2.gz YFWLVIQRNKHVSP-UHFFFAOYSA-N 1 0 314.473 4.379 20 30 DIEDRO CCCCCCCCCN1Cc2ccccc2C[C@H]1C(=O)OC ZINC001191656449 1048978858 /nfs/dbraw/zinc/97/88/58/1048978858.db2.gz XMLRCLABIFHPGM-IBGZPJMESA-N 1 0 317.473 4.337 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000776746690 1048978967 /nfs/dbraw/zinc/97/89/67/1048978967.db2.gz GECCKOAMLCEOPO-CYBMUJFWSA-N 1 0 311.857 4.012 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000776746917 1048979857 /nfs/dbraw/zinc/97/98/57/1048979857.db2.gz JQONREODVXPLLZ-CQSZACIVSA-N 1 0 306.450 4.275 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000776746796 1048980267 /nfs/dbraw/zinc/98/02/67/1048980267.db2.gz GECCKOAMLCEOPO-ZDUSSCGKSA-N 1 0 311.857 4.012 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001191691144 1048983616 /nfs/dbraw/zinc/98/36/16/1048983616.db2.gz LGCAGXCMAVWYMM-DLBZAZTESA-N 1 0 322.493 4.207 20 30 DIEDRO C#CCCCC[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001178166130 1048991939 /nfs/dbraw/zinc/99/19/39/1048991939.db2.gz XUFFRAQENBVNGS-UHFFFAOYSA-N 1 0 314.654 4.304 20 30 DIEDRO C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC001203764589 1048993698 /nfs/dbraw/zinc/99/36/98/1048993698.db2.gz IKJDWELUSXEPEN-UHFFFAOYSA-N 1 0 318.342 4.252 20 30 DIEDRO COc1cccc(C[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)c1 ZINC001203764163 1048993957 /nfs/dbraw/zinc/99/39/57/1048993957.db2.gz ZYVGIIKAHRPZRO-HXUWFJFHSA-N 1 0 320.436 4.022 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(Sc3ccccc3)CC2)c1 ZINC001203764277 1048994276 /nfs/dbraw/zinc/99/42/76/1048994276.db2.gz JICWZVUUGSLDMG-UHFFFAOYSA-N 1 0 308.450 4.315 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(N(C)c3ccccc3)cc2)CCC1 ZINC001203783539 1048995282 /nfs/dbraw/zinc/99/52/82/1048995282.db2.gz WBYMERVKXVLYER-UHFFFAOYSA-N 1 0 304.437 4.490 20 30 DIEDRO CC(C)(C)c1noc(Nc2ccc(C[NH+]3CCCC3)cc2)c1C#N ZINC001203785695 1048996883 /nfs/dbraw/zinc/99/68/83/1048996883.db2.gz HHDVXWQNXCSPAV-UHFFFAOYSA-N 1 0 324.428 4.183 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cc1F ZINC001203792706 1048997089 /nfs/dbraw/zinc/99/70/89/1048997089.db2.gz AATKNOOPOWEFAO-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1F ZINC001203795712 1048999606 /nfs/dbraw/zinc/99/96/06/1048999606.db2.gz OXDIJVICJKEJBL-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C#CCC1([NH2+]Cc2nc3ccc(OC)cc3s2)CCCCC1 ZINC001203809628 1049004647 /nfs/dbraw/zinc/00/46/47/1049004647.db2.gz LFHCROJVQOKGHH-UHFFFAOYSA-N 1 0 314.454 4.121 20 30 DIEDRO Cc1cc2ccccc2nc1N=NC1CC[NH+](C(C)(C)C)CC1 ZINC000776785077 1049008137 /nfs/dbraw/zinc/00/81/37/1049008137.db2.gz COEGXXIVHLPJOJ-UHFFFAOYSA-N 1 0 310.445 4.205 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC001203821529 1049010279 /nfs/dbraw/zinc/01/02/79/1049010279.db2.gz WAWXEQLRIQKLIG-KRWDZBQOSA-N 1 0 314.473 4.171 20 30 DIEDRO N#Cc1c(F)ccc(Nc2ccc(C[NH+]3CCCC3)cc2)c1F ZINC001203816968 1049010680 /nfs/dbraw/zinc/01/06/80/1049010680.db2.gz SEMDVDFDKNFUHT-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO N#Cc1c(F)cc(F)cc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203826933 1049012922 /nfs/dbraw/zinc/01/29/22/1049012922.db2.gz QKNARBPTUIWXBL-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000776794706 1049013350 /nfs/dbraw/zinc/01/33/50/1049013350.db2.gz HCXVEGHNGZZNPE-OAQYLSRUSA-N 1 0 319.452 4.270 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC001203838197 1049014427 /nfs/dbraw/zinc/01/44/27/1049014427.db2.gz QULREZJCIDXOGX-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1CCC(C)C ZINC001191919609 1049016642 /nfs/dbraw/zinc/01/66/42/1049016642.db2.gz DAIDECFGHMYEIY-SFHVURJKSA-N 1 0 300.446 4.358 20 30 DIEDRO COc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1C ZINC001203894470 1049024663 /nfs/dbraw/zinc/02/46/63/1049024663.db2.gz RZSBMTBQYCAWCW-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cc1C ZINC001203897805 1049026176 /nfs/dbraw/zinc/02/61/76/1049026176.db2.gz FDJQQJMYTWUWAT-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccccc2)C2CCSCC2)cc1 ZINC001203905919 1049026907 /nfs/dbraw/zinc/02/69/07/1049026907.db2.gz HIKBRBJZBKYNII-UHFFFAOYSA-N 1 0 322.477 4.456 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc1 ZINC001203906287 1049029032 /nfs/dbraw/zinc/02/90/32/1049029032.db2.gz MKWFMSMWXOQYSX-SFHVURJKSA-N 1 0 312.413 4.064 20 30 DIEDRO COc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001203956006 1049043184 /nfs/dbraw/zinc/04/31/84/1049043184.db2.gz AIWVJGDTNJLSFT-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C)CC2)cc1OC ZINC001178509754 1049047782 /nfs/dbraw/zinc/04/77/82/1049047782.db2.gz OLLJCDZYOXNKEX-WBVHZDCISA-N 1 0 303.446 4.318 20 30 DIEDRO CCOc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001203970877 1049048773 /nfs/dbraw/zinc/04/87/73/1049048773.db2.gz SPMHOXYVMBPEKZ-UHFFFAOYSA-N 1 0 320.436 4.337 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001151993859 1049049388 /nfs/dbraw/zinc/04/93/88/1049049388.db2.gz YWHHOKMATVUHJQ-OTWHNJEPSA-N 1 0 322.537 4.316 20 30 DIEDRO CC(C)C(C[NH2+]Cc1ccc(N(C)CCC#N)cc1)C(C)C ZINC001178519421 1049049706 /nfs/dbraw/zinc/04/97/06/1049049706.db2.gz UPOGNLLBKOCGOL-UHFFFAOYSA-N 1 0 301.478 4.054 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1 ZINC001178532625 1049051445 /nfs/dbraw/zinc/05/14/45/1049051445.db2.gz WBGWMBBWRHGQMJ-RBUKOAKNSA-N 1 0 319.489 4.285 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC001178532626 1049051813 /nfs/dbraw/zinc/05/18/13/1049051813.db2.gz WBGWMBBWRHGQMJ-RTBURBONSA-N 1 0 319.489 4.285 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1 ZINC001178532623 1049052629 /nfs/dbraw/zinc/05/26/29/1049052629.db2.gz WBGWMBBWRHGQMJ-MOPGFXCFSA-N 1 0 319.489 4.285 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)C1 ZINC001178532794 1049054533 /nfs/dbraw/zinc/05/45/33/1049054533.db2.gz YBISEZZFDXJXIS-MBOZVWFJSA-N 1 0 317.473 4.496 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)cc1OC ZINC001178594613 1049059559 /nfs/dbraw/zinc/05/95/59/1049059559.db2.gz IBNQUOCWZGCRFF-JZXOWHBKSA-N 1 0 317.473 4.422 20 30 DIEDRO Cc1ccsc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001204023539 1049064919 /nfs/dbraw/zinc/06/49/19/1049064919.db2.gz JZRILGIMEHSREB-UHFFFAOYSA-N 1 0 314.429 4.253 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2Br)C1 ZINC001178614043 1049066414 /nfs/dbraw/zinc/06/64/14/1049066414.db2.gz GFSLYYJECXJWNA-DZGCQCFKSA-N 1 0 308.263 4.326 20 30 DIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC001192234679 1049066506 /nfs/dbraw/zinc/06/65/06/1049066506.db2.gz TXAVNMISJNJJEL-UXHICEINSA-N 1 0 312.457 4.026 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001178623922 1049067093 /nfs/dbraw/zinc/06/70/93/1049067093.db2.gz CFQDUVWKEYQNDQ-YLJYHZDGSA-N 1 0 323.411 4.264 20 30 DIEDRO C#CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC001178639559 1049071205 /nfs/dbraw/zinc/07/12/05/1049071205.db2.gz BAELLSSRXCAVBF-UHFFFAOYSA-N 1 0 313.828 4.422 20 30 DIEDRO C=C(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001178705527 1049078019 /nfs/dbraw/zinc/07/80/19/1049078019.db2.gz XLROGMXRNMXKAG-UHFFFAOYSA-N 1 0 303.409 4.205 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(-n3ccnc3)cs2)CCCC1 ZINC001178710097 1049078708 /nfs/dbraw/zinc/07/87/08/1049078708.db2.gz SGTKIEYWGTYFBS-UHFFFAOYSA-N 1 0 301.459 4.160 20 30 DIEDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCc1ccc(C#N)cc1 ZINC001192304224 1049082610 /nfs/dbraw/zinc/08/26/10/1049082610.db2.gz RXUUPMFCQFCXTD-CABCVRRESA-N 1 0 308.400 4.248 20 30 DIEDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCc1ccc(C#N)cc1 ZINC001192304235 1049083025 /nfs/dbraw/zinc/08/30/25/1049083025.db2.gz RXUUPMFCQFCXTD-HUUCEWRRSA-N 1 0 308.400 4.248 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc(C)cc(Br)c2)cc1 ZINC001178759009 1049084889 /nfs/dbraw/zinc/08/48/89/1049084889.db2.gz QRUFAVDWKVYPFH-UHFFFAOYSA-N 1 0 314.226 4.029 20 30 DIEDRO Cc1cccc([C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C(C)(C)C)c1 ZINC000775524343 1049088957 /nfs/dbraw/zinc/08/89/57/1049088957.db2.gz SYXCFYSSTZKLPZ-PMACEKPBSA-N 1 0 322.452 4.277 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC001202496332 1049102333 /nfs/dbraw/zinc/10/23/33/1049102333.db2.gz YFJYFMSPNIQUGK-UXHICEINSA-N 1 0 309.409 4.302 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000856732345 1049102775 /nfs/dbraw/zinc/10/27/75/1049102775.db2.gz NLGFSJGJUTVGDO-RTBURBONSA-N 1 0 314.473 4.198 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856776184 1049104711 /nfs/dbraw/zinc/10/47/11/1049104711.db2.gz BUBDNCAJRCIVMG-VIFPVBQESA-N 1 0 319.758 4.344 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)c(OCC)c1)C1CCCCC1 ZINC001204192958 1049107323 /nfs/dbraw/zinc/10/73/23/1049107323.db2.gz GXURDLVUMZDQCH-UHFFFAOYSA-N 1 0 303.446 4.415 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C/C=C/c1cccc(F)c1 ZINC001178971210 1049116022 /nfs/dbraw/zinc/11/60/22/1049116022.db2.gz FXOOMZISFXHXKG-GECPCNCSSA-N 1 0 306.384 4.378 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc(F)cc1F)C1CC1 ZINC001192617586 1049124695 /nfs/dbraw/zinc/12/46/95/1049124695.db2.gz WIAZLDTWTOCBMM-LJQANCHMSA-N 1 0 312.363 4.386 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC001192673073 1049128472 /nfs/dbraw/zinc/12/84/72/1049128472.db2.gz LKLWERQUYBUFBQ-SFTDATJTSA-N 1 0 309.453 4.277 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)cc1 ZINC001204299875 1049133883 /nfs/dbraw/zinc/13/38/83/1049133883.db2.gz CPPXJQFSCFSAAR-HXUWFJFHSA-N 1 0 323.436 4.043 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)ccc1C#N ZINC001204306113 1049137035 /nfs/dbraw/zinc/13/70/35/1049137035.db2.gz GFEFZOAYZUHNEW-KUHUBIRLSA-N 1 0 324.399 4.289 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cc1Cl ZINC001179168702 1049138873 /nfs/dbraw/zinc/13/88/73/1049138873.db2.gz HHLSNXYNHLVDIU-HRCADAONSA-N 1 0 305.849 4.431 20 30 DIEDRO C=CCOCCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC001179169170 1049139216 /nfs/dbraw/zinc/13/92/16/1049139216.db2.gz RZJCLVLEDXBPRQ-UHFFFAOYSA-N 1 0 303.377 4.076 20 30 DIEDRO CCCCCOc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001204316866 1049139691 /nfs/dbraw/zinc/13/96/91/1049139691.db2.gz WMDFWGNQVJIOLJ-KRWDZBQOSA-N 1 0 300.446 4.381 20 30 DIEDRO SC1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC001204332133 1049144473 /nfs/dbraw/zinc/14/44/73/1049144473.db2.gz YGWXYYYZBMXVER-UHFFFAOYSA-N 1 0 313.466 4.160 20 30 DIEDRO Cc1c(C[NH2+][C@@H](CCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000775554221 1049145150 /nfs/dbraw/zinc/14/51/50/1049145150.db2.gz VVZMQVPVHMXEMQ-KRWDZBQOSA-N 1 0 309.369 4.038 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC001179238485 1049145864 /nfs/dbraw/zinc/14/58/64/1049145864.db2.gz OWXCQSDIWOBBQS-UHFFFAOYSA-N 1 0 303.475 4.274 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC001179238721 1049145913 /nfs/dbraw/zinc/14/59/13/1049145913.db2.gz XKWWLZPMIMODAX-UHFFFAOYSA-N 1 0 315.436 4.320 20 30 DIEDRO N#CCC[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000775553210 1049146743 /nfs/dbraw/zinc/14/67/43/1049146743.db2.gz MOUQDCBJKWQJMA-MSOLQXFVSA-N 1 0 314.816 4.008 20 30 DIEDRO N#CCC[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000775553214 1049147510 /nfs/dbraw/zinc/14/75/10/1049147510.db2.gz MOUQDCBJKWQJMA-ROUUACIJSA-N 1 0 314.816 4.008 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2c[nH]c3c2cccc3Cl)cc1 ZINC001179291672 1049150668 /nfs/dbraw/zinc/15/06/68/1049150668.db2.gz UBFGOPDHMMSKCK-UHFFFAOYSA-N 1 0 308.812 4.135 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)NCCCC[NH+](CC)CC ZINC001192944484 1049150902 /nfs/dbraw/zinc/15/09/02/1049150902.db2.gz UMZLVPMTBRYJQP-KRWDZBQOSA-N 1 0 313.530 4.157 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OCC)c(OC)c1)C1CCCCC1 ZINC001204362091 1049151959 /nfs/dbraw/zinc/15/19/59/1049151959.db2.gz QFEQFZOBPSKYNP-UHFFFAOYSA-N 1 0 303.446 4.415 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001204369988 1049153487 /nfs/dbraw/zinc/15/34/87/1049153487.db2.gz MCBAECWSAAZOBP-UHFFFAOYSA-N 1 0 304.437 4.403 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(-c3ccccc3)cc2OC)CCCC1 ZINC001179437741 1049164266 /nfs/dbraw/zinc/16/42/66/1049164266.db2.gz LNFFQXFNBJARFV-UHFFFAOYSA-N 1 0 305.421 4.398 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(F)c3ccccc23)cc1C#N ZINC001179447404 1049165228 /nfs/dbraw/zinc/16/52/28/1049165228.db2.gz FUYQZDLNFYAHEN-UHFFFAOYSA-N 1 0 320.367 4.149 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](CC(C)C)C2)cc1C#N ZINC001179448225 1049165716 /nfs/dbraw/zinc/16/57/16/1049165716.db2.gz ZKAAQYXOWPDTLW-CRAIPNDOSA-N 1 0 300.446 4.261 20 30 DIEDRO CC(C)(C)C1CCC(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC001179419486 1049167021 /nfs/dbraw/zinc/16/70/21/1049167021.db2.gz NJAHLLCGAJWXMT-OAAAQFAESA-N 1 0 310.485 4.468 20 30 DIEDRO CC(C)Cc1ccc(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001179419432 1049167827 /nfs/dbraw/zinc/16/78/27/1049167827.db2.gz LRZOMFSMBWSSJW-OAQYLSRUSA-N 1 0 304.437 4.014 20 30 DIEDRO C=C/C=C\CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001179472961 1049171433 /nfs/dbraw/zinc/17/14/33/1049171433.db2.gz GSYLNUKWYSSOCU-ARJAWSKDSA-N 1 0 318.420 4.359 20 30 DIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001193082334 1049174323 /nfs/dbraw/zinc/17/43/23/1049174323.db2.gz QUSQJAGFCQTWBC-MJGOQNOKSA-N 1 0 300.446 4.276 20 30 DIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001193081230 1049174889 /nfs/dbraw/zinc/17/48/89/1049174889.db2.gz NMTARELXARVTGJ-IEBWSBKVSA-N 1 0 300.446 4.276 20 30 DIEDRO C#CC[N@@H+](Cc1cccc(Br)c1F)C1CCCCC1 ZINC001204496903 1049175817 /nfs/dbraw/zinc/17/58/17/1049175817.db2.gz KDEQFHWJGAMKIV-UHFFFAOYSA-N 1 0 324.237 4.356 20 30 DIEDRO Cc1cc(C)cc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001204527576 1049182410 /nfs/dbraw/zinc/18/24/10/1049182410.db2.gz XNMBYUMOCKREQG-UHFFFAOYSA-N 1 0 322.427 4.500 20 30 DIEDRO CCCCCCCC[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC001193131641 1049183582 /nfs/dbraw/zinc/18/35/82/1049183582.db2.gz VWFGBLNJOWJFDM-INIZCTEOSA-N 1 0 309.523 4.182 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccccc3)CCCC2)cc1F ZINC001193226663 1049191667 /nfs/dbraw/zinc/19/16/67/1049191667.db2.gz XYGCOYYPTGZYJE-UHFFFAOYSA-N 1 0 308.400 4.342 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000775589481 1049196155 /nfs/dbraw/zinc/19/61/55/1049196155.db2.gz PGCNELXNZPUKOU-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000775589482 1049196246 /nfs/dbraw/zinc/19/62/46/1049196246.db2.gz PGCNELXNZPUKOU-IRXDYDNUSA-N 1 0 322.493 4.064 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001179706183 1049197178 /nfs/dbraw/zinc/19/71/78/1049197178.db2.gz LHYXOLWMOAIUPS-HXUWFJFHSA-N 1 0 304.437 4.212 20 30 DIEDRO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000776966502 1049197911 /nfs/dbraw/zinc/19/79/11/1049197911.db2.gz PLMJGVJYNHAXCE-YQHFOJDRSA-N 1 0 320.436 4.360 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC001179715913 1049198245 /nfs/dbraw/zinc/19/82/45/1049198245.db2.gz CVYAEUOROIDOSQ-INIZCTEOSA-N 1 0 303.471 4.159 20 30 DIEDRO Cc1c2ccccc2oc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000115620198 1049199315 /nfs/dbraw/zinc/19/93/15/1049199315.db2.gz BUJQLWNVAGAGJM-CQSZACIVSA-N 1 0 320.392 4.322 20 30 DIEDRO Cc1c(C#N)c(-c2ccc(C[NH+](C)C)cc2)nc2ccccc12 ZINC001204620899 1049202912 /nfs/dbraw/zinc/20/29/12/1049202912.db2.gz QGFQUOGSRGABEQ-UHFFFAOYSA-N 1 0 301.393 4.144 20 30 DIEDRO CC[C@@]1(C)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001193473907 1049214500 /nfs/dbraw/zinc/21/45/00/1049214500.db2.gz RQSNGOFGKYDKNS-NRFANRHFSA-N 1 0 320.436 4.226 20 30 DIEDRO COc1cc(C[N@H+](C)CC(C)(C)c2ccc(C)cc2)ccc1C#N ZINC001179877975 1049225633 /nfs/dbraw/zinc/22/56/33/1049225633.db2.gz LKCNKWJCEUVFMW-UHFFFAOYSA-N 1 0 322.452 4.285 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(F)c(F)c1 ZINC001193573926 1049226087 /nfs/dbraw/zinc/22/60/87/1049226087.db2.gz CLKFOAWYOGJNRA-WBAXXEDZSA-N 1 0 307.384 4.129 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC001204695282 1049229122 /nfs/dbraw/zinc/22/91/22/1049229122.db2.gz OBPNBWCIPGNYOX-UHFFFAOYSA-N 1 0 300.789 4.336 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(F)c(C#N)c2F)cc1 ZINC001204700709 1049231561 /nfs/dbraw/zinc/23/15/61/1049231561.db2.gz YCXKRBAPEGAKHU-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000858270611 1049232738 /nfs/dbraw/zinc/23/27/38/1049232738.db2.gz HRCINFKKTJUDME-ZDUSSCGKSA-N 1 0 310.388 4.139 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)ccc1C#N ZINC001179937719 1049233531 /nfs/dbraw/zinc/23/35/31/1049233531.db2.gz PDEZJLALMDFDRX-IFXJQAMLSA-N 1 0 324.399 4.289 20 30 DIEDRO COc1cc(C#N)cc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)c1 ZINC001204704747 1049234505 /nfs/dbraw/zinc/23/45/05/1049234505.db2.gz ALCODRDYPIGOAF-UHFFFAOYSA-N 1 0 309.413 4.199 20 30 DIEDRO COc1ccc(C#N)cc1Nc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001204705648 1049234656 /nfs/dbraw/zinc/23/46/56/1049234656.db2.gz OTSFBEFRJISCCL-UHFFFAOYSA-N 1 0 309.413 4.199 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)n1 ZINC001179973553 1049241047 /nfs/dbraw/zinc/24/10/47/1049241047.db2.gz CFLGQZAAWKWDES-DZFTYQQFSA-N 1 0 317.436 4.411 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OCC)c(OC)c1 ZINC001179997605 1049246101 /nfs/dbraw/zinc/24/61/01/1049246101.db2.gz QLJNZYBERHFFCM-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO Cc1cccc([C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C(C)C)c1 ZINC000858377340 1049249614 /nfs/dbraw/zinc/24/96/14/1049249614.db2.gz YEMHJDBOXKLHEL-FQEVSTJZSA-N 1 0 308.425 4.384 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001180030964 1049259902 /nfs/dbraw/zinc/25/99/02/1049259902.db2.gz RPIBHAPYKWOMQN-HNNXBMFYSA-N 1 0 300.446 4.162 20 30 DIEDRO C=CCOCCC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000470790620 1049261664 /nfs/dbraw/zinc/26/16/64/1049261664.db2.gz UQKXRWJSFSUICY-OAHLLOKOSA-N 1 0 313.363 4.087 20 30 DIEDRO CCCC[N@H+](CCc1ccc(C#N)cc1)Cc1ccccc1O ZINC001193839463 1049263214 /nfs/dbraw/zinc/26/32/14/1049263214.db2.gz RTOICVGJPQMNAP-UHFFFAOYSA-N 1 0 308.425 4.109 20 30 DIEDRO CCC[N@H+](Cc1c(C)nn(C(C)C)c1C)Cc1ccc(C#N)cc1 ZINC001204803573 1049269363 /nfs/dbraw/zinc/26/93/63/1049269363.db2.gz NLUNUPQTVZILCH-UHFFFAOYSA-N 1 0 324.472 4.365 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cn(C(F)F)c3ccccc23)C1 ZINC000858538876 1049269830 /nfs/dbraw/zinc/26/98/30/1049269830.db2.gz PWZBECFXRBBSTB-JSGCOSHPSA-N 1 0 303.356 4.208 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCOc2ccccc21 ZINC001204803598 1049270339 /nfs/dbraw/zinc/27/03/39/1049270339.db2.gz OHSBSLXIGAQJLD-IBGZPJMESA-N 1 0 320.436 4.337 20 30 DIEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2ccc(C)c(F)c2)CCCC1(C)C ZINC001193920071 1049281277 /nfs/dbraw/zinc/28/12/77/1049281277.db2.gz JCNWOXWBAOSDOJ-QGZVFWFLSA-N 1 0 318.436 4.139 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Oc2ccc(OC)cc2)cc1)CC1CC1 ZINC001180115993 1049290627 /nfs/dbraw/zinc/29/06/27/1049290627.db2.gz FLXBSANGAOFJAX-UHFFFAOYSA-N 1 0 321.420 4.333 20 30 DIEDRO CCCCCCCOC(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001194015496 1049298381 /nfs/dbraw/zinc/29/83/81/1049298381.db2.gz HCIQILCAJGYWIY-UHFFFAOYSA-N 1 0 312.498 4.334 20 30 DIEDRO CCCCCCCOC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC001194016349 1049300266 /nfs/dbraw/zinc/30/02/66/1049300266.db2.gz XFPBUYXYAUMIIE-UHFFFAOYSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCOC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001194019330 1049300853 /nfs/dbraw/zinc/30/08/53/1049300853.db2.gz HTCMXUVVAUHATB-UHFFFAOYSA-N 1 0 324.509 4.480 20 30 DIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001180170627 1049306402 /nfs/dbraw/zinc/30/64/02/1049306402.db2.gz PUGVBXFSCJYZSQ-UXHICEINSA-N 1 0 305.425 4.111 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Cc3ccccc3F)CC2)ccc1C#N ZINC001180219246 1049311370 /nfs/dbraw/zinc/31/13/70/1049311370.db2.gz LCYXIDSKCYSTFC-UHFFFAOYSA-N 1 0 322.427 4.461 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3c(F)cccc3F)CC2)cc1 ZINC000485695016 1049314762 /nfs/dbraw/zinc/31/47/62/1049314762.db2.gz KBPNVKJVAPWXTA-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC001204947088 1049320238 /nfs/dbraw/zinc/32/02/38/1049320238.db2.gz ZJYHEKYIJROCIN-OAHLLOKOSA-N 1 0 310.482 4.158 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@H](C)[C@@H]1OC ZINC001194090204 1049324662 /nfs/dbraw/zinc/32/46/62/1049324662.db2.gz DTRQFKPPMBHGAP-IPELMVKDSA-N 1 0 314.473 4.104 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3nonc3c2)cc1 ZINC001204966749 1049326898 /nfs/dbraw/zinc/32/68/98/1049326898.db2.gz UELUNVANJQSGAP-IBGZPJMESA-N 1 0 305.381 4.213 20 30 DIEDRO C=CCO[C@H]1CC[N@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001180317576 1049328558 /nfs/dbraw/zinc/32/85/58/1049328558.db2.gz JHQJNXFAZYKZQV-INIZCTEOSA-N 1 0 307.393 4.363 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1COC2(CCC(C)CC2)O1 ZINC001204992650 1049334079 /nfs/dbraw/zinc/33/40/79/1049334079.db2.gz JQYBBFVMZNCRFY-IAFLDTSXSA-N 1 0 309.494 4.423 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(C(=O)OCC)o1)CC1CCCCC1 ZINC001180292967 1049337577 /nfs/dbraw/zinc/33/75/77/1049337577.db2.gz SLIKBSWPPBEEHD-UHFFFAOYSA-N 1 0 305.418 4.025 20 30 DIEDRO C=CCC1([NH2+][C@@H](C)Cc2ccccc2SC)CCOCC1 ZINC000668551319 1049343684 /nfs/dbraw/zinc/34/36/84/1049343684.db2.gz KBEKMHLYPCFXDD-HNNXBMFYSA-N 1 0 305.487 4.054 20 30 DIEDRO C=CC[NH+](CC=C)C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180375308 1049347616 /nfs/dbraw/zinc/34/76/16/1049347616.db2.gz OUQIFLDGDJLWPU-MRXNPFEDSA-N 1 0 324.509 4.380 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc2ncsc2c1 ZINC000485835624 1049353657 /nfs/dbraw/zinc/35/36/57/1049353657.db2.gz ZDSLOLDHLRAZBM-NSHDSACASA-N 1 0 311.385 4.158 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)ccc1C#N ZINC001205052396 1049356810 /nfs/dbraw/zinc/35/68/10/1049356810.db2.gz GGIHTYNVSMEENW-UHFFFAOYSA-N 1 0 304.437 4.321 20 30 DIEDRO CC[N@H+](Cc1csc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001205059759 1049360857 /nfs/dbraw/zinc/36/08/57/1049360857.db2.gz DFCYPBQEWUDNHV-AWEZNQCLSA-N 1 0 314.454 4.081 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001194418300 1049372299 /nfs/dbraw/zinc/37/22/99/1049372299.db2.gz PTMZUWLOENAIRC-YSGRDPCXSA-N 1 0 309.409 4.473 20 30 DIEDRO Cc1cccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c1C ZINC001205096150 1049375397 /nfs/dbraw/zinc/37/53/97/1049375397.db2.gz UVLQSQUYATVXSX-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(C#N)ccc1N(C)C ZINC001205123192 1049386425 /nfs/dbraw/zinc/38/64/25/1049386425.db2.gz JWOPXXKZIDWFIJ-UHFFFAOYSA-N 1 0 321.468 4.345 20 30 DIEDRO CCC#C[C@H](C)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001194541885 1049389344 /nfs/dbraw/zinc/38/93/44/1049389344.db2.gz NEEZPVIKOLCRMR-NSHDSACASA-N 1 0 316.392 4.143 20 30 DIEDRO CCC#C[C@@H](C)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001194541884 1049389463 /nfs/dbraw/zinc/38/94/63/1049389463.db2.gz NEEZPVIKOLCRMR-LLVKDONJSA-N 1 0 316.392 4.143 20 30 DIEDRO CCCCCCCCOC(=O)NCC1CC[NH+](C2CCC2)CC1 ZINC001194753685 1049417365 /nfs/dbraw/zinc/41/73/65/1049417365.db2.gz RHEGBJWWGLBRTB-UHFFFAOYSA-N 1 0 324.509 4.338 20 30 DIEDRO Cc1ccc(SC[C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC001180969460 1049424602 /nfs/dbraw/zinc/42/46/02/1049424602.db2.gz IUBUQEAQBZUHHP-CQSZACIVSA-N 1 0 314.429 4.276 20 30 DIEDRO C#CC[N@H+](Cc1cccc2[nH]ccc21)[C@@H]1CCc2ccccc21 ZINC001205290007 1049429045 /nfs/dbraw/zinc/42/90/45/1049429045.db2.gz YJRPNEWXBRJEMJ-OAQYLSRUSA-N 1 0 300.405 4.291 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)cc1 ZINC001205304394 1049432905 /nfs/dbraw/zinc/43/29/05/1049432905.db2.gz BOCQHESAKDJNOS-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001181122632 1049442692 /nfs/dbraw/zinc/44/26/92/1049442692.db2.gz MSHBCWPRXBXDNK-RBUKOAKNSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCCOC(=O)N1CCC([NH+]2CCC2)CC1 ZINC001194913734 1049446955 /nfs/dbraw/zinc/44/69/55/1049446955.db2.gz IDHOEOQNAYFCBU-UHFFFAOYSA-N 1 0 310.482 4.044 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H]2C ZINC001205353909 1049447543 /nfs/dbraw/zinc/44/75/43/1049447543.db2.gz PFZCBUCGFYPYJP-HZPDHXFCSA-N 1 0 320.436 4.383 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000588216082 1049449015 /nfs/dbraw/zinc/44/90/15/1049449015.db2.gz LFVNHZPAOHYERV-IBGZPJMESA-N 1 0 308.425 4.458 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOc2cccc(Cl)c2Cl)C1 ZINC000613255056 1049450488 /nfs/dbraw/zinc/45/04/88/1049450488.db2.gz BKYPWXDQFUXMAH-NEPJUHHUSA-N 1 0 313.228 4.044 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(F)cc(F)c1 ZINC001181162436 1049453636 /nfs/dbraw/zinc/45/36/36/1049453636.db2.gz HRGYCGABDSZQPP-NSHDSACASA-N 1 0 320.770 4.383 20 30 DIEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001194953762 1049454682 /nfs/dbraw/zinc/45/46/82/1049454682.db2.gz UCFNOWWBCFOCLR-CXAGYDPISA-N 1 0 306.837 4.301 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C1CC1 ZINC001205390556 1049457499 /nfs/dbraw/zinc/45/74/99/1049457499.db2.gz AESLCXNPQAIXOD-VFNWGFHPSA-N 1 0 320.436 4.301 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2cc(OC)c(OC)cc2F)CCCC1(C)C ZINC001181296699 1049461409 /nfs/dbraw/zinc/46/14/09/1049461409.db2.gz CBSPJGDJYMIDSD-SFHVURJKSA-N 1 0 321.436 4.410 20 30 DIEDRO Cc1cc(CN(C)[C@@H](C)c2c(F)cccc2F)ccc1C#N ZINC000486733565 1049463329 /nfs/dbraw/zinc/46/33/29/1049463329.db2.gz FLUIKTAFBFAXDI-ZDUSSCGKSA-N 1 0 300.352 4.338 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001205434489 1049469052 /nfs/dbraw/zinc/46/90/52/1049469052.db2.gz NVXDOTNNKRSRNX-PSLQGDIJSA-N 1 0 321.411 4.377 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC(C)(C)C1 ZINC001195084199 1049473825 /nfs/dbraw/zinc/47/38/25/1049473825.db2.gz MTTNNTLNQAHTGY-UHFFFAOYSA-N 1 0 308.372 4.170 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000486804515 1049478112 /nfs/dbraw/zinc/47/81/12/1049478112.db2.gz RIKZCZVPOFPICQ-IBGZPJMESA-N 1 0 304.437 4.305 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC001205472133 1049478856 /nfs/dbraw/zinc/47/88/56/1049478856.db2.gz VTGRPGUQEMQQTM-AWEZNQCLSA-N 1 0 306.400 4.306 20 30 DIEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001205488947 1049485159 /nfs/dbraw/zinc/48/51/59/1049485159.db2.gz FSERKPIXYQOTFG-SOTJZCEJSA-N 1 0 312.457 4.042 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](CC)CCc1ccc(Br)cc1)C(C)C ZINC001181578170 1049491846 /nfs/dbraw/zinc/49/18/46/1049491846.db2.gz XXIVBAYOBUYOQY-IAGOWNOFSA-N 1 0 322.290 4.408 20 30 DIEDRO C#C[C@H](C)[NH2+]Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001181646228 1049496450 /nfs/dbraw/zinc/49/64/50/1049496450.db2.gz KQQMJQDVFGYNPI-NSHDSACASA-N 1 0 305.299 4.008 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC2(CCC2)CC1 ZINC001181611604 1049497236 /nfs/dbraw/zinc/49/72/36/1049497236.db2.gz PMKFGLALZRTDJD-UHFFFAOYSA-N 1 0 303.833 4.118 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC001195222244 1049499446 /nfs/dbraw/zinc/49/94/46/1049499446.db2.gz AURHPWFVGKAWKG-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC001205575518 1049503245 /nfs/dbraw/zinc/50/32/45/1049503245.db2.gz PSKSVDTURCMYIW-CZUORRHYSA-N 1 0 314.256 4.107 20 30 DIEDRO CCN(Cc1c(F)cccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000487000063 1049506205 /nfs/dbraw/zinc/50/62/05/1049506205.db2.gz KBLIUVZDXFEJAD-CYBMUJFWSA-N 1 0 300.352 4.420 20 30 DIEDRO C[C@@H]([C@H](OCc1ccc(C#N)cc1)c1ccccc1)[NH+]1CCCC1 ZINC001205598707 1049507851 /nfs/dbraw/zinc/50/78/51/1049507851.db2.gz ZVECESVAZMZCHW-UWJYYQICSA-N 1 0 320.436 4.300 20 30 DIEDRO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001195279004 1049508371 /nfs/dbraw/zinc/50/83/71/1049508371.db2.gz MCVBPBOZKZODEX-WBVHZDCISA-N 1 0 315.417 4.113 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(Cl)cc1F ZINC001181699049 1049511393 /nfs/dbraw/zinc/51/13/93/1049511393.db2.gz YDEJZLBBKXNRQQ-CQSZACIVSA-N 1 0 301.739 4.321 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CCc1cccnc1)c1ccc(Cl)cc1F ZINC001181697774 1049511412 /nfs/dbraw/zinc/51/14/12/1049511412.db2.gz NLPZNNKRUVBIDP-FZKQIMNGSA-N 1 0 316.807 4.159 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cs1 ZINC001181739714 1049511717 /nfs/dbraw/zinc/51/17/17/1049511717.db2.gz KOTRUNQNRXOZSM-UHFFFAOYSA-N 1 0 318.392 4.278 20 30 DIEDRO C#CCn1ccc(C[N@H+](CC)CC[C@@H](C)CCC=C(C)C)n1 ZINC001205620201 1049513143 /nfs/dbraw/zinc/51/31/43/1049513143.db2.gz CZKFDVGZIFOUCO-SFHVURJKSA-N 1 0 301.478 4.111 20 30 DIEDRO C#CCn1ccc(C[N@H+](CC)CC[C@H](C)CCC=C(C)C)n1 ZINC001205620199 1049514719 /nfs/dbraw/zinc/51/47/19/1049514719.db2.gz CZKFDVGZIFOUCO-GOSISDBHSA-N 1 0 301.478 4.111 20 30 DIEDRO COc1cccc(CCC[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC001195358146 1049518422 /nfs/dbraw/zinc/51/84/22/1049518422.db2.gz MBTJHFBEYYVHHJ-MRXNPFEDSA-N 1 0 308.425 4.192 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(C)ccc1OC(F)F)c1ccccc1 ZINC000794463614 1049523086 /nfs/dbraw/zinc/52/30/86/1049523086.db2.gz WFFYXVLSGYPJQP-KRWDZBQOSA-N 1 0 315.363 4.451 20 30 DIEDRO C#CC[C@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC001195463336 1049530943 /nfs/dbraw/zinc/53/09/43/1049530943.db2.gz LANZTIQAEMGMEK-SFHVURJKSA-N 1 0 324.493 4.164 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001181891944 1049540026 /nfs/dbraw/zinc/54/00/26/1049540026.db2.gz HHSOBQZKAGGPKK-HPBDAGMYSA-N 1 0 305.849 4.299 20 30 DIEDRO C#C[C@H](CC)[NH2+][C@H](CC)CCc1ccc(Br)cc1 ZINC001205713594 1049541142 /nfs/dbraw/zinc/54/11/42/1049541142.db2.gz DLJZOUJCQXNXPM-HZPDHXFCSA-N 1 0 308.263 4.162 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC000668778106 1049553709 /nfs/dbraw/zinc/55/37/09/1049553709.db2.gz IKWITFSZFROEIV-UHFFFAOYSA-N 1 0 306.479 4.057 20 30 DIEDRO C#C[C@@H]([NH2+]C[C@H](C)c1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001182020874 1049564932 /nfs/dbraw/zinc/56/49/32/1049564932.db2.gz OPATZHIQXCLNJO-KPZWWZAWSA-N 1 0 303.327 4.172 20 30 DIEDRO C=C(C)CC[NH2+]C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001205882300 1049592904 /nfs/dbraw/zinc/59/29/04/1049592904.db2.gz KPJIMGODNPQUGT-OAHLLOKOSA-N 1 0 312.498 4.262 20 30 DIEDRO C=CC[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC001195945992 1049597339 /nfs/dbraw/zinc/59/73/39/1049597339.db2.gz DUSXFMVSZUPJSJ-OAHLLOKOSA-N 1 0 323.436 4.070 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000775677343 1049601427 /nfs/dbraw/zinc/60/14/27/1049601427.db2.gz BWYJJOOABQJZDH-BBRMVZONSA-N 1 0 306.837 4.301 20 30 DIEDRO C=CCCCCC[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000488145932 1049605039 /nfs/dbraw/zinc/60/50/39/1049605039.db2.gz HFRIPBRIYAHELB-UHFFFAOYSA-N 1 0 302.462 4.310 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC001196055746 1049606051 /nfs/dbraw/zinc/60/60/51/1049606051.db2.gz GZTWDAIPYXBGJZ-ROUUACIJSA-N 1 0 307.441 4.368 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001196058178 1049607279 /nfs/dbraw/zinc/60/72/79/1049607279.db2.gz YBTXUUCBKOAPGI-ZIAGYGMSSA-N 1 0 309.356 4.233 20 30 DIEDRO Cc1ccccc1OCCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC001196039048 1049607364 /nfs/dbraw/zinc/60/73/64/1049607364.db2.gz JQPWOPOLPVKEPC-UHFFFAOYSA-N 1 0 308.425 4.161 20 30 DIEDRO C#C[C@H](NCc1cccc(OC(C)(C)C)c1)c1ccc(F)cc1 ZINC001205981003 1049617048 /nfs/dbraw/zinc/61/70/48/1049617048.db2.gz VFCFPAYCIPJZMZ-IBGZPJMESA-N 1 0 311.400 4.467 20 30 DIEDRO C=CC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)C ZINC001196189199 1049624470 /nfs/dbraw/zinc/62/44/70/1049624470.db2.gz RHWXABAHGQCFLE-UHFFFAOYSA-N 1 0 319.836 4.219 20 30 DIEDRO CCCCCCCc1ccc(-c2noc(C[C@@H](C)[NH3+])n2)cc1 ZINC001206000702 1049625846 /nfs/dbraw/zinc/62/58/46/1049625846.db2.gz WAOSBNSHVGEHFG-CQSZACIVSA-N 1 0 301.434 4.139 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000774246343 1049633795 /nfs/dbraw/zinc/63/37/95/1049633795.db2.gz YJJCXTOAMSAXQU-YJBOKZPZSA-N 1 0 310.397 4.128 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC001196264185 1049635830 /nfs/dbraw/zinc/63/58/30/1049635830.db2.gz VVVZQFVPRPSJIH-UHFFFAOYSA-N 1 0 323.415 4.089 20 30 DIEDRO COc1ccc(C#N)cc1CN(Cc1ccccc1F)CC1CC1 ZINC001196237515 1049636074 /nfs/dbraw/zinc/63/60/74/1049636074.db2.gz MNHWBJFLMKACSM-UHFFFAOYSA-N 1 0 324.399 4.118 20 30 DIEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H](OCCC2CCCCC2)C1 ZINC001206040953 1049638070 /nfs/dbraw/zinc/63/80/70/1049638070.db2.gz IREXRBQWCBOWKX-FQEVSTJZSA-N 1 0 312.457 4.120 20 30 DIEDRO C=C(C)C[N@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC001196302701 1049640374 /nfs/dbraw/zinc/64/03/74/1049640374.db2.gz NMJFFQZZRIJNTQ-UHFFFAOYSA-N 1 0 306.862 4.488 20 30 DIEDRO CC[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000774270946 1049641478 /nfs/dbraw/zinc/64/14/78/1049641478.db2.gz RMIPUNZWMWYFKF-UXHICEINSA-N 1 0 320.436 4.113 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001196322644 1049641826 /nfs/dbraw/zinc/64/18/26/1049641826.db2.gz PFPKCTPEHGGKDW-IXDOHACOSA-N 1 0 316.832 4.016 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCCC1(C)OCCO1)c1ccccc1 ZINC000774384831 1049655085 /nfs/dbraw/zinc/65/50/85/1049655085.db2.gz QZHHORVXXFGVSM-SFHVURJKSA-N 1 0 303.446 4.217 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc(C)nc(N2CCCC2)n1 ZINC001206108523 1049655503 /nfs/dbraw/zinc/65/55/03/1049655503.db2.gz IIMABVKIIOVILG-INIZCTEOSA-N 1 0 318.509 4.224 20 30 DIEDRO CC[C@H](c1ccccc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001196420195 1049655777 /nfs/dbraw/zinc/65/57/77/1049655777.db2.gz QKINVSVPMDBSFZ-HXUWFJFHSA-N 1 0 305.425 4.284 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000774476948 1049672547 /nfs/dbraw/zinc/67/25/47/1049672547.db2.gz JSAUVUHXYCXOBP-ZWKOTPCHSA-N 1 0 316.489 4.309 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000774479852 1049674448 /nfs/dbraw/zinc/67/44/48/1049674448.db2.gz RNIFGIHWHFCBOC-HOTGVXAUSA-N 1 0 316.445 4.429 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC000774511295 1049684619 /nfs/dbraw/zinc/68/46/19/1049684619.db2.gz IFLOQEDUDDVXBN-UAGQMJEPSA-N 1 0 322.493 4.109 20 30 DIEDRO C=C(C)CC[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001196736042 1049685941 /nfs/dbraw/zinc/68/59/41/1049685941.db2.gz KDSFRPLEPTWQBI-OAHLLOKOSA-N 1 0 301.261 4.152 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2sc(C)cc2Br)C1 ZINC001182542977 1049686127 /nfs/dbraw/zinc/68/61/27/1049686127.db2.gz ISYLADKLPFTRAP-GFCCVEGCSA-N 1 0 312.276 4.054 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000774513797 1049686185 /nfs/dbraw/zinc/68/61/85/1049686185.db2.gz UMDSIUYLRIQFIH-JYJNAYRXSA-N 1 0 310.482 4.109 20 30 DIEDRO CC1(C)[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@@H]1Oc1ccccc1 ZINC001182575274 1049687563 /nfs/dbraw/zinc/68/75/63/1049687563.db2.gz YJLVUJBAYSRJSB-PMACEKPBSA-N 1 0 320.436 4.088 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000120254916 1049693210 /nfs/dbraw/zinc/69/32/10/1049693210.db2.gz JRIRDEQBCNIKEA-BFYDXBDKSA-N 1 0 323.864 4.020 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)c1 ZINC001206288945 1049700748 /nfs/dbraw/zinc/70/07/48/1049700748.db2.gz XXDPFVCFMAIJNS-KRWDZBQOSA-N 1 0 303.449 4.268 20 30 DIEDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C)c(C#N)c1 ZINC001196906664 1049703821 /nfs/dbraw/zinc/70/38/21/1049703821.db2.gz CODKUQDNNWVAIV-UHFFFAOYSA-N 1 0 308.425 4.288 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CC(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC001182805778 1049713329 /nfs/dbraw/zinc/71/33/29/1049713329.db2.gz JWNMPLKHNROWRX-MRXNPFEDSA-N 1 0 317.473 4.270 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC001206358922 1049719164 /nfs/dbraw/zinc/71/91/64/1049719164.db2.gz YDROKEMWEMPNKN-OLZOCXBDSA-N 1 0 312.479 4.329 20 30 DIEDRO Cc1cc(C[N@H+](C)CCc2cccc(C#N)c2)c2ccccc2n1 ZINC001197105042 1049722625 /nfs/dbraw/zinc/72/26/25/1049722625.db2.gz OQAPZFJAGSNSAM-UHFFFAOYSA-N 1 0 315.420 4.089 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001206385223 1049724979 /nfs/dbraw/zinc/72/49/79/1049724979.db2.gz TVWSWSRTUVFSNG-QZTJIDSGSA-N 1 0 316.489 4.246 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC001206409176 1049728908 /nfs/dbraw/zinc/72/89/08/1049728908.db2.gz JVEPVFVPUCOAII-UHFFFAOYSA-N 1 0 321.420 4.333 20 30 DIEDRO C#CC[C@H]1CCC[N@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC001206408686 1049729279 /nfs/dbraw/zinc/72/92/79/1049729279.db2.gz GAIJTUQEBUKNKE-KRWDZBQOSA-N 1 0 306.409 4.109 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001206421355 1049732804 /nfs/dbraw/zinc/73/28/04/1049732804.db2.gz ZNUFDBPIVFDCEE-FPCVCCKLSA-N 1 0 310.482 4.013 20 30 DIEDRO CCc1c(C)nc2sc(C#N)c(Nc3cc[nH+]c(N)c3)c2c1C ZINC001206543283 1049753742 /nfs/dbraw/zinc/75/37/42/1049753742.db2.gz VKZWOOZGJPLWCM-UHFFFAOYSA-N 1 0 323.425 4.068 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)cn1)C1CCCCC1 ZINC001206547721 1049753961 /nfs/dbraw/zinc/75/39/61/1049753961.db2.gz MMMVKSWPGOUGDP-UHFFFAOYSA-N 1 0 309.251 4.165 20 30 DIEDRO C=C[C@H]1CCCCN1Cc1csc(-c2cccc(OC)c2)n1 ZINC000489443926 1049758430 /nfs/dbraw/zinc/75/84/30/1049758430.db2.gz YHMVVRMMVMTDPN-INIZCTEOSA-N 1 0 314.454 4.359 20 30 DIEDRO C[C@H](CSc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001206569126 1049758422 /nfs/dbraw/zinc/75/84/22/1049758422.db2.gz SHOXZMMABDHLBD-CQSZACIVSA-N 1 0 314.429 4.310 20 30 DIEDRO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCc1ccc(C#N)cc1 ZINC001206644812 1049774611 /nfs/dbraw/zinc/77/46/11/1049774611.db2.gz JUFODYQTVQKGQK-INIZCTEOSA-N 1 0 317.436 4.193 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2sc(C)cc2Br)C1 ZINC001206800436 1049801873 /nfs/dbraw/zinc/80/18/73/1049801873.db2.gz KPTSSMQMYDDHMH-NSHDSACASA-N 1 0 300.265 4.217 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c(C)nn(C(=O)OC(C)(C)C)c1C ZINC001206814342 1049805716 /nfs/dbraw/zinc/80/57/16/1049805716.db2.gz NBESWWUIZGYCRN-UHFFFAOYSA-N 1 0 321.465 4.071 20 30 DIEDRO C[N@H+](CCOc1ccc2ccccc2c1)Cc1cccc(C#N)c1 ZINC000029241034 1049818401 /nfs/dbraw/zinc/81/84/01/1049818401.db2.gz XUSVAKUKTXJXOJ-UHFFFAOYSA-N 1 0 316.404 4.222 20 30 DIEDRO Clc1cccc2c(CC[NH2+]CC#Cc3ccccc3)c[nH]c21 ZINC001207006262 1049819904 /nfs/dbraw/zinc/81/99/04/1049819904.db2.gz AIMYMHBZIWRHEX-UHFFFAOYSA-N 1 0 308.812 4.005 20 30 DIEDRO C[C@@H](CC1CCCC1)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001207035330 1049823182 /nfs/dbraw/zinc/82/31/82/1049823182.db2.gz NVGAAWDMLBZEPA-INIZCTEOSA-N 1 0 311.473 4.085 20 30 DIEDRO Cc1cc(C[NH2+]CC#Cc2ccccc2)c(C)n1-c1ccccc1 ZINC001207102262 1049835600 /nfs/dbraw/zinc/83/56/00/1049835600.db2.gz NJPKTYUEQILOMF-UHFFFAOYSA-N 1 0 314.432 4.235 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000151103540 1049837391 /nfs/dbraw/zinc/83/73/91/1049837391.db2.gz UCDBQECOVGKBFO-AWEZNQCLSA-N 1 0 302.805 4.064 20 30 DIEDRO C#CCN(CC)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000490820255 1049867460 /nfs/dbraw/zinc/86/74/60/1049867460.db2.gz MPNOHMSHQPIURR-SNVBAGLBSA-N 1 0 324.211 4.060 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc(Cl)c1 ZINC001207243574 1049868216 /nfs/dbraw/zinc/86/82/16/1049868216.db2.gz NUNYSIJZDXUIEW-ORAYPTAESA-N 1 0 310.828 4.072 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CCC1CCCCC1)C2 ZINC001207256742 1049870399 /nfs/dbraw/zinc/87/03/99/1049870399.db2.gz LRPJZDOARPIPJE-VQTJNVASSA-N 1 0 321.505 4.031 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC001207335102 1049880821 /nfs/dbraw/zinc/88/08/21/1049880821.db2.gz XCACGZDEYIQWKD-MRXNPFEDSA-N 1 0 312.461 4.377 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000491038260 1049881934 /nfs/dbraw/zinc/88/19/34/1049881934.db2.gz OZXWDXIEDGSWHO-UHFFFAOYSA-N 1 0 320.480 4.406 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C)c1ccc(OC)c(OC)c1 ZINC000586776233 1049894758 /nfs/dbraw/zinc/89/47/58/1049894758.db2.gz VYORZQUJQKOHNF-GOSISDBHSA-N 1 0 324.424 4.125 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH+]2CCC3(CCC3)CC2)c1 ZINC000586783088 1049898606 /nfs/dbraw/zinc/89/86/06/1049898606.db2.gz VKXDSCIITYMKJG-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C#N)cc1F ZINC000586789991 1049900168 /nfs/dbraw/zinc/90/01/68/1049900168.db2.gz WUOVYDLVDQIDIJ-GFCCVEGCSA-N 1 0 318.342 4.086 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](CCc3ccccc3F)CC2)cc1 ZINC001207502325 1049900925 /nfs/dbraw/zinc/90/09/25/1049900925.db2.gz VVBSPIWEQRSSIH-UHFFFAOYSA-N 1 0 322.427 4.195 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC001207517287 1049902022 /nfs/dbraw/zinc/90/20/22/1049902022.db2.gz NVEJBAWCKFWVIF-UHFFFAOYSA-N 1 0 308.400 4.119 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2O ZINC000571137908 1049923097 /nfs/dbraw/zinc/92/30/97/1049923097.db2.gz JKMFDLPQPDJRKW-VQTJNVASSA-N 1 0 318.420 4.308 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2cccc(F)c2C#N)C2CCC2)cc1 ZINC001207719954 1049930849 /nfs/dbraw/zinc/93/08/49/1049930849.db2.gz SKPBYRPZNXGGLD-FQEVSTJZSA-N 1 0 324.399 4.337 20 30 DIEDRO CC1(C#N)CC[NH+](CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001207845869 1049945384 /nfs/dbraw/zinc/94/53/84/1049945384.db2.gz PIRRYBMXKMNJIQ-UHFFFAOYSA-N 1 0 310.363 4.264 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC2(CCC(=O)O2)CC1 ZINC001207899207 1049949782 /nfs/dbraw/zinc/94/97/82/1049949782.db2.gz PTOOIBYPQDPMQZ-UHFFFAOYSA-N 1 0 307.478 4.465 20 30 DIEDRO C=CCCCCCCCCC[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001207900240 1049952011 /nfs/dbraw/zinc/95/20/11/1049952011.db2.gz ZVWTYAYTLOYARW-LJQANCHMSA-N 1 0 307.478 4.465 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001207899587 1049953300 /nfs/dbraw/zinc/95/33/00/1049953300.db2.gz HKFJFMNQCVYJEC-UHFFFAOYSA-N 1 0 322.493 4.258 20 30 DIEDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000156721478 1049968962 /nfs/dbraw/zinc/96/89/62/1049968962.db2.gz FLCRSVKJASWOFK-RTWAWAEBSA-N 1 0 320.436 4.046 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CCCC1CCCC1)C2 ZINC001208088902 1049972329 /nfs/dbraw/zinc/97/23/29/1049972329.db2.gz VFINBQKLVYIIPH-PMACEKPBSA-N 1 0 321.505 4.031 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CCCC1CCCC1)C2 ZINC001208088905 1049972718 /nfs/dbraw/zinc/97/27/18/1049972718.db2.gz VFINBQKLVYIIPH-WOJBJXKFSA-N 1 0 321.505 4.031 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Br)s1 ZINC000588232181 1049976798 /nfs/dbraw/zinc/97/67/98/1049976798.db2.gz QOGVAHZSBLMRHY-JTQLQIEISA-N 1 0 315.280 4.491 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2CCCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC001208176580 1049981490 /nfs/dbraw/zinc/98/14/90/1049981490.db2.gz HXEBKPNEZNXREH-WOJBJXKFSA-N 1 0 302.506 4.239 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3nc(Cl)ccc3C2)CC1 ZINC001208177463 1049981589 /nfs/dbraw/zinc/98/15/89/1049981589.db2.gz SPTZAOZRORGWDP-OAHLLOKOSA-N 1 0 302.849 4.396 20 30 DIEDRO COC(C)(C)CCC[C@H](C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001208217573 1049986325 /nfs/dbraw/zinc/98/63/25/1049986325.db2.gz JDADXATZTLCBPO-XLAORIBOSA-N 1 0 306.494 4.374 20 30 DIEDRO C=CC[N@@H+](CCc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC001208759850 1050007989 /nfs/dbraw/zinc/00/79/89/1050007989.db2.gz ZFUQZVDKPAWOQU-UHFFFAOYSA-N 1 0 303.446 4.067 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](CCCc2cccc(Br)c2)CC1 ZINC001208825186 1050012670 /nfs/dbraw/zinc/01/26/70/1050012670.db2.gz ANLOGHBAKKJKAP-HNNXBMFYSA-N 1 0 321.262 4.007 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001208825952 1050012776 /nfs/dbraw/zinc/01/27/76/1050012776.db2.gz PHVVJCOHDJRBML-OAHLLOKOSA-N 1 0 321.262 4.007 20 30 DIEDRO C[N@H+](CCCCCOCc1ccccc1)Cc1cccc(C#N)c1 ZINC001208815040 1050013170 /nfs/dbraw/zinc/01/31/70/1050013170.db2.gz NPJWFWMDYQDEON-UHFFFAOYSA-N 1 0 322.452 4.377 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982936 1050015709 /nfs/dbraw/zinc/01/57/09/1050015709.db2.gz WOMNURDNDVKOBW-IYBDPMFKSA-N 1 0 310.363 4.420 20 30 DIEDRO N#Cc1cccc(CCC[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC001208853532 1050016992 /nfs/dbraw/zinc/01/69/92/1050016992.db2.gz PJVGWAOPVCQKOD-HXUWFJFHSA-N 1 0 322.477 4.281 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001208857546 1050017106 /nfs/dbraw/zinc/01/71/06/1050017106.db2.gz GOCMLKDORUDCHW-OAQYLSRUSA-N 1 0 304.437 4.370 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCc2cccc(C#N)c2)cc1 ZINC001208851875 1050017345 /nfs/dbraw/zinc/01/73/45/1050017345.db2.gz FMKJPZDCSCYBTA-OAQYLSRUSA-N 1 0 320.436 4.337 20 30 DIEDRO N#Cc1cccc(CCC[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001208851220 1050017386 /nfs/dbraw/zinc/01/73/86/1050017386.db2.gz ULQPKIAKBYROFC-GOSISDBHSA-N 1 0 300.421 4.095 20 30 DIEDRO N#Cc1ccc(CCC[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC001208855630 1050017772 /nfs/dbraw/zinc/01/77/72/1050017772.db2.gz DMSJSMRFLWPLHL-UHFFFAOYSA-N 1 0 304.437 4.370 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@@H]2c2ccccc2F)cc1 ZINC001208858388 1050017926 /nfs/dbraw/zinc/01/79/26/1050017926.db2.gz KUVIMOKEQUTWFW-HXUWFJFHSA-N 1 0 308.400 4.467 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC001208863078 1050018856 /nfs/dbraw/zinc/01/88/56/1050018856.db2.gz VSUIKNRKTBGIGP-IBGZPJMESA-N 1 0 308.400 4.119 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)CCCc2ccc(C#N)cc2)cc1 ZINC001208862710 1050019056 /nfs/dbraw/zinc/01/90/56/1050019056.db2.gz OMQPDAPSYZTQLV-INIZCTEOSA-N 1 0 308.425 4.192 20 30 DIEDRO C[C@@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)c1ccc(C#N)cc1 ZINC000589168148 1050021941 /nfs/dbraw/zinc/02/19/41/1050021941.db2.gz PYNNRZMQROKHMY-MRUCEZMOSA-N 1 0 312.363 4.433 20 30 DIEDRO N#Cc1ccc(CC[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC001208926531 1050022938 /nfs/dbraw/zinc/02/29/38/1050022938.db2.gz UYIJIBSOQGSPJH-UHFFFAOYSA-N 1 0 308.400 4.119 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2c(F)cccc2F)cc1 ZINC001208928407 1050024186 /nfs/dbraw/zinc/02/41/86/1050024186.db2.gz BUFRPUIYZCOLTA-GOSISDBHSA-N 1 0 312.363 4.216 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000589300384 1050026108 /nfs/dbraw/zinc/02/61/08/1050026108.db2.gz SAUXNLVYVAMDSN-MOPGFXCFSA-N 1 0 324.468 4.021 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337120 1050027278 /nfs/dbraw/zinc/02/72/78/1050027278.db2.gz IDZBPIUOCQJCBE-JLTOFOAXSA-N 1 0 306.409 4.295 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589337126 1050027511 /nfs/dbraw/zinc/02/75/11/1050027511.db2.gz IDZBPIUOCQJCBE-VBKZILBWSA-N 1 0 306.409 4.295 20 30 DIEDRO COCCC1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCCCC1 ZINC000589344145 1050028420 /nfs/dbraw/zinc/02/84/20/1050028420.db2.gz YHLDXGJJNIJUJG-IBGZPJMESA-N 1 0 312.457 4.122 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2Cc3ccccc32)c(C(F)(F)F)c1 ZINC000589311278 1050028582 /nfs/dbraw/zinc/02/85/82/1050028582.db2.gz DZFYICBLYPALHZ-OAHLLOKOSA-N 1 0 316.326 4.007 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC(c3ccccc3)C1)CC2 ZINC000589344158 1050028830 /nfs/dbraw/zinc/02/88/30/1050028830.db2.gz AYXKRWDDKPIUMI-IOYBJCICSA-N 1 0 302.421 4.329 20 30 DIEDRO C[C@H](C1CC1)[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000589495997 1050037696 /nfs/dbraw/zinc/03/76/96/1050037696.db2.gz XGCNRNHARDBQFQ-LLVKDONJSA-N 1 0 308.347 4.340 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c(C(F)(F)F)c1 ZINC000589498023 1050037954 /nfs/dbraw/zinc/03/79/54/1050037954.db2.gz LURNLSYUELJXRY-AWEZNQCLSA-N 1 0 320.314 4.160 20 30 DIEDRO C=CCCC[NH+]1CCC(C(=O)c2cnc3ccccc3c2)CC1 ZINC001209164431 1050040353 /nfs/dbraw/zinc/04/03/53/1050040353.db2.gz CNLHMQIMVNVEGI-UHFFFAOYSA-N 1 0 308.425 4.096 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC001209157008 1050040417 /nfs/dbraw/zinc/04/04/17/1050040417.db2.gz NHRUSFCDTROEOZ-QGZVFWFLSA-N 1 0 300.446 4.063 20 30 DIEDRO C=CCCC[NH+]1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001209164664 1050040661 /nfs/dbraw/zinc/04/06/61/1050040661.db2.gz GBWXZYDCIICOAR-UHFFFAOYSA-N 1 0 309.457 4.233 20 30 DIEDRO C=CCCC[NH+]1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001209156905 1050041153 /nfs/dbraw/zinc/04/11/53/1050041153.db2.gz JQDCRFHUASGRDN-UHFFFAOYSA-N 1 0 322.493 4.066 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CCC3)CC2)c(C(F)(F)F)c1 ZINC000589518489 1050042424 /nfs/dbraw/zinc/04/24/24/1050042424.db2.gz PZLUWONVFHFLPR-UHFFFAOYSA-N 1 0 308.347 4.343 20 30 DIEDRO C=CCCCC[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001209202168 1050043577 /nfs/dbraw/zinc/04/35/77/1050043577.db2.gz AZPVKAHTTHXTSQ-VQTJNVASSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001209202216 1050044093 /nfs/dbraw/zinc/04/40/93/1050044093.db2.gz CIMSTOFCCSTKTD-HXUWFJFHSA-N 1 0 316.464 4.222 20 30 DIEDRO C=CCCCC[NH+]1CCC(N(C)Cc2ccccc2F)CC1 ZINC001209206857 1050044399 /nfs/dbraw/zinc/04/43/99/1050044399.db2.gz CBELISKRZSABCN-UHFFFAOYSA-N 1 0 304.453 4.078 20 30 DIEDRO C=CCCCC[NH+]1CCC2(CC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001209208416 1050045033 /nfs/dbraw/zinc/04/50/33/1050045033.db2.gz UGGPKGCUHJMCOT-MRXNPFEDSA-N 1 0 322.493 4.112 20 30 DIEDRO N#CCC[N@@H+](Cc1ccc(Cl)cc1)CC1Cc2ccccc2C1 ZINC001209322383 1050052344 /nfs/dbraw/zinc/05/23/44/1050052344.db2.gz JLHMRBJWUMCRRV-UHFFFAOYSA-N 1 0 324.855 4.471 20 30 DIEDRO C=CC[N@@H+](CCCCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001209368821 1050053101 /nfs/dbraw/zinc/05/31/01/1050053101.db2.gz UZCBOZBGZQOKFM-UHFFFAOYSA-N 1 0 310.482 4.112 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000589742357 1050056876 /nfs/dbraw/zinc/05/68/76/1050056876.db2.gz LROANMWAPQVKIG-FQEVSTJZSA-N 1 0 324.472 4.141 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209423114 1050057122 /nfs/dbraw/zinc/05/71/22/1050057122.db2.gz GBIOOEHOBSRQIH-LJQANCHMSA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@H]2C[C@H](c3nc(C)cs3)O[C@@H]2C1 ZINC001209423300 1050057417 /nfs/dbraw/zinc/05/74/17/1050057417.db2.gz RPTRPXHWCBQXOY-GVDBMIGSSA-N 1 0 320.502 4.350 20 30 DIEDRO C=CCCCCCN1CCc2nc(Br)sc2C1 ZINC001209427561 1050057651 /nfs/dbraw/zinc/05/76/51/1050057651.db2.gz SPEBOEHDLYCSAV-UHFFFAOYSA-N 1 0 315.280 4.010 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001209428563 1050057667 /nfs/dbraw/zinc/05/76/67/1050057667.db2.gz LSCIMOIIRCQZFO-INIZCTEOSA-N 1 0 310.482 4.112 20 30 DIEDRO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001209427353 1050057684 /nfs/dbraw/zinc/05/76/84/1050057684.db2.gz ORLLSAJHCHUHST-BJWYYQGGSA-N 1 0 322.493 4.253 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001209423390 1050057955 /nfs/dbraw/zinc/05/79/55/1050057955.db2.gz NWNACIVREMZXAP-DLBZAZTESA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(CC[C@@H](COC(C)=O)C2)CC1 ZINC001209433144 1050058578 /nfs/dbraw/zinc/05/85/78/1050058578.db2.gz QSLRNHISFKWWER-GOSISDBHSA-N 1 0 307.478 4.178 20 30 DIEDRO C=CCCCCCCC[N@@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001209440612 1050059319 /nfs/dbraw/zinc/05/93/19/1050059319.db2.gz ANQWTRSLCFFFJT-UHFFFAOYSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001209440602 1050059363 /nfs/dbraw/zinc/05/93/63/1050059363.db2.gz FXRJESCTGBJBFW-RTBURBONSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCC[C@@]2(C[C@H](OCC)CO2)C1 ZINC001209441066 1050059384 /nfs/dbraw/zinc/05/93/84/1050059384.db2.gz GXPWEMDJZPDILR-RBUKOAKNSA-N 1 0 309.494 4.173 20 30 DIEDRO C=CCCCCCC[N@H+]1CCC[C@H](c2nc(CCC)no2)C1 ZINC001209440202 1050059683 /nfs/dbraw/zinc/05/96/83/1050059683.db2.gz FJRJTXMBLFBOTP-INIZCTEOSA-N 1 0 305.466 4.338 20 30 DIEDRO C=CCCCCCC[N@H+]1CCC[C@@]2(C[C@@H](CCOC)CO2)C1 ZINC001209436409 1050059716 /nfs/dbraw/zinc/05/97/16/1050059716.db2.gz VUJJPWUWICJLNE-RTBURBONSA-N 1 0 309.494 4.031 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001209435595 1050059753 /nfs/dbraw/zinc/05/97/53/1050059753.db2.gz LRNZDABVEAZPCN-IBGZPJMESA-N 1 0 321.505 4.173 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(NC(=O)C2CCCC2)CC1 ZINC001209438184 1050059891 /nfs/dbraw/zinc/05/98/91/1050059891.db2.gz BHDWNCMDUGSYNJ-UHFFFAOYSA-N 1 0 320.521 4.284 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCCn2cnc(COCC)c2C1 ZINC001209441942 1050060509 /nfs/dbraw/zinc/06/05/09/1050060509.db2.gz QOEQJRUXYXHCQW-UHFFFAOYSA-N 1 0 319.493 4.152 20 30 DIEDRO C=CCCCCCCCC[NH+]1CC(N2CCC(F)(F)CC2)C1 ZINC001209445036 1050060603 /nfs/dbraw/zinc/06/06/03/1050060603.db2.gz DIDLPXIBWVPLRM-UHFFFAOYSA-N 1 0 314.464 4.318 20 30 DIEDRO C=CCCCCCCCC[N@@H+]1CCC[C@]2(CCC(=O)N2)[C@H]1CC ZINC001209442716 1050060818 /nfs/dbraw/zinc/06/08/18/1050060818.db2.gz COATVLWHOZPBAW-QUCCMNQESA-N 1 0 320.521 4.426 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000589937820 1050068511 /nfs/dbraw/zinc/06/85/11/1050068511.db2.gz YXIUYDNFNKCSOG-NRFANRHFSA-N 1 0 302.421 4.214 20 30 DIEDRO Cc1cc(Cl)ncc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001209634402 1050072525 /nfs/dbraw/zinc/07/25/25/1050072525.db2.gz PZOODQWHJORTSN-UHFFFAOYSA-N 1 0 324.855 4.307 20 30 DIEDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590028555 1050072580 /nfs/dbraw/zinc/07/25/80/1050072580.db2.gz MDDIDFBXFVMDBP-MRXNPFEDSA-N 1 0 302.487 4.063 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)nc1 ZINC000590068591 1050076366 /nfs/dbraw/zinc/07/63/66/1050076366.db2.gz CVEYSHHKMNPSHU-LJQANCHMSA-N 1 0 309.413 4.005 20 30 DIEDRO COc1cccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1F ZINC000590069264 1050076616 /nfs/dbraw/zinc/07/66/16/1050076616.db2.gz MPTBMUTVGVPPCS-QGZVFWFLSA-N 1 0 312.388 4.359 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(F)c(Br)c1 ZINC000590194041 1050081490 /nfs/dbraw/zinc/08/14/90/1050081490.db2.gz XSROHGDCCGUYLZ-SNVBAGLBSA-N 1 0 313.214 4.179 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000590244534 1050082539 /nfs/dbraw/zinc/08/25/39/1050082539.db2.gz AGMXKAFZVQDIFA-KUHUBIRLSA-N 1 0 322.408 4.147 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccccc1 ZINC000590257851 1050083755 /nfs/dbraw/zinc/08/37/55/1050083755.db2.gz LPVKEWOOIUTQAN-MOPGFXCFSA-N 1 0 305.425 4.484 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000590258013 1050084292 /nfs/dbraw/zinc/08/42/92/1050084292.db2.gz ZOPLOEHEMHZWAP-FPOVZHCZSA-N 1 0 319.452 4.290 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2cc(OC)ccc2C#N)cc1 ZINC001209823802 1050089802 /nfs/dbraw/zinc/08/98/02/1050089802.db2.gz LNDVHWNYUCBTDD-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ccc(F)c(C#N)c2F)cc1 ZINC001209823791 1050090125 /nfs/dbraw/zinc/09/01/25/1050090125.db2.gz LEVFKMFPEIVZEO-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000572952788 1050095682 /nfs/dbraw/zinc/09/56/82/1050095682.db2.gz JIVCLYLAYDAZHW-YOEHRIQHSA-N 1 0 301.409 4.336 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCCC1(F)F ZINC000590778820 1050106476 /nfs/dbraw/zinc/10/64/76/1050106476.db2.gz AJJQLKSNQWOBRO-DOTOQJQBSA-N 1 0 304.384 4.351 20 30 DIEDRO Cc1cc(N)[nH+]cc1Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC001209971899 1050114290 /nfs/dbraw/zinc/11/42/90/1050114290.db2.gz DDWHDCNOULUBQG-UHFFFAOYSA-N 1 0 316.364 4.380 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC000573015958 1050116386 /nfs/dbraw/zinc/11/63/86/1050116386.db2.gz CTRDCCAJVWOWKU-ZDUSSCGKSA-N 1 0 319.861 4.262 20 30 DIEDRO COc1cccc(Nc2ccccc2C[NH+]2CCCCC2)c1C#N ZINC001210123580 1050140084 /nfs/dbraw/zinc/14/00/84/1050140084.db2.gz SPIGUVJUZUVTLV-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000591348838 1050141100 /nfs/dbraw/zinc/14/11/00/1050141100.db2.gz IPLOTMFWGIYBRN-MGPUTAFESA-N 1 0 305.425 4.298 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N=Nc3ncccc3Cl)CC2)C1 ZINC000733747182 1050150530 /nfs/dbraw/zinc/15/05/30/1050150530.db2.gz LDSCAUXCXXEOGT-HIFRSBDPSA-N 1 0 320.868 4.177 20 30 DIEDRO C=CCOCCC[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000348024888 1050167434 /nfs/dbraw/zinc/16/74/34/1050167434.db2.gz CNAIZEHYGQZAIB-OAHLLOKOSA-N 1 0 308.491 4.039 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC12CCSCC2 ZINC000591532465 1050167811 /nfs/dbraw/zinc/16/78/11/1050167811.db2.gz UGGAVCPTHBVLOA-SJLPKXTDSA-N 1 0 312.482 4.059 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000760837233 1050168302 /nfs/dbraw/zinc/16/83/02/1050168302.db2.gz XDIBCXPLSMLTMP-BBRMVZONSA-N 1 0 313.363 4.169 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000591578399 1050176299 /nfs/dbraw/zinc/17/62/99/1050176299.db2.gz YWJWKMWTUTZRHV-LEWJYISDSA-N 1 0 317.436 4.185 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2c1CCCN2 ZINC000591579256 1050176591 /nfs/dbraw/zinc/17/65/91/1050176591.db2.gz CYKGYPPMLWKSCM-OAQYLSRUSA-N 1 0 317.436 4.084 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760844528 1050178945 /nfs/dbraw/zinc/17/89/45/1050178945.db2.gz QQCMBHDPYBMOBY-UHFFFAOYSA-N 1 0 304.434 4.432 20 30 DIEDRO N#CCC[N@H+](C1CCCC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171045116 1050182512 /nfs/dbraw/zinc/18/25/12/1050182512.db2.gz RBEGUAHPKKDWCB-MRXNPFEDSA-N 1 0 302.849 4.356 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000378906397 1050192668 /nfs/dbraw/zinc/19/26/68/1050192668.db2.gz ZFYXHDCWLYYEOT-MRXNPFEDSA-N 1 0 310.526 4.362 20 30 DIEDRO Cc1cc2cc(NC(=N)c3ccc4ccccc4n3)ccc2c[nH+]1 ZINC001171050953 1050193362 /nfs/dbraw/zinc/19/33/62/1050193362.db2.gz DDRSYQMSVHFGLV-UHFFFAOYSA-N 1 0 312.376 4.128 20 30 DIEDRO C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000734005152 1050213438 /nfs/dbraw/zinc/21/34/38/1050213438.db2.gz XWBBNDTZEXAWRD-MJGOQNOKSA-N 1 0 313.489 4.342 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC001136901694 1050228214 /nfs/dbraw/zinc/22/82/14/1050228214.db2.gz LVCZSSBNBATGTM-MRXNPFEDSA-N 1 0 322.880 4.051 20 30 DIEDRO Cc1cc(C#N)cc(Nc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001210389606 1050228100 /nfs/dbraw/zinc/22/81/00/1050228100.db2.gz KCMMYMLFPLFGAC-UHFFFAOYSA-N 1 0 321.424 4.085 20 30 DIEDRO CCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1O ZINC000824650788 1050230387 /nfs/dbraw/zinc/23/03/87/1050230387.db2.gz WTHKGOLHPNBSDL-UHFFFAOYSA-N 1 0 320.436 4.360 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000591885921 1050235640 /nfs/dbraw/zinc/23/56/40/1050235640.db2.gz HSKZMAWYTLJWJJ-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824955778 1050259815 /nfs/dbraw/zinc/25/98/15/1050259815.db2.gz ZFDAAXOTAQMXKN-QXAKKESOSA-N 1 0 302.462 4.416 20 30 DIEDRO Cc1ccc(C#N)cc1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001210501035 1050269097 /nfs/dbraw/zinc/26/90/97/1050269097.db2.gz LJFIVGGKGDPLCF-UHFFFAOYSA-N 1 0 305.425 4.420 20 30 DIEDRO N#CCCC1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000592135989 1050271556 /nfs/dbraw/zinc/27/15/56/1050271556.db2.gz VXXSATUFYHSTPX-UHFFFAOYSA-N 1 0 315.848 4.310 20 30 DIEDRO CC(C)(C)OC(=O)C1(C)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000592158344 1050271984 /nfs/dbraw/zinc/27/19/84/1050271984.db2.gz AHJMZRMQUIRCQS-UHFFFAOYSA-N 1 0 322.493 4.150 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000734487372 1050276094 /nfs/dbraw/zinc/27/60/94/1050276094.db2.gz RATMYMKXXZVOPG-XLIONFOSSA-N 1 0 320.436 4.205 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccncc1 ZINC000734509652 1050278646 /nfs/dbraw/zinc/27/86/46/1050278646.db2.gz NPONZFYGZWZUSF-SFHVURJKSA-N 1 0 308.425 4.202 20 30 DIEDRO Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(C#N)cc3)s2)cc1 ZINC000734507608 1050279865 /nfs/dbraw/zinc/27/98/65/1050279865.db2.gz XSACWOLVVFDYDV-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(CSC(F)F)o2)c1 ZINC000825225772 1050283879 /nfs/dbraw/zinc/28/38/79/1050283879.db2.gz AAYJFAWAERJTFA-UHFFFAOYSA-N 1 0 307.365 4.007 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)c1cccc(C#N)c1 ZINC000592392575 1050291948 /nfs/dbraw/zinc/29/19/48/1050291948.db2.gz NMRXVMWOZHVGKF-YOEHRIQHSA-N 1 0 324.449 4.152 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(COc3ccc(F)cc3)cc2)C1 ZINC000592395271 1050292992 /nfs/dbraw/zinc/29/29/92/1050292992.db2.gz VJTIPCDJGMNBBA-PKOBYXMFSA-N 1 0 324.399 4.187 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(CC#N)cc1 ZINC000592391466 1050296131 /nfs/dbraw/zinc/29/61/31/1050296131.db2.gz WBFAMOZWBQUGQR-HXUWFJFHSA-N 1 0 320.436 4.273 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000771894403 1050298588 /nfs/dbraw/zinc/29/85/88/1050298588.db2.gz XGQQUGDIBVLHQD-FQEVSTJZSA-N 1 0 309.384 4.005 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171085063 1050299553 /nfs/dbraw/zinc/29/95/53/1050299553.db2.gz DRXCCWUEVRIVLF-IUODEOHRSA-N 1 0 323.267 4.476 20 30 DIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(/N=C/c2ccccc2O)CC1 ZINC000734749507 1050307672 /nfs/dbraw/zinc/30/76/72/1050307672.db2.gz CUJGIANGHIGGSQ-WASCAKKMSA-N 1 0 308.425 4.037 20 30 DIEDRO C=CC[NH+](CC=C)CCOC(c1ccccc1)c1ccccc1 ZINC000058505978 1050311735 /nfs/dbraw/zinc/31/17/35/1050311735.db2.gz TXKJINNAUITDDD-UHFFFAOYSA-N 1 0 307.437 4.467 20 30 DIEDRO COc1ccc(C[N@H+](C)CCC(C)(C)C)cc1OCCCC#N ZINC000592524284 1050315280 /nfs/dbraw/zinc/31/52/80/1050315280.db2.gz XBDMVVLBBJCYCV-UHFFFAOYSA-N 1 0 318.461 4.246 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Br)c(C)cn1)C1CCCCC1 ZINC001143667879 1050329822 /nfs/dbraw/zinc/32/98/22/1050329822.db2.gz CYXQOVPXFRFTGO-UHFFFAOYSA-N 1 0 323.278 4.473 20 30 DIEDRO N#Cc1ccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC001210709425 1050343200 /nfs/dbraw/zinc/34/32/00/1050343200.db2.gz WMNNTJDCMKAXIA-OAHLLOKOSA-N 1 0 301.821 4.156 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000735086653 1050344389 /nfs/dbraw/zinc/34/43/89/1050344389.db2.gz QTSOSBWPAPCCLJ-GFCCVEGCSA-N 1 0 321.827 4.087 20 30 DIEDRO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001143725995 1050345036 /nfs/dbraw/zinc/34/50/36/1050345036.db2.gz ATZSXGROADBBOB-MRXNPFEDSA-N 1 0 310.828 4.276 20 30 DIEDRO CC(C)(C#N)c1cccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001210714082 1050346033 /nfs/dbraw/zinc/34/60/33/1050346033.db2.gz JOIUPPQYLIKLOB-IBGZPJMESA-N 1 0 309.457 4.432 20 30 DIEDRO CC(C)(C#N)c1ccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC001210714132 1050346039 /nfs/dbraw/zinc/34/60/39/1050346039.db2.gz KWSWKLXXFHQEJW-LJQANCHMSA-N 1 0 309.457 4.432 20 30 DIEDRO N#Cc1cccc(Cl)c1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001143731358 1050348688 /nfs/dbraw/zinc/34/86/88/1050348688.db2.gz UXVBHVAZUMSBRG-UHFFFAOYSA-N 1 0 306.812 4.316 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4cc(Cl)ccc4C3)CC2)cc1 ZINC001171105334 1050357064 /nfs/dbraw/zinc/35/70/64/1050357064.db2.gz SKEINADYLDOOEP-IBGZPJMESA-N 1 0 322.839 4.348 20 30 DIEDRO N#CCc1ccc(-c2cc(C[NH+]3CCCC3)ccc2F)s1 ZINC000592987364 1050360186 /nfs/dbraw/zinc/36/01/86/1050360186.db2.gz ZCRVQGJYQIHHLW-UHFFFAOYSA-N 1 0 300.402 4.216 20 30 DIEDRO N#CC1CCN(Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001143804151 1050366589 /nfs/dbraw/zinc/36/65/89/1050366589.db2.gz ODGBSKPWIMTYPR-UHFFFAOYSA-N 1 0 302.727 4.094 20 30 DIEDRO C[C@H](C1CC1)[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735308921 1050367543 /nfs/dbraw/zinc/36/75/43/1050367543.db2.gz YKVVLBQYMCHSRE-GFCCVEGCSA-N 1 0 304.821 4.005 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000574082062 1050367812 /nfs/dbraw/zinc/36/78/12/1050367812.db2.gz OTCPDTXXRBZCDJ-WWGRRREGSA-N 1 0 313.363 4.337 20 30 DIEDRO C[C@@H]1CC(=O)C=C(Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001210776013 1050367805 /nfs/dbraw/zinc/36/78/05/1050367805.db2.gz KSLAOFKJWXCQEE-INIZCTEOSA-N 1 0 312.457 4.010 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@H+](C1CC1)C1CCCC1 ZINC000735308925 1050368413 /nfs/dbraw/zinc/36/84/13/1050368413.db2.gz YPRRAEIUSYOETO-UHFFFAOYSA-N 1 0 304.821 4.149 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@@H]2CCc3cc(Cl)ccc3C2)cc1C ZINC001171110475 1050371061 /nfs/dbraw/zinc/37/10/61/1050371061.db2.gz CFYOCZJDLJCGCE-GOSISDBHSA-N 1 0 312.844 4.220 20 30 DIEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735308750 1050374318 /nfs/dbraw/zinc/37/43/18/1050374318.db2.gz RDLOBBRAPCGCFY-XJKSGUPXSA-N 1 0 306.837 4.253 20 30 DIEDRO N#CCCC1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000574197318 1050376726 /nfs/dbraw/zinc/37/67/26/1050376726.db2.gz RUBFYUUKLXTIIV-UHFFFAOYSA-N 1 0 302.487 4.326 20 30 DIEDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)cc1 ZINC000593085482 1050380856 /nfs/dbraw/zinc/38/08/56/1050380856.db2.gz WQVHYZWNAOMDOC-SFHVURJKSA-N 1 0 314.473 4.422 20 30 DIEDRO C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(OCC#N)cc2)c1 ZINC000844231366 1050381505 /nfs/dbraw/zinc/38/15/05/1050381505.db2.gz RETWXLNPVRTSJD-INIZCTEOSA-N 1 0 306.409 4.240 20 30 DIEDRO CC1(C)Cc2cc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000785615671 1050399486 /nfs/dbraw/zinc/39/94/86/1050399486.db2.gz RZOYJWCQFBCNKD-LJQANCHMSA-N 1 0 318.420 4.049 20 30 DIEDRO COC[C@H](CC(C)(C)C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000593630344 1050428896 /nfs/dbraw/zinc/42/88/96/1050428896.db2.gz VBQXLHOMIMZJBW-ZWKOTPCHSA-N 1 0 302.462 4.462 20 30 DIEDRO CC[C@H](OCC[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000593664652 1050432159 /nfs/dbraw/zinc/43/21/59/1050432159.db2.gz RVCTYPUNNIFLQO-XBMUEBEBSA-N 1 0 300.446 4.216 20 30 DIEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593673735 1050435004 /nfs/dbraw/zinc/43/50/04/1050435004.db2.gz IMHVKGODMRYFQG-XPKDYRNWSA-N 1 0 302.393 4.100 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CCC([NH+](C)C)CC1 ZINC000735882507 1050435113 /nfs/dbraw/zinc/43/51/13/1050435113.db2.gz WPQHLJRXYSCBHL-SEYXRHQNSA-N 1 0 308.510 4.236 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC001144025641 1050442451 /nfs/dbraw/zinc/44/24/51/1050442451.db2.gz WACFUFXJBQJXNI-KRWDZBQOSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CC[C@H](C)C(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001144021182 1050443340 /nfs/dbraw/zinc/44/33/40/1050443340.db2.gz PZKVUCISASBHKH-INIZCTEOSA-N 1 0 320.436 4.353 20 30 DIEDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000786125577 1050456365 /nfs/dbraw/zinc/45/63/65/1050456365.db2.gz NURKJJKCWKIVKU-PXNSSMCTSA-N 1 0 320.436 4.275 20 30 DIEDRO CC#Cc1cncc(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001211057820 1050460872 /nfs/dbraw/zinc/46/08/72/1050460872.db2.gz AJLOQOAVQMPFTR-UHFFFAOYSA-N 1 0 305.425 4.183 20 30 DIEDRO N#CCOc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000736312154 1050466690 /nfs/dbraw/zinc/46/66/90/1050466690.db2.gz FFOKFBOXAHKCQG-UHFFFAOYSA-N 1 0 324.399 4.108 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594026113 1050469224 /nfs/dbraw/zinc/46/92/24/1050469224.db2.gz CXGXEKRXMWNIJG-LJQANCHMSA-N 1 0 312.457 4.021 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1 ZINC000594053080 1050473340 /nfs/dbraw/zinc/47/33/40/1050473340.db2.gz OUHQRIMKLVGJSX-UHFFFAOYSA-N 1 0 320.436 4.455 20 30 DIEDRO CCCN(CCC)c1ccc(C=[NH+]OCc2cccnc2)cc1 ZINC000746586030 1050482891 /nfs/dbraw/zinc/48/28/91/1050482891.db2.gz QETFNYFKFVLHGL-UHFFFAOYSA-N 1 0 311.429 4.259 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)o1 ZINC001171147156 1050484719 /nfs/dbraw/zinc/48/47/19/1050484719.db2.gz CRGLWBIBYKVUET-LBPRGKRZSA-N 1 0 321.207 4.105 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCCCCCC1)C(C)C ZINC001144198150 1050491615 /nfs/dbraw/zinc/49/16/15/1050491615.db2.gz VSRJNQPKQMRLOI-IBGZPJMESA-N 1 0 320.521 4.162 20 30 DIEDRO C=CCC[N@@H+](Cc1[nH]nc2ccc(F)cc21)Cc1ccccc1 ZINC001144199315 1050492251 /nfs/dbraw/zinc/49/22/51/1050492251.db2.gz CTIHPSDXXLIWQH-UHFFFAOYSA-N 1 0 309.388 4.280 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(C(F)(F)F)cc2C#N)c1 ZINC001211139077 1050493189 /nfs/dbraw/zinc/49/31/89/1050493189.db2.gz VHYFSDNZVUPOCO-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(C3(C#N)CCCC3)cc2)c1 ZINC001211139547 1050493691 /nfs/dbraw/zinc/49/36/91/1050493691.db2.gz KZHJUAWHALAFHG-UHFFFAOYSA-N 1 0 305.425 4.485 20 30 DIEDRO CC(C)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cccnc1 ZINC000594498751 1050518320 /nfs/dbraw/zinc/51/83/20/1050518320.db2.gz VKHUWPMOPALXQM-HXUWFJFHSA-N 1 0 321.468 4.412 20 30 DIEDRO C=CCCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001171154621 1050518371 /nfs/dbraw/zinc/51/83/71/1050518371.db2.gz AXBZVPDWCBSVLF-HNNXBMFYSA-N 1 0 310.482 4.110 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000594497867 1050518500 /nfs/dbraw/zinc/51/85/00/1050518500.db2.gz JYVGQKXJEIBSIV-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000594498767 1050518864 /nfs/dbraw/zinc/51/88/64/1050518864.db2.gz WCJKLLVJKGAKEZ-GOSISDBHSA-N 1 0 312.457 4.069 20 30 DIEDRO CCOc1cccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594496021 1050519215 /nfs/dbraw/zinc/51/92/15/1050519215.db2.gz XGKHFSFLGLWYJL-UHFFFAOYSA-N 1 0 308.425 4.176 20 30 DIEDRO Cc1ccc(NCc2ccc(C(C)(C)C#N)cc2)c(C[NH+](C)C)c1 ZINC000594505250 1050520772 /nfs/dbraw/zinc/52/07/72/1050520772.db2.gz RSLJEKUREBZGGJ-UHFFFAOYSA-N 1 0 321.468 4.470 20 30 DIEDRO CO[C@](C)(C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594506916 1050521239 /nfs/dbraw/zinc/52/12/39/1050521239.db2.gz HHZJDKWASSMDIU-OAQYLSRUSA-N 1 0 322.452 4.139 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594504867 1050521697 /nfs/dbraw/zinc/52/16/97/1050521697.db2.gz MSPFAVZYRHORMP-UHFFFAOYSA-N 1 0 321.468 4.470 20 30 DIEDRO CCCCCCCCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000737958609 1050522395 /nfs/dbraw/zinc/52/23/95/1050522395.db2.gz BBKPSBJFXDFNHY-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594515307 1050525115 /nfs/dbraw/zinc/52/51/15/1050525115.db2.gz MYIDZVNESYLRTA-QGZVFWFLSA-N 1 0 302.462 4.029 20 30 DIEDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594516887 1050525830 /nfs/dbraw/zinc/52/58/30/1050525830.db2.gz HDWIRZAWHORKIQ-LIRRHRJNSA-N 1 0 306.409 4.100 20 30 DIEDRO CCO[C@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000594512285 1050526059 /nfs/dbraw/zinc/52/60/59/1050526059.db2.gz JDXGVSZHRHDJLD-GOSISDBHSA-N 1 0 302.462 4.029 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cnn(C(C)(C)C)c1C)c1ccncc1 ZINC000786910361 1050526703 /nfs/dbraw/zinc/52/67/03/1050526703.db2.gz DTFUEHSHQVAILW-RDTXWAMCSA-N 1 0 312.461 4.310 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cc4ccccc4[nH]3)CCC2)cc1 ZINC000594517905 1050527277 /nfs/dbraw/zinc/52/72/77/1050527277.db2.gz CZQRIUNSQKCNJR-UHFFFAOYSA-N 1 0 301.393 4.209 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(Cl)cn1 ZINC000594519605 1050527339 /nfs/dbraw/zinc/52/73/39/1050527339.db2.gz WYPNILQSNVFHEJ-CYBMUJFWSA-N 1 0 311.816 4.337 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594519778 1050527919 /nfs/dbraw/zinc/52/79/19/1050527919.db2.gz LKOGAQTVKBANRV-PKOBYXMFSA-N 1 0 310.441 4.017 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCCc4ccc(O)cc43)CCC2)cc1 ZINC000594519201 1050528042 /nfs/dbraw/zinc/52/80/42/1050528042.db2.gz VJDDLZOYJKIBCI-FQEVSTJZSA-N 1 0 318.420 4.310 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4cc(F)ccc43)CCC2)cc1 ZINC000594517550 1050528225 /nfs/dbraw/zinc/52/82/25/1050528225.db2.gz YOKNNNUZCIMYLL-IBGZPJMESA-N 1 0 306.384 4.354 20 30 DIEDRO COc1ccsc1[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517229 1050528268 /nfs/dbraw/zinc/52/82/68/1050528268.db2.gz IQDGOWWDWZQSKP-ZDUSSCGKSA-N 1 0 312.438 4.358 20 30 DIEDRO CC(C)n1cc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594516650 1050528721 /nfs/dbraw/zinc/52/87/21/1050528721.db2.gz SVLSAVYGANNJEN-OAHLLOKOSA-N 1 0 308.429 4.066 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCCc4ccc(O)cc43)CCC2)cc1 ZINC000594519202 1050528749 /nfs/dbraw/zinc/52/87/49/1050528749.db2.gz VJDDLZOYJKIBCI-HXUWFJFHSA-N 1 0 318.420 4.310 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C3CCC4(CCCO4)CC3)CCC2)cc1 ZINC000594518933 1050529295 /nfs/dbraw/zinc/52/92/95/1050529295.db2.gz RJHPTFKYGHVAJN-UHFFFAOYSA-N 1 0 310.441 4.019 20 30 DIEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594519298 1050530018 /nfs/dbraw/zinc/53/00/18/1050530018.db2.gz JNDDJPMANDXERU-KSSFIOAISA-N 1 0 306.409 4.444 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cnc(C4CC4)s3)CCC2)cc1 ZINC000594520433 1050531435 /nfs/dbraw/zinc/53/14/35/1050531435.db2.gz PQIVUWHHYXNRAX-UHFFFAOYSA-N 1 0 309.438 4.061 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)cc1 ZINC000594525642 1050531602 /nfs/dbraw/zinc/53/16/02/1050531602.db2.gz XSUUVJTYRFCOSC-UHFFFAOYSA-N 1 0 317.436 4.301 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@H]3CCOc4ccccc43)CCC2)cc1 ZINC000594622344 1050541352 /nfs/dbraw/zinc/54/13/52/1050541352.db2.gz FCVUBCRLXPBMND-QGZVFWFLSA-N 1 0 318.420 4.093 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(O)c1C ZINC000787036421 1050542516 /nfs/dbraw/zinc/54/25/16/1050542516.db2.gz YXACXOUYSSIDGB-KUHUBIRLSA-N 1 0 306.409 4.219 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(O)c1C ZINC000787036417 1050543126 /nfs/dbraw/zinc/54/31/26/1050543126.db2.gz YXACXOUYSSIDGB-IFXJQAMLSA-N 1 0 306.409 4.219 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000787034826 1050543473 /nfs/dbraw/zinc/54/34/73/1050543473.db2.gz UEIARZIAIVDSPQ-VBKZILBWSA-N 1 0 306.409 4.295 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000787034105 1050543534 /nfs/dbraw/zinc/54/35/34/1050543534.db2.gz JCRFBWXHBUXGPZ-DZKIICNBSA-N 1 0 308.347 4.256 20 30 DIEDRO CCC[N@H+](CCC#N)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171165280 1050547288 /nfs/dbraw/zinc/54/72/88/1050547288.db2.gz RXQANUUXRQTBCV-AWEZNQCLSA-N 1 0 311.256 4.476 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000065276173 1050559310 /nfs/dbraw/zinc/55/93/10/1050559310.db2.gz FMRIJIVZCRRKSM-UHFFFAOYSA-N 1 0 324.399 4.204 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594916418 1050561093 /nfs/dbraw/zinc/56/10/93/1050561093.db2.gz FBBGZKOJSMOJBC-MRXNPFEDSA-N 1 0 320.436 4.410 20 30 DIEDRO CCOc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000594919636 1050563250 /nfs/dbraw/zinc/56/32/50/1050563250.db2.gz IDOSHFZCPAXDEB-UHFFFAOYSA-N 1 0 324.399 4.069 20 30 DIEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594923070 1050563887 /nfs/dbraw/zinc/56/38/87/1050563887.db2.gz DCRXYPCBQAFXNE-KDOFPFPSSA-N 1 0 306.409 4.248 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCCc3cccc(F)c3)cc2)CC1 ZINC000594922833 1050564140 /nfs/dbraw/zinc/56/41/40/1050564140.db2.gz HQJWCCZHNBJENX-UHFFFAOYSA-N 1 0 308.400 4.103 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000594923178 1050564380 /nfs/dbraw/zinc/56/43/80/1050564380.db2.gz DRXIKBMTWUCMPX-CQSZACIVSA-N 1 0 321.380 4.001 20 30 DIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC1(Cl)Cl ZINC000746660134 1050565304 /nfs/dbraw/zinc/56/53/04/1050565304.db2.gz SRMNKDNSHFQVND-HNNXBMFYSA-N 1 0 311.256 4.210 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594927232 1050565929 /nfs/dbraw/zinc/56/59/29/1050565929.db2.gz ZYYKYAOQWVDQFR-OAHLLOKOSA-N 1 0 306.409 4.101 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cccc(Cl)c2F)no1 ZINC001211436676 1050566339 /nfs/dbraw/zinc/56/63/39/1050566339.db2.gz SLQOYTMXATYMKC-UHFFFAOYSA-N 1 0 321.783 4.028 20 30 DIEDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171178250 1050569464 /nfs/dbraw/zinc/56/94/64/1050569464.db2.gz DTKQGUIOIVGRMB-INIZCTEOSA-N 1 0 317.436 4.126 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001171178390 1050569479 /nfs/dbraw/zinc/56/94/79/1050569479.db2.gz FYBUKYFQAJDRMH-GNHYQHMMSA-N 1 0 321.468 4.273 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1C(F)(F)F ZINC001171175979 1050570170 /nfs/dbraw/zinc/57/01/70/1050570170.db2.gz OFGVZZZWVLMFON-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@@]1(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1(F)F ZINC000594976801 1050573847 /nfs/dbraw/zinc/57/38/47/1050573847.db2.gz GVWRRHPEVPVTKU-CYBMUJFWSA-N 1 0 318.289 4.102 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594932699 1050573972 /nfs/dbraw/zinc/57/39/72/1050573972.db2.gz RZHMALHYKYJDOZ-UHFFFAOYSA-N 1 0 320.436 4.239 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000594935374 1050574915 /nfs/dbraw/zinc/57/49/15/1050574915.db2.gz DHGALBHIZIUVLN-UHFFFAOYSA-N 1 0 315.420 4.055 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594938630 1050575816 /nfs/dbraw/zinc/57/58/16/1050575816.db2.gz MOKIRJFNANZNLI-QZTJIDSGSA-N 1 0 314.498 4.396 20 30 DIEDRO Cc1cccc2[nH]c(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)cc21 ZINC000594935631 1050576029 /nfs/dbraw/zinc/57/60/29/1050576029.db2.gz BMHYWSIUIQFBDR-LJQANCHMSA-N 1 0 301.393 4.125 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001171179256 1050576206 /nfs/dbraw/zinc/57/62/06/1050576206.db2.gz PXPBCZKANJPJJH-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO CC(C)CSCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594939336 1050576347 /nfs/dbraw/zinc/57/63/47/1050576347.db2.gz VPNOSEWTRYPSRN-UHFFFAOYSA-N 1 0 302.487 4.111 20 30 DIEDRO CCO[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594935558 1050576565 /nfs/dbraw/zinc/57/65/65/1050576565.db2.gz ANBQWFLTLDRQNZ-FQEVSTJZSA-N 1 0 320.436 4.109 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171181984 1050577873 /nfs/dbraw/zinc/57/78/73/1050577873.db2.gz RTDLMDQXAFWDCI-MRXNPFEDSA-N 1 0 308.425 4.068 20 30 DIEDRO CCOc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000594941534 1050578851 /nfs/dbraw/zinc/57/88/51/1050578851.db2.gz VCNIZUDIIKGWBW-UHFFFAOYSA-N 1 0 314.816 4.209 20 30 DIEDRO CCOc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(C)c1 ZINC000594950646 1050579446 /nfs/dbraw/zinc/57/94/46/1050579446.db2.gz MFDUZEJKIYDIME-UHFFFAOYSA-N 1 0 320.436 4.434 20 30 DIEDRO Cc1[nH]c2ccc(Nc3ccc(C#N)c(Cl)c3F)cc2[nH+]1 ZINC001213076022 1050579505 /nfs/dbraw/zinc/57/95/05/1050579505.db2.gz ATCDCDBNUDYLKH-UHFFFAOYSA-N 1 0 300.724 4.279 20 30 DIEDRO N#Cc1ccc(CC[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000594955259 1050580350 /nfs/dbraw/zinc/58/03/50/1050580350.db2.gz MFRSLNUYFCINLJ-UHFFFAOYSA-N 1 0 310.363 4.059 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCSCc1ccccc1 ZINC001171183508 1050581768 /nfs/dbraw/zinc/58/17/68/1050581768.db2.gz FQOGVUYZTBCSPF-INIZCTEOSA-N 1 0 310.466 4.012 20 30 DIEDRO C#CCCC[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000792433766 1050584388 /nfs/dbraw/zinc/58/43/88/1050584388.db2.gz VZPDQICBFCAKKC-UHFFFAOYSA-N 1 0 301.739 4.351 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC3(CCCCC3)CC2)cc1 ZINC000787335743 1050586297 /nfs/dbraw/zinc/58/62/97/1050586297.db2.gz NZXHZCQENOWUTC-IBGZPJMESA-N 1 0 312.457 4.028 20 30 DIEDRO COc1cc2ccc([C@H](C)[NH2+]CCCCC#N)cc2cc1OC ZINC000595014415 1050586561 /nfs/dbraw/zinc/58/65/61/1050586561.db2.gz VRFUEVCPUMQBAB-AWEZNQCLSA-N 1 0 312.413 4.201 20 30 DIEDRO N#CC1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CCCCC1 ZINC000594981953 1050587997 /nfs/dbraw/zinc/58/79/97/1050587997.db2.gz WFBMLLUVJIZIBN-UHFFFAOYSA-N 1 0 305.425 4.312 20 30 DIEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000746676298 1050588169 /nfs/dbraw/zinc/58/81/69/1050588169.db2.gz JUXANXPRPSAFGA-XLIONFOSSA-N 1 0 320.436 4.042 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001171189454 1050589845 /nfs/dbraw/zinc/58/98/45/1050589845.db2.gz GKZRCPZYZYEXOX-DJJJIMSYSA-N 1 0 310.828 4.420 20 30 DIEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C12CCC2 ZINC000594989684 1050590633 /nfs/dbraw/zinc/59/06/33/1050590633.db2.gz VTRZOWXTENDUSC-BNQMIIOLSA-N 1 0 304.478 4.175 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1 ZINC000594995205 1050591036 /nfs/dbraw/zinc/59/10/36/1050591036.db2.gz LHJGBLBTYQZVQH-XUVXKRRUSA-N 1 0 320.411 4.055 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055220 1050591894 /nfs/dbraw/zinc/59/18/94/1050591894.db2.gz BFCLTCHVMDVLQW-HNNXBMFYSA-N 1 0 310.466 4.043 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000595058237 1050593831 /nfs/dbraw/zinc/59/38/31/1050593831.db2.gz ZXXZIANSNMYOQZ-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000595059456 1050593994 /nfs/dbraw/zinc/59/39/94/1050593994.db2.gz OTWLUXVUNLFQFB-SECBINFHSA-N 1 0 310.410 4.122 20 30 DIEDRO CC(C)C[N@@H+](CCC#N)CCCOc1ccc2ccccc2c1 ZINC000739914842 1050594241 /nfs/dbraw/zinc/59/42/41/1050594241.db2.gz PBZHLNXQVLUDAP-UHFFFAOYSA-N 1 0 310.441 4.480 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000595058261 1050594457 /nfs/dbraw/zinc/59/44/57/1050594457.db2.gz FZVWJPQUTKJIQK-HNNXBMFYSA-N 1 0 315.486 4.047 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000595059144 1050594563 /nfs/dbraw/zinc/59/45/63/1050594563.db2.gz LSGBRRICALANEL-WMZOPIPTSA-N 1 0 305.487 4.053 20 30 DIEDRO C=CCCSCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000595060141 1050595356 /nfs/dbraw/zinc/59/53/56/1050595356.db2.gz SELOJAHGZJAWIJ-GOSISDBHSA-N 1 0 316.445 4.209 20 30 DIEDRO Cc1ccc2oc(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)cc2c1 ZINC000740003949 1050596427 /nfs/dbraw/zinc/59/64/27/1050596427.db2.gz DTYRUWGIGUWUFN-OAHLLOKOSA-N 1 0 320.392 4.494 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171192953 1050596828 /nfs/dbraw/zinc/59/68/28/1050596828.db2.gz RAEUAAGQUDUOHD-VLIAUNLRSA-N 1 0 324.855 4.290 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000739930056 1050596951 /nfs/dbraw/zinc/59/69/51/1050596951.db2.gz HOUXOVYQUCHYLQ-UHFFFAOYSA-N 1 0 306.837 4.421 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1csc2ccccc12 ZINC001171192893 1050597839 /nfs/dbraw/zinc/59/78/39/1050597839.db2.gz QLXDFJZEQYLQMC-AWEZNQCLSA-N 1 0 306.434 4.494 20 30 DIEDRO C=CCCCCC[N@@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000739930150 1050598103 /nfs/dbraw/zinc/59/81/03/1050598103.db2.gz JALDALRBXWQYHI-INIZCTEOSA-N 1 0 315.379 4.417 20 30 DIEDRO C=CCCCCC[N@@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000739929812 1050598233 /nfs/dbraw/zinc/59/82/33/1050598233.db2.gz GTUVIOOJLCMZBK-INIZCTEOSA-N 1 0 315.379 4.417 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC001171193533 1050599037 /nfs/dbraw/zinc/59/90/37/1050599037.db2.gz XIPMCYVMEMJKQZ-FOIQADDNSA-N 1 0 303.409 4.102 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2ccc(Cl)cc2C1 ZINC001171193316 1050600398 /nfs/dbraw/zinc/60/03/98/1050600398.db2.gz VMZCRQAIGOMXTQ-XOBRGWDASA-N 1 0 324.855 4.290 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2ccc(Cl)cc2C1 ZINC001171193315 1050600421 /nfs/dbraw/zinc/60/04/21/1050600421.db2.gz VMZCRQAIGOMXTQ-VLIAUNLRSA-N 1 0 324.855 4.290 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCC#N)c1cc(F)cc(Br)c1 ZINC000595032323 1050600875 /nfs/dbraw/zinc/60/08/75/1050600875.db2.gz MOPRBSYJMYOJPS-CQSZACIVSA-N 1 0 313.214 4.179 20 30 DIEDRO CC(C)c1ccc(CC[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171195406 1050604708 /nfs/dbraw/zinc/60/47/08/1050604708.db2.gz SOHLLRKNQNTZBS-KRWDZBQOSA-N 1 0 306.453 4.445 20 30 DIEDRO COc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1C ZINC000595108407 1050606938 /nfs/dbraw/zinc/60/69/38/1050606938.db2.gz ZGQJEHASBSSWME-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(C#N)CCCCC3)CC2)C1 ZINC000595092170 1050611585 /nfs/dbraw/zinc/61/15/85/1050611585.db2.gz YHQCQJSINCPHKN-MJGOQNOKSA-N 1 0 317.521 4.093 20 30 DIEDRO Cc1ccccc1CC1(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171197934 1050617989 /nfs/dbraw/zinc/61/79/89/1050617989.db2.gz FJEHDKRIYDSBIC-SFHVURJKSA-N 1 0 318.464 4.410 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001171198007 1050618940 /nfs/dbraw/zinc/61/89/40/1050618940.db2.gz GUCURBNGNQSFBS-CJNGLKHVSA-N 1 0 304.384 4.047 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Oc3ccccc3C)CC2)cc1 ZINC001144567427 1050619633 /nfs/dbraw/zinc/61/96/33/1050619633.db2.gz JZCSKNIEEIQMDV-UHFFFAOYSA-N 1 0 305.421 4.020 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC001144567470 1050620616 /nfs/dbraw/zinc/62/06/16/1050620616.db2.gz LZBHTAHXRKMULD-UHFFFAOYSA-N 1 0 316.404 4.189 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCCc2ccccc21 ZINC001171200719 1050625772 /nfs/dbraw/zinc/62/57/72/1050625772.db2.gz AVOBAADNEOVBSQ-OXQOHEQNSA-N 1 0 304.437 4.199 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001171200717 1050626209 /nfs/dbraw/zinc/62/62/09/1050626209.db2.gz AVOBAADNEOVBSQ-JXFKEZNVSA-N 1 0 304.437 4.199 20 30 DIEDRO COc1cccc(SCC[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000595413580 1050630816 /nfs/dbraw/zinc/63/08/16/1050630816.db2.gz VYLBECDONRQTDU-AWEZNQCLSA-N 1 0 312.438 4.010 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001171201261 1050632566 /nfs/dbraw/zinc/63/25/66/1050632566.db2.gz JEMAVRHELQMDJR-DAXOMENPSA-N 1 0 310.363 4.200 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](CCC#N)c1ccccc1)C1CCCCC1 ZINC000595418957 1050633901 /nfs/dbraw/zinc/63/39/01/1050633901.db2.gz GVORYHIUJMXMDF-RBUKOAKNSA-N 1 0 300.446 4.216 20 30 DIEDRO CC[C@@H](OCC[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000593019692 1050634910 /nfs/dbraw/zinc/63/49/10/1050634910.db2.gz ISTNDGZIKHHGGD-OXQOHEQNSA-N 1 0 308.425 4.377 20 30 DIEDRO CC[C@H](OCC[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000593017887 1050635453 /nfs/dbraw/zinc/63/54/53/1050635453.db2.gz CTHKEPMYCAEVQY-UZLBHIALSA-N 1 0 308.425 4.377 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000595474067 1050635518 /nfs/dbraw/zinc/63/55/18/1050635518.db2.gz CONGLZIYJSSVFS-MRXNPFEDSA-N 1 0 322.374 4.155 20 30 DIEDRO CCCCCCC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000740876490 1050636584 /nfs/dbraw/zinc/63/65/84/1050636584.db2.gz WKXWARHEINDXCH-UHFFFAOYSA-N 1 0 308.510 4.118 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cccc3c2CCC3)c1 ZINC000845935616 1050636712 /nfs/dbraw/zinc/63/67/12/1050636712.db2.gz BALUZFUNAIZEPQ-LJQANCHMSA-N 1 0 320.436 4.146 20 30 DIEDRO C[C@]1(CC[NH2+]Cc2cccc(OCCCC#N)c2)C[C@]1(F)Cl ZINC000846034199 1050653891 /nfs/dbraw/zinc/65/38/91/1050653891.db2.gz IJAVIMIHGNCOCQ-DLBZAZTESA-N 1 0 324.827 4.163 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2s1 ZINC001171209096 1050654182 /nfs/dbraw/zinc/65/41/82/1050654182.db2.gz HYVWVKFBMBPZOD-CQSZACIVSA-N 1 0 321.449 4.231 20 30 DIEDRO C[C@@H]([NH2+]Cc1coc2ccccc12)c1ccc(OCC#N)cc1 ZINC000746727960 1050654344 /nfs/dbraw/zinc/65/43/44/1050654344.db2.gz JDLXVSMYWQBALE-CQSZACIVSA-N 1 0 306.365 4.186 20 30 DIEDRO N#CC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000595614265 1050657757 /nfs/dbraw/zinc/65/77/57/1050657757.db2.gz JFDKDTMDSYMGFC-SFHVURJKSA-N 1 0 320.436 4.391 20 30 DIEDRO N#Cc1cc(CN2CC3(CCCC3)[C@@H]2c2ccco2)ccc1F ZINC000595673920 1050660292 /nfs/dbraw/zinc/66/02/92/1050660292.db2.gz GIVMMADTMXPCTO-SFHVURJKSA-N 1 0 310.372 4.408 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccccc3[C@@H](C)C2)cc1 ZINC000846066840 1050661961 /nfs/dbraw/zinc/66/19/61/1050661961.db2.gz HKGYJZHUEWQSMN-IRXDYDNUSA-N 1 0 320.436 4.139 20 30 DIEDRO COc1ccc(C[NH2+]Cc2cc3cc(C)c(C)cc3o2)cc1C#N ZINC000746741173 1050664540 /nfs/dbraw/zinc/66/45/40/1050664540.db2.gz KQVOYDHNFFATHP-UHFFFAOYSA-N 1 0 320.392 4.220 20 30 DIEDRO N#CC1(CC[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CCCCC1 ZINC000595791108 1050670197 /nfs/dbraw/zinc/67/01/97/1050670197.db2.gz ZRCJEVOGVPAKEF-QZTJIDSGSA-N 1 0 304.478 4.132 20 30 DIEDRO N#CC1(CC[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CCCCC1 ZINC000595791106 1050671441 /nfs/dbraw/zinc/67/14/41/1050671441.db2.gz ZRCJEVOGVPAKEF-MSOLQXFVSA-N 1 0 304.478 4.132 20 30 DIEDRO COc1cccc(C2([NH2+]CCCCC(C)(C)C#N)CCC2)c1 ZINC000595852178 1050674329 /nfs/dbraw/zinc/67/43/29/1050674329.db2.gz PFUBLWIPRFXJJN-UHFFFAOYSA-N 1 0 300.446 4.384 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)c1 ZINC000846170736 1050680951 /nfs/dbraw/zinc/68/09/51/1050680951.db2.gz ZEACIEJDYIJHHW-OAQYLSRUSA-N 1 0 304.437 4.474 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1O ZINC000846172320 1050682423 /nfs/dbraw/zinc/68/24/23/1050682423.db2.gz LEWUXMNEHSQJPQ-ACJLOTCBSA-N 1 0 322.408 4.001 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)CC(F)(F)F ZINC000596066699 1050685168 /nfs/dbraw/zinc/68/51/68/1050685168.db2.gz HFZSQURUHSGQQG-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO Cc1cc(N=NC2CC[N@H+](C)[C@H](C)C2)nc2ccc(Cl)cc12 ZINC000741456270 1050686680 /nfs/dbraw/zinc/68/66/80/1050686680.db2.gz QZYVPLZRYJFTSI-GFCCVEGCSA-N 1 0 316.836 4.079 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741590105 1050710465 /nfs/dbraw/zinc/71/04/65/1050710465.db2.gz AWLQOADPQXXMOH-MSOLQXFVSA-N 1 0 310.526 4.458 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001171221403 1050710645 /nfs/dbraw/zinc/71/06/45/1050710645.db2.gz MIPCIKFVIUTDHF-QAPCUYQASA-N 1 0 308.400 4.118 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001171220700 1050712543 /nfs/dbraw/zinc/71/25/43/1050712543.db2.gz DQRBMRFXAKRSJT-DYESRHJHSA-N 1 0 320.436 4.033 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220739 1050712589 /nfs/dbraw/zinc/71/25/89/1050712589.db2.gz BNZFYXNDSYCCFM-CVEARBPZSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1ccccc1F ZINC001171221671 1050713505 /nfs/dbraw/zinc/71/35/05/1050713505.db2.gz RRQNFFUGWXCGDP-FOIQADDNSA-N 1 0 308.400 4.465 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000741585231 1050713902 /nfs/dbraw/zinc/71/39/02/1050713902.db2.gz PAJNCXPJKIGTHK-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001171222992 1050714460 /nfs/dbraw/zinc/71/44/60/1050714460.db2.gz KZMFINGMGMBBSD-KXBFYZLASA-N 1 0 308.400 4.118 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)CCc1cccc(Cl)c1 ZINC001171223010 1050715134 /nfs/dbraw/zinc/71/51/34/1050715134.db2.gz LGHOOYFSHMLCAT-OAHLLOKOSA-N 1 0 312.844 4.317 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171225235 1050719828 /nfs/dbraw/zinc/71/98/28/1050719828.db2.gz YYIJQRFUGOUBNU-MRXNPFEDSA-N 1 0 308.425 4.020 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001171228239 1050723736 /nfs/dbraw/zinc/72/37/36/1050723736.db2.gz FHVAQKDBWGFDRR-MNNVXMFVSA-N 1 0 300.421 4.093 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171230820 1050724373 /nfs/dbraw/zinc/72/43/73/1050724373.db2.gz YIPXFYHBOTXDPP-MRXNPFEDSA-N 1 0 308.425 4.020 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741723847 1050730013 /nfs/dbraw/zinc/73/00/13/1050730013.db2.gz UAORFJDPCSREHC-YXZPIEPFSA-N 1 0 308.510 4.282 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741723843 1050730648 /nfs/dbraw/zinc/73/06/48/1050730648.db2.gz UAORFJDPCSREHC-CONOYDDESA-N 1 0 308.510 4.282 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001171234083 1050732410 /nfs/dbraw/zinc/73/24/10/1050732410.db2.gz KLHJVNBUZAPKCW-IERDGZPVSA-N 1 0 322.427 4.335 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(F)c(F)c1 ZINC000788755286 1050737464 /nfs/dbraw/zinc/73/74/64/1050737464.db2.gz RLGARMOCOUWNID-GTNSWQLSSA-N 1 0 304.340 4.033 20 30 DIEDRO CCCCCCCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000772947697 1050738364 /nfs/dbraw/zinc/73/83/64/1050738364.db2.gz AYUFLJJHGLITLG-ICSRJNTNSA-N 1 0 317.521 4.242 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)c1cccc(C#N)c1 ZINC000593183318 1050741557 /nfs/dbraw/zinc/74/15/57/1050741557.db2.gz UBYAYAIZRPAEIJ-RYGJVYDSSA-N 1 0 306.409 4.129 20 30 DIEDRO CC(C)(C#N)c1ccccc1CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596593843 1050750322 /nfs/dbraw/zinc/75/03/22/1050750322.db2.gz SGRHEHJZQQNNGH-IBGZPJMESA-N 1 0 319.452 4.466 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000772953321 1050754503 /nfs/dbraw/zinc/75/45/03/1050754503.db2.gz UEJISYXZCFIAKD-LBPRGKRZSA-N 1 0 315.244 4.266 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000772951835 1050754413 /nfs/dbraw/zinc/75/44/13/1050754413.db2.gz OZYDCEOZJJPXRV-GHMZBOCLSA-N 1 0 315.244 4.122 20 30 DIEDRO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)C2CCCCC2)nn1 ZINC000846842278 1050769003 /nfs/dbraw/zinc/76/90/03/1050769003.db2.gz SGGXBDLTSBLOCF-HXUWFJFHSA-N 1 0 324.472 4.265 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)c1ccc(OCC#N)cc1 ZINC000788990045 1050774872 /nfs/dbraw/zinc/77/48/72/1050774872.db2.gz ZPSJJXBQESMWQT-ZIAGYGMSSA-N 1 0 322.399 4.454 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)c(F)c1 ZINC000772956295 1050781054 /nfs/dbraw/zinc/78/10/54/1050781054.db2.gz BHMWLRDAWWMAIX-GFCCVEGCSA-N 1 0 318.779 4.232 20 30 DIEDRO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596978636 1050791668 /nfs/dbraw/zinc/79/16/68/1050791668.db2.gz BGKCZQXJHUCGMX-AWEZNQCLSA-N 1 0 308.450 4.423 20 30 DIEDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597014324 1050796049 /nfs/dbraw/zinc/79/60/49/1050796049.db2.gz DWOYAAFYWUJHLJ-LJQANCHMSA-N 1 0 312.457 4.023 20 30 DIEDRO N#Cc1ccc(Nc2c[nH+]ccc2N2CCCCC2)c(Cl)c1 ZINC001213993832 1050796301 /nfs/dbraw/zinc/79/63/01/1050796301.db2.gz BMXMCTHXLGGZQY-UHFFFAOYSA-N 1 0 312.804 4.341 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000597014151 1050796831 /nfs/dbraw/zinc/79/68/31/1050796831.db2.gz OQXJQBJXSZLHJB-ZWKOTPCHSA-N 1 0 312.482 4.102 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@@H](C)C1CCCCC1 ZINC000772958958 1050806713 /nfs/dbraw/zinc/80/67/13/1050806713.db2.gz JNBNJZSMHOWCQY-CVEARBPZSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc2ccccc2s1 ZINC000772961091 1050808254 /nfs/dbraw/zinc/80/82/54/1050808254.db2.gz ZZDAHOMOSVCXGA-ZDUSSCGKSA-N 1 0 323.421 4.049 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000772965625 1050810652 /nfs/dbraw/zinc/81/06/52/1050810652.db2.gz QJNZSKCRJXRARS-HZPDHXFCSA-N 1 0 315.379 4.463 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccncc1 ZINC000597136767 1050812331 /nfs/dbraw/zinc/81/23/31/1050812331.db2.gz VESDKAPOKVBOBU-LJQANCHMSA-N 1 0 317.436 4.220 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597162295 1050813965 /nfs/dbraw/zinc/81/39/65/1050813965.db2.gz VTYFOFYZFXUAPV-INIZCTEOSA-N 1 0 315.420 4.306 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)cc1 ZINC000060467219 1050814484 /nfs/dbraw/zinc/81/44/84/1050814484.db2.gz HLHQLWFEGLIPLF-LJQANCHMSA-N 1 0 306.409 4.083 20 30 DIEDRO C[N@H+](CCOc1ccccc1C#N)Cc1csc2ccccc12 ZINC000060468893 1050815188 /nfs/dbraw/zinc/81/51/88/1050815188.db2.gz XDJSGJGXCUIXJN-UHFFFAOYSA-N 1 0 322.433 4.284 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)cc1C#N ZINC000742368194 1050823387 /nfs/dbraw/zinc/82/33/87/1050823387.db2.gz YSPVOVXULSPPDX-PMACEKPBSA-N 1 0 320.436 4.383 20 30 DIEDRO N#CC1(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCCCC1 ZINC000597216565 1050824728 /nfs/dbraw/zinc/82/47/28/1050824728.db2.gz YHMPAPVGNPBDKX-UHFFFAOYSA-N 1 0 304.384 4.274 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]CCC2(C#N)CCCCC2)C12CCCC2 ZINC001170105658 1050825323 /nfs/dbraw/zinc/82/53/23/1050825323.db2.gz RCNGIWVOXYONRU-DLBZAZTESA-N 1 0 304.478 4.178 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)CCc2ccc(C)o2)cc1 ZINC000742381508 1050826168 /nfs/dbraw/zinc/82/61/68/1050826168.db2.gz YZWYMWFEXMBAPM-INIZCTEOSA-N 1 0 311.425 4.101 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CCCCC2CCCC2)cc1 ZINC000742387402 1050827492 /nfs/dbraw/zinc/82/74/92/1050827492.db2.gz GZNCUGLFYGAXLP-UHFFFAOYSA-N 1 0 313.489 4.487 20 30 DIEDRO C#CCCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000742385143 1050828035 /nfs/dbraw/zinc/82/80/35/1050828035.db2.gz UEPWXICDNWMVGZ-UHFFFAOYSA-N 1 0 301.336 4.260 20 30 DIEDRO C#CCCC[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000742385111 1050828202 /nfs/dbraw/zinc/82/82/02/1050828202.db2.gz LKIDAKCQPOLAEJ-UHFFFAOYSA-N 1 0 322.886 4.451 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1cccc(C#N)c1 ZINC000593320219 1050834025 /nfs/dbraw/zinc/83/40/25/1050834025.db2.gz AWNRPUUTZINRGA-KXBFYZLASA-N 1 0 305.425 4.026 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1cccc(C#N)c1 ZINC000593320216 1050834556 /nfs/dbraw/zinc/83/45/56/1050834556.db2.gz AWNRPUUTZINRGA-BEFAXECRSA-N 1 0 305.425 4.026 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)cc1C#N ZINC000742374047 1050835606 /nfs/dbraw/zinc/83/56/06/1050835606.db2.gz QBVSWVNZRFZZTJ-MOPGFXCFSA-N 1 0 324.399 4.132 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)cc1 ZINC000742379661 1050839839 /nfs/dbraw/zinc/83/98/39/1050839839.db2.gz ZUWFXLQQYGWWME-MRXNPFEDSA-N 1 0 311.400 4.305 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000669617911 1050877330 /nfs/dbraw/zinc/87/73/30/1050877330.db2.gz XRZYFXJBWPLETJ-ZBFHGGJFSA-N 1 0 313.363 4.134 20 30 DIEDRO C=CCC[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccco1 ZINC000789744321 1050882421 /nfs/dbraw/zinc/88/24/21/1050882421.db2.gz SEQONPWFPPKHIK-PKOBYXMFSA-N 1 0 311.425 4.390 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC000772982685 1050884890 /nfs/dbraw/zinc/88/48/90/1050884890.db2.gz FEVHODBEAUXTPW-YQQAZPJKSA-N 1 0 300.446 4.282 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001171309313 1050885586 /nfs/dbraw/zinc/88/55/86/1050885586.db2.gz XKQDFAYDBRFLJU-HNNXBMFYSA-N 1 0 308.263 4.422 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000601967611 1050886931 /nfs/dbraw/zinc/88/69/31/1050886931.db2.gz HVADPQMSLNOGQL-KXBFYZLASA-N 1 0 313.420 4.480 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000772982263 1050893389 /nfs/dbraw/zinc/89/33/89/1050893389.db2.gz BIRWRVDMJLXFAJ-GUDVDZBRSA-N 1 0 312.457 4.426 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3c2cccc3C)c1 ZINC000772983569 1050895771 /nfs/dbraw/zinc/89/57/71/1050895771.db2.gz KZWNPOMJUWCJNK-DYESRHJHSA-N 1 0 320.436 4.453 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3c2cccc3C)c1 ZINC000772983572 1050896569 /nfs/dbraw/zinc/89/65/69/1050896569.db2.gz KZWNPOMJUWCJNK-UWJYYQICSA-N 1 0 320.436 4.453 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)nc2C)c1 ZINC000772985690 1050901963 /nfs/dbraw/zinc/90/19/63/1050901963.db2.gz WFFYHUDTTRYZIX-YJBOKZPZSA-N 1 0 323.440 4.230 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(C)nc2C)c1 ZINC000772985689 1050902262 /nfs/dbraw/zinc/90/22/62/1050902262.db2.gz WFFYHUDTTRYZIX-QAPCUYQASA-N 1 0 323.440 4.230 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000772988306 1050925004 /nfs/dbraw/zinc/92/50/04/1050925004.db2.gz ODVUNOASEKLSRH-GOSISDBHSA-N 1 0 311.812 4.129 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1(C)CC1 ZINC000742725253 1050926822 /nfs/dbraw/zinc/92/68/22/1050926822.db2.gz NEKWXRDVZFRTEF-INIZCTEOSA-N 1 0 320.436 4.415 20 30 DIEDRO C=C(C[NH2+]Cc1ccccc1N1CCCCC1)c1ccccc1 ZINC000742717568 1050931359 /nfs/dbraw/zinc/93/13/59/1050931359.db2.gz BTGRUARGBMXCLA-UHFFFAOYSA-N 1 0 306.453 4.480 20 30 DIEDRO Fc1ccc(C#CCN2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000746888135 1050936896 /nfs/dbraw/zinc/93/68/96/1050936896.db2.gz NTSKVOAJPKBSRW-LJQANCHMSA-N 1 0 315.338 4.293 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001148602122 1050955676 /nfs/dbraw/zinc/95/56/76/1050955676.db2.gz AHDAYGAYVLWDNL-KURKYZTESA-N 1 0 308.510 4.068 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCSC2)cc1 ZINC000790497561 1050964789 /nfs/dbraw/zinc/96/47/89/1050964789.db2.gz NAZRCQMXUHQXSW-KGLIPLIRSA-N 1 0 311.878 4.222 20 30 DIEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000790498074 1050964899 /nfs/dbraw/zinc/96/48/99/1050964899.db2.gz XCTZDEQRDUQJFO-DLBZAZTESA-N 1 0 316.445 4.253 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000348215407 1051002526 /nfs/dbraw/zinc/00/25/26/1051002526.db2.gz MUTKPLKLSKWOCN-SFHVURJKSA-N 1 0 312.457 4.309 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743257539 1051002702 /nfs/dbraw/zinc/00/27/02/1051002702.db2.gz HCJFHVQLJGOQKR-MRXNPFEDSA-N 1 0 307.846 4.123 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001171368840 1051019066 /nfs/dbraw/zinc/01/90/66/1051019066.db2.gz JVLQWAXNJKIXOB-QAPCUYQASA-N 1 0 323.440 4.244 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001171368831 1051019191 /nfs/dbraw/zinc/01/91/91/1051019191.db2.gz JVLQWAXNJKIXOB-CRAIPNDOSA-N 1 0 323.440 4.244 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000790980636 1051019402 /nfs/dbraw/zinc/01/94/02/1051019402.db2.gz PDGDIXCQDLTPNA-OAQYLSRUSA-N 1 0 305.421 4.330 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000773019221 1051025974 /nfs/dbraw/zinc/02/59/74/1051025974.db2.gz XSCQFKZGNCPDHB-QZTJIDSGSA-N 1 0 317.379 4.295 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2c(s1)CCCC2 ZINC000773030334 1051030023 /nfs/dbraw/zinc/03/00/23/1051030023.db2.gz OHYRECMEKZHMKN-GFCCVEGCSA-N 1 0 314.429 4.488 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000773033939 1051031716 /nfs/dbraw/zinc/03/17/16/1051031716.db2.gz BSIABINDGOCOMR-LLVKDONJSA-N 1 0 301.764 4.396 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000773061412 1051043220 /nfs/dbraw/zinc/04/32/20/1051043220.db2.gz XHGLRXMLNZWNMJ-GOSISDBHSA-N 1 0 316.489 4.310 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)cc1C#N ZINC000773086099 1051059370 /nfs/dbraw/zinc/05/93/70/1051059370.db2.gz YHYOIRMYNCOWIW-KSSFIOAISA-N 1 0 306.409 4.213 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000791565699 1051062551 /nfs/dbraw/zinc/06/25/51/1051062551.db2.gz HSPRUVLFJDWERZ-LJQANCHMSA-N 1 0 317.379 4.077 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000791565683 1051062803 /nfs/dbraw/zinc/06/28/03/1051062803.db2.gz HSPRUVLFJDWERZ-IBGZPJMESA-N 1 0 317.379 4.077 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000773103874 1051063571 /nfs/dbraw/zinc/06/35/71/1051063571.db2.gz CHSFUWRYRRFWKC-HNAYVOBHSA-N 1 0 308.381 4.318 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000773108224 1051064973 /nfs/dbraw/zinc/06/49/73/1051064973.db2.gz UFHPPRLTGFUZBK-APWZRJJASA-N 1 0 322.408 4.270 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](CC)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000773108550 1051065954 /nfs/dbraw/zinc/06/59/54/1051065954.db2.gz ZSOBNPGMBSCSOC-WOJBJXKFSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000773133701 1051073898 /nfs/dbraw/zinc/07/38/98/1051073898.db2.gz RTKWTESCTOECEL-KGLIPLIRSA-N 1 0 315.363 4.389 20 30 DIEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000743854154 1051076793 /nfs/dbraw/zinc/07/67/93/1051076793.db2.gz NCJGSGAXPSILFZ-CPUCHLNUSA-N 1 0 318.848 4.395 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743854959 1051077556 /nfs/dbraw/zinc/07/75/56/1051077556.db2.gz VMKUAAPLQBUKGH-FOIQADDNSA-N 1 0 324.399 4.311 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccc(OCC#N)cc1 ZINC000037198913 1051114107 /nfs/dbraw/zinc/11/41/07/1051114107.db2.gz WQWPXUJDZQTWSP-CYBMUJFWSA-N 1 0 300.789 4.093 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000792204956 1051125661 /nfs/dbraw/zinc/12/56/61/1051125661.db2.gz GEWUSCRABGFENQ-UHFFFAOYSA-N 1 0 310.526 4.316 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3CCc4cc(F)c(F)cc4C3)(CC1)CC2 ZINC001171462857 1051142288 /nfs/dbraw/zinc/14/22/88/1051142288.db2.gz KPTPWZOWOWWPPI-VNCLNFNDSA-N 1 0 316.395 4.028 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC001171489939 1051143312 /nfs/dbraw/zinc/14/33/12/1051143312.db2.gz KMZWKVCMLGDIOO-UONOGXRCSA-N 1 0 306.247 4.245 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1CC2(CCC2)C1 ZINC001170206825 1051150029 /nfs/dbraw/zinc/15/00/29/1051150029.db2.gz XYBFGLXOPSIAPW-UHFFFAOYSA-N 1 0 301.478 4.422 20 30 DIEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171588944 1051161237 /nfs/dbraw/zinc/16/12/37/1051161237.db2.gz JICIIHRBNMYUHZ-JKSUJKDBSA-N 1 0 324.509 4.356 20 30 DIEDRO Cc1cccc2c1CC[C@@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)C2 ZINC001171549455 1051163263 /nfs/dbraw/zinc/16/32/63/1051163263.db2.gz ATQPOESIIGTGPS-LJQANCHMSA-N 1 0 304.437 4.249 20 30 DIEDRO Cc1cccc2c1CC[C@@H]([NH2+]C1(c3ccc(C#N)cc3)CC1)C2 ZINC001171557284 1051165155 /nfs/dbraw/zinc/16/51/55/1051165155.db2.gz SSPULSSMFQGGCZ-LJQANCHMSA-N 1 0 302.421 4.003 20 30 DIEDRO Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc(Cl)c(C#N)c1)C2 ZINC001171564103 1051167972 /nfs/dbraw/zinc/16/79/72/1051167972.db2.gz SPECJIHDYISEMJ-KRWDZBQOSA-N 1 0 310.828 4.167 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2c(C)cccc2C1)c1cccc(C#N)c1 ZINC001171561355 1051167991 /nfs/dbraw/zinc/16/79/91/1051167991.db2.gz XZUXHXAFGBMXNG-TZIWHRDSSA-N 1 0 304.437 4.465 20 30 DIEDRO C=CCCCCCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401771912 1051179261 /nfs/dbraw/zinc/17/92/61/1051179261.db2.gz PBUQUCSVWBWPCP-SJORKVTESA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401771908 1051179608 /nfs/dbraw/zinc/17/96/08/1051179608.db2.gz PBUQUCSVWBWPCP-DLBZAZTESA-N 1 0 324.509 4.358 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2(c3ccccn3)CC2)CC1 ZINC001170362259 1051190955 /nfs/dbraw/zinc/19/09/55/1051190955.db2.gz SIVQXEBVOWPVHU-UHFFFAOYSA-N 1 0 317.436 4.064 20 30 DIEDRO Cc1cccc([C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001170362336 1051191678 /nfs/dbraw/zinc/19/16/78/1051191678.db2.gz XXEKNGXQLBTEGC-FQVISZRSSA-N 1 0 319.452 4.445 20 30 DIEDRO Cc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1O ZINC001170364693 1051192942 /nfs/dbraw/zinc/19/29/42/1051192942.db2.gz FKZVZQBPLCCFAC-UHFFFAOYSA-N 1 0 320.436 4.194 20 30 DIEDRO Cc1ccc(F)c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001170367059 1051192985 /nfs/dbraw/zinc/19/29/85/1051192985.db2.gz DUDGEXNULPFCHQ-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(N)cc1 ZINC001170365293 1051193021 /nfs/dbraw/zinc/19/30/21/1051193021.db2.gz URHJRCSBVAYHTB-YMTQGWHGSA-N 1 0 319.452 4.324 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(N)c1 ZINC001170365274 1051193153 /nfs/dbraw/zinc/19/31/53/1051193153.db2.gz TYZNKCSIAAQDGK-ATIQYGATSA-N 1 0 319.452 4.324 20 30 DIEDRO C#CCN([C@@H]1CCc2ccccc21)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639958 1051194569 /nfs/dbraw/zinc/19/45/69/1051194569.db2.gz WSLOJVVHDLVUNV-HXUWFJFHSA-N 1 0 324.512 4.261 20 30 DIEDRO C[NH2+]Cc1ccc(NC2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170386419 1051195803 /nfs/dbraw/zinc/19/58/03/1051195803.db2.gz GBYWDRLZUMYWPA-UHFFFAOYSA-N 1 0 319.452 4.222 20 30 DIEDRO C#CC1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCCC1 ZINC001170373510 1051197089 /nfs/dbraw/zinc/19/70/89/1051197089.db2.gz GNQZFJDQWYORRM-UHFFFAOYSA-N 1 0 306.453 4.316 20 30 DIEDRO C[NH2+]Cc1cccc(NC2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170389641 1051197659 /nfs/dbraw/zinc/19/76/59/1051197659.db2.gz XCQVPBAFMURGMN-UHFFFAOYSA-N 1 0 319.452 4.222 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1nsc2ccccc21 ZINC001203249930 1051197743 /nfs/dbraw/zinc/19/77/43/1051197743.db2.gz YCZROHGWEVZDGI-UHFFFAOYSA-N 1 0 321.449 4.117 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001170376207 1051200029 /nfs/dbraw/zinc/20/00/29/1051200029.db2.gz LHUGGJXJMPIXIN-UHFFFAOYSA-N 1 0 316.448 4.449 20 30 DIEDRO C[C@@]1(F)CCC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378641 1051200177 /nfs/dbraw/zinc/20/01/77/1051200177.db2.gz HGLAUEVNYBIROY-JLAWEPINSA-N 1 0 300.421 4.215 20 30 DIEDRO C#CCC[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792943757 1051227619 /nfs/dbraw/zinc/22/76/19/1051227619.db2.gz UBAFZHRPKMJFAC-UHFFFAOYSA-N 1 0 309.253 4.179 20 30 DIEDRO COCC#CC[NH2+][C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001171799389 1051222057 /nfs/dbraw/zinc/22/20/57/1051222057.db2.gz OPWBBHGQJNOSDD-ROUUACIJSA-N 1 0 323.436 4.127 20 30 DIEDRO N#Cc1cccc(C2CC[NH+]([C@H]3Cc4cccc(F)c4C3)CC2)c1 ZINC001171805853 1051225663 /nfs/dbraw/zinc/22/56/63/1051225663.db2.gz SIJPJBXFNHITLF-IBGZPJMESA-N 1 0 320.411 4.044 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001171847047 1051230410 /nfs/dbraw/zinc/23/04/10/1051230410.db2.gz HKUYURVOHVKFCI-UWJYYQICSA-N 1 0 309.453 4.031 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001171847044 1051230659 /nfs/dbraw/zinc/23/06/59/1051230659.db2.gz HKUYURVOHVKFCI-DYESRHJHSA-N 1 0 309.453 4.031 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000792927474 1051231970 /nfs/dbraw/zinc/23/19/70/1051231970.db2.gz RJFOJGOKXWEXLL-FHLIZLRMSA-N 1 0 320.864 4.275 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC001171848048 1051232493 /nfs/dbraw/zinc/23/24/93/1051232493.db2.gz WKIUKAFKHIDMBI-OAHLLOKOSA-N 1 0 312.413 4.138 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001171920825 1051240890 /nfs/dbraw/zinc/24/08/90/1051240890.db2.gz OCIZQRJPUOOWDS-TZMCWYRMSA-N 1 0 309.356 4.233 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001171920823 1051241490 /nfs/dbraw/zinc/24/14/90/1051241490.db2.gz OCIZQRJPUOOWDS-JSGCOSHPSA-N 1 0 309.356 4.233 20 30 DIEDRO C=CC[N@H+](Cc1cccc(SC(F)(F)F)c1)[C@@H](C)COC ZINC001171917058 1051241967 /nfs/dbraw/zinc/24/19/67/1051241967.db2.gz TUDXDMXVCKQVBY-LBPRGKRZSA-N 1 0 319.392 4.321 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(Br)c(C)c1 ZINC001171921686 1051247661 /nfs/dbraw/zinc/24/76/61/1051247661.db2.gz WYFXPHBUCDOMHR-CABCVRRESA-N 1 0 323.278 4.377 20 30 DIEDRO C#CCCC1(CC[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)N=N1 ZINC001171965777 1051248327 /nfs/dbraw/zinc/24/83/27/1051248327.db2.gz SIGTWNPUTXPSPH-ZDUSSCGKSA-N 1 0 323.362 4.192 20 30 DIEDRO CC(C)(C)OC(=O)C1CCC([N@H+](CCC#N)C2CCCC2)CC1 ZINC001171927210 1051251898 /nfs/dbraw/zinc/25/18/98/1051251898.db2.gz WVNLLDOISJVVLW-UHFFFAOYSA-N 1 0 320.477 4.045 20 30 DIEDRO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC12CCCCC2 ZINC001171937249 1051254206 /nfs/dbraw/zinc/25/42/06/1051254206.db2.gz MFJNGFYQWVZXBN-KRWDZBQOSA-N 1 0 313.401 4.059 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC#N)CC1 ZINC001171973780 1051263624 /nfs/dbraw/zinc/26/36/24/1051263624.db2.gz PAFPPGWJZVXQCB-ZDUSSCGKSA-N 1 0 310.363 4.262 20 30 DIEDRO C#CC1([NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CCCCC1 ZINC001171979633 1051268093 /nfs/dbraw/zinc/26/80/93/1051268093.db2.gz POBPXBMPANEFQG-FQEVSTJZSA-N 1 0 324.512 4.355 20 30 DIEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172061252 1051271686 /nfs/dbraw/zinc/27/16/86/1051271686.db2.gz UQPFEUJKTGSRBZ-INIZCTEOSA-N 1 0 322.493 4.255 20 30 DIEDRO CC(C)([NH2+][C@H]1CSc2ccccc2C1)c1ccc(C#N)cc1 ZINC001172186033 1051308683 /nfs/dbraw/zinc/30/86/83/1051308683.db2.gz WICROEVOFAPAET-QGZVFWFLSA-N 1 0 308.450 4.100 20 30 DIEDRO Cc1ccccc1C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000793540715 1051313326 /nfs/dbraw/zinc/31/33/26/1051313326.db2.gz NJRHTXLSKNZCPE-NRFANRHFSA-N 1 0 320.436 4.008 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)c1ccncc1 ZINC000793538837 1051313582 /nfs/dbraw/zinc/31/35/82/1051313582.db2.gz CVODYUYAJXCMNI-DOVSJBTNSA-N 1 0 322.452 4.489 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000793543854 1051315399 /nfs/dbraw/zinc/31/53/99/1051315399.db2.gz WPYBFSXRBTUQMX-CABCVRRESA-N 1 0 303.450 4.353 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000793543834 1051315532 /nfs/dbraw/zinc/31/55/32/1051315532.db2.gz WHMDGLGGACNSNE-MRXNPFEDSA-N 1 0 303.446 4.347 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000793543857 1051316135 /nfs/dbraw/zinc/31/61/35/1051316135.db2.gz WPYBFSXRBTUQMX-HUUCEWRRSA-N 1 0 303.450 4.353 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CSc2ccccc2C1)c1cccc(C#N)c1 ZINC001172204541 1051316342 /nfs/dbraw/zinc/31/63/42/1051316342.db2.gz QIBYUQZETYBTAD-ZWKOTPCHSA-N 1 0 308.450 4.316 20 30 DIEDRO N#Cc1ccsc1Nc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001215709953 1051316765 /nfs/dbraw/zinc/31/67/65/1051316765.db2.gz KNAAQJGBFMAWIE-UHFFFAOYSA-N 1 0 315.417 4.488 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000793556220 1051318970 /nfs/dbraw/zinc/31/89/70/1051318970.db2.gz WAUONHGWDOEDQE-INIZCTEOSA-N 1 0 316.445 4.258 20 30 DIEDRO N#Cc1cccc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001215711840 1051319015 /nfs/dbraw/zinc/31/90/15/1051319015.db2.gz JENWDAQLCSQLMR-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO N#Cc1cc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)cs1 ZINC001215711387 1051319304 /nfs/dbraw/zinc/31/93/04/1051319304.db2.gz QTJDFTUBNFJKHM-UHFFFAOYSA-N 1 0 315.417 4.488 20 30 DIEDRO N#Cc1ccc2ncc(C[NH2+]C(C3CCCC3)C3CCCC3)n2c1 ZINC000793584830 1051322689 /nfs/dbraw/zinc/32/26/89/1051322689.db2.gz SUGKCBXBYLAFEZ-UHFFFAOYSA-N 1 0 322.456 4.045 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000793586056 1051323259 /nfs/dbraw/zinc/32/32/59/1051323259.db2.gz DXNQAZMMPCLAJS-ZDUSSCGKSA-N 1 0 316.405 4.086 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2snc(C)c2C#N)c1 ZINC001215722799 1051323287 /nfs/dbraw/zinc/32/32/87/1051323287.db2.gz AUVCZFPSVBWXED-UHFFFAOYSA-N 1 0 318.421 4.048 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000746152477 1051329250 /nfs/dbraw/zinc/32/92/50/1051329250.db2.gz IVNCNNBXTAIRNR-KRWDZBQOSA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000746152479 1051329540 /nfs/dbraw/zinc/32/95/40/1051329540.db2.gz IVNCNNBXTAIRNR-QGZVFWFLSA-N 1 0 310.526 4.220 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(F)c1Cl ZINC001172302115 1051331403 /nfs/dbraw/zinc/33/14/03/1051331403.db2.gz DOLNYBDTJZTSPW-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC001172300611 1051331680 /nfs/dbraw/zinc/33/16/80/1051331680.db2.gz YJFYRJIPFRDDLE-KRWDZBQOSA-N 1 0 304.437 4.102 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001172301663 1051332493 /nfs/dbraw/zinc/33/24/93/1051332493.db2.gz TYKSEGZQHLTUAE-HXPMCKFVSA-N 1 0 312.363 4.045 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)CCC2 ZINC001172305090 1051333081 /nfs/dbraw/zinc/33/30/81/1051333081.db2.gz QAVANOCQJYYQPJ-YCRPNKLZSA-N 1 0 320.436 4.165 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001172305531 1051333788 /nfs/dbraw/zinc/33/37/88/1051333788.db2.gz SSNDFEYYQOYNCN-SGTLLEGYSA-N 1 0 312.363 4.045 20 30 DIEDRO COc1ccccc1[C@@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)C1CC1 ZINC001172304014 1051333870 /nfs/dbraw/zinc/33/38/70/1051333870.db2.gz GYPGZPWAFBCOHR-VFNWGFHPSA-N 1 0 320.436 4.239 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)CCC2 ZINC001172304321 1051334092 /nfs/dbraw/zinc/33/40/92/1051334092.db2.gz JKRVHMXKDHKANZ-KKSFZXQISA-N 1 0 304.437 4.465 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Cl)cc1F ZINC001172302928 1051334278 /nfs/dbraw/zinc/33/42/78/1051334278.db2.gz SWEOQRMMKILNBL-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO COc1ccccc1[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C1CC1 ZINC001172304012 1051334317 /nfs/dbraw/zinc/33/43/17/1051334317.db2.gz GYPGZPWAFBCOHR-BTYIYWSLSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001172311147 1051335107 /nfs/dbraw/zinc/33/51/07/1051335107.db2.gz QAFISAGNQCCRPM-QAPCUYQASA-N 1 0 300.421 4.093 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001172307970 1051335471 /nfs/dbraw/zinc/33/54/71/1051335471.db2.gz RSJCQSUNDKPGTM-YWZLYKJASA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001172309222 1051336177 /nfs/dbraw/zinc/33/61/77/1051336177.db2.gz SHHZXIOJDGSMBK-VMDGZTHMSA-N 1 0 310.828 4.288 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001172313283 1051337462 /nfs/dbraw/zinc/33/74/62/1051337462.db2.gz TXBPXTWFMIPKMY-MRXNPFEDSA-N 1 0 320.436 4.074 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCSc2ccccc2C1 ZINC001172312587 1051337528 /nfs/dbraw/zinc/33/75/28/1051337528.db2.gz HIEODTDBBUYOBJ-OAHLLOKOSA-N 1 0 308.450 4.097 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001172311804 1051338357 /nfs/dbraw/zinc/33/83/57/1051338357.db2.gz YOCKXCMOHAUPPJ-MRXNPFEDSA-N 1 0 320.436 4.074 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001172317432 1051339595 /nfs/dbraw/zinc/33/95/95/1051339595.db2.gz RHBLKPADQZGKME-IERDGZPVSA-N 1 0 322.427 4.335 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001172317433 1051339869 /nfs/dbraw/zinc/33/98/69/1051339869.db2.gz RHBLKPADQZGKME-IIBYNOLFSA-N 1 0 322.427 4.335 20 30 DIEDRO Cc1ccc(Cl)c(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1F ZINC001172290333 1051346830 /nfs/dbraw/zinc/34/68/30/1051346830.db2.gz OOILMWZQDHLWEB-CYBMUJFWSA-N 1 0 316.807 4.380 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172291133 1051347538 /nfs/dbraw/zinc/34/75/38/1051347538.db2.gz WKJPXYFFFKQGHZ-MRXNPFEDSA-N 1 0 308.425 4.066 20 30 DIEDRO Cc1ccc(F)c(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1Cl ZINC001172289263 1051347640 /nfs/dbraw/zinc/34/76/40/1051347640.db2.gz AXHSLFBJWNJOKJ-CYBMUJFWSA-N 1 0 316.807 4.380 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCc1cccc(Cl)c1 ZINC001172293143 1051349044 /nfs/dbraw/zinc/34/90/44/1051349044.db2.gz BQFMFAAHWNXMIN-HNNXBMFYSA-N 1 0 312.844 4.365 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172295376 1051349123 /nfs/dbraw/zinc/34/91/23/1051349123.db2.gz QXTQIFZQODDSKX-MRXNPFEDSA-N 1 0 308.425 4.068 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc2ccccc2c1 ZINC001172295001 1051349363 /nfs/dbraw/zinc/34/93/63/1051349363.db2.gz OXUJLTOGKIYOEF-MRXNPFEDSA-N 1 0 300.405 4.432 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1C(F)(F)F ZINC001172293164 1051349655 /nfs/dbraw/zinc/34/96/55/1051349655.db2.gz SJGZWVIYMZTFKM-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC001172296245 1051350181 /nfs/dbraw/zinc/35/01/81/1051350181.db2.gz GVZZGJFLCMOPSA-STQMWFEESA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)c1cc(F)cc(F)c1 ZINC001172298799 1051351096 /nfs/dbraw/zinc/35/10/96/1051351096.db2.gz DEAHUUKAIHFUCE-CYBMUJFWSA-N 1 0 314.379 4.292 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1cccc(Cl)c1F ZINC001172299733 1051351381 /nfs/dbraw/zinc/35/13/81/1051351381.db2.gz OFRFVCLPHASRMI-CYBMUJFWSA-N 1 0 316.807 4.114 20 30 DIEDRO Cc1cccc(C2([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CCC2)c1 ZINC001172299282 1051351499 /nfs/dbraw/zinc/35/14/99/1051351499.db2.gz JEBJPIGEGPZYMV-KRWDZBQOSA-N 1 0 304.437 4.467 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172297684 1051351633 /nfs/dbraw/zinc/35/16/33/1051351633.db2.gz RDEGPBTVZZNEBD-HZPDHXFCSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(Cc2ccc(F)cc2)CCC1 ZINC001172300300 1051353230 /nfs/dbraw/zinc/35/32/30/1051353230.db2.gz UWPJASCTTSERKZ-INIZCTEOSA-N 1 0 322.427 4.383 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2ccc(F)c(CC#N)c2)cc1 ZINC001215765191 1051353676 /nfs/dbraw/zinc/35/36/76/1051353676.db2.gz SECFHZKTQGWKID-UHFFFAOYSA-N 1 0 311.404 4.381 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC001172345711 1051364255 /nfs/dbraw/zinc/36/42/55/1051364255.db2.gz BUSNDXCVSDLKGB-QGZVFWFLSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]CCC(=O)Nc1nccs1 ZINC001172346708 1051364710 /nfs/dbraw/zinc/36/47/10/1051364710.db2.gz LVDPSLFVMKJHMK-AWEZNQCLSA-N 1 0 311.495 4.200 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(CC2CCOCC2)C1 ZINC001172349562 1051365966 /nfs/dbraw/zinc/36/59/66/1051365966.db2.gz FHOBRVIODVLOCT-WOJBJXKFSA-N 1 0 324.553 4.216 20 30 DIEDRO CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001172348290 1051366287 /nfs/dbraw/zinc/36/62/87/1051366287.db2.gz PKUOERAACHHUOT-IAGOWNOFSA-N 1 0 314.473 4.331 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1cccc(OC2COC2)n1 ZINC001172350536 1051367774 /nfs/dbraw/zinc/36/77/74/1051367774.db2.gz OOOFZGMTMBSQRI-INIZCTEOSA-N 1 0 320.477 4.088 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]CC1CCN(C(=O)CC)CC1 ZINC001172350792 1051368323 /nfs/dbraw/zinc/36/83/23/1051368323.db2.gz PUFQLZBMYXXMKX-GOSISDBHSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H](CC(=O)OC)c1ccccn1 ZINC001172351785 1051368928 /nfs/dbraw/zinc/36/89/28/1051368928.db2.gz VIPAELPREHJIBS-SJLPKXTDSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(c2ccncn2)CC1 ZINC001172355611 1051369473 /nfs/dbraw/zinc/36/94/73/1051369473.db2.gz DKYMUQLOIQQJKA-QGZVFWFLSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001172354314 1051369977 /nfs/dbraw/zinc/36/99/77/1051369977.db2.gz GHDKYKVFQGACBE-KRWDZBQOSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001172355698 1051370119 /nfs/dbraw/zinc/37/01/19/1051370119.db2.gz RDLSAWYTZVTNCW-GOSISDBHSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](CC)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001172355586 1051370537 /nfs/dbraw/zinc/37/05/37/1051370537.db2.gz OZLDFGRPYAAUJW-HOTGVXAUSA-N 1 0 304.482 4.099 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001172354784 1051370907 /nfs/dbraw/zinc/37/09/07/1051370907.db2.gz KRLYCSYVZZKRKB-SFHVURJKSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CCN(C(C)=O)C2)CC1 ZINC001172359295 1051371508 /nfs/dbraw/zinc/37/15/08/1051371508.db2.gz VFKIYNHAPYMYRW-LJQANCHMSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@@H](CC)Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001172356279 1051371538 /nfs/dbraw/zinc/37/15/38/1051371538.db2.gz IAAZUJVHXCQNSU-ZWKOTPCHSA-N 1 0 306.494 4.272 20 30 DIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172356519 1051372234 /nfs/dbraw/zinc/37/22/34/1051372234.db2.gz WKWUZYKTPWVMLN-SJORKVTESA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1cncn1C1CCOCC1 ZINC001172357050 1051372482 /nfs/dbraw/zinc/37/24/82/1051372482.db2.gz IYCRTTQQHVDNES-QGZVFWFLSA-N 1 0 321.509 4.463 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(NC(=O)OCC)CC1 ZINC001172357058 1051372507 /nfs/dbraw/zinc/37/25/07/1051372507.db2.gz AUXXEDVITHSZGL-KRWDZBQOSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCC[C@H](CC)[N@H+](CCOC)C1CCN(C)CC1 ZINC001172356764 1051372692 /nfs/dbraw/zinc/37/26/92/1051372692.db2.gz YBLPPHPMPAZQQZ-SFHVURJKSA-N 1 0 312.542 4.168 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001172357161 1051372862 /nfs/dbraw/zinc/37/28/62/1051372862.db2.gz JCCIPENKSDACPH-KFWWJZLASA-N 1 0 309.416 4.228 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001172356913 1051372926 /nfs/dbraw/zinc/37/29/26/1051372926.db2.gz ZQHPCPPTYGPNBZ-IEBWSBKVSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]C[C@H]1c2ccccc2NC1=O ZINC001172357220 1051373155 /nfs/dbraw/zinc/37/31/55/1051373155.db2.gz JLVIOTJSLUGUKF-WBVHZDCISA-N 1 0 302.462 4.451 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172356516 1051373190 /nfs/dbraw/zinc/37/31/90/1051373190.db2.gz WKWUZYKTPWVMLN-DLBZAZTESA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172362110 1051374505 /nfs/dbraw/zinc/37/45/05/1051374505.db2.gz SNAONYMLODRANX-BZSNNMDCSA-N 1 0 308.510 4.068 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001172362349 1051374805 /nfs/dbraw/zinc/37/48/05/1051374805.db2.gz WKVNVNLKJXIFGA-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO COCc1cc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000766348593 1051394267 /nfs/dbraw/zinc/39/42/67/1051394267.db2.gz AJULNTTZUKCFOA-CABCVRRESA-N 1 0 324.424 4.125 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC001172480272 1051401550 /nfs/dbraw/zinc/40/15/50/1051401550.db2.gz NRJNPQLOSLLDKP-FFZOFVMBSA-N 1 0 308.425 4.133 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](c1ccccc1)[C@H](N)c1ccccc1 ZINC001172479673 1051401621 /nfs/dbraw/zinc/40/16/21/1051401621.db2.gz JHSZTYABTFKZRM-PWIZWCRZSA-N 1 0 307.441 4.100 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]CCc1cc(C(F)(F)F)ccc1F ZINC001172485058 1051403487 /nfs/dbraw/zinc/40/34/87/1051403487.db2.gz LHINOEVPRVBTCV-NSHDSACASA-N 1 0 302.315 4.059 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CCOc2cc(C(F)(F)F)ccc21 ZINC001172486218 1051404451 /nfs/dbraw/zinc/40/44/51/1051404451.db2.gz CKSKYSITIICXBL-FZMZJTMJSA-N 1 0 312.335 4.201 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC001172480273 1051404483 /nfs/dbraw/zinc/40/44/83/1051404483.db2.gz NRJNPQLOSLLDKP-LSTHTHJFSA-N 1 0 308.425 4.133 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC001172484052 1051404831 /nfs/dbraw/zinc/40/48/31/1051404831.db2.gz WYKVAYXQKSCKBA-QGZVFWFLSA-N 1 0 308.425 4.438 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC001172485519 1051404850 /nfs/dbraw/zinc/40/48/50/1051404850.db2.gz QYHDCDCOLKSHBM-GFCCVEGCSA-N 1 0 307.235 4.110 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](c1ncccc1C(F)(F)F)C1CC1 ZINC001172487078 1051406055 /nfs/dbraw/zinc/40/60/55/1051406055.db2.gz JJPQPFPVXVDDLM-SMDDNHRTSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC001172489171 1051417065 /nfs/dbraw/zinc/41/70/65/1051417065.db2.gz ZZXKTTJWJMKEAU-MNOVXSKESA-N 1 0 313.214 4.321 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC001172488687 1051417210 /nfs/dbraw/zinc/41/72/10/1051417210.db2.gz NRJNPQLOSLLDKP-UXPWSPDFSA-N 1 0 308.425 4.133 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](c1ccccc1)[C@@H](N)c1ccccc1 ZINC001172487786 1051417227 /nfs/dbraw/zinc/41/72/27/1051417227.db2.gz JHSZTYABTFKZRM-LSTHTHJFSA-N 1 0 307.441 4.100 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)CCCC#N ZINC001172487728 1051417292 /nfs/dbraw/zinc/41/72/92/1051417292.db2.gz IZFRDENRMJHVNQ-QWHCGFSZSA-N 1 0 309.251 4.052 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC001172492742 1051418125 /nfs/dbraw/zinc/41/81/25/1051418125.db2.gz OFXASPHFBDBPKY-WBMJQRKESA-N 1 0 321.262 4.498 20 30 DIEDRO COc1cccc2c1CC[C@@H](CCC[NH2+][C@@H](C)CCCC#N)C2 ZINC001172492341 1051418359 /nfs/dbraw/zinc/41/83/59/1051418359.db2.gz MTUGJMOYTAKSIS-DLBZAZTESA-N 1 0 314.473 4.252 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000746452395 1051418482 /nfs/dbraw/zinc/41/84/82/1051418482.db2.gz UJNFIXRMPDAPSL-QGZVFWFLSA-N 1 0 306.498 4.399 20 30 DIEDRO CCC[N@H+]([C@H](C)CCCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC001172498089 1051418761 /nfs/dbraw/zinc/41/87/61/1051418761.db2.gz IPPWIJAXSGNVJY-SJORKVTESA-N 1 0 315.461 4.116 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(Cc2ccccc2Cl)CCOCC1 ZINC001172494204 1051418944 /nfs/dbraw/zinc/41/89/44/1051418944.db2.gz XUKJPVXUTNRMLT-OAHLLOKOSA-N 1 0 320.864 4.104 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC001172495768 1051418998 /nfs/dbraw/zinc/41/89/98/1051418998.db2.gz HRSAQSAWVSKYNX-CYBMUJFWSA-N 1 0 315.392 4.229 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC001172501311 1051420091 /nfs/dbraw/zinc/42/00/91/1051420091.db2.gz GJTURJWXJZDXCL-RBUKOAKNSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172502161 1051420198 /nfs/dbraw/zinc/42/01/98/1051420198.db2.gz ONYRUWSLOKDCDL-APWZRJJASA-N 1 0 323.477 4.250 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(c2ccncn2)C1 ZINC001172501927 1051420211 /nfs/dbraw/zinc/42/02/11/1051420211.db2.gz FVANYMHGCFRYEE-QZTJIDSGSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001172500958 1051420326 /nfs/dbraw/zinc/42/03/26/1051420326.db2.gz DEFBLLKUYUJYCD-SFHVURJKSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172501772 1051420344 /nfs/dbraw/zinc/42/03/44/1051420344.db2.gz JZCPYQZRZYQJBD-CEXWTWQISA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]CC1CCN(C(C)=O)CC1 ZINC001172501588 1051420386 /nfs/dbraw/zinc/42/03/86/1051420386.db2.gz DGOKKNMFDFEABX-LJQANCHMSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001172501719 1051420432 /nfs/dbraw/zinc/42/04/32/1051420432.db2.gz JXVHERYOXIPVDI-KRWDZBQOSA-N 1 0 322.493 4.294 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172501669 1051420457 /nfs/dbraw/zinc/42/04/57/1051420457.db2.gz DYKFLVFHUHGMFR-MRXNPFEDSA-N 1 0 323.477 4.465 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001172501533 1051420724 /nfs/dbraw/zinc/42/07/24/1051420724.db2.gz DABNOHCGALQGQX-INIZCTEOSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC001172501308 1051420631 /nfs/dbraw/zinc/42/06/31/1051420631.db2.gz GJTURJWXJZDXCL-OALUTQOASA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172501272 1051420716 /nfs/dbraw/zinc/42/07/16/1051420716.db2.gz AYMVTLLBCWYOIG-INIZCTEOSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCN(C(=O)C2CC2)C1 ZINC001172501956 1051421009 /nfs/dbraw/zinc/42/10/09/1051421009.db2.gz GPQQUGCOWAYGME-MSOLQXFVSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172503666 1051422094 /nfs/dbraw/zinc/42/20/94/1051422094.db2.gz ZNGGJKMIGJQJEM-DLBZAZTESA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1cn2cccnc2n1 ZINC001172502199 1051422121 /nfs/dbraw/zinc/42/21/21/1051422121.db2.gz OTLDNKUUMULILR-INIZCTEOSA-N 1 0 302.466 4.348 20 30 DIEDRO CCCCCCC[C@@H](CCC)n1cnc(C[NH3+])c1C(=O)OCC ZINC001172502510 1051422130 /nfs/dbraw/zinc/42/21/30/1051422130.db2.gz QSYGRWGSVHWBCE-OAHLLOKOSA-N 1 0 323.481 4.220 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001172503748 1051422331 /nfs/dbraw/zinc/42/23/31/1051422331.db2.gz AMJZDJZNJHWAEH-ROUUACIJSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC001172504219 1051422395 /nfs/dbraw/zinc/42/23/95/1051422395.db2.gz DWSLPDQQHJJXKR-PMACEKPBSA-N 1 0 324.553 4.312 20 30 DIEDRO C[C@H](CCCC#N)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001172504935 1051423130 /nfs/dbraw/zinc/42/31/30/1051423130.db2.gz JDGVJLURRXLZQV-GFCCVEGCSA-N 1 0 300.324 4.099 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001172502839 1051423164 /nfs/dbraw/zinc/42/31/64/1051423164.db2.gz MQEQYGNDUZZHSV-MOPGFXCFSA-N 1 0 324.553 4.359 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001172505651 1051423998 /nfs/dbraw/zinc/42/39/98/1051423998.db2.gz RCELLYIUSZFABR-SFHVURJKSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC(n2cnnc2)CC1 ZINC001172505952 1051424421 /nfs/dbraw/zinc/42/44/21/1051424421.db2.gz XRUJIDOUVBPEBQ-KRWDZBQOSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001172505642 1051424552 /nfs/dbraw/zinc/42/45/52/1051424552.db2.gz QYQHSSCCMRDCNB-KZNAEPCWSA-N 1 0 308.510 4.211 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCC(Oc2cccc(Cl)c2)CC1 ZINC001172507511 1051424705 /nfs/dbraw/zinc/42/47/05/1051424705.db2.gz VMYRTLLMSHUQGX-CQSZACIVSA-N 1 0 306.837 4.266 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172507704 1051424943 /nfs/dbraw/zinc/42/49/43/1051424943.db2.gz ADZIPYCYLRRSFV-IKGGRYGDSA-N 1 0 305.453 4.260 20 30 DIEDRO C[C@@H](CCCC#N)[N@H+](Cc1ccccc1)C1CCSCC1 ZINC001172508376 1051425174 /nfs/dbraw/zinc/42/51/74/1051425174.db2.gz CKOAZUGTAJMKIU-INIZCTEOSA-N 1 0 302.487 4.467 20 30 DIEDRO CCCCCCC[C@@H](CCC)n1nc(COC)c2c1C[NH2+]C2 ZINC001172510511 1051426090 /nfs/dbraw/zinc/42/60/90/1051426090.db2.gz DODIORMEJSLJTN-OAHLLOKOSA-N 1 0 307.482 4.334 20 30 DIEDRO CCCCCCC[C@@H](CCC)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001172510754 1051426112 /nfs/dbraw/zinc/42/61/12/1051426112.db2.gz IONLSIDAHUWCTP-SJORKVTESA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001172509431 1051426138 /nfs/dbraw/zinc/42/61/38/1051426138.db2.gz WPJNNTRAJVGWJS-MSOLQXFVSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC001172510715 1051426299 /nfs/dbraw/zinc/42/62/99/1051426299.db2.gz IAGSKVVQYJTKGG-VQTJNVASSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001172509328 1051426420 /nfs/dbraw/zinc/42/64/20/1051426420.db2.gz WEWMGFCKPHLLGE-HOTGVXAUSA-N 1 0 300.487 4.025 20 30 DIEDRO CCOc1ccc(NC2CC[NH+]([C@H](C)CCCC#N)CC2)cc1 ZINC001172509580 1051426749 /nfs/dbraw/zinc/42/67/49/1051426749.db2.gz MLUPEQZKYCCMQG-MRXNPFEDSA-N 1 0 315.461 4.044 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001172509587 1051427002 /nfs/dbraw/zinc/42/70/02/1051427002.db2.gz ZQZYCAHGPKLSKL-MRXNPFEDSA-N 1 0 317.539 4.073 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000766450838 1051427995 /nfs/dbraw/zinc/42/79/95/1051427995.db2.gz LWKMCGZKJUJPGK-UKRRQHHQSA-N 1 0 311.878 4.364 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172511766 1051428219 /nfs/dbraw/zinc/42/82/19/1051428219.db2.gz WPHWXKGBOHEGEY-DLBZAZTESA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172512084 1051428627 /nfs/dbraw/zinc/42/86/27/1051428627.db2.gz YNSVRPJRRIMIGS-IPMKNSEASA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001172512001 1051428860 /nfs/dbraw/zinc/42/88/60/1051428860.db2.gz XTVUUEMDZBDJBN-MSOLQXFVSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCC[C@@H](CCCC)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001172511800 1051428965 /nfs/dbraw/zinc/42/89/65/1051428965.db2.gz ADIPDWBMEFOXTE-CVEARBPZSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCC[C@H](CCCC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001172517094 1051430411 /nfs/dbraw/zinc/43/04/11/1051430411.db2.gz NQLKUHUSQCBVIV-KRWDZBQOSA-N 1 0 317.477 4.020 20 30 DIEDRO CCCCCCCCCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804523628 1051436618 /nfs/dbraw/zinc/43/66/18/1051436618.db2.gz XDKWXZNQWWEMLP-ZWKOTPCHSA-N 1 0 308.510 4.212 20 30 DIEDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCCCC#N ZINC001172566009 1051444921 /nfs/dbraw/zinc/44/49/21/1051444921.db2.gz AWXBJBUIFFDRFY-NSHDSACASA-N 1 0 300.780 4.223 20 30 DIEDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ccc(C#N)o1 ZINC001172575897 1051448612 /nfs/dbraw/zinc/44/86/12/1051448612.db2.gz LCAPIEVLLYGYEY-JTQLQIEISA-N 1 0 324.758 4.194 20 30 DIEDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1cc(C#N)co1 ZINC001172572822 1051448768 /nfs/dbraw/zinc/44/87/68/1051448768.db2.gz LVIOPKCXLABJBI-SNVBAGLBSA-N 1 0 324.758 4.194 20 30 DIEDRO Cc1cccc(C)c1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001168875068 1051460728 /nfs/dbraw/zinc/46/07/28/1051460728.db2.gz VTQMQKQUQUUMQR-UHFFFAOYSA-N 1 0 302.421 4.464 20 30 DIEDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC001168969581 1051481208 /nfs/dbraw/zinc/48/12/08/1051481208.db2.gz WWRSTVKAQCMBKK-KRWDZBQOSA-N 1 0 308.425 4.339 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001169044848 1051494093 /nfs/dbraw/zinc/49/40/93/1051494093.db2.gz NMTUNLYREZBFCF-AWEZNQCLSA-N 1 0 315.392 4.110 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001172761505 1051499268 /nfs/dbraw/zinc/49/92/68/1051499268.db2.gz RQQBNQJVDPNKBF-JKSUJKDBSA-N 1 0 319.445 4.022 20 30 DIEDRO N#Cc1ccc(CC[NH2+]C2CCC(Cc3ccccc3)CC2)cc1 ZINC001172819093 1051512602 /nfs/dbraw/zinc/51/26/02/1051512602.db2.gz YJHGFFPPECXOME-UHFFFAOYSA-N 1 0 318.464 4.492 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC001172869487 1051526620 /nfs/dbraw/zinc/52/66/20/1051526620.db2.gz CAAVRBTUZXEUEF-ZDUSSCGKSA-N 1 0 316.857 4.482 20 30 DIEDRO CCCC[C@H]([NH2+]CCCOc1ccc(C#N)cc1)C1CCC1 ZINC001169110440 1051531246 /nfs/dbraw/zinc/53/12/46/1051531246.db2.gz BCQIAJUVQRWRHB-IBGZPJMESA-N 1 0 300.446 4.276 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCCCCCS ZINC001172846998 1051534525 /nfs/dbraw/zinc/53/45/25/1051534525.db2.gz BNZSTQFAONIUFB-GFCCVEGCSA-N 1 0 303.874 4.490 20 30 DIEDRO CC1(C)C[C@@H](Nc2ccc3nc(C#N)ccc3c2)C[C@](C)(C[NH3+])C1 ZINC001169153317 1051537420 /nfs/dbraw/zinc/53/74/20/1051537420.db2.gz RYJMCQBBMGEPOS-XLIONFOSSA-N 1 0 322.456 4.062 20 30 DIEDRO CC1(C)C[C@H](Nc2ccc3nc(C#N)ccc3c2)C[C@](C)(C[NH3+])C1 ZINC001169153314 1051538008 /nfs/dbraw/zinc/53/80/08/1051538008.db2.gz RYJMCQBBMGEPOS-PXNSSMCTSA-N 1 0 322.456 4.062 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cccc(C#N)c1 ZINC001172854119 1051539708 /nfs/dbraw/zinc/53/97/08/1051539708.db2.gz HVOKWFLEIZHUEA-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC001172870684 1051556966 /nfs/dbraw/zinc/55/69/66/1051556966.db2.gz LLVIVUQKCQJKJH-ZDUSSCGKSA-N 1 0 316.857 4.482 20 30 DIEDRO C=CCN1CCC[C@H]1C[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001172876842 1051561298 /nfs/dbraw/zinc/56/12/98/1051561298.db2.gz CYDWYDJMJNXCNL-ZBFHGGJFSA-N 1 0 324.921 4.061 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3ccccc3CC#N)cc2)CC1 ZINC001212691179 1051569029 /nfs/dbraw/zinc/56/90/29/1051569029.db2.gz CIBVKZXUUPCQBN-UHFFFAOYSA-N 1 0 305.425 4.305 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCc2cc(C)ccn2)cc1 ZINC001169324614 1051578423 /nfs/dbraw/zinc/57/84/23/1051578423.db2.gz RSPHAOIGSKFKJJ-NRFANRHFSA-N 1 0 321.468 4.368 20 30 DIEDRO Cc1cccc(C#N)c1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212691648 1051579165 /nfs/dbraw/zinc/57/91/65/1051579165.db2.gz XFJBVHDCWCMAIR-UHFFFAOYSA-N 1 0 305.425 4.420 20 30 DIEDRO C[Si](C)(C)C#C[NH2+][C@@H]1CCc2c1cccc2OC(F)(F)F ZINC001169360161 1051587022 /nfs/dbraw/zinc/58/70/22/1051587022.db2.gz UOAPZQSASRKCQV-CYBMUJFWSA-N 1 0 313.395 4.000 20 30 DIEDRO C[C@@H]1C[C@H](Nc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c2ccccc21 ZINC001169372710 1051593031 /nfs/dbraw/zinc/59/30/31/1051593031.db2.gz AGZWVJJYFXEVRN-JZFWZYODSA-N 1 0 318.424 4.440 20 30 DIEDRO C[C@@](C#N)(Nc1cccc2c1CC[C@@H]2[NH3+])c1ccccc1Cl ZINC001169389330 1051606214 /nfs/dbraw/zinc/60/62/14/1051606214.db2.gz RHBADDOQAZLLJE-WMZOPIPTSA-N 1 0 311.816 4.137 20 30 DIEDRO N#CCC[N@H+]([C@@H]1CCc2ncsc2C1)C1CCCCCCC1 ZINC001173140182 1051623279 /nfs/dbraw/zinc/62/32/79/1051623279.db2.gz XEPWUOYGUZZMRN-MRXNPFEDSA-N 1 0 317.502 4.329 20 30 DIEDRO CC(C)(Nc1cc[nH+]c(CC#N)c1)c1cc(Cl)cc(Cl)c1 ZINC001169463021 1051625042 /nfs/dbraw/zinc/62/50/42/1051625042.db2.gz KYECIYHJCKURPI-UHFFFAOYSA-N 1 0 320.223 4.224 20 30 DIEDRO C#Cc1cccc(C[NH2+]C2CCC(Oc3ccccc3)CC2)c1 ZINC001173200931 1051631273 /nfs/dbraw/zinc/63/12/73/1051631273.db2.gz TZLWFZVLIQVKPE-UHFFFAOYSA-N 1 0 305.421 4.148 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)ccc1F ZINC000493573433 1051636860 /nfs/dbraw/zinc/63/68/60/1051636860.db2.gz PBGKLHDZQYJNSI-PXNSSMCTSA-N 1 0 308.400 4.198 20 30 DIEDRO Cc1c(Cl)c(C#N)ccc1Nc1cccc(C[NH+](C)C)c1F ZINC001216232926 1051642284 /nfs/dbraw/zinc/64/22/84/1051642284.db2.gz QBORJDKJKSLAPS-UHFFFAOYSA-N 1 0 317.795 4.464 20 30 DIEDRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCCC#N)CC2 ZINC000493917627 1051666066 /nfs/dbraw/zinc/66/60/66/1051666066.db2.gz SRUAJFFDZIOGJF-AWEZNQCLSA-N 1 0 307.235 4.028 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc(F)c1CC#N ZINC001169690506 1051673752 /nfs/dbraw/zinc/67/37/52/1051673752.db2.gz WOOLBZSWGYGSBS-KRWDZBQOSA-N 1 0 309.388 4.132 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2c(C#N)c[nH]c2c1 ZINC001169692442 1051675602 /nfs/dbraw/zinc/67/56/02/1051675602.db2.gz SZQFGHQESLUSQJ-SFHVURJKSA-N 1 0 316.408 4.280 20 30 DIEDRO CCCCCCCC[C@H](CCC)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001173309760 1051681617 /nfs/dbraw/zinc/68/16/17/1051681617.db2.gz KWJJZLUALWRYIN-IRXDYDNUSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001173309023 1051682343 /nfs/dbraw/zinc/68/23/43/1051682343.db2.gz FEWITHKQAXTELI-QGZVFWFLSA-N 1 0 324.509 4.480 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC001173312774 1051683703 /nfs/dbraw/zinc/68/37/03/1051683703.db2.gz LZANGHZVZLZUDU-UHFFFAOYSA-N 1 0 324.262 4.053 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173310774 1051683804 /nfs/dbraw/zinc/68/38/04/1051683804.db2.gz YUVGCSSUINZVKG-SJORKVTESA-N 1 0 309.498 4.007 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001173310865 1051683912 /nfs/dbraw/zinc/68/39/12/1051683912.db2.gz ZISUDVFOCMMBEY-MJGOQNOKSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+]C1CCS(=O)(=O)CC1 ZINC001173310734 1051684320 /nfs/dbraw/zinc/68/43/20/1051684320.db2.gz YGOBZVHCYBRTEE-INIZCTEOSA-N 1 0 317.539 4.073 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001173314116 1051686354 /nfs/dbraw/zinc/68/63/54/1051686354.db2.gz IZBVBMRAKUYLEQ-LEOMRAHMSA-N 1 0 305.849 4.431 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)[O-] ZINC001173285554 1051687617 /nfs/dbraw/zinc/68/76/17/1051687617.db2.gz WMVIQYNEUFAQBE-SJORKVTESA-N 1 0 314.514 4.078 20 30 DIEDRO CC[N@@H+](CCC#N)CCCCOc1cccc(C(F)(F)F)c1 ZINC000348543602 1051687750 /nfs/dbraw/zinc/68/77/50/1051687750.db2.gz KRMJDDAWXNTTBH-UHFFFAOYSA-N 1 0 314.351 4.100 20 30 DIEDRO C[N@H+](Cc1cccc2[nH]ccc21)Cc1ccc(C#N)cc1Cl ZINC000494070949 1051688121 /nfs/dbraw/zinc/68/81/21/1051688121.db2.gz ZKRGZSZKPFFYFZ-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C1(CO)CCOCC1 ZINC001173284146 1051688109 /nfs/dbraw/zinc/68/81/09/1051688109.db2.gz CUWLQFQCELNJGH-GOSISDBHSA-N 1 0 313.526 4.427 20 30 DIEDRO CCCCCCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169728332 1051688526 /nfs/dbraw/zinc/68/85/26/1051688526.db2.gz KPZATNNJOGFPFE-IBGZPJMESA-N 1 0 316.489 4.241 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001173322986 1051692051 /nfs/dbraw/zinc/69/20/51/1051692051.db2.gz AGOTVCXEPSMQOH-ACBHZAAOSA-N 1 0 300.446 4.041 20 30 DIEDRO N#CCC1CCC([NH2+]CCSc2ccc(Cl)cc2)CC1 ZINC001173325204 1051692806 /nfs/dbraw/zinc/69/28/06/1051692806.db2.gz DHBHEKOZUNAKNV-UHFFFAOYSA-N 1 0 308.878 4.494 20 30 DIEDRO C=CCOC1CCC([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001173321220 1051693057 /nfs/dbraw/zinc/69/30/57/1051693057.db2.gz YRJKABRXCNPNEC-UHFFFAOYSA-N 1 0 303.490 4.401 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC001173324365 1051693118 /nfs/dbraw/zinc/69/31/18/1051693118.db2.gz MXQSALBTEHAKPR-UHFFFAOYSA-N 1 0 313.264 4.073 20 30 DIEDRO C=CCOC1CCC([NH+]2CCC(Oc3ccccc3)CC2)CC1 ZINC001173321978 1051693179 /nfs/dbraw/zinc/69/31/79/1051693179.db2.gz UGEXGDLBKZSYFS-UHFFFAOYSA-N 1 0 315.457 4.044 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001173321137 1051693382 /nfs/dbraw/zinc/69/33/82/1051693382.db2.gz XNVSKAJXSTXBQH-MWXLCCTBSA-N 1 0 313.485 4.455 20 30 DIEDRO C=CCOC1CCC(n2c3ccc(C)cc3c3c2CC[NH2+]C3)CC1 ZINC001173327909 1051694580 /nfs/dbraw/zinc/69/45/80/1051694580.db2.gz VMZLDDFNURLKTO-UHFFFAOYSA-N 1 0 324.468 4.282 20 30 DIEDRO N#CCC1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001173328574 1051694635 /nfs/dbraw/zinc/69/46/35/1051694635.db2.gz FUIYOXCRKGROKY-SYGMWZTRSA-N 1 0 302.849 4.259 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001173327740 1051694643 /nfs/dbraw/zinc/69/46/43/1051694643.db2.gz INTXNJHFPYQNSU-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCC(OCC=C)CC1 ZINC001173327184 1051694992 /nfs/dbraw/zinc/69/49/92/1051694992.db2.gz INMLZYALHBPEDR-GZNCHQMQSA-N 1 0 309.453 4.123 20 30 DIEDRO C=CCOC1CCC([N@@H+](C)CCCc2cccc(OC)c2)CC1 ZINC001173326740 1051695208 /nfs/dbraw/zinc/69/52/08/1051695208.db2.gz OZAPPDYXBFMBMB-UHFFFAOYSA-N 1 0 317.473 4.073 20 30 DIEDRO CC[N@H+](CCc1ccc(OC)cc1)C1CCC(CC#N)CC1 ZINC001173336992 1051696587 /nfs/dbraw/zinc/69/65/87/1051696587.db2.gz UWKWUYDVNIKSQK-UHFFFAOYSA-N 1 0 300.446 4.032 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001173331934 1051696797 /nfs/dbraw/zinc/69/67/97/1051696797.db2.gz FWFYVTRLBPOZTN-MWHAMWOXSA-N 1 0 303.837 4.248 20 30 DIEDRO N#CCC1CCC([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001173332317 1051696808 /nfs/dbraw/zinc/69/68/08/1051696808.db2.gz KWNXNHNPVNEWIH-PXCJXSSVSA-N 1 0 304.821 4.226 20 30 DIEDRO COc1cccc(CC(C)(C)[NH2+]C2CCC(CC#N)CC2)c1 ZINC001173333970 1051697344 /nfs/dbraw/zinc/69/73/44/1051697344.db2.gz SGFIJYCEFOALRH-UHFFFAOYSA-N 1 0 300.446 4.078 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]C2CCC(CC#N)CC2)c1 ZINC001173333407 1051697698 /nfs/dbraw/zinc/69/76/98/1051697698.db2.gz HVUIOQSBSREHNQ-UHFFFAOYSA-N 1 0 300.446 4.426 20 30 DIEDRO COc1ccccc1CC1(C[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173331721 1051697843 /nfs/dbraw/zinc/69/78/43/1051697843.db2.gz DXUFBHFZRAPWHF-UHFFFAOYSA-N 1 0 312.457 4.080 20 30 DIEDRO CC[N@H+](Cc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1)C(C)C ZINC000805901534 1051697817 /nfs/dbraw/zinc/69/78/17/1051697817.db2.gz OUDKZNSYULUQLB-HNNXBMFYSA-N 1 0 316.445 4.012 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(n3cnc4ccccc43)CC2)CC1 ZINC001173339157 1051698990 /nfs/dbraw/zinc/69/89/90/1051698990.db2.gz LUSGZCXVGQQQON-UHFFFAOYSA-N 1 0 322.456 4.146 20 30 DIEDRO COc1ccccc1C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337875 1051699179 /nfs/dbraw/zinc/69/91/79/1051699179.db2.gz UZSSSAPFZNOCNF-UHFFFAOYSA-N 1 0 312.457 4.347 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001173340299 1051699594 /nfs/dbraw/zinc/69/95/94/1051699594.db2.gz ZPTOEDFTNHXKFB-UHFFFAOYSA-N 1 0 300.421 4.478 20 30 DIEDRO N#CCC1CCC([NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC001173339362 1051699694 /nfs/dbraw/zinc/69/96/94/1051699694.db2.gz NPWVDZBQTPXAMN-UHFFFAOYSA-N 1 0 312.457 4.250 20 30 DIEDRO [NH2+]=C(N[C@@H]1CCCC2(CCCCC2)C1)c1ccc(Cl)cn1 ZINC001173347487 1051707413 /nfs/dbraw/zinc/70/74/13/1051707413.db2.gz DKXPMRXCTMGQMW-CQSZACIVSA-N 1 0 305.853 4.333 20 30 DIEDRO C=CCOC1CCC(n2c3ccccc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001173318370 1051710321 /nfs/dbraw/zinc/71/03/21/1051710321.db2.gz RISINQKRMHVSAB-KLAILNCOSA-N 1 0 324.468 4.144 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC1 ZINC001173318125 1051710456 /nfs/dbraw/zinc/71/04/56/1051710456.db2.gz VQSHCJXQHQDSFR-VMBOVVBDSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(c3cccc(OC)c3)CCC2)CC1 ZINC001173315976 1051710929 /nfs/dbraw/zinc/71/09/29/1051710929.db2.gz DDUAANPTBPICGI-UHFFFAOYSA-N 1 0 315.457 4.178 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC001173318772 1051711038 /nfs/dbraw/zinc/71/10/38/1051711038.db2.gz LMADQUNSXATOBX-JFIBYHEFSA-N 1 0 303.421 4.307 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843666 1051711182 /nfs/dbraw/zinc/71/11/82/1051711182.db2.gz HFHUVXRNBIQWQG-HZPDHXFCSA-N 1 0 309.400 4.065 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(Cc3ccc(F)cc3)CC2)CC1 ZINC001173317398 1051711421 /nfs/dbraw/zinc/71/14/21/1051711421.db2.gz HPPFRHLJCVNENT-UHFFFAOYSA-N 1 0 303.421 4.004 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(c3ccccc3F)CCC2)CC1 ZINC001173316456 1051711811 /nfs/dbraw/zinc/71/18/11/1051711811.db2.gz KNPXQDCPSJJWDX-UHFFFAOYSA-N 1 0 303.421 4.308 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001173319014 1051712585 /nfs/dbraw/zinc/71/25/85/1051712585.db2.gz UXUUDHZXFVRERF-JTTJXQCZSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@H](O)CCc2ccccc2)CCCC1(C)C ZINC001169843502 1051712590 /nfs/dbraw/zinc/71/25/90/1051712590.db2.gz FKETYCBAIJXPSD-RTBURBONSA-N 1 0 301.474 4.047 20 30 DIEDRO CC(C)[Si](C#C[NH2+]CCc1cncs1)(C(C)C)C(C)C ZINC001169863660 1051719252 /nfs/dbraw/zinc/71/92/52/1051719252.db2.gz PGZJRRGGLCADMY-UHFFFAOYSA-N 1 0 308.567 4.454 20 30 DIEDRO C#CCCC[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000766903348 1051740718 /nfs/dbraw/zinc/74/07/18/1051740718.db2.gz CWAVCAQYSGVBPJ-HNNXBMFYSA-N 1 0 307.869 4.051 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC[C@@H]2CCc3ccc4c(c32)CCO4)CC1 ZINC001173588254 1051755738 /nfs/dbraw/zinc/75/57/38/1051755738.db2.gz FOMANBBNKRTRQT-BQJIDLTASA-N 1 0 324.468 4.103 20 30 DIEDRO C[N@H+](Cc1ccccc1Br)C1CCC(C)(C#N)CC1 ZINC001173592564 1051755748 /nfs/dbraw/zinc/75/57/48/1051755748.db2.gz TYULQKYXZMGJPF-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO CC1(C#N)CCC([NH2+]CC2(Cc3ccccc3F)CC2)CC1 ZINC001173591126 1051755795 /nfs/dbraw/zinc/75/57/95/1051755795.db2.gz JQMNMYPEMSLMGF-UHFFFAOYSA-N 1 0 300.421 4.210 20 30 DIEDRO CC(C)(C[NH2+]C1CCC(C)(C#N)CC1)Cc1cccc(F)c1 ZINC001173591495 1051755874 /nfs/dbraw/zinc/75/58/74/1051755874.db2.gz RZEXBYJYKXSDFQ-UHFFFAOYSA-N 1 0 302.437 4.456 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001173591956 1051755893 /nfs/dbraw/zinc/75/58/93/1051755893.db2.gz AFMQPFCDKTYTHG-UHFFFAOYSA-N 1 0 310.441 4.054 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC001173596156 1051757753 /nfs/dbraw/zinc/75/77/53/1051757753.db2.gz LQAOFGIUWGYOJR-UHFFFAOYSA-N 1 0 300.421 4.478 20 30 DIEDRO COc1cccc(CCC[N@H+](C)C2CCC(C)(C#N)CC2)c1 ZINC001173598562 1051758058 /nfs/dbraw/zinc/75/80/58/1051758058.db2.gz QUGIORHEFSEGSP-UHFFFAOYSA-N 1 0 300.446 4.032 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001173599018 1051758559 /nfs/dbraw/zinc/75/85/59/1051758559.db2.gz YFSGTUVVNJFKNI-GPJFCIFZSA-N 1 0 312.457 4.140 20 30 DIEDRO Cc1cc(C[N@H+](Cc2ccccc2)C2CCC(C)(C#N)CC2)on1 ZINC001173598174 1051758656 /nfs/dbraw/zinc/75/86/56/1051758656.db2.gz NSKCPHAOIQULOK-UHFFFAOYSA-N 1 0 323.440 4.458 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806166847 1051766746 /nfs/dbraw/zinc/76/67/46/1051766746.db2.gz YIAUMUNKUBHZJA-INIZCTEOSA-N 1 0 314.816 4.077 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000806168558 1051768617 /nfs/dbraw/zinc/76/86/17/1051768617.db2.gz RIODWHLAMLYZGF-LJQANCHMSA-N 1 0 315.436 4.375 20 30 DIEDRO N#CC1(C[NH2+]C2CCC3(CCc4ccccc43)CC2)CCCC1 ZINC001173684751 1051769098 /nfs/dbraw/zinc/76/90/98/1051769098.db2.gz RQNCSXFCDUCMCM-UHFFFAOYSA-N 1 0 308.469 4.487 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173653950 1051776174 /nfs/dbraw/zinc/77/61/74/1051776174.db2.gz PXLYZKZRPRUORE-MOPGFXCFSA-N 1 0 315.457 4.187 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CC[C@H](CC(=O)OCC)C1)c1ccccc1 ZINC001173651997 1051777050 /nfs/dbraw/zinc/77/70/50/1051777050.db2.gz PVIJCRZXJXYHRU-CGTJXYLNSA-N 1 0 301.430 4.015 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173653954 1051777271 /nfs/dbraw/zinc/77/72/71/1051777271.db2.gz PXLYZKZRPRUORE-RBUKOAKNSA-N 1 0 315.457 4.187 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000185802729 1051784358 /nfs/dbraw/zinc/78/43/58/1051784358.db2.gz AHLOZLLNFIABLZ-HKUYNNGSSA-N 1 0 320.436 4.404 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185818678 1051786962 /nfs/dbraw/zinc/78/69/62/1051786962.db2.gz LCLLTAJPDQUCDQ-INWMFGNUSA-N 1 0 310.363 4.308 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185890699 1051788730 /nfs/dbraw/zinc/78/87/30/1051788730.db2.gz KUARDPTZBDFWJK-YLJYHZDGSA-N 1 0 315.420 4.397 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000185886040 1051789048 /nfs/dbraw/zinc/78/90/48/1051789048.db2.gz LFDYPJJHGYSBRF-HOCLYGCPSA-N 1 0 317.502 4.405 20 30 DIEDRO Cc1cc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)ccc1C#N ZINC000767687045 1051838768 /nfs/dbraw/zinc/83/87/68/1051838768.db2.gz CHWLYBUUDGJSTR-OAQYLSRUSA-N 1 0 320.436 4.124 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCCc2ccc(F)cc2)s1 ZINC000494246385 1051855111 /nfs/dbraw/zinc/85/51/11/1051855111.db2.gz ANACEJPUTQKLGT-UHFFFAOYSA-N 1 0 302.418 4.261 20 30 DIEDRO CC(C)c1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001173893700 1051859573 /nfs/dbraw/zinc/85/95/73/1051859573.db2.gz KYWZLKABIPXIMB-UHFFFAOYSA-N 1 0 311.454 4.475 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCC2)cc1 ZINC000767901468 1051864087 /nfs/dbraw/zinc/86/40/87/1051864087.db2.gz HQMGWFMQLIQYPM-UXHICEINSA-N 1 0 312.457 4.026 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000767989488 1051870320 /nfs/dbraw/zinc/87/03/20/1051870320.db2.gz MLMQMNYAXQIHJV-HKUYNNGSSA-N 1 0 315.457 4.044 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000767989489 1051870502 /nfs/dbraw/zinc/87/05/02/1051870502.db2.gz MLMQMNYAXQIHJV-IEBWSBKVSA-N 1 0 315.457 4.044 20 30 DIEDRO CC[C@@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)c1cccc(C#N)c1 ZINC001169980624 1051877723 /nfs/dbraw/zinc/87/77/23/1051877723.db2.gz DOIGAHMQLCDIDP-QGZVFWFLSA-N 1 0 315.461 4.010 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000609194931 1051882849 /nfs/dbraw/zinc/88/28/49/1051882849.db2.gz RJEXLHNINYNQLK-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO CCC1CCC([N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000768262078 1051912936 /nfs/dbraw/zinc/91/29/36/1051912936.db2.gz GEOGFOCPJYNBDI-KLHKWILBSA-N 1 0 300.446 4.378 20 30 DIEDRO C=CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000807591103 1051914384 /nfs/dbraw/zinc/91/43/84/1051914384.db2.gz AHKIERCHLQSBRE-MSOLQXFVSA-N 1 0 323.525 4.027 20 30 DIEDRO CC(C)[Si](C#C[NH2+]Cc1ccc(O)c(O)c1)(C(C)C)C(C)C ZINC001169992732 1051934906 /nfs/dbraw/zinc/93/49/06/1051934906.db2.gz LSTHELBYTSVNSO-UHFFFAOYSA-N 1 0 319.521 4.366 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1Br)CC1CCCCC1 ZINC001137639279 1051936674 /nfs/dbraw/zinc/93/66/74/1051936674.db2.gz VVCCCWZUZADPBJ-UHFFFAOYSA-N 1 0 321.262 4.333 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000768530627 1051939859 /nfs/dbraw/zinc/93/98/59/1051939859.db2.gz NJBWBCKUYUNOPV-CYBMUJFWSA-N 1 0 320.314 4.160 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)c1 ZINC000768598075 1051947576 /nfs/dbraw/zinc/94/75/76/1051947576.db2.gz OIJVAAPLXUVECT-JFIYKMOQSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191529975 1051975135 /nfs/dbraw/zinc/97/51/35/1051975135.db2.gz XAZVQGWXBVNXIL-SWLSCSKDSA-N 1 0 303.381 4.271 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000769006789 1051993315 /nfs/dbraw/zinc/99/33/15/1051993315.db2.gz IGDXBRZEPANTFG-FQEVSTJZSA-N 1 0 311.473 4.191 20 30 DIEDRO CCCCCCCCC(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C ZINC001131228375 1051994347 /nfs/dbraw/zinc/99/43/47/1051994347.db2.gz GSFLHTIESWDHLX-ROUUACIJSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCOc1cccc(C[NH+]2CCC(C#N)CC2)c1 ZINC000769192064 1052000440 /nfs/dbraw/zinc/00/04/40/1052000440.db2.gz BZBGRXOZEAPKPH-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)cc1 ZINC000769165959 1052005254 /nfs/dbraw/zinc/00/52/54/1052005254.db2.gz XIVMGFWKCHYKAH-WBVHZDCISA-N 1 0 300.446 4.378 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000808419121 1052020898 /nfs/dbraw/zinc/02/08/98/1052020898.db2.gz LWTLBYVQPWIDHM-UHFFFAOYSA-N 1 0 301.459 4.431 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccnc2c(Br)cccc12 ZINC001205109162 1052060764 /nfs/dbraw/zinc/06/07/64/1052060764.db2.gz XTWAIASIJSWLDB-UHFFFAOYSA-N 1 0 319.246 4.395 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccncc1 ZINC000769519984 1052076043 /nfs/dbraw/zinc/07/60/43/1052076043.db2.gz VCDJLCJGVPDPEI-SFHVURJKSA-N 1 0 324.424 4.134 20 30 DIEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769538855 1052077675 /nfs/dbraw/zinc/07/76/75/1052077675.db2.gz YKWXIYGQNJYFKX-FCEWJHQRSA-N 1 0 300.446 4.378 20 30 DIEDRO C#CCCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)cc1 ZINC000769537662 1052078100 /nfs/dbraw/zinc/07/81/00/1052078100.db2.gz ODAHEFPPBKNZQA-OAQYLSRUSA-N 1 0 322.452 4.154 20 30 DIEDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CCC(C#N)CC2)c1O ZINC000808717992 1052078956 /nfs/dbraw/zinc/07/89/56/1052078956.db2.gz JQZBAOCIZLDXOI-HSBZDZAISA-N 1 0 306.837 4.335 20 30 DIEDRO CN(C)c1ccc(C[N@H+](CCCCC(C)(C)C#N)C2CC2)cc1 ZINC000769708104 1052095992 /nfs/dbraw/zinc/09/59/92/1052095992.db2.gz JVRTWDBDGPKCHM-UHFFFAOYSA-N 1 0 313.489 4.437 20 30 DIEDRO C[C@@H]1C[NH2+]CCC[C@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217778251 1052140054 /nfs/dbraw/zinc/14/00/54/1052140054.db2.gz KZILYBPCBMXVQB-YSOFSAIFSA-N 1 0 308.425 4.170 20 30 DIEDRO C[C@H]1CC[NH2+]CC[C@H]1OCc1ccc(-c2ccccc2C#N)cc1 ZINC001217779807 1052141782 /nfs/dbraw/zinc/14/17/82/1052141782.db2.gz DIANFFPDXJNGDK-HRAATJIYSA-N 1 0 320.436 4.130 20 30 DIEDRO N#Cc1cccc([C@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000761757764 1052151685 /nfs/dbraw/zinc/15/16/85/1052151685.db2.gz BVTCUYCMFBZRRB-NHCUHLMSSA-N 1 0 318.420 4.009 20 30 DIEDRO CCCCCCC[C@@H](C)OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217842025 1052153110 /nfs/dbraw/zinc/15/31/10/1052153110.db2.gz XLHRTHUMIKXKBV-MSOLQXFVSA-N 1 0 311.510 4.301 20 30 DIEDRO N#Cc1cccc([C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)c1 ZINC000761757766 1052154669 /nfs/dbraw/zinc/15/46/69/1052154669.db2.gz BVTCUYCMFBZRRB-SFTDATJTSA-N 1 0 318.420 4.009 20 30 DIEDRO F[C@@H]1[C@H]2CC[C@@H](C[C@H]1O/C(=N/c1ccccc1)c1ccccc1)[NH2+]2 ZINC001217858815 1052156232 /nfs/dbraw/zinc/15/62/32/1052156232.db2.gz WBQKKFRWABFGMT-RYNIGYDHSA-N 1 0 324.399 4.013 20 30 DIEDRO c1ccc(/N=C(/OC2CCC3(C[NH2+]C3)CC2)c2ccccc2)cc1 ZINC001217853301 1052156906 /nfs/dbraw/zinc/15/69/06/1052156906.db2.gz SXOJABWGGNGTAM-BSYVCWPDSA-N 1 0 320.436 4.314 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](C(C)(C)OCCCCC2CC[NH2+]CC2)O1 ZINC001217870344 1052157851 /nfs/dbraw/zinc/15/78/51/1052157851.db2.gz SNKIPOOGKZICNN-MJGOQNOKSA-N 1 0 309.494 4.075 20 30 DIEDRO N#C[C@@H](OC[C@@H]1CCC[NH2+]C1)c1cccc(Oc2ccccc2)c1 ZINC001217870579 1052159925 /nfs/dbraw/zinc/15/99/25/1052159925.db2.gz NSLAMKQFGIYNCM-OXQOHEQNSA-N 1 0 322.408 4.060 20 30 DIEDRO CCCCCCCC[C@@H](C)OC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217891373 1052164885 /nfs/dbraw/zinc/16/48/85/1052164885.db2.gz OPXNPIJNUBISCR-QZTJIDSGSA-N 1 0 311.510 4.301 20 30 DIEDRO C=CCCCCCC[C@@H](C)OC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217894748 1052165827 /nfs/dbraw/zinc/16/58/27/1052165827.db2.gz JWSJFBPIZBLOAV-QZTJIDSGSA-N 1 0 309.494 4.077 20 30 DIEDRO C=C[C@H](CCCCCC)OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217896473 1052166198 /nfs/dbraw/zinc/16/61/98/1052166198.db2.gz RLFIFJKQMHYOQN-QZTJIDSGSA-N 1 0 309.494 4.077 20 30 DIEDRO C=C[C@@H](CCCCCC)OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217896476 1052167228 /nfs/dbraw/zinc/16/72/28/1052167228.db2.gz RLFIFJKQMHYOQN-ROUUACIJSA-N 1 0 309.494 4.077 20 30 DIEDRO CCCCCCCC[C@H](CC)OC[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001217897730 1052167297 /nfs/dbraw/zinc/16/72/97/1052167297.db2.gz RIGFRJZDAKGZOC-OKYOBFRVSA-N 1 0 311.510 4.299 20 30 DIEDRO C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCC[C@@H]([NH3+])c1ccc(OC)cc1 ZINC001217896563 1052167910 /nfs/dbraw/zinc/16/79/10/1052167910.db2.gz JMHLKTZVQFYIBQ-KCUHQSDYSA-N 1 0 317.473 4.483 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC000914570626 1052168928 /nfs/dbraw/zinc/16/89/28/1052168928.db2.gz XSNFXNRYVZCWNF-UHFFFAOYSA-N 1 0 304.393 4.129 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCc1ccc(OC(C)(C)C)cc1 ZINC001217926752 1052172163 /nfs/dbraw/zinc/17/21/63/1052172163.db2.gz KAVBMDXXZTYBPO-QZTJIDSGSA-N 1 0 303.446 4.077 20 30 DIEDRO [NH3+][C@H]1CC[C@H](CO[C@@H](C#Cc2ccccc2)c2ccccc2)CC1 ZINC001217926758 1052172350 /nfs/dbraw/zinc/17/23/50/1052172350.db2.gz CRCJOBMDYBKZFB-BVSLBCMMSA-N 1 0 319.448 4.314 20 30 DIEDRO CC1(C)C[C@@H](OCc2ccc(-c3ccccc3C#N)cc2)CC[NH2+]1 ZINC001217936470 1052173503 /nfs/dbraw/zinc/17/35/03/1052173503.db2.gz NYSNEIPENHCVJR-IBGZPJMESA-N 1 0 320.436 4.272 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001168474227 1052182120 /nfs/dbraw/zinc/18/21/20/1052182120.db2.gz QCUHQTLSNVNXTN-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO N#Cc1ccc(-c2ccc(O[C@H]3CCC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001218092208 1052195082 /nfs/dbraw/zinc/19/50/82/1052195082.db2.gz GYJSLMSXMAWMNS-SFTDATJTSA-N 1 0 318.420 4.136 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218094238 1052196007 /nfs/dbraw/zinc/19/60/07/1052196007.db2.gz MBYVKXFSYJSFHL-SFTDATJTSA-N 1 0 320.436 4.348 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000522630540 1052197172 /nfs/dbraw/zinc/19/71/72/1052197172.db2.gz QYBDASMJTZWPLV-INIZCTEOSA-N 1 0 311.425 4.328 20 30 DIEDRO N#Cc1ccc(-c2cccc(OC3CC4(C3)CC[NH2+]CC4)c2)cc1 ZINC001218106596 1052197614 /nfs/dbraw/zinc/19/76/14/1052197614.db2.gz XKZXRTKWTAMXOL-UHFFFAOYSA-N 1 0 318.420 4.136 20 30 DIEDRO N#Cc1cccc(-c2ccc(OC3CC4(C3)CC[NH2+]CC4)cc2)c1 ZINC001218106362 1052197992 /nfs/dbraw/zinc/19/79/92/1052197992.db2.gz QGIYVFLOESXMSZ-UHFFFAOYSA-N 1 0 318.420 4.136 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)cc1 ZINC001218111246 1052199311 /nfs/dbraw/zinc/19/93/11/1052199311.db2.gz PRDAGYJFTOFUIZ-MBOZVWFJSA-N 1 0 315.457 4.359 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(SCc2ccccc2)cc1 ZINC001218207408 1052206978 /nfs/dbraw/zinc/20/69/78/1052206978.db2.gz IUJNTJVEEMBEBW-LJQANCHMSA-N 1 0 311.450 4.276 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1 ZINC001218203047 1052207480 /nfs/dbraw/zinc/20/74/80/1052207480.db2.gz AJGNXTMGERGXBX-HXUWFJFHSA-N 1 0 323.436 4.015 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000495066907 1052207488 /nfs/dbraw/zinc/20/74/88/1052207488.db2.gz NMPDRZGRYLFTMI-KXBFYZLASA-N 1 0 315.844 4.204 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1Oc1ccccc1-c1nc2ccccc2s1 ZINC001218206049 1052207643 /nfs/dbraw/zinc/20/76/43/1052207643.db2.gz IQYFKOICFJDTRU-QGZVFWFLSA-N 1 0 322.433 4.260 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](Oc1ccc(C[NH3+])cc1)c1ccccc1 ZINC001218214195 1052208077 /nfs/dbraw/zinc/20/80/77/1052208077.db2.gz LTJJJYURGYJFPN-LJQANCHMSA-N 1 0 309.485 4.146 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC001218210498 1052208939 /nfs/dbraw/zinc/20/89/39/1052208939.db2.gz DPZYRQAMHYEYGU-GOSISDBHSA-N 1 0 309.369 4.105 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2cc(Cl)cs2)C2CC2)cc1 ZINC000495082833 1052210870 /nfs/dbraw/zinc/21/08/70/1052210870.db2.gz XWYJZCFLWBFMTF-UHFFFAOYSA-N 1 0 302.830 4.438 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001218252861 1052213444 /nfs/dbraw/zinc/21/34/44/1052213444.db2.gz VOINIKNKFDKVCC-NIKGAXFTSA-N 1 0 324.399 4.096 20 30 DIEDRO F[C@H]1[C@H]2CC[C@@H](C[C@@H]1Oc1ccc(/N=C/c3ccccc3)cc1)[NH2+]2 ZINC001218281157 1052217399 /nfs/dbraw/zinc/21/73/99/1052217399.db2.gz VVXGCDJNVIJMAY-IDHYDLRUSA-N 1 0 324.399 4.047 20 30 DIEDRO C=C[C@@H](CCCCCC)Oc1cccc([C@@H]([NH3+])CC(=O)OC)c1 ZINC001218354558 1052229413 /nfs/dbraw/zinc/22/94/13/1052229413.db2.gz GOKHMVYRDAYHLC-WMZOPIPTSA-N 1 0 319.445 4.153 20 30 DIEDRO C[C@@H]1CC[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C[NH2+]1 ZINC001218399843 1052234083 /nfs/dbraw/zinc/23/40/83/1052234083.db2.gz BUTIUJCFHDAHIY-ZUUKECRQSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@H]1CC[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C[NH2+]1 ZINC001218399841 1052234838 /nfs/dbraw/zinc/23/48/38/1052234838.db2.gz BUTIUJCFHDAHIY-ZJBRJIHHSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]1CC[C@@H](Oc2ccccc2C=Nc2ccc(F)cc2)C[NH2+]1 ZINC001218406246 1052236259 /nfs/dbraw/zinc/23/62/59/1052236259.db2.gz MYLQXJASDVBDPO-RDTXWAMCSA-N 1 0 312.388 4.096 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000130560065 1052237600 /nfs/dbraw/zinc/23/76/00/1052237600.db2.gz RVAYFIYZAQHWAR-FZKQIMNGSA-N 1 0 314.816 4.077 20 30 DIEDRO C=CC[C@H](CCCC)Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218437554 1052238723 /nfs/dbraw/zinc/23/87/23/1052238723.db2.gz CMHVCSRPUOWYIS-LJQANCHMSA-N 1 0 316.489 4.123 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc2cc(Cl)ccc2s1 ZINC001218451797 1052241126 /nfs/dbraw/zinc/24/11/26/1052241126.db2.gz KYNIQWQBNNOYKS-DGCLKSJQSA-N 1 0 308.834 4.025 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC001218451985 1052242066 /nfs/dbraw/zinc/24/20/66/1052242066.db2.gz LPARPIHUWIDXHN-NHCUHLMSSA-N 1 0 318.420 4.301 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000495183401 1052250006 /nfs/dbraw/zinc/25/00/06/1052250006.db2.gz KVLHGGPMKCLZLK-UHFFFAOYSA-N 1 0 321.424 4.209 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cncc(-c2ccccc2)c1 ZINC001218670859 1052254843 /nfs/dbraw/zinc/25/48/43/1052254843.db2.gz IRTUANWORRRLCH-IBGZPJMESA-N 1 0 323.440 4.151 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)Cc1ccsc1 ZINC000495244821 1052269362 /nfs/dbraw/zinc/26/93/62/1052269362.db2.gz XQJOWXTVGXMYGZ-CQSZACIVSA-N 1 0 314.454 4.081 20 30 DIEDRO C#CC[C@H]([NH3+])C(=O)Nc1ccc(/N=N/c2ccccc2C)cc1C ZINC001219203561 1052277198 /nfs/dbraw/zinc/27/71/98/1052277198.db2.gz JHUXFPLSLLHEAT-LSJZCYCUSA-N 1 0 320.396 4.008 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cc2scnc2c(C)c1 ZINC001219184364 1052277316 /nfs/dbraw/zinc/27/73/16/1052277316.db2.gz LXGRWJBRFYDUQY-AWEZNQCLSA-N 1 0 317.458 4.007 20 30 DIEDRO CC[N@H+](Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000311878051 1052284799 /nfs/dbraw/zinc/28/47/99/1052284799.db2.gz VGZXFLGARRIBOJ-UHFFFAOYSA-N 1 0 321.262 4.475 20 30 DIEDRO C=CCCCCCCCCC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220160429 1052321744 /nfs/dbraw/zinc/32/17/44/1052321744.db2.gz ZMLUAWUJUNEZBL-QUCCMNQESA-N 1 0 320.521 4.332 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220162716 1052322343 /nfs/dbraw/zinc/32/23/43/1052322343.db2.gz LDVMOMAZJNAVPE-JENIJYKNSA-N 1 0 308.510 4.022 20 30 DIEDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000487899325 1052327251 /nfs/dbraw/zinc/32/72/51/1052327251.db2.gz SCTNPQLPSUFRJA-UHFFFAOYSA-N 1 0 307.441 4.122 20 30 DIEDRO C=CCCCCCCCCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220500571 1052337945 /nfs/dbraw/zinc/33/79/45/1052337945.db2.gz JJOGDGDSTHUCGN-GOSISDBHSA-N 1 0 302.462 4.109 20 30 DIEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000315548633 1052344590 /nfs/dbraw/zinc/34/45/90/1052344590.db2.gz WXDQLUMBDKDYDV-MSOLQXFVSA-N 1 0 300.446 4.283 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2ccc(C#N)cc2)c(O)c1 ZINC000915113166 1052350972 /nfs/dbraw/zinc/35/09/72/1052350972.db2.gz PLRSQNARSQSJAT-YZLQOSHFSA-N 1 0 321.424 4.290 20 30 DIEDRO CC(C)[C@H](C/N=C\c1cc(Cl)ccc1O)[NH+]1CCC(C)CC1 ZINC000915113548 1052351307 /nfs/dbraw/zinc/35/13/07/1052351307.db2.gz YJOCCSIEUJNEQP-BCUAHEQISA-N 1 0 322.880 4.221 20 30 DIEDRO CC(C)[C@H](C/N=C/c1cc(Cl)ccc1O)[NH+]1CCC(C)CC1 ZINC000915113551 1052351400 /nfs/dbraw/zinc/35/14/00/1052351400.db2.gz YJOCCSIEUJNEQP-PBGVMVHZSA-N 1 0 322.880 4.221 20 30 DIEDRO CC(C)(C)c1ccc(CC[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000915229900 1052372421 /nfs/dbraw/zinc/37/24/21/1052372421.db2.gz XWELKGXUWWYZAL-UHFFFAOYSA-N 1 0 322.452 4.219 20 30 DIEDRO C[C@@H](C/N=C\c1c(O)ccc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000915271532 1052379771 /nfs/dbraw/zinc/37/97/71/1052379771.db2.gz ZRMWCJCBXKIXKQ-COMKGGRUSA-N 1 0 310.441 4.227 20 30 DIEDRO C=CC[C@@H](NC(=O)c1cccc([C@@H]2CCC[NH2+]2)c1)c1ccccc1 ZINC001221361467 1052387655 /nfs/dbraw/zinc/38/76/55/1052387655.db2.gz UHLYUUIDEHYZDF-VQTJNVASSA-N 1 0 320.436 4.158 20 30 DIEDRO CCC1(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CCCCC1 ZINC000762569292 1052402499 /nfs/dbraw/zinc/40/24/99/1052402499.db2.gz UAPXSPFXIWTIPG-MRXNPFEDSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237339657 1052438436 /nfs/dbraw/zinc/43/84/36/1052438436.db2.gz BJLRBTOGVBZSIE-SFHVURJKSA-N 1 0 322.452 4.480 20 30 DIEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609224149 1052456583 /nfs/dbraw/zinc/45/65/83/1052456583.db2.gz KULGOAVKOPFHCJ-HRAATJIYSA-N 1 0 320.436 4.415 20 30 DIEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609224152 1052457224 /nfs/dbraw/zinc/45/72/24/1052457224.db2.gz KULGOAVKOPFHCJ-KKSFZXQISA-N 1 0 320.436 4.415 20 30 DIEDRO CC[N@H+](CCc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000153697580 1052469850 /nfs/dbraw/zinc/46/98/50/1052469850.db2.gz FHZCJRKLZJJMDO-KRWDZBQOSA-N 1 0 308.425 4.042 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCSC(C)(C)CC2)cc1 ZINC000619054190 1052471206 /nfs/dbraw/zinc/47/12/06/1052471206.db2.gz HNNCIAZYMZYUCY-UHFFFAOYSA-N 1 0 302.487 4.205 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000193871761 1052509207 /nfs/dbraw/zinc/50/92/07/1052509207.db2.gz GZEARFGYLPVDKD-GOSISDBHSA-N 1 0 309.369 4.097 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001222648488 1052522935 /nfs/dbraw/zinc/52/29/35/1052522935.db2.gz GEGKMGQPCQNJJS-LJQANCHMSA-N 1 0 305.425 4.394 20 30 DIEDRO CCc1ccc([C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000763231549 1052548242 /nfs/dbraw/zinc/54/82/42/1052548242.db2.gz CJIGMCLEDCBXFV-NHCUHLMSSA-N 1 0 322.452 4.141 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(c3ccccn3)CC2)cc1 ZINC000614177330 1052554522 /nfs/dbraw/zinc/55/45/22/1052554522.db2.gz KLHLGENIEXENGS-UHFFFAOYSA-N 1 0 319.452 4.262 20 30 DIEDRO C[C@H](C/N=C\c1c(O)ccc2ccccc21)[NH+]1CCCCCC1 ZINC000915979695 1052573555 /nfs/dbraw/zinc/57/35/55/1052573555.db2.gz JBHNOTNNOKMDSD-KQRQPNSISA-N 1 0 310.441 4.229 20 30 DIEDRO C=C[C@@H](O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001223310287 1052586327 /nfs/dbraw/zinc/58/63/27/1052586327.db2.gz GXZNVGXYUMYTQE-NHCUHLMSSA-N 1 0 318.420 4.076 20 30 DIEDRO CC(=NNc1ccccc1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000916540193 1052613417 /nfs/dbraw/zinc/61/34/17/1052613417.db2.gz PLYFZAFZJOHLIO-UHFFFAOYSA-N 1 0 323.440 4.214 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)ccc1C#N ZINC000488148100 1052629351 /nfs/dbraw/zinc/62/93/51/1052629351.db2.gz XFBKPMPOKFUIIW-QGZVFWFLSA-N 1 0 324.449 4.166 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O[C@H](C#N)c1ccccc1 ZINC001223709616 1052629378 /nfs/dbraw/zinc/62/93/78/1052629378.db2.gz NTIMXSMPPITSRQ-JRGCBEDISA-N 1 0 320.436 4.178 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O[C@H](C#N)c1ccccc1 ZINC001223712576 1052629645 /nfs/dbraw/zinc/62/96/45/1052629645.db2.gz GBSKRKMZUGYFGA-UIFIKXQLSA-N 1 0 320.436 4.178 20 30 DIEDRO CC(C)(O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001223951112 1052654734 /nfs/dbraw/zinc/65/47/34/1052654734.db2.gz ASYQRRAZJYIGTF-HXUWFJFHSA-N 1 0 320.436 4.084 20 30 DIEDRO CC(C)(O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001223951097 1052654829 /nfs/dbraw/zinc/65/48/29/1052654829.db2.gz ASYQRRAZJYIGTF-FQEVSTJZSA-N 1 0 320.436 4.084 20 30 DIEDRO C[N@H+](CCc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000126451306 1052670401 /nfs/dbraw/zinc/67/04/01/1052670401.db2.gz OTHICOPVSOCLLS-UHFFFAOYSA-N 1 0 308.425 4.044 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)CC1 ZINC001224120064 1052670468 /nfs/dbraw/zinc/67/04/68/1052670468.db2.gz ZCQGTVAPABRITJ-HBFSDRIKSA-N 1 0 308.469 4.430 20 30 DIEDRO C[NH+](C)CC[C@H](O[C@@H](C#N)c1cccc(F)c1)c1ccccc1 ZINC001224136978 1052671832 /nfs/dbraw/zinc/67/18/32/1052671832.db2.gz PZQKEIKCBGEZMS-OALUTQOASA-N 1 0 312.388 4.100 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCCc2ccccc2)cc1 ZINC000154244463 1052678008 /nfs/dbraw/zinc/67/80/08/1052678008.db2.gz IISUHYILADIAMF-KRWDZBQOSA-N 1 0 308.425 4.042 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000917066678 1052690063 /nfs/dbraw/zinc/69/00/63/1052690063.db2.gz OBNRSFSLBOWAEH-UHFFFAOYSA-N 1 0 324.399 4.131 20 30 DIEDRO C=CCCCCCCO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224360380 1052691240 /nfs/dbraw/zinc/69/12/40/1052691240.db2.gz RLOZRAYATDVZPU-HXUWFJFHSA-N 1 0 312.457 4.286 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C#N)c1 ZINC000917075494 1052691310 /nfs/dbraw/zinc/69/13/10/1052691310.db2.gz XKGGOUATONKEOE-UHFFFAOYSA-N 1 0 307.441 4.035 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OCCCCCCC#N ZINC001224373305 1052691956 /nfs/dbraw/zinc/69/19/56/1052691956.db2.gz PNFLZRDHONCXKL-AZUAARDMSA-N 1 0 314.473 4.388 20 30 DIEDRO N#CCCCCCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224374706 1052692389 /nfs/dbraw/zinc/69/23/89/1052692389.db2.gz ASGITPGMZFLAOK-GOSISDBHSA-N 1 0 320.864 4.405 20 30 DIEDRO N#CCCCCCCO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224375181 1052692441 /nfs/dbraw/zinc/69/24/41/1052692441.db2.gz IFHVYPMMPPZUSO-KRWDZBQOSA-N 1 0 320.864 4.405 20 30 DIEDRO C=CCN(Cc1csc(COc2ccc(F)cc2)n1)C(C)C ZINC000917071169 1052692592 /nfs/dbraw/zinc/69/25/92/1052692592.db2.gz PDOPTEATIPUUQO-UHFFFAOYSA-N 1 0 320.433 4.258 20 30 DIEDRO C=CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C(C)C ZINC000917071835 1052693338 /nfs/dbraw/zinc/69/33/38/1052693338.db2.gz ZICWDWRNOVUCEX-UHFFFAOYSA-N 1 0 308.425 4.335 20 30 DIEDRO CCCCCCCO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224620378 1052710334 /nfs/dbraw/zinc/71/03/34/1052710334.db2.gz XJPSJZGUTCENIS-IBGZPJMESA-N 1 0 300.446 4.120 20 30 DIEDRO C[C@@H](CS)OCC[S+](c1ccccc1)c1ccccc1 ZINC001224638498 1052712075 /nfs/dbraw/zinc/71/20/75/1052712075.db2.gz ASPXPFFRRLRHFG-HNNXBMFYSA-O 1 0 305.488 4.058 20 30 DIEDRO C=CCN(CC(=O)Nc1ccccc1-c1ccccc1)C(C)C ZINC000917166869 1052713949 /nfs/dbraw/zinc/71/39/49/1052713949.db2.gz KPVAMJGCAGAYMW-UHFFFAOYSA-N 1 0 308.425 4.189 20 30 DIEDRO C#C[C@@H](OCCC[NH+](CCCC)CCCC)c1ccncc1 ZINC001224756456 1052722892 /nfs/dbraw/zinc/72/28/92/1052722892.db2.gz XMXCWIRPVDMQSC-LJQANCHMSA-N 1 0 302.462 4.065 20 30 DIEDRO C=CCN(Cn1cc(-c2ccccc2)n(C)c1=S)C(C)C ZINC000917481317 1052730057 /nfs/dbraw/zinc/73/00/57/1052730057.db2.gz GMCSLMWENZSSPV-UHFFFAOYSA-N 1 0 301.459 4.077 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C)c(C)cc1O ZINC000917484977 1052730820 /nfs/dbraw/zinc/73/08/20/1052730820.db2.gz GJLADPZJLCLPEI-UHFFFAOYSA-N 1 0 311.425 4.206 20 30 DIEDRO C=CCCCCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001224918004 1052736325 /nfs/dbraw/zinc/73/63/25/1052736325.db2.gz WEVCTRCXWSLKJK-UHOSZYNNSA-N 1 0 307.478 4.114 20 30 DIEDRO C[NH+](C)CCCCO[C@H]1Cc2ccccc2C#Cc2ccccc21 ZINC001224990840 1052740616 /nfs/dbraw/zinc/74/06/16/1052740616.db2.gz HOHWHLBMNYOSED-QFIPXVFZSA-N 1 0 319.448 4.042 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1C#N ZINC001225197061 1052752612 /nfs/dbraw/zinc/75/26/12/1052752612.db2.gz CYRBYNSUTMBQFE-FQEVSTJZSA-N 1 0 320.436 4.238 20 30 DIEDRO C[C@@H]([C@H](Oc1ccccc1C#N)c1ccccc1)[NH+]1CCCC1 ZINC001225196201 1052752839 /nfs/dbraw/zinc/75/28/39/1052752839.db2.gz JSUGZWJRNHADLA-JXFKEZNVSA-N 1 0 306.409 4.163 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cccc(C#N)c1 ZINC001225223144 1052758557 /nfs/dbraw/zinc/75/85/57/1052758557.db2.gz GVMNECHEIODYNQ-HXUWFJFHSA-N 1 0 320.436 4.238 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC001225334241 1052775230 /nfs/dbraw/zinc/77/52/30/1052775230.db2.gz MZCUFSAJUSMSMR-IBGZPJMESA-N 1 0 306.409 4.088 20 30 DIEDRO CC(C)[NH+]1CCC(Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC001225334277 1052775494 /nfs/dbraw/zinc/77/54/94/1052775494.db2.gz NZUUMZXYSXZMML-UHFFFAOYSA-N 1 0 320.436 4.477 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000556218680 1052823133 /nfs/dbraw/zinc/82/31/33/1052823133.db2.gz ZEXLOTDCRHSAAV-CYBMUJFWSA-N 1 0 318.852 4.174 20 30 DIEDRO CC1CC[NH+]([C@@H](C/N=C\c2ccccc2O)c2ccccc2)CC1 ZINC000918713160 1052825515 /nfs/dbraw/zinc/82/55/15/1052825515.db2.gz VZUROZCDFDALEG-AHFVYKFHSA-N 1 0 322.452 4.284 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000556253313 1052827860 /nfs/dbraw/zinc/82/78/60/1052827860.db2.gz GNVHHMQKHBUBCQ-HUUCEWRRSA-N 1 0 319.518 4.244 20 30 DIEDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000194885835 1052865091 /nfs/dbraw/zinc/86/50/91/1052865091.db2.gz UJCXHHJEIUTRCH-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cccc3cccnc32)C2CC2)cc1 ZINC000194962174 1052877804 /nfs/dbraw/zinc/87/78/04/1052877804.db2.gz YZGXOSHNVWMGIG-UHFFFAOYSA-N 1 0 313.404 4.271 20 30 DIEDRO C=C(Br)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000919647725 1052879001 /nfs/dbraw/zinc/87/90/01/1052879001.db2.gz LBTBFEAPSNWHLS-CYBMUJFWSA-N 1 0 300.627 4.386 20 30 DIEDRO CCCCCCCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000919762324 1052887659 /nfs/dbraw/zinc/88/76/59/1052887659.db2.gz IKJDBOPPCUOYTE-MJGOQNOKSA-N 1 0 316.489 4.299 20 30 DIEDRO Cc1c(C#N)c(OC2CC[NH+](C(C)(C)C)CC2)nc2ccccc12 ZINC001226447437 1052896497 /nfs/dbraw/zinc/89/64/97/1052896497.db2.gz VHDQIPFIPMKCFU-UHFFFAOYSA-N 1 0 323.440 4.057 20 30 DIEDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)ccc1C#N ZINC000556909661 1052896880 /nfs/dbraw/zinc/89/68/80/1052896880.db2.gz KEELCJDBARZMOB-FQEVSTJZSA-N 1 0 318.420 4.294 20 30 DIEDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)ccc1C#N ZINC000556909662 1052897462 /nfs/dbraw/zinc/89/74/62/1052897462.db2.gz KEELCJDBARZMOB-HXUWFJFHSA-N 1 0 318.420 4.294 20 30 DIEDRO Cc1cc(C#N)cc(Cl)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001226595934 1052913863 /nfs/dbraw/zinc/91/38/63/1052913863.db2.gz SEWDEZIVWWKLBA-ZSHCYNCHSA-N 1 0 318.848 4.303 20 30 DIEDRO Cc1ccc(C#N)c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001226756717 1052928245 /nfs/dbraw/zinc/92/82/45/1052928245.db2.gz SDMZKNBFVWKUBR-FXAWDEMLSA-N 1 0 320.436 4.156 20 30 DIEDRO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC001226920690 1052945659 /nfs/dbraw/zinc/94/56/59/1052945659.db2.gz WISVIOGQIABLKJ-FXAWDEMLSA-N 1 0 320.436 4.156 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2cccs2)c(O)c1 ZINC000920943960 1052955900 /nfs/dbraw/zinc/95/59/00/1052955900.db2.gz GHTZNXIEFVSPOH-CYUIRQCWSA-N 1 0 302.443 4.480 20 30 DIEDRO N#CC1(c2ccc(Nc3ncccc3N3CCCCC3)cc2)CC1 ZINC001212251423 1052957252 /nfs/dbraw/zinc/95/72/52/1052957252.db2.gz BKELAARDVZSTFM-UHFFFAOYSA-N 1 0 318.424 4.371 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000921207884 1052964778 /nfs/dbraw/zinc/96/47/78/1052964778.db2.gz LYKSMAFQLFPQFH-GOSISDBHSA-N 1 0 308.510 4.214 20 30 DIEDRO Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212253035 1052965492 /nfs/dbraw/zinc/96/54/92/1052965492.db2.gz ARNWOMUTYVAYOT-UHFFFAOYSA-N 1 0 306.344 4.081 20 30 DIEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000921471534 1052972822 /nfs/dbraw/zinc/97/28/22/1052972822.db2.gz HSOFXSCDBMOMGL-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)CC2)cc1OCCCC#N ZINC000609392990 1052975974 /nfs/dbraw/zinc/97/59/74/1052975974.db2.gz NQTGKOBXLIDJQZ-JCNLHEQBSA-N 1 0 316.445 4.046 20 30 DIEDRO CC(C)(C)c1ccc(O[C@H](CC#N)C[N+](C)(C)C)c(Cl)c1 ZINC001227303877 1052981054 /nfs/dbraw/zinc/98/10/54/1052981054.db2.gz LZXAOQATJXORJX-CQSZACIVSA-N 1 0 309.861 4.005 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccccc1C1CCCCC1 ZINC001227316980 1052981651 /nfs/dbraw/zinc/98/16/51/1052981651.db2.gz MEAFKUHRELYEPN-QGZVFWFLSA-N 1 0 301.454 4.102 20 30 DIEDRO CCC[N@H+](CCCCCn1cc(C)cn1)Cc1ccc(C#N)cc1 ZINC000609536557 1052981901 /nfs/dbraw/zinc/98/19/01/1052981901.db2.gz XEQVHUBXJMRFHR-UHFFFAOYSA-N 1 0 324.472 4.146 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000078396234 1052983905 /nfs/dbraw/zinc/98/39/05/1052983905.db2.gz GRZMZHNPAQPZMT-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609823460 1052994493 /nfs/dbraw/zinc/99/44/93/1052994493.db2.gz HLCVLTQAEIFEJM-HNAYVOBHSA-N 1 0 308.450 4.409 20 30 DIEDRO CCO[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000610002224 1053002226 /nfs/dbraw/zinc/00/22/26/1053002226.db2.gz RGGMOPBYVMHZNT-FQEVSTJZSA-N 1 0 320.436 4.226 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000610001814 1053002511 /nfs/dbraw/zinc/00/25/11/1053002511.db2.gz BQMBZWBCXOQPLB-YJBOKZPZSA-N 1 0 308.400 4.384 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000237600255 1053014093 /nfs/dbraw/zinc/01/40/93/1053014093.db2.gz GDKMJWBERKDYSB-MRXNPFEDSA-N 1 0 316.404 4.420 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(Cl)c1 ZINC000179600468 1053017353 /nfs/dbraw/zinc/01/73/53/1053017353.db2.gz ZIRPZLJZVJWHRY-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000615439996 1053017471 /nfs/dbraw/zinc/01/74/71/1053017471.db2.gz AQZQGQAQMNRYJK-JXFKEZNVSA-N 1 0 306.409 4.083 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2cccc3nc(C#N)ccc32)CC1(C)C ZINC001227797109 1053017583 /nfs/dbraw/zinc/01/75/83/1053017583.db2.gz BRRZXAUTQDKIEK-UHFFFAOYSA-N 1 0 323.440 4.137 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC2CCCCC2)cc1 ZINC000237695159 1053021411 /nfs/dbraw/zinc/02/14/11/1053021411.db2.gz LICBRNYTZWBTTO-INIZCTEOSA-N 1 0 300.446 4.428 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCCCC2)o1 ZINC000237740571 1053023641 /nfs/dbraw/zinc/02/36/41/1053023641.db2.gz QQBUQQHNNSXFHM-UHFFFAOYSA-N 1 0 312.388 4.282 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cnn1C(C)(C)C ZINC000615756723 1053030190 /nfs/dbraw/zinc/03/01/90/1053030190.db2.gz DMZVFKMCQOYLMC-UONOGXRCSA-N 1 0 310.445 4.230 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000237832536 1053031754 /nfs/dbraw/zinc/03/17/54/1053031754.db2.gz SCLYBOXIKWCHCU-UHFFFAOYSA-N 1 0 309.800 4.025 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000237906440 1053039105 /nfs/dbraw/zinc/03/91/05/1053039105.db2.gz HAOREYUWINDJCO-FQEVSTJZSA-N 1 0 309.384 4.079 20 30 DIEDRO CC(C)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001228100022 1053043185 /nfs/dbraw/zinc/04/31/85/1053043185.db2.gz IUUCPOZDGDYQQJ-OAQYLSRUSA-N 1 0 320.436 4.335 20 30 DIEDRO CCOc1ccccc1C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000180039184 1053043813 /nfs/dbraw/zinc/04/38/13/1053043813.db2.gz XSSSVTLFSHNLRL-MRXNPFEDSA-N 1 0 324.424 4.008 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000180560082 1053070627 /nfs/dbraw/zinc/07/06/27/1053070627.db2.gz WOXTZJRRPIRVBI-PMACEKPBSA-N 1 0 324.399 4.154 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000068980124 1053095221 /nfs/dbraw/zinc/09/52/21/1053095221.db2.gz DQTCEYUMBYYDBO-UHFFFAOYSA-N 1 0 306.409 4.148 20 30 DIEDRO C[C@H](C[N+](C)(C)C)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC001228499158 1053119671 /nfs/dbraw/zinc/11/96/71/1053119671.db2.gz SZOUGJFCNOWFGR-OKACTXMXSA-N 1 0 324.444 4.056 20 30 DIEDRO CC[N@@H+]1CCC[C@@H](Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228565759 1053135553 /nfs/dbraw/zinc/13/55/53/1053135553.db2.gz VFACBUXZQZUWDM-LJQANCHMSA-N 1 0 308.425 4.300 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC001560489620 1053146409 /nfs/dbraw/zinc/14/64/09/1053146409.db2.gz UWRUKJUQZZADME-SMDDNHRTSA-N 1 0 312.226 4.423 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181284871 1053179404 /nfs/dbraw/zinc/17/94/04/1053179404.db2.gz LAKGCWLSINJUJN-HUUCEWRRSA-N 1 0 302.418 4.039 20 30 DIEDRO C#C[C@@H]1CCC[C@@H]1Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228829098 1053188019 /nfs/dbraw/zinc/18/80/19/1053188019.db2.gz HOWRQLIBRYJHIZ-VFNWGFHPSA-N 1 0 322.452 4.158 20 30 DIEDRO C#C[C@H]1CCC[C@H]1Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228829102 1053188246 /nfs/dbraw/zinc/18/82/46/1053188246.db2.gz HOWRQLIBRYJHIZ-YCRPNKLZSA-N 1 0 322.452 4.158 20 30 DIEDRO C=CCc1ccccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001228843444 1053190664 /nfs/dbraw/zinc/19/06/64/1053190664.db2.gz DUCPSWZWWMSBBK-UHFFFAOYSA-N 1 0 307.437 4.459 20 30 DIEDRO C=CCc1ccccc1O[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001228847474 1053192488 /nfs/dbraw/zinc/19/24/88/1053192488.db2.gz UMIZVBXIXBDGHU-HKUYNNGSSA-N 1 0 322.452 4.415 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cccc(C#N)c1 ZINC000181398883 1053200874 /nfs/dbraw/zinc/20/08/74/1053200874.db2.gz BPSYAHKWNOOHHK-VQIMIIECSA-N 1 0 323.440 4.029 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000089669355 1053209001 /nfs/dbraw/zinc/20/90/01/1053209001.db2.gz WNJXYRLRMWWEBD-MRXNPFEDSA-N 1 0 315.486 4.472 20 30 DIEDRO CCCCCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181437301 1053209826 /nfs/dbraw/zinc/20/98/26/1053209826.db2.gz IJZKIPNQYHMUSU-IAGOWNOFSA-N 1 0 308.510 4.116 20 30 DIEDRO C=CC1(CC(=O)N(CC[NH+](C)C)c2ccccc2)CCCCC1 ZINC001351808817 1053226852 /nfs/dbraw/zinc/22/68/52/1053226852.db2.gz XGABFWGQJDAQIN-UHFFFAOYSA-N 1 0 314.473 4.108 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)C1CC1 ZINC001319376262 1053239740 /nfs/dbraw/zinc/23/97/40/1053239740.db2.gz URCWMWKCSVEDJU-LJQANCHMSA-N 1 0 302.437 4.129 20 30 DIEDRO Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC001229213109 1053275151 /nfs/dbraw/zinc/27/51/51/1053275151.db2.gz KVWKNKHTMWBTMZ-DYESRHJHSA-N 1 0 320.436 4.156 20 30 DIEDRO CC(C)C1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000763500271 1053285562 /nfs/dbraw/zinc/28/55/62/1053285562.db2.gz BLOCULIOKJBPNJ-ZLPCBKJTSA-N 1 0 300.446 4.282 20 30 DIEDRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000181749215 1053286977 /nfs/dbraw/zinc/28/69/77/1053286977.db2.gz JELGEGVPEIGGPK-DLBZAZTESA-N 1 0 321.468 4.338 20 30 DIEDRO CCC[C@@H](C[NH2+]Cc1cccc(OCC#N)c1)c1ccccc1 ZINC001319955124 1053287964 /nfs/dbraw/zinc/28/79/64/1053287964.db2.gz OVRJZZBVEHZUHP-IBGZPJMESA-N 1 0 308.425 4.262 20 30 DIEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C1 ZINC001229357861 1053305855 /nfs/dbraw/zinc/30/58/55/1053305855.db2.gz YYOFSIZKSTXMGH-DBRLUCFCSA-N 1 0 312.388 4.049 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@H]3C[NH+]4CCC3CC4)cc2)cc1 ZINC001229357855 1053306490 /nfs/dbraw/zinc/30/64/90/1053306490.db2.gz YVZRENMFYBOXAQ-BOURKTIISA-N 1 0 324.399 4.049 20 30 DIEDRO CC[N@@H+]1CC[C@@H](Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229374323 1053308835 /nfs/dbraw/zinc/30/88/35/1053308835.db2.gz JPCSQVQKUPTVHF-GOSISDBHSA-N 1 0 312.388 4.049 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC001320306060 1053322970 /nfs/dbraw/zinc/32/29/70/1053322970.db2.gz LRUJHOGOFCLBKG-IUODEOHRSA-N 1 0 313.413 4.169 20 30 DIEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC001320293919 1053323289 /nfs/dbraw/zinc/32/32/89/1053323289.db2.gz FGKBLHWUOMLZIK-LBPRGKRZSA-N 1 0 307.846 4.359 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000181997748 1053323530 /nfs/dbraw/zinc/32/35/30/1053323530.db2.gz OCKXNXPZQPBYCM-UGSOOPFHSA-N 1 0 314.816 4.250 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC001320301600 1053323676 /nfs/dbraw/zinc/32/36/76/1053323676.db2.gz GBLNUHRXGHGKAX-FUHWJXTLSA-N 1 0 311.425 4.117 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1F ZINC000618578764 1053324705 /nfs/dbraw/zinc/32/47/05/1053324705.db2.gz XATPFDIHWXDRLW-QWHCGFSZSA-N 1 0 308.828 4.429 20 30 DIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000618568168 1053324811 /nfs/dbraw/zinc/32/48/11/1053324811.db2.gz QBDDRVKQQJYICC-MPGHIAIKSA-N 1 0 318.436 4.291 20 30 DIEDRO CCO[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000618578909 1053325111 /nfs/dbraw/zinc/32/51/11/1053325111.db2.gz SSEZAFDXJYHISG-RTWAWAEBSA-N 1 0 320.436 4.303 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+]([C@@H](CC)c2ccc(Br)cc2)C1 ZINC001320320875 1053325899 /nfs/dbraw/zinc/32/58/99/1053325899.db2.gz KHINYDUIYITYKN-HOTGVXAUSA-N 1 0 324.262 4.177 20 30 DIEDRO CC[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(C#N)cc1 ZINC000618571982 1053326713 /nfs/dbraw/zinc/32/67/13/1053326713.db2.gz AGLPIBCRAYMONQ-IRXDYDNUSA-N 1 0 312.800 4.386 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000618575531 1053327648 /nfs/dbraw/zinc/32/76/48/1053327648.db2.gz OREHLOKXSIOCBX-WSMBLCCSSA-N 1 0 306.837 4.088 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](Cc2cc(C)n[nH]2)C(C)(C)C)cc1 ZINC001320474981 1053337964 /nfs/dbraw/zinc/33/79/64/1053337964.db2.gz CFFBYWRDCJXLPM-UHFFFAOYSA-N 1 0 313.445 4.084 20 30 DIEDRO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000182064116 1053338246 /nfs/dbraw/zinc/33/82/46/1053338246.db2.gz GCNFLVNQYHHGSB-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)o1 ZINC001320577297 1053345867 /nfs/dbraw/zinc/34/58/67/1053345867.db2.gz XSWZHIHQAUVWPA-IJNIYJAUSA-N 1 0 308.425 4.123 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)Cc2ccc(C)cc2)c1 ZINC001320576663 1053346631 /nfs/dbraw/zinc/34/66/31/1053346631.db2.gz DNUPDBHQDZSYAT-YLJYHZDGSA-N 1 0 322.452 4.397 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+]Cc2ccc(C#N)s2)cc1 ZINC001320647563 1053352650 /nfs/dbraw/zinc/35/26/50/1053352650.db2.gz BYGYGPVCOMMELF-UHFFFAOYSA-N 1 0 314.454 4.129 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000618742099 1053360619 /nfs/dbraw/zinc/36/06/19/1053360619.db2.gz JPBCUBOAQPWMCU-SFHVURJKSA-N 1 0 323.465 4.449 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc2cccnc12 ZINC000618743196 1053361095 /nfs/dbraw/zinc/36/10/95/1053361095.db2.gz ZVEYRCSLLQJENT-FQEVSTJZSA-N 1 0 313.404 4.192 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000618802385 1053365619 /nfs/dbraw/zinc/36/56/19/1053365619.db2.gz JHQXHYFDDBOZDD-MOPGFXCFSA-N 1 0 308.812 4.476 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(F)c(F)c(F)c1 ZINC000618802321 1053366168 /nfs/dbraw/zinc/36/61/68/1053366168.db2.gz ISDAYAGDWQIBGX-BTDLBPIBSA-N 1 0 316.326 4.314 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001320869525 1053369644 /nfs/dbraw/zinc/36/96/44/1053369644.db2.gz ZDSVJJQJITVJHX-UHFFFAOYSA-N 1 0 312.363 4.338 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000618803167 1053369766 /nfs/dbraw/zinc/36/97/66/1053369766.db2.gz QMLPTQYRYWLUSD-ACJLOTCBSA-N 1 0 321.380 4.113 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000618806242 1053370059 /nfs/dbraw/zinc/37/00/59/1053370059.db2.gz QCYKDNRWIREXIR-NLPFYKDJSA-N 1 0 306.384 4.220 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000618806277 1053370232 /nfs/dbraw/zinc/37/02/32/1053370232.db2.gz QIBZXFIXEPQYAH-UXHICEINSA-N 1 0 306.384 4.352 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 ZINC000618803413 1053370433 /nfs/dbraw/zinc/37/04/33/1053370433.db2.gz IJVWZLNWCYMLEQ-QKKBWIMNSA-N 1 0 302.421 4.385 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804781 1053370747 /nfs/dbraw/zinc/37/07/47/1053370747.db2.gz MJYGTWGCXZGIFP-VLIAUNLRSA-N 1 0 306.409 4.295 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000618807615 1053374055 /nfs/dbraw/zinc/37/40/55/1053374055.db2.gz UYQFWTXZWHUMTD-QFUCXCTJSA-N 1 0 302.421 4.471 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(CC[NH+](C)C)cc2)O1 ZINC001229657051 1053376574 /nfs/dbraw/zinc/37/65/74/1053376574.db2.gz FZKWAABUGGXBPM-ICSRJNTNSA-N 1 0 317.473 4.072 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1C(F)(F)F ZINC000618831263 1053377641 /nfs/dbraw/zinc/37/76/41/1053377641.db2.gz DECDXPOAFUJCPE-QGZVFWFLSA-N 1 0 316.326 4.354 20 30 DIEDRO C=CCCCCCCCNC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC001229662811 1053378739 /nfs/dbraw/zinc/37/87/39/1053378739.db2.gz MXKLGQNDUCVFGH-UHFFFAOYSA-N 1 0 323.525 4.029 20 30 DIEDRO C=C[C@]1(C)CC[C@H](Oc2ccccc2C[NH+](C)C)C(C)(C)O1 ZINC001229702281 1053386776 /nfs/dbraw/zinc/38/67/76/1053386776.db2.gz RTWDGKVKNYQMNE-PKOBYXMFSA-N 1 0 303.446 4.029 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccccc2C[NH+](C)C)O1 ZINC001229700268 1053387353 /nfs/dbraw/zinc/38/73/53/1053387353.db2.gz WXNBTCMWNJHCGZ-MJGOQNOKSA-N 1 0 303.446 4.029 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccccc2C[NH+](C)C)O1 ZINC001229700266 1053387939 /nfs/dbraw/zinc/38/79/39/1053387939.db2.gz WXNBTCMWNJHCGZ-HKUYNNGSSA-N 1 0 303.446 4.029 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](Oc2ccccc2C[NH+](C)C)C(C)(C)O1 ZINC001229702278 1053388525 /nfs/dbraw/zinc/38/85/25/1053388525.db2.gz RTWDGKVKNYQMNE-IEBWSBKVSA-N 1 0 303.446 4.029 20 30 DIEDRO C[C@@H](NC1(C[NH2+]C[C@@H](C)CCC#N)CCCC1)c1ccccc1 ZINC000618888469 1053389462 /nfs/dbraw/zinc/38/94/62/1053389462.db2.gz UIHVBWVWVPGQKD-ZWKOTPCHSA-N 1 0 313.489 4.179 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC001474753895 1053389214 /nfs/dbraw/zinc/38/92/14/1053389214.db2.gz HBMVORPJAGFYMK-OAHLLOKOSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CC[N@@H+](Cc1ccccc1NC(C)=O)CC1CCCCC1 ZINC000093382960 1053397435 /nfs/dbraw/zinc/39/74/35/1053397435.db2.gz CCGPVSWGDAPXLH-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO Cc1ccc([C@H]2CSCC[N@@H+]2CC(C)(C)CCC#N)cc1 ZINC000093458932 1053410112 /nfs/dbraw/zinc/41/01/12/1053410112.db2.gz MNLJYWFFWCXHNF-QGZVFWFLSA-N 1 0 302.487 4.415 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC(F)F)cc1F)c1ccccc1 ZINC001200142352 1053413181 /nfs/dbraw/zinc/41/31/81/1053413181.db2.gz UJGSMJQTQWJELA-UHFFFAOYSA-N 1 0 307.315 4.230 20 30 DIEDRO CC[C@H](C#Cc1ccccc1)Oc1ccc(F)cc1C[NH+](C)C ZINC001229858798 1053419177 /nfs/dbraw/zinc/41/91/77/1053419177.db2.gz RQIZYLMVOLZTIO-LJQANCHMSA-N 1 0 311.400 4.096 20 30 DIEDRO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccc(F)cc2C[NH+](C)C)O1 ZINC001229858198 1053419567 /nfs/dbraw/zinc/41/95/67/1053419567.db2.gz IYPCNDMXASCDSU-IEBWSBKVSA-N 1 0 321.436 4.168 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc(F)cc2C[NH+](C)C)O1 ZINC001229858200 1053420200 /nfs/dbraw/zinc/42/02/00/1053420200.db2.gz IYPCNDMXASCDSU-PKOBYXMFSA-N 1 0 321.436 4.168 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001321624595 1053423814 /nfs/dbraw/zinc/42/38/14/1053423814.db2.gz DUIUWULBMINKQU-PCKAHOCUSA-N 1 0 310.363 4.177 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2ccc(C3(C#N)CC3)cc2)CC1(C)C ZINC001229942634 1053436832 /nfs/dbraw/zinc/43/68/32/1053436832.db2.gz AYUSKSLQRXIUQX-UHFFFAOYSA-N 1 0 312.457 4.272 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000093843080 1053458117 /nfs/dbraw/zinc/45/81/17/1053458117.db2.gz ZXUUWQSORGOVDZ-IBGZPJMESA-N 1 0 314.473 4.040 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccccc1CC#N ZINC001230273012 1053509623 /nfs/dbraw/zinc/50/96/23/1053509623.db2.gz TUIWORXDXZQKHC-DYESRHJHSA-N 1 0 320.436 4.042 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)cc(OC)c1OC ZINC001200267296 1053511608 /nfs/dbraw/zinc/51/16/08/1053511608.db2.gz DWKXLKKYCHCXLP-CRAIPNDOSA-N 1 0 317.473 4.491 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)ccc1C#N ZINC000619652592 1053525385 /nfs/dbraw/zinc/52/53/85/1053525385.db2.gz RYUJHKHXUDONDF-UHFFFAOYSA-N 1 0 324.424 4.034 20 30 DIEDRO C=CCNC(=S)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001200304214 1053539852 /nfs/dbraw/zinc/53/98/52/1053539852.db2.gz TUIISIMIPLPYQK-UHFFFAOYSA-N 1 0 302.468 4.106 20 30 DIEDRO COc1cccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1F ZINC000619725148 1053540113 /nfs/dbraw/zinc/54/01/13/1053540113.db2.gz CBRRQYGWPRKDAC-ZWKOTPCHSA-N 1 0 324.399 4.106 20 30 DIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000619726141 1053544163 /nfs/dbraw/zinc/54/41/63/1053544163.db2.gz ANRDVWXMRZLLIX-UHFFFAOYSA-N 1 0 317.436 4.016 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1 ZINC000619754658 1053546295 /nfs/dbraw/zinc/54/62/95/1053546295.db2.gz GWPPMNQDQVIIFI-GOSISDBHSA-N 1 0 309.800 4.324 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3C)cc1OC ZINC001200314564 1053546334 /nfs/dbraw/zinc/54/63/34/1053546334.db2.gz PCYKUAHUWYVFQM-IBGZPJMESA-N 1 0 323.436 4.346 20 30 DIEDRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755323 1053547298 /nfs/dbraw/zinc/54/72/98/1053547298.db2.gz XDGWIAZIGDZCCM-JTQLQIEISA-N 1 0 306.818 4.133 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1F ZINC000619755203 1053547631 /nfs/dbraw/zinc/54/76/31/1053547631.db2.gz CHQKSUDJWAAFKL-LLVKDONJSA-N 1 0 313.763 4.073 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755161 1053548183 /nfs/dbraw/zinc/54/81/83/1053548183.db2.gz URKKDUBLMUZYHQ-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)COc2cccc(C)c2)c1 ZINC000619766597 1053552229 /nfs/dbraw/zinc/55/22/29/1053552229.db2.gz FCDKVRCHCXZRCE-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO Cc1cc(NCc2ccc(C#N)c(Cl)c2)c2ccccc2[nH+]1 ZINC000619747207 1053554657 /nfs/dbraw/zinc/55/46/57/1053554657.db2.gz LGOZUYFLBKEVBW-UHFFFAOYSA-N 1 0 307.784 4.102 20 30 DIEDRO C[C@@H]1CC(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000619823105 1053565220 /nfs/dbraw/zinc/56/52/20/1053565220.db2.gz ROHCQPAIXKLQCP-STXHMFSFSA-N 1 0 312.457 4.119 20 30 DIEDRO CCc1nc2cc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)ccc2n1C1CC1 ZINC000619823074 1053565284 /nfs/dbraw/zinc/56/52/84/1053565284.db2.gz ICYQWEIKIFVYKQ-GDBMZVCRSA-N 1 0 322.456 4.106 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc(Cl)s2)CC1 ZINC000153039872 1053571187 /nfs/dbraw/zinc/57/11/87/1053571187.db2.gz MLXAKCVWDKZUSA-AWEZNQCLSA-N 1 0 312.910 4.483 20 30 DIEDRO Cc1cc(C#N)ccc1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001230682142 1053580479 /nfs/dbraw/zinc/58/04/79/1053580479.db2.gz HHRMSQKDWOSQQD-INIZCTEOSA-N 1 0 300.427 4.000 20 30 DIEDRO Cc1cc(C#N)ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001230682577 1053580671 /nfs/dbraw/zinc/58/06/71/1053580671.db2.gz OJBXBDPXYSWPPP-DYESRHJHSA-N 1 0 320.436 4.156 20 30 DIEDRO COc1ccccc1C1([NH2+][C@@H](C)c2ccc(C#N)cc2)CCC1 ZINC001323505208 1053586964 /nfs/dbraw/zinc/58/69/64/1053586964.db2.gz LBWDRGIYEGGKET-HNNXBMFYSA-N 1 0 306.409 4.297 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC001324021815 1053617259 /nfs/dbraw/zinc/61/72/59/1053617259.db2.gz MFSIRLIGLYCMIP-WCQYABFASA-N 1 0 319.392 4.193 20 30 DIEDRO C=CCc1cccc(OC2CCN(c3ccc(C)cn3)CC2)c1 ZINC001231010166 1053648955 /nfs/dbraw/zinc/64/89/55/1053648955.db2.gz OTFUHSGZUSEYIY-UHFFFAOYSA-N 1 0 308.425 4.166 20 30 DIEDRO COc1cccc2cc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)oc21 ZINC001324588870 1053665484 /nfs/dbraw/zinc/66/54/84/1053665484.db2.gz PNMFPNKCMHENCG-GOSISDBHSA-N 1 0 318.376 4.090 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC001200451080 1053671695 /nfs/dbraw/zinc/67/16/95/1053671695.db2.gz WWAAVFQAAOQJGR-RLCCDNCMSA-N 1 0 314.256 4.361 20 30 DIEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc2cc3ccccc3cc2c1 ZINC001231096552 1053675648 /nfs/dbraw/zinc/67/56/48/1053675648.db2.gz CFXYYGAJUPVHGL-OAQYLSRUSA-N 1 0 319.428 4.360 20 30 DIEDRO C=CCCc1ccccc1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001325172546 1053704347 /nfs/dbraw/zinc/70/43/47/1053704347.db2.gz OOJWEOMSXULRSV-UHFFFAOYSA-N 1 0 305.381 4.014 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(F)cc1 ZINC001325298616 1053710061 /nfs/dbraw/zinc/71/00/61/1053710061.db2.gz DTAVFFQFECAZNL-KUHUBIRLSA-N 1 0 312.388 4.357 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC001325620043 1053725186 /nfs/dbraw/zinc/72/51/86/1053725186.db2.gz OBWBPCVUCKVOPJ-DOMZBBRYSA-N 1 0 305.418 4.406 20 30 DIEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000154136798 1053727039 /nfs/dbraw/zinc/72/70/39/1053727039.db2.gz INWITPQVMKSWSO-IRXDYDNUSA-N 1 0 316.445 4.046 20 30 DIEDRO C=C(C[NH2+]Cc1cccc(OC)c1OC(C)C)c1ccccc1 ZINC000620757870 1053728225 /nfs/dbraw/zinc/72/82/25/1053728225.db2.gz VERRWAJLOYXPJF-UHFFFAOYSA-N 1 0 311.425 4.285 20 30 DIEDRO CN(C)c1ccc2cc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc2c1 ZINC001231442483 1053756168 /nfs/dbraw/zinc/75/61/68/1053756168.db2.gz OOXCUSPWVGMOGX-FTGVLYPRSA-N 1 0 319.452 4.172 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cnc2c(F)cccc2c1)c1ccncc1 ZINC001200562534 1053765737 /nfs/dbraw/zinc/76/57/37/1053765737.db2.gz OTCPVHYWMUWTKN-GOSISDBHSA-N 1 0 307.372 4.176 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC(=O)C(C)C)c(OC)c1)C(C)(C)C ZINC001231530297 1053781460 /nfs/dbraw/zinc/78/14/60/1053781460.db2.gz LHFCSIYJLVVTBM-UHFFFAOYSA-N 1 0 319.445 4.043 20 30 DIEDRO FC1(F)C[C@@H]2C[N@H+](Cc3ccccc3C#Cc3ccccc3)C[C@@H]21 ZINC001231576765 1053785822 /nfs/dbraw/zinc/78/58/22/1053785822.db2.gz IIXURCQGGINEQQ-UXHICEINSA-N 1 0 323.386 4.173 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc([C@H](C)C(F)(F)F)cc2)C1 ZINC001326501258 1053787360 /nfs/dbraw/zinc/78/73/60/1053787360.db2.gz DOUQLLCRBWHIHB-XJKSGUPXSA-N 1 0 313.363 4.129 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231578672 1053787948 /nfs/dbraw/zinc/78/79/48/1053787948.db2.gz QKVPNACYHLDLKS-UHFFFAOYSA-N 1 0 314.432 4.212 20 30 DIEDRO CC[N@H+](Cc1ccccc1C#Cc1ccccc1)C1CCOCC1 ZINC001231578392 1053788953 /nfs/dbraw/zinc/78/89/53/1053788953.db2.gz MAJAKMKIRWWREU-UHFFFAOYSA-N 1 0 319.448 4.087 20 30 DIEDRO CO[C@@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)[C@H](C)C1 ZINC001231578678 1053789376 /nfs/dbraw/zinc/78/93/76/1053789376.db2.gz QOPAVFFBVAXXFH-XMSQKQJNSA-N 1 0 319.448 4.086 20 30 DIEDRO COc1cc(F)ccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001231607847 1053801764 /nfs/dbraw/zinc/80/17/64/1053801764.db2.gz IJGPBGBWTKSWOF-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c1 ZINC001231623882 1053806180 /nfs/dbraw/zinc/80/61/80/1053806180.db2.gz ZXQASYCKDKBGIZ-FQEVSTJZSA-N 1 0 323.436 4.043 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271505861 1053816353 /nfs/dbraw/zinc/81/63/53/1053816353.db2.gz RLMIGIFZRWUWRD-JKSUJKDBSA-N 1 0 324.424 4.318 20 30 DIEDRO C#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC001231659140 1053822356 /nfs/dbraw/zinc/82/23/56/1053822356.db2.gz HLLHAMLWCBHLRO-LJQANCHMSA-N 1 0 321.420 4.022 20 30 DIEDRO C#Cc1cccc(C[NH+]2CCC(n3ccc4ccccc43)CC2)c1 ZINC001231660831 1053826880 /nfs/dbraw/zinc/82/68/80/1053826880.db2.gz JWLIGHSCBMZQBL-UHFFFAOYSA-N 1 0 314.432 4.460 20 30 DIEDRO C#Cc1cccc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC001231663397 1053827633 /nfs/dbraw/zinc/82/76/33/1053827633.db2.gz RDACZTUCQFTSBR-UHFFFAOYSA-N 1 0 303.327 4.319 20 30 DIEDRO N#CCCN(Cc1cc2cc[nH]c2cn1)C1CCCCCCC1 ZINC001231668357 1053828347 /nfs/dbraw/zinc/82/83/47/1053828347.db2.gz RLTARYWPHJTMDZ-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CC3(CC3(F)F)C2)CC1 ZINC001327607402 1053868156 /nfs/dbraw/zinc/86/81/56/1053868156.db2.gz NUWCPLLIEHXEQG-UHFFFAOYSA-N 1 0 316.395 4.168 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC001231817094 1053874426 /nfs/dbraw/zinc/87/44/26/1053874426.db2.gz APWBTMJIRXXHFX-UHFFFAOYSA-N 1 0 301.478 4.439 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC001231819859 1053874441 /nfs/dbraw/zinc/87/44/41/1053874441.db2.gz IGHWQPFYEXQINZ-ICSRJNTNSA-N 1 0 311.473 4.191 20 30 DIEDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1C ZINC001231821264 1053875247 /nfs/dbraw/zinc/87/52/47/1053875247.db2.gz WZZLSNBRLCCORY-UHFFFAOYSA-N 1 0 321.468 4.285 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@H+](C)C/C=C/c2ccccc2)cc1 ZINC001231820882 1053875614 /nfs/dbraw/zinc/87/56/14/1053875614.db2.gz ZLVWJFIGMUYJMB-UXBLZVDNSA-N 1 0 319.452 4.182 20 30 DIEDRO C=CC[NH+](CC=C)Cc1c[nH]c2c1cccc2Br ZINC001232019659 1053945346 /nfs/dbraw/zinc/94/53/46/1053945346.db2.gz MYJNUWHEJYCOJT-UHFFFAOYSA-N 1 0 305.219 4.104 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)C2CCOCC2)cc1Cl ZINC000081197229 1053988359 /nfs/dbraw/zinc/98/83/59/1053988359.db2.gz PWZKMBPEPCYJEF-KRWDZBQOSA-N 1 0 323.864 4.200 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3CCC4(CCOCC4)CC3)cc2)CC1 ZINC001329548677 1053995377 /nfs/dbraw/zinc/99/53/77/1053995377.db2.gz PFRSKFXXHZNHBT-UHFFFAOYSA-N 1 0 324.468 4.071 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3cccc(Cl)c3F)cc2)CC1 ZINC001329549716 1053995800 /nfs/dbraw/zinc/99/58/00/1053995800.db2.gz YAFLLTMRSVCLPF-UHFFFAOYSA-N 1 0 314.791 4.324 20 30 DIEDRO C[N@H+](Cc1cccn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC001232231441 1053998029 /nfs/dbraw/zinc/99/80/29/1053998029.db2.gz CCSVDWXBMGZULR-UHFFFAOYSA-N 1 0 315.420 4.040 20 30 DIEDRO C=CCc1cc(C[NH2+]CC(CC)(CC)SC)cc(OC)c1O ZINC001200813807 1054000101 /nfs/dbraw/zinc/00/01/01/1054000101.db2.gz YNKFWJWOCRNIKP-UHFFFAOYSA-N 1 0 323.502 4.141 20 30 DIEDRO CSc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)cn1 ZINC001232330437 1054024797 /nfs/dbraw/zinc/02/47/97/1054024797.db2.gz UBRUYAXLTICIBW-UHFFFAOYSA-N 1 0 322.477 4.067 20 30 DIEDRO C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001330353818 1054034906 /nfs/dbraw/zinc/03/49/06/1054034906.db2.gz IGIBOSCKQABAPD-XOBRGWDASA-N 1 0 324.399 4.141 20 30 DIEDRO N#Cc1ccnc(CN2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001232479175 1054052682 /nfs/dbraw/zinc/05/26/82/1054052682.db2.gz NZFUVPCYHHZOFY-CYBMUJFWSA-N 1 0 303.818 4.005 20 30 DIEDRO Cc1cccc(F)c1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001232488087 1054058081 /nfs/dbraw/zinc/05/80/81/1054058081.db2.gz ZDUCOUVGOVOPOY-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(-n2cccn2)cc1Cl ZINC001232597216 1054078842 /nfs/dbraw/zinc/07/88/42/1054078842.db2.gz ZZBDOBBISGAENC-UHFFFAOYSA-N 1 0 303.837 4.314 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CC[C@H](c2ccc(F)cc2)C1 ZINC001232609070 1054079242 /nfs/dbraw/zinc/07/92/42/1054079242.db2.gz IIAHUPKVVRNINX-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO FC(F)(F)CCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001355204867 1054081919 /nfs/dbraw/zinc/08/19/19/1054081919.db2.gz VHAKRCJFGCGFLG-UHFFFAOYSA-N 1 0 317.195 4.146 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]c2cc(Cl)ncc12)Cc1ccccc1 ZINC001232824721 1054127961 /nfs/dbraw/zinc/12/79/61/1054127961.db2.gz YXHFUKRUTXXBGQ-UHFFFAOYSA-N 1 0 311.816 4.405 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)s1 ZINC001232845668 1054129623 /nfs/dbraw/zinc/12/96/23/1054129623.db2.gz IPXCREMXCJSAIZ-HNNXBMFYSA-N 1 0 314.429 4.214 20 30 DIEDRO Cc1ccc(C2CC[NH+](CCCCC3(C#N)CCC3)CC2)cn1 ZINC001332835199 1054130042 /nfs/dbraw/zinc/13/00/42/1054130042.db2.gz HJPFQQPNLWTBOT-UHFFFAOYSA-N 1 0 311.473 4.434 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)s1 ZINC001232844440 1054130770 /nfs/dbraw/zinc/13/07/70/1054130770.db2.gz PJKJJLHAKXKYHN-UHFFFAOYSA-N 1 0 306.434 4.180 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@H](C)C2)ccc1OC ZINC000622266632 1054135535 /nfs/dbraw/zinc/13/55/35/1054135535.db2.gz VMESJQMMVHMKDB-RDJZCZTQSA-N 1 0 303.446 4.318 20 30 DIEDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000848543538 1054140341 /nfs/dbraw/zinc/14/03/41/1054140341.db2.gz GZJZSNFILDTZGX-OXQOHEQNSA-N 1 0 322.452 4.090 20 30 DIEDRO CCC(CC)[N@H+](CC)Cc1ccc(Br)c(C#N)c1 ZINC001232899586 1054143781 /nfs/dbraw/zinc/14/37/81/1054143781.db2.gz RWHLWFUVPZAHNQ-UHFFFAOYSA-N 1 0 309.251 4.331 20 30 DIEDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000848554168 1054146043 /nfs/dbraw/zinc/14/60/43/1054146043.db2.gz QSJQXXZOKJVTKK-OXJNMPFZSA-N 1 0 322.452 4.008 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC(n3cc(Cl)cn3)CC2)CCC1 ZINC001333196675 1054146676 /nfs/dbraw/zinc/14/66/76/1054146676.db2.gz WEYUDLWTZPPQMP-UHFFFAOYSA-N 1 0 320.868 4.038 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cc1 ZINC000848557719 1054149461 /nfs/dbraw/zinc/14/94/61/1054149461.db2.gz LESODXPQFVMZTL-IAGOWNOFSA-N 1 0 308.828 4.282 20 30 DIEDRO COCc1ccc([C@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)o1 ZINC001333357349 1054151691 /nfs/dbraw/zinc/15/16/91/1054151691.db2.gz USDFMCBGBAHVRX-QGZVFWFLSA-N 1 0 316.445 4.427 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccnc(Cl)c1 ZINC000848567210 1054153566 /nfs/dbraw/zinc/15/35/66/1054153566.db2.gz QWUUINCCEAAANE-CYBMUJFWSA-N 1 0 311.816 4.337 20 30 DIEDRO COc1c(C)cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1C ZINC000848569401 1054154636 /nfs/dbraw/zinc/15/46/36/1054154636.db2.gz ZRTKKHRLLGQCMP-UHFFFAOYSA-N 1 0 320.436 4.353 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c(C#N)c1 ZINC001232966923 1054162407 /nfs/dbraw/zinc/16/24/07/1054162407.db2.gz ZEEOYUUGKVEVSC-UHFFFAOYSA-N 1 0 315.420 4.118 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC001233080320 1054182907 /nfs/dbraw/zinc/18/29/07/1054182907.db2.gz IFGAKZCRWRJAIK-QGZVFWFLSA-N 1 0 322.452 4.328 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001233081110 1054183258 /nfs/dbraw/zinc/18/32/58/1054183258.db2.gz OPTFRELIRMGMBK-HXUWFJFHSA-N 1 0 304.437 4.321 20 30 DIEDRO N#CCC[N@H+](Cc1cccc2c1CCO2)C1CCCCCCC1 ZINC001233276509 1054219339 /nfs/dbraw/zinc/21/93/39/1054219339.db2.gz OLVBYJVUVRJJFJ-UHFFFAOYSA-N 1 0 312.457 4.450 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]CCCCC2(C#N)CCC2)cc1[N+](=O)[O-] ZINC001335613928 1054222019 /nfs/dbraw/zinc/22/20/19/1054222019.db2.gz RJZVUKNYZZWOQB-HNNXBMFYSA-N 1 0 315.417 4.418 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cc(C(=O)OCC)ccn1 ZINC001233326042 1054231691 /nfs/dbraw/zinc/23/16/91/1054231691.db2.gz MWDLBEFBLCSZID-UHFFFAOYSA-N 1 0 306.450 4.051 20 30 DIEDRO C#CCC(C)(C)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000184867368 1054236394 /nfs/dbraw/zinc/23/63/94/1054236394.db2.gz ZLLSXCNVTBBESU-UHFFFAOYSA-N 1 0 323.440 4.023 20 30 DIEDRO C=CCCN(Cc1ccccc1)Cc1c(F)ccc(O)c1F ZINC001233395633 1054260002 /nfs/dbraw/zinc/26/00/02/1054260002.db2.gz GWIJORXXRQQCNW-UHFFFAOYSA-N 1 0 303.352 4.249 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC001356063524 1054272029 /nfs/dbraw/zinc/27/20/29/1054272029.db2.gz UZBCVOZIPIGWSF-PHSGOXPASA-N 1 0 312.482 4.342 20 30 DIEDRO Cc1cccnc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC001337566163 1054273137 /nfs/dbraw/zinc/27/31/37/1054273137.db2.gz GAPAZBKAIMENHM-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc2nc(Cl)ccc2c1 ZINC001233445591 1054275753 /nfs/dbraw/zinc/27/57/53/1054275753.db2.gz LTWUZFVYJSJBOR-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO N#Cc1ccc(-c2cccc(OC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC001233513444 1054285691 /nfs/dbraw/zinc/28/56/91/1054285691.db2.gz WRZBHSWYZMWMCV-UHFFFAOYSA-N 1 0 318.420 4.231 20 30 DIEDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000848925900 1054301778 /nfs/dbraw/zinc/30/17/78/1054301778.db2.gz NDYOODHJUIVFEW-UHFFFAOYSA-N 1 0 319.452 4.102 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001338624184 1054309242 /nfs/dbraw/zinc/30/92/42/1054309242.db2.gz VXFOXYKYWYNIFY-UYAOXDASSA-N 1 0 320.436 4.090 20 30 DIEDRO C[C@H](C[NH2+]Cc1cccc(OCC#N)c1)c1cccc(Cl)c1 ZINC001338649024 1054311829 /nfs/dbraw/zinc/31/18/29/1054311829.db2.gz IQHPYTZUZALVKW-CQSZACIVSA-N 1 0 314.816 4.136 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000849025416 1054345155 /nfs/dbraw/zinc/34/51/55/1054345155.db2.gz AENIVPQYZUTESO-ZVZYQTTQSA-N 1 0 315.461 4.118 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC(C)(C)CCC#N)cc1 ZINC000849029012 1054346023 /nfs/dbraw/zinc/34/60/23/1054346023.db2.gz VFSODWSKULTOHJ-CQSZACIVSA-N 1 0 300.450 4.466 20 30 DIEDRO CC[NH+](CC)CC[C@H](Nc1cccc(CC#N)n1)c1ccccc1 ZINC001340014407 1054354650 /nfs/dbraw/zinc/35/46/50/1054354650.db2.gz BAHBKTNPPBBRDZ-IBGZPJMESA-N 1 0 322.456 4.033 20 30 DIEDRO C[C@@H](c1ccccc1)c1ccccc1O[C@H](CC#N)C[N+](C)(C)C ZINC001233780806 1054357285 /nfs/dbraw/zinc/35/72/85/1054357285.db2.gz AGYWVGWINXOHSY-PKOBYXMFSA-N 1 0 323.460 4.206 20 30 DIEDRO C=CCOc1ccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)cc1 ZINC000849050765 1054360708 /nfs/dbraw/zinc/36/07/08/1054360708.db2.gz HIDXAYPZBKTRJA-UHFFFAOYSA-N 1 0 309.413 4.005 20 30 DIEDRO N#CC1(CCCC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CCC1 ZINC001340729150 1054365518 /nfs/dbraw/zinc/36/55/18/1054365518.db2.gz FVMZDGSJKDEPJY-MOPGFXCFSA-N 1 0 312.457 4.218 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001340779500 1054368128 /nfs/dbraw/zinc/36/81/28/1054368128.db2.gz SGUPSOSJMYLCIQ-PBHICJAKSA-N 1 0 318.420 4.400 20 30 DIEDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001340779502 1054368410 /nfs/dbraw/zinc/36/84/10/1054368410.db2.gz SGUPSOSJMYLCIQ-WMLDXEAASA-N 1 0 318.420 4.400 20 30 DIEDRO CC[N@@H+]1CCC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233861583 1054375844 /nfs/dbraw/zinc/37/58/44/1054375844.db2.gz UTMVFTKIQZXUGU-FQEVSTJZSA-N 1 0 306.409 4.088 20 30 DIEDRO c1ccc(NC(=[NH+]C[C@@H]2CCCSC2)N2CCCCC2)cc1 ZINC000849077808 1054376633 /nfs/dbraw/zinc/37/66/33/1054376633.db2.gz PLDWLAYCZGHWFG-INIZCTEOSA-N 1 0 317.502 4.084 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1cccc(Oc2ccccc2)c1)C(C)C ZINC000849077280 1054377120 /nfs/dbraw/zinc/37/71/20/1054377120.db2.gz ZMTCVSDWOUMOES-SFHVURJKSA-N 1 0 307.397 4.073 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1cc(C)cc(C)c1)c1ccc(Cl)cc1 ZINC000849084454 1054377859 /nfs/dbraw/zinc/37/78/59/1054377859.db2.gz RMJNXFQQHKYGGK-KRWDZBQOSA-N 1 0 311.816 4.268 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1cccc(CC)c1)c1ccc(Cl)cc1 ZINC000849085158 1054379065 /nfs/dbraw/zinc/37/90/65/1054379065.db2.gz ZPRZKTPJIUFORT-KRWDZBQOSA-N 1 0 311.816 4.213 20 30 DIEDRO C=CC1CC[NH+](Cc2csc(-c3ccccc3OC)n2)CC1 ZINC000171953000 1054399090 /nfs/dbraw/zinc/39/90/90/1054399090.db2.gz WSCOOJCSBBUYQF-UHFFFAOYSA-N 1 0 314.454 4.217 20 30 DIEDRO CCCCCCCC[C@H]([NH3+])C(=O)Nc1c(C)noc1C(C)C ZINC001341764988 1054409258 /nfs/dbraw/zinc/40/92/58/1054409258.db2.gz KPSUZSXGNUXENU-AWEZNQCLSA-N 1 0 309.454 4.123 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001442558894 1054425668 /nfs/dbraw/zinc/42/56/68/1054425668.db2.gz LXCNABLQBDXIPQ-CPPNXCSESA-N 1 0 320.521 4.380 20 30 DIEDRO CC(C)(C)C#CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001442623508 1054427705 /nfs/dbraw/zinc/42/77/05/1054427705.db2.gz JKZZNNBBYAPCMK-UHFFFAOYSA-N 1 0 312.457 4.051 20 30 DIEDRO COc1ccccc1C1([NH2+]Cc2ccc(C#N)cc2C)CCC1 ZINC001343009672 1054435006 /nfs/dbraw/zinc/43/50/06/1054435006.db2.gz CPSULLHGAGFCRN-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO CCCCCCCCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001357200971 1054437768 /nfs/dbraw/zinc/43/77/68/1054437768.db2.gz QSLMLLSZROJBIQ-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000185180482 1054439078 /nfs/dbraw/zinc/43/90/78/1054439078.db2.gz ZGIYGWAZYVDJCF-OAHLLOKOSA-N 1 0 307.865 4.333 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC001343260358 1054439881 /nfs/dbraw/zinc/43/98/81/1054439881.db2.gz QKUBJYBEZIHQKV-RTBURBONSA-N 1 0 306.409 4.015 20 30 DIEDRO FCCCCC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000671240236 1054455933 /nfs/dbraw/zinc/45/59/33/1054455933.db2.gz UKFTYZBJWZMOHC-NXEZZACHSA-N 1 0 309.269 4.189 20 30 DIEDRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)c2sccc21 ZINC001344430655 1054468913 /nfs/dbraw/zinc/46/89/13/1054468913.db2.gz YFSVYOAYSQFWRU-SUMWQHHRSA-N 1 0 312.438 4.379 20 30 DIEDRO C=C[C@@H](Oc1c(F)cc(C[NH+](C)C)cc1OC)c1ccccc1 ZINC001234240108 1054469007 /nfs/dbraw/zinc/46/90/07/1054469007.db2.gz BXDJWHPVIPRDSZ-QGZVFWFLSA-N 1 0 315.388 4.202 20 30 DIEDRO Cc1ccccc1N(C)c1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC001234249556 1054474160 /nfs/dbraw/zinc/47/41/60/1054474160.db2.gz ASNKLZCKFKTLMH-UHFFFAOYSA-N 1 0 305.425 4.108 20 30 DIEDRO Cc1cc(O[C@H](CC#N)C[N+](C)(C)C)cc(C)c1-c1ccccc1 ZINC001234294107 1054488188 /nfs/dbraw/zinc/48/81/88/1054488188.db2.gz XLBOOEUOJHEBTJ-LJQANCHMSA-N 1 0 323.460 4.338 20 30 DIEDRO CN(c1ccc(F)cc1)c1ccc(CN2CC[C@](C)(C#N)C2)cc1 ZINC001234299264 1054490216 /nfs/dbraw/zinc/49/02/16/1054490216.db2.gz QHRLOIGYJLOMBA-HXUWFJFHSA-N 1 0 323.415 4.329 20 30 DIEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]CC(C)(C)CCC#N ZINC000174293149 1054505483 /nfs/dbraw/zinc/50/54/83/1054505483.db2.gz QYBVKSXIDBDVDH-UHFFFAOYSA-N 1 0 324.472 4.033 20 30 DIEDRO CCCCCCCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001446245665 1054531675 /nfs/dbraw/zinc/53/16/75/1054531675.db2.gz UFKZNXJCLFAGQM-UHFFFAOYSA-N 1 0 316.489 4.373 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2cnc3ccccc3c2C#N)CC1(C)C ZINC001234854649 1054603173 /nfs/dbraw/zinc/60/31/73/1054603173.db2.gz LAOCSASGGWQVSL-UHFFFAOYSA-N 1 0 323.440 4.137 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C)c(C)c2)c1 ZINC000073012342 1054614180 /nfs/dbraw/zinc/61/41/80/1054614180.db2.gz CSMMGFOPKVCMRX-LJQANCHMSA-N 1 0 308.425 4.274 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(C)c2C)c1 ZINC000073012120 1054614606 /nfs/dbraw/zinc/61/46/06/1054614606.db2.gz TUKYCWVPOBHKCG-LJQANCHMSA-N 1 0 308.425 4.274 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001358229844 1054631203 /nfs/dbraw/zinc/63/12/03/1054631203.db2.gz UITUFEMITXWHDM-HNNXBMFYSA-N 1 0 315.461 4.369 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234996885 1054638257 /nfs/dbraw/zinc/63/82/57/1054638257.db2.gz ORISRNQTQCUZTI-MRXNPFEDSA-N 1 0 306.409 4.185 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001450234393 1054641807 /nfs/dbraw/zinc/64/18/07/1054641807.db2.gz FNVJEAFGQYQOEJ-AZUAARDMSA-N 1 0 322.537 4.317 20 30 DIEDRO CCCCCCCN1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235068888 1054650876 /nfs/dbraw/zinc/65/08/76/1054650876.db2.gz IQTKSQBPCGJVNZ-CQSZACIVSA-N 1 0 306.416 4.106 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)C1CC1 ZINC000178673385 1054657556 /nfs/dbraw/zinc/65/75/56/1054657556.db2.gz XPMNBKXJOAMZSB-GOSISDBHSA-N 1 0 300.446 4.116 20 30 DIEDRO CCCCCCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001473429975 1054717001 /nfs/dbraw/zinc/71/70/01/1054717001.db2.gz OHDNOYGKVDAINE-UHFFFAOYSA-N 1 0 319.880 4.304 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)CCCC1(C)C ZINC001473433055 1054719928 /nfs/dbraw/zinc/71/99/28/1054719928.db2.gz QUSGVMMBJQIWCI-QZTJIDSGSA-N 1 0 321.892 4.310 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001235525201 1054735867 /nfs/dbraw/zinc/73/58/67/1054735867.db2.gz KPNYHIZXXNKLAP-IBGZPJMESA-N 1 0 312.363 4.368 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001235526335 1054738164 /nfs/dbraw/zinc/73/81/64/1054738164.db2.gz XWYCVKKODHATMT-UHFFFAOYSA-N 1 0 314.432 4.016 20 30 DIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccc1CC#N ZINC001235522149 1054738813 /nfs/dbraw/zinc/73/88/13/1054738813.db2.gz AGGGGEZPQCKZAZ-UHFFFAOYSA-N 1 0 318.342 4.403 20 30 DIEDRO C#CC[N@@H+](CC[C@@H](O)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001473826946 1054759084 /nfs/dbraw/zinc/75/90/84/1054759084.db2.gz XSAYFZGHAPXVCU-FCHUYYIVSA-N 1 0 319.448 4.123 20 30 DIEDRO N#CCC[N@H+](Cc1ccc2c(c1)NCC2)C1CCCCCCC1 ZINC001235663388 1054765174 /nfs/dbraw/zinc/76/51/74/1054765174.db2.gz IIVLARKVKVEZMF-UHFFFAOYSA-N 1 0 311.473 4.483 20 30 DIEDRO N#CCSCCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180580480 1054769457 /nfs/dbraw/zinc/76/94/57/1054769457.db2.gz OBSOAVHMKUJPPP-CYBMUJFWSA-N 1 0 320.355 4.056 20 30 DIEDRO CC(C)(C)c1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(O)c1 ZINC001235676861 1054772097 /nfs/dbraw/zinc/77/20/97/1054772097.db2.gz WUTBIUUDVRWNIQ-UHFFFAOYSA-N 1 0 320.436 4.120 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001474122174 1054784210 /nfs/dbraw/zinc/78/42/10/1054784210.db2.gz YNAXRYCNILNNEA-UHFFFAOYSA-N 1 0 304.434 4.480 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2C(C)(C)C2(C)C)cc1OC ZINC001474122782 1054787240 /nfs/dbraw/zinc/78/72/40/1054787240.db2.gz LOGVBZODNZLTCY-UHFFFAOYSA-N 1 0 303.446 4.032 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc2cc(Br)cnc2c1 ZINC001235738432 1054796309 /nfs/dbraw/zinc/79/63/09/1054796309.db2.gz LUQCJXZNVCZSSN-UHFFFAOYSA-N 1 0 317.230 4.171 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001235847282 1054823087 /nfs/dbraw/zinc/82/30/87/1054823087.db2.gz OHLQQLOQRADZRP-UHFFFAOYSA-N 1 0 318.461 4.109 20 30 DIEDRO C=CCNCC[N@@H+]1CCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001235866250 1054826211 /nfs/dbraw/zinc/82/62/11/1054826211.db2.gz IJWCOATYUYMRQP-OAQYLSRUSA-N 1 0 320.480 4.059 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](Cc1ccccc1)OC ZINC001474575941 1054826910 /nfs/dbraw/zinc/82/69/10/1054826910.db2.gz GYVQUHKTCWPGRU-SFTDATJTSA-N 1 0 309.453 4.021 20 30 DIEDRO N#Cc1cc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)ccc1F ZINC001235895993 1054834442 /nfs/dbraw/zinc/83/44/42/1054834442.db2.gz WTCIKBSVDDFVBU-WOJBJXKFSA-N 1 0 324.399 4.151 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(F)c(C#N)c2)cc1F ZINC001235897942 1054836355 /nfs/dbraw/zinc/83/63/55/1054836355.db2.gz WTXCRCIHOZYSOG-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO CC(C)(CC#N)CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000849115999 1054841834 /nfs/dbraw/zinc/84/18/34/1054841834.db2.gz HDWDWJMADVZOHL-UHFFFAOYSA-N 1 0 322.412 4.355 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000624037788 1054861179 /nfs/dbraw/zinc/86/11/79/1054861179.db2.gz ITLUUEUQVXJFFX-ZDUSSCGKSA-N 1 0 300.446 4.169 20 30 DIEDRO Cc1cnc(-c2cccc(C[NH+]3CCCCC3)c2F)cc1C#N ZINC001236006073 1054891549 /nfs/dbraw/zinc/89/15/49/1054891549.db2.gz QOKRIQUYKNKEJY-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO Cc1ccc(-c2cccc(C[NH+]3CCCCC3)c2F)nc1C#N ZINC001236006086 1054892045 /nfs/dbraw/zinc/89/20/45/1054892045.db2.gz XRRAONHJXXGTFV-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc2c(c1)OCO2 ZINC000182300682 1054978646 /nfs/dbraw/zinc/97/86/46/1054978646.db2.gz GSLCDBNGQRTVGC-AWEZNQCLSA-N 1 0 322.408 4.067 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1c(C)noc1C ZINC000182512830 1054993170 /nfs/dbraw/zinc/99/31/70/1054993170.db2.gz SSPBLNDIMIRINM-KRWDZBQOSA-N 1 0 311.429 4.334 20 30 DIEDRO Cc1c(C#N)ccnc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236234240 1055024449 /nfs/dbraw/zinc/02/44/49/1055024449.db2.gz YXNIOWGJOXEFBN-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc3c(C#N)c[nH]c3n2)c1 ZINC001236316372 1055053705 /nfs/dbraw/zinc/05/37/05/1055053705.db2.gz CUDFZPWFHXVZOB-UHFFFAOYSA-N 1 0 322.387 4.082 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2nc(C)ccc2CC#N)c1 ZINC001236318321 1055055440 /nfs/dbraw/zinc/05/54/40/1055055440.db2.gz QNRNHDRZQSWIPI-UHFFFAOYSA-N 1 0 311.404 4.104 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000183743829 1055055696 /nfs/dbraw/zinc/05/56/96/1055055696.db2.gz GVXVEOZBKWSOHI-XJKSGUPXSA-N 1 0 316.470 4.096 20 30 DIEDRO N#CCc1ccc(C(F)(F)F)cc1-c1cccc2c1CC[NH2+]C2 ZINC001236355091 1055071243 /nfs/dbraw/zinc/07/12/43/1055071243.db2.gz SWDNFIYBGISUFG-UHFFFAOYSA-N 1 0 316.326 4.084 20 30 DIEDRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)C#N)cc1 ZINC000185574634 1055094114 /nfs/dbraw/zinc/09/41/14/1055094114.db2.gz VEPNCZZEBXKNDG-IAGOWNOFSA-N 1 0 300.446 4.102 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2nc(C(C)C)ccc2C#N)cc1 ZINC001236425976 1055109023 /nfs/dbraw/zinc/10/90/23/1055109023.db2.gz UPCUWTSPPPRNLZ-UHFFFAOYSA-N 1 0 307.441 4.489 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1Cl ZINC000112544686 1055112804 /nfs/dbraw/zinc/11/28/04/1055112804.db2.gz ULPPIRPHMFBYAI-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(CC#N)c(C#N)c2)cc1 ZINC001236437298 1055113463 /nfs/dbraw/zinc/11/34/63/1055113463.db2.gz PFDWFAQLSLBXQU-UHFFFAOYSA-N 1 0 303.409 4.037 20 30 DIEDRO Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C#N)n1 ZINC001236474946 1055133529 /nfs/dbraw/zinc/13/35/29/1055133529.db2.gz NNUPEPGISJWKEK-MOPGFXCFSA-N 1 0 315.420 4.082 20 30 DIEDRO C=CCCCCCCCN(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236478381 1055137494 /nfs/dbraw/zinc/13/74/94/1055137494.db2.gz GPSAYRNOPMTCOF-FQEVSTJZSA-N 1 0 315.505 4.162 20 30 DIEDRO C=CCCC[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001536600539 1055138455 /nfs/dbraw/zinc/13/84/55/1055138455.db2.gz ZYOAEHYRQOVDRV-RBUKOAKNSA-N 1 0 314.473 4.073 20 30 DIEDRO C=CCCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001536600538 1055138815 /nfs/dbraw/zinc/13/88/15/1055138815.db2.gz ZYOAEHYRQOVDRV-OALUTQOASA-N 1 0 314.473 4.073 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cc(C#N)ccc2OC)c1 ZINC001236544658 1055172729 /nfs/dbraw/zinc/17/27/29/1055172729.db2.gz CEOLDJJVYNMBCQ-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CC[NH+]1CCC(c2ccc(-c3cc(C#N)ccc3OC)cc2)CC1 ZINC001236545849 1055174948 /nfs/dbraw/zinc/17/49/48/1055174948.db2.gz SPMCDWCMWNUXRO-UHFFFAOYSA-N 1 0 320.436 4.433 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000764487373 1055199158 /nfs/dbraw/zinc/19/91/58/1055199158.db2.gz CGHBZLNOZVYNIC-INIZCTEOSA-N 1 0 318.420 4.073 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000764487377 1055199407 /nfs/dbraw/zinc/19/94/07/1055199407.db2.gz CGHBZLNOZVYNIC-MRXNPFEDSA-N 1 0 318.420 4.073 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)c(O)c1)C1CCCCC1 ZINC001236695665 1055234594 /nfs/dbraw/zinc/23/45/94/1055234594.db2.gz NGPGNZYSSHDGLZ-UHFFFAOYSA-N 1 0 324.262 4.475 20 30 DIEDRO C=CCCCCN1CC[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236798413 1055266744 /nfs/dbraw/zinc/26/67/44/1055266744.db2.gz LIGDAGUPLGSGIG-MRXNPFEDSA-N 1 0 312.379 4.008 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1ccnc(Cl)c1)C(C)C ZINC000764874511 1055280932 /nfs/dbraw/zinc/28/09/32/1055280932.db2.gz HRIAQGUQEKITSB-DOTOQJQBSA-N 1 0 321.896 4.084 20 30 DIEDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236863996 1055295562 /nfs/dbraw/zinc/29/55/62/1055295562.db2.gz QAWJQWSUYQVXOD-LBPRGKRZSA-N 1 0 307.235 4.085 20 30 DIEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236862799 1055296747 /nfs/dbraw/zinc/29/67/47/1055296747.db2.gz YUMOFVVGKFREML-AWEZNQCLSA-N 1 0 307.235 4.085 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)cn1 ZINC000764976137 1055303763 /nfs/dbraw/zinc/30/37/63/1055303763.db2.gz TYGYRLUYFBJPKP-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO C=CC[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)C(C)(C)C ZINC001236906090 1055311685 /nfs/dbraw/zinc/31/16/85/1055311685.db2.gz YQVUGLKQNBMGCP-UHFFFAOYSA-N 1 0 303.837 4.312 20 30 DIEDRO C=CC[NH2+]CCN1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001236977662 1055320407 /nfs/dbraw/zinc/32/04/07/1055320407.db2.gz YZXJFMFPYUIUCX-MRXNPFEDSA-N 1 0 312.379 4.008 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)nc2)CC1 ZINC001237005069 1055336070 /nfs/dbraw/zinc/33/60/70/1055336070.db2.gz HALCYXKWHWPRIM-UHFFFAOYSA-N 1 0 311.816 4.138 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccccc3Cl)nc2)CC1 ZINC001237014226 1055337230 /nfs/dbraw/zinc/33/72/30/1055337230.db2.gz XYMCOZCPZZYORC-UHFFFAOYSA-N 1 0 311.816 4.138 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1 ZINC001237039339 1055346080 /nfs/dbraw/zinc/34/60/80/1055346080.db2.gz RFQURWZFORCTBV-UHFFFAOYSA-N 1 0 320.408 4.347 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000765284501 1055356757 /nfs/dbraw/zinc/35/67/57/1055356757.db2.gz CRBBYPWAFXYJEA-OAHLLOKOSA-N 1 0 305.377 4.296 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000765354175 1055367968 /nfs/dbraw/zinc/36/79/68/1055367968.db2.gz LSMYTFCVHKLXJV-GOEBONIOSA-N 1 0 302.418 4.039 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000765354176 1055369258 /nfs/dbraw/zinc/36/92/58/1055369258.db2.gz LSMYTFCVHKLXJV-HOCLYGCPSA-N 1 0 302.418 4.039 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C)ccc32)cc1 ZINC000765427417 1055388453 /nfs/dbraw/zinc/38/84/53/1055388453.db2.gz OJVPWYKBUAJHSA-IERDGZPVSA-N 1 0 305.421 4.345 20 30 DIEDRO C#Cc1cccc(C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)c1 ZINC001237250093 1055410152 /nfs/dbraw/zinc/41/01/52/1055410152.db2.gz RZSJALKFONETNX-AZUAARDMSA-N 1 0 322.839 4.105 20 30 DIEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1C(F)F ZINC001237275175 1055413315 /nfs/dbraw/zinc/41/33/15/1055413315.db2.gz WVSAHHMQVGZGIQ-UHFFFAOYSA-N 1 0 316.351 4.136 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2-c2ccccc2)C1 ZINC001237311721 1055423368 /nfs/dbraw/zinc/42/33/68/1055423368.db2.gz RUOSEKAUDRKADP-QGZVFWFLSA-N 1 0 305.421 4.207 20 30 DIEDRO C#CC1CC[NH+](Cc2cc(OC)ccc2-c2ccccc2)CC1 ZINC001237311010 1055424589 /nfs/dbraw/zinc/42/45/89/1055424589.db2.gz OJKOPFUALWAVJV-UHFFFAOYSA-N 1 0 305.421 4.207 20 30 DIEDRO C=CC[N@@H+](C)Cc1cc(Cl)ccc1NC(=O)OC(C)(C)C ZINC001237371349 1055441409 /nfs/dbraw/zinc/44/14/09/1055441409.db2.gz VPPABIGHSLIBME-UHFFFAOYSA-N 1 0 310.825 4.305 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@@H](c4ccccc4)C3)c[nH]c2c1 ZINC001142911966 1055445589 /nfs/dbraw/zinc/44/55/89/1055445589.db2.gz PXRXTMYYVAUXTE-QGZVFWFLSA-N 1 0 301.393 4.029 20 30 DIEDRO CCCCCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001537815771 1055448045 /nfs/dbraw/zinc/44/80/45/1055448045.db2.gz XVHMBXPJJVUFNY-LPHOPBHVSA-N 1 0 304.478 4.155 20 30 DIEDRO CCCCCCCC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001537815773 1055448176 /nfs/dbraw/zinc/44/81/76/1055448176.db2.gz XVHMBXPJJVUFNY-VQIMIIECSA-N 1 0 304.478 4.155 20 30 DIEDRO N#CCCN(Cc1ccccc1)Cc1ccc(F)c2cccnc12 ZINC001237422809 1055451193 /nfs/dbraw/zinc/45/11/93/1055451193.db2.gz KIZXGUGCVWXTEH-UHFFFAOYSA-N 1 0 319.383 4.290 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc2ncnc(Cl)c2c1 ZINC001237580920 1055477650 /nfs/dbraw/zinc/47/76/50/1055477650.db2.gz ZLXRNNHAFABTJU-UHFFFAOYSA-N 1 0 323.827 4.471 20 30 DIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000921539030 1055486681 /nfs/dbraw/zinc/48/66/81/1055486681.db2.gz NADNWGXCILQAGZ-JTQLQIEISA-N 1 0 308.353 4.072 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CC)ccc1OC ZINC001620860671 1055488520 /nfs/dbraw/zinc/48/85/20/1055488520.db2.gz RSRYQCSMUKCDDF-DLBZAZTESA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc2nccnc2c1)c1ccccc1 ZINC001620868454 1055495586 /nfs/dbraw/zinc/49/55/86/1055495586.db2.gz CVYYBQKAKKAFHK-SFHVURJKSA-N 1 0 303.409 4.427 20 30 DIEDRO CCCCOc1cccc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000921545711 1055498613 /nfs/dbraw/zinc/49/86/13/1055498613.db2.gz YWUODRWDYZODPP-UHFFFAOYSA-N 1 0 300.427 4.088 20 30 DIEDRO COc1ccc(C)c(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001237713662 1055512876 /nfs/dbraw/zinc/51/28/76/1055512876.db2.gz NKXZGPWAGXTILN-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO N#Cc1cc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)cs1 ZINC001620892241 1055517294 /nfs/dbraw/zinc/51/72/94/1055517294.db2.gz ZUKXUZDFSRQUFD-UHFFFAOYSA-N 1 0 320.820 4.234 20 30 DIEDRO C=CCc1cc(C[NH2+]CC(C(C)C)C(C)C)cc(OC)c1O ZINC001620906862 1055531523 /nfs/dbraw/zinc/53/15/23/1055531523.db2.gz RTUPAAVLOLUQRN-UHFFFAOYSA-N 1 0 305.462 4.147 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC001620916551 1055539017 /nfs/dbraw/zinc/53/90/17/1055539017.db2.gz WBVFRTKMJKVSLE-CYBMUJFWSA-N 1 0 319.246 4.442 20 30 DIEDRO C#Cc1ccc(C[NH2+]C[C@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC001620931913 1055547055 /nfs/dbraw/zinc/54/70/55/1055547055.db2.gz PRPSNNPUXHJRJG-KRWDZBQOSA-N 1 0 307.437 4.348 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C1 ZINC001620933547 1055549335 /nfs/dbraw/zinc/54/93/35/1055549335.db2.gz YBIHSZPRBYUHAK-BBRMVZONSA-N 1 0 309.400 4.457 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001620940062 1055553594 /nfs/dbraw/zinc/55/35/94/1055553594.db2.gz GSVUROTYWIGXQO-MOPGFXCFSA-N 1 0 313.828 4.440 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC001620938802 1055553759 /nfs/dbraw/zinc/55/37/59/1055553759.db2.gz NFFXNYDPYGKUEC-UHFFFAOYSA-N 1 0 308.219 4.497 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000186158926 1055555557 /nfs/dbraw/zinc/55/55/57/1055555557.db2.gz LFVCOVVPHIHVJC-UHFFFAOYSA-N 1 0 319.452 4.099 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1C1CCOCC1 ZINC001237911265 1055556962 /nfs/dbraw/zinc/55/69/62/1055556962.db2.gz DEBLZYHFUCDWCK-UHFFFAOYSA-N 1 0 320.436 4.084 20 30 DIEDRO CCCCCCCC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001538179024 1055559626 /nfs/dbraw/zinc/55/96/26/1055559626.db2.gz CBWSKKRFUJCDRU-UHFFFAOYSA-N 1 0 308.510 4.260 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001620950342 1055565432 /nfs/dbraw/zinc/56/54/32/1055565432.db2.gz XSRWQXAMNUEUAV-UHFFFAOYSA-N 1 0 305.462 4.390 20 30 DIEDRO Cc1ccc(C2(C[NH2+]Cc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC001620951766 1055568703 /nfs/dbraw/zinc/56/87/03/1055568703.db2.gz VYTMSOVAVNCILS-UHFFFAOYSA-N 1 0 308.400 4.136 20 30 DIEDRO Cc1sccc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001237972938 1055571406 /nfs/dbraw/zinc/57/14/06/1055571406.db2.gz VJGQCJVJFZUEKH-UHFFFAOYSA-N 1 0 310.466 4.383 20 30 DIEDRO N#Cc1cc(CNc2cccc(C[NH+]3CCCCC3)c2)cs1 ZINC000921574022 1055573384 /nfs/dbraw/zinc/57/33/84/1055573384.db2.gz YKNDQIIRDOTMED-UHFFFAOYSA-N 1 0 311.454 4.218 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)cc(OC)c1O ZINC001620959581 1055592356 /nfs/dbraw/zinc/59/23/56/1055592356.db2.gz DQMJCJGWLGRHRE-LIRRHRJNSA-N 1 0 303.446 4.188 20 30 DIEDRO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238194464 1055618010 /nfs/dbraw/zinc/61/80/10/1055618010.db2.gz OEWJFLPXAPQDFV-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2cccs2)n1 ZINC001238219068 1055623297 /nfs/dbraw/zinc/62/32/97/1055623297.db2.gz KXRCEPCTCUIOOZ-UHFFFAOYSA-N 1 0 319.433 4.314 20 30 DIEDRO C=CC[N@H+](Cc1cncc(OCc2ccccc2)c1)C(C)(C)C ZINC001238367302 1055647000 /nfs/dbraw/zinc/64/70/00/1055647000.db2.gz ALIFUILIYXLXRY-UHFFFAOYSA-N 1 0 310.441 4.447 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC001238372447 1055649566 /nfs/dbraw/zinc/64/95/66/1055649566.db2.gz TUQUUBGZLCLQMJ-UHFFFAOYSA-N 1 0 310.441 4.449 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)ccc1C#N ZINC001238413339 1055653589 /nfs/dbraw/zinc/65/35/89/1055653589.db2.gz NJCZOTFZVXXEPI-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)ccc1C#N ZINC001238407512 1055653621 /nfs/dbraw/zinc/65/36/21/1055653621.db2.gz OYLMNQPGCCEVJT-GOSISDBHSA-N 1 0 310.372 4.043 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921621506 1055662895 /nfs/dbraw/zinc/66/28/95/1055662895.db2.gz OHTYIVMWTVSCOS-CYBMUJFWSA-N 1 0 300.427 4.259 20 30 DIEDRO Cc1ccc(OC(C)C)cc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001238478709 1055668151 /nfs/dbraw/zinc/66/81/51/1055668151.db2.gz YWWNWHMIYZQPPV-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO Fc1ccc(C[NH+]2CCC(S)CC2)cc1-c1ccccc1 ZINC001238548359 1055683005 /nfs/dbraw/zinc/68/30/05/1055683005.db2.gz BGLHOTHVQRSKRR-UHFFFAOYSA-N 1 0 301.430 4.387 20 30 DIEDRO Cc1cc(NCc2c(C)cc(C#N)cc2C)ccc1C[NH+](C)C ZINC001620966102 1055690093 /nfs/dbraw/zinc/69/00/93/1055690093.db2.gz JBHFUKYRVJPWBC-UHFFFAOYSA-N 1 0 307.441 4.157 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)cnc1-c1ccccc1 ZINC001238611417 1055695790 /nfs/dbraw/zinc/69/57/90/1055695790.db2.gz IOZWLYNAYVEQAK-UHFFFAOYSA-N 1 0 305.425 4.183 20 30 DIEDRO CCCCCCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001596337825 1055697572 /nfs/dbraw/zinc/69/75/72/1055697572.db2.gz CDYGKJWDPMITAG-LJQANCHMSA-N 1 0 316.489 4.128 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238640287 1055707538 /nfs/dbraw/zinc/70/75/38/1055707538.db2.gz KKWCYOSMIKNBPZ-OAHLLOKOSA-N 1 0 310.828 4.247 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC001620967568 1055711715 /nfs/dbraw/zinc/71/17/15/1055711715.db2.gz NKYCSRWMDBVKDK-IBGZPJMESA-N 1 0 318.420 4.217 20 30 DIEDRO Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001238664499 1055712314 /nfs/dbraw/zinc/71/23/14/1055712314.db2.gz LYVPWKFBQPOKPH-KRWDZBQOSA-N 1 0 300.446 4.216 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(OC)c(OCCCC)c2)c1 ZINC001620968644 1055725647 /nfs/dbraw/zinc/72/56/47/1055725647.db2.gz DVPNUCOTQCGVPU-UHFFFAOYSA-N 1 0 323.436 4.145 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001538854004 1055736477 /nfs/dbraw/zinc/73/64/77/1055736477.db2.gz YQWBTGHFNGLXMP-OKZBNKHCSA-N 1 0 310.526 4.172 20 30 DIEDRO C=C[C@@H](CC)CC(=O)N(C[C@@H](C)[NH+](C)C)c1c(C)cccc1C ZINC001596785556 1055746463 /nfs/dbraw/zinc/74/64/63/1055746463.db2.gz DXVJMYBJFRVBQN-MSOLQXFVSA-N 1 0 316.489 4.189 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001238838277 1055760480 /nfs/dbraw/zinc/76/04/80/1055760480.db2.gz LWLCMYBXFXKVMU-OAHLLOKOSA-N 1 0 317.314 4.064 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2ccc(C(F)(F)F)cc2C#N)c1 ZINC001238843912 1055764409 /nfs/dbraw/zinc/76/44/09/1055764409.db2.gz PXPMFJXEJUVFFF-UHFFFAOYSA-N 1 0 304.315 4.306 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001238844876 1055765824 /nfs/dbraw/zinc/76/58/24/1055765824.db2.gz SFRNGZYHNGVDJQ-INIZCTEOSA-N 1 0 302.299 4.190 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001238845214 1055765918 /nfs/dbraw/zinc/76/59/18/1055765918.db2.gz XQTOLASTMLTPEX-UHFFFAOYSA-N 1 0 304.315 4.438 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2ccc(C(F)(F)F)cc2C#N)c1F ZINC001238844415 1055766318 /nfs/dbraw/zinc/76/63/18/1055766318.db2.gz BXEKHDBIXBDEPW-UHFFFAOYSA-N 1 0 322.305 4.445 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C[NH+]2CCC2)cc1 ZINC001238845718 1055767707 /nfs/dbraw/zinc/76/77/07/1055767707.db2.gz QCQLBAWGQTWAEO-UHFFFAOYSA-N 1 0 316.326 4.450 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC001597032270 1055778130 /nfs/dbraw/zinc/77/81/30/1055778130.db2.gz PIKYPXNHSHQZND-XSLAGTTESA-N 1 0 310.526 4.361 20 30 DIEDRO CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC001649060847 1055818654 /nfs/dbraw/zinc/81/86/54/1055818654.db2.gz SDGVNUVTVJDEAF-IBGZPJMESA-N 1 0 308.425 4.068 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)Nc1ccc(CC[NH3+])cc1 ZINC001239189889 1055844099 /nfs/dbraw/zinc/84/40/99/1055844099.db2.gz ZVEHVADYLXVNKA-HNNXBMFYSA-N 1 0 305.466 4.058 20 30 DIEDRO CCCCCCCNC(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001239190286 1055844021 /nfs/dbraw/zinc/84/40/21/1055844021.db2.gz ISRKKTXEEVCKMA-UHFFFAOYSA-N 1 0 303.450 4.116 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC001239188653 1055844663 /nfs/dbraw/zinc/84/46/63/1055844663.db2.gz JROHYGWHTHDZIY-HNNXBMFYSA-N 1 0 317.477 4.203 20 30 DIEDRO CCCCCCCNC(=O)Nc1cccc(C2CC[NH2+]CC2)c1 ZINC001239189673 1055844815 /nfs/dbraw/zinc/84/48/15/1055844815.db2.gz DFPPBWOZJAVWSS-UHFFFAOYSA-N 1 0 317.477 4.246 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC2(CCCC[NH2+]2)CC1 ZINC001239273537 1055855893 /nfs/dbraw/zinc/85/58/93/1055855893.db2.gz OVTOTJUTOLYECI-KRWDZBQOSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001239276335 1055856414 /nfs/dbraw/zinc/85/64/14/1055856414.db2.gz BIQICRTWCHKMBZ-HKUYNNGSSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001239309532 1055862369 /nfs/dbraw/zinc/86/23/69/1055862369.db2.gz PUSKSHIWROOKHR-WMZOPIPTSA-N 1 0 323.525 4.052 20 30 DIEDRO CCCCCCCCNC(=O)N(CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239304953 1055863020 /nfs/dbraw/zinc/86/30/20/1055863020.db2.gz JHXMBZRSAWGPJG-IYARVYRRSA-N 1 0 323.525 4.038 20 30 DIEDRO CCCCCCCCCCOC(=O)N1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001239328856 1055873795 /nfs/dbraw/zinc/87/37/95/1055873795.db2.gz OKPOGZJJPYMQHV-HOTGVXAUSA-N 1 0 316.461 4.025 20 30 DIEDRO CCCCCCCOC(=O)N(C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239339433 1055875550 /nfs/dbraw/zinc/87/55/50/1055875550.db2.gz YZHHBFONXAUCAD-JCNLHEQBSA-N 1 0 310.482 4.218 20 30 DIEDRO CCCCCCCCNC(=S)Nc1cccc(C[NH2+]CC)c1 ZINC001239346568 1055877269 /nfs/dbraw/zinc/87/72/69/1055877269.db2.gz JZVIGQBLKRIGQJ-UHFFFAOYSA-N 1 0 321.534 4.443 20 30 DIEDRO CCCCCCCCCNC(=S)Nc1ccccc1CC[NH3+] ZINC001239348422 1055877480 /nfs/dbraw/zinc/87/74/80/1055877480.db2.gz VWBHDAVJBYHDFJ-UHFFFAOYSA-N 1 0 321.534 4.225 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001570618641 1055908683 /nfs/dbraw/zinc/90/86/83/1055908683.db2.gz JCPHWBDBLIWTMY-OKZBNKHCSA-N 1 0 308.510 4.116 20 30 DIEDRO CSc1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001239498897 1055912408 /nfs/dbraw/zinc/91/24/08/1055912408.db2.gz OSBOAESPTWUYNY-UHFFFAOYSA-N 1 0 324.449 4.078 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1C(F)(F)F ZINC001620755273 1055927520 /nfs/dbraw/zinc/92/75/20/1055927520.db2.gz RBZZUFJVCNDVMK-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CC(C)(C)c2ccccc2C)cc1 ZINC001620762068 1055933837 /nfs/dbraw/zinc/93/38/37/1055933837.db2.gz FDVJMOSVJFKFIR-UHFFFAOYSA-N 1 0 307.437 4.074 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CC3CCC2CC3)c1 ZINC001620983109 1055936394 /nfs/dbraw/zinc/93/63/94/1055936394.db2.gz TWYFWKKXEQXHOK-NKELODKYSA-N 1 0 312.457 4.285 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3cc(C)ccc32)cc1OC ZINC001620767931 1055937344 /nfs/dbraw/zinc/93/73/44/1055937344.db2.gz PYICQWCDHDHPPP-IBGZPJMESA-N 1 0 323.436 4.346 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000671743954 1055939688 /nfs/dbraw/zinc/93/96/88/1055939688.db2.gz HTSKBMLGAJVLRF-INIZCTEOSA-N 1 0 311.425 4.376 20 30 DIEDRO C=C(C[NH2+]Cc1cn(CC)nc1-c1ccccc1)c1ccccc1 ZINC001620773376 1055939936 /nfs/dbraw/zinc/93/99/36/1055939936.db2.gz ZVGUKXRGQJSKKO-UHFFFAOYSA-N 1 0 317.436 4.373 20 30 DIEDRO C=C(C[NH2+]Cc1nc(C(C)C)n2ccccc12)c1ccccc1 ZINC001620773087 1055940004 /nfs/dbraw/zinc/94/00/04/1055940004.db2.gz LOUQWOQXVRZIQN-UHFFFAOYSA-N 1 0 305.425 4.261 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)C2(C)CC2)cc1OC ZINC001620773510 1055940129 /nfs/dbraw/zinc/94/01/29/1055940129.db2.gz HBVCPWKEOMPZMU-GFCCVEGCSA-N 1 0 309.837 4.192 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCc2cccc(F)c2)cc1 ZINC001620772918 1055940296 /nfs/dbraw/zinc/94/02/96/1055940296.db2.gz DWXJAPORGSKQOA-UHFFFAOYSA-N 1 0 310.416 4.349 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1(C)C ZINC001621121336 1055948554 /nfs/dbraw/zinc/94/85/54/1055948554.db2.gz CWTPJNBFVISVTC-ZWKOTPCHSA-N 1 0 314.473 4.123 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC001620545814 1055964813 /nfs/dbraw/zinc/96/48/13/1055964813.db2.gz LPFOFSNOHXSDPY-HKUYNNGSSA-N 1 0 309.494 4.402 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@]1(C)c1ccccc1 ZINC001620539627 1055965319 /nfs/dbraw/zinc/96/53/19/1055965319.db2.gz PDBURHQANARUEB-HXUWFJFHSA-N 1 0 306.409 4.078 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC001620998387 1055968023 /nfs/dbraw/zinc/96/80/23/1055968023.db2.gz WVSPQJUYQYPCLM-UHFFFAOYSA-N 1 0 305.418 4.485 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(OC)OC)ccc1F ZINC001621004207 1055970601 /nfs/dbraw/zinc/97/06/01/1055970601.db2.gz NXOAPZKFGCKAAT-KDOFPFPSSA-N 1 0 321.436 4.342 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+]CCc2ccc(C#N)cc2)c(C)c1 ZINC001621004159 1055971284 /nfs/dbraw/zinc/97/12/84/1055971284.db2.gz LMXPRMLAQFIQED-PLNGDYQASA-N 1 0 304.437 4.329 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC001621004147 1055971294 /nfs/dbraw/zinc/97/12/94/1055971294.db2.gz KZDCCYFJBTXOJF-SJORKVTESA-N 1 0 303.446 4.318 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001620654380 1055978093 /nfs/dbraw/zinc/97/80/93/1055978093.db2.gz FQMFVNKIJMPRHW-LJQANCHMSA-N 1 0 324.509 4.432 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cc(Br)cnc1Cl ZINC001621016654 1055980816 /nfs/dbraw/zinc/98/08/16/1055980816.db2.gz RKBMWCKNNZZWIH-UHFFFAOYSA-N 1 0 317.658 4.189 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)C1 ZINC001620742721 1055991399 /nfs/dbraw/zinc/99/13/99/1055991399.db2.gz UKPDBZHBWVKTIM-RDJZCZTQSA-N 1 0 313.420 4.154 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001621028507 1055992928 /nfs/dbraw/zinc/99/29/28/1055992928.db2.gz FXRZPDUZSHMCDE-MJGOQNOKSA-N 1 0 300.490 4.089 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1ccccc1 ZINC001621048330 1056008687 /nfs/dbraw/zinc/00/86/87/1056008687.db2.gz DVTOONJAAZKZKY-HXUWFJFHSA-N 1 0 309.457 4.480 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC001621048697 1056008815 /nfs/dbraw/zinc/00/88/15/1056008815.db2.gz VBJSFVOYRFYUMJ-GOSISDBHSA-N 1 0 322.443 4.403 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(O[C@@H](C)CC)c2)CC1 ZINC001621054567 1056013073 /nfs/dbraw/zinc/01/30/73/1056013073.db2.gz NZPWIFDFCTWJHQ-BQFCYCMXSA-N 1 0 315.457 4.154 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC001621054155 1056013373 /nfs/dbraw/zinc/01/33/73/1056013373.db2.gz BGMLDRDMVRLSKU-MQMHXKEQSA-N 1 0 302.468 4.153 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC001621057297 1056014504 /nfs/dbraw/zinc/01/45/04/1056014504.db2.gz YMXFQOAHTROWNR-UHFFFAOYSA-N 1 0 309.425 4.315 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2cnc3ccccc3c2)c1 ZINC001621060562 1056014730 /nfs/dbraw/zinc/01/47/30/1056014730.db2.gz DMJCVBVDKQOYDL-UHFFFAOYSA-N 1 0 318.420 4.132 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc3ncccc23)cc1 ZINC001621058767 1056014991 /nfs/dbraw/zinc/01/49/91/1056014991.db2.gz YUWOTPDCVNVOSE-UHFFFAOYSA-N 1 0 315.420 4.326 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1nccc(-c2ccccc2)c1C#N ZINC001239680369 1056023600 /nfs/dbraw/zinc/02/36/00/1056023600.db2.gz QTWOERTXEPFENF-UHFFFAOYSA-N 1 0 313.404 4.349 20 30 DIEDRO CCCCCCCCCN(C)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001583131613 1056026893 /nfs/dbraw/zinc/02/68/93/1056026893.db2.gz FZGJGEUDLQFGBY-UHFFFAOYSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CCC3(CSC3)CC2)cc1 ZINC001621327142 1056033861 /nfs/dbraw/zinc/03/38/61/1056033861.db2.gz JHADHZGFCYUKCF-UHFFFAOYSA-N 1 0 303.471 4.017 20 30 DIEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC001621339224 1056045347 /nfs/dbraw/zinc/04/53/47/1056045347.db2.gz FKEXTOWWUXHMBJ-PXNSSMCTSA-N 1 0 305.425 4.017 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000186303391 1056094233 /nfs/dbraw/zinc/09/42/33/1056094233.db2.gz ASCOKCXJUAXMCU-QGZVFWFLSA-N 1 0 324.449 4.166 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000186323571 1056101703 /nfs/dbraw/zinc/10/17/03/1056101703.db2.gz VTGSDNDCSWCQNX-KRWDZBQOSA-N 1 0 319.452 4.318 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)cc1OC ZINC000186319508 1056101791 /nfs/dbraw/zinc/10/17/91/1056101791.db2.gz IOPOHLWHKCHRSY-OAHLLOKOSA-N 1 0 324.424 4.043 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CCC2CC2)ccc1OC ZINC000186404738 1056155211 /nfs/dbraw/zinc/15/52/11/1056155211.db2.gz WBKBAJWGMJCUDG-WMLDXEAASA-N 1 0 316.445 4.044 20 30 DIEDRO CC(C)(C)OCc1cccc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000921652883 1056163780 /nfs/dbraw/zinc/16/37/80/1056163780.db2.gz INWKOQMSSJODFV-UHFFFAOYSA-N 1 0 314.454 4.225 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3cc(F)c(C#N)c(F)c3)cc2)CC1 ZINC001239934821 1056169969 /nfs/dbraw/zinc/16/99/69/1056169969.db2.gz YZWSYSALCQJIJI-UHFFFAOYSA-N 1 0 312.363 4.313 20 30 DIEDRO C=C(C)CN(CC)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000016485222 1056173056 /nfs/dbraw/zinc/17/30/56/1056173056.db2.gz WDTDICWBNMUXON-UHFFFAOYSA-N 1 0 324.424 4.315 20 30 DIEDRO C=CC1(CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCCCC1 ZINC001543093156 1056173628 /nfs/dbraw/zinc/17/36/28/1056173628.db2.gz KJWDBKYVPTUACO-GOSISDBHSA-N 1 0 320.521 4.140 20 30 DIEDRO C=C(C)CCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001583947120 1056210063 /nfs/dbraw/zinc/21/00/63/1056210063.db2.gz LCGHPHZDWSKGGW-UHFFFAOYSA-N 1 0 300.446 4.357 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC001543416720 1056215799 /nfs/dbraw/zinc/21/57/99/1056215799.db2.gz PROCYFHZHYKGRB-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO N#Cc1cc(-c2ccc(C[NH+]3CCCC3)cc2)nc2ccccc12 ZINC001240051083 1056285927 /nfs/dbraw/zinc/28/59/27/1056285927.db2.gz YZLKACCVLCRTSI-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO N#Cc1c[nH]c2cc(-c3ccc(C[NH+]4CCCC4)cc3)ccc12 ZINC001240057961 1056292347 /nfs/dbraw/zinc/29/23/47/1056292347.db2.gz DRGPITZFTAFTJE-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO N#Cc1cc2cc(-c3ccc(C[NH+]4CCCC4)cc3)ccc2[nH]1 ZINC001240059877 1056295573 /nfs/dbraw/zinc/29/55/73/1056295573.db2.gz ZKUUDURBCOENPF-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO N#Cc1cc2[nH]ccc2c(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001240060608 1056298400 /nfs/dbraw/zinc/29/84/00/1056298400.db2.gz PQMYKUUFUOGHOD-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001584351622 1056324193 /nfs/dbraw/zinc/32/41/93/1056324193.db2.gz XJKAVWZFDVYKKV-IRXDYDNUSA-N 1 0 310.526 4.362 20 30 DIEDRO C[C@H]1C[C@@H](Nc2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000301565525 1056332710 /nfs/dbraw/zinc/33/27/10/1056332710.db2.gz WBYYEAYTGPBWHC-RDJZCZTQSA-N 1 0 323.415 4.162 20 30 DIEDRO C[C@H]1C[C@@H](Nc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000301545485 1056334799 /nfs/dbraw/zinc/33/47/99/1056334799.db2.gz OSKFTLOOMHQMRZ-YJBOKZPZSA-N 1 0 323.415 4.162 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)cc1F ZINC000301594521 1056336493 /nfs/dbraw/zinc/33/64/93/1056336493.db2.gz RNGBFUWLGOFLDT-BEFAXECRSA-N 1 0 323.415 4.020 20 30 DIEDRO COc1cc(-c2cccc(C[NH+]3CCCCC3)c2)ccc1CC#N ZINC001240169963 1056361471 /nfs/dbraw/zinc/36/14/71/1056361471.db2.gz VGKYKGNIVGLDRR-UHFFFAOYSA-N 1 0 320.436 4.414 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000123164571 1056373295 /nfs/dbraw/zinc/37/32/95/1056373295.db2.gz RAHJCTMJBYKJNP-GOSISDBHSA-N 1 0 318.342 4.462 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC=C)cc1 ZINC000765907948 1056382289 /nfs/dbraw/zinc/38/22/89/1056382289.db2.gz KMYAMOVNOKWTCL-KRWDZBQOSA-N 1 0 321.420 4.114 20 30 DIEDRO N#Cc1cc(-c2ccc(F)c3ccccc32)cc(C2C[NH2+]C2)c1 ZINC001240345847 1056439070 /nfs/dbraw/zinc/43/90/70/1056439070.db2.gz QPZWIMJGOJULCZ-UHFFFAOYSA-N 1 0 302.352 4.204 20 30 DIEDRO N#CC1(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC001614547919 1056440672 /nfs/dbraw/zinc/44/06/72/1056440672.db2.gz KXCYAUWHGSNQSE-SFHVURJKSA-N 1 0 314.498 4.468 20 30 DIEDRO CCCCCOc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240351727 1056442462 /nfs/dbraw/zinc/44/24/62/1056442462.db2.gz YVWQKAIHWVWPBG-UHFFFAOYSA-N 1 0 320.436 4.481 20 30 DIEDRO CCc1cc(C)cc(CC)c1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240350703 1056442485 /nfs/dbraw/zinc/44/24/85/1056442485.db2.gz IDCRBSLNHQTDCV-UHFFFAOYSA-N 1 0 304.437 4.345 20 30 DIEDRO COCC#CC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001168656464 1056445816 /nfs/dbraw/zinc/44/58/16/1056445816.db2.gz CEGBVYJFRJKEJZ-GOSISDBHSA-N 1 0 305.849 4.201 20 30 DIEDRO COc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1C(C)C ZINC001240360962 1056445940 /nfs/dbraw/zinc/44/59/40/1056445940.db2.gz KDSFQRIQXBFODG-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1 ZINC001168656785 1056447122 /nfs/dbraw/zinc/44/71/22/1056447122.db2.gz HFZWBEOOFVUHIP-HRCADAONSA-N 1 0 313.363 4.393 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1 ZINC001168656791 1056448023 /nfs/dbraw/zinc/44/80/23/1056448023.db2.gz HFZWBEOOFVUHIP-PMPSAXMXSA-N 1 0 313.363 4.393 20 30 DIEDRO COc1nc(C)c(-c2ccc(C[NH2+]C(C)(C)C)cc2)c(C)c1C#N ZINC001240370387 1056457353 /nfs/dbraw/zinc/45/73/53/1056457353.db2.gz INOOPPUBOSQZTK-UHFFFAOYSA-N 1 0 323.440 4.134 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+]C(C)(C)C)cc2)c(CC#N)c1 ZINC001240373735 1056459982 /nfs/dbraw/zinc/45/99/82/1056459982.db2.gz QDCOIUCYZZGJKR-UHFFFAOYSA-N 1 0 308.425 4.316 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(/C=N/O)c(F)c2)cc1 ZINC001240376281 1056460648 /nfs/dbraw/zinc/46/06/48/1056460648.db2.gz KABNQQMNUZXUPE-CIAFOILYSA-N 1 0 300.377 4.189 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000072742229 1056467481 /nfs/dbraw/zinc/46/74/81/1056467481.db2.gz LVKMOWPPHUMOLX-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO N#CCc1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC001240387253 1056469010 /nfs/dbraw/zinc/46/90/10/1056469010.db2.gz LCXOJHHEMIEWER-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO N#Cc1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)c2cc[nH]c21 ZINC001240386715 1056469306 /nfs/dbraw/zinc/46/93/06/1056469306.db2.gz IBGCPFNXHOKXGX-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO CC#CC[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC001615200705 1056476855 /nfs/dbraw/zinc/47/68/55/1056476855.db2.gz JNGKITPJXXFJDW-UHFFFAOYSA-N 1 0 309.375 4.373 20 30 DIEDRO C#CC[N@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CCc2ccccc21 ZINC001615264634 1056483880 /nfs/dbraw/zinc/48/38/80/1056483880.db2.gz CYNXRWHPSLBWNK-JOCHJYFZSA-N 1 0 301.433 4.298 20 30 DIEDRO CCC(CC)c1cc(CNCc2c(C)cc(C#N)cc2C)on1 ZINC000921785187 1056491081 /nfs/dbraw/zinc/49/10/81/1056491081.db2.gz KAUGITIIZBIQMY-UHFFFAOYSA-N 1 0 311.429 4.357 20 30 DIEDRO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC001615327215 1056493846 /nfs/dbraw/zinc/49/38/46/1056493846.db2.gz VTPKHJXIQITYCV-HXUWFJFHSA-N 1 0 323.436 4.137 20 30 DIEDRO CCCCCC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001615331761 1056494650 /nfs/dbraw/zinc/49/46/50/1056494650.db2.gz BRUABFSCJARFQH-IBGZPJMESA-N 1 0 302.462 4.100 20 30 DIEDRO N#Cc1cc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cs1 ZINC000921804850 1056506598 /nfs/dbraw/zinc/50/65/98/1056506598.db2.gz AWKRJXPOADEXHV-UHFFFAOYSA-N 1 0 302.365 4.078 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC001615558632 1056533816 /nfs/dbraw/zinc/53/38/16/1056533816.db2.gz HEADNLVQFCBZEF-HNAYVOBHSA-N 1 0 308.400 4.118 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001615578455 1056540111 /nfs/dbraw/zinc/54/01/11/1056540111.db2.gz SXPTZUSNWOFGHI-JKSUJKDBSA-N 1 0 306.475 4.035 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCCC[C@H]1CC(C)C ZINC001615584483 1056542413 /nfs/dbraw/zinc/54/24/13/1056542413.db2.gz SUYGSWZPHHGFAY-SFHVURJKSA-N 1 0 300.446 4.358 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCCOC(C)C)cc1 ZINC001168681559 1056545920 /nfs/dbraw/zinc/54/59/20/1056545920.db2.gz JVOAHTQBZHWHQV-LJQANCHMSA-N 1 0 302.462 4.237 20 30 DIEDRO CC(C)([NH2+][C@H]1Cc2cccc(Cl)c2C1)c1ccc(C#N)cc1 ZINC001168686212 1056554904 /nfs/dbraw/zinc/55/49/04/1056554904.db2.gz WQMVVAZBNWTZDP-INIZCTEOSA-N 1 0 310.828 4.204 20 30 DIEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001615989132 1056604196 /nfs/dbraw/zinc/60/41/96/1056604196.db2.gz XBCBYRWZWYOGTA-QFBILLFUSA-N 1 0 300.446 4.228 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)C1(CC)CC ZINC001615998549 1056604842 /nfs/dbraw/zinc/60/48/42/1056604842.db2.gz FZPCEBNTHWDPBE-SJORKVTESA-N 1 0 318.436 4.113 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)C1(CC)CC ZINC001615998029 1056605781 /nfs/dbraw/zinc/60/57/81/1056605781.db2.gz AIEYJBSTAURWKD-RBUKOAKNSA-N 1 0 314.473 4.168 20 30 DIEDRO CC(C)C[C@@H]1CCCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001616066689 1056610944 /nfs/dbraw/zinc/61/09/44/1056610944.db2.gz IILUDDFGWAEYKE-SFHVURJKSA-N 1 0 300.446 4.228 20 30 DIEDRO CCC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001616160449 1056615878 /nfs/dbraw/zinc/61/58/78/1056615878.db2.gz YWXQUYQFAHSGRG-ZDUSSCGKSA-N 1 0 321.262 4.333 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([N@H+](C)CCc2ccc(C#N)cc2)C1(C)C ZINC001616167709 1056616337 /nfs/dbraw/zinc/61/63/37/1056616337.db2.gz UXEQGSBVLHELQO-RBUKOAKNSA-N 1 0 314.473 4.016 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(O)c(OC)c2)cc1 ZINC001240619629 1056616997 /nfs/dbraw/zinc/61/69/97/1056616997.db2.gz RBAFLIBRGGNSGD-GOSISDBHSA-N 1 0 309.409 4.391 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C1CCC(OC(C)C)CC1 ZINC000921927842 1056634223 /nfs/dbraw/zinc/63/42/23/1056634223.db2.gz JFYWBAXHVHCUMN-UHFFFAOYSA-N 1 0 300.446 4.001 20 30 DIEDRO N#Cc1cncc(C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC001616323196 1056635095 /nfs/dbraw/zinc/63/50/95/1056635095.db2.gz SQECUVTWUJPKIR-ZJVMWOEPSA-N 1 0 317.436 4.411 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2SCC)c1 ZINC001620830893 1056646825 /nfs/dbraw/zinc/64/68/25/1056646825.db2.gz BVKMQOXCGGAEHB-ZWKOTPCHSA-N 1 0 305.487 4.405 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3Cc4cccc(Cl)c4C3)(CC1)CC2 ZINC001168698271 1056694396 /nfs/dbraw/zinc/69/43/96/1056694396.db2.gz KUYAQPAJMHJRNK-NNGSBXSVSA-N 1 0 300.833 4.013 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccccc1 ZINC001616739190 1056708722 /nfs/dbraw/zinc/70/87/22/1056708722.db2.gz VUZLFIAHVMDQKR-KRWDZBQOSA-N 1 0 303.446 4.405 20 30 DIEDRO C=CCC[C@H]([NH2+]C[Si](C)(C)c1ccccc1)c1ccccc1 ZINC001616739408 1056710621 /nfs/dbraw/zinc/71/06/21/1056710621.db2.gz YWEKZNNHLUGMAG-FQEVSTJZSA-N 1 0 309.529 4.438 20 30 DIEDRO C#CC[C@@H]([NH2+]CCc1c(F)cccc1Cl)c1ccccc1 ZINC001616786271 1056716946 /nfs/dbraw/zinc/71/69/46/1056716946.db2.gz GRMSUCNQGWQTNH-GOSISDBHSA-N 1 0 301.792 4.376 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC001616856984 1056729284 /nfs/dbraw/zinc/72/92/84/1056729284.db2.gz OTFFNVNXFONZCA-SFHVURJKSA-N 1 0 319.807 4.460 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001616874812 1056732031 /nfs/dbraw/zinc/73/20/31/1056732031.db2.gz YFFFDEMFIMJRJK-WMZOPIPTSA-N 1 0 311.425 4.457 20 30 DIEDRO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CCCCC1 ZINC001586457486 1056739583 /nfs/dbraw/zinc/73/95/83/1056739583.db2.gz MUKOAGJLYNFATA-SFHVURJKSA-N 1 0 318.505 4.036 20 30 DIEDRO C[C@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)CC(C)(C)C ZINC001616920347 1056740858 /nfs/dbraw/zinc/74/08/58/1056740858.db2.gz AHSVCKLNSDYCCG-MAUKXSAKSA-N 1 0 300.446 4.004 20 30 DIEDRO C[C@@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)CC(C)(C)C ZINC001616920348 1056740899 /nfs/dbraw/zinc/74/08/99/1056740899.db2.gz AHSVCKLNSDYCCG-QAPCUYQASA-N 1 0 300.446 4.004 20 30 DIEDRO Cc1ccc([C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)cc1 ZINC001617147704 1056783549 /nfs/dbraw/zinc/78/35/49/1056783549.db2.gz UDGBHBBGMIMTLS-LJQANCHMSA-N 1 0 309.840 4.489 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(F)c(F)c1 ZINC001617345931 1056817855 /nfs/dbraw/zinc/81/78/55/1056817855.db2.gz VVCLXQKQNBNSRL-QGZVFWFLSA-N 1 0 309.400 4.257 20 30 DIEDRO C=C(C)CCC(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC001617539028 1056847176 /nfs/dbraw/zinc/84/71/76/1056847176.db2.gz BIFGCKYQYKACHF-QGZVFWFLSA-N 1 0 316.489 4.369 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000922145834 1056847449 /nfs/dbraw/zinc/84/74/49/1056847449.db2.gz XDAZPQGQCZJYRD-HXUWFJFHSA-N 1 0 322.456 4.208 20 30 DIEDRO C=CC[N@@H+](CCOC)[C@H](CC)c1ccc(Br)cc1 ZINC001617655067 1056864973 /nfs/dbraw/zinc/86/49/73/1056864973.db2.gz YOWMFQJWPLDRQW-OAHLLOKOSA-N 1 0 312.251 4.035 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)[C@H](C)[C@H]1OC ZINC001617735697 1056876637 /nfs/dbraw/zinc/87/66/37/1056876637.db2.gz SEQQGTIPIPUVMX-MJSCVDMRSA-N 1 0 300.446 4.049 20 30 DIEDRO CCOc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1F ZINC001241089714 1056880761 /nfs/dbraw/zinc/88/07/61/1056880761.db2.gz WSPFVEMWVSAZIB-UHFFFAOYSA-N 1 0 324.399 4.036 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001617874838 1056894847 /nfs/dbraw/zinc/89/48/47/1056894847.db2.gz IIDKXWMOTGHLPB-HXUWFJFHSA-N 1 0 324.553 4.314 20 30 DIEDRO Cc1ccc2ncc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)cc2c1 ZINC001617881481 1056896351 /nfs/dbraw/zinc/89/63/51/1056896351.db2.gz JLXBBQMXXMWTTB-HNNXBMFYSA-N 1 0 301.393 4.266 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000078973496 1056897966 /nfs/dbraw/zinc/89/79/66/1056897966.db2.gz FIKLSUQTIJYUOM-ZIAGYGMSSA-N 1 0 309.369 4.187 20 30 DIEDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C1(C)C ZINC001617999998 1056912419 /nfs/dbraw/zinc/91/24/19/1056912419.db2.gz CPDPORMIWPNQJT-VQTJNVASSA-N 1 0 320.436 4.128 20 30 DIEDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C1(C)C ZINC001617999999 1056912641 /nfs/dbraw/zinc/91/26/41/1056912641.db2.gz CPDPORMIWPNQJT-WOJBJXKFSA-N 1 0 320.436 4.128 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC001618048692 1056918156 /nfs/dbraw/zinc/91/81/56/1056918156.db2.gz SHRLRTAJFKPRJE-MRXNPFEDSA-N 1 0 313.363 4.256 20 30 DIEDRO Cc1cccc2c1CC(C)(C)[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC001618092468 1056923699 /nfs/dbraw/zinc/92/36/99/1056923699.db2.gz UFHHXKMVIGJAFF-UHFFFAOYSA-N 1 0 307.412 4.323 20 30 DIEDRO CC(C)([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccccc1F ZINC001618196620 1056932663 /nfs/dbraw/zinc/93/26/63/1056932663.db2.gz QVTBUMVZIZLXPN-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001618235912 1056939355 /nfs/dbraw/zinc/93/93/55/1056939355.db2.gz ZDMXYWXJAMSRJI-NRFANRHFSA-N 1 0 307.437 4.039 20 30 DIEDRO Cc1ccc(-c2ncc(C[NH2+]Cc3cccc(C#N)c3)s2)cc1 ZINC000115611716 1056943766 /nfs/dbraw/zinc/94/37/66/1056943766.db2.gz GLGPYTNIBLXVHJ-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccccc1 ZINC000657412328 1056952106 /nfs/dbraw/zinc/95/21/06/1056952106.db2.gz CMTAARCIRGQTCI-HNNXBMFYSA-N 1 0 323.362 4.236 20 30 DIEDRO C[C@@H]1c2ccsc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000315264562 1056957439 /nfs/dbraw/zinc/95/74/39/1056957439.db2.gz DYOBHXBBWUKYDS-CQSZACIVSA-N 1 0 312.438 4.008 20 30 DIEDRO CC(C)(C)c1coc(CN[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000922190686 1056960903 /nfs/dbraw/zinc/96/09/03/1056960903.db2.gz OJOHRVVSDJMUBA-INIZCTEOSA-N 1 0 309.413 4.011 20 30 DIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000116263862 1056969774 /nfs/dbraw/zinc/96/97/74/1056969774.db2.gz AABXOTFASHOJEJ-INIZCTEOSA-N 1 0 305.425 4.196 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000118400118 1057018429 /nfs/dbraw/zinc/01/84/29/1057018429.db2.gz KGSDOMGMCWDFJR-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO N#CC1(c2ccnc(-c3ccc(C[NH+]4CCCCC4)cc3)c2)CC1 ZINC001241388614 1057034347 /nfs/dbraw/zinc/03/43/47/1057034347.db2.gz GMYPJNUKECRMGB-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093361634 1057037090 /nfs/dbraw/zinc/03/70/90/1057037090.db2.gz JVKZZCNAGNJAFD-FQEVSTJZSA-N 1 0 318.424 4.035 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cc1C#N ZINC000124961297 1057053241 /nfs/dbraw/zinc/05/32/41/1057053241.db2.gz CBGQTUOYWBJPDK-HNNXBMFYSA-N 1 0 324.424 4.205 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC001168734397 1057056925 /nfs/dbraw/zinc/05/69/25/1057056925.db2.gz VXSULDNMELCFRZ-CQSZACIVSA-N 1 0 307.409 4.077 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC001168734396 1057057411 /nfs/dbraw/zinc/05/74/11/1057057411.db2.gz VXSULDNMELCFRZ-AWEZNQCLSA-N 1 0 307.409 4.077 20 30 DIEDRO COc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)c(CC#N)c1 ZINC001241505021 1057074880 /nfs/dbraw/zinc/07/48/80/1057074880.db2.gz LEEMYOLTOHWFNL-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO Cc1cc(C2=CC[N@H+](Cc3ccccc3)CC2)ccc1CC#N ZINC001241505017 1057076048 /nfs/dbraw/zinc/07/60/48/1057076048.db2.gz KYZLGAIZZGFJHT-UHFFFAOYSA-N 1 0 302.421 4.350 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CCC2)cc1 ZINC000922888654 1057089759 /nfs/dbraw/zinc/08/97/59/1057089759.db2.gz MRVUCAKHKQITAL-FQEVSTJZSA-N 1 0 324.399 4.337 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)C2CCC2)cc1 ZINC000922890450 1057094612 /nfs/dbraw/zinc/09/46/12/1057094612.db2.gz GJLUJTCSTUNEQF-HXUWFJFHSA-N 1 0 306.409 4.198 20 30 DIEDRO C=CCn1ccc2c1ncnc2-c1ccc(C[NH+](CC)CC)cc1 ZINC001241573274 1057094930 /nfs/dbraw/zinc/09/49/30/1057094930.db2.gz IEIPTBLLYYJBFX-UHFFFAOYSA-N 1 0 320.440 4.126 20 30 DIEDRO C=CCOc1ccc(-c2ccc(C[NH+](CC)CC)cc2)nc1C#N ZINC001241577922 1057095457 /nfs/dbraw/zinc/09/54/57/1057095457.db2.gz FKNVQZORADZWTL-UHFFFAOYSA-N 1 0 321.424 4.027 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc3ncnc(C#N)c3c2)cc1 ZINC001241583531 1057097799 /nfs/dbraw/zinc/09/77/99/1057097799.db2.gz SCMFSTUICCNSCR-UHFFFAOYSA-N 1 0 316.408 4.010 20 30 DIEDRO C=CCCCCCCCC(=O)N[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001273089467 1057101697 /nfs/dbraw/zinc/10/16/97/1057101697.db2.gz PYPHQVDTQMHQSQ-MOPGFXCFSA-N 1 0 306.494 4.084 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000766017400 1057106796 /nfs/dbraw/zinc/10/67/96/1057106796.db2.gz BICLMSPZKNWMJH-WMLDXEAASA-N 1 0 311.385 4.266 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000766019259 1057113776 /nfs/dbraw/zinc/11/37/76/1057113776.db2.gz LFCNEFDSOXXGRD-QZTJIDSGSA-N 1 0 311.385 4.348 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1ccncc1 ZINC000766019335 1057117324 /nfs/dbraw/zinc/11/73/24/1057117324.db2.gz LPHUKQRTTHIOLD-BDJLRTHQSA-N 1 0 306.331 4.467 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1)c1ccncc1 ZINC000766022007 1057122501 /nfs/dbraw/zinc/12/25/01/1057122501.db2.gz VSXUAFQAPIGZCF-FTRWYGJKSA-N 1 0 310.441 4.489 20 30 DIEDRO C[C@@H]1c2ccsc2CCN1Cc1ccc(C#N)cc1Cl ZINC000162893259 1057153614 /nfs/dbraw/zinc/15/36/14/1057153614.db2.gz GIHLSWDECKXMFG-LLVKDONJSA-N 1 0 302.830 4.392 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1nc(-c2ccncc2)cs1 ZINC000347844881 1057157640 /nfs/dbraw/zinc/15/76/40/1057157640.db2.gz XVJNJTGXYFUHLF-ZDUSSCGKSA-N 1 0 314.458 4.186 20 30 DIEDRO ON=Cc1ccccc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241760323 1057159405 /nfs/dbraw/zinc/15/94/05/1057159405.db2.gz CXDZQYOIPDZBQC-UHFFFAOYSA-N 1 0 324.424 4.026 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)c2ccncc2)cc1Cl ZINC000674069203 1057198368 /nfs/dbraw/zinc/19/83/68/1057198368.db2.gz CPIFDFIRRSGICJ-CQSZACIVSA-N 1 0 316.832 4.193 20 30 DIEDRO C=C(C)CCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001128771625 1057265294 /nfs/dbraw/zinc/26/52/94/1057265294.db2.gz MQBVLCAHLYDKPX-QGZVFWFLSA-N 1 0 322.880 4.195 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](SC)C2)cc1 ZINC000766062034 1057268273 /nfs/dbraw/zinc/26/82/73/1057268273.db2.gz UCGQIJIGUBMQDI-LESCRADOSA-N 1 0 303.471 4.023 20 30 DIEDRO N#Cc1c[nH]c2cc(-c3cccc(C[NH+]4CCCC4)c3)ccc12 ZINC001242122966 1057269841 /nfs/dbraw/zinc/26/98/41/1057269841.db2.gz SJOMTDAQOXBJJK-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)c(O)c2)cc1 ZINC001242176991 1057287839 /nfs/dbraw/zinc/28/78/39/1057287839.db2.gz RLBZIUSJLRDQAW-SFHVURJKSA-N 1 0 309.409 4.391 20 30 DIEDRO C=C(C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000674877820 1057294628 /nfs/dbraw/zinc/29/46/28/1057294628.db2.gz AFCMNPVTIRRNRD-NQIIRXRSSA-N 1 0 306.453 4.125 20 30 DIEDRO N#Cc1cncc(-c2cccc3c2C[N@H+](Cc2ccccc2)C3)c1 ZINC001242272508 1057315873 /nfs/dbraw/zinc/31/58/73/1057315873.db2.gz FVHMNZLNTPFQEH-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C)c(-c2cccc(OC)c2C#N)c1 ZINC001242299739 1057325849 /nfs/dbraw/zinc/32/58/49/1057325849.db2.gz WFKKTSLNOBHPNM-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO CC1(C)CC(=O)C=C(c2ccc3c(c2)CCC32CC[NH2+]CC2)C1 ZINC001242315429 1057331760 /nfs/dbraw/zinc/33/17/60/1057331760.db2.gz FYOPPHRZJOKBAD-UHFFFAOYSA-N 1 0 309.453 4.027 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(C#N)c(C)c2)cc1 ZINC001242357211 1057343548 /nfs/dbraw/zinc/34/35/48/1057343548.db2.gz LACVNDPPQRWOBE-FQEVSTJZSA-N 1 0 303.409 4.252 20 30 DIEDRO CC1(C)CCC[N@H+](Cn2ccc(=S)c3ccccc32)[C@H]1C#N ZINC000766112427 1057347385 /nfs/dbraw/zinc/34/73/85/1057347385.db2.gz POWMEYRJBQDIGC-KRWDZBQOSA-N 1 0 311.454 4.342 20 30 DIEDRO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1 ZINC000174059196 1057349561 /nfs/dbraw/zinc/34/95/61/1057349561.db2.gz QVYSMPQDAQLGMQ-ZDUSSCGKSA-N 1 0 313.470 4.206 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000174243859 1057354056 /nfs/dbraw/zinc/35/40/56/1057354056.db2.gz QVPFYCILUPWUAJ-FQEVSTJZSA-N 1 0 302.377 4.225 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(OC(F)F)cc1 ZINC000174265470 1057355027 /nfs/dbraw/zinc/35/50/27/1057355027.db2.gz GTSFOKGSHFCCCW-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO CC(C)Oc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174281749 1057356173 /nfs/dbraw/zinc/35/61/73/1057356173.db2.gz KOOCXLIXPAWYFF-HNNXBMFYSA-N 1 0 312.413 4.049 20 30 DIEDRO Cc1cccc(-c2cccc(C[NH2+]Cc3ccc(C#N)o3)c2)c1 ZINC000174337243 1057359008 /nfs/dbraw/zinc/35/90/08/1057359008.db2.gz IAOVYNMPGXENKM-UHFFFAOYSA-N 1 0 302.377 4.417 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)o1 ZINC000174404774 1057360601 /nfs/dbraw/zinc/36/06/01/1057360601.db2.gz ITRLMZDNCQLBIH-KRWDZBQOSA-N 1 0 308.406 4.286 20 30 DIEDRO CC(C)COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000174430694 1057361377 /nfs/dbraw/zinc/36/13/77/1057361377.db2.gz PTRNNMBUXCKCHL-INIZCTEOSA-N 1 0 308.425 4.444 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000174431429 1057361825 /nfs/dbraw/zinc/36/18/25/1057361825.db2.gz SGCCCVBEALDJMD-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(OC)ncc2OC)cc1 ZINC001242429914 1057365427 /nfs/dbraw/zinc/36/54/27/1057365427.db2.gz XXXBQSAZTZUTOQ-SFHVURJKSA-N 1 0 324.424 4.089 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246338366 1057366202 /nfs/dbraw/zinc/36/62/02/1057366202.db2.gz FAAJPJOLYVOKGC-GLJUWKHASA-N 1 0 312.438 4.143 20 30 DIEDRO Cc1cc(C#N)ccc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC001242472564 1057376456 /nfs/dbraw/zinc/37/64/56/1057376456.db2.gz CSTQNIJTVJGXLZ-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO Cc1cc(C#N)cc(-c2ccc(SC3CC[NH2+]CC3)cc2)c1 ZINC001242480800 1057378966 /nfs/dbraw/zinc/37/89/66/1057378966.db2.gz RRBAQHYGWDBWCE-UHFFFAOYSA-N 1 0 308.450 4.378 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(O)c(C#N)c2)cc1 ZINC001242565724 1057406528 /nfs/dbraw/zinc/40/65/28/1057406528.db2.gz AXSKZDQBBLDFAO-LJQANCHMSA-N 1 0 304.393 4.254 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)c1 ZINC001242567044 1057407793 /nfs/dbraw/zinc/40/77/93/1057407793.db2.gz IMHRKSBNBVCYMC-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1c1ccc(-c2cc(Cl)cc(C#N)c2)nc1 ZINC001242569040 1057408614 /nfs/dbraw/zinc/40/86/14/1057408614.db2.gz IDLYGDALIVOWRB-SFHVURJKSA-N 1 0 311.816 4.430 20 30 DIEDRO C[NH+](C)CCc1c[nH]c2ccc(-c3cc(Cl)cc(C#N)c3)cc12 ZINC001242571260 1057409389 /nfs/dbraw/zinc/40/93/89/1057409389.db2.gz HWGDAWVJLFNMSG-UHFFFAOYSA-N 1 0 323.827 4.464 20 30 DIEDRO C=C(C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000675784506 1057414470 /nfs/dbraw/zinc/41/44/70/1057414470.db2.gz YJXJSTKAFIYTKE-GOSISDBHSA-N 1 0 322.452 4.324 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000675933526 1057434889 /nfs/dbraw/zinc/43/48/89/1057434889.db2.gz FXGCQEPANDGRSY-DOMZBBRYSA-N 1 0 314.454 4.360 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cncc(OCC)c2)cc1 ZINC001242660096 1057438168 /nfs/dbraw/zinc/43/81/68/1057438168.db2.gz GQJVVEDSVHPCAX-FQEVSTJZSA-N 1 0 308.425 4.470 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000676017380 1057443679 /nfs/dbraw/zinc/44/36/79/1057443679.db2.gz BHHBPYOHZONGOK-VMRPVKRXSA-N 1 0 324.468 4.425 20 30 DIEDRO N#Cc1cc(C(F)(F)F)cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC001242688430 1057446912 /nfs/dbraw/zinc/44/69/12/1057446912.db2.gz PAEQEMWXZSHCAF-OAHLLOKOSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1cc2ccccc2nc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242688407 1057446925 /nfs/dbraw/zinc/44/69/25/1057446925.db2.gz ONQVPHIRUMHXSV-GOSISDBHSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1c2ccccc2cnc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242688929 1057447668 /nfs/dbraw/zinc/44/76/68/1057447668.db2.gz NIWPISSHSRQXMP-QGZVFWFLSA-N 1 0 303.409 4.138 20 30 DIEDRO N#CCc1c[nH]c2cccc(C3=CC[C@H]([NH+]4CCCC4)CC3)c12 ZINC001242693143 1057449427 /nfs/dbraw/zinc/44/94/27/1057449427.db2.gz JKRVAPDBLRSLDD-KRWDZBQOSA-N 1 0 305.425 4.266 20 30 DIEDRO N#Cc1nccc2cc(C3=CC[C@H]([NH+]4CCCC4)CC3)ccc21 ZINC001242694243 1057450088 /nfs/dbraw/zinc/45/00/88/1057450088.db2.gz OMPDQQKCHVZBIK-SFHVURJKSA-N 1 0 303.409 4.138 20 30 DIEDRO CCCCCCCCC[C@H](C)CC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001129184362 1057451786 /nfs/dbraw/zinc/45/17/86/1057451786.db2.gz AJKZAOHMDBMTFT-OTWHNJEPSA-N 1 0 322.537 4.316 20 30 DIEDRO N#Cc1ccccc1-c1ccc(CO[C@H]2CCCC[C@@H]2[NH3+])c(F)c1 ZINC001242717455 1057457492 /nfs/dbraw/zinc/45/74/92/1057457492.db2.gz YRODWGGTHGHYPL-PMACEKPBSA-N 1 0 324.399 4.151 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(C2=CC(=O)C[C@H](C)C2)nc1 ZINC001242739500 1057464483 /nfs/dbraw/zinc/46/44/83/1057464483.db2.gz DNRDGLNGEFWWOX-QRWLVFNGSA-N 1 0 312.457 4.401 20 30 DIEDRO C[C@@H]1CC(=O)C=C(c2ccc3[nH]cc(C[C@H]4CCC[N@@H+]4C)c3c2)C1 ZINC001242744911 1057465252 /nfs/dbraw/zinc/46/52/52/1057465252.db2.gz IRNBVKJZCZELPW-KBXCAEBGSA-N 1 0 322.452 4.187 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)c(C)c2)nc1 ZINC001242767433 1057468732 /nfs/dbraw/zinc/46/87/32/1057468732.db2.gz VWHUWUGSLYBEBQ-HXUWFJFHSA-N 1 0 305.425 4.476 20 30 DIEDRO Cc1cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)ccc1C#N ZINC001242768291 1057468865 /nfs/dbraw/zinc/46/88/65/1057468865.db2.gz OJICBXOHMDXUMI-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO N#CC1(c2ccccc2-c2ccccc2OC2CC2)CC[NH2+]CC1 ZINC001242795013 1057478017 /nfs/dbraw/zinc/47/80/17/1057478017.db2.gz RTFFWTNMVLKWLM-UHFFFAOYSA-N 1 0 318.420 4.040 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1nc(C)sc1C)C(C)C ZINC000676488112 1057478189 /nfs/dbraw/zinc/47/81/89/1057478189.db2.gz BXOKTVFBZVDEQS-WMLDXEAASA-N 1 0 321.534 4.109 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1OC ZINC000073052583 1057506733 /nfs/dbraw/zinc/50/67/33/1057506733.db2.gz MIXQCCDIHUPAIO-GOSISDBHSA-N 1 0 309.409 4.037 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cc(Cl)cc2c1OCC2 ZINC000922987229 1057520135 /nfs/dbraw/zinc/52/01/35/1057520135.db2.gz RCKIUDOQYXWREW-JTQLQIEISA-N 1 0 318.829 4.059 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)nc2C)cc1 ZINC001242929775 1057520959 /nfs/dbraw/zinc/52/09/59/1057520959.db2.gz NGNXSGNWQGHVDY-IBGZPJMESA-N 1 0 308.425 4.389 20 30 DIEDRO C=CCC1([NH2+]CCC(=O)Nc2ccccc2C)CCCCC1 ZINC000625935143 1057539565 /nfs/dbraw/zinc/53/95/65/1057539565.db2.gz OJOUVYVTVHJYKT-UHFFFAOYSA-N 1 0 300.446 4.192 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccccc2CC)CCCCC1 ZINC000625937803 1057539622 /nfs/dbraw/zinc/53/96/22/1057539622.db2.gz VVLJAIFNDYHFSL-UHFFFAOYSA-N 1 0 300.446 4.056 20 30 DIEDRO C[NH2+]Cc1cccc(-c2nc(-c3cccs3)ccc2C#N)c1 ZINC001242996916 1057540118 /nfs/dbraw/zinc/54/01/18/1057540118.db2.gz XTBBPXRBMIIXPO-UHFFFAOYSA-N 1 0 305.406 4.068 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cccc(CO)c2F)cc1 ZINC001243145562 1057585744 /nfs/dbraw/zinc/58/57/44/1057585744.db2.gz ZEQPDRSVTNSWFT-LJQANCHMSA-N 1 0 311.400 4.308 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)s1 ZINC000611259289 1057587210 /nfs/dbraw/zinc/58/72/10/1057587210.db2.gz XFUUVKHHYHOWGS-HNNXBMFYSA-N 1 0 321.449 4.481 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)C[C@H]1CCOc2ccccc21 ZINC000611268801 1057587359 /nfs/dbraw/zinc/58/73/59/1057587359.db2.gz DKRITHVZIXCTKB-QGZVFWFLSA-N 1 0 300.446 4.205 20 30 DIEDRO CC[N@H+](Cc1[nH]nc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256402 1057587430 /nfs/dbraw/zinc/58/74/30/1057587430.db2.gz HCFQWVCEDUDHQO-AWEZNQCLSA-N 1 0 304.397 4.018 20 30 DIEDRO CC[N@H+](Cc1[nH]nc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000611256403 1057587850 /nfs/dbraw/zinc/58/78/50/1057587850.db2.gz HCFQWVCEDUDHQO-CQSZACIVSA-N 1 0 304.397 4.018 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000611393313 1057594973 /nfs/dbraw/zinc/59/49/73/1057594973.db2.gz BUBHOUYUQYVTOC-LEWJYISDSA-N 1 0 319.452 4.360 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Oc1ccccc1F ZINC000611393472 1057595135 /nfs/dbraw/zinc/59/51/35/1057595135.db2.gz UPNCGYIAIGVQQA-KUHUBIRLSA-N 1 0 324.399 4.132 20 30 DIEDRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393045 1057595220 /nfs/dbraw/zinc/59/52/20/1057595220.db2.gz FCJUFVZPPYEHPM-JZXOWHBKSA-N 1 0 300.471 4.199 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Oc1ccccc1F ZINC000611393471 1057595368 /nfs/dbraw/zinc/59/53/68/1057595368.db2.gz UPNCGYIAIGVQQA-IFXJQAMLSA-N 1 0 324.399 4.132 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC000611377318 1057595383 /nfs/dbraw/zinc/59/53/83/1057595383.db2.gz KWWLHJONUOPDPY-MRXNPFEDSA-N 1 0 324.424 4.077 20 30 DIEDRO C[C@@H](COc1cccc(F)c1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390760 1057595584 /nfs/dbraw/zinc/59/55/84/1057595584.db2.gz AWVSXRAMGRHWEF-XOBRGWDASA-N 1 0 324.399 4.132 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000611392834 1057595722 /nfs/dbraw/zinc/59/57/22/1057595722.db2.gz OTNLYJLUZCRPGK-FXAWDEMLSA-N 1 0 318.420 4.092 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000611395481 1057596296 /nfs/dbraw/zinc/59/62/96/1057596296.db2.gz DEMRTARPNGDOOH-IBGZPJMESA-N 1 0 306.409 4.198 20 30 DIEDRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611395091 1057596516 /nfs/dbraw/zinc/59/65/16/1057596516.db2.gz LGHWDWNSCPYXNM-VBKZILBWSA-N 1 0 305.425 4.244 20 30 DIEDRO COc1ccc(C)cc1CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390401 1057597220 /nfs/dbraw/zinc/59/72/20/1057597220.db2.gz XOHIOWHKQIWXRU-FQEVSTJZSA-N 1 0 320.436 4.085 20 30 DIEDRO CCOc1cccc(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394699 1057597480 /nfs/dbraw/zinc/59/74/80/1057597480.db2.gz XFYBJFNDCVKWGN-NRFANRHFSA-N 1 0 320.436 4.167 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(c2ccccc2)CC1 ZINC000611391003 1057598220 /nfs/dbraw/zinc/59/82/20/1057598220.db2.gz ZIPHSVXSUUIBNO-FQEVSTJZSA-N 1 0 302.421 4.257 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000611438542 1057600268 /nfs/dbraw/zinc/60/02/68/1057600268.db2.gz SPIWZACHRRYUQX-CYBMUJFWSA-N 1 0 318.342 4.470 20 30 DIEDRO C[N@H+](CCC(C)(C)C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611462488 1057600297 /nfs/dbraw/zinc/60/02/97/1057600297.db2.gz HSAZLPYAHJXJJI-QZTJIDSGSA-N 1 0 300.446 4.026 20 30 DIEDRO COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611438225 1057600389 /nfs/dbraw/zinc/60/03/89/1057600389.db2.gz MYLYOEHGUFDNBM-OAHLLOKOSA-N 1 0 308.425 4.195 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1Cl ZINC000611438690 1057600429 /nfs/dbraw/zinc/60/04/29/1057600429.db2.gz HACSIXWHWXHEOZ-ACJLOTCBSA-N 1 0 314.816 4.250 20 30 DIEDRO C[N@H+](CCC(C)(C)C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611462490 1057600535 /nfs/dbraw/zinc/60/05/35/1057600535.db2.gz HSAZLPYAHJXJJI-ZWKOTPCHSA-N 1 0 300.446 4.026 20 30 DIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000611442973 1057600658 /nfs/dbraw/zinc/60/06/58/1057600658.db2.gz CFOHVDXLKWNVHG-UHFFFAOYSA-N 1 0 316.445 4.061 20 30 DIEDRO C[C@@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000611477048 1057603010 /nfs/dbraw/zinc/60/30/10/1057603010.db2.gz SBSMDHFXLNHMHE-QGZVFWFLSA-N 1 0 320.436 4.348 20 30 DIEDRO COCC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000611521845 1057605108 /nfs/dbraw/zinc/60/51/08/1057605108.db2.gz CSIACZZQNIFRLC-RTBURBONSA-N 1 0 324.424 4.205 20 30 DIEDRO CCCC[N@@H+]1Cc2cccc(N=Cc3c(O)cccc3OC)c2C1 ZINC000727265604 1057645407 /nfs/dbraw/zinc/64/54/07/1057645407.db2.gz VKRYJLYUDJEZLG-UHFFFAOYSA-N 1 0 324.424 4.267 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(OCCC#N)cc1 ZINC001243336659 1057650500 /nfs/dbraw/zinc/65/05/00/1057650500.db2.gz RJADUNRNWTXWOF-UHFFFAOYSA-N 1 0 308.425 4.488 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(/C=N/O)c(F)c1 ZINC001243335222 1057650672 /nfs/dbraw/zinc/65/06/72/1057650672.db2.gz DNDFLRMTZACYST-UDWIEESQSA-N 1 0 300.377 4.143 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(C(C)(C)C#N)nc1 ZINC001243338074 1057651124 /nfs/dbraw/zinc/65/11/24/1057651124.db2.gz SCOMPPKZTRQZKS-UHFFFAOYSA-N 1 0 307.441 4.392 20 30 DIEDRO C[C@@H](C[N@H+](C)CCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000727437200 1057652805 /nfs/dbraw/zinc/65/28/05/1057652805.db2.gz GRIGXGNZFSJBSU-KRWDZBQOSA-N 1 0 308.425 4.063 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)Cc2ccco2)cc1Cl ZINC000727465978 1057654796 /nfs/dbraw/zinc/65/47/96/1057654796.db2.gz WUFZZBMZUPFCLM-CYBMUJFWSA-N 1 0 305.805 4.219 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C3(C#N)CC3)cc2)nc1 ZINC001243420483 1057678384 /nfs/dbraw/zinc/67/83/84/1057678384.db2.gz LNARPLKDZUYPPQ-HXUWFJFHSA-N 1 0 317.436 4.461 20 30 DIEDRO N#CC1(c2ccc(-c3ccc(OC4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001243422495 1057678922 /nfs/dbraw/zinc/67/89/22/1057678922.db2.gz ATIPDZTVTBYIDK-UHFFFAOYSA-N 1 0 318.420 4.040 20 30 DIEDRO C[N@@H+]1CC[C@H](c2ccc(-c3ccc(C4(C#N)CC4)cc3)cc2)C1 ZINC001243424991 1057680229 /nfs/dbraw/zinc/68/02/29/1057680229.db2.gz ZNQKADCGGAMLIE-IBGZPJMESA-N 1 0 302.421 4.328 20 30 DIEDRO C[N@@H+]1CCc2c(F)cc(-c3ccc(C4(C#N)CC4)cc3)cc2C1 ZINC001243424786 1057680319 /nfs/dbraw/zinc/68/03/19/1057680319.db2.gz WSMKHIOBQBDMDX-UHFFFAOYSA-N 1 0 306.384 4.036 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC2(C1)CC[N@H+](C)C2 ZINC001273232663 1057720420 /nfs/dbraw/zinc/72/04/20/1057720420.db2.gz CCOPVDOJKDOKNL-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccccc2OCC#N)nc1 ZINC001243585959 1057724812 /nfs/dbraw/zinc/72/48/12/1057724812.db2.gz QTJOLNIQXVSHTN-IBGZPJMESA-N 1 0 321.424 4.198 20 30 DIEDRO CC[NH+]1CCC(c2ccc(-c3ccc(OCC#N)cc3)cc2)CC1 ZINC001243594284 1057727428 /nfs/dbraw/zinc/72/74/28/1057727428.db2.gz DTBZCWZPASYWDL-UHFFFAOYSA-N 1 0 320.436 4.455 20 30 DIEDRO C=C1CC[NH+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000731033228 1057733411 /nfs/dbraw/zinc/73/34/11/1057733411.db2.gz XZEFJWUSHUTSOT-UHFFFAOYSA-N 1 0 311.425 4.377 20 30 DIEDRO N#CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000731214402 1057737833 /nfs/dbraw/zinc/73/78/33/1057737833.db2.gz LHPFTEMMDWXQCR-UHFFFAOYSA-N 1 0 324.399 4.287 20 30 DIEDRO COc1ccc(-c2ccccc2C[NH+]2CCCCC2)c(C#N)c1 ZINC001243731757 1057765279 /nfs/dbraw/zinc/76/52/79/1057765279.db2.gz JCPATLMYSJDNHC-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000732159394 1057768746 /nfs/dbraw/zinc/76/87/46/1057768746.db2.gz HOSLYIRMBKHIMD-GOSISDBHSA-N 1 0 308.510 4.070 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000732232633 1057771264 /nfs/dbraw/zinc/77/12/64/1057771264.db2.gz NPXYIFCMMAWDFS-BXTJHSDWSA-N 1 0 306.409 4.001 20 30 DIEDRO N#Cc1cc(F)c(NCCCCCCC[NH+]2CCCC2)c(F)c1 ZINC000732567172 1057779638 /nfs/dbraw/zinc/77/96/38/1057779638.db2.gz CJERZQKFRSMOPF-UHFFFAOYSA-N 1 0 321.415 4.295 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1C1=CC[C@@H](C#N)CC1 ZINC001243796260 1057781315 /nfs/dbraw/zinc/78/13/15/1057781315.db2.gz SRWDRWYNFXKVPD-MRXNPFEDSA-N 1 0 310.441 4.388 20 30 DIEDRO N#C[C@@H]1CC=C(c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)CC1 ZINC001243795363 1057781582 /nfs/dbraw/zinc/78/15/82/1057781582.db2.gz SQSBFFNRLSZSNK-XIEZEKGWSA-N 1 0 318.424 4.083 20 30 DIEDRO C=CC[N@@H+](C[C@H](O)c1cc(F)ccc1F)CC1CCCCC1 ZINC000732667270 1057782644 /nfs/dbraw/zinc/78/26/44/1057782644.db2.gz NASBPZMXIGDGJA-SFHVURJKSA-N 1 0 309.400 4.067 20 30 DIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000732983985 1057795702 /nfs/dbraw/zinc/79/57/02/1057795702.db2.gz OASLQIMHRKWWRQ-FQEVSTJZSA-N 1 0 308.425 4.418 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000733323176 1057812192 /nfs/dbraw/zinc/81/21/92/1057812192.db2.gz MKHBRHVSNYZMMD-UHFFFAOYSA-N 1 0 313.828 4.074 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000733327244 1057813711 /nfs/dbraw/zinc/81/37/11/1057813711.db2.gz QKOZMBMLHFIHLK-OAQYLSRUSA-N 1 0 323.411 4.469 20 30 DIEDRO N#CC1(c2cccc(-c3ccc(OC4CC[NH2+]CC4)cc3)c2)CC1 ZINC001244071863 1057857889 /nfs/dbraw/zinc/85/78/89/1057857889.db2.gz LCAIOPSBAVYXDC-UHFFFAOYSA-N 1 0 318.420 4.040 20 30 DIEDRO CC(C)c1ccc(N)c(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001244228271 1057903750 /nfs/dbraw/zinc/90/37/50/1057903750.db2.gz GIHCKSIPYUVBAT-UHFFFAOYSA-N 1 0 319.452 4.204 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)cc2Cl)nc1 ZINC001244327791 1057934176 /nfs/dbraw/zinc/93/41/76/1057934176.db2.gz OEOILCHJPHTSSK-GOSISDBHSA-N 1 0 311.816 4.430 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C)c(C#N)c2)nc1 ZINC001244482432 1057972159 /nfs/dbraw/zinc/97/21/59/1057972159.db2.gz MIPDDZZAKWKTDW-HXUWFJFHSA-N 1 0 305.425 4.476 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cc(C#N)ccc2F)nc1 ZINC001244558309 1057995617 /nfs/dbraw/zinc/99/56/17/1057995617.db2.gz NXZRZGQXKJZNNT-CQSZACIVSA-N 1 0 309.388 4.134 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cccc(F)c2CO)cc1 ZINC001244563735 1057996202 /nfs/dbraw/zinc/99/62/02/1057996202.db2.gz UYMQFPFXHNSHOX-HXUWFJFHSA-N 1 0 311.400 4.308 20 30 DIEDRO CC[NH+](CC)Cc1cc(C)ccc1-c1ccc(OC)c(C#N)c1 ZINC001244710613 1058032840 /nfs/dbraw/zinc/03/28/40/1058032840.db2.gz KBAVYMBCRZISQX-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cccc(C#N)c2C)nc1 ZINC001244815025 1058051744 /nfs/dbraw/zinc/05/17/44/1058051744.db2.gz FGRQZDMNBNVWRQ-FQEVSTJZSA-N 1 0 305.425 4.476 20 30 DIEDRO C[NH2+]Cc1cccc(-c2nc(-c3ccccc3)ccc2C#N)c1F ZINC001244856300 1058058946 /nfs/dbraw/zinc/05/89/46/1058058946.db2.gz KDQNSZVRSDGBAK-UHFFFAOYSA-N 1 0 317.367 4.146 20 30 DIEDRO C[NH2+]Cc1cccc(-c2ccc(C(F)(F)F)cc2CC#N)c1F ZINC001244864178 1058060302 /nfs/dbraw/zinc/06/03/02/1058060302.db2.gz ZTMOGIWSDSRWBK-UHFFFAOYSA-N 1 0 322.305 4.297 20 30 DIEDRO CCc1cc(-c2cnccc2C[NH+]2CCCCC2)ccc1C#N ZINC001244954852 1058080378 /nfs/dbraw/zinc/08/03/78/1058080378.db2.gz VVIBTURNYXKXPH-UHFFFAOYSA-N 1 0 305.425 4.169 20 30 DIEDRO Cc1c(Cl)cccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001244964047 1058081982 /nfs/dbraw/zinc/08/19/82/1058081982.db2.gz ARINAMCOGPRGID-UHFFFAOYSA-N 1 0 310.828 4.460 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cccc(C#N)c2F)nc1 ZINC001245069443 1058106438 /nfs/dbraw/zinc/10/64/38/1058106438.db2.gz RABIWFNCNYZKFM-SFHVURJKSA-N 1 0 309.388 4.306 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cccc(C#N)c2F)c1 ZINC001245072767 1058107036 /nfs/dbraw/zinc/10/70/36/1058107036.db2.gz RPOCRLWAOQUVOV-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC(C)C)nc2)cc1 ZINC001245264943 1058136674 /nfs/dbraw/zinc/13/66/74/1058136674.db2.gz RZVPZEZAAWPABX-LJQANCHMSA-N 1 0 323.440 4.254 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2ccc3c(C#N)c[nH]c3c2)cc1 ZINC001245338094 1058146317 /nfs/dbraw/zinc/14/63/17/1058146317.db2.gz HLMGKGAYLSLLDU-UHFFFAOYSA-N 1 0 319.408 4.037 20 30 DIEDRO N#Cc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)nc1C(F)(F)F ZINC001245345111 1058147955 /nfs/dbraw/zinc/14/79/55/1058147955.db2.gz DQZARGKTEAPHTP-AWEZNQCLSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1cc(C(F)(F)F)cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)n1 ZINC001245345318 1058148541 /nfs/dbraw/zinc/14/85/41/1058148541.db2.gz FDQHJFJVWJOLLC-HNNXBMFYSA-N 1 0 317.314 4.064 20 30 DIEDRO CO/N=C/c1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc(F)c1F ZINC001245353511 1058150608 /nfs/dbraw/zinc/15/06/08/1058150608.db2.gz BRNJTTPSIYVDAK-ZTBJCTOSSA-N 1 0 316.351 4.037 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001545434673 1058200367 /nfs/dbraw/zinc/20/03/67/1058200367.db2.gz JRTMBFRMHNREOY-GBESFXJTSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001545434674 1058201859 /nfs/dbraw/zinc/20/18/59/1058201859.db2.gz JRTMBFRMHNREOY-IPMKNSEASA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001545471533 1058203210 /nfs/dbraw/zinc/20/32/10/1058203210.db2.gz HCVCAUPSXQRBEU-QRVBRYPASA-N 1 0 322.537 4.364 20 30 DIEDRO Cc1ccc(C#N)c(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)c1 ZINC001245605924 1058282450 /nfs/dbraw/zinc/28/24/50/1058282450.db2.gz MZTRFLULQOCVQE-UHFFFAOYSA-N 1 0 303.409 4.119 20 30 DIEDRO Cc1ccc(C#N)c(-c2cccc3c2C2(CC3)CC[NH2+]CC2)c1 ZINC001245604751 1058283366 /nfs/dbraw/zinc/28/33/66/1058283366.db2.gz KRIUKUXWMJAIJX-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO COc1cc(C)c(-c2ccccc2C2(C#N)CC[NH2+]CC2)c(C)c1 ZINC001245680531 1058343764 /nfs/dbraw/zinc/34/37/64/1058343764.db2.gz ILQDOMLWAFPFBY-UHFFFAOYSA-N 1 0 320.436 4.124 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2ccc(C#C[Si](C)(C)C)cn2)cc1 ZINC001245907752 1058610922 /nfs/dbraw/zinc/61/09/22/1058610922.db2.gz APOKHXWMWWQOFO-UHFFFAOYSA-N 1 0 308.501 4.171 20 30 DIEDRO C=C(C)CCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001529116464 1058612046 /nfs/dbraw/zinc/61/20/46/1058612046.db2.gz CAXYXUJJZYTXQX-UHFFFAOYSA-N 1 0 314.473 4.035 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001520579720 1058642882 /nfs/dbraw/zinc/64/28/82/1058642882.db2.gz IEWXJADFLRNLOY-OKZBNKHCSA-N 1 0 310.526 4.314 20 30 DIEDRO CC(C)[PH+](CCNC(=S)Nc1ccc(C#N)cc1)C(C)C ZINC001245955488 1058648496 /nfs/dbraw/zinc/64/84/96/1058648496.db2.gz HGPZOFVNXLMUDH-UHFFFAOYSA-N 1 0 321.430 4.143 20 30 DIEDRO CCCCCCCCCC[C@H](O)CNc1ccccc1C[NH3+] ZINC001245966974 1058652853 /nfs/dbraw/zinc/65/28/53/1058652853.db2.gz PVYMXFVSHBDWQS-SFHVURJKSA-N 1 0 306.494 4.449 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCNc2ccccc21 ZINC001246002301 1058656517 /nfs/dbraw/zinc/65/65/17/1058656517.db2.gz NZDGKROFHIXYBI-VQIMIIECSA-N 1 0 304.478 4.244 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CCc1cccc(N)c1 ZINC001246019987 1058656942 /nfs/dbraw/zinc/65/69/42/1058656942.db2.gz QOJBTRQICMLLQS-HXUWFJFHSA-N 1 0 320.521 4.293 20 30 DIEDRO CCCCCCCCCCC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001521038252 1058735737 /nfs/dbraw/zinc/73/57/37/1058735737.db2.gz LIECDVGYODJALJ-QZTJIDSGSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCCCC[NH2+][C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246212320 1058743815 /nfs/dbraw/zinc/74/38/15/1058743815.db2.gz NOEMZBOTMLALBW-GJZGRUSLSA-N 1 0 308.432 4.400 20 30 DIEDRO CCCCCCCCCCCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246208505 1058745339 /nfs/dbraw/zinc/74/53/39/1058745339.db2.gz IQVMBSYVTJEPEQ-YQQQUEKLSA-N 1 0 310.526 4.016 20 30 DIEDRO CCCCCCCCCCCC[C@H](C)[NH2+]C[C@@H](N)COC ZINC001246242175 1058766079 /nfs/dbraw/zinc/76/60/79/1058766079.db2.gz XOAPRRNRGOXMQJ-ZWKOTPCHSA-N 1 0 300.531 4.249 20 30 DIEDRO CCCCCCCCC(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001557679857 1058785212 /nfs/dbraw/zinc/78/52/12/1058785212.db2.gz WSRMCGCQRNPAPR-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCCC(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001557679859 1058785351 /nfs/dbraw/zinc/78/53/51/1058785351.db2.gz WSRMCGCQRNPAPR-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)NC(C)C ZINC001278442348 1058815352 /nfs/dbraw/zinc/81/53/52/1058815352.db2.gz RWJSUERFBJDYCU-ROUUACIJSA-N 1 0 323.525 4.004 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCN[C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312186 1058819378 /nfs/dbraw/zinc/81/93/78/1058819378.db2.gz BEHDSCWVNSEPTI-HBMCJLEFSA-N 1 0 319.452 4.092 20 30 DIEDRO C=CC1(CC(=O)N(C)CCCC[NH+]2CCCCC2)CCCCC1 ZINC001558111576 1058840021 /nfs/dbraw/zinc/84/00/21/1058840021.db2.gz KQYIICQZFYTWOI-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO C=CCC1(C(=O)NCCC[NH+](C(C)C)C(C)C)CCCCC1 ZINC001558944682 1058926231 /nfs/dbraw/zinc/92/62/31/1058926231.db2.gz HKUHYIISJZNRKT-UHFFFAOYSA-N 1 0 308.510 4.138 20 30 DIEDRO N#Cc1ccc(F)cc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001559056812 1058955746 /nfs/dbraw/zinc/95/57/46/1058955746.db2.gz ZLTQQZCJQANGMB-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO CC(C)[C@@H](CNc1cc(F)ccc1C#N)[NH+]1CCCCCC1 ZINC001559062216 1058957972 /nfs/dbraw/zinc/95/79/72/1058957972.db2.gz PMTUFNPKIQUGMM-GOSISDBHSA-N 1 0 303.425 4.010 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC001559064544 1058960632 /nfs/dbraw/zinc/96/06/32/1058960632.db2.gz SKVBEIFAOGORJP-GOSISDBHSA-N 1 0 317.433 4.014 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNc1cc(C)ccc1[N+](=O)[O-])C(C)C ZINC001559064567 1058962495 /nfs/dbraw/zinc/96/24/95/1058962495.db2.gz TZQUFGDYUMBMRA-SFHVURJKSA-N 1 0 317.433 4.014 20 30 DIEDRO CCCCCCCCCCCC[N@H+](C)[C@H]1CCN[C@H](C#N)C1 ZINC001246861191 1059138241 /nfs/dbraw/zinc/13/82/41/1059138241.db2.gz SWJJGKVWASCMAW-OALUTQOASA-N 1 0 307.526 4.483 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246868649 1059142836 /nfs/dbraw/zinc/14/28/36/1059142836.db2.gz CONIMIAPBPWGMV-HKUYNNGSSA-N 1 0 304.453 4.215 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCN[C@@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922067 1059177308 /nfs/dbraw/zinc/17/73/08/1059177308.db2.gz UXRAVSUBOOUNQG-FUHWJXTLSA-N 1 0 304.453 4.214 20 30 DIEDRO CCCCCCC[C@H](CC)N(Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC001246956813 1059205497 /nfs/dbraw/zinc/20/54/97/1059205497.db2.gz AJIHWKOQKRWHJE-PMACEKPBSA-N 1 0 317.521 4.385 20 30 DIEDRO CCCCCCC[C@@H](CC)N(Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC001246956834 1059206571 /nfs/dbraw/zinc/20/65/71/1059206571.db2.gz AJIHWKOQKRWHJE-WOJBJXKFSA-N 1 0 317.521 4.385 20 30 DIEDRO N#Cc1c(F)cccc1S[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001559419018 1059221894 /nfs/dbraw/zinc/22/18/94/1059221894.db2.gz RMBWFWQNJHUNIX-HNNXBMFYSA-N 1 0 312.413 4.064 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCNC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978593 1059222340 /nfs/dbraw/zinc/22/23/40/1059222340.db2.gz WKKUEOFZLCRNBR-CJNGLKHVSA-N 1 0 312.379 4.006 20 30 DIEDRO C[C@H]1C[C@H](C)C[NH+](CCSc2cccc(C#N)c2Cl)C1 ZINC001559469982 1059248365 /nfs/dbraw/zinc/24/83/65/1059248365.db2.gz GHAXPJWQUVMJRQ-STQMWFEESA-N 1 0 308.878 4.282 20 30 DIEDRO C=C1CCC(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC001523477634 1059252743 /nfs/dbraw/zinc/25/27/43/1059252743.db2.gz CKKUIHWAHRHBCY-UHFFFAOYSA-N 1 0 318.505 4.038 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC(C)(C)OC1(C)C ZINC001559484575 1059258646 /nfs/dbraw/zinc/25/86/46/1059258646.db2.gz ZMVSLGYTVAVTJP-SFHVURJKSA-N 1 0 314.473 4.364 20 30 DIEDRO CCC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc2C1 ZINC001559498122 1059280335 /nfs/dbraw/zinc/28/03/35/1059280335.db2.gz WVGRCFFXFVSCHW-OAQYLSRUSA-N 1 0 304.437 4.328 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(C)c(OC)c1)[C@H]1CCc2ccccc21 ZINC001559499518 1059281715 /nfs/dbraw/zinc/28/17/15/1059281715.db2.gz WILISRQBGGSUHN-FQEVSTJZSA-N 1 0 305.421 4.126 20 30 DIEDRO C#CC[N@@H+](CCCOc1ccccc1C)[C@H]1CCc2ccccc21 ZINC001559499065 1059283038 /nfs/dbraw/zinc/28/30/38/1059283038.db2.gz HMODVLTVECSHNG-NRFANRHFSA-N 1 0 319.448 4.387 20 30 DIEDRO CC[N@@H+](CC#Cc1ccccc1Cl)CCc1cccs1 ZINC001559501415 1059289335 /nfs/dbraw/zinc/28/93/35/1059289335.db2.gz IOZAIKXGOVOPJF-UHFFFAOYSA-N 1 0 303.858 4.318 20 30 DIEDRO CO[C@H](C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)C1CCCC1 ZINC001559505496 1059292619 /nfs/dbraw/zinc/29/26/19/1059292619.db2.gz JTSQRQBBLJEQLW-HXUWFJFHSA-N 1 0 314.473 4.221 20 30 DIEDRO CO[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)C1CCCC1 ZINC001559505494 1059293141 /nfs/dbraw/zinc/29/31/41/1059293141.db2.gz JTSQRQBBLJEQLW-FQEVSTJZSA-N 1 0 314.473 4.221 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1F ZINC001559505247 1059294567 /nfs/dbraw/zinc/29/45/67/1059294567.db2.gz FQQGHUUIFRCLII-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCC2)CO1 ZINC001559506819 1059296293 /nfs/dbraw/zinc/29/62/93/1059296293.db2.gz FCVPNGBMFDCVJA-LJQANCHMSA-N 1 0 312.457 4.118 20 30 DIEDRO CC(C)C[C@H](C)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001559529882 1059332248 /nfs/dbraw/zinc/33/22/48/1059332248.db2.gz DATKKYJZTZMNRP-INIZCTEOSA-N 1 0 300.446 4.084 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC001531541246 1059350961 /nfs/dbraw/zinc/35/09/61/1059350961.db2.gz XVQVERBSQMZVPY-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001559551903 1059362604 /nfs/dbraw/zinc/36/26/04/1059362604.db2.gz PXBLIPHHYMMHMS-GOSISDBHSA-N 1 0 300.446 4.228 20 30 DIEDRO Cc1ccc(C[N@H+](CCOc2ccccc2C#N)C2CC2)cc1C ZINC001559557136 1059367926 /nfs/dbraw/zinc/36/79/26/1059367926.db2.gz RQIPPPIXZGTYND-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO CCC[N@H+](CC1(C#N)CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001559574398 1059406079 /nfs/dbraw/zinc/40/60/79/1059406079.db2.gz YOUZLYMECGBEQG-IAGOWNOFSA-N 1 0 304.478 4.130 20 30 DIEDRO CCCCCCCc1ccc(-c2noc(C3C[NH+](C)C3)n2)cc1 ZINC001247368252 1059409487 /nfs/dbraw/zinc/40/94/87/1059409487.db2.gz CFMKJKQOEHEHML-UHFFFAOYSA-N 1 0 313.445 4.279 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)C1 ZINC001559674998 1059502904 /nfs/dbraw/zinc/50/29/04/1059502904.db2.gz YLROZVXCFBTBNY-IBGZPJMESA-N 1 0 317.473 4.030 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2ccccc2Cl)C2CC2)cc1 ZINC001559674213 1059504141 /nfs/dbraw/zinc/50/41/41/1059504141.db2.gz DVQSLAQQNVFJAC-UHFFFAOYSA-N 1 0 310.828 4.419 20 30 DIEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccn2)cc1 ZINC001559678913 1059507011 /nfs/dbraw/zinc/50/70/11/1059507011.db2.gz FKVQMNZFEHXIQD-CQSZACIVSA-N 1 0 311.454 4.305 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)c1 ZINC001559692277 1059520864 /nfs/dbraw/zinc/52/08/64/1059520864.db2.gz DGDOWDUIDIPWDT-HNNXBMFYSA-N 1 0 313.828 4.441 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC001559696086 1059527727 /nfs/dbraw/zinc/52/77/27/1059527727.db2.gz ONDQUKYIOYUSSN-ZWKOTPCHSA-N 1 0 307.865 4.488 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1Oc1ccccc1 ZINC001559710371 1059538797 /nfs/dbraw/zinc/53/87/97/1059538797.db2.gz HKCHGTGNRNKCEY-IRXDYDNUSA-N 1 0 311.425 4.457 20 30 DIEDRO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC ZINC001559740961 1059575897 /nfs/dbraw/zinc/57/58/97/1059575897.db2.gz UTUFXMLDHQILGD-KRWDZBQOSA-N 1 0 324.509 4.454 20 30 DIEDRO C[N@H+](CC1CCC(C#N)CC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC001559756158 1059590671 /nfs/dbraw/zinc/59/06/71/1059590671.db2.gz RTPPIRATGDYGGD-WIXQSORDSA-N 1 0 324.468 4.287 20 30 DIEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1C#N ZINC001559759511 1059593263 /nfs/dbraw/zinc/59/32/63/1059593263.db2.gz WVQWOUGRHIREGA-FUHWJXTLSA-N 1 0 300.446 4.132 20 30 DIEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001559762396 1059595716 /nfs/dbraw/zinc/59/57/16/1059595716.db2.gz LZCCJUBLZHINIF-SJORKVTESA-N 1 0 307.890 4.345 20 30 DIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001559761447 1059596039 /nfs/dbraw/zinc/59/60/39/1059596039.db2.gz BFLAUWFXGCNFFM-ROUUACIJSA-N 1 0 302.487 4.329 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001559762393 1059597941 /nfs/dbraw/zinc/59/79/41/1059597941.db2.gz LZCCJUBLZHINIF-DLBZAZTESA-N 1 0 307.890 4.345 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC001559767133 1059604045 /nfs/dbraw/zinc/60/40/45/1059604045.db2.gz SWRNEPBRMLOGLG-RTBURBONSA-N 1 0 317.379 4.214 20 30 DIEDRO C=C(C)[C@H](NCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001559767117 1059605077 /nfs/dbraw/zinc/60/50/77/1059605077.db2.gz STEQCBZDVBWBOS-DOXZYTNZSA-N 1 0 322.443 4.150 20 30 DIEDRO CCCCCCCCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001532399976 1059618715 /nfs/dbraw/zinc/61/87/15/1059618715.db2.gz MJWJPNKJHCVMCC-SFHVURJKSA-N 1 0 308.510 4.260 20 30 DIEDRO Cc1ccccc1[C@@]1(F)CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC001559787671 1059622033 /nfs/dbraw/zinc/62/20/33/1059622033.db2.gz XQICIPUGFYHDIS-OXQOHEQNSA-N 1 0 308.400 4.498 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2ccc(C)c(C(=O)OC)c2)CCCC1(C)C ZINC001559797030 1059633003 /nfs/dbraw/zinc/63/30/03/1059633003.db2.gz DVPIZKJRGGLFBP-GOSISDBHSA-N 1 0 315.457 4.348 20 30 DIEDRO C=C(C)[C@@H](CO)[NH+]1CCC(CC)(c2ccc(Cl)cc2)CC1 ZINC001559810558 1059645971 /nfs/dbraw/zinc/64/59/71/1059645971.db2.gz PGEZMGZWUYVEDD-QGZVFWFLSA-N 1 0 307.865 4.021 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC001559831190 1059664741 /nfs/dbraw/zinc/66/47/41/1059664741.db2.gz NNMCEMIZEGYYAQ-AABGKKOBSA-N 1 0 301.474 4.461 20 30 DIEDRO C=C(C)CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC001559860367 1059679336 /nfs/dbraw/zinc/67/93/36/1059679336.db2.gz ZOGPSIQTKOZZSG-BBRMVZONSA-N 1 0 313.363 4.433 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC001559868402 1059689089 /nfs/dbraw/zinc/68/90/89/1059689089.db2.gz QLTCIQBDIANPGY-JXXFODFXSA-N 1 0 320.436 4.333 20 30 DIEDRO CCCCCCCc1ccc(-c2noc(CC[NH2+]C)n2)cc1 ZINC001248047044 1059704158 /nfs/dbraw/zinc/70/41/58/1059704158.db2.gz MSRXNDKMVSGTHF-UHFFFAOYSA-N 1 0 301.434 4.011 20 30 DIEDRO COC[C@H]([NH2+]CCCCC1(C#N)CCC1)c1cccc(Cl)c1 ZINC001559885952 1059707068 /nfs/dbraw/zinc/70/70/68/1059707068.db2.gz AXSQUTXIRCKBPZ-KRWDZBQOSA-N 1 0 320.864 4.481 20 30 DIEDRO C=CCCCC[N@@H+](C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001559935985 1059748742 /nfs/dbraw/zinc/74/87/42/1059748742.db2.gz WHBSWWXBEOXQAD-FQEVSTJZSA-N 1 0 300.490 4.328 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC001559938566 1059753341 /nfs/dbraw/zinc/75/33/41/1059753341.db2.gz MVGCSGALVKTKPV-UHFFFAOYSA-N 1 0 309.384 4.463 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C1(c2ccccc2F)CCC1 ZINC001559941568 1059755508 /nfs/dbraw/zinc/75/55/08/1059755508.db2.gz VYNKMHZHERELOX-UHFFFAOYSA-N 1 0 308.400 4.483 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001559946909 1059761795 /nfs/dbraw/zinc/76/17/95/1059761795.db2.gz DOUPXVFZOUXFPT-MRXNPFEDSA-N 1 0 309.384 4.463 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001559982940 1059787077 /nfs/dbraw/zinc/78/70/77/1059787077.db2.gz ANZRQHLMOPFQPJ-MRXNPFEDSA-N 1 0 323.358 4.225 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC001559992766 1059796350 /nfs/dbraw/zinc/79/63/50/1059796350.db2.gz HTVBGFUEWHYAMI-SUMWQHHRSA-N 1 0 321.848 4.351 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001559992483 1059797897 /nfs/dbraw/zinc/79/78/97/1059797897.db2.gz AWOACEGISKXSAB-WBMJQRKESA-N 1 0 308.809 4.473 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001559993704 1059801549 /nfs/dbraw/zinc/80/15/49/1059801549.db2.gz FRYMYQBQMMFJRY-YOEHRIQHSA-N 1 0 321.848 4.351 20 30 DIEDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001560004693 1059811532 /nfs/dbraw/zinc/81/15/32/1059811532.db2.gz MGVRYFOTQKPSAR-INIZCTEOSA-N 1 0 324.855 4.032 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001560053071 1059870023 /nfs/dbraw/zinc/87/00/23/1059870023.db2.gz AWUYWMHLANOYGU-HOTGVXAUSA-N 1 0 312.498 4.334 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)C[C@H](C)C1CCCCC1 ZINC001560058045 1059875591 /nfs/dbraw/zinc/87/55/91/1059875591.db2.gz JLRQDHAYIMUVJI-HNNXBMFYSA-N 1 0 300.446 4.215 20 30 DIEDRO C=CCC1([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CCCCC1 ZINC001560070858 1059880850 /nfs/dbraw/zinc/88/08/50/1059880850.db2.gz PBRWITZRAJWWBF-UHFFFAOYSA-N 1 0 323.383 4.419 20 30 DIEDRO Cc1cncc([C@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)c1 ZINC001560086244 1059898964 /nfs/dbraw/zinc/89/89/64/1059898964.db2.gz ZZDJGVGRPVJDKQ-LJQANCHMSA-N 1 0 310.828 4.232 20 30 DIEDRO N#CC1(CC[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CCCCC1 ZINC001560121478 1059926572 /nfs/dbraw/zinc/92/65/72/1059926572.db2.gz FINNFIAJOZFCAE-SFHVURJKSA-N 1 0 316.420 4.143 20 30 DIEDRO CC(C)Oc1cc(C[NH+]2CCC(S)CC2)cc(OC(C)C)c1 ZINC001248660518 1059928374 /nfs/dbraw/zinc/92/83/74/1059928374.db2.gz TVDGFORCOBWRPV-UHFFFAOYSA-N 1 0 323.502 4.155 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC001560127753 1059931662 /nfs/dbraw/zinc/93/16/62/1059931662.db2.gz VNOKMRHENVACQO-LBPRGKRZSA-N 1 0 323.278 4.435 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)s1 ZINC001560135661 1059939590 /nfs/dbraw/zinc/93/95/90/1059939590.db2.gz XWBNKWVBJHVQKC-HNNXBMFYSA-N 1 0 318.486 4.060 20 30 DIEDRO C[C@@H](COCC1CCCCC1)[NH2+]CCC1(C#N)CCCCC1 ZINC001560160644 1059953008 /nfs/dbraw/zinc/95/30/08/1059953008.db2.gz BKVPINJXWVGRBM-KRWDZBQOSA-N 1 0 306.494 4.426 20 30 DIEDRO N#Cc1ccc(CC[N@@H+](Cc2cccc(F)c2)C2CCC2)cc1 ZINC001560158273 1059954248 /nfs/dbraw/zinc/95/42/48/1059954248.db2.gz GJOPCHDXRICGQQ-UHFFFAOYSA-N 1 0 308.400 4.295 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Cl)cc2c1OCC2 ZINC001560170925 1059961835 /nfs/dbraw/zinc/96/18/35/1059961835.db2.gz RZQHZOLURBJGEM-HSBZDZAISA-N 1 0 318.848 4.255 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC001248751939 1059962953 /nfs/dbraw/zinc/96/29/53/1059962953.db2.gz PZNVQTAMUARZFJ-NRFANRHFSA-N 1 0 320.436 4.466 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Oc2ccccc2C)C1 ZINC001248751426 1059963146 /nfs/dbraw/zinc/96/31/46/1059963146.db2.gz WMXQRJOLLDUKMQ-FQEVSTJZSA-N 1 0 320.436 4.082 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC001248751940 1059963801 /nfs/dbraw/zinc/96/38/01/1059963801.db2.gz PZNVQTAMUARZFJ-OAQYLSRUSA-N 1 0 320.436 4.466 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC001248751621 1059963954 /nfs/dbraw/zinc/96/39/54/1059963954.db2.gz DAVUBPNDCYYNGG-HNNXBMFYSA-N 1 0 308.425 4.322 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001248751871 1059965759 /nfs/dbraw/zinc/96/57/59/1059965759.db2.gz NLXJFFVDDQDVOO-IBGZPJMESA-N 1 0 308.400 4.249 20 30 DIEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001248751954 1059966195 /nfs/dbraw/zinc/96/61/95/1059966195.db2.gz QJZAWWWVAYWTJK-SFHVURJKSA-N 1 0 300.421 4.225 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3OC)c2)C1 ZINC001248759991 1059969576 /nfs/dbraw/zinc/96/95/76/1059969576.db2.gz ZDUQETYVCPRSIJ-QGZVFWFLSA-N 1 0 321.420 4.333 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001560200058 1059979377 /nfs/dbraw/zinc/97/93/77/1059979377.db2.gz LFHCGRYOAPJNKY-CVEARBPZSA-N 1 0 313.363 4.169 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC001560205881 1059983669 /nfs/dbraw/zinc/98/36/69/1059983669.db2.gz JQMULZREGSTFCG-JFIYKMOQSA-N 1 0 322.452 4.056 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001560204290 1059985860 /nfs/dbraw/zinc/98/58/60/1059985860.db2.gz FRHIGVDNWGBJMM-MRXNPFEDSA-N 1 0 320.452 4.023 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC001525703312 1059995444 /nfs/dbraw/zinc/99/54/44/1059995444.db2.gz SXKINYVPIZNDPI-IPMKNSEASA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@H]1c1ccc(C(=O)OC)n1C ZINC001560227215 1060000259 /nfs/dbraw/zinc/00/02/59/1060000259.db2.gz JQSJHCOIAVECFG-KRWDZBQOSA-N 1 0 320.477 4.309 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)C1 ZINC001560249459 1060017182 /nfs/dbraw/zinc/01/71/82/1060017182.db2.gz JXHKDSQFNFMOBR-IKGGRYGDSA-N 1 0 304.503 4.219 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCCOc1ccccc1 ZINC001560259569 1060027715 /nfs/dbraw/zinc/02/77/15/1060027715.db2.gz TUKPQUMFIASRRV-UHFFFAOYSA-N 1 0 308.425 4.124 20 30 DIEDRO COc1cccc2c(C[NH2+]Cc3cccc(C#N)c3)cccc12 ZINC001560262013 1060032520 /nfs/dbraw/zinc/03/25/20/1060032520.db2.gz ZDIZSZCHKUONIU-UHFFFAOYSA-N 1 0 302.377 4.010 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccsc2)N(CC)CC)C1 ZINC001560265657 1060037035 /nfs/dbraw/zinc/03/70/35/1060037035.db2.gz ZXIYVSVCJHRQDB-BPQIPLTHSA-N 1 0 306.519 4.465 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001560271783 1060044127 /nfs/dbraw/zinc/04/41/27/1060044127.db2.gz CLARHGAZEMLLGG-HUUCEWRRSA-N 1 0 313.363 4.462 20 30 DIEDRO Cc1ccc(OCCCC[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC001560272025 1060045303 /nfs/dbraw/zinc/04/53/03/1060045303.db2.gz PKNONIQYCXKDBN-UHFFFAOYSA-N 1 0 322.452 4.432 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCOc1ccc(C(C)C)cc1 ZINC001560282661 1060059906 /nfs/dbraw/zinc/05/99/06/1060059906.db2.gz ZAUWHJHBQACOHM-UHFFFAOYSA-N 1 0 322.452 4.467 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2CCCN(C)C2)c1 ZINC001560285234 1060064555 /nfs/dbraw/zinc/06/45/55/1060064555.db2.gz KQBPXKNBZBFPPW-IBGZPJMESA-N 1 0 318.505 4.220 20 30 DIEDRO CC[C@H](C)[C@H]([NH2+]C)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001248931699 1060067105 /nfs/dbraw/zinc/06/71/05/1060067105.db2.gz ICQSIBFUBRYPDF-SJCJKPOMSA-N 1 0 320.396 4.068 20 30 DIEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001560301176 1060085835 /nfs/dbraw/zinc/08/58/35/1060085835.db2.gz LFYXRMMNMHORNK-JLSDUUJJSA-N 1 0 302.437 4.495 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCc3cc(C)ccc32)cc(OC)c1O ZINC001560310172 1060096968 /nfs/dbraw/zinc/09/69/68/1060096968.db2.gz NDZCCXIJAWKCCC-LJQANCHMSA-N 1 0 323.436 4.215 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CCc1ccc2ccccc2c1 ZINC001560316097 1060102597 /nfs/dbraw/zinc/10/25/97/1060102597.db2.gz KZODAXIZGNIKJN-UHFFFAOYSA-N 1 0 315.416 4.184 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)C1 ZINC001560332601 1060117381 /nfs/dbraw/zinc/11/73/81/1060117381.db2.gz QPDIISPIYSXINA-QZTJIDSGSA-N 1 0 322.562 4.073 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2SCC)cc1 ZINC001560369915 1060155220 /nfs/dbraw/zinc/15/52/20/1060155220.db2.gz NTAZCTSDCSXWQK-RBUKOAKNSA-N 1 0 317.498 4.243 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(CCC)CCC2)cc1OC ZINC001560397339 1060183829 /nfs/dbraw/zinc/18/38/29/1060183829.db2.gz UCLLOHYDRNPQJX-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC001560415134 1060199534 /nfs/dbraw/zinc/19/95/34/1060199534.db2.gz YVWBYHJEOPZOMR-KRWDZBQOSA-N 1 0 310.441 4.495 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)C1 ZINC001560416280 1060200111 /nfs/dbraw/zinc/20/01/11/1060200111.db2.gz OZGGTZKUDKEUSS-CJNGLKHVSA-N 1 0 323.278 4.195 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC001560414862 1060200716 /nfs/dbraw/zinc/20/07/16/1060200716.db2.gz OCZVYUMXBACGQP-VQIMIIECSA-N 1 0 303.446 4.079 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001560444405 1060235004 /nfs/dbraw/zinc/23/50/04/1060235004.db2.gz NWPLPSWLZPOFQO-CTNGQTDRSA-N 1 0 319.448 4.200 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1cnc(C)nc1C(F)(F)F ZINC001249399026 1060237801 /nfs/dbraw/zinc/23/78/01/1060237801.db2.gz PZYDPQWXCOBYNC-UHFFFAOYSA-N 1 0 303.372 4.206 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429430 1060245475 /nfs/dbraw/zinc/24/54/75/1060245475.db2.gz BGIRYGZEUNICNJ-CQSZACIVSA-N 1 0 319.408 4.241 20 30 DIEDRO Cc1ccc(CC[N@@H+](C)Cc2cc3ccc(C#N)cc3[nH]2)cc1 ZINC001249429532 1060245973 /nfs/dbraw/zinc/24/59/73/1060245973.db2.gz GFXPWWJASREQJG-UHFFFAOYSA-N 1 0 303.409 4.023 20 30 DIEDRO CC[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1cccc(F)c1 ZINC001249430472 1060246698 /nfs/dbraw/zinc/24/66/98/1060246698.db2.gz SYUKQGYRPARBRH-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO CC[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccc(OC)cc1 ZINC001249430129 1060249521 /nfs/dbraw/zinc/24/95/21/1060249521.db2.gz FJEYOUDOZXRLIB-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)C(C)(C)Cc1ccccc1 ZINC001249430346 1060249779 /nfs/dbraw/zinc/24/97/79/1060249779.db2.gz OEXVFNNODRBCDA-UHFFFAOYSA-N 1 0 317.436 4.493 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC001249456149 1060254712 /nfs/dbraw/zinc/25/47/12/1060254712.db2.gz FWGABFXUQWDEKD-UHFFFAOYSA-N 1 0 316.448 4.233 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC001560469248 1060258712 /nfs/dbraw/zinc/25/87/12/1060258712.db2.gz BQFINDLQCKIXJZ-CVEARBPZSA-N 1 0 302.437 4.260 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OCC)c(OC)c2)CCCCC1 ZINC001560472151 1060262559 /nfs/dbraw/zinc/26/25/59/1060262559.db2.gz MPCILUMTPRSNQP-UHFFFAOYSA-N 1 0 303.446 4.463 20 30 DIEDRO C=CC(C)(C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001560474819 1060263528 /nfs/dbraw/zinc/26/35/28/1060263528.db2.gz CVVODBDJPPDQQX-UHFFFAOYSA-N 1 0 324.871 4.245 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cccc(Oc3ccc(O)cc3)c2)CC1 ZINC001249504794 1060267237 /nfs/dbraw/zinc/26/72/37/1060267237.db2.gz XKDNTPXBYDOMNJ-UHFFFAOYSA-N 1 0 322.408 4.310 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001249503894 1060267688 /nfs/dbraw/zinc/26/76/88/1060267688.db2.gz LSUOMRFZAMLSPJ-MRXNPFEDSA-N 1 0 322.408 4.310 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC)c2)cc1 ZINC001560478287 1060268748 /nfs/dbraw/zinc/26/87/48/1060268748.db2.gz QZMKUBMIGSPCJB-UHFFFAOYSA-N 1 0 323.436 4.145 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2c(OC)ccc3ccccc32)c1 ZINC001560503169 1060299155 /nfs/dbraw/zinc/29/91/55/1060299155.db2.gz DLLXBGBXOQASRE-UHFFFAOYSA-N 1 0 301.389 4.120 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC001560506935 1060304908 /nfs/dbraw/zinc/30/49/08/1060304908.db2.gz VYUFVBRMSYNAFO-ZIFCJYIRSA-N 1 0 313.489 4.341 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+]Cc2ccc(CC#N)cc2)cc1C ZINC001560515295 1060312260 /nfs/dbraw/zinc/31/22/60/1060312260.db2.gz RRBODUFXKWHEKW-SNAWJCMRSA-N 1 0 304.437 4.481 20 30 DIEDRO CSCc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC001560531104 1060332471 /nfs/dbraw/zinc/33/24/71/1060332471.db2.gz SVAKVOXENYPSCQ-UHFFFAOYSA-N 1 0 310.466 4.446 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCCC1 ZINC001560533440 1060338059 /nfs/dbraw/zinc/33/80/59/1060338059.db2.gz QYDYAMYTYHNUGT-IBGZPJMESA-N 1 0 315.457 4.223 20 30 DIEDRO CC1(C)C[C@]1(C[NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC001560540793 1060346027 /nfs/dbraw/zinc/34/60/27/1060346027.db2.gz BBKBSIRJMMJINQ-FQEVSTJZSA-N 1 0 308.400 4.155 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(c3cccs3)CC2)c1F ZINC001249685305 1060348615 /nfs/dbraw/zinc/34/86/15/1060348615.db2.gz IMPSRUJMGOJGLJ-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC001249688052 1060350011 /nfs/dbraw/zinc/35/00/11/1060350011.db2.gz YAKGNQPFHVGMLZ-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccccc1-n1nnc2ccccc21 ZINC001560543203 1060352489 /nfs/dbraw/zinc/35/24/89/1060352489.db2.gz JKRWEFSTWUWQEK-UHFFFAOYSA-N 1 0 320.440 4.112 20 30 DIEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001560549657 1060358164 /nfs/dbraw/zinc/35/81/64/1060358164.db2.gz MIXIEADGWHQRSX-LJQANCHMSA-N 1 0 313.828 4.135 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC001560549900 1060359982 /nfs/dbraw/zinc/35/99/82/1060359982.db2.gz UDSZBQLWZAZMSL-MRXNPFEDSA-N 1 0 317.429 4.072 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001534765238 1060363478 /nfs/dbraw/zinc/36/34/78/1060363478.db2.gz HVFLXZVGILMYLO-GBESFXJTSA-N 1 0 322.537 4.316 20 30 DIEDRO Cc1cc2cc(C[NH2+][C@@H]3Cc4ccc(C#N)cc4C3)oc2cc1C ZINC001560566272 1060374799 /nfs/dbraw/zinc/37/47/99/1060374799.db2.gz JTLXNSYIUULQOV-LJQANCHMSA-N 1 0 316.404 4.178 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC2(CC3CC3)CC2)ccc1OC ZINC001560572211 1060384506 /nfs/dbraw/zinc/38/45/06/1060384506.db2.gz CQJOHMJVDZRYKW-UHFFFAOYSA-N 1 0 315.457 4.320 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cn(CC)nc2-c2ccccc2)CC1 ZINC001560582333 1060397954 /nfs/dbraw/zinc/39/79/54/1060397954.db2.gz BXYFRTCNZLIXEH-UHFFFAOYSA-N 1 0 309.457 4.406 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)C(C)C)cc1 ZINC001560589550 1060402019 /nfs/dbraw/zinc/40/20/19/1060402019.db2.gz TXAIBNQKPGBPAC-OAQYLSRUSA-N 1 0 307.437 4.056 20 30 DIEDRO C=CCc1cc(C[NH2+]C2(C)C(C)(C)C2(C)C)cc(OC)c1O ZINC001560610392 1060424617 /nfs/dbraw/zinc/42/46/17/1060424617.db2.gz UQGHDWVRODJBAY-UHFFFAOYSA-N 1 0 303.446 4.044 20 30 DIEDRO CC[NH+](CC)CC[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC001560620610 1060431796 /nfs/dbraw/zinc/43/17/96/1060431796.db2.gz DOUXAYVXGJYFDM-NRFANRHFSA-N 1 0 321.468 4.121 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC001560629410 1060441730 /nfs/dbraw/zinc/44/17/30/1060441730.db2.gz OZWWUEPTOCSIFV-UHFFFAOYSA-N 1 0 316.445 4.432 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CCc2ccccc21 ZINC001560646796 1060471520 /nfs/dbraw/zinc/47/15/20/1060471520.db2.gz JCLDYSOMYJOKST-KSEOMHKRSA-N 1 0 316.448 4.488 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C[C@@H](OC)C2CC2)C(C)(C)C)cc1 ZINC001560653197 1060477800 /nfs/dbraw/zinc/47/78/00/1060477800.db2.gz NTWGTBXUSGITQT-LJQANCHMSA-N 1 0 317.473 4.277 20 30 DIEDRO C#CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001560657182 1060480683 /nfs/dbraw/zinc/48/06/83/1060480683.db2.gz FFBOWDIEIOGSIK-DTQAZKPQSA-N 1 0 312.413 4.266 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)ccc1C#N ZINC001560660666 1060483506 /nfs/dbraw/zinc/48/35/06/1060483506.db2.gz WTNATSXMGZCSSA-FQEVSTJZSA-N 1 0 320.436 4.164 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2csc(C#N)c2)C12CCCCC2 ZINC001560668212 1060496656 /nfs/dbraw/zinc/49/66/56/1060496656.db2.gz DQOYXEYXXBSFNY-IAGOWNOFSA-N 1 0 318.486 4.179 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccccc1Br ZINC001560671479 1060502889 /nfs/dbraw/zinc/50/28/89/1060502889.db2.gz GFRHPIKWEUTYQW-OLZOCXBDSA-N 1 0 309.251 4.382 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Br)c(Cl)s1)CC1CC1 ZINC001560672709 1060507703 /nfs/dbraw/zinc/50/77/03/1060507703.db2.gz PZEZPAVSBVJVDC-UHFFFAOYSA-N 1 0 318.667 4.009 20 30 DIEDRO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCOc2ccccc21 ZINC001560682595 1060527011 /nfs/dbraw/zinc/52/70/11/1060527011.db2.gz GDFFMWCSOZBIIH-INIZCTEOSA-N 1 0 311.400 4.380 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cccc(Br)c1 ZINC001560709990 1060568084 /nfs/dbraw/zinc/56/80/84/1060568084.db2.gz WXBYBLPVDUVPLR-UHFFFAOYSA-N 1 0 320.230 4.273 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC001560756599 1060623315 /nfs/dbraw/zinc/62/33/15/1060623315.db2.gz RFHGVOCAIVRQDU-AWEZNQCLSA-N 1 0 306.400 4.306 20 30 DIEDRO C#C[C@H](C)[N@H+](C)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001560792996 1060650857 /nfs/dbraw/zinc/65/08/57/1060650857.db2.gz BOYKILTYMANAAU-MZEUMTGBSA-N 1 0 305.421 4.232 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2c(CC)nn(C)c2CC)CCCC1(C)C ZINC001560793393 1060654092 /nfs/dbraw/zinc/65/40/92/1060654092.db2.gz NYENMEVVPCCGEA-SFHVURJKSA-N 1 0 303.494 4.112 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001560795092 1060656194 /nfs/dbraw/zinc/65/61/94/1060656194.db2.gz MAEHIHDJDSWENJ-BRWVUGGUSA-N 1 0 322.493 4.063 20 30 DIEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(CCc2ccccc2)s1 ZINC001560794924 1060656399 /nfs/dbraw/zinc/65/63/99/1060656399.db2.gz INDDPGRZIISCIK-QGZVFWFLSA-N 1 0 312.482 4.469 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC001560806536 1060666127 /nfs/dbraw/zinc/66/61/27/1060666127.db2.gz KQSVDVCKEIBGON-HZPDHXFCSA-N 1 0 313.445 4.446 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)Cc2coc3ccccc23)ccc1C#N ZINC001560813361 1060671832 /nfs/dbraw/zinc/67/18/32/1060671832.db2.gz WAEPZADMFOXDKN-AWEZNQCLSA-N 1 0 320.392 4.034 20 30 DIEDRO C#C[C@@H](CC)[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001560817955 1060676948 /nfs/dbraw/zinc/67/69/48/1060676948.db2.gz DXFKOZOOKNHOAJ-HNNXBMFYSA-N 1 0 318.779 4.168 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](OCC)C1)c1ccc(Cl)cc1F ZINC001560825261 1060684335 /nfs/dbraw/zinc/68/43/35/1060684335.db2.gz GVWOLHBVCVTMQW-ZQIUZPCESA-N 1 0 309.812 4.091 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](SC)C1)c1ccc(Cl)cc1F ZINC001560825794 1060684546 /nfs/dbraw/zinc/68/45/46/1060684546.db2.gz XRALPTPHFAVSAY-ZENOOKHLSA-N 1 0 311.853 4.417 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001560832656 1060691204 /nfs/dbraw/zinc/69/12/04/1060691204.db2.gz KEVQZDBJKOPKOP-AWEZNQCLSA-N 1 0 306.400 4.159 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001560837622 1060695363 /nfs/dbraw/zinc/69/53/63/1060695363.db2.gz XGYJQDCCGYOCMK-GDBMZVCRSA-N 1 0 302.418 4.108 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001560849092 1060704447 /nfs/dbraw/zinc/70/44/47/1060704447.db2.gz PFFFQWMMQRLXJB-CZUORRHYSA-N 1 0 308.878 4.446 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(Cl)cc1 ZINC001560865267 1060726420 /nfs/dbraw/zinc/72/64/20/1060726420.db2.gz VGAHDQUNVDZZAW-YJBOKZPZSA-N 1 0 320.823 4.253 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001560888569 1060750310 /nfs/dbraw/zinc/75/03/10/1060750310.db2.gz BBGJYCCFIUARAY-GVDBMIGSSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001560910180 1060771699 /nfs/dbraw/zinc/77/16/99/1060771699.db2.gz RQVTUSDTPHGPMH-KRWDZBQOSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC001560916918 1060778944 /nfs/dbraw/zinc/77/89/44/1060778944.db2.gz YSOYRQJWQRWXLU-JYJNAYRXSA-N 1 0 322.493 4.157 20 30 DIEDRO C(#Cc1ccccc1)C[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC001560919246 1060782468 /nfs/dbraw/zinc/78/24/68/1060782468.db2.gz XVNKMSQESGIKBG-UHFFFAOYSA-N 1 0 314.388 4.015 20 30 DIEDRO N#Cc1c(Cl)c(Cl)ccc1Nc1ccc2c[nH+]cn2c1 ZINC001250331765 1060784878 /nfs/dbraw/zinc/78/48/78/1060784878.db2.gz CCFGYZQJSCSLFR-UHFFFAOYSA-N 1 0 303.152 4.256 20 30 DIEDRO N#Cc1ccc(-c2ccccc2Nc2ccc3c[nH+]cn3c2)nc1 ZINC001250335115 1060786783 /nfs/dbraw/zinc/78/67/83/1060786783.db2.gz URSONMPXWDYIJJ-UHFFFAOYSA-N 1 0 311.348 4.012 20 30 DIEDRO C=CCOCCC[NH2+][C@H](CC)Cc1ccc(Cl)cc1Cl ZINC001560934727 1060797930 /nfs/dbraw/zinc/79/79/30/1060797930.db2.gz YPUKQAVIPXWFSQ-OAHLLOKOSA-N 1 0 316.272 4.497 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC001560936351 1060798849 /nfs/dbraw/zinc/79/88/49/1060798849.db2.gz XFWZFFGCPDBJIC-UHOSZYNNSA-N 1 0 303.494 4.246 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC001560939316 1060800666 /nfs/dbraw/zinc/80/06/66/1060800666.db2.gz DJSXMZOYOZTWKV-HXUWFJFHSA-N 1 0 320.436 4.141 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC001560945267 1060809943 /nfs/dbraw/zinc/80/99/43/1060809943.db2.gz VJSHYXSZDNBYGI-INIZCTEOSA-N 1 0 305.462 4.217 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001560947801 1060812969 /nfs/dbraw/zinc/81/29/69/1060812969.db2.gz HWHQEJPUDWVJHC-ZDUSSCGKSA-N 1 0 307.459 4.101 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001560947800 1060815341 /nfs/dbraw/zinc/81/53/41/1060815341.db2.gz HWHQEJPUDWVJHC-CYBMUJFWSA-N 1 0 307.459 4.101 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C)cc2)cc1C#N ZINC001560985455 1060849642 /nfs/dbraw/zinc/84/96/42/1060849642.db2.gz AWIIKTXGWUOZAZ-VQTJNVASSA-N 1 0 320.436 4.301 20 30 DIEDRO C#CCCCCCC[NH2+]CCc1sccc1Br ZINC001560985664 1060850344 /nfs/dbraw/zinc/85/03/44/1060850344.db2.gz HVYHTAZOFPWEBF-UHFFFAOYSA-N 1 0 314.292 4.226 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001560990791 1060854550 /nfs/dbraw/zinc/85/45/50/1060854550.db2.gz TWHUSRRPEZSWDF-WBVHZDCISA-N 1 0 320.864 4.170 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC001560997156 1060855413 /nfs/dbraw/zinc/85/54/13/1060855413.db2.gz MHGJOYYVHKEIIL-INIZCTEOSA-N 1 0 310.363 4.262 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC001560995640 1060855572 /nfs/dbraw/zinc/85/55/72/1060855572.db2.gz SBANHLFCIJLRMO-ZDUSSCGKSA-N 1 0 303.372 4.017 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001560997280 1060856608 /nfs/dbraw/zinc/85/66/08/1060856608.db2.gz PODPDUIYBDHVQU-JKSUJKDBSA-N 1 0 324.509 4.356 20 30 DIEDRO C=C1CCC(C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC001561001333 1060860688 /nfs/dbraw/zinc/86/06/88/1060860688.db2.gz QQYYUICBVCNGIQ-OAHLLOKOSA-N 1 0 303.446 4.058 20 30 DIEDRO COc1ccc2oc(C[N@H+](C)Cc3cc(C#N)cs3)cc2c1 ZINC001561025849 1060882392 /nfs/dbraw/zinc/88/23/92/1060882392.db2.gz MBUTYNAOIVOMNU-UHFFFAOYSA-N 1 0 312.394 4.007 20 30 DIEDRO C[N@H+](C/C=C/c1ccc(F)c(F)c1)Cc1cc(C#N)cs1 ZINC001561026134 1060882716 /nfs/dbraw/zinc/88/27/16/1060882716.db2.gz UVPCSZVSKOFQSL-NSCUHMNNSA-N 1 0 304.365 4.043 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001561056393 1060905394 /nfs/dbraw/zinc/90/53/94/1060905394.db2.gz NKKUGIYMYXXHBM-IEZWGBDMSA-N 1 0 301.430 4.004 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC001473195128 1060953491 /nfs/dbraw/zinc/95/34/91/1060953491.db2.gz RYWUFCMXKWPUFK-RDTXWAMCSA-N 1 0 324.424 4.442 20 30 DIEDRO Cc1cccc(C)c1OCCC[N@H+](CCC#N)CCC(C)C ZINC001473204059 1060972019 /nfs/dbraw/zinc/97/20/19/1060972019.db2.gz XOTXTVIODJOCKW-UHFFFAOYSA-N 1 0 302.462 4.334 20 30 DIEDRO C=C(C)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001473208544 1060974255 /nfs/dbraw/zinc/97/42/55/1060974255.db2.gz QYZDGEHFATUPDU-CYBMUJFWSA-N 1 0 300.229 4.413 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC001473216733 1060988948 /nfs/dbraw/zinc/98/89/48/1060988948.db2.gz YWNRMEQAFJPKBF-VQIMIIECSA-N 1 0 320.436 4.020 20 30 DIEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001473216311 1060989322 /nfs/dbraw/zinc/98/93/22/1060989322.db2.gz RTWZOEWDBZAMKS-DYESRHJHSA-N 1 0 304.437 4.054 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)ccc1C#N ZINC001462181043 1061001344 /nfs/dbraw/zinc/00/13/44/1061001344.db2.gz DTDSBBQBIKDTBP-UZLBHIALSA-N 1 0 320.436 4.253 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)ccc1C#N ZINC001462181037 1061003279 /nfs/dbraw/zinc/00/32/79/1061003279.db2.gz DTDSBBQBIKDTBP-JXFKEZNVSA-N 1 0 320.436 4.253 20 30 DIEDRO CCC1(CC)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001473224491 1061006755 /nfs/dbraw/zinc/00/67/55/1061006755.db2.gz ZNIDYBZPRHUNFB-UHFFFAOYSA-N 1 0 321.262 4.333 20 30 DIEDRO CCC1(CC)[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1OC ZINC001473238095 1061014239 /nfs/dbraw/zinc/01/42/39/1061014239.db2.gz WGWQBBRMYUCLCV-SJORKVTESA-N 1 0 320.864 4.237 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC001473263121 1061037141 /nfs/dbraw/zinc/03/71/41/1061037141.db2.gz NZRSTLUQOPTUFZ-UHFFFAOYSA-N 1 0 309.457 4.326 20 30 DIEDRO C#C[C@@H](CC)[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC001462222346 1061038090 /nfs/dbraw/zinc/03/80/90/1061038090.db2.gz NHUBPASHHVGAOU-SFHVURJKSA-N 1 0 307.441 4.167 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C(C)C)[C@H]1C(C)C ZINC001462237180 1061049243 /nfs/dbraw/zinc/04/92/43/1061049243.db2.gz ZXWVIRCPVWRSGP-DNVCBOLYSA-N 1 0 319.876 4.464 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](C(C)C)[C@H]1C(C)C ZINC001462237181 1061049589 /nfs/dbraw/zinc/04/95/89/1061049589.db2.gz ZXWVIRCPVWRSGP-HNAYVOBHSA-N 1 0 319.876 4.464 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001462246604 1061051133 /nfs/dbraw/zinc/05/11/33/1061051133.db2.gz FNUIZJXLHLNWOI-HNNXBMFYSA-N 1 0 324.509 4.214 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)CCC1 ZINC001473283008 1061054209 /nfs/dbraw/zinc/05/42/09/1061054209.db2.gz NBRJHOZLLMTCOJ-NRFANRHFSA-N 1 0 324.468 4.024 20 30 DIEDRO C#CC[N@H+](C/C=C/c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC001462255388 1061057677 /nfs/dbraw/zinc/05/76/77/1061057677.db2.gz NDCJUNYKTBTTBW-RMKNXTFCSA-N 1 0 317.432 4.376 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)cc1F ZINC001462273604 1061067404 /nfs/dbraw/zinc/06/74/04/1061067404.db2.gz IPOVBXDLUPPTMY-RTBURBONSA-N 1 0 308.400 4.371 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H]1CCCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC001462275721 1061068757 /nfs/dbraw/zinc/06/87/57/1061068757.db2.gz HBLKGJQMWPYNIO-UYAOXDASSA-N 1 0 323.411 4.046 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)C(C)(C)C ZINC001462297999 1061088746 /nfs/dbraw/zinc/08/87/46/1061088746.db2.gz PXRHKYMYQLMUHQ-OAHLLOKOSA-N 1 0 313.272 4.197 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CCC)c1ccc(C(F)(F)F)cc1 ZINC001473316825 1061082029 /nfs/dbraw/zinc/08/20/29/1061082029.db2.gz AYHKYKVMLCIJAN-HOTGVXAUSA-N 1 0 315.379 4.463 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001473316771 1061082932 /nfs/dbraw/zinc/08/29/32/1061082932.db2.gz XAMKXBWBACDGMP-HOSYDEDBSA-N 1 0 314.763 4.284 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001462290659 1061084312 /nfs/dbraw/zinc/08/43/12/1061084312.db2.gz CFFCLUPZHUITDA-ABAIWWIYSA-N 1 0 314.256 4.398 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC001473326532 1061088170 /nfs/dbraw/zinc/08/81/70/1061088170.db2.gz FYJQYYZLMHHJLH-GOSISDBHSA-N 1 0 321.380 4.264 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1c(C)nn(C)c1Cl)c1ccccc1 ZINC001473327587 1061090449 /nfs/dbraw/zinc/09/04/49/1061090449.db2.gz QYXAQEKRZKBHDS-MRXNPFEDSA-N 1 0 303.837 4.179 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](COc1c(C)cccc1C)C(C)(C)C ZINC001473336028 1061094074 /nfs/dbraw/zinc/09/40/74/1061094074.db2.gz QGEQJQPGPOALGU-QZTJIDSGSA-N 1 0 319.489 4.014 20 30 DIEDRO C#CCOCC[NH2+][C@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC001473340439 1061099142 /nfs/dbraw/zinc/09/91/42/1061099142.db2.gz IAVLNYRMKNZWHS-OAHLLOKOSA-N 1 0 300.229 4.074 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC001473340295 1061099611 /nfs/dbraw/zinc/09/96/11/1061099611.db2.gz UAHSVEDQAUKYML-KRWDZBQOSA-N 1 0 312.457 4.048 20 30 DIEDRO Cc1ccc(CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC001473344943 1061101840 /nfs/dbraw/zinc/10/18/40/1061101840.db2.gz JIHVGVLYDCYUSI-UHFFFAOYSA-N 1 0 302.421 4.199 20 30 DIEDRO CC1(C)CCC(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC001473348081 1061103072 /nfs/dbraw/zinc/10/30/72/1061103072.db2.gz NPZFPTQESMDTCF-LJQANCHMSA-N 1 0 312.457 4.148 20 30 DIEDRO C[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001462337026 1061112069 /nfs/dbraw/zinc/11/20/69/1061112069.db2.gz XMNDIMTXSAOXHB-FXAWDEMLSA-N 1 0 308.400 4.465 20 30 DIEDRO Cc1ccc([C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)cc1 ZINC001473375730 1061120134 /nfs/dbraw/zinc/12/01/34/1061120134.db2.gz NZDRVXFSENSUSZ-IBGZPJMESA-N 1 0 309.840 4.489 20 30 DIEDRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(C#N)CCC1 ZINC001462353023 1061123983 /nfs/dbraw/zinc/12/39/83/1061123983.db2.gz BTLOAMUADDNUMX-NSHDSACASA-N 1 0 313.228 4.044 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@H]1OC ZINC001462355581 1061125637 /nfs/dbraw/zinc/12/56/37/1061125637.db2.gz LDCVJBROTQYMNK-IPMKNSEASA-N 1 0 312.457 4.119 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1Cl ZINC001462364251 1061130508 /nfs/dbraw/zinc/13/05/08/1061130508.db2.gz YVTFTJVBAQYYIW-AWEZNQCLSA-N 1 0 308.853 4.311 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001473397308 1061134682 /nfs/dbraw/zinc/13/46/82/1061134682.db2.gz JSEBMHQECFUHDJ-IAGOWNOFSA-N 1 0 307.890 4.345 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC001462381846 1061140292 /nfs/dbraw/zinc/14/02/92/1061140292.db2.gz BDUXRAIROGKPEN-KRWDZBQOSA-N 1 0 323.411 4.250 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001473406333 1061140874 /nfs/dbraw/zinc/14/08/74/1061140874.db2.gz RHDIIPJOYSLKPP-INIZCTEOSA-N 1 0 312.457 4.359 20 30 DIEDRO C=CCCCCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001473409499 1061143753 /nfs/dbraw/zinc/14/37/53/1061143753.db2.gz QTBHFZGYGHTQJB-SJORKVTESA-N 1 0 324.509 4.406 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC001462396751 1061147562 /nfs/dbraw/zinc/14/75/62/1061147562.db2.gz QFYPTIJHCQYEDA-XLIONFOSSA-N 1 0 303.490 4.202 20 30 DIEDRO N#Cc1ccc(C[N@H+](CC2CC2)CC2CCC2)c(OC(F)F)c1 ZINC001473424356 1061152490 /nfs/dbraw/zinc/15/24/90/1061152490.db2.gz TXDUWRBTZXJCDI-UHFFFAOYSA-N 1 0 320.383 4.172 20 30 DIEDRO CC(C)=CCC[C@H](C)CC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001462410889 1061155570 /nfs/dbraw/zinc/15/55/70/1061155570.db2.gz NNSLDHJBTWPLFY-PXNSSMCTSA-N 1 0 314.473 4.296 20 30 DIEDRO CC(C)=CCC[C@H](C)CC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001462410886 1061156215 /nfs/dbraw/zinc/15/62/15/1061156215.db2.gz NNSLDHJBTWPLFY-FXAWDEMLSA-N 1 0 314.473 4.296 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC001462415797 1061159763 /nfs/dbraw/zinc/15/97/63/1061159763.db2.gz YCPXFTZYIVMZDJ-MRXNPFEDSA-N 1 0 313.420 4.108 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCC(C)(C)C1 ZINC001473443610 1061160910 /nfs/dbraw/zinc/16/09/10/1061160910.db2.gz OTLIGFHSMVCOQY-AWEZNQCLSA-N 1 0 321.262 4.331 20 30 DIEDRO C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC001473445510 1061162594 /nfs/dbraw/zinc/16/25/94/1061162594.db2.gz NTVUVUSQDOKQNM-SNVBAGLBSA-N 1 0 306.196 4.111 20 30 DIEDRO C=CCCCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001473454940 1061170558 /nfs/dbraw/zinc/17/05/58/1061170558.db2.gz GRZPGPLSXKTBQV-GOSISDBHSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001462430542 1061170618 /nfs/dbraw/zinc/17/06/18/1061170618.db2.gz YYJQKRZAIJOUOV-XGHPGWEVSA-N 1 0 322.493 4.014 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001473459199 1061172975 /nfs/dbraw/zinc/17/29/75/1061172975.db2.gz HJSGXDHJGCZSRM-QGZVFWFLSA-N 1 0 310.482 4.044 20 30 DIEDRO CCCC[N@H+](CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1OC ZINC001473473369 1061180220 /nfs/dbraw/zinc/18/02/20/1061180220.db2.gz IITVMFKPYXBCKJ-WOJBJXKFSA-N 1 0 314.473 4.160 20 30 DIEDRO C=CCCC(C)(C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462455245 1061183621 /nfs/dbraw/zinc/18/36/21/1061183621.db2.gz YGYRQYLJUAURAH-HZPDHXFCSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CCCC(C)(C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462455242 1061183758 /nfs/dbraw/zinc/18/37/58/1061183758.db2.gz YGYRQYLJUAURAH-CVEARBPZSA-N 1 0 324.509 4.356 20 30 DIEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001473518463 1061213348 /nfs/dbraw/zinc/21/33/48/1061213348.db2.gz CNIVHPBWWQOOBF-NVXWUHKLSA-N 1 0 300.446 4.084 20 30 DIEDRO C=CCCCC[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001473522620 1061216342 /nfs/dbraw/zinc/21/63/42/1061216342.db2.gz ARKTYQFNPPELKN-CQSZACIVSA-N 1 0 310.844 4.346 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001455763358 1061235310 /nfs/dbraw/zinc/23/53/10/1061235310.db2.gz WOMOVLLLZZIDEH-FGTMMUONSA-N 1 0 308.510 4.068 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1 ZINC001462526899 1061237621 /nfs/dbraw/zinc/23/76/21/1061237621.db2.gz XXGUOYODGYTGNB-OGWOLHLISA-N 1 0 322.456 4.466 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C1CC(CC(=O)OC)C1)c1ccccc1 ZINC001462551152 1061256204 /nfs/dbraw/zinc/25/62/04/1061256204.db2.gz USRKPVYGTPYUJT-VMWRSERWSA-N 1 0 301.430 4.015 20 30 DIEDRO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001473575584 1061260840 /nfs/dbraw/zinc/26/08/40/1061260840.db2.gz BJYSGJYTMCKKLP-NRFANRHFSA-N 1 0 322.427 4.337 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC001473573570 1061264345 /nfs/dbraw/zinc/26/43/45/1061264345.db2.gz PUGXWDKZVOTMEB-ZDUSSCGKSA-N 1 0 300.352 4.072 20 30 DIEDRO C=CC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001473585790 1061272542 /nfs/dbraw/zinc/27/25/42/1061272542.db2.gz JLNIYROURGHMDU-RYQLBKOJSA-N 1 0 315.457 4.008 20 30 DIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1 ZINC001462576521 1061272747 /nfs/dbraw/zinc/27/27/47/1061272747.db2.gz FCOIOZYRZOZEOP-HOTGVXAUSA-N 1 0 308.425 4.157 20 30 DIEDRO CCc1ccccc1CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC001473587442 1061274681 /nfs/dbraw/zinc/27/46/81/1061274681.db2.gz JHIWWGHQZKUSRV-UHFFFAOYSA-N 1 0 304.437 4.332 20 30 DIEDRO C=C(C)C[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001473592746 1061276706 /nfs/dbraw/zinc/27/67/06/1061276706.db2.gz GIYBJWUGKUOLEC-UHFFFAOYSA-N 1 0 319.663 4.345 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC001473617248 1061290891 /nfs/dbraw/zinc/29/08/91/1061290891.db2.gz NAGQUFXDWSCCCW-YWZLYKJASA-N 1 0 308.400 4.422 20 30 DIEDRO CCCCCCC[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC001473617551 1061291013 /nfs/dbraw/zinc/29/10/13/1061291013.db2.gz YQDOTZVKYMZCMR-NVXWUHKLSA-N 1 0 319.493 4.418 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC001473628058 1061304565 /nfs/dbraw/zinc/30/45/65/1061304565.db2.gz ZALQPGWDGSGRHK-LSDHHAIUSA-N 1 0 320.864 4.264 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1C ZINC001473637203 1061305949 /nfs/dbraw/zinc/30/59/49/1061305949.db2.gz DNXMPBFISAQADC-PXNSSMCTSA-N 1 0 309.457 4.405 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CC(=O)N1CCCCc2ccccc21 ZINC001462631889 1061306577 /nfs/dbraw/zinc/30/65/77/1061306577.db2.gz WJPYJOMQDRVINO-GOSISDBHSA-N 1 0 314.473 4.080 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC001473637608 1061307050 /nfs/dbraw/zinc/30/70/50/1061307050.db2.gz IYNYBZJKAAQNDQ-WMLDXEAASA-N 1 0 320.864 4.393 20 30 DIEDRO CC(C)([NH2+]CCOC1CCCCCC1)c1cccc(C#N)c1 ZINC001473636314 1061307067 /nfs/dbraw/zinc/30/70/67/1061307067.db2.gz TUPNJLYWAWSNMN-UHFFFAOYSA-N 1 0 300.446 4.122 20 30 DIEDRO C#CC[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C(C)C ZINC001462628976 1061307750 /nfs/dbraw/zinc/30/77/50/1061307750.db2.gz JQZNKBCKYZUYJV-UHFFFAOYSA-N 1 0 304.846 4.307 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1C ZINC001473637204 1061308734 /nfs/dbraw/zinc/30/87/34/1061308734.db2.gz DNXMPBFISAQADC-XLIONFOSSA-N 1 0 309.457 4.405 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@@H]2CCCC23CCCCC3)c1 ZINC001473639998 1061311019 /nfs/dbraw/zinc/31/10/19/1061311019.db2.gz FGDLNTNATUCJRW-LJQANCHMSA-N 1 0 312.457 4.420 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001462639386 1061312754 /nfs/dbraw/zinc/31/27/54/1061312754.db2.gz XURHKJXZZNABKZ-YVSFHVDLSA-N 1 0 322.493 4.251 20 30 DIEDRO C=CCC1([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CCCC1 ZINC001473646453 1061314205 /nfs/dbraw/zinc/31/42/05/1061314205.db2.gz CMIFBXVHZBJNHA-UHFFFAOYSA-N 1 0 309.356 4.029 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001462644339 1061314844 /nfs/dbraw/zinc/31/48/44/1061314844.db2.gz IZHOFKAMUPCJAN-ULQDDVLXSA-N 1 0 324.509 4.404 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2ccccc2F)CC2CC2)cc1C#N ZINC001473654444 1061318415 /nfs/dbraw/zinc/31/84/15/1061318415.db2.gz IGZUZHOFTVALGN-UHFFFAOYSA-N 1 0 308.400 4.418 20 30 DIEDRO C=C(C)c1cccc(NC2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC001462651468 1061319251 /nfs/dbraw/zinc/31/92/51/1061319251.db2.gz ZVIWUFUBNSSUPW-UHFFFAOYSA-N 1 0 314.473 4.165 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC001473660238 1061322208 /nfs/dbraw/zinc/32/22/08/1061322208.db2.gz ZUKSJSQDKHRRTI-UHFFFAOYSA-N 1 0 320.177 4.058 20 30 DIEDRO CC(C)c1ccccc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001473671771 1061331068 /nfs/dbraw/zinc/33/10/68/1061331068.db2.gz JOQTZSSEMMLZOA-UHFFFAOYSA-N 1 0 319.452 4.456 20 30 DIEDRO Cc1cccc([C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC001473671893 1061331509 /nfs/dbraw/zinc/33/15/09/1061331509.db2.gz FNBPQOCWKUSXLT-INIZCTEOSA-N 1 0 305.425 4.202 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001473675710 1061335499 /nfs/dbraw/zinc/33/54/99/1061335499.db2.gz WMKYLAKRLCHRHJ-LPHOPBHVSA-N 1 0 324.509 4.336 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001473676124 1061336393 /nfs/dbraw/zinc/33/63/93/1061336393.db2.gz KOVABPCZFVQMDA-LPHOPBHVSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CCC1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001473719519 1061373132 /nfs/dbraw/zinc/37/31/32/1061373132.db2.gz KKQNCTVXBNSEIH-UHFFFAOYSA-N 1 0 318.417 4.232 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC001473732922 1061378448 /nfs/dbraw/zinc/37/84/48/1061378448.db2.gz ZDCILWDMGODATM-UHFFFAOYSA-N 1 0 300.405 4.386 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001473741938 1061384097 /nfs/dbraw/zinc/38/40/97/1061384097.db2.gz MSIOXZZZZJOZBG-IPMKNSEASA-N 1 0 301.474 4.266 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001473741940 1061385159 /nfs/dbraw/zinc/38/51/59/1061385159.db2.gz MSIOXZZZZJOZBG-OTWHNJEPSA-N 1 0 301.474 4.266 20 30 DIEDRO C=CCCC[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC001473759511 1061397142 /nfs/dbraw/zinc/39/71/42/1061397142.db2.gz IGVVOJZETMDFHT-LEWJYISDSA-N 1 0 320.436 4.279 20 30 DIEDRO C[C@@H]1c2sccc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001473763393 1061399897 /nfs/dbraw/zinc/39/98/97/1061399897.db2.gz YXFGXCBLHUYPFB-CQSZACIVSA-N 1 0 312.438 4.008 20 30 DIEDRO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC1(CC#N)CC1 ZINC001473762354 1061400996 /nfs/dbraw/zinc/40/09/96/1061400996.db2.gz RLFVGHOBYYNBFQ-AWEZNQCLSA-N 1 0 304.384 4.227 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1C ZINC001473780967 1061406283 /nfs/dbraw/zinc/40/62/83/1061406283.db2.gz PMXHGXVUKDLNQR-ZDUSSCGKSA-N 1 0 314.816 4.380 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473796073 1061410328 /nfs/dbraw/zinc/41/03/28/1061410328.db2.gz BPBQKJLLVDITDA-IBGZPJMESA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001251609526 1061416084 /nfs/dbraw/zinc/41/60/84/1061416084.db2.gz WFAQECXPDBSOKP-KRWDZBQOSA-N 1 0 323.525 4.075 20 30 DIEDRO C#CCC1([NH2+]Cc2ncc(-c3ccccc3C)o2)CCCCC1 ZINC001473824522 1061426136 /nfs/dbraw/zinc/42/61/36/1061426136.db2.gz LZDVQVOQAQPDQG-UHFFFAOYSA-N 1 0 308.425 4.466 20 30 DIEDRO N#Cc1ccc(C2CC[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC001473838908 1061429612 /nfs/dbraw/zinc/42/96/12/1061429612.db2.gz NEBCZJDQGYEDBE-NHCUHLMSSA-N 1 0 320.411 4.433 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473854719 1061433936 /nfs/dbraw/zinc/43/39/36/1061433936.db2.gz MPAMMTDBJZVDEO-MRXNPFEDSA-N 1 0 318.417 4.313 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001473857051 1061433988 /nfs/dbraw/zinc/43/39/88/1061433988.db2.gz BBIAOIYHDVXEGW-ZNMIVQPWSA-N 1 0 317.395 4.355 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC001473857608 1061436661 /nfs/dbraw/zinc/43/66/61/1061436661.db2.gz YDCWNKREVPHDJM-KRWDZBQOSA-N 1 0 311.425 4.340 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001473857557 1061437430 /nfs/dbraw/zinc/43/74/30/1061437430.db2.gz WKCNFJNBALMDBR-HNNXBMFYSA-N 1 0 306.356 4.090 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001473865158 1061440136 /nfs/dbraw/zinc/44/01/36/1061440136.db2.gz LXHFJHTZGXIIQO-LJQANCHMSA-N 1 0 306.409 4.089 20 30 DIEDRO CCCCCCCC[C@H](CO)[NH2+]CC#Cc1ccccc1Cl ZINC001473874094 1061445854 /nfs/dbraw/zinc/44/58/54/1061445854.db2.gz SIDLPDOELOCWAD-GOSISDBHSA-N 1 0 321.892 4.393 20 30 DIEDRO CC(C)c1ccc2c(c1)CC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001473904702 1061455127 /nfs/dbraw/zinc/45/51/27/1061455127.db2.gz INPFPEYDLGRNNW-UHFFFAOYSA-N 1 0 304.437 4.282 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2cc3ccnc(Cl)c3s2)c1 ZINC001473926807 1061474710 /nfs/dbraw/zinc/47/47/10/1061474710.db2.gz KBMNCUXIOCWXIC-UHFFFAOYSA-N 1 0 313.813 4.111 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC001473970801 1061516599 /nfs/dbraw/zinc/51/65/99/1061516599.db2.gz IKVCAWJJRIROJM-GXTWGEPZSA-N 1 0 324.262 4.292 20 30 DIEDRO CCC[NH+](CCC)CCCNc1nc(C(C)(C)C)ccc1C#N ZINC001458049329 1061547125 /nfs/dbraw/zinc/54/71/25/1061547125.db2.gz VSWDFAYZGMEORV-UHFFFAOYSA-N 1 0 316.493 4.175 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H](C)CC2)c1 ZINC001474008032 1061549852 /nfs/dbraw/zinc/54/98/52/1061549852.db2.gz SZCWLGPMHHJVMI-CGTJXYLNSA-N 1 0 300.446 4.426 20 30 DIEDRO COc1cc(Cl)ccc1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001474008648 1061549984 /nfs/dbraw/zinc/54/99/84/1061549984.db2.gz GXKAGSBLCZEUCJ-UHFFFAOYSA-N 1 0 314.816 4.127 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccncc1 ZINC001474007737 1061550101 /nfs/dbraw/zinc/55/01/01/1061550101.db2.gz NNKYCOOLFNWBBF-QGZVFWFLSA-N 1 0 318.367 4.133 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCc2ccc(OC)c(OCC)c2)C1 ZINC001474012802 1061555800 /nfs/dbraw/zinc/55/58/00/1061555800.db2.gz HWLQEVQQQHJCFD-SJLPKXTDSA-N 1 0 317.473 4.361 20 30 DIEDRO Cc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001474025149 1061564328 /nfs/dbraw/zinc/56/43/28/1061564328.db2.gz QDIWTPKSSIVCJX-QGZVFWFLSA-N 1 0 322.452 4.353 20 30 DIEDRO CCCCCCCC[C@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC001252121847 1061582315 /nfs/dbraw/zinc/58/23/15/1061582315.db2.gz MRIVNNIQAQSFCO-FQEVSTJZSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001252130694 1061585160 /nfs/dbraw/zinc/58/51/60/1061585160.db2.gz WRZYNPKESFZCLP-WOJBJXKFSA-N 1 0 318.505 4.200 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](SCC)C2)c1 ZINC001474040066 1061585017 /nfs/dbraw/zinc/58/50/17/1061585017.db2.gz PXHCVBJGUDXYNN-FUHWJXTLSA-N 1 0 305.487 4.405 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001252128545 1061585501 /nfs/dbraw/zinc/58/55/01/1061585501.db2.gz OOUVQTACULPFSA-IBGZPJMESA-N 1 0 302.462 4.102 20 30 DIEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001474040228 1061587464 /nfs/dbraw/zinc/58/74/64/1061587464.db2.gz VLLZEGIUUNXGBD-APWZRJJASA-N 1 0 313.489 4.341 20 30 DIEDRO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001464403289 1061587582 /nfs/dbraw/zinc/58/75/82/1061587582.db2.gz RTFITYWMBWYKMQ-HKUYNNGSSA-N 1 0 314.473 4.027 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](C)c1cnc2ccccn21 ZINC001252131158 1061589705 /nfs/dbraw/zinc/58/97/05/1061589705.db2.gz HXXZSRZSBKJMPO-SJORKVTESA-N 1 0 317.477 4.096 20 30 DIEDRO CCCCCCCC[C@H](O)CNc1ccc(CC[NH+](C)C)cc1 ZINC001252132006 1061591316 /nfs/dbraw/zinc/59/13/16/1061591316.db2.gz ZPCKZSTZRADZBI-FQEVSTJZSA-N 1 0 320.521 4.314 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCCc2ncccc21 ZINC001252133042 1061592051 /nfs/dbraw/zinc/59/20/51/1061592051.db2.gz FJZLNFQETMYOTB-QFBILLFUSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC001252137608 1061594181 /nfs/dbraw/zinc/59/41/81/1061594181.db2.gz ZJPWXXPANIQKTR-QGZVFWFLSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1(c2cc(C)ccn2)CC1 ZINC001252138611 1061594309 /nfs/dbraw/zinc/59/43/09/1061594309.db2.gz DZUDPBXBELETFJ-GOSISDBHSA-N 1 0 318.505 4.123 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC1(c2cc(C)ccn2)CC1 ZINC001252138629 1061595494 /nfs/dbraw/zinc/59/54/94/1061595494.db2.gz DZUDPBXBELETFJ-SFHVURJKSA-N 1 0 318.505 4.123 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](c1ncccc1F)C1CC1 ZINC001252139422 1061596945 /nfs/dbraw/zinc/59/69/45/1061596945.db2.gz NXOFEKQUPWWKQE-AEFFLSMTSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc2ccncc21 ZINC001252139415 1061597939 /nfs/dbraw/zinc/59/79/39/1061597939.db2.gz KACKOHLXIUQCTH-LJQANCHMSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C1(Cc2ccccn2)CCC1 ZINC001252139208 1061598044 /nfs/dbraw/zinc/59/80/44/1061598044.db2.gz KXAZJYPHHXARRP-LJQANCHMSA-N 1 0 318.505 4.248 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C1(Cc2ccccn2)CCC1 ZINC001252139207 1061598355 /nfs/dbraw/zinc/59/83/55/1061598355.db2.gz KXAZJYPHHXARRP-IBGZPJMESA-N 1 0 318.505 4.248 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C(C)(C)Cc1cccnc1 ZINC001252139956 1061598695 /nfs/dbraw/zinc/59/86/95/1061598695.db2.gz VWKSMZSGYOGPRT-SFHVURJKSA-N 1 0 306.494 4.104 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCCc2ccncc21 ZINC001252140796 1061599240 /nfs/dbraw/zinc/59/92/40/1061599240.db2.gz FPGZVJAMAVQFTC-PKOBYXMFSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001252140782 1061599362 /nfs/dbraw/zinc/59/93/62/1061599362.db2.gz UFAXMBIZXNWCAR-RBUKOAKNSA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](C)Cc1cccc(O)c1 ZINC001252140253 1061599860 /nfs/dbraw/zinc/59/98/60/1061599860.db2.gz ODNWEORSMOLKSL-APWZRJJASA-N 1 0 307.478 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC001252140479 1061600595 /nfs/dbraw/zinc/60/05/95/1061600595.db2.gz APUZPHCKNSFBNK-CRAIPNDOSA-N 1 0 305.462 4.081 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc2onc(C)c2c1 ZINC001252140960 1061600658 /nfs/dbraw/zinc/60/06/58/1061600658.db2.gz VYQNKCPCNZAYAZ-KRWDZBQOSA-N 1 0 318.461 4.337 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc2onc(C)c2c1 ZINC001252140961 1061600889 /nfs/dbraw/zinc/60/08/89/1061600889.db2.gz VYQNKCPCNZAYAZ-QGZVFWFLSA-N 1 0 318.461 4.337 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC001252140480 1061600981 /nfs/dbraw/zinc/60/09/81/1061600981.db2.gz APUZPHCKNSFBNK-MAUKXSAKSA-N 1 0 305.462 4.081 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CC2(Cc3ccccc3)CCC2)cc1 ZINC001474054289 1061601824 /nfs/dbraw/zinc/60/18/24/1061601824.db2.gz WOWZSGLMZBKOJN-UHFFFAOYSA-N 1 0 319.448 4.201 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)C1 ZINC001474064073 1061607080 /nfs/dbraw/zinc/60/70/80/1061607080.db2.gz QAGKVFDOMXRXEY-YPMHNXCESA-N 1 0 315.244 4.102 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001474065565 1061610474 /nfs/dbraw/zinc/61/04/74/1061610474.db2.gz QVSSVGDIZDVOGZ-UHFFFAOYSA-N 1 0 315.388 4.300 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC001474085803 1061631567 /nfs/dbraw/zinc/63/15/67/1061631567.db2.gz FVZYCPHXTSYWPF-AWEZNQCLSA-N 1 0 301.409 4.154 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(C)c(F)c1 ZINC001474090331 1061637474 /nfs/dbraw/zinc/63/74/74/1061637474.db2.gz PDPBJIDLJRYHKW-GOSISDBHSA-N 1 0 312.388 4.255 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1CCCC[C@H]1C)C(C)C ZINC001464871425 1061641918 /nfs/dbraw/zinc/64/19/18/1061641918.db2.gz PCKJRKFYTNLEIY-GUDVDZBRSA-N 1 0 320.521 4.018 20 30 DIEDRO CCc1ccc2c(c1)[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)CCO2 ZINC001474105052 1061652737 /nfs/dbraw/zinc/65/27/37/1061652737.db2.gz ORSFKBHYULCZRB-HXUWFJFHSA-N 1 0 320.436 4.351 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)cc(OC)c1O ZINC001474106603 1061655632 /nfs/dbraw/zinc/65/56/32/1061655632.db2.gz LQCFEQCGUNXRIU-GRDNDAEWSA-N 1 0 303.446 4.044 20 30 DIEDRO C=C[C@@](C)(O)C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001252557233 1061664113 /nfs/dbraw/zinc/66/41/13/1061664113.db2.gz IJVSIYJKJLJTTP-DYESRHJHSA-N 1 0 320.436 4.058 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2CC(C)(C)C2)cc1OC ZINC001474115463 1061664119 /nfs/dbraw/zinc/66/41/19/1061664119.db2.gz JNQMPNOQCKNPDT-UHFFFAOYSA-N 1 0 323.864 4.439 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC001474117886 1061666736 /nfs/dbraw/zinc/66/67/36/1061666736.db2.gz CJAQSGQUVCWHJH-FXAWDEMLSA-N 1 0 320.436 4.068 20 30 DIEDRO C=C[C@H](COC)[NH2+]Cc1ccc(N(CC)c2ccccc2)cc1 ZINC001474120177 1061668984 /nfs/dbraw/zinc/66/89/84/1061668984.db2.gz IYBLGYMSYZXTQR-GOSISDBHSA-N 1 0 310.441 4.135 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)cc1 ZINC001474121089 1061670944 /nfs/dbraw/zinc/67/09/44/1061670944.db2.gz JPCBABZHHMAQGZ-SFTDATJTSA-N 1 0 319.448 4.141 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc1 ZINC001474121086 1061671799 /nfs/dbraw/zinc/67/17/99/1061671799.db2.gz JPCBABZHHMAQGZ-LEWJYISDSA-N 1 0 319.448 4.141 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)c1cc(Cl)cc(Cl)c1 ZINC001252617808 1061680234 /nfs/dbraw/zinc/68/02/34/1061680234.db2.gz LAYCRJSOLPYSFQ-AWEZNQCLSA-N 1 0 302.245 4.145 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCCC1 ZINC001474145237 1061690354 /nfs/dbraw/zinc/69/03/54/1061690354.db2.gz KUILPDGGKSWVBO-UHFFFAOYSA-N 1 0 311.473 4.263 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC001474144328 1061690380 /nfs/dbraw/zinc/69/03/80/1061690380.db2.gz LBANGQRHMWSDKZ-UHFFFAOYSA-N 1 0 311.425 4.330 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(OC)c(OC)cc2C)CCCC1 ZINC001474145113 1061690870 /nfs/dbraw/zinc/69/08/70/1061690870.db2.gz JPRPZJXUPFRZNM-UHFFFAOYSA-N 1 0 303.446 4.238 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC3CCC2CC3)ccc1OC ZINC001474156956 1061697832 /nfs/dbraw/zinc/69/78/32/1061697832.db2.gz JWUCKSMVKRRSQF-VMWRSERWSA-N 1 0 315.457 4.318 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(CC)(CC)OC)cc1Cl ZINC001474163362 1061706785 /nfs/dbraw/zinc/70/67/85/1061706785.db2.gz ROZBBRCYHORKDR-UHFFFAOYSA-N 1 0 311.853 4.200 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC001474163569 1061708170 /nfs/dbraw/zinc/70/81/70/1061708170.db2.gz ZIYGEVAZWJDTLS-HXUWFJFHSA-N 1 0 305.421 4.174 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCc3ccc(C)cc32)cc1 ZINC001474166246 1061712572 /nfs/dbraw/zinc/71/25/72/1061712572.db2.gz ZJLNCHCIDVYXBK-NRFANRHFSA-N 1 0 305.421 4.174 20 30 DIEDRO C=C(CC)C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001474178727 1061723343 /nfs/dbraw/zinc/72/33/43/1061723343.db2.gz PXUVJWXSSIUMEX-UHFFFAOYSA-N 1 0 309.335 4.151 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(-c2ccc(CCC)cc2)cc1 ZINC001465340882 1061735396 /nfs/dbraw/zinc/73/53/96/1061735396.db2.gz CMWKKRROZCCBHT-UHFFFAOYSA-N 1 0 322.452 4.362 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC001474190715 1061738919 /nfs/dbraw/zinc/73/89/19/1061738919.db2.gz BATAUKZNUJOCMK-ICSRJNTNSA-N 1 0 304.437 4.381 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001465358509 1061741615 /nfs/dbraw/zinc/74/16/15/1061741615.db2.gz CLXFYPPXHOQXIC-KRWDZBQOSA-N 1 0 322.880 4.051 20 30 DIEDRO C=CCCSCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001474201936 1061755116 /nfs/dbraw/zinc/75/51/16/1061755116.db2.gz BDVZSAMTZJJDMP-UHFFFAOYSA-N 1 0 321.877 4.129 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001474202875 1061757839 /nfs/dbraw/zinc/75/78/39/1061757839.db2.gz ZBMLJTKHMMDDDE-UHFFFAOYSA-N 1 0 321.486 4.041 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC001474204848 1061759665 /nfs/dbraw/zinc/75/96/65/1061759665.db2.gz QGIVNTXRGVQDDS-HZPDHXFCSA-N 1 0 317.473 4.422 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC001474208296 1061761779 /nfs/dbraw/zinc/76/17/79/1061761779.db2.gz ZCOIZGFFQMDCPW-NVXWUHKLSA-N 1 0 318.461 4.033 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nccc(C)c1Br ZINC001474207953 1061763387 /nfs/dbraw/zinc/76/33/87/1061763387.db2.gz MELCNXNQWAWSNE-ZIAGYGMSSA-N 1 0 323.278 4.377 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CCC1CCOCC1 ZINC001252978411 1061769221 /nfs/dbraw/zinc/76/92/21/1061769221.db2.gz BDFQDHBMBCWJOG-LJQANCHMSA-N 1 0 313.526 4.284 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cc(C)ccn1 ZINC001252979886 1061770830 /nfs/dbraw/zinc/77/08/30/1061770830.db2.gz HJMMDZRVHYHHTL-IBGZPJMESA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@H+](C)Cc1cnc(C)nc1 ZINC001252982548 1061771797 /nfs/dbraw/zinc/77/17/97/1061771797.db2.gz HEOYRMHOPOAQJO-IBGZPJMESA-N 1 0 321.509 4.109 20 30 DIEDRO CCCCCCCCCC[C@H](O)CN1CC[NH+](C2CCC2)CC1 ZINC001252980855 1061773572 /nfs/dbraw/zinc/77/35/72/1061773572.db2.gz ZUDLINOTBKWMDZ-FQEVSTJZSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC001252986607 1061775136 /nfs/dbraw/zinc/77/51/36/1061775136.db2.gz NJXINEZJFNPZQR-GUDVDZBRSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@@](C)(O)CC1 ZINC001252983794 1061775316 /nfs/dbraw/zinc/77/53/16/1061775316.db2.gz ZVKMOECBCWFRCV-QRVBRYPASA-N 1 0 313.526 4.161 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@H+](C)Cc1cc(C)nn1C ZINC001252984455 1061776470 /nfs/dbraw/zinc/77/64/70/1061776470.db2.gz IKCMXYVLCUJVJA-LJQANCHMSA-N 1 0 323.525 4.052 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)ccc1C#N ZINC001474218889 1061778024 /nfs/dbraw/zinc/77/80/24/1061778024.db2.gz RQBSSYOCYSPEHC-OAQYLSRUSA-N 1 0 304.437 4.324 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC001474225360 1061786391 /nfs/dbraw/zinc/78/63/91/1061786391.db2.gz FFISVUKUNKBKBP-CYBMUJFWSA-N 1 0 321.873 4.381 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2CCC3(CC3)CC2)cc(OC)c1O ZINC001474225271 1061786412 /nfs/dbraw/zinc/78/64/12/1061786412.db2.gz ADEUOCFLSDGTGU-UHFFFAOYSA-N 1 0 315.457 4.189 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2CCC(OC(C)(C)C)CC2)c1 ZINC001474231114 1061791464 /nfs/dbraw/zinc/79/14/64/1061791464.db2.gz SJQDCGSWNHPMPM-UHFFFAOYSA-N 1 0 317.473 4.467 20 30 DIEDRO CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1csc(C#N)c1 ZINC001474230313 1061792866 /nfs/dbraw/zinc/79/28/66/1061792866.db2.gz KOUVVMHEPDQFAW-MRXNPFEDSA-N 1 0 323.465 4.222 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@](C)(Cc2ccccc2)C(C)C)cc1 ZINC001474236005 1061797558 /nfs/dbraw/zinc/79/75/58/1061797558.db2.gz LHDLWTWDSIWZEI-JOCHJYFZSA-N 1 0 321.464 4.446 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001474246913 1061812664 /nfs/dbraw/zinc/81/26/64/1061812664.db2.gz KOFKEWJKMXGYKF-LJQANCHMSA-N 1 0 315.844 4.424 20 30 DIEDRO C=C(CC(C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001465803728 1061814023 /nfs/dbraw/zinc/81/40/23/1061814023.db2.gz WUXUPDVBHYYNPG-SFHVURJKSA-N 1 0 320.521 4.092 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2ccc(Cl)c(Cl)c2)cc1 ZINC001474265435 1061831814 /nfs/dbraw/zinc/83/18/14/1061831814.db2.gz YWVBDEFPXSWPEX-UHFFFAOYSA-N 1 0 304.220 4.307 20 30 DIEDRO C=CCCCCCC[C@@H](O)CN(CCC#N)Cc1ccccc1 ZINC001253226700 1061832501 /nfs/dbraw/zinc/83/25/01/1061832501.db2.gz ACEJQRYDHPFJLX-HXUWFJFHSA-N 1 0 314.473 4.290 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(O)c1Cl ZINC001474274445 1061841728 /nfs/dbraw/zinc/84/17/28/1061841728.db2.gz CPISCXSOLNETCD-UHFFFAOYSA-N 1 0 314.816 4.028 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC001253241277 1061842456 /nfs/dbraw/zinc/84/24/56/1061842456.db2.gz SPPSUAGCUJKKEA-VQTJNVASSA-N 1 0 316.489 4.414 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCC1 ZINC001474276776 1061845076 /nfs/dbraw/zinc/84/50/76/1061845076.db2.gz KVSRTXCZQRGLLN-UHFFFAOYSA-N 1 0 301.739 4.394 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001474278635 1061846449 /nfs/dbraw/zinc/84/64/49/1061846449.db2.gz ZEHPKXWYSAATRR-LUKYLMHMSA-N 1 0 322.493 4.014 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)c1nc2ccccc2[nH]1 ZINC001253245634 1061847017 /nfs/dbraw/zinc/84/70/17/1061847017.db2.gz ADJTYDRZUBFPOS-CVEARBPZSA-N 1 0 315.461 4.101 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001253247764 1061850052 /nfs/dbraw/zinc/85/00/52/1061850052.db2.gz LGZCOAKPBXXDOU-SFHVURJKSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC001253249630 1061850304 /nfs/dbraw/zinc/85/03/04/1061850304.db2.gz LMGQLXJVIKCJKD-IEBWSBKVSA-N 1 0 304.478 4.256 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cnc2ccccc2c1 ZINC001253247806 1061851290 /nfs/dbraw/zinc/85/12/90/1061851290.db2.gz MCYSRLFQMOGLOA-IBGZPJMESA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC001253247473 1061852058 /nfs/dbraw/zinc/85/20/58/1061852058.db2.gz ZNPYDQFNHCKRSF-SJLPKXTDSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1CC(c2ccccc2)C1 ZINC001253250700 1061853477 /nfs/dbraw/zinc/85/34/77/1061853477.db2.gz DAQSUYGJHPHCAM-MHJFOBGBSA-N 1 0 301.474 4.410 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC001253251528 1061853595 /nfs/dbraw/zinc/85/35/95/1061853595.db2.gz MAFCGGXVYBKQEG-VQIMIIECSA-N 1 0 317.473 4.160 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001253251516 1061853652 /nfs/dbraw/zinc/85/36/52/1061853652.db2.gz LXKOGYXQFRKZPH-CEXWTWQISA-N 1 0 305.437 4.159 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC001253252064 1061854802 /nfs/dbraw/zinc/85/48/02/1061854802.db2.gz QQRIUBAMKYQVCP-FXAWDEMLSA-N 1 0 319.489 4.190 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC1(CC2CC2)CCOCC1 ZINC001253253176 1061855405 /nfs/dbraw/zinc/85/54/05/1061855405.db2.gz CXNJAHNIWHNAMW-LJQANCHMSA-N 1 0 323.521 4.060 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2ccn(C)c2c1 ZINC001253253496 1061856427 /nfs/dbraw/zinc/85/64/27/1061856427.db2.gz HGFPGAREKZAIDH-LJQANCHMSA-N 1 0 314.473 4.155 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC001253254892 1061856449 /nfs/dbraw/zinc/85/64/49/1061856449.db2.gz VCLYFJKLXWSKOM-RBUKOAKNSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001253255697 1061856961 /nfs/dbraw/zinc/85/69/61/1061856961.db2.gz ZWCXSDKZKYXNJU-HZPDHXFCSA-N 1 0 315.448 4.432 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(Cc2ccccn2)CCC1 ZINC001253255109 1061857821 /nfs/dbraw/zinc/85/78/21/1061857821.db2.gz WEHJVLBZASCHJE-IBGZPJMESA-N 1 0 316.489 4.024 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1cccnc1C)C1CC1 ZINC001253254904 1061858315 /nfs/dbraw/zinc/85/83/15/1061858315.db2.gz VLWOFJIPHHHQMU-ICSRJNTNSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1([C@H]2CCOC(C)(C)C2)CC1 ZINC001253257628 1061859305 /nfs/dbraw/zinc/85/93/05/1061859305.db2.gz ZTAGWPHGUNTECD-ZWKOTPCHSA-N 1 0 323.521 4.201 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](CCC)c1ccncc1 ZINC001253256424 1061860384 /nfs/dbraw/zinc/86/03/84/1061860384.db2.gz XQDAAHOYFRYJEZ-RBUKOAKNSA-N 1 0 304.478 4.400 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC001474300036 1061869550 /nfs/dbraw/zinc/86/95/50/1061869550.db2.gz QZCMVMNQGVZJKX-PMACEKPBSA-N 1 0 318.464 4.456 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001474300041 1061869664 /nfs/dbraw/zinc/86/96/64/1061869664.db2.gz QZCMVMNQGVZJKX-WOJBJXKFSA-N 1 0 318.464 4.456 20 30 DIEDRO C=CCCn1cc(C[N@@H+](CC2CCC2)[C@H](C)c2ccccc2)nn1 ZINC001474317200 1061890298 /nfs/dbraw/zinc/89/02/98/1061890298.db2.gz JYDFNTXKVNODMY-QGZVFWFLSA-N 1 0 324.472 4.218 20 30 DIEDRO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C(C)C)ccc1O ZINC001474339406 1061935300 /nfs/dbraw/zinc/93/53/00/1061935300.db2.gz QJMYHPUQFKNDAC-UHFFFAOYSA-N 1 0 311.400 4.290 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC001474339284 1061935426 /nfs/dbraw/zinc/93/54/26/1061935426.db2.gz HRQGDBYVMZNZEN-HOCLYGCPSA-N 1 0 306.837 4.123 20 30 DIEDRO COc1ccc(C[C@@H](C)C[N@H+](CCC#N)CC(C)(C)C)cc1F ZINC001474339924 1061936258 /nfs/dbraw/zinc/93/62/58/1061936258.db2.gz RGRZTMREMDVBSR-OAHLLOKOSA-N 1 0 320.452 4.275 20 30 DIEDRO CC[N@H+](CC1(OC)CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC001474369506 1062001130 /nfs/dbraw/zinc/00/11/30/1062001130.db2.gz HPSLVGDNBBCCRQ-INIZCTEOSA-N 1 0 300.446 4.290 20 30 DIEDRO N#Cc1cc(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)cs1 ZINC001474367633 1062003368 /nfs/dbraw/zinc/00/33/68/1062003368.db2.gz JJOSOAMQSVOMPO-KRWDZBQOSA-N 1 0 314.429 4.356 20 30 DIEDRO CC[N@H+](Cc1ccc2c(c1)CCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC001474370622 1062008686 /nfs/dbraw/zinc/00/86/86/1062008686.db2.gz YEVAPPLKYRFBQM-INIZCTEOSA-N 1 0 320.436 4.466 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC001254109873 1062027223 /nfs/dbraw/zinc/02/72/23/1062027223.db2.gz JTXCGBAGLLRWEI-FQEVSTJZSA-N 1 0 306.409 4.220 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC001254185031 1062041085 /nfs/dbraw/zinc/04/10/85/1062041085.db2.gz TYWWSAICQMYOPI-LBPRGKRZSA-N 1 0 318.779 4.060 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccnn1-c1ccccc1C ZINC001474392223 1062046031 /nfs/dbraw/zinc/04/60/31/1062046031.db2.gz UWRRTCJEIYFRSE-UHFFFAOYSA-N 1 0 321.424 4.004 20 30 DIEDRO C[C@@H]([NH2+]CCc1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC001254216338 1062052483 /nfs/dbraw/zinc/05/24/83/1062052483.db2.gz QCIDKEMZKMFXEQ-LLVKDONJSA-N 1 0 320.770 4.383 20 30 DIEDRO C[N@H+](Cc1cc2c(cccc2O)s1)Cc1cccc(C#N)c1 ZINC001474401938 1062057125 /nfs/dbraw/zinc/05/71/25/1062057125.db2.gz YXUBRQVFNUGLAF-UHFFFAOYSA-N 1 0 308.406 4.111 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC001254311661 1062075927 /nfs/dbraw/zinc/07/59/27/1062075927.db2.gz IKXFXTMVYLWTCZ-HNNXBMFYSA-N 1 0 310.482 4.063 20 30 DIEDRO Cc1ccncc1C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345331 1062080951 /nfs/dbraw/zinc/08/09/51/1062080951.db2.gz XQLDLSUFXUKWHN-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CC2CCCC2)CC1 ZINC001254341049 1062081967 /nfs/dbraw/zinc/08/19/67/1062081967.db2.gz COHHJXMYWBSEIM-UHFFFAOYSA-N 1 0 300.421 4.309 20 30 DIEDRO CC1CC(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254342723 1062082424 /nfs/dbraw/zinc/08/24/24/1062082424.db2.gz RXHRVBHLFQFRAU-UHFFFAOYSA-N 1 0 300.421 4.165 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC001254342705 1062082604 /nfs/dbraw/zinc/08/26/04/1062082604.db2.gz RQJXXSXQPWKZIC-AQFXKWCLSA-N 1 0 322.374 4.307 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)c(C)c1 ZINC001459309439 1062082779 /nfs/dbraw/zinc/08/27/79/1062082779.db2.gz KZSWHJNMZUUVMX-UHFFFAOYSA-N 1 0 321.468 4.345 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC001254342517 1062082719 /nfs/dbraw/zinc/08/27/19/1062082719.db2.gz PYLQIXJIYCBHGR-TXQGORRRSA-N 1 0 318.411 4.400 20 30 DIEDRO CC1(C)CCC[N@@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254352534 1062083870 /nfs/dbraw/zinc/08/38/70/1062083870.db2.gz AWCMYQBOUJMILR-UHFFFAOYSA-N 1 0 300.421 4.404 20 30 DIEDRO CC1(C)[C@@H]2C[N@H+](C3CCC(C#N)(c4ccc(F)cc4)CC3)C[C@@H]21 ZINC001254355361 1062084230 /nfs/dbraw/zinc/08/42/30/1062084230.db2.gz FGWCEYYJLGRDOB-OYBTXZFASA-N 1 0 312.432 4.117 20 30 DIEDRO C[C@]1(CF)CC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353255 1062084640 /nfs/dbraw/zinc/08/46/40/1062084640.db2.gz YABBHVYLJUDUBJ-JLAWEPINSA-N 1 0 318.411 4.211 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001474421627 1062094875 /nfs/dbraw/zinc/09/48/75/1062094875.db2.gz LHVNJCKBERJLCN-YSIASYRMSA-N 1 0 300.490 4.231 20 30 DIEDRO CC[N@H+](C[C@@H]1CCCC2(CCC2)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC001459355274 1062108513 /nfs/dbraw/zinc/10/85/13/1062108513.db2.gz WOIFSRBVPOOJEJ-LPHOPBHVSA-N 1 0 312.457 4.433 20 30 DIEDRO CCCCCCCC[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC001459357498 1062111533 /nfs/dbraw/zinc/11/15/33/1062111533.db2.gz NLAZUOVRKIZCRD-UHFFFAOYSA-N 1 0 319.489 4.465 20 30 DIEDRO C[C@H](CC1CCCC1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001474436778 1062115146 /nfs/dbraw/zinc/11/51/46/1062115146.db2.gz NXOUJNSGCPQQAZ-OAHLLOKOSA-N 1 0 322.456 4.017 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](CCc1ccccc1)C(C)C ZINC001459372218 1062116387 /nfs/dbraw/zinc/11/63/87/1062116387.db2.gz RMUUJEUWPOGVBJ-UHFFFAOYSA-N 1 0 308.425 4.020 20 30 DIEDRO C#CC[N@@H+](CCCOc1cccc(Cl)c1)C1CCCCC1 ZINC001459394169 1062126902 /nfs/dbraw/zinc/12/69/02/1062126902.db2.gz UXANXEIZJLCXNQ-UHFFFAOYSA-N 1 0 305.849 4.377 20 30 DIEDRO C=CC[N@@H+](CC[C@@H]1CCCC1(F)F)Cc1cccc(C#N)c1 ZINC001459398388 1062127244 /nfs/dbraw/zinc/12/72/44/1062127244.db2.gz KTSZGGIFVPEEEG-KRWDZBQOSA-N 1 0 304.384 4.372 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1cccc(C#N)c1 ZINC001459394691 1062127818 /nfs/dbraw/zinc/12/78/18/1062127818.db2.gz FCPBPPSGYCHWHB-MRXNPFEDSA-N 1 0 301.393 4.179 20 30 DIEDRO C#CCCCCCC[N@H+]1CCc2c(Br)cccc2C1 ZINC001459420013 1062139425 /nfs/dbraw/zinc/13/94/25/1062139425.db2.gz OQQDZKWEKWTOSQ-UHFFFAOYSA-N 1 0 320.274 4.391 20 30 DIEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC001474482749 1062160405 /nfs/dbraw/zinc/16/04/05/1062160405.db2.gz HIYZRRXDSMXKPG-CRAIPNDOSA-N 1 0 308.400 4.384 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)CC1CCCCC1 ZINC001459490556 1062164594 /nfs/dbraw/zinc/16/45/94/1062164594.db2.gz SVQGGDRAFBBRHE-UHFFFAOYSA-N 1 0 314.473 4.310 20 30 DIEDRO C=CC[N@@H+](C[C@H](O)c1cccc(Cl)c1)CC1CCCCC1 ZINC001459492208 1062165765 /nfs/dbraw/zinc/16/57/65/1062165765.db2.gz VFSZTWWEPOMTIX-SFHVURJKSA-N 1 0 307.865 4.442 20 30 DIEDRO CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001459496248 1062168885 /nfs/dbraw/zinc/16/88/85/1062168885.db2.gz YYTGKZIWMRYHKO-ZDUSSCGKSA-N 1 0 308.372 4.172 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001254547620 1062170365 /nfs/dbraw/zinc/17/03/65/1062170365.db2.gz CRPTUKYQUFNZMU-MAUKXSAKSA-N 1 0 310.397 4.433 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC001467644703 1062171529 /nfs/dbraw/zinc/17/15/29/1062171529.db2.gz OSMKOVUZBXTISO-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001459528922 1062186436 /nfs/dbraw/zinc/18/64/36/1062186436.db2.gz PNWTXODDJCZTQX-UHFFFAOYSA-N 1 0 315.457 4.069 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC001459544592 1062195601 /nfs/dbraw/zinc/19/56/01/1062195601.db2.gz YZZZGGJPZRYLNB-UHFFFAOYSA-N 1 0 309.837 4.289 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC001254612920 1062198472 /nfs/dbraw/zinc/19/84/72/1062198472.db2.gz PTKWRXKLNUVANA-HNNXBMFYSA-N 1 0 323.415 4.017 20 30 DIEDRO C=CCC1(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C)C2)CCCC1 ZINC001474521480 1062204854 /nfs/dbraw/zinc/20/48/54/1062204854.db2.gz MLCOGDXEVOCGDX-ZACQAIPSSA-N 1 0 307.478 4.080 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C1 ZINC001254638424 1062211404 /nfs/dbraw/zinc/21/14/04/1062211404.db2.gz XXOYAVHVTOZSMH-ROUUACIJSA-N 1 0 306.409 4.303 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC001254643788 1062212799 /nfs/dbraw/zinc/21/27/99/1062212799.db2.gz MZYCSOQYSUEEKR-DJSGYFEHSA-N 1 0 319.246 4.108 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)cc1 ZINC001474531451 1062214366 /nfs/dbraw/zinc/21/43/66/1062214366.db2.gz BMKJHWPTZJMESJ-UHFFFAOYSA-N 1 0 305.421 4.190 20 30 DIEDRO CC[C@@]1(C)CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001459567653 1062218063 /nfs/dbraw/zinc/21/80/63/1062218063.db2.gz WBLFKHBUIIVEER-KRWDZBQOSA-N 1 0 308.372 4.172 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC001254657626 1062219363 /nfs/dbraw/zinc/21/93/63/1062219363.db2.gz QXQNZIKJFJBYNG-GOEBONIOSA-N 1 0 322.374 4.452 20 30 DIEDRO C#CCN(C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC001474533271 1062219621 /nfs/dbraw/zinc/21/96/21/1062219621.db2.gz XZYUZWREAGVEQD-JOCHJYFZSA-N 1 0 324.512 4.022 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC001254658544 1062220406 /nfs/dbraw/zinc/22/04/06/1062220406.db2.gz WMPYWNFJEYGSRK-BXUZGUMPSA-N 1 0 317.845 4.245 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC001254657630 1062221047 /nfs/dbraw/zinc/22/10/47/1062221047.db2.gz QXQNZIKJFJBYNG-ZBFHGGJFSA-N 1 0 322.374 4.452 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)cc1 ZINC001474535303 1062220923 /nfs/dbraw/zinc/22/09/23/1062220923.db2.gz UATYJMRWLYAJDO-UNMCSNQZSA-N 1 0 319.448 4.299 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001459577856 1062221769 /nfs/dbraw/zinc/22/17/69/1062221769.db2.gz OVRNRERSHRQWAG-YWZLYKJASA-N 1 0 308.400 4.323 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C1 ZINC001254660985 1062224352 /nfs/dbraw/zinc/22/43/52/1062224352.db2.gz NXIUSRWDMQSMFC-WMZOPIPTSA-N 1 0 302.849 4.287 20 30 DIEDRO N#C[C@H]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001254674286 1062225518 /nfs/dbraw/zinc/22/55/18/1062225518.db2.gz WPLFCZKPBQZUMF-XJKSGUPXSA-N 1 0 311.404 4.112 20 30 DIEDRO C=CCCCCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC001459581224 1062225757 /nfs/dbraw/zinc/22/57/57/1062225757.db2.gz OUBACOSVMQZNEG-HXUWFJFHSA-N 1 0 301.474 4.495 20 30 DIEDRO N#C[C@@H]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001254674285 1062226601 /nfs/dbraw/zinc/22/66/01/1062226601.db2.gz WPLFCZKPBQZUMF-CZUORRHYSA-N 1 0 311.404 4.112 20 30 DIEDRO N#C[C@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254673923 1062226891 /nfs/dbraw/zinc/22/68/91/1062226891.db2.gz REGUZJRTGBLZQL-SYEQVDHESA-N 1 0 321.251 4.259 20 30 DIEDRO N#C[C@H]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cc(F)ccc32)C1 ZINC001254673521 1062227240 /nfs/dbraw/zinc/22/72/40/1062227240.db2.gz MEAFDEBPBLFEIX-BBRMVZONSA-N 1 0 311.404 4.112 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1C[C@H](OCCCC)C1(C)C)c1ccc(F)cc1 ZINC001474543888 1062235300 /nfs/dbraw/zinc/23/53/00/1062235300.db2.gz HKYGCVWMXQBNKG-BZSNNMDCSA-N 1 0 303.421 4.073 20 30 DIEDRO C#C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(Br)cc1 ZINC001474545243 1062240526 /nfs/dbraw/zinc/24/05/26/1062240526.db2.gz CHINOXDZHJKWQB-CJNGLKHVSA-N 1 0 304.231 4.069 20 30 DIEDRO CCCCCCC[NH2+][C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254761527 1062244696 /nfs/dbraw/zinc/24/46/96/1062244696.db2.gz MZHAMPIOTDVGDV-INIZCTEOSA-N 1 0 324.509 4.336 20 30 DIEDRO Clc1ccc(CC2([NH2+]CC#Cc3ccccc3)CCC2)cc1 ZINC001474549989 1062247212 /nfs/dbraw/zinc/24/72/12/1062247212.db2.gz GIAGXOKYVYPUCX-UHFFFAOYSA-N 1 0 309.840 4.447 20 30 DIEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001459623587 1062256454 /nfs/dbraw/zinc/25/64/54/1062256454.db2.gz MCQWWUVKZABWLC-JOCHJYFZSA-N 1 0 318.464 4.446 20 30 DIEDRO CC(C)[C@@H](C[NH+]1CC(Oc2ccc(C#N)cc2)C1)c1ccccc1 ZINC001474569513 1062276036 /nfs/dbraw/zinc/27/60/36/1062276036.db2.gz CDFKAJRUGYXYLU-OAQYLSRUSA-N 1 0 320.436 4.061 20 30 DIEDRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(C#N)CCC1 ZINC001474585534 1062295659 /nfs/dbraw/zinc/29/56/59/1062295659.db2.gz WBTZJIYESONVRX-HNNXBMFYSA-N 1 0 310.363 4.310 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)cc1 ZINC001474587186 1062297729 /nfs/dbraw/zinc/29/77/29/1062297729.db2.gz ZUTMMDSVECZYNH-IBGZPJMESA-N 1 0 311.375 4.153 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001255018808 1062301746 /nfs/dbraw/zinc/30/17/46/1062301746.db2.gz KXOHIINOJAHXRR-LPHOPBHVSA-N 1 0 311.425 4.117 20 30 DIEDRO CCCCCCCC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001459701310 1062318235 /nfs/dbraw/zinc/31/82/35/1062318235.db2.gz PNUKMAGHPGBJAC-UHFFFAOYSA-N 1 0 312.404 4.196 20 30 DIEDRO CC(C)[N@H+](CCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC001459718478 1062334914 /nfs/dbraw/zinc/33/49/14/1062334914.db2.gz LKVQFWPPEZFKFS-UHFFFAOYSA-N 1 0 300.446 4.370 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CC1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001255160244 1062345380 /nfs/dbraw/zinc/34/53/80/1062345380.db2.gz GDEWCQADBGMFNF-MRXNPFEDSA-N 1 0 321.415 4.102 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CC1c2ccccc2CCc2ccccc21 ZINC001255158841 1062345614 /nfs/dbraw/zinc/34/56/14/1062345614.db2.gz NNFASQATFOYBCC-SFHVURJKSA-N 1 0 304.437 4.199 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC001459733777 1062345462 /nfs/dbraw/zinc/34/54/62/1062345462.db2.gz KXJMHYFLCMGLGU-MOPGFXCFSA-N 1 0 314.473 4.168 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CC1c2ccccc2CCc2ccccc21 ZINC001255158835 1062346716 /nfs/dbraw/zinc/34/67/16/1062346716.db2.gz NNFASQATFOYBCC-GOSISDBHSA-N 1 0 304.437 4.199 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC001474623279 1062346969 /nfs/dbraw/zinc/34/69/69/1062346969.db2.gz MLRKCAKJDFPBGU-KBAYOESNSA-N 1 0 317.473 4.446 20 30 DIEDRO CC[C@H](CC#N)[NH2+]C1(c2cccc(OC)c2)CCC(F)(F)CC1 ZINC001255162476 1062348557 /nfs/dbraw/zinc/34/85/57/1062348557.db2.gz QRKKKSQHUNUHFB-OAHLLOKOSA-N 1 0 322.399 4.382 20 30 DIEDRO CC[C@@H](CC#N)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC001255166048 1062349293 /nfs/dbraw/zinc/34/92/93/1062349293.db2.gz GKUXDKHRDZVHER-INIZCTEOSA-N 1 0 321.262 4.321 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]C1(Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001255162753 1062350586 /nfs/dbraw/zinc/35/05/86/1062350586.db2.gz YCMJTWDWGDVMMK-HNNXBMFYSA-N 1 0 310.363 4.452 20 30 DIEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC001459749157 1062357281 /nfs/dbraw/zinc/35/72/81/1062357281.db2.gz WFFVTKMYEGARQS-CABCVRRESA-N 1 0 302.487 4.003 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1(C#N)CCCCC1 ZINC001474631967 1062358587 /nfs/dbraw/zinc/35/85/87/1062358587.db2.gz QGNRABHYJDSZAV-AWEZNQCLSA-N 1 0 306.400 4.350 20 30 DIEDRO C=CC[N@@H+]([C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(C)(C)C ZINC001255248913 1062365850 /nfs/dbraw/zinc/36/58/50/1062365850.db2.gz OQWWZIWRVRNDSR-ZSHCYNCHSA-N 1 0 322.493 4.203 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001474641418 1062368808 /nfs/dbraw/zinc/36/88/08/1062368808.db2.gz LUYPYMUJSASVNK-MOPIXIDXSA-N 1 0 308.469 4.416 20 30 DIEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459760473 1062372131 /nfs/dbraw/zinc/37/21/31/1062372131.db2.gz MSZVOUVZNZBLHA-OCCSQVGLSA-N 1 0 312.240 4.248 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCC(C)(C)CC1)C2 ZINC001255304167 1062383818 /nfs/dbraw/zinc/38/38/18/1062383818.db2.gz HKYUSPGYFPPXHI-UYAOXDASSA-N 1 0 321.505 4.029 20 30 DIEDRO C#CCCCCCC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC001459772024 1062385554 /nfs/dbraw/zinc/38/55/54/1062385554.db2.gz BVAIQQZDYNVZTN-UHFFFAOYSA-N 1 0 317.448 4.390 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)CC1CC1 ZINC001459778707 1062391040 /nfs/dbraw/zinc/39/10/40/1062391040.db2.gz TUSNQQREFVCUPO-UHFFFAOYSA-N 1 0 323.411 4.250 20 30 DIEDRO C=CCOCC[N@H+]1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC001459788478 1062399499 /nfs/dbraw/zinc/39/94/99/1062399499.db2.gz UADWVFXZFATSKU-PGRDOPGGSA-N 1 0 321.464 4.268 20 30 DIEDRO C=CCOCC[N@H+]1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC001459788480 1062399822 /nfs/dbraw/zinc/39/98/22/1062399822.db2.gz UADWVFXZFATSKU-XMSQKQJNSA-N 1 0 321.464 4.268 20 30 DIEDRO C=CCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459794058 1062404302 /nfs/dbraw/zinc/40/43/02/1062404302.db2.gz BBTQCNVVQNQOEY-SJPCQFCGSA-N 1 0 322.493 4.205 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC001474676312 1062404892 /nfs/dbraw/zinc/40/48/92/1062404892.db2.gz LFHCVLPWBWEKHK-GUDVDZBRSA-N 1 0 315.457 4.233 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC2CCC(C#N)CC2)c1 ZINC001459812259 1062415391 /nfs/dbraw/zinc/41/53/91/1062415391.db2.gz DEJYHERWKHNQGL-MVBPIPQGSA-N 1 0 312.457 4.408 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1CCCOc2c(OC)cccc21 ZINC001474687831 1062418340 /nfs/dbraw/zinc/41/83/40/1062418340.db2.gz OEHJTOXYKQQZRW-QGZVFWFLSA-N 1 0 301.430 4.082 20 30 DIEDRO Cc1ccccc1OCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001459818381 1062424840 /nfs/dbraw/zinc/42/48/40/1062424840.db2.gz JQDBUZDAIWCKFA-UHFFFAOYSA-N 1 0 320.436 4.300 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cc(Cl)ccc1OC(F)F ZINC001459824050 1062428014 /nfs/dbraw/zinc/42/80/14/1062428014.db2.gz GBJCAHPWGGMTHS-VHSXEESVSA-N 1 0 302.752 4.284 20 30 DIEDRO CCCCCCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC001459827939 1062430224 /nfs/dbraw/zinc/43/02/24/1062430224.db2.gz ZFVFVVRJBANGIG-LJQANCHMSA-N 1 0 303.446 4.469 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001474737961 1062454137 /nfs/dbraw/zinc/45/41/37/1062454137.db2.gz FCFYXXPWCFQBTN-CKHPTIKVSA-N 1 0 319.452 4.427 20 30 DIEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC001459859202 1062455701 /nfs/dbraw/zinc/45/57/01/1062455701.db2.gz QKONQDUJTOHZPA-PKOBYXMFSA-N 1 0 314.473 4.117 20 30 DIEDRO Cc1cc([C@H]([NH2+]CCOc2cccc(C#N)c2)C2CC2)ccc1F ZINC001459871761 1062460230 /nfs/dbraw/zinc/46/02/30/1062460230.db2.gz RMVVRNVKZZGKNJ-HXUWFJFHSA-N 1 0 324.399 4.126 20 30 DIEDRO COC[C@@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001255581737 1062485540 /nfs/dbraw/zinc/48/55/40/1062485540.db2.gz NJQBRZDKFFPMGE-IAGOWNOFSA-N 1 0 308.425 4.156 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC001459929580 1062499814 /nfs/dbraw/zinc/49/98/14/1062499814.db2.gz FBBQGPIBEOITOK-HIFRSBDPSA-N 1 0 310.363 4.338 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1Cl ZINC001255698278 1062522701 /nfs/dbraw/zinc/52/27/01/1062522701.db2.gz AIQBAPYDYICMTF-QWHCGFSZSA-N 1 0 316.754 4.422 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(F)c(F)c1 ZINC001459980804 1062539837 /nfs/dbraw/zinc/53/98/37/1062539837.db2.gz QZBCDAHOLZEKHI-WMLDXEAASA-N 1 0 307.384 4.273 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[NH2+]Cc1csc(C#N)c1 ZINC001255734743 1062556532 /nfs/dbraw/zinc/55/65/32/1062556532.db2.gz STFGDYDYYAGMFU-LLVKDONJSA-N 1 0 306.431 4.029 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[NH2+]CCCCCCS ZINC001255739999 1062565694 /nfs/dbraw/zinc/56/56/94/1062565694.db2.gz MMBJXWHYAFEJGF-CYBMUJFWSA-N 1 0 301.496 4.386 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC001255740689 1062566585 /nfs/dbraw/zinc/56/65/85/1062566585.db2.gz PEHKIDIKFAJXAK-NSHDSACASA-N 1 0 306.431 4.029 20 30 DIEDRO COC[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC001460024343 1062577825 /nfs/dbraw/zinc/57/78/25/1062577825.db2.gz IQAOPUTXCVOCDD-KRWDZBQOSA-N 1 0 320.864 4.481 20 30 DIEDRO C#CCCC1(CC[NH2+][C@@H](C)CSc2ccc(C)cc2)N=N1 ZINC001255759793 1062582288 /nfs/dbraw/zinc/58/22/88/1062582288.db2.gz CZNIIFKNVZNITE-HNNXBMFYSA-N 1 0 301.459 4.031 20 30 DIEDRO CC(C)(C)[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001460025854 1062583401 /nfs/dbraw/zinc/58/34/01/1062583401.db2.gz ZKNGCLQTTYWUFS-KRWDZBQOSA-N 1 0 300.446 4.085 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCCC1(C)C ZINC001460032162 1062586246 /nfs/dbraw/zinc/58/62/46/1062586246.db2.gz LCUKRHYPGJSSOU-KRWDZBQOSA-N 1 0 313.401 4.033 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)CC1CCC(C(F)(F)F)CC1 ZINC001460067857 1062611646 /nfs/dbraw/zinc/61/16/46/1062611646.db2.gz DANLAMYQTXJLBF-UHFFFAOYSA-N 1 0 309.375 4.491 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001255842437 1062629211 /nfs/dbraw/zinc/62/92/11/1062629211.db2.gz SFIMKARBJXTMTG-QGZVFWFLSA-N 1 0 322.427 4.314 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001255869157 1062647034 /nfs/dbraw/zinc/64/70/34/1062647034.db2.gz YDLFMVSRURLFJY-QGZVFWFLSA-N 1 0 322.427 4.314 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCCCCC1)[C@H]2CC ZINC001255888307 1062660232 /nfs/dbraw/zinc/66/02/32/1062660232.db2.gz FGNBNOXQEMZIEC-ICSRJNTNSA-N 1 0 318.505 4.131 20 30 DIEDRO Cc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(F)cc1)C(C)(C)C2 ZINC001460144898 1062660688 /nfs/dbraw/zinc/66/06/88/1062660688.db2.gz MHZWIQURMRTWOF-UHFFFAOYSA-N 1 0 307.412 4.323 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC001460159404 1062670954 /nfs/dbraw/zinc/67/09/54/1062670954.db2.gz DXZIYXOIBKABMB-IBGZPJMESA-N 1 0 324.553 4.312 20 30 DIEDRO CC[NH+](CC)CC[C@@H](C)N(CCC#N)Cc1ccc(Cl)cc1 ZINC001255967754 1062674069 /nfs/dbraw/zinc/67/40/69/1062674069.db2.gz SDBFDWTYNAVWIS-MRXNPFEDSA-N 1 0 321.896 4.176 20 30 DIEDRO C[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)c2ccccc21 ZINC001460175265 1062678332 /nfs/dbraw/zinc/67/83/32/1062678332.db2.gz MGSGZYPFJUJBDL-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC001460195757 1062693516 /nfs/dbraw/zinc/69/35/16/1062693516.db2.gz YCSYMDBWHWQPNU-UHFFFAOYSA-N 1 0 324.468 4.407 20 30 DIEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2Cl)C1(C)C ZINC001460225817 1062708815 /nfs/dbraw/zinc/70/88/15/1062708815.db2.gz HUPHEAPMVFAWMN-JKSUJKDBSA-N 1 0 320.864 4.283 20 30 DIEDRO COc1cccc(C[C@@H](C)[N@H+](CCC#N)Cc2ccccc2)c1 ZINC001256157923 1062733958 /nfs/dbraw/zinc/73/39/58/1062733958.db2.gz YHNBHYKUEIJLAI-QGZVFWFLSA-N 1 0 308.425 4.042 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001256189902 1062745599 /nfs/dbraw/zinc/74/55/99/1062745599.db2.gz JFLKKMASFORYIT-KBPBESRZSA-N 1 0 321.262 4.006 20 30 DIEDRO CCC[N@H+](CCC#N)[C@H](C)Cc1cccc(Br)c1 ZINC001256189075 1062747138 /nfs/dbraw/zinc/74/71/38/1062747138.db2.gz YBOHWCKZJYNHRU-CYBMUJFWSA-N 1 0 309.251 4.006 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC001470297613 1062747071 /nfs/dbraw/zinc/74/70/71/1062747071.db2.gz PMEOOUJHQDVRTC-ROUUACIJSA-N 1 0 310.526 4.220 20 30 DIEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]CC(C)(C)S ZINC001256219922 1062748938 /nfs/dbraw/zinc/74/89/38/1062748938.db2.gz FKPBGXBUWXHNKE-NSHDSACASA-N 1 0 316.308 4.068 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)C1CCCCC1 ZINC001460278997 1062751392 /nfs/dbraw/zinc/75/13/92/1062751392.db2.gz PHAAPDBFVBVGDI-GFCCVEGCSA-N 1 0 321.262 4.379 20 30 DIEDRO C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001256229157 1062752813 /nfs/dbraw/zinc/75/28/13/1062752813.db2.gz MUWRNMWUYMJAIJ-ZFWWWQNUSA-N 1 0 321.262 4.006 20 30 DIEDRO CCC[N@H+](CCC#N)[C@@H](C)CCc1ccc(Br)cc1 ZINC001256226572 1062753422 /nfs/dbraw/zinc/75/34/22/1062753422.db2.gz PGXGGAJGCAZSPS-AWEZNQCLSA-N 1 0 323.278 4.396 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001256220836 1062753987 /nfs/dbraw/zinc/75/39/87/1062753987.db2.gz QIKMBYXINDCWMC-CJNGLKHVSA-N 1 0 308.263 4.162 20 30 DIEDRO CCCCCCCC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC001460297815 1062767695 /nfs/dbraw/zinc/76/76/95/1062767695.db2.gz YTODOZYFALQTTQ-UHFFFAOYSA-N 1 0 310.432 4.447 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc4ncccc34)CCC2)cc1 ZINC001460311795 1062775659 /nfs/dbraw/zinc/77/56/59/1062775659.db2.gz VDXBADGOFQCXQG-UHFFFAOYSA-N 1 0 313.404 4.275 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC001460367424 1062812799 /nfs/dbraw/zinc/81/27/99/1062812799.db2.gz OTMATVLMYGNHAV-IBGZPJMESA-N 1 0 312.457 4.229 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC001460366135 1062815024 /nfs/dbraw/zinc/81/50/24/1062815024.db2.gz XWYKIUFNRJEXTJ-NSHDSACASA-N 1 0 304.381 4.258 20 30 DIEDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001460399154 1062833282 /nfs/dbraw/zinc/83/32/82/1062833282.db2.gz CMHPUGLPPSLILN-VQTJNVASSA-N 1 0 320.436 4.046 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256477412 1062836168 /nfs/dbraw/zinc/83/61/68/1062836168.db2.gz AXDSMWGAESMLJN-CVEARBPZSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(C)(C)C ZINC001256491088 1062838848 /nfs/dbraw/zinc/83/88/48/1062838848.db2.gz VOODKVLBBZQRBM-CABCVRRESA-N 1 0 310.482 4.061 20 30 DIEDRO C=CCN(Cc1cc(F)c(C(F)(F)F)cc1F)[C@@H](C)COC ZINC001460408486 1062839377 /nfs/dbraw/zinc/83/93/77/1062839377.db2.gz MSZXRFUWPCSCFD-JTQLQIEISA-N 1 0 323.305 4.007 20 30 DIEDRO CC(C)([NH2+]CC#Cc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC001460410972 1062841337 /nfs/dbraw/zinc/84/13/37/1062841337.db2.gz XPCHTNYJMOXCER-UHFFFAOYSA-N 1 0 308.812 4.088 20 30 DIEDRO C=CCC1([NH2+]Cc2nc(-c3ccc(F)c(C)c3)no2)CCCC1 ZINC001460460278 1062865509 /nfs/dbraw/zinc/86/55/09/1062865509.db2.gz ZMHWRNQDZGLBNO-UHFFFAOYSA-N 1 0 315.392 4.163 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCc2ccccc2)nc1 ZINC001460488984 1062881344 /nfs/dbraw/zinc/88/13/44/1062881344.db2.gz SMLDMDOYWOADDI-BGYRXZFFSA-N 1 0 320.436 4.344 20 30 DIEDRO C[C@@H](C[NH+]1CCC(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC001460506685 1062888570 /nfs/dbraw/zinc/88/85/70/1062888570.db2.gz SZHDHOKGVXIIHC-INIZCTEOSA-N 1 0 311.473 4.349 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001460517312 1062890756 /nfs/dbraw/zinc/89/07/56/1062890756.db2.gz PPJUCQYTYGSCJC-HNNXBMFYSA-N 1 0 313.844 4.264 20 30 DIEDRO Cc1ccc(CCC[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC001460516905 1062893479 /nfs/dbraw/zinc/89/34/79/1062893479.db2.gz RJXGBOJVKUVJLW-UHFFFAOYSA-N 1 0 319.452 4.074 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572482 1062894346 /nfs/dbraw/zinc/89/43/46/1062894346.db2.gz SXUSKXUBEONFOU-UHFFFAOYSA-N 1 0 300.490 4.328 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC001460534010 1062902629 /nfs/dbraw/zinc/90/26/29/1062902629.db2.gz GZZXQXPUDYHUOH-GOSISDBHSA-N 1 0 306.498 4.446 20 30 DIEDRO Cc1cc(F)ccc1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001460548262 1062906313 /nfs/dbraw/zinc/90/63/13/1062906313.db2.gz ULNXBHJLYBEONK-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCc2c(cccc2OC)C1)c1ccccc1 ZINC001256642717 1062932063 /nfs/dbraw/zinc/93/20/63/1062932063.db2.gz QKLLZEAWUGJDMW-UYAOXDASSA-N 1 0 307.437 4.460 20 30 DIEDRO C=C(C)C[N@@H+](CC)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256673915 1062939391 /nfs/dbraw/zinc/93/93/91/1062939391.db2.gz IKVUPZYMFAVMEB-UHFFFAOYSA-N 1 0 310.482 4.063 20 30 DIEDRO CC(C)(C#N)CC[N@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC001460630430 1062949183 /nfs/dbraw/zinc/94/91/83/1062949183.db2.gz DXIGVZRAARUNAN-HXUWFJFHSA-N 1 0 322.452 4.162 20 30 DIEDRO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC001460664313 1062966910 /nfs/dbraw/zinc/96/69/10/1062966910.db2.gz AXQSFTIDPCKRRY-INIZCTEOSA-N 1 0 320.477 4.047 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001256793680 1062983391 /nfs/dbraw/zinc/98/33/91/1062983391.db2.gz RFSVORQNDRUYPQ-VQTJNVASSA-N 1 0 318.420 4.057 20 30 DIEDRO CCCC[N@H+](CCC#N)[C@H](C)Cc1ccccc1Br ZINC001256844686 1063014394 /nfs/dbraw/zinc/01/43/94/1063014394.db2.gz OZABQPIDQDNXGJ-CQSZACIVSA-N 1 0 323.278 4.396 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cc(C(=O)OC)co1)c1ccccc1 ZINC001460712004 1063007120 /nfs/dbraw/zinc/00/71/20/1063007120.db2.gz SKILGOVTKSYCNT-GOSISDBHSA-N 1 0 313.397 4.253 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001256843036 1063011715 /nfs/dbraw/zinc/01/17/15/1063011715.db2.gz AFUQEALNKJTXOX-UONOGXRCSA-N 1 0 321.262 4.006 20 30 DIEDRO C=CC(C)(C)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001471718494 1063013823 /nfs/dbraw/zinc/01/38/23/1063013823.db2.gz XRKOOPIROJVVDV-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO N#CC1CCC([NH2+]CCCc2ccccc2Br)CC1 ZINC001256957994 1063059559 /nfs/dbraw/zinc/05/95/59/1063059559.db2.gz QSBVHOLLGSDCRG-UHFFFAOYSA-N 1 0 321.262 4.054 20 30 DIEDRO N#CC1CCC([NH2+][C@H]2CCOc3cc(C(F)(F)F)ccc32)CC1 ZINC001256962273 1063061668 /nfs/dbraw/zinc/06/16/68/1063061668.db2.gz FJTUHAHDBMMDIW-HGMXIMQMSA-N 1 0 324.346 4.201 20 30 DIEDRO N#CC1CCC([NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)CC1 ZINC001256962766 1063061711 /nfs/dbraw/zinc/06/17/11/1063061711.db2.gz XDFPBHGFKASFJL-WHUJAJFLSA-N 1 0 312.457 4.186 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccc(Oc3ccccn3)cc2)CC1 ZINC001256962754 1063061730 /nfs/dbraw/zinc/06/17/30/1063061730.db2.gz WQPFRPJLASCDLJ-UHFFFAOYSA-N 1 0 307.397 4.046 20 30 DIEDRO COc1ccc(C[C@H]2CCC[N@@H+](C3CCC(C#N)CC3)C2)cc1 ZINC001256973735 1063064037 /nfs/dbraw/zinc/06/40/37/1063064037.db2.gz WQXGAPYLQVTJRI-JLAWEPINSA-N 1 0 312.457 4.032 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@@H+](C3CCC(C#N)CC3)C2)c1 ZINC001256972393 1063064303 /nfs/dbraw/zinc/06/43/03/1063064303.db2.gz XSUYWXRBONASIF-AVAKVYKDSA-N 1 0 312.457 4.032 20 30 DIEDRO N#CC1CCC([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001256972438 1063066491 /nfs/dbraw/zinc/06/64/91/1063066491.db2.gz YIIPXEBBUFPJOX-UHFFFAOYSA-N 1 0 324.346 4.026 20 30 DIEDRO C=CC[C@@H]([NH2+]C1CCC(CC(=O)OC)CC1)c1ccccc1 ZINC001256981451 1063068182 /nfs/dbraw/zinc/06/81/82/1063068182.db2.gz OVJJSYFEPBARMV-VMWRSERWSA-N 1 0 301.430 4.015 20 30 DIEDRO C#CCN(Cc1ccc(Br)cc1Cl)C(C)(C)C ZINC001460809237 1063073989 /nfs/dbraw/zinc/07/39/89/1063073989.db2.gz YBMYFVGNPWMNPK-UHFFFAOYSA-N 1 0 314.654 4.336 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)n1C ZINC001257011437 1063077846 /nfs/dbraw/zinc/07/78/46/1063077846.db2.gz NJJWYWUHBJAGND-UHFFFAOYSA-N 1 0 307.441 4.021 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CC(=O)c3ccccc3)CC2)cc1 ZINC001257010566 1063079100 /nfs/dbraw/zinc/07/91/00/1063079100.db2.gz CUDCEXFVEJYIKU-UHFFFAOYSA-N 1 0 318.420 4.057 20 30 DIEDRO C[C@]1(CF)CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016528 1063079632 /nfs/dbraw/zinc/07/96/32/1063079632.db2.gz FRXBITSFAJSHMO-CTWPCTMYSA-N 1 0 300.421 4.266 20 30 DIEDRO C[C@@]1(F)CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016435 1063080348 /nfs/dbraw/zinc/08/03/48/1063080348.db2.gz DGKPEIBNDHTRGV-CTWPCTMYSA-N 1 0 300.421 4.408 20 30 DIEDRO C#CC[N@H+](CCCc1ccncc1)[C@@H]1CCCc2ccccc21 ZINC001460840077 1063095406 /nfs/dbraw/zinc/09/54/06/1063095406.db2.gz YKWIVUADJPLOQY-OAQYLSRUSA-N 1 0 304.437 4.027 20 30 DIEDRO C[N@H+](CCCSCc1ccccc1)Cc1cc(C#N)cs1 ZINC001460851295 1063101347 /nfs/dbraw/zinc/10/13/47/1063101347.db2.gz SDKVMFLOFWCRFW-UHFFFAOYSA-N 1 0 316.495 4.375 20 30 DIEDRO Cc1cc(C)c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(C)n1 ZINC001460859794 1063106467 /nfs/dbraw/zinc/10/64/67/1063106467.db2.gz OIRIYCKUGCPYKS-UHFFFAOYSA-N 1 0 319.452 4.258 20 30 DIEDRO C=C(Br)C[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC001460874330 1063111535 /nfs/dbraw/zinc/11/15/35/1063111535.db2.gz SXGCEWDGUZMVDT-ZDUSSCGKSA-N 1 0 300.265 4.054 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC001460886155 1063114579 /nfs/dbraw/zinc/11/45/79/1063114579.db2.gz JNLRLWGVMOVIDQ-AWEZNQCLSA-N 1 0 306.837 4.018 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC001460886156 1063114850 /nfs/dbraw/zinc/11/48/50/1063114850.db2.gz JNLRLWGVMOVIDQ-CQSZACIVSA-N 1 0 306.837 4.018 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001257140705 1063120534 /nfs/dbraw/zinc/12/05/34/1063120534.db2.gz VTZCONAXUPCGOZ-HOTGVXAUSA-N 1 0 310.482 4.063 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001257140706 1063120658 /nfs/dbraw/zinc/12/06/58/1063120658.db2.gz VTZCONAXUPCGOZ-HZPDHXFCSA-N 1 0 310.482 4.063 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001257204722 1063138170 /nfs/dbraw/zinc/13/81/70/1063138170.db2.gz LQZABKQXKGQJID-IAGOWNOFSA-N 1 0 324.509 4.309 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460946167 1063152011 /nfs/dbraw/zinc/15/20/11/1063152011.db2.gz HVJCIQLBQHMZQG-OXJNMPFZSA-N 1 0 306.409 4.083 20 30 DIEDRO CC(C)C[C@H](CNc1cccc(C#N)n1)[NH2+][C@H](C)c1ccccc1 ZINC001472693303 1063155705 /nfs/dbraw/zinc/15/57/05/1063155705.db2.gz ZKUKTPUTRFCHOZ-VQIMIIECSA-N 1 0 322.456 4.131 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[NH2+]C3CC(C#N)C3)ccc2c1 ZINC001257281609 1063176468 /nfs/dbraw/zinc/17/64/68/1063176468.db2.gz XMRBBHNYZBZPTC-ICXUMSERSA-N 1 0 308.425 4.061 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[NH2+]CCCCC#N)ccc2c1 ZINC001257273542 1063176956 /nfs/dbraw/zinc/17/69/56/1063176956.db2.gz QLWKTCWDKMJCMB-INIZCTEOSA-N 1 0 310.441 4.453 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[N@@H+]3CCC[C@@H](C#N)C3)ccc2c1 ZINC001257280710 1063178211 /nfs/dbraw/zinc/17/82/11/1063178211.db2.gz DXHXKAWYSFXXOK-AEFFLSMTSA-N 1 0 322.452 4.405 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nnc([C@@H]2C[C@H]2c2ccc(C)cc2)o1 ZINC001257289088 1063180301 /nfs/dbraw/zinc/18/03/01/1063180301.db2.gz OFWZRCJHJDFQTG-ZWKOTPCHSA-N 1 0 323.440 4.148 20 30 DIEDRO COc1ccc2cc(CC[C@@H](C)[N@@H+]3CC[C@H](C#N)C3)ccc2c1 ZINC001257286024 1063180702 /nfs/dbraw/zinc/18/07/02/1063180702.db2.gz XEBLNYHNFBBZLQ-NVXWUHKLSA-N 1 0 308.425 4.015 20 30 DIEDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ccc(Cl)c(C#N)n1 ZINC001472763849 1063216322 /nfs/dbraw/zinc/21/63/22/1063216322.db2.gz YAFJZIYYCHXIGR-UHFFFAOYSA-N 1 0 320.868 4.063 20 30 DIEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H](C)CCCCCC)CC2 ZINC001257362152 1063231380 /nfs/dbraw/zinc/23/13/80/1063231380.db2.gz AHLJZWGMYNNZOJ-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C1 ZINC001461110381 1063260902 /nfs/dbraw/zinc/26/09/02/1063260902.db2.gz BLMSFGZKMCXXND-HOCLYGCPSA-N 1 0 301.430 4.027 20 30 DIEDRO CCCC[C@H](CC)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001257413619 1063261716 /nfs/dbraw/zinc/26/17/16/1063261716.db2.gz FNVDFNNNJCBZDD-IBGZPJMESA-N 1 0 313.489 4.081 20 30 DIEDRO CCCC[C@H](CC)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001257425197 1063274600 /nfs/dbraw/zinc/27/46/00/1063274600.db2.gz LYHMIDBIFNEXKJ-KRWDZBQOSA-N 1 0 300.446 4.370 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCCC[C@H]1C ZINC001461126703 1063277209 /nfs/dbraw/zinc/27/72/09/1063277209.db2.gz CSTMAUCWGHEIGQ-HUUCEWRRSA-N 1 0 305.849 4.268 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3cc(C)cc(F)c3C#N)C2)cc1 ZINC001472859228 1063287553 /nfs/dbraw/zinc/28/75/53/1063287553.db2.gz CUEYZUVRJSAWLJ-QGZVFWFLSA-N 1 0 323.415 4.001 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H](C)CC[C@H](C)CCC)CC2 ZINC001257477707 1063298201 /nfs/dbraw/zinc/29/82/01/1063298201.db2.gz KXIZIQDXAZVHPP-QZTJIDSGSA-N 1 0 320.521 4.234 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC001461167776 1063304890 /nfs/dbraw/zinc/30/48/90/1063304890.db2.gz KLHLWGKXORGDIK-ZACQAIPSSA-N 1 0 322.493 4.110 20 30 DIEDRO Cc1cc(C[NH2+]CCc2cccc3ccccc32)ccc1C#N ZINC001461176930 1063311931 /nfs/dbraw/zinc/31/19/31/1063311931.db2.gz CCMQREGXLAWDBY-UHFFFAOYSA-N 1 0 300.405 4.352 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001257563506 1063335400 /nfs/dbraw/zinc/33/54/00/1063335400.db2.gz FYBDTMGPVPBZSZ-UKRRQHHQSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001257564327 1063339343 /nfs/dbraw/zinc/33/93/43/1063339343.db2.gz KYFAOANSLYJDJD-DZGCQCFKSA-N 1 0 321.262 4.006 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc(Cl)c1F ZINC001461265853 1063379200 /nfs/dbraw/zinc/37/92/00/1063379200.db2.gz PDYORPOYVYXXJC-UHFFFAOYSA-N 1 0 302.780 4.257 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC)C1 ZINC001461299573 1063399436 /nfs/dbraw/zinc/39/94/36/1063399436.db2.gz BRZPRIDHDOMUTM-WFASDCNBSA-N 1 0 324.262 4.292 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC)C1 ZINC001461299570 1063400865 /nfs/dbraw/zinc/40/08/65/1063400865.db2.gz BRZPRIDHDOMUTM-SWLSCSKDSA-N 1 0 324.262 4.292 20 30 DIEDRO CCC[N@H+](CCCc1scnc1C)Cc1ccc(C#N)cc1 ZINC001473108241 1063406570 /nfs/dbraw/zinc/40/65/70/1063406570.db2.gz UNPAHLTZUFTJSB-UHFFFAOYSA-N 1 0 313.470 4.168 20 30 DIEDRO N#Cc1ccnc(C[N@H+](Cc2ccc3ccccc3c2)C2CC2)c1 ZINC001473119586 1063422921 /nfs/dbraw/zinc/42/29/21/1063422921.db2.gz LRNXAFJZQQZBBU-UHFFFAOYSA-N 1 0 313.404 4.271 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3CC[C@H](C(=O)OCC)CC3)C[C@H](C1)C2 ZINC001257887827 1063424741 /nfs/dbraw/zinc/42/47/41/1063424741.db2.gz LTLHYLYEJAFJRZ-PVTCGPCQSA-N 1 0 319.489 4.080 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)C[C@H](C1)C2 ZINC001257888164 1063425646 /nfs/dbraw/zinc/42/56/46/1063425646.db2.gz ZXOUNHDUEGDXDD-PMRDEQMMSA-N 1 0 322.493 4.014 20 30 DIEDRO C=C1C[C@@H]2CC(n3c(-c4ccccc4)cnc3C[NH3+])C[C@H](C1)C2 ZINC001257890306 1063428332 /nfs/dbraw/zinc/42/83/32/1063428332.db2.gz UHQNBOGUEBKASX-BYICEURKSA-N 1 0 307.441 4.316 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H](OC(=O)OC(C)(C)C)C3)C[C@H](C1)C2 ZINC001257891377 1063429010 /nfs/dbraw/zinc/42/90/10/1063429010.db2.gz HOOSVARKQDMVQC-WFVVYAPDSA-N 1 0 321.461 4.147 20 30 DIEDRO C=C1C[C@@H]2CC([NH+]3CCC(C(=O)OC(C)(C)C)CC3)C[C@H](C1)C2 ZINC001257893263 1063431159 /nfs/dbraw/zinc/43/11/59/1063431159.db2.gz OYQXNTFJDANWIO-BYICEURKSA-N 1 0 319.489 4.175 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3CCc4ncc(Cl)cc4C3)C[C@H](C1)C2 ZINC001257895219 1063431436 /nfs/dbraw/zinc/43/14/36/1063431436.db2.gz MAPPFQASGFSBQA-VMZNBEPHSA-N 1 0 302.849 4.228 20 30 DIEDRO C=CCC[C@H](O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC001473130269 1063436246 /nfs/dbraw/zinc/43/62/46/1063436246.db2.gz WOXCVOOLSQDIRT-IBGZPJMESA-N 1 0 307.437 4.256 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Br)s1)C1CCCCC1 ZINC001473137205 1063444570 /nfs/dbraw/zinc/44/45/70/1063444570.db2.gz QPBBCGBFATZFTH-UHFFFAOYSA-N 1 0 312.276 4.279 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(OC(C)C)ccn1 ZINC001473137020 1063444806 /nfs/dbraw/zinc/44/48/06/1063444806.db2.gz NEJAPXHBFCDWQI-UHFFFAOYSA-N 1 0 310.441 4.100 20 30 DIEDRO CC(C)(C)C[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC001473156318 1063457799 /nfs/dbraw/zinc/45/77/99/1063457799.db2.gz SPOALLXDYQHPHK-UHFFFAOYSA-N 1 0 322.452 4.485 20 30 DIEDRO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)CCO1 ZINC001461386117 1063464108 /nfs/dbraw/zinc/46/41/08/1063464108.db2.gz AFDVTWGXTRODRD-AZUAARDMSA-N 1 0 314.473 4.249 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](CC)c2ccc(F)cc2)cc1 ZINC001461385447 1063464383 /nfs/dbraw/zinc/46/43/83/1063464383.db2.gz ZCORDRGFAPZHCV-HXUWFJFHSA-N 1 0 311.400 4.469 20 30 DIEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001473162536 1063464961 /nfs/dbraw/zinc/46/49/61/1063464961.db2.gz FVICEERCARZLKT-INIZCTEOSA-N 1 0 300.446 4.082 20 30 DIEDRO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)CCO1 ZINC001461386123 1063465231 /nfs/dbraw/zinc/46/52/31/1063465231.db2.gz AFDVTWGXTRODRD-UYAOXDASSA-N 1 0 314.473 4.249 20 30 DIEDRO C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)Nc1ccccc1 ZINC001473162538 1063466681 /nfs/dbraw/zinc/46/66/81/1063466681.db2.gz FVICEERCARZLKT-MRXNPFEDSA-N 1 0 300.446 4.082 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1CCN(C(=O)C2CCC2)CC1 ZINC001258040410 1063471727 /nfs/dbraw/zinc/47/17/27/1063471727.db2.gz BVLBBGZPHKZSIB-KRWDZBQOSA-N 1 0 322.537 4.364 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](CC(=O)OCC)c1cccnc1 ZINC001258038696 1063472457 /nfs/dbraw/zinc/47/24/57/1063472457.db2.gz CNROFXHYPWSFPG-AEFFLSMTSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001258040387 1063472526 /nfs/dbraw/zinc/47/25/26/1063472526.db2.gz AWCQDMAZAJZGEW-SJLPKXTDSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001258040701 1063472721 /nfs/dbraw/zinc/47/27/21/1063472721.db2.gz GXJVUSBRBULLOC-GOSISDBHSA-N 1 0 324.553 4.216 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](CC(=O)OCC)c1cccnc1 ZINC001258038722 1063473171 /nfs/dbraw/zinc/47/31/71/1063473171.db2.gz CNROFXHYPWSFPG-SJLPKXTDSA-N 1 0 320.477 4.415 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC001258039217 1063473263 /nfs/dbraw/zinc/47/32/63/1063473263.db2.gz MEHSFHDWOCBGIQ-HNNXBMFYSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC001258041612 1063474607 /nfs/dbraw/zinc/47/46/07/1063474607.db2.gz XKFIEOXACJWFOZ-CQSZACIVSA-N 1 0 309.450 4.248 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)CCC2 ZINC001461401687 1063474545 /nfs/dbraw/zinc/47/45/45/1063474545.db2.gz XVJSEXLGJBWAGA-OAQYLSRUSA-N 1 0 320.436 4.351 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)C1 ZINC001461403142 1063474615 /nfs/dbraw/zinc/47/46/15/1063474615.db2.gz VHAVINYHJPHFAY-IXDOHACOSA-N 1 0 302.437 4.129 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCC2(CCC(=O)N2C)CC1 ZINC001258042740 1063475202 /nfs/dbraw/zinc/47/52/02/1063475202.db2.gz WTFRPFPHSJTRNU-MUYFXNHWSA-N 1 0 308.510 4.259 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cn(CC(F)(F)F)cn1 ZINC001258043363 1063475500 /nfs/dbraw/zinc/47/55/00/1063475500.db2.gz NSWDYBDBJBISSL-ZDUSSCGKSA-N 1 0 305.388 4.284 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H](CCO)c1cccc(OC)c1 ZINC001258042222 1063475727 /nfs/dbraw/zinc/47/57/27/1063475727.db2.gz JQUWISWIFPZWSM-QFBILLFUSA-N 1 0 307.478 4.457 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(c2cc(C)ncn2)CC1 ZINC001258043093 1063475875 /nfs/dbraw/zinc/47/58/75/1063475875.db2.gz IVDYPOLIPHYJBB-INIZCTEOSA-N 1 0 318.509 4.092 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCc2onc(COCC)c2C1 ZINC001258046699 1063477118 /nfs/dbraw/zinc/47/71/18/1063477118.db2.gz CNKNLIVVWXQHCA-OAHLLOKOSA-N 1 0 308.466 4.318 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc(OCC2CC2)ncn1 ZINC001258043622 1063477384 /nfs/dbraw/zinc/47/73/84/1063477384.db2.gz QJOVNDYSHWRCQE-OAHLLOKOSA-N 1 0 305.466 4.104 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001258044368 1063477883 /nfs/dbraw/zinc/47/78/83/1063477883.db2.gz MLZFSWLNEXVCCC-WDSOQIARSA-N 1 0 320.521 4.211 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001258046740 1063478114 /nfs/dbraw/zinc/47/81/14/1063478114.db2.gz DENDDUOUHCRHGN-MRXNPFEDSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2nn(CC)cc2[C@H](COC)C1 ZINC001258045286 1063478223 /nfs/dbraw/zinc/47/82/23/1063478223.db2.gz YUTFPDVLQADZCA-IRXDYDNUSA-N 1 0 321.509 4.198 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001258044635 1063478556 /nfs/dbraw/zinc/47/85/56/1063478556.db2.gz RZPRPYORKWAXGB-IRXDYDNUSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C2CC2)CC1 ZINC001258044242 1063478757 /nfs/dbraw/zinc/47/87/57/1063478757.db2.gz ZNOVBIRWLWLPMR-SZMVWBNQSA-N 1 0 308.510 4.162 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001258045168 1063478773 /nfs/dbraw/zinc/47/87/73/1063478773.db2.gz XWCLLACGCBEFKQ-FUHWJXTLSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001258045338 1063478989 /nfs/dbraw/zinc/47/89/89/1063478989.db2.gz ZJSKDYHORJBHGY-AEFFLSMTSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(C)(C(=O)N2CCCC2)CC1 ZINC001258049699 1063481441 /nfs/dbraw/zinc/48/14/41/1063481441.db2.gz NCZFWDSSAALKQP-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC001473176366 1063481812 /nfs/dbraw/zinc/48/18/12/1063481812.db2.gz VPKYMUKIRJBUJK-MOPGFXCFSA-N 1 0 314.473 4.282 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(Oc2cnccn2)CC1 ZINC001258049804 1063481903 /nfs/dbraw/zinc/48/19/03/1063481903.db2.gz OVVKNVVFLUPTEL-INIZCTEOSA-N 1 0 305.466 4.069 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1C[C@H](OCC)C1(C)C ZINC001473176145 1063482126 /nfs/dbraw/zinc/48/21/26/1063482126.db2.gz SOSCKTVRGUGTDC-MSOLQXFVSA-N 1 0 318.436 4.113 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC001258049970 1063482257 /nfs/dbraw/zinc/48/22/57/1063482257.db2.gz QQQDBALPBAPEEF-KRWDZBQOSA-N 1 0 320.477 4.177 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCC[C@@]2(C[C@H](OCC)CO2)C1 ZINC001258048646 1063483149 /nfs/dbraw/zinc/48/31/49/1063483149.db2.gz WMVUOMUKXMKQJH-CEXWTWQISA-N 1 0 311.510 4.395 20 30 DIEDRO CCCCCCCCCCC[C@H](C)n1cncc1C[C@@H]([NH3+])CO ZINC001258052895 1063485592 /nfs/dbraw/zinc/48/55/92/1063485592.db2.gz UVSMJGJJNJNVRD-ZWKOTPCHSA-N 1 0 323.525 4.227 20 30 DIEDRO C=CCOC(=O)N1CCC(C[NH2+][C@@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258062399 1063490174 /nfs/dbraw/zinc/49/01/74/1063490174.db2.gz PSKONMOIAMWBRY-IRXDYDNUSA-N 1 0 324.509 4.071 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001473186560 1063493316 /nfs/dbraw/zinc/49/33/16/1063493316.db2.gz MESKTIJWTFXSDY-WOJBJXKFSA-N 1 0 305.425 4.030 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258069430 1063497536 /nfs/dbraw/zinc/49/75/36/1063497536.db2.gz HYTVHYDCQNJVLP-ZGXWSNOMSA-N 1 0 323.521 4.273 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC001461439732 1063505532 /nfs/dbraw/zinc/50/55/32/1063505532.db2.gz QLMKTPNDJRTDAN-SWLSCSKDSA-N 1 0 321.262 4.379 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](C)CCC=C(C)C)CC2 ZINC001258092896 1063513065 /nfs/dbraw/zinc/51/30/65/1063513065.db2.gz MPIIIXZRBNCCHK-UYAOXDASSA-N 1 0 318.505 4.154 20 30 DIEDRO CCCCCCCCCCC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001461475008 1063529168 /nfs/dbraw/zinc/52/91/68/1063529168.db2.gz KLCFMVBPEWDFRB-LJQANCHMSA-N 1 0 308.510 4.118 20 30 DIEDRO C[C@@H](Cc1ccco1)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001258192496 1063553690 /nfs/dbraw/zinc/55/36/90/1063553690.db2.gz NDIZZABJLMGCFT-INIZCTEOSA-N 1 0 308.425 4.037 20 30 DIEDRO C=C[C@H](CC)CC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001546125106 1063564284 /nfs/dbraw/zinc/56/42/84/1063564284.db2.gz VKEQXOWNGZKSJB-GOSISDBHSA-N 1 0 322.537 4.195 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001461534158 1063564741 /nfs/dbraw/zinc/56/47/41/1063564741.db2.gz VCCKCNPLFNUZRD-UHFFFAOYSA-N 1 0 303.837 4.422 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001258227870 1063569759 /nfs/dbraw/zinc/56/97/59/1063569759.db2.gz BLBIYVFOKQSERX-HZPDHXFCSA-N 1 0 305.453 4.465 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001258230021 1063567466 /nfs/dbraw/zinc/56/74/66/1063567466.db2.gz XHITXYUQLWFTMK-KRWDZBQOSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001258229967 1063567925 /nfs/dbraw/zinc/56/79/25/1063567925.db2.gz WEADPZDAWGRGLQ-MJGOQNOKSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCC[C@H](C)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001258228634 1063568053 /nfs/dbraw/zinc/56/80/53/1063568053.db2.gz IXVKOUFFYSUHSA-DLBZAZTESA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001258229987 1063568796 /nfs/dbraw/zinc/56/87/96/1063568796.db2.gz WVCJAPDWRWQGSZ-KZNAEPCWSA-N 1 0 308.510 4.211 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001258228008 1063569316 /nfs/dbraw/zinc/56/93/16/1063569316.db2.gz CAQZDWXIVQJFFL-XHSDSOJGSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCN(c2ncccn2)C1 ZINC001258230236 1063570137 /nfs/dbraw/zinc/57/01/37/1063570137.db2.gz RXOMZOMUXJFPME-QZTJIDSGSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001258231851 1063571035 /nfs/dbraw/zinc/57/10/35/1063571035.db2.gz WAPJPABUYQMTEX-MSOLQXFVSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCN(CC(F)F)CC1 ZINC001258232305 1063570953 /nfs/dbraw/zinc/57/09/53/1063570953.db2.gz JIKTYHMLUAAZGU-MRXNPFEDSA-N 1 0 304.469 4.398 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001258232198 1063570998 /nfs/dbraw/zinc/57/09/98/1063570998.db2.gz CAPGRCFDUANWNJ-QGZVFWFLSA-N 1 0 324.509 4.480 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001258232206 1063571503 /nfs/dbraw/zinc/57/15/03/1063571503.db2.gz CDJBOHKAFJQXIC-SJORKVTESA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCCC[C@@H](C)n1cnc(C[NH3+])c1C(=O)OCC ZINC001258230541 1063571786 /nfs/dbraw/zinc/57/17/86/1063571786.db2.gz XTSVYEUHCPECCS-OAHLLOKOSA-N 1 0 323.481 4.220 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001258232301 1063572480 /nfs/dbraw/zinc/57/24/80/1063572480.db2.gz JDZLNEHCRYWLSQ-KRWDZBQOSA-N 1 0 322.493 4.294 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc2sccc2c1 ZINC001461553859 1063577988 /nfs/dbraw/zinc/57/79/88/1063577988.db2.gz LUDHVXDZWMOKAX-UHFFFAOYSA-N 1 0 321.449 4.129 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1CCCC(C)(C)C1)C2 ZINC001258286137 1063586905 /nfs/dbraw/zinc/58/69/05/1063586905.db2.gz GXOFDLFGGKRRQK-WSTZPKSXSA-N 1 0 321.505 4.029 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1CCCC(C)(C)C1)C2 ZINC001258286135 1063587213 /nfs/dbraw/zinc/58/72/13/1063587213.db2.gz GXOFDLFGGKRRQK-NLWGTHIKSA-N 1 0 321.505 4.029 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC001461576087 1063588432 /nfs/dbraw/zinc/58/84/32/1063588432.db2.gz AVILFXGIJJGVKL-HOTGVXAUSA-N 1 0 317.860 4.268 20 30 DIEDRO CC1(C)CCC[C@@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)C1 ZINC001258290834 1063589241 /nfs/dbraw/zinc/58/92/41/1063589241.db2.gz XCQSTDFYCPAPRR-QGZVFWFLSA-N 1 0 312.457 4.370 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001461580120 1063591906 /nfs/dbraw/zinc/59/19/06/1063591906.db2.gz JYKRCJCNIJTQCN-GOSISDBHSA-N 1 0 310.397 4.180 20 30 DIEDRO CCc1cccc(F)c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC001461586147 1063595203 /nfs/dbraw/zinc/59/52/03/1063595203.db2.gz OUDMAADMKCBVLJ-HXUWFJFHSA-N 1 0 308.400 4.427 20 30 DIEDRO CSC(C)(C)C[C@H](C)n1cc(CC[NH3+])c2cc(C#N)ccc21 ZINC001258334598 1063618431 /nfs/dbraw/zinc/61/84/31/1063618431.db2.gz VDWNKKRZPNAMCR-ZDUSSCGKSA-N 1 0 315.486 4.107 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC001461629463 1063624189 /nfs/dbraw/zinc/62/41/89/1063624189.db2.gz IBOQXVUDYIKRCR-WOJBJXKFSA-N 1 0 319.489 4.429 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC001461632376 1063626269 /nfs/dbraw/zinc/62/62/69/1063626269.db2.gz NXIXOFCTAAHOFO-KHYOSLBOSA-N 1 0 315.457 4.243 20 30 DIEDRO COc1ccc(CC[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC001258403293 1063640017 /nfs/dbraw/zinc/64/00/17/1063640017.db2.gz KGOGILPHZLRDTL-INIZCTEOSA-N 1 0 308.425 4.020 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001461676501 1063652870 /nfs/dbraw/zinc/65/28/70/1063652870.db2.gz PLNWGUJTBAJKNC-SJORKVTESA-N 1 0 309.494 4.471 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)cc1Cl ZINC001461678719 1063653301 /nfs/dbraw/zinc/65/33/01/1063653301.db2.gz GBJZQDVWDBRXMN-JLVBRIDZSA-N 1 0 305.849 4.431 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cccc(OC)c2OC(C)C)CC1 ZINC001461743451 1063690600 /nfs/dbraw/zinc/69/06/00/1063690600.db2.gz ZDUYRYOLBZMDAE-UHFFFAOYSA-N 1 0 303.446 4.318 20 30 DIEDRO CCCC[N@H+](CCC#N)C1CCN(c2ccccc2Cl)CC1 ZINC001258544377 1063691109 /nfs/dbraw/zinc/69/11/09/1063691109.db2.gz RASMGVKJUJGVNN-UHFFFAOYSA-N 1 0 319.880 4.325 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCCc3ccccc3C2)cc1C#N ZINC001461754185 1063697411 /nfs/dbraw/zinc/69/74/11/1063697411.db2.gz OGSHZTBXBHUCQW-LJQANCHMSA-N 1 0 322.477 4.317 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2ccoc21 ZINC001461776975 1063710223 /nfs/dbraw/zinc/71/02/23/1063710223.db2.gz HYVGWJQBAVHHJA-UHFFFAOYSA-N 1 0 304.393 4.415 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cc2ccccc2[nH]1 ZINC001461781330 1063712007 /nfs/dbraw/zinc/71/20/07/1063712007.db2.gz VJDUWMAQVIUDGF-UHFFFAOYSA-N 1 0 303.409 4.150 20 30 DIEDRO C#CCCC1(CC[NH2+][C@H](C)Cc2ccc(Cl)cc2Cl)N=N1 ZINC001258678704 1063745669 /nfs/dbraw/zinc/74/56/69/1063745669.db2.gz RABHVXUAWZLTNK-GFCCVEGCSA-N 1 0 324.255 4.480 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCc2ccccc21 ZINC001461862327 1063756545 /nfs/dbraw/zinc/75/65/45/1063756545.db2.gz CEQXUDSDZJTHKU-FQEVSTJZSA-N 1 0 304.437 4.499 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC001258698608 1063758301 /nfs/dbraw/zinc/75/83/01/1063758301.db2.gz RGMCHCWSADUXPR-HLNWXESRSA-N 1 0 321.505 4.027 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC001258698605 1063758452 /nfs/dbraw/zinc/75/84/52/1063758452.db2.gz RGMCHCWSADUXPR-CGBFIWBNSA-N 1 0 321.505 4.027 20 30 DIEDRO Cc1cc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)ccc1C#N ZINC001461866878 1063759249 /nfs/dbraw/zinc/75/92/49/1063759249.db2.gz OQAALKHQZYKFBH-UHFFFAOYSA-N 1 0 302.780 4.291 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCc2ccccc2C1 ZINC001461868718 1063759801 /nfs/dbraw/zinc/75/98/01/1063759801.db2.gz DZVVKPAEABWYIS-IBGZPJMESA-N 1 0 321.464 4.488 20 30 DIEDRO CCCC[C@@H](Cc1ccccc1)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001258706955 1063763676 /nfs/dbraw/zinc/76/36/76/1063763676.db2.gz YXIYGXUZLJGGKU-IBGZPJMESA-N 1 0 305.425 4.065 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CCN(C(C)=O)C1 ZINC001258714651 1063770555 /nfs/dbraw/zinc/77/05/55/1063770555.db2.gz SJBLVBGWDBEWDS-RBUKOAKNSA-N 1 0 310.526 4.220 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H](CO)c1cccnc1 ZINC001258714326 1063770674 /nfs/dbraw/zinc/77/06/74/1063770674.db2.gz LPAJKBKBSMHZOW-OALUTQOASA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)n1[nH]c(=O)c2c1CC[NH2+]C2 ZINC001258714071 1063770776 /nfs/dbraw/zinc/77/07/76/1063770776.db2.gz HDFSNFFLPSAKRZ-OAHLLOKOSA-N 1 0 307.482 4.182 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]Cc1cncc(C(N)=O)c1 ZINC001258714045 1063771484 /nfs/dbraw/zinc/77/14/84/1063771484.db2.gz GSNAMGRHHXVXSU-GOSISDBHSA-N 1 0 319.493 4.045 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC001258717236 1063773363 /nfs/dbraw/zinc/77/33/63/1063773363.db2.gz KTBXAQOXZIVRDL-MAUKXSAKSA-N 1 0 306.881 4.421 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H](O)c1ccccn1 ZINC001258716104 1063773608 /nfs/dbraw/zinc/77/36/08/1063773608.db2.gz SBHOFAVVVZMWTI-IEBWSBKVSA-N 1 0 306.494 4.480 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001258717690 1063774362 /nfs/dbraw/zinc/77/43/62/1063774362.db2.gz XEMJJXRBKSYUKY-APWZRJJASA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CC1 ZINC001258718574 1063775109 /nfs/dbraw/zinc/77/51/09/1063775109.db2.gz QZZVCBBETOAJSC-HRCADAONSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCC[C@@H](C)n1cc(CC[NH3+])c2cc(Br)ccc21 ZINC001258718166 1063775532 /nfs/dbraw/zinc/77/55/32/1063775532.db2.gz IJTXFURFAWTHAF-GFCCVEGCSA-N 1 0 321.262 4.432 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 ZINC001258717584 1063775587 /nfs/dbraw/zinc/77/55/87/1063775587.db2.gz QZRIOCKNNJRCLG-MNNVXMFVSA-N 1 0 322.493 4.301 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2cc(F)ccc2C)CC1 ZINC001258722241 1063776099 /nfs/dbraw/zinc/77/60/99/1063776099.db2.gz FHDZSVHLQBKIBN-INIZCTEOSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001258720982 1063776079 /nfs/dbraw/zinc/77/60/79/1063776079.db2.gz KGWQQRDVCGNSOD-LSDHHAIUSA-N 1 0 323.440 4.048 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(OCc2ccccn2)cc1 ZINC001258721390 1063777351 /nfs/dbraw/zinc/77/73/51/1063777351.db2.gz UQXZYRNPNKSNIL-QGZVFWFLSA-N 1 0 310.441 4.147 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOc2ccc(OC(F)(F)F)cc21 ZINC001258725422 1063778143 /nfs/dbraw/zinc/77/81/43/1063778143.db2.gz KHUNQUZWAFZVCE-SMDDNHRTSA-N 1 0 315.335 4.353 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258726821 1063778280 /nfs/dbraw/zinc/77/82/80/1063778280.db2.gz XJTGRMMLKGFZGR-APWZRJJASA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001258727342 1063778984 /nfs/dbraw/zinc/77/89/84/1063778984.db2.gz DXUMYMDJPKYPAT-SXLOBPIMSA-N 1 0 314.473 4.055 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC2(CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC001258726386 1063779311 /nfs/dbraw/zinc/77/93/11/1063779311.db2.gz RZSRXIUYLVPNQX-OAHLLOKOSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC2(CCCN2C(=O)OC(C)(C)C)CC1 ZINC001258724767 1063779959 /nfs/dbraw/zinc/77/99/59/1063779959.db2.gz DRFSAAHHRCGHAI-MRXNPFEDSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1C[C@H]2Cc3c(c(-c4ccccc4)nn3C)[C@H]2C1 ZINC001258731467 1063781879 /nfs/dbraw/zinc/78/18/79/1063781879.db2.gz YDYDJOKADKAQFS-NXHRZFHOSA-N 1 0 321.468 4.013 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001258736468 1063783609 /nfs/dbraw/zinc/78/36/09/1063783609.db2.gz UIQVBZOKKXDZLO-CZUORRHYSA-N 1 0 313.363 4.433 20 30 DIEDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001258739511 1063789418 /nfs/dbraw/zinc/78/94/18/1063789418.db2.gz COSIZIHNGPTVSW-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1cccc(C#N)n1 ZINC001461914806 1063797451 /nfs/dbraw/zinc/79/74/51/1063797451.db2.gz QRBOGRFEBBZFJY-ZIAGYGMSSA-N 1 0 313.832 4.231 20 30 DIEDRO C#CCCCCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001461921920 1063805500 /nfs/dbraw/zinc/80/55/00/1063805500.db2.gz LABORFMJMJRQHK-UHFFFAOYSA-N 1 0 304.865 4.046 20 30 DIEDRO C#CC[N@@H+](C/C(C)=C\c1ccccc1OC(F)F)CC1CC1 ZINC001461926022 1063810293 /nfs/dbraw/zinc/81/02/93/1063810293.db2.gz KEWXXKNGLVKJHV-KAMYIIQDSA-N 1 0 305.368 4.037 20 30 DIEDRO CCC[NH+]1CCC(N(CCC#N)C2CCCCCCC2)CC1 ZINC001258774006 1063816512 /nfs/dbraw/zinc/81/65/12/1063816512.db2.gz HFYGFYGLEDQNLG-UHFFFAOYSA-N 1 0 305.510 4.189 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H](CC)C[C@H](C)CC)CCC2 ZINC001258791002 1063828524 /nfs/dbraw/zinc/82/85/24/1063828524.db2.gz OZZALJIUGHOWNO-SJORKVTESA-N 1 0 319.493 4.006 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](CC)C[C@H](C)CC)CC2 ZINC001258793243 1063832071 /nfs/dbraw/zinc/83/20/71/1063832071.db2.gz MFAGJSOLYQUFCJ-GGPKGHCWSA-N 1 0 320.521 4.234 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1C ZINC001461964553 1063845883 /nfs/dbraw/zinc/84/58/83/1063845883.db2.gz KYZAXQCVTBQMPU-UHFFFAOYSA-N 1 0 321.468 4.345 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)cs1 ZINC001461968178 1063847621 /nfs/dbraw/zinc/84/76/21/1063847621.db2.gz FGDOUVLWYJWQPS-UHFFFAOYSA-N 1 0 321.449 4.481 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C(CC(C)C)CC(C)C)C2 ZINC001258834710 1063855911 /nfs/dbraw/zinc/85/59/11/1063855911.db2.gz HSWGCAZKRWSPLG-PMACEKPBSA-N 1 0 323.521 4.273 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@H]1c1ccccc1 ZINC001461990050 1063862545 /nfs/dbraw/zinc/86/25/45/1063862545.db2.gz VRQQRYKKTSNSRO-RTWAWAEBSA-N 1 0 302.421 4.350 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OCC)cc1C ZINC001461990924 1063864693 /nfs/dbraw/zinc/86/46/93/1063864693.db2.gz XAYHDNJGUWSZSU-UHFFFAOYSA-N 1 0 320.436 4.454 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC001461994458 1063865417 /nfs/dbraw/zinc/86/54/17/1063865417.db2.gz CBDHPDRACJJNLJ-FQEVSTJZSA-N 1 0 323.436 4.139 20 30 DIEDRO CC[C@H](C)[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1N(C)C ZINC001462017880 1063880764 /nfs/dbraw/zinc/88/07/64/1063880764.db2.gz BNYRHLJRFZFNRV-KRWDZBQOSA-N 1 0 321.468 4.425 20 30 DIEDRO COc1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)ccc1F ZINC001261244753 1063914044 /nfs/dbraw/zinc/91/40/44/1063914044.db2.gz BVARBJVZMMEYPF-SFHVURJKSA-N 1 0 312.388 4.359 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001462080184 1063918526 /nfs/dbraw/zinc/91/85/26/1063918526.db2.gz GOHSFBYCNPTWOQ-QRWLVFNGSA-N 1 0 320.436 4.443 20 30 DIEDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001462080187 1063918875 /nfs/dbraw/zinc/91/88/75/1063918875.db2.gz GOHSFBYCNPTWOQ-YWZLYKJASA-N 1 0 320.436 4.443 20 30 DIEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001462089050 1063922473 /nfs/dbraw/zinc/92/24/73/1063922473.db2.gz XIISSVNAANCVHV-AZUAARDMSA-N 1 0 322.456 4.017 20 30 DIEDRO Cc1cc2c(cc1F)[nH+]c1c(c2N2CCC(C#N)CC2)CCCC1 ZINC001261451940 1063927144 /nfs/dbraw/zinc/92/71/44/1063927144.db2.gz NXVTXFRYGPHHOG-UHFFFAOYSA-N 1 0 323.415 4.301 20 30 DIEDRO C=CCCCCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000390791201 1064168970 /nfs/dbraw/zinc/16/89/70/1064168970.db2.gz WQZSMXNLIMWRAC-KRWDZBQOSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCCCCC[NH+]1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001279274539 1064339470 /nfs/dbraw/zinc/33/94/70/1064339470.db2.gz FSLOPYRTZXBIKX-UHFFFAOYSA-N 1 0 315.505 4.049 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(C=C(C(=O)N(C)C)CC2)CC1 ZINC001279831457 1064369329 /nfs/dbraw/zinc/36/93/29/1064369329.db2.gz IKKWLULOFHNBAF-UHFFFAOYSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@@H](C(N)=O)[C@@H]1c1ccccc1 ZINC001279835020 1064369401 /nfs/dbraw/zinc/36/94/01/1064369401.db2.gz WVMHFSMDXQFWQA-MOPGFXCFSA-N 1 0 314.473 4.062 20 30 DIEDRO C=CCCC[NH+]1CCC2(C=C(C(=O)N(CC)C(C)C)CC2)CC1 ZINC001280119931 1064380401 /nfs/dbraw/zinc/38/04/01/1064380401.db2.gz AARBBDVECBVEND-UHFFFAOYSA-N 1 0 318.505 4.012 20 30 DIEDRO CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC#N ZINC001280185591 1064384987 /nfs/dbraw/zinc/38/49/87/1064384987.db2.gz NCKNRVLTWBGQIW-GBESFXJTSA-N 1 0 305.510 4.045 20 30 DIEDRO CCCCCCCOC(=O)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001280344521 1064395702 /nfs/dbraw/zinc/39/57/02/1064395702.db2.gz QGQLIYXCXHXJSN-FUHWJXTLSA-N 1 0 322.493 4.042 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001292508565 1064777775 /nfs/dbraw/zinc/77/77/75/1064777775.db2.gz PSFSRJWHTZXVIQ-UHFFFAOYSA-N 1 0 306.475 4.024 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCC[C@@H]1CC)C(C)C ZINC001292958608 1064794964 /nfs/dbraw/zinc/79/49/64/1064794964.db2.gz XSWDIJVVTXAWRZ-GBESFXJTSA-N 1 0 320.521 4.018 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)CCC[C@H]1CC)C(C)C ZINC001292957943 1064795041 /nfs/dbraw/zinc/79/50/41/1064795041.db2.gz CLIBHEAXYXLPAY-QWFCFKBJSA-N 1 0 320.521 4.018 20 30 DIEDRO C=CCC1(C(=O)N(CCC)CC[NH+]2CCCCC2)CCCCC1 ZINC001297733737 1064988271 /nfs/dbraw/zinc/98/82/71/1064988271.db2.gz NEZDRJYNAHIMDT-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO CCCCCCCCC[C@H](C)CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001298378274 1065004358 /nfs/dbraw/zinc/00/43/58/1065004358.db2.gz XCYWMAKRVWOSKL-FHWLQOOXSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001298378277 1065004872 /nfs/dbraw/zinc/00/48/72/1065004872.db2.gz XCYWMAKRVWOSKL-OTWHNJEPSA-N 1 0 322.537 4.316 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(Oc2ccc(C)cc2C)c1 ZINC001302636914 1065095026 /nfs/dbraw/zinc/09/50/26/1065095026.db2.gz AHMXFMHHSDSCEG-UHFFFAOYSA-N 1 0 324.424 4.152 20 30 DIEDRO CCC(CC)[C@H](CNc1cc(F)ccc1C#N)[NH+]1CCCC1 ZINC001306924379 1065207098 /nfs/dbraw/zinc/20/70/98/1065207098.db2.gz NFTFTZRGQBTUFR-SFHVURJKSA-N 1 0 303.425 4.010 20 30 DIEDRO C=CCOCC[N@@H+](C)Cc1ccc2c(c1)c1ccccc1n2CC ZINC001307418182 1065380506 /nfs/dbraw/zinc/38/05/06/1065380506.db2.gz DXQFLRYBNYIWOP-UHFFFAOYSA-N 1 0 322.452 4.449 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001307425337 1065385688 /nfs/dbraw/zinc/38/56/88/1065385688.db2.gz CYKBRNJISFMEDC-MRXNPFEDSA-N 1 0 303.409 4.321 20 30 DIEDRO CC(C)C[N@@H+](CC#Cc1ccc(F)cc1)CCc1ccccc1 ZINC001307432292 1065393104 /nfs/dbraw/zinc/39/31/04/1065393104.db2.gz XNIFINZTCRWVCC-UHFFFAOYSA-N 1 0 309.428 4.378 20 30 DIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC(C)(C)O1 ZINC001307437693 1065399822 /nfs/dbraw/zinc/39/98/22/1065399822.db2.gz JGFLQJFJBBFDCU-IBGZPJMESA-N 1 0 314.473 4.364 20 30 DIEDRO CCC[N@H+](Cc1ccccc1Br)[C@H]1CC[C@@H](C#N)C1 ZINC001307438521 1065400333 /nfs/dbraw/zinc/40/03/33/1065400333.db2.gz UTECRWNQRYMJBX-HIFRSBDPSA-N 1 0 321.262 4.353 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)c(Br)c1)C1CCCCC1 ZINC001307445260 1065403765 /nfs/dbraw/zinc/40/37/65/1065403765.db2.gz WXKGPUGGPBXFGR-UHFFFAOYSA-N 1 0 324.237 4.356 20 30 DIEDRO COc1ccc(C[N@H+](C)CCC2(C#N)CCCCC2)cc1C ZINC001307456933 1065411217 /nfs/dbraw/zinc/41/12/17/1065411217.db2.gz ZGCNOVYHTGMQHZ-UHFFFAOYSA-N 1 0 300.446 4.300 20 30 DIEDRO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)CC1CCCCC1 ZINC001307470483 1065420081 /nfs/dbraw/zinc/42/00/81/1065420081.db2.gz LDPBKFNUBQWWSB-GOSISDBHSA-N 1 0 307.865 4.442 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001307484050 1065429975 /nfs/dbraw/zinc/42/99/75/1065429975.db2.gz ZPZCOHJVGRZHDH-ROUUACIJSA-N 1 0 318.436 4.113 20 30 DIEDRO C[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1C ZINC001307488570 1065432250 /nfs/dbraw/zinc/43/22/50/1065432250.db2.gz DDAAKGMWZZWEHY-KGLIPLIRSA-N 1 0 311.347 4.057 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccc1CF ZINC001307487138 1065432599 /nfs/dbraw/zinc/43/25/99/1065432599.db2.gz NLWFDUVTSGFUFG-PMACEKPBSA-N 1 0 308.400 4.428 20 30 DIEDRO Clc1ccc(C#CC[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001307489222 1065434979 /nfs/dbraw/zinc/43/49/79/1065434979.db2.gz HMQPLNCKZFXZDC-LJQANCHMSA-N 1 0 309.840 4.256 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001307495115 1065440494 /nfs/dbraw/zinc/44/04/94/1065440494.db2.gz AIVJYGKSAXJUDN-ORAYPTAESA-N 1 0 312.363 4.420 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001307498087 1065441359 /nfs/dbraw/zinc/44/13/59/1065441359.db2.gz WSQILBVMAKWBHV-MRXNPFEDSA-N 1 0 312.498 4.288 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C12CCCCC2 ZINC001307503457 1065446997 /nfs/dbraw/zinc/44/69/97/1065446997.db2.gz ORCPHFZQEDPFND-IAGOWNOFSA-N 1 0 318.486 4.179 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1C#N ZINC001307506823 1065448001 /nfs/dbraw/zinc/44/80/01/1065448001.db2.gz PZIZOFBUGULCPN-GOSISDBHSA-N 1 0 322.477 4.481 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)s1 ZINC001307515778 1065454949 /nfs/dbraw/zinc/45/49/49/1065454949.db2.gz URUCWXGGUDXSFN-HXUWFJFHSA-N 1 0 322.477 4.490 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001307523128 1065462509 /nfs/dbraw/zinc/46/25/09/1065462509.db2.gz ILGSJJAUOYHNHG-KRWDZBQOSA-N 1 0 307.478 4.014 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC001307524722 1065462840 /nfs/dbraw/zinc/46/28/40/1065462840.db2.gz WSFBZZSSNAPGBC-HXUWFJFHSA-N 1 0 307.441 4.241 20 30 DIEDRO Cc1ccc(C)c(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC001307525008 1065465236 /nfs/dbraw/zinc/46/52/36/1065465236.db2.gz RRKCTYACABWPEB-GOSISDBHSA-N 1 0 319.452 4.058 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(c2ncc(C)s2)CC1 ZINC001307544950 1065474178 /nfs/dbraw/zinc/47/41/78/1065474178.db2.gz XESKNJFKDSABPE-UHFFFAOYSA-N 1 0 309.523 4.324 20 30 DIEDRO C=C(C)CC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC001307552689 1065478523 /nfs/dbraw/zinc/47/85/23/1065478523.db2.gz XOEDWMPZCFQSQA-CRAIPNDOSA-N 1 0 310.482 4.016 20 30 DIEDRO C=C(C)CC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC001307552690 1065478939 /nfs/dbraw/zinc/47/89/39/1065478939.db2.gz XOEDWMPZCFQSQA-MAUKXSAKSA-N 1 0 310.482 4.016 20 30 DIEDRO C[N@H+](CCOC(C)(C)C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001307580795 1065493698 /nfs/dbraw/zinc/49/36/98/1065493698.db2.gz GPAYVQRIUTXEGC-UHFFFAOYSA-N 1 0 322.452 4.472 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1F ZINC001307608307 1065512561 /nfs/dbraw/zinc/51/25/61/1065512561.db2.gz JJIZCHKMYKVIJV-FOIQADDNSA-N 1 0 308.400 4.405 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC001307618640 1065520407 /nfs/dbraw/zinc/52/04/07/1065520407.db2.gz YPWYNJROIBFCNG-OAQYLSRUSA-N 1 0 304.437 4.286 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cccc(OC(C)(C)C)n1 ZINC001307623000 1065524473 /nfs/dbraw/zinc/52/44/73/1065524473.db2.gz WUGRLKJDMNCUCO-UHFFFAOYSA-N 1 0 314.429 4.083 20 30 DIEDRO CCc1ccc(C2=CC[N@H+](CCc3ccc(C#N)cc3)CC2)cc1 ZINC001307638315 1065534972 /nfs/dbraw/zinc/53/49/72/1065534972.db2.gz LOALTQUCZVCKBU-UHFFFAOYSA-N 1 0 316.448 4.452 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(C)c(F)c1 ZINC001307644694 1065536416 /nfs/dbraw/zinc/53/64/16/1065536416.db2.gz QZYKQUJGUOFAHT-GOSISDBHSA-N 1 0 300.352 4.386 20 30 DIEDRO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1 ZINC001307647774 1065538206 /nfs/dbraw/zinc/53/82/06/1065538206.db2.gz VFUKABQYLJPHHK-DYESRHJHSA-N 1 0 321.468 4.067 20 30 DIEDRO CCCC[C@H](CC)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001307650223 1065540937 /nfs/dbraw/zinc/54/09/37/1065540937.db2.gz ULZQSJGRBMUHJO-QFBILLFUSA-N 1 0 300.446 4.148 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCO1 ZINC001307667768 1065552261 /nfs/dbraw/zinc/55/22/61/1065552261.db2.gz AGYUWEASGSSATF-SFTDATJTSA-N 1 0 320.436 4.272 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307684974 1065561458 /nfs/dbraw/zinc/56/14/58/1065561458.db2.gz ZZHHEEMCTFYWBI-UHFFFAOYSA-N 1 0 322.493 4.066 20 30 DIEDRO CO[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[C@@H]1C ZINC001307687603 1065562870 /nfs/dbraw/zinc/56/28/70/1065562870.db2.gz FRTVLRZAXHLOIS-KKSFZXQISA-N 1 0 320.436 4.082 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001307697282 1065567451 /nfs/dbraw/zinc/56/74/51/1065567451.db2.gz RZZXEUVBSCTQJJ-JKSUJKDBSA-N 1 0 308.878 4.366 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1C ZINC001307703507 1065572892 /nfs/dbraw/zinc/57/28/92/1065572892.db2.gz VBNIBEIBRMETMN-LALPHHSUSA-N 1 0 308.372 4.074 20 30 DIEDRO CCCCCCC[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001307704730 1065575474 /nfs/dbraw/zinc/57/54/74/1065575474.db2.gz FBEGFYVJLSJGLC-IYBDPMFKSA-N 1 0 312.498 4.287 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC001307708975 1065576916 /nfs/dbraw/zinc/57/69/16/1065576916.db2.gz PNIXKVJPLYQWDU-BBRMVZONSA-N 1 0 321.262 4.379 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)CCC1 ZINC001307727628 1065589185 /nfs/dbraw/zinc/58/91/85/1065589185.db2.gz CSNJFLJIXVUMGH-QGZVFWFLSA-N 1 0 300.421 4.479 20 30 DIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC1CCC(C#N)CC1 ZINC001307736657 1065593262 /nfs/dbraw/zinc/59/32/62/1065593262.db2.gz OUDYXLNDAFWVPP-JMLCCBQJSA-N 1 0 320.864 4.289 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC001307738992 1065597065 /nfs/dbraw/zinc/59/70/65/1065597065.db2.gz STFPNDZEQVPQQN-GFCCVEGCSA-N 1 0 314.256 4.289 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@H](C)[C@H]1OC ZINC001307744041 1065600668 /nfs/dbraw/zinc/60/06/68/1065600668.db2.gz HEQPLYNLOOUJHD-BMGDILEWSA-N 1 0 319.876 4.121 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1F ZINC001307750112 1065604803 /nfs/dbraw/zinc/60/48/03/1065604803.db2.gz XUYFTRJGQWKMJM-VAMGGRTRSA-N 1 0 320.411 4.465 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C12CCCC2 ZINC001307753077 1065605972 /nfs/dbraw/zinc/60/59/72/1065605972.db2.gz SXWFVRPSGSMQQT-QZTJIDSGSA-N 1 0 317.860 4.019 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1ccc(C#N)cc1 ZINC001307763414 1065612377 /nfs/dbraw/zinc/61/23/77/1065612377.db2.gz ULVVQFDJCOYFCG-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1Br)CC(C)(C)C ZINC001307792391 1065623597 /nfs/dbraw/zinc/62/35/97/1065623597.db2.gz CFIBCKWRLPQPPN-UHFFFAOYSA-N 1 0 309.251 4.189 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC001307800987 1065627622 /nfs/dbraw/zinc/62/76/22/1065627622.db2.gz HSLDTQVDJHGMJC-KRWDZBQOSA-N 1 0 300.446 4.250 20 30 DIEDRO CCCC[N@H+](C[C@H](O)c1cccc(C#N)c1)C1CCCCC1 ZINC001307799586 1065627778 /nfs/dbraw/zinc/62/77/78/1065627778.db2.gz MSLOZIMKOYSNKK-IBGZPJMESA-N 1 0 300.446 4.026 20 30 DIEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001307809732 1065631196 /nfs/dbraw/zinc/63/11/96/1065631196.db2.gz FNFKRNAIVGVARF-FUHWJXTLSA-N 1 0 314.473 4.474 20 30 DIEDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001307870949 1065663068 /nfs/dbraw/zinc/66/30/68/1065663068.db2.gz YQBMEIXIMFYGOS-RDJZCZTQSA-N 1 0 300.421 4.346 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC001307872775 1065663376 /nfs/dbraw/zinc/66/33/76/1065663376.db2.gz QWQAHPGCFYYPHH-IBGZPJMESA-N 1 0 323.484 4.250 20 30 DIEDRO C[C@@H](CSc1ccccc1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001307910366 1065677875 /nfs/dbraw/zinc/67/78/75/1065677875.db2.gz XNNQCHJIAUWYCY-INIZCTEOSA-N 1 0 310.466 4.213 20 30 DIEDRO C[C@H](CSc1ccccc1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001307910367 1065678225 /nfs/dbraw/zinc/67/82/25/1065678225.db2.gz XNNQCHJIAUWYCY-MRXNPFEDSA-N 1 0 310.466 4.213 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC001307915909 1065680022 /nfs/dbraw/zinc/68/00/22/1065680022.db2.gz ZRPMUUDJENIVSG-MRXNPFEDSA-N 1 0 309.457 4.089 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC001307915006 1065680781 /nfs/dbraw/zinc/68/07/81/1065680781.db2.gz OHVWGIGITUQNCJ-MRXNPFEDSA-N 1 0 301.430 4.040 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCCC3(CCCC3)CC2)c1 ZINC001307924206 1065684459 /nfs/dbraw/zinc/68/44/59/1065684459.db2.gz QGJYUSYXWMWVDX-UHFFFAOYSA-N 1 0 312.457 4.373 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C ZINC001307925228 1065685249 /nfs/dbraw/zinc/68/52/49/1065685249.db2.gz YLLDCUMVTNVMIZ-CVEARBPZSA-N 1 0 320.502 4.336 20 30 DIEDRO Cc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c2ccccc2n1 ZINC001307923666 1065685253 /nfs/dbraw/zinc/68/52/53/1065685253.db2.gz LSGBKBXFDAPPHS-UHFFFAOYSA-N 1 0 315.420 4.440 20 30 DIEDRO CCCc1ccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC001307957993 1065699879 /nfs/dbraw/zinc/69/98/79/1065699879.db2.gz PLNAGQGWUQHAPY-UHFFFAOYSA-N 1 0 319.452 4.285 20 30 DIEDRO CCOCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC001307998093 1065716178 /nfs/dbraw/zinc/71/61/78/1065716178.db2.gz YLSZFHFMFPMDKW-OAQYLSRUSA-N 1 0 320.436 4.084 20 30 DIEDRO N#Cc1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC001307998091 1065718124 /nfs/dbraw/zinc/71/81/24/1065718124.db2.gz YLKHOMHMIJAYLO-NHCUHLMSSA-N 1 0 320.436 4.253 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2cccc(Cl)c2C)CCCCC1 ZINC001308002267 1065719361 /nfs/dbraw/zinc/71/93/61/1065719361.db2.gz BUBAALAXBBDRRO-UHFFFAOYSA-N 1 0 320.864 4.456 20 30 DIEDRO C=C(Br)C[NH2+]C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC001308038064 1065735119 /nfs/dbraw/zinc/73/51/19/1065735119.db2.gz OFGNFTMNTJDUKG-UHFFFAOYSA-N 1 0 322.168 4.439 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC001308041462 1065738368 /nfs/dbraw/zinc/73/83/68/1065738368.db2.gz UQBYXMUPZPCKHV-SFHVURJKSA-N 1 0 323.440 4.247 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1C#N ZINC001308066371 1065747028 /nfs/dbraw/zinc/74/70/28/1065747028.db2.gz LPAATKFIEBYCMH-OAHLLOKOSA-N 1 0 312.363 4.134 20 30 DIEDRO C#CC[N@@H+](CCN(C)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001308104523 1065765176 /nfs/dbraw/zinc/76/51/76/1065765176.db2.gz QLOGRRBMZUIYPQ-JOCHJYFZSA-N 1 0 318.464 4.136 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001308119737 1065770075 /nfs/dbraw/zinc/77/00/75/1065770075.db2.gz FGSXVMDICXUYSA-SJFMBGHLSA-N 1 0 318.420 4.115 20 30 DIEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC001308124273 1065771955 /nfs/dbraw/zinc/77/19/55/1065771955.db2.gz JQGNXHTYMSKXCR-GOSISDBHSA-N 1 0 314.429 4.356 20 30 DIEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC001308125450 1065772015 /nfs/dbraw/zinc/77/20/15/1065772015.db2.gz QEAOTBOJOAPWRX-HTWSVDAQSA-N 1 0 302.487 4.475 20 30 DIEDRO FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1Cl ZINC001308140943 1065778618 /nfs/dbraw/zinc/77/86/18/1065778618.db2.gz NPJMAJWWFLZDTC-ZXFUBFMLSA-N 1 0 305.824 4.294 20 30 DIEDRO N#CC1(CC[N@@H+]2CCO[C@@H](c3ccccc3)CC2)CCCCC1 ZINC001308159163 1065785535 /nfs/dbraw/zinc/78/55/35/1065785535.db2.gz AZRRDBZQZJOHCG-LJQANCHMSA-N 1 0 312.457 4.314 20 30 DIEDRO CCCCCCC[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC001308184724 1065795514 /nfs/dbraw/zinc/79/55/14/1065795514.db2.gz OUIFZWGZQXFVMC-UHFFFAOYSA-N 1 0 303.425 4.380 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC001308190924 1065801104 /nfs/dbraw/zinc/80/11/04/1065801104.db2.gz OBKYQXRENYPLTD-QAPCUYQASA-N 1 0 312.457 4.260 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cccc(C)c1C)C(C)C ZINC001308198147 1065806158 /nfs/dbraw/zinc/80/61/58/1065806158.db2.gz UVVVPKVXPJEORI-FQEVSTJZSA-N 1 0 300.490 4.092 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC001308209967 1065816974 /nfs/dbraw/zinc/81/69/74/1065816974.db2.gz OYRITKMCUJJRTB-IAGOWNOFSA-N 1 0 321.468 4.195 20 30 DIEDRO C=CC[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)c1ccncc1 ZINC001308272741 1065872012 /nfs/dbraw/zinc/87/20/12/1065872012.db2.gz IYRLLYHGMVVHNO-AJNOYIKESA-N 1 0 300.352 4.280 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC001308296285 1065892790 /nfs/dbraw/zinc/89/27/90/1065892790.db2.gz XWWRYGGBTILYKA-YJBOKZPZSA-N 1 0 317.860 4.410 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2(CC(C)C)CCC2)cc(OC)c1O ZINC001308328584 1065916763 /nfs/dbraw/zinc/91/67/63/1065916763.db2.gz IKBCVHIXAYDAOO-UHFFFAOYSA-N 1 0 317.473 4.435 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC001308332466 1065920029 /nfs/dbraw/zinc/92/00/29/1065920029.db2.gz TXPIVCVWCCLGTC-ILXRZTDVSA-N 1 0 322.855 4.392 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)C1 ZINC001308332468 1065920323 /nfs/dbraw/zinc/92/03/23/1065920323.db2.gz TXPIVCVWCCLGTC-QLFBSQMISA-N 1 0 322.855 4.392 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC001308346397 1065930102 /nfs/dbraw/zinc/93/01/02/1065930102.db2.gz WQNHXZLTSRBTCM-KRWDZBQOSA-N 1 0 310.441 4.495 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC001308346398 1065930360 /nfs/dbraw/zinc/93/03/60/1065930360.db2.gz WQNHXZLTSRBTCM-QGZVFWFLSA-N 1 0 310.441 4.495 20 30 DIEDRO C=CCCOCC[NH2+]Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC001308360977 1065939717 /nfs/dbraw/zinc/93/97/17/1065939717.db2.gz NKNJNQAEKIXMLP-UHFFFAOYSA-N 1 0 316.470 4.109 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCCc4ccccc4C3)CC2)c1 ZINC001308401710 1065966072 /nfs/dbraw/zinc/96/60/72/1065966072.db2.gz RBUBVALGPIVLTF-HXUWFJFHSA-N 1 0 302.421 4.085 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001308408242 1065967922 /nfs/dbraw/zinc/96/79/22/1065967922.db2.gz OLEWWMSTYZFNBG-UHFFFAOYSA-N 1 0 318.461 4.013 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC001308411737 1065970380 /nfs/dbraw/zinc/97/03/80/1065970380.db2.gz FUELCGRWSXHFCL-UHFFFAOYSA-N 1 0 309.457 4.281 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC001308414965 1065972875 /nfs/dbraw/zinc/97/28/75/1065972875.db2.gz BQGOZHRNXNQIDQ-IFMALSPDSA-N 1 0 319.448 4.372 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CCc2cc3ccccc3s2)cc1 ZINC001308416968 1065974633 /nfs/dbraw/zinc/97/46/33/1065974633.db2.gz PHPIFTQUYAMZHG-UHFFFAOYSA-N 1 0 321.445 4.246 20 30 DIEDRO CCOc1ccc(C[C@H](C)C[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC001308428150 1065981707 /nfs/dbraw/zinc/98/17/07/1065981707.db2.gz VSYNDEUTENRLCC-INIZCTEOSA-N 1 0 322.452 4.234 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC001308442353 1065990662 /nfs/dbraw/zinc/99/06/62/1065990662.db2.gz FSFKQGGYLLAJTN-FPOVZHCZSA-N 1 0 307.437 4.343 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC001308463179 1066004543 /nfs/dbraw/zinc/00/45/43/1066004543.db2.gz YZVCWFXCEDCTLF-INIZCTEOSA-N 1 0 322.452 4.413 20 30 DIEDRO Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001308498491 1066028742 /nfs/dbraw/zinc/02/87/42/1066028742.db2.gz YMALYHKQAHSCSC-SFHVURJKSA-N 1 0 310.828 4.086 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC001308509492 1066034987 /nfs/dbraw/zinc/03/49/87/1066034987.db2.gz BSNRXDAZSZAJGF-YEORSEQZSA-N 1 0 313.775 4.223 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC001308510626 1066038212 /nfs/dbraw/zinc/03/82/12/1066038212.db2.gz YHYAYHIMYWCSQV-UHFFFAOYSA-N 1 0 311.429 4.351 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1CCC(=C)CC1 ZINC001308514304 1066039291 /nfs/dbraw/zinc/03/92/91/1066039291.db2.gz WJLUEKOXCZCLMO-UHFFFAOYSA-N 1 0 303.833 4.188 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cccc3ncccc23)cc1C#N ZINC001308519961 1066042864 /nfs/dbraw/zinc/04/28/64/1066042864.db2.gz OCANBKITSVQDGO-UHFFFAOYSA-N 1 0 319.433 4.118 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2[nH]ccc21 ZINC001308528821 1066048189 /nfs/dbraw/zinc/04/81/89/1066048189.db2.gz ARJSHXPDYCRHTN-UHFFFAOYSA-N 1 0 303.409 4.150 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC001308561313 1066068856 /nfs/dbraw/zinc/06/88/56/1066068856.db2.gz VSVDUMPNFZRDFB-UHFFFAOYSA-N 1 0 317.326 4.165 20 30 DIEDRO Cc1cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)ccc1C#N ZINC001308565050 1066076374 /nfs/dbraw/zinc/07/63/74/1066076374.db2.gz OYILYQBCOKEKAV-UTKZUKDTSA-N 1 0 304.437 4.492 20 30 DIEDRO CCNc1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001308579318 1066093413 /nfs/dbraw/zinc/09/34/13/1066093413.db2.gz WVACQONLPJEPKZ-FPOVZHCZSA-N 1 0 319.452 4.390 20 30 DIEDRO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001308580473 1066095393 /nfs/dbraw/zinc/09/53/93/1066095393.db2.gz SUATWURETRPRHH-QGZVFWFLSA-N 1 0 312.363 4.044 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001308596224 1066107069 /nfs/dbraw/zinc/10/70/69/1066107069.db2.gz KDDWPIKGPZRYCZ-UONOGXRCSA-N 1 0 323.889 4.068 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)ccc1C#N ZINC001308595914 1066107095 /nfs/dbraw/zinc/10/70/95/1066107095.db2.gz FTZLQIFNQQESST-FQEVSTJZSA-N 1 0 320.436 4.082 20 30 DIEDRO CC(C)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)cc1F ZINC001308610078 1066116780 /nfs/dbraw/zinc/11/67/80/1066116780.db2.gz CAXCMGDNWFLJKW-UHFFFAOYSA-N 1 0 310.416 4.398 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1F)Cc1c(C)cc(OC)cc1O ZINC001308613903 1066119430 /nfs/dbraw/zinc/11/94/30/1066119430.db2.gz PJPPKUPKRPLMLJ-UHFFFAOYSA-N 1 0 315.388 4.037 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(OC)c1 ZINC001308621854 1066123107 /nfs/dbraw/zinc/12/31/07/1066123107.db2.gz FUPITTLXGOYBKV-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(O)cc(Cl)c1 ZINC001308632119 1066128155 /nfs/dbraw/zinc/12/81/55/1066128155.db2.gz KTRRLYZLVAPLCC-UHFFFAOYSA-N 1 0 301.817 4.276 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC001308643390 1066133846 /nfs/dbraw/zinc/13/38/46/1066133846.db2.gz QNCGFUANTZZJNP-ZBEGNZNMSA-N 1 0 320.845 4.139 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+](C)CC1CCCCC1 ZINC001308660156 1066142217 /nfs/dbraw/zinc/14/22/17/1066142217.db2.gz HIYIZOSEXBDZBH-UHFFFAOYSA-N 1 0 305.849 4.364 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC001308692856 1066183734 /nfs/dbraw/zinc/18/37/34/1066183734.db2.gz PEDSAFKILYOMEN-WMZOPIPTSA-N 1 0 306.494 4.035 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001308703108 1066188881 /nfs/dbraw/zinc/18/88/81/1066188881.db2.gz GQXBHOHENYLGHG-DNVCBOLYSA-N 1 0 315.436 4.373 20 30 DIEDRO N#CCC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC001308728750 1066204352 /nfs/dbraw/zinc/20/43/52/1066204352.db2.gz SVRIVQARRVYCGH-WBVHZDCISA-N 1 0 302.849 4.335 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1csc(C#N)c1 ZINC001308745060 1066219657 /nfs/dbraw/zinc/21/96/57/1066219657.db2.gz SACSQRVXIKRUKK-KRWDZBQOSA-N 1 0 300.427 4.211 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001308751708 1066225133 /nfs/dbraw/zinc/22/51/33/1066225133.db2.gz WNAUMWVICLWAAT-LTIDMASMSA-N 1 0 324.509 4.355 20 30 DIEDRO C=C(C)C[N@H+](C/C=C/c1cccc(F)c1)Cc1ccc(CO)o1 ZINC001308757074 1066230828 /nfs/dbraw/zinc/23/08/28/1066230828.db2.gz APWYCNODNBVMPS-GQCTYLIASA-N 1 0 315.388 4.003 20 30 DIEDRO Cc1c(Cl)cccc1N1CCC[N@@H+](C[C@@H](C)CCC#N)CC1 ZINC001308762902 1066236341 /nfs/dbraw/zinc/23/63/41/1066236341.db2.gz VCIUPRRRMKXQJG-HNNXBMFYSA-N 1 0 319.880 4.100 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](CC)Cc2ccc(C)cc2)cc1 ZINC001308778883 1066250714 /nfs/dbraw/zinc/25/07/14/1066250714.db2.gz ZDVROYSVZRYAPX-FQEVSTJZSA-N 1 0 307.437 4.118 20 30 DIEDRO C=CCC[C@H](CCC)[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC001308781530 1066255442 /nfs/dbraw/zinc/25/54/42/1066255442.db2.gz DLNYNOAESMRORZ-SFHVURJKSA-N 1 0 316.493 4.473 20 30 DIEDRO C#C[C@@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC001308787347 1066261237 /nfs/dbraw/zinc/26/12/37/1066261237.db2.gz RUFPNQUHBKRXGC-OAJJDEHYSA-N 1 0 301.311 4.081 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001308786211 1066262327 /nfs/dbraw/zinc/26/23/27/1066262327.db2.gz KSVYQSUWJSVVCU-BFUOFWGJSA-N 1 0 317.354 4.389 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(C)(C)C ZINC001308794308 1066272009 /nfs/dbraw/zinc/27/20/09/1066272009.db2.gz KTCLRIREMGQJKB-FQEVSTJZSA-N 1 0 323.436 4.109 20 30 DIEDRO C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001308820917 1066296879 /nfs/dbraw/zinc/29/68/79/1066296879.db2.gz TWMDWJJVOKDUQM-ZDUSSCGKSA-N 1 0 308.356 4.164 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001308824780 1066300975 /nfs/dbraw/zinc/30/09/75/1066300975.db2.gz ULPNVKYQWKFTQM-GOSISDBHSA-N 1 0 308.400 4.465 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308828630 1066305127 /nfs/dbraw/zinc/30/51/27/1066305127.db2.gz HHQMCJSJYXCNGO-HRCADAONSA-N 1 0 324.509 4.403 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001308830878 1066307320 /nfs/dbraw/zinc/30/73/20/1066307320.db2.gz WZRWWTPNZXQGEX-ZWKOTPCHSA-N 1 0 316.489 4.246 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nccc2ccccc21 ZINC001308836698 1066311395 /nfs/dbraw/zinc/31/13/95/1066311395.db2.gz VKAMASSQRBMALJ-HNNXBMFYSA-N 1 0 301.393 4.152 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC001308867105 1066348993 /nfs/dbraw/zinc/34/89/93/1066348993.db2.gz JHWJUQBGQCOHGO-HZPDHXFCSA-N 1 0 300.446 4.251 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001308872153 1066351703 /nfs/dbraw/zinc/35/17/03/1066351703.db2.gz PCVMGLZLIHFXCR-WUJZJPHMSA-N 1 0 322.493 4.110 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC001308873046 1066354040 /nfs/dbraw/zinc/35/40/40/1066354040.db2.gz RAVNNVGOBBGJEH-UHFFFAOYSA-N 1 0 322.168 4.476 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308881432 1066360275 /nfs/dbraw/zinc/36/02/75/1066360275.db2.gz WQFRIQSJLWYRLZ-LLVKDONJSA-N 1 0 314.307 4.012 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC001308895152 1066376427 /nfs/dbraw/zinc/37/64/27/1066376427.db2.gz NAGQGDSNXYWEKO-QUCCMNQESA-N 1 0 314.517 4.479 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001308919173 1066395884 /nfs/dbraw/zinc/39/58/84/1066395884.db2.gz PKHQFNZQVKXLPJ-XJKSGUPXSA-N 1 0 315.379 4.463 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)CC(C)(C)C#N)cc1Br ZINC001308928065 1066402943 /nfs/dbraw/zinc/40/29/43/1066402943.db2.gz NDDRZSUCFUDQRD-GFCCVEGCSA-N 1 0 309.251 4.176 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC001308927459 1066403378 /nfs/dbraw/zinc/40/33/78/1066403378.db2.gz IHAUFXGVIUZVJM-UHFFFAOYSA-N 1 0 305.853 4.309 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC001308931394 1066405475 /nfs/dbraw/zinc/40/54/75/1066405475.db2.gz RMXGZJBAKVJRRO-AWEZNQCLSA-N 1 0 307.865 4.466 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC001308934077 1066407233 /nfs/dbraw/zinc/40/72/33/1066407233.db2.gz UVXVTLYJAPWCTL-SFHVURJKSA-N 1 0 309.457 4.033 20 30 DIEDRO CSCC1CCC([NH2+]Cc2ccc(SC)c(C#N)c2)CC1 ZINC001308939160 1066410373 /nfs/dbraw/zinc/41/03/73/1066410373.db2.gz VLJYPGPOFUWNNR-UHFFFAOYSA-N 1 0 320.527 4.292 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](c2nc(CC)no2)C1 ZINC001308958554 1066419468 /nfs/dbraw/zinc/41/94/68/1066419468.db2.gz HTPOVFPPWJOURD-XHSDSOJGSA-N 1 0 305.466 4.383 20 30 DIEDRO CCSc1cccc(C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC001308958426 1066420061 /nfs/dbraw/zinc/42/00/61/1066420061.db2.gz NBNRZRMHILEWEY-UHFFFAOYSA-N 1 0 302.468 4.364 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001308967499 1066424782 /nfs/dbraw/zinc/42/47/82/1066424782.db2.gz HMDNTFYAMZYGEO-YVSFHVDLSA-N 1 0 322.493 4.251 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308969482 1066425246 /nfs/dbraw/zinc/42/52/46/1066425246.db2.gz SVKKRHLCMPAMQQ-IAGOWNOFSA-N 1 0 324.509 4.310 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](Cc1ccccc1)c1ccccn1 ZINC001308982218 1066432002 /nfs/dbraw/zinc/43/20/02/1066432002.db2.gz ARPAAYPUZKGRHR-MJGOQNOKSA-N 1 0 321.468 4.326 20 30 DIEDRO Cc1ccc(C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cn1 ZINC000442893141 338438875 /nfs/dbraw/zinc/43/88/75/338438875.db2.gz ADWUGQHKHWGJSO-MRXNPFEDSA-N 1 0 305.425 4.202 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000280941639 334967745 /nfs/dbraw/zinc/96/77/45/334967745.db2.gz WBJNIYPQKSIWFC-JOQOYGCGSA-N 1 0 315.413 4.073 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccco1 ZINC000285938800 335028318 /nfs/dbraw/zinc/02/83/18/335028318.db2.gz DHNPIPWJAHDUQN-ICSGCJEQSA-N 1 0 317.454 4.375 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000286029099 335031748 /nfs/dbraw/zinc/03/17/48/335031748.db2.gz JDCTXYZDLQXORS-QFBILLFUSA-N 1 0 323.436 4.427 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000286378357 335033657 /nfs/dbraw/zinc/03/36/57/335033657.db2.gz ANAAZZZCTYIFGP-HXUWFJFHSA-N 1 0 308.425 4.277 20 30 DIEDRO Cc1nc2ccc(C[N@@H+](C)Cc3cccc(C#N)c3)cc2s1 ZINC000426038553 335042921 /nfs/dbraw/zinc/04/29/21/335042921.db2.gz ZPXABDZSBSWVEB-UHFFFAOYSA-N 1 0 307.422 4.108 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2sc(CC)nc2C)cc1 ZINC000287572321 335044693 /nfs/dbraw/zinc/04/46/93/335044693.db2.gz QPYNEJLIDNERAS-ZDUSSCGKSA-N 1 0 316.470 4.430 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(NC(=O)OC)c1)c1ccco1 ZINC000287405557 335045983 /nfs/dbraw/zinc/04/59/83/335045983.db2.gz JICPPFUVFVIBRR-MRXNPFEDSA-N 1 0 314.385 4.255 20 30 DIEDRO N#Cc1csc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)n1 ZINC000564537472 335058089 /nfs/dbraw/zinc/05/80/89/335058089.db2.gz VNZFXEKCERWZLY-KURKYZTESA-N 1 0 323.465 4.173 20 30 DIEDRO Cc1c([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cccc1[N+](=O)[O-] ZINC000272308988 130018659 /nfs/dbraw/zinc/01/86/59/130018659.db2.gz SSXIRQSCCCPRQS-AWEZNQCLSA-N 1 0 321.380 4.115 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284985927 131127999 /nfs/dbraw/zinc/12/79/99/131127999.db2.gz YFANTFYTCSHSFC-BYCMXARLSA-N 1 0 309.240 4.135 20 30 DIEDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)cc1C#N ZINC000340197107 131133945 /nfs/dbraw/zinc/13/39/45/131133945.db2.gz ZTSBHUFEMKIGMG-RHSMWYFYSA-N 1 0 310.397 4.133 20 30 DIEDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)cc1C#N ZINC000340197108 131134074 /nfs/dbraw/zinc/13/40/74/131134074.db2.gz ZTSBHUFEMKIGMG-WMLDXEAASA-N 1 0 310.397 4.133 20 30 DIEDRO CSCc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000285557608 131180571 /nfs/dbraw/zinc/18/05/71/131180571.db2.gz FNQUGPPCSSTWCE-CYBMUJFWSA-N 1 0 314.429 4.411 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000288519157 131328684 /nfs/dbraw/zinc/32/86/84/131328684.db2.gz ULEYEGMCCZAJNZ-ZWNOBZJWSA-N 1 0 302.365 4.078 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000293273490 131722535 /nfs/dbraw/zinc/72/25/35/131722535.db2.gz CKFAPEAZFAKZLJ-IFXJQAMLSA-N 1 0 322.408 4.147 20 30 DIEDRO C[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1ccc(C#N)cc1 ZINC000298385133 132060334 /nfs/dbraw/zinc/06/03/34/132060334.db2.gz FBCFNAFVSHBLSE-OAHLLOKOSA-N 1 0 323.415 4.148 20 30 DIEDRO COCc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000121848124 132160134 /nfs/dbraw/zinc/16/01/34/132160134.db2.gz SEIACKTXFHMBID-GJZGRUSLSA-N 1 0 324.424 4.125 20 30 DIEDRO COCc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000121848582 132160544 /nfs/dbraw/zinc/16/05/44/132160544.db2.gz SEIACKTXFHMBID-HUUCEWRRSA-N 1 0 324.424 4.125 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](c3ccccc3F)C1)CC2 ZINC000570863567 332832195 /nfs/dbraw/zinc/83/21/95/332832195.db2.gz VLPUKCHHDNXFNS-FTRWYGJKSA-N 1 0 306.384 4.220 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000229860411 332895187 /nfs/dbraw/zinc/89/51/87/332895187.db2.gz INKLQXNNCYLDMQ-HNNXBMFYSA-N 1 0 312.251 4.083 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000116927045 331467766 /nfs/dbraw/zinc/46/77/66/331467766.db2.gz RDPUMUQGCREDAO-AWEZNQCLSA-N 1 0 302.443 4.085 20 30 DIEDRO CC[NH+](CC)CCC[C@H](C)Nc1cccc(C(F)F)c1C#N ZINC000583332259 331482375 /nfs/dbraw/zinc/48/23/75/331482375.db2.gz AOTRMQIKLPGVLJ-ZDUSSCGKSA-N 1 0 309.404 4.418 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000179800995 331543982 /nfs/dbraw/zinc/54/39/82/331543982.db2.gz VJKAQTQYSPJPNK-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1cc3ccccc3o1)CC2 ZINC000584023232 331584743 /nfs/dbraw/zinc/58/47/43/331584743.db2.gz BVNFICXPPQAQOH-LJQANCHMSA-N 1 0 302.377 4.124 20 30 DIEDRO C=C(Cl)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000298701011 331667283 /nfs/dbraw/zinc/66/72/83/331667283.db2.gz ZWHZONYMZQMVNV-UHFFFAOYSA-N 1 0 319.754 4.053 20 30 DIEDRO CSCCCCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000569327845 331699965 /nfs/dbraw/zinc/69/99/65/331699965.db2.gz LZRBCQUAMTWQGX-UHFFFAOYSA-N 1 0 316.392 4.200 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000565495876 331703455 /nfs/dbraw/zinc/70/34/55/331703455.db2.gz SSKZDBZPSURYGD-HNNXBMFYSA-N 1 0 302.462 4.212 20 30 DIEDRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556600003 331719268 /nfs/dbraw/zinc/71/92/68/331719268.db2.gz DRWUNFPOKFBNNE-BEVDRBHNSA-N 1 0 302.421 4.329 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000557218166 331777046 /nfs/dbraw/zinc/77/70/46/331777046.db2.gz YEJKNDSENRSROL-INIZCTEOSA-N 1 0 313.420 4.061 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCc1cn(-c2ccccc2)nc1C ZINC000557248236 331778732 /nfs/dbraw/zinc/77/87/32/331778732.db2.gz XRBYJDHALWDJLN-IRXDYDNUSA-N 1 0 311.473 4.304 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CC)c1nnc2n1CCCCC2 ZINC000449114289 331802340 /nfs/dbraw/zinc/80/23/40/331802340.db2.gz ZCPKHKRSKIDCFV-HZPDHXFCSA-N 1 0 304.482 4.180 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)c(F)c1 ZINC000558156394 331880596 /nfs/dbraw/zinc/88/05/96/331880596.db2.gz HANDIZMVIUUXKX-LBPRGKRZSA-N 1 0 302.780 4.396 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)c1ccco1 ZINC000558257752 331890172 /nfs/dbraw/zinc/89/01/72/331890172.db2.gz NZWXGPUJRQVASR-WMLDXEAASA-N 1 0 319.832 4.306 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OC1CCC1)CC2 ZINC000558493256 331912990 /nfs/dbraw/zinc/91/29/90/331912990.db2.gz LJJDNHRWRNDQSF-HXUWFJFHSA-N 1 0 318.420 4.267 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ncc(-c2ccccc2)n1C ZINC000517865202 331974990 /nfs/dbraw/zinc/97/49/90/331974990.db2.gz IYHHPHMQVMVJDG-GTPINHCMSA-N 1 0 322.456 4.068 20 30 DIEDRO C=CCOCC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000559147028 331982088 /nfs/dbraw/zinc/98/20/88/331982088.db2.gz KDMMPUQVUAHMAW-INIZCTEOSA-N 1 0 324.262 4.083 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000559147669 331982244 /nfs/dbraw/zinc/98/22/44/331982244.db2.gz BKSLUZBMWXPGHZ-MRXNPFEDSA-N 1 0 311.425 4.215 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)ccc1OC ZINC000518248389 332000239 /nfs/dbraw/zinc/00/02/39/332000239.db2.gz GLCDHWHJHOCBFH-NVXWUHKLSA-N 1 0 303.446 4.318 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518246493 332000380 /nfs/dbraw/zinc/00/03/80/332000380.db2.gz KSVDYFHPAHDVCS-AUSJPIAWSA-N 1 0 306.409 4.053 20 30 DIEDRO Cc1cccc(C[NH2+]CCSCc2ccccc2C#N)c1C ZINC000518271266 332003907 /nfs/dbraw/zinc/00/39/07/332003907.db2.gz QXOILNDLEHISON-UHFFFAOYSA-N 1 0 310.466 4.198 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000518275333 332005166 /nfs/dbraw/zinc/00/51/66/332005166.db2.gz PXGLBUKGMFNHSS-MNZLEMJZSA-N 1 0 300.446 4.283 20 30 DIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)c3cccc(C#N)c3)C2)cc1F ZINC000409848178 332058881 /nfs/dbraw/zinc/05/88/81/332058881.db2.gz ZPULRHAIFALMAO-FSPWUOQZSA-N 1 0 324.399 4.303 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000090665399 332092188 /nfs/dbraw/zinc/09/21/88/332092188.db2.gz OODDZLUTQLKVMQ-MAUKXSAKSA-N 1 0 322.408 4.153 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000518625573 332100440 /nfs/dbraw/zinc/10/04/40/332100440.db2.gz HOZYRXRNQUCBOD-NQYLQCIDSA-N 1 0 324.399 4.268 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1-c1ccccc1 ZINC000092035750 332101752 /nfs/dbraw/zinc/10/17/52/332101752.db2.gz XERNETBLJJSQLV-UHFFFAOYSA-N 1 0 302.377 4.450 20 30 DIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000569509192 332112413 /nfs/dbraw/zinc/11/24/13/332112413.db2.gz YJEQISYKSFAOLL-JKSUJKDBSA-N 1 0 308.425 4.043 20 30 DIEDRO CC(C)C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000410340163 332113175 /nfs/dbraw/zinc/11/31/75/332113175.db2.gz MKTLQNSLISVOMD-UHFFFAOYSA-N 1 0 314.473 4.245 20 30 DIEDRO N#CCCCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000092808947 332131413 /nfs/dbraw/zinc/13/14/13/332131413.db2.gz LIAYEONCBVUWHF-UHFFFAOYSA-N 1 0 300.352 4.338 20 30 DIEDRO C=CCCC[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000448026117 332194192 /nfs/dbraw/zinc/19/41/92/332194192.db2.gz HBQDBBOCDVJKAS-HNNXBMFYSA-N 1 0 303.450 4.177 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000538196173 332209644 /nfs/dbraw/zinc/20/96/44/332209644.db2.gz XBLMIPRHEIUWJC-KGLIPLIRSA-N 1 0 319.445 4.389 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000536498376 332253116 /nfs/dbraw/zinc/25/31/16/332253116.db2.gz UNAXIEWMVXIPBL-LJQANCHMSA-N 1 0 318.892 4.348 20 30 DIEDRO C[N@H+](CCc1c(F)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000531103746 332263065 /nfs/dbraw/zinc/26/30/65/332263065.db2.gz REMAJAHGSJTSIX-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C=CC(C)(C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000449485711 332286634 /nfs/dbraw/zinc/28/66/34/332286634.db2.gz OFDGGZNLFBSFTJ-UHFFFAOYSA-N 1 0 306.881 4.106 20 30 DIEDRO N#CCSCCC[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000152500392 332301344 /nfs/dbraw/zinc/30/13/44/332301344.db2.gz KRSRERVNGYXCDE-MSOLQXFVSA-N 1 0 300.471 4.035 20 30 DIEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000560083048 332309613 /nfs/dbraw/zinc/30/96/13/332309613.db2.gz RWJRPVSCFOUDHA-GOSISDBHSA-N 1 0 301.817 4.034 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)CC3 ZINC000560116543 332312176 /nfs/dbraw/zinc/31/21/76/332312176.db2.gz KBOLDVSVAQPQPE-ZGOJQLDESA-N 1 0 321.468 4.396 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000152978965 332332264 /nfs/dbraw/zinc/33/22/64/332332264.db2.gz RBUFTZNECFTZTI-BBRMVZONSA-N 1 0 322.543 4.304 20 30 DIEDRO COc1ccc(C[NH2+]CCC2CCCC2)cc1OCCCC#N ZINC000237342705 332343459 /nfs/dbraw/zinc/34/34/59/332343459.db2.gz STTMXKUJBJYFDA-UHFFFAOYSA-N 1 0 316.445 4.048 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccco1 ZINC000560521420 332349920 /nfs/dbraw/zinc/34/99/20/332349920.db2.gz OTSIXSOPNYPRPP-GJZGRUSLSA-N 1 0 304.459 4.241 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000560526889 332351387 /nfs/dbraw/zinc/35/13/87/332351387.db2.gz IDJYZCAXHGWMCZ-INIZCTEOSA-N 1 0 300.358 4.027 20 30 DIEDRO C=C(C)C[N@H+](C/C=C/c1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000564498022 332379717 /nfs/dbraw/zinc/37/97/17/332379717.db2.gz QKPAEPIAHWQVHW-ONEGZZNKSA-N 1 0 315.388 4.003 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(OCCCC#N)c2)ccc1F ZINC000237637503 332380809 /nfs/dbraw/zinc/38/08/09/332380809.db2.gz VLJXWIFGXCAIGT-UHFFFAOYSA-N 1 0 312.388 4.107 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CCCc2ccccc2)c1 ZINC000237819157 332391691 /nfs/dbraw/zinc/39/16/91/332391691.db2.gz PTVIJXRVJWKJON-UHFFFAOYSA-N 1 0 308.425 4.092 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000237825592 332392938 /nfs/dbraw/zinc/39/29/38/332392938.db2.gz KBSOJJLDVJBFPS-GOSISDBHSA-N 1 0 310.397 4.129 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2cccc(F)c2C#N)C(C)C)cc1 ZINC000428293318 332434173 /nfs/dbraw/zinc/43/41/73/332434173.db2.gz ANDQYGHBXABRQX-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000155505867 332449057 /nfs/dbraw/zinc/44/90/57/332449057.db2.gz DJSUNIMKIJKUQM-LJQANCHMSA-N 1 0 309.409 4.255 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000150938077 332458512 /nfs/dbraw/zinc/45/85/12/332458512.db2.gz QWEGFFDVKCPICM-GOSISDBHSA-N 1 0 300.352 4.467 20 30 DIEDRO CC(C)O[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000428318101 332458520 /nfs/dbraw/zinc/45/85/20/332458520.db2.gz ZTWVDJMWNGTWPA-OXJNMPFZSA-N 1 0 308.425 4.375 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000562078349 332543016 /nfs/dbraw/zinc/54/30/16/332543016.db2.gz CAYPESVXYOKVNG-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(Cc3ccc(F)cc3)CC1)CC2 ZINC000562090321 332545274 /nfs/dbraw/zinc/54/52/74/332545274.db2.gz QQKPVXIGKMWOEO-HXUWFJFHSA-N 1 0 320.411 4.297 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000569639992 332589705 /nfs/dbraw/zinc/58/97/05/332589705.db2.gz VLXNLBKVPDVCPQ-PMACEKPBSA-N 1 0 304.437 4.122 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000569639993 332589754 /nfs/dbraw/zinc/58/97/54/332589754.db2.gz VLXNLBKVPDVCPQ-VQTJNVASSA-N 1 0 304.437 4.122 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000159104613 332602142 /nfs/dbraw/zinc/60/21/42/332602142.db2.gz NNQCTWFIWZZMOD-MCIONIFRSA-N 1 0 323.362 4.231 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000564760943 332638090 /nfs/dbraw/zinc/63/80/90/332638090.db2.gz MLGHBSFDYDGXOW-CJNGLKHVSA-N 1 0 317.379 4.219 20 30 DIEDRO CCc1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000171757314 332651298 /nfs/dbraw/zinc/65/12/98/332651298.db2.gz LQBKVLVTISFACG-ZDUSSCGKSA-N 1 0 300.427 4.064 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1sccc1Br ZINC000569756945 332675911 /nfs/dbraw/zinc/67/59/11/332675911.db2.gz GAYWSCAYNJZZHP-SNVBAGLBSA-N 1 0 315.280 4.491 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1cccc(C#N)c1 ZINC000152457989 332700804 /nfs/dbraw/zinc/70/08/04/332700804.db2.gz ZPGJBQUHGHPNTI-UHFFFAOYSA-N 1 0 305.425 4.075 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000570122210 332714863 /nfs/dbraw/zinc/71/48/63/332714863.db2.gz GUSATUNVUFSAKL-SRCQZFHVSA-N 1 0 300.402 4.258 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000570122211 332714910 /nfs/dbraw/zinc/71/49/10/332714910.db2.gz GUSATUNVUFSAKL-VMGRFDJRSA-N 1 0 300.402 4.258 20 30 DIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CCCC1 ZINC000537979305 332748461 /nfs/dbraw/zinc/74/84/61/332748461.db2.gz ARZOMTDGLYRZDA-MNNVXMFVSA-N 1 0 312.457 4.417 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000570471124 332759404 /nfs/dbraw/zinc/75/94/04/332759404.db2.gz JYFBHIZSWUJGQV-ZFWWWQNUSA-N 1 0 308.347 4.235 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000580133660 332951981 /nfs/dbraw/zinc/95/19/81/332951981.db2.gz UZCWMAWHXKGAKG-KRWDZBQOSA-N 1 0 302.462 4.056 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000466410978 333018724 /nfs/dbraw/zinc/01/87/24/333018724.db2.gz WKCWXLUXPUTNFW-UHFFFAOYSA-N 1 0 320.367 4.290 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(O)c1 ZINC000181532467 333031074 /nfs/dbraw/zinc/03/10/74/333031074.db2.gz LZFRMXQLPLHMGR-ZDUSSCGKSA-N 1 0 319.326 4.113 20 30 DIEDRO C[C@H]([NH2+]CCCCOCc1ccccc1)c1cccc(C#N)c1 ZINC000181632365 333031253 /nfs/dbraw/zinc/03/12/53/333031253.db2.gz RHEZIKBSICPNRK-KRWDZBQOSA-N 1 0 308.425 4.206 20 30 DIEDRO Cc1ccc(CCC2CC[NH+](Cc3ccc(C#N)cn3)CC2)cc1 ZINC000584327900 333033976 /nfs/dbraw/zinc/03/39/76/333033976.db2.gz IGPMEUGAPKCIOS-UHFFFAOYSA-N 1 0 319.452 4.107 20 30 DIEDRO Cc1cc(C)cc(C[NH2+]CCSCc2ccccc2C#N)c1 ZINC000518769735 333066746 /nfs/dbraw/zinc/06/67/46/333066746.db2.gz XQCFJZRIFOZERW-UHFFFAOYSA-N 1 0 310.466 4.198 20 30 DIEDRO CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(C#N)cc1Cl ZINC000313919180 333077734 /nfs/dbraw/zinc/07/77/34/333077734.db2.gz SSKLRJNAFWAGEQ-ZDUSSCGKSA-N 1 0 316.754 4.374 20 30 DIEDRO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCSCC#N)o1 ZINC000466742850 333082147 /nfs/dbraw/zinc/08/21/47/333082147.db2.gz HNYPNZUIOKFXND-GOEBONIOSA-N 1 0 306.475 4.262 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000174271874 333084282 /nfs/dbraw/zinc/08/42/82/333084282.db2.gz RIBQVIQEUMDJTE-UHFFFAOYSA-N 1 0 314.351 4.047 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2c[nH]c3c2cccc3C)c1 ZINC000462728317 333097193 /nfs/dbraw/zinc/09/71/93/333097193.db2.gz SBRHDQXSDQNGDX-UHFFFAOYSA-N 1 0 320.436 4.373 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000215931934 333100109 /nfs/dbraw/zinc/10/01/09/333100109.db2.gz DWXRNCMYBFTPLY-CABCVRRESA-N 1 0 318.486 4.072 20 30 DIEDRO CC(C)(C[NH2+]Cc1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000462740317 333103799 /nfs/dbraw/zinc/10/37/99/333103799.db2.gz ZKCAFBAZXIRMTG-UHFFFAOYSA-N 1 0 316.807 4.418 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000516755355 333123848 /nfs/dbraw/zinc/12/38/48/333123848.db2.gz ZURXOMLFKFHCQO-MRXNPFEDSA-N 1 0 312.457 4.433 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000582129976 333124329 /nfs/dbraw/zinc/12/43/29/333124329.db2.gz LORJKACKWTWAFC-KGLIPLIRSA-N 1 0 313.832 4.231 20 30 DIEDRO Cc1c([C@H](C)[NH2+]CCCCC#N)cnn1-c1cc(C)ccc1C ZINC000178640750 333141720 /nfs/dbraw/zinc/14/17/20/333141720.db2.gz KHBFIFVMJLTRKC-INIZCTEOSA-N 1 0 310.445 4.142 20 30 DIEDRO C[C@@H]1C[C@H]([NH2+]CCCCC#N)c2cccc(Br)c21 ZINC000178647439 333141992 /nfs/dbraw/zinc/14/19/92/333141992.db2.gz DVMUGHFSOXECRQ-RISCZKNCSA-N 1 0 307.235 4.281 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)cc1Cl ZINC000182062563 333149077 /nfs/dbraw/zinc/14/90/77/333149077.db2.gz WYQLHSXBCFJZIY-CQSZACIVSA-N 1 0 316.832 4.493 20 30 DIEDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179705996 333154636 /nfs/dbraw/zinc/15/46/36/333154636.db2.gz UZIFNUIRQYJOSM-HXUWFJFHSA-N 1 0 323.440 4.045 20 30 DIEDRO C[C@H]1C[C@H]1[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000180025329 333157446 /nfs/dbraw/zinc/15/74/46/333157446.db2.gz CCUKPLSFNLGSHN-WRFANHODSA-N 1 0 301.821 4.070 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180550092 333162814 /nfs/dbraw/zinc/16/28/14/333162814.db2.gz OPPWJWIAIFUXAK-JLTOFOAXSA-N 1 0 324.399 4.141 20 30 DIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCCC#N)cc1 ZINC000181139486 333167635 /nfs/dbraw/zinc/16/76/35/333167635.db2.gz DVPFQAFVDXJTML-LJQANCHMSA-N 1 0 312.388 4.011 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]CCCC(C)(C)C#N)cc1OCC ZINC000181386242 333169158 /nfs/dbraw/zinc/16/91/58/333169158.db2.gz QICUCNAOCRMLCB-OAHLLOKOSA-N 1 0 318.461 4.465 20 30 DIEDRO Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181552786 333170243 /nfs/dbraw/zinc/17/02/43/333170243.db2.gz KDQLTPLDFXPYNF-IAGOWNOFSA-N 1 0 324.424 4.016 20 30 DIEDRO Cc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181824569 333172471 /nfs/dbraw/zinc/17/24/71/333172471.db2.gz DJLCSNKUPCESSR-IAGOWNOFSA-N 1 0 324.424 4.016 20 30 DIEDRO Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181824538 333172513 /nfs/dbraw/zinc/17/25/13/333172513.db2.gz DJLCSNKUPCESSR-SJORKVTESA-N 1 0 324.424 4.016 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC000181843672 333172805 /nfs/dbraw/zinc/17/28/05/333172805.db2.gz XTYVQHSQXSKBDB-JKSUJKDBSA-N 1 0 316.408 4.156 20 30 DIEDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181855188 333172847 /nfs/dbraw/zinc/17/28/47/333172847.db2.gz FWTABFZXSBWDJF-QILLFSRXSA-N 1 0 318.486 4.304 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1cccnc1 ZINC000181868118 333173019 /nfs/dbraw/zinc/17/30/19/333173019.db2.gz ADVOHOHAXVARGE-OXQOHEQNSA-N 1 0 323.440 4.074 20 30 DIEDRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000182004087 333174275 /nfs/dbraw/zinc/17/42/75/333174275.db2.gz BTMVPAUAPRHLEN-QGZVFWFLSA-N 1 0 308.425 4.365 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccc(F)c1F ZINC000182099552 333175730 /nfs/dbraw/zinc/17/57/30/333175730.db2.gz PGOQFJUDWVMVOU-QWHCGFSZSA-N 1 0 316.351 4.279 20 30 DIEDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000183605651 333186398 /nfs/dbraw/zinc/18/63/98/333186398.db2.gz SDHZFDDGLRGRJG-SFHVURJKSA-N 1 0 309.369 4.038 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294478783 335123234 /nfs/dbraw/zinc/12/32/34/335123234.db2.gz XDTKIWHYKWSMNP-HOCLYGCPSA-N 1 0 302.418 4.039 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2csc(-c3ccccc3)n2)C1 ZINC000185760615 333213586 /nfs/dbraw/zinc/21/35/86/333213586.db2.gz RNNMVRBSTFCHEI-HOCLYGCPSA-N 1 0 311.454 4.025 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000185779535 333213828 /nfs/dbraw/zinc/21/38/28/333213828.db2.gz BQYVOBKJIPYHLD-GWCFXTLKSA-N 1 0 300.299 4.016 20 30 DIEDRO CC(C)(C)OCc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185807784 333214414 /nfs/dbraw/zinc/21/44/14/333214414.db2.gz GDPBJJKDQOHJFW-MAUKXSAKSA-N 1 0 300.446 4.174 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)C1 ZINC000185882814 333215491 /nfs/dbraw/zinc/21/54/91/333215491.db2.gz FHVTWJMFYALRPX-DOTOQJQBSA-N 1 0 307.397 4.046 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)C1 ZINC000185882835 333215582 /nfs/dbraw/zinc/21/55/82/333215582.db2.gz FHVTWJMFYALRPX-RDJZCZTQSA-N 1 0 307.397 4.046 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCc1ccncc1C)c1ccc(F)c(F)c1 ZINC000563061198 333226204 /nfs/dbraw/zinc/22/62/04/333226204.db2.gz AHBDPBOGBBKYGR-SFHVURJKSA-N 1 0 302.368 4.118 20 30 DIEDRO CC[N@H+](Cc1cc(OC)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000497619484 333270500 /nfs/dbraw/zinc/27/05/00/333270500.db2.gz SXRIFVMLZKRBHI-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497622053 333270845 /nfs/dbraw/zinc/27/08/45/333270845.db2.gz ZXLFXFAFHFFLPG-HNNXBMFYSA-N 1 0 323.396 4.092 20 30 DIEDRO CC[N@H+](CCOc1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497621978 333270876 /nfs/dbraw/zinc/27/08/76/333270876.db2.gz YPNMRPJYVOVGHM-OAHLLOKOSA-N 1 0 312.388 4.159 20 30 DIEDRO CC[N@H+](CCOc1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621977 333270941 /nfs/dbraw/zinc/27/09/41/333270941.db2.gz YPNMRPJYVOVGHM-HNNXBMFYSA-N 1 0 312.388 4.159 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1csc(Cl)c1 ZINC000191355452 333279611 /nfs/dbraw/zinc/27/96/11/333279611.db2.gz VNMLDXNOONKSFF-NSHDSACASA-N 1 0 306.818 4.155 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192090601 333285150 /nfs/dbraw/zinc/28/51/50/333285150.db2.gz VTFLJLPFVZPEQL-HOTGVXAUSA-N 1 0 324.827 4.229 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C1 ZINC000193298942 333301206 /nfs/dbraw/zinc/30/12/06/333301206.db2.gz DPNWHTIKGUQCHV-RBUKOAKNSA-N 1 0 312.457 4.045 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C1 ZINC000193298975 333301407 /nfs/dbraw/zinc/30/14/07/333301407.db2.gz DPNWHTIKGUQCHV-RTBURBONSA-N 1 0 312.457 4.045 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000111398404 333329315 /nfs/dbraw/zinc/32/93/15/333329315.db2.gz IXSYSHPQDXLTIC-TZIWHRDSSA-N 1 0 320.436 4.262 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000111398405 333329422 /nfs/dbraw/zinc/32/94/22/333329422.db2.gz IXSYSHPQDXLTIC-FPOVZHCZSA-N 1 0 320.436 4.262 20 30 DIEDRO CC(C)(C)c1cccc(OCC[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000463237279 333355417 /nfs/dbraw/zinc/35/54/17/333355417.db2.gz VFXMBKAZNWWHOG-WBVHZDCISA-N 1 0 300.446 4.035 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000295546126 335135646 /nfs/dbraw/zinc/13/56/46/335135646.db2.gz XYKXKQIJGOGGRX-YOEHRIQHSA-N 1 0 307.384 4.273 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000160957932 333369979 /nfs/dbraw/zinc/36/99/79/333369979.db2.gz QFZDTQNYANJXMW-CXAGYDPISA-N 1 0 312.438 4.206 20 30 DIEDRO CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000463286088 333370106 /nfs/dbraw/zinc/37/01/06/333370106.db2.gz KTPPCWQWHIKAND-ZWKOTPCHSA-N 1 0 300.446 4.080 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1Cl ZINC000463286156 333370113 /nfs/dbraw/zinc/37/01/13/333370113.db2.gz AVMVCUSYUZUGRO-OCCSQVGLSA-N 1 0 308.828 4.429 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1ccc(F)cc1C#N)c1ccccc1 ZINC000320784450 335141310 /nfs/dbraw/zinc/14/13/10/335141310.db2.gz HIMOJVGEFJPGLL-IBGZPJMESA-N 1 0 311.404 4.192 20 30 DIEDRO CSc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C#N)c1)CCC2 ZINC000563136627 333395854 /nfs/dbraw/zinc/39/58/54/333395854.db2.gz YYODHTXBAAKTPH-IBGZPJMESA-N 1 0 308.450 4.447 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)C1 ZINC000338994002 333504178 /nfs/dbraw/zinc/50/41/78/333504178.db2.gz AMAKCUWAIAVKDF-BBRMVZONSA-N 1 0 311.404 4.179 20 30 DIEDRO C=CCC[C@@H](NCc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000296415535 335144580 /nfs/dbraw/zinc/14/45/80/335144580.db2.gz LBYXWGLJGVIIGY-CYBMUJFWSA-N 1 0 310.319 4.491 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H]1CCCc2nc(Cl)ccc21)c1ccccc1 ZINC000296913433 335149716 /nfs/dbraw/zinc/14/97/16/335149716.db2.gz PKLCJNQLSUICGW-SJORKVTESA-N 1 0 310.828 4.467 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H](C)CCC#N)ccc1OCCC(C)C ZINC000411445506 333670481 /nfs/dbraw/zinc/67/04/81/333670481.db2.gz AEJBOLFQTIEHOY-CVEARBPZSA-N 1 0 318.461 4.463 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000186036787 335155948 /nfs/dbraw/zinc/15/59/48/335155948.db2.gz PNRLBZCROSDAPL-AWEZNQCLSA-N 1 0 301.459 4.082 20 30 DIEDRO CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442827486 335157421 /nfs/dbraw/zinc/15/74/21/335157421.db2.gz PSEFTWNBWXTZKX-BRWVUGGUSA-N 1 0 302.487 4.456 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)s1 ZINC000343436794 335164284 /nfs/dbraw/zinc/16/42/84/335164284.db2.gz ZQKYJUYWGWGSTP-CQSZACIVSA-N 1 0 310.344 4.403 20 30 DIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)CC(F)(F)F ZINC000414245503 333919398 /nfs/dbraw/zinc/91/93/98/333919398.db2.gz BNUHNZDICJQICK-GHMZBOCLSA-N 1 0 302.315 4.327 20 30 DIEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000414226662 333925178 /nfs/dbraw/zinc/92/51/78/333925178.db2.gz ULNPHGIJGJIPIE-NRFANRHFSA-N 1 0 319.452 4.268 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414294160 333934935 /nfs/dbraw/zinc/93/49/35/333934935.db2.gz DHWPOMHOOYECNK-MJGOQNOKSA-N 1 0 311.473 4.172 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000414299009 333935880 /nfs/dbraw/zinc/93/58/80/333935880.db2.gz JDAXGRWYCSNYNC-VAMGGRTRSA-N 1 0 323.484 4.223 20 30 DIEDRO COCC1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000414316586 333938487 /nfs/dbraw/zinc/93/84/87/333938487.db2.gz URMPAZOLKPICFH-UPQHMETBSA-N 1 0 312.457 4.121 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1cccnc1 ZINC000414333442 333941664 /nfs/dbraw/zinc/94/16/64/333941664.db2.gz MEGWBUNEWQRVBX-HXUWFJFHSA-N 1 0 319.452 4.288 20 30 DIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000414346892 333943365 /nfs/dbraw/zinc/94/33/65/333943365.db2.gz VPIGODJRQKGUJD-FMEYXAORSA-N 1 0 324.399 4.160 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000414355221 333944459 /nfs/dbraw/zinc/94/44/59/333944459.db2.gz YLXDPDQOBMXGEY-AZUAARDMSA-N 1 0 323.415 4.017 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000266499235 333974040 /nfs/dbraw/zinc/97/40/40/333974040.db2.gz BCTWBXKKEOMDJH-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO CCCCOc1ccc([C@H](C)[NH2+]CCCCC#N)cc1OC ZINC000268826876 333994890 /nfs/dbraw/zinc/99/48/90/333994890.db2.gz BGLJVWXXXSNXQI-HNNXBMFYSA-N 1 0 304.434 4.219 20 30 DIEDRO C[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000414525861 334007070 /nfs/dbraw/zinc/00/70/70/334007070.db2.gz KLHMVOZLIFIEOY-DLBZAZTESA-N 1 0 311.454 4.173 20 30 DIEDRO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000271800085 334026947 /nfs/dbraw/zinc/02/69/47/334026947.db2.gz RWKJCJADNUINMB-IBGZPJMESA-N 1 0 324.424 4.229 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000272004725 334029718 /nfs/dbraw/zinc/02/97/18/334029718.db2.gz IRGXUMJVGDMUSV-LBPRGKRZSA-N 1 0 314.351 4.218 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCSc4ccccc43)CC2)c1 ZINC000272272649 334032563 /nfs/dbraw/zinc/03/25/63/334032563.db2.gz NMLVAXPCDLRDEU-QGZVFWFLSA-N 1 0 306.434 4.374 20 30 DIEDRO N#CCCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000273089732 334043038 /nfs/dbraw/zinc/04/30/38/334043038.db2.gz SKMGIKJTRKBGCS-UHFFFAOYSA-N 1 0 310.241 4.118 20 30 DIEDRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCC#N ZINC000273178018 334043890 /nfs/dbraw/zinc/04/38/90/334043890.db2.gz DJZQRFXMQFSBOC-LLVKDONJSA-N 1 0 303.406 4.212 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273434370 334046646 /nfs/dbraw/zinc/04/66/46/334046646.db2.gz MAIYRNSYTWYZHZ-MSOLQXFVSA-N 1 0 318.436 4.308 20 30 DIEDRO Cc1csc([C@@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)n1 ZINC000273533800 334048266 /nfs/dbraw/zinc/04/82/66/334048266.db2.gz VOGZTDIRYCZALS-LBPRGKRZSA-N 1 0 316.474 4.105 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000274625322 334064021 /nfs/dbraw/zinc/06/40/21/334064021.db2.gz NLDGGKWOBLXRHP-BJJXKVORSA-N 1 0 311.454 4.461 20 30 DIEDRO CCOc1ccc([C@H]([NH2+]CC2(C#N)CC2)C(C)C)cc1OCC ZINC000343598317 335175839 /nfs/dbraw/zinc/17/58/39/335175839.db2.gz IPGPNCPFJNRAJG-GOSISDBHSA-N 1 0 316.445 4.074 20 30 DIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)CCC#N)CC3)c2c1 ZINC000276280807 334075552 /nfs/dbraw/zinc/07/55/52/334075552.db2.gz FVQGJQOSRRGVEH-CQSZACIVSA-N 1 0 311.429 4.048 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCSc3c(F)cccc32)c1 ZINC000343554762 335171880 /nfs/dbraw/zinc/17/18/80/335171880.db2.gz RJXMYMMQYFSXGD-QGZVFWFLSA-N 1 0 312.413 4.067 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCSc3c(F)cccc32)c1 ZINC000343554760 335171996 /nfs/dbraw/zinc/17/19/96/335171996.db2.gz RJXMYMMQYFSXGD-KRWDZBQOSA-N 1 0 312.413 4.067 20 30 DIEDRO COc1ccc([C@@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)cc1 ZINC000277574948 334089140 /nfs/dbraw/zinc/08/91/40/334089140.db2.gz BQYCBNZWWLHDAA-QGZVFWFLSA-N 1 0 300.446 4.205 20 30 DIEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000277628663 334089508 /nfs/dbraw/zinc/08/95/08/334089508.db2.gz GRFHWUOPNQVYDN-WMZOPIPTSA-N 1 0 300.446 4.168 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000277783034 334090882 /nfs/dbraw/zinc/09/08/82/334090882.db2.gz RYHOZCSHVKKIGS-UHFFFAOYSA-N 1 0 322.456 4.372 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000277881957 334091677 /nfs/dbraw/zinc/09/16/77/334091677.db2.gz ZFZIEGAQHZYYAG-CVEARBPZSA-N 1 0 320.502 4.356 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1ccc(Br)o1 ZINC000278134440 334093030 /nfs/dbraw/zinc/09/30/30/334093030.db2.gz MXDZVJTXRASUAK-UHFFFAOYSA-N 1 0 313.239 4.194 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000278555186 334098004 /nfs/dbraw/zinc/09/80/04/334098004.db2.gz HVLWNQTVTADDNX-UKRRQHHQSA-N 1 0 311.454 4.168 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000278555181 334098022 /nfs/dbraw/zinc/09/80/22/334098022.db2.gz HVLWNQTVTADDNX-HIFRSBDPSA-N 1 0 311.454 4.168 20 30 DIEDRO CC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000278833355 334101962 /nfs/dbraw/zinc/10/19/62/334101962.db2.gz QJKWZEVYKXEXHP-MRXNPFEDSA-N 1 0 303.406 4.356 20 30 DIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(C)(C)CCC#N ZINC000278848387 334102270 /nfs/dbraw/zinc/10/22/70/334102270.db2.gz DCGCIANLFUDLCM-INIZCTEOSA-N 1 0 308.853 4.289 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000280886439 334120707 /nfs/dbraw/zinc/12/07/07/334120707.db2.gz DBOXCNKASIDKIU-FAEJEUNOSA-N 1 0 318.411 4.416 20 30 DIEDRO C[C@H](Nc1ccc(CC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280893655 334120731 /nfs/dbraw/zinc/12/07/31/334120731.db2.gz DIMQOXOLRMRWFV-PXNSSMCTSA-N 1 0 319.452 4.075 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000280946155 334121518 /nfs/dbraw/zinc/12/15/18/334121518.db2.gz JGPLMFGIJFRBHY-JLTOFOAXSA-N 1 0 324.399 4.456 20 30 DIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)CCc1cccs1 ZINC000281397313 334126063 /nfs/dbraw/zinc/12/60/63/334126063.db2.gz QGTRIQNXXJZQIE-UHFFFAOYSA-N 1 0 320.502 4.103 20 30 DIEDRO Cc1ccc(OC(F)F)c(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000281761663 334128266 /nfs/dbraw/zinc/12/82/66/334128266.db2.gz RTKKKRLRELIJRO-UHFFFAOYSA-N 1 0 308.372 4.016 20 30 DIEDRO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281916898 334129486 /nfs/dbraw/zinc/12/94/86/334129486.db2.gz GYFUPTRNJABPBH-CQSZACIVSA-N 1 0 322.399 4.058 20 30 DIEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)Cc1cccs1 ZINC000281919171 334129553 /nfs/dbraw/zinc/12/95/53/334129553.db2.gz HCHXTTSJBRKJQC-UHFFFAOYSA-N 1 0 306.475 4.059 20 30 DIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281929759 334129773 /nfs/dbraw/zinc/12/97/73/334129773.db2.gz HWQRYWXLEPOROA-IBGZPJMESA-N 1 0 314.473 4.416 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(OCc2ccccn2)c1 ZINC000281957304 334129974 /nfs/dbraw/zinc/12/99/74/334129974.db2.gz MOWIDRVHLBPQID-LZLYRXPVSA-N 1 0 321.424 4.003 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1Cl ZINC000281996955 334130379 /nfs/dbraw/zinc/13/03/79/334130379.db2.gz NFVSGUCPGKCHPD-CQSZACIVSA-N 1 0 306.837 4.091 20 30 DIEDRO CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(Cl)c1 ZINC000282057412 334130930 /nfs/dbraw/zinc/13/09/30/334130930.db2.gz RXHBHAMUAMVYAA-QGZVFWFLSA-N 1 0 320.864 4.481 20 30 DIEDRO CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000282086470 334131101 /nfs/dbraw/zinc/13/11/01/334131101.db2.gz UXJKKADZGAHBBA-QGZVFWFLSA-N 1 0 320.864 4.481 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000282097121 334131305 /nfs/dbraw/zinc/13/13/05/334131305.db2.gz VUOVLFKRISJIOY-AWEZNQCLSA-N 1 0 306.837 4.091 20 30 DIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282307808 334133453 /nfs/dbraw/zinc/13/34/53/334133453.db2.gz MVNJYBJFNCIABK-NJINODPHSA-N 1 0 300.446 4.107 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000282318848 334133638 /nfs/dbraw/zinc/13/36/38/334133638.db2.gz KYCYCCTXUDLTHF-UHFFFAOYSA-N 1 0 314.326 4.264 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000282504295 334135243 /nfs/dbraw/zinc/13/52/43/334135243.db2.gz YKJDRRYAURZSLN-VQIMIIECSA-N 1 0 315.420 4.270 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000282504273 334135264 /nfs/dbraw/zinc/13/52/64/334135264.db2.gz YKJDRRYAURZSLN-LPHOPBHVSA-N 1 0 315.420 4.270 20 30 DIEDRO CC(C)CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccoc1 ZINC000286267442 334152427 /nfs/dbraw/zinc/15/24/27/334152427.db2.gz VFSOATUSLOVGCG-IBGZPJMESA-N 1 0 312.413 4.449 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CCCCC(C)(C)C#N)c(C)c1OC ZINC000286691651 334153982 /nfs/dbraw/zinc/15/39/82/334153982.db2.gz DBYJBEPCXWALOC-HNNXBMFYSA-N 1 0 318.461 4.383 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000289827244 334168193 /nfs/dbraw/zinc/16/81/93/334168193.db2.gz PCQFVKBRMUCLIA-HNNXBMFYSA-N 1 0 308.491 4.117 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290462416 334172805 /nfs/dbraw/zinc/17/28/05/334172805.db2.gz WOXNQESZJMTREC-RZXSNQJFSA-N 1 0 320.436 4.133 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000291687976 334180900 /nfs/dbraw/zinc/18/09/00/334180900.db2.gz XVLJCJDLUVNLTB-QWHCGFSZSA-N 1 0 315.417 4.121 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)c1 ZINC000414920435 334180962 /nfs/dbraw/zinc/18/09/62/334180962.db2.gz XRMSWTJWMUXOGY-HXUWFJFHSA-N 1 0 308.425 4.001 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)C1 ZINC000293522808 334198783 /nfs/dbraw/zinc/19/87/83/334198783.db2.gz IUIJMYPDEUZQFE-BBRMVZONSA-N 1 0 311.404 4.179 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562532 334199165 /nfs/dbraw/zinc/19/91/65/334199165.db2.gz MGGZYVUIHDSKOP-INWMFGNUSA-N 1 0 306.862 4.199 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000293676714 334200542 /nfs/dbraw/zinc/20/05/42/334200542.db2.gz NAIUDUCUDMMAHW-CABCVRRESA-N 1 0 322.399 4.455 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC000293758811 334202009 /nfs/dbraw/zinc/20/20/09/334202009.db2.gz JSQIHPMYIORQBW-OAGGEKHMSA-N 1 0 318.848 4.123 20 30 DIEDRO CC[C@H](CC#N)[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000293767034 334202223 /nfs/dbraw/zinc/20/22/23/334202223.db2.gz ZNVPUNGYOFKVHO-XEVCZEQESA-N 1 0 314.473 4.222 20 30 DIEDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340445951 334203501 /nfs/dbraw/zinc/20/35/01/334203501.db2.gz MJAGGWFFOIFWAW-NHCUHLMSSA-N 1 0 322.452 4.269 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1Cl ZINC000294989553 334215338 /nfs/dbraw/zinc/21/53/38/334215338.db2.gz HIGHMQLGIOLNBY-ZFWWWQNUSA-N 1 0 304.821 4.077 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CC3 ZINC000295000032 334215374 /nfs/dbraw/zinc/21/53/74/334215374.db2.gz IHNMDLJDHIDPNC-HRCADAONSA-N 1 0 307.441 4.006 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(C2CC2)c1 ZINC000295560292 334225163 /nfs/dbraw/zinc/22/51/63/334225163.db2.gz XVZGMTSGFPCFSB-INIZCTEOSA-N 1 0 312.457 4.315 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(-c2ccncc2)c1 ZINC000296530794 334234805 /nfs/dbraw/zinc/23/48/05/334234805.db2.gz QJLJYFOGFWNVLD-FTRWYGJKSA-N 1 0 305.425 4.482 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000296655833 334235681 /nfs/dbraw/zinc/23/56/81/334235681.db2.gz ZGUXRJCQDIEYBQ-NHCYSSNCSA-N 1 0 312.244 4.309 20 30 DIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000298360804 334247999 /nfs/dbraw/zinc/24/79/99/334247999.db2.gz FZCHTENOUHBGIF-SJORKVTESA-N 1 0 324.472 4.489 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000299721967 334257568 /nfs/dbraw/zinc/25/75/68/334257568.db2.gz SNFBWQHBIOCWCW-HZPDHXFCSA-N 1 0 309.413 4.003 20 30 DIEDRO Cc1cc([C@@H]2CN([C@@H](C)c3cccc(C#N)c3)CCO2)ccc1F ZINC000187700323 334269176 /nfs/dbraw/zinc/26/91/76/334269176.db2.gz NJZHGOPWVFZNKL-YWZLYKJASA-N 1 0 324.399 4.140 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1OCCCC#N ZINC000120004797 334298470 /nfs/dbraw/zinc/29/84/70/334298470.db2.gz RWKULMGTQQLDIK-NVXWUHKLSA-N 1 0 316.445 4.046 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccoc3)c2)c1 ZINC000048815724 334299123 /nfs/dbraw/zinc/29/91/23/334299123.db2.gz NXXVGTVJXMXYGB-UHFFFAOYSA-N 1 0 318.376 4.020 20 30 DIEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000111257155 334314378 /nfs/dbraw/zinc/31/43/78/334314378.db2.gz YGCFQIOBIBPYLX-HNNXBMFYSA-N 1 0 300.446 4.035 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2C#N)C12CCCCC2 ZINC000303840188 334336348 /nfs/dbraw/zinc/33/63/48/334336348.db2.gz BMDOMZAZHWGDJZ-RBUKOAKNSA-N 1 0 312.457 4.118 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2C#N)C12CCCCC2 ZINC000303840182 334336358 /nfs/dbraw/zinc/33/63/58/334336358.db2.gz BMDOMZAZHWGDJZ-MOPGFXCFSA-N 1 0 312.457 4.118 20 30 DIEDRO C=CCN(C)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000121280737 334343742 /nfs/dbraw/zinc/34/37/42/334343742.db2.gz YVDIFFPMPUMMJA-SECBINFHSA-N 1 0 312.200 4.222 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cnc(C4CCC4)s3)CC2)c1 ZINC000341235211 334421048 /nfs/dbraw/zinc/42/10/48/334421048.db2.gz DNMJZQLGDODMLV-UHFFFAOYSA-N 1 0 309.438 4.061 20 30 DIEDRO COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341757805 334477663 /nfs/dbraw/zinc/47/76/63/334477663.db2.gz LNSKLXRFIIDDAI-FOIQADDNSA-N 1 0 320.436 4.165 20 30 DIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000341760438 334478100 /nfs/dbraw/zinc/47/81/00/334478100.db2.gz MHLXCNSFFQULFT-UPRAQXHNSA-N 1 0 306.409 4.442 20 30 DIEDRO N#CCC[C@H]([NH2+]CCCCOc1ccccc1)c1ccccc1 ZINC000342189511 334515977 /nfs/dbraw/zinc/51/59/77/334515977.db2.gz FSOOXIHZECQBNH-FQEVSTJZSA-N 1 0 308.425 4.480 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415588637 334615974 /nfs/dbraw/zinc/61/59/74/334615974.db2.gz XVVIHIBUUWZBNE-INIZCTEOSA-N 1 0 317.477 4.033 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417321295 334708409 /nfs/dbraw/zinc/70/84/09/334708409.db2.gz SGFLGFXWEHEWJB-XOKHGSTOSA-N 1 0 308.450 4.391 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000417370255 334764591 /nfs/dbraw/zinc/76/45/91/334764591.db2.gz SFUAXHWASYEZRE-RBZFPXEDSA-N 1 0 319.383 4.297 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CCSCC1 ZINC000417372006 334765079 /nfs/dbraw/zinc/76/50/79/334765079.db2.gz VJIPSJILMKPMBW-FZKQIMNGSA-N 1 0 300.471 4.057 20 30 DIEDRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425357668 334837880 /nfs/dbraw/zinc/83/78/80/334837880.db2.gz RZHXQJBKKLOURV-GRYCIOLGSA-N 1 0 313.228 4.043 20 30 DIEDRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425357669 334838062 /nfs/dbraw/zinc/83/80/62/334838062.db2.gz RZHXQJBKKLOURV-SDDRHHMPSA-N 1 0 313.228 4.043 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000343631316 335183072 /nfs/dbraw/zinc/18/30/72/335183072.db2.gz YXOHIHKEPKVPPG-OAQYLSRUSA-N 1 0 315.420 4.030 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000344002712 335207197 /nfs/dbraw/zinc/20/71/97/335207197.db2.gz BGVMSBLMMZFZLF-SCLBCKFNSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(C#N)cc1 ZINC000344179876 335227764 /nfs/dbraw/zinc/22/77/64/335227764.db2.gz XGVRLXGEGAADKO-CYBMUJFWSA-N 1 0 307.372 4.072 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C12CCCC2 ZINC000344339302 335242297 /nfs/dbraw/zinc/24/22/97/335242297.db2.gz WSBNQTVTIBHPAK-GBESFXJTSA-N 1 0 312.457 4.359 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C12CCCC2 ZINC000344339301 335242354 /nfs/dbraw/zinc/24/23/54/335242354.db2.gz WSBNQTVTIBHPAK-CEXWTWQISA-N 1 0 312.457 4.359 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000344442470 335254379 /nfs/dbraw/zinc/25/43/79/335254379.db2.gz ZMVJVJCSQBJPLG-SFHVURJKSA-N 1 0 324.449 4.306 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](C)c2cc(C)oc2C)cc(OC)c1O ZINC000113330309 335324814 /nfs/dbraw/zinc/32/48/14/335324814.db2.gz CNBOJPPGECLEJL-CYBMUJFWSA-N 1 0 315.413 4.190 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)s1 ZINC000345692427 335342509 /nfs/dbraw/zinc/34/25/09/335342509.db2.gz LSBUUEBHSQNCDE-OAHLLOKOSA-N 1 0 318.829 4.277 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000444670464 338480809 /nfs/dbraw/zinc/48/08/09/338480809.db2.gz IPQWZYRZYGAHCG-RVKKMQEKSA-N 1 0 300.446 4.249 20 30 DIEDRO CC1(C)CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000346220907 335385498 /nfs/dbraw/zinc/38/54/98/335385498.db2.gz KRQBZZGREGZZLI-SFHVURJKSA-N 1 0 322.456 4.132 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1c(C)nn(C)c1C ZINC000347998333 335544947 /nfs/dbraw/zinc/54/49/47/335544947.db2.gz GDSNBUYFVIFFRC-SFHVURJKSA-N 1 0 324.472 4.079 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCCSC1 ZINC000348206109 335565894 /nfs/dbraw/zinc/56/58/94/335565894.db2.gz KVPPZOIUBCEAAU-CRAIPNDOSA-N 1 0 300.471 4.059 20 30 DIEDRO Cc1cc2c(cc1C)[C@H]([NH2+]CC(C)(C)CCC#N)CCCO2 ZINC000348208733 335566318 /nfs/dbraw/zinc/56/63/18/335566318.db2.gz AAJGPFZKKFGHIA-QGZVFWFLSA-N 1 0 300.446 4.437 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000348229777 335571709 /nfs/dbraw/zinc/57/17/09/335571709.db2.gz PSASPMGPBMGIIE-UHFFFAOYSA-N 1 0 309.457 4.310 20 30 DIEDRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC1(CC#N)CC1 ZINC000430755160 335721969 /nfs/dbraw/zinc/72/19/69/335721969.db2.gz PMPDOYQYTNQYFY-HNNXBMFYSA-N 1 0 304.821 4.146 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](CCC#N)c1ccccc1)CC1CCOCC1 ZINC000350112866 335726194 /nfs/dbraw/zinc/72/61/94/335726194.db2.gz WMUADNOTJXUGGM-APWZRJJASA-N 1 0 300.446 4.074 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(C3CCCCC3)s2)s1 ZINC000583558327 335726909 /nfs/dbraw/zinc/72/69/09/335726909.db2.gz YJKJPRAFVZUCST-UHFFFAOYSA-N 1 0 317.483 4.414 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000052660329 335801524 /nfs/dbraw/zinc/80/15/24/335801524.db2.gz SDXVKRCFNLRQPS-LBPRGKRZSA-N 1 0 304.315 4.428 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000330352794 336176039 /nfs/dbraw/zinc/17/60/39/336176039.db2.gz NTLWUXVERJJSPX-AWEZNQCLSA-N 1 0 318.417 4.046 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000532514503 336253075 /nfs/dbraw/zinc/25/30/75/336253075.db2.gz AFEPDZIVHYTARP-RTWAWAEBSA-N 1 0 312.501 4.343 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000532514883 336253085 /nfs/dbraw/zinc/25/30/85/336253085.db2.gz SAODEZYUGAVCDL-MRXNPFEDSA-N 1 0 304.453 4.134 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000532514502 336253110 /nfs/dbraw/zinc/25/31/10/336253110.db2.gz AFEPDZIVHYTARP-NHCUHLMSSA-N 1 0 312.501 4.343 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c(F)c1 ZINC000532565898 336255825 /nfs/dbraw/zinc/25/58/25/336255825.db2.gz BMJMVBJAHVHKOX-FXAWDEMLSA-N 1 0 308.400 4.198 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000532565960 336255826 /nfs/dbraw/zinc/25/58/26/336255826.db2.gz BMJMVBJAHVHKOX-XLIONFOSSA-N 1 0 308.400 4.198 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000532571166 336255929 /nfs/dbraw/zinc/25/59/29/336255929.db2.gz DUOQWEIPILAGBW-INIZCTEOSA-N 1 0 318.461 4.009 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000532571168 336256032 /nfs/dbraw/zinc/25/60/32/336256032.db2.gz DUOQWEIPILAGBW-MRXNPFEDSA-N 1 0 318.461 4.009 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1cccc(C#N)c1 ZINC000192931934 336284977 /nfs/dbraw/zinc/28/49/77/336284977.db2.gz USCGJCWPNZCUMT-DYESRHJHSA-N 1 0 319.452 4.046 20 30 DIEDRO N#Cc1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC000301145490 336292055 /nfs/dbraw/zinc/29/20/55/336292055.db2.gz LFXPMRMRECVYNO-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO N#Cc1ccc(Cl)cc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000301171297 336293150 /nfs/dbraw/zinc/29/31/50/336293150.db2.gz GLXMHBLCCMYCGF-MRXNPFEDSA-N 1 0 315.804 4.054 20 30 DIEDRO C[C@@H]1CCC[N@H+](CCCCNc2c(C#N)cnc3ccccc32)C1 ZINC000301372311 336303102 /nfs/dbraw/zinc/30/31/02/336303102.db2.gz PZYNWANLIGXMEM-MRXNPFEDSA-N 1 0 322.456 4.030 20 30 DIEDRO N#Cc1cc(F)ccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000301377509 336303415 /nfs/dbraw/zinc/30/34/15/336303415.db2.gz WVUITXWESHGSAC-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO CC(C)[NH+](CCCNc1c(C#N)cnc2ccccc21)C(C)C ZINC000301412735 336305090 /nfs/dbraw/zinc/30/50/90/336305090.db2.gz ADFRDCGHOQJOIU-UHFFFAOYSA-N 1 0 310.445 4.027 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2nc(-c3ccccc3)cs2)CC1 ZINC000301595814 336317237 /nfs/dbraw/zinc/31/72/37/336317237.db2.gz FWCWVIWANUMKET-UHFFFAOYSA-N 1 0 313.470 4.263 20 30 DIEDRO Cc1[nH+]c2ccccc2c(NCc2cc(C#N)ccc2F)c1C ZINC000302060667 336346244 /nfs/dbraw/zinc/34/62/44/336346244.db2.gz CELKGLVHIAEIEU-UHFFFAOYSA-N 1 0 305.356 4.475 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000514142313 336375131 /nfs/dbraw/zinc/37/51/31/336375131.db2.gz QKIHZJCPPZMJPX-ACJLOTCBSA-N 1 0 314.816 4.250 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cnc(C3CCC3)s2)cc1 ZINC000352912506 336376688 /nfs/dbraw/zinc/37/66/88/336376688.db2.gz DXVYJUAZOLTLQT-UHFFFAOYSA-N 1 0 314.454 4.265 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cnc(C)n1-c1ccccc1 ZINC000352985812 336381186 /nfs/dbraw/zinc/38/11/86/336381186.db2.gz LJPWVCWAIPBSPJ-UHFFFAOYSA-N 1 0 321.424 4.004 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000353033705 336383985 /nfs/dbraw/zinc/38/39/85/336383985.db2.gz ZXJWKXIGOJRSKN-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)ccc1C#N ZINC000514636941 336387155 /nfs/dbraw/zinc/38/71/55/336387155.db2.gz FIGYEYBBOWPWQD-OALUTQOASA-N 1 0 324.399 4.132 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2csc3ccccc23)CC1 ZINC000106245618 336389152 /nfs/dbraw/zinc/38/91/52/336389152.db2.gz FTEXYKBVOLMUSX-UHFFFAOYSA-N 1 0 300.471 4.031 20 30 DIEDRO C[C@@H](C[NH+]1CCC(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000582253125 336395364 /nfs/dbraw/zinc/39/53/64/336395364.db2.gz GVDOWYKYDNRQOK-ZDUSSCGKSA-N 1 0 310.363 4.435 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ncccc2C)C(C)C)cc1 ZINC000115622708 336402054 /nfs/dbraw/zinc/40/20/54/336402054.db2.gz DNFSCXGLMAWHKP-FQEVSTJZSA-N 1 0 322.452 4.279 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccco1 ZINC000353405505 336415790 /nfs/dbraw/zinc/41/57/90/336415790.db2.gz OGWVITFVNWZPCO-LJQANCHMSA-N 1 0 321.424 4.322 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1F ZINC000353421028 336416935 /nfs/dbraw/zinc/41/69/35/336416935.db2.gz XJDXFBVWTZDWEC-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOc3c(F)cccc31)CC2 ZINC000353662523 336432741 /nfs/dbraw/zinc/43/27/41/336432741.db2.gz SHCUGOFNEFEYOR-RTBURBONSA-N 1 0 322.383 4.188 20 30 DIEDRO COc1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)ccc1C#N ZINC000353912792 336447668 /nfs/dbraw/zinc/44/76/68/336447668.db2.gz GNFJKBSGTFKRSL-IBGZPJMESA-N 1 0 319.408 4.092 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccnc1 ZINC000358560740 336634646 /nfs/dbraw/zinc/63/46/46/336634646.db2.gz FUXFSZFYVYOMFF-KBXCAEBGSA-N 1 0 311.404 4.183 20 30 DIEDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360646018 336717089 /nfs/dbraw/zinc/71/70/89/336717089.db2.gz GELVCQQPNPUJKB-ZUOKHONESA-N 1 0 323.440 4.151 20 30 DIEDRO COC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655683 336717584 /nfs/dbraw/zinc/71/75/84/336717584.db2.gz DRQISZQAFNORKX-SFTDATJTSA-N 1 0 320.436 4.303 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000360656153 336717620 /nfs/dbraw/zinc/71/76/20/336717620.db2.gz GFJUYXNCFRUOSH-PKOBYXMFSA-N 1 0 310.441 4.017 20 30 DIEDRO C[C@]1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCCS1 ZINC000360662034 336718020 /nfs/dbraw/zinc/71/80/20/336718020.db2.gz DEKHLKVUKBVQNH-QZTJIDSGSA-N 1 0 300.471 4.201 20 30 DIEDRO COc1cnccc1[C@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360872742 336725108 /nfs/dbraw/zinc/72/51/08/336725108.db2.gz OBAQUJSMYXZDTI-IFXJQAMLSA-N 1 0 321.424 4.080 20 30 DIEDRO CSC1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCC1 ZINC000360882741 336725592 /nfs/dbraw/zinc/72/55/92/336725592.db2.gz GKEPLAFKPZLCJV-QGZVFWFLSA-N 1 0 300.471 4.201 20 30 DIEDRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCCCC#N ZINC000361123446 336739741 /nfs/dbraw/zinc/73/97/41/336739741.db2.gz AEPKNHVHDOKBSE-AWEZNQCLSA-N 1 0 313.470 4.387 20 30 DIEDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000117393279 336854603 /nfs/dbraw/zinc/85/46/03/336854603.db2.gz IQDGQBVXZIRUPK-SJLPKXTDSA-N 1 0 318.486 4.133 20 30 DIEDRO CS[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000117393276 336854682 /nfs/dbraw/zinc/85/46/82/336854682.db2.gz IQDGQBVXZIRUPK-WMZOPIPTSA-N 1 0 318.486 4.133 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000368960857 336855691 /nfs/dbraw/zinc/85/56/91/336855691.db2.gz RDNKELWRWYOSCE-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000370077990 336877142 /nfs/dbraw/zinc/87/71/42/336877142.db2.gz POEYVSBREPBIFF-AWEZNQCLSA-N 1 0 324.449 4.276 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1ccc(C#N)cc1 ZINC000370737216 336892386 /nfs/dbraw/zinc/89/23/86/336892386.db2.gz DYZAGZALSLLJPD-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1ccc(C#N)cc1 ZINC000370737215 336892435 /nfs/dbraw/zinc/89/24/35/336892435.db2.gz DYZAGZALSLLJPD-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccsc1Cl ZINC000418146132 336896915 /nfs/dbraw/zinc/89/69/15/336896915.db2.gz OXILDXLPQZEMBJ-HNNXBMFYSA-N 1 0 302.830 4.440 20 30 DIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000389949980 336927406 /nfs/dbraw/zinc/92/74/06/336927406.db2.gz WLNXIZCRPFGIKD-IAGOWNOFSA-N 1 0 308.425 4.204 20 30 DIEDRO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](C#N)CCC#N ZINC000583688820 336951431 /nfs/dbraw/zinc/95/14/31/336951431.db2.gz FQHVMZAUKDUGPG-WFASDCNBSA-N 1 0 324.255 4.348 20 30 DIEDRO CC(C)(C#N)CCC[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000374995947 337001188 /nfs/dbraw/zinc/00/11/88/337001188.db2.gz FXZROFDOMZXFPT-UHFFFAOYSA-N 1 0 303.837 4.154 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccco1 ZINC000375842899 337021156 /nfs/dbraw/zinc/02/11/56/337021156.db2.gz XANBAVRCJWVMNW-QZTJIDSGSA-N 1 0 324.424 4.374 20 30 DIEDRO C#CCCCCC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000378397917 337071800 /nfs/dbraw/zinc/07/18/00/337071800.db2.gz DXOXDIFFMPMPMA-UHFFFAOYSA-N 1 0 321.424 4.019 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000194091258 337081596 /nfs/dbraw/zinc/08/15/96/337081596.db2.gz ZHLOUMDXANYFJR-VIFPVBQESA-N 1 0 306.294 4.080 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000582621333 337115802 /nfs/dbraw/zinc/11/58/02/337115802.db2.gz MCIGYQQVVRTXCZ-NVXWUHKLSA-N 1 0 323.502 4.266 20 30 DIEDRO CC[C@H](c1ccc(F)cc1F)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000532899735 337149959 /nfs/dbraw/zinc/14/99/59/337149959.db2.gz AXSMWAIEKFBCKD-GOSISDBHSA-N 1 0 300.352 4.420 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000177391319 337155775 /nfs/dbraw/zinc/15/57/75/337155775.db2.gz LCLPZTZFLBWZDC-JKSUJKDBSA-N 1 0 316.408 4.156 20 30 DIEDRO Cc1nc(CNCc2ccc(-c3ccccc3C#N)cc2)cs1 ZINC000180334745 337175920 /nfs/dbraw/zinc/17/59/20/337175920.db2.gz MGXOENQFSBRDGG-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)[C@H]1COc2ccccc21 ZINC000185644489 337249795 /nfs/dbraw/zinc/24/97/95/337249795.db2.gz TUKLZRLMSPQDGG-MAUKXSAKSA-N 1 0 320.436 4.142 20 30 DIEDRO N#Cc1ccc(F)c(C[NH+]2CCC(c3ccsc3)CC2)c1 ZINC000186953969 337261875 /nfs/dbraw/zinc/26/18/75/337261875.db2.gz HHFYYHHHZOMPNB-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(F)ccc1F ZINC000192158775 337303393 /nfs/dbraw/zinc/30/33/93/337303393.db2.gz QDOMTRLBOKPLTN-QGZVFWFLSA-N 1 0 304.315 4.216 20 30 DIEDRO N#CCC[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000193305322 337309625 /nfs/dbraw/zinc/30/96/25/337309625.db2.gz HPUOUUMYTMRKJF-HXUWFJFHSA-N 1 0 320.436 4.189 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C1CC1)C1CC1 ZINC000583725169 337318442 /nfs/dbraw/zinc/31/84/42/337318442.db2.gz WYSGDCONFAETQQ-UHFFFAOYSA-N 1 0 308.347 4.197 20 30 DIEDRO N#CCCOCC[NH2+][C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000584518081 337354277 /nfs/dbraw/zinc/35/42/77/337354277.db2.gz LOIALKIOWOBBBF-SFHVURJKSA-N 1 0 320.864 4.481 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1Br ZINC000035018787 337392529 /nfs/dbraw/zinc/39/25/29/337392529.db2.gz UNVNXHNCYUTWQJ-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(C)(C)CCC#N)c1 ZINC000120642002 337395926 /nfs/dbraw/zinc/39/59/26/337395926.db2.gz NVDQBMINOGMSQC-QGZVFWFLSA-N 1 0 316.445 4.171 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2c3ccc(F)cc3O[C@@H]2C)cc1 ZINC000564116020 337456637 /nfs/dbraw/zinc/45/66/37/337456637.db2.gz VZJVKWBMZOBNSO-YJYMSZOUSA-N 1 0 313.372 4.002 20 30 DIEDRO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000245907299 337497079 /nfs/dbraw/zinc/49/70/79/337497079.db2.gz OUOUPSYHTCCGDA-YRISNDGFSA-N 1 0 320.436 4.377 20 30 DIEDRO CC(C)CCOc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000421350186 337527907 /nfs/dbraw/zinc/52/79/07/337527907.db2.gz KQIIXDORMNNFSP-UHFFFAOYSA-N 1 0 314.454 4.334 20 30 DIEDRO C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(C#N)s1 ZINC000421354636 337528147 /nfs/dbraw/zinc/52/81/47/337528147.db2.gz XCZHSWDQQGMQNJ-LLVKDONJSA-N 1 0 306.381 4.009 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000564131441 337556679 /nfs/dbraw/zinc/55/66/79/337556679.db2.gz BHHBMAISVBAQTD-UHFFFAOYSA-N 1 0 322.252 4.008 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1CC ZINC000571706941 337572296 /nfs/dbraw/zinc/57/22/96/337572296.db2.gz NPTMSSLLELKJGK-OAHLLOKOSA-N 1 0 302.462 4.158 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000572104601 337590870 /nfs/dbraw/zinc/59/08/70/337590870.db2.gz MROJXVANAVEAIB-KMFMINBZSA-N 1 0 301.821 4.009 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000320264764 337594176 /nfs/dbraw/zinc/59/41/76/337594176.db2.gz KNANYTQXIXXDPA-DTWKUNHWSA-N 1 0 308.636 4.234 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)N(CC)CC)cc1)C1CC1 ZINC000269722921 337637631 /nfs/dbraw/zinc/63/76/31/337637631.db2.gz QLBZRBMCCVOWIZ-LJQANCHMSA-N 1 0 314.473 4.003 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](CCOC)c2ccc(C)o2)c1 ZINC000272335866 337648042 /nfs/dbraw/zinc/64/80/42/337648042.db2.gz SIIFJPXZPRKPGT-GOSISDBHSA-N 1 0 315.413 4.020 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC2CCC(C#N)CC2)C(C)C)c(F)c1 ZINC000421852700 337649999 /nfs/dbraw/zinc/64/99/99/337649999.db2.gz IMIBLZQFVMOJIO-ZOJXTTQQSA-N 1 0 318.436 4.451 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC(C)(C)CCC#N)C(C)C)c(F)c1 ZINC000421854557 337650181 /nfs/dbraw/zinc/65/01/81/337650181.db2.gz LSCPLOSOPBNBOB-KRWDZBQOSA-N 1 0 306.425 4.451 20 30 DIEDRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000421850213 337655011 /nfs/dbraw/zinc/65/50/11/337655011.db2.gz DCRLXCRVUGGJEU-IYXRBSQSSA-N 1 0 306.837 4.329 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccccc1 ZINC000274521469 337660137 /nfs/dbraw/zinc/66/01/37/337660137.db2.gz YKEUOSABHCEJIJ-HNNXBMFYSA-N 1 0 305.372 4.155 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(C#N)cc1 ZINC000423412176 337716299 /nfs/dbraw/zinc/71/62/99/337716299.db2.gz GZYGJAQATYYWPD-IBGZPJMESA-N 1 0 305.425 4.157 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000424189373 337803156 /nfs/dbraw/zinc/80/31/56/337803156.db2.gz DJHCROHMSGSYEV-NWDGAFQWSA-N 1 0 302.324 4.007 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000424290307 337815722 /nfs/dbraw/zinc/81/57/22/337815722.db2.gz BKDFQCALSMPAHO-LAQRGFTBSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000424290906 337816170 /nfs/dbraw/zinc/81/61/70/337816170.db2.gz CKSUPUTUEUWMHB-FTGAXOIBSA-N 1 0 318.219 4.374 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000424291167 337816269 /nfs/dbraw/zinc/81/62/69/337816269.db2.gz DDRGXRWFBJKITE-KBMXLJTQSA-N 1 0 315.413 4.073 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(F)c(Cl)cc1Cl ZINC000424320061 337820311 /nfs/dbraw/zinc/82/03/11/337820311.db2.gz FMUDGGYETYOZBC-LPEHRKFASA-N 1 0 301.192 4.475 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000424327602 337821395 /nfs/dbraw/zinc/82/13/95/337821395.db2.gz MZYCSOQYSUEEKR-SGIREYDYSA-N 1 0 319.246 4.108 20 30 DIEDRO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H](C#N)C2)cc1F ZINC000424328488 337821566 /nfs/dbraw/zinc/82/15/66/337821566.db2.gz ODOJLCIYOCFJAN-DNMXQMFDSA-N 1 0 316.420 4.142 20 30 DIEDRO COc1cccc(C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc2)c1 ZINC000424331748 337822263 /nfs/dbraw/zinc/82/22/63/337822263.db2.gz SIWAQJFQSJIRIX-FBBABVLZSA-N 1 0 320.436 4.261 20 30 DIEDRO C=CCN(CC1CCCCC1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424431311 337833022 /nfs/dbraw/zinc/83/30/22/337833022.db2.gz FLRIQWZITKAAKK-UHFFFAOYSA-N 1 0 315.461 4.054 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119702732 337864437 /nfs/dbraw/zinc/86/44/37/337864437.db2.gz GDBFXRZMOPFFHN-CQSZACIVSA-N 1 0 312.369 4.010 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000121438379 337892934 /nfs/dbraw/zinc/89/29/34/337892934.db2.gz TUXDOYGMELQBCC-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)C1CC1 ZINC000121459663 337893452 /nfs/dbraw/zinc/89/34/52/337893452.db2.gz BKLCQDIGCKWBRV-NSHDSACASA-N 1 0 304.381 4.039 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H](C)c1ccccc1C(F)(F)F ZINC000121626035 337896802 /nfs/dbraw/zinc/89/68/02/337896802.db2.gz LOUNSRDPKZHSEP-NWDGAFQWSA-N 1 0 322.330 4.452 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000092454196 337904403 /nfs/dbraw/zinc/90/44/03/337904403.db2.gz PJDOVQAYEWXYMI-UHFFFAOYSA-N 1 0 303.446 4.031 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000537293548 337928697 /nfs/dbraw/zinc/92/86/97/337928697.db2.gz WNUDPDSQCWNFQG-GJZGRUSLSA-N 1 0 324.424 4.377 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Nc1ccccc1 ZINC000537294152 337928776 /nfs/dbraw/zinc/92/87/76/337928776.db2.gz ZHFOOFDZCWFOBJ-JXFKEZNVSA-N 1 0 307.441 4.346 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000537296995 337929218 /nfs/dbraw/zinc/92/92/18/337929218.db2.gz IYASNOWFIPGGQG-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccc(C#N)c(F)c1 ZINC000537406421 337933551 /nfs/dbraw/zinc/93/35/51/337933551.db2.gz HABCJJRZEBUGIL-CQSZACIVSA-N 1 0 319.383 4.139 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000514818341 337971213 /nfs/dbraw/zinc/97/12/13/337971213.db2.gz PXRPDVMMVAXKTG-MRRJBJDNSA-N 1 0 309.450 4.179 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC000516181650 338006041 /nfs/dbraw/zinc/00/60/41/338006041.db2.gz OVCBPCUXCXGBND-TXQGORRRSA-N 1 0 300.421 4.261 20 30 DIEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516185953 338006155 /nfs/dbraw/zinc/00/61/55/338006155.db2.gz RWDKKQNSPKVDMO-SFHVURJKSA-N 1 0 321.380 4.112 20 30 DIEDRO COc1cc(CN2CC(C)(C)[C@@H]2c2cccs2)ccc1C#N ZINC000516215064 338007553 /nfs/dbraw/zinc/00/75/53/338007553.db2.gz DNADCCGABQBIAJ-KRWDZBQOSA-N 1 0 312.438 4.211 20 30 DIEDRO COc1cc(CN2CC(C)(C)[C@H]2c2cccs2)ccc1C#N ZINC000516215065 338007657 /nfs/dbraw/zinc/00/76/57/338007657.db2.gz DNADCCGABQBIAJ-QGZVFWFLSA-N 1 0 312.438 4.211 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1nnc(C(C)C)s1)c1ccco1 ZINC000426304071 338025787 /nfs/dbraw/zinc/02/57/87/338025787.db2.gz BDMJXFTXQSJPCI-CYBMUJFWSA-N 1 0 305.447 4.094 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000426312685 338026269 /nfs/dbraw/zinc/02/62/69/338026269.db2.gz QXEYPOSIXWRWHL-IEBWSBKVSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@@H](NCc1cccc(F)c1C#N)c1cccc(N2CCCC2)c1 ZINC000428354208 338048468 /nfs/dbraw/zinc/04/84/68/338048468.db2.gz YCRLLFORXSSPKF-OAHLLOKOSA-N 1 0 323.415 4.148 20 30 DIEDRO C=CC[N@@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000428371686 338049185 /nfs/dbraw/zinc/04/91/85/338049185.db2.gz GRTOQJWWOMJQSW-UHFFFAOYSA-N 1 0 314.816 4.210 20 30 DIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)ccc1OC ZINC000428457326 338052901 /nfs/dbraw/zinc/05/29/01/338052901.db2.gz WQTGNZLIAAQUKB-SJORKVTESA-N 1 0 301.430 4.025 20 30 DIEDRO C=CCN(CCC#N)CCOC(c1ccccc1)c1ccccc1 ZINC000428852847 338062314 /nfs/dbraw/zinc/06/23/14/338062314.db2.gz VIJCNIBCGIDDKU-UHFFFAOYSA-N 1 0 320.436 4.194 20 30 DIEDRO N#Cc1ccc(C[NH+](C2CCC2)C2CCC2)c(Br)c1 ZINC000429123694 338071238 /nfs/dbraw/zinc/07/12/38/338071238.db2.gz RMCLSPFGBLZJMZ-UHFFFAOYSA-N 1 0 319.246 4.228 20 30 DIEDRO COCC(C)(C)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000429265614 338075271 /nfs/dbraw/zinc/07/52/71/338075271.db2.gz GPGUJAHDESIOOR-UHFFFAOYSA-N 1 0 308.425 4.082 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000429454995 338081584 /nfs/dbraw/zinc/08/15/84/338081584.db2.gz QTNRVERXIWXHLU-MSOLQXFVSA-N 1 0 313.445 4.386 20 30 DIEDRO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CC1(CC#N)CC1 ZINC000430030219 338093886 /nfs/dbraw/zinc/09/38/86/338093886.db2.gz ZWOIZLKHCYDGDY-HNNXBMFYSA-N 1 0 317.452 4.091 20 30 DIEDRO C=CCCC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430271366 338103897 /nfs/dbraw/zinc/10/38/97/338103897.db2.gz GGJBWUJBSADWNY-UHFFFAOYSA-N 1 0 303.837 4.042 20 30 DIEDRO N#CCC1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000430739025 338112763 /nfs/dbraw/zinc/11/27/63/338112763.db2.gz CKIDXSDUFCEWPK-GOSISDBHSA-N 1 0 310.441 4.063 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cc(Cl)ccc1OC(F)F ZINC000430736907 338112810 /nfs/dbraw/zinc/11/28/10/338112810.db2.gz VVBITYBWIQRWMT-JTQLQIEISA-N 1 0 314.763 4.286 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC2(CC#N)CC2)c2ccc(F)cc2)cc1 ZINC000430751654 338113591 /nfs/dbraw/zinc/11/35/91/338113591.db2.gz YGBKBEZZSVFJPP-IBGZPJMESA-N 1 0 324.399 4.207 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000432503036 338157861 /nfs/dbraw/zinc/15/78/61/338157861.db2.gz QTUURELFMWXSSV-IEBWSBKVSA-N 1 0 319.452 4.125 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000432840135 338170350 /nfs/dbraw/zinc/17/03/50/338170350.db2.gz KTNGBRQEJGRKBJ-JKSUJKDBSA-N 1 0 315.379 4.319 20 30 DIEDRO COc1ccc(OCC[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433013985 338176360 /nfs/dbraw/zinc/17/63/60/338176360.db2.gz BMDYCNTVVMTTCB-FQEVSTJZSA-N 1 0 324.424 4.099 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000433018338 338176468 /nfs/dbraw/zinc/17/64/68/338176468.db2.gz DMVYKNOEXCKPRA-IBGZPJMESA-N 1 0 307.372 4.222 20 30 DIEDRO C[N@H+](CCS[C@H](C#N)C1CCCCC1)Cc1ccccc1 ZINC000433018588 338176473 /nfs/dbraw/zinc/17/64/73/338176473.db2.gz FFKCEGVBJPPZAI-GOSISDBHSA-N 1 0 302.487 4.324 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433019994 338176549 /nfs/dbraw/zinc/17/65/49/338176549.db2.gz MELLZHRQPUIRAC-UXHICEINSA-N 1 0 308.425 4.399 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000433020126 338176669 /nfs/dbraw/zinc/17/66/69/338176669.db2.gz QYRVTQRQMDKIIE-KRWDZBQOSA-N 1 0 309.369 4.120 20 30 DIEDRO Cc1nc2ccccn2c1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433022967 338176812 /nfs/dbraw/zinc/17/68/12/338176812.db2.gz YQPNXHQRHLVRSW-GOSISDBHSA-N 1 0 318.424 4.168 20 30 DIEDRO CCCc1nc(C)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)o1 ZINC000433025558 338177067 /nfs/dbraw/zinc/17/70/67/338177067.db2.gz LRADAOPRRUUXJJ-KRWDZBQOSA-N 1 0 311.429 4.460 20 30 DIEDRO N#CCCC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000433028948 338177219 /nfs/dbraw/zinc/17/72/19/338177219.db2.gz QOWHWMMDXLNFJF-FQEVSTJZSA-N 1 0 306.384 4.202 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1F ZINC000433296787 338189937 /nfs/dbraw/zinc/18/99/37/338189937.db2.gz JJCXSVJMAXDWKQ-INIZCTEOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)c(F)c1 ZINC000434493330 338218259 /nfs/dbraw/zinc/21/82/59/338218259.db2.gz LQMQLIDKTHNQLA-UHFFFAOYSA-N 1 0 312.363 4.158 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCSC(C)(C)CC1 ZINC000434662985 338222704 /nfs/dbraw/zinc/22/27/04/338222704.db2.gz DMCFWOQDQGICKI-UHFFFAOYSA-N 1 0 302.487 4.205 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(NCCC)cc2)cc1 ZINC000434757359 338225053 /nfs/dbraw/zinc/22/50/53/338225053.db2.gz MWWQGUOEDDYNLT-UHFFFAOYSA-N 1 0 310.441 4.363 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1OC ZINC000434776064 338225347 /nfs/dbraw/zinc/22/53/47/338225347.db2.gz MALVYSVDOVXVPD-UHFFFAOYSA-N 1 0 301.430 4.072 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000435666491 338244564 /nfs/dbraw/zinc/24/45/64/338244564.db2.gz YUDJDSFEABGVAS-BJJXKVORSA-N 1 0 313.363 4.337 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000435725157 338246284 /nfs/dbraw/zinc/24/62/84/338246284.db2.gz FJPWZYRVICRDLP-WFASDCNBSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000435731243 338246722 /nfs/dbraw/zinc/24/67/22/338246722.db2.gz ITVXVJZYLDQFCY-ZBFHGGJFSA-N 1 0 313.363 4.085 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000435746052 338247648 /nfs/dbraw/zinc/24/76/48/338247648.db2.gz SRSKXIYJUBHQQM-DOMZBBRYSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000435745161 338247672 /nfs/dbraw/zinc/24/76/72/338247672.db2.gz KENPCPSNFQYMJD-DNVCBOLYSA-N 1 0 315.388 4.157 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000435746053 338247710 /nfs/dbraw/zinc/24/77/10/338247710.db2.gz SRSKXIYJUBHQQM-IUODEOHRSA-N 1 0 300.229 4.064 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000435746055 338247735 /nfs/dbraw/zinc/24/77/35/338247735.db2.gz SRSKXIYJUBHQQM-WFASDCNBSA-N 1 0 300.229 4.064 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c(F)c1 ZINC000436229390 338262489 /nfs/dbraw/zinc/26/24/89/338262489.db2.gz DXBJLJZHYSGDNN-VQIMIIECSA-N 1 0 308.400 4.198 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000436283564 338265802 /nfs/dbraw/zinc/26/58/02/338265802.db2.gz LSHRSOQVZLDWOU-NJAFHUGGSA-N 1 0 318.417 4.007 20 30 DIEDRO CSc1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000436286390 338266193 /nfs/dbraw/zinc/26/61/93/338266193.db2.gz HADXKNNLJIGGMF-ZDUSSCGKSA-N 1 0 314.429 4.313 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000436289787 338266443 /nfs/dbraw/zinc/26/64/43/338266443.db2.gz HHCOQNNEEDRETL-AQNXPRMDSA-N 1 0 301.474 4.133 20 30 DIEDRO C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291070 338266551 /nfs/dbraw/zinc/26/65/51/338266551.db2.gz KPHDBFQKXCKRTF-JXFKEZNVSA-N 1 0 311.473 4.006 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1OCC ZINC000436291823 338266651 /nfs/dbraw/zinc/26/66/51/338266651.db2.gz QXUBAKMVPHZDNI-LBTNJELSSA-N 1 0 323.864 4.371 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000436294323 338266870 /nfs/dbraw/zinc/26/68/70/338266870.db2.gz GDLRPTZHCMDNNF-WDSOQIARSA-N 1 0 315.457 4.088 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000436302082 338267685 /nfs/dbraw/zinc/26/76/85/338267685.db2.gz QVYMCCAKXTZREQ-RYKRPPSOSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000436304108 338267731 /nfs/dbraw/zinc/26/77/31/338267731.db2.gz FUKWHFPXWWTMHY-WDSOQIARSA-N 1 0 303.421 4.156 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000436303464 338267752 /nfs/dbraw/zinc/26/77/52/338267752.db2.gz CGHMABNAUSQWPU-AYBZRNKSSA-N 1 0 303.446 4.026 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000436303501 338267765 /nfs/dbraw/zinc/26/77/65/338267765.db2.gz CQLNAKDKDZKPEK-KKXDTOCCSA-N 1 0 309.400 4.233 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000436302914 338267776 /nfs/dbraw/zinc/26/77/76/338267776.db2.gz ASFLVVITIPNTRK-HRSCSKTISA-N 1 0 305.849 4.157 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000436303500 338267791 /nfs/dbraw/zinc/26/77/91/338267791.db2.gz CQLNAKDKDZKPEK-BVGQSLNGSA-N 1 0 309.400 4.233 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000436307440 338268199 /nfs/dbraw/zinc/26/81/99/338268199.db2.gz NOIXKHKWYPVBTI-ZCNNSNEGSA-N 1 0 301.474 4.215 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000436311435 338268347 /nfs/dbraw/zinc/26/83/47/338268347.db2.gz XOETUYUPYXREGC-CTNGQTDRSA-N 1 0 307.437 4.347 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000436311438 338268406 /nfs/dbraw/zinc/26/84/06/338268406.db2.gz XOETUYUPYXREGC-TZIWHRDSSA-N 1 0 307.437 4.347 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000436309832 338268428 /nfs/dbraw/zinc/26/84/28/338268428.db2.gz QASCHMGWWKLQFB-IEZWGBDMSA-N 1 0 317.473 4.496 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000436313413 338268601 /nfs/dbraw/zinc/26/86/01/338268601.db2.gz WTQUSNHTYOVDEI-KPFFTGBYSA-N 1 0 315.457 4.088 20 30 DIEDRO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437402589 338309126 /nfs/dbraw/zinc/30/91/26/338309126.db2.gz HIJJGLXIISKHMC-LLVKDONJSA-N 1 0 322.380 4.414 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000156047988 338329736 /nfs/dbraw/zinc/32/97/36/338329736.db2.gz VLXJCZONNIVMKE-SSDOTTSWSA-N 1 0 303.221 4.275 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2N(C)C(C)C)cc1 ZINC000438348778 338340718 /nfs/dbraw/zinc/34/07/18/338340718.db2.gz YZZWIOFGLOHZTA-UHFFFAOYSA-N 1 0 324.468 4.386 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000438607176 338349861 /nfs/dbraw/zinc/34/98/61/338349861.db2.gz MZRMCGZBNUJCNR-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO C=CCC[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1C)C1CC1 ZINC000438999459 338358065 /nfs/dbraw/zinc/35/80/65/338358065.db2.gz LWUTULIYRYADJL-KRWDZBQOSA-N 1 0 320.864 4.311 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)C1CC1 ZINC000439078564 338360422 /nfs/dbraw/zinc/36/04/22/338360422.db2.gz OQDGDVTUTMRABG-LJQANCHMSA-N 1 0 313.489 4.296 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440568229 338390522 /nfs/dbraw/zinc/39/05/22/338390522.db2.gz YLONJLJTGHLIMU-MNDZRTMASA-N 1 0 324.468 4.289 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)ccc1C#N ZINC000440833540 338398373 /nfs/dbraw/zinc/39/83/73/338398373.db2.gz SSRJRODIQSZBNU-HXUWFJFHSA-N 1 0 324.399 4.337 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000441339104 338409238 /nfs/dbraw/zinc/40/92/38/338409238.db2.gz XWXXJTXFNYBHJG-UHFFFAOYSA-N 1 0 303.258 4.474 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000441379931 338411070 /nfs/dbraw/zinc/41/10/70/338411070.db2.gz GMGOQOASPPGCJO-UHFFFAOYSA-N 1 0 312.335 4.005 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]C1CCC(C(F)F)CC1)C(C)C ZINC000442714791 338428840 /nfs/dbraw/zinc/42/88/40/338428840.db2.gz ZAYBCJUSFQUJRG-OFLPRAFFSA-N 1 0 314.464 4.099 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000442721299 338429053 /nfs/dbraw/zinc/42/90/53/338429053.db2.gz SWCSPPRVCOKZPS-GHTZIAJQSA-N 1 0 320.436 4.185 20 30 DIEDRO C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442722949 338429145 /nfs/dbraw/zinc/42/91/45/338429145.db2.gz WBVVTQGTRMSSBW-INMHGKMJSA-N 1 0 300.446 4.033 20 30 DIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442763471 338429824 /nfs/dbraw/zinc/42/98/24/338429824.db2.gz GRNXOYGMSODQAO-NUJGCVRESA-N 1 0 300.446 4.454 20 30 DIEDRO COc1ccc(C2(C[NH2+][C@H]3CC[C@H](C#N)C3)CCCCC2)cc1 ZINC000442765269 338429839 /nfs/dbraw/zinc/42/98/39/338429839.db2.gz IVZQDHFRZIROFX-WMZOPIPTSA-N 1 0 312.457 4.179 20 30 DIEDRO COc1ccc(-c2csc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2)cc1 ZINC000442780132 338430743 /nfs/dbraw/zinc/43/07/43/338430743.db2.gz FTBMSMHTNSDFLW-BBRMVZONSA-N 1 0 312.438 4.206 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000442779500 338430780 /nfs/dbraw/zinc/43/07/80/338430780.db2.gz LPJOKNZPPIPBQT-YPMHNXCESA-N 1 0 313.228 4.044 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442783500 338430969 /nfs/dbraw/zinc/43/09/69/338430969.db2.gz NSEMSDYUXNDLHW-DOMZBBRYSA-N 1 0 310.363 4.265 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000442785905 338431266 /nfs/dbraw/zinc/43/12/66/338431266.db2.gz WJPQGFXCRLJVTM-RTBURBONSA-N 1 0 306.409 4.047 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000442786081 338431287 /nfs/dbraw/zinc/43/12/87/338431287.db2.gz SOWJTGYJMYSIAN-WOJBJXKFSA-N 1 0 320.436 4.090 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(C#N)cc1F ZINC000442806389 338432816 /nfs/dbraw/zinc/43/28/16/338432816.db2.gz BNUXDPSSLKBCGR-ZDUSSCGKSA-N 1 0 307.372 4.072 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000442851339 338434619 /nfs/dbraw/zinc/43/46/19/338434619.db2.gz FWFSQTDNZJALQB-ALLBUHFWSA-N 1 0 323.415 4.230 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1CCC(C#N)CC1 ZINC000442862021 338435736 /nfs/dbraw/zinc/43/57/36/338435736.db2.gz ZIMLMRFBHWTPQH-JFIBYHEFSA-N 1 0 312.457 4.337 20 30 DIEDRO C=CCSCC[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000446890866 338539895 /nfs/dbraw/zinc/53/98/95/338539895.db2.gz QFOCXTGEZDJUAX-OAHLLOKOSA-N 1 0 309.500 4.131 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447538533 338555319 /nfs/dbraw/zinc/55/53/19/338555319.db2.gz CIKKBEVTZIGYPB-YWZLYKJASA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(C#N)cc1 ZINC000447540527 338555619 /nfs/dbraw/zinc/55/56/19/338555619.db2.gz JLDYXIQYNIGCJT-LJQANCHMSA-N 1 0 308.400 4.470 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447586031 338559557 /nfs/dbraw/zinc/55/95/57/338559557.db2.gz MJRBPKDNWHELRO-MGPUTAFESA-N 1 0 308.425 4.239 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000447589817 338559995 /nfs/dbraw/zinc/55/99/95/338559995.db2.gz ZBQPIYFJTNRDKP-HBMCJLEFSA-N 1 0 319.452 4.044 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000447589955 338560003 /nfs/dbraw/zinc/56/00/03/338560003.db2.gz ZQJDVVZUBSNANO-SFHVURJKSA-N 1 0 323.440 4.371 20 30 DIEDRO C=CCCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000447796691 338566724 /nfs/dbraw/zinc/56/67/24/338566724.db2.gz XONBIJBQQJREIV-IBGZPJMESA-N 1 0 308.425 4.231 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000449088287 338592291 /nfs/dbraw/zinc/59/22/91/338592291.db2.gz BANVQSKKEMQNJY-BFHRDPOASA-N 1 0 302.393 4.101 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(C(=O)C(CC)CC)CC1 ZINC000449092513 338592765 /nfs/dbraw/zinc/59/27/65/338592765.db2.gz TUIAZQCZCGWSEO-MRXNPFEDSA-N 1 0 308.510 4.138 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCCc2nc3c(s2)CCCC3)CC1 ZINC000449113715 338594682 /nfs/dbraw/zinc/59/46/82/338594682.db2.gz BBJILTISNVXIJG-UHFFFAOYSA-N 1 0 317.502 4.017 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000449207901 338602512 /nfs/dbraw/zinc/60/25/12/338602512.db2.gz ROIDCYSURDTGBS-JDEYZFBPSA-N 1 0 318.848 4.232 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000449283273 338609374 /nfs/dbraw/zinc/60/93/74/338609374.db2.gz KZMNAXDMMIPWIG-MAUKXSAKSA-N 1 0 313.445 4.386 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000449310537 338611614 /nfs/dbraw/zinc/61/16/14/338611614.db2.gz HKJUNTGTHGGGNC-WMZOPIPTSA-N 1 0 315.461 4.017 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000449309772 338611625 /nfs/dbraw/zinc/61/16/25/338611625.db2.gz CIZNLZPHBZMILR-RYRKJORJSA-N 1 0 305.466 4.019 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCCCC2(F)F)c1 ZINC000449377924 338619319 /nfs/dbraw/zinc/61/93/19/338619319.db2.gz PUZPORFQHUJOCI-INIZCTEOSA-N 1 0 322.399 4.284 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000449446501 338624912 /nfs/dbraw/zinc/62/49/12/338624912.db2.gz RSVGDVLJJBETEH-GUYCJALGSA-N 1 0 318.848 4.301 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000451060548 338720089 /nfs/dbraw/zinc/72/00/89/338720089.db2.gz GANIVRQNDPKXCK-NHCUHLMSSA-N 1 0 322.452 4.269 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453102101 338794123 /nfs/dbraw/zinc/79/41/23/338794123.db2.gz OTFSITRDSBZGJZ-WMLDXEAASA-N 1 0 304.503 4.317 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CSc3ccccc31)CC2 ZINC000453215724 338809018 /nfs/dbraw/zinc/80/90/18/338809018.db2.gz GQKORFMTASDUNP-MAUKXSAKSA-N 1 0 306.434 4.025 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(C#N)cc1 ZINC000453315924 338823441 /nfs/dbraw/zinc/82/34/41/338823441.db2.gz HPUZNPWKCDDXEP-NZSAHSFTSA-N 1 0 300.446 4.050 20 30 DIEDRO C=CCC1(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CCCC1 ZINC000453340261 338827508 /nfs/dbraw/zinc/82/75/08/338827508.db2.gz BNUSKIPHXSHWFD-VFNWGFHPSA-N 1 0 305.487 4.211 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH+]2CCC(Cc3cc(F)ccc3F)CC2)C1 ZINC000453351061 338829454 /nfs/dbraw/zinc/82/94/54/338829454.db2.gz IAHYMWHTGABVKG-YJBOKZPZSA-N 1 0 318.411 4.302 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(OC)cc1 ZINC000453368198 338832890 /nfs/dbraw/zinc/83/28/90/338832890.db2.gz QDOVEZADDATKBB-LJQANCHMSA-N 1 0 312.388 4.337 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(F)ccc1F ZINC000453385112 338835907 /nfs/dbraw/zinc/83/59/07/338835907.db2.gz NXOHBWJUGPKAPO-GOSISDBHSA-N 1 0 318.342 4.462 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(C#N)c1 ZINC000453443254 338842497 /nfs/dbraw/zinc/84/24/97/338842497.db2.gz YNENMWGMNPODBE-KBRIMQKVSA-N 1 0 312.438 4.191 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459296025 339019799 /nfs/dbraw/zinc/01/97/99/339019799.db2.gz MONDPLLJFRBKIY-UHFFFAOYSA-N 1 0 324.472 4.458 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673366 339042306 /nfs/dbraw/zinc/04/23/06/339042306.db2.gz YLFKCPISANKXKG-HUUCEWRRSA-N 1 0 319.411 4.412 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000459695228 339043409 /nfs/dbraw/zinc/04/34/09/339043409.db2.gz OTDLUGROHARLIR-UHFFFAOYSA-N 1 0 318.367 4.471 20 30 DIEDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(C)(C)CC#N ZINC000459728856 339044694 /nfs/dbraw/zinc/04/46/94/339044694.db2.gz JIEJAQBXKAKHOG-CYBMUJFWSA-N 1 0 310.388 4.139 20 30 DIEDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(C)(C)CC#N ZINC000459728857 339044758 /nfs/dbraw/zinc/04/47/58/339044758.db2.gz JIEJAQBXKAKHOG-ZDUSSCGKSA-N 1 0 310.388 4.139 20 30 DIEDRO COc1ccc(C[NH2+]CC(C)(C)CC#N)cc1OCCC(C)C ZINC000459731946 339044998 /nfs/dbraw/zinc/04/49/98/339044998.db2.gz NWXYBWSIRSTZQB-UHFFFAOYSA-N 1 0 318.461 4.150 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503427676 339060042 /nfs/dbraw/zinc/06/00/42/339060042.db2.gz DYXBUSZJXALGLG-SJORKVTESA-N 1 0 301.478 4.144 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CCC)Cc2ccccc2)CC1 ZINC000462049445 339071468 /nfs/dbraw/zinc/07/14/68/339071468.db2.gz NZVLKDCXLXTBQP-FQEVSTJZSA-N 1 0 300.490 4.028 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@H](CC)CCc1ccc(Br)cc1 ZINC000462057686 339071564 /nfs/dbraw/zinc/07/15/64/339071564.db2.gz JAHOMQBOFWSQRG-HZPDHXFCSA-N 1 0 323.278 4.442 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCc1c[nH]c2c1cccc2C ZINC000462732056 339085332 /nfs/dbraw/zinc/08/53/32/339085332.db2.gz UBTSKRRZWWIOIJ-UHFFFAOYSA-N 1 0 320.436 4.373 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2C)cc1 ZINC000462734942 339085594 /nfs/dbraw/zinc/08/55/94/339085594.db2.gz CIEZMCWGZGJXTC-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](C)Cc1cccs1 ZINC000462752611 339086957 /nfs/dbraw/zinc/08/69/57/339086957.db2.gz DRFORWRVBDSEAO-HNNXBMFYSA-N 1 0 301.455 4.281 20 30 DIEDRO C[NH+](C)[C@H](CNc1c(Cl)cccc1C#N)c1ccc(F)cc1 ZINC000462777807 339088028 /nfs/dbraw/zinc/08/80/28/339088028.db2.gz NGOZDDPVISEETC-MRXNPFEDSA-N 1 0 317.795 4.066 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000462803219 339089975 /nfs/dbraw/zinc/08/99/75/339089975.db2.gz AJQKINDCFYQUSV-IBGZPJMESA-N 1 0 309.409 4.124 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1ccc(F)cc1C#N)c1ccsc1 ZINC000462918558 339098025 /nfs/dbraw/zinc/09/80/25/339098025.db2.gz CZRYLVLIYVFGPY-KRWDZBQOSA-N 1 0 317.433 4.254 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000463149020 339107302 /nfs/dbraw/zinc/10/73/02/339107302.db2.gz UNMHYZHQNABALJ-VXKWHMMOSA-N 1 0 314.432 4.451 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463282579 339113217 /nfs/dbraw/zinc/11/32/17/339113217.db2.gz LBFRZCNADDUIQS-UXLLHSPISA-N 1 0 318.486 4.158 20 30 DIEDRO COc1cccc(C2(C[NH2+][C@H]3CCC[C@H](C#N)C3)CCCC2)c1 ZINC000463285669 339113436 /nfs/dbraw/zinc/11/34/36/339113436.db2.gz TVXVARBRGJLPRY-WMZOPIPTSA-N 1 0 312.457 4.179 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000463285351 339113443 /nfs/dbraw/zinc/11/34/43/339113443.db2.gz IVGKCLNNJMCMPG-IRXDYDNUSA-N 1 0 312.457 4.179 20 30 DIEDRO COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000463285350 339113466 /nfs/dbraw/zinc/11/34/66/339113466.db2.gz IVGKCLNNJMCMPG-IAGOWNOFSA-N 1 0 312.457 4.179 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000463292607 339113793 /nfs/dbraw/zinc/11/37/93/339113793.db2.gz WPNWUDKJRQVLLF-PMACEKPBSA-N 1 0 320.436 4.438 20 30 DIEDRO CC[N@H+](CCCC1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000463303624 339114292 /nfs/dbraw/zinc/11/42/92/339114292.db2.gz TZAZAHZPHAWXCN-MRXNPFEDSA-N 1 0 300.446 4.148 20 30 DIEDRO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](C)OC ZINC000463421194 339117289 /nfs/dbraw/zinc/11/72/89/339117289.db2.gz YDRUBCGGXZNXDJ-INIZCTEOSA-N 1 0 308.425 4.082 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCOc2ccccc2C#N)C1 ZINC000464741294 339150803 /nfs/dbraw/zinc/15/08/03/339150803.db2.gz SUQVFMLHFQKION-KXBFYZLASA-N 1 0 324.399 4.159 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2ccccc2C#N)[C@H](c2ccco2)C1 ZINC000464852788 339158018 /nfs/dbraw/zinc/15/80/18/339158018.db2.gz CDWRZERSECOBRZ-RDJZCZTQSA-N 1 0 310.397 4.003 20 30 DIEDRO C=C[C@@H](C)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000465179488 339171013 /nfs/dbraw/zinc/17/10/13/339171013.db2.gz QKYSGQYWTSJLOJ-OAHLLOKOSA-N 1 0 315.461 4.147 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000466382758 339201672 /nfs/dbraw/zinc/20/16/72/339201672.db2.gz IIQHYQLSSMAEEU-ZDUSSCGKSA-N 1 0 317.351 4.081 20 30 DIEDRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCc1cccc(C#N)c1 ZINC000466427018 339204454 /nfs/dbraw/zinc/20/44/54/339204454.db2.gz YQHRVOQVSBASES-RVDMUPIBSA-N 1 0 310.828 4.447 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)o1 ZINC000466476807 339206710 /nfs/dbraw/zinc/20/67/10/339206710.db2.gz AJMLNRNFCFRWDN-HAQNSBGRSA-N 1 0 321.207 4.494 20 30 DIEDRO CC#CCCCC(=O)N(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000466662563 339212241 /nfs/dbraw/zinc/21/22/41/339212241.db2.gz WTULHPBWWIDDGV-UHFFFAOYSA-N 1 0 320.521 4.118 20 30 DIEDRO COCC[C@@H]1CCCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000467271913 339229560 /nfs/dbraw/zinc/22/95/60/339229560.db2.gz VKWMPCWSMAWOIP-KRWDZBQOSA-N 1 0 314.473 4.126 20 30 DIEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000467283445 339229816 /nfs/dbraw/zinc/22/98/16/339229816.db2.gz VKVAJFIXACMMHP-HNNXBMFYSA-N 1 0 320.392 4.424 20 30 DIEDRO C=CCC[N@@H+](C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000467287611 339229977 /nfs/dbraw/zinc/22/99/77/339229977.db2.gz IOYIECSWRIWALG-UHFFFAOYSA-N 1 0 310.319 4.368 20 30 DIEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000467299644 339230419 /nfs/dbraw/zinc/23/04/19/339230419.db2.gz LVADCYBEPMJPDN-UHFFFAOYSA-N 1 0 324.424 4.234 20 30 DIEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000467301862 339230518 /nfs/dbraw/zinc/23/05/18/339230518.db2.gz BSHLLMDUJJYLBF-INIZCTEOSA-N 1 0 324.424 4.314 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000467302400 339230565 /nfs/dbraw/zinc/23/05/65/339230565.db2.gz GLFBUPXHTPOUBS-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000467411045 339237090 /nfs/dbraw/zinc/23/70/90/339237090.db2.gz LYGOGGZDRVYJBY-SWLSCSKDSA-N 1 0 318.852 4.234 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000467418907 339237571 /nfs/dbraw/zinc/23/75/71/339237571.db2.gz OSYSPUCTRPWGIP-ZFWWWQNUSA-N 1 0 308.853 4.310 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1cccc(C#N)c1 ZINC000467432914 339238167 /nfs/dbraw/zinc/23/81/67/339238167.db2.gz NKYYEROPCSSOHI-HXUWFJFHSA-N 1 0 310.416 4.097 20 30 DIEDRO Cc1cc([C@H]([NH2+]CCc2cccc(C#N)c2)C2CC2)ccc1F ZINC000467433984 339238370 /nfs/dbraw/zinc/23/83/70/339238370.db2.gz BGAQAIAPJQBGFK-HXUWFJFHSA-N 1 0 308.400 4.289 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000467435483 339238470 /nfs/dbraw/zinc/23/84/70/339238470.db2.gz YLNXBICZWVHXBP-INIZCTEOSA-N 1 0 308.425 4.240 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000467455121 339239783 /nfs/dbraw/zinc/23/97/83/339239783.db2.gz RHFSLUKJVYBIRE-CYBMUJFWSA-N 1 0 318.342 4.470 20 30 DIEDRO CC(C)[N@H+](Cc1cccc(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000468267266 339258333 /nfs/dbraw/zinc/25/83/33/339258333.db2.gz AAPGMNMLMOMYCW-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000468271946 339258430 /nfs/dbraw/zinc/25/84/30/339258430.db2.gz HEUVWGMBPNGJED-ZDUSSCGKSA-N 1 0 300.352 4.420 20 30 DIEDRO N#Cc1cc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)ccc1F ZINC000468278042 339258749 /nfs/dbraw/zinc/25/87/49/339258749.db2.gz PJSDBGQMINFEHO-HXUWFJFHSA-N 1 0 306.384 4.349 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000468366563 339260742 /nfs/dbraw/zinc/26/07/42/339260742.db2.gz HIAXCXUVRVDYCR-RTWAWAEBSA-N 1 0 312.501 4.261 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000468366562 339260777 /nfs/dbraw/zinc/26/07/77/339260777.db2.gz HIAXCXUVRVDYCR-NHCUHLMSSA-N 1 0 312.501 4.261 20 30 DIEDRO CC(C)CN(Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C#N ZINC000468867019 339273179 /nfs/dbraw/zinc/27/31/79/339273179.db2.gz GFXRUUKMYOYCRB-UHFFFAOYSA-N 1 0 321.399 4.227 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000468935618 339275239 /nfs/dbraw/zinc/27/52/39/339275239.db2.gz LWCQIQLCOBLFLS-IBGZPJMESA-N 1 0 318.892 4.421 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000469454550 339290075 /nfs/dbraw/zinc/29/00/75/339290075.db2.gz LKBQTTFOCYOECE-MRXNPFEDSA-N 1 0 312.363 4.020 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000469762672 339298213 /nfs/dbraw/zinc/29/82/13/339298213.db2.gz YQUVESOBXCWYGA-IERDGZPVSA-N 1 0 320.436 4.445 20 30 DIEDRO CC(C)C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCc2cccnc21 ZINC000469790033 339300103 /nfs/dbraw/zinc/30/01/03/339300103.db2.gz HYMOKQLKQOMASV-HXUWFJFHSA-N 1 0 319.452 4.489 20 30 DIEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000470169057 339312625 /nfs/dbraw/zinc/31/26/25/339312625.db2.gz BCFFXGLDLUWYEM-GDNBJRDFSA-N 1 0 321.380 4.002 20 30 DIEDRO C=CCOCCC[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000470771540 339327358 /nfs/dbraw/zinc/32/73/58/339327358.db2.gz GQVMQKHCCZQQBN-SFHVURJKSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000470778164 339327584 /nfs/dbraw/zinc/32/75/84/339327584.db2.gz BUCHYLRZGSDNMM-MRXNPFEDSA-N 1 0 313.363 4.339 20 30 DIEDRO C=CCOCCC[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000470778320 339327808 /nfs/dbraw/zinc/32/78/08/339327808.db2.gz GGODUHQECQGBFZ-UHFFFAOYSA-N 1 0 307.384 4.037 20 30 DIEDRO C=CCOCCC[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000470782377 339327941 /nfs/dbraw/zinc/32/79/41/339327941.db2.gz VDUYVTGQYCCEIH-UHFFFAOYSA-N 1 0 310.441 4.158 20 30 DIEDRO C=C(C)C[N@@H+](CCc1nc2ccccc2n1C)Cc1ccccc1 ZINC000470909695 339331158 /nfs/dbraw/zinc/33/11/58/339331158.db2.gz UVTVVFOAJCGLRU-UHFFFAOYSA-N 1 0 319.452 4.194 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2ccc(F)cc2)cc1 ZINC000471590742 339348324 /nfs/dbraw/zinc/34/83/24/339348324.db2.gz OGACHRFKYOGMAS-HEFCMCLBSA-N 1 0 324.399 4.206 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000471592436 339348534 /nfs/dbraw/zinc/34/85/34/339348534.db2.gz FIQWBKHXNRUZAW-HNNXBMFYSA-N 1 0 322.880 4.023 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000471610660 339349382 /nfs/dbraw/zinc/34/93/82/339349382.db2.gz HSNHJALOUVJAKW-CQSZACIVSA-N 1 0 308.853 4.311 20 30 DIEDRO C=CCCCC[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000472056167 339361272 /nfs/dbraw/zinc/36/12/72/339361272.db2.gz RZNIEEUDLQYFGP-UHFFFAOYSA-N 1 0 316.470 4.476 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000472145083 339364195 /nfs/dbraw/zinc/36/41/95/339364195.db2.gz ASTGCWYERQTXQR-FUHWJXTLSA-N 1 0 324.399 4.187 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000472143014 339364231 /nfs/dbraw/zinc/36/42/31/339364231.db2.gz WAXUSWNZZNUSMA-IEBWSBKVSA-N 1 0 306.409 4.047 20 30 DIEDRO C[N@H+](CCCOc1cccc(Cl)c1)CCCC(C)(C)C#N ZINC000472439713 339371859 /nfs/dbraw/zinc/37/18/59/339371859.db2.gz MVPVQXWNTNQDJO-UHFFFAOYSA-N 1 0 308.853 4.371 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000472440065 339371930 /nfs/dbraw/zinc/37/19/30/339371930.db2.gz ORYZCBZNPZATQU-UHFFFAOYSA-N 1 0 302.437 4.410 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744727 339376746 /nfs/dbraw/zinc/37/67/46/339376746.db2.gz DBZLJBRCUWIMMR-DOMZBBRYSA-N 1 0 301.352 4.025 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744732 339376794 /nfs/dbraw/zinc/37/67/94/339376794.db2.gz DBZLJBRCUWIMMR-IUODEOHRSA-N 1 0 301.352 4.025 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000475358627 339449055 /nfs/dbraw/zinc/44/90/55/339449055.db2.gz QHMXZPXHMSTANT-UKRRQHHQSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000475563984 339455567 /nfs/dbraw/zinc/45/55/67/339455567.db2.gz RRWHEMUQUIECMX-HOCLYGCPSA-N 1 0 300.402 4.185 20 30 DIEDRO CCC(CC)(CC)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478309183 339513245 /nfs/dbraw/zinc/51/32/45/339513245.db2.gz YCLJCFWGTOHGMO-UHFFFAOYSA-N 1 0 324.472 4.265 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000479423419 339534373 /nfs/dbraw/zinc/53/43/73/339534373.db2.gz PJKFYQCIHCAXRR-QGTPRVQTSA-N 1 0 309.400 4.375 20 30 DIEDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000479495480 339538059 /nfs/dbraw/zinc/53/80/59/339538059.db2.gz JVWMQCDPQNMXRW-DYESRHJHSA-N 1 0 322.452 4.247 20 30 DIEDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000479496492 339538193 /nfs/dbraw/zinc/53/81/93/339538193.db2.gz JEVYOVPFZUPHMZ-LAUBAEHRSA-N 1 0 322.452 4.247 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccs1 ZINC000480361294 339570647 /nfs/dbraw/zinc/57/06/47/339570647.db2.gz IQTWYBQOSYHHOQ-QGZVFWFLSA-N 1 0 301.459 4.225 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1sc(C)nc1C)C(C)C ZINC000480755005 339585974 /nfs/dbraw/zinc/58/59/74/339585974.db2.gz LTZGXKSYVFSZJO-RHSMWYFYSA-N 1 0 321.534 4.109 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCC(C)(C)C#N ZINC000481341009 339601852 /nfs/dbraw/zinc/60/18/52/339601852.db2.gz GHUXKEXIMDDLJX-CJNGLKHVSA-N 1 0 308.853 4.336 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000482946645 339647827 /nfs/dbraw/zinc/64/78/27/339647827.db2.gz KWBUSKWLCGMBOR-GOSISDBHSA-N 1 0 301.474 4.109 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483663315 339671252 /nfs/dbraw/zinc/67/12/52/339671252.db2.gz RHSYXKBKNXICRY-IACUBPJLSA-N 1 0 317.408 4.435 20 30 DIEDRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]CCCC#N)cc1 ZINC000483695841 339671811 /nfs/dbraw/zinc/67/18/11/339671811.db2.gz GMBCPNMAEXTCKV-OALUTQOASA-N 1 0 316.445 4.059 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2)cc1OCC ZINC000484066147 339680407 /nfs/dbraw/zinc/68/04/07/339680407.db2.gz GWDWWTGYGQUOSG-QGZVFWFLSA-N 1 0 323.436 4.186 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)ccc1C#N ZINC000488234913 339774138 /nfs/dbraw/zinc/77/41/38/339774138.db2.gz SDGSIVWEHUYUBE-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO Cc1ccc([C@@H](CNc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000489200932 339803419 /nfs/dbraw/zinc/80/34/19/339803419.db2.gz VAUHRNJYZTXFMS-HXUWFJFHSA-N 1 0 305.425 4.116 20 30 DIEDRO Cc1cccc([C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000490036608 339824084 /nfs/dbraw/zinc/82/40/84/339824084.db2.gz DRPUCDQLRSXLSP-KRWDZBQOSA-N 1 0 320.436 4.471 20 30 DIEDRO N#Cc1csc(C[NH2+]CCCCCc2ccc(F)cc2)c1 ZINC000494247348 339944727 /nfs/dbraw/zinc/94/47/27/339944727.db2.gz JKOWDPMDXWGWKR-UHFFFAOYSA-N 1 0 302.418 4.261 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000495435492 339984449 /nfs/dbraw/zinc/98/44/49/339984449.db2.gz XAOUJBFABFQFFE-OAHLLOKOSA-N 1 0 308.809 4.125 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@@H](C)C1CCCCC1 ZINC000499628800 340041657 /nfs/dbraw/zinc/04/16/57/340041657.db2.gz WYJRAGQQELJNPI-SJORKVTESA-N 1 0 306.494 4.281 20 30 DIEDRO CCCC1CCC([N@H+](C)CCCC2(C#N)CCOCC2)CC1 ZINC000499730056 340043600 /nfs/dbraw/zinc/04/36/00/340043600.db2.gz ATOCIQCEPAVXAT-UHFFFAOYSA-N 1 0 306.494 4.378 20 30 DIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1ccc(F)cc1C#N ZINC000500159290 340051674 /nfs/dbraw/zinc/05/16/74/340051674.db2.gz AFNVBLTYFWVOCT-UHFFFAOYSA-N 1 0 314.379 4.291 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2CCC(C)CC2)cc(OC)c1O ZINC000500160783 340051702 /nfs/dbraw/zinc/05/17/02/340051702.db2.gz XMGYPFCYRGZPKV-UHFFFAOYSA-N 1 0 303.446 4.045 20 30 DIEDRO C=CCCOCC[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000500399548 340056827 /nfs/dbraw/zinc/05/68/27/340056827.db2.gz FOYXARINVAFWNP-WYMLVPIESA-N 1 0 313.363 4.291 20 30 DIEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2c(F)cc(C#N)cc2F)C1 ZINC000500531761 340061609 /nfs/dbraw/zinc/06/16/09/340061609.db2.gz BYUPEOWOAXTTSQ-OKILXGFUSA-N 1 0 321.415 4.006 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000501236818 340076882 /nfs/dbraw/zinc/07/68/82/340076882.db2.gz HCNCAZIMFOZAFW-HXUWFJFHSA-N 1 0 318.420 4.219 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000501255178 340077371 /nfs/dbraw/zinc/07/73/71/340077371.db2.gz BABRAYLMCSMDEX-GOSISDBHSA-N 1 0 310.372 4.043 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000501483902 340082134 /nfs/dbraw/zinc/08/21/34/340082134.db2.gz XHCTXLAURMNNJU-YLJYHZDGSA-N 1 0 322.452 4.462 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000502429112 340103106 /nfs/dbraw/zinc/10/31/06/340103106.db2.gz GQUYWKMNDXMXGU-FAFZWHIHSA-N 1 0 310.441 4.171 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)oc1C ZINC000502434515 340103472 /nfs/dbraw/zinc/10/34/72/340103472.db2.gz ZLRGNBWKGYTSCW-CQSZACIVSA-N 1 0 314.454 4.352 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCCCC(F)(F)F)CC2)cc1 ZINC000502505579 340106267 /nfs/dbraw/zinc/10/62/67/340106267.db2.gz FGVQNAJBHXEKCJ-UHFFFAOYSA-N 1 0 308.347 4.380 20 30 DIEDRO CC[C@H]1C[C@@]1([NH2+]Cc1ccc(CC#N)cc1)c1cccc(C)c1 ZINC000502512781 340106539 /nfs/dbraw/zinc/10/65/39/340106539.db2.gz SEHMRDZVUYUWDW-FPOVZHCZSA-N 1 0 304.437 4.476 20 30 DIEDRO CC(C)(C)c1cnc(CN2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000502520461 340106767 /nfs/dbraw/zinc/10/67/67/340106767.db2.gz BTUXSZXSFQDQKH-UHFFFAOYSA-N 1 0 321.424 4.133 20 30 DIEDRO CC[C@H]1C[C@]1([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(C)c1 ZINC000502550154 340107444 /nfs/dbraw/zinc/10/74/44/340107444.db2.gz HHBSUIPLUDNYMV-FXAWDEMLSA-N 1 0 308.400 4.421 20 30 DIEDRO C=CC[N@@H+](CCc1csc(C)n1)Cc1ccc(Cl)s1 ZINC000502721665 340112309 /nfs/dbraw/zinc/11/23/09/340112309.db2.gz JDTKLTHFXUFREI-UHFFFAOYSA-N 1 0 312.891 4.397 20 30 DIEDRO CCC[N@H+](CCC(C)(C)C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502908220 340116437 /nfs/dbraw/zinc/11/64/37/340116437.db2.gz ATSXKCRQQAZHML-MRXNPFEDSA-N 1 0 315.461 4.056 20 30 DIEDRO C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCC(C#N)CC1 ZINC000503914819 340136737 /nfs/dbraw/zinc/13/67/37/340136737.db2.gz ZFILLYZDLYTAGN-JLHYYAGUSA-N 1 0 308.347 4.344 20 30 DIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1 ZINC000503932126 340137421 /nfs/dbraw/zinc/13/74/21/340137421.db2.gz TVNZBWVHSVNCBO-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(C#N)c(F)c1 ZINC000503946820 340138241 /nfs/dbraw/zinc/13/82/41/340138241.db2.gz KQKBHRYNRVAHHM-CYBMUJFWSA-N 1 0 307.372 4.072 20 30 DIEDRO COc1ccccc1CCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000505561585 340170999 /nfs/dbraw/zinc/17/09/99/340170999.db2.gz IRDZYNJNEUOYHO-UHFFFAOYSA-N 1 0 320.436 4.164 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1OC ZINC000505581976 340171628 /nfs/dbraw/zinc/17/16/28/340171628.db2.gz NMEISIHMXWMJLH-UHFFFAOYSA-N 1 0 315.388 4.031 20 30 DIEDRO C=CCc1cc(C[N@H+](C)Cc2ccccc2C)cc(OC)c1O ZINC000505600898 340172369 /nfs/dbraw/zinc/17/23/69/340172369.db2.gz BBADKQUVXASHFH-UHFFFAOYSA-N 1 0 311.425 4.070 20 30 DIEDRO CC(C)(C)c1ccc(OCCC[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000506012822 340183330 /nfs/dbraw/zinc/18/33/30/340183330.db2.gz NYXLZWRXMIKTKR-UHFFFAOYSA-N 1 0 314.473 4.379 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC)c(OCC)c1 ZINC000506018025 340183512 /nfs/dbraw/zinc/18/35/12/340183512.db2.gz WUBOOCPTYOTKGA-UHFFFAOYSA-N 1 0 317.454 4.344 20 30 DIEDRO C=CCc1cc(C[N@H+](C)Cc2cccc(C)c2)cc(OC)c1O ZINC000506203066 340188449 /nfs/dbraw/zinc/18/84/49/340188449.db2.gz JNCHKDNJCHLGIY-UHFFFAOYSA-N 1 0 311.425 4.070 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)cs1)[C@H](C)Cc1ccc(OC)cc1 ZINC000506414420 340194257 /nfs/dbraw/zinc/19/42/57/340194257.db2.gz DTKRUYVQHHDHDU-CQSZACIVSA-N 1 0 314.454 4.081 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@H]2C[C@H]2c2ccccc2)C2CC2)cc1 ZINC000506545063 340196529 /nfs/dbraw/zinc/19/65/29/340196529.db2.gz IFOAMJXGZLSJGH-CTNGQTDRSA-N 1 0 302.421 4.326 20 30 DIEDRO CSc1cccc(F)c1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000506629576 340197978 /nfs/dbraw/zinc/19/79/78/340197978.db2.gz BJFYCQWWFPROKZ-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccccc1-c1ccnn1C ZINC000507014465 340205447 /nfs/dbraw/zinc/20/54/47/340205447.db2.gz WHLBTSBPDUAEIQ-UHFFFAOYSA-N 1 0 323.465 4.337 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](Cc2conc2C)C(C)(C)C)cc1 ZINC000507022417 340205692 /nfs/dbraw/zinc/20/56/92/340205692.db2.gz RMNRKOKNWOGZOI-UHFFFAOYSA-N 1 0 314.429 4.349 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](CCCC#N)Cc1ccccc1 ZINC000507220311 340214113 /nfs/dbraw/zinc/21/41/13/340214113.db2.gz VKSQJBKBOYUMHX-GOSISDBHSA-N 1 0 322.452 4.432 20 30 DIEDRO Cc1ccc([C@H](C)[N@H+](C)Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000507225623 340214444 /nfs/dbraw/zinc/21/44/44/340214444.db2.gz ALYWWVCTOKINTE-INIZCTEOSA-N 1 0 318.424 4.016 20 30 DIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000507377483 340218357 /nfs/dbraw/zinc/21/83/57/340218357.db2.gz WVFJBNAXPXYACK-LLVKDONJSA-N 1 0 308.303 4.363 20 30 DIEDRO CO[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C ZINC000507615636 340226372 /nfs/dbraw/zinc/22/63/72/340226372.db2.gz ZFNJENSYVMHJLV-QPIRBTGLSA-N 1 0 314.473 4.041 20 30 DIEDRO Cc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507634378 340227035 /nfs/dbraw/zinc/22/70/35/340227035.db2.gz IDCGGJLTKAQVHA-UHFFFAOYSA-N 1 0 304.437 4.489 20 30 DIEDRO C[C@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCS1 ZINC000507647730 340227186 /nfs/dbraw/zinc/22/71/86/340227186.db2.gz CKTQKXVVVNYASX-JLAWEPINSA-N 1 0 314.498 4.266 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C#N ZINC000507716460 340229401 /nfs/dbraw/zinc/22/94/01/340229401.db2.gz HLEKJUSDESGZCP-UHFFFAOYSA-N 1 0 303.409 4.088 20 30 DIEDRO COCC[N@H+](C/C(C)=C/c1ccccc1)Cc1ccc(C#N)cc1 ZINC000508566328 340246702 /nfs/dbraw/zinc/24/67/02/340246702.db2.gz FIXZMGRJKBLDOY-NBVRZTHBSA-N 1 0 320.436 4.110 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508600907 340247467 /nfs/dbraw/zinc/24/74/67/340247467.db2.gz RQMUEQNIGIYUTN-INIZCTEOSA-N 1 0 303.409 4.403 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508603982 340247706 /nfs/dbraw/zinc/24/77/06/340247706.db2.gz KWYNNOTYNOEXCW-HNNXBMFYSA-N 1 0 323.396 4.358 20 30 DIEDRO CCC[N@H+](Cc1sccc1OC)Cc1ccc(C#N)cc1 ZINC000508608550 340247972 /nfs/dbraw/zinc/24/79/72/340247972.db2.gz KLPPLGXYBMYHEV-UHFFFAOYSA-N 1 0 300.427 4.041 20 30 DIEDRO Cc1cc(C)cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000509052291 340259645 /nfs/dbraw/zinc/25/96/45/340259645.db2.gz DKFNXXBUKZMXJX-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO CCOc1cc(CN(CC)C[C@@H](C)C#N)ccc1OCC(C)C ZINC000509798802 340279317 /nfs/dbraw/zinc/27/93/17/340279317.db2.gz JVJCBYNOEJYZNU-INIZCTEOSA-N 1 0 318.461 4.102 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510649492 340305038 /nfs/dbraw/zinc/30/50/38/340305038.db2.gz ILKJXONKFMBDSG-MAUKXSAKSA-N 1 0 320.477 4.299 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000303167365 340308069 /nfs/dbraw/zinc/30/80/69/340308069.db2.gz IEGNBCKBKHSVLB-KRWDZBQOSA-N 1 0 308.400 4.467 20 30 DIEDRO C[C@@H](C[NH+]1CCC(F)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000510886199 340313834 /nfs/dbraw/zinc/31/38/34/340313834.db2.gz AYKPDKQAHMTHCL-LBPRGKRZSA-N 1 0 314.326 4.137 20 30 DIEDRO CC(C)(C)c1ccc(OCCC[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510915656 340314634 /nfs/dbraw/zinc/31/46/34/340314634.db2.gz JNDNGMDAERBHPP-UHFFFAOYSA-N 1 0 318.436 4.081 20 30 DIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000511037012 340318929 /nfs/dbraw/zinc/31/89/29/340318929.db2.gz WKSTVEAEBHXBDG-KZULUSFZSA-N 1 0 310.372 4.044 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)cc1 ZINC000303552588 340333357 /nfs/dbraw/zinc/33/33/57/340333357.db2.gz HGNGBZFCLVZQHA-HXUWFJFHSA-N 1 0 308.400 4.213 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1OC ZINC000511875316 340341378 /nfs/dbraw/zinc/34/13/78/340341378.db2.gz RTOAJQLNQXOLEQ-DLBZAZTESA-N 1 0 301.430 4.025 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OCC)c1 ZINC000512036773 340346292 /nfs/dbraw/zinc/34/62/92/340346292.db2.gz LSYSGOOFSXUMQU-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO C=CC[N@@H+](C/C=C/c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000512067343 340347328 /nfs/dbraw/zinc/34/73/28/340347328.db2.gz LEVVJYISFWJEKN-YRNVUSSQSA-N 1 0 318.420 4.268 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](CC)c1ccc(F)cc1 ZINC000512164465 340350370 /nfs/dbraw/zinc/35/03/70/340350370.db2.gz CPYWRNWGOAANLI-IBGZPJMESA-N 1 0 317.404 4.440 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000512344719 340358172 /nfs/dbraw/zinc/35/81/72/340358172.db2.gz ZHBPQULUNPVNKE-UHFFFAOYSA-N 1 0 308.141 4.134 20 30 DIEDRO C=C(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000512346565 340358285 /nfs/dbraw/zinc/35/82/85/340358285.db2.gz NODXJPYVEZPRRR-UHFFFAOYSA-N 1 0 323.465 4.326 20 30 DIEDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000512449008 340362334 /nfs/dbraw/zinc/36/23/34/340362334.db2.gz ANIGDTQODJPIJV-SJLPKXTDSA-N 1 0 314.473 4.003 20 30 DIEDRO CC[N@H+](CCC(=O)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000512449048 340362438 /nfs/dbraw/zinc/36/24/38/340362438.db2.gz AZKPXWJSRGEDPX-HNNXBMFYSA-N 1 0 324.399 4.353 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1F)Cc1cccc2ccccc21 ZINC000512481403 340363357 /nfs/dbraw/zinc/36/33/57/340363357.db2.gz UJNFNQHFJUEIJN-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1F ZINC000512479772 340363410 /nfs/dbraw/zinc/36/34/10/340363410.db2.gz IXGSZCRCUYJPCP-GOSISDBHSA-N 1 0 312.363 4.044 20 30 DIEDRO CSc1cccc(F)c1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000512497032 340364113 /nfs/dbraw/zinc/36/41/13/340364113.db2.gz PWYXFKXXSBYEMN-UHFFFAOYSA-N 1 0 300.402 4.018 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC000512537483 340365996 /nfs/dbraw/zinc/36/59/96/340365996.db2.gz SZKOQSHCENMMOO-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(F)c3cccnc23)cc1 ZINC000512573611 340367544 /nfs/dbraw/zinc/36/75/44/340367544.db2.gz NIYXBQQABOPBNQ-UHFFFAOYSA-N 1 0 322.383 4.229 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512621036 340369435 /nfs/dbraw/zinc/36/94/35/340369435.db2.gz URHXBUVPBDFPFM-ZDUSSCGKSA-N 1 0 314.379 4.465 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512623759 340369653 /nfs/dbraw/zinc/36/96/53/340369653.db2.gz GOTBISIDKNVKOQ-NEPJUHHUSA-N 1 0 316.351 4.257 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccc(C#N)cc1F ZINC000512641877 340370537 /nfs/dbraw/zinc/37/05/37/340370537.db2.gz KTOGSJDFWGYGNO-QWHCGFSZSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(C#N)cc1F ZINC000512642168 340370586 /nfs/dbraw/zinc/37/05/86/340370586.db2.gz MUMXHKDTKLPJJW-GFCCVEGCSA-N 1 0 302.418 4.387 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512641564 340370603 /nfs/dbraw/zinc/37/06/03/340370603.db2.gz IHZNOUJLOOCBDO-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512653723 340371169 /nfs/dbraw/zinc/37/11/69/340371169.db2.gz GOPIKRJKCMDTQJ-QWHCGFSZSA-N 1 0 300.352 4.291 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512655780 340371524 /nfs/dbraw/zinc/37/15/24/340371524.db2.gz WLXBGEZSMDNEFF-JCURWCKSSA-N 1 0 306.450 4.412 20 30 DIEDRO C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512661068 340371676 /nfs/dbraw/zinc/37/16/76/340371676.db2.gz PSGCMALIPGGAMA-OAHLLOKOSA-N 1 0 308.400 4.371 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1F ZINC000512665015 340371841 /nfs/dbraw/zinc/37/18/41/340371841.db2.gz CTAWCTHDFUHLFP-KPOBHBOGSA-N 1 0 324.399 4.268 20 30 DIEDRO Cc1cc(F)ccc1CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512671577 340372389 /nfs/dbraw/zinc/37/23/89/340372389.db2.gz FYRSWLXKGMKFQT-CYBMUJFWSA-N 1 0 300.352 4.038 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000512767672 340376546 /nfs/dbraw/zinc/37/65/46/340376546.db2.gz UUASGWBRAKPFKN-UHFFFAOYSA-N 1 0 314.429 4.214 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccccc1OC(F)(F)F ZINC000174815545 340396698 /nfs/dbraw/zinc/39/66/98/340396698.db2.gz XSHDOMRPMFNXGY-UHFFFAOYSA-N 1 0 314.351 4.347 20 30 DIEDRO COc1ccccc1CC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174841574 340397161 /nfs/dbraw/zinc/39/71/61/340397161.db2.gz ASOZKEZWSZEMAH-UHFFFAOYSA-N 1 0 314.473 4.280 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000174868065 340397971 /nfs/dbraw/zinc/39/79/71/340397971.db2.gz MLBKRRSQKFINRG-UHFFFAOYSA-N 1 0 321.262 4.137 20 30 DIEDRO C=CCC[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccco1 ZINC000513684422 340419378 /nfs/dbraw/zinc/41/93/78/340419378.db2.gz RBTUDVXUAPXEQZ-INIZCTEOSA-N 1 0 307.340 4.234 20 30 DIEDRO N#Cc1cc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)ccc1F ZINC000176857809 340432962 /nfs/dbraw/zinc/43/29/62/340432962.db2.gz SCAIKDCQPOCFNQ-UHFFFAOYSA-N 1 0 312.363 4.396 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)nc1 ZINC000516952537 340459861 /nfs/dbraw/zinc/45/98/61/340459861.db2.gz DPJKEJXSYJRVCM-GOSISDBHSA-N 1 0 311.816 4.238 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)c1ncccc1C)c1ccc(C#N)cc1 ZINC000517442428 340469916 /nfs/dbraw/zinc/46/99/16/340469916.db2.gz SBTVDCXSUORACQ-SFHVURJKSA-N 1 0 307.441 4.280 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCOc2cccc(Cl)c2Cl)cc1 ZINC000520944787 340477398 /nfs/dbraw/zinc/47/73/98/340477398.db2.gz KOESJCRVTTVSQX-UHFFFAOYSA-N 1 0 321.207 4.034 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000185874973 340506194 /nfs/dbraw/zinc/50/61/94/340506194.db2.gz ZOAVTZVODGNXAH-JSGCOSHPSA-N 1 0 306.812 4.183 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000192150878 340563215 /nfs/dbraw/zinc/56/32/15/340563215.db2.gz IWQPAVBXIXDFGZ-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)CCC#N ZINC000229680047 340614724 /nfs/dbraw/zinc/61/47/24/340614724.db2.gz YPGJEMZNWYPTBQ-CYBMUJFWSA-N 1 0 323.278 4.300 20 30 DIEDRO N#Cc1cc(Cl)ccc1NCCCCC[NH+]1CCCCC1 ZINC000303505639 340636830 /nfs/dbraw/zinc/63/68/30/340636830.db2.gz NSHVURCWFPHLRZ-UHFFFAOYSA-N 1 0 305.853 4.280 20 30 DIEDRO CC1CC[NH+](Cc2ccc(NCc3cccc(C#N)c3)cc2)CC1 ZINC000236637911 340663261 /nfs/dbraw/zinc/66/32/61/340663261.db2.gz YUIFBFPCTKOUEL-UHFFFAOYSA-N 1 0 319.452 4.402 20 30 DIEDRO C=CCOc1ccccc1CNc1ccc(C[NH+]2CCCC2)cc1 ZINC000236678052 340663789 /nfs/dbraw/zinc/66/37/89/340663789.db2.gz PDUSZYJUNJDDEU-UHFFFAOYSA-N 1 0 322.452 4.459 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000525248423 340696971 /nfs/dbraw/zinc/69/69/71/340696971.db2.gz WHNBVFCXHRHKAP-GJZGRUSLSA-N 1 0 324.424 4.377 20 30 DIEDRO C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000529529634 340759756 /nfs/dbraw/zinc/75/97/56/340759756.db2.gz ARHBPJJMBAWUEA-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3ccsc3C(F)(F)F)CC2)c1 ZINC000529547220 340762110 /nfs/dbraw/zinc/76/21/10/340762110.db2.gz VYOROJSZCMDBFJ-UHFFFAOYSA-N 1 0 322.355 4.417 20 30 DIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CCC(C)(C)C#N ZINC000538512471 340830319 /nfs/dbraw/zinc/83/03/19/340830319.db2.gz RJKYQFTVMCSELM-INIZCTEOSA-N 1 0 306.425 4.149 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000539204058 340876304 /nfs/dbraw/zinc/87/63/04/340876304.db2.gz YPRJAIQQBFHTRC-FQEVSTJZSA-N 1 0 316.464 4.297 20 30 DIEDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]CCCSCC#N)cc1 ZINC000539308185 340880344 /nfs/dbraw/zinc/88/03/44/340880344.db2.gz IVVFYOFALYHAEL-UHFFFAOYSA-N 1 0 304.503 4.456 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000539493407 340887106 /nfs/dbraw/zinc/88/71/06/340887106.db2.gz NIRWDCKSULSWBO-HXUWFJFHSA-N 1 0 306.409 4.116 20 30 DIEDRO C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1cccc(C#N)c1 ZINC000539496304 340887552 /nfs/dbraw/zinc/88/75/52/340887552.db2.gz KRYUQRHEFRYHDI-CYBMUJFWSA-N 1 0 307.372 4.072 20 30 DIEDRO C[C@@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000539496978 340887567 /nfs/dbraw/zinc/88/75/67/340887567.db2.gz WQTPQDDXROZJKZ-OAHLLOKOSA-N 1 0 308.400 4.371 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539606683 340892154 /nfs/dbraw/zinc/89/21/54/340892154.db2.gz UCQCWRZCRKSWQQ-CRAIPNDOSA-N 1 0 323.415 4.017 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000539830765 340903972 /nfs/dbraw/zinc/90/39/72/340903972.db2.gz GGSTUEYGCHALAC-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000540152115 340917725 /nfs/dbraw/zinc/91/77/25/340917725.db2.gz WFYNATKMNRFUFY-WFASDCNBSA-N 1 0 324.262 4.180 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCOC1 ZINC000540316755 340926547 /nfs/dbraw/zinc/92/65/47/340926547.db2.gz QKLWAGXKZGPANA-TZIWHRDSSA-N 1 0 320.436 4.130 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540342379 340927785 /nfs/dbraw/zinc/92/77/85/340927785.db2.gz BBEPBSYAHIKGBB-UWVGGRQHSA-N 1 0 306.208 4.110 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000540460420 340932146 /nfs/dbraw/zinc/93/21/46/340932146.db2.gz IPZRSZMILMNYCC-YLJYHZDGSA-N 1 0 322.452 4.161 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000540476679 340932891 /nfs/dbraw/zinc/93/28/91/340932891.db2.gz JBHFNEUSGGPPJM-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2cccs2)cc1OC ZINC000540607786 340938490 /nfs/dbraw/zinc/93/84/90/340938490.db2.gz XUHYYQQJVIJKKD-UHFFFAOYSA-N 1 0 317.454 4.346 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000540608289 340938609 /nfs/dbraw/zinc/93/86/09/340938609.db2.gz RCSTWFMNRZUZLX-KBPBESRZSA-N 1 0 300.446 4.312 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccc(C#N)c(F)c1 ZINC000540705148 340942270 /nfs/dbraw/zinc/94/22/70/340942270.db2.gz BFHNSQLFFAOWBA-QWHCGFSZSA-N 1 0 302.418 4.288 20 30 DIEDRO N#CCCCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000069010006 340946525 /nfs/dbraw/zinc/94/65/25/340946525.db2.gz NJXQTGUUNUFUGX-UHFFFAOYSA-N 1 0 307.235 4.112 20 30 DIEDRO N#CCc1ccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000542209992 341000261 /nfs/dbraw/zinc/00/02/61/341000261.db2.gz RGGMPZHQMMTEGM-NRFANRHFSA-N 1 0 302.421 4.405 20 30 DIEDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211926 341000412 /nfs/dbraw/zinc/00/04/12/341000412.db2.gz XPTBFJPOKCHTSD-UHFFFAOYSA-N 1 0 314.816 4.047 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000542276945 341003015 /nfs/dbraw/zinc/00/30/15/341003015.db2.gz FIPWFJWUDBADGJ-YWZLYKJASA-N 1 0 308.400 4.475 20 30 DIEDRO CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000542482934 341009484 /nfs/dbraw/zinc/00/94/84/341009484.db2.gz GQADSDSCZOTFPD-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO Clc1ccccc1C#CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000542512192 341011205 /nfs/dbraw/zinc/01/12/05/341011205.db2.gz NUJGSUAZJMGVNB-QGZVFWFLSA-N 1 0 301.842 4.494 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1 ZINC000130391567 341020577 /nfs/dbraw/zinc/02/05/77/341020577.db2.gz CZKOAADEHQONLP-QGZVFWFLSA-N 1 0 316.351 4.423 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000130393258 341020721 /nfs/dbraw/zinc/02/07/21/341020721.db2.gz RBCQBIBFSGIDRB-HXUWFJFHSA-N 1 0 316.408 4.007 20 30 DIEDRO COc1cc(C)c(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1OC ZINC000130493690 341023025 /nfs/dbraw/zinc/02/30/25/341023025.db2.gz ZCOPRFZJFRNWSY-SFHVURJKSA-N 1 0 324.424 4.147 20 30 DIEDRO CC(C)(C)c1cccc(OCCC[NH+]2CCC(CC#N)CC2)c1 ZINC000542879131 341024917 /nfs/dbraw/zinc/02/49/17/341024917.db2.gz NCHPHCLJUNBEMJ-UHFFFAOYSA-N 1 0 314.473 4.379 20 30 DIEDRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542943262 341026997 /nfs/dbraw/zinc/02/69/97/341026997.db2.gz HAESTLSONLUJRT-HZPDHXFCSA-N 1 0 308.425 4.301 20 30 DIEDRO C[C@H](Cc1ccsc1)[NH2+]CCSCc1ccccc1C#N ZINC000543070808 341030361 /nfs/dbraw/zinc/03/03/61/341030361.db2.gz HPBJAIOUBOHYKL-CQSZACIVSA-N 1 0 316.495 4.074 20 30 DIEDRO CC[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000543139010 341033605 /nfs/dbraw/zinc/03/36/05/341033605.db2.gz JEHRTMYWDIMOKX-INIZCTEOSA-N 1 0 308.425 4.344 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCCC(C)(C)C#N)c1 ZINC000543172997 341035088 /nfs/dbraw/zinc/03/50/88/341035088.db2.gz YKOIUTMLJWJHIE-CRAIPNDOSA-N 1 0 300.446 4.408 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000543172739 341035133 /nfs/dbraw/zinc/03/51/33/341035133.db2.gz LVSKEYFBOYOWOZ-VLIAUNLRSA-N 1 0 324.399 4.289 20 30 DIEDRO N#CCC[N@@H+](CCCc1ccccc1Br)CC1CC1 ZINC000543207901 341036959 /nfs/dbraw/zinc/03/69/59/341036959.db2.gz MDHTZOGKPKIVHL-UHFFFAOYSA-N 1 0 321.262 4.007 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(C)(C)CCC#N)c1 ZINC000543412972 341042777 /nfs/dbraw/zinc/04/27/77/341042777.db2.gz RZDBTWQZCQZEHP-QAPCUYQASA-N 1 0 300.446 4.408 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(C)(C)CCC#N)c1 ZINC000543412970 341042884 /nfs/dbraw/zinc/04/28/84/341042884.db2.gz RZDBTWQZCQZEHP-CRAIPNDOSA-N 1 0 300.446 4.408 20 30 DIEDRO C=CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543413880 341042967 /nfs/dbraw/zinc/04/29/67/341042967.db2.gz CSPHOYQVABXUKH-UHFFFAOYSA-N 1 0 318.420 4.288 20 30 DIEDRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CCCC#N)cc1 ZINC000543428861 341044157 /nfs/dbraw/zinc/04/41/57/341044157.db2.gz HFKFCCBOJCLZPS-QGZVFWFLSA-N 1 0 300.446 4.246 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543632123 341052323 /nfs/dbraw/zinc/05/23/23/341052323.db2.gz MTDNVJRHVUUPPO-DHSIGJKJSA-N 1 0 324.871 4.416 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000543773911 341057978 /nfs/dbraw/zinc/05/79/78/341057978.db2.gz OVFGLFBMNLQEAC-IBGZPJMESA-N 1 0 322.443 4.292 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000543773919 341058020 /nfs/dbraw/zinc/05/80/20/341058020.db2.gz OVFGLFBMNLQEAC-LJQANCHMSA-N 1 0 322.443 4.292 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2cccnc2)c1 ZINC000131176853 341063815 /nfs/dbraw/zinc/06/38/15/341063815.db2.gz WIZFWPABHRYJBR-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2cc(C#N)cs2)c1 ZINC000544367271 341078367 /nfs/dbraw/zinc/07/83/67/341078367.db2.gz UTOGDPKSNQAEQA-FZKQIMNGSA-N 1 0 312.438 4.211 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000544569538 341086138 /nfs/dbraw/zinc/08/61/38/341086138.db2.gz IAYVPQPYVMXIKH-IBGZPJMESA-N 1 0 318.892 4.348 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)CC(F)(F)F)cc1OC ZINC000544840818 341095904 /nfs/dbraw/zinc/09/59/04/341095904.db2.gz DNHGWEXZRSXOLM-CYBMUJFWSA-N 1 0 317.351 4.081 20 30 DIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000544927388 341099694 /nfs/dbraw/zinc/09/96/94/341099694.db2.gz AGLBKYAQYMOOLC-JXFKEZNVSA-N 1 0 311.473 4.208 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000544927391 341099714 /nfs/dbraw/zinc/09/97/14/341099714.db2.gz AGLBKYAQYMOOLC-UZLBHIALSA-N 1 0 311.473 4.208 20 30 DIEDRO CCCC[C@@H](CC)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000545191389 341112646 /nfs/dbraw/zinc/11/26/46/341112646.db2.gz BYJIGCGNRDLSKI-WWDZGPRUSA-N 1 0 315.461 4.202 20 30 DIEDRO C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000545206791 341113910 /nfs/dbraw/zinc/11/39/10/341113910.db2.gz UCQTWEAFHDPAFO-NNGSBXSVSA-N 1 0 324.399 4.096 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccccc3Cl)CC2)s1 ZINC000132201546 341118317 /nfs/dbraw/zinc/11/83/17/341118317.db2.gz SPQROTFBJRXBSN-UHFFFAOYSA-N 1 0 302.830 4.095 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000545272228 341118455 /nfs/dbraw/zinc/11/84/55/341118455.db2.gz CCXOWFUOQJRGCL-SWLSCSKDSA-N 1 0 305.418 4.142 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2(c3ccccc3Cl)CC2)c1 ZINC000132229085 341118981 /nfs/dbraw/zinc/11/89/81/341118981.db2.gz ZVPIDBNPGLUCCA-UHFFFAOYSA-N 1 0 302.830 4.095 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000545315567 341121020 /nfs/dbraw/zinc/12/10/20/341121020.db2.gz TVZAFTPSGRLOSQ-ZWKOTPCHSA-N 1 0 314.473 4.290 20 30 DIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1cccc(C#N)c1 ZINC000074230994 341137126 /nfs/dbraw/zinc/13/71/26/341137126.db2.gz PXODIXFNLCPFGQ-UHFFFAOYSA-N 1 0 302.377 4.010 20 30 DIEDRO C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000545914658 341145872 /nfs/dbraw/zinc/14/58/72/341145872.db2.gz LLKSNQLMEHLDBF-FTXHTYHOSA-N 1 0 324.399 4.096 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(SC2CCCC2)cc1 ZINC000545979314 341149405 /nfs/dbraw/zinc/14/94/05/341149405.db2.gz HMKAYNREHTZUJE-ZBFHGGJFSA-N 1 0 305.487 4.309 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000546685717 341178717 /nfs/dbraw/zinc/17/87/17/341178717.db2.gz OFLFQLGOPYMFCI-GDBMZVCRSA-N 1 0 315.388 4.206 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000546690156 341178882 /nfs/dbraw/zinc/17/88/82/341178882.db2.gz BQCKJDXZGAITEL-UHFFFAOYSA-N 1 0 304.384 4.384 20 30 DIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CNc1ccc(CC#N)cc1 ZINC000546779034 341182246 /nfs/dbraw/zinc/18/22/46/341182246.db2.gz VEZGDIMIKKRHEY-UHFFFAOYSA-N 1 0 321.468 4.323 20 30 DIEDRO CC(C)(C)c1cccc(OCC[NH2+]Cc2cc(C#N)cs2)c1 ZINC000236617335 341189482 /nfs/dbraw/zinc/18/94/82/341189482.db2.gz OVTFBTGFNIWQPB-UHFFFAOYSA-N 1 0 314.454 4.086 20 30 DIEDRO CC(C)(C)c1ccccc1OCC[NH2+]Cc1cc(C#N)cs1 ZINC000236756795 341198401 /nfs/dbraw/zinc/19/84/01/341198401.db2.gz JOWJLORQKDXWLY-UHFFFAOYSA-N 1 0 314.454 4.086 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)o1)c1c(Cl)cccc1Cl ZINC000237360291 341212463 /nfs/dbraw/zinc/21/24/63/341212463.db2.gz OBRFLQCMWCBHJO-JTQLQIEISA-N 1 0 309.196 4.351 20 30 DIEDRO COc1ccc(C2(C[NH2+]Cc3ccc(C#N)o3)CCCCC2)cc1 ZINC000237496075 341214993 /nfs/dbraw/zinc/21/49/93/341214993.db2.gz CJQJJWAWPVWITO-UHFFFAOYSA-N 1 0 324.424 4.152 20 30 DIEDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)cc1C#N ZINC000134985759 341228001 /nfs/dbraw/zinc/22/80/01/341228001.db2.gz WKPCERHPHIPCAQ-LJQANCHMSA-N 1 0 321.424 4.079 20 30 DIEDRO CC[C@@](C)(NCC#Cc1ccccc1Cl)c1nccs1 ZINC000135197729 341233036 /nfs/dbraw/zinc/23/30/36/341233036.db2.gz JDXFNYQMBYESCN-MRXNPFEDSA-N 1 0 304.846 4.063 20 30 DIEDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135285715 341235440 /nfs/dbraw/zinc/23/54/40/341235440.db2.gz OJGIXXPSCFWRAA-UHFFFAOYSA-N 1 0 315.848 4.112 20 30 DIEDRO C=C(C)[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC000547830575 341236244 /nfs/dbraw/zinc/23/62/44/341236244.db2.gz SCIKTAIEYJAQAC-IBGZPJMESA-N 1 0 320.427 4.046 20 30 DIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000547832729 341236464 /nfs/dbraw/zinc/23/64/64/341236464.db2.gz RAOXOGFMIGGXSM-WBVHZDCISA-N 1 0 324.428 4.057 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cc1 ZINC000135667478 341243498 /nfs/dbraw/zinc/24/34/98/341243498.db2.gz OHRRHHPGPUEWCN-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000135680617 341244083 /nfs/dbraw/zinc/24/40/83/341244083.db2.gz YZBHZWAEEQBAAQ-CYBMUJFWSA-N 1 0 300.427 4.258 20 30 DIEDRO C=CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000548198799 341252613 /nfs/dbraw/zinc/25/26/13/341252613.db2.gz ZKTAYEITFMYXKH-KRWDZBQOSA-N 1 0 308.416 4.046 20 30 DIEDRO CC(C)(C[NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000548788423 341275686 /nfs/dbraw/zinc/27/56/86/341275686.db2.gz YVVCAAYQOJTSJV-LBPRGKRZSA-N 1 0 324.255 4.304 20 30 DIEDRO C=C(C)CC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549474044 341295391 /nfs/dbraw/zinc/29/53/91/341295391.db2.gz YGDLUNFIXSHUJO-ZWKOTPCHSA-N 1 0 308.416 4.044 20 30 DIEDRO C=CCOCC[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000549999105 341308435 /nfs/dbraw/zinc/30/84/35/341308435.db2.gz QHOQUAPDQZMWJM-QGZVFWFLSA-N 1 0 311.425 4.119 20 30 DIEDRO N#CC(CC[N@H+]1CCC[C@H]1CF)(c1ccccc1)c1ccccc1 ZINC000550029744 341308928 /nfs/dbraw/zinc/30/89/28/341308928.db2.gz VZTXBRPGYNAHTO-FQEVSTJZSA-N 1 0 322.427 4.320 20 30 DIEDRO N#CCCOCC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000550075350 341309487 /nfs/dbraw/zinc/30/94/87/341309487.db2.gz YNMYRPPDXALBJH-ZWKOTPCHSA-N 1 0 320.864 4.276 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000550320365 341315150 /nfs/dbraw/zinc/31/51/50/341315150.db2.gz QVPUTCWFCQZZKD-UXHICEINSA-N 1 0 324.399 4.117 20 30 DIEDRO C[C@@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C[C@H]1c1ccccc1 ZINC000550858655 341324802 /nfs/dbraw/zinc/32/48/02/341324802.db2.gz FMAJTLWNMMKENY-HBMCJLEFSA-N 1 0 302.421 4.329 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCc3c(F)cccc3Cl)CC2)c1 ZINC000551410793 341340872 /nfs/dbraw/zinc/34/08/72/341340872.db2.gz DWICLGWLJOMNFD-UHFFFAOYSA-N 1 0 314.791 4.172 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2c(s1)CCC2 ZINC000551557728 341345268 /nfs/dbraw/zinc/34/52/68/341345268.db2.gz HHVPPAIEDISAPE-CYBMUJFWSA-N 1 0 308.450 4.448 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551577126 341346193 /nfs/dbraw/zinc/34/61/93/341346193.db2.gz SZACPFVRJYBXEF-UHFFFAOYSA-N 1 0 306.409 4.124 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCC2 ZINC000551813246 341352700 /nfs/dbraw/zinc/35/27/00/341352700.db2.gz PPINNRMLVSKXII-OAHLLOKOSA-N 1 0 302.421 4.387 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cn(CCCC)nc1C)c1ccco1 ZINC000552062265 341366269 /nfs/dbraw/zinc/36/62/69/341366269.db2.gz RHNZOCDVGYMQNA-QGZVFWFLSA-N 1 0 301.434 4.382 20 30 DIEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000552076299 341367905 /nfs/dbraw/zinc/36/79/05/341367905.db2.gz FWSYAORETROMKX-LPHOPBHVSA-N 1 0 322.456 4.084 20 30 DIEDRO COCCC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000552089566 341368930 /nfs/dbraw/zinc/36/89/30/341368930.db2.gz NTUQVPUWYLCZHK-LESCRADOSA-N 1 0 320.864 4.132 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000552283112 341383976 /nfs/dbraw/zinc/38/39/76/341383976.db2.gz YVIXFOSECXVTCO-SJLPKXTDSA-N 1 0 311.473 4.085 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248715452 341385017 /nfs/dbraw/zinc/38/50/17/341385017.db2.gz BVFWFYKRWOZCDW-AFYVEPGGSA-N 1 0 312.457 4.135 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1Cl)c1ccc2n[nH]cc2c1 ZINC000552339614 341387734 /nfs/dbraw/zinc/38/77/34/341387734.db2.gz AHUKQAZRCJIZLR-VXGBXAGGSA-N 1 0 324.815 4.500 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000552586428 341399837 /nfs/dbraw/zinc/39/98/37/341399837.db2.gz HAFGKANXQKUYOP-SFHVURJKSA-N 1 0 308.400 4.152 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000552756378 341403541 /nfs/dbraw/zinc/40/35/41/341403541.db2.gz HJOYVYZWYYAWHL-HOTGVXAUSA-N 1 0 323.502 4.266 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000090450901 341415895 /nfs/dbraw/zinc/41/58/95/341415895.db2.gz CGZLFHCVKMDXPC-AWEZNQCLSA-N 1 0 316.470 4.362 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C2CCSCC2)cc1 ZINC000091068171 341421844 /nfs/dbraw/zinc/42/18/44/341421844.db2.gz MOLQFLJQHKBYLQ-UHFFFAOYSA-N 1 0 308.450 4.210 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)s1 ZINC000553457680 341429506 /nfs/dbraw/zinc/42/95/06/341429506.db2.gz RPERMCJJOLQPMP-SJORKVTESA-N 1 0 300.402 4.185 20 30 DIEDRO C[C@@H]([NH2+]CCSc1ccccc1F)c1ccc(C#N)cc1 ZINC000554848769 341466535 /nfs/dbraw/zinc/46/65/35/341466535.db2.gz OMAOBOPOUGSLIK-CYBMUJFWSA-N 1 0 300.402 4.140 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000555590375 341486141 /nfs/dbraw/zinc/48/61/41/341486141.db2.gz FLEDDSPRLOITMX-UHFFFAOYSA-N 1 0 320.908 4.496 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000556218143 341497681 /nfs/dbraw/zinc/49/76/81/341497681.db2.gz QDRJXNVNQRMZQZ-INIZCTEOSA-N 1 0 302.418 4.422 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(Sc3ccccc3)CC1)CC2 ZINC000564432910 341501707 /nfs/dbraw/zinc/50/17/07/341501707.db2.gz YMJCKQYUGXXTPL-LJQANCHMSA-N 1 0 320.461 4.460 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000565043773 341515637 /nfs/dbraw/zinc/51/56/37/341515637.db2.gz IDRHRWYEEOOCPI-LJQANCHMSA-N 1 0 321.380 4.016 20 30 DIEDRO COc1cc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)ccn1 ZINC000565218254 341520361 /nfs/dbraw/zinc/52/03/61/341520361.db2.gz MHPHOLXZGVBDRX-MAUKXSAKSA-N 1 0 309.413 4.176 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc(Cl)s2)CC1 ZINC000153039977 341521704 /nfs/dbraw/zinc/52/17/04/341521704.db2.gz MLXAKCVWDKZUSA-CQSZACIVSA-N 1 0 312.910 4.483 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000565509634 341529369 /nfs/dbraw/zinc/52/93/69/341529369.db2.gz PRJIOFYNODVGTO-VFNWGFHPSA-N 1 0 320.436 4.165 20 30 DIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000153350957 341536006 /nfs/dbraw/zinc/53/60/06/341536006.db2.gz BXEYCFIGVCRMJR-AWEZNQCLSA-N 1 0 314.454 4.395 20 30 DIEDRO CC(C)C[C@H](CNc1cnccc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000565865353 341540645 /nfs/dbraw/zinc/54/06/45/341540645.db2.gz LWTMCGAMNZPDFK-QFBILLFUSA-N 1 0 322.456 4.131 20 30 DIEDRO Cc1ccc(C)c(OC2CC[NH+](CCC(C)(C)C#N)CC2)c1 ZINC000157784698 341645475 /nfs/dbraw/zinc/64/54/75/341645475.db2.gz KSUPRAICXBEZPH-UHFFFAOYSA-N 1 0 300.446 4.087 20 30 DIEDRO CC[C@]1(C[NH2+][C@H](C)c2ccc(C#N)cc2)OCCc2ccccc21 ZINC000568807395 341682311 /nfs/dbraw/zinc/68/23/11/341682311.db2.gz PYPZNWNKYACZQK-IIBYNOLFSA-N 1 0 320.436 4.087 20 30 DIEDRO Cc1ccccc1CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000573885359 341742232 /nfs/dbraw/zinc/74/22/32/341742232.db2.gz JYSREWCMODIJBI-UHFFFAOYSA-N 1 0 318.342 4.218 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000574313579 341754921 /nfs/dbraw/zinc/75/49/21/341754921.db2.gz RVOXPYGPFSNCCG-HXUWFJFHSA-N 1 0 323.484 4.175 20 30 DIEDRO CCO[C@H](CC[NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000575910744 341814102 /nfs/dbraw/zinc/81/41/02/341814102.db2.gz FIGJVOLEADIEQM-WOJBJXKFSA-N 1 0 312.457 4.121 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000174104343 341823734 /nfs/dbraw/zinc/82/37/34/341823734.db2.gz AAMMATFIQJIVKB-HNAYVOBHSA-N 1 0 323.415 4.017 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000576077684 341824544 /nfs/dbraw/zinc/82/45/44/341824544.db2.gz ZGZASTPBOVMWHX-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000576416348 341845443 /nfs/dbraw/zinc/84/54/43/341845443.db2.gz RVJMOIBJBJDYTQ-UHFFFAOYSA-N 1 0 300.789 4.383 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000175978389 341854735 /nfs/dbraw/zinc/85/47/35/341854735.db2.gz XCYQOOYWLDULBM-DIFFPNOSSA-N 1 0 300.402 4.172 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000175978180 341854781 /nfs/dbraw/zinc/85/47/81/341854781.db2.gz QUPPMICMHOIEJX-DIFFPNOSSA-N 1 0 300.402 4.172 20 30 DIEDRO CCC(C)(C)[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000576825762 341865167 /nfs/dbraw/zinc/86/51/67/341865167.db2.gz SPYYCSYCXHZMIH-OOHWJJMZSA-N 1 0 315.461 4.058 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCSc2ccc(F)cc2)s1 ZINC000176941457 341905596 /nfs/dbraw/zinc/90/55/96/341905596.db2.gz VWQXOOONIBWUFA-UHFFFAOYSA-N 1 0 306.431 4.031 20 30 DIEDRO CC[C@H](C[NH2+]CC(C)(C)CCC#N)Oc1ccccc1Cl ZINC000176991148 341909823 /nfs/dbraw/zinc/90/98/23/341909823.db2.gz XIKFSUKIJUYZQA-CQSZACIVSA-N 1 0 308.853 4.417 20 30 DIEDRO CC[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000577464838 341910957 /nfs/dbraw/zinc/91/09/57/341910957.db2.gz JCEYDWGDRBLIEJ-APWZRJJASA-N 1 0 311.473 4.085 20 30 DIEDRO CC[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000577464843 341911020 /nfs/dbraw/zinc/91/10/20/341911020.db2.gz JCEYDWGDRBLIEJ-QFBILLFUSA-N 1 0 311.473 4.085 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1cccc(C#N)c1 ZINC000178749241 341963589 /nfs/dbraw/zinc/96/35/89/341963589.db2.gz CFSWPMJKAITPCU-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccco1 ZINC000556873418 517328643 /nfs/dbraw/zinc/32/86/43/517328643.db2.gz XJZJALZTDCYFEE-IBGZPJMESA-N 1 0 321.424 4.305 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cc(C)ccc1OC ZINC000353642005 517826369 /nfs/dbraw/zinc/82/63/69/517826369.db2.gz KIYMSAUKTSKWRN-SFHVURJKSA-N 1 0 324.424 4.125 20 30 DIEDRO CC(C)c1nc(C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)no1 ZINC000265579071 519860756 /nfs/dbraw/zinc/86/07/56/519860756.db2.gz XWPCUHLRGXNZMI-AWEZNQCLSA-N 1 0 324.428 4.005 20 30 DIEDRO CCCC[NH+](CCCC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173460923 520495983 /nfs/dbraw/zinc/49/59/83/520495983.db2.gz WJYCSWODTGOWAF-UHFFFAOYSA-N 1 0 312.417 4.010 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000181270492 521612621 /nfs/dbraw/zinc/61/26/21/521612621.db2.gz DMPTWRFWMAQZEA-JVPBZIDWSA-N 1 0 300.446 4.193 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000182741839 522034663 /nfs/dbraw/zinc/03/46/63/522034663.db2.gz YOWUJDVEWZEKCB-LBPRGKRZSA-N 1 0 300.427 4.096 20 30 DIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)s1)CCC2 ZINC000180031593 522478758 /nfs/dbraw/zinc/47/87/58/522478758.db2.gz ASOQUVAXJUOXQA-CQSZACIVSA-N 1 0 317.483 4.148 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000153721075 522738050 /nfs/dbraw/zinc/73/80/50/522738050.db2.gz YUKSZOKUGRQIRO-ACJLOTCBSA-N 1 0 309.369 4.268 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1OC(F)F)c1ccc(C#N)cc1 ZINC000337562370 522751036 /nfs/dbraw/zinc/75/10/36/522751036.db2.gz WKBAXFSTGUUCQV-HRCADAONSA-N 1 0 308.372 4.149 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(F)c(OC)cc21)c1ccc(C#N)cc1 ZINC000338015266 522927308 /nfs/dbraw/zinc/92/73/08/522927308.db2.gz HSVRZYILLQDRQL-RTBURBONSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cccc(C#N)c1 ZINC000182050063 525497759 /nfs/dbraw/zinc/49/77/59/525497759.db2.gz PUXFRDUHWPMZDN-OXQOHEQNSA-N 1 0 322.452 4.011 20 30 DIEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191212954 525501557 /nfs/dbraw/zinc/50/15/57/525501557.db2.gz NATCBFHYKFBTPV-NXOUGTEYSA-N 1 0 313.832 4.037 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccc(C#N)cc1 ZINC000266186457 525527971 /nfs/dbraw/zinc/52/79/71/525527971.db2.gz HKLOVPLAIRDTQU-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1 ZINC000182072199 525543296 /nfs/dbraw/zinc/54/32/96/525543296.db2.gz ODGGWVZWTXHPOP-MDKPJZGXSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000158189493 525574342 /nfs/dbraw/zinc/57/43/42/525574342.db2.gz UXDJNHNZXMCNJZ-QMIHWGKISA-N 1 0 324.399 4.268 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000178643271 525626933 /nfs/dbraw/zinc/62/69/33/525626933.db2.gz LZIPPUJKBGKCLY-SJCJKPOMSA-N 1 0 312.800 4.386 20 30 DIEDRO COc1ccc2oc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3)c(C)c2c1 ZINC000237319254 525689294 /nfs/dbraw/zinc/68/92/94/525689294.db2.gz WIDIRLUEUNIXQM-CQSZACIVSA-N 1 0 320.392 4.472 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000186994415 526072925 /nfs/dbraw/zinc/07/29/25/526072925.db2.gz CTQDCTNCVIFMCE-MRXNPFEDSA-N 1 0 318.420 4.214 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)s1 ZINC000267174692 526623234 /nfs/dbraw/zinc/62/32/34/526623234.db2.gz IXKLNPADPQRHJM-UHFFFAOYSA-N 1 0 312.438 4.231 20 30 DIEDRO Cn1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1C#N ZINC000190899671 527220654 /nfs/dbraw/zinc/22/06/54/527220654.db2.gz ZIIJGQRTFQZNOE-LJQANCHMSA-N 1 0 311.404 4.057 20 30 DIEDRO CCSc1cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)ccn1 ZINC000275093176 535732013 /nfs/dbraw/zinc/73/20/13/535732013.db2.gz AAUASNLKUCLBFN-LBPRGKRZSA-N 1 0 315.417 4.055 20 30 DIEDRO N#CCC1CCC([NH2+]CCc2ccccc2Br)CC1 ZINC001173326150 1051692023 /nfs/dbraw/zinc/69/20/23/1051692023.db2.gz SZOCFYQNZKGFTH-UHFFFAOYSA-N 1 0 321.262 4.054 20 30 DIEDRO C=C(C)CC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001618083651 1056921227 /nfs/dbraw/zinc/92/12/27/1056921227.db2.gz AMSVIBWOJUNKLL-OAHLLOKOSA-N 1 0 308.263 4.280 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2cncc(Br)c2)CCCC1(C)C ZINC001307728870 1065588280 /nfs/dbraw/zinc/58/82/80/1065588280.db2.gz GICIPWYIVBUGQE-OAHLLOKOSA-N 1 0 323.278 4.411 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001207899559 1035516233 /nfs/dbraw/zinc/51/62/33/1035516233.db2.gz FYAWMLQFUSOZLS-UHFFFAOYSA-N 1 0 306.494 4.038 20 30 DIEDRO CN(C)/C=[NH+]/c1ccc(NCc2ccccc2C2CC2)cc1C#N ZINC001167052096 1035589550 /nfs/dbraw/zinc/58/95/50/1035589550.db2.gz JCFZSWRJJLHYLI-OEAKJJBVSA-N 1 0 318.424 4.269 20 30 DIEDRO C=CC[N@@H+](CCCc1cccc(OC)c1)Cc1cccs1 ZINC000607725597 1035698101 /nfs/dbraw/zinc/69/81/01/1035698101.db2.gz SARXYQLMROZMFT-UHFFFAOYSA-N 1 0 301.455 4.378 20 30 DIEDRO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000610216131 1035752637 /nfs/dbraw/zinc/75/26/37/1035752637.db2.gz OBYRMRIBEWSKFU-UWJYYQICSA-N 1 0 320.436 4.063 20 30 DIEDRO N#Cc1ccc(OCC[N@H+](Cc2ccoc2)C2CCCCC2)cc1 ZINC000610215451 1035754854 /nfs/dbraw/zinc/75/48/54/1035754854.db2.gz VMVRQKAZQVPWFG-UHFFFAOYSA-N 1 0 324.424 4.365 20 30 DIEDRO N#Cc1ccccc1OCC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000610215340 1035755963 /nfs/dbraw/zinc/75/59/63/1035755963.db2.gz DJSYYDZMFHSETH-UHFFFAOYSA-N 1 0 324.424 4.365 20 30 DIEDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)CCC#N ZINC000154467801 1035899761 /nfs/dbraw/zinc/89/97/61/1035899761.db2.gz MQVSLMCPXCHUMS-UHFFFAOYSA-N 1 0 303.406 4.135 20 30 DIEDRO C=CCN(Cc1cnn(C(C)C)c1)Cc1ccc(Cl)s1 ZINC000179694901 1035926703 /nfs/dbraw/zinc/92/67/03/1035926703.db2.gz OKQIABJFYYBBCN-UHFFFAOYSA-N 1 0 309.866 4.367 20 30 DIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCc2ccc(C#N)cc2)cc1 ZINC001208926010 1035945388 /nfs/dbraw/zinc/94/53/88/1035945388.db2.gz DSBPYSCIUSCUMB-NRFANRHFSA-N 1 0 320.436 4.337 20 30 DIEDRO CC[N@H+](CCc1c(F)cccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC001167130105 1036158819 /nfs/dbraw/zinc/15/88/19/1036158819.db2.gz DTGIENOIYNGTLX-CQSZACIVSA-N 1 0 314.379 4.462 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(COc2cccnc2)CC1 ZINC001209430785 1036169009 /nfs/dbraw/zinc/16/90/09/1036169009.db2.gz CPXUAHDTAIJQDB-UHFFFAOYSA-N 1 0 302.462 4.309 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001209437949 1036177862 /nfs/dbraw/zinc/17/78/62/1036177862.db2.gz ABACMLICMALZSY-GJZGRUSLSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001209438667 1036178591 /nfs/dbraw/zinc/17/85/91/1036178591.db2.gz RPBGBLGSJNZATQ-UHFFFAOYSA-N 1 0 301.421 4.403 20 30 DIEDRO C=CCCCCCC[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001209440393 1036185251 /nfs/dbraw/zinc/18/52/51/1036185251.db2.gz JMMDGKHCGMIKCA-KRWDZBQOSA-N 1 0 324.509 4.312 20 30 DIEDRO C=CCCCCCC[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001209441051 1036185267 /nfs/dbraw/zinc/18/52/67/1036185267.db2.gz SIOBMZKQUOMAFL-AWEZNQCLSA-N 1 0 301.356 4.479 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(Oc2nccc(C)n2)CC1 ZINC001209442494 1036188299 /nfs/dbraw/zinc/18/82/99/1036188299.db2.gz UEIPYGPOTCGRFL-UHFFFAOYSA-N 1 0 317.477 4.155 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCC[C@]2(CCN(CC=C)C2=O)C1 ZINC001209442096 1036188966 /nfs/dbraw/zinc/18/89/66/1036188966.db2.gz TYJCLPNUJIBPIX-FQEVSTJZSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(c2noc(CC)n2)CC1 ZINC001209442443 1036189059 /nfs/dbraw/zinc/18/90/59/1036189059.db2.gz SHTOWMOXJPLDOB-UHFFFAOYSA-N 1 0 305.466 4.338 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001209441997 1036189134 /nfs/dbraw/zinc/18/91/34/1036189134.db2.gz MHKVISHFXOGVGC-UHFFFAOYSA-N 1 0 308.510 4.092 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 ZINC001167164076 1036232143 /nfs/dbraw/zinc/23/21/43/1036232143.db2.gz NFTQSVIPWUVWIO-NRFANRHFSA-N 1 0 304.437 4.328 20 30 DIEDRO CCC[N@H+](C[C@H](O)c1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC001167219015 1036281842 /nfs/dbraw/zinc/28/18/42/1036281842.db2.gz UXISYFOLADONTI-RTWAWAEBSA-N 1 0 322.452 4.455 20 30 DIEDRO C=C(CC)C[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001167241338 1036310104 /nfs/dbraw/zinc/31/01/04/1036310104.db2.gz YGLUVVCUFSLDEX-QGZVFWFLSA-N 1 0 322.493 4.064 20 30 DIEDRO C=C(CC)C[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001167241337 1036310492 /nfs/dbraw/zinc/31/04/92/1036310492.db2.gz YGLUVVCUFSLDEX-KRWDZBQOSA-N 1 0 322.493 4.064 20 30 DIEDRO C[C@H](C1CC1)[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001167261826 1036343522 /nfs/dbraw/zinc/34/35/22/1036343522.db2.gz MDSWVVRIJGLJHP-CYBMUJFWSA-N 1 0 323.358 4.200 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC001167267645 1036351310 /nfs/dbraw/zinc/35/13/10/1036351310.db2.gz GYZMYZPNZHDPID-LJQANCHMSA-N 1 0 316.489 4.300 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCCC)cc2)C1 ZINC001648802311 1036373075 /nfs/dbraw/zinc/37/30/75/1036373075.db2.gz GARIXWYQYAPAOT-QFBILLFUSA-N 1 0 314.473 4.051 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000610271201 1036394841 /nfs/dbraw/zinc/39/48/41/1036394841.db2.gz KBMKUNYXWNGIDJ-PZJWPPBQSA-N 1 0 320.436 4.090 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCSc2ccc(Cl)cc2)s1 ZINC000176942725 1036519443 /nfs/dbraw/zinc/51/94/43/1036519443.db2.gz OUEUWFCIRDYFEF-UHFFFAOYSA-N 1 0 308.859 4.155 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(C#N)c(F)c1 ZINC000134965849 1036645506 /nfs/dbraw/zinc/64/55/06/1036645506.db2.gz QCQSUUWZVWJGEV-MEDUHNTESA-N 1 0 300.402 4.487 20 30 DIEDRO C[C@@H](C[N@@H+]1CCCN(c2ccccc2C#N)CC1)CC(C)(C)C ZINC001167318375 1036679636 /nfs/dbraw/zinc/67/96/36/1036679636.db2.gz JQUSDSIAJPQXHR-QGZVFWFLSA-N 1 0 313.489 4.143 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ccc1OC(C)C ZINC000610345179 1036838389 /nfs/dbraw/zinc/83/83/89/1036838389.db2.gz XAXIYDNMGXWXMO-OAHLLOKOSA-N 1 0 324.424 4.205 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc2cnccc2c1 ZINC000683768859 1036874075 /nfs/dbraw/zinc/87/40/75/1036874075.db2.gz NUMDSLJDAYTYBE-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000177692229 1036884092 /nfs/dbraw/zinc/88/40/92/1036884092.db2.gz HUPNBLSABBZVSV-NSHDSACASA-N 1 0 324.371 4.359 20 30 DIEDRO COc1ccc(C2([NH2+]Cc3cc(C#N)cs3)CCCC2)cc1 ZINC000177702452 1036914162 /nfs/dbraw/zinc/91/41/62/1036914162.db2.gz WYQSPQDWCILHNS-UHFFFAOYSA-N 1 0 312.438 4.187 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cccc(Br)c1 ZINC000087608528 1036953891 /nfs/dbraw/zinc/95/38/91/1036953891.db2.gz TUUQKXRCRFOEJE-UHFFFAOYSA-N 1 0 309.251 4.211 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)cc1C#N ZINC001167367416 1036992281 /nfs/dbraw/zinc/99/22/81/1036992281.db2.gz JRSQWOGVMDRSDX-NRFANRHFSA-N 1 0 304.437 4.420 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)cc1C#N ZINC001167367417 1036993284 /nfs/dbraw/zinc/99/32/84/1036993284.db2.gz JRSQWOGVMDRSDX-OAQYLSRUSA-N 1 0 304.437 4.420 20 30 DIEDRO CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000124897890 1037053469 /nfs/dbraw/zinc/05/34/69/1037053469.db2.gz BONPVZNVWIFWDF-ZDUSSCGKSA-N 1 0 314.429 4.411 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cccc(Br)c1Cl)C(C)(C)C ZINC000706557305 1037085841 /nfs/dbraw/zinc/08/58/41/1037085841.db2.gz BFLVVGOAHLNLOR-LBPRGKRZSA-N 1 0 314.654 4.240 20 30 DIEDRO Cc1cc(CN2CCC(C#N)(c3ccccc3F)CC2)oc1C ZINC001204541871 1037181066 /nfs/dbraw/zinc/18/10/66/1037181066.db2.gz PUDOBSFPHAOMIG-UHFFFAOYSA-N 1 0 312.388 4.093 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000610447703 1037207750 /nfs/dbraw/zinc/20/77/50/1037207750.db2.gz APBJTWYXVXAXJE-OALUTQOASA-N 1 0 314.473 4.416 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](CC)C2CC2)cc1OC ZINC001203155694 1037255583 /nfs/dbraw/zinc/25/55/83/1037255583.db2.gz DJWTZNGEBXVGSX-OAHLLOKOSA-N 1 0 309.837 4.192 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC001203155710 1037257482 /nfs/dbraw/zinc/25/74/82/1037257482.db2.gz FAFVLHQRPRWVOH-MRXNPFEDSA-N 1 0 300.446 4.080 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000580907104 1037348806 /nfs/dbraw/zinc/34/88/06/1037348806.db2.gz CCEJJDHXHRONFI-UHFFFAOYSA-N 1 0 300.446 4.428 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665822 1037383101 /nfs/dbraw/zinc/38/31/01/1037383101.db2.gz MFCBNMXRCHNAJY-RBUKOAKNSA-N 1 0 306.409 4.317 20 30 DIEDRO CC(C)c1ccc([C@H]2CCCN2Cc2nc(C#N)cs2)cc1 ZINC000581183786 1037465560 /nfs/dbraw/zinc/46/55/60/1037465560.db2.gz QYHPCYRSHBQWFG-QGZVFWFLSA-N 1 0 311.454 4.475 20 30 DIEDRO CC[C@H]1CCC[C@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000581263037 1037506246 /nfs/dbraw/zinc/50/62/46/1037506246.db2.gz XTKUWJRDVQKRNT-ROUUACIJSA-N 1 0 311.473 4.155 20 30 DIEDRO Cc1csc(C[C@H]2CC[N@H+](CCCCC3(C#N)CCC3)C2)n1 ZINC000933127131 1037513449 /nfs/dbraw/zinc/51/34/49/1037513449.db2.gz WFJQWXABGKTWSX-MRXNPFEDSA-N 1 0 317.502 4.180 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCS2 ZINC000276096396 1037513925 /nfs/dbraw/zinc/51/39/25/1037513925.db2.gz DSWXIJYQQRSZEK-ACJLOTCBSA-N 1 0 324.449 4.455 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]CC1(c2ccccc2)CCCCCC1 ZINC000558506834 1037579995 /nfs/dbraw/zinc/57/99/95/1037579995.db2.gz PEYQHHBAXBBFTF-SFHVURJKSA-N 1 0 309.457 4.312 20 30 DIEDRO Cc1cccn2c(/C=C\C(=O)c3cc4ccccc4o3)cnc12 ZINC000255303483 1037630516 /nfs/dbraw/zinc/63/05/16/1037630516.db2.gz OPHLVYWSBRYMHN-HJWRWDBZSA-N 1 0 302.333 4.285 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC001167461727 1037635735 /nfs/dbraw/zinc/63/57/35/1037635735.db2.gz QFQYFAPXPBQELG-SFHVURJKSA-N 1 0 302.462 4.390 20 30 DIEDRO COc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C ZINC001167464374 1037657283 /nfs/dbraw/zinc/65/72/83/1037657283.db2.gz KUPBRWNRUIGPQB-PMACEKPBSA-N 1 0 320.436 4.275 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001167464485 1037657522 /nfs/dbraw/zinc/65/75/22/1037657522.db2.gz MQCGVBXOPQPTSD-YLJYHZDGSA-N 1 0 304.437 4.287 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)c1C ZINC001167464688 1037662673 /nfs/dbraw/zinc/66/26/73/1037662673.db2.gz PAZMCMPKVOUZCY-HXUWFJFHSA-N 1 0 320.436 4.391 20 30 DIEDRO Cc1ncc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000090180696 1037750578 /nfs/dbraw/zinc/75/05/78/1037750578.db2.gz MBZNJRVZBPJVSG-NSHDSACASA-N 1 0 324.371 4.173 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC(C)(C)c2ncccc2C)c1 ZINC000581577394 1037750618 /nfs/dbraw/zinc/75/06/18/1037750618.db2.gz CKFOAWRXIRDOBO-UHFFFAOYSA-N 1 0 310.441 4.022 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000610511986 1037765841 /nfs/dbraw/zinc/76/58/41/1037765841.db2.gz NUGSRBNQHZSHEE-INIZCTEOSA-N 1 0 311.473 4.085 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000285462491 1037954137 /nfs/dbraw/zinc/95/41/37/1037954137.db2.gz APSGZSHNIFZHOL-IEBWSBKVSA-N 1 0 312.457 4.170 20 30 DIEDRO C[C@@H](c1nc2ccccc2s1)N(C)Cc1csc(C#N)c1 ZINC000891517268 1038003113 /nfs/dbraw/zinc/00/31/13/1038003113.db2.gz TVPYWMUWUMUDIL-NSHDSACASA-N 1 0 313.451 4.422 20 30 DIEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@@H](C)CCC#N ZINC000602456303 1038005902 /nfs/dbraw/zinc/00/59/02/1038005902.db2.gz WSPWQNZOLXOSSS-HNNXBMFYSA-N 1 0 324.472 4.169 20 30 DIEDRO CO[C@@H](C[NH+]1CCC(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000564916272 1038015566 /nfs/dbraw/zinc/01/55/66/1038015566.db2.gz WOSOBBZMEWTUSG-KRWDZBQOSA-N 1 0 306.837 4.043 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000602498802 1038022262 /nfs/dbraw/zinc/02/22/62/1038022262.db2.gz LCQJNOJBHGMBBR-IAGOWNOFSA-N 1 0 319.518 4.051 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cnn(C(C)(C)C)c1C)c1ccccc1 ZINC000276578949 1038024669 /nfs/dbraw/zinc/02/46/69/1038024669.db2.gz UYWKGTNEIPJHOQ-BEFAXECRSA-N 1 0 309.457 4.362 20 30 DIEDRO CCCCOc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1OC ZINC000602514702 1038025074 /nfs/dbraw/zinc/02/50/74/1038025074.db2.gz LNONNBOFFOUAFZ-UHFFFAOYSA-N 1 0 316.445 4.046 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000602518941 1038025345 /nfs/dbraw/zinc/02/53/45/1038025345.db2.gz ALIWIJHVTYLQPE-CQSZACIVSA-N 1 0 313.376 4.042 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC(C)(C)c1ccccc1 ZINC000602522920 1038028072 /nfs/dbraw/zinc/02/80/72/1038028072.db2.gz VRSNXLXGDWCWLE-KRWDZBQOSA-N 1 0 314.473 4.043 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C1CCC(C#N)CC1 ZINC000602522303 1038028111 /nfs/dbraw/zinc/02/81/11/1038028111.db2.gz UGZGWIOOEQILRB-VEAWUBTESA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCC(C#N)CC1 ZINC000602522302 1038028262 /nfs/dbraw/zinc/02/82/62/1038028262.db2.gz UGZGWIOOEQILRB-FUJMWEONSA-N 1 0 321.262 4.052 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]C2CCC(C#N)CC2)ccc1OC(C)C ZINC000602512246 1038031595 /nfs/dbraw/zinc/03/15/95/1038031595.db2.gz WOJSECZMGCAHFJ-HPUBIQBYSA-N 1 0 316.445 4.215 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000602529279 1038033254 /nfs/dbraw/zinc/03/32/54/1038033254.db2.gz FIBNFMNVTXTFOT-CYBMUJFWSA-N 1 0 310.363 4.266 20 30 DIEDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602529458 1038033817 /nfs/dbraw/zinc/03/38/17/1038033817.db2.gz PMTAKWVZNMWJLR-ZBFHGGJFSA-N 1 0 319.880 4.004 20 30 DIEDRO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1cccc(C#N)n1)C(C)C ZINC000602543806 1038034225 /nfs/dbraw/zinc/03/42/25/1038034225.db2.gz ADFQDASWESNVQQ-LJQANCHMSA-N 1 0 319.408 4.495 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000602526432 1038034604 /nfs/dbraw/zinc/03/46/04/1038034604.db2.gz WTDOIPCVOBCRSY-LRDDRELGSA-N 1 0 308.372 4.195 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602537535 1038034661 /nfs/dbraw/zinc/03/46/61/1038034661.db2.gz DWUJMGVPFLHBIW-UQPPLGOBSA-N 1 0 318.486 4.158 20 30 DIEDRO N#CC1CCC([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 ZINC000602524640 1038034771 /nfs/dbraw/zinc/03/47/71/1038034771.db2.gz ODKMQTNVGVEDTO-MKTAYPAQSA-N 1 0 320.383 4.337 20 30 DIEDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)n2)cc1 ZINC000602540035 1038035192 /nfs/dbraw/zinc/03/51/92/1038035192.db2.gz UXFQYPUFXKMRFB-AWEZNQCLSA-N 1 0 311.454 4.305 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCCCc1ccccc1 ZINC000602532828 1038036409 /nfs/dbraw/zinc/03/64/09/1038036409.db2.gz MHCIKKIQCNNYLS-SFHVURJKSA-N 1 0 314.473 4.088 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602554602 1038037947 /nfs/dbraw/zinc/03/79/47/1038037947.db2.gz BTRLIBLFDIDYLO-MIOCFURKSA-N 1 0 306.837 4.088 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000178176738 1038037799 /nfs/dbraw/zinc/03/77/99/1038037799.db2.gz BAICJVWNHMUQMN-JKSUJKDBSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCCC(C)(C)C#N ZINC000581862662 1038037901 /nfs/dbraw/zinc/03/79/01/1038037901.db2.gz RMRHFBLFCZVFSK-HNNXBMFYSA-N 1 0 319.880 4.180 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000178178002 1038038504 /nfs/dbraw/zinc/03/85/04/1038038504.db2.gz RBBHCXODKZXNQY-CVEARBPZSA-N 1 0 316.408 4.156 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+]C[C@@H](C)CCC#N)c2ccccn2)cc1 ZINC000602551511 1038039806 /nfs/dbraw/zinc/03/98/06/1038039806.db2.gz OVJUUECROPRJHJ-PXNSSMCTSA-N 1 0 307.441 4.203 20 30 DIEDRO Cc1ccc(C[C@@H]([NH2+]C2CCC(C#N)CC2)c2ccccn2)cc1 ZINC000602551495 1038040640 /nfs/dbraw/zinc/04/06/40/1038040640.db2.gz OQRYZRJDZIANMZ-GZNCHQMQSA-N 1 0 319.452 4.346 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)CCC#N ZINC000602568353 1038040981 /nfs/dbraw/zinc/04/09/81/1038040981.db2.gz KJVHOQJOMNBLAO-MRXNPFEDSA-N 1 0 310.445 4.025 20 30 DIEDRO N#CC1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000602567077 1038042168 /nfs/dbraw/zinc/04/21/68/1038042168.db2.gz UCSOYEKOAKCDKD-PPUFBPAQSA-N 1 0 319.246 4.108 20 30 DIEDRO COc1cccc(C2(C[NH2+]C[C@H](C)CCC#N)CCCC2)c1 ZINC000602566973 1038042190 /nfs/dbraw/zinc/04/21/90/1038042190.db2.gz SEZYLQVOYLYVBD-MRXNPFEDSA-N 1 0 300.446 4.036 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000602550583 1038043234 /nfs/dbraw/zinc/04/32/34/1038043234.db2.gz JQUWYLXIOKWAJT-SFHVURJKSA-N 1 0 313.832 4.484 20 30 DIEDRO C[C@@H]([NH2+]CCC[C@@H]1CCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602600127 1038044722 /nfs/dbraw/zinc/04/47/22/1038044722.db2.gz MEYVVXYCPKVYEZ-IIBYNOLFSA-N 1 0 320.436 4.445 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000602645907 1038052179 /nfs/dbraw/zinc/05/21/79/1038052179.db2.gz MCACARPBHOWMFV-XNRPHZJLSA-N 1 0 310.363 4.481 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000602641083 1038053050 /nfs/dbraw/zinc/05/30/50/1038053050.db2.gz QBXHMDKOIRBLJI-AWEZNQCLSA-N 1 0 313.376 4.042 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000602645906 1038054054 /nfs/dbraw/zinc/05/40/54/1038054054.db2.gz MCACARPBHOWMFV-NOLJZWGESA-N 1 0 310.363 4.481 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000602652372 1038054951 /nfs/dbraw/zinc/05/49/51/1038054951.db2.gz XPDZNJSSPMRRES-KSSFIOAISA-N 1 0 306.400 4.488 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)CCC2 ZINC000602664571 1038063616 /nfs/dbraw/zinc/06/36/16/1038063616.db2.gz NHGYYQOHVYZFMK-LPHOPBHVSA-N 1 0 312.457 4.061 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000602687476 1038066659 /nfs/dbraw/zinc/06/66/59/1038066659.db2.gz XGPYDLXWIJEDGJ-GOEBONIOSA-N 1 0 311.816 4.033 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000602690185 1038066744 /nfs/dbraw/zinc/06/67/44/1038066744.db2.gz IXVPXDFBVPICLR-ZDUSSCGKSA-N 1 0 310.363 4.120 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000602690354 1038067117 /nfs/dbraw/zinc/06/71/17/1038067117.db2.gz MMHJWBDLMRTHNS-CYBMUJFWSA-N 1 0 310.363 4.120 20 30 DIEDRO COc1cccc(C)c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000602693055 1038068153 /nfs/dbraw/zinc/06/81/53/1038068153.db2.gz AGEQILBRJCYBDN-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO N#CC1(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCCC1 ZINC000602699126 1038071103 /nfs/dbraw/zinc/07/11/03/1038071103.db2.gz JGAMFBGLRNQARO-QUCCMNQESA-N 1 0 323.484 4.028 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000135323393 1038080300 /nfs/dbraw/zinc/08/03/00/1038080300.db2.gz LVYLMOOCIYKFDB-CRAIPNDOSA-N 1 0 323.415 4.017 20 30 DIEDRO N#CCC1(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000602757469 1038085915 /nfs/dbraw/zinc/08/59/15/1038085915.db2.gz GABTWGWTZCBYEF-INIZCTEOSA-N 1 0 314.479 4.451 20 30 DIEDRO N#CCC1(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC000602787168 1038087251 /nfs/dbraw/zinc/08/72/51/1038087251.db2.gz ZWNKAAQVPGPDQC-CQSZACIVSA-N 1 0 311.454 4.170 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(OCc2ccccn2)c1 ZINC000602802981 1038088748 /nfs/dbraw/zinc/08/87/48/1038088748.db2.gz UBWSEJGIQSQKDN-INIZCTEOSA-N 1 0 321.424 4.005 20 30 DIEDRO N#CCC1(C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000602832604 1038093347 /nfs/dbraw/zinc/09/33/47/1038093347.db2.gz KYLXCLFCFIVFMO-UHFFFAOYSA-N 1 0 311.404 4.180 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)cc1Cl ZINC001232111466 1038094854 /nfs/dbraw/zinc/09/48/54/1038094854.db2.gz HECVGZYAQATNOM-UHFFFAOYSA-N 1 0 310.775 4.223 20 30 DIEDRO Cc1cccc2nc(C3CC[NH+](CC4(CC#N)CC4)CC3)oc21 ZINC000602817669 1038094899 /nfs/dbraw/zinc/09/48/99/1038094899.db2.gz YGKMFCAYILVFIM-UHFFFAOYSA-N 1 0 309.413 4.010 20 30 DIEDRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909721 1038106716 /nfs/dbraw/zinc/10/67/16/1038106716.db2.gz MHJIBXPRFIAVQD-CQSZACIVSA-N 1 0 309.388 4.033 20 30 DIEDRO CCCC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1ccc(C)o1 ZINC000598590589 1038128407 /nfs/dbraw/zinc/12/84/07/1038128407.db2.gz PGJPKWWKCSLZRF-JKSUJKDBSA-N 1 0 306.450 4.052 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](C[C@H](O)CC(C)(C)C#N)CC1CCC1 ZINC000598592550 1038129025 /nfs/dbraw/zinc/12/90/25/1038129025.db2.gz MBMNWAVXAYVQJR-QFBILLFUSA-N 1 0 314.473 4.150 20 30 DIEDRO CCC(CC)([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000598596331 1038129129 /nfs/dbraw/zinc/12/91/29/1038129129.db2.gz OBAHMIXQAJOSNU-INIZCTEOSA-N 1 0 322.880 4.246 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000598619140 1038135380 /nfs/dbraw/zinc/13/53/80/1038135380.db2.gz BLLPENVCLDJMFO-DLBZAZTESA-N 1 0 320.864 4.168 20 30 DIEDRO CC(C)c1[nH+]c(CN[C@@H](C)c2cccc(C#N)c2)c2ccccn21 ZINC000593600804 1038158357 /nfs/dbraw/zinc/15/83/57/1038158357.db2.gz GHJIUECJUKEHJO-HNNXBMFYSA-N 1 0 318.424 4.180 20 30 DIEDRO C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000598966185 1038200698 /nfs/dbraw/zinc/20/06/98/1038200698.db2.gz SUBGJTMVKPEDSO-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO CC(C)Oc1cc(Cl)c(C[NH2+]CCCC#N)cc1Cl ZINC000598972094 1038204389 /nfs/dbraw/zinc/20/43/89/1038204389.db2.gz MSCLWTKSWVVAAM-UHFFFAOYSA-N 1 0 301.217 4.174 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C1 ZINC000599043978 1038223238 /nfs/dbraw/zinc/22/32/38/1038223238.db2.gz QLTLAHDYLPOESC-NDGTYSDOSA-N 1 0 313.832 4.481 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(F)cc1C(F)(F)F ZINC000599046971 1038223444 /nfs/dbraw/zinc/22/34/44/1038223444.db2.gz UZKPWRQVUKXZOW-SNVBAGLBSA-N 1 0 300.299 4.189 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000599056697 1038227527 /nfs/dbraw/zinc/22/75/27/1038227527.db2.gz ZGCMBIILNOCKTO-HNNXBMFYSA-N 1 0 315.486 4.047 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C1 ZINC000599052650 1038230561 /nfs/dbraw/zinc/23/05/61/1038230561.db2.gz QLTLAHDYLPOESC-PPHDSNJXSA-N 1 0 313.832 4.481 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599068193 1038230920 /nfs/dbraw/zinc/23/09/20/1038230920.db2.gz LULYMDLUUZOMOP-PZJWPPBQSA-N 1 0 317.436 4.462 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2c1cccc2F ZINC000341700038 1038234349 /nfs/dbraw/zinc/23/43/49/1038234349.db2.gz SPDPOJVNKRXVLY-UXHICEINSA-N 1 0 306.384 4.352 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341704181 1038236119 /nfs/dbraw/zinc/23/61/19/1038236119.db2.gz DSAHGGFQZXDWEM-VBKZILBWSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000538087575 1038236165 /nfs/dbraw/zinc/23/61/65/1038236165.db2.gz CMSAXFGDQZOOQN-VBQJREDUSA-N 1 0 317.864 4.053 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341704185 1038236849 /nfs/dbraw/zinc/23/68/49/1038236849.db2.gz DSAHGGFQZXDWEM-VLIAUNLRSA-N 1 0 306.409 4.295 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)ccc1C#N ZINC000593674048 1038236995 /nfs/dbraw/zinc/23/69/95/1038236995.db2.gz MIRVCXLHPNLPTB-SFHVURJKSA-N 1 0 324.399 4.398 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC000599093882 1038239973 /nfs/dbraw/zinc/23/99/73/1038239973.db2.gz AWSSPPDTWJPIHV-TZMCWYRMSA-N 1 0 301.821 4.036 20 30 DIEDRO Cc1cccc(C2(CNC(=[NH2+])Nc3ccccn3)CCCCC2)c1 ZINC000170906923 1038259814 /nfs/dbraw/zinc/25/98/14/1038259814.db2.gz AQNRUHYCWQDKMR-UHFFFAOYSA-N 1 0 322.456 4.019 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000341760626 1038263789 /nfs/dbraw/zinc/26/37/89/1038263789.db2.gz MGZLJYDDOKAQFK-DJJJIMSYSA-N 1 0 321.380 4.195 20 30 DIEDRO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341761524 1038264351 /nfs/dbraw/zinc/26/43/51/1038264351.db2.gz PLVORAKKYGBOHS-SJCJKPOMSA-N 1 0 311.454 4.360 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000599353573 1038273239 /nfs/dbraw/zinc/27/32/39/1038273239.db2.gz IZQXBIGMDKYLHE-SFHVURJKSA-N 1 0 309.369 4.016 20 30 DIEDRO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)C1(F)F ZINC000599515881 1038300071 /nfs/dbraw/zinc/30/00/71/1038300071.db2.gz WXONPPQQULMWMI-OKILXGFUSA-N 1 0 306.400 4.211 20 30 DIEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890016 1038312584 /nfs/dbraw/zinc/31/25/84/1038312584.db2.gz KRJPRUYTBMNYMB-IBGZPJMESA-N 1 0 315.420 4.419 20 30 DIEDRO C=CCC1([NH2+]Cc2nc([C@@H](C)SCC)no2)CCCCC1 ZINC000599609156 1038322045 /nfs/dbraw/zinc/32/20/45/1038322045.db2.gz HEJPVOBBZODHLN-CYBMUJFWSA-N 1 0 309.479 4.252 20 30 DIEDRO C=CCC1([NH2+][C@@H](C)CCc2ccc(F)cc2F)CCOCC1 ZINC000668550757 1038329057 /nfs/dbraw/zinc/32/90/57/1038329057.db2.gz FTCNGJZVOWRGDS-AWEZNQCLSA-N 1 0 309.400 4.001 20 30 DIEDRO CCc1ccc(C2CC[NH+](CCCSCC#N)CC2)cc1 ZINC000599668557 1038330613 /nfs/dbraw/zinc/33/06/13/1038330613.db2.gz HDHRLLNODWWKPD-UHFFFAOYSA-N 1 0 302.487 4.075 20 30 DIEDRO COc1ccc([C@H]2CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000599677003 1038333084 /nfs/dbraw/zinc/33/30/84/1038333084.db2.gz GEIZEACPENTTFU-KDOFPFPSSA-N 1 0 324.399 4.256 20 30 DIEDRO COc1ccc([C@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)cc1F ZINC000599679327 1038336329 /nfs/dbraw/zinc/33/63/29/1038336329.db2.gz MYDZEDTZRRRQQJ-INIZCTEOSA-N 1 0 318.436 4.344 20 30 DIEDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1F ZINC000599681735 1038337047 /nfs/dbraw/zinc/33/70/47/1038337047.db2.gz ZRPPIVCOHHNZPW-KBXCAEBGSA-N 1 0 324.399 4.256 20 30 DIEDRO C=C(C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000610805472 1038352760 /nfs/dbraw/zinc/35/27/60/1038352760.db2.gz CISIGLNMZQKVFO-MRXNPFEDSA-N 1 0 310.397 4.219 20 30 DIEDRO C[C@H](Cc1cccs1)[NH2+]CCSCc1ccccc1C#N ZINC000610804889 1038352930 /nfs/dbraw/zinc/35/29/30/1038352930.db2.gz MVFPNMSQVCXREY-CQSZACIVSA-N 1 0 316.495 4.074 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc(C)c1F ZINC000610812448 1038356716 /nfs/dbraw/zinc/35/67/16/1038356716.db2.gz AWBBGJPOSLTEAB-ZDUSSCGKSA-N 1 0 300.352 4.304 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1nc2cccnc2s1)c1ccccc1 ZINC000341929309 1038357536 /nfs/dbraw/zinc/35/75/36/1038357536.db2.gz JIHKCPRLASVVQA-OAHLLOKOSA-N 1 0 309.438 4.488 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc(F)c(F)c(F)c1 ZINC000610829713 1038372238 /nfs/dbraw/zinc/37/22/38/1038372238.db2.gz GHVDJFBBBHSEPU-WDEREUQCSA-N 1 0 304.315 4.387 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000535840868 1038391281 /nfs/dbraw/zinc/39/12/81/1038391281.db2.gz GSVVJUFSXUHLEQ-UHFFFAOYSA-N 1 0 321.449 4.181 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1c(C)cccc1CC ZINC000150891649 1038418280 /nfs/dbraw/zinc/41/82/80/1038418280.db2.gz ARMWCLKFLWHQDA-UHFFFAOYSA-N 1 0 302.462 4.174 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610993980 1038421191 /nfs/dbraw/zinc/42/11/91/1038421191.db2.gz PNVPAIPWKXNTKL-KBPBESRZSA-N 1 0 313.832 4.231 20 30 DIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991907 1038422705 /nfs/dbraw/zinc/42/27/05/1038422705.db2.gz WGBSZCUFGKIVGL-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)ccn1 ZINC000610995580 1038425831 /nfs/dbraw/zinc/42/58/31/1038425831.db2.gz LOLNQUMMPXNFDQ-IBGZPJMESA-N 1 0 319.452 4.188 20 30 DIEDRO C=CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000061799668 1038455646 /nfs/dbraw/zinc/45/56/46/1038455646.db2.gz GXCSMCRRCAELRM-UHFFFAOYSA-N 1 0 303.409 4.157 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000604892989 1038458483 /nfs/dbraw/zinc/45/84/83/1038458483.db2.gz WHDHVTNHMCRTGX-MRXNPFEDSA-N 1 0 309.457 4.279 20 30 DIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Oc1ccccc1F ZINC000538394320 1038467160 /nfs/dbraw/zinc/46/71/60/1038467160.db2.gz VTABUOQUCUFGEG-RHSMWYFYSA-N 1 0 312.388 4.206 20 30 DIEDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000538396717 1038469094 /nfs/dbraw/zinc/46/90/94/1038469094.db2.gz WIOFWEKVMYZEFP-CYBMUJFWSA-N 1 0 314.816 4.114 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000538506705 1038477220 /nfs/dbraw/zinc/47/72/20/1038477220.db2.gz RNDFOBFUFIDPMB-LKWXMQFFSA-N 1 0 324.399 4.301 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768722 1038486408 /nfs/dbraw/zinc/48/64/08/1038486408.db2.gz KPFCPWYPBWWABE-AWEZNQCLSA-N 1 0 312.438 4.162 20 30 DIEDRO CC(C)(C)CCOc1cnccc1C[NH2+]CC(C)(C)CCC#N ZINC000342238301 1038494279 /nfs/dbraw/zinc/49/42/79/1038494279.db2.gz DSACTJKIQWGDFA-UHFFFAOYSA-N 1 0 317.477 4.316 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000605323132 1038506511 /nfs/dbraw/zinc/50/65/11/1038506511.db2.gz INNFHHWHYMUDRV-PKOBYXMFSA-N 1 0 317.473 4.182 20 30 DIEDRO CC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000539087385 1038522059 /nfs/dbraw/zinc/52/20/59/1038522059.db2.gz JOCRWWVTSDVSJJ-AWEZNQCLSA-N 1 0 320.845 4.393 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000605740689 1038551081 /nfs/dbraw/zinc/55/10/81/1038551081.db2.gz NMKUDXMIPKMGNA-UHFFFAOYSA-N 1 0 302.443 4.217 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000391498450 1038589261 /nfs/dbraw/zinc/58/92/61/1038589261.db2.gz UONXDNQBOSCFMV-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)nc1 ZINC000593976722 1038600424 /nfs/dbraw/zinc/60/04/24/1038600424.db2.gz YJROPERSXLDGJC-NJDAHSKKSA-N 1 0 317.436 4.111 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@H]3CCC4(CCCC4)O3)CCC2)cc1 ZINC000594033233 1038623626 /nfs/dbraw/zinc/62/36/26/1038623626.db2.gz LAXDOVIYZFPMGH-GOSISDBHSA-N 1 0 310.441 4.019 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000606902701 1038638639 /nfs/dbraw/zinc/63/86/39/1038638639.db2.gz SIJIPBAZZKAETG-OAHLLOKOSA-N 1 0 322.880 4.195 20 30 DIEDRO Cn1cc(C[NH2+]CC2(C)CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000478248081 1038647176 /nfs/dbraw/zinc/64/71/76/1038647176.db2.gz DVYVJNHQXHLMDO-UHFFFAOYSA-N 1 0 322.456 4.019 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000179417894 1038653946 /nfs/dbraw/zinc/65/39/46/1038653946.db2.gz ZUZWLUSJJKRZCL-QKYXUNIQSA-N 1 0 306.409 4.043 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1cc(C#N)cs1 ZINC000152466299 1038657460 /nfs/dbraw/zinc/65/74/60/1038657460.db2.gz LAMJMMCSRQUAIO-UHFFFAOYSA-N 1 0 311.454 4.136 20 30 DIEDRO Cc1cnc(C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000277588738 1038661526 /nfs/dbraw/zinc/66/15/26/1038661526.db2.gz WNODRBRWMISNCC-CQSZACIVSA-N 1 0 311.454 4.264 20 30 DIEDRO N#Cc1ccc(C[NH2+]C/C=C/c2ccccc2)c(C(F)(F)F)c1 ZINC000562071174 1038684510 /nfs/dbraw/zinc/68/45/10/1038684510.db2.gz WYKTUPCPVVGLMB-QPJJXVBHSA-N 1 0 316.326 4.380 20 30 DIEDRO CCN(Cc1nc(C2CC2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000342670541 1038713245 /nfs/dbraw/zinc/71/32/45/1038713245.db2.gz SKADYBFINQYVQP-CYBMUJFWSA-N 1 0 311.454 4.475 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342711108 1038734198 /nfs/dbraw/zinc/73/41/98/1038734198.db2.gz VDJXKXFYMOCAOJ-IBGZPJMESA-N 1 0 318.424 4.083 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc2cccnc21 ZINC000046518388 1038752518 /nfs/dbraw/zinc/75/25/18/1038752518.db2.gz PBYTVEQLMWSYTE-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO C[C@]1(CCc2ccccc2)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001167598956 1038758501 /nfs/dbraw/zinc/75/85/01/1038758501.db2.gz MPFRSHXAFXLUKH-NRFANRHFSA-N 1 0 304.437 4.403 20 30 DIEDRO Cc1ccc(F)cc1C[NH2+]CCSCc1ccccc1C#N ZINC000480027380 1038759521 /nfs/dbraw/zinc/75/95/21/1038759521.db2.gz UNTPYUYIUKQABF-UHFFFAOYSA-N 1 0 314.429 4.029 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@](C)(CC)c2nc(C)cs2)cc1 ZINC000608060614 1038761136 /nfs/dbraw/zinc/76/11/36/1038761136.db2.gz YMVNUNLCURTCRY-SFHVURJKSA-N 1 0 316.470 4.431 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000657530760 1038764964 /nfs/dbraw/zinc/76/49/64/1038764964.db2.gz SSAWJBXLKGAQEB-QWRGUYRKSA-N 1 0 304.381 4.386 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000657529645 1038766462 /nfs/dbraw/zinc/76/64/62/1038766462.db2.gz YCJGBGUDHPAVNX-FUHWJXTLSA-N 1 0 312.461 4.237 20 30 DIEDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075675552 1038811205 /nfs/dbraw/zinc/81/12/05/1038811205.db2.gz FKDRUEAZOACKTA-MRXNPFEDSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075675551 1038812383 /nfs/dbraw/zinc/81/23/83/1038812383.db2.gz FKDRUEAZOACKTA-INIZCTEOSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135680553 1038918375 /nfs/dbraw/zinc/91/83/75/1038918375.db2.gz RCTKNAIOZNEPLP-CYBMUJFWSA-N 1 0 300.427 4.258 20 30 DIEDRO C=CCC1([NH2+]Cc2c(Cl)oc3ccccc32)CCOCC1 ZINC000657633642 1038930234 /nfs/dbraw/zinc/93/02/34/1038930234.db2.gz UETGHOCERLSUOS-UHFFFAOYSA-N 1 0 305.805 4.301 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CCOCC1 ZINC000657634287 1038932145 /nfs/dbraw/zinc/93/21/45/1038932145.db2.gz GKXLFSQJRRZSDW-UHFFFAOYSA-N 1 0 313.363 4.229 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1C#N ZINC000174347998 1038932243 /nfs/dbraw/zinc/93/22/43/1038932243.db2.gz GJLIOAXIVZWOPK-FQEVSTJZSA-N 1 0 306.409 4.198 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c(F)c1 ZINC000608977272 1038950333 /nfs/dbraw/zinc/95/03/33/1038950333.db2.gz ATYVXEOVUXQEDC-GOSISDBHSA-N 1 0 308.400 4.467 20 30 DIEDRO C=CCOCCC[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000657657817 1038960851 /nfs/dbraw/zinc/96/08/51/1038960851.db2.gz DVVFUEFKWRHLLE-UHFFFAOYSA-N 1 0 311.425 4.045 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCCC1 ZINC000456271985 1039012907 /nfs/dbraw/zinc/01/29/07/1039012907.db2.gz YGTJHRLOATUVAI-GOSISDBHSA-N 1 0 312.457 4.311 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000091596976 1039086403 /nfs/dbraw/zinc/08/64/03/1039086403.db2.gz UIABKIJHUPBMON-OAHLLOKOSA-N 1 0 301.430 4.032 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1cccc(C#N)c1 ZINC000178749229 1039092227 /nfs/dbraw/zinc/09/22/27/1039092227.db2.gz CFSWPMJKAITPCU-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO CCC[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609432667 1039126563 /nfs/dbraw/zinc/12/65/63/1039126563.db2.gz GOFHMKMBJNNGID-INIZCTEOSA-N 1 0 308.425 4.415 20 30 DIEDRO CCCCCCCCCCCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC001127225811 1039133397 /nfs/dbraw/zinc/13/33/97/1039133397.db2.gz ATTKEJKTPDZGTC-QZTJIDSGSA-N 1 0 310.526 4.458 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1F)c1cccc(C#N)c1 ZINC000539500279 1039275322 /nfs/dbraw/zinc/27/53/22/1039275322.db2.gz XUFNWHWGWCLHGB-AWEZNQCLSA-N 1 0 314.429 4.281 20 30 DIEDRO C=CCOc1ccc(C[N@H+](CC)CCC(F)(F)F)cc1OC ZINC000092753788 1039298833 /nfs/dbraw/zinc/29/88/33/1039298833.db2.gz YRHIIFXDVORFPV-UHFFFAOYSA-N 1 0 317.351 4.034 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000152873253 1039317979 /nfs/dbraw/zinc/31/79/79/1039317979.db2.gz PVGNHJGGKUQHDM-UHFFFAOYSA-N 1 0 324.399 4.287 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C/C=C\c2ccccc2)cc1 ZINC000539704393 1039321393 /nfs/dbraw/zinc/32/13/93/1039321393.db2.gz SBGKIEHZIAFHFE-YWEYNIOJSA-N 1 0 315.338 4.360 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(C#N)cc1 ZINC000278253705 1039326429 /nfs/dbraw/zinc/32/64/29/1039326429.db2.gz MWKMUAKYPCLRTH-MOPGFXCFSA-N 1 0 323.440 4.029 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000539818418 1039345479 /nfs/dbraw/zinc/34/54/79/1039345479.db2.gz YMQZJPCJRROIAF-QGZVFWFLSA-N 1 0 323.436 4.250 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000278284452 1039349643 /nfs/dbraw/zinc/34/96/43/1039349643.db2.gz QHZPLGUHBIGCKF-GHTZIAJQSA-N 1 0 319.452 4.125 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000245999775 1039405806 /nfs/dbraw/zinc/40/58/06/1039405806.db2.gz ILROFOISDCEHCZ-GUYCJALGSA-N 1 0 319.495 4.084 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000278354988 1039410638 /nfs/dbraw/zinc/41/06/38/1039410638.db2.gz ZRXQVPSAIMQION-JLTOFOAXSA-N 1 0 321.424 4.319 20 30 DIEDRO CC(C)c1ncc(CN(Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000349921534 1039436782 /nfs/dbraw/zinc/43/67/82/1039436782.db2.gz YKSRJDXIGNFPOT-UHFFFAOYSA-N 1 0 311.454 4.303 20 30 DIEDRO CCc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)o1 ZINC000540170727 1039437005 /nfs/dbraw/zinc/43/70/05/1039437005.db2.gz NJTBVCFMAVXFEZ-CQSZACIVSA-N 1 0 314.454 4.298 20 30 DIEDRO COc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1Cl ZINC000130433002 1039460059 /nfs/dbraw/zinc/46/00/59/1039460059.db2.gz KHKSKTZORIYBHE-QGZVFWFLSA-N 1 0 314.816 4.483 20 30 DIEDRO N#CCC[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000130603559 1039466440 /nfs/dbraw/zinc/46/64/40/1039466440.db2.gz ZCHGLOVLABADKZ-IBGZPJMESA-N 1 0 304.393 4.097 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000540295808 1039470496 /nfs/dbraw/zinc/47/04/96/1039470496.db2.gz DHXZWAHENGPFEK-CQSZACIVSA-N 1 0 306.475 4.024 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000540396348 1039486978 /nfs/dbraw/zinc/48/69/78/1039486978.db2.gz OICMGLLQNKHKII-CJNGLKHVSA-N 1 0 315.379 4.177 20 30 DIEDRO C=C[C@@](C)(CC)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000685222423 1039491200 /nfs/dbraw/zinc/49/12/00/1039491200.db2.gz XOQQPALOLADSKJ-IBGZPJMESA-N 1 0 311.429 4.186 20 30 DIEDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000131789905 1039512110 /nfs/dbraw/zinc/51/21/10/1039512110.db2.gz DSAQXSKHTRWZQY-KRWDZBQOSA-N 1 0 310.445 4.133 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)Nc1ccccc1 ZINC000540595445 1039523408 /nfs/dbraw/zinc/52/34/08/1039523408.db2.gz UHFLAKAFKXAHAP-OXQOHEQNSA-N 1 0 307.441 4.346 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000540595142 1039523866 /nfs/dbraw/zinc/52/38/66/1039523866.db2.gz OBWGOGUNNIXECO-HBGVWJBISA-N 1 0 320.436 4.438 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000540596836 1039524434 /nfs/dbraw/zinc/52/44/34/1039524434.db2.gz JLWRENUOFBAZPJ-MRXNPFEDSA-N 1 0 308.425 4.239 20 30 DIEDRO CC(C)c1ccc(C[N@H+](Cc2ccc(C#N)cn2)C2CC2)cc1 ZINC000583971290 1039531587 /nfs/dbraw/zinc/53/15/87/1039531587.db2.gz AKGOOMUJJXREHU-UHFFFAOYSA-N 1 0 305.425 4.241 20 30 DIEDRO Cc1cc(C)cc(OCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000540707322 1039545940 /nfs/dbraw/zinc/54/59/40/1039545940.db2.gz UJLLRDMEUXAEDC-OAHLLOKOSA-N 1 0 312.388 4.044 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)C1 ZINC000657819855 1039567026 /nfs/dbraw/zinc/56/70/26/1039567026.db2.gz UMGGDRHNJVZFCL-GJZGRUSLSA-N 1 0 312.413 4.185 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000540968636 1039599637 /nfs/dbraw/zinc/59/96/37/1039599637.db2.gz PVDQYPIYQBKQQC-LBPRGKRZSA-N 1 0 319.392 4.198 20 30 DIEDRO Cc1cccc(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000584105977 1039605322 /nfs/dbraw/zinc/60/53/22/1039605322.db2.gz ZNXLXCKBVPOADU-UHFFFAOYSA-N 1 0 318.342 4.218 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000540995201 1039607810 /nfs/dbraw/zinc/60/78/10/1039607810.db2.gz OOTUXVSPYAZBRJ-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]2C ZINC000540995110 1039608002 /nfs/dbraw/zinc/60/80/02/1039608002.db2.gz NPHGEPKSVYXNTK-GJZGRUSLSA-N 1 0 306.409 4.075 20 30 DIEDRO N#CCC1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000541022961 1039610910 /nfs/dbraw/zinc/61/09/10/1039610910.db2.gz JGOKNYREJFQGNM-UHFFFAOYSA-N 1 0 308.425 4.234 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1cccs1)c1ccc(C#N)cc1 ZINC000278641850 1039614901 /nfs/dbraw/zinc/61/49/01/1039614901.db2.gz HOLHQYUUHBLWDT-RRQGHBQHSA-N 1 0 314.454 4.173 20 30 DIEDRO C=C(Br)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000159054394 1039616780 /nfs/dbraw/zinc/61/67/80/1039616780.db2.gz ASOPAZCLGYWXTG-ZDUSSCGKSA-N 1 0 300.627 4.289 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000657830270 1039617299 /nfs/dbraw/zinc/61/72/99/1039617299.db2.gz GLENICQMCPNQRZ-XLIONFOSSA-N 1 0 309.457 4.156 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541085259 1039618611 /nfs/dbraw/zinc/61/86/11/1039618611.db2.gz IATPFQBNPDUWGC-IERDGZPVSA-N 1 0 320.436 4.203 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000278688728 1039647960 /nfs/dbraw/zinc/64/79/60/1039647960.db2.gz KIOIVJHMMWGGMK-QRVBRYPASA-N 1 0 300.446 4.193 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278705229 1039662926 /nfs/dbraw/zinc/66/29/26/1039662926.db2.gz LFKAWILNBCFUIB-NDXORKPFSA-N 1 0 322.452 4.154 20 30 DIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccc(C#N)o1 ZINC000584318642 1039671000 /nfs/dbraw/zinc/67/10/00/1039671000.db2.gz SZHBNRNOWCNCER-LBPRGKRZSA-N 1 0 322.330 4.233 20 30 DIEDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@@H](C)CO1 ZINC000541349759 1039671716 /nfs/dbraw/zinc/67/17/16/1039671716.db2.gz RMUUMOHACDPMNM-UWJYYQICSA-N 1 0 320.436 4.023 20 30 DIEDRO C=C(C)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000541588277 1039714057 /nfs/dbraw/zinc/71/40/57/1039714057.db2.gz CJASVVZCJNSXRN-GOSISDBHSA-N 1 0 309.388 4.082 20 30 DIEDRO COc1ccccc1-c1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC000541919071 1039760991 /nfs/dbraw/zinc/76/09/91/1039760991.db2.gz GLDFGOVTMCZCDQ-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542184505 1039809277 /nfs/dbraw/zinc/80/92/77/1039809277.db2.gz BKCTWAVIQOJOKP-MGPUTAFESA-N 1 0 306.409 4.055 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)[C@H]2CCCC[C@@H]12 ZINC000542184568 1039811771 /nfs/dbraw/zinc/81/17/71/1039811771.db2.gz CMCORCHOIWSIEC-UXPWSPDFSA-N 1 0 312.457 4.380 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271904068 1039881687 /nfs/dbraw/zinc/88/16/87/1039881687.db2.gz WFUKWKYGMWBAML-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271904069 1039881909 /nfs/dbraw/zinc/88/19/09/1039881909.db2.gz WFUKWKYGMWBAML-LIRRHRJNSA-N 1 0 306.409 4.295 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[N@H+](C)CC1(C)C ZINC001127255256 1039892016 /nfs/dbraw/zinc/89/20/16/1039892016.db2.gz IMAHOXQRUGWBHH-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000271919605 1039894991 /nfs/dbraw/zinc/89/49/91/1039894991.db2.gz DGPGFNHXLYXUOJ-DIFFPNOSSA-N 1 0 314.335 4.011 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000271938925 1039906939 /nfs/dbraw/zinc/90/69/39/1039906939.db2.gz KZXMXTWGSFPBTP-ACJLOTCBSA-N 1 0 310.372 4.262 20 30 DIEDRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271948869 1039911373 /nfs/dbraw/zinc/91/13/73/1039911373.db2.gz QVELCTMFLAFEGP-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(C#N)ccc1F ZINC000492308633 1039948047 /nfs/dbraw/zinc/94/80/47/1039948047.db2.gz MRVHQNZVMHLNJI-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000492377877 1039956594 /nfs/dbraw/zinc/95/65/94/1039956594.db2.gz QXMSKBFQKXMBBZ-NSHDSACASA-N 1 0 319.246 4.084 20 30 DIEDRO C[C@H](C1CC1)[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000492377876 1039958516 /nfs/dbraw/zinc/95/85/16/1039958516.db2.gz QXMSKBFQKXMBBZ-LLVKDONJSA-N 1 0 319.246 4.084 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000272047942 1039975961 /nfs/dbraw/zinc/97/59/61/1039975961.db2.gz RGJRAGYQWZEFBZ-CQSZACIVSA-N 1 0 311.404 4.241 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000272047939 1039977741 /nfs/dbraw/zinc/97/77/41/1039977741.db2.gz RGJRAGYQWZEFBZ-AWEZNQCLSA-N 1 0 311.404 4.241 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+]Cc3ccc(C#N)c(C)c3)o2)cs1 ZINC000443954915 1039977846 /nfs/dbraw/zinc/97/78/46/1039977846.db2.gz AWFIYBZSJVHSAR-UHFFFAOYSA-N 1 0 323.421 4.181 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443974361 1039984343 /nfs/dbraw/zinc/98/43/43/1039984343.db2.gz TYTIUMUFNXMSQS-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)ccc1C#N ZINC000443979607 1039992187 /nfs/dbraw/zinc/99/21/87/1039992187.db2.gz PGICFWAABDEGLQ-NHCUHLMSSA-N 1 0 320.436 4.124 20 30 DIEDRO Cc1cc(C[NH2+][C@H](c2ccccc2)c2cccnc2)ccc1C#N ZINC000443978323 1039994581 /nfs/dbraw/zinc/99/45/81/1039994581.db2.gz LKOHFGCCBGGMAJ-OAQYLSRUSA-N 1 0 313.404 4.141 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c(OCC2CC2)c1 ZINC000443985252 1039995813 /nfs/dbraw/zinc/99/58/13/1039995813.db2.gz GQAPUBRPQFDTGX-UHFFFAOYSA-N 1 0 320.436 4.254 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)ccc1C#N ZINC000443988239 1039998986 /nfs/dbraw/zinc/99/89/86/1039998986.db2.gz LOOFGMRQVSQWLB-NHCUHLMSSA-N 1 0 320.436 4.094 20 30 DIEDRO Cc1cc(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)ccc1C#N ZINC000443992683 1040006071 /nfs/dbraw/zinc/00/60/71/1040006071.db2.gz XOOUDGJEMUGTJL-KRWDZBQOSA-N 1 0 321.468 4.086 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H](C)Oc2ccccc2Cl)ccc1C#N ZINC000444000200 1040009408 /nfs/dbraw/zinc/00/94/08/1040009408.db2.gz GCXZCALFPYDUTR-CQSZACIVSA-N 1 0 314.816 4.077 20 30 DIEDRO CCCOc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443997613 1040016552 /nfs/dbraw/zinc/01/65/52/1040016552.db2.gz XMPBSKFHGTZYLF-UHFFFAOYSA-N 1 0 308.425 4.254 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCCSCC#N ZINC000175438359 1040034967 /nfs/dbraw/zinc/03/49/67/1040034967.db2.gz VJQLJSCXKQKZDB-KGLIPLIRSA-N 1 0 310.894 4.411 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000657905440 1040109721 /nfs/dbraw/zinc/10/97/21/1040109721.db2.gz KMDOBEYAUOARNC-RNQOJCNYSA-N 1 0 301.474 4.266 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000657929673 1040182895 /nfs/dbraw/zinc/18/28/95/1040182895.db2.gz UEKRTRLXEQRDNO-ZACQAIPSSA-N 1 0 309.519 4.156 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000657982115 1040246190 /nfs/dbraw/zinc/24/61/90/1040246190.db2.gz UYDRPZJTKCEVBN-YOEHRIQHSA-N 1 0 306.450 4.214 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000658028645 1040266775 /nfs/dbraw/zinc/26/67/75/1040266775.db2.gz KXKSBJAYLYKOBZ-YWTNHNAXSA-N 1 0 300.446 4.026 20 30 DIEDRO CCC[N@@H+]1Cc2cccc(N=Cc3cccc(OCC)c3O)c2C1 ZINC000255630543 1040268612 /nfs/dbraw/zinc/26/86/12/1040268612.db2.gz GOEMNBFKCBCFRC-UHFFFAOYSA-N 1 0 324.424 4.267 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000658041773 1040279114 /nfs/dbraw/zinc/27/91/14/1040279114.db2.gz HOCPDKAMRSXUEG-WZGPROSRSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000658058568 1040280416 /nfs/dbraw/zinc/28/04/16/1040280416.db2.gz CLJTXNZXIOVCQK-LSBZLQRGSA-N 1 0 300.446 4.431 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000658062337 1040283019 /nfs/dbraw/zinc/28/30/19/1040283019.db2.gz YHBFTDYTPINNAG-UMVBOHGHSA-N 1 0 300.402 4.319 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000658061432 1040283250 /nfs/dbraw/zinc/28/32/50/1040283250.db2.gz TWEPLQDKZHQUBA-YXJHDRRASA-N 1 0 312.461 4.132 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000658062386 1040287016 /nfs/dbraw/zinc/28/70/16/1040287016.db2.gz ZILAPCCNFIITTF-KVSKMBFKSA-N 1 0 314.473 4.174 20 30 DIEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000658115849 1040307839 /nfs/dbraw/zinc/30/78/39/1040307839.db2.gz FBMISSCBSRNSPP-VIFPVBQESA-N 1 0 307.287 4.116 20 30 DIEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000658116057 1040309032 /nfs/dbraw/zinc/30/90/32/1040309032.db2.gz GLKMAINHPFHVHG-GOEBONIOSA-N 1 0 307.409 4.000 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)C1CC1 ZINC000658189368 1040348566 /nfs/dbraw/zinc/34/85/66/1040348566.db2.gz ZFOIRVDAROXBPL-SFHVURJKSA-N 1 0 312.413 4.185 20 30 DIEDRO CCOc1cccc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1O ZINC000179463581 1040464633 /nfs/dbraw/zinc/46/46/33/1040464633.db2.gz WVULQZXMCBUFPC-HNNXBMFYSA-N 1 0 324.424 4.246 20 30 DIEDRO CC[N@H+](C[C@H](OC)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000558832466 1040560278 /nfs/dbraw/zinc/56/02/78/1040560278.db2.gz DARWTQGRBOAKAD-JXFKEZNVSA-N 1 0 308.425 4.329 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCNc1ccccc1F ZINC000612422721 1040589888 /nfs/dbraw/zinc/58/98/88/1040589888.db2.gz KNGULYVAMJWNLB-LJQANCHMSA-N 1 0 323.415 4.167 20 30 DIEDRO C=CCN(CCC[NH+](CC)CC)Cc1ccc(Cl)s1 ZINC000570030643 1040613318 /nfs/dbraw/zinc/61/33/18/1040613318.db2.gz ABSUZCBEDIUIMG-UHFFFAOYSA-N 1 0 300.899 4.121 20 30 DIEDRO COC1CCC(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000612574902 1040644116 /nfs/dbraw/zinc/64/41/16/1040644116.db2.gz UJVDBMQCQNBQDU-UPQHMETBSA-N 1 0 312.457 4.121 20 30 DIEDRO Cc1csc([C@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000612574224 1040644531 /nfs/dbraw/zinc/64/45/31/1040644531.db2.gz JYDGYCMHDPSFKM-PXAZEXFGSA-N 1 0 311.454 4.094 20 30 DIEDRO CCCOc1c(Cl)cc(CNCC(C)(C)C#N)cc1OCC ZINC000612585234 1040646610 /nfs/dbraw/zinc/64/66/10/1040646610.db2.gz TVTNIOLEQSFPLL-UHFFFAOYSA-N 1 0 324.852 4.167 20 30 DIEDRO N#Cc1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000177458949 1040674154 /nfs/dbraw/zinc/67/41/54/1040674154.db2.gz IYTKAISYLDFZPE-MOPGFXCFSA-N 1 0 324.424 4.020 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)CC3 ZINC000613255767 1040848759 /nfs/dbraw/zinc/84/87/59/1040848759.db2.gz GQZAGWYWLKTQEV-OWCLPIDISA-N 1 0 307.441 4.006 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000414155158 1040931878 /nfs/dbraw/zinc/93/18/78/1040931878.db2.gz MRTGVMKQMGWWRG-HRAATJIYSA-N 1 0 319.452 4.332 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000414155159 1040932944 /nfs/dbraw/zinc/93/29/44/1040932944.db2.gz MRTGVMKQMGWWRG-IERDGZPVSA-N 1 0 319.452 4.332 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000414163708 1040942346 /nfs/dbraw/zinc/94/23/46/1040942346.db2.gz JCMDNLDKLBXUOA-AWEZNQCLSA-N 1 0 312.335 4.102 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(Oc2ccccc2)cn1 ZINC000414166031 1040944805 /nfs/dbraw/zinc/94/48/05/1040944805.db2.gz MWOOUDRPQDDCTO-OAHLLOKOSA-N 1 0 309.413 4.464 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)nc1C ZINC000414174054 1040955699 /nfs/dbraw/zinc/95/56/99/1040955699.db2.gz XRWVLPDAGMDZJZ-HXUWFJFHSA-N 1 0 305.425 4.127 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)cc(OC(F)(F)F)c1 ZINC001143468277 1041052196 /nfs/dbraw/zinc/05/21/96/1041052196.db2.gz FEBNNFJZYUAZGZ-UHFFFAOYSA-N 1 0 312.335 4.019 20 30 DIEDRO N#Cc1cnccc1C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000828123295 1041073604 /nfs/dbraw/zinc/07/36/04/1041073604.db2.gz UKFQMRDITCNPRB-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000805336087 1041104987 /nfs/dbraw/zinc/10/49/87/1041104987.db2.gz DIPBKQBDLYMJPB-QZTJIDSGSA-N 1 0 308.510 4.212 20 30 DIEDRO C=CC1(CC(=O)NCCC2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001131644150 1041131342 /nfs/dbraw/zinc/13/13/42/1041131342.db2.gz GKSBCRUMXLVFPZ-UHFFFAOYSA-N 1 0 320.521 4.140 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000809580289 1041190564 /nfs/dbraw/zinc/19/05/64/1041190564.db2.gz HNFUCQVNSYRTOS-UHFFFAOYSA-N 1 0 304.437 4.053 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OCCCC)c(OC)c2)cc1 ZINC000809606049 1041191946 /nfs/dbraw/zinc/19/19/46/1041191946.db2.gz SXGVSPLSRUATQY-UHFFFAOYSA-N 1 0 323.436 4.145 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000809606424 1041192781 /nfs/dbraw/zinc/19/27/81/1041192781.db2.gz QUMMMTLOYIUJDW-ZDUSSCGKSA-N 1 0 301.336 4.120 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)cc1 ZINC000809615744 1041196575 /nfs/dbraw/zinc/19/65/75/1041196575.db2.gz CXZNQXPDZPHFHW-UHFFFAOYSA-N 1 0 302.421 4.364 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000809603118 1041201878 /nfs/dbraw/zinc/20/18/78/1041201878.db2.gz AISWZHJMJRKADE-CYBMUJFWSA-N 1 0 301.336 4.120 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)cc1 ZINC000809624100 1041203790 /nfs/dbraw/zinc/20/37/90/1041203790.db2.gz GMLSEHSONWIBGB-UHFFFAOYSA-N 1 0 321.754 4.213 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000809627123 1041207254 /nfs/dbraw/zinc/20/72/54/1041207254.db2.gz OJSWBRJMVAGQRG-CYBMUJFWSA-N 1 0 319.326 4.417 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(C#N)cc1 ZINC000278805623 1041215790 /nfs/dbraw/zinc/21/57/90/1041215790.db2.gz RNVIQLBALVLJPX-GOSISDBHSA-N 1 0 323.440 4.371 20 30 DIEDRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000613540423 1041224042 /nfs/dbraw/zinc/22/40/42/1041224042.db2.gz XRPXONLMVODOOO-QGZVFWFLSA-N 1 0 314.473 4.492 20 30 DIEDRO C#C[C@@H](C)[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000809683964 1041225586 /nfs/dbraw/zinc/22/55/86/1041225586.db2.gz SXARCBWQOJYYNL-CYBMUJFWSA-N 1 0 315.848 4.070 20 30 DIEDRO Cc1ccc(N(C)[C@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)cc1 ZINC000809757741 1041248873 /nfs/dbraw/zinc/24/88/73/1041248873.db2.gz VYIVJENAIDUZHJ-IBGZPJMESA-N 1 0 313.489 4.226 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@H](CC)CCCCCC)C2)C1=O ZINC001170593474 1041290698 /nfs/dbraw/zinc/29/06/98/1041290698.db2.gz RQSXWQSDENPGKN-UYAOXDASSA-N 1 0 320.521 4.236 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)c1 ZINC000806145408 1041303804 /nfs/dbraw/zinc/30/38/04/1041303804.db2.gz BLCBRLVWFQDFOK-NXHRZFHOSA-N 1 0 300.446 4.282 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000189347046 1041306081 /nfs/dbraw/zinc/30/60/81/1041306081.db2.gz VTCQCVULDURXGL-CYBMUJFWSA-N 1 0 316.351 4.353 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129775 1041315494 /nfs/dbraw/zinc/31/54/94/1041315494.db2.gz IAKBFOHLAHDWHS-HZPDHXFCSA-N 1 0 300.446 4.209 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc3sccc3c2)cc1 ZINC000810160023 1041329439 /nfs/dbraw/zinc/32/94/39/1041329439.db2.gz QXWGTVBRZRZXTI-CQSZACIVSA-N 1 0 322.433 4.482 20 30 DIEDRO C=CCCCCCCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000810242895 1041356502 /nfs/dbraw/zinc/35/65/02/1041356502.db2.gz ISUYYHNDEVUEIH-UHFFFAOYSA-N 1 0 307.507 4.228 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001203208269 1041369391 /nfs/dbraw/zinc/36/93/91/1041369391.db2.gz QADMTZQHZLHTMD-KFNAQCHYSA-N 1 0 314.256 4.361 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000613661579 1041411588 /nfs/dbraw/zinc/41/15/88/1041411588.db2.gz WTMUKVLFBGDBET-ONGXEEELSA-N 1 0 302.727 4.141 20 30 DIEDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000341041802 1041449394 /nfs/dbraw/zinc/44/93/94/1041449394.db2.gz OZLYSRPOMDRDQT-IBGZPJMESA-N 1 0 321.424 4.018 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 ZINC000728711528 1041473424 /nfs/dbraw/zinc/47/34/24/1041473424.db2.gz DAGXEGQUQWVJSA-FUHWJXTLSA-N 1 0 308.425 4.261 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1OC ZINC000728712051 1041479267 /nfs/dbraw/zinc/47/92/67/1041479267.db2.gz WQHSPGWUNXCKEG-HNAYVOBHSA-N 1 0 324.424 4.227 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCCC1 ZINC000728715183 1041482585 /nfs/dbraw/zinc/48/25/85/1041482585.db2.gz OAOVLJQVYMNGSU-KXBFYZLASA-N 1 0 300.446 4.426 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCC2)cc1 ZINC000728715214 1041482686 /nfs/dbraw/zinc/48/26/86/1041482686.db2.gz PYLVSFDDIUFKCL-HNNXBMFYSA-N 1 0 324.399 4.286 20 30 DIEDRO C=CCC[N@H+]1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001170633007 1041507332 /nfs/dbraw/zinc/50/73/32/1041507332.db2.gz RVZTYXNTJYLAAZ-LJQANCHMSA-N 1 0 320.908 4.448 20 30 DIEDRO C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415971114 1041509933 /nfs/dbraw/zinc/50/99/33/1041509933.db2.gz JGPOSYXMDALWRZ-UHFFFAOYSA-N 1 0 315.461 4.006 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccn(C(C)C)n1)c1ccc(Cl)cc1 ZINC000811516831 1041530218 /nfs/dbraw/zinc/53/02/18/1041530218.db2.gz VVOZFGHAURDATQ-KDOFPFPSSA-N 1 0 315.848 4.013 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000180560024 1041533784 /nfs/dbraw/zinc/53/37/84/1041533784.db2.gz WOXTZJRRPIRVBI-WOJBJXKFSA-N 1 0 324.399 4.154 20 30 DIEDRO CCCC[NH+](CCCC)CCNc1ccc(CC#N)c(OC)c1 ZINC001167732684 1041540769 /nfs/dbraw/zinc/54/07/69/1041540769.db2.gz AIHVJXQZGHHDCO-UHFFFAOYSA-N 1 0 317.477 4.075 20 30 DIEDRO CC(C)(C)c1ccc(OCC[NH2+]CC(C)(C)CCC#N)cc1 ZINC000236818014 1041549345 /nfs/dbraw/zinc/54/93/45/1041549345.db2.gz HOQVNEJYZOUSEY-UHFFFAOYSA-N 1 0 302.462 4.282 20 30 DIEDRO C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182105185 1041562555 /nfs/dbraw/zinc/56/25/55/1041562555.db2.gz XUTNVDDRZZUKMS-INIZCTEOSA-N 1 0 320.436 4.045 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001125880857 1041572840 /nfs/dbraw/zinc/57/28/40/1041572840.db2.gz NTMJFWCOOUXQSJ-RCCFBDPRSA-N 1 0 310.526 4.362 20 30 DIEDRO CC1(C)CN(Cc2ccc(C#N)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000190192195 1041580481 /nfs/dbraw/zinc/58/04/81/1041580481.db2.gz WQDSHKKKISXJDH-AWEZNQCLSA-N 1 0 314.326 4.108 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1cccc(C#N)c1 ZINC001170666888 1041599829 /nfs/dbraw/zinc/59/98/29/1041599829.db2.gz RIGVKVSODKKNFV-SJCJKPOMSA-N 1 0 312.363 4.045 20 30 DIEDRO N#Cc1csc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000584687748 1041642350 /nfs/dbraw/zinc/64/23/50/1041642350.db2.gz LUECFJVYIXMHSE-GUDVDZBRSA-N 1 0 308.450 4.388 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@](C)(OC)C2CC2)cc1 ZINC000812734616 1041642696 /nfs/dbraw/zinc/64/26/96/1041642696.db2.gz OOTMLWFEXFDMQD-RDTXWAMCSA-N 1 0 323.864 4.284 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417347364 1041662738 /nfs/dbraw/zinc/66/27/38/1041662738.db2.gz HADKLMMQFSSLML-YEWWUXTCSA-N 1 0 313.401 4.034 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCNc2ccccc21 ZINC000417366289 1041665747 /nfs/dbraw/zinc/66/57/47/1041665747.db2.gz NDBQOCZNKMDRLV-LEWJYISDSA-N 1 0 317.436 4.472 20 30 DIEDRO CC(C)[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417375925 1041668240 /nfs/dbraw/zinc/66/82/40/1041668240.db2.gz ZYNSAWROFHAEIP-ICSRJNTNSA-N 1 0 323.415 4.457 20 30 DIEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000728776694 1041678763 /nfs/dbraw/zinc/67/87/63/1041678763.db2.gz SQDHFWAFTODQDB-KBAYOESNSA-N 1 0 300.446 4.282 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000189159683 1041699398 /nfs/dbraw/zinc/69/93/98/1041699398.db2.gz MONWSOJYNGTMMF-WOJBJXKFSA-N 1 0 320.436 4.090 20 30 DIEDRO C[NH+](C)Cc1cc(NCc2ccc(C#N)cc2F)ccc1Cl ZINC000341510025 1041733187 /nfs/dbraw/zinc/73/31/87/1041733187.db2.gz IRBIAXNAVIGIRE-UHFFFAOYSA-N 1 0 317.795 4.024 20 30 DIEDRO CCCCCCCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000813860426 1041738060 /nfs/dbraw/zinc/73/80/60/1041738060.db2.gz QUQBRLYIRRAWST-MRXNPFEDSA-N 1 0 304.478 4.400 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc(OCC#N)cc1 ZINC000813875883 1041741528 /nfs/dbraw/zinc/74/15/28/1041741528.db2.gz RLZCOSBSQAEWFU-CQSZACIVSA-N 1 0 324.399 4.456 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000813879961 1041742396 /nfs/dbraw/zinc/74/23/96/1041742396.db2.gz TWJFPHAGXMOHQJ-JKSUJKDBSA-N 1 0 322.493 4.110 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000566624234 1041750429 /nfs/dbraw/zinc/75/04/29/1041750429.db2.gz PNLOWVJCETUCBY-BBRMVZONSA-N 1 0 308.347 4.342 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2ccccc2)C2CC2)cc1 ZINC000814297281 1041801762 /nfs/dbraw/zinc/80/17/62/1041801762.db2.gz FCISMXACXPVWHO-IIBYNOLFSA-N 1 0 320.436 4.261 20 30 DIEDRO N#Cc1sc(-c2ccc(F)cc2)cc1NC1=CCC[NH2+]CC1 ZINC001159145192 1041819073 /nfs/dbraw/zinc/81/90/73/1041819073.db2.gz YJVPIEDSUXHQQM-UHFFFAOYSA-N 1 0 313.401 4.105 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1(C)C ZINC000759923420 1041840666 /nfs/dbraw/zinc/84/06/66/1041840666.db2.gz QOPCBDIQABHJSF-CYBMUJFWSA-N 1 0 306.837 4.110 20 30 DIEDRO CC[C@H](C)[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047549336 1041841457 /nfs/dbraw/zinc/84/14/57/1041841457.db2.gz JXELVHGGFJABPI-INIZCTEOSA-N 1 0 303.409 4.231 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000814661379 1041845822 /nfs/dbraw/zinc/84/58/22/1041845822.db2.gz YHQCQLSJWHKUSB-FQEVSTJZSA-N 1 0 319.408 4.114 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cnc(Cl)s1)c1ccccc1 ZINC000814659383 1041845850 /nfs/dbraw/zinc/84/58/50/1041845850.db2.gz MRGXNEFIAZIUHN-CQSZACIVSA-N 1 0 305.834 4.321 20 30 DIEDRO CC(N=Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000814796932 1041867054 /nfs/dbraw/zinc/86/70/54/1041867054.db2.gz WXKSKXDIXHBVPH-UHFFFAOYSA-N 1 0 300.233 4.123 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000651723995 1041894934 /nfs/dbraw/zinc/89/49/34/1041894934.db2.gz HONQIRZUNFTFNJ-MNOVXSKESA-N 1 0 304.381 4.039 20 30 DIEDRO CC(=NNc1cccc2cnccc21)c1ccc(C[NH+](C)C)cc1 ZINC000814836231 1041875152 /nfs/dbraw/zinc/87/51/52/1041875152.db2.gz LOEAWJZJKIZNOT-UHFFFAOYSA-N 1 0 318.424 4.133 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C)cc1 ZINC000093149408 1041884416 /nfs/dbraw/zinc/88/44/16/1041884416.db2.gz YCWQFSZKCALWQU-HOTGVXAUSA-N 1 0 306.409 4.097 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421863332 1041887356 /nfs/dbraw/zinc/88/73/56/1041887356.db2.gz XFTVBEUOIDKIMU-PMACEKPBSA-N 1 0 306.453 4.106 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(C)cc2)o1 ZINC000661117357 1041889245 /nfs/dbraw/zinc/88/92/45/1041889245.db2.gz QGYILJFBGMCILE-DOTOQJQBSA-N 1 0 311.429 4.270 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000661118129 1041889790 /nfs/dbraw/zinc/88/97/90/1041889790.db2.gz WVWVDAXIJTUJRS-JSGCOSHPSA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(C)cc2)o1 ZINC000661117360 1041889960 /nfs/dbraw/zinc/88/99/60/1041889960.db2.gz QGYILJFBGMCILE-WBVHZDCISA-N 1 0 311.429 4.270 20 30 DIEDRO CC(C)(C)c1csc(C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000815031973 1041907780 /nfs/dbraw/zinc/90/77/80/1041907780.db2.gz MFSMQYICNSMDPZ-DZGCQCFKSA-N 1 0 317.502 4.312 20 30 DIEDRO C=CCOCC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000815078147 1041911576 /nfs/dbraw/zinc/91/15/76/1041911576.db2.gz PKDLYAQWDOADMB-KRWDZBQOSA-N 1 0 311.425 4.158 20 30 DIEDRO C=CCCCCCCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000810242426 1041929350 /nfs/dbraw/zinc/92/93/50/1041929350.db2.gz BGMVZSMECJTCOA-UHFFFAOYSA-N 1 0 307.400 4.339 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000595620673 1041960085 /nfs/dbraw/zinc/96/00/85/1041960085.db2.gz OKUUQGRVSRZAJD-CQSZACIVSA-N 1 0 321.262 4.007 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000815593862 1041969600 /nfs/dbraw/zinc/96/96/00/1041969600.db2.gz ZLGWJQZWYGOOIN-INIZCTEOSA-N 1 0 305.421 4.427 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000815636127 1041981720 /nfs/dbraw/zinc/98/17/20/1041981720.db2.gz PKEBEFJDMGEVJF-DOTOQJQBSA-N 1 0 316.445 4.429 20 30 DIEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1nc2c(s1)CCCC2 ZINC000093401122 1041983348 /nfs/dbraw/zinc/98/33/48/1041983348.db2.gz MNMXHYHKHWKJDH-QWHCGFSZSA-N 1 0 311.454 4.305 20 30 DIEDRO N#Cc1ccc(C[N@H+](CCCOCc2ccccc2)C2CC2)cc1 ZINC000541628186 1041989891 /nfs/dbraw/zinc/98/98/91/1041989891.db2.gz FCLHJEXWUIERCJ-UHFFFAOYSA-N 1 0 320.436 4.130 20 30 DIEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)C1Cc2ccccc2C1 ZINC000487363416 1041997354 /nfs/dbraw/zinc/99/73/54/1041997354.db2.gz JVHHFGSUWKUXIW-UHFFFAOYSA-N 1 0 304.437 4.087 20 30 DIEDRO C=CCC1([NH2+]CCCc2nc(-c3ccccc3)no2)CCCC1 ZINC000661847687 1042006051 /nfs/dbraw/zinc/00/60/51/1042006051.db2.gz CUZMKILSJMEQTA-UHFFFAOYSA-N 1 0 311.429 4.148 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2sc(C)c(C)c2C)CCCC1 ZINC000661865613 1042009140 /nfs/dbraw/zinc/00/91/40/1042009140.db2.gz RVWOSWPEZBYTCT-UHFFFAOYSA-N 1 0 306.475 4.090 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000662084683 1042059695 /nfs/dbraw/zinc/05/96/95/1042059695.db2.gz VASQUTYMTZRKEK-GASCZTMLSA-N 1 0 315.804 4.073 20 30 DIEDRO C=CCCn1cc(C[N@H+](C(C)C)[C@H](CC)c2ccccc2)nn1 ZINC000662105301 1042065587 /nfs/dbraw/zinc/06/55/87/1042065587.db2.gz OPDFXICSOMXIBK-LJQANCHMSA-N 1 0 312.461 4.216 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1ccc(Cl)cc1F ZINC000816608297 1042072299 /nfs/dbraw/zinc/07/22/99/1042072299.db2.gz VRXQTVFDKJDVMK-XIKOKIGWSA-N 1 0 317.791 4.080 20 30 DIEDRO CC[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000568498803 1042134093 /nfs/dbraw/zinc/13/40/93/1042134093.db2.gz LNWQEAYCOZJRRC-FQEVSTJZSA-N 1 0 323.440 4.062 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1OC ZINC000065275714 1042135553 /nfs/dbraw/zinc/13/55/53/1042135553.db2.gz MEOVFUDYFRKTBV-UHFFFAOYSA-N 1 0 323.436 4.429 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000818230158 1042144938 /nfs/dbraw/zinc/14/49/38/1042144938.db2.gz NJZGXUUDMCOBFM-NWDGAFQWSA-N 1 0 300.349 4.080 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000819210741 1042175386 /nfs/dbraw/zinc/17/53/86/1042175386.db2.gz JLSQSMDFWYQSQK-WFASDCNBSA-N 1 0 301.352 4.073 20 30 DIEDRO C=C(CC(C)C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001136205197 1042177983 /nfs/dbraw/zinc/17/79/83/1042177983.db2.gz QINJKHBBPHOHSW-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000820200955 1042209242 /nfs/dbraw/zinc/20/92/42/1042209242.db2.gz SZVNNVNJKCZCQA-MRXNPFEDSA-N 1 0 308.510 4.116 20 30 DIEDRO CSc1ccc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000821022825 1042238057 /nfs/dbraw/zinc/23/80/57/1042238057.db2.gz VMKMKYFSSRWMQX-XFXZXTDPSA-N 1 0 311.450 4.366 20 30 DIEDRO CC(C)(C#N)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000585767188 1042245237 /nfs/dbraw/zinc/24/52/37/1042245237.db2.gz JSFLGLBJOBKRGX-GJZGRUSLSA-N 1 0 310.363 4.481 20 30 DIEDRO C=CCN1CCC([NH2+]Cc2ccc(-c3ccc(CC)cc3)o2)CC1 ZINC000525802859 1042254943 /nfs/dbraw/zinc/25/49/43/1042254943.db2.gz PIEHMBGCKKJAKF-UHFFFAOYSA-N 1 0 324.468 4.249 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)ccc2OC)C(C)C)cc1 ZINC000182050422 1042264574 /nfs/dbraw/zinc/26/45/74/1042264574.db2.gz KUSFXYDXPFQMHC-FQEVSTJZSA-N 1 0 324.424 4.062 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CCC1 ZINC000931908498 1042283831 /nfs/dbraw/zinc/28/38/31/1042283831.db2.gz ADPDMHFRWJNPRW-CQSZACIVSA-N 1 0 318.358 4.217 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822525424 1042288799 /nfs/dbraw/zinc/28/87/99/1042288799.db2.gz GQODFAGBKFWFMB-CVEARBPZSA-N 1 0 319.408 4.042 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000822592999 1042295164 /nfs/dbraw/zinc/29/51/64/1042295164.db2.gz NYOCPYXHRWDWGE-CQSZACIVSA-N 1 0 309.240 4.107 20 30 DIEDRO C=CCSCC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000319971644 1042299859 /nfs/dbraw/zinc/29/98/59/1042299859.db2.gz LGDGLQZGYNNNGN-IBGZPJMESA-N 1 0 313.466 4.293 20 30 DIEDRO COc1cc(CN(C)[C@H](C)c2ccccc2Cl)ccc1C#N ZINC000319969990 1042300022 /nfs/dbraw/zinc/30/00/22/1042300022.db2.gz QWYHWHPLEIGYHV-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ccc(OCC#N)cc1 ZINC000320010596 1042301973 /nfs/dbraw/zinc/30/19/73/1042301973.db2.gz FBFYMIJGZVNLNL-CHWSQXEVSA-N 1 0 316.351 4.279 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)nc1Cl ZINC000823616632 1042334904 /nfs/dbraw/zinc/33/49/04/1042334904.db2.gz BGYHQSFAURRVPR-LLVKDONJSA-N 1 0 320.223 4.453 20 30 DIEDRO C=C(C)C[NH+]1CCC(NCc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000518798194 1042351252 /nfs/dbraw/zinc/35/12/52/1042351252.db2.gz QWAVVEYKYLBZAE-UHFFFAOYSA-N 1 0 324.468 4.385 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+]C2CCN(C)CC2)cc1 ZINC000236638520 1042370821 /nfs/dbraw/zinc/37/08/21/1042370821.db2.gz YTKDLWNXBPXQSP-UHFFFAOYSA-N 1 0 318.505 4.220 20 30 DIEDRO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000237356943 1042376893 /nfs/dbraw/zinc/37/68/93/1042376893.db2.gz KAHNEVYGXMNSOT-DLBZAZTESA-N 1 0 308.425 4.007 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000534331938 1042404576 /nfs/dbraw/zinc/40/45/76/1042404576.db2.gz UZHZTGBZPCNFGD-FQEVSTJZSA-N 1 0 321.424 4.101 20 30 DIEDRO FC(F)(F)C12CCC([NH2+]CC#Cc3ccccc3)(CC1)CC2 ZINC000894081880 1042406332 /nfs/dbraw/zinc/40/63/32/1042406332.db2.gz HURYHQIRYSGHSL-UHFFFAOYSA-N 1 0 307.359 4.283 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000573695373 1042412791 /nfs/dbraw/zinc/41/27/91/1042412791.db2.gz LWGKDNHTVGXKSN-VQTJNVASSA-N 1 0 305.425 4.111 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(C#N)cc1 ZINC000453223768 1042414569 /nfs/dbraw/zinc/41/45/69/1042414569.db2.gz SQPYZRWWKHIPKN-AEFFLSMTSA-N 1 0 308.450 4.488 20 30 DIEDRO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C1Cc2ccccc2C1 ZINC000614160547 1042418318 /nfs/dbraw/zinc/41/83/18/1042418318.db2.gz BAPOVMBKVOOQMI-UHFFFAOYSA-N 1 0 304.437 4.087 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894102750 1042420284 /nfs/dbraw/zinc/42/02/84/1042420284.db2.gz QCOIZGULFKIKAS-QGZVFWFLSA-N 1 0 316.326 4.412 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178685014 1042420654 /nfs/dbraw/zinc/42/06/54/1042420654.db2.gz NLHXCKFUGSCNHI-GJZGRUSLSA-N 1 0 324.380 4.019 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000614176817 1042423168 /nfs/dbraw/zinc/42/31/68/1042423168.db2.gz LIBKPWXQHUXWAA-UHFFFAOYSA-N 1 0 308.400 4.185 20 30 DIEDRO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614182148 1042423373 /nfs/dbraw/zinc/42/33/73/1042423373.db2.gz HMMIQMQOMTUGIG-MRXNPFEDSA-N 1 0 320.436 4.271 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc(C)cs1 ZINC000614183683 1042425092 /nfs/dbraw/zinc/42/50/92/1042425092.db2.gz BASDQELXXWXXKG-INIZCTEOSA-N 1 0 313.470 4.494 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411366816 1042440830 /nfs/dbraw/zinc/44/08/30/1042440830.db2.gz QFBKWBUACQJCKT-CEXWTWQISA-N 1 0 317.521 4.188 20 30 DIEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614227421 1042440945 /nfs/dbraw/zinc/44/09/45/1042440945.db2.gz RUEVFBHTSAASCF-RBUKOAKNSA-N 1 0 314.473 4.171 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(OC)cc1 ZINC000237014969 1042455952 /nfs/dbraw/zinc/45/59/52/1042455952.db2.gz MFSYJXMVGHFSGG-MGPUTAFESA-N 1 0 324.424 4.227 20 30 DIEDRO CCOCCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CCCC1 ZINC000151024159 1042481538 /nfs/dbraw/zinc/48/15/38/1042481538.db2.gz NFAVKXXGFMMNGE-MRXNPFEDSA-N 1 0 300.446 4.196 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000614380051 1042486735 /nfs/dbraw/zinc/48/67/35/1042486735.db2.gz KXBVMIIPVBHOSJ-UHFFFAOYSA-N 1 0 301.352 4.252 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1C)[C@@H](C)c1cccc(OC)c1 ZINC000614397560 1042490929 /nfs/dbraw/zinc/49/09/29/1042490929.db2.gz DZZOWKHVNXSDHP-INIZCTEOSA-N 1 0 308.425 4.458 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000614397711 1042491105 /nfs/dbraw/zinc/49/11/05/1042491105.db2.gz UBNDOCFQXJKEJP-OAQYLSRUSA-N 1 0 320.436 4.048 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000614400599 1042491542 /nfs/dbraw/zinc/49/15/42/1042491542.db2.gz ATVAHPKKZCWKOU-IBGZPJMESA-N 1 0 308.450 4.157 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000614402109 1042491608 /nfs/dbraw/zinc/49/16/08/1042491608.db2.gz KDDUPTYZFGJWMI-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO Fc1ccc(C#CC[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC001167927612 1042492561 /nfs/dbraw/zinc/49/25/61/1042492561.db2.gz JOGANCKUWSKQMY-FQEVSTJZSA-N 1 0 311.375 4.447 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000151139478 1042500555 /nfs/dbraw/zinc/50/05/55/1042500555.db2.gz BAPBEECINCTKTP-BLVKFPJESA-N 1 0 312.363 4.250 20 30 DIEDRO N#CCOc1ccc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000729268021 1042516825 /nfs/dbraw/zinc/51/68/25/1042516825.db2.gz HISRECZYSAXUCS-OAQYLSRUSA-N 1 0 318.420 4.241 20 30 DIEDRO N#CCOc1ccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000729268020 1042516915 /nfs/dbraw/zinc/51/69/15/1042516915.db2.gz HISRECZYSAXUCS-NRFANRHFSA-N 1 0 318.420 4.241 20 30 DIEDRO Cc1ccc(C[N@H+](Cc2ccc(OCC#N)cc2)C(C)C)s1 ZINC000729268032 1042517091 /nfs/dbraw/zinc/51/70/91/1042517091.db2.gz HUTLIRQVWPNLDP-UHFFFAOYSA-N 1 0 314.454 4.370 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N(C)C1CC[NH+](C)CC1 ZINC000729257826 1042517242 /nfs/dbraw/zinc/51/72/42/1042517242.db2.gz RPBAUHVULQZPKP-OUKQBFOZSA-N 1 0 308.510 4.236 20 30 DIEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000729268254 1042517263 /nfs/dbraw/zinc/51/72/63/1042517263.db2.gz UDFRZOMBNTZHOP-FQEVSTJZSA-N 1 0 306.409 4.235 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000738312446 1042526686 /nfs/dbraw/zinc/52/66/86/1042526686.db2.gz OQMIWGRZTOYNPG-HKUYNNGSSA-N 1 0 320.436 4.275 20 30 DIEDRO N#Cc1ccccc1C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000513402386 1042539535 /nfs/dbraw/zinc/53/95/35/1042539535.db2.gz VQYDJGJHYAQRIJ-SFHVURJKSA-N 1 0 310.828 4.419 20 30 DIEDRO C=CCc1cc(C[N@H+](C)Cc2ccc(C)s2)cc(OC)c1O ZINC000513430496 1042540647 /nfs/dbraw/zinc/54/06/47/1042540647.db2.gz TYFRIBLIPYPMHX-UHFFFAOYSA-N 1 0 317.454 4.131 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000513442438 1042542130 /nfs/dbraw/zinc/54/21/30/1042542130.db2.gz GWAHNTVINHMOHC-FAYHIZQSSA-N 1 0 305.849 4.157 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)s1 ZINC000513509623 1042549101 /nfs/dbraw/zinc/54/91/01/1042549101.db2.gz UMCALEQOOZYPSL-INIZCTEOSA-N 1 0 300.402 4.404 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccco1 ZINC000513703119 1042579780 /nfs/dbraw/zinc/57/97/80/1042579780.db2.gz QNPDAXQMVLIWTE-AWEZNQCLSA-N 1 0 316.470 4.455 20 30 DIEDRO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618806092 1042611807 /nfs/dbraw/zinc/61/18/07/1042611807.db2.gz PLLQEHXEVUYCOQ-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000420935799 1042615340 /nfs/dbraw/zinc/61/53/40/1042615340.db2.gz YNOQROHAYACVMB-JKSUJKDBSA-N 1 0 322.493 4.149 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420992580 1042620008 /nfs/dbraw/zinc/62/00/08/1042620008.db2.gz KTRZLPWEZMXLBI-MRXNPFEDSA-N 1 0 316.351 4.053 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420998445 1042621197 /nfs/dbraw/zinc/62/11/97/1042621197.db2.gz TYMWQLHAPYNIRS-MRXNPFEDSA-N 1 0 316.351 4.053 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000618808136 1042626338 /nfs/dbraw/zinc/62/63/38/1042626338.db2.gz ZINOUOCMCKAXMP-OALUTQOASA-N 1 0 310.347 4.101 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccc3cnccc3c2)C2CC2)cc1 ZINC000618808898 1042627653 /nfs/dbraw/zinc/62/76/53/1042627653.db2.gz GEKKZKGSYBWHSW-UHFFFAOYSA-N 1 0 313.404 4.271 20 30 DIEDRO CC[NH+](CC)Cc1cccc(NCc2ccc(C#N)c(F)c2)c1 ZINC000421318742 1042629845 /nfs/dbraw/zinc/62/98/45/1042629845.db2.gz HRSBRXOURQBRDV-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO CCCCCOc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000421349258 1042631284 /nfs/dbraw/zinc/63/12/84/1042631284.db2.gz IXWIPOSIDWXUEU-UHFFFAOYSA-N 1 0 314.454 4.479 20 30 DIEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421335749 1042631775 /nfs/dbraw/zinc/63/17/75/1042631775.db2.gz UGBYUOMFJJYVJM-KRWDZBQOSA-N 1 0 312.388 4.402 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)cc1F ZINC000421362208 1042632661 /nfs/dbraw/zinc/63/26/61/1042632661.db2.gz ITPPTKRTGCCTMM-KGLIPLIRSA-N 1 0 314.326 4.156 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)cc1F ZINC000421375295 1042633336 /nfs/dbraw/zinc/63/33/36/1042633336.db2.gz COXSTTKSMVCQCX-GOSISDBHSA-N 1 0 316.326 4.143 20 30 DIEDRO CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1C#N ZINC000016386814 1042633946 /nfs/dbraw/zinc/63/39/46/1042633946.db2.gz JDXCCQBVLOAHCH-UHFFFAOYSA-N 1 0 319.452 4.181 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CCC(C#N)CC1 ZINC000421853675 1042656754 /nfs/dbraw/zinc/65/67/54/1042656754.db2.gz KDDIIPDDTKRWIL-IYXRBSQSSA-N 1 0 308.828 4.330 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C(C)C)c(F)c1 ZINC000421862442 1042658271 /nfs/dbraw/zinc/65/82/71/1042658271.db2.gz WIYYYQOBBPARFE-SUNYJGFJSA-N 1 0 304.409 4.203 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421878123 1042660114 /nfs/dbraw/zinc/66/01/14/1042660114.db2.gz LQPFWUBNAGAWBP-SNVBAGLBSA-N 1 0 305.472 4.359 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1F)C(C)C ZINC000421848735 1042660205 /nfs/dbraw/zinc/66/02/05/1042660205.db2.gz AVOTYTIYEKUPQA-CCKFTAQKSA-N 1 0 321.436 4.102 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000424134223 1042727694 /nfs/dbraw/zinc/72/76/94/1042727694.db2.gz HOSYXPQFTRSNGR-WNYOCNMUSA-N 1 0 311.425 4.090 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000424197607 1042729062 /nfs/dbraw/zinc/72/90/62/1042729062.db2.gz CEHXTJYRFCFTNC-ACDBMABISA-N 1 0 318.420 4.025 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000424191411 1042729454 /nfs/dbraw/zinc/72/94/54/1042729454.db2.gz HJUVURVQGALKPH-IINYFYTJSA-N 1 0 323.223 4.051 20 30 DIEDRO COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424195651 1042729501 /nfs/dbraw/zinc/72/95/01/1042729501.db2.gz MLPWZDLZPHSEGG-HNAYVOBHSA-N 1 0 306.409 4.144 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000424293651 1042731167 /nfs/dbraw/zinc/73/11/67/1042731167.db2.gz JBVDHELKZGHGJC-YWVKMMECSA-N 1 0 306.258 4.297 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000424294906 1042731313 /nfs/dbraw/zinc/73/13/13/1042731313.db2.gz LTEGNGAXVFYKMY-LAQRGFTBSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000424289891 1042731348 /nfs/dbraw/zinc/73/13/48/1042731348.db2.gz ANENQAGDRKDWNB-PCCBWWKXSA-N 1 0 307.437 4.265 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000424300284 1042731944 /nfs/dbraw/zinc/73/19/44/1042731944.db2.gz XJMOLXVUERKAIF-KMFMINBZSA-N 1 0 314.454 4.052 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000424299655 1042731947 /nfs/dbraw/zinc/73/19/47/1042731947.db2.gz VTOMWHYLQXQDJG-KMFMINBZSA-N 1 0 323.864 4.369 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000424301342 1042732400 /nfs/dbraw/zinc/73/24/00/1042732400.db2.gz ZTNYKPPNUFJDTB-IMJJTQAJSA-N 1 0 324.262 4.081 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000424281884 1042733127 /nfs/dbraw/zinc/73/31/27/1042733127.db2.gz ONSGGSFOBPSXDJ-NTODXPRQSA-N 1 0 321.411 4.375 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000424281883 1042733212 /nfs/dbraw/zinc/73/32/12/1042733212.db2.gz ONSGGSFOBPSXDJ-MEXWJNSZSA-N 1 0 321.411 4.375 20 30 DIEDRO COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc2)c1 ZINC000424331745 1042734677 /nfs/dbraw/zinc/73/46/77/1042734677.db2.gz SIWAQJFQSJIRIX-DSKINZAPSA-N 1 0 320.436 4.261 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)c(Cl)c1 ZINC000424342205 1042738259 /nfs/dbraw/zinc/73/82/59/1042738259.db2.gz CKQAAGHUXHBFNC-IYXRBSQSSA-N 1 0 306.837 4.329 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCC(F)(F)C1 ZINC000513893549 1042761461 /nfs/dbraw/zinc/76/14/61/1042761461.db2.gz WADITGVHJXOGEM-KRWDZBQOSA-N 1 0 304.384 4.372 20 30 DIEDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000425338997 1042793951 /nfs/dbraw/zinc/79/39/51/1042793951.db2.gz BXIJQNSRNDELNQ-RTBURBONSA-N 1 0 308.450 4.209 20 30 DIEDRO C[C@@H](CC1CCOCC1)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425365178 1042797577 /nfs/dbraw/zinc/79/75/77/1042797577.db2.gz JESGYVSKBSJDNY-HOTGVXAUSA-N 1 0 300.446 4.004 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)N(C)Cc1cnc(C2CCC2)s1 ZINC000425365464 1042797936 /nfs/dbraw/zinc/79/79/36/1042797936.db2.gz KTPJREQTJPYVJH-CYBMUJFWSA-N 1 0 311.454 4.475 20 30 DIEDRO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425367005 1042799269 /nfs/dbraw/zinc/79/92/69/1042799269.db2.gz RKKPOIOMXWLHRM-HNNXBMFYSA-N 1 0 324.472 4.320 20 30 DIEDRO C=CCC(C)(C)C(=O)N[C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001269976774 1042806533 /nfs/dbraw/zinc/80/65/33/1042806533.db2.gz BADXXJWSYBEOPY-UXHICEINSA-N 1 0 318.505 4.083 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)nc1 ZINC000515418947 1042819057 /nfs/dbraw/zinc/81/90/57/1042819057.db2.gz LATIYDFNWOSFET-LJQANCHMSA-N 1 0 309.388 4.113 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCC(=O)c1ccccc1 ZINC000425539758 1042837689 /nfs/dbraw/zinc/83/76/89/1042837689.db2.gz UMNZWDQGGQOSAH-MRXNPFEDSA-N 1 0 306.409 4.214 20 30 DIEDRO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1ccc(C#N)cn1)C(C)C ZINC000516875664 1042857462 /nfs/dbraw/zinc/85/74/62/1042857462.db2.gz UYQHZQOJQNNLML-LJQANCHMSA-N 1 0 319.408 4.495 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000516893931 1042859160 /nfs/dbraw/zinc/85/91/60/1042859160.db2.gz HUHHUPFLJBGQTG-CHWSQXEVSA-N 1 0 303.381 4.189 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000516893934 1042859507 /nfs/dbraw/zinc/85/95/07/1042859507.db2.gz HUHHUPFLJBGQTG-STQMWFEESA-N 1 0 303.381 4.189 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](CC3CC3)C2)c(C(F)(F)F)c1 ZINC000516918711 1042859593 /nfs/dbraw/zinc/85/95/93/1042859593.db2.gz XJQZPLTWDUOAJO-CQSZACIVSA-N 1 0 308.347 4.199 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000517034167 1042864164 /nfs/dbraw/zinc/86/41/64/1042864164.db2.gz ULWXAGDDPIQDAH-ZDUSSCGKSA-N 1 0 321.380 4.195 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000517042841 1042864513 /nfs/dbraw/zinc/86/45/13/1042864513.db2.gz DYHKGUMQRXMJHS-HNNXBMFYSA-N 1 0 308.347 4.113 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000517746824 1042895643 /nfs/dbraw/zinc/89/56/43/1042895643.db2.gz CIODHACBGJDIJA-GOSISDBHSA-N 1 0 323.396 4.343 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000518761216 1042920923 /nfs/dbraw/zinc/92/09/23/1042920923.db2.gz CTMRBRNODPFUHW-UHFFFAOYSA-N 1 0 311.400 4.212 20 30 DIEDRO Cc1cccc(C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C2CC2)c1 ZINC000519565610 1042972634 /nfs/dbraw/zinc/97/26/34/1042972634.db2.gz DVLXPUAXWWWYDU-OAQYLSRUSA-N 1 0 304.437 4.172 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000894715031 1042974621 /nfs/dbraw/zinc/97/46/21/1042974621.db2.gz PHKWAIRMYMNKSQ-UHFFFAOYSA-N 1 0 310.463 4.397 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1F ZINC000151377559 1042989133 /nfs/dbraw/zinc/98/91/33/1042989133.db2.gz LACJEYRXJGGARO-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)cc1 ZINC000120882206 1042991097 /nfs/dbraw/zinc/99/10/97/1042991097.db2.gz BLHBRESCHKJSCS-SFHVURJKSA-N 1 0 312.438 4.356 20 30 DIEDRO C=CC[N@@H+](CCOc1ccccc1OCC)Cc1cccs1 ZINC000441240386 1043029289 /nfs/dbraw/zinc/02/92/89/1043029289.db2.gz BCCSIEBRWJQAOE-UHFFFAOYSA-N 1 0 317.454 4.214 20 30 DIEDRO C=C(C)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000520263675 1043029458 /nfs/dbraw/zinc/02/94/58/1043029458.db2.gz DZYMFVQCJBWKRS-UHFFFAOYSA-N 1 0 321.424 4.265 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000441332912 1043038106 /nfs/dbraw/zinc/03/81/06/1043038106.db2.gz SGJCIQMHTAYGMR-MGPUTAFESA-N 1 0 324.399 4.159 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000441367898 1043041465 /nfs/dbraw/zinc/04/14/65/1043041465.db2.gz YKNYMVICDKMGHP-LJQANCHMSA-N 1 0 310.416 4.459 20 30 DIEDRO COc1ccc2cc(C[NH2+]CC3CCC(C#N)CC3)ccc2c1 ZINC000441377937 1043041975 /nfs/dbraw/zinc/04/19/75/1043041975.db2.gz GZGMODYENCIMGD-UHFFFAOYSA-N 1 0 308.425 4.268 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894963740 1043051897 /nfs/dbraw/zinc/05/18/97/1043051897.db2.gz APXQTKRBVSJWLS-SFHVURJKSA-N 1 0 312.800 4.084 20 30 DIEDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000173857647 1043054403 /nfs/dbraw/zinc/05/44/03/1043054403.db2.gz FUZHGTHWKMQHGP-HNNXBMFYSA-N 1 0 321.424 4.004 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(C#N)cc1 ZINC000173951242 1043057576 /nfs/dbraw/zinc/05/75/76/1043057576.db2.gz BWVUMLRSCFYPRT-OAHLLOKOSA-N 1 0 321.424 4.125 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000174001121 1043058251 /nfs/dbraw/zinc/05/82/51/1043058251.db2.gz PIJYVYMONRIQLC-MAODMQOUSA-N 1 0 320.436 4.377 20 30 DIEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H](O)c1ccccc1 ZINC000794830799 1043069470 /nfs/dbraw/zinc/06/94/70/1043069470.db2.gz LKAXTGYURBNTPP-RYGJVYDSSA-N 1 0 308.425 4.111 20 30 DIEDRO C=CCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994254 1043070439 /nfs/dbraw/zinc/07/04/39/1043070439.db2.gz ALZXBLTWAWNYML-WCRBZPEASA-N 1 0 310.485 4.080 20 30 DIEDRO C#CCOc1ccc([C@H](C)Nc2cc(C)cc(C[NH+](C)C)c2)cc1 ZINC000777288110 1043075241 /nfs/dbraw/zinc/07/52/41/1043075241.db2.gz PULJYWFQKJUVSD-KRWDZBQOSA-N 1 0 322.452 4.242 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccc(OCC#N)cc1 ZINC000320010598 1043077168 /nfs/dbraw/zinc/07/71/68/1043077168.db2.gz FBFYMIJGZVNLNL-OLZOCXBDSA-N 1 0 316.351 4.279 20 30 DIEDRO CCc1nc2cc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)ccc2o1 ZINC000328794482 1043078857 /nfs/dbraw/zinc/07/88/57/1043078857.db2.gz SMFVQSVXEGISSH-ZDUSSCGKSA-N 1 0 315.417 4.243 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000328794806 1043079489 /nfs/dbraw/zinc/07/94/89/1043079489.db2.gz SQMXMCICIKCOHY-ZDUSSCGKSA-N 1 0 315.417 4.073 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cc(F)cc(OCC)c1)c1ccncc1 ZINC000865465204 1043101289 /nfs/dbraw/zinc/10/12/89/1043101289.db2.gz VMBSPNWTNVUYIA-SFHVURJKSA-N 1 0 300.377 4.026 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)s1 ZINC000176944056 1043101770 /nfs/dbraw/zinc/10/17/70/1043101770.db2.gz FTHPZQJIOFTRRY-AWEZNQCLSA-N 1 0 304.415 4.086 20 30 DIEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccc1F ZINC000865694997 1043124223 /nfs/dbraw/zinc/12/42/23/1043124223.db2.gz KIFJSNBLMQNDSA-OAHLLOKOSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccc1F ZINC000865694996 1043124783 /nfs/dbraw/zinc/12/47/83/1043124783.db2.gz KIFJSNBLMQNDSA-HNNXBMFYSA-N 1 0 323.415 4.017 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188606785 1043125047 /nfs/dbraw/zinc/12/50/47/1043125047.db2.gz VNNCXQPLFRIVQM-KKUMJFAQSA-N 1 0 307.400 4.195 20 30 DIEDRO Cc1cc2c(CC[NH2+]CC(C)(C)CCC#N)c[nH]c2cc1F ZINC000865743202 1043128856 /nfs/dbraw/zinc/12/88/56/1043128856.db2.gz LQVIHTGBHXSCRT-UHFFFAOYSA-N 1 0 301.409 4.078 20 30 DIEDRO C=CC[C@@H](C(=O)Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1 ZINC000188859571 1043130341 /nfs/dbraw/zinc/13/03/41/1043130341.db2.gz WZPAYQUEFJMOQR-GOSISDBHSA-N 1 0 317.392 4.375 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000865780833 1043133048 /nfs/dbraw/zinc/13/30/48/1043133048.db2.gz BFZJRSXTFWZKTP-FGZQJIAISA-N 1 0 300.368 4.193 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000178643504 1043135234 /nfs/dbraw/zinc/13/52/34/1043135234.db2.gz SOJAYXHRALOTFO-UONOGXRCSA-N 1 0 310.445 4.230 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000865830038 1043138464 /nfs/dbraw/zinc/13/84/64/1043138464.db2.gz JUXBUCAYKWVTKE-HZPDHXFCSA-N 1 0 322.374 4.474 20 30 DIEDRO CCc1nc2ccccc2n1[NH+]=C/C=C/c1ccc(F)c(F)c1 ZINC000794887849 1043148607 /nfs/dbraw/zinc/14/86/07/1043148607.db2.gz VVLFLXYOBFRQLQ-KLVJHGPXSA-N 1 0 311.335 4.424 20 30 DIEDRO N#CCc1cc2ccccc2c(N(C(N)=[NH2+])c2ccc(F)cc2)c1 ZINC001167999399 1043163244 /nfs/dbraw/zinc/16/32/44/1043163244.db2.gz LVZZPCNWUSQEQT-UHFFFAOYSA-N 1 0 318.355 4.077 20 30 DIEDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476513 1043163572 /nfs/dbraw/zinc/16/35/72/1043163572.db2.gz KAQKZDHPGKBDLN-RHSMWYFYSA-N 1 0 324.428 4.009 20 30 DIEDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476512 1043165469 /nfs/dbraw/zinc/16/54/69/1043165469.db2.gz KAQKZDHPGKBDLN-PBHICJAKSA-N 1 0 324.428 4.009 20 30 DIEDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441491702 1043183197 /nfs/dbraw/zinc/18/31/97/1043183197.db2.gz OZENRJQYGRETHW-UONOGXRCSA-N 1 0 324.428 4.007 20 30 DIEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+]CC(C)(C)CCC#N ZINC000866357656 1043187621 /nfs/dbraw/zinc/18/76/21/1043187621.db2.gz UIAUXLUFLBZVMB-INIZCTEOSA-N 1 0 309.457 4.475 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000866451591 1043203238 /nfs/dbraw/zinc/20/32/38/1043203238.db2.gz VWPOCKFOYNUXLT-RWBZWWBESA-N 1 0 300.446 4.335 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC[C@H]2CCCS2)CC1 ZINC000866479901 1043208912 /nfs/dbraw/zinc/20/89/12/1043208912.db2.gz ANLZOCMATMWAIF-JLAWEPINSA-N 1 0 314.498 4.266 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)CC2 ZINC000866535345 1043218889 /nfs/dbraw/zinc/21/88/89/1043218889.db2.gz BZZNEZCYTACYOQ-USXIJHARSA-N 1 0 320.358 4.280 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000866606631 1043232152 /nfs/dbraw/zinc/23/21/52/1043232152.db2.gz DCNKRZQIBOXPGM-PILAGYSTSA-N 1 0 318.848 4.232 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000866610493 1043234447 /nfs/dbraw/zinc/23/44/47/1043234447.db2.gz UJNGZYMJTVKURO-WDBKCZKBSA-N 1 0 312.310 4.245 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000520604403 1043234436 /nfs/dbraw/zinc/23/44/36/1043234436.db2.gz RRWKOFFCAQYGLQ-AUUYWEPGSA-N 1 0 312.388 4.206 20 30 DIEDRO C#CC(CC)(CC)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168004897 1043238686 /nfs/dbraw/zinc/23/86/86/1043238686.db2.gz BLJRNRDCCPZMTI-OPVJXMOQSA-N 1 0 312.501 4.210 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000320602588 1043264206 /nfs/dbraw/zinc/26/42/06/1043264206.db2.gz CQRHGRKBCXQRPT-UHFFFAOYSA-N 1 0 319.326 4.007 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3OC)cc1 ZINC000121912857 1043265493 /nfs/dbraw/zinc/26/54/93/1043265493.db2.gz UNKPNSQKTMHBQN-YWZLYKJASA-N 1 0 321.420 4.045 20 30 DIEDRO C[C@H](NCc1ccc(Cl)cc1F)c1ccc(C#N)cc1F ZINC000427885632 1043313725 /nfs/dbraw/zinc/31/37/25/1043313725.db2.gz MYGNYTXWSOSTKM-JTQLQIEISA-N 1 0 306.743 4.341 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOC1 ZINC001202528281 1043318328 /nfs/dbraw/zinc/31/83/28/1043318328.db2.gz BDEJEZYUROSPNY-PXNSSMCTSA-N 1 0 320.436 4.158 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000268789262 1043332282 /nfs/dbraw/zinc/33/22/82/1043332282.db2.gz FIGGPRZWUODVAJ-KBPBESRZSA-N 1 0 309.369 4.187 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(N(C)C)cc1 ZINC000268826046 1043333257 /nfs/dbraw/zinc/33/32/57/1043333257.db2.gz UHHYYZDKMCNCBN-FOIQADDNSA-N 1 0 307.441 4.426 20 30 DIEDRO Cc1c[nH+]ccc1NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000795100144 1043338340 /nfs/dbraw/zinc/33/83/40/1043338340.db2.gz HNQSNIVHMISVPQ-UHFFFAOYSA-N 1 0 305.406 4.024 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)cc1 ZINC000520962004 1043346579 /nfs/dbraw/zinc/34/65/79/1043346579.db2.gz MEGIMJYJFURTCE-UHFFFAOYSA-N 1 0 318.342 4.299 20 30 DIEDRO COc1ccc2oc(C[NH2+]C3(c4cccc(C#N)c4)CC3)cc2c1 ZINC000270699385 1043394666 /nfs/dbraw/zinc/39/46/66/1043394666.db2.gz XVCKEJXBVCQZLP-UHFFFAOYSA-N 1 0 318.376 4.092 20 30 DIEDRO Cc1nc(-c2ccc(CC[NH2+][C@H]3CC[C@H](C#N)C3)s2)cs1 ZINC000442633324 1043398338 /nfs/dbraw/zinc/39/83/38/1043398338.db2.gz CLJXMNBNCKWFAH-STQMWFEESA-N 1 0 317.483 4.004 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442712944 1043407029 /nfs/dbraw/zinc/40/70/29/1043407029.db2.gz HWKPUJHPRSSCEL-KBAYOESNSA-N 1 0 300.446 4.077 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(COCc3ccccc3)cc2)C1 ZINC000442712992 1043408203 /nfs/dbraw/zinc/40/82/03/1043408203.db2.gz HJZHPEDYXIFYKQ-RTWAWAEBSA-N 1 0 320.436 4.185 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(C#N)cc1 ZINC000871935119 1043416092 /nfs/dbraw/zinc/41/60/92/1043416092.db2.gz QXAJBIZKGWMSIY-VXGBXAGGSA-N 1 0 319.330 4.384 20 30 DIEDRO CCOc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000442779283 1043415877 /nfs/dbraw/zinc/41/58/77/1043415877.db2.gz LTBBFSXYILSDJB-OZOXKJRCSA-N 1 0 320.436 4.457 20 30 DIEDRO CCC(CC)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)N[C@H](C)c1ccccc1 ZINC000442774349 1043416647 /nfs/dbraw/zinc/41/66/47/1043416647.db2.gz AHCHZIRRDYCZLI-ZHALLVOQSA-N 1 0 313.489 4.178 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271431632 1043417082 /nfs/dbraw/zinc/41/70/82/1043417082.db2.gz DFQYMKIWKXQNHI-CRAIPNDOSA-N 1 0 309.409 4.119 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000442782623 1043419052 /nfs/dbraw/zinc/41/90/52/1043419052.db2.gz LMHWLDVUNMRETK-WMLDXEAASA-N 1 0 302.849 4.434 20 30 DIEDRO CCC[C@@H](NCc1cc(C#N)ccc1F)c1ncccc1Cl ZINC000925477500 1043420698 /nfs/dbraw/zinc/42/06/98/1043420698.db2.gz REORGZCPDVTYCC-MRXNPFEDSA-N 1 0 317.795 4.377 20 30 DIEDRO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)ccc1C#N ZINC000442807081 1043421136 /nfs/dbraw/zinc/42/11/36/1043421136.db2.gz DKYWNGHFIMMQMI-IBGZPJMESA-N 1 0 321.424 4.079 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](COCc2ccccc2)c2ccccc2)C1 ZINC000442767417 1043422101 /nfs/dbraw/zinc/42/21/01/1043422101.db2.gz MQHQCZRHTRXTSY-HMXCVIKNSA-N 1 0 320.436 4.226 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000442790755 1043423492 /nfs/dbraw/zinc/42/34/92/1043423492.db2.gz HNCALPRWOKIYRC-HLIPFELVSA-N 1 0 308.400 4.391 20 30 DIEDRO CCCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442799803 1043426598 /nfs/dbraw/zinc/42/65/98/1043426598.db2.gz ZYOVXCKZKRKUMN-WMZOPIPTSA-N 1 0 300.446 4.346 20 30 DIEDRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000442802599 1043426617 /nfs/dbraw/zinc/42/66/17/1043426617.db2.gz QCZVWINNIIGHLY-MRXNPFEDSA-N 1 0 312.438 4.138 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000442818192 1043428733 /nfs/dbraw/zinc/42/87/33/1043428733.db2.gz HVVGMWMQEZEGLP-WMZOPIPTSA-N 1 0 324.399 4.442 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000271524778 1043431851 /nfs/dbraw/zinc/43/18/51/1043431851.db2.gz OVYTXXVZWVSWPU-QRWLVFNGSA-N 1 0 306.409 4.060 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000442836089 1043433913 /nfs/dbraw/zinc/43/39/13/1043433913.db2.gz GKVXWMKVRQLNCO-HIFRSBDPSA-N 1 0 304.384 4.058 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000442836093 1043434564 /nfs/dbraw/zinc/43/45/64/1043434564.db2.gz GKVXWMKVRQLNCO-ZFWWWQNUSA-N 1 0 304.384 4.058 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)CCO1 ZINC000872051301 1043436109 /nfs/dbraw/zinc/43/61/09/1043436109.db2.gz HUIKEUOPDZYGEP-BZSNNMDCSA-N 1 0 300.446 4.215 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000442864250 1043436286 /nfs/dbraw/zinc/43/62/86/1043436286.db2.gz CCDVWSLYBGXLKG-KVULBXGLSA-N 1 0 318.848 4.473 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](COc2ccccc2)c2ccccc2)C1 ZINC000442860598 1043436659 /nfs/dbraw/zinc/43/66/59/1043436659.db2.gz LHPJJKVTNPIJML-IMFGXOCKSA-N 1 0 306.409 4.089 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(COC)c1)c1ccccc1 ZINC000271594988 1043441925 /nfs/dbraw/zinc/44/19/25/1043441925.db2.gz YUJHVKGVTYGVCX-JXFKEZNVSA-N 1 0 323.436 4.257 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000558117305 1043442820 /nfs/dbraw/zinc/44/28/20/1043442820.db2.gz PJGIYCXRWBQFEI-BEFAXECRSA-N 1 0 310.828 4.170 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000442854040 1043443697 /nfs/dbraw/zinc/44/36/97/1043443697.db2.gz VPHVNDGCTMDLAY-HONMWMINSA-N 1 0 300.299 4.101 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000442856352 1043445716 /nfs/dbraw/zinc/44/57/16/1043445716.db2.gz DFKISZLPDMYLJA-DOMZBBRYSA-N 1 0 308.347 4.019 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000442892147 1043451748 /nfs/dbraw/zinc/45/17/48/1043451748.db2.gz DTILXDGMYAONJB-MRXNPFEDSA-N 1 0 313.404 4.280 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000442889685 1043451875 /nfs/dbraw/zinc/45/18/75/1043451875.db2.gz FVFWWEKTVWSBHW-HRAATJIYSA-N 1 0 318.420 4.141 20 30 DIEDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000872076319 1043452143 /nfs/dbraw/zinc/45/21/43/1043452143.db2.gz ZGWSJMTXGVFJGR-AVGNSLFASA-N 1 0 319.430 4.050 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000442900936 1043453779 /nfs/dbraw/zinc/45/37/79/1043453779.db2.gz SPWGVUQVRPDLLD-AEFFLSMTSA-N 1 0 306.409 4.020 20 30 DIEDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CCO1 ZINC000872086910 1043454353 /nfs/dbraw/zinc/45/43/53/1043454353.db2.gz ZECQIRDPVMIJFV-ZWKOTPCHSA-N 1 0 312.457 4.121 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(O)ccc1F ZINC000872081584 1043454428 /nfs/dbraw/zinc/45/44/28/1043454428.db2.gz ZSRGBXRLVXWDHD-CWTRNNRKSA-N 1 0 310.372 4.131 20 30 DIEDRO C=C[C@@](C)(CC)C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000442930847 1043457104 /nfs/dbraw/zinc/45/71/04/1043457104.db2.gz BHIMEORAOFIDOB-FQEVSTJZSA-N 1 0 322.537 4.195 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000872100108 1043458660 /nfs/dbraw/zinc/45/86/60/1043458660.db2.gz HBQWAFKSEXPAGB-ZDUSSCGKSA-N 1 0 310.507 4.283 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000872100459 1043458769 /nfs/dbraw/zinc/45/87/69/1043458769.db2.gz JFMISVLHXLRXIN-CYBMUJFWSA-N 1 0 323.868 4.034 20 30 DIEDRO CCCc1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)C(C)C)cc1 ZINC000558244538 1043471077 /nfs/dbraw/zinc/47/10/77/1043471077.db2.gz CBBFJFOSVXWQFM-HXUWFJFHSA-N 1 0 307.441 4.393 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC(C)(C)CCC#N ZINC000348878001 1043478498 /nfs/dbraw/zinc/47/84/98/1043478498.db2.gz QCIBVIMZXZKIOW-UHFFFAOYSA-N 1 0 302.466 4.172 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000124069926 1043495265 /nfs/dbraw/zinc/49/52/65/1043495265.db2.gz GDIUOKPNIUAUHA-MGPUTAFESA-N 1 0 324.399 4.454 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)ccc1C#N ZINC000873184969 1043523562 /nfs/dbraw/zinc/52/35/62/1043523562.db2.gz NODNUMUSHLYEGE-GFCCVEGCSA-N 1 0 319.330 4.131 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(CC[NH2+]C)C(C)C ZINC000926101829 1043526562 /nfs/dbraw/zinc/52/65/62/1043526562.db2.gz RZXAOWZTFZSSOS-UHFFFAOYSA-N 1 0 317.477 4.000 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H](O)c1ccccc1 ZINC000873197291 1043526740 /nfs/dbraw/zinc/52/67/40/1043526740.db2.gz XZKGMLPFMAZZHM-UXHICEINSA-N 1 0 322.452 4.090 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000873198608 1043527139 /nfs/dbraw/zinc/52/71/39/1043527139.db2.gz ROMNGDNZJIVVTD-MQMHXKEQSA-N 1 0 302.468 4.153 20 30 DIEDRO C=CCOc1ccc(C[N@H+](Cc2ccco2)C(C)C)cc1OC ZINC000349829516 1043527655 /nfs/dbraw/zinc/52/76/55/1043527655.db2.gz CAYVZSCCRKOSPL-UHFFFAOYSA-N 1 0 315.413 4.264 20 30 DIEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC001307781739 1043529251 /nfs/dbraw/zinc/52/92/51/1043529251.db2.gz NSQZDNOYXMFXMU-JKSUJKDBSA-N 1 0 306.247 4.218 20 30 DIEDRO N#CCCC[NH2+][C@H](Cc1cccc(F)c1Cl)c1ccco1 ZINC000926131559 1043532709 /nfs/dbraw/zinc/53/27/09/1043532709.db2.gz FTLGOSZWJMYBOT-CQSZACIVSA-N 1 0 306.768 4.249 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000777587541 1043534876 /nfs/dbraw/zinc/53/48/76/1043534876.db2.gz UOVKAHOTSSAZLK-HRAATJIYSA-N 1 0 320.436 4.065 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000558567286 1043543185 /nfs/dbraw/zinc/54/31/85/1043543185.db2.gz RSZIDLMCZZBNHG-SJORKVTESA-N 1 0 311.454 4.091 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCCCOC)C(C)(C)C)cc1 ZINC001168016588 1043545556 /nfs/dbraw/zinc/54/55/56/1043545556.db2.gz BYEWTDZIRYCPRO-UHFFFAOYSA-N 1 0 305.462 4.279 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](Cc1ccccn1)c1ccccc1 ZINC000926212211 1043546801 /nfs/dbraw/zinc/54/68/01/1043546801.db2.gz CHYJSXMGMVKVBO-APWZRJJASA-N 1 0 307.441 4.283 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(F)c(F)c1 ZINC000926207003 1043546813 /nfs/dbraw/zinc/54/68/13/1043546813.db2.gz RYXGGQRMWJYADL-NZLNOFNTSA-N 1 0 307.384 4.129 20 30 DIEDRO CCc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000350662312 1043549782 /nfs/dbraw/zinc/54/97/82/1043549782.db2.gz UDXJCIKDUNFGHD-UHFFFAOYSA-N 1 0 313.470 4.235 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926312962 1043561405 /nfs/dbraw/zinc/56/14/05/1043561405.db2.gz CJNKYDZNEMWYJN-ROUUACIJSA-N 1 0 323.827 4.261 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001274931631 1043561455 /nfs/dbraw/zinc/56/14/55/1043561455.db2.gz SCFMUWKNISXQLN-KRWDZBQOSA-N 1 0 320.521 4.070 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(C)(C)O)cc1 ZINC000926314303 1043561806 /nfs/dbraw/zinc/56/18/06/1043561806.db2.gz HLMOMTHSIAIUBB-JLTOFOAXSA-N 1 0 320.436 4.124 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(CF)cc1 ZINC000777595114 1043562240 /nfs/dbraw/zinc/56/22/40/1043562240.db2.gz UVJTUTRYLTWCSL-VQTJNVASSA-N 1 0 308.400 4.428 20 30 DIEDRO C=C(CC)C[N@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC001168018765 1043564256 /nfs/dbraw/zinc/56/42/56/1043564256.db2.gz URPCIOOXXIQHQP-UHFFFAOYSA-N 1 0 321.461 4.279 20 30 DIEDRO Cc1ccc([C@H]([NH2+]CC2CCC(C#N)CC2)c2cccnc2)cc1 ZINC000926357343 1043569651 /nfs/dbraw/zinc/56/96/51/1043569651.db2.gz WLEUFAJJBZABRO-NGICGMGXSA-N 1 0 319.452 4.399 20 30 DIEDRO FC(F)C1([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000926364938 1043569761 /nfs/dbraw/zinc/56/97/61/1043569761.db2.gz QMCIZMKAYSYEPJ-UHFFFAOYSA-N 1 0 313.232 4.427 20 30 DIEDRO C=C(C)CN1CCC2(CC[NH+](C[C@H](CC)CCCC)CC2)C1=O ZINC001275081948 1043572144 /nfs/dbraw/zinc/57/21/44/1043572144.db2.gz JUFAMLARCIOSFF-GOSISDBHSA-N 1 0 320.521 4.093 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@]2(CCN(CCCC)C2=O)C1 ZINC001275114183 1043575671 /nfs/dbraw/zinc/57/56/71/1043575671.db2.gz KJXCZPFZIRTNBI-IBGZPJMESA-N 1 0 308.510 4.071 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000926426607 1043575873 /nfs/dbraw/zinc/57/58/73/1043575873.db2.gz KAPJHQACWNLJKZ-HXUWFJFHSA-N 1 0 321.468 4.155 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000926426606 1043576211 /nfs/dbraw/zinc/57/62/11/1043576211.db2.gz KAPJHQACWNLJKZ-FQEVSTJZSA-N 1 0 321.468 4.155 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000926439750 1043578062 /nfs/dbraw/zinc/57/80/62/1043578062.db2.gz YSFVTMWKXDDRKS-FFZOFVMBSA-N 1 0 322.452 4.379 20 30 DIEDRO COc1ccnc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000926480808 1043584333 /nfs/dbraw/zinc/58/43/33/1043584333.db2.gz RGZPVLJYYBEIJW-CRAIPNDOSA-N 1 0 309.413 4.176 20 30 DIEDRO N#CCCC[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001307864092 1043588360 /nfs/dbraw/zinc/58/83/60/1043588360.db2.gz NZIRIOLECLQJPT-MRXNPFEDSA-N 1 0 321.262 4.150 20 30 DIEDRO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(C#N)cc1 ZINC000185030826 1043594933 /nfs/dbraw/zinc/59/49/33/1043594933.db2.gz FZVSRWNCNKPYAH-CQSZACIVSA-N 1 0 321.399 4.082 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)Cc1cccc(-n2cccn2)c1 ZINC000353406019 1043603620 /nfs/dbraw/zinc/60/36/20/1043603620.db2.gz TVSUVOHTPYDSOB-UHFFFAOYSA-N 1 0 310.445 4.024 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000926592450 1043604146 /nfs/dbraw/zinc/60/41/46/1043604146.db2.gz VEHJPPLSLHJHDR-AEFFLSMTSA-N 1 0 309.457 4.057 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccco1 ZINC000353397026 1043604691 /nfs/dbraw/zinc/60/46/91/1043604691.db2.gz VLLCTHMTPLSKQS-SFHVURJKSA-N 1 0 307.397 4.262 20 30 DIEDRO CC[N@H+](C[C@@H](OC)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000558832467 1043612149 /nfs/dbraw/zinc/61/21/49/1043612149.db2.gz DARWTQGRBOAKAD-OXJNMPFZSA-N 1 0 308.425 4.329 20 30 DIEDRO CC1CCC(OC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000353520967 1043613093 /nfs/dbraw/zinc/61/30/93/1043613093.db2.gz QKBIVNTYGCGDLG-UHFFFAOYSA-N 1 0 312.457 4.118 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(OC)n1 ZINC000926671955 1043614209 /nfs/dbraw/zinc/61/42/09/1043614209.db2.gz RACZIYWGZXJNSB-QGZVFWFLSA-N 1 0 321.424 4.082 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4c3nccc4Cl)CCC2)cc1 ZINC000926671136 1043614306 /nfs/dbraw/zinc/61/43/06/1043614306.db2.gz MLZXVWBOLKBOIE-QGZVFWFLSA-N 1 0 323.827 4.263 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cnn(C2CCC2)c1 ZINC000926671129 1043614763 /nfs/dbraw/zinc/61/47/63/1043614763.db2.gz MLVDKJUZYAOMEL-HNNXBMFYSA-N 1 0 320.440 4.210 20 30 DIEDRO CC1CCC([N@@H+](Cc2cc(C#N)cs2)C[C@@H]2CCCO2)CC1 ZINC000353644330 1043626950 /nfs/dbraw/zinc/62/69/50/1043626950.db2.gz DFPMANLGELDNJK-PREGVCBESA-N 1 0 318.486 4.179 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](Cc2ccccc2)C2CC2)cc1 ZINC000125422602 1043627600 /nfs/dbraw/zinc/62/76/00/1043627600.db2.gz YRJIAIIPBFTYKE-MRXNPFEDSA-N 1 0 306.409 4.142 20 30 DIEDRO CC[N@H+](Cc1ccc(OC(C)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000125624253 1043642193 /nfs/dbraw/zinc/64/21/93/1043642193.db2.gz DFDRLLGXOOSYPA-OAHLLOKOSA-N 1 0 322.408 4.067 20 30 DIEDRO CC(C)(C)n1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)cn1 ZINC000353915956 1043656719 /nfs/dbraw/zinc/65/67/19/1043656719.db2.gz OXPLMJKUCIRIKO-GOSISDBHSA-N 1 0 310.445 4.163 20 30 DIEDRO C=CCC1([NH2+]C2CC(Sc3ccccc3)C2)CCOCC1 ZINC000895367008 1043657547 /nfs/dbraw/zinc/65/75/47/1043657547.db2.gz QOYZDVIZMSPNKE-UHFFFAOYSA-N 1 0 303.471 4.025 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccccc1-n1cccn1 ZINC001137100929 1043657896 /nfs/dbraw/zinc/65/78/96/1043657896.db2.gz ULHTWBHALRAQJP-UHFFFAOYSA-N 1 0 303.409 4.061 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1 ZINC000353915251 1043657903 /nfs/dbraw/zinc/65/79/03/1043657903.db2.gz MPDMSORERZKVHL-SFHVURJKSA-N 1 0 300.352 4.490 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000353918458 1043659433 /nfs/dbraw/zinc/65/94/33/1043659433.db2.gz YFQBJVDLRLTPOT-SFHVURJKSA-N 1 0 309.369 4.120 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1C#N ZINC000926966226 1043664717 /nfs/dbraw/zinc/66/47/17/1043664717.db2.gz IMHORXPIBJLSPA-WBMJQRKESA-N 1 0 310.372 4.050 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)cc1C#N ZINC000926961996 1043664804 /nfs/dbraw/zinc/66/48/04/1043664804.db2.gz LAGVIDGEAVOZDA-GOSISDBHSA-N 1 0 308.429 4.001 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000125809090 1043665198 /nfs/dbraw/zinc/66/51/98/1043665198.db2.gz CUPVYCVUQOETOP-CVEARBPZSA-N 1 0 324.424 4.179 20 30 DIEDRO Cc1nc2c(cccc2CC[NH2+][C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000926973434 1043665647 /nfs/dbraw/zinc/66/56/47/1043665647.db2.gz CYZMZRWXTJJBCA-LBPRGKRZSA-N 1 0 323.371 4.040 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(C(F)(F)F)CC1 ZINC000353983338 1043669325 /nfs/dbraw/zinc/66/93/25/1043669325.db2.gz XROYIGDLJIMXGJ-OAHLLOKOSA-N 1 0 308.347 4.258 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(Br)cc1 ZINC000051814323 1043669444 /nfs/dbraw/zinc/66/94/44/1043669444.db2.gz XLFIMIAKEMMBSS-CQSZACIVSA-N 1 0 314.226 4.151 20 30 DIEDRO CCC[C@H](CC)[NH2+]Cc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000125879170 1043672679 /nfs/dbraw/zinc/67/26/79/1043672679.db2.gz NFHOYLNKHMSHRI-JKSUJKDBSA-N 1 0 304.434 4.044 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](c2nc(CC)no2)C1)c1ccco1 ZINC000927046774 1043674106 /nfs/dbraw/zinc/67/41/06/1043674106.db2.gz CAZUARVYQYBDKA-ILXRZTDVSA-N 1 0 315.417 4.158 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000927114839 1043690514 /nfs/dbraw/zinc/69/05/14/1043690514.db2.gz HASXTNIHPUKSBI-XOBRGWDASA-N 1 0 324.399 4.052 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccco1 ZINC000927126745 1043694189 /nfs/dbraw/zinc/69/41/89/1043694189.db2.gz ZPZPBZSGWUOQMX-INIZCTEOSA-N 1 0 315.413 4.402 20 30 DIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000876600235 1043701340 /nfs/dbraw/zinc/70/13/40/1043701340.db2.gz DARIEIVSFSPJSL-HNNXBMFYSA-N 1 0 324.877 4.130 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@@]2(CCN(CC(=C)C)C2=O)C1 ZINC001275336938 1043708505 /nfs/dbraw/zinc/70/85/05/1043708505.db2.gz MKMPLFCFUBQZJH-HXUWFJFHSA-N 1 0 318.505 4.014 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000876803466 1043710371 /nfs/dbraw/zinc/71/03/71/1043710371.db2.gz IOIYCZDHSUQIAA-BRWVUGGUSA-N 1 0 320.502 4.356 20 30 DIEDRO Cc1ccc(CCC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000474278128 1043723944 /nfs/dbraw/zinc/72/39/44/1043723944.db2.gz VQOLCRSSJCZIIN-LEWJYISDSA-N 1 0 319.452 4.094 20 30 DIEDRO C[C@H](Nc1ccc2c(c1)CCCN2C)c1ccc(C#N)c(F)c1 ZINC000777655296 1043728380 /nfs/dbraw/zinc/72/83/80/1043728380.db2.gz HTQSODZHMCGHBW-ZDUSSCGKSA-N 1 0 309.388 4.253 20 30 DIEDRO N#CCCCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000354960540 1043732184 /nfs/dbraw/zinc/73/21/84/1043732184.db2.gz ONWREINGFFOWSV-GOSISDBHSA-N 1 0 313.832 4.302 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]C3CCC(C#N)CC3)c2)s1 ZINC000877049430 1043737445 /nfs/dbraw/zinc/73/74/45/1043737445.db2.gz VLFDDVOJJOPMEK-UHFFFAOYSA-N 1 0 321.449 4.459 20 30 DIEDRO N#CC1CCC([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000877067284 1043739941 /nfs/dbraw/zinc/73/99/41/1043739941.db2.gz FVMBBHZSIJJTJD-UHFFFAOYSA-N 1 0 301.821 4.036 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(OC)cnc1F)c1ccccc1 ZINC000877115045 1043745282 /nfs/dbraw/zinc/74/52/82/1043745282.db2.gz ANTOQJAZXWURIU-KRWDZBQOSA-N 1 0 300.377 4.026 20 30 DIEDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877130753 1043747608 /nfs/dbraw/zinc/74/76/08/1043747608.db2.gz TUYPSYAGJMPKNH-SJKOYZFVSA-N 1 0 311.816 4.020 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc([S@@](C)=O)cc1 ZINC000355213362 1043752736 /nfs/dbraw/zinc/75/27/36/1043752736.db2.gz FPPJOFWBMWFQCN-JOCHJYFZSA-N 1 0 313.466 4.002 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000355213757 1043753283 /nfs/dbraw/zinc/75/32/83/1043753283.db2.gz GBDIYTUKEIFGFR-KRWDZBQOSA-N 1 0 318.436 4.137 20 30 DIEDRO CCCC[N@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC001137119610 1043759078 /nfs/dbraw/zinc/75/90/78/1043759078.db2.gz ZLKYYLFLQNAKHE-UHFFFAOYSA-N 1 0 308.425 4.391 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)cnc1Cl)[C@H](C)Cc1ccsc1 ZINC000877439917 1043762651 /nfs/dbraw/zinc/76/26/51/1043762651.db2.gz HJURKISMQQABBT-GFCCVEGCSA-N 1 0 319.861 4.121 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)C(C)(C)Cc1ccccc1 ZINC001137121346 1043767977 /nfs/dbraw/zinc/76/79/77/1043767977.db2.gz GJYUEUMRJQPXJB-UHFFFAOYSA-N 1 0 308.425 4.042 20 30 DIEDRO Cc1ccc(C[NH+](C)C)cc1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000777700829 1043767987 /nfs/dbraw/zinc/76/79/87/1043767987.db2.gz JJQOVTDLKNSAAL-HXUWFJFHSA-N 1 0 319.452 4.418 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877501670 1043768299 /nfs/dbraw/zinc/76/82/99/1043768299.db2.gz RKNHWLXDVXNXHQ-UHFFFAOYSA-N 1 0 319.861 4.369 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000877529452 1043769575 /nfs/dbraw/zinc/76/95/75/1043769575.db2.gz DSGOTSBVUSSHES-UHFFFAOYSA-N 1 0 307.850 4.369 20 30 DIEDRO C=CCC1(C[NH2+][C@H](C)CC[P@@](C)(=O)OCC)CCCC1 ZINC000877572804 1043776169 /nfs/dbraw/zinc/77/61/69/1043776169.db2.gz LGDZMGJAVHVTON-QRWLVFNGSA-N 1 0 301.411 4.436 20 30 DIEDRO C=CCC1(C[NH2+][C@H](C)CC[P@](C)(=O)OCC)CCCC1 ZINC000877572800 1043777594 /nfs/dbraw/zinc/77/75/94/1043777594.db2.gz LGDZMGJAVHVTON-FOIQADDNSA-N 1 0 301.411 4.436 20 30 DIEDRO C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc(C#N)ccc1F ZINC000025438987 1043779353 /nfs/dbraw/zinc/77/93/53/1043779353.db2.gz MONDDDBDDDABCO-LLVKDONJSA-N 1 0 304.315 4.169 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC[P@](C)(=O)OCC ZINC000877620128 1043781263 /nfs/dbraw/zinc/78/12/63/1043781263.db2.gz PRYFZFFEPYVRDA-KSVNGYGVSA-N 1 0 301.411 4.434 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC[P@@](C)(=O)OCC ZINC000877620122 1043781607 /nfs/dbraw/zinc/78/16/07/1043781607.db2.gz PRYFZFFEPYVRDA-DICRZQGBSA-N 1 0 301.411 4.434 20 30 DIEDRO CCC(CC)(C[NH2+][C@H](C)CC1(C#N)CCOCC1)C(F)(F)F ZINC000877707972 1043789808 /nfs/dbraw/zinc/78/98/08/1043789808.db2.gz UGRLKRMATRCPRV-CYBMUJFWSA-N 1 0 320.399 4.044 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000877769591 1043797607 /nfs/dbraw/zinc/79/76/07/1043797607.db2.gz LORNVNJBCZNTAO-HNNXBMFYSA-N 1 0 319.408 4.091 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000877804856 1043801955 /nfs/dbraw/zinc/80/19/55/1043801955.db2.gz CZZOAFWBKICEQI-AWEZNQCLSA-N 1 0 320.502 4.234 20 30 DIEDRO CC(C)CCOC1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929279393 1043805452 /nfs/dbraw/zinc/80/54/52/1043805452.db2.gz QTIHHMNGZSWCSN-UHFFFAOYSA-N 1 0 306.494 4.378 20 30 DIEDRO N#CC1(CCCC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)CCC1 ZINC000929338819 1043811436 /nfs/dbraw/zinc/81/14/36/1043811436.db2.gz NQHBOLYHQYYTAF-SFHVURJKSA-N 1 0 316.445 4.125 20 30 DIEDRO CCc1ccc([C@@H]2CCCCCN2Cc2nc(C#N)cs2)o1 ZINC000356127527 1043812683 /nfs/dbraw/zinc/81/26/83/1043812683.db2.gz WGQVFMWLSRZBIH-HNNXBMFYSA-N 1 0 315.442 4.287 20 30 DIEDRO Cc1ccccc1C[C@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237357035 1043815328 /nfs/dbraw/zinc/81/53/28/1043815328.db2.gz FOSQYVKPIAWJMI-SFHVURJKSA-N 1 0 322.452 4.398 20 30 DIEDRO N#CC1CCC(C[NH+]2CCC(OC3CCCCC3)CC2)CC1 ZINC000929424680 1043816381 /nfs/dbraw/zinc/81/63/81/1043816381.db2.gz NDSDCTIMAYZVHO-UHFFFAOYSA-N 1 0 304.478 4.130 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)s1 ZINC000035253676 1043820122 /nfs/dbraw/zinc/82/01/22/1043820122.db2.gz YCXUDFPHKSGIRD-NSHDSACASA-N 1 0 306.818 4.155 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCCO[C@@H](c3ccccc3)C2)CCC1 ZINC000929530897 1043824547 /nfs/dbraw/zinc/82/45/47/1043824547.db2.gz QEMYWPVIVGMYHI-LJQANCHMSA-N 1 0 312.457 4.314 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000929757575 1043838528 /nfs/dbraw/zinc/83/85/28/1043838528.db2.gz TVMNJVBKGILUCD-ZYKFHVCXSA-N 1 0 307.441 4.088 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC2(C1)CCCCC2)c1ccccc1 ZINC000878136038 1043851605 /nfs/dbraw/zinc/85/16/05/1043851605.db2.gz VKODUNXOGWDKLJ-NRFANRHFSA-N 1 0 324.468 4.083 20 30 DIEDRO N#CCC1(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000878182190 1043854488 /nfs/dbraw/zinc/85/44/88/1043854488.db2.gz BVHSNYCZWJFBLI-RTBURBONSA-N 1 0 312.457 4.049 20 30 DIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)CC1CCC(C#N)CC1)CCC2 ZINC000929976228 1043861235 /nfs/dbraw/zinc/86/12/35/1043861235.db2.gz NEMBNOJIUVKKKH-ZBCRRDGASA-N 1 0 303.475 4.091 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1Br ZINC001308464173 1043865568 /nfs/dbraw/zinc/86/55/68/1043865568.db2.gz QDPBNIIQIOGOPC-TZMCWYRMSA-N 1 0 309.251 4.069 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccccc1 ZINC000878367651 1043880391 /nfs/dbraw/zinc/88/03/91/1043880391.db2.gz AGYOMBRBZRGUJS-RBUKOAKNSA-N 1 0 315.457 4.012 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)CC1CCC(C(F)(F)F)CC1 ZINC000185495015 1043881116 /nfs/dbraw/zinc/88/11/16/1043881116.db2.gz DCSMGSNHZZVCGU-UHFFFAOYSA-N 1 0 310.363 4.359 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000356822579 1043882814 /nfs/dbraw/zinc/88/28/14/1043882814.db2.gz NPODRLDXIMZSTJ-HZPDHXFCSA-N 1 0 314.473 4.350 20 30 DIEDRO N#CC1CCC(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000930178882 1043887794 /nfs/dbraw/zinc/88/77/94/1043887794.db2.gz IHIUIHKTLWZTCS-UHFFFAOYSA-N 1 0 315.848 4.154 20 30 DIEDRO C[C@H](CCO)[N@H+](CCCCC1(C#N)CCC1)Cc1ccccc1 ZINC000930177532 1043888265 /nfs/dbraw/zinc/88/82/65/1043888265.db2.gz NNYCNYHXHAFLHL-GOSISDBHSA-N 1 0 314.473 4.124 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1 ZINC000930204186 1043892563 /nfs/dbraw/zinc/89/25/63/1043892563.db2.gz IVGUJIFPMQCHRR-GOSISDBHSA-N 1 0 311.404 4.359 20 30 DIEDRO C=CCN1CCC([NH2+]C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474713522 1043896527 /nfs/dbraw/zinc/89/65/27/1043896527.db2.gz XVOPNKCHVFUISL-LJQANCHMSA-N 1 0 300.490 4.056 20 30 DIEDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]Cc2cncc(C#N)c2)cc1 ZINC000930216407 1043897305 /nfs/dbraw/zinc/89/73/05/1043897305.db2.gz HDZDOGZJLYOOMT-UHFFFAOYSA-N 1 0 307.441 4.276 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000474714407 1043899273 /nfs/dbraw/zinc/89/92/73/1043899273.db2.gz ZPXPTQURFVTNAP-HUUCEWRRSA-N 1 0 306.881 4.072 20 30 DIEDRO CCN(Cc1csc(Cl)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000289970986 1043901620 /nfs/dbraw/zinc/90/16/20/1043901620.db2.gz JCNHMNKMEJMQNH-LLVKDONJSA-N 1 0 305.834 4.251 20 30 DIEDRO Cc1csc([C@H]([NH2+]CCCCC2(C#N)CCC2)C2CC2)n1 ZINC000930237070 1043903741 /nfs/dbraw/zinc/90/37/41/1043903741.db2.gz FMDZUZQVTKJKEJ-OAHLLOKOSA-N 1 0 303.475 4.356 20 30 DIEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930238399 1043904066 /nfs/dbraw/zinc/90/40/66/1043904066.db2.gz NZPXFDJGCPODDW-NXOUGTEYSA-N 1 0 311.816 4.094 20 30 DIEDRO C=C(C)C[N@H+](CCCCC1(C#N)CCC1)Cc1ccc(CO)o1 ZINC000930455500 1043928698 /nfs/dbraw/zinc/92/86/98/1043928698.db2.gz PHUQZGZGNHPALY-UHFFFAOYSA-N 1 0 316.445 4.014 20 30 DIEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878995029 1043934072 /nfs/dbraw/zinc/93/40/72/1043934072.db2.gz IIROIZAJWFDHRU-PWIZWCRZSA-N 1 0 312.457 4.080 20 30 DIEDRO CC(C)([NH2+]CCCCC1(C#N)CCC1)c1ccccc1[N+](=O)[O-] ZINC000930554068 1043939567 /nfs/dbraw/zinc/93/95/67/1043939567.db2.gz GZLBJMCIBOILKE-UHFFFAOYSA-N 1 0 315.417 4.284 20 30 DIEDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000930571801 1043941426 /nfs/dbraw/zinc/94/14/26/1043941426.db2.gz YIWUOJAVDHENBZ-PMACEKPBSA-N 1 0 308.425 4.053 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1sccc1C ZINC000561397989 1043944080 /nfs/dbraw/zinc/94/40/80/1043944080.db2.gz KYILSDFTBHNSFO-UHFFFAOYSA-N 1 0 303.475 4.412 20 30 DIEDRO C[N@H+](CCCCC1(C#N)CCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000930610509 1043948538 /nfs/dbraw/zinc/94/85/38/1043948538.db2.gz RSBLTNSMCPNFRR-KRWDZBQOSA-N 1 0 320.864 4.169 20 30 DIEDRO C=CC(C)(C)CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000879176520 1043949026 /nfs/dbraw/zinc/94/90/26/1043949026.db2.gz YBPCWRWISFOFAP-KRWDZBQOSA-N 1 0 320.521 4.092 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CCC1 ZINC000930765350 1043961885 /nfs/dbraw/zinc/96/18/85/1043961885.db2.gz MAFGFXZNRBUBMI-GOSISDBHSA-N 1 0 316.489 4.132 20 30 DIEDRO Cc1ccc(C[N@H+](CCCCC2(C#N)CCC2)CC2CC2)cn1 ZINC000930816823 1043965493 /nfs/dbraw/zinc/96/54/93/1043965493.db2.gz PRFAISXUYRCFBY-UHFFFAOYSA-N 1 0 311.473 4.466 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC(c3ccc(F)cn3)CC2)CCC1 ZINC000931076131 1043987663 /nfs/dbraw/zinc/98/76/63/1043987663.db2.gz KQKZPYFQZYIENR-UHFFFAOYSA-N 1 0 315.436 4.264 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000931171432 1043998554 /nfs/dbraw/zinc/99/85/54/1043998554.db2.gz BFLLIOSHUOKMPP-FQEVSTJZSA-N 1 0 305.425 4.201 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000880388187 1044037475 /nfs/dbraw/zinc/03/74/75/1044037475.db2.gz JHDOVGKDONGWDJ-FQEVSTJZSA-N 1 0 322.452 4.233 20 30 DIEDRO CC[C@H](c1ccccc1OC)N(C)Cc1cc(F)ccc1C#N ZINC000561961951 1044039174 /nfs/dbraw/zinc/03/91/74/1044039174.db2.gz QXMOJONIPPXQNQ-GOSISDBHSA-N 1 0 312.388 4.289 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000931538706 1044041207 /nfs/dbraw/zinc/04/12/07/1044041207.db2.gz UUUBIOSZMKCWGT-LJQANCHMSA-N 1 0 312.457 4.099 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000931556211 1044043882 /nfs/dbraw/zinc/04/38/82/1044043882.db2.gz MLVGVEILLQPABH-UHYCVJNDSA-N 1 0 311.473 4.102 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880576888 1044048429 /nfs/dbraw/zinc/04/84/29/1044048429.db2.gz FNFDTJZHNRZEJC-GOSISDBHSA-N 1 0 306.494 4.235 20 30 DIEDRO CC1([NH+]2CCCCC2)CCN(CCCCC2(C#N)CCC2)CC1 ZINC000931610962 1044049508 /nfs/dbraw/zinc/04/95/08/1044049508.db2.gz RVYBSINTEKNKRN-UHFFFAOYSA-N 1 0 317.521 4.191 20 30 DIEDRO CC(C)C[NH+](Cc1cc(C#N)ccc1Br)CC(C)C ZINC001308648019 1044057042 /nfs/dbraw/zinc/05/70/42/1044057042.db2.gz YERMGTZPGOQXCY-UHFFFAOYSA-N 1 0 323.278 4.435 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000562202102 1044082558 /nfs/dbraw/zinc/08/25/58/1044082558.db2.gz KDBQIJFXTMGFKW-NEPJUHHUSA-N 1 0 319.861 4.292 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910563 1044084070 /nfs/dbraw/zinc/08/40/70/1044084070.db2.gz FHYKSDHWKXDYIL-CYBMUJFWSA-N 1 0 306.347 4.073 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000280922937 1044084091 /nfs/dbraw/zinc/08/40/91/1044084091.db2.gz UFUVZWFFBXBTFD-JURCDPSOSA-N 1 0 309.500 4.244 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000280968901 1044086202 /nfs/dbraw/zinc/08/62/02/1044086202.db2.gz ZXYAXBMNGVWJEU-YUELXQCFSA-N 1 0 322.518 4.381 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000380200056 1044095293 /nfs/dbraw/zinc/09/52/93/1044095293.db2.gz SSAYGRGTTVFCRY-LLVKDONJSA-N 1 0 306.656 4.304 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932194365 1044106805 /nfs/dbraw/zinc/10/68/05/1044106805.db2.gz RKILJMDMRFFJOY-CQSZACIVSA-N 1 0 317.502 4.141 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932203945 1044108778 /nfs/dbraw/zinc/10/87/78/1044108778.db2.gz NFGCAFFWROYJOY-ZBFHGGJFSA-N 1 0 311.454 4.030 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932199487 1044109531 /nfs/dbraw/zinc/10/95/31/1044109531.db2.gz ROUUPQOOFAKWAM-HOCLYGCPSA-N 1 0 311.454 4.030 20 30 DIEDRO COc1ccc2c(c1)CCC[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000562470781 1044118469 /nfs/dbraw/zinc/11/84/69/1044118469.db2.gz OFKKLXXGEUSVEU-UHFFFAOYSA-N 1 0 300.446 4.163 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000281357571 1044123113 /nfs/dbraw/zinc/12/31/13/1044123113.db2.gz KZVFPHBOBIPIEQ-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO CC[C@H](NCc1cc(C#N)ccc1F)c1cc(F)ccc1OC ZINC000932474571 1044134193 /nfs/dbraw/zinc/13/41/93/1044134193.db2.gz FXJUNXBXBYXTNV-KRWDZBQOSA-N 1 0 316.351 4.086 20 30 DIEDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000359295140 1044152066 /nfs/dbraw/zinc/15/20/66/1044152066.db2.gz OIOHBLHMDXRJLI-PXNSSMCTSA-N 1 0 312.457 4.381 20 30 DIEDRO C#CCC1([NH2+][C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CCC1 ZINC000933304843 1044192776 /nfs/dbraw/zinc/19/27/76/1044192776.db2.gz UCIFBHDYHOFRGE-HZPDHXFCSA-N 1 0 312.457 4.063 20 30 DIEDRO Cn1cc(C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)cc1C#N ZINC000359745794 1044196709 /nfs/dbraw/zinc/19/67/09/1044196709.db2.gz LXPQGJCPFKVDGN-GOSISDBHSA-N 1 0 313.420 4.303 20 30 DIEDRO CCOCCC1(CNC(=[NH2+])Nc2ccc([C@H](C)CC)cc2)CC1 ZINC000130621187 1044209524 /nfs/dbraw/zinc/20/95/24/1044209524.db2.gz JHLFAKGQXVDGGQ-OAHLLOKOSA-N 1 0 317.477 4.134 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cccc(Cl)c1N)c1ccccc1 ZINC000883130375 1044223691 /nfs/dbraw/zinc/22/36/91/1044223691.db2.gz CBKKKCMYVMUZMQ-QGZVFWFLSA-N 1 0 313.832 4.447 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000883209355 1044234253 /nfs/dbraw/zinc/23/42/53/1044234253.db2.gz ANMRVARFHKJUQZ-HSALFYBXSA-N 1 0 315.457 4.012 20 30 DIEDRO C=CCC[C@H](COc1ccccc1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883207116 1044234302 /nfs/dbraw/zinc/23/43/02/1044234302.db2.gz GXOUAWOSWMBSOO-QZTJIDSGSA-N 1 0 315.457 4.092 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000883216910 1044236913 /nfs/dbraw/zinc/23/69/13/1044236913.db2.gz XVXNYCDNLZMOEY-FUMNGEBKSA-N 1 0 315.457 4.010 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccccc1 ZINC000883219640 1044237066 /nfs/dbraw/zinc/23/70/66/1044237066.db2.gz WUFRAKUWOLCHBH-IBGZPJMESA-N 1 0 323.440 4.227 20 30 DIEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+]Cc1nnc(C2CC2)s1 ZINC000883229720 1044238764 /nfs/dbraw/zinc/23/87/64/1044238764.db2.gz PRPPTDRRTARVFC-INIZCTEOSA-N 1 0 313.470 4.083 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883222736 1044239706 /nfs/dbraw/zinc/23/97/06/1044239706.db2.gz ZJWZAXCKRNHAEJ-SFHVURJKSA-N 1 0 318.436 4.213 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883222735 1044240112 /nfs/dbraw/zinc/24/01/12/1044240112.db2.gz ZJWZAXCKRNHAEJ-GOSISDBHSA-N 1 0 318.436 4.213 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)nc1 ZINC000934339991 1044240362 /nfs/dbraw/zinc/24/03/62/1044240362.db2.gz KPXRKJMVENZLHX-GOSISDBHSA-N 1 0 313.445 4.091 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000883240987 1044240908 /nfs/dbraw/zinc/24/09/08/1044240908.db2.gz JBBFINJANLSHLX-HIEASXQVSA-N 1 0 309.494 4.216 20 30 DIEDRO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000883259109 1044250673 /nfs/dbraw/zinc/25/06/73/1044250673.db2.gz BUCWMVNLJJCWBG-UHFFFAOYSA-N 1 0 320.845 4.350 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC[C@@H]3CCCC3(F)F)cc2)CC1 ZINC000883265096 1044251992 /nfs/dbraw/zinc/25/19/92/1044251992.db2.gz RWWUHEPVGMKDEM-INIZCTEOSA-N 1 0 304.384 4.157 20 30 DIEDRO C=CC[C@@H]1CCN1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000934468829 1044252384 /nfs/dbraw/zinc/25/23/84/1044252384.db2.gz KODHVXHKEGYTHA-SNVBAGLBSA-N 1 0 324.211 4.194 20 30 DIEDRO C=CC[C@H]1CCN1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468711 1044253127 /nfs/dbraw/zinc/25/31/27/1044253127.db2.gz HLCDZSHQQVCPKH-WFASDCNBSA-N 1 0 317.820 4.025 20 30 DIEDRO C=CC[C@@H]1CCN1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468710 1044253292 /nfs/dbraw/zinc/25/32/92/1044253292.db2.gz HLCDZSHQQVCPKH-SWLSCSKDSA-N 1 0 317.820 4.025 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CCCSCC#N)cc2ccccc21 ZINC000934630646 1044263203 /nfs/dbraw/zinc/26/32/03/1044263203.db2.gz DAVRUUYYZXFICL-CQSZACIVSA-N 1 0 314.454 4.146 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CCCSCC#N)cc2ccccc21 ZINC000934630645 1044263433 /nfs/dbraw/zinc/26/34/33/1044263433.db2.gz DAVRUUYYZXFICL-AWEZNQCLSA-N 1 0 314.454 4.146 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccccc1 ZINC000883327368 1044273113 /nfs/dbraw/zinc/27/31/13/1044273113.db2.gz XCFKHSCDURSKSX-RBUKOAKNSA-N 1 0 309.457 4.485 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnc2c(cnn2C)c1)c1ccccc1 ZINC000883324702 1044273251 /nfs/dbraw/zinc/27/32/51/1044273251.db2.gz ASCKBKGUIDHTKV-IBGZPJMESA-N 1 0 320.440 4.156 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000840786638 1044283342 /nfs/dbraw/zinc/28/33/42/1044283342.db2.gz SPFMMZCJXWJZON-CQSZACIVSA-N 1 0 306.837 4.408 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000934877792 1044290725 /nfs/dbraw/zinc/29/07/25/1044290725.db2.gz SSOOMPZXBMGKBV-CRAIPNDOSA-N 1 0 315.461 4.056 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000934877798 1044291016 /nfs/dbraw/zinc/29/10/16/1044291016.db2.gz SSOOMPZXBMGKBV-QAPCUYQASA-N 1 0 315.461 4.056 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CCSCC1 ZINC000360649733 1044293105 /nfs/dbraw/zinc/29/31/05/1044293105.db2.gz VWRALGNTABXIPB-SFHVURJKSA-N 1 0 300.471 4.059 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1F ZINC000360650171 1044294902 /nfs/dbraw/zinc/29/49/02/1044294902.db2.gz XMJYRVGQIQQWIB-LJQANCHMSA-N 1 0 324.399 4.263 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655123 1044295322 /nfs/dbraw/zinc/29/53/22/1044295322.db2.gz BSSVZRFAPYBVBP-RTWAWAEBSA-N 1 0 320.436 4.303 20 30 DIEDRO CCOCCC1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360655286 1044295898 /nfs/dbraw/zinc/29/58/98/1044295898.db2.gz DAQHUEYYTVFMRM-LJQANCHMSA-N 1 0 312.457 4.122 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883384625 1044296275 /nfs/dbraw/zinc/29/62/75/1044296275.db2.gz VXHODDRCIXGIGZ-WMZOPIPTSA-N 1 0 315.457 4.394 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCOCc1ccccc1 ZINC000360657902 1044297039 /nfs/dbraw/zinc/29/70/39/1044297039.db2.gz PODXZSMRCXDMRX-NRFANRHFSA-N 1 0 320.436 4.132 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000360655205 1044297055 /nfs/dbraw/zinc/29/70/55/1044297055.db2.gz CCFDKHXQNREWSB-IBGZPJMESA-N 1 0 321.380 4.024 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000360656150 1044297463 /nfs/dbraw/zinc/29/74/63/1044297463.db2.gz GFJUYXNCFRUOSH-HKUYNNGSSA-N 1 0 310.441 4.017 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883384452 1044297762 /nfs/dbraw/zinc/29/77/62/1044297762.db2.gz RNXHOIVJDQKVTO-XYJFISCASA-N 1 0 315.457 4.250 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883384623 1044298004 /nfs/dbraw/zinc/29/80/04/1044298004.db2.gz VXHODDRCIXGIGZ-FUHWJXTLSA-N 1 0 315.457 4.394 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000563693215 1044303292 /nfs/dbraw/zinc/30/32/92/1044303292.db2.gz LSZVHUKZZZRPOG-OAHLLOKOSA-N 1 0 300.358 4.293 20 30 DIEDRO COc1cc(C)c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000186193891 1044303795 /nfs/dbraw/zinc/30/37/95/1044303795.db2.gz HUOJOFWKJBNDEF-HNNXBMFYSA-N 1 0 324.424 4.077 20 30 DIEDRO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000563716029 1044304997 /nfs/dbraw/zinc/30/49/97/1044304997.db2.gz MSDVEKBNGDBIJQ-AWEZNQCLSA-N 1 0 321.380 4.192 20 30 DIEDRO COCc1ccccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360834498 1044315123 /nfs/dbraw/zinc/31/51/23/1044315123.db2.gz IPGJBFRDDFEFTO-OAQYLSRUSA-N 1 0 320.436 4.262 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001253234455 1044315909 /nfs/dbraw/zinc/31/59/09/1044315909.db2.gz BGVYNIOMNLKVDH-MRXNPFEDSA-N 1 0 315.448 4.385 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1Br)c1ccc(C#N)cc1 ZINC000035256337 1044319380 /nfs/dbraw/zinc/31/93/80/1044319380.db2.gz IIIZMPDGWVGJTE-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1nccs1 ZINC000360883699 1044321465 /nfs/dbraw/zinc/32/14/65/1044321465.db2.gz LADVMOPIORKOIO-CXAGYDPISA-N 1 0 311.454 4.176 20 30 DIEDRO CCc1nc(C(C)C)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000293790331 1044328842 /nfs/dbraw/zinc/32/88/42/1044328842.db2.gz MMCSPIQXUYWVTL-HNNXBMFYSA-N 1 0 307.441 4.490 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CC[C@@H](F)C3)c2)c1 ZINC000564115623 1044341298 /nfs/dbraw/zinc/34/12/98/1044341298.db2.gz OIFVEEGPAFNSEJ-MOPGFXCFSA-N 1 0 324.399 4.117 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@H](C)Cc1ccsc1 ZINC000778371993 1044353870 /nfs/dbraw/zinc/35/38/70/1044353870.db2.gz PDKXDSNUPSQCLI-OAHLLOKOSA-N 1 0 314.454 4.104 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc(F)c(F)c1 ZINC000475317514 1044358169 /nfs/dbraw/zinc/35/81/69/1044358169.db2.gz ZZYFNYFFLJKTMB-MAUKXSAKSA-N 1 0 309.400 4.113 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)cc1OC ZINC001202579708 1044362595 /nfs/dbraw/zinc/36/25/95/1044362595.db2.gz NNHZTDVNMZVQBL-UHFFFAOYSA-N 1 0 303.446 4.174 20 30 DIEDRO CCCCCn1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c(C)n1 ZINC000564423947 1044378037 /nfs/dbraw/zinc/37/80/37/1044378037.db2.gz NVJXSSKGPCKCLK-HXUWFJFHSA-N 1 0 322.456 4.031 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCCc3cc(C#N)ccc31)CO2 ZINC000564809710 1044403835 /nfs/dbraw/zinc/40/38/35/1044403835.db2.gz PGNNFUWHLJPIHW-UXHICEINSA-N 1 0 318.420 4.358 20 30 DIEDRO CCC1(Cc2ccccc2)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000361480391 1044407874 /nfs/dbraw/zinc/40/78/74/1044407874.db2.gz CEZNURSJAYQACN-LJQANCHMSA-N 1 0 309.457 4.165 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000565619111 1044445455 /nfs/dbraw/zinc/44/54/55/1044445455.db2.gz FVKDREVBMBPVII-FQEVSTJZSA-N 1 0 308.425 4.158 20 30 DIEDRO N#CCC1(C[NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC001168067255 1044449430 /nfs/dbraw/zinc/44/94/30/1044449430.db2.gz HGTGGVGDPDSKIO-UHFFFAOYSA-N 1 0 319.246 4.112 20 30 DIEDRO CC(C)C[C@@H](CNc1cnccc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000565865352 1044461869 /nfs/dbraw/zinc/46/18/69/1044461869.db2.gz LWTMCGAMNZPDFK-LPHOPBHVSA-N 1 0 322.456 4.131 20 30 DIEDRO N#Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000566215865 1044475825 /nfs/dbraw/zinc/47/58/25/1044475825.db2.gz YRESPRWAVBMODF-HXUWFJFHSA-N 1 0 317.436 4.167 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000609916454 1044478268 /nfs/dbraw/zinc/47/82/68/1044478268.db2.gz PWRUMFLNMVLPMM-BBRMVZONSA-N 1 0 312.363 4.214 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(OC3CCCCC3)CC2)ccc1F ZINC000119362025 1044492923 /nfs/dbraw/zinc/49/29/23/1044492923.db2.gz QMWKKBAQYUULJI-UHFFFAOYSA-N 1 0 316.420 4.011 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000475568846 1044512155 /nfs/dbraw/zinc/51/21/55/1044512155.db2.gz BPJJXEQUNGFCCJ-HIFRSBDPSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)CC2 ZINC000566789818 1044516446 /nfs/dbraw/zinc/51/64/46/1044516446.db2.gz KPTSSCSHVOADGH-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)cc2C)CCCC1 ZINC000909600450 1044520820 /nfs/dbraw/zinc/52/08/20/1044520820.db2.gz LKMPCLVBGOWNQT-UHFFFAOYSA-N 1 0 300.446 4.132 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000121439166 1044524162 /nfs/dbraw/zinc/52/41/62/1044524162.db2.gz UEIBVNDZKVMKCW-GFCCVEGCSA-N 1 0 317.433 4.218 20 30 DIEDRO CCC1(CC)CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000362595566 1044535772 /nfs/dbraw/zinc/53/57/72/1044535772.db2.gz DZSMKBYICXSTEO-UHFFFAOYSA-N 1 0 324.428 4.010 20 30 DIEDRO CO[C@H](C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000567243404 1044554409 /nfs/dbraw/zinc/55/44/09/1044554409.db2.gz LWXMRRFTGQJNBJ-PCCBWWKXSA-N 1 0 320.436 4.146 20 30 DIEDRO C=CCCC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567371336 1044562042 /nfs/dbraw/zinc/56/20/42/1044562042.db2.gz SVGAYLLMJFEQTA-ZWKOTPCHSA-N 1 0 308.416 4.044 20 30 DIEDRO COc1ccc(CCC[N@H+](C)CCCCC(C)(C)C#N)cc1 ZINC000444600549 1044574756 /nfs/dbraw/zinc/57/47/56/1044574756.db2.gz WWBALZGMVCHNML-UHFFFAOYSA-N 1 0 302.462 4.280 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)c1ccco1 ZINC000353515786 1044577116 /nfs/dbraw/zinc/57/71/16/1044577116.db2.gz FKWYSYJEIBPHQK-CZUORRHYSA-N 1 0 313.401 4.128 20 30 DIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NC[C@H](C#N)CCC#N ZINC000567706425 1044581012 /nfs/dbraw/zinc/58/10/12/1044581012.db2.gz QUPJRASMEAITLV-KRWDZBQOSA-N 1 0 310.445 4.231 20 30 DIEDRO COc1c(C)cc(C[N@H+](C)CCCCC(C)(C)C#N)cc1C ZINC000444625761 1044581040 /nfs/dbraw/zinc/58/10/40/1044581040.db2.gz PTOIGZCRBJKOMA-UHFFFAOYSA-N 1 0 302.462 4.464 20 30 DIEDRO C[C@@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444646906 1044583906 /nfs/dbraw/zinc/58/39/06/1044583906.db2.gz KDJCIOUVUCSXMX-GOSISDBHSA-N 1 0 304.437 4.371 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000444664956 1044593847 /nfs/dbraw/zinc/59/38/47/1044593847.db2.gz OUPBUOQUYCXKBO-KSZLIROESA-N 1 0 305.510 4.044 20 30 DIEDRO C[C@]1(F)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444675009 1044597487 /nfs/dbraw/zinc/59/74/87/1044597487.db2.gz QDXCKYHKELDMRL-FQEVSTJZSA-N 1 0 322.427 4.320 20 30 DIEDRO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CCCCC(C)(C)C#N ZINC000444681583 1044601256 /nfs/dbraw/zinc/60/12/56/1044601256.db2.gz VKWAMHVRMKQUAF-FUHWJXTLSA-N 1 0 300.446 4.168 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1Cl ZINC000886107210 1044615944 /nfs/dbraw/zinc/61/59/44/1044615944.db2.gz NFELNAQTNXFHSE-MRXNPFEDSA-N 1 0 318.848 4.183 20 30 DIEDRO C=CCCCCCCCC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000886116496 1044618559 /nfs/dbraw/zinc/61/85/59/1044618559.db2.gz JBOVZNAHTPLIMW-SFHVURJKSA-N 1 0 309.494 4.221 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2nc(-c3ccsc3)no2)CCCC1(C)C ZINC000444783900 1044620206 /nfs/dbraw/zinc/62/02/06/1044620206.db2.gz MJCYXKZSECHDJG-AWEZNQCLSA-N 1 0 317.458 4.365 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2cccc(NC(C)=O)c2)CCCC1(C)C ZINC000444781216 1044620752 /nfs/dbraw/zinc/62/07/52/1044620752.db2.gz GKLYQEMRZFZACW-GOSISDBHSA-N 1 0 300.446 4.212 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cscc2Cl)cc1 ZINC000886199286 1044623824 /nfs/dbraw/zinc/62/38/24/1044623824.db2.gz QQJFOPJOEVHXAR-UHFFFAOYSA-N 1 0 319.861 4.041 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2nnc(-c3ccccc3)n2C)CCCC1(C)C ZINC000444776182 1044625641 /nfs/dbraw/zinc/62/56/41/1044625641.db2.gz BIAFOYVBSOMATP-KRWDZBQOSA-N 1 0 324.472 4.049 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCSC(F)(F)F)c1ccccc1 ZINC000886215725 1044626745 /nfs/dbraw/zinc/62/67/45/1044626745.db2.gz PWKQTNDERLPXQJ-ZDUSSCGKSA-N 1 0 302.365 4.264 20 30 DIEDRO C[C@]1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCOC2(CCC2)C1 ZINC000886343089 1044631176 /nfs/dbraw/zinc/63/11/76/1044631176.db2.gz QCBUVISWOHQCPF-IBGZPJMESA-N 1 0 324.468 4.071 20 30 DIEDRO C=CCc1cc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000523526949 1044653965 /nfs/dbraw/zinc/65/39/65/1044653965.db2.gz BOWINAZGBADLTC-KBPBESRZSA-N 1 0 303.446 4.044 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000523526948 1044654787 /nfs/dbraw/zinc/65/47/87/1044654787.db2.gz BOWINAZGBADLTC-HALDLXJZSA-N 1 0 303.446 4.044 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000568891105 1044656974 /nfs/dbraw/zinc/65/69/74/1044656974.db2.gz DKMRDOCKEZCAPV-XHBKTUGNSA-N 1 0 312.363 4.433 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)c1cncc(C(=O)OC)c1)c1ccccc1 ZINC000886553121 1044658465 /nfs/dbraw/zinc/65/84/65/1044658465.db2.gz DSSNISPHAKXNKQ-BEFAXECRSA-N 1 0 324.424 4.226 20 30 DIEDRO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000886542486 1044659246 /nfs/dbraw/zinc/65/92/46/1044659246.db2.gz AWMQWSOJRINYME-HKUYNNGSSA-N 1 0 312.457 4.170 20 30 DIEDRO Cc1nc(C2CC[NH+](CCC3(C#N)CCCCC3)CC2)[nH]c1C ZINC000886661213 1044677079 /nfs/dbraw/zinc/67/70/79/1044677079.db2.gz PFARNPDBWZXKHJ-UHFFFAOYSA-N 1 0 314.477 4.070 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886685845 1044678855 /nfs/dbraw/zinc/67/88/55/1044678855.db2.gz DFCSGDPWAKCJIF-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1C#N ZINC000886687842 1044682086 /nfs/dbraw/zinc/68/20/86/1044682086.db2.gz GDUJJMLBTGAQHF-NSHDSACASA-N 1 0 317.845 4.179 20 30 DIEDRO Cc1csc(C[C@@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)n1 ZINC000886694424 1044684042 /nfs/dbraw/zinc/68/40/42/1044684042.db2.gz VYMSOUPHJSODTK-HNNXBMFYSA-N 1 0 305.491 4.036 20 30 DIEDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717313 1044691156 /nfs/dbraw/zinc/69/11/56/1044691156.db2.gz ZMXUGMOQZABCNH-UONOGXRCSA-N 1 0 324.428 4.007 20 30 DIEDRO C[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CCC1(F)F ZINC000569318303 1044694416 /nfs/dbraw/zinc/69/44/16/1044694416.db2.gz SPYUBHWGDZVYKH-SNVBAGLBSA-N 1 0 318.289 4.054 20 30 DIEDRO CC1(c2cccc(Cl)c2)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000475626110 1044699435 /nfs/dbraw/zinc/69/94/35/1044699435.db2.gz ODVNCMBCERORTL-UHFFFAOYSA-N 1 0 314.816 4.358 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1 ZINC000365795453 1044703654 /nfs/dbraw/zinc/70/36/54/1044703654.db2.gz NRZVNRFHLDBRNL-MOPGFXCFSA-N 1 0 312.457 4.481 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1sccc1Br ZINC000569756942 1044709429 /nfs/dbraw/zinc/70/94/29/1044709429.db2.gz GAYWSCAYNJZZHP-JTQLQIEISA-N 1 0 315.280 4.491 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000569751712 1044710389 /nfs/dbraw/zinc/71/03/89/1044710389.db2.gz PIBBFTDOWUNLLB-CQSZACIVSA-N 1 0 315.461 4.223 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000080533580 1044718094 /nfs/dbraw/zinc/71/80/94/1044718094.db2.gz HAINLVQFJCFYCQ-RBUKOAKNSA-N 1 0 314.473 4.382 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000569884135 1044719652 /nfs/dbraw/zinc/71/96/52/1044719652.db2.gz NAFCRVOYMLWIAJ-IBGZPJMESA-N 1 0 312.388 4.289 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044507 1044746534 /nfs/dbraw/zinc/74/65/34/1044746534.db2.gz QQGZEEAAUMYJPK-CQSZACIVSA-N 1 0 301.459 4.082 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccco1 ZINC000367620809 1044750364 /nfs/dbraw/zinc/75/03/64/1044750364.db2.gz RKFGUQKRIJDDJZ-QGZVFWFLSA-N 1 0 307.397 4.262 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000368187740 1044770326 /nfs/dbraw/zinc/77/03/26/1044770326.db2.gz IHEZMNQVHFDFCK-NSHDSACASA-N 1 0 313.264 4.341 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000570606434 1044770395 /nfs/dbraw/zinc/77/03/95/1044770395.db2.gz PRZVZTMNRBCPRZ-QGZVFWFLSA-N 1 0 300.427 4.211 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000368187739 1044770412 /nfs/dbraw/zinc/77/04/12/1044770412.db2.gz IHEZMNQVHFDFCK-LLVKDONJSA-N 1 0 313.264 4.341 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000524251910 1044779371 /nfs/dbraw/zinc/77/93/71/1044779371.db2.gz RUJWZDHSSCXHQP-MJGOQNOKSA-N 1 0 320.436 4.124 20 30 DIEDRO N#CCCCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000123809216 1044788265 /nfs/dbraw/zinc/78/82/65/1044788265.db2.gz XLLKYOSHUWKFMW-RTBURBONSA-N 1 0 300.446 4.049 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000034992590 1044796845 /nfs/dbraw/zinc/79/68/45/1044796845.db2.gz NBXIOOZNEGHAFA-CYBMUJFWSA-N 1 0 300.789 4.093 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)c1ccc(C#N)cc1 ZINC000369754819 1044814150 /nfs/dbraw/zinc/81/41/50/1044814150.db2.gz ZJWPQZLFMCRCDG-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(N2CCCC2)c1 ZINC000088764326 1044816802 /nfs/dbraw/zinc/81/68/02/1044816802.db2.gz DMHPLEFFSJOEMM-AWEZNQCLSA-N 1 0 311.454 4.071 20 30 DIEDRO N#CCCCCNc1ccnc2ccc(Br)cc21 ZINC000264231529 1044859632 /nfs/dbraw/zinc/85/96/32/1044859632.db2.gz RXJSACLGAHHLEH-UHFFFAOYSA-N 1 0 304.191 4.103 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000121626110 1044862002 /nfs/dbraw/zinc/86/20/02/1044862002.db2.gz LOUNSRDPKZHSEP-NEPJUHHUSA-N 1 0 322.330 4.452 20 30 DIEDRO CC(C)Cc1ncc(CN[C@H](CCC#N)c2ccccc2)s1 ZINC000130559893 1044865530 /nfs/dbraw/zinc/86/55/30/1044865530.db2.gz BFQMGAMMHFEOTO-QGZVFWFLSA-N 1 0 313.470 4.476 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000524811946 1044926410 /nfs/dbraw/zinc/92/64/10/1044926410.db2.gz VFTQOKLSSJHCFS-QGZVFWFLSA-N 1 0 303.446 4.067 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CC(C)(C)c1ncccc1C ZINC000574005385 1044936570 /nfs/dbraw/zinc/93/65/70/1044936570.db2.gz KTZYVBVHDSDXJW-UHFFFAOYSA-N 1 0 310.441 4.022 20 30 DIEDRO Cc1cnc(C2CC[NH+](CCCCC(C)(C)C#N)CC2)s1 ZINC000373075371 1044937950 /nfs/dbraw/zinc/93/79/50/1044937950.db2.gz VMJOLAKUIZRQEM-UHFFFAOYSA-N 1 0 305.491 4.351 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000373117626 1044942548 /nfs/dbraw/zinc/94/25/48/1044942548.db2.gz IKYHZIVBBHGJHP-KRWDZBQOSA-N 1 0 310.445 4.003 20 30 DIEDRO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1C ZINC000574468497 1044955284 /nfs/dbraw/zinc/95/52/84/1044955284.db2.gz KODNHDKQWPRFDD-MSOLQXFVSA-N 1 0 304.437 4.227 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000574684209 1044966982 /nfs/dbraw/zinc/96/69/82/1044966982.db2.gz IBENDMPJPXIUCD-GUYCJALGSA-N 1 0 301.821 4.214 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(C#N)c(F)c1 ZINC000134965908 1044972641 /nfs/dbraw/zinc/97/26/41/1044972641.db2.gz QCQSUUWZVWJGEV-BZNIZROVSA-N 1 0 300.402 4.487 20 30 DIEDRO CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000574847875 1044976978 /nfs/dbraw/zinc/97/69/78/1044976978.db2.gz LWICMMZJSGYFHI-HXUWFJFHSA-N 1 0 319.452 4.180 20 30 DIEDRO N#CC1(CC[NH+]2CCC(OC3CCCC3)CC2)CCCCC1 ZINC000411207817 1044984540 /nfs/dbraw/zinc/98/45/40/1044984540.db2.gz JCKZWWFOXSDXEK-UHFFFAOYSA-N 1 0 304.478 4.274 20 30 DIEDRO C[C@@H](CCC#N)[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000411379617 1045002220 /nfs/dbraw/zinc/00/22/20/1045002220.db2.gz FMBDKXHHIQRCPX-ZDUSSCGKSA-N 1 0 308.347 4.487 20 30 DIEDRO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000411443713 1045007650 /nfs/dbraw/zinc/00/76/50/1045007650.db2.gz SCTITNJZVZVYNH-NHCUHLMSSA-N 1 0 300.405 4.203 20 30 DIEDRO Cc1csc([C@@H]([NH2+]CCC2(C#N)CCCCC2)C2CC2)n1 ZINC000411481507 1045009794 /nfs/dbraw/zinc/00/97/94/1045009794.db2.gz QUMYHAXZMBTCEW-HNNXBMFYSA-N 1 0 303.475 4.356 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000411499651 1045013882 /nfs/dbraw/zinc/01/38/82/1045013882.db2.gz DTALRYYEIBDLJC-FOIQADDNSA-N 1 0 306.409 4.055 20 30 DIEDRO N#CC1(CC[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)CCCCC1 ZINC000411501852 1045014159 /nfs/dbraw/zinc/01/41/59/1045014159.db2.gz HSMSQPCOGPXAQS-SFHVURJKSA-N 1 0 322.456 4.147 20 30 DIEDRO N#CC1(C[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000575858256 1045014423 /nfs/dbraw/zinc/01/44/23/1045014423.db2.gz QZMIVWCQJRIWCE-HXUWFJFHSA-N 1 0 304.437 4.124 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](C)Cc1ccccc1 ZINC000575907949 1045017473 /nfs/dbraw/zinc/01/74/73/1045017473.db2.gz WPGOVHGVKTZCRG-QGZVFWFLSA-N 1 0 313.441 4.029 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)CCC#N)c1cc(F)cc(Br)c1 ZINC000411563299 1045017685 /nfs/dbraw/zinc/01/76/85/1045017685.db2.gz QRHZUNSOMDTJOW-YGRLFVJLSA-N 1 0 313.214 4.321 20 30 DIEDRO COCc1ccc([C@@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)o1 ZINC000411538297 1045018248 /nfs/dbraw/zinc/01/82/48/1045018248.db2.gz DLSXFMNUYPCDJF-KRWDZBQOSA-N 1 0 316.445 4.427 20 30 DIEDRO C[C@@H](CCC#N)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000411623686 1045021625 /nfs/dbraw/zinc/02/16/25/1045021625.db2.gz SWLKDZXBOPEJAD-ZDUSSCGKSA-N 1 0 321.262 4.321 20 30 DIEDRO CC(C)O[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000428452701 1045021986 /nfs/dbraw/zinc/02/19/86/1045021986.db2.gz CVGWERUYRAFAON-HXUWFJFHSA-N 1 0 308.425 4.156 20 30 DIEDRO C=C(C)C[N@H+](CCC1(C#N)CCCCC1)Cc1ccc(CO)o1 ZINC000411717760 1045025312 /nfs/dbraw/zinc/02/53/12/1045025312.db2.gz JMDXMOKEOGEVIA-UHFFFAOYSA-N 1 0 316.445 4.014 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000411717997 1045026159 /nfs/dbraw/zinc/02/61/59/1045026159.db2.gz JWKVDYBKKJFCLI-IAQYHMDHSA-N 1 0 312.335 4.318 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@H]1OCCc2sccc21 ZINC000411754312 1045028262 /nfs/dbraw/zinc/02/82/62/1045028262.db2.gz DWSZMPNNLFEJTA-WMLDXEAASA-N 1 0 318.486 4.204 20 30 DIEDRO C=CCC[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000525328895 1045038542 /nfs/dbraw/zinc/03/85/42/1045038542.db2.gz SRMZFYWCIHJRKA-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)c(OCC2CC2)c1 ZINC000152772427 1045048080 /nfs/dbraw/zinc/04/80/80/1045048080.db2.gz DFWIHJMTBCWKTN-UHFFFAOYSA-N 1 0 312.438 4.007 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2ccc(NC(C)=O)cc2)CCCC1(C)C ZINC000446829989 1045049085 /nfs/dbraw/zinc/04/90/85/1045049085.db2.gz NITJGQHCRYASKI-SFHVURJKSA-N 1 0 300.446 4.212 20 30 DIEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCCC1 ZINC000153664854 1045059569 /nfs/dbraw/zinc/05/95/69/1045059569.db2.gz NOACOXRERRBGLS-UHFFFAOYSA-N 1 0 322.456 4.228 20 30 DIEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000576790516 1045080341 /nfs/dbraw/zinc/08/03/41/1045080341.db2.gz XVVPVAOUKPCVRS-KSSFIOAISA-N 1 0 310.397 4.133 20 30 DIEDRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCC(C#N)CC1 ZINC000576864189 1045084232 /nfs/dbraw/zinc/08/42/32/1045084232.db2.gz QACYKSXRJSGSHT-UKTHLTGXSA-N 1 0 308.347 4.344 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC000576910842 1045088865 /nfs/dbraw/zinc/08/88/65/1045088865.db2.gz AZDPXYDYYRZROO-CEWLAPEOSA-N 1 0 318.420 4.055 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000374778822 1045089707 /nfs/dbraw/zinc/08/97/07/1045089707.db2.gz JRABPBLGXOZGDI-UHFFFAOYSA-N 1 0 318.436 4.137 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889836846 1045090739 /nfs/dbraw/zinc/09/07/39/1045090739.db2.gz YVPWLABCASZSQK-UHFFFAOYSA-N 1 0 308.510 4.260 20 30 DIEDRO N#Cc1ccc(C[NH+](CC2CC2)CC2CC2)c(C(F)(F)F)c1 ZINC000577251943 1045110579 /nfs/dbraw/zinc/11/05/79/1045110579.db2.gz IAMQUBFPHJPWKX-UHFFFAOYSA-N 1 0 308.347 4.199 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC001258039117 1045116536 /nfs/dbraw/zinc/11/65/36/1045116536.db2.gz KSXVPEWDPMBJIX-QGZVFWFLSA-N 1 0 310.526 4.362 20 30 DIEDRO CC[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000447529000 1045137284 /nfs/dbraw/zinc/13/72/84/1045137284.db2.gz KMWQURFWEMGZJJ-IBGZPJMESA-N 1 0 308.400 4.470 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccc(C#N)cc1 ZINC000447528332 1045137539 /nfs/dbraw/zinc/13/75/39/1045137539.db2.gz IWQNRAWCNSDTKT-HXUWFJFHSA-N 1 0 315.420 4.390 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C)COCc1ccccc1)c1ccc(C#N)cc1 ZINC000447530391 1045137707 /nfs/dbraw/zinc/13/77/07/1045137707.db2.gz MNPHPECXZUROGI-UTKZUKDTSA-N 1 0 322.452 4.452 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(C#N)cc1 ZINC000447533008 1045141130 /nfs/dbraw/zinc/14/11/30/1045141130.db2.gz YHALMBXDOWDAKP-GOSISDBHSA-N 1 0 300.352 4.120 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000447535613 1045141593 /nfs/dbraw/zinc/14/15/93/1045141593.db2.gz HIWYSSPLHDXEKL-FHWLQOOXSA-N 1 0 314.473 4.440 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc(C#N)cc1 ZINC000447537245 1045141773 /nfs/dbraw/zinc/14/17/73/1045141773.db2.gz UGBMQOFFWFBVMP-MGPUTAFESA-N 1 0 308.425 4.326 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc(C#N)cc1 ZINC000447544340 1045142777 /nfs/dbraw/zinc/14/27/77/1045142777.db2.gz ULDKOJFDJAKMHE-LJQANCHMSA-N 1 0 308.425 4.457 20 30 DIEDRO CC[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000447543601 1045143323 /nfs/dbraw/zinc/14/33/23/1045143323.db2.gz SFMKXABMOQMLEQ-MNEFBYGVSA-N 1 0 300.446 4.194 20 30 DIEDRO CCc1nc(CC[NH2+][C@H](CC)c2ccc(C#N)cc2)sc1C ZINC000447543624 1045143328 /nfs/dbraw/zinc/14/33/28/1045143328.db2.gz RSJLVBXTBNVQPL-QGZVFWFLSA-N 1 0 313.470 4.169 20 30 DIEDRO CCO[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000447569717 1045145399 /nfs/dbraw/zinc/14/53/99/1045145399.db2.gz QHOUUFIPPFPWKG-AUUYWEPGSA-N 1 0 312.388 4.126 20 30 DIEDRO CCO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000447569719 1045145439 /nfs/dbraw/zinc/14/54/39/1045145439.db2.gz QHOUUFIPPFPWKG-KUHUBIRLSA-N 1 0 312.388 4.126 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447574841 1045146777 /nfs/dbraw/zinc/14/67/77/1045146777.db2.gz OXOVYHQHQOGJOM-AEFFLSMTSA-N 1 0 322.456 4.168 20 30 DIEDRO CC[NH+](CC)Cc1cccc(NCc2cccc(F)c2C#N)c1 ZINC000600849306 1045148795 /nfs/dbraw/zinc/14/87/95/1045148795.db2.gz NJPROJBYIMWNPP-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC3([C@@H]4CCCCO4)CCC3)cc2)CC1 ZINC000600859304 1045152620 /nfs/dbraw/zinc/15/26/20/1045152620.db2.gz FVKWMCYMJQXEOT-IBGZPJMESA-N 1 0 324.468 4.071 20 30 DIEDRO C[C@@H](CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000447734157 1045170532 /nfs/dbraw/zinc/17/05/32/1045170532.db2.gz TZSOVBNYUUQMLL-UWJYYQICSA-N 1 0 320.436 4.125 20 30 DIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000577789150 1045171025 /nfs/dbraw/zinc/17/10/25/1045171025.db2.gz HZKYDQOWUMTIRG-IAGOWNOFSA-N 1 0 311.454 4.173 20 30 DIEDRO CC(C)COc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000577803502 1045173264 /nfs/dbraw/zinc/17/32/64/1045173264.db2.gz WFQGUYANKNQUFB-OAQYLSRUSA-N 1 0 320.436 4.370 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001258049984 1045174849 /nfs/dbraw/zinc/17/48/49/1045174849.db2.gz QVRVQJJJZCPHEF-GOSISDBHSA-N 1 0 310.526 4.316 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)cc1 ZINC000601129160 1045189732 /nfs/dbraw/zinc/18/97/32/1045189732.db2.gz BNMJOTSIRLQBIG-UHFFFAOYSA-N 1 0 318.342 4.147 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000924712625 1045193030 /nfs/dbraw/zinc/19/30/30/1045193030.db2.gz DDFAFWMENDSTOV-INIZCTEOSA-N 1 0 323.440 4.079 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1OC ZINC000601265372 1045207253 /nfs/dbraw/zinc/20/72/53/1045207253.db2.gz PALLRUDERAXKOL-KDOFPFPSSA-N 1 0 324.424 4.377 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(OC)c1OC ZINC000601266641 1045208992 /nfs/dbraw/zinc/20/89/92/1045208992.db2.gz PSINCCGPXIBBHV-KBXCAEBGSA-N 1 0 324.424 4.377 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@H]1CCCc2ncccc21)c1ccccc1 ZINC000601279511 1045209939 /nfs/dbraw/zinc/20/99/39/1045209939.db2.gz YVHGYTYXEXYFIV-ICSRJNTNSA-N 1 0 305.425 4.484 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(OC)c1OC ZINC000601280884 1045211039 /nfs/dbraw/zinc/21/10/39/1045211039.db2.gz SLQMMOGCMKNERV-HNNXBMFYSA-N 1 0 304.434 4.074 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000601286032 1045211507 /nfs/dbraw/zinc/21/15/07/1045211507.db2.gz VQDRFTXWGXCSHT-HBMCJLEFSA-N 1 0 318.420 4.055 20 30 DIEDRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000601299156 1045212438 /nfs/dbraw/zinc/21/24/38/1045212438.db2.gz JEMUUMBWBLVTNN-PXAZEXFGSA-N 1 0 311.454 4.442 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)CC2 ZINC000601288126 1045212506 /nfs/dbraw/zinc/21/25/06/1045212506.db2.gz QFQNFVBCYYPGMX-AWEZNQCLSA-N 1 0 322.355 4.416 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000448369938 1045238901 /nfs/dbraw/zinc/23/89/01/1045238901.db2.gz DBQBPPNUOWJEQB-GOEBONIOSA-N 1 0 323.864 4.030 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]CCc2cccc(C#N)c2)cc1F ZINC000578470302 1045245953 /nfs/dbraw/zinc/24/59/53/1045245953.db2.gz YVZXJEZTDYEZQR-ZDUSSCGKSA-N 1 0 314.429 4.313 20 30 DIEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1C#N ZINC001168097772 1045254417 /nfs/dbraw/zinc/25/44/17/1045254417.db2.gz ZXPAHAXZOHNUGF-DLBZAZTESA-N 1 0 300.446 4.132 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527894310 1045273682 /nfs/dbraw/zinc/27/36/82/1045273682.db2.gz NAOPAYLGONOLDN-KLAILNCOSA-N 1 0 322.456 4.068 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000578918999 1045281941 /nfs/dbraw/zinc/28/19/41/1045281941.db2.gz RFHBOAXMKZLSNV-CVEARBPZSA-N 1 0 320.436 4.338 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c1 ZINC000578959400 1045284252 /nfs/dbraw/zinc/28/42/52/1045284252.db2.gz AVKAZUTUPIMMCN-UHFFFAOYSA-N 1 0 306.340 4.247 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1ccc(C#N)cc1 ZINC000527974590 1045287374 /nfs/dbraw/zinc/28/73/74/1045287374.db2.gz SLVLTYHIYWNNOZ-LIRRHRJNSA-N 1 0 324.424 4.377 20 30 DIEDRO C=CCN1CCC([NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000579040144 1045290098 /nfs/dbraw/zinc/29/00/98/1045290098.db2.gz JJSBFFNWNDBXTC-UHFFFAOYSA-N 1 0 312.501 4.200 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000216168180 1045301439 /nfs/dbraw/zinc/30/14/39/1045301439.db2.gz FLEUYLYAVBEBJU-LLVKDONJSA-N 1 0 315.244 4.218 20 30 DIEDRO C[NH+](C)[C@H](CNc1cccc(C(F)F)c1C#N)c1ccsc1 ZINC000579293147 1045305991 /nfs/dbraw/zinc/30/59/91/1045305991.db2.gz PZZYGMXVHVRBQX-OAHLLOKOSA-N 1 0 321.396 4.272 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000579290982 1045306042 /nfs/dbraw/zinc/30/60/42/1045306042.db2.gz UYYGUKPFOYMBTQ-ZDUSSCGKSA-N 1 0 324.371 4.131 20 30 DIEDRO C[C@@H](OCCC[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000579413385 1045313679 /nfs/dbraw/zinc/31/36/79/1045313679.db2.gz MTPTXRIBYXKLNT-IERDGZPVSA-N 1 0 320.436 4.303 20 30 DIEDRO CCCCCCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000779149364 1045322932 /nfs/dbraw/zinc/32/29/32/1045322932.db2.gz IETHUUDXTZZIDK-SFHVURJKSA-N 1 0 303.425 4.209 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187780847 1045331102 /nfs/dbraw/zinc/33/11/02/1045331102.db2.gz PEZKHDQCABPELX-QZTJIDSGSA-N 1 0 321.342 4.044 20 30 DIEDRO CC(C)[N@H+](Cc1ccnn1C1CCCC1)Cc1ccc(C#N)cc1 ZINC000449012338 1045333751 /nfs/dbraw/zinc/33/37/51/1045333751.db2.gz BJUAOFRVRJMZCP-UHFFFAOYSA-N 1 0 322.456 4.280 20 30 DIEDRO N#CCCN(Cc1cnc(-c2ccccc2F)s1)CC1CC1 ZINC000449024025 1045338040 /nfs/dbraw/zinc/33/80/40/1045338040.db2.gz XHBVAFZPDMTZSL-UHFFFAOYSA-N 1 0 315.417 4.075 20 30 DIEDRO CC(C)COc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449086719 1045342840 /nfs/dbraw/zinc/34/28/40/1045342840.db2.gz SNOXTMYAHICQRV-UHFFFAOYSA-N 1 0 300.446 4.283 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000449079922 1045345279 /nfs/dbraw/zinc/34/52/79/1045345279.db2.gz RBVGRWAYQFJDHH-UHFFFAOYSA-N 1 0 313.264 4.073 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 ZINC000449102617 1045346406 /nfs/dbraw/zinc/34/64/06/1045346406.db2.gz ZUOQTOIACMDRHM-IAFLDTSXSA-N 1 0 316.420 4.108 20 30 DIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449100055 1045346488 /nfs/dbraw/zinc/34/64/88/1045346488.db2.gz VRQLDIZQKGNFFR-LRYGQEGESA-N 1 0 300.446 4.133 20 30 DIEDRO CC(C)COc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449097627 1045346612 /nfs/dbraw/zinc/34/66/12/1045346612.db2.gz MSXDSBKYUSYSPX-UHFFFAOYSA-N 1 0 300.446 4.283 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000449102162 1045346703 /nfs/dbraw/zinc/34/67/03/1045346703.db2.gz XLWDLPGTVYVDPJ-UHFFFAOYSA-N 1 0 311.454 4.372 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 ZINC000449102616 1045346838 /nfs/dbraw/zinc/34/68/38/1045346838.db2.gz ZUOQTOIACMDRHM-CXUOOODFSA-N 1 0 316.420 4.108 20 30 DIEDRO C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1ccccc1Cl ZINC000449167797 1045353096 /nfs/dbraw/zinc/35/30/96/1045353096.db2.gz LCDMWDNBESHWPX-CBCUQQMYSA-N 1 0 306.837 4.169 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449159803 1045355407 /nfs/dbraw/zinc/35/54/07/1045355407.db2.gz IUTKEIILWCOSAX-SJSXWMTQSA-N 1 0 320.864 4.478 20 30 DIEDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc(C#N)cs1 ZINC000449364508 1045382232 /nfs/dbraw/zinc/38/22/32/1045382232.db2.gz RATYFHCEXCHOEE-HOSYDEDBSA-N 1 0 302.365 4.171 20 30 DIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCOc1ccc(C#N)cc1 ZINC000779198195 1045369130 /nfs/dbraw/zinc/36/91/30/1045369130.db2.gz SWLGXTLSTJMYFR-IRXDYDNUSA-N 1 0 308.425 4.109 20 30 DIEDRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(CC#N)CC1 ZINC000449301161 1045372912 /nfs/dbraw/zinc/37/29/12/1045372912.db2.gz RANJTENIAUREBD-NSHDSACASA-N 1 0 313.228 4.044 20 30 DIEDRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(CC#N)CC1 ZINC000449301160 1045373257 /nfs/dbraw/zinc/37/32/57/1045373257.db2.gz RANJTENIAUREBD-LLVKDONJSA-N 1 0 313.228 4.044 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000449304317 1045373327 /nfs/dbraw/zinc/37/33/27/1045373327.db2.gz APLRDFYUZRCGKT-UHFFFAOYSA-N 1 0 313.420 4.302 20 30 DIEDRO COc1ccc([C@H]2C[C@H]([NH2+]C3CCC(C)(C#N)CC3)C2)cc1F ZINC000449307850 1045374052 /nfs/dbraw/zinc/37/40/52/1045374052.db2.gz RVWRKRRNRWQHPS-KRYJSJMHSA-N 1 0 316.420 4.142 20 30 DIEDRO N#C[C@@H]1C[N@H+](Cc2cccc3ccoc32)C[C@H]1c1ccccc1 ZINC000449341496 1045377854 /nfs/dbraw/zinc/37/78/54/1045377854.db2.gz UMXJJKGFPYUKAF-MOPGFXCFSA-N 1 0 302.377 4.172 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(Br)c1F ZINC000449334041 1045381519 /nfs/dbraw/zinc/38/15/19/1045381519.db2.gz WKLGNIHFUPPFDR-UHFFFAOYSA-N 1 0 313.214 4.008 20 30 DIEDRO CCCCOc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1OC ZINC000449447191 1045394630 /nfs/dbraw/zinc/39/46/30/1045394630.db2.gz WSRUFCWRKZMLNI-RDJZCZTQSA-N 1 0 316.445 4.046 20 30 DIEDRO CC(C)CCn1nc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000449488970 1045402111 /nfs/dbraw/zinc/40/21/11/1045402111.db2.gz MUBUXDBIFOXBCY-IAGOWNOFSA-N 1 0 324.472 4.254 20 30 DIEDRO N#Cc1cccc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000449666518 1045425273 /nfs/dbraw/zinc/42/52/73/1045425273.db2.gz PRMSEDBADNHZOX-UHFFFAOYSA-N 1 0 316.326 4.176 20 30 DIEDRO C=CCCCC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000475658143 1045426223 /nfs/dbraw/zinc/42/62/23/1045426223.db2.gz CXHKHSILVZMTDS-HKUYNNGSSA-N 1 0 314.473 4.027 20 30 DIEDRO C[C@@H]1C[C@H](Nc2cccc(CC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449699370 1045428117 /nfs/dbraw/zinc/42/81/17/1045428117.db2.gz OUORGTHWFSAIQG-DYESRHJHSA-N 1 0 319.452 4.218 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000529680212 1045512413 /nfs/dbraw/zinc/51/24/13/1045512413.db2.gz NRTJUWUYZLHOGU-UHFFFAOYSA-N 1 0 310.363 4.393 20 30 DIEDRO CCCC[N@@H+]1Cc2ccc(N=Cc3cc(OC)ccc3O)cc2C1 ZINC000750950100 1045573688 /nfs/dbraw/zinc/57/36/88/1045573688.db2.gz OPGYAWJLTVTWDL-UHFFFAOYSA-N 1 0 324.424 4.267 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC001460289003 1045590250 /nfs/dbraw/zinc/59/02/50/1045590250.db2.gz HLCZXNZNZGZZNZ-UONOGXRCSA-N 1 0 306.247 4.245 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccccc2SC)cc1 ZINC000800286995 1045606679 /nfs/dbraw/zinc/60/66/79/1045606679.db2.gz UMGSDVQNPCPCNO-OAHLLOKOSA-N 1 0 311.450 4.271 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000451117026 1045626156 /nfs/dbraw/zinc/62/61/56/1045626156.db2.gz SHUZJXLCXUYYLN-AWEZNQCLSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)cc1 ZINC000800495224 1045632338 /nfs/dbraw/zinc/63/23/38/1045632338.db2.gz LSIBFJJSYDCTBH-MOPGFXCFSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000451150946 1045636288 /nfs/dbraw/zinc/63/62/88/1045636288.db2.gz YENDRUWPYLOMME-DMDPSCGWSA-N 1 0 314.326 4.249 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000900498098 1045643424 /nfs/dbraw/zinc/64/34/24/1045643424.db2.gz KIZZORBWUBKZED-UHFFFAOYSA-N 1 0 320.502 4.332 20 30 DIEDRO N#CCOc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000752092715 1045657805 /nfs/dbraw/zinc/65/78/05/1045657805.db2.gz DBCPAWWWOICJQF-UHFFFAOYSA-N 1 0 324.399 4.108 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000451302245 1045658574 /nfs/dbraw/zinc/65/85/74/1045658574.db2.gz KCOPOINMRUKMIF-WFASDCNBSA-N 1 0 314.326 4.298 20 30 DIEDRO CN(Cc1cccc(C#N)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000530411977 1045661049 /nfs/dbraw/zinc/66/10/49/1045661049.db2.gz FSULWPKSUSPGEY-OAQYLSRUSA-N 1 0 318.420 4.029 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000530464290 1045669522 /nfs/dbraw/zinc/66/95/22/1045669522.db2.gz QWDASGZWUACRBQ-YLJYHZDGSA-N 1 0 308.400 4.198 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)C1 ZINC000451526654 1045693135 /nfs/dbraw/zinc/69/31/35/1045693135.db2.gz IQXXTHZBESZVGC-NVXWUHKLSA-N 1 0 320.839 4.379 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451570391 1045696525 /nfs/dbraw/zinc/69/65/25/1045696525.db2.gz PZFZTVMVKYXDPW-AWEZNQCLSA-N 1 0 321.262 4.178 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C(=O)OCCCC(C)(C)C#N)cc1 ZINC000801426066 1045707760 /nfs/dbraw/zinc/70/77/60/1045707760.db2.gz QIXWOOGKOWXDBS-UHFFFAOYSA-N 1 0 316.445 4.015 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000191442235 1045707906 /nfs/dbraw/zinc/70/79/06/1045707906.db2.gz NSBOMEFPDMWCNO-UHFFFAOYSA-N 1 0 323.484 4.095 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000191444184 1045709970 /nfs/dbraw/zinc/70/99/70/1045709970.db2.gz BZAWONCOZRHRHA-RRCMXIFQSA-N 1 0 310.441 4.036 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000191444169 1045710631 /nfs/dbraw/zinc/71/06/31/1045710631.db2.gz BZAWONCOZRHRHA-UYIIGHAYSA-N 1 0 310.441 4.036 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000191683404 1045747632 /nfs/dbraw/zinc/74/76/32/1045747632.db2.gz LDCQFRWAEJCSCY-HNNXBMFYSA-N 1 0 306.409 4.145 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451980223 1045755989 /nfs/dbraw/zinc/75/59/89/1045755989.db2.gz QQVXLPSSNNOEKB-IBGZPJMESA-N 1 0 314.498 4.207 20 30 DIEDRO Cc1cccc([C@H]2CC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000753591421 1045769374 /nfs/dbraw/zinc/76/93/74/1045769374.db2.gz PZLBZMUMLIJKOC-XLIONFOSSA-N 1 0 320.436 4.275 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000753590695 1045769434 /nfs/dbraw/zinc/76/94/34/1045769434.db2.gz OTJHALPSTFLWDG-CYBMUJFWSA-N 1 0 320.314 4.160 20 30 DIEDRO Cc1ccc([C@@H]2CC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)cc1 ZINC000753586622 1045769739 /nfs/dbraw/zinc/76/97/39/1045769739.db2.gz BRJWONGIQZKMFT-YLJYHZDGSA-N 1 0 320.436 4.275 20 30 DIEDRO C#CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000753666684 1045786271 /nfs/dbraw/zinc/78/62/71/1045786271.db2.gz ZDDKGZYADQMTOL-NRFANRHFSA-N 1 0 318.395 4.466 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000192157869 1045788197 /nfs/dbraw/zinc/78/81/97/1045788197.db2.gz FTBGXDQDORFHNA-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753677871 1045789824 /nfs/dbraw/zinc/78/98/24/1045789824.db2.gz ALVYWLQZPAHWKY-KRWDZBQOSA-N 1 0 323.436 4.175 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000192251749 1045795420 /nfs/dbraw/zinc/79/54/20/1045795420.db2.gz ADEDOQSMSIJZLT-UHFFFAOYSA-N 1 0 321.262 4.137 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2Cl)cc1 ZINC000753853760 1045810107 /nfs/dbraw/zinc/81/01/07/1045810107.db2.gz NRMZBHBULDDKAJ-UHFFFAOYSA-N 1 0 321.207 4.186 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCc2c1c(F)ccc2F)c1ccncc1 ZINC000753857720 1045811891 /nfs/dbraw/zinc/81/18/91/1045811891.db2.gz ICTLEIHYUZHTBB-IRXDYDNUSA-N 1 0 300.352 4.254 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1ccncc1 ZINC000753860058 1045812102 /nfs/dbraw/zinc/81/21/02/1045812102.db2.gz XZNFCHBOVIAUJK-MSOLQXFVSA-N 1 0 300.352 4.254 20 30 DIEDRO C[C@@H](C#N)OCC[N@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000801918498 1045835794 /nfs/dbraw/zinc/83/57/94/1045835794.db2.gz PHVTVQKBERVHKN-HOTGVXAUSA-N 1 0 308.425 4.294 20 30 DIEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000801912977 1045836912 /nfs/dbraw/zinc/83/69/12/1045836912.db2.gz KNFBESAQRUSBMO-MAUKXSAKSA-N 1 0 300.446 4.050 20 30 DIEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000801912979 1045837003 /nfs/dbraw/zinc/83/70/03/1045837003.db2.gz KNFBESAQRUSBMO-YJBOKZPZSA-N 1 0 300.446 4.050 20 30 DIEDRO C[C@H](C#N)OCC[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000801921638 1045839600 /nfs/dbraw/zinc/83/96/00/1045839600.db2.gz IEKSFTFRTSOZBQ-RHSMWYFYSA-N 1 0 306.837 4.186 20 30 DIEDRO COc1cc(Cl)c(C[NH2+]Cc2ccc(C#N)cc2)cc1Cl ZINC000754058554 1045839920 /nfs/dbraw/zinc/83/99/20/1045839920.db2.gz XSWQTGUKKIGICI-UHFFFAOYSA-N 1 0 321.207 4.163 20 30 DIEDRO C[C@@H](C#N)OCC[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000801921640 1045841211 /nfs/dbraw/zinc/84/12/11/1045841211.db2.gz IEKSFTFRTSOZBQ-YOEHRIQHSA-N 1 0 306.837 4.186 20 30 DIEDRO CC(C)(C)SCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000801925273 1045846541 /nfs/dbraw/zinc/84/65/41/1045846541.db2.gz KORJZIMLUUWGQL-IAGOWNOFSA-N 1 0 302.487 4.290 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801937603 1045853346 /nfs/dbraw/zinc/85/33/46/1045853346.db2.gz QWILRHRQOQMHOR-CXAGYDPISA-N 1 0 306.837 4.090 20 30 DIEDRO CCC[C@@H]([NH2+]CCO[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC000801937040 1045853493 /nfs/dbraw/zinc/85/34/93/1045853493.db2.gz CCRDLIKQIOXVQN-SWLSCSKDSA-N 1 0 314.351 4.065 20 30 DIEDRO C#CCCC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801950179 1045859161 /nfs/dbraw/zinc/85/91/61/1045859161.db2.gz JOBBLYDWCFXRNC-MSOLQXFVSA-N 1 0 322.855 4.006 20 30 DIEDRO C#CCCC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801950182 1045860354 /nfs/dbraw/zinc/86/03/54/1045860354.db2.gz JOBBLYDWCFXRNC-ZWKOTPCHSA-N 1 0 322.855 4.006 20 30 DIEDRO CC(C)C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000754295888 1045871146 /nfs/dbraw/zinc/87/11/46/1045871146.db2.gz JLABPRGVIKWESC-IRXDYDNUSA-N 1 0 314.454 4.030 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000631683968 1045904906 /nfs/dbraw/zinc/90/49/06/1045904906.db2.gz OLGPSHVROKGHFO-KRWDZBQOSA-N 1 0 300.446 4.066 20 30 DIEDRO Cc1cc(C[N@H+](CCC#N)C2CCCC2)ccc1Br ZINC001137615255 1045908410 /nfs/dbraw/zinc/90/84/10/1045908410.db2.gz KUCCELYVCQXUFU-UHFFFAOYSA-N 1 0 321.262 4.416 20 30 DIEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001137636883 1045913600 /nfs/dbraw/zinc/91/36/00/1045913600.db2.gz QSNOKANUPYVWPM-GFCCVEGCSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(O)c(OC)c1 ZINC000754720220 1045917952 /nfs/dbraw/zinc/91/79/52/1045917952.db2.gz MYGKFYSURYHYCH-GOSISDBHSA-N 1 0 323.436 4.119 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)c(OC)c1 ZINC000754726460 1045920706 /nfs/dbraw/zinc/92/07/06/1045920706.db2.gz PFFPUTAMYQPGBA-GOSISDBHSA-N 1 0 309.409 4.076 20 30 DIEDRO C=CCc1cc(C[N@H+](C)Cc2ccc(C)s2)c(O)c(OC)c1 ZINC000754727250 1045921691 /nfs/dbraw/zinc/92/16/91/1045921691.db2.gz TZTIQIKOXCBOQJ-UHFFFAOYSA-N 1 0 317.454 4.131 20 30 DIEDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000754737769 1045922596 /nfs/dbraw/zinc/92/25/96/1045922596.db2.gz VFDSBOUALWRNGO-UXHICEINSA-N 1 0 320.436 4.281 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000754798335 1045928622 /nfs/dbraw/zinc/92/86/22/1045928622.db2.gz MNISZRWZUUSMJA-NEPJUHHUSA-N 1 0 305.809 4.395 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1N1CCCCC1 ZINC000828749434 1045930810 /nfs/dbraw/zinc/93/08/10/1045930810.db2.gz JJKUPTNOSCHEHA-UHFFFAOYSA-N 1 0 311.473 4.111 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)c(C#N)c1 ZINC001137698206 1045938018 /nfs/dbraw/zinc/93/80/18/1045938018.db2.gz NWNVQXVBOVKFDY-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001258228589 1045941951 /nfs/dbraw/zinc/94/19/51/1045941951.db2.gz IRIIPLPOCZSZEG-ULQDDVLXSA-N 1 0 305.453 4.260 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000802303750 1045947993 /nfs/dbraw/zinc/94/79/93/1045947993.db2.gz PXSNUGICQVGYAM-SFHVURJKSA-N 1 0 312.457 4.426 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453149250 1045951152 /nfs/dbraw/zinc/95/11/52/1045951152.db2.gz QGXUPMHLCWQWAL-INIZCTEOSA-N 1 0 312.413 4.117 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001206596930 1045951122 /nfs/dbraw/zinc/95/11/22/1045951122.db2.gz ASPPWOGMZPCDAN-CYBMUJFWSA-N 1 0 324.262 4.251 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001206596931 1045951275 /nfs/dbraw/zinc/95/12/75/1045951275.db2.gz ASPPWOGMZPCDAN-ZDUSSCGKSA-N 1 0 324.262 4.251 20 30 DIEDRO CC1(C#N)CCC([NH2+]C2(CCOCc3ccccc3)CC2)CC1 ZINC000453182626 1045968245 /nfs/dbraw/zinc/96/82/45/1045968245.db2.gz NFFGAKCVTUNMSH-UHFFFAOYSA-N 1 0 312.457 4.188 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cc3nc(Cl)ccc3s2)c1 ZINC001202811144 1045977775 /nfs/dbraw/zinc/97/77/75/1045977775.db2.gz DLCOQOMFQWZXEI-UHFFFAOYSA-N 1 0 312.825 4.221 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1-c1ccccc1 ZINC001137858030 1045986963 /nfs/dbraw/zinc/98/69/63/1045986963.db2.gz UFCCWPNBPMUNKW-GOSISDBHSA-N 1 0 307.441 4.220 20 30 DIEDRO C=CCCCCC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000193298041 1045988651 /nfs/dbraw/zinc/98/86/51/1045988651.db2.gz MKKQWGAKTZRVTF-UHFFFAOYSA-N 1 0 300.446 4.084 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000531863339 1045990643 /nfs/dbraw/zinc/99/06/43/1045990643.db2.gz MFJVOMRPJHHQTL-UHFFFAOYSA-N 1 0 318.420 4.169 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3c(F)cccc31)CC2 ZINC000453223801 1045993193 /nfs/dbraw/zinc/99/31/93/1045993193.db2.gz BDOWGLSJBMDOCJ-UXHICEINSA-N 1 0 306.384 4.352 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2ccncc2)cc1 ZINC000453291630 1046018322 /nfs/dbraw/zinc/01/83/22/1046018322.db2.gz MJLFDNRITWLRIE-GUXCAODWSA-N 1 0 305.425 4.482 20 30 DIEDRO COc1ccc(C[NH2+]C2(c3cccc(C)c3)CCC2)cc1C#N ZINC000829873589 1046023037 /nfs/dbraw/zinc/02/30/37/1046023037.db2.gz JOPHJBVWUQCQED-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000453304658 1046026243 /nfs/dbraw/zinc/02/62/43/1046026243.db2.gz GGCDDGABDBOPRD-QGZVFWFLSA-N 1 0 302.368 4.251 20 30 DIEDRO C=CCCCC[NH+]1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000829974195 1046028387 /nfs/dbraw/zinc/02/83/87/1046028387.db2.gz ZFPDROXEQSCFSW-FQEVSTJZSA-N 1 0 317.473 4.187 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453312531 1046031971 /nfs/dbraw/zinc/03/19/71/1046031971.db2.gz HGTUWBDBPDEUSX-XLIONFOSSA-N 1 0 324.468 4.265 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH+]2CCC(Cc3c(F)cccc3F)CC2)C1 ZINC000453346649 1046049091 /nfs/dbraw/zinc/04/90/91/1046049091.db2.gz FWIJWKHRDLHLHV-CVEARBPZSA-N 1 0 318.411 4.302 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cccc(C(F)(F)F)c1 ZINC000902720825 1046049469 /nfs/dbraw/zinc/04/94/69/1046049469.db2.gz OJKCRACUNMBKGS-RYUDHWBXSA-N 1 0 319.330 4.384 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H](C)c2cc(C#N)ccn2)C(C)C)cc1 ZINC000902729666 1046051094 /nfs/dbraw/zinc/05/10/94/1046051094.db2.gz KWHVFKHFMDYCDY-AUUYWEPGSA-N 1 0 309.413 4.010 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000756090298 1046051160 /nfs/dbraw/zinc/05/11/60/1046051160.db2.gz HDHONVLVFTWUCD-IBGZPJMESA-N 1 0 322.537 4.317 20 30 DIEDRO C[C@H]([NH2+]CCSc1ccc(Cl)cc1)c1cc(C#N)ccn1 ZINC000902728633 1046051293 /nfs/dbraw/zinc/05/12/93/1046051293.db2.gz YEZLKDIKZBSBGU-LBPRGKRZSA-N 1 0 317.845 4.050 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC000902735637 1046053830 /nfs/dbraw/zinc/05/38/30/1046053830.db2.gz GZOLQGWGVNTLEH-SUMWQHHRSA-N 1 0 308.381 4.089 20 30 DIEDRO CC[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453354595 1046055056 /nfs/dbraw/zinc/05/50/56/1046055056.db2.gz JZRGAHQPKJQVQW-ZWKOTPCHSA-N 1 0 300.471 4.228 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000902742490 1046055819 /nfs/dbraw/zinc/05/58/19/1046055819.db2.gz QYILRBSHDZONOM-NQIIRXRSSA-N 1 0 319.452 4.125 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCc4ccc(C#N)cc43)C2)c1 ZINC000453356906 1046056890 /nfs/dbraw/zinc/05/68/90/1046056890.db2.gz JBTOKFORTICTJD-DBXWQHBBSA-N 1 0 318.420 4.090 20 30 DIEDRO COc1cccc(N=NC(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000779766373 1046059297 /nfs/dbraw/zinc/05/92/97/1046059297.db2.gz FHQOYCUBFNPERB-GOSISDBHSA-N 1 0 323.440 4.005 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)c(Cl)c1 ZINC000193696982 1046060413 /nfs/dbraw/zinc/06/04/13/1046060413.db2.gz JOLGGRRGXNSADV-GFCCVEGCSA-N 1 0 318.779 4.232 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000902765973 1046064958 /nfs/dbraw/zinc/06/49/58/1046064958.db2.gz DHDJLYRIMVLXIM-FZKQIMNGSA-N 1 0 309.369 4.268 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1C(F)(F)F ZINC000902765302 1046065510 /nfs/dbraw/zinc/06/55/10/1046065510.db2.gz OVPRHBDJEQUQGX-NEPJUHHUSA-N 1 0 319.330 4.384 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000453370554 1046070752 /nfs/dbraw/zinc/07/07/52/1046070752.db2.gz UGGKYWUWBKQEPZ-HZPDHXFCSA-N 1 0 314.473 4.141 20 30 DIEDRO CCCc1ncc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)o1 ZINC000453378587 1046072122 /nfs/dbraw/zinc/07/21/22/1046072122.db2.gz KIKIHCWCVRWDMH-GOSISDBHSA-N 1 0 309.413 4.056 20 30 DIEDRO CCOc1cc(C[NH2+][C@H](CC)c2cccc(C#N)c2)ccc1OC ZINC000902803107 1046073479 /nfs/dbraw/zinc/07/34/79/1046073479.db2.gz FPVKWQXQGNCQGC-GOSISDBHSA-N 1 0 324.424 4.206 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cn1)c1ccncc1 ZINC000902805533 1046074477 /nfs/dbraw/zinc/07/44/77/1046074477.db2.gz AXDCKZNSOJZYNZ-WBMJQRKESA-N 1 0 321.346 4.463 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(Cl)s1 ZINC000902803576 1046075311 /nfs/dbraw/zinc/07/53/11/1046075311.db2.gz ISNPDVUCKWYHBK-CMPLNLGQSA-N 1 0 305.834 4.470 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(F)c(COC)c1)c1cccc(C#N)c1 ZINC000902808717 1046075340 /nfs/dbraw/zinc/07/53/40/1046075340.db2.gz LTTFYHSEKNEUEH-IBGZPJMESA-N 1 0 312.388 4.085 20 30 DIEDRO CC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cccc(C#N)c1 ZINC000902816617 1046077746 /nfs/dbraw/zinc/07/77/46/1046077746.db2.gz QKIHQLOWULJYKR-WOJBJXKFSA-N 1 0 308.425 4.113 20 30 DIEDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(C#N)c1 ZINC000902849326 1046086696 /nfs/dbraw/zinc/08/66/96/1046086696.db2.gz LGJBOBWKDVRMDR-HKBOAZHASA-N 1 0 320.436 4.377 20 30 DIEDRO CCOc1cccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001138102371 1046090616 /nfs/dbraw/zinc/09/06/16/1046090616.db2.gz IRYNMBWKJAHIPW-UHFFFAOYSA-N 1 0 320.436 4.337 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cccc(C#N)c1 ZINC000756624200 1046112502 /nfs/dbraw/zinc/11/25/02/1046112502.db2.gz DOVIQGYVGXTRPY-HSMVNMDESA-N 1 0 310.372 4.302 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCC[C@H](C4CCOCC4)C3)CC2)c1 ZINC000902919231 1046114298 /nfs/dbraw/zinc/11/42/98/1046114298.db2.gz DKRZWUFIWXKGIY-AZUAARDMSA-N 1 0 324.468 4.122 20 30 DIEDRO Cc1ccc([C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CCC2)o1 ZINC000756688265 1046122553 /nfs/dbraw/zinc/12/25/53/1046122553.db2.gz ZMRFHYDRHVGCQY-IBGZPJMESA-N 1 0 310.397 4.121 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C)c1nccs1)[C@]1(C)CCCCO1 ZINC000902951296 1046125020 /nfs/dbraw/zinc/12/50/20/1046125020.db2.gz MZOWNGBZCXCXMN-ZOBUZTSGSA-N 1 0 308.491 4.130 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902966311 1046132682 /nfs/dbraw/zinc/13/26/82/1046132682.db2.gz DCDKQLWIQLIGHS-IEZWGBDMSA-N 1 0 305.425 4.015 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000902978325 1046136199 /nfs/dbraw/zinc/13/61/99/1046136199.db2.gz CWHCAWZHBYKLQK-GYSYKLTISA-N 1 0 319.392 4.399 20 30 DIEDRO CC[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1cccc(C#N)c1 ZINC000902987433 1046137045 /nfs/dbraw/zinc/13/70/45/1046137045.db2.gz IBBCXYJQILOIRN-GOSISDBHSA-N 1 0 305.425 4.116 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](CCc2cccnc2)c2ccccc2)C1 ZINC000903006433 1046139081 /nfs/dbraw/zinc/13/90/81/1046139081.db2.gz HNIBBLFZHJHWOK-DZFGPLHGSA-N 1 0 319.452 4.427 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@H](CCc1cccnc1)c1ccccc1 ZINC000903018087 1046143496 /nfs/dbraw/zinc/14/34/96/1046143496.db2.gz XBWBKUMFRSOPDY-LJQANCHMSA-N 1 0 307.441 4.285 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000903025522 1046145233 /nfs/dbraw/zinc/14/52/33/1046145233.db2.gz DVECSWZJIKGSPI-VWYCJHECSA-N 1 0 305.365 4.009 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903047853 1046147000 /nfs/dbraw/zinc/14/70/00/1046147000.db2.gz FMFODDYEYOSVOV-LLVKDONJSA-N 1 0 304.381 4.060 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCC1SCCS1)[C@]1(C)CCCCO1 ZINC000903056695 1046150161 /nfs/dbraw/zinc/15/01/61/1046150161.db2.gz RFWQWAAINZYNCI-ZBFHGGJFSA-N 1 0 315.548 4.066 20 30 DIEDRO C#CC[N@H+](Cc1ccc(OCc2ccccn2)cc1)C1CCCC1 ZINC000756912289 1046151525 /nfs/dbraw/zinc/15/15/25/1046151525.db2.gz OZLGJLFGYPBXDM-UHFFFAOYSA-N 1 0 320.436 4.038 20 30 DIEDRO CCOC1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138335849 1046152652 /nfs/dbraw/zinc/15/26/52/1046152652.db2.gz DFPJSSALEGSSIN-UHFFFAOYSA-N 1 0 319.448 4.087 20 30 DIEDRO FC1(F)C[C@@]12CC[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001138336166 1046153212 /nfs/dbraw/zinc/15/32/12/1046153212.db2.gz LOQSWYJMBUTPPO-HXUWFJFHSA-N 1 0 323.386 4.318 20 30 DIEDRO CO[C@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336696 1046153481 /nfs/dbraw/zinc/15/34/81/1046153481.db2.gz WHFSTIJPBRLLTN-QFIPXVFZSA-N 1 0 319.448 4.087 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000831624405 1046153528 /nfs/dbraw/zinc/15/35/28/1046153528.db2.gz VRQWOPYJMZCJOB-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO C#CCOc1ccc(C[N@H+](CCC)Cc2ccccc2)cc1OC ZINC001138346017 1046155415 /nfs/dbraw/zinc/15/54/15/1046155415.db2.gz ULKBOOCKYRPEKS-UHFFFAOYSA-N 1 0 323.436 4.119 20 30 DIEDRO CC[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cccc(C#N)c1 ZINC000903076926 1046156949 /nfs/dbraw/zinc/15/69/49/1046156949.db2.gz CZLGCTDZAYJYLB-RTBURBONSA-N 1 0 312.457 4.338 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccccc1 ZINC000756997220 1046157229 /nfs/dbraw/zinc/15/72/29/1046157229.db2.gz WJWTYPRKDMHUQE-IBGZPJMESA-N 1 0 305.421 4.254 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1csc(Br)c1)c1ccccc1 ZINC000756995438 1046157635 /nfs/dbraw/zinc/15/76/35/1046157635.db2.gz HZRLOTPYTGBKDW-AWEZNQCLSA-N 1 0 320.255 4.365 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000756997620 1046157938 /nfs/dbraw/zinc/15/79/38/1046157938.db2.gz ZJYRBCDIUBIPDR-SFHVURJKSA-N 1 0 319.433 4.059 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000756996731 1046158387 /nfs/dbraw/zinc/15/83/87/1046158387.db2.gz RCKGBKKCUTUGMG-INIZCTEOSA-N 1 0 314.772 4.102 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1cccc(COC(C)=O)c1)c1ccncc1 ZINC000903097062 1046163170 /nfs/dbraw/zinc/16/31/70/1046163170.db2.gz BUQJMTMBUWGFTI-QRWLVFNGSA-N 1 0 324.424 4.113 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)c1ccncc1 ZINC000903097234 1046163490 /nfs/dbraw/zinc/16/34/90/1046163490.db2.gz DEVODTLMAFGYAP-BEFAXECRSA-N 1 0 310.445 4.046 20 30 DIEDRO N#CC1(C[NH2+][C@@H](CCc2ccccc2)c2cccnc2)CCCC1 ZINC000903110026 1046168194 /nfs/dbraw/zinc/16/81/94/1046168194.db2.gz ZBSVUWAMXPFARQ-FQEVSTJZSA-N 1 0 319.452 4.429 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc(Cl)c1 ZINC000903151025 1046176544 /nfs/dbraw/zinc/17/65/44/1046176544.db2.gz AFIDNABSHXPVIG-DLBZAZTESA-N 1 0 315.848 4.148 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1C ZINC000903233118 1046200381 /nfs/dbraw/zinc/20/03/81/1046200381.db2.gz ADNXXYXLZILKLM-HZPDHXFCSA-N 1 0 324.424 4.318 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(Cl)c1OC)c1ccc(C#N)cc1 ZINC000903247149 1046206401 /nfs/dbraw/zinc/20/64/01/1046206401.db2.gz TYDSFFNUJLOHTP-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC001138559063 1046224913 /nfs/dbraw/zinc/22/49/13/1046224913.db2.gz NOUSDJDKLHNOSF-HXUWFJFHSA-N 1 0 309.384 4.175 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)cc1 ZINC001138559644 1046226366 /nfs/dbraw/zinc/22/63/66/1046226366.db2.gz ZMIXENBCXMDQQH-HXUWFJFHSA-N 1 0 309.384 4.175 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)C1 ZINC000903297740 1046228387 /nfs/dbraw/zinc/22/83/87/1046228387.db2.gz JMZVFBJVGNAMBC-UWJYYQICSA-N 1 0 319.452 4.390 20 30 DIEDRO N#Cc1ccc(F)cc1NCC1([NH+]2CCCCC2)CCCCC1 ZINC001649178606 1046233899 /nfs/dbraw/zinc/23/38/99/1046233899.db2.gz CUWGIICQZISPKR-UHFFFAOYSA-N 1 0 315.436 4.298 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCC3(CCCC3)C2)cc1 ZINC000783745380 1046234526 /nfs/dbraw/zinc/23/45/26/1046234526.db2.gz MQBNXBCHTDSELC-UHFFFAOYSA-N 1 0 311.473 4.193 20 30 DIEDRO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000245512509 1046239510 /nfs/dbraw/zinc/23/95/10/1046239510.db2.gz AARVPASWQYZVNT-HZPDHXFCSA-N 1 0 324.424 4.266 20 30 DIEDRO COc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](CC#N)C3)c2)cc1 ZINC001138614703 1046240726 /nfs/dbraw/zinc/24/07/26/1046240726.db2.gz DUJTYTXWUQEMGV-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000245544274 1046242303 /nfs/dbraw/zinc/24/23/03/1046242303.db2.gz RUVGPCOCLZVXGI-XLIONFOSSA-N 1 0 320.436 4.042 20 30 DIEDRO COc1ccc(-c2cccc(C[NH+]3CCC(S)CC3)c2)cc1 ZINC001138614633 1046242501 /nfs/dbraw/zinc/24/25/01/1046242501.db2.gz BTWWRHSYXNBHAP-UHFFFAOYSA-N 1 0 313.466 4.256 20 30 DIEDRO COc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](CC#N)C3)c2)cc1 ZINC001138614702 1046242667 /nfs/dbraw/zinc/24/26/67/1046242667.db2.gz DUJTYTXWUQEMGV-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)N(CCC#N)Cc1cccnc1 ZINC001168170522 1046243267 /nfs/dbraw/zinc/24/32/67/1046243267.db2.gz MOJMNAYPUPBQDB-HNNXBMFYSA-N 1 0 313.832 4.082 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1C ZINC000897415360 1046249141 /nfs/dbraw/zinc/24/91/41/1046249141.db2.gz ZCTHBEHVTNNSAA-MRXNPFEDSA-N 1 0 320.436 4.410 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CCSc3ccccc3C2)c1O ZINC001138630000 1046250085 /nfs/dbraw/zinc/25/00/85/1046250085.db2.gz MZXOFAAUZFTTQA-UHFFFAOYSA-N 1 0 311.450 4.229 20 30 DIEDRO C[N@H+](Cc1cccn1-c1ccccc1F)Cc1cccc(C#N)c1 ZINC001138635743 1046252867 /nfs/dbraw/zinc/25/28/67/1046252867.db2.gz HONBEKBXOSLYHG-UHFFFAOYSA-N 1 0 319.383 4.120 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001138664637 1046259163 /nfs/dbraw/zinc/25/91/63/1046259163.db2.gz SRHRUJFHHVDFLK-GOSISDBHSA-N 1 0 308.425 4.026 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+](CC)Cc1ccccc1O ZINC001138665669 1046259631 /nfs/dbraw/zinc/25/96/31/1046259631.db2.gz SFJRUPXXHGLOOW-UHFFFAOYSA-N 1 0 311.425 4.369 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H]1C(C)(C)OC ZINC001138665730 1046259949 /nfs/dbraw/zinc/25/99/49/1046259949.db2.gz VSNNDYGCBCQQFI-SFHVURJKSA-N 1 0 303.446 4.031 20 30 DIEDRO C=C(C)COc1ccccc1C[NH+]1CCC(OCCC)CC1 ZINC001138663977 1046261140 /nfs/dbraw/zinc/26/11/40/1046261140.db2.gz HFCGQBMCNJEQDS-UHFFFAOYSA-N 1 0 303.446 4.033 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001138662237 1046261161 /nfs/dbraw/zinc/26/11/61/1046261161.db2.gz QZKAHUOFLBYUHA-IYBDPMFKSA-N 1 0 307.384 4.119 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)cc1 ZINC000245718266 1046261613 /nfs/dbraw/zinc/26/16/13/1046261613.db2.gz HMLQTPBKZKFWDP-MBOZVWFJSA-N 1 0 320.436 4.355 20 30 DIEDRO C#CCCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000758496168 1046273228 /nfs/dbraw/zinc/27/32/28/1046273228.db2.gz BTJRHMRQRJOVBN-UHFFFAOYSA-N 1 0 309.837 4.031 20 30 DIEDRO C#CCCCC[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000758498082 1046273690 /nfs/dbraw/zinc/27/36/90/1046273690.db2.gz ZPLWIENDHMILCC-UHFFFAOYSA-N 1 0 323.436 4.264 20 30 DIEDRO C#CCCCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000758497336 1046273746 /nfs/dbraw/zinc/27/37/46/1046273746.db2.gz OLQCSCVYCHENBF-UHFFFAOYSA-N 1 0 303.352 4.334 20 30 DIEDRO C#CCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000758495499 1046273991 /nfs/dbraw/zinc/27/39/91/1046273991.db2.gz KKECKECIOMBHHO-UHFFFAOYSA-N 1 0 323.436 4.167 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903428350 1046278076 /nfs/dbraw/zinc/27/80/76/1046278076.db2.gz NSEKWGNMQIHWHY-RTWAWAEBSA-N 1 0 317.436 4.462 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000089553889 1046288597 /nfs/dbraw/zinc/28/85/97/1046288597.db2.gz WOWXTPVLPFGPQG-LSDHHAIUSA-N 1 0 301.352 4.073 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1ccnn1[C@H]1CCCCO1 ZINC001138779466 1046292084 /nfs/dbraw/zinc/29/20/84/1046292084.db2.gz KOOPDIJXAYGDPX-GOSISDBHSA-N 1 0 307.482 4.375 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000246065796 1046298221 /nfs/dbraw/zinc/29/82/21/1046298221.db2.gz ROSHNAIGPSNKAY-LEWJYISDSA-N 1 0 320.436 4.046 20 30 DIEDRO Cn1c2ccccc2c2cc(C[NH+]3CCC(C#N)CC3)ccc21 ZINC001138914278 1046326057 /nfs/dbraw/zinc/32/60/57/1046326057.db2.gz CWZXVMNDKRTKHN-UHFFFAOYSA-N 1 0 303.409 4.067 20 30 DIEDRO Cn1c2ccccc2c2cc(C[NH+]3CCC(S)CC3)ccc21 ZINC001138918648 1046327518 /nfs/dbraw/zinc/32/75/18/1046327518.db2.gz LVGWOPOGTOHIGG-UHFFFAOYSA-N 1 0 310.466 4.226 20 30 DIEDRO CCCCOc1cccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001138952872 1046338743 /nfs/dbraw/zinc/33/87/43/1046338743.db2.gz ZRUSTWPLAFIFQT-UHFFFAOYSA-N 1 0 320.436 4.295 20 30 DIEDRO CC(C)COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC001138971028 1046345867 /nfs/dbraw/zinc/34/58/67/1046345867.db2.gz DPFQTSUYOSZCIB-UHFFFAOYSA-N 1 0 308.425 4.225 20 30 DIEDRO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)c2cccc(C#N)c2)o1 ZINC000248892797 1046354882 /nfs/dbraw/zinc/35/48/82/1046354882.db2.gz FYCJOLNJHIUACM-KDOFPFPSSA-N 1 0 310.397 4.196 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000246448317 1046357713 /nfs/dbraw/zinc/35/77/13/1046357713.db2.gz VAQWEXITFWJXRO-ZTFGCOKTSA-N 1 0 318.486 4.131 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001139030066 1046363587 /nfs/dbraw/zinc/36/35/87/1046363587.db2.gz FPJPJDOZQJLSTM-HDICACEKSA-N 1 0 305.421 4.338 20 30 DIEDRO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001139036450 1046367802 /nfs/dbraw/zinc/36/78/02/1046367802.db2.gz PSPHDDZCNDPGEC-KRWDZBQOSA-N 1 0 320.436 4.488 20 30 DIEDRO C#CC[N@H+](Cc1ccc2cccnc2c1)[C@@H]1CCc2ccccc21 ZINC001139168664 1046399778 /nfs/dbraw/zinc/39/97/78/1046399778.db2.gz UJISAPPGIVJOIW-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000780726756 1046399860 /nfs/dbraw/zinc/39/98/60/1046399860.db2.gz NTNREMMRELOIJC-MAUKXSAKSA-N 1 0 323.440 4.176 20 30 DIEDRO CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000780726751 1046400248 /nfs/dbraw/zinc/40/02/48/1046400248.db2.gz NTNREMMRELOIJC-CRAIPNDOSA-N 1 0 323.440 4.176 20 30 DIEDRO C=CC1CC[NH+](Cc2nnc(-c3cccc4ccccc43)o2)CC1 ZINC000639485341 1046404591 /nfs/dbraw/zinc/40/45/91/1046404591.db2.gz JNSRBRNUAWRDEO-UHFFFAOYSA-N 1 0 319.408 4.288 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc2cc(Br)ccc2[nH]1 ZINC001139184782 1046404725 /nfs/dbraw/zinc/40/47/25/1046404725.db2.gz HLGAMXUXOMWZJU-UHFFFAOYSA-N 1 0 307.235 4.328 20 30 DIEDRO N#CCC[N@H+](Cc1ccc2nonc2c1)C1CCCCCCC1 ZINC001139221189 1046416978 /nfs/dbraw/zinc/41/69/78/1046416978.db2.gz DQUJQCFBTPLYOV-UHFFFAOYSA-N 1 0 312.417 4.051 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(Br)cc1N1CCCCC1 ZINC001139254437 1046418767 /nfs/dbraw/zinc/41/87/67/1046418767.db2.gz WHBOUMGXMCFJCA-UHFFFAOYSA-N 1 0 323.278 4.057 20 30 DIEDRO N#CCCC[C@H]([NH2+]CC(=O)c1ccccc1F)c1ccccc1 ZINC000639654250 1046420091 /nfs/dbraw/zinc/42/00/91/1046420091.db2.gz IKMPQCAEXBNKCN-SFHVURJKSA-N 1 0 310.372 4.033 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1c(N)c(OC)ccc1OC ZINC001139272766 1046422606 /nfs/dbraw/zinc/42/26/06/1046422606.db2.gz GXUPOHKVMJIOOF-UHFFFAOYSA-N 1 0 308.466 4.078 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CC)c2c(C)noc2C)cc1 ZINC000090887370 1046427724 /nfs/dbraw/zinc/42/77/24/1046427724.db2.gz WSLLHWGGZOSYNG-FZKQIMNGSA-N 1 0 312.413 4.105 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2cc(O)ccc2c1 ZINC001139337971 1046431247 /nfs/dbraw/zinc/43/12/47/1046431247.db2.gz LKCGTPJUOZOONT-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000749129736 1046431630 /nfs/dbraw/zinc/43/16/30/1046431630.db2.gz SUHKBOSBOGCNAZ-MAUKXSAKSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(OC)c2)c1 ZINC000749129399 1046432217 /nfs/dbraw/zinc/43/22/17/1046432217.db2.gz QZLJJALFHHRXQC-QAPCUYQASA-N 1 0 324.424 4.227 20 30 DIEDRO C[C@@H](C=[NH+]n1cnnc1-c1ccccc1)CCc1ccccc1 ZINC000749158791 1046435138 /nfs/dbraw/zinc/43/51/38/1046435138.db2.gz RVUDIRRCNFOCPL-MRXNPFEDSA-N 1 0 304.397 4.048 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000781420203 1046442336 /nfs/dbraw/zinc/44/23/36/1046442336.db2.gz JBBYCTSJGKHWKZ-STQMWFEESA-N 1 0 300.352 4.291 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1)c1ccc(C#N)cc1F ZINC000781420392 1046443333 /nfs/dbraw/zinc/44/33/33/1046443333.db2.gz JWFOVIIGMZCYEU-AWEZNQCLSA-N 1 0 314.429 4.281 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)cc2)c1 ZINC001139402833 1046443439 /nfs/dbraw/zinc/44/34/39/1046443439.db2.gz YSRZMQUVYHFOQJ-UYAOXDASSA-N 1 0 317.436 4.242 20 30 DIEDRO C[C@@]1(F)CCC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139400045 1046443918 /nfs/dbraw/zinc/44/39/18/1046443918.db2.gz DDBUBWQAACUPTI-HXUWFJFHSA-N 1 0 323.415 4.334 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CC4CCC(CC4)C3)cc2)c1 ZINC001139405541 1046443991 /nfs/dbraw/zinc/44/39/91/1046443991.db2.gz TWIFVCGVPLAXGB-UHFFFAOYSA-N 1 0 317.436 4.242 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000781421890 1046444542 /nfs/dbraw/zinc/44/45/42/1046444542.db2.gz ILHAOFYKYNUJHY-BUIAKZPTSA-N 1 0 300.446 4.282 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)[C@@H](C)C1 ZINC001139407169 1046445545 /nfs/dbraw/zinc/44/55/45/1046445545.db2.gz SMSWJGTWUVPWDT-CVEARBPZSA-N 1 0 305.425 4.241 20 30 DIEDRO CCC1CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139426975 1046448380 /nfs/dbraw/zinc/44/83/80/1046448380.db2.gz PMICMVDAMRJANA-UHFFFAOYSA-N 1 0 321.424 4.368 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCC4(CC4)CC3)cn2)cc1 ZINC001139426612 1046449272 /nfs/dbraw/zinc/44/92/72/1046449272.db2.gz GZCMYXQQTMBHGY-UHFFFAOYSA-N 1 0 319.408 4.122 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@H+](CC3CC3)C3CC3)cn2)cc1 ZINC001139428889 1046451252 /nfs/dbraw/zinc/45/12/52/1046451252.db2.gz PIAOSJSDIXNCED-UHFFFAOYSA-N 1 0 319.408 4.120 20 30 DIEDRO N#CCC1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000781571198 1046457631 /nfs/dbraw/zinc/45/76/31/1046457631.db2.gz HSMHGZMLHIHELF-UHFFFAOYSA-N 1 0 320.392 4.417 20 30 DIEDRO C=CC[N@@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC001139523890 1046463586 /nfs/dbraw/zinc/46/35/86/1046463586.db2.gz UXYFOOACLKRVBH-UHFFFAOYSA-N 1 0 300.402 4.042 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]c2ncc(C(F)(F)F)cc12)C(C)(C)C ZINC001139543332 1046468525 /nfs/dbraw/zinc/46/85/25/1046468525.db2.gz XLMMJROWQPGDAJ-UHFFFAOYSA-N 1 0 311.351 4.368 20 30 DIEDRO C=CC[C@H](C)[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000781906257 1046484694 /nfs/dbraw/zinc/48/46/94/1046484694.db2.gz WKVQRBQWSPKWFM-DZIBYMRMSA-N 1 0 301.474 4.494 20 30 DIEDRO COc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc1C(C)C ZINC001139614973 1046486190 /nfs/dbraw/zinc/48/61/90/1046486190.db2.gz KMKPJVSDALIONS-UHFFFAOYSA-N 1 0 320.436 4.249 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000781914285 1046486458 /nfs/dbraw/zinc/48/64/58/1046486458.db2.gz WMFACJDYJWJVLD-QRWLVFNGSA-N 1 0 306.409 4.060 20 30 DIEDRO N#CCC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000781927280 1046487564 /nfs/dbraw/zinc/48/75/64/1046487564.db2.gz MEXHJFMYTYJRLB-UHFFFAOYSA-N 1 0 306.409 4.185 20 30 DIEDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1 ZINC000781929186 1046488083 /nfs/dbraw/zinc/48/80/83/1046488083.db2.gz GUOWETRWLGTHRQ-PXNSSMCTSA-N 1 0 311.473 4.049 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000127873053 1046488516 /nfs/dbraw/zinc/48/85/16/1046488516.db2.gz MMAHNVDOEIUPCR-OAHLLOKOSA-N 1 0 311.429 4.337 20 30 DIEDRO CC(C)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000781981309 1046490618 /nfs/dbraw/zinc/49/06/18/1046490618.db2.gz KCNRCJXZVSVPBV-AWEZNQCLSA-N 1 0 306.837 4.110 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000247621368 1046492757 /nfs/dbraw/zinc/49/27/57/1046492757.db2.gz NFUFCVPOVGAFTR-RTBURBONSA-N 1 0 324.424 4.020 20 30 DIEDRO N#Cc1cccc2c(C[N@H+](Cc3ccccc3)C3CC3)c[nH]c21 ZINC001139706492 1046500789 /nfs/dbraw/zinc/50/07/89/1046500789.db2.gz WFTXNZYCXSHTOC-UHFFFAOYSA-N 1 0 301.393 4.204 20 30 DIEDRO N#Cc1cccc2c(C[N@H+]3CC[C@H](c4ccc(F)cc4)C3)c[nH]c21 ZINC001139706293 1046502479 /nfs/dbraw/zinc/50/24/79/1046502479.db2.gz PZVAUNPRHXUGLW-INIZCTEOSA-N 1 0 319.383 4.168 20 30 DIEDRO COc1ccc(C2=CC[N@H+](Cc3ccc(C)c(C#N)c3)CC2)cc1 ZINC001139727593 1046507145 /nfs/dbraw/zinc/50/71/45/1046507145.db2.gz WCZCPRVDUQOZQN-UHFFFAOYSA-N 1 0 318.420 4.165 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)cc1 ZINC001139724192 1046507177 /nfs/dbraw/zinc/50/71/77/1046507177.db2.gz MWVNPDAGQIJAFR-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1C#N ZINC001139724363 1046507383 /nfs/dbraw/zinc/50/73/83/1046507383.db2.gz PYVHTEQNRGPDSU-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC001202964847 1046511390 /nfs/dbraw/zinc/51/13/90/1046511390.db2.gz UHPDUECSYLHHOE-UHFFFAOYSA-N 1 0 322.305 4.200 20 30 DIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000536594877 1046512694 /nfs/dbraw/zinc/51/26/94/1046512694.db2.gz XCWFLZBMNYLJNB-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCCCCCCCCC[N@H+](C)Cc1cnn(CCOC)c1 ZINC001139783896 1046516621 /nfs/dbraw/zinc/51/66/21/1046516621.db2.gz UTLVXMBWIZRPNN-UHFFFAOYSA-N 1 0 309.498 4.102 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCCC[C@H]21 ZINC000782501865 1046529978 /nfs/dbraw/zinc/52/99/78/1046529978.db2.gz AVCWUZQLQOCNJQ-XOKHGSTOSA-N 1 0 318.848 4.253 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(C#N)c2)cc1 ZINC001139874774 1046539507 /nfs/dbraw/zinc/53/95/07/1046539507.db2.gz LPUHMVVXUGJLJF-IBGZPJMESA-N 1 0 310.372 4.043 20 30 DIEDRO COc1ccccc1C1CC[NH+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139875566 1046539579 /nfs/dbraw/zinc/53/95/79/1046539579.db2.gz URAKGCPMPSBXCQ-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO COc1cccc([C@H]2CCC[N@H+](Cc3cc(F)cc(C#N)c3)C2)c1 ZINC001139878455 1046540779 /nfs/dbraw/zinc/54/07/79/1046540779.db2.gz MBIXKVUPLLLOIA-SFHVURJKSA-N 1 0 324.399 4.086 20 30 DIEDRO N#Cc1cc(F)cc(C[N@H+](Cc2ccccn2)C2CCCCC2)c1 ZINC001139876403 1046540884 /nfs/dbraw/zinc/54/08/84/1046540884.db2.gz WDERLBNNEMJSAT-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134458398 1046547302 /nfs/dbraw/zinc/54/73/02/1046547302.db2.gz KYGCTDUNJUESGZ-LLVKDONJSA-N 1 0 317.380 4.035 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000642095247 1046562233 /nfs/dbraw/zinc/56/22/33/1046562233.db2.gz MXKYZLSPOPYAEU-AWEZNQCLSA-N 1 0 320.502 4.270 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c4ccccc4sc32)nc1 ZINC000783294378 1046574527 /nfs/dbraw/zinc/57/45/27/1046574527.db2.gz OUKOIDRRXJMOOH-KRWDZBQOSA-N 1 0 319.433 4.335 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)cc1 ZINC000729682050 1046575353 /nfs/dbraw/zinc/57/53/53/1046575353.db2.gz SWGZKYMWWTWBJS-HUUCEWRRSA-N 1 0 312.388 4.010 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2)cc1 ZINC000729682051 1046575610 /nfs/dbraw/zinc/57/56/10/1046575610.db2.gz SWGZKYMWWTWBJS-LSDHHAIUSA-N 1 0 312.388 4.010 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CCCCC(C)(C)C)cc1 ZINC000729678617 1046575798 /nfs/dbraw/zinc/57/57/98/1046575798.db2.gz AWRZQVWBGCMTSH-UHFFFAOYSA-N 1 0 301.478 4.342 20 30 DIEDRO CSc1nccc(CN(CCC#N)C2CCCCCCC2)n1 ZINC001140037697 1046576327 /nfs/dbraw/zinc/57/63/27/1046576327.db2.gz BMPMXAFBQUHLAC-UHFFFAOYSA-N 1 0 318.490 4.027 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(F)cc1 ZINC000729682048 1046576518 /nfs/dbraw/zinc/57/65/18/1046576518.db2.gz SWGZKYMWWTWBJS-GJZGRUSLSA-N 1 0 312.388 4.010 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(-c2ccccc2)c1 ZINC000783300785 1046577740 /nfs/dbraw/zinc/57/77/40/1046577740.db2.gz QPFOYVBVQVTBHM-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000783312099 1046579147 /nfs/dbraw/zinc/57/91/47/1046579147.db2.gz ZQLDEDVZGJSONR-WMLDXEAASA-N 1 0 307.821 4.161 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000783328434 1046583157 /nfs/dbraw/zinc/58/31/57/1046583157.db2.gz BBMJZFHRSQDCQQ-SWLSCSKDSA-N 1 0 314.351 4.217 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cnc(-c3ccc(F)cc3)s2)CC1 ZINC001140096894 1046588746 /nfs/dbraw/zinc/58/87/46/1046588746.db2.gz JQJIRPYNMPHYLU-UHFFFAOYSA-N 1 0 315.417 4.075 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC(c4cccs4)CC3)c2c1 ZINC001140113701 1046590847 /nfs/dbraw/zinc/59/08/47/1046590847.db2.gz CCMFCQZGBYPEJS-UHFFFAOYSA-N 1 0 321.449 4.481 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H]3c3ccccc3)c2c1 ZINC001140113648 1046591647 /nfs/dbraw/zinc/59/16/47/1046591647.db2.gz BGWNVTPOAJOVHD-FQEVSTJZSA-N 1 0 301.393 4.377 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H](c4ccccc4)C3)c2c1 ZINC001140109949 1046591867 /nfs/dbraw/zinc/59/18/67/1046591867.db2.gz BQMDJVQLOVYFIK-KRWDZBQOSA-N 1 0 301.393 4.029 20 30 DIEDRO CC1(C)C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ccccc21 ZINC001140116073 1046595483 /nfs/dbraw/zinc/59/54/83/1046595483.db2.gz QGUOSNDHZAHKPD-UHFFFAOYSA-N 1 0 315.420 4.333 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1F ZINC001140115292 1046595683 /nfs/dbraw/zinc/59/56/83/1046595683.db2.gz TVFWXLBODQFXGH-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(OCC#N)cc1 ZINC000729686047 1046599839 /nfs/dbraw/zinc/59/98/39/1046599839.db2.gz ULVGRVCTCSNAMD-QWQRMKEZSA-N 1 0 310.397 4.156 20 30 DIEDRO Cc1ccccc1[C@H]1C[N@H+](CCCC(C)(C)C#N)[C@@H](C)CO1 ZINC000245412091 1046604980 /nfs/dbraw/zinc/60/49/80/1046604980.db2.gz ZWQFCUQFGDSBDG-FUHWJXTLSA-N 1 0 300.446 4.087 20 30 DIEDRO Cc1ccccc1[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@@H](C)CO1 ZINC000245412092 1046605879 /nfs/dbraw/zinc/60/58/79/1046605879.db2.gz ZWQFCUQFGDSBDG-WMZOPIPTSA-N 1 0 300.446 4.087 20 30 DIEDRO C=CCOc1ccc(C[NH+]2C3CCCC2CCC3)cc1OC ZINC000678278697 1046608195 /nfs/dbraw/zinc/60/81/95/1046608195.db2.gz FUXSPBQRZPQECB-UHFFFAOYSA-N 1 0 301.430 4.167 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000783592756 1046613989 /nfs/dbraw/zinc/61/39/89/1046613989.db2.gz JGZGTBKIZVWNLX-UXPWSPDFSA-N 1 0 311.473 4.047 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000834435405 1046617440 /nfs/dbraw/zinc/61/74/40/1046617440.db2.gz CWJGMRMLEMHGLK-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cnccc2C)cc1Cl ZINC000678362848 1046627672 /nfs/dbraw/zinc/62/76/72/1046627672.db2.gz QZGDTISLXUOZMN-AWEZNQCLSA-N 1 0 316.832 4.459 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1ccc(C)nc1C)C(C)C ZINC000678412575 1046630540 /nfs/dbraw/zinc/63/05/40/1046630540.db2.gz XPABCROMNPVWKD-XLIONFOSSA-N 1 0 315.505 4.048 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000532968125 1046633011 /nfs/dbraw/zinc/63/30/11/1046633011.db2.gz UISLNFRJRMNEFN-MRXNPFEDSA-N 1 0 302.462 4.254 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC001140296539 1046643509 /nfs/dbraw/zinc/64/35/09/1046643509.db2.gz SHUABFSAQXTSML-CYBMUJFWSA-N 1 0 316.857 4.309 20 30 DIEDRO C=C(C)[C@@H](CO)[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000643407696 1046665681 /nfs/dbraw/zinc/66/56/81/1046665681.db2.gz ANYQNKCTZOZAIY-OAHLLOKOSA-N 1 0 314.256 4.110 20 30 DIEDRO N#CCc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000784156782 1046667333 /nfs/dbraw/zinc/66/73/33/1046667333.db2.gz FTSDNXGCJDANLG-UHFFFAOYSA-N 1 0 320.436 4.403 20 30 DIEDRO C=CCC1(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CCCCC1 ZINC000834776253 1046667673 /nfs/dbraw/zinc/66/76/73/1046667673.db2.gz UGTTVKDJROZEAI-UHFFFAOYSA-N 1 0 318.505 4.036 20 30 DIEDRO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000784159438 1046669200 /nfs/dbraw/zinc/66/92/00/1046669200.db2.gz PIQUZNMYVCCATO-WWMYMODYSA-N 1 0 320.436 4.103 20 30 DIEDRO Cc1noc(C)c1CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000795796506 1046680172 /nfs/dbraw/zinc/68/01/72/1046680172.db2.gz APEAXOJXZHMQPC-FQEVSTJZSA-N 1 0 323.440 4.153 20 30 DIEDRO C[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000533287855 1046686490 /nfs/dbraw/zinc/68/64/90/1046686490.db2.gz BJQCBKSVODQHKI-OAHLLOKOSA-N 1 0 308.450 4.163 20 30 DIEDRO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CC=CCC1 ZINC000784386347 1046688196 /nfs/dbraw/zinc/68/81/96/1046688196.db2.gz WNBJWAOUJPCGBE-CQSZACIVSA-N 1 0 304.821 4.030 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000678715866 1046689239 /nfs/dbraw/zinc/68/92/39/1046689239.db2.gz GSYCQHNAIMEVBZ-DCAQKATOSA-N 1 0 303.290 4.404 20 30 DIEDRO CC[N@H+](CC[C@@H](O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000795866004 1046689319 /nfs/dbraw/zinc/68/93/19/1046689319.db2.gz GCEAKQPHKXEBKG-OXJNMPFZSA-N 1 0 308.425 4.065 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000533309299 1046690066 /nfs/dbraw/zinc/69/00/66/1046690066.db2.gz DVGILCOYIDNYGC-UXHICEINSA-N 1 0 324.399 4.016 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784485576 1046691875 /nfs/dbraw/zinc/69/18/75/1046691875.db2.gz RHECYNFQWUISON-AWEZNQCLSA-N 1 0 310.363 4.435 20 30 DIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000533299350 1046692441 /nfs/dbraw/zinc/69/24/41/1046692441.db2.gz IHLUEIOMLROMMP-LLVKDONJSA-N 1 0 315.244 4.218 20 30 DIEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000784507893 1046693739 /nfs/dbraw/zinc/69/37/39/1046693739.db2.gz BDIFSPAESRJOTK-AWEZNQCLSA-N 1 0 306.837 4.110 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)c1 ZINC000784546711 1046696615 /nfs/dbraw/zinc/69/66/15/1046696615.db2.gz XBROZNZCPONANL-RYQLBKOJSA-N 1 0 300.446 4.283 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ncc(C#N)cc1Cl ZINC001211989483 1046707023 /nfs/dbraw/zinc/70/70/23/1046707023.db2.gz RJWCFMXAVNNUKP-UHFFFAOYSA-N 1 0 314.820 4.192 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](C)c2ccc(OCC)c(OCC)c2)c1 ZINC000834902043 1046714241 /nfs/dbraw/zinc/71/42/41/1046714241.db2.gz CZNWCIZESYBPHG-MRXNPFEDSA-N 1 0 323.436 4.316 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000834902356 1046714531 /nfs/dbraw/zinc/71/45/31/1046714531.db2.gz HCYWXPCJTMDUCY-IBGZPJMESA-N 1 0 303.405 4.204 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1C ZINC000834904072 1046715517 /nfs/dbraw/zinc/71/55/17/1046715517.db2.gz VHMBJPXXHCNSBE-AWEZNQCLSA-N 1 0 312.388 4.174 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1C ZINC000834904085 1046716424 /nfs/dbraw/zinc/71/64/24/1046716424.db2.gz VHMBJPXXHCNSBE-CQSZACIVSA-N 1 0 312.388 4.174 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000834907603 1046716506 /nfs/dbraw/zinc/71/65/06/1046716506.db2.gz XMPKGZLBYSKYAA-XIRDDKMYSA-N 1 0 322.493 4.014 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(Cl)cnc1C#N ZINC001211991789 1046725542 /nfs/dbraw/zinc/72/55/42/1046725542.db2.gz NEARVAMYBSTDDO-UHFFFAOYSA-N 1 0 314.820 4.192 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000533446306 1046726733 /nfs/dbraw/zinc/72/67/33/1046726733.db2.gz PAXGAWUQZRDZFG-TZMCWYRMSA-N 1 0 314.326 4.156 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000533446291 1046727568 /nfs/dbraw/zinc/72/75/68/1046727568.db2.gz PAXGAWUQZRDZFG-GXTWGEPZSA-N 1 0 314.326 4.156 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1cc(C#N)ccc1F ZINC000796824710 1046740503 /nfs/dbraw/zinc/74/05/03/1046740503.db2.gz ACPFLOGMUAOBFY-GFCCVEGCSA-N 1 0 318.342 4.086 20 30 DIEDRO COc1ccc(C[NH2+][C@H](CCC(C)C)c2ccoc2)cc1C#N ZINC000796837200 1046741787 /nfs/dbraw/zinc/74/17/87/1046741787.db2.gz OSDHNFYDKJJEMX-GOSISDBHSA-N 1 0 312.413 4.427 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(C#N)cc1OC ZINC001211994319 1046750518 /nfs/dbraw/zinc/75/05/18/1046750518.db2.gz SSEBLVUIBLZWEP-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1c(F)cc(F)cc1C#N ZINC001211995931 1046762173 /nfs/dbraw/zinc/76/21/73/1046762173.db2.gz OPSHLKYDCMUDIJ-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(C(C)=O)cc1C#N ZINC001211996444 1046763696 /nfs/dbraw/zinc/76/36/96/1046763696.db2.gz ZKFWSSUTRCCEKP-UHFFFAOYSA-N 1 0 321.424 4.346 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)cc1 ZINC000797083695 1046787164 /nfs/dbraw/zinc/78/71/64/1046787164.db2.gz FQZAPDVTDLIJMD-KMFMINBZSA-N 1 0 323.864 4.141 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)ccc1O ZINC001140579572 1046791970 /nfs/dbraw/zinc/79/19/70/1046791970.db2.gz YNHQBIQVXUIFQH-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO Cc1ccc(F)cc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001140595037 1046803028 /nfs/dbraw/zinc/80/30/28/1046803028.db2.gz ZIDYFAWDIXOWNB-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001140600956 1046804956 /nfs/dbraw/zinc/80/49/56/1046804956.db2.gz BXKNYQCUDBEPLS-QGZVFWFLSA-N 1 0 310.828 4.276 20 30 DIEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1 ZINC001140600603 1046806477 /nfs/dbraw/zinc/80/64/77/1046806477.db2.gz PQUSUOHLJYOZOZ-UHFFFAOYSA-N 1 0 310.775 4.223 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000797586471 1046855573 /nfs/dbraw/zinc/85/55/73/1046855573.db2.gz DMKLFQQSVRBUSD-HNNXBMFYSA-N 1 0 315.436 4.160 20 30 DIEDRO CC(C)(C)c1ccc(C(C)(C)CNC(=[NH2+])Nc2ccccn2)cc1 ZINC000179164858 1046863189 /nfs/dbraw/zinc/86/31/89/1046863189.db2.gz WMTISLYRDOQXSR-UHFFFAOYSA-N 1 0 324.472 4.084 20 30 DIEDRO C=CCOCC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000679576030 1046872464 /nfs/dbraw/zinc/87/24/64/1046872464.db2.gz GXGPICRYBZLUFY-JTQLQIEISA-N 1 0 306.258 4.225 20 30 DIEDRO C=CCOCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000679575866 1046872636 /nfs/dbraw/zinc/87/26/36/1046872636.db2.gz CUPZDUJEOZQJMP-OAHLLOKOSA-N 1 0 300.229 4.237 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000679576831 1046872668 /nfs/dbraw/zinc/87/26/68/1046872668.db2.gz WBVLBIXCSTWCPT-LBPRGKRZSA-N 1 0 320.433 4.111 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000679576613 1046872689 /nfs/dbraw/zinc/87/26/89/1046872689.db2.gz PZBFOGNUKLHDOS-ZDUSSCGKSA-N 1 0 321.367 4.294 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000679576527 1046874508 /nfs/dbraw/zinc/87/45/08/1046874508.db2.gz OWUXPEPTFYYEND-QGZVFWFLSA-N 1 0 301.430 4.005 20 30 DIEDRO C=CC[N@@H+](Cc1c(C)nc2cc(C)ccn21)Cc1ccccc1 ZINC001139678080 1046878997 /nfs/dbraw/zinc/87/89/97/1046878997.db2.gz RPVFNTTWNXYNFR-UHFFFAOYSA-N 1 0 305.425 4.139 20 30 DIEDRO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1F ZINC001140756875 1046888689 /nfs/dbraw/zinc/88/86/89/1046888689.db2.gz RBKWCOSSQWXTHS-GOSISDBHSA-N 1 0 304.384 4.381 20 30 DIEDRO C=C(C)[C@@H](CO)[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000679674780 1046890718 /nfs/dbraw/zinc/89/07/18/1046890718.db2.gz SCWZOTZZXKIQHX-MRXNPFEDSA-N 1 0 312.240 4.020 20 30 DIEDRO C=C(C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21)c1ccccc1 ZINC000679899606 1046910063 /nfs/dbraw/zinc/91/00/63/1046910063.db2.gz BWFPZVCIKCTYAI-INIZCTEOSA-N 1 0 305.425 4.187 20 30 DIEDRO N#CCC[N@H+](Cc1cccc(-c2ccncc2)c1)C1CCCC1 ZINC001137393077 1046910207 /nfs/dbraw/zinc/91/02/07/1046910207.db2.gz FVAMXMHTEOPYEG-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1Cl ZINC001140810977 1046911005 /nfs/dbraw/zinc/91/10/05/1046911005.db2.gz JFYZQFQHVXWKGK-MRXNPFEDSA-N 1 0 310.828 4.276 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(OC(F)(F)F)ccc1OC ZINC001258718074 1046925648 /nfs/dbraw/zinc/92/56/48/1046925648.db2.gz FMMJVAVSPMVINK-LLVKDONJSA-N 1 0 303.324 4.038 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3CCC3)c2)c1 ZINC000237848525 1046940693 /nfs/dbraw/zinc/94/06/93/1046940693.db2.gz KXXOUNRRWNXDML-UHFFFAOYSA-N 1 0 306.409 4.027 20 30 DIEDRO C=CCC[C@@H](C)n1cc(CC[NH3+])c2cccc(Br)c21 ZINC001258720947 1046943883 /nfs/dbraw/zinc/94/38/83/1046943883.db2.gz JVFBZRIHOUHCJD-GFCCVEGCSA-N 1 0 321.262 4.432 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(OC)cc2)cc1 ZINC000303719601 1046951481 /nfs/dbraw/zinc/95/14/81/1046951481.db2.gz VYOPJVVDSPTFNH-AWEZNQCLSA-N 1 0 311.429 4.136 20 30 DIEDRO N#CCC[N@H+](Cc1c[nH]c2ncccc12)C1CCCCCCC1 ZINC001137402576 1046962688 /nfs/dbraw/zinc/96/26/88/1046962688.db2.gz ZNUWXLUGWCBLJD-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCCSc2ccc(Cl)cc2)c1 ZINC000303790308 1046963629 /nfs/dbraw/zinc/96/36/29/1046963629.db2.gz WASZSKUOGZKMII-UHFFFAOYSA-N 1 0 319.861 4.167 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161208854 1046969880 /nfs/dbraw/zinc/96/98/80/1046969880.db2.gz YFBBZTSSASQFKL-KRWDZBQOSA-N 1 0 322.537 4.221 20 30 DIEDRO CCCCCCCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001137408538 1046974940 /nfs/dbraw/zinc/97/49/40/1046974940.db2.gz MITLKTSPHQYPHJ-PKOBYXMFSA-N 1 0 316.489 4.126 20 30 DIEDRO CCc1ccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)s1 ZINC000303878786 1046998606 /nfs/dbraw/zinc/99/86/06/1046998606.db2.gz GDGRXLBKZMBNKC-UHFFFAOYSA-N 1 0 317.458 4.025 20 30 DIEDRO COc1ccccc1CO[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000799117057 1047000265 /nfs/dbraw/zinc/00/02/65/1047000265.db2.gz HQGGLARWGHJWAP-UHFFFAOYSA-N 1 0 324.424 4.236 20 30 DIEDRO N#CCC[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CCCC1 ZINC001141076482 1047000421 /nfs/dbraw/zinc/00/04/21/1047000421.db2.gz SYZNAIMZLVJWPD-UHFFFAOYSA-N 1 0 323.484 4.044 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCc2ccccc2OC2CCCC2)c1 ZINC000303902376 1047003778 /nfs/dbraw/zinc/00/37/78/1047003778.db2.gz TXIDHYDUAMWTIJ-UHFFFAOYSA-N 1 0 323.440 4.243 20 30 DIEDRO Cc1cc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)cc(C)c1O ZINC000303899112 1047004027 /nfs/dbraw/zinc/00/40/27/1047004027.db2.gz VYVJAHSDNIICLX-UHFFFAOYSA-N 1 0 311.429 4.059 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141087556 1047005077 /nfs/dbraw/zinc/00/50/77/1047005077.db2.gz FGPDAFQXYDFLDB-UHFFFAOYSA-N 1 0 319.449 4.217 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000303983126 1047011767 /nfs/dbraw/zinc/01/17/67/1047011767.db2.gz AQDRRSVOYRZNPG-BBWFWOEESA-N 1 0 322.493 4.110 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCCCc2ccc(Cl)cc2)c1 ZINC000303971724 1047011803 /nfs/dbraw/zinc/01/18/03/1047011803.db2.gz DWXUMBUJJJXWBV-UHFFFAOYSA-N 1 0 301.821 4.008 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCCc2c[nH]c3cc(C)ccc23)c1 ZINC000303969859 1047012589 /nfs/dbraw/zinc/01/25/89/1047012589.db2.gz CGHZXSPZCFYCKN-UHFFFAOYSA-N 1 0 320.440 4.008 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cc(C(C)=O)ccc1OCC)c1ccccc1 ZINC000271713687 1047013113 /nfs/dbraw/zinc/01/31/13/1047013113.db2.gz OTVGEAQFJPGYNN-FQEVSTJZSA-N 1 0 321.420 4.142 20 30 DIEDRO CC[C@@H](c1ccccc1)[N@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141112788 1047016967 /nfs/dbraw/zinc/01/69/67/1047016967.db2.gz MMYLGDLGTVJKCT-ZDUSSCGKSA-N 1 0 319.861 4.438 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1Cl ZINC001141112035 1047017672 /nfs/dbraw/zinc/01/76/72/1047017672.db2.gz MTAORMQOGMRMHV-CYBMUJFWSA-N 1 0 317.845 4.192 20 30 DIEDRO N#Cc1cc(F)ccc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001141163552 1047031927 /nfs/dbraw/zinc/03/19/27/1047031927.db2.gz JVHDTAADFYVVDW-UHFFFAOYSA-N 1 0 318.395 4.258 20 30 DIEDRO COc1cccc([C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC001141167594 1047034894 /nfs/dbraw/zinc/03/48/94/1047034894.db2.gz QWFDSZNDPUIPNK-INIZCTEOSA-N 1 0 324.399 4.086 20 30 DIEDRO COc1cccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1F ZINC001141222933 1047050798 /nfs/dbraw/zinc/05/07/98/1047050798.db2.gz BXWXFGDUWFRUBR-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000536668685 1047050824 /nfs/dbraw/zinc/05/08/24/1047050824.db2.gz NMGZJSQNNOXMLS-HXUWFJFHSA-N 1 0 308.425 4.292 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NC[C@H](C)c2ccc(F)cc2F)c1 ZINC000304764114 1047054271 /nfs/dbraw/zinc/05/42/71/1047054271.db2.gz XPTKNPOUONUMBI-LBPRGKRZSA-N 1 0 317.383 4.058 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](C)c2ccc(F)cc2F)c1 ZINC000304764113 1047054887 /nfs/dbraw/zinc/05/48/87/1047054887.db2.gz XPTKNPOUONUMBI-GFCCVEGCSA-N 1 0 317.383 4.058 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000799720692 1047056242 /nfs/dbraw/zinc/05/62/42/1047056242.db2.gz TWLFFXCWSXVMNN-UYSNPLJNSA-N 1 0 322.399 4.281 20 30 DIEDRO COc1cc(C[NH+]2CCC(c3cccc(F)c3)CC2)ccc1C#N ZINC000799732826 1047059874 /nfs/dbraw/zinc/05/98/74/1047059874.db2.gz PDTXCKKEHXZOBX-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C=CC1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000536671257 1047062816 /nfs/dbraw/zinc/06/28/16/1047062816.db2.gz BWOVQVRCYYUQPQ-UHFFFAOYSA-N 1 0 301.821 4.128 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000536673024 1047063843 /nfs/dbraw/zinc/06/38/43/1047063843.db2.gz JEUXZUPBNVQRPI-CYBMUJFWSA-N 1 0 302.830 4.263 20 30 DIEDRO CCCC[C@H](CCC)CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000304842450 1047064806 /nfs/dbraw/zinc/06/48/06/1047064806.db2.gz RIGDYMNSZCWWLA-AWEZNQCLSA-N 1 0 321.465 4.037 20 30 DIEDRO N#Cc1csc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000536677043 1047066779 /nfs/dbraw/zinc/06/67/79/1047066779.db2.gz RFADPPIFGKOZIH-AWEZNQCLSA-N 1 0 302.830 4.263 20 30 DIEDRO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1F)C1CCCCC1 ZINC001141287547 1047077542 /nfs/dbraw/zinc/07/75/42/1047077542.db2.gz HLLFLZLWRSHMKR-UHFFFAOYSA-N 1 0 307.409 4.164 20 30 DIEDRO COCC[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C ZINC001141294091 1047079046 /nfs/dbraw/zinc/07/90/46/1047079046.db2.gz VMLUVUVFYCOKCK-UHFFFAOYSA-N 1 0 324.424 4.207 20 30 DIEDRO CCCC1(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CCC1 ZINC000305076071 1047091672 /nfs/dbraw/zinc/09/16/72/1047091672.db2.gz VLQMCTAQTMUFEX-UHFFFAOYSA-N 1 0 309.841 4.046 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000536856233 1047112933 /nfs/dbraw/zinc/11/29/33/1047112933.db2.gz FGLCQNYYRWASAI-OLZOCXBDSA-N 1 0 303.837 4.449 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000536855541 1047113739 /nfs/dbraw/zinc/11/37/39/1047113739.db2.gz BJFYODOJTGWXOE-UXLLHSPISA-N 1 0 321.436 4.389 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000536855566 1047113751 /nfs/dbraw/zinc/11/37/51/1047113751.db2.gz BJFYODOJTGWXOE-ZOBUZTSGSA-N 1 0 321.436 4.389 20 30 DIEDRO C#CCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000760292095 1047118258 /nfs/dbraw/zinc/11/82/58/1047118258.db2.gz QJJWPJHAFQKJSN-KRWDZBQOSA-N 1 0 314.226 4.151 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000536984534 1047126300 /nfs/dbraw/zinc/12/63/00/1047126300.db2.gz GSIAGKBOALJIQE-CPUCHLNUSA-N 1 0 317.864 4.053 20 30 DIEDRO C=CCCC[C@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000536995559 1047128494 /nfs/dbraw/zinc/12/84/94/1047128494.db2.gz SSMOYHZWVWQIRX-SFHVURJKSA-N 1 0 315.505 4.365 20 30 DIEDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC001116321209 1047129362 /nfs/dbraw/zinc/12/93/62/1047129362.db2.gz BVQQAOYBXDOTEO-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001116439333 1047140755 /nfs/dbraw/zinc/14/07/55/1047140755.db2.gz VCYXHQJAYDEIHK-OALUTQOASA-N 1 0 312.457 4.381 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(F)cc1OC(F)F ZINC001116479184 1047147049 /nfs/dbraw/zinc/14/70/49/1047147049.db2.gz MXAVWMCUICNLQT-JTQLQIEISA-N 1 0 300.324 4.018 20 30 DIEDRO C=CCO[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001116554016 1047157207 /nfs/dbraw/zinc/15/72/07/1047157207.db2.gz CHASQOUBGGGEHZ-NRFANRHFSA-N 1 0 323.436 4.043 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC001116620874 1047163230 /nfs/dbraw/zinc/16/32/30/1047163230.db2.gz ONQPJIHIBKQVKO-GWCFXTLKSA-N 1 0 308.472 4.032 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC001116620884 1047163610 /nfs/dbraw/zinc/16/36/10/1047163610.db2.gz ONQPJIHIBKQVKO-ZWNOBZJWSA-N 1 0 308.472 4.032 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000838915641 1047172079 /nfs/dbraw/zinc/17/20/79/1047172079.db2.gz NWOVOPYTIVHGSN-CVEARBPZSA-N 1 0 313.363 4.073 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H](c2cccs2)C2CC2)C1 ZINC001116721401 1047172275 /nfs/dbraw/zinc/17/22/75/1047172275.db2.gz IROKEALSFGEGHC-AVAKVYKDSA-N 1 0 308.450 4.413 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1Cl ZINC000537342931 1047172740 /nfs/dbraw/zinc/17/27/40/1047172740.db2.gz GXYWMKIVSMQNSC-QAPCUYQASA-N 1 0 323.864 4.198 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000537407409 1047181471 /nfs/dbraw/zinc/18/14/71/1047181471.db2.gz PDFGOZPJIAEDQB-RYUDHWBXSA-N 1 0 313.332 4.017 20 30 DIEDRO C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000537405394 1047181582 /nfs/dbraw/zinc/18/15/82/1047181582.db2.gz IPXOIINZWCXVAA-CQSZACIVSA-N 1 0 308.400 4.153 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@H](O)c2ccccc2C)CC1 ZINC000796417008 1047218747 /nfs/dbraw/zinc/21/87/47/1047218747.db2.gz LVGXXELJDIDAQM-XLIONFOSSA-N 1 0 301.474 4.485 20 30 DIEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(C#N)ccc1Br ZINC001141654602 1047248105 /nfs/dbraw/zinc/24/81/05/1047248105.db2.gz FEUHAFGVYSEIEW-RYUDHWBXSA-N 1 0 307.235 4.084 20 30 DIEDRO C[C@]12CC[N@H+](CCC3(C#N)CCCCC3)C[C@H]1C2(Cl)Cl ZINC000839595291 1047249751 /nfs/dbraw/zinc/24/97/51/1047249751.db2.gz FPLISEFWGHLMPI-KGLIPLIRSA-N 1 0 315.288 4.366 20 30 DIEDRO C[N@H+](CC#Cc1ccccc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000683007153 1047257177 /nfs/dbraw/zinc/25/71/77/1047257177.db2.gz YLSIKFKSQGRRFU-FCHUYYIVSA-N 1 0 319.448 4.138 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1cc(F)cc2cccnc21 ZINC000796632873 1047276921 /nfs/dbraw/zinc/27/69/21/1047276921.db2.gz OFHFHJWAHCLEQL-UHFFFAOYSA-N 1 0 304.368 4.009 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000386709133 1047278447 /nfs/dbraw/zinc/27/84/47/1047278447.db2.gz OZWFONBUFKHSHM-BBWFWOEESA-N 1 0 322.493 4.110 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000386709135 1047278715 /nfs/dbraw/zinc/27/87/15/1047278715.db2.gz OZWFONBUFKHSHM-GVDBMIGSSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC001203113759 1047288400 /nfs/dbraw/zinc/28/84/00/1047288400.db2.gz PYDORZFMSWXNHJ-IRXDYDNUSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455864510 1047291053 /nfs/dbraw/zinc/29/10/53/1047291053.db2.gz SYHYNMTXDBVTOK-KSSFIOAISA-N 1 0 315.461 4.102 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cncs1 ZINC000897933355 1047299357 /nfs/dbraw/zinc/29/93/57/1047299357.db2.gz VRKCEVKGUDSPAY-MXWWQKGMSA-N 1 0 311.454 4.198 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC001118558217 1047302111 /nfs/dbraw/zinc/30/21/11/1047302111.db2.gz NHNZAPWOYSHLRH-CYBMUJFWSA-N 1 0 313.470 4.206 20 30 DIEDRO CC(C)(C[NH2+]C1CC(C#N)(c2ccccc2)C1)CC(F)(F)F ZINC001118579626 1047302508 /nfs/dbraw/zinc/30/25/08/1047302508.db2.gz NRVOXHKIJDMUQW-UHFFFAOYSA-N 1 0 310.363 4.179 20 30 DIEDRO COc1cc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)ccc1C#N ZINC000897995953 1047309456 /nfs/dbraw/zinc/30/94/56/1047309456.db2.gz VMPXLQAFZHVYGM-LJQANCHMSA-N 1 0 323.440 4.147 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)ccc1C#N ZINC001141940026 1047313538 /nfs/dbraw/zinc/31/35/38/1047313538.db2.gz ZHNBSRKMKVTYGQ-GOSISDBHSA-N 1 0 323.465 4.321 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)c1 ZINC000898018868 1047314397 /nfs/dbraw/zinc/31/43/97/1047314397.db2.gz DPLXFCYOERHHGM-HNNXBMFYSA-N 1 0 322.399 4.284 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000651678357 1047321671 /nfs/dbraw/zinc/32/16/71/1047321671.db2.gz MMTAHJHBMQZMRU-IIAWOOMASA-N 1 0 319.445 4.108 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)C1 ZINC000651740842 1047323739 /nfs/dbraw/zinc/32/37/39/1047323739.db2.gz PGYGDEPAKVMZQQ-NEWSRXKRSA-N 1 0 301.474 4.123 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000651761461 1047327806 /nfs/dbraw/zinc/32/78/06/1047327806.db2.gz SVRYZWCKBRDOFZ-ZWQIFLOQSA-N 1 0 303.421 4.380 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCC(OC)CC2)cc1 ZINC000840794470 1047332549 /nfs/dbraw/zinc/33/25/49/1047332549.db2.gz ZKWNUQAFBDYCQW-ODIFPOPNSA-N 1 0 323.864 4.426 20 30 DIEDRO C=C(C)CN(CC)Cc1cc(F)c(F)cc1Br ZINC001142013358 1047344324 /nfs/dbraw/zinc/34/43/24/1047344324.db2.gz IIBLQWDSJULVRF-UHFFFAOYSA-N 1 0 304.178 4.125 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652201909 1047345623 /nfs/dbraw/zinc/34/56/23/1047345623.db2.gz STYRHUFDYOYSTF-IBGZPJMESA-N 1 0 310.441 4.372 20 30 DIEDRO C=CCOc1ccc(CNc2[nH+]ccn2C2CC2)cc1Cl ZINC000840887357 1047354359 /nfs/dbraw/zinc/35/43/59/1047354359.db2.gz LBGGGRNVCZJDHY-UHFFFAOYSA-N 1 0 303.793 4.048 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000840895745 1047356088 /nfs/dbraw/zinc/35/60/88/1047356088.db2.gz VDFHARCHSVCQEA-ZMSDIMECSA-N 1 0 323.864 4.020 20 30 DIEDRO Cc1cc2cc(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)ccc2[nH]1 ZINC000796527560 1047377757 /nfs/dbraw/zinc/37/77/57/1047377757.db2.gz HQPAFRRBZFAOIS-HNNXBMFYSA-N 1 0 319.408 4.057 20 30 DIEDRO CCCOc1ccc2c(c1)CC[N@@H+](CC1CCC(C#N)CC1)C2 ZINC001168302531 1047377941 /nfs/dbraw/zinc/37/79/41/1047377941.db2.gz NMTMAZDODLIANW-UHFFFAOYSA-N 1 0 312.457 4.163 20 30 DIEDRO C=CC[N@@H+](CCc1noc2ccccc21)Cc1ccc(OC)cc1 ZINC000653502519 1047392125 /nfs/dbraw/zinc/39/21/25/1047392125.db2.gz GRYRCWYXOIRRAU-UHFFFAOYSA-N 1 0 322.408 4.067 20 30 DIEDRO C=CCCn1cc(C[N@@H+]([C@@H](C)c2ccccc2)C2CCCC2)nn1 ZINC000653669698 1047414176 /nfs/dbraw/zinc/41/41/76/1047414176.db2.gz HPQKYLLKIURSMO-KRWDZBQOSA-N 1 0 324.472 4.360 20 30 DIEDRO C=CCCn1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000653762086 1047419554 /nfs/dbraw/zinc/41/95/54/1047419554.db2.gz SSHGTUWFTFLLKF-VQTJNVASSA-N 1 0 324.472 4.012 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2c(C)nc3sc(C)nn23)CCCC1 ZINC001203119291 1047422082 /nfs/dbraw/zinc/42/20/82/1047422082.db2.gz QIPYPUUZBXYLCR-UHFFFAOYSA-N 1 0 318.490 4.024 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000749570680 1047428077 /nfs/dbraw/zinc/42/80/77/1047428077.db2.gz ANVOQUNNILKPQI-UHFFFAOYSA-N 1 0 304.434 4.432 20 30 DIEDRO FC[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255706848 1047431782 /nfs/dbraw/zinc/43/17/82/1047431782.db2.gz XWNMWXUPROOOCI-GARJFASQSA-N 1 0 321.280 4.331 20 30 DIEDRO CC(NNc1[nH+]cc(C(F)(F)F)cc1Cl)=C1CC1(F)F ZINC000841605234 1047436141 /nfs/dbraw/zinc/43/61/41/1047436141.db2.gz OVBQAUSPMXYEOR-SSDOTTSWSA-N 1 0 313.657 4.197 20 30 DIEDRO CC([NH2+]Nc1ccc(OCC(F)(F)F)cc1)=C1CC1(F)F ZINC000841625642 1047437993 /nfs/dbraw/zinc/43/79/93/1047437993.db2.gz XPWMSPFAICMIMI-LLVKDONJSA-N 1 0 308.250 4.071 20 30 DIEDRO CCCCCCCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841858333 1047459643 /nfs/dbraw/zinc/45/96/43/1047459643.db2.gz PUXMSUDDFSUJDP-JWTNVVGKSA-N 1 0 323.525 4.052 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc(Cl)n1 ZINC000841893363 1047460926 /nfs/dbraw/zinc/46/09/26/1047460926.db2.gz DLRFDNVTLDCEBK-QGZVFWFLSA-N 1 0 311.816 4.082 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000537624549 1047474858 /nfs/dbraw/zinc/47/48/58/1047474858.db2.gz YLTMUNJIIMRBIL-IBGZPJMESA-N 1 0 308.425 4.292 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000089903618 1047494094 /nfs/dbraw/zinc/49/40/94/1047494094.db2.gz FCFNPJWVRBVXPF-UHFFFAOYSA-N 1 0 303.406 4.125 20 30 DIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)cc1 ZINC000120878586 1047501249 /nfs/dbraw/zinc/50/12/49/1047501249.db2.gz DXRNHFYJJOPCGP-GOSISDBHSA-N 1 0 312.438 4.356 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(C)(C)CCC#N)C12CCCCC2 ZINC000537633045 1047511160 /nfs/dbraw/zinc/51/11/60/1047511160.db2.gz GKHJLIYRXXFPGY-SJORKVTESA-N 1 0 306.494 4.376 20 30 DIEDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000842883273 1047511316 /nfs/dbraw/zinc/51/13/16/1047511316.db2.gz CMOIXERDYCYTQW-INIZCTEOSA-N 1 0 307.441 4.060 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921338 1047514422 /nfs/dbraw/zinc/51/44/22/1047514422.db2.gz KIINYYRVWBAWFG-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO N#Cc1ccc2c(C[N@H+]3CC[C@@H](c4cccc(F)c4)C3)c[nH]c2c1 ZINC001142922667 1047514475 /nfs/dbraw/zinc/51/44/75/1047514475.db2.gz PWUVBRFUMBUIKK-MRXNPFEDSA-N 1 0 319.383 4.168 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921834 1047514608 /nfs/dbraw/zinc/51/46/08/1047514608.db2.gz XDCHDKAQXMOKQM-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1cccc(F)c1 ZINC001142922472 1047514955 /nfs/dbraw/zinc/51/49/55/1047514955.db2.gz IWLQAHKBJMHCRR-UHFFFAOYSA-N 1 0 307.372 4.201 20 30 DIEDRO C[N@H+](Cc1c(F)ccc(C#N)c1F)C(C)(C)Cc1ccccc1 ZINC001143176128 1047539158 /nfs/dbraw/zinc/53/91/58/1047539158.db2.gz ROFGADKPMPJQRC-UHFFFAOYSA-N 1 0 314.379 4.290 20 30 DIEDRO C=CCC1([NH2+]Cc2cn(-c3ccccc3F)nc2C)CCCC1 ZINC001203135461 1047545256 /nfs/dbraw/zinc/54/52/56/1047545256.db2.gz BALKFEIJWVVSOB-UHFFFAOYSA-N 1 0 313.420 4.298 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(C)(C)CCC#N)CCC2 ZINC000093768091 1047550883 /nfs/dbraw/zinc/55/08/83/1047550883.db2.gz WJXZLAYVUFDODH-AWEZNQCLSA-N 1 0 305.491 4.345 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001149204840 1047557656 /nfs/dbraw/zinc/55/76/56/1047557656.db2.gz IJOIOFCDXFVECA-OKZBNKHCSA-N 1 0 322.537 4.362 20 30 DIEDRO CCCCCCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001149785520 1047569538 /nfs/dbraw/zinc/56/95/38/1047569538.db2.gz KQVDUQDARBABMZ-UHFFFAOYSA-N 1 0 308.510 4.119 20 30 DIEDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000926899102 1047571675 /nfs/dbraw/zinc/57/16/75/1047571675.db2.gz USLVEXDBQIFTKG-CABCVRRESA-N 1 0 312.388 4.448 20 30 DIEDRO C=CCCC1(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000476959497 1047585199 /nfs/dbraw/zinc/58/51/99/1047585199.db2.gz LVIJZTLXRRJBKT-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000237815359 1047595474 /nfs/dbraw/zinc/59/54/74/1047595474.db2.gz FSUOXRLECYYJQA-KGXSXCIVSA-N 1 0 320.461 4.437 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000477143934 1047598051 /nfs/dbraw/zinc/59/80/51/1047598051.db2.gz REKDIJPTXNYION-QGZVFWFLSA-N 1 0 312.438 4.226 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000089553890 1047598107 /nfs/dbraw/zinc/59/81/07/1047598107.db2.gz WOWXTPVLPFGPQG-HUUCEWRRSA-N 1 0 301.352 4.073 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001152074514 1047606870 /nfs/dbraw/zinc/60/68/70/1047606870.db2.gz KSGRHUXVAIDVDM-GOSISDBHSA-N 1 0 310.526 4.316 20 30 DIEDRO CC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000926922471 1047609033 /nfs/dbraw/zinc/60/90/33/1047609033.db2.gz ZOIQKRPTMPXZQT-HNNXBMFYSA-N 1 0 311.454 4.134 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000537869396 1047641901 /nfs/dbraw/zinc/64/19/01/1047641901.db2.gz PLOJPYXXZOLIMH-TZIWHRDSSA-N 1 0 323.436 4.119 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2c(Cl)cccc2C#N)C1 ZINC000538088306 1047657718 /nfs/dbraw/zinc/65/77/18/1047657718.db2.gz MTGZPPFQYVOCHC-FMKPAKJESA-N 1 0 317.864 4.053 20 30 DIEDRO COc1ccc(C2([NH2+]Cc3ccccc3C(C)(C)C#N)CC2)cc1 ZINC000538159141 1047660370 /nfs/dbraw/zinc/66/03/70/1047660370.db2.gz LWCZUSMTWXRBPC-UHFFFAOYSA-N 1 0 320.436 4.275 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000538126585 1047660746 /nfs/dbraw/zinc/66/07/46/1047660746.db2.gz LKOUITVXKRWEQC-MRXNPFEDSA-N 1 0 311.400 4.315 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000538207615 1047663644 /nfs/dbraw/zinc/66/36/44/1047663644.db2.gz HTOXHFYFIIACOF-CVEARBPZSA-N 1 0 300.446 4.209 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000538257718 1047665232 /nfs/dbraw/zinc/66/52/32/1047665232.db2.gz IFIDAKPULBGVHL-IBGZPJMESA-N 1 0 308.425 4.231 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)s1 ZINC000538330135 1047670326 /nfs/dbraw/zinc/67/03/26/1047670326.db2.gz YBJYYCLCPZSLLQ-UHFFFAOYSA-N 1 0 314.429 4.360 20 30 DIEDRO C[C@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000538394561 1047674170 /nfs/dbraw/zinc/67/41/70/1047674170.db2.gz FWQDTKCNIMHNIM-HNNXBMFYSA-N 1 0 308.400 4.371 20 30 DIEDRO CCc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N(C)C)cc1 ZINC000538397876 1047674707 /nfs/dbraw/zinc/67/47/07/1047674707.db2.gz YEJWSPBQLODSNT-KKSFZXQISA-N 1 0 321.468 4.074 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1F)c1ccc(C#N)cc1 ZINC000538398299 1047675246 /nfs/dbraw/zinc/67/52/46/1047675246.db2.gz GOLBMNLTHHQLQD-AWEZNQCLSA-N 1 0 314.429 4.281 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000538396581 1047675289 /nfs/dbraw/zinc/67/52/89/1047675289.db2.gz QYNSGPDKTLCTFT-UHFFFAOYSA-N 1 0 304.846 4.341 20 30 DIEDRO CC(C)c1ccc(C#N)c(-n2ccc3cc([C@@H](C)[NH3+])ccc32)n1 ZINC001155340081 1047677331 /nfs/dbraw/zinc/67/73/31/1047677331.db2.gz LUJFGLGKXXJGQI-CYBMUJFWSA-N 1 0 304.397 4.040 20 30 DIEDRO CSc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538508283 1047683920 /nfs/dbraw/zinc/68/39/20/1047683920.db2.gz GSHFRGXRJPMQKZ-LLVKDONJSA-N 1 0 318.392 4.409 20 30 DIEDRO N#Cc1ccc(C2CCN(c3ccc4c(n3)CCCC4)CC2)cc1 ZINC001156765513 1047721859 /nfs/dbraw/zinc/72/18/59/1047721859.db2.gz NBMKKMXNHZPAEJ-UHFFFAOYSA-N 1 0 317.436 4.216 20 30 DIEDRO Cc1[nH+]c(N2CCC(c3ccc(C#N)cc3)CC2)cc2[nH]ccc21 ZINC001156765511 1047721930 /nfs/dbraw/zinc/72/19/30/1047721930.db2.gz ABWYZPIPCCNGSL-UHFFFAOYSA-N 1 0 316.408 4.127 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(NCc2ccccc2C#N)nc1 ZINC001156791493 1047722574 /nfs/dbraw/zinc/72/25/74/1047722574.db2.gz UDIQMXRGWMNDRH-IBGZPJMESA-N 1 0 320.440 4.112 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000539051970 1047727320 /nfs/dbraw/zinc/72/73/20/1047727320.db2.gz RRJLPVCYQXUMOE-SJLPKXTDSA-N 1 0 321.436 4.043 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1F ZINC000539241212 1047743969 /nfs/dbraw/zinc/74/39/69/1047743969.db2.gz CQOVDCILRUBGOU-ZDUSSCGKSA-N 1 0 317.791 4.190 20 30 DIEDRO C=CCN(c1ccc([C@H]2CCCC[N@H+]2CC)cn1)C(C)(C)C ZINC001157585699 1047746601 /nfs/dbraw/zinc/74/66/01/1047746601.db2.gz PSPJJZMPLBKBNK-QGZVFWFLSA-N 1 0 301.478 4.419 20 30 DIEDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CCCC#N)c1 ZINC000539360832 1047750289 /nfs/dbraw/zinc/75/02/89/1047750289.db2.gz VKILWGMGLGTAFM-OAQYLSRUSA-N 1 0 322.452 4.489 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000477853371 1047755395 /nfs/dbraw/zinc/75/53/95/1047755395.db2.gz FZRILEJORKAEIO-YOEHRIQHSA-N 1 0 316.420 4.230 20 30 DIEDRO CC1(C)C[C@@H](Nc2nccc3ccc(C#N)cc32)C[C@](C)(C[NH3+])C1 ZINC001158268755 1047773634 /nfs/dbraw/zinc/77/36/34/1047773634.db2.gz QUWHKDRBQLEXDX-UZLBHIALSA-N 1 0 322.456 4.062 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001158318325 1047774204 /nfs/dbraw/zinc/77/42/04/1047774204.db2.gz KMHZRAUEBGUKCG-RXGJEQQXSA-N 1 0 320.521 4.425 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001158318324 1047774547 /nfs/dbraw/zinc/77/45/47/1047774547.db2.gz KMHZRAUEBGUKCG-MVGRMIATSA-N 1 0 320.521 4.425 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CCOC)c2ccc(C)o2)cc1 ZINC000478355815 1047781892 /nfs/dbraw/zinc/78/18/92/1047781892.db2.gz KPOZEHJMZVFRSR-SFHVURJKSA-N 1 0 315.413 4.020 20 30 DIEDRO CC(C)(C)c1cccc(Nc2sc3c(c2C#N)CC[NH2+]C3)c1 ZINC001159160186 1047817036 /nfs/dbraw/zinc/81/70/36/1047817036.db2.gz ZTRNBQRWPYBWFB-UHFFFAOYSA-N 1 0 311.454 4.307 20 30 DIEDRO N#Cc1c(Nc2ccc(Cl)c(Cl)c2)sc2c1CC[NH2+]C2 ZINC001159159402 1047817366 /nfs/dbraw/zinc/81/73/66/1047817366.db2.gz HDLOCLQMFIPUGW-UHFFFAOYSA-N 1 0 324.236 4.316 20 30 DIEDRO Cc1cc(F)cc(Cl)c1Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001159158213 1047817480 /nfs/dbraw/zinc/81/74/80/1047817480.db2.gz ZIGJUGPZDIQHOR-UHFFFAOYSA-N 1 0 321.808 4.110 20 30 DIEDRO N#Cc1cc(Nc2csc3ccccc23)cc(C2C[NH2+]C2)c1 ZINC001159198029 1047818945 /nfs/dbraw/zinc/81/89/45/1047818945.db2.gz LMZDNAFRIVGSFV-UHFFFAOYSA-N 1 0 305.406 4.203 20 30 DIEDRO N#Cc1c2ccccc2sc1Nc1cccc2c1CC[NH2+]C2 ZINC001159248521 1047823470 /nfs/dbraw/zinc/82/34/70/1047823470.db2.gz HLIHOLFAKFJTKW-UHFFFAOYSA-N 1 0 305.406 4.162 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(NCC(C)(C)S)nc1 ZINC001159269529 1047825879 /nfs/dbraw/zinc/82/58/79/1047825879.db2.gz KDAIPAZJBYIMGX-OAHLLOKOSA-N 1 0 307.507 4.139 20 30 DIEDRO Cc1c(C#N)cccc1Nc1cnccc1[C@H]1C[C@H]([NH3+])C[C@@H](C)C1 ZINC001159387397 1047838401 /nfs/dbraw/zinc/83/84/01/1047838401.db2.gz RQXUKDUCMVDMCW-IAOVAPTHSA-N 1 0 320.440 4.236 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2cc(C#N)ccc2F)C1 ZINC001159387695 1047838653 /nfs/dbraw/zinc/83/86/53/1047838653.db2.gz UBWOGQBUHLCUMR-NWANDNLSSA-N 1 0 324.403 4.067 20 30 DIEDRO Cc1cc(Nc2cnccc2[C@@H]2C[C@H](C)C[C@H]([NH3+])C2)ccc1C#N ZINC001159390811 1047838680 /nfs/dbraw/zinc/83/86/80/1047838680.db2.gz ODZQIXISGUAIQR-XKQJLSEDSA-N 1 0 320.440 4.236 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(C#N)cc2F)C1 ZINC001159388375 1047838750 /nfs/dbraw/zinc/83/87/50/1047838750.db2.gz IDRIBFUHIMOSAE-AEGPPILISA-N 1 0 324.403 4.067 20 30 DIEDRO Cc1cc(C#N)cc(Nc2cnccc2[C@@H]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001159391019 1047838785 /nfs/dbraw/zinc/83/87/85/1047838785.db2.gz PEZZTBAZXSTDRE-UAGQMJEPSA-N 1 0 320.440 4.236 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2ccc(C#N)cc2F)C1 ZINC001159388379 1047839004 /nfs/dbraw/zinc/83/90/04/1047839004.db2.gz IDRIBFUHIMOSAE-NWANDNLSSA-N 1 0 324.403 4.067 20 30 DIEDRO C#Cc1cccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001159387912 1047839160 /nfs/dbraw/zinc/83/91/60/1047839160.db2.gz FQCKNFVKZCHWJN-OIISXLGYSA-N 1 0 305.425 4.037 20 30 DIEDRO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2cc(C#N)ccc2F)C1 ZINC001159387696 1047839236 /nfs/dbraw/zinc/83/92/36/1047839236.db2.gz UBWOGQBUHLCUMR-QEJZJMRPSA-N 1 0 324.403 4.067 20 30 DIEDRO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(F)c(C#N)c2)C1 ZINC001159391680 1047839527 /nfs/dbraw/zinc/83/95/27/1047839527.db2.gz SRDJMXNPMFJMAO-YDHLFZDLSA-N 1 0 324.403 4.067 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2ccc(F)cc2C#N)C1 ZINC001159391473 1047839549 /nfs/dbraw/zinc/83/95/49/1047839549.db2.gz RHHNVHNZKDNNNT-WOSRLPQWSA-N 1 0 324.403 4.067 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2nccc3ccc(C#N)cc32)CC1(C)C ZINC001159397169 1047840538 /nfs/dbraw/zinc/84/05/38/1047840538.db2.gz HJAQAFQXECJLND-UHFFFAOYSA-N 1 0 322.456 4.170 20 30 DIEDRO CC#CCCCCCCCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001182770605 1047843490 /nfs/dbraw/zinc/84/34/90/1047843490.db2.gz QKNJTDRUMXABPF-LJQANCHMSA-N 1 0 320.521 4.121 20 30 DIEDRO N#Cc1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1Cl ZINC001159426847 1047843577 /nfs/dbraw/zinc/84/35/77/1047843577.db2.gz OLUJPGXXICAMCR-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC001182844662 1047847069 /nfs/dbraw/zinc/84/70/69/1047847069.db2.gz NUQQNVODBKZCTH-SWLSCSKDSA-N 1 0 309.837 4.279 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccccc2nc1OC ZINC001182845052 1047847646 /nfs/dbraw/zinc/84/76/46/1047847646.db2.gz REZGJRZOYDSEOJ-YJBOKZPZSA-N 1 0 310.441 4.468 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccccc1F ZINC001182910939 1047862928 /nfs/dbraw/zinc/86/29/28/1047862928.db2.gz SKBVMTWKLCUITB-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159557712 1047867564 /nfs/dbraw/zinc/86/75/64/1047867564.db2.gz NEWGQMOEKWKHDW-UHFFFAOYSA-N 1 0 305.425 4.386 20 30 DIEDRO Cc1ccc(CC2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)cc1 ZINC001182930092 1047870025 /nfs/dbraw/zinc/87/00/25/1047870025.db2.gz WFXWNPDEMANLED-UHFFFAOYSA-N 1 0 316.448 4.225 20 30 DIEDRO CC(C)(C[NH3+])c1ccc(Nc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001159581642 1047872960 /nfs/dbraw/zinc/87/29/60/1047872960.db2.gz MYUSIXFDORNLHH-UHFFFAOYSA-N 1 0 305.425 4.222 20 30 DIEDRO N#Cc1cc(F)c(Nc2ccc(C3CC[NH2+]CC3)cc2)c(F)c1 ZINC001159590243 1047874111 /nfs/dbraw/zinc/87/41/11/1047874111.db2.gz FKGVJCGSGAHFPY-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO CC(C)([NH3+])c1ccc(Nc2ccc3nc(C#N)sc3c2)cc1 ZINC001159630757 1047886436 /nfs/dbraw/zinc/88/64/36/1047886436.db2.gz BDTYZBLHTQRSFH-UHFFFAOYSA-N 1 0 308.410 4.105 20 30 DIEDRO C[C@H](Nc1cc(CC#N)ccn1)c1ccccc1C(F)(F)F ZINC001159645340 1047892939 /nfs/dbraw/zinc/89/29/39/1047892939.db2.gz RHCVJUDVAMXOOW-NSHDSACASA-N 1 0 305.303 4.340 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1F ZINC001183155336 1047894691 /nfs/dbraw/zinc/89/46/91/1047894691.db2.gz FDSJBZQQKVMIBS-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001183144620 1047895555 /nfs/dbraw/zinc/89/55/55/1047895555.db2.gz ATJYBHDWGANNHJ-BZUAXINKSA-N 1 0 310.482 4.157 20 30 DIEDRO CCCc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC001183179513 1047898759 /nfs/dbraw/zinc/89/87/59/1047898759.db2.gz FSQGRICRPBYLCG-UHFFFAOYSA-N 1 0 310.466 4.325 20 30 DIEDRO C=CCC1([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CCCC1 ZINC001174593408 1047898673 /nfs/dbraw/zinc/89/86/73/1047898673.db2.gz UUARPNFNENAXRF-UHFFFAOYSA-N 1 0 306.837 4.147 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)Cc1ccc(-c2ccccc2)cc1 ZINC001183155932 1047904319 /nfs/dbraw/zinc/90/43/19/1047904319.db2.gz JMSTXRHAZNFWAJ-PGRDOPGGSA-N 1 0 321.464 4.303 20 30 DIEDRO N#Cc1cc(Nc2ccc(Cl)cc2Cl)cc(C2C[NH2+]C2)c1 ZINC001159704300 1047904986 /nfs/dbraw/zinc/90/49/86/1047904986.db2.gz WJCLOXXOQIMFBJ-UHFFFAOYSA-N 1 0 318.207 4.295 20 30 DIEDRO N#CC1(c2ccc(Nc3cccc4c3CC[NH2+]C4)cc2)CCCC1 ZINC001159706901 1047906834 /nfs/dbraw/zinc/90/68/34/1047906834.db2.gz OGKSFJYHUATIFY-UHFFFAOYSA-N 1 0 317.436 4.411 20 30 DIEDRO CCC(CC)(C[NH2+]Cc1ccc(C#N)c(F)c1)C(F)(F)F ZINC001183418654 1047925723 /nfs/dbraw/zinc/92/57/23/1047925723.db2.gz BUPVALFKYLRBQS-UHFFFAOYSA-N 1 0 302.315 4.156 20 30 DIEDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC001174615617 1047927111 /nfs/dbraw/zinc/92/71/11/1047927111.db2.gz WSVVWMJAGQILPS-UHFFFAOYSA-N 1 0 320.436 4.055 20 30 DIEDRO C(#Cc1ccccc1)CNc1ccc(C[NH+]2CCCCC2)cc1 ZINC001183490797 1047933529 /nfs/dbraw/zinc/93/35/29/1047933529.db2.gz LDDDABHJZQZLHF-UHFFFAOYSA-N 1 0 304.437 4.136 20 30 DIEDRO CC[C@H](OCC[N@H+](C)Cc1cc(C#N)cs1)c1ccccc1 ZINC001198203219 1047933641 /nfs/dbraw/zinc/93/36/41/1047933641.db2.gz XWFKYPAAEIWZTK-SFHVURJKSA-N 1 0 314.454 4.219 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001198185519 1047935349 /nfs/dbraw/zinc/93/53/49/1047935349.db2.gz QLBDELJJMCKFBM-LPHOPBHVSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001198185521 1047936490 /nfs/dbraw/zinc/93/64/90/1047936490.db2.gz QLBDELJJMCKFBM-VQIMIIECSA-N 1 0 322.493 4.112 20 30 DIEDRO CC(C)([NH3+])c1ccc(Nc2ccc(C#N)c(Cl)c2F)cc1 ZINC001159854611 1047937760 /nfs/dbraw/zinc/93/77/60/1047937760.db2.gz WLURJSGOQQHZGK-UHFFFAOYSA-N 1 0 303.768 4.288 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC001183652262 1047951309 /nfs/dbraw/zinc/95/13/09/1047951309.db2.gz PNTMSHFCIAGVOF-WCCBULMPSA-N 1 0 322.496 4.136 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC001198406359 1047952994 /nfs/dbraw/zinc/95/29/94/1047952994.db2.gz JEBKTFKGSIQUSG-AWEZNQCLSA-N 1 0 306.837 4.018 20 30 DIEDRO CC1(C#N)CCN(Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000553879202 1047956216 /nfs/dbraw/zinc/95/62/16/1047956216.db2.gz MTMWGZJSRBQMMR-UHFFFAOYSA-N 1 0 318.289 4.109 20 30 DIEDRO C=CC[C@H]1CCN1Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC001198490415 1047963319 /nfs/dbraw/zinc/96/33/19/1047963319.db2.gz JVNJRYOMFZIRDG-INIZCTEOSA-N 1 0 315.848 4.044 20 30 DIEDRO CC(C)(C#N)CC[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000553905528 1047964042 /nfs/dbraw/zinc/96/40/42/1047964042.db2.gz KJSIDJMZGCQWBY-UHFFFAOYSA-N 1 0 307.441 4.066 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1Br ZINC001174771713 1047965640 /nfs/dbraw/zinc/96/56/40/1047965640.db2.gz UGZZBAQWJZNHLC-OKILXGFUSA-N 1 0 322.246 4.011 20 30 DIEDRO CSc1ccc(C[NH2+]C[C@H](C)c2ccc(C)cc2)cc1C#N ZINC001183798590 1047966132 /nfs/dbraw/zinc/96/61/32/1047966132.db2.gz GGSALLUIQWQTDQ-HNNXBMFYSA-N 1 0 310.466 4.482 20 30 DIEDRO CSc1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1C#N ZINC001183800247 1047968313 /nfs/dbraw/zinc/96/83/13/1047968313.db2.gz OSIRAOUNMHSOGA-ZWKOTPCHSA-N 1 0 308.450 4.173 20 30 DIEDRO N#Cc1cc(Nc2ccc(F)c3ccccc23)cc(C2C[NH2+]C2)c1 ZINC001160013216 1047968560 /nfs/dbraw/zinc/96/85/60/1047968560.db2.gz WMYWPNVTMSNRNS-UHFFFAOYSA-N 1 0 317.367 4.281 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1cc(F)cc(F)c1 ZINC001183802953 1047968861 /nfs/dbraw/zinc/96/88/61/1047968861.db2.gz YNAHEZAYKIOZLK-QWHCGFSZSA-N 1 0 300.352 4.291 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cnn(CC2CCC2)c1 ZINC001198551555 1047978069 /nfs/dbraw/zinc/97/80/69/1047978069.db2.gz FHWXFXFAFIHLCQ-INIZCTEOSA-N 1 0 314.477 4.198 20 30 DIEDRO C=CC[C@@H](C)[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001174844575 1047996359 /nfs/dbraw/zinc/99/63/59/1047996359.db2.gz DRGOEOUJCIREPW-OAHLLOKOSA-N 1 0 317.477 4.336 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160218172 1048000471 /nfs/dbraw/zinc/00/04/71/1048000471.db2.gz QYWGSTPLCTVHMU-IBGZPJMESA-N 1 0 321.424 4.050 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cc(Br)c(OC)s1 ZINC001184189324 1048004032 /nfs/dbraw/zinc/00/40/32/1048004032.db2.gz UXYYYQPDAPIYPF-UHFFFAOYSA-N 1 0 318.280 4.307 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)o1)Cc1cccc(Cl)c1 ZINC001174863682 1048007444 /nfs/dbraw/zinc/00/74/44/1048007444.db2.gz RYFVPFYQOVSYMS-UHFFFAOYSA-N 1 0 302.805 4.463 20 30 DIEDRO Cc1ccc(C)c(Nc2ccc(C3CC[NH2+]CC3)cc2)c1C#N ZINC001160257039 1048012775 /nfs/dbraw/zinc/01/27/75/1048012775.db2.gz RRJLEWDUEYXHGI-UHFFFAOYSA-N 1 0 305.425 4.386 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC001174891717 1048012917 /nfs/dbraw/zinc/01/29/17/1048012917.db2.gz VLURDDWSHVKDDS-ZDUSSCGKSA-N 1 0 302.418 4.347 20 30 DIEDRO C#Cc1ccc(N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC001184228869 1048014523 /nfs/dbraw/zinc/01/45/23/1048014523.db2.gz MVPLZLRXDBATMT-UNMCSNQZSA-N 1 0 316.448 4.448 20 30 DIEDRO C=CCCC[N@@H+]1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 ZINC001198843693 1048014762 /nfs/dbraw/zinc/01/47/62/1048014762.db2.gz AIDIHSDUWMHMCK-UHFFFAOYSA-N 1 0 316.445 4.358 20 30 DIEDRO Cc1c(C#N)cccc1Nc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC001160266947 1048018155 /nfs/dbraw/zinc/01/81/55/1048018155.db2.gz WCNMTTOXWRPRMC-QGZVFWFLSA-N 1 0 305.425 4.152 20 30 DIEDRO CC1(C)C[NH2+]Cc2cc(Nc3cccc(Cl)c3C#N)ccc21 ZINC001160284887 1048023171 /nfs/dbraw/zinc/02/31/71/1048023171.db2.gz KNGDIFQOCYEDJG-UHFFFAOYSA-N 1 0 311.816 4.336 20 30 DIEDRO CC1(C)C[NH2+]Cc2cc(Nc3ccc(Cl)c(C#N)c3)ccc21 ZINC001160286963 1048024049 /nfs/dbraw/zinc/02/40/49/1048024049.db2.gz VAGIXCPATKCADJ-UHFFFAOYSA-N 1 0 311.816 4.336 20 30 DIEDRO CCCCCCC[NH2+]Cc1ccccc1-n1nnc2ccccc21 ZINC001199022101 1048024760 /nfs/dbraw/zinc/02/47/60/1048024760.db2.gz UNPAEHNZJRYBEJ-UHFFFAOYSA-N 1 0 322.456 4.481 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001199052109 1048029634 /nfs/dbraw/zinc/02/96/34/1048029634.db2.gz CESMJODYGFPVDS-ZHALLVOQSA-N 1 0 311.473 4.073 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCNc1ccc(C(F)(F)F)cn1 ZINC001184398923 1048035558 /nfs/dbraw/zinc/03/55/58/1048035558.db2.gz PPBKCVPODKVCGZ-CYBMUJFWSA-N 1 0 315.383 4.237 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC3(c4ccccc4)CCC3)cc2)CC1 ZINC001199152168 1048038716 /nfs/dbraw/zinc/03/87/16/1048038716.db2.gz NJULOBLYCIFXAM-UHFFFAOYSA-N 1 0 316.448 4.453 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N[C@H](C#N)CC(C)C)nc1 ZINC001160364320 1048041191 /nfs/dbraw/zinc/04/11/91/1048041191.db2.gz AERTZQVMIOXJOQ-ROUUACIJSA-N 1 0 314.477 4.369 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1nc2ccccc2n1C(F)F ZINC001184453364 1048042147 /nfs/dbraw/zinc/04/21/47/1048042147.db2.gz VZMSPPYYGPVXTH-PNESKVBLSA-N 1 0 318.371 4.164 20 30 DIEDRO CC(C)c1cccc(F)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001160395685 1048046236 /nfs/dbraw/zinc/04/62/36/1048046236.db2.gz BYQWKDGTPIQAOV-UHFFFAOYSA-N 1 0 309.388 4.251 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC001199376383 1048062369 /nfs/dbraw/zinc/06/23/69/1048062369.db2.gz GNHKLCMVCBINGF-AEFFLSMTSA-N 1 0 316.514 4.074 20 30 DIEDRO C=CC1CC[NH+](CC(=O)N(CC)c2cccc3ccccc32)CC1 ZINC000554364537 1048079303 /nfs/dbraw/zinc/07/93/03/1048079303.db2.gz HYTUWEBFOBLRFQ-UHFFFAOYSA-N 1 0 322.452 4.091 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1ccc(Cl)cn1)C(C)C ZINC000480271252 1048108715 /nfs/dbraw/zinc/10/87/15/1048108715.db2.gz YSBYDAPHYBLRPX-CRAIPNDOSA-N 1 0 321.896 4.084 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC001185037973 1048122403 /nfs/dbraw/zinc/12/24/03/1048122403.db2.gz YTQPKZKMPZJWSA-RDJZCZTQSA-N 1 0 323.415 4.253 20 30 DIEDRO C#CCCC[NH2+][C@H](c1ccc(OCC)c(OCC)c1)C(C)C ZINC000774827923 1048125552 /nfs/dbraw/zinc/12/55/52/1048125552.db2.gz QGUREWANKQOHJU-IBGZPJMESA-N 1 0 303.446 4.184 20 30 DIEDRO CC[C@@H](C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000480353063 1048125817 /nfs/dbraw/zinc/12/58/17/1048125817.db2.gz BMZMZTQUWZNUNW-ACJLOTCBSA-N 1 0 315.848 4.427 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]CCCOc2ccc(C#N)cc2)cc1 ZINC000774833817 1048133852 /nfs/dbraw/zinc/13/38/52/1048133852.db2.gz DVLZUXKUSHEINT-INIZCTEOSA-N 1 0 324.424 4.077 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C ZINC001161493757 1048134229 /nfs/dbraw/zinc/13/42/29/1048134229.db2.gz HKVHWLJCMDNIHX-ROUUACIJSA-N 1 0 322.537 4.458 20 30 DIEDRO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000105496483 1048139917 /nfs/dbraw/zinc/13/99/17/1048139917.db2.gz IUJWPDFQTNLPSF-YWZLYKJASA-N 1 0 306.409 4.063 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(N[C@H](C#N)c2ccccc2)nc1 ZINC001161718302 1048158891 /nfs/dbraw/zinc/15/88/91/1048158891.db2.gz UIKGCQHZFWNEHX-QFBILLFUSA-N 1 0 320.440 4.133 20 30 DIEDRO N#C[C@@H](Nc1cccc2c1C1(C=C2)CC[NH2+]CC1)c1ccccc1 ZINC001161718347 1048159088 /nfs/dbraw/zinc/15/90/88/1048159088.db2.gz NECJHPZGTIUSFC-LJQANCHMSA-N 1 0 315.420 4.011 20 30 DIEDRO N#C[C@H](Nc1ccc(F)c(C[NH+]2CCCC2)c1)c1ccccc1 ZINC001161724524 1048162526 /nfs/dbraw/zinc/16/25/26/1048162526.db2.gz ALUNFLULMKPIQB-IBGZPJMESA-N 1 0 309.388 4.098 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC001175140472 1048164092 /nfs/dbraw/zinc/16/40/92/1048164092.db2.gz NVIGNJGDUVOBTK-UHFFFAOYSA-N 1 0 322.374 4.393 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000480535582 1048170672 /nfs/dbraw/zinc/17/06/72/1048170672.db2.gz KRBZGLOTLLVXDT-GOSISDBHSA-N 1 0 318.848 4.135 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480557363 1048178575 /nfs/dbraw/zinc/17/85/75/1048178575.db2.gz RJROOENWTWGWSR-UHFFFAOYSA-N 1 0 314.404 4.198 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCOCC)C1 ZINC001201035471 1048182539 /nfs/dbraw/zinc/18/25/39/1048182539.db2.gz GROJEBGJDXBPHJ-PKOBYXMFSA-N 1 0 317.473 4.245 20 30 DIEDRO C#Cc1ccc(CNc2ccccc2OCC[NH+](CC)CC)cc1 ZINC001201140502 1048199523 /nfs/dbraw/zinc/19/95/23/1048199523.db2.gz AETZGSKZLJUHPF-UHFFFAOYSA-N 1 0 322.452 4.001 20 30 DIEDRO Cc1ccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccccc2)cc1 ZINC000480644026 1048202322 /nfs/dbraw/zinc/20/23/22/1048202322.db2.gz UUCVCGNFEIUNGQ-OAQYLSRUSA-N 1 0 315.420 4.084 20 30 DIEDRO C=C(C)c1ccc(N(CC[NH3+])c2cccc3ccccc32)nc1 ZINC001162004868 1048211993 /nfs/dbraw/zinc/21/19/93/1048211993.db2.gz JZBROYMMRFBEBY-UHFFFAOYSA-N 1 0 303.409 4.365 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000480678726 1048214843 /nfs/dbraw/zinc/21/48/43/1048214843.db2.gz ACPMSEKLPOCBEP-NSHDSACASA-N 1 0 319.246 4.084 20 30 DIEDRO CCC(CC)[C@H](CNc1cc(C)cc(F)c1C#N)[NH+]1CCCC1 ZINC001162073440 1048221482 /nfs/dbraw/zinc/22/14/82/1048221482.db2.gz HPVAOXDHSJVVNT-IBGZPJMESA-N 1 0 317.452 4.318 20 30 DIEDRO C[C@@H]([NH2+]CCCCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000776153838 1048233238 /nfs/dbraw/zinc/23/32/38/1048233238.db2.gz GMDVGFOJYJIDBB-QGZVFWFLSA-N 1 0 308.425 4.262 20 30 DIEDRO COCCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CCCCC1 ZINC000480755043 1048233913 /nfs/dbraw/zinc/23/39/13/1048233913.db2.gz ZXIIRTHMKHLEHT-OAHLLOKOSA-N 1 0 318.436 4.335 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@H](OCC)C1(CC)CC)c1ccncc1 ZINC000776154634 1048236693 /nfs/dbraw/zinc/23/66/93/1048236693.db2.gz BMHHOKUFOUQPBK-KSZLIROESA-N 1 0 302.462 4.272 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776155385 1048237937 /nfs/dbraw/zinc/23/79/37/1048237937.db2.gz GJTLRRIRZWXFCX-IKGGRYGDSA-N 1 0 300.446 4.456 20 30 DIEDRO C=CC[N@@H+](CCC(=O)c1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000480780686 1048240705 /nfs/dbraw/zinc/24/07/05/1048240705.db2.gz PMMDMGBFVIJFAU-UHFFFAOYSA-N 1 0 318.420 4.128 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@@H](OCCCC)C1(C)C)c1ccncc1 ZINC000776157153 1048243645 /nfs/dbraw/zinc/24/36/45/1048243645.db2.gz OJFNJXFUQPEWOA-RCCFBDPRSA-N 1 0 302.462 4.272 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2cc(C(F)(F)F)ccc2C#N)c1 ZINC001201399382 1048250692 /nfs/dbraw/zinc/25/06/92/1048250692.db2.gz FDQRVYNZDPPZPD-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2c(F)cc(C#N)cc2Cl)c1 ZINC001201402178 1048251892 /nfs/dbraw/zinc/25/18/92/1048251892.db2.gz FSSRTZXQVSLGOH-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000776167342 1048266104 /nfs/dbraw/zinc/26/61/04/1048266104.db2.gz CQZLZKZKTLBMAV-CVEARBPZSA-N 1 0 320.452 4.058 20 30 DIEDRO N#Cc1cc(F)cc(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001175367656 1048281031 /nfs/dbraw/zinc/28/10/31/1048281031.db2.gz RMQJWPZSPXPSDH-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2cccc(C)c2C)CCCCC1 ZINC001175371423 1048283347 /nfs/dbraw/zinc/28/33/47/1048283347.db2.gz FYIZUBZDAARFJD-UHFFFAOYSA-N 1 0 300.446 4.111 20 30 DIEDRO CC(C)(C)[PH+](CCCNc1cncc(CC#N)n1)C(C)(C)C ZINC001162472804 1048286334 /nfs/dbraw/zinc/28/63/34/1048286334.db2.gz BTNVTGNFQJKSOE-UHFFFAOYSA-N 1 0 320.421 4.424 20 30 DIEDRO CC[C@H](C)C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001201513820 1048293370 /nfs/dbraw/zinc/29/33/70/1048293370.db2.gz BZEHVUMKMQSYAN-ZDUSSCGKSA-N 1 0 306.837 4.101 20 30 DIEDRO CC(C)CSCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001201480900 1048296414 /nfs/dbraw/zinc/29/64/14/1048296414.db2.gz NBTNOGPWNRDXFH-UHFFFAOYSA-N 1 0 304.503 4.357 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000481054846 1048303350 /nfs/dbraw/zinc/30/33/50/1048303350.db2.gz KPWFHCXVZGBCSM-BBRMVZONSA-N 1 0 319.246 4.085 20 30 DIEDRO CC[C@@H](C)C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001201516880 1048306537 /nfs/dbraw/zinc/30/65/37/1048306537.db2.gz FQLJDYNVTJFRLQ-QGZVFWFLSA-N 1 0 317.436 4.478 20 30 DIEDRO N#Cc1ccc(F)cc1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001162585123 1048307285 /nfs/dbraw/zinc/30/72/85/1048307285.db2.gz ZJKMEVYGQOHZNN-FQEVSTJZSA-N 1 0 323.415 4.336 20 30 DIEDRO CCCCCCCCCCCC[NH+]1CCN(CCC#N)CC1 ZINC001201631673 1048327030 /nfs/dbraw/zinc/32/70/30/1048327030.db2.gz XEUSWCZAZKFYKL-UHFFFAOYSA-N 1 0 307.526 4.439 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC(n2cnnc2)CC1 ZINC001201630855 1048327594 /nfs/dbraw/zinc/32/75/94/1048327594.db2.gz FBAUMILBWMOWHM-UHFFFAOYSA-N 1 0 306.498 4.446 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC2(COC(=O)N2)CC1 ZINC001201630575 1048328643 /nfs/dbraw/zinc/32/86/43/1048328643.db2.gz CEYCWMUTCFHBQD-UHFFFAOYSA-N 1 0 310.482 4.092 20 30 DIEDRO CC(C)(C)C(=[NH2+])Nc1cc(Br)cc(Cl)c1C#N ZINC001162664277 1048332368 /nfs/dbraw/zinc/33/23/68/1048332368.db2.gz BBRFYWYURPRAPW-UHFFFAOYSA-N 1 0 314.614 4.409 20 30 DIEDRO Cc1ccc2c(C3=CC[N@@H+]([C@H]4CC[C@H](C#N)C4)CC3)c[nH]c2c1 ZINC000555404143 1048339690 /nfs/dbraw/zinc/33/96/90/1048339690.db2.gz BJLAKPQNKDKLDY-RDJZCZTQSA-N 1 0 305.425 4.258 20 30 DIEDRO Cc1cc(C#N)ccc1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175506193 1048339832 /nfs/dbraw/zinc/33/98/32/1048339832.db2.gz YDPQFRPEPSKEDD-UHFFFAOYSA-N 1 0 303.409 4.068 20 30 DIEDRO Cc1cc(C#N)c(NC2=CC[N@H+](Cc3ccccc3)CC2)s1 ZINC001175505978 1048341181 /nfs/dbraw/zinc/34/11/81/1048341181.db2.gz XTHSCKUOJZLIIU-UHFFFAOYSA-N 1 0 309.438 4.130 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ccncc2C)cc1 ZINC001162723639 1048341885 /nfs/dbraw/zinc/34/18/85/1048341885.db2.gz WDVSUXXDGBTGDE-FQEVSTJZSA-N 1 0 307.441 4.325 20 30 DIEDRO C[C@@H]1CCC[N@H+](CCCCNc2cccc(Cl)c2C#N)C1 ZINC000555415252 1048341848 /nfs/dbraw/zinc/34/18/48/1048341848.db2.gz LHUGUKQJLCGDOD-CQSZACIVSA-N 1 0 305.853 4.136 20 30 DIEDRO CC(C)(C)SCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000810142936 1048362660 /nfs/dbraw/zinc/36/26/60/1048362660.db2.gz XPALQDHBAZADCH-UHFFFAOYSA-N 1 0 316.392 4.198 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000481322808 1048367661 /nfs/dbraw/zinc/36/76/61/1048367661.db2.gz UCFLEQSMJFXFTN-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO C[C@]1(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCCS1 ZINC000600121499 1048368197 /nfs/dbraw/zinc/36/81/97/1048368197.db2.gz VFHXGRXUCQYJLS-OKZBNKHCSA-N 1 0 300.471 4.044 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001201761866 1048368712 /nfs/dbraw/zinc/36/87/12/1048368712.db2.gz STVDGCRJHOBFLP-UHFFFAOYSA-N 1 0 324.509 4.432 20 30 DIEDRO CCCCCCC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001201762243 1048371506 /nfs/dbraw/zinc/37/15/06/1048371506.db2.gz CGVISJLRWGPARP-UHFFFAOYSA-N 1 0 312.498 4.288 20 30 DIEDRO Cc1ccc([C@@H](C)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000600157872 1048373677 /nfs/dbraw/zinc/37/36/77/1048373677.db2.gz AQAMFLJSBMUZOV-SFHVURJKSA-N 1 0 319.452 4.051 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001201804709 1048374057 /nfs/dbraw/zinc/37/40/57/1048374057.db2.gz RDCAROUZNZWCOL-KGLIPLIRSA-N 1 0 313.379 4.074 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001201804737 1048374483 /nfs/dbraw/zinc/37/44/83/1048374483.db2.gz RLWOTYCKTATZCX-LSDHHAIUSA-N 1 0 309.416 4.372 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCC(C)(C)C#N ZINC000481341019 1048374311 /nfs/dbraw/zinc/37/43/11/1048374311.db2.gz GHUXKEXIMDDLJX-XJKSGUPXSA-N 1 0 308.853 4.336 20 30 DIEDRO CCCCCCC[NH+]1CCC(N(C)C(=O)c2ccccc2)CC1 ZINC001201798067 1048374790 /nfs/dbraw/zinc/37/47/90/1048374790.db2.gz NNTHDQHKQMDSTJ-UHFFFAOYSA-N 1 0 316.489 4.193 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCC(C)(C)C#N ZINC000481340999 1048375132 /nfs/dbraw/zinc/37/51/32/1048375132.db2.gz GHUXKEXIMDDLJX-BBRMVZONSA-N 1 0 308.853 4.336 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CCC(=O)N2CC2CC2)CC1 ZINC001201814423 1048377220 /nfs/dbraw/zinc/37/72/20/1048377220.db2.gz PBCYSFVULWHCLX-UHFFFAOYSA-N 1 0 320.521 4.214 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CCn3c(C)cnc32)CC1 ZINC001201814868 1048377322 /nfs/dbraw/zinc/37/73/22/1048377322.db2.gz SRVFEMUQZMVUKF-UHFFFAOYSA-N 1 0 303.494 4.289 20 30 DIEDRO CCCCCCC[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201787218 1048378905 /nfs/dbraw/zinc/37/89/05/1048378905.db2.gz ADTUGTSAQRCNAP-MRXNPFEDSA-N 1 0 312.498 4.146 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001201787792 1048379476 /nfs/dbraw/zinc/37/94/76/1048379476.db2.gz MIFLTNQPOBFQSD-LBPRGKRZSA-N 1 0 319.371 4.238 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC001201787962 1048379527 /nfs/dbraw/zinc/37/95/27/1048379527.db2.gz QGYCJZDQINXSTP-UHFFFAOYSA-N 1 0 315.457 4.457 20 30 DIEDRO C=CC[C@@H](Nc1cc(N2CCCC2)nc(C)[nH+]1)c1ccccc1 ZINC001162901871 1048380999 /nfs/dbraw/zinc/38/09/99/1048380999.db2.gz GFLVNOBVNFXBDZ-QGZVFWFLSA-N 1 0 308.429 4.115 20 30 DIEDRO C=CC[C@@H](Nc1cc(Cl)nc2c1CC[NH2+]C2)c1ccccc1 ZINC001162905509 1048382423 /nfs/dbraw/zinc/38/24/23/1048382423.db2.gz FUCVTRZNIARROC-OAHLLOKOSA-N 1 0 313.832 4.110 20 30 DIEDRO CCCCCCCC[NH+]1CCN(CCOc2ccccc2)CC1 ZINC001201825671 1048383351 /nfs/dbraw/zinc/38/33/51/1048383351.db2.gz BUKAHYODTZZMNA-UHFFFAOYSA-N 1 0 318.505 4.044 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncc3ccccc3c2C#N)c1 ZINC001162903975 1048383565 /nfs/dbraw/zinc/38/35/65/1048383565.db2.gz RZGIDVTUKMRGIL-CYBMUJFWSA-N 1 0 312.376 4.070 20 30 DIEDRO CCCCCCCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001201826030 1048383857 /nfs/dbraw/zinc/38/38/57/1048383857.db2.gz KZYCWNQGMWNJLO-UHFFFAOYSA-N 1 0 307.453 4.470 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001201825993 1048384114 /nfs/dbraw/zinc/38/41/14/1048384114.db2.gz KOEOCYOLIXPHEH-LJQANCHMSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001201838864 1048384857 /nfs/dbraw/zinc/38/48/57/1048384857.db2.gz FNPMMTLQEQBKBF-KRWDZBQOSA-N 1 0 321.509 4.106 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncc(C#N)c3ccsc32)c1 ZINC001162908244 1048385032 /nfs/dbraw/zinc/38/50/32/1048385032.db2.gz CDSGDZJPAZQGKO-LLVKDONJSA-N 1 0 318.405 4.132 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001201838866 1048385818 /nfs/dbraw/zinc/38/58/18/1048385818.db2.gz FNPMMTLQEQBKBF-QGZVFWFLSA-N 1 0 321.509 4.106 20 30 DIEDRO CCCCCCCCC[NH+]1CCC2(CCC(=O)N2CC)CC1 ZINC001201839270 1048386150 /nfs/dbraw/zinc/38/61/50/1048386150.db2.gz JOCJWDVPRABISR-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001201840272 1048386591 /nfs/dbraw/zinc/38/65/91/1048386591.db2.gz XPUGLROPUPLVLG-QGZVFWFLSA-N 1 0 321.509 4.106 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001201839655 1048388155 /nfs/dbraw/zinc/38/81/55/1048388155.db2.gz OUNOKRMQRLVNMV-GOSISDBHSA-N 1 0 321.509 4.106 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(N(C)C(=O)CC)CC1 ZINC001201875357 1048393846 /nfs/dbraw/zinc/39/38/46/1048393846.db2.gz WOYBTJCZTXTNKZ-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001201874656 1048393903 /nfs/dbraw/zinc/39/39/03/1048393903.db2.gz BQUAAVSZABNSQQ-ZWKOTPCHSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001201874625 1048394003 /nfs/dbraw/zinc/39/40/03/1048394003.db2.gz AQSQQRCESPONMY-UHFFFAOYSA-N 1 0 308.510 4.118 20 30 DIEDRO C=CCSCC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC001201939321 1048397638 /nfs/dbraw/zinc/39/76/38/1048397638.db2.gz OYOHVIZNJAEDEA-UHFFFAOYSA-N 1 0 319.301 4.068 20 30 DIEDRO CC(C)[Si](C#CN[C@@]12CCC[C@@H]1[NH2+]CC2)(C(C)C)C(C)C ZINC001162984909 1048399920 /nfs/dbraw/zinc/39/99/20/1048399920.db2.gz VJZXNWSGLPVYLO-ZWKOTPCHSA-N 1 0 306.570 4.040 20 30 DIEDRO Cn1cc(C[NH2+][C@@H]2CCCC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001201954888 1048409829 /nfs/dbraw/zinc/40/98/29/1048409829.db2.gz WWYYININBKNPGG-GOSISDBHSA-N 1 0 322.456 4.017 20 30 DIEDRO CCCc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001175715883 1048420901 /nfs/dbraw/zinc/42/09/01/1048420901.db2.gz IPXKMCADCQXSEN-UHFFFAOYSA-N 1 0 311.454 4.304 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCc3cc(F)c(F)cc3C2)CCC1 ZINC001175740694 1048431671 /nfs/dbraw/zinc/43/16/71/1048431671.db2.gz AYHKDYDZRIIPEM-UHFFFAOYSA-N 1 0 304.384 4.187 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1 ZINC001202084004 1048444904 /nfs/dbraw/zinc/44/49/04/1048444904.db2.gz OZSIGIDFUNYEDT-RTBURBONSA-N 1 0 319.489 4.285 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1ccnc(N(C)C)c1)c1ccccc1 ZINC001175775258 1048448452 /nfs/dbraw/zinc/44/84/52/1048448452.db2.gz PWMIPJSCQNGKFZ-LJQANCHMSA-N 1 0 309.457 4.335 20 30 DIEDRO CC(C)c1cccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001175774154 1048449346 /nfs/dbraw/zinc/44/93/46/1048449346.db2.gz TVXMWBNQMDEHKE-UHFFFAOYSA-N 1 0 311.454 4.475 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)C1 ZINC001202111100 1048465697 /nfs/dbraw/zinc/46/56/97/1048465697.db2.gz MDGKLGVDLUDXAG-GXTWGEPZSA-N 1 0 303.837 4.061 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001202183150 1048473050 /nfs/dbraw/zinc/47/30/50/1048473050.db2.gz ADRPMJGJOKUBQN-KRWDZBQOSA-N 1 0 318.461 4.156 20 30 DIEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@@H]1C ZINC001202204338 1048480022 /nfs/dbraw/zinc/48/00/22/1048480022.db2.gz UHJRRXPFEWDBEC-LMMKCTJWSA-N 1 0 313.489 4.198 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC000481808353 1048492372 /nfs/dbraw/zinc/49/23/72/1048492372.db2.gz AFPVLWFGUBVPNP-GOEBONIOSA-N 1 0 312.363 4.262 20 30 DIEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC1(C#N)CC1 ZINC000481846960 1048502981 /nfs/dbraw/zinc/50/29/81/1048502981.db2.gz ULTSDHANOYKHEH-CQSZACIVSA-N 1 0 321.262 4.006 20 30 DIEDRO Cc1noc2ccc(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)cc12 ZINC001163683804 1048503224 /nfs/dbraw/zinc/50/32/24/1048503224.db2.gz JNKQHPVCXGZNCC-UHFFFAOYSA-N 1 0 319.286 4.192 20 30 DIEDRO CNc1cccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c1C ZINC001163684768 1048503253 /nfs/dbraw/zinc/50/32/53/1048503253.db2.gz BFPHXNKTZBTQCL-UHFFFAOYSA-N 1 0 307.319 4.093 20 30 DIEDRO [NH2+]=C(Nc1ccc2ccncc2c1)c1ccc(C(F)(F)F)cc1 ZINC001163680342 1048503787 /nfs/dbraw/zinc/50/37/87/1048503787.db2.gz ORWADQDTMKICGM-UHFFFAOYSA-N 1 0 315.298 4.291 20 30 DIEDRO COc1cccc(C)c1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163684929 1048504076 /nfs/dbraw/zinc/50/40/76/1048504076.db2.gz DOIUNSAIUWNPJA-UHFFFAOYSA-N 1 0 308.303 4.059 20 30 DIEDRO [NH2+]=C(Nc1ccc(OC2CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163684036 1048504220 /nfs/dbraw/zinc/50/42/20/1048504220.db2.gz NLYXUFWNXYXOHG-UHFFFAOYSA-N 1 0 320.314 4.284 20 30 DIEDRO CCC[C@H](C[NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC001202288781 1048512356 /nfs/dbraw/zinc/51/23/56/1048512356.db2.gz JGCHKKFRAIPNPE-LJQANCHMSA-N 1 0 308.425 4.240 20 30 DIEDRO Cc1cc(C)cc(CNc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001163752986 1048517932 /nfs/dbraw/zinc/51/79/32/1048517932.db2.gz FGQUTBFJELOXGD-LPYMAVHISA-N 1 0 306.413 4.009 20 30 DIEDRO Cc1c(C)n(-c2ccc(CCC#N)cc2)c2ccc(C[NH3+])cc12 ZINC001163761007 1048518974 /nfs/dbraw/zinc/51/89/74/1048518974.db2.gz CFFRIFQYLGCCAJ-UHFFFAOYSA-N 1 0 303.409 4.162 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cnn(Cc3ccccc3)c2)CCCC1 ZINC001202381213 1048539504 /nfs/dbraw/zinc/53/95/04/1048539504.db2.gz LLWPQVIUWWJPNI-UHFFFAOYSA-N 1 0 309.457 4.158 20 30 DIEDRO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000775203826 1048558872 /nfs/dbraw/zinc/55/88/72/1048558872.db2.gz IHPLDABZOATOSH-MSOLQXFVSA-N 1 0 322.452 4.349 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC(=O)C(C)(C)C)cc1 ZINC001164007683 1048568753 /nfs/dbraw/zinc/56/87/53/1048568753.db2.gz JLBTZHYQEOENRN-QGZVFWFLSA-N 1 0 300.446 4.037 20 30 DIEDRO CC(C)[N@H+](CCOCCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000338920132 1048583072 /nfs/dbraw/zinc/58/30/72/1048583072.db2.gz XSXJBRVYYNLXON-UHFFFAOYSA-N 1 0 315.244 4.134 20 30 DIEDRO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1C[C@H]1C ZINC001204169779 1048579668 /nfs/dbraw/zinc/57/96/68/1048579668.db2.gz BALVSUDNDHAGRE-VXGBXAGGSA-N 1 0 312.226 4.232 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CCCCCCCCO ZINC001252141308 1048596699 /nfs/dbraw/zinc/59/66/99/1048596699.db2.gz YBUSFDKWSHTPFS-GOSISDBHSA-N 1 0 301.515 4.020 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](C)CCC=C(C)C)cc(OC)c1O ZINC001202475238 1048598815 /nfs/dbraw/zinc/59/88/15/1048598815.db2.gz QSFXNAQKNQUKEB-OAHLLOKOSA-N 1 0 303.446 4.354 20 30 DIEDRO Cc1cc(OCc2cccc(C[NH+]3CCCCC3)c2)ccc1C#N ZINC001189245762 1048606685 /nfs/dbraw/zinc/60/66/85/1048606685.db2.gz PDZNNKMJYBOQRG-UHFFFAOYSA-N 1 0 320.436 4.432 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2cccc(C(F)(F)F)c2C#N)cc1 ZINC001176293031 1048621857 /nfs/dbraw/zinc/62/18/57/1048621857.db2.gz CXWWWHMMAIBFNV-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775253938 1048628458 /nfs/dbraw/zinc/62/84/58/1048628458.db2.gz CQJIKYQYGNIKNW-KRWDZBQOSA-N 1 0 304.478 4.144 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000850252749 1048628354 /nfs/dbraw/zinc/62/83/54/1048628354.db2.gz VYPFEWCOBGAOAJ-INIZCTEOSA-N 1 0 319.452 4.159 20 30 DIEDRO C[C@@]1(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1(Cl)Cl ZINC000850314934 1048632497 /nfs/dbraw/zinc/63/24/97/1048632497.db2.gz ILWBKKQGAAGYGL-OAHLLOKOSA-N 1 0 323.267 4.305 20 30 DIEDRO N#C[C@H](S[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001189583332 1048643830 /nfs/dbraw/zinc/64/38/30/1048643830.db2.gz OBNLLONXTMOPCM-OALUTQOASA-N 1 0 314.498 4.467 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(C(OC)OC)ccc2F)CCCC1 ZINC000850388416 1048645790 /nfs/dbraw/zinc/64/57/90/1048645790.db2.gz BQSHGCWIAVGECG-UHFFFAOYSA-N 1 0 307.409 4.096 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)cc1 ZINC000850427954 1048653945 /nfs/dbraw/zinc/65/39/45/1048653945.db2.gz IKPBLEXFZNBUDJ-CABCVRRESA-N 1 0 306.409 4.295 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1ccccc1 ZINC000850448356 1048659906 /nfs/dbraw/zinc/65/99/06/1048659906.db2.gz MZMMTRROIDEBLJ-XJKSGUPXSA-N 1 0 300.352 4.434 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)c1 ZINC000775305116 1048660362 /nfs/dbraw/zinc/66/03/62/1048660362.db2.gz KSDFSIKLGHGHCI-ILZDJORESA-N 1 0 312.457 4.450 20 30 DIEDRO C#CCC1([NH2+]Cc2oc(-c3ccccc3)nc2C)CCCCC1 ZINC001176431642 1048669869 /nfs/dbraw/zinc/66/98/69/1048669869.db2.gz HUVTWYVNSQDWPB-UHFFFAOYSA-N 1 0 308.425 4.466 20 30 DIEDRO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)[nH]n1 ZINC001176484336 1048695411 /nfs/dbraw/zinc/69/54/11/1048695411.db2.gz FWNJGJGCZSGSFH-IBGZPJMESA-N 1 0 322.456 4.247 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000482906543 1048702891 /nfs/dbraw/zinc/70/28/91/1048702891.db2.gz WOIVQMDRJGUZBT-HXUWFJFHSA-N 1 0 323.436 4.427 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000924782308 1048704232 /nfs/dbraw/zinc/70/42/32/1048704232.db2.gz MHQDBQLMQIOMDX-NJAFHUGGSA-N 1 0 300.446 4.072 20 30 DIEDRO CC(C)(Nc1cc(N2CCCCC2)cc[nH+]1)c1ccc(C#N)cc1 ZINC001165743729 1048712601 /nfs/dbraw/zinc/71/26/01/1048712601.db2.gz YIEQRKPTVUZZQR-UHFFFAOYSA-N 1 0 320.440 4.291 20 30 DIEDRO Cc1cccc(NC2CCN(Cc3cc(F)ccc3C#N)CC2)c1 ZINC000160582763 1048716142 /nfs/dbraw/zinc/71/61/42/1048716142.db2.gz PFJRTQMZGIHQGU-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160650813 1048725935 /nfs/dbraw/zinc/72/59/35/1048725935.db2.gz ROIMUDDPVRRNDI-NSHDSACASA-N 1 0 304.315 4.169 20 30 DIEDRO CCN(C)c1ccccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775384781 1048733700 /nfs/dbraw/zinc/73/37/00/1048733700.db2.gz GLCMJYXOMMDBRB-FQEVSTJZSA-N 1 0 319.452 4.182 20 30 DIEDRO CC(C)c1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000483149532 1048747327 /nfs/dbraw/zinc/74/73/27/1048747327.db2.gz VMYDFMJWURMKNR-UHFFFAOYSA-N 1 0 307.441 4.185 20 30 DIEDRO C#CC[N@@H+](CCCc1ccccc1OC)[C@H]1CCc2ccccc21 ZINC001190526712 1048748077 /nfs/dbraw/zinc/74/80/77/1048748077.db2.gz CNUCOMAXJOJTIF-NRFANRHFSA-N 1 0 319.448 4.251 20 30 DIEDRO N#Cc1ccc(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC001166393883 1048750112 /nfs/dbraw/zinc/75/01/12/1048750112.db2.gz WLKSPDRRUDBHNC-SFHVURJKSA-N 1 0 312.438 4.049 20 30 DIEDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775396986 1048751826 /nfs/dbraw/zinc/75/18/26/1048751826.db2.gz ZQMPTPGALQTIQM-NRFANRHFSA-N 1 0 319.452 4.100 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(C(=O)OC(C)C)cc1)c1ccccc1 ZINC000775400187 1048764103 /nfs/dbraw/zinc/76/41/03/1048764103.db2.gz XFSVCXOHOXUCFP-FQEVSTJZSA-N 1 0 321.420 4.106 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000483258182 1048765335 /nfs/dbraw/zinc/76/53/35/1048765335.db2.gz SQEWZFVERACVEN-PMACEKPBSA-N 1 0 307.441 4.055 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483279722 1048770770 /nfs/dbraw/zinc/77/07/70/1048770770.db2.gz IFTLTACKAPJGAJ-KBPBESRZSA-N 1 0 315.848 4.174 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cccc(C4CC4)c3)sc2C1 ZINC001176725583 1048772511 /nfs/dbraw/zinc/77/25/11/1048772511.db2.gz UBWFLQPRYJFWGG-UHFFFAOYSA-N 1 0 309.438 4.229 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Br)cc1)C1CCCCC1 ZINC001190708747 1048774235 /nfs/dbraw/zinc/77/42/35/1048774235.db2.gz VBUPGWJCXHFSQC-UHFFFAOYSA-N 1 0 306.247 4.217 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cc1 ZINC001190683594 1048777670 /nfs/dbraw/zinc/77/76/70/1048777670.db2.gz XJLRWTUJJXRJAL-QGZVFWFLSA-N 1 0 310.466 4.383 20 30 DIEDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000775408917 1048781813 /nfs/dbraw/zinc/78/18/13/1048781813.db2.gz XQTKQKOBAWKLPC-FOIQADDNSA-N 1 0 306.409 4.002 20 30 DIEDRO COc1ccc([C@@H]2CC[N@H+](Cc3c(C)cc(C#N)cc3C)C2)cc1 ZINC001190746620 1048782053 /nfs/dbraw/zinc/78/20/53/1048782053.db2.gz YMBZJIRGHKVFQI-LJQANCHMSA-N 1 0 320.436 4.173 20 30 DIEDRO COc1ccc(C[C@H](C)[N@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC001190753259 1048782733 /nfs/dbraw/zinc/78/27/33/1048782733.db2.gz RPSMVJZMEHSMIY-KRWDZBQOSA-N 1 0 314.473 4.422 20 30 DIEDRO C=CC[N@@H+](CCCC)Cc1cc(Br)ccc1F ZINC001190753821 1048783613 /nfs/dbraw/zinc/78/36/13/1048783613.db2.gz WLQCCAZCTOKUAZ-UHFFFAOYSA-N 1 0 300.215 4.376 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC001176813900 1048791489 /nfs/dbraw/zinc/79/14/89/1048791489.db2.gz HVZBVIFDEUSJBB-OAHLLOKOSA-N 1 0 317.230 4.148 20 30 DIEDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000483431379 1048792162 /nfs/dbraw/zinc/79/21/62/1048792162.db2.gz MFFCFSBKQHPTCR-HXUWFJFHSA-N 1 0 308.400 4.055 20 30 DIEDRO CCCCCCCCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000851645682 1048792913 /nfs/dbraw/zinc/79/29/13/1048792913.db2.gz MRTWBKLONXXLFD-GOSISDBHSA-N 1 0 318.461 4.037 20 30 DIEDRO C[N@H+](CCCCC1(C#N)CCC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC001176837245 1048794535 /nfs/dbraw/zinc/79/45/35/1048794535.db2.gz HZUSAPJODMVPOO-UHFFFAOYSA-N 1 0 322.456 4.373 20 30 DIEDRO CCCCCCCCC[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001176872258 1048797881 /nfs/dbraw/zinc/79/78/81/1048797881.db2.gz VWJNDIXWWDOHBN-WOJBJXKFSA-N 1 0 303.490 4.272 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC001204180109 1048798617 /nfs/dbraw/zinc/79/86/17/1048798617.db2.gz GWESDQOPZNWUCZ-UHFFFAOYSA-N 1 0 312.379 4.169 20 30 DIEDRO CCCCCCC[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001190924714 1048799366 /nfs/dbraw/zinc/79/93/66/1048799366.db2.gz MVOCRMROSPANFK-GOSISDBHSA-N 1 0 318.505 4.344 20 30 DIEDRO C[C@H]1CC[C@@](CO)([NH2+]CCCCC(C)(C)C#N)c2ccccc21 ZINC001176933447 1048802406 /nfs/dbraw/zinc/80/24/06/1048802406.db2.gz XQZFIXYBRWPHSF-JXFKEZNVSA-N 1 0 314.473 4.081 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001176933133 1048803689 /nfs/dbraw/zinc/80/36/89/1048803689.db2.gz VDKQVZZOOQHRTN-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001176933134 1048804382 /nfs/dbraw/zinc/80/43/82/1048804382.db2.gz VDKQVZZOOQHRTN-LJQANCHMSA-N 1 0 322.493 4.208 20 30 DIEDRO C=CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC1CCCCC1 ZINC001190984674 1048810436 /nfs/dbraw/zinc/81/04/36/1048810436.db2.gz KWOMMLZXYNSOPI-HKUYNNGSSA-N 1 0 320.521 4.092 20 30 DIEDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000851919734 1048812324 /nfs/dbraw/zinc/81/23/24/1048812324.db2.gz ODUNXFBOPSJXTK-IWMITWMQSA-N 1 0 320.436 4.443 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)c1cccc(OC)c1 ZINC000483513660 1048812703 /nfs/dbraw/zinc/81/27/03/1048812703.db2.gz OJJWQZOISZRXKJ-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO Cc1cc(CC#N)ccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166911034 1048812626 /nfs/dbraw/zinc/81/26/26/1048812626.db2.gz RSLWJJRXQVYVOP-OAQYLSRUSA-N 1 0 319.452 4.310 20 30 DIEDRO Cc1cc(CC#N)ccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166911032 1048813225 /nfs/dbraw/zinc/81/32/25/1048813225.db2.gz RSLWJJRXQVYVOP-NRFANRHFSA-N 1 0 319.452 4.310 20 30 DIEDRO C/C(=N\O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC001166909780 1048813349 /nfs/dbraw/zinc/81/33/49/1048813349.db2.gz JDZXENSTYMRQET-OFXNXBLFSA-N 1 0 323.440 4.134 20 30 DIEDRO C/C(=N\O)c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC001166909777 1048813819 /nfs/dbraw/zinc/81/38/19/1048813819.db2.gz JDZXENSTYMRQET-JFLDFIPSSA-N 1 0 323.440 4.134 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)cc1 ZINC001190985741 1048815437 /nfs/dbraw/zinc/81/54/37/1048815437.db2.gz RKLHEWKTYDSPQR-OAQYLSRUSA-N 1 0 307.412 4.193 20 30 DIEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000852102499 1048823195 /nfs/dbraw/zinc/82/31/95/1048823195.db2.gz YOADXQBXHUEMOU-HRAATJIYSA-N 1 0 320.436 4.072 20 30 DIEDRO CCCCCCCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC001177127866 1048827632 /nfs/dbraw/zinc/82/76/32/1048827632.db2.gz SXWMVONVCIQHSG-UHFFFAOYSA-N 1 0 306.475 4.050 20 30 DIEDRO Cc1ccc(C[N@@H+](CCC#N)CCC(C)C)c(-c2cnn(C)c2)c1 ZINC000338943944 1048832905 /nfs/dbraw/zinc/83/29/05/1048832905.db2.gz AKXONQMHJCLJFR-UHFFFAOYSA-N 1 0 324.472 4.157 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000852319902 1048834342 /nfs/dbraw/zinc/83/43/42/1048834342.db2.gz TTXQCZARYBOJMO-GFCCVEGCSA-N 1 0 314.376 4.424 20 30 DIEDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccc1OC ZINC001167038259 1048837263 /nfs/dbraw/zinc/83/72/63/1048837263.db2.gz NEZFLCKQGZFIQI-UHFFFAOYSA-N 1 0 314.816 4.242 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC001177136390 1048837866 /nfs/dbraw/zinc/83/78/66/1048837866.db2.gz MWNXCGSPNDAKHP-ZFWWWQNUSA-N 1 0 321.848 4.336 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483663314 1048837719 /nfs/dbraw/zinc/83/77/19/1048837719.db2.gz RHSYXKBKNXICRY-FPMFFAJLSA-N 1 0 317.408 4.435 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000776590700 1048838244 /nfs/dbraw/zinc/83/82/44/1048838244.db2.gz FGLVPWLMHVDWNR-RTBURBONSA-N 1 0 314.473 4.295 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCc2cccnc21 ZINC000483703455 1048842674 /nfs/dbraw/zinc/84/26/74/1048842674.db2.gz XUWLKYWGNFAVBM-IBGZPJMESA-N 1 0 323.415 4.382 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001191078645 1048843531 /nfs/dbraw/zinc/84/35/31/1048843531.db2.gz SYPGYJMUCJSJLZ-GOSISDBHSA-N 1 0 308.400 4.070 20 30 DIEDRO C=CCC1([NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)CCCC1 ZINC000852588080 1048852642 /nfs/dbraw/zinc/85/26/42/1048852642.db2.gz OEPUFDJORUPRGG-UHFFFAOYSA-N 1 0 321.774 4.071 20 30 DIEDRO COc1ccc(C[NH2+]CCc2ccc(C(C)(C)C)cc2)cc1C#N ZINC001177250643 1048854034 /nfs/dbraw/zinc/85/40/34/1048854034.db2.gz ORPYCTPAPWXHEK-UHFFFAOYSA-N 1 0 322.452 4.197 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C1CCC(F)CC1 ZINC000852651071 1048854451 /nfs/dbraw/zinc/85/44/51/1048854451.db2.gz ZWJQKIVYGJUNLD-VEAWUBTESA-N 1 0 324.827 4.249 20 30 DIEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1OCC#N ZINC000852700201 1048859250 /nfs/dbraw/zinc/85/92/50/1048859250.db2.gz BRXRDAQWVTXABR-SFESLNEESA-N 1 0 304.821 4.005 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC001203294752 1048860436 /nfs/dbraw/zinc/86/04/36/1048860436.db2.gz OZGMNRJLBMUJCJ-QGZVFWFLSA-N 1 0 313.466 4.242 20 30 DIEDRO C=CC[C@@]1(C(=O)Nc2ccc(Nc3ccccc3)cc2)CCC[NH2+]1 ZINC000852800732 1048860686 /nfs/dbraw/zinc/86/06/86/1048860686.db2.gz APJBBXGCEYWOHH-FQEVSTJZSA-N 1 0 321.424 4.067 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC001203294751 1048861615 /nfs/dbraw/zinc/86/16/15/1048861615.db2.gz OZGMNRJLBMUJCJ-KRWDZBQOSA-N 1 0 313.466 4.242 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC001203354305 1048866102 /nfs/dbraw/zinc/86/61/02/1048866102.db2.gz YNVXSFJRWTZBEW-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC001191143234 1048879149 /nfs/dbraw/zinc/87/91/49/1048879149.db2.gz BGSUJCZPEKBMBZ-UHFFFAOYSA-N 1 0 321.262 4.499 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)cc1 ZINC000853091524 1048880352 /nfs/dbraw/zinc/88/03/52/1048880352.db2.gz LHWPDGCKUZUNPS-IERDGZPVSA-N 1 0 320.436 4.392 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)CCCO2 ZINC000853241327 1048890975 /nfs/dbraw/zinc/89/09/75/1048890975.db2.gz LDKGDHXJBGBUSV-VBKZILBWSA-N 1 0 318.420 4.221 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483964109 1048891094 /nfs/dbraw/zinc/89/10/94/1048891094.db2.gz NPYMXHDMSHCKOR-DYVFJYSZSA-N 1 0 312.363 4.214 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1C#N ZINC001191223465 1048902282 /nfs/dbraw/zinc/90/22/82/1048902282.db2.gz OIDICCHEDWUZCM-LAUBAEHRSA-N 1 0 304.437 4.492 20 30 DIEDRO CCCCOc1ncccc1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001177501179 1048903286 /nfs/dbraw/zinc/90/32/86/1048903286.db2.gz DJUNZFVMKINCGD-UHFFFAOYSA-N 1 0 323.440 4.039 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[C@H]1c1ccccc1 ZINC001191223197 1048903585 /nfs/dbraw/zinc/90/35/85/1048903585.db2.gz MUUWERQHCULFPC-LAUBAEHRSA-N 1 0 304.437 4.378 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)CCc2ccccc2)cc1 ZINC000111387446 1048907970 /nfs/dbraw/zinc/90/79/70/1048907970.db2.gz VGEAFTYZAQWZLQ-QGZVFWFLSA-N 1 0 322.452 4.478 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001203510837 1048914330 /nfs/dbraw/zinc/91/43/30/1048914330.db2.gz AWXOQHBQCSVRAE-GRDNDAEWSA-N 1 0 303.833 4.020 20 30 DIEDRO C=CC[N@@H+](Cc1c(OC)cc(OC)cc1OC)C1CCCCC1 ZINC001203516787 1048915818 /nfs/dbraw/zinc/91/58/18/1048915818.db2.gz YWZNOGKJCYNLOB-UHFFFAOYSA-N 1 0 319.445 4.033 20 30 DIEDRO CCCC[NH+](CCCC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001191297503 1048918147 /nfs/dbraw/zinc/91/81/47/1048918147.db2.gz KZYQCRYDGGBEJB-UHFFFAOYSA-N 1 0 321.852 4.052 20 30 DIEDRO COc1ccc2c(Nc3cc(F)c(C#N)cc3OC)cc[nH+]c2c1 ZINC001203527561 1048920786 /nfs/dbraw/zinc/92/07/86/1048920786.db2.gz CKWHSPCFAPSUJH-UHFFFAOYSA-N 1 0 323.327 4.006 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCSc3ccc(F)cc32)c1 ZINC000093492214 1048924234 /nfs/dbraw/zinc/92/42/34/1048924234.db2.gz DGSXOQMKXFBLDB-AWEZNQCLSA-N 1 0 304.415 4.086 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000194886347 1048946056 /nfs/dbraw/zinc/94/60/56/1048946056.db2.gz DHALNRRJEMHJHT-OAHLLOKOSA-N 1 0 304.503 4.100 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001177870619 1048950070 /nfs/dbraw/zinc/95/00/70/1048950070.db2.gz MHTSGCMULAUAOT-KRWDZBQOSA-N 1 0 306.453 4.304 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1CC(=O)OC)c1ccccc1 ZINC000775462703 1048957385 /nfs/dbraw/zinc/95/73/85/1048957385.db2.gz CPWAUUFDDVGYSE-HXUWFJFHSA-N 1 0 323.436 4.199 20 30 DIEDRO CCCCCCCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001191530093 1048957473 /nfs/dbraw/zinc/95/74/73/1048957473.db2.gz JINAKATYWGBAQY-VQTJNVASSA-N 1 0 319.489 4.171 20 30 DIEDRO N#Cc1c(F)cc(Nc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC001203675677 1048959085 /nfs/dbraw/zinc/95/90/85/1048959085.db2.gz VGYJTNUQEGZGIW-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc2nsnc21)c1ccccc1 ZINC000775463381 1048960511 /nfs/dbraw/zinc/96/05/11/1048960511.db2.gz LIXJZVVCIQXGAL-INIZCTEOSA-N 1 0 309.438 4.488 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Cc2cccs2)cc1 ZINC000776726210 1048961826 /nfs/dbraw/zinc/96/18/26/1048961826.db2.gz VUUXITAHPAZKTH-HOTGVXAUSA-N 1 0 313.466 4.290 20 30 DIEDRO C=CCc1cc(C[NH2+]C2CCC(C(C)C)CC2)cc(OC)c1O ZINC001178005149 1048972126 /nfs/dbraw/zinc/97/21/26/1048972126.db2.gz OECAMIPAYXWFRF-UHFFFAOYSA-N 1 0 317.473 4.434 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)cc1 ZINC000484573509 1048972936 /nfs/dbraw/zinc/97/29/36/1048972936.db2.gz YDHLMBHEXGMYEJ-FQEVSTJZSA-N 1 0 306.409 4.083 20 30 DIEDRO CCN(C)c1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000776739849 1048976766 /nfs/dbraw/zinc/97/67/66/1048976766.db2.gz VLVIKQDEIYAVNN-CQSZACIVSA-N 1 0 311.404 4.004 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000776747294 1048979537 /nfs/dbraw/zinc/97/95/37/1048979537.db2.gz VBHRPPSQMONZDM-HNNXBMFYSA-N 1 0 311.491 4.101 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC3(CCCc4ccccc43)CC2)c1 ZINC001203757396 1048991137 /nfs/dbraw/zinc/99/11/37/1048991137.db2.gz MBUQXJHVOMIINV-UHFFFAOYSA-N 1 0 316.448 4.428 20 30 DIEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@]1(C)c1cccc(O)c1 ZINC001203762337 1048993234 /nfs/dbraw/zinc/99/32/34/1048993234.db2.gz DXJOOYGNTLUXTC-HRAATJIYSA-N 1 0 320.436 4.064 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)c1 ZINC001203764348 1048994336 /nfs/dbraw/zinc/99/43/36/1048994336.db2.gz BRMJMPZGWDHULL-NRFANRHFSA-N 1 0 320.411 4.177 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)c1 ZINC001203764357 1048994366 /nfs/dbraw/zinc/99/43/66/1048994366.db2.gz BRMJMPZGWDHULL-OAQYLSRUSA-N 1 0 320.411 4.177 20 30 DIEDRO C#CCOc1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC001203816707 1049007395 /nfs/dbraw/zinc/00/73/95/1049007395.db2.gz JPOOYGHIXNBBHL-UHFFFAOYSA-N 1 0 306.409 4.038 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203830082 1049012659 /nfs/dbraw/zinc/01/26/59/1049012659.db2.gz MMJBEZJLGMLYQS-UHFFFAOYSA-N 1 0 321.461 4.413 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000776798126 1049017111 /nfs/dbraw/zinc/01/71/11/1049017111.db2.gz GDUJNTKADYWGLS-NRFANRHFSA-N 1 0 320.436 4.124 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(Cl)c2OC)c1 ZINC001203863924 1049017873 /nfs/dbraw/zinc/01/78/73/1049017873.db2.gz IPIXCDBRMOMHNO-UHFFFAOYSA-N 1 0 317.816 4.203 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C2(CC)CCCC2)ccc1OC ZINC001202493466 1049024561 /nfs/dbraw/zinc/02/45/61/1049024561.db2.gz CWLVZJXCCMAZMS-UHFFFAOYSA-N 1 0 303.446 4.463 20 30 DIEDRO C#CCCCCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001191960774 1049025602 /nfs/dbraw/zinc/02/56/02/1049025602.db2.gz LUWDMHXUAUBDDX-UHFFFAOYSA-N 1 0 304.865 4.046 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(OC)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001203898830 1049028386 /nfs/dbraw/zinc/02/83/86/1049028386.db2.gz OKOGVHSDPHFGHT-HXUWFJFHSA-N 1 0 305.421 4.126 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)cc1 ZINC001203906947 1049029003 /nfs/dbraw/zinc/02/90/03/1049029003.db2.gz GWKYDYUUQDZRKK-NRFANRHFSA-N 1 0 320.411 4.177 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000113312994 1049031868 /nfs/dbraw/zinc/03/18/68/1049031868.db2.gz PHNMDQMODGCCRU-AWEZNQCLSA-N 1 0 315.363 4.218 20 30 DIEDRO N#Cc1cncc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC001192081149 1049033606 /nfs/dbraw/zinc/03/36/06/1049033606.db2.gz SUYSGGNRKSHZDD-NRFANRHFSA-N 1 0 313.404 4.027 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000113339224 1049033834 /nfs/dbraw/zinc/03/38/34/1049033834.db2.gz PNJSRDBGUWXYOJ-HXUWFJFHSA-N 1 0 309.384 4.005 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000113331857 1049034690 /nfs/dbraw/zinc/03/46/90/1049034690.db2.gz SYZICNAZUHKCSX-HXUWFJFHSA-N 1 0 321.420 4.092 20 30 DIEDRO C=CCCCCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC001192149725 1049042534 /nfs/dbraw/zinc/04/25/34/1049042534.db2.gz QRHNFOIHTAIASE-UHFFFAOYSA-N 1 0 306.425 4.221 20 30 DIEDRO Cc1cc(C[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)ccc1C#N ZINC001178477915 1049045431 /nfs/dbraw/zinc/04/54/31/1049045431.db2.gz KUXYHQCYNQNTAI-AWEZNQCLSA-N 1 0 314.816 4.077 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001151993857 1049049481 /nfs/dbraw/zinc/04/94/81/1049049481.db2.gz YWHHOKMATVUHJQ-GBESFXJTSA-N 1 0 322.537 4.316 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1ccccc1NC)c1ccc(F)c(F)c1 ZINC001178524930 1049050153 /nfs/dbraw/zinc/05/01/53/1049050153.db2.gz QHCDNEWSSISXAI-GOSISDBHSA-N 1 0 302.368 4.414 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC001178546019 1049055465 /nfs/dbraw/zinc/05/54/65/1049055465.db2.gz IBOQXVUDYIKRCR-PMACEKPBSA-N 1 0 319.489 4.429 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001178583948 1049057498 /nfs/dbraw/zinc/05/74/98/1049057498.db2.gz BRGFEHINCPYUGI-GDBMZVCRSA-N 1 0 313.363 4.085 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC001178584499 1049058358 /nfs/dbraw/zinc/05/83/58/1049058358.db2.gz JAVRMXYYWKEMDW-CQSZACIVSA-N 1 0 302.443 4.263 20 30 DIEDRO CCCCCCCC[C@H](CO)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC001204011513 1049060869 /nfs/dbraw/zinc/06/08/69/1049060869.db2.gz BPHKDSZXMDXPHV-KURKYZTESA-N 1 0 313.526 4.281 20 30 DIEDRO CCCCCCCC[C@H](CO)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC001204011451 1049061353 /nfs/dbraw/zinc/06/13/53/1049061353.db2.gz AHHAADNOAQQJDZ-RTBURBONSA-N 1 0 318.505 4.030 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCc2cccc(Br)c2C1 ZINC001192225136 1049064761 /nfs/dbraw/zinc/06/47/61/1049064761.db2.gz ZZRMGYPEWPFJPQ-UHFFFAOYSA-N 1 0 320.274 4.391 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc4ncccc4c3)cc2)CC1 ZINC001178640485 1049064848 /nfs/dbraw/zinc/06/48/48/1049064848.db2.gz VPCVRJWDLUQHHO-UHFFFAOYSA-N 1 0 313.404 4.080 20 30 DIEDRO N#Cc1ccc(Nc2cc[nH+]cc2Oc2ccccc2)cc1F ZINC001204028014 1049067220 /nfs/dbraw/zinc/06/72/20/1049067220.db2.gz GPMYFOXBGDREGD-UHFFFAOYSA-N 1 0 305.312 4.050 20 30 DIEDRO C=CC(C)(C)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000904434980 1049068688 /nfs/dbraw/zinc/06/86/88/1049068688.db2.gz VPDQEXSCHOOPDS-UHFFFAOYSA-N 1 0 311.429 4.186 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC001204044965 1049071247 /nfs/dbraw/zinc/07/12/47/1049071247.db2.gz FAEFKXZYGUCTNI-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)ccc1C#N ZINC001204058157 1049074221 /nfs/dbraw/zinc/07/42/21/1049074221.db2.gz XWLSMZHXXGSEMO-UHFFFAOYSA-N 1 0 320.314 4.055 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(OC)c(OC)cc2OC)CCCCC1 ZINC001178723834 1049074284 /nfs/dbraw/zinc/07/42/84/1049074284.db2.gz NGPIASOCTKLBPZ-UHFFFAOYSA-N 1 0 319.445 4.081 20 30 DIEDRO CCCOc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1C ZINC001178699988 1049077054 /nfs/dbraw/zinc/07/70/54/1049077054.db2.gz FMZPAZHUMMNBPA-UHFFFAOYSA-N 1 0 320.436 4.434 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001178737070 1049080576 /nfs/dbraw/zinc/08/05/76/1049080576.db2.gz NPPKREHAYYSDBL-UHFFFAOYSA-N 1 0 323.362 4.193 20 30 DIEDRO CC(C)n1ncc(C#N)c1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204095129 1049084147 /nfs/dbraw/zinc/08/41/47/1049084147.db2.gz TVKLDKLKYVYIIZ-UHFFFAOYSA-N 1 0 323.444 4.065 20 30 DIEDRO COc1cc(C#N)ccc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204109518 1049086255 /nfs/dbraw/zinc/08/62/55/1049086255.db2.gz PJLLYHOGZCBJFK-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO N#Cc1cccc(Nc2cccc(C[NH+]3CCCCC3)c2)c1F ZINC001204109685 1049086879 /nfs/dbraw/zinc/08/68/79/1049086879.db2.gz VXSBVLYQHJPBTG-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO COc1cc(C[N@H+](CCC#N)C2CCCCCCC2)ccc1O ZINC001204117080 1049086892 /nfs/dbraw/zinc/08/68/92/1049086892.db2.gz YZEFKVVUPUVJBV-UHFFFAOYSA-N 1 0 316.445 4.229 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204158558 1049100510 /nfs/dbraw/zinc/10/05/10/1049100510.db2.gz YUCRDEPRBYHREM-UHFFFAOYSA-N 1 0 316.326 4.135 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000856732344 1049102325 /nfs/dbraw/zinc/10/23/25/1049102325.db2.gz NLGFSJGJUTVGDO-RBUKOAKNSA-N 1 0 314.473 4.198 20 30 DIEDRO C#Cc1ccc(C[NH2+]C[C@H](C)Cc2ccc(OCC)cc2)cc1 ZINC001178873193 1049102814 /nfs/dbraw/zinc/10/28/14/1049102814.db2.gz QNQBTPZAUNRSSM-QGZVFWFLSA-N 1 0 307.437 4.035 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000856804032 1049105969 /nfs/dbraw/zinc/10/59/69/1049105969.db2.gz QBHCUYBRBHNUQT-CQSZACIVSA-N 1 0 311.256 4.161 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1 ZINC000856804031 1049106118 /nfs/dbraw/zinc/10/61/18/1049106118.db2.gz QBHCUYBRBHNUQT-AWEZNQCLSA-N 1 0 311.256 4.161 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3cc(F)ccc3F)CC2)c1 ZINC001204219783 1049113387 /nfs/dbraw/zinc/11/33/87/1049113387.db2.gz NRWAHNWNWMYIQP-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CCc1ccc(C#N)cc1 ZINC001192585357 1049119658 /nfs/dbraw/zinc/11/96/58/1049119658.db2.gz UGUFZYXJKGGDBF-FQEVSTJZSA-N 1 0 322.452 4.486 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)cc1C#N ZINC001192617609 1049124712 /nfs/dbraw/zinc/12/47/12/1049124712.db2.gz WWQUMBKJIDWZCS-LJQANCHMSA-N 1 0 312.363 4.386 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c(F)c1 ZINC000775542301 1049128867 /nfs/dbraw/zinc/12/88/67/1049128867.db2.gz JHPLJDMJAZNDNJ-GOSISDBHSA-N 1 0 318.342 4.462 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC001179142342 1049130104 /nfs/dbraw/zinc/13/01/04/1049130104.db2.gz FKPVUOQDVYZVAH-NQIIRXRSSA-N 1 0 323.484 4.252 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccccc1 ZINC001192709747 1049133939 /nfs/dbraw/zinc/13/39/39/1049133939.db2.gz MZEWQNBZPRAQDL-LJQANCHMSA-N 1 0 306.409 4.234 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC001204303262 1049134588 /nfs/dbraw/zinc/13/45/88/1049134588.db2.gz DGLNNEZPHSABEM-LJQANCHMSA-N 1 0 323.436 4.250 20 30 DIEDRO CCCCCCCCOc1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC001204311501 1049137931 /nfs/dbraw/zinc/13/79/31/1049137931.db2.gz GWMNELAYZLGRPZ-IBGZPJMESA-N 1 0 319.489 4.240 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc(Br)c2OC)CCCC1 ZINC001179160563 1049137905 /nfs/dbraw/zinc/13/79/05/1049137905.db2.gz ZPGYFIDVBVNQSP-UHFFFAOYSA-N 1 0 324.262 4.436 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1OC ZINC001179228764 1049144124 /nfs/dbraw/zinc/14/41/24/1049144124.db2.gz RFGPDYIYHZXYIG-NXHRZFHOSA-N 1 0 315.457 4.176 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC001179232592 1049145468 /nfs/dbraw/zinc/14/54/68/1049145468.db2.gz IGQBQAOIXBTGAS-UHFFFAOYSA-N 1 0 303.837 4.360 20 30 DIEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000775553212 1049146583 /nfs/dbraw/zinc/14/65/83/1049146583.db2.gz MOUQDCBJKWQJMA-QZTJIDSGSA-N 1 0 314.816 4.008 20 30 DIEDRO N#Cc1ccccc1C[NH+]1CCC(n2ccc3ccccc32)CC1 ZINC001204372450 1049153408 /nfs/dbraw/zinc/15/34/08/1049153408.db2.gz FOXZSZOIKTXBTM-UHFFFAOYSA-N 1 0 315.420 4.350 20 30 DIEDRO CCCCCCCOc1ccc(C[NH+]2CC(COC)C2)cc1 ZINC001204369378 1049153973 /nfs/dbraw/zinc/15/39/73/1049153973.db2.gz UQMGBMLFJDIJFI-UHFFFAOYSA-N 1 0 305.462 4.114 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC001204368974 1049154092 /nfs/dbraw/zinc/15/40/92/1049154092.db2.gz LPNODASPNJPZON-KDURUIRLSA-N 1 0 317.473 4.114 20 30 DIEDRO CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1cc(C#N)cs1 ZINC001179314436 1049155058 /nfs/dbraw/zinc/15/50/58/1049155058.db2.gz BSYFTKOPIMMXQN-INIZCTEOSA-N 1 0 323.465 4.222 20 30 DIEDRO CCCCN(CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC001204416725 1049160526 /nfs/dbraw/zinc/16/05/26/1049160526.db2.gz LKZYAHMOWYRLRW-UHFFFAOYSA-N 1 0 300.324 4.101 20 30 DIEDRO CCc1oc2ccccc2c1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001179419523 1049167570 /nfs/dbraw/zinc/16/75/70/1049167570.db2.gz NRDYUBGIZMINBH-KRWDZBQOSA-N 1 0 316.404 4.124 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc(F)c1C#N ZINC001204479820 1049172720 /nfs/dbraw/zinc/17/27/20/1049172720.db2.gz LTGUTFVHOBZHCZ-CJNGLKHVSA-N 1 0 312.363 4.214 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2)C1 ZINC001179559795 1049177521 /nfs/dbraw/zinc/17/75/21/1049177521.db2.gz VXJPTVKLFFVKSI-WFASDCNBSA-N 1 0 324.262 4.292 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)cc1C#N ZINC001179562561 1049177690 /nfs/dbraw/zinc/17/76/90/1049177690.db2.gz FSKDQHKJMDREFS-UHFFFAOYSA-N 1 0 320.436 4.478 20 30 DIEDRO Cc1c(F)cccc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001204509481 1049179210 /nfs/dbraw/zinc/17/92/10/1049179210.db2.gz DEPFMLMMXYKHFZ-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO CC1(C)C[NH+](Cc2ccc(C#N)cc2OC(F)F)CC(C)(C)C1 ZINC001193093853 1049181819 /nfs/dbraw/zinc/18/18/19/1049181819.db2.gz KPNZEKZZTBSPIH-UHFFFAOYSA-N 1 0 322.399 4.418 20 30 DIEDRO Cc1cc(C[NH2+]C(C)(C)c2ccc(F)cc2F)ccc1C#N ZINC001179592674 1049182349 /nfs/dbraw/zinc/18/23/49/1049182349.db2.gz HKDIDKRSTARYAB-UHFFFAOYSA-N 1 0 300.352 4.170 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)cc1Cl ZINC001179603433 1049183881 /nfs/dbraw/zinc/18/38/81/1049183881.db2.gz YPKNXGGBWSMRHC-ARFHVFGLSA-N 1 0 305.849 4.431 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Cl)s1 ZINC001179637223 1049190095 /nfs/dbraw/zinc/19/00/95/1049190095.db2.gz WCENEINRJOARMS-UHFFFAOYSA-N 1 0 304.846 4.384 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2CCN(C)[C@@H]2C)c1 ZINC001179626692 1049190230 /nfs/dbraw/zinc/19/02/30/1049190230.db2.gz LJMRUINCCLXYGG-XLIONFOSSA-N 1 0 318.505 4.218 20 30 DIEDRO Cc1ccccc1C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC001193226361 1049191557 /nfs/dbraw/zinc/19/15/57/1049191557.db2.gz WEDWNSMSQYMKHL-UHFFFAOYSA-N 1 0 320.436 4.125 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(OC)c(OC)cc2Cl)CCCCC1 ZINC001179662152 1049193808 /nfs/dbraw/zinc/19/38/08/1049193808.db2.gz FRXDSKWCWJUSCW-UHFFFAOYSA-N 1 0 321.848 4.173 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(Cl)cc3c2OCC3)CCCCC1 ZINC001179662719 1049195436 /nfs/dbraw/zinc/19/54/36/1049195436.db2.gz UKYSHKPTXCLYBA-UHFFFAOYSA-N 1 0 303.833 4.091 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000115622315 1049199020 /nfs/dbraw/zinc/19/90/20/1049199020.db2.gz RDRZKWKBWBHJSW-APWZRJJASA-N 1 0 323.440 4.168 20 30 DIEDRO Cc1c2ccccc2oc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000115620196 1049199861 /nfs/dbraw/zinc/19/98/61/1049199861.db2.gz BUJQLWNVAGAGJM-AWEZNQCLSA-N 1 0 320.392 4.322 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH+]2[C@@H](C)CC[C@@H]2C)cc1OC ZINC001204625004 1049205620 /nfs/dbraw/zinc/20/56/20/1049205620.db2.gz IZSJGGAATQIMGA-STQMWFEESA-N 1 0 309.837 4.286 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC001193448447 1049207680 /nfs/dbraw/zinc/20/76/80/1049207680.db2.gz OWCKPSOVCUJMME-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000857911337 1049210871 /nfs/dbraw/zinc/21/08/71/1049210871.db2.gz DUGSZBRIKAMGLT-INIZCTEOSA-N 1 0 314.816 4.077 20 30 DIEDRO Fc1ccc(C#CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001193495753 1049215425 /nfs/dbraw/zinc/21/54/25/1049215425.db2.gz CKUVBJPKJNBSSE-CTNGQTDRSA-N 1 0 307.412 4.178 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCc1ncc(C)cc1C)c1ccc(F)c(F)c1 ZINC001193575619 1049226669 /nfs/dbraw/zinc/22/66/69/1049226669.db2.gz RGCLXNCGHCUNIR-IBGZPJMESA-N 1 0 316.395 4.426 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCc1ncc(C)cc1C)c1ccc(F)c(F)c1 ZINC001193575620 1049226977 /nfs/dbraw/zinc/22/69/77/1049226977.db2.gz RGCLXNCGHCUNIR-LJQANCHMSA-N 1 0 316.395 4.426 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001179931560 1049230816 /nfs/dbraw/zinc/23/08/16/1049230816.db2.gz NYZFIFMADUREOL-FQEVSTJZSA-N 1 0 319.452 4.134 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2c(F)cc(C#N)cc2F)cc1 ZINC001204700519 1049231946 /nfs/dbraw/zinc/23/19/46/1049231946.db2.gz UDBUYVAUBDCVGN-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO C#CCOc1ccc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)cc1 ZINC001204699159 1049231993 /nfs/dbraw/zinc/23/19/93/1049231993.db2.gz DXJFWMKIFSXARO-UHFFFAOYSA-N 1 0 308.425 4.330 20 30 DIEDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000858270610 1049234177 /nfs/dbraw/zinc/23/41/77/1049234177.db2.gz HRCINFKKTJUDME-CYBMUJFWSA-N 1 0 310.388 4.139 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC001193649513 1049241397 /nfs/dbraw/zinc/24/13/97/1049241397.db2.gz RSFPDXSIYFKOHK-XHBSWPGZSA-N 1 0 321.262 4.235 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC001193686461 1049246378 /nfs/dbraw/zinc/24/63/78/1049246378.db2.gz KBVWUATZOUMMKI-JLTOFOAXSA-N 1 0 305.425 4.153 20 30 DIEDRO CCCCCCCCCC[NH+]1CCN(c2nccnc2C)CC1 ZINC001193735647 1049250389 /nfs/dbraw/zinc/25/03/89/1049250389.db2.gz SWDOOFGJIMAACK-UHFFFAOYSA-N 1 0 318.509 4.048 20 30 DIEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000668493368 1049259262 /nfs/dbraw/zinc/25/92/62/1049259262.db2.gz NKMKCSFMKRHIGD-MRXNPFEDSA-N 1 0 309.413 4.057 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000858447978 1049259615 /nfs/dbraw/zinc/25/96/15/1049259615.db2.gz UAQXPZFRRRYKEL-VIFPVBQESA-N 1 0 303.269 4.159 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858546603 1049271265 /nfs/dbraw/zinc/27/12/65/1049271265.db2.gz WGRVREGSHWVRMQ-XCRHUMRWSA-N 1 0 321.848 4.036 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccns1 ZINC000858576481 1049277630 /nfs/dbraw/zinc/27/76/30/1049277630.db2.gz KYIPHSFVDWCPRZ-NXVRBGIVSA-N 1 0 311.454 4.198 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)cc2OC)cc1 ZINC001204827881 1049278687 /nfs/dbraw/zinc/27/86/87/1049278687.db2.gz KONSVYPXMVBWOE-HXUWFJFHSA-N 1 0 323.436 4.177 20 30 DIEDRO C=CCN(C)CC[N@@H+](CC)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001193913924 1049282340 /nfs/dbraw/zinc/28/23/40/1049282340.db2.gz ONXSQBNWMIGRQU-QGZVFWFLSA-N 1 0 302.506 4.485 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCC1(C)C ZINC001193920562 1049283468 /nfs/dbraw/zinc/28/34/68/1049283468.db2.gz OWPBTCMYQYFDLL-INIZCTEOSA-N 1 0 306.381 4.301 20 30 DIEDRO CCCCCCCOC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001193985489 1049292991 /nfs/dbraw/zinc/29/29/91/1049292991.db2.gz DJVFOJDXQQJBNU-UHFFFAOYSA-N 1 0 310.482 4.044 20 30 DIEDRO CC[N@H+](C[C@H](C)CCC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001180175490 1049294468 /nfs/dbraw/zinc/29/44/68/1049294468.db2.gz VMOMDJYIESUYKL-GGPKGHCWSA-N 1 0 313.489 4.084 20 30 DIEDRO CCCCCCCOC(=O)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001194004613 1049296262 /nfs/dbraw/zinc/29/62/62/1049296262.db2.gz XLHVDDALJQPONV-UHFFFAOYSA-N 1 0 324.509 4.432 20 30 DIEDRO CCCCCCCOC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001194009069 1049297580 /nfs/dbraw/zinc/29/75/80/1049297580.db2.gz LOGNCXNIZGSJBV-UHFFFAOYSA-N 1 0 306.450 4.310 20 30 DIEDRO COc1cccc2c(C[N@H+](C)Cc3ccc(C#N)cc3)cccc12 ZINC001180168998 1049304454 /nfs/dbraw/zinc/30/44/54/1049304454.db2.gz FJDNXURPFGSUGL-UHFFFAOYSA-N 1 0 316.404 4.352 20 30 DIEDRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2C)ccc1C#N ZINC001180170654 1049307663 /nfs/dbraw/zinc/30/76/63/1049307663.db2.gz QJJAOVSBMLMFLW-INIZCTEOSA-N 1 0 308.425 4.377 20 30 DIEDRO C=C(C)CN(Cc1ccccc1)Cc1cnc(Cl)c(F)c1 ZINC001194051511 1049307670 /nfs/dbraw/zinc/30/76/70/1049307670.db2.gz FGZAWNYHOSOIOE-UHFFFAOYSA-N 1 0 304.796 4.452 20 30 DIEDRO C=CC[N@@H+](Cc1cc(C#N)ccc1N(C)C)CC1CCCCC1 ZINC001204922502 1049310997 /nfs/dbraw/zinc/31/09/97/1049310997.db2.gz AJNBCMIWBQLXAC-UHFFFAOYSA-N 1 0 311.473 4.193 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001180199147 1049315251 /nfs/dbraw/zinc/31/52/51/1049315251.db2.gz OWJUABQZWOLVBT-UHFFFAOYSA-N 1 0 322.493 4.064 20 30 DIEDRO CC[N@H+](CC1Cc2ccccc2C1)[C@H](C)c1ccc(C#N)cc1 ZINC001180199809 1049316049 /nfs/dbraw/zinc/31/60/49/1049316049.db2.gz YSOMXINKQKMNLA-MRXNPFEDSA-N 1 0 304.437 4.356 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@H](C)[C@H]1OC ZINC001194090205 1049324863 /nfs/dbraw/zinc/32/48/63/1049324863.db2.gz DTRQFKPPMBHGAP-KFKAGJAMSA-N 1 0 314.473 4.104 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CCC2(C#N)CCCCC2)[C@@H](C)[C@H]1OC ZINC001194091514 1049325975 /nfs/dbraw/zinc/32/59/75/1049325975.db2.gz NBCMHHZJYUDURO-BRWVUGGUSA-N 1 0 306.494 4.280 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC001180301166 1049327146 /nfs/dbraw/zinc/32/71/46/1049327146.db2.gz JXSBYTGHJLHYCS-IAGOWNOFSA-N 1 0 317.436 4.466 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001194152929 1049329617 /nfs/dbraw/zinc/32/96/17/1049329617.db2.gz JUHPEIBOYLWWJB-DYESRHJHSA-N 1 0 320.436 4.410 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@H]1c1ccccc1 ZINC001180281111 1049334009 /nfs/dbraw/zinc/33/40/09/1049334009.db2.gz VRQQRYKKTSNSRO-SFTDATJTSA-N 1 0 302.421 4.350 20 30 DIEDRO C=CC[N@@H+](Cc1c(OC)cccc1OC)CC1CCCCC1 ZINC001180292156 1049336096 /nfs/dbraw/zinc/33/60/96/1049336096.db2.gz INIKGCPUJADIGH-UHFFFAOYSA-N 1 0 303.446 4.272 20 30 DIEDRO CCC(C)(C)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001194141215 1049336835 /nfs/dbraw/zinc/33/68/35/1049336835.db2.gz BXZCLNHMCNJJRC-UHFFFAOYSA-N 1 0 318.436 4.367 20 30 DIEDRO C#CC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCc2ccccc21 ZINC001180297012 1049340421 /nfs/dbraw/zinc/34/04/21/1049340421.db2.gz OSHTTXISUWRGFY-BVSLBCMMSA-N 1 0 301.433 4.413 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCOC2CCC2)cc1 ZINC000777121543 1049348838 /nfs/dbraw/zinc/34/88/38/1049348838.db2.gz MVUNEIWPRSLNHC-AWEZNQCLSA-N 1 0 309.837 4.038 20 30 DIEDRO C#CCCCCCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC001180413340 1049361110 /nfs/dbraw/zinc/36/11/10/1049361110.db2.gz SOFUEZRKTOUZHJ-UHFFFAOYSA-N 1 0 318.892 4.041 20 30 DIEDRO N#CCSCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485885987 1049362367 /nfs/dbraw/zinc/36/23/67/1049362367.db2.gz XYAJRHVZZJUIRW-OTWHNJEPSA-N 1 0 314.498 4.291 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860136470 1049370383 /nfs/dbraw/zinc/37/03/83/1049370383.db2.gz VVELVIJQZPZQNB-HXUWFJFHSA-N 1 0 317.473 4.187 20 30 DIEDRO CC#CCC[NH2+][C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001205136901 1049391164 /nfs/dbraw/zinc/39/11/64/1049391164.db2.gz LYCAFPOAJIGDBN-LLVKDONJSA-N 1 0 303.755 4.293 20 30 DIEDRO Cc1ccccc1CC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC001194633199 1049401584 /nfs/dbraw/zinc/40/15/84/1049401584.db2.gz OAIHVWSZSVQBCW-UHFFFAOYSA-N 1 0 306.453 4.471 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC#Cc2ccccc2)c1 ZINC001180834329 1049408495 /nfs/dbraw/zinc/40/84/95/1049408495.db2.gz DQKYQUXOMSAIRS-DYESRHJHSA-N 1 0 305.421 4.130 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC#Cc2ccccc2)c1 ZINC001180834332 1049408649 /nfs/dbraw/zinc/40/86/49/1049408649.db2.gz DQKYQUXOMSAIRS-UWJYYQICSA-N 1 0 305.421 4.130 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)ccc1C#N ZINC001205193767 1049409231 /nfs/dbraw/zinc/40/92/31/1049409231.db2.gz YDNFLXRQNOESMQ-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO CC[N@H+](CCC#N)CC(Cc1ccccc1)Cc1ccccc1 ZINC001205208869 1049411081 /nfs/dbraw/zinc/41/10/81/1049411081.db2.gz PDQRFEQUBVAGAC-UHFFFAOYSA-N 1 0 306.453 4.324 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC001194744392 1049415304 /nfs/dbraw/zinc/41/53/04/1049415304.db2.gz HHQOPCLGVMAECX-SFHVURJKSA-N 1 0 315.461 4.157 20 30 DIEDRO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc(Cl)nc1 ZINC000775608898 1049421948 /nfs/dbraw/zinc/42/19/48/1049421948.db2.gz AYCWGUIZKBJRCP-UHFFFAOYSA-N 1 0 313.832 4.168 20 30 DIEDRO CCC[N@H+](Cc1ccccc1O)Cc1ccc(Cl)cc1C#N ZINC000775610035 1049422660 /nfs/dbraw/zinc/42/26/60/1049422660.db2.gz JXELCCYUYQFSCU-UHFFFAOYSA-N 1 0 314.816 4.329 20 30 DIEDRO Cc1ccc(SC[C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC001180969459 1049424335 /nfs/dbraw/zinc/42/43/35/1049424335.db2.gz IUBUQEAQBZUHHP-AWEZNQCLSA-N 1 0 314.429 4.276 20 30 DIEDRO CC(C)[N@H+](CCOc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC001194817207 1049433709 /nfs/dbraw/zinc/43/37/09/1049433709.db2.gz NXKGXWMUHLVKBJ-KRWDZBQOSA-N 1 0 308.425 4.409 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC001194816877 1049434079 /nfs/dbraw/zinc/43/40/79/1049434079.db2.gz LTMPSQRCQSJSSB-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001181122953 1049443461 /nfs/dbraw/zinc/44/34/61/1049443461.db2.gz ZNPHQZCIFANQOI-QGZVFWFLSA-N 1 0 318.505 4.361 20 30 DIEDRO CCCCCCCC[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC001194900516 1049445860 /nfs/dbraw/zinc/44/58/60/1049445860.db2.gz XYPPJWICQANXET-UHFFFAOYSA-N 1 0 303.446 4.192 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H]2C ZINC001205353908 1049447735 /nfs/dbraw/zinc/44/77/35/1049447735.db2.gz PFZCBUCGFYPYJP-HOTGVXAUSA-N 1 0 320.436 4.383 20 30 DIEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C#N)cc1Br ZINC001194953559 1049454544 /nfs/dbraw/zinc/45/45/44/1049454544.db2.gz PBPFZIIYJQVPIA-WBMJQRKESA-N 1 0 321.262 4.379 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001194994507 1049458768 /nfs/dbraw/zinc/45/87/68/1049458768.db2.gz XJYXSXADTNCDRB-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC001181287088 1049459961 /nfs/dbraw/zinc/45/99/61/1049459961.db2.gz YVRIMRBPQXCYKV-DLBZAZTESA-N 1 0 324.509 4.404 20 30 DIEDRO CC(C)c1cccc2c1CCN(Cc1cccc(F)c1C#N)C2 ZINC001181410420 1049470011 /nfs/dbraw/zinc/47/00/11/1049470011.db2.gz LEAHKBUOYHAHCA-UHFFFAOYSA-N 1 0 308.400 4.379 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC3(CCc4ccccc43)CC2)ccc1F ZINC001205459201 1049476269 /nfs/dbraw/zinc/47/62/69/1049476269.db2.gz HEZTXBTYDPBEOJ-UHFFFAOYSA-N 1 0 320.411 4.177 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)cc1 ZINC000486802421 1049478180 /nfs/dbraw/zinc/47/81/80/1049478180.db2.gz ONOCJJLWHWNRQC-HXUWFJFHSA-N 1 0 306.409 4.212 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(c3cccs3)CC2)ccc1F ZINC001205479084 1049480476 /nfs/dbraw/zinc/48/04/76/1049480476.db2.gz RZMUTUOPESBKHD-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001205498171 1049486535 /nfs/dbraw/zinc/48/65/35/1049486535.db2.gz BJOFSZNXKPKYPZ-CQSZACIVSA-N 1 0 304.384 4.384 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC001205575515 1049501182 /nfs/dbraw/zinc/50/11/82/1049501182.db2.gz PSKSVDTURCMYIW-BBRMVZONSA-N 1 0 314.256 4.107 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)cc1 ZINC001204303433 1049501087 /nfs/dbraw/zinc/50/10/87/1049501087.db2.gz HFHBIPOEEBEGHX-QGZVFWFLSA-N 1 0 303.421 4.356 20 30 DIEDRO CC(C)[N@H+](CCOc1ccccc1C#N)[C@H](C)c1ccsc1 ZINC001195258224 1049503199 /nfs/dbraw/zinc/50/31/99/1049503199.db2.gz NBYDZWGSGXNNDV-OAHLLOKOSA-N 1 0 314.454 4.470 20 30 DIEDRO C[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccc(C#N)cc1 ZINC000486990943 1049505843 /nfs/dbraw/zinc/50/58/43/1049505843.db2.gz RUDJYIBGLCCHAJ-GFCCVEGCSA-N 1 0 309.394 4.126 20 30 DIEDRO COc1cccc(CCC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC001195358145 1049517016 /nfs/dbraw/zinc/51/70/16/1049517016.db2.gz MBTJHFBEYYVHHJ-INIZCTEOSA-N 1 0 308.425 4.192 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCCc1ccc(F)c(F)c1 ZINC001205650061 1049520452 /nfs/dbraw/zinc/52/04/52/1049520452.db2.gz CEYGLSXPRSNKBG-IBGZPJMESA-N 1 0 312.363 4.046 20 30 DIEDRO C[C@]1(CC[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1(Cl)Cl ZINC001181807558 1049521831 /nfs/dbraw/zinc/52/18/31/1049521831.db2.gz HNMAJWUBQDBSIH-PCKAHOCUSA-N 1 0 323.267 4.174 20 30 DIEDRO Cc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001205661579 1049525566 /nfs/dbraw/zinc/52/55/66/1049525566.db2.gz CQVIIYJRRQQXSO-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000246333884 1049526783 /nfs/dbraw/zinc/52/67/83/1049526783.db2.gz IJEQDYNLRXMSTR-QINHECLXSA-N 1 0 306.409 4.081 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000775655995 1049527477 /nfs/dbraw/zinc/52/74/77/1049527477.db2.gz YPDXOEQJYRSQBL-FQEVSTJZSA-N 1 0 302.421 4.342 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCC)c1O ZINC000119257517 1049531054 /nfs/dbraw/zinc/53/10/54/1049531054.db2.gz MFFYQLGGBLXEAW-UHFFFAOYSA-N 1 0 324.424 4.075 20 30 DIEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1csc(C#N)c1 ZINC001205699605 1049537129 /nfs/dbraw/zinc/53/71/29/1049537129.db2.gz FOQLPEBRUJHBEA-INIZCTEOSA-N 1 0 314.458 4.077 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1csc(C#N)c1 ZINC001205699606 1049538126 /nfs/dbraw/zinc/53/81/26/1049538126.db2.gz FOQLPEBRUJHBEA-MRXNPFEDSA-N 1 0 314.458 4.077 20 30 DIEDRO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCC[C@H]1C ZINC000249347051 1049540643 /nfs/dbraw/zinc/54/06/43/1049540643.db2.gz JVBGABZRKMIBJW-RHSMWYFYSA-N 1 0 324.428 4.009 20 30 DIEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1Oc1ccc(C)cc1OC ZINC001205713668 1049541615 /nfs/dbraw/zinc/54/16/15/1049541615.db2.gz FTTZGWYQGZHOQJ-KRWDZBQOSA-N 1 0 309.409 4.297 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCc3ccccc3Cl)CCC2)cc1 ZINC001195560207 1049542979 /nfs/dbraw/zinc/54/29/79/1049542979.db2.gz ZKQYCNPUJMBQIM-UHFFFAOYSA-N 1 0 310.828 4.423 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)cc1 ZINC001205753395 1049555133 /nfs/dbraw/zinc/55/51/33/1049555133.db2.gz VJESSPLVWRXDMN-ROUUACIJSA-N 1 0 317.473 4.323 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](c2ccccc2)C2CC2)C1 ZINC001182042700 1049562903 /nfs/dbraw/zinc/56/29/03/1049562903.db2.gz BNQHVOWSNGBZDE-ATKRNPRHSA-N 1 0 316.448 4.394 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)CCCC1 ZINC001205788194 1049564595 /nfs/dbraw/zinc/56/45/95/1049564595.db2.gz BBXLVBJCCHZBLL-INIZCTEOSA-N 1 0 317.473 4.361 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]Cc1nc2ccc(Br)cc2o1 ZINC001182063386 1049567687 /nfs/dbraw/zinc/56/76/87/1049567687.db2.gz UVPJMDSVGYLAOO-GFCCVEGCSA-N 1 0 323.234 4.425 20 30 DIEDRO C=CCCn1cc(C[N@@H+](CCCC)[C@H]2CCC[C@H](C)C2)nn1 ZINC001182072526 1049570120 /nfs/dbraw/zinc/57/01/20/1049570120.db2.gz PYXHIDKDIVHFBE-WMZOPIPTSA-N 1 0 304.482 4.035 20 30 DIEDRO C#CCCCCCC[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC001195799371 1049573029 /nfs/dbraw/zinc/57/30/29/1049573029.db2.gz UOPHKIOOJIWXEJ-QGZVFWFLSA-N 1 0 307.478 4.156 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC001205839102 1049580596 /nfs/dbraw/zinc/58/05/96/1049580596.db2.gz FJZUVDRSLOYRLI-UHFFFAOYSA-N 1 0 313.397 4.035 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC#N)[C@@H]1C ZINC000775674972 1049585172 /nfs/dbraw/zinc/58/51/72/1049585172.db2.gz LMPITAFOKKQKTB-XJKCOSOUSA-N 1 0 306.837 4.157 20 30 DIEDRO COCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCC[C@@H]1C ZINC000487988830 1049589391 /nfs/dbraw/zinc/58/93/91/1049589391.db2.gz OBZOIBFZVXBJQN-QFBILLFUSA-N 1 0 314.473 4.125 20 30 DIEDRO CC(C)C1CCC(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC001182215009 1049592215 /nfs/dbraw/zinc/59/22/15/1049592215.db2.gz BVHLGORAHCGKHO-UHFFFAOYSA-N 1 0 312.457 4.084 20 30 DIEDRO C=CC[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC001195945991 1049596620 /nfs/dbraw/zinc/59/66/20/1049596620.db2.gz DUSXFMVSZUPJSJ-HNNXBMFYSA-N 1 0 323.436 4.070 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC001195947355 1049597985 /nfs/dbraw/zinc/59/79/85/1049597985.db2.gz SVIFSEFMXMWSDU-WMLDXEAASA-N 1 0 318.848 4.121 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195946744 1049598096 /nfs/dbraw/zinc/59/80/96/1049598096.db2.gz MVSKYFSPDHSTRL-MLGOLLRUSA-N 1 0 314.256 4.315 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC001195947180 1049599458 /nfs/dbraw/zinc/59/94/58/1049599458.db2.gz RBXXWFIGJXSFIL-HZPDHXFCSA-N 1 0 311.429 4.394 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001195954932 1049599800 /nfs/dbraw/zinc/59/98/00/1049599800.db2.gz MYEQYYWNOSGERR-WBMJQRKESA-N 1 0 314.256 4.315 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001205922184 1049603203 /nfs/dbraw/zinc/60/32/03/1049603203.db2.gz CNEGMGKKNGXNJW-NRFANRHFSA-N 1 0 319.452 4.026 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000488136382 1049603699 /nfs/dbraw/zinc/60/36/99/1049603699.db2.gz GQRJYGSECHCUGT-WMLDXEAASA-N 1 0 316.445 4.193 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1ccccc1F)c1ccc(C#N)cc1 ZINC000774122341 1049604925 /nfs/dbraw/zinc/60/49/25/1049604925.db2.gz JCYMDCMCDRNJCK-SFHVURJKSA-N 1 0 312.388 4.207 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001196056928 1049606130 /nfs/dbraw/zinc/60/61/30/1049606130.db2.gz NMUVFDJBVYJNEV-CBBWQLFWSA-N 1 0 305.384 4.211 20 30 DIEDRO C=CCCCCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000488200533 1049613634 /nfs/dbraw/zinc/61/36/34/1049613634.db2.gz YRPKLUCRHJKNPD-UHFFFAOYSA-N 1 0 313.445 4.292 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(C#N)cc1 ZINC000774159805 1049615697 /nfs/dbraw/zinc/61/56/97/1049615697.db2.gz RYAYOUVLASKDAA-FQEVSTJZSA-N 1 0 319.452 4.182 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)Cc1coc2ccccc12)c1ccc(F)cc1 ZINC001205974821 1049616638 /nfs/dbraw/zinc/61/66/38/1049616638.db2.gz SZPAFZJFGHWKAL-KUHUBIRLSA-N 1 0 307.368 4.467 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCC2(CSC2)CC1 ZINC001182325975 1049625855 /nfs/dbraw/zinc/62/58/55/1049625855.db2.gz DPGUQNSFLLYSHG-GOSISDBHSA-N 1 0 301.499 4.439 20 30 DIEDRO C#C[C@H]([NH2+]CC(C)(C)c1ccc(Br)cc1)C(C)(C)C ZINC001206076767 1049647428 /nfs/dbraw/zinc/64/74/28/1049647428.db2.gz GGNZTMCFDDICHN-HNNXBMFYSA-N 1 0 322.290 4.364 20 30 DIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)cs1 ZINC000339066528 1049647661 /nfs/dbraw/zinc/64/76/61/1049647661.db2.gz FSQZZYZAAVSWBV-DXCKQFNASA-N 1 0 311.454 4.461 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cn(C(C)C)nc21)c1ccc(C#N)cc1 ZINC000774352187 1049656915 /nfs/dbraw/zinc/65/69/15/1049656915.db2.gz ZWFHPIVSAICETC-RTBURBONSA-N 1 0 322.456 4.454 20 30 DIEDRO C=CCCCCCN1CCOc2cc(Br)ccc2C1 ZINC001196450999 1049660456 /nfs/dbraw/zinc/66/04/56/1049660456.db2.gz WOOHVKFIMBNORJ-UHFFFAOYSA-N 1 0 324.262 4.390 20 30 DIEDRO C=C(Cl)CN1CC(C)(C)[N@@H+](Cc2ccccc2)CC1(C)C ZINC001196497963 1049666459 /nfs/dbraw/zinc/66/64/59/1049666459.db2.gz JPFHPWWPDFHWAV-UHFFFAOYSA-N 1 0 306.881 4.114 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000775726098 1049667247 /nfs/dbraw/zinc/66/72/47/1049667247.db2.gz YZYVMNWXTLTHSQ-ROUUACIJSA-N 1 0 321.342 4.044 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc2scnc2c1 ZINC001182499773 1049679445 /nfs/dbraw/zinc/67/94/45/1049679445.db2.gz OUFQXFIKVZSOJL-CYBMUJFWSA-N 1 0 307.422 4.361 20 30 DIEDRO CC[N@H+](Cc1ccc(F)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000488621269 1049684770 /nfs/dbraw/zinc/68/47/70/1049684770.db2.gz YTZWMEWHQYAYOG-ZDUSSCGKSA-N 1 0 300.352 4.420 20 30 DIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@H]1Oc1ccccc1 ZINC001182575288 1049687105 /nfs/dbraw/zinc/68/71/05/1049687105.db2.gz YJLVUJBAYSRJSB-WOJBJXKFSA-N 1 0 320.436 4.088 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccc(C#N)c(C)c3)C2)c1 ZINC001206263507 1049692400 /nfs/dbraw/zinc/69/24/00/1049692400.db2.gz NESCKCYGRAHNIG-MXVIHJGJSA-N 1 0 320.436 4.253 20 30 DIEDRO C=CCC1([NH2+]CCc2cccc3c2OC(F)(F)O3)CCCCC1 ZINC001196953726 1049709529 /nfs/dbraw/zinc/70/95/29/1049709529.db2.gz ZJILSZNYLQXGMX-UHFFFAOYSA-N 1 0 323.383 4.419 20 30 DIEDRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC001206328280 1049713495 /nfs/dbraw/zinc/71/34/95/1049713495.db2.gz IPHKBFDJPFGNIS-REMYHPOOSA-N 1 0 312.457 4.246 20 30 DIEDRO CCSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001206342502 1049716439 /nfs/dbraw/zinc/71/64/39/1049716439.db2.gz KANCFXICOZZYTP-ZDUSSCGKSA-N 1 0 316.495 4.453 20 30 DIEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1csc(C#N)c1 ZINC001206343683 1049716585 /nfs/dbraw/zinc/71/65/85/1049716585.db2.gz SFADKXHYZRXXAD-GOSISDBHSA-N 1 0 314.429 4.356 20 30 DIEDRO COc1ccc(C(C)C)cc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC001197116530 1049724306 /nfs/dbraw/zinc/72/43/06/1049724306.db2.gz RIOIZTKHOQOFLY-UHFFFAOYSA-N 1 0 322.452 4.365 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC001206409184 1049728841 /nfs/dbraw/zinc/72/88/41/1049728841.db2.gz JWNBTSQLOIDSIX-SFHVURJKSA-N 1 0 319.452 4.085 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(Br)c(C)s2)C1 ZINC001206408447 1049729124 /nfs/dbraw/zinc/72/91/24/1049729124.db2.gz AFJUVUMQUWYJDU-LBPRGKRZSA-N 1 0 312.276 4.054 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001206463318 1049737918 /nfs/dbraw/zinc/73/79/18/1049737918.db2.gz FJICLEKCBBXRAS-MRXNPFEDSA-N 1 0 309.384 4.463 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1CCCC(=O)Nc1c(C)cccc1C ZINC000489433433 1049757928 /nfs/dbraw/zinc/75/79/28/1049757928.db2.gz UHPSENCBKGWTEN-KRWDZBQOSA-N 1 0 300.446 4.063 20 30 DIEDRO C=CCCSCC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001206591706 1049764248 /nfs/dbraw/zinc/76/42/48/1049764248.db2.gz UPPDPSVNXVIQBB-SJORKVTESA-N 1 0 305.487 4.131 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC001206597843 1049765517 /nfs/dbraw/zinc/76/55/17/1049765517.db2.gz KWYOQAKINCJEKS-GOSISDBHSA-N 1 0 309.457 4.277 20 30 DIEDRO CCCCCCCC[C@H](CC)OCCC[NH+]1CCN(C)CC1 ZINC001206596594 1049765852 /nfs/dbraw/zinc/76/58/52/1049765852.db2.gz PIWGENVMMXCPKO-IBGZPJMESA-N 1 0 312.542 4.170 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000489600406 1049771115 /nfs/dbraw/zinc/77/11/15/1049771115.db2.gz WGFQTXGSJCLERF-HXUWFJFHSA-N 1 0 308.400 4.295 20 30 DIEDRO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1(C)CCCC1 ZINC000489866476 1049786464 /nfs/dbraw/zinc/78/64/64/1049786464.db2.gz ZGDAZGZGGLGUOD-UHFFFAOYSA-N 1 0 323.440 4.002 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC001206776437 1049798110 /nfs/dbraw/zinc/79/81/10/1049798110.db2.gz BFTISVSVTVFIGH-UHFFFAOYSA-N 1 0 312.251 4.155 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC001206781103 1049799535 /nfs/dbraw/zinc/79/95/35/1049799535.db2.gz XDARUZWMYWITGE-WMZOPIPTSA-N 1 0 306.494 4.035 20 30 DIEDRO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cc(C#N)n(C)c2)cc1C ZINC001207110437 1049837518 /nfs/dbraw/zinc/83/75/18/1049837518.db2.gz MPPXZPIGNGAYRV-FQEVSTJZSA-N 1 0 307.441 4.241 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCC2)C1 ZINC001207176143 1049851621 /nfs/dbraw/zinc/85/16/21/1049851621.db2.gz YIQKTYDENIFFME-RHSMWYFYSA-N 1 0 302.849 4.434 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207197420 1049859750 /nfs/dbraw/zinc/85/97/50/1049859750.db2.gz PUVACXYOAIYLHN-HKUYNNGSSA-N 1 0 310.828 4.447 20 30 DIEDRO CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001207244151 1049869833 /nfs/dbraw/zinc/86/98/33/1049869833.db2.gz YKILISZLQNHPFU-SFTDATJTSA-N 1 0 304.437 4.026 20 30 DIEDRO C#CC[N@@H+](CC1CCC(F)(F)CC1)[C@@H]1CCc2ccccc21 ZINC001207347655 1049881773 /nfs/dbraw/zinc/88/17/73/1049881773.db2.gz HCPQPWMDGVJILP-GOSISDBHSA-N 1 0 303.396 4.435 20 30 DIEDRO C=CCCC[C@H]([NH2+]CCC(C)(C)C(=O)OC)c1ccccc1 ZINC001207342093 1049882166 /nfs/dbraw/zinc/88/21/66/1049882166.db2.gz XFLLMAMUOWNJHK-KRWDZBQOSA-N 1 0 303.446 4.263 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000586778932 1049898342 /nfs/dbraw/zinc/89/83/42/1049898342.db2.gz CEWPOLWACGWKKL-AHUOSZMWSA-N 1 0 310.347 4.127 20 30 DIEDRO N#CCC[N@@H+](CCc1ccccc1Br)C1CCCC1 ZINC001207532420 1049906435 /nfs/dbraw/zinc/90/64/35/1049906435.db2.gz RDHKNDJXCLLUMQ-UHFFFAOYSA-N 1 0 321.262 4.150 20 30 DIEDRO CSc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2)cc1C#N ZINC001207549006 1049907996 /nfs/dbraw/zinc/90/79/96/1049907996.db2.gz PPOJDZKPPUCZTR-ZDUSSCGKSA-N 1 0 314.429 4.313 20 30 DIEDRO Cc1cnc(CC[NH2+][C@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000571320173 1049929532 /nfs/dbraw/zinc/92/95/32/1049929532.db2.gz IGBFAXDMLGOEGS-HXUWFJFHSA-N 1 0 307.441 4.266 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(Br)cc1F ZINC001207742308 1049932667 /nfs/dbraw/zinc/93/26/67/1049932667.db2.gz RYJWXIGCSTWULC-SNVBAGLBSA-N 1 0 313.214 4.006 20 30 DIEDRO C=C[C@H](CC)CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC001127101564 1049936052 /nfs/dbraw/zinc/93/60/52/1049936052.db2.gz OCTGHECHQQAFTR-MRXNPFEDSA-N 1 0 300.446 4.132 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)CC1(C)COC1 ZINC001207799607 1049940004 /nfs/dbraw/zinc/94/00/04/1049940004.db2.gz FQJFJIGENAMFRZ-QGZVFWFLSA-N 1 0 320.436 4.158 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CC3(c4ccccc4)CC3)CC2)cc1 ZINC001207839908 1049942491 /nfs/dbraw/zinc/94/24/91/1049942491.db2.gz YSKSBQUKRAJGMS-UHFFFAOYSA-N 1 0 316.448 4.469 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(N2CC(F)C2)CC1 ZINC001207898866 1049951272 /nfs/dbraw/zinc/95/12/72/1049951272.db2.gz GCEVICAIQYMYQI-UHFFFAOYSA-N 1 0 310.501 4.411 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CC(N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001207899616 1049952426 /nfs/dbraw/zinc/95/24/26/1049952426.db2.gz ISVZMUMABKXXRE-RTBURBONSA-N 1 0 322.537 4.087 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001207899626 1049953313 /nfs/dbraw/zinc/95/33/13/1049953313.db2.gz JCLAIIRATWGBQQ-UHFFFAOYSA-N 1 0 323.525 4.029 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC2(CCN(CC)C2=O)CC1 ZINC001208124193 1049975065 /nfs/dbraw/zinc/97/50/65/1049975065.db2.gz MKIAJOPXFNBXGS-ZHACJKMWSA-N 1 0 320.521 4.238 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC2(CC(=O)N(CC)C2)CC1 ZINC001208124385 1049975488 /nfs/dbraw/zinc/97/54/88/1049975488.db2.gz OHJKXJVZLMBVLM-ZHACJKMWSA-N 1 0 320.521 4.238 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001208118703 1049975557 /nfs/dbraw/zinc/97/55/57/1049975557.db2.gz MXKHADWWXLGWJX-CMDGGOBGSA-N 1 0 307.869 4.405 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001208118494 1049975641 /nfs/dbraw/zinc/97/56/41/1049975641.db2.gz JNSSDSJWQPQBET-BQYDLMEBSA-N 1 0 320.521 4.380 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001208119988 1049975853 /nfs/dbraw/zinc/97/58/53/1049975853.db2.gz KBXUTNKWSNBSSA-FVNWOWOISA-N 1 0 305.466 4.474 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cscc1Cl ZINC000591357476 1049976319 /nfs/dbraw/zinc/97/63/19/1049976319.db2.gz DJXINSOOQYUAKC-INIZCTEOSA-N 1 0 302.830 4.440 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001208177488 1049980986 /nfs/dbraw/zinc/98/09/86/1049980986.db2.gz UDQGOOMRAATSCB-HXUWFJFHSA-N 1 0 302.506 4.097 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001208177092 1049980991 /nfs/dbraw/zinc/98/09/91/1049980991.db2.gz MUHKSLJAULEAFU-GOSISDBHSA-N 1 0 315.457 4.438 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(Oc3ccccn3)CC2)CC1 ZINC001208177567 1049981478 /nfs/dbraw/zinc/98/14/78/1049981478.db2.gz UZSVBJMWZQBSQG-GOSISDBHSA-N 1 0 312.457 4.227 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208177094 1049981481 /nfs/dbraw/zinc/98/14/81/1049981481.db2.gz MWOKXAYCSZSHTJ-QGZVFWFLSA-N 1 0 319.489 4.343 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2Cc3cc(OC)c(OC)cc3C2)CC1 ZINC001208179162 1049982299 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N#CC[C@@H]1CCC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001208831700 1050013618 /nfs/dbraw/zinc/01/36/18/1050013618.db2.gz QKEQBJAYSRNRAH-AWEZNQCLSA-N 1 0 310.363 4.264 20 30 DIEDRO SC1CC[NH+](CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC001208837826 1050015368 /nfs/dbraw/zinc/01/53/68/1050015368.db2.gz QXRXEAXCFVKYHX-UHFFFAOYSA-N 1 0 304.286 4.320 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC001208853874 1050017485 /nfs/dbraw/zinc/01/74/85/1050017485.db2.gz ZPOYTEIGHFOPBE-HXUWFJFHSA-N 1 0 308.400 4.467 20 30 DIEDRO N#Cc1cccc(CCC[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC001208853531 1050017679 /nfs/dbraw/zinc/01/76/79/1050017679.db2.gz PJVGWAOPVCQKOD-FQEVSTJZSA-N 1 0 322.477 4.281 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC001208856121 1050017853 /nfs/dbraw/zinc/01/78/53/1050017853.db2.gz AKPPZWGNFAEIOQ-GOSISDBHSA-N 1 0 308.400 4.119 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC001208863751 1050018109 /nfs/dbraw/zinc/01/81/09/1050018109.db2.gz 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XLFKSWPHZPUSOX-UHFFFAOYSA-N 1 0 318.395 4.318 20 30 DIEDRO CC[C@H](CC#N)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824171776 1050189086 /nfs/dbraw/zinc/18/90/86/1050189086.db2.gz IPRNUWOBHBIPLA-MRXNPFEDSA-N 1 0 313.470 4.166 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000734001651 1050213348 /nfs/dbraw/zinc/21/33/48/1050213348.db2.gz FZQZXRMNZQQUFI-HXUWFJFHSA-N 1 0 306.409 4.098 20 30 DIEDRO C[N@H+](CCc1ccccc1F)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824609484 1050228546 /nfs/dbraw/zinc/22/85/46/1050228546.db2.gz ABHVCIWPLMAILL-UHFFFAOYSA-N 1 0 308.400 4.055 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2Nc1cc(N2CCCCC2)cc[nH+]1 ZINC001171060808 1050228588 /nfs/dbraw/zinc/22/85/88/1050228588.db2.gz KYAUGNKGCHOUJV-LJQANCHMSA-N 1 0 318.424 4.043 20 30 DIEDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000734149686 1050230520 /nfs/dbraw/zinc/23/05/20/1050230520.db2.gz GDDKLQVBYJKSEG-FQEVSTJZSA-N 1 0 320.436 4.105 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001171062791 1050233947 /nfs/dbraw/zinc/23/39/47/1050233947.db2.gz NWLKQSHILAFYHH-LJQANCHMSA-N 1 0 318.424 4.043 20 30 DIEDRO C[C@@H]1CC(=NOCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000734298749 1050243638 /nfs/dbraw/zinc/24/36/38/1050243638.db2.gz KAPHQXZFZPYIBX-QGZVFWFLSA-N 1 0 308.425 4.244 20 30 DIEDRO CC(C)(C)Oc1cc[nH+]c(N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001171069048 1050248080 /nfs/dbraw/zinc/24/80/80/1050248080.db2.gz ZIHJDGZQIYUFNN-QGZVFWFLSA-N 1 0 307.397 4.230 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)cc2)CC1 ZINC000824882973 1050256160 /nfs/dbraw/zinc/25/61/60/1050256160.db2.gz FECVKFIZZRSZSR-HXUWFJFHSA-N 1 0 302.421 4.059 20 30 DIEDRO COc1ccc([C@@H]2CCCCCN2Cc2ccncc2C#N)cc1 ZINC000592059103 1050264164 /nfs/dbraw/zinc/26/41/64/1050264164.db2.gz NBPVUHZEFDCMOW-FQEVSTJZSA-N 1 0 321.424 4.079 20 30 DIEDRO N#Cc1cnccc1C[N@@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000592072818 1050269450 /nfs/dbraw/zinc/26/94/50/1050269450.db2.gz YYHUXYNAYOYRHF-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592072021 1050269652 /nfs/dbraw/zinc/26/96/52/1050269652.db2.gz FAUZSBJYXJRBAV-WOJBJXKFSA-N 1 0 305.425 4.030 20 30 DIEDRO Cc1cccc(C2([NH2+]CCCC3(C#N)CCOCC3)CCC2)c1 ZINC000592147016 1050270627 /nfs/dbraw/zinc/27/06/27/1050270627.db2.gz YIXSQUWBUBZRGS-UHFFFAOYSA-N 1 0 312.457 4.064 20 30 DIEDRO C[N@H+](Cc1ccncc1C#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000592125205 1050271632 /nfs/dbraw/zinc/27/16/32/1050271632.db2.gz UXDMYEBFKXTHBW-UXHICEINSA-N 1 0 305.425 4.111 20 30 DIEDRO C[N@H+](Cc1ccncc1C#N)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000592125204 1050271831 /nfs/dbraw/zinc/27/18/31/1050271831.db2.gz UXDMYEBFKXTHBW-PMACEKPBSA-N 1 0 305.425 4.111 20 30 DIEDRO Cc1ccc(C2([NH2+]CCCC3(C#N)CCOCC3)CCC2)cc1 ZINC000592189822 1050274808 /nfs/dbraw/zinc/27/48/08/1050274808.db2.gz XCFHHTMKFQSRPC-UHFFFAOYSA-N 1 0 312.457 4.064 20 30 DIEDRO COc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)cc1OCCCC#N ZINC000734511052 1050281430 /nfs/dbraw/zinc/28/14/30/1050281430.db2.gz VGSKAZUIOYRTMT-HNNXBMFYSA-N 1 0 318.461 4.150 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000592371042 1050289070 /nfs/dbraw/zinc/28/90/70/1050289070.db2.gz BKIKIJCTAKGREQ-UHFFFAOYSA-N 1 0 318.342 4.370 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(OC)c(O[C@@H](C)CC)c2)c1 ZINC000825227397 1050290874 /nfs/dbraw/zinc/29/08/74/1050290874.db2.gz TUDPMAVFGCSCNV-INIZCTEOSA-N 1 0 323.436 4.144 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000825261623 1050291000 /nfs/dbraw/zinc/29/10/00/1050291000.db2.gz ANXAMUXNBGBDHV-OWCLPIDISA-N 1 0 310.482 4.014 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)c1cccc(C#N)c1 ZINC000592392573 1050291996 /nfs/dbraw/zinc/29/19/96/1050291996.db2.gz NMRXVMWOZHVGKF-RHSMWYFYSA-N 1 0 324.449 4.152 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CSc2ccccc2O1)c1ccc(C#N)cc1 ZINC000592392555 1050292436 /nfs/dbraw/zinc/29/24/36/1050292436.db2.gz KUGLUBLWFNPURY-WMLDXEAASA-N 1 0 324.449 4.152 20 30 DIEDRO N#Cc1cc(F)ccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001210553926 1050293422 /nfs/dbraw/zinc/29/34/22/1050293422.db2.gz ABFKJHRXNMEQQT-UHFFFAOYSA-N 1 0 309.388 4.079 20 30 DIEDRO CCC[N@H+](CCC#N)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171081770 1050295138 /nfs/dbraw/zinc/29/51/38/1050295138.db2.gz FNKFZSMXYUVWKS-CQSZACIVSA-N 1 0 311.256 4.476 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC(C)(C)C1 ZINC000825331977 1050295346 /nfs/dbraw/zinc/29/53/46/1050295346.db2.gz OWBFAQFZOGKGNY-OAHLLOKOSA-N 1 0 300.446 4.376 20 30 DIEDRO COc1ccc([C@@H](CC(C)C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000592386865 1050296826 /nfs/dbraw/zinc/29/68/26/1050296826.db2.gz MVLHABJFCBMNTF-HXUWFJFHSA-N 1 0 308.425 4.444 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000771894404 1050298710 /nfs/dbraw/zinc/29/87/10/1050298710.db2.gz XGQQUGDIBVLHQD-HXUWFJFHSA-N 1 0 309.384 4.005 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccc(C#N)cc3C)C2)c1 ZINC001171086765 1050302855 /nfs/dbraw/zinc/30/28/55/1050302855.db2.gz JTWTUUYSDZDGJP-MXVIHJGJSA-N 1 0 320.436 4.253 20 30 DIEDRO CCCC[N@H+](CC(C)(C)CCC#N)[C@@H]1CCc2ncsc2C1 ZINC000592527507 1050317573 /nfs/dbraw/zinc/31/75/73/1050317573.db2.gz BJULDBFBGCOCNC-OAHLLOKOSA-N 1 0 319.518 4.432 20 30 DIEDRO CCCCC[N@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C(C)C ZINC000734829731 1050321839 /nfs/dbraw/zinc/32/18/39/1050321839.db2.gz WTCVSQJOGOUXPI-UHFFFAOYSA-N 1 0 310.445 4.280 20 30 DIEDRO Cc1sc(N=C2CCC([NH+]3CCCC3)CC2)c(C#N)c1C ZINC001210705079 1050342285 /nfs/dbraw/zinc/34/22/85/1050342285.db2.gz MEQTVUDBMJMMPW-HNNXBMFYSA-N 1 0 301.459 4.181 20 30 DIEDRO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001143725994 1050345172 /nfs/dbraw/zinc/34/51/72/1050345172.db2.gz ATZSXGROADBBOB-INIZCTEOSA-N 1 0 310.828 4.276 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@@H](SC)C2)c(O)c1 ZINC000735228895 1050355983 /nfs/dbraw/zinc/35/59/83/1050355983.db2.gz KQHNTVUHLBFGLL-FLDNEHPCSA-N 1 0 320.502 4.332 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171105323 1050357222 /nfs/dbraw/zinc/35/72/22/1050357222.db2.gz SFRUQWYMAJPFQU-YLJYHZDGSA-N 1 0 322.839 4.346 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000574082061 1050369199 /nfs/dbraw/zinc/36/91/99/1050369199.db2.gz OTCPDTXXRBZCDJ-IOASZLSFSA-N 1 0 313.363 4.337 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@H]2CCc3cc(Cl)ccc3C2)cc1C ZINC001171110483 1050371329 /nfs/dbraw/zinc/37/13/29/1050371329.db2.gz CFYOCZJDLJCGCE-SFHVURJKSA-N 1 0 312.844 4.220 20 30 DIEDRO C#CC[N@H+](Cc1nccc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000772600700 1050376211 /nfs/dbraw/zinc/37/62/11/1050376211.db2.gz WOXIEQJBMMJJRO-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(OCC#N)cc2)cc1 ZINC000844231691 1050382428 /nfs/dbraw/zinc/38/24/28/1050382428.db2.gz UVMAVXLEZHNPDM-INIZCTEOSA-N 1 0 306.409 4.240 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593071801 1050382586 /nfs/dbraw/zinc/38/25/86/1050382586.db2.gz BFQATWZOEPRAKK-UHFFFAOYSA-N 1 0 304.384 4.109 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)c(OC(F)(F)F)c1)C(C)(C)C ZINC001143879345 1050387220 /nfs/dbraw/zinc/38/72/20/1050387220.db2.gz HMOIGYXREYXMRC-UHFFFAOYSA-N 1 0 317.351 4.380 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171117140 1050395661 /nfs/dbraw/zinc/39/56/61/1050395661.db2.gz VWXQNEYQWAGTJF-FQEVSTJZSA-N 1 0 322.839 4.127 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000735492045 1050404617 /nfs/dbraw/zinc/40/46/17/1050404617.db2.gz IRAFTGCDPHZWLS-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO CCCCCCCC[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000157809676 1050405616 /nfs/dbraw/zinc/40/56/16/1050405616.db2.gz LEIMBKNXDDNJRQ-UHFFFAOYSA-N 1 0 320.477 4.143 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844439680 1050426973 /nfs/dbraw/zinc/42/69/73/1050426973.db2.gz JTYFSUVSHDCAFJ-KRWDZBQOSA-N 1 0 304.384 4.109 20 30 DIEDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000593626329 1050429689 /nfs/dbraw/zinc/42/96/89/1050429689.db2.gz WUNZUOHIOSIKRX-GTPINHCMSA-N 1 0 322.493 4.054 20 30 DIEDRO COC[C@H](CC(C)(C)C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000593630343 1050430393 /nfs/dbraw/zinc/43/03/93/1050430393.db2.gz VBQXLHOMIMZJBW-ROUUACIJSA-N 1 0 302.462 4.462 20 30 DIEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000593654977 1050431901 /nfs/dbraw/zinc/43/19/01/1050431901.db2.gz TYDJLNOMXKQGKF-KBPBESRZSA-N 1 0 313.470 4.462 20 30 DIEDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2cc(F)ccc2O1 ZINC000593673733 1050435320 /nfs/dbraw/zinc/43/53/20/1050435320.db2.gz IMHVKGODMRYFQG-INWMFGNUSA-N 1 0 302.393 4.100 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000593719899 1050436339 /nfs/dbraw/zinc/43/63/39/1050436339.db2.gz IZGOMKMHAFRNDA-WFASDCNBSA-N 1 0 308.347 4.366 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171129214 1050440815 /nfs/dbraw/zinc/44/08/15/1050440815.db2.gz KEWLLVPKZVZPAG-LJQANCHMSA-N 1 0 310.828 4.201 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC001144025643 1050444631 /nfs/dbraw/zinc/44/46/31/1050444631.db2.gz WACFUFXJBQJXNI-QGZVFWFLSA-N 1 0 310.526 4.316 20 30 DIEDRO N#CCC[N@H+](C1CCCC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171131641 1050449581 /nfs/dbraw/zinc/44/95/81/1050449581.db2.gz YWZMJAZDOJXQMJ-SFHVURJKSA-N 1 0 302.849 4.356 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000058932138 1050453078 /nfs/dbraw/zinc/45/30/78/1050453078.db2.gz PMUMBXBZVKXAMH-UHFFFAOYSA-N 1 0 310.828 4.442 20 30 DIEDRO N#Cc1cncc(CN2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001144079109 1050460998 /nfs/dbraw/zinc/46/09/98/1050460998.db2.gz BDUVHPJVOVOQEI-CYBMUJFWSA-N 1 0 303.818 4.005 20 30 DIEDRO CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC001144083645 1050462598 /nfs/dbraw/zinc/46/25/98/1050462598.db2.gz MLHCWYSRYGRHCE-QGZVFWFLSA-N 1 0 309.438 4.012 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(CCc3ccc(F)cc3F)CC2)C1 ZINC000594019020 1050466643 /nfs/dbraw/zinc/46/66/43/1050466643.db2.gz CRWCGVZDPWVNKI-MAUKXSAKSA-N 1 0 318.411 4.302 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594026112 1050467698 /nfs/dbraw/zinc/46/76/98/1050467698.db2.gz CXGXEKRXMWNIJG-IBGZPJMESA-N 1 0 312.457 4.021 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1CN(Cc2ccccc2)C1 ZINC000716254425 1050470400 /nfs/dbraw/zinc/47/04/00/1050470400.db2.gz QPFMBIAYKWIIHQ-GOSISDBHSA-N 1 0 302.506 4.457 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000594053479 1050473231 /nfs/dbraw/zinc/47/32/31/1050473231.db2.gz BLBYGBATMXQZLS-QGZVFWFLSA-N 1 0 311.429 4.268 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)o1 ZINC001171147155 1050484801 /nfs/dbraw/zinc/48/48/01/1050484801.db2.gz CRGLWBIBYKVUET-GFCCVEGCSA-N 1 0 321.207 4.105 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000736623716 1050484891 /nfs/dbraw/zinc/48/48/91/1050484891.db2.gz PLDPPXAQKTXGAR-GOSISDBHSA-N 1 0 310.397 4.299 20 30 DIEDRO CC(C)(S)C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171147839 1050489926 /nfs/dbraw/zinc/48/99/26/1050489926.db2.gz LUUBTGUEJHCSSO-LLVKDONJSA-N 1 0 304.286 4.149 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2cc(Cl)c(Cl)cc2C#N)cc1 ZINC001211134208 1050491791 /nfs/dbraw/zinc/49/17/91/1050491791.db2.gz DFZDSOPJXRKZRJ-UHFFFAOYSA-N 1 0 306.196 4.328 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(Cl)c(C#N)c2Cl)c1 ZINC001211142543 1050493382 /nfs/dbraw/zinc/49/33/82/1050493382.db2.gz ZFTRYMSVFFLQDJ-UHFFFAOYSA-N 1 0 306.196 4.328 20 30 DIEDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498527 1050517887 /nfs/dbraw/zinc/51/78/87/1050517887.db2.gz RIHZWMQQFFVQSZ-MJGOQNOKSA-N 1 0 314.473 4.029 20 30 DIEDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594497225 1050519545 /nfs/dbraw/zinc/51/95/45/1050519545.db2.gz DVCUXTWLLSTDJV-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO COCCC1(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCCC1 ZINC000594497629 1050519623 /nfs/dbraw/zinc/51/96/23/1050519623.db2.gz JDBOAFFBSQJKQL-UHFFFAOYSA-N 1 0 314.473 4.174 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000594498768 1050519691 /nfs/dbraw/zinc/51/96/91/1050519691.db2.gz WCJKLLVJKGAKEZ-SFHVURJKSA-N 1 0 312.457 4.069 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594502646 1050521204 /nfs/dbraw/zinc/52/12/04/1050521204.db2.gz OPGIZRJXRCEQNB-UHFFFAOYSA-N 1 0 320.436 4.342 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1oc2ccccc2c1Br ZINC000594506606 1050521752 /nfs/dbraw/zinc/52/17/52/1050521752.db2.gz CXXLRPXHKXXDPB-UHFFFAOYSA-N 1 0 321.218 4.225 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2ccccc2O1 ZINC000594506528 1050521852 /nfs/dbraw/zinc/52/18/52/1050521852.db2.gz ANWAGCIAVXSJBR-DNVCBOLYSA-N 1 0 320.436 4.490 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000594501379 1050522129 /nfs/dbraw/zinc/52/21/29/1050522129.db2.gz ZPIZASGJVQGOAY-QGZVFWFLSA-N 1 0 320.436 4.144 20 30 DIEDRO CC(C)[NH+](CCCNCc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000594515367 1050524805 /nfs/dbraw/zinc/52/48/05/1050524805.db2.gz UHMGPADBLPLQHF-UHFFFAOYSA-N 1 0 315.505 4.086 20 30 DIEDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594510300 1050526589 /nfs/dbraw/zinc/52/65/89/1050526589.db2.gz BMCZFFYDVPMQKL-SJORKVTESA-N 1 0 302.487 4.252 20 30 DIEDRO Cc1nc(C)c([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594514642 1050526912 /nfs/dbraw/zinc/52/69/12/1050526912.db2.gz KNAOHJOYCAOPMJ-ZDUSSCGKSA-N 1 0 311.454 4.362 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(C#N)cc1F ZINC000594519191 1050527542 /nfs/dbraw/zinc/52/75/42/1050527542.db2.gz VFEFWRJKFRNWSR-CQSZACIVSA-N 1 0 319.383 4.299 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4ccc(F)cc43)CCC2)cc1 ZINC000594516467 1050527729 /nfs/dbraw/zinc/52/77/29/1050527729.db2.gz RTGIEJDCONYOSA-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2csc(Cl)c2)cc1C#N ZINC000786922602 1050528379 /nfs/dbraw/zinc/52/83/79/1050528379.db2.gz KTTQSQLBIJHOJO-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO CCOc1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594518602 1050529128 /nfs/dbraw/zinc/52/91/28/1050529128.db2.gz IGWOGXHPGQRRQS-UHFFFAOYSA-N 1 0 306.409 4.126 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CC3=Cc4ccccc4OC3)CCC2)cc1 ZINC000594521285 1050530472 /nfs/dbraw/zinc/53/04/72/1050530472.db2.gz TWOUMKFQWUHNEM-UHFFFAOYSA-N 1 0 316.404 4.003 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cscc3Cl)CCC2)cc1 ZINC000594521277 1050531055 /nfs/dbraw/zinc/53/10/55/1050531055.db2.gz SYLPQMAHINSJAG-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO CCOc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1F ZINC000594521180 1050531321 /nfs/dbraw/zinc/53/13/21/1050531321.db2.gz SFNFJLZMWMBDME-UHFFFAOYSA-N 1 0 324.399 4.265 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccncc1 ZINC000738430060 1050534396 /nfs/dbraw/zinc/53/43/96/1050534396.db2.gz GDCBTHYWGAYCBJ-GOSISDBHSA-N 1 0 308.425 4.202 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144307616 1050538744 /nfs/dbraw/zinc/53/87/44/1050538744.db2.gz BWIXFWXJWKSQND-UHFFFAOYSA-N 1 0 316.214 4.082 20 30 DIEDRO CCc1cccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001144329502 1050544732 /nfs/dbraw/zinc/54/47/32/1050544732.db2.gz YNBBJSDZHUDRTB-UHFFFAOYSA-N 1 0 322.427 4.445 20 30 DIEDRO C=C(C)C[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000594736661 1050548668 /nfs/dbraw/zinc/54/86/68/1050548668.db2.gz XGMNVJWVZBZOOO-UHFFFAOYSA-N 1 0 315.436 4.437 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000594713490 1050549633 /nfs/dbraw/zinc/54/96/33/1050549633.db2.gz ZJKJTWGEPSHLLJ-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO Cc1nc(C[NH+]2CCC(C#Cc3ccccc3)CC2)sc1C ZINC001144375354 1050555101 /nfs/dbraw/zinc/55/51/01/1050555101.db2.gz QDONEZZCSDFKBF-UHFFFAOYSA-N 1 0 310.466 4.024 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2)cc1OC ZINC000065275154 1050559369 /nfs/dbraw/zinc/55/93/69/1050559369.db2.gz JNDYXFSKYKJBMV-UHFFFAOYSA-N 1 0 311.425 4.285 20 30 DIEDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594923768 1050562462 /nfs/dbraw/zinc/56/24/62/1050562462.db2.gz LQDPEQYQYBUOHP-DLBZAZTESA-N 1 0 300.471 4.006 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000594917245 1050563039 /nfs/dbraw/zinc/56/30/39/1050563039.db2.gz IFDWHGQRRYXCCR-AWEZNQCLSA-N 1 0 324.399 4.240 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000594918023 1050563223 /nfs/dbraw/zinc/56/32/23/1050563223.db2.gz OPOKLYJAWBDJRD-LJQANCHMSA-N 1 0 306.384 4.158 20 30 DIEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594923072 1050563508 /nfs/dbraw/zinc/56/35/08/1050563508.db2.gz DCRXYPCBQAFXNE-KSSFIOAISA-N 1 0 306.409 4.248 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001171174817 1050563702 /nfs/dbraw/zinc/56/37/02/1050563702.db2.gz CYPFNCBNIVHSRO-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594921829 1050563825 /nfs/dbraw/zinc/56/38/25/1050563825.db2.gz UNCJZVQXTJJEMX-MRXNPFEDSA-N 1 0 320.436 4.491 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594920882 1050563849 /nfs/dbraw/zinc/56/38/49/1050563849.db2.gz ILOVNRGNWMQQKX-AWEZNQCLSA-N 1 0 310.466 4.333 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000594923162 1050564050 /nfs/dbraw/zinc/56/40/50/1050564050.db2.gz DRXIKBMTWUCMPX-AWEZNQCLSA-N 1 0 321.380 4.001 20 30 DIEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594921549 1050564486 /nfs/dbraw/zinc/56/44/86/1050564486.db2.gz CKFUFFCRLYKGOC-YWZLYKJASA-N 1 0 302.421 4.265 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cc(C)cc(Cl)c2)no1 ZINC001211436156 1050565969 /nfs/dbraw/zinc/56/59/69/1050565969.db2.gz CSEJHCIOQYGXIA-UHFFFAOYSA-N 1 0 317.820 4.198 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cccc(Cl)c2C)no1 ZINC001211436441 1050566191 /nfs/dbraw/zinc/56/61/91/1050566191.db2.gz LFILJKNPCNCAJU-UHFFFAOYSA-N 1 0 317.820 4.198 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(C(C)C)cc2)no1 ZINC001211436721 1050567709 /nfs/dbraw/zinc/56/77/09/1050567709.db2.gz UOZQVJWTSYJAFJ-UHFFFAOYSA-N 1 0 311.429 4.359 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171178886 1050573707 /nfs/dbraw/zinc/57/37/07/1050573707.db2.gz LKZLYYOWBYHMGE-MRXNPFEDSA-N 1 0 308.425 4.066 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)n1cc(CCC[NH3+])c2ccccc21 ZINC001171181502 1050575446 /nfs/dbraw/zinc/57/54/46/1050575446.db2.gz MDMPBZBMGHTXNE-MRXNPFEDSA-N 1 0 317.436 4.208 20 30 DIEDRO [NH2+]=C(Nc1cccc2c1CC=C2)c1ccc2cc(O)ccc2c1 ZINC001171181856 1050575853 /nfs/dbraw/zinc/57/58/53/1050575853.db2.gz FAWNIXOMRZLGEB-UHFFFAOYSA-N 1 0 300.361 4.152 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000594936466 1050576123 /nfs/dbraw/zinc/57/61/23/1050576123.db2.gz CYIANLLYHSLUJA-FQEVSTJZSA-N 1 0 306.409 4.043 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)CC1 ZINC000594936307 1050576270 /nfs/dbraw/zinc/57/62/70/1050576270.db2.gz BQUXHJHFYSKOPV-UHFFFAOYSA-N 1 0 301.393 4.013 20 30 DIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594938324 1050576724 /nfs/dbraw/zinc/57/67/24/1050576724.db2.gz MOANZGFKHLRAKH-HNNXBMFYSA-N 1 0 310.363 4.308 20 30 DIEDRO CCS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594935216 1050576764 /nfs/dbraw/zinc/57/67/64/1050576764.db2.gz DVZHTMIVRUBPOL-MSOLQXFVSA-N 1 0 314.498 4.396 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(C)c1 ZINC000594948892 1050579308 /nfs/dbraw/zinc/57/93/08/1050579308.db2.gz BZAGHVTWHHTVBW-NRFANRHFSA-N 1 0 320.436 4.433 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000594960158 1050581024 /nfs/dbraw/zinc/58/10/24/1050581024.db2.gz LNKZOPXYSAYLTI-UHFFFAOYSA-N 1 0 316.445 4.287 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(F)c1Cl ZINC001171185296 1050581980 /nfs/dbraw/zinc/58/19/80/1050581980.db2.gz QHGQGJPZWBLCDV-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO COc1cc(C[NH2+][C@H](c2ccccc2F)C(C)C)ccc1C#N ZINC000594968074 1050583508 /nfs/dbraw/zinc/58/35/08/1050583508.db2.gz DQJXKTIBJOXVSK-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(C#N)c1 ZINC000594966918 1050584075 /nfs/dbraw/zinc/58/40/75/1050584075.db2.gz DBDJAFFMZRYXEU-UHFFFAOYSA-N 1 0 315.420 4.138 20 30 DIEDRO CCOc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1C ZINC001171184592 1050584895 /nfs/dbraw/zinc/58/48/95/1050584895.db2.gz NGVGGEMQJHNFKW-UHFFFAOYSA-N 1 0 320.392 4.290 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001171185710 1050586322 /nfs/dbraw/zinc/58/63/22/1050586322.db2.gz RMEOOFJRTDYNQH-YJYMSZOUSA-N 1 0 310.828 4.420 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+]CC1(C#N)CCCCC1 ZINC000594981359 1050588141 /nfs/dbraw/zinc/58/81/41/1050588141.db2.gz NPSXMWXLACSGMS-SFQUDFHCSA-N 1 0 312.457 4.300 20 30 DIEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C#N)CCCCC1 ZINC000594982164 1050589035 /nfs/dbraw/zinc/58/90/35/1050589035.db2.gz ZVTHXRHNORJWBJ-XNTDXEJSSA-N 1 0 313.401 4.062 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1Cc1sc2nc(C)nc(C)c2c1C ZINC000787308577 1050590415 /nfs/dbraw/zinc/59/04/15/1050590415.db2.gz DDEMRDZSFURYAA-AWEZNQCLSA-N 1 0 301.459 4.157 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CCC(F)CC1 ZINC000594988646 1050590740 /nfs/dbraw/zinc/59/07/40/1050590740.db2.gz AMMSTEQHMQKBDJ-NXVRBGIVSA-N 1 0 300.421 4.248 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000595058674 1050594095 /nfs/dbraw/zinc/59/40/95/1050594095.db2.gz ITUBTBASEKESFU-SFHVURJKSA-N 1 0 316.445 4.209 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCc1cccc(Cl)c1 ZINC001171190000 1050594601 /nfs/dbraw/zinc/59/46/01/1050594601.db2.gz OLJWWPTVHVGTDK-OAHLLOKOSA-N 1 0 312.844 4.365 20 30 DIEDRO CC(C)C[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1ccccn1 ZINC001171191727 1050595125 /nfs/dbraw/zinc/59/51/25/1050595125.db2.gz DQHFBTQBTNZPFH-JXFKEZNVSA-N 1 0 307.441 4.261 20 30 DIEDRO C=CCCSCC[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000595057183 1050595181 /nfs/dbraw/zinc/59/51/81/1050595181.db2.gz BMAPCWDVHYOOIJ-HNNXBMFYSA-N 1 0 309.500 4.131 20 30 DIEDRO C=CCCSCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000595057170 1050595410 /nfs/dbraw/zinc/59/54/10/1050595410.db2.gz BHJVSXWAGFBHGN-GOSISDBHSA-N 1 0 316.445 4.209 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171190226 1050596661 /nfs/dbraw/zinc/59/66/61/1050596661.db2.gz QJKFJPHYCUAGMN-OXJNMPFZSA-N 1 0 319.452 4.098 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171192954 1050596676 /nfs/dbraw/zinc/59/66/76/1050596676.db2.gz RAEUAAGQUDUOHD-XOBRGWDASA-N 1 0 324.855 4.290 20 30 DIEDRO C=CCCCCC[N@@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000739929816 1050598695 /nfs/dbraw/zinc/59/86/95/1050598695.db2.gz GTUVIOOJLCMZBK-MRXNPFEDSA-N 1 0 315.379 4.417 20 30 DIEDRO CCOC1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000595039303 1050600316 /nfs/dbraw/zinc/60/03/16/1050600316.db2.gz QZIICGBZDBBUDQ-ACBHZAAOSA-N 1 0 300.446 4.359 20 30 DIEDRO CC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171192051 1050600408 /nfs/dbraw/zinc/60/04/08/1050600408.db2.gz JLOZQNJXEFYSLN-GJZGRUSLSA-N 1 0 306.409 4.043 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC001171195345 1050601444 /nfs/dbraw/zinc/60/14/44/1050601444.db2.gz RTJDRNCRTYUQLB-XOBRGWDASA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC001171195342 1050601787 /nfs/dbraw/zinc/60/17/87/1050601787.db2.gz RTJDRNCRTYUQLB-JLTOFOAXSA-N 1 0 308.400 4.296 20 30 DIEDRO COc1ccc(C2([NH2+][C@@H](C)Cc3cccc(C#N)c3)CCC2)cc1 ZINC001171194217 1050602251 /nfs/dbraw/zinc/60/22/51/1050602251.db2.gz HVUFDVJCCIPLMV-INIZCTEOSA-N 1 0 320.436 4.167 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2cccc(C#N)c2)c(F)c1F ZINC001171195903 1050604737 /nfs/dbraw/zinc/60/47/37/1050604737.db2.gz WATBXCOXIACDJS-KGLIPLIRSA-N 1 0 314.379 4.427 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC3(CC3(F)F)CC1)CC2 ZINC000595097875 1050605761 /nfs/dbraw/zinc/60/57/61/1050605761.db2.gz LVLMJLGBULDYJQ-WIHSUSGWSA-N 1 0 302.368 4.103 20 30 DIEDRO C[C@@]1(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1(F)F ZINC000595079076 1050608851 /nfs/dbraw/zinc/60/88/51/1050608851.db2.gz CVHYJLPSLCARHC-LXPRWKDFSA-N 1 0 318.411 4.416 20 30 DIEDRO N#CC1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCCCC1 ZINC000595091650 1050608862 /nfs/dbraw/zinc/60/88/62/1050608862.db2.gz SSQCYOHDDMZGSH-UHFFFAOYSA-N 1 0 304.478 4.320 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090489 1050609346 /nfs/dbraw/zinc/60/93/46/1050609346.db2.gz GFWZSBMFOZVNMU-ROUUACIJSA-N 1 0 311.473 4.480 20 30 DIEDRO C[C@H]([NH2+]CCc1cn(C)c2ccccc12)c1ccc(C#N)cc1F ZINC000595079334 1050609931 /nfs/dbraw/zinc/60/99/31/1050609931.db2.gz WJAWDWPUJXMHCW-AWEZNQCLSA-N 1 0 321.399 4.082 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171197726 1050610240 /nfs/dbraw/zinc/61/02/40/1050610240.db2.gz BTKRGGAUPJWCEG-JKSUJKDBSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1cccc(Cl)c1F ZINC001171198300 1050610768 /nfs/dbraw/zinc/61/07/68/1050610768.db2.gz JRBDRIOPBAEIAM-ZDUSSCGKSA-N 1 0 316.807 4.114 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000595092140 1050611180 /nfs/dbraw/zinc/61/11/80/1050611180.db2.gz XSUISKKDAVHYQQ-MJGOQNOKSA-N 1 0 317.521 4.093 20 30 DIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(C#N)CCCCC3)CC2)C1 ZINC000595092168 1050611418 /nfs/dbraw/zinc/61/14/18/1050611418.db2.gz YHQCQJSINCPHKN-HKUYNNGSSA-N 1 0 317.521 4.093 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(C)(C)Cc1cccc(F)c1 ZINC001171198760 1050618081 /nfs/dbraw/zinc/61/80/81/1050618081.db2.gz PONPKIFTMOUSTC-MRXNPFEDSA-N 1 0 324.443 4.487 20 30 DIEDRO CC(C)C[N@H+](Cc1cc(C2CC2)no1)Cc1ccc(C#N)cc1 ZINC000595296505 1050618879 /nfs/dbraw/zinc/61/88/79/1050618879.db2.gz FEOUTMGSHJEVLB-UHFFFAOYSA-N 1 0 309.413 4.082 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)cc1 ZINC001144578768 1050619792 /nfs/dbraw/zinc/61/97/92/1050619792.db2.gz OANGKYVAILMAIF-UHFFFAOYSA-N 1 0 317.432 4.028 20 30 DIEDRO C#Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cccnc2)cc1 ZINC001144573346 1050620919 /nfs/dbraw/zinc/62/09/19/1050620919.db2.gz GXYALMBQCRRYRV-UHFFFAOYSA-N 1 0 312.416 4.265 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001171200720 1050625939 /nfs/dbraw/zinc/62/59/39/1050625939.db2.gz AVOBAADNEOVBSQ-UZLBHIALSA-N 1 0 304.437 4.199 20 30 DIEDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@@H](C)Cc1cccc(C#N)c1 ZINC001171200700 1050626060 /nfs/dbraw/zinc/62/60/60/1050626060.db2.gz AOXPLRTWDFHROM-ZDUSSCGKSA-N 1 0 311.816 4.066 20 30 DIEDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171201796 1050629978 /nfs/dbraw/zinc/62/99/78/1050629978.db2.gz RBIPQAPWZJGYSD-HOTGVXAUSA-N 1 0 308.425 4.239 20 30 DIEDRO CC[C@@H](CC(F)F)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000595409392 1050631502 /nfs/dbraw/zinc/63/15/02/1050631502.db2.gz WSCMMPOLJRSNQI-AWEZNQCLSA-N 1 0 304.384 4.329 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000595419796 1050632836 /nfs/dbraw/zinc/63/28/36/1050632836.db2.gz LHWSZGWOVKGSON-QGZVFWFLSA-N 1 0 319.452 4.052 20 30 DIEDRO CC[N@H+](Cc1cc(OC(C)C)ccn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000592999865 1050633678 /nfs/dbraw/zinc/63/36/78/1050633678.db2.gz VHNXPHIYWCGMFZ-INIZCTEOSA-N 1 0 323.440 4.324 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000740873577 1050634109 /nfs/dbraw/zinc/63/41/09/1050634109.db2.gz MLEOXKQVIZSFRX-QGZVFWFLSA-N 1 0 318.509 4.154 20 30 DIEDRO CC(C)c1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000595471873 1050634508 /nfs/dbraw/zinc/63/45/08/1050634508.db2.gz FVRBXQHCUCFULC-UHFFFAOYSA-N 1 0 319.452 4.262 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001171202406 1050635178 /nfs/dbraw/zinc/63/51/78/1050635178.db2.gz ZAEGVUUIRIYUKF-XIKOKIGWSA-N 1 0 312.363 4.045 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](C)CCCC(C)C)CC2 ZINC001170080750 1050636160 /nfs/dbraw/zinc/63/61/60/1050636160.db2.gz LURMEAGVVSETJD-UYAOXDASSA-N 1 0 320.521 4.234 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000845941320 1050636447 /nfs/dbraw/zinc/63/64/47/1050636447.db2.gz LEPUJVUBTLNNEX-ZGRYLRDCSA-N 1 0 322.493 4.157 20 30 DIEDRO CCCCCCC[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000740877125 1050637167 /nfs/dbraw/zinc/63/71/67/1050637167.db2.gz BDIPDMHEYLLISJ-FQEVSTJZSA-N 1 0 322.537 4.460 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cnc2ccccc2n1)c1ccccc1 ZINC000595503461 1050637239 /nfs/dbraw/zinc/63/72/39/1050637239.db2.gz WADYWCQUSKIURK-GOSISDBHSA-N 1 0 316.408 4.155 20 30 DIEDRO CCCCCCC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000740877305 1050637362 /nfs/dbraw/zinc/63/73/62/1050637362.db2.gz LUKNTBLQEFILBU-UHFFFAOYSA-N 1 0 308.510 4.118 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000845927011 1050637416 /nfs/dbraw/zinc/63/74/16/1050637416.db2.gz WEXDBVHZIJIRSV-BFYDXBDKSA-N 1 0 314.429 4.039 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000845975994 1050638806 /nfs/dbraw/zinc/63/88/06/1050638806.db2.gz DJFZKSVWSUNLPN-XHSDSOJGSA-N 1 0 310.482 4.014 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001171204437 1050646337 /nfs/dbraw/zinc/64/63/37/1050646337.db2.gz XWJOYYKOLNMKOS-FOIQADDNSA-N 1 0 308.400 4.465 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC([C@H](F)c3ccccc3F)CC2)C1 ZINC000575199431 1050648285 /nfs/dbraw/zinc/64/82/85/1050648285.db2.gz SXRNNOQZOKJJDJ-XUWXXGDYSA-N 1 0 304.384 4.241 20 30 DIEDRO CC(C)(C#N)CCC[N@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000595638177 1050654502 /nfs/dbraw/zinc/65/45/02/1050654502.db2.gz RLNQZAKIDJBYLF-SFHVURJKSA-N 1 0 314.473 4.386 20 30 DIEDRO CC(C)([NH2+]Cc1ccccc1OC(F)F)c1cccc(C#N)c1 ZINC000595636571 1050654658 /nfs/dbraw/zinc/65/46/58/1050654658.db2.gz QZYMWSAQFHBINC-UHFFFAOYSA-N 1 0 316.351 4.185 20 30 DIEDRO C[C@H]([NH2+]Cc1coc2ccccc12)c1ccc(OCC#N)cc1 ZINC000746727956 1050654748 /nfs/dbraw/zinc/65/47/48/1050654748.db2.gz JDLXVSMYWQBALE-AWEZNQCLSA-N 1 0 306.365 4.186 20 30 DIEDRO CC(C)([NH2+]Cc1ccccc1OC1CC1)c1cccc(C#N)c1 ZINC000595632889 1050654991 /nfs/dbraw/zinc/65/49/91/1050654991.db2.gz IZFJGZHWHZHMBN-UHFFFAOYSA-N 1 0 306.409 4.124 20 30 DIEDRO COc1cccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1Cl ZINC000595631966 1050655039 /nfs/dbraw/zinc/65/50/39/1050655039.db2.gz AAMBBVUGKXHQNL-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCCC3(CCCC3)CC2)CCOCC1 ZINC000595641110 1050658559 /nfs/dbraw/zinc/65/85/59/1050658559.db2.gz BJYVHPOCOYIKPD-UHFFFAOYSA-N 1 0 304.478 4.133 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000846053400 1050659609 /nfs/dbraw/zinc/65/96/09/1050659609.db2.gz QZKVXSINEWLMRY-HOTGVXAUSA-N 1 0 322.493 4.016 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1F ZINC000595692600 1050659772 /nfs/dbraw/zinc/65/97/72/1050659772.db2.gz OZGZYCQWAZVSLY-SFHVURJKSA-N 1 0 318.436 4.213 20 30 DIEDRO N#Cc1cc(CN2CC3(CCCC3)[C@H]2c2ccco2)ccc1F ZINC000595673915 1050660575 /nfs/dbraw/zinc/66/05/75/1050660575.db2.gz GIVMMADTMXPCTO-GOSISDBHSA-N 1 0 310.372 4.408 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000595692644 1050660819 /nfs/dbraw/zinc/66/08/19/1050660819.db2.gz PNEHPGQRQSUMCK-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001171211415 1050661438 /nfs/dbraw/zinc/66/14/38/1050661438.db2.gz ZEERHMCTMGPQAT-AWEZNQCLSA-N 1 0 304.384 4.001 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)s2)cc1C#N ZINC000746740164 1050662074 /nfs/dbraw/zinc/66/20/74/1050662074.db2.gz DBVJOOYNZPXXIU-UHFFFAOYSA-N 1 0 314.454 4.216 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595715280 1050663627 /nfs/dbraw/zinc/66/36/27/1050663627.db2.gz XDZVAUOCGMSJEG-UHFFFAOYSA-N 1 0 311.454 4.108 20 30 DIEDRO COc1cccc([C@]2(C)CC[N@H+](CCCCC(C)(C)C#N)C2)c1 ZINC000595762855 1050664833 /nfs/dbraw/zinc/66/48/33/1050664833.db2.gz ADBJMXKQQLGHRF-HXUWFJFHSA-N 1 0 314.473 4.379 20 30 DIEDRO COc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1C#N ZINC000746740540 1050667189 /nfs/dbraw/zinc/66/71/89/1050667189.db2.gz FSQMJVFNQZSZBD-UHFFFAOYSA-N 1 0 321.207 4.163 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000593125895 1050673573 /nfs/dbraw/zinc/67/35/73/1050673573.db2.gz QJZHFVUDTOMBIA-ACRUOGEOSA-N 1 0 318.420 4.053 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593124791 1050673664 /nfs/dbraw/zinc/67/36/64/1050673664.db2.gz JKNJWSIYYOCQOZ-ACRUOGEOSA-N 1 0 318.420 4.053 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846171264 1050680260 /nfs/dbraw/zinc/68/02/60/1050680260.db2.gz FMCXMFXFLRWOQN-WBVHZDCISA-N 1 0 311.425 4.239 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1O ZINC000846169610 1050681012 /nfs/dbraw/zinc/68/10/12/1050681012.db2.gz IIIILJYZEPHZRJ-QAPCUYQASA-N 1 0 324.424 4.487 20 30 DIEDRO CC[C@@H](/[NH+]=C\c1ccc(N(CC)CC)cc1O)c1ccncc1 ZINC000741466521 1050682702 /nfs/dbraw/zinc/68/27/02/1050682702.db2.gz UNIQDVNRBIVMRK-MKYLKIGJSA-N 1 0 311.429 4.204 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000596097405 1050684133 /nfs/dbraw/zinc/68/41/33/1050684133.db2.gz NTMNYRLTHWIYJO-JTQLQIEISA-N 1 0 302.315 4.327 20 30 DIEDRO C[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc(C#N)c(F)c1 ZINC000846215180 1050695403 /nfs/dbraw/zinc/69/54/03/1050695403.db2.gz MTFBVIPTSCGEIU-MFKMUULPSA-N 1 0 315.219 4.322 20 30 DIEDRO N#CC[C@H]1CCCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000596330656 1050709709 /nfs/dbraw/zinc/70/97/09/1050709709.db2.gz VJSUMXNZQYONBT-GFCCVEGCSA-N 1 0 319.330 4.384 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001171220647 1050710724 /nfs/dbraw/zinc/71/07/24/1050710724.db2.gz DCAZCJCZUSSBPH-DYESRHJHSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001171221216 1050711421 /nfs/dbraw/zinc/71/14/21/1050711421.db2.gz JCXQJOBDGYVKSP-UWJYYQICSA-N 1 0 304.437 4.054 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001171220708 1050712374 /nfs/dbraw/zinc/71/23/74/1050712374.db2.gz DQRBMRFXAKRSJT-UWJYYQICSA-N 1 0 320.436 4.033 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CC=C(C)CC2)cc(OC)c1OC ZINC000788643583 1050713162 /nfs/dbraw/zinc/71/31/62/1050713162.db2.gz GMQLQIWKMSQWKM-QGZVFWFLSA-N 1 0 301.430 4.021 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)CCc1cccc(Cl)c1 ZINC001171223009 1050713210 /nfs/dbraw/zinc/71/32/10/1050713210.db2.gz LGHOOYFSHMLCAT-HNNXBMFYSA-N 1 0 312.844 4.317 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001171222989 1050713945 /nfs/dbraw/zinc/71/39/45/1050713945.db2.gz KZMFINGMGMBBSD-BEFAXECRSA-N 1 0 308.400 4.118 20 30 DIEDRO CC(C)c1nc(C[N@H+](C)[C@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171224105 1050715057 /nfs/dbraw/zinc/71/50/57/1050715057.db2.gz PNEOQUBEZKMFLY-CQSZACIVSA-N 1 0 313.470 4.201 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171228637 1050722913 /nfs/dbraw/zinc/72/29/13/1050722913.db2.gz HNGYYHFIUPPILK-IRXDYDNUSA-N 1 0 322.452 4.061 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171228633 1050723473 /nfs/dbraw/zinc/72/34/73/1050723473.db2.gz HNGYYHFIUPPILK-DLBZAZTESA-N 1 0 322.452 4.061 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171229057 1050724276 /nfs/dbraw/zinc/72/42/76/1050724276.db2.gz KGZGDKUGHOSFIE-IIBYNOLFSA-N 1 0 304.437 4.499 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171229052 1050725124 /nfs/dbraw/zinc/72/51/24/1050725124.db2.gz KGZGDKUGHOSFIE-IERDGZPVSA-N 1 0 304.437 4.499 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741723846 1050731394 /nfs/dbraw/zinc/73/13/94/1050731394.db2.gz UAORFJDPCSREHC-UCMOUWFMSA-N 1 0 308.510 4.282 20 30 DIEDRO CCN(CC#Cc1ccc(C(F)(F)F)cc1)Cc1occc1C ZINC001171239612 1050736218 /nfs/dbraw/zinc/73/62/18/1050736218.db2.gz CRLZVKSTWGLGTC-UHFFFAOYSA-N 1 0 321.342 4.480 20 30 DIEDRO CCCCCCCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000772947700 1050738769 /nfs/dbraw/zinc/73/87/69/1050738769.db2.gz AYUFLJJHGLITLG-QUCCMNQESA-N 1 0 317.521 4.242 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000772952549 1050744600 /nfs/dbraw/zinc/74/46/00/1050744600.db2.gz HRBWFCLBXWKIDM-MRXNPFEDSA-N 1 0 304.503 4.247 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000596650398 1050764254 /nfs/dbraw/zinc/76/42/54/1050764254.db2.gz HWPVSLRVUBIVLU-RTWAWAEBSA-N 1 0 317.436 4.185 20 30 DIEDRO Cc1ccc(C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C(C)C)cc1 ZINC000772957717 1050774991 /nfs/dbraw/zinc/77/49/91/1050774991.db2.gz BJJYXMJIDRHQCX-NRFANRHFSA-N 1 0 322.452 4.254 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#N)cc1 ZINC000788978056 1050778391 /nfs/dbraw/zinc/77/83/91/1050778391.db2.gz NURKVNMGMCVLKX-IBGZPJMESA-N 1 0 306.409 4.079 20 30 DIEDRO N#CC1(c2ccc(C[N@H+](Cc3cccs3)C3CC3)cc2)CC1 ZINC000596980188 1050792261 /nfs/dbraw/zinc/79/22/61/1050792261.db2.gz VGLDALUUAAYREM-UHFFFAOYSA-N 1 0 308.450 4.468 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2COc3c2ccc(C)c3C)cc1 ZINC000772958253 1050792195 /nfs/dbraw/zinc/79/21/95/1050792195.db2.gz JAUDLPGCLVNMFK-OXJNMPFZSA-N 1 0 321.420 4.100 20 30 DIEDRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596978637 1050793017 /nfs/dbraw/zinc/79/30/17/1050793017.db2.gz BGKCZQXJHUCGMX-CQSZACIVSA-N 1 0 308.450 4.423 20 30 DIEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000772957829 1050796505 /nfs/dbraw/zinc/79/65/05/1050796505.db2.gz BSSRXRTYPVKWAV-MGPUTAFESA-N 1 0 306.409 4.236 20 30 DIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597027034 1050796614 /nfs/dbraw/zinc/79/66/14/1050796614.db2.gz LCYSRGZWBIEHQB-QZTJIDSGSA-N 1 0 314.498 4.348 20 30 DIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597027036 1050796671 /nfs/dbraw/zinc/79/66/71/1050796671.db2.gz LCYSRGZWBIEHQB-ZWKOTPCHSA-N 1 0 314.498 4.348 20 30 DIEDRO C[C@@]1(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1(Cl)Cl ZINC000847060779 1050804263 /nfs/dbraw/zinc/80/42/63/1050804263.db2.gz SDFJFKPYVXCSFK-AWEZNQCLSA-N 1 0 309.240 4.111 20 30 DIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](CC)CC#N ZINC000597086470 1050806281 /nfs/dbraw/zinc/80/62/81/1050806281.db2.gz LEZVABUHKZLIDB-LSDHHAIUSA-N 1 0 309.251 4.052 20 30 DIEDRO C[C@@H](C#N)C[NH2+][C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000597081461 1050806479 /nfs/dbraw/zinc/80/64/79/1050806479.db2.gz AGPAJVYNZVXBDN-VHSXEESVSA-N 1 0 304.743 4.039 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000772961144 1050808445 /nfs/dbraw/zinc/80/84/45/1050808445.db2.gz YVCIJHUUYUYNEV-SFTDATJTSA-N 1 0 320.436 4.323 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3C)cc1 ZINC000772961074 1050808469 /nfs/dbraw/zinc/80/84/69/1050808469.db2.gz YYHAPAPZZVSYRK-HRAATJIYSA-N 1 0 305.421 4.345 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc2ccccc2s1 ZINC000772961090 1050809431 /nfs/dbraw/zinc/80/94/31/1050809431.db2.gz ZZDAHOMOSVCXGA-CYBMUJFWSA-N 1 0 323.421 4.049 20 30 DIEDRO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H](C)c1cccnc1 ZINC000597132440 1050811137 /nfs/dbraw/zinc/81/11/37/1050811137.db2.gz HSGZLDAKDQCASL-MRXNPFEDSA-N 1 0 305.425 4.220 20 30 DIEDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597129897 1050811239 /nfs/dbraw/zinc/81/12/39/1050811239.db2.gz QCUANPOIWPQWPS-UHFFFAOYSA-N 1 0 319.452 4.091 20 30 DIEDRO CC[N@H+](CCOc1ccccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000060468618 1050814747 /nfs/dbraw/zinc/81/47/47/1050814747.db2.gz QJBSFQPGFUMXHT-INIZCTEOSA-N 1 0 324.424 4.029 20 30 DIEDRO CCn1c2ccccc2c2cc(C[NH+]3CC(CC#N)C3)ccc21 ZINC000597194544 1050816974 /nfs/dbraw/zinc/81/69/74/1050816974.db2.gz UZDAGHDNKVJLDF-UHFFFAOYSA-N 1 0 303.409 4.160 20 30 DIEDRO N#CC1(Nc2ccc(CF)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001171277360 1050820515 /nfs/dbraw/zinc/82/05/15/1050820515.db2.gz QYJAWGGZQIZWHF-UHFFFAOYSA-N 1 0 323.415 4.126 20 30 DIEDRO Cc1ncsc1-c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000597178181 1050820998 /nfs/dbraw/zinc/82/09/98/1050820998.db2.gz WCBIBPXWOQFVIF-HNNXBMFYSA-N 1 0 311.454 4.244 20 30 DIEDRO C#CC[C@H]([NH2+]CC[C@@H](C)OCc1ccccc1)c1ccccc1 ZINC000789361270 1050821733 /nfs/dbraw/zinc/82/17/33/1050821733.db2.gz GFZUCXFPTXMJPY-NQIIRXRSSA-N 1 0 307.437 4.336 20 30 DIEDRO C[C@H](C[N@@H+]1CCC[C@@H](CC#N)C1)c1cccc(Br)c1 ZINC000597176256 1050821976 /nfs/dbraw/zinc/82/19/76/1050821976.db2.gz GXTJABRHYHDTFB-KGLIPLIRSA-N 1 0 321.262 4.178 20 30 DIEDRO N#CCCCOc1cccc(C[NH+]2CCC(c3ccco3)CC2)c1 ZINC000597178328 1050822179 /nfs/dbraw/zinc/82/21/79/1050822179.db2.gz CLHKLEBRKXEXLX-UHFFFAOYSA-N 1 0 324.424 4.342 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000597229380 1050827838 /nfs/dbraw/zinc/82/78/38/1050827838.db2.gz SGNBEDLQOAHTQS-UHFFFAOYSA-N 1 0 312.457 4.176 20 30 DIEDRO CCCCCCC[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001170106225 1050828248 /nfs/dbraw/zinc/82/82/48/1050828248.db2.gz VHJWBBGAWRGTGK-UHFFFAOYSA-N 1 0 324.509 4.432 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc(C#N)cc1 ZINC000593323611 1050831272 /nfs/dbraw/zinc/83/12/72/1050831272.db2.gz RFIXQHRPSZFCQJ-DNVCBOLYSA-N 1 0 305.425 4.026 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc(C#N)cc1 ZINC000593323610 1050832818 /nfs/dbraw/zinc/83/28/18/1050832818.db2.gz RFIXQHRPSZFCQJ-BEFAXECRSA-N 1 0 305.425 4.026 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)o1 ZINC000742372395 1050835133 /nfs/dbraw/zinc/83/51/33/1050835133.db2.gz ZDCNVFUZGPPXKW-UHFFFAOYSA-N 1 0 319.389 4.041 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)cc1C#N ZINC000742377754 1050837798 /nfs/dbraw/zinc/83/77/98/1050837798.db2.gz HQDXDRQQRRPOIY-IBGZPJMESA-N 1 0 306.409 4.198 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000601967608 1050887078 /nfs/dbraw/zinc/88/70/78/1050887078.db2.gz HVADPQMSLNOGQL-BEFAXECRSA-N 1 0 313.420 4.480 20 30 DIEDRO CC[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccc(C#N)cc1 ZINC000602018452 1050890980 /nfs/dbraw/zinc/89/09/80/1050890980.db2.gz CDNQDWQWWYZLFJ-IEBWSBKVSA-N 1 0 305.425 4.198 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000772982259 1050893811 /nfs/dbraw/zinc/89/38/11/1050893811.db2.gz BIRWRVDMJLXFAJ-CEXWTWQISA-N 1 0 312.457 4.426 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)Cc2ccccc2C)c1 ZINC000772984201 1050904187 /nfs/dbraw/zinc/90/41/87/1050904187.db2.gz NJDQOGOYIMTUAW-YLJYHZDGSA-N 1 0 322.452 4.397 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000790056620 1050910160 /nfs/dbraw/zinc/91/01/60/1050910160.db2.gz WJIYKTZNRDAQQG-RBUKOAKNSA-N 1 0 320.436 4.187 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000772987903 1050925151 /nfs/dbraw/zinc/92/51/51/1050925151.db2.gz MJQCXOUBNWNSNJ-AWEZNQCLSA-N 1 0 311.450 4.100 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C1(C)CC1 ZINC000742725354 1050927062 /nfs/dbraw/zinc/92/70/62/1050927062.db2.gz NEKWXRDVZFRTEF-MRXNPFEDSA-N 1 0 320.436 4.415 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000772987968 1050928274 /nfs/dbraw/zinc/92/82/74/1050928274.db2.gz NJUHMKQZAJPUPE-INIZCTEOSA-N 1 0 316.404 4.098 20 30 DIEDRO C=C(C[NH2+]Cc1c(C)nn(CCCC)c1Cl)c1ccccc1 ZINC000742717604 1050930893 /nfs/dbraw/zinc/93/08/93/1050930893.db2.gz GBNUFVICZJSXTO-UHFFFAOYSA-N 1 0 317.864 4.448 20 30 DIEDRO CCCCCCCC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000790240194 1050931150 /nfs/dbraw/zinc/93/11/50/1050931150.db2.gz GROHYBTZIOIVJX-KRWDZBQOSA-N 1 0 318.461 4.371 20 30 DIEDRO COc1c(C)cc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1Cl ZINC000796693941 1050937607 /nfs/dbraw/zinc/93/76/07/1050937607.db2.gz HTXUDJZLIXWYKA-CYBMUJFWSA-N 1 0 314.816 4.380 20 30 DIEDRO COc1c(C)cc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1Cl ZINC000796693943 1050938217 /nfs/dbraw/zinc/93/82/17/1050938217.db2.gz HTXUDJZLIXWYKA-ZDUSSCGKSA-N 1 0 314.816 4.380 20 30 DIEDRO C=CCCC[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000790483209 1050962064 /nfs/dbraw/zinc/96/20/64/1050962064.db2.gz DKZIITFIDZPCDW-UHFFFAOYSA-N 1 0 310.441 4.333 20 30 DIEDRO C=CCCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000790483842 1050963626 /nfs/dbraw/zinc/96/36/26/1050963626.db2.gz KNNDWOCSHXDKPE-UHFFFAOYSA-N 1 0 307.800 4.029 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCSC2)cc1 ZINC000790497562 1050964129 /nfs/dbraw/zinc/96/41/29/1050964129.db2.gz NAZRCQMXUHQXSW-UONOGXRCSA-N 1 0 311.878 4.222 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCSC2)cc1 ZINC000790497560 1050965212 /nfs/dbraw/zinc/96/52/12/1050965212.db2.gz NAZRCQMXUHQXSW-KBPBESRZSA-N 1 0 311.878 4.222 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790600414 1050977016 /nfs/dbraw/zinc/97/70/16/1050977016.db2.gz BHOXNIHDJCWNKI-MRXNPFEDSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743261189 1051008026 /nfs/dbraw/zinc/00/80/26/1051008026.db2.gz KRCWVGHCKNRSIT-GOSISDBHSA-N 1 0 301.817 4.062 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001171368844 1051019808 /nfs/dbraw/zinc/01/98/08/1051019808.db2.gz JVLQWAXNJKIXOB-YJBOKZPZSA-N 1 0 323.440 4.244 20 30 DIEDRO C#CCSCC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000773011046 1051021599 /nfs/dbraw/zinc/02/15/99/1051021599.db2.gz RBGGANONKGIUAR-GFCCVEGCSA-N 1 0 315.454 4.061 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000773019639 1051024791 /nfs/dbraw/zinc/02/47/91/1051024791.db2.gz ZIWCFJPJSRKPGL-MJVIPROJSA-N 1 0 302.245 4.217 20 30 DIEDRO C#CCCCC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000773034720 1051030648 /nfs/dbraw/zinc/03/06/48/1051030648.db2.gz FUIIBFAQECTENP-WMZOPIPTSA-N 1 0 303.421 4.254 20 30 DIEDRO COc1cccc2cc(C[NH2+][C@H](C)c3cccc(C#N)c3)oc21 ZINC000743495497 1051039557 /nfs/dbraw/zinc/03/95/57/1051039557.db2.gz GOJVKGGFJBQVJD-CYBMUJFWSA-N 1 0 306.365 4.164 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1cnccc1/C=C/[NH+](C)C ZINC001171376084 1051046263 /nfs/dbraw/zinc/04/62/63/1051046263.db2.gz NHWONHITPBOOKS-BYIUCRAPSA-N 1 0 323.440 4.352 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)cc1C#N ZINC000773073447 1051051215 /nfs/dbraw/zinc/05/12/15/1051051215.db2.gz DBDPHCHEIAPCPN-INIZCTEOSA-N 1 0 308.425 4.343 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000791493741 1051052956 /nfs/dbraw/zinc/05/29/56/1051052956.db2.gz XVZXXCVDRGDEHY-GFCCVEGCSA-N 1 0 301.402 4.245 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(OC)cc1 ZINC000773077457 1051053404 /nfs/dbraw/zinc/05/34/04/1051053404.db2.gz RHVLDKWAVMXJCT-LJQANCHMSA-N 1 0 324.424 4.206 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000773103872 1051062422 /nfs/dbraw/zinc/06/24/22/1051062422.db2.gz CHSFUWRYRRFWKC-DNVCBOLYSA-N 1 0 308.381 4.318 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000773108226 1051065456 /nfs/dbraw/zinc/06/54/56/1051065456.db2.gz UFHPPRLTGFUZBK-QFBILLFUSA-N 1 0 322.408 4.270 20 30 DIEDRO C#CC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000773117238 1051066479 /nfs/dbraw/zinc/06/64/79/1051066479.db2.gz UJMZWBJEKKKKNS-COPCDDAFSA-N 1 0 324.512 4.384 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](CC)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000773117907 1051066695 /nfs/dbraw/zinc/06/66/95/1051066695.db2.gz YICULNZKTDLCMW-MOPGFXCFSA-N 1 0 321.420 4.263 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000773117319 1051067894 /nfs/dbraw/zinc/06/78/94/1051067894.db2.gz VHEFVZNEKGPWNC-PXNSSMCTSA-N 1 0 320.436 4.066 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000773117321 1051067912 /nfs/dbraw/zinc/06/79/12/1051067912.db2.gz VHEFVZNEKGPWNC-XLIONFOSSA-N 1 0 320.436 4.066 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)n1 ZINC000743842133 1051068510 /nfs/dbraw/zinc/06/85/10/1051068510.db2.gz DHVALKIHXZHOII-UHFFFAOYSA-N 1 0 313.832 4.265 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H]1CCCc2ccc(OC)cc21)c1ccccc1 ZINC000773114277 1051069303 /nfs/dbraw/zinc/06/93/03/1051069303.db2.gz HZKRPJNFLLAYAL-RTWAWAEBSA-N 1 0 305.421 4.427 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc2cccnc21 ZINC001171390116 1051076025 /nfs/dbraw/zinc/07/60/25/1051076025.db2.gz IAZSOCCZRKRVIL-HNNXBMFYSA-N 1 0 301.393 4.299 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743854962 1051076570 /nfs/dbraw/zinc/07/65/70/1051076570.db2.gz VMKUAAPLQBUKGH-YWZLYKJASA-N 1 0 324.399 4.311 20 30 DIEDRO CC[C@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743860897 1051078703 /nfs/dbraw/zinc/07/87/03/1051078703.db2.gz YVBBEYZOGAWQMM-QGZVFWFLSA-N 1 0 306.837 4.254 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743858149 1051079357 /nfs/dbraw/zinc/07/93/57/1051079357.db2.gz YQSWNFNTUUTSCQ-QRWLVFNGSA-N 1 0 324.399 4.311 20 30 DIEDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC000743872203 1051085599 /nfs/dbraw/zinc/08/55/99/1051085599.db2.gz QRSIZXCIHXJROS-HNAYVOBHSA-N 1 0 324.424 4.464 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000743864784 1051086429 /nfs/dbraw/zinc/08/64/29/1051086429.db2.gz RXEFDUVDRIHNRP-UHFFFAOYSA-N 1 0 304.821 4.008 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000743876369 1051089090 /nfs/dbraw/zinc/08/90/90/1051089090.db2.gz YXDRRWWHWCTDGW-APWZRJJASA-N 1 0 324.424 4.393 20 30 DIEDRO CC(C)(C)[NH+]1CCC(N=Nc2ncc(Cl)cc2Cl)CC1 ZINC000747045988 1051105598 /nfs/dbraw/zinc/10/55/98/1051105598.db2.gz QNWLHIVBTDIMGY-UHFFFAOYSA-N 1 0 315.248 4.051 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171420077 1051107780 /nfs/dbraw/zinc/10/77/80/1051107780.db2.gz YFDYCPVXRQKPDZ-GOSISDBHSA-N 1 0 308.400 4.099 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000037243098 1051130206 /nfs/dbraw/zinc/13/02/06/1051130206.db2.gz MGHZJAMMEGAZHV-ZDUSSCGKSA-N 1 0 300.789 4.093 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccc(C#N)cc1 ZINC001171447316 1051130608 /nfs/dbraw/zinc/13/06/08/1051130608.db2.gz BOTXPTZKMDEVOG-PXAZEXFGSA-N 1 0 312.363 4.045 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccc(C#N)cc1 ZINC001171447317 1051130816 /nfs/dbraw/zinc/13/08/16/1051130816.db2.gz BOTXPTZKMDEVOG-SJKOYZFVSA-N 1 0 312.363 4.045 20 30 DIEDRO C=C(C)CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792331509 1051135159 /nfs/dbraw/zinc/13/51/59/1051135159.db2.gz MTTKSHPMWRPRBR-UHFFFAOYSA-N 1 0 322.493 4.066 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC001171489937 1051143651 /nfs/dbraw/zinc/14/36/51/1051143651.db2.gz KMZWKVCMLGDIOO-KGLIPLIRSA-N 1 0 306.247 4.245 20 30 DIEDRO Fc1cc2c(c(F)c1F)C[C@H]([NH2+]CCCCCCS)CC2 ZINC001171522782 1051160095 /nfs/dbraw/zinc/16/00/95/1051160095.db2.gz DIKFGXCYOAVWEL-GFCCVEGCSA-N 1 0 317.420 4.041 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171588941 1051161856 /nfs/dbraw/zinc/16/18/56/1051161856.db2.gz JICIIHRBNMYUHZ-CVEARBPZSA-N 1 0 324.509 4.356 20 30 DIEDRO Cc1cccc2c1CC[C@@H]([N@H+](CCC#N)Cc1ccccc1)C2 ZINC001171564202 1051168794 /nfs/dbraw/zinc/16/87/94/1051168794.db2.gz VHPFZISRWSADIX-HXUWFJFHSA-N 1 0 304.437 4.268 20 30 DIEDRO C#CC1([NH2+]C2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001171646485 1051181285 /nfs/dbraw/zinc/18/12/85/1051181285.db2.gz AGDDCKBXGSDDBV-UHFFFAOYSA-N 1 0 318.258 4.231 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCc2cccnc2)CC1 ZINC001170361758 1051191064 /nfs/dbraw/zinc/19/10/64/1051191064.db2.gz DKBVPUYYDWWHPX-UHFFFAOYSA-N 1 0 319.452 4.008 20 30 DIEDRO CC(C)([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccncc1 ZINC001170365446 1051193193 /nfs/dbraw/zinc/19/31/93/1051193193.db2.gz ZBRMTJXMGAJCTH-UHFFFAOYSA-N 1 0 319.452 4.310 20 30 DIEDRO C=C(C)CNc1nc(C[NH+](CC)CC)nc2sc(C)c(C)c21 ZINC001155662008 1051193226 /nfs/dbraw/zinc/19/32/26/1051193226.db2.gz PIHBATYQIGCABI-UHFFFAOYSA-N 1 0 318.490 4.138 20 30 DIEDRO CC(C)([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccn1 ZINC001170365264 1051193655 /nfs/dbraw/zinc/19/36/55/1051193655.db2.gz SLRKRLIKPXTZDK-UHFFFAOYSA-N 1 0 319.452 4.310 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389604 1051195433 /nfs/dbraw/zinc/19/54/33/1051195433.db2.gz VLSQTKQVJGSJEW-HADQRDIHSA-N 1 0 319.452 4.157 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001170388997 1051195453 /nfs/dbraw/zinc/19/54/53/1051195453.db2.gz IYLMBKAREGJXIQ-DMKPSLHHSA-N 1 0 318.411 4.368 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC3(CCCO3)CC2)CC1 ZINC001170388871 1051195729 /nfs/dbraw/zinc/19/57/29/1051195729.db2.gz IFOVKCNMLUYZSF-UHFFFAOYSA-N 1 0 324.468 4.036 20 30 DIEDRO C[N@H+](CC1CC(F)(F)C1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389132 1051196041 /nfs/dbraw/zinc/19/60/41/1051196041.db2.gz LGMRYFZHJZOSQU-UHFFFAOYSA-N 1 0 318.411 4.368 20 30 DIEDRO C[C@@H]1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@H]1F ZINC001170379393 1051199021 /nfs/dbraw/zinc/19/90/21/1051199021.db2.gz WWONIVMBPUXTQA-ZTRSQXPZSA-N 1 0 300.421 4.070 20 30 DIEDRO C[C@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC1(F)F ZINC001170379236 1051199220 /nfs/dbraw/zinc/19/92/20/1051199220.db2.gz UTPJJZAJISVWBG-ZLPCBKJTSA-N 1 0 318.411 4.368 20 30 DIEDRO C[C@]1(F)CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1F ZINC001170379168 1051199857 /nfs/dbraw/zinc/19/98/57/1051199857.db2.gz RVYIJYVJSOETSG-YBXZHIRMSA-N 1 0 318.411 4.163 20 30 DIEDRO CC(C)C[N@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC000792927710 1051231873 /nfs/dbraw/zinc/23/18/73/1051231873.db2.gz RXIOIKVHHWKXIG-LSDHHAIUSA-N 1 0 308.853 4.288 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001171882252 1051235555 /nfs/dbraw/zinc/23/55/55/1051235555.db2.gz MPGKDZIZKRKKCL-UHFFFAOYSA-N 1 0 300.446 4.215 20 30 DIEDRO C=C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001171921200 1051237352 /nfs/dbraw/zinc/23/73/52/1051237352.db2.gz GBMNDXMEFVJIDL-DAWZGUTISA-N 1 0 315.457 4.404 20 30 DIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000747100738 1051240779 /nfs/dbraw/zinc/24/07/79/1051240779.db2.gz QHZFXMBMPURTRK-ROUUACIJSA-N 1 0 321.468 4.318 20 30 DIEDRO CCCCCCCC[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001171949758 1051241570 /nfs/dbraw/zinc/24/15/70/1051241570.db2.gz YUHYIMPZHZZGSJ-UHFFFAOYSA-N 1 0 324.509 4.336 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(S)CC1 ZINC001171969242 1051254679 /nfs/dbraw/zinc/25/46/79/1051254679.db2.gz ABNDRIVMHUTLEO-LLVKDONJSA-N 1 0 303.393 4.031 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C1CCC(C)(C(=O)OCC)CC1 ZINC001171957004 1051244486 /nfs/dbraw/zinc/24/44/86/1051244486.db2.gz XSXWIRGFWVOUGT-UHFFFAOYSA-N 1 0 315.457 4.187 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC#Cc1ccccc1 ZINC001171961178 1051245502 /nfs/dbraw/zinc/24/55/02/1051245502.db2.gz RJHOAJFJKVVAHS-OAHLLOKOSA-N 1 0 317.354 4.278 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1csc(C#N)c1 ZINC001171961716 1051246199 /nfs/dbraw/zinc/24/61/99/1051246199.db2.gz ATQQBYZGXNYTLW-LLVKDONJSA-N 1 0 324.371 4.359 20 30 DIEDRO CC1(C)[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C[C@H]1c1ccccc1 ZINC000766330566 1051250774 /nfs/dbraw/zinc/25/07/74/1051250774.db2.gz VABPRXLAAMZZLJ-HKUYNNGSSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001171971852 1051262222 /nfs/dbraw/zinc/26/22/22/1051262222.db2.gz APOJZACIVFSZEY-DZGCQCFKSA-N 1 0 310.363 4.262 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(C)CCC(C)CC2)cc1 ZINC000793290607 1051276529 /nfs/dbraw/zinc/27/65/29/1051276529.db2.gz ZLTBBRRNRMUQBN-KOHRHEQBSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)cc1 ZINC000793369114 1051289534 /nfs/dbraw/zinc/28/95/34/1051289534.db2.gz CIQKGVQMGKTURL-WBVHZDCISA-N 1 0 300.446 4.236 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC(C)(C)O1 ZINC000065424344 1051289813 /nfs/dbraw/zinc/28/98/13/1051289813.db2.gz GTGXPRSVVYAYHM-MRXNPFEDSA-N 1 0 320.436 4.225 20 30 DIEDRO CCCCCCCCCC[N@H+](C)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172187057 1051308036 /nfs/dbraw/zinc/30/80/36/1051308036.db2.gz VJWHTMCSYXPKRC-QZTJIDSGSA-N 1 0 308.510 4.212 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cnc(OC)c(Cl)c1)c1ccncc1 ZINC000793542946 1051314269 /nfs/dbraw/zinc/31/42/69/1051314269.db2.gz SGPMELSMZTVURR-BLLLJJGKSA-N 1 0 317.820 4.107 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000793558990 1051319119 /nfs/dbraw/zinc/31/91/19/1051319119.db2.gz XNICCGGRAQHNNZ-INIZCTEOSA-N 1 0 300.446 4.272 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2csc(C#N)c2)c1 ZINC001215725867 1051324184 /nfs/dbraw/zinc/32/41/84/1051324184.db2.gz PAALQNMUBGLWSB-UHFFFAOYSA-N 1 0 303.406 4.344 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2cc(F)cc(C#N)c2)c1 ZINC001215725784 1051324337 /nfs/dbraw/zinc/32/43/37/1051324337.db2.gz LIZWGFCFVRPTSQ-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C(C)(C)c2ccccc2)cc1 ZINC000793607704 1051325121 /nfs/dbraw/zinc/32/51/21/1051325121.db2.gz BYBKFKYEASLLQV-INIZCTEOSA-N 1 0 308.425 4.345 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2ccc(C#N)cc2F)c1 ZINC001215725975 1051325201 /nfs/dbraw/zinc/32/52/01/1051325201.db2.gz VBDUIJMZPNDXOZ-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001172306165 1051333324 /nfs/dbraw/zinc/33/33/24/1051333324.db2.gz IWRVLBNZQWXMSK-UZLBHIALSA-N 1 0 305.425 4.111 20 30 DIEDRO COc1cccc([C@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)C2CC2)c1 ZINC001172303948 1051334060 /nfs/dbraw/zinc/33/40/60/1051334060.db2.gz GSAUFMDIUYHZGE-QVKFZJNVSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001172303290 1051334217 /nfs/dbraw/zinc/33/42/17/1051334217.db2.gz WPOYWCGSEDGUBY-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001172306097 1051334384 /nfs/dbraw/zinc/33/43/84/1051334384.db2.gz WNNVIRBFUBJPCT-JXFKEZNVSA-N 1 0 304.437 4.199 20 30 DIEDRO C[NH2+]Cc1cn([C@@H](C)Cc2ccc(C#N)cc2)c2ccc(C)cc12 ZINC001172310671 1051335376 /nfs/dbraw/zinc/33/53/76/1051335376.db2.gz HHNDJWNYHXFLHI-INIZCTEOSA-N 1 0 317.436 4.345 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001172307628 1051335746 /nfs/dbraw/zinc/33/57/46/1051335746.db2.gz PHNVAZFYHFKJDX-HKOIMECGSA-N 1 0 308.469 4.390 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001172307939 1051336461 /nfs/dbraw/zinc/33/64/61/1051336461.db2.gz RFEJLRGRKQEVJX-QAPCUYQASA-N 1 0 308.400 4.118 20 30 DIEDRO CCCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746207378 1051336742 /nfs/dbraw/zinc/33/67/42/1051336742.db2.gz FUHYGHBFVJABJS-PKOBYXMFSA-N 1 0 320.521 4.212 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1F)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311937 1051338375 /nfs/dbraw/zinc/33/83/75/1051338375.db2.gz CNPYRYWNIMZMEB-AWEZNQCLSA-N 1 0 314.379 4.290 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172318457 1051339236 /nfs/dbraw/zinc/33/92/36/1051339236.db2.gz GEGDYHRFEIDQLD-IIBYNOLFSA-N 1 0 320.436 4.335 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172319524 1051339397 /nfs/dbraw/zinc/33/93/97/1051339397.db2.gz NUEFQXBQGCMXLQ-JKSUJKDBSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)CCc1cccc(Cl)c1 ZINC001172319345 1051339683 /nfs/dbraw/zinc/33/96/83/1051339683.db2.gz MZETXOAEIFVGNN-OAHLLOKOSA-N 1 0 312.844 4.317 20 30 DIEDRO C#CCOc1ccc(Nc2ccc(C[NH2+]CC(C)C)cc2)cc1 ZINC001215747088 1051340052 /nfs/dbraw/zinc/34/00/52/1051340052.db2.gz ZXYYZGKJYSOZJL-UHFFFAOYSA-N 1 0 308.425 4.188 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172320014 1051341180 /nfs/dbraw/zinc/34/11/80/1051341180.db2.gz SOGXHIAWOJKHFJ-HZPDHXFCSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)cc1Cl ZINC001172289716 1051347969 /nfs/dbraw/zinc/34/79/69/1051347969.db2.gz GPAGJLGQLYPXFB-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172289782 1051348133 /nfs/dbraw/zinc/34/81/33/1051348133.db2.gz HSFIKVYTDSEYPA-GJZGRUSLSA-N 1 0 303.409 4.336 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001172293762 1051349009 /nfs/dbraw/zinc/34/90/09/1051349009.db2.gz XMLMUGWGSHDRBQ-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccc(F)cc2F)CC1 ZINC001172296246 1051349636 /nfs/dbraw/zinc/34/96/36/1051349636.db2.gz GWHQBEBQQMEZAU-CYBMUJFWSA-N 1 0 312.363 4.046 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001172294291 1051349823 /nfs/dbraw/zinc/34/98/23/1051349823.db2.gz HGUUIMBDTVTYEC-UWTIGNOOSA-N 1 0 310.363 4.200 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(Cl)c(F)cc1F ZINC001172293137 1051350034 /nfs/dbraw/zinc/35/00/34/1051350034.db2.gz BPPVOGHNAXSREL-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001172294290 1051350044 /nfs/dbraw/zinc/35/00/44/1051350044.db2.gz HGUUIMBDTVTYEC-JQRITLKVSA-N 1 0 310.363 4.200 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001172298157 1051350856 /nfs/dbraw/zinc/35/08/56/1051350856.db2.gz FAGAKJXDYILTFL-BBRMVZONSA-N 1 0 304.384 4.047 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001172297323 1051351700 /nfs/dbraw/zinc/35/17/00/1051351700.db2.gz CVMNFXLEKCAZTI-XOBRGWDASA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001172299692 1051351309 /nfs/dbraw/zinc/35/13/09/1051351309.db2.gz MZVPSPWOALSBIV-MRXNPFEDSA-N 1 0 322.427 4.383 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H](C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC001172298553 1051351340 /nfs/dbraw/zinc/35/13/40/1051351340.db2.gz YMIDPBMOQLBKAI-YCRPNKLZSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC1CCC(F)(F)CC1 ZINC001172297053 1051351354 /nfs/dbraw/zinc/35/13/54/1051351354.db2.gz NGUMZYGBSOEQTR-AWEZNQCLSA-N 1 0 306.400 4.294 20 30 DIEDRO COc1ccc(C2([NH2+][C@H](C)Cc3ccc(C#N)cc3)CCC2)cc1 ZINC001172297589 1051351506 /nfs/dbraw/zinc/35/15/06/1051351506.db2.gz GKTMCFROEMMMMA-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2ccc(Cl)cc2C1 ZINC001172297080 1051351614 /nfs/dbraw/zinc/35/16/14/1051351614.db2.gz NISPTEQQNWEWQB-VBKZILBWSA-N 1 0 324.855 4.290 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC001172298552 1051351708 /nfs/dbraw/zinc/35/17/08/1051351708.db2.gz YMIDPBMOQLBKAI-QVKFZJNVSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(C)CCC(F)(F)CC1 ZINC001172300283 1051352765 /nfs/dbraw/zinc/35/27/65/1051352765.db2.gz UTSCGMUFVIZUGM-AWEZNQCLSA-N 1 0 306.400 4.294 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2cc(F)cc(F)c2C#N)cc1 ZINC001215764125 1051352570 /nfs/dbraw/zinc/35/25/70/1051352570.db2.gz ILYDQHFVQFTXSH-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(N)(c2cccnc2)CC1 ZINC001172350112 1051365857 /nfs/dbraw/zinc/36/58/57/1051365857.db2.gz JRYRNOJJFLHIQM-IBGZPJMESA-N 1 0 317.521 4.471 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000192085268 1051365887 /nfs/dbraw/zinc/36/58/87/1051365887.db2.gz WLMDKRHDOFMSCY-SFHVURJKSA-N 1 0 316.404 4.059 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000192085274 1051366780 /nfs/dbraw/zinc/36/67/80/1051366780.db2.gz WLMDKRHDOFMSCY-GOSISDBHSA-N 1 0 316.404 4.059 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001172352139 1051368861 /nfs/dbraw/zinc/36/88/61/1051368861.db2.gz ZCAOHSIAFPJIHI-DLBZAZTESA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(N2CCOC2=O)CC1 ZINC001172354338 1051370584 /nfs/dbraw/zinc/37/05/84/1051370584.db2.gz GRQCSXNTXFEXSL-INIZCTEOSA-N 1 0 310.482 4.042 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C[C@@H]1c2ccccc2NC1=O ZINC001172357217 1051372129 /nfs/dbraw/zinc/37/21/29/1051372129.db2.gz JLVIOTJSLUGUKF-DOTOQJQBSA-N 1 0 302.462 4.451 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(c2nncn2C)CC1 ZINC001172356389 1051372220 /nfs/dbraw/zinc/37/22/20/1051372220.db2.gz WEYFTPNDGQAWCT-KRWDZBQOSA-N 1 0 306.498 4.134 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001172357925 1051373134 /nfs/dbraw/zinc/37/31/34/1051373134.db2.gz NASJBLSORNEGPK-GJZGRUSLSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172362115 1051373893 /nfs/dbraw/zinc/37/38/93/1051373893.db2.gz SNAONYMLODRANX-RCCFBDPRSA-N 1 0 308.510 4.068 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001172479692 1051402213 /nfs/dbraw/zinc/40/22/13/1051402213.db2.gz JXXCVSABFUECEC-AWEZNQCLSA-N 1 0 317.433 4.206 20 30 DIEDRO CCCCCCOC(=O)CCCCC[NH2+][C@@H](C)CCCC#N ZINC001172487370 1051402226 /nfs/dbraw/zinc/40/22/26/1051402226.db2.gz HEKVIOLRVXWATK-KRWDZBQOSA-N 1 0 310.482 4.342 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1cc(Br)ccc1Cl ZINC001172479640 1051402411 /nfs/dbraw/zinc/40/24/11/1051402411.db2.gz NHKGMLVUQKXMBR-SNVBAGLBSA-N 1 0 315.642 4.274 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1cc(Br)ccc1Cl ZINC001172479631 1051402584 /nfs/dbraw/zinc/40/25/84/1051402584.db2.gz NHKGMLVUQKXMBR-JTQLQIEISA-N 1 0 315.642 4.274 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC001172483006 1051403556 /nfs/dbraw/zinc/40/35/56/1051403556.db2.gz BUEHUFTWEUGHSS-NSHDSACASA-N 1 0 310.323 4.039 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC001172485746 1051404189 /nfs/dbraw/zinc/40/41/89/1051404189.db2.gz UIBAPHZOSHWFDI-ZDUSSCGKSA-N 1 0 321.262 4.153 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](CC1CCOCC1)c1cccc(F)c1 ZINC001172486383 1051404432 /nfs/dbraw/zinc/40/44/32/1051404432.db2.gz DQDWJUGXRHPGJI-DNVCBOLYSA-N 1 0 318.436 4.355 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]CCc1cc(C(F)(F)F)ccc1F ZINC001172485057 1051404555 /nfs/dbraw/zinc/40/45/55/1051404555.db2.gz LHINOEVPRVBTCV-LLVKDONJSA-N 1 0 302.315 4.059 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC001172484920 1051404768 /nfs/dbraw/zinc/40/47/68/1051404768.db2.gz JQVFWGRLGCDNOT-IAQYHMDHSA-N 1 0 307.235 4.108 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]CCCc1ccccc1Br ZINC001172486682 1051404784 /nfs/dbraw/zinc/40/47/84/1051404784.db2.gz CSDXLLQDQNDAMC-CYBMUJFWSA-N 1 0 309.251 4.054 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2ccc(OCCC#N)cc2)CC1(C)C ZINC001170451900 1051406726 /nfs/dbraw/zinc/40/67/26/1051406726.db2.gz SPYHYAOMZWZZQK-UHFFFAOYSA-N 1 0 315.461 4.042 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](c1ccncc1C(F)(F)F)C1CC1 ZINC001172487787 1051416910 /nfs/dbraw/zinc/41/69/10/1051416910.db2.gz NJNYYJIZDKLXCO-XHDPSFHLSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(c2ccccc2Cl)CCOCC1 ZINC001172487797 1051417112 /nfs/dbraw/zinc/41/71/12/1051417112.db2.gz NNBCOSMVJDYSMT-CQSZACIVSA-N 1 0 306.837 4.018 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(Cc2cccc(Cl)c2)CCOCC1 ZINC001172490891 1051417835 /nfs/dbraw/zinc/41/78/35/1051417835.db2.gz BRNZMOXQABKSKK-OAHLLOKOSA-N 1 0 320.864 4.104 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](c1cccnc1C(F)(F)F)C1CC1 ZINC001172492544 1051418031 /nfs/dbraw/zinc/41/80/31/1051418031.db2.gz SMGUTKRHCWLMDC-RISCZKNCSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CC1)OCc1ccc(Cl)cc12 ZINC001172498396 1051418167 /nfs/dbraw/zinc/41/81/67/1051418167.db2.gz MJPVSPRPAGVIIY-AWEZNQCLSA-N 1 0 318.848 4.244 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](C)CCCC#N)cc1C(F)(F)F ZINC001172493852 1051418194 /nfs/dbraw/zinc/41/81/94/1051418194.db2.gz WCNWGKRYTAAPOP-LBPRGKRZSA-N 1 0 314.351 4.276 20 30 DIEDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H](C)CCCC#N ZINC001172492561 1051418216 /nfs/dbraw/zinc/41/82/16/1051418216.db2.gz SMTQNEGNKTZMHC-RDTXWAMCSA-N 1 0 300.446 4.304 20 30 DIEDRO C[C@H](CCCC#N)[NH+]1CCN(Cc2ccc3ccccc3c2)CC1 ZINC001172497318 1051418531 /nfs/dbraw/zinc/41/85/31/1051418531.db2.gz ATEHXUMBWHAAAY-GOSISDBHSA-N 1 0 321.468 4.040 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]CCOc1ccc(-c2ccccc2)cc1 ZINC001172490098 1051418791 /nfs/dbraw/zinc/41/87/91/1051418791.db2.gz VWFORVSQSKYNGU-KRWDZBQOSA-N 1 0 308.425 4.404 20 30 DIEDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H](C)CCCC#N ZINC001172492551 1051419070 /nfs/dbraw/zinc/41/90/70/1051419070.db2.gz SMTQNEGNKTZMHC-KBXCAEBGSA-N 1 0 300.446 4.304 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001172499325 1051420076 /nfs/dbraw/zinc/42/00/76/1051420076.db2.gz CWYLHOJUGARPIJ-WMLDXEAASA-N 1 0 306.837 4.266 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001172501265 1051420153 /nfs/dbraw/zinc/42/01/53/1051420153.db2.gz PTXRZTQRUBVXHT-DZGCQCFKSA-N 1 0 321.262 4.321 20 30 DIEDRO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2[C@H](C)CCCC#N)cc1 ZINC001172501596 1051420562 /nfs/dbraw/zinc/42/05/62/1051420562.db2.gz DSPRKTRHHRQUSG-QAPCUYQASA-N 1 0 314.429 4.083 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001172501779 1051420802 /nfs/dbraw/zinc/42/08/02/1051420802.db2.gz JZCPYQZRZYQJBD-QYZOEREBSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(c2ccncn2)C1 ZINC001172501928 1051420996 /nfs/dbraw/zinc/42/09/96/1051420996.db2.gz FVANYMHGCFRYEE-ZWKOTPCHSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001172502840 1051421993 /nfs/dbraw/zinc/42/19/93/1051421993.db2.gz MQEQYGNDUZZHSV-OALUTQOASA-N 1 0 324.553 4.359 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC001172503863 1051421952 /nfs/dbraw/zinc/42/19/52/1051421952.db2.gz TWAIPQPTXMVLJT-RBUKOAKNSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001172505019 1051421979 /nfs/dbraw/zinc/42/19/79/1051421979.db2.gz IULGBUOSMAJVBH-MRXNPFEDSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]CC1CCN(C(C)=O)CC1 ZINC001172502910 1051422028 /nfs/dbraw/zinc/42/20/28/1051422028.db2.gz UMECSUJLOWENMY-IBGZPJMESA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC001172504222 1051422217 /nfs/dbraw/zinc/42/22/17/1051422217.db2.gz DWSLPDQQHJJXKR-WOJBJXKFSA-N 1 0 324.553 4.312 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2cccc3[nH]cc(CC#N)c32)CC1(C)C ZINC001170451910 1051424308 /nfs/dbraw/zinc/42/43/08/1051424308.db2.gz SUIWHRVVUGELKZ-UHFFFAOYSA-N 1 0 324.472 4.297 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCN(c2ccncn2)C1 ZINC001172508468 1051426014 /nfs/dbraw/zinc/42/60/14/1051426014.db2.gz KLDWRILWCPRTPO-QZTJIDSGSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001172509126 1051426632 /nfs/dbraw/zinc/42/66/32/1051426632.db2.gz SZZKEEOZYUMJHP-IEBWSBKVSA-N 1 0 308.510 4.118 20 30 DIEDRO COc1cccc(C[C@H]2CCC[N@@H+]([C@@H](C)CCCC#N)C2)c1 ZINC001172508835 1051426661 /nfs/dbraw/zinc/42/66/61/1051426661.db2.gz HQNLLWUEYQRRQV-FUHWJXTLSA-N 1 0 300.446 4.032 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001172510443 1051426766 /nfs/dbraw/zinc/42/67/66/1051426766.db2.gz CBFVQJFJGYXLPQ-SFHVURJKSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCN(C2CCOCC2)CC1 ZINC001172510607 1051426923 /nfs/dbraw/zinc/42/69/23/1051426923.db2.gz GYSUPVBSWWFCNY-LJQANCHMSA-N 1 0 324.553 4.312 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001172509460 1051426931 /nfs/dbraw/zinc/42/69/31/1051426931.db2.gz LZCAQJFOLUNTCZ-LBPRGKRZSA-N 1 0 312.335 4.026 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172508834 1051427071 /nfs/dbraw/zinc/42/70/71/1051427071.db2.gz HQNLLWUEYQRRQV-AEFFLSMTSA-N 1 0 300.446 4.032 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000766450832 1051427787 /nfs/dbraw/zinc/42/77/87/1051427787.db2.gz LWKMCGZKJUJPGK-DZGCQCFKSA-N 1 0 311.878 4.364 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001172511198 1051428737 /nfs/dbraw/zinc/42/87/37/1051428737.db2.gz NTELZBLKSNPORX-GOSISDBHSA-N 1 0 308.510 4.070 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001172551815 1051435504 /nfs/dbraw/zinc/43/55/04/1051435504.db2.gz BVXVWVCXYJUGBO-UYAOXDASSA-N 1 0 302.421 4.473 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)cc1C#N ZINC000766485042 1051435693 /nfs/dbraw/zinc/43/56/93/1051435693.db2.gz CQNGWEIMTDCHOW-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO CCCCCCCCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804562118 1051460463 /nfs/dbraw/zinc/46/04/63/1051460463.db2.gz FKQDCEVHXRZWAV-JWTNVVGKSA-N 1 0 308.510 4.211 20 30 DIEDRO COC(=O)[C@@H]1CCC[C@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001172616038 1051461089 /nfs/dbraw/zinc/46/10/89/1051461089.db2.gz KETXKXSDENQDRB-AEFFLSMTSA-N 1 0 320.477 4.047 20 30 DIEDRO C=C(C)C[NH2+]C1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170457588 1051469885 /nfs/dbraw/zinc/46/98/85/1051469885.db2.gz CSEABQHUDUKWOY-HOTGVXAUSA-N 1 0 310.482 4.109 20 30 DIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC001168981104 1051477945 /nfs/dbraw/zinc/47/79/45/1051477945.db2.gz MQWMDYQSNPGIBG-OAHLLOKOSA-N 1 0 320.392 4.343 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1 ZINC000766568289 1051491301 /nfs/dbraw/zinc/49/13/01/1051491301.db2.gz OOOHDRUWGLITJW-XJKSGUPXSA-N 1 0 311.878 4.364 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H](C)CCC(=O)OC(C)C ZINC001172761920 1051499316 /nfs/dbraw/zinc/49/93/16/1051499316.db2.gz HLEZVNRXOGIRRS-QGZVFWFLSA-N 1 0 303.446 4.185 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H](C)CCC(=O)OC(C)C ZINC001172761914 1051499460 /nfs/dbraw/zinc/49/94/60/1051499460.db2.gz HLEZVNRXOGIRRS-KRWDZBQOSA-N 1 0 303.446 4.185 20 30 DIEDRO CCCCCCC[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172806882 1051507708 /nfs/dbraw/zinc/50/77/08/1051507708.db2.gz ZVTFNFPGQCYYLX-ALOPSCKCSA-N 1 0 322.493 4.253 20 30 DIEDRO CC1(C)C[C@H](Nc2nc3ccccc3cc2C#N)C[C@](C)(C[NH3+])C1 ZINC001169136030 1051527210 /nfs/dbraw/zinc/52/72/10/1051527210.db2.gz FATNEUGISBFGJC-JXFKEZNVSA-N 1 0 322.456 4.062 20 30 DIEDRO CC1(C)C[C@@H](Nc2nc3ccccc3cc2C#N)C[C@@](C)(C[NH3+])C1 ZINC001169136032 1051527647 /nfs/dbraw/zinc/52/76/47/1051527647.db2.gz FATNEUGISBFGJC-OXQOHEQNSA-N 1 0 322.456 4.062 20 30 DIEDRO Cc1ccc2c(c1)C[C@@H]([N@H+](CCC#N)Cc1ccccc1)CC2 ZINC001172839952 1051528780 /nfs/dbraw/zinc/52/87/80/1051528780.db2.gz YDNARMSPFWTKBU-NRFANRHFSA-N 1 0 304.437 4.268 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001172839953 1051528814 /nfs/dbraw/zinc/52/88/14/1051528814.db2.gz BFQQCFSABPJWOV-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO Cc1csc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1C#N ZINC001212686928 1051532179 /nfs/dbraw/zinc/53/21/79/1051532179.db2.gz RDXKCKNNMCJHFI-UHFFFAOYSA-N 1 0 311.454 4.481 20 30 DIEDRO CC1(C)C[C@H](Nc2ncc3ccccc3c2C#N)C[C@](C)(C[NH3+])C1 ZINC001169142201 1051532289 /nfs/dbraw/zinc/53/22/89/1051532289.db2.gz LRGKYRNXUVTTAU-YWZLYKJASA-N 1 0 322.456 4.062 20 30 DIEDRO C=CC[C@@H](C)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC001169154799 1051537212 /nfs/dbraw/zinc/53/72/12/1051537212.db2.gz YZEQJNAQCXNMEK-CYBMUJFWSA-N 1 0 324.262 4.257 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC#Cc1ccccc1 ZINC001172860769 1051547853 /nfs/dbraw/zinc/54/78/53/1051547853.db2.gz OOCYLYYOSJIHCL-AWEZNQCLSA-N 1 0 301.792 4.051 20 30 DIEDRO COc1ccc(C#N)c(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1 ZINC001212690692 1051552124 /nfs/dbraw/zinc/55/21/24/1051552124.db2.gz SIGXXSRISAWOLM-UHFFFAOYSA-N 1 0 321.424 4.120 20 30 DIEDRO C=CC[NH+]1CCC(N[C@@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000177908170 1051554572 /nfs/dbraw/zinc/55/45/72/1051554572.db2.gz YFKSCIRPKJQKQO-JTQLQIEISA-N 1 0 319.301 4.356 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]Cc1cc(C#N)co1 ZINC001172873351 1051558862 /nfs/dbraw/zinc/55/88/62/1051558862.db2.gz LIWVECDPZIMMPJ-LLVKDONJSA-N 1 0 306.818 4.075 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001172881229 1051564139 /nfs/dbraw/zinc/56/41/39/1051564139.db2.gz FPQKNPWSOHNWQZ-ZIAGYGMSSA-N 1 0 308.878 4.446 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001172881227 1051564798 /nfs/dbraw/zinc/56/47/98/1051564798.db2.gz FPQKNPWSOHNWQZ-KGLIPLIRSA-N 1 0 308.878 4.446 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001172883419 1051565536 /nfs/dbraw/zinc/56/55/36/1051565536.db2.gz UNJGUTBVPOUDAV-UONOGXRCSA-N 1 0 308.878 4.446 20 30 DIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCC(S)CC1 ZINC001172882485 1051565621 /nfs/dbraw/zinc/56/56/21/1051565621.db2.gz PVJKRQZUZJDPJL-LLVKDONJSA-N 1 0 301.908 4.215 20 30 DIEDRO C=C[C@@H]([NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001172962928 1051583478 /nfs/dbraw/zinc/58/34/78/1051583478.db2.gz HXSGJAXIEUSYCA-DOTOQJQBSA-N 1 0 318.461 4.149 20 30 DIEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCC2(CCOCC2)CC1 ZINC001173048495 1051594874 /nfs/dbraw/zinc/59/48/74/1051594874.db2.gz RCJPVCDMGMVOHH-OAQYLSRUSA-N 1 0 323.480 4.349 20 30 DIEDRO C=CC(NC(C)(C)c1cc(Cl)cc(Cl)c1)=[NH+]COC ZINC001169465115 1051625248 /nfs/dbraw/zinc/62/52/48/1051625248.db2.gz VIDGXPACRMITSF-UHFFFAOYSA-N 1 0 301.217 4.007 20 30 DIEDRO C[C@](C#N)(Nc1cccc2c1CC[C@H]2[NH3+])c1ccccc1Cl ZINC001169389328 1051605868 /nfs/dbraw/zinc/60/58/68/1051605868.db2.gz RHBADDOQAZLLJE-SJLPKXTDSA-N 1 0 311.816 4.137 20 30 DIEDRO N#Cc1ccccc1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198187 1051629055 /nfs/dbraw/zinc/62/90/55/1051629055.db2.gz PWDXULZHRPJEQX-UHFFFAOYSA-N 1 0 306.409 4.038 20 30 DIEDRO C#CCCC[NH2+][C@H](c1ccccc1Cl)c1ccccc1OC ZINC000766729376 1051629014 /nfs/dbraw/zinc/62/90/14/1051629014.db2.gz OSTVHAPIGVHRAR-LJQANCHMSA-N 1 0 313.828 4.441 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(Oc3ccccc3)CC2)cc1F ZINC001173199722 1051631664 /nfs/dbraw/zinc/63/16/64/1051631664.db2.gz IMMSQBBPUVAASH-UHFFFAOYSA-N 1 0 324.399 4.177 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2cccc(C(C)(C)C#N)c2)c1F ZINC001216232170 1051639055 /nfs/dbraw/zinc/63/90/55/1051639055.db2.gz WUBGNDLWYREBRZ-UHFFFAOYSA-N 1 0 311.404 4.432 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(C(C)(C)C#N)cc2)c1F ZINC001216231339 1051639110 /nfs/dbraw/zinc/63/91/10/1051639110.db2.gz GOJMKLPNBHHRFH-UHFFFAOYSA-N 1 0 311.404 4.432 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233321 1051640523 /nfs/dbraw/zinc/64/05/23/1051640523.db2.gz KXELSRKZHYIIEH-MRXNPFEDSA-N 1 0 310.397 4.214 20 30 DIEDRO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C#N)C1 ZINC001173208493 1051647260 /nfs/dbraw/zinc/64/72/60/1051647260.db2.gz AROCVYXENQQXQM-ROUUACIJSA-N 1 0 304.437 4.443 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H](CCCC)CC(C)C)C2)C1=O ZINC001173263269 1051662839 /nfs/dbraw/zinc/66/28/39/1051662839.db2.gz VNKSBDFINDCAMQ-AZUAARDMSA-N 1 0 320.521 4.092 20 30 DIEDRO C/C(=N\O)c1ccc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)cc1 ZINC001169688908 1051672998 /nfs/dbraw/zinc/67/29/98/1051672998.db2.gz AEEMDDWYSKPRHR-SXZORUHJSA-N 1 0 309.413 4.125 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000493962739 1051673082 /nfs/dbraw/zinc/67/30/82/1051673082.db2.gz WBNVXFBHWBGBNN-UZLBHIALSA-N 1 0 311.425 4.117 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169672766 1051677126 /nfs/dbraw/zinc/67/71/26/1051677126.db2.gz ROIQGIXDDOAKME-IAGOWNOFSA-N 1 0 312.498 4.336 20 30 DIEDRO COc1cc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)ccc1CC#N ZINC001169699397 1051678983 /nfs/dbraw/zinc/67/89/83/1051678983.db2.gz XPNYIAJFCDUAQW-SFHVURJKSA-N 1 0 321.424 4.001 20 30 DIEDRO COc1cc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)ccc1CC#N ZINC001169699396 1051679863 /nfs/dbraw/zinc/67/98/63/1051679863.db2.gz XPNYIAJFCDUAQW-GOSISDBHSA-N 1 0 321.424 4.001 20 30 DIEDRO CCCCCCCC[C@H](CCC)n1cc(C[NH3+])c(C)nc1=N ZINC001173310392 1051681260 /nfs/dbraw/zinc/68/12/60/1051681260.db2.gz UIVIYRZZBULTJG-KRWDZBQOSA-N 1 0 306.498 4.221 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CCC(C(=O)NC)CC1 ZINC001173308602 1051681554 /nfs/dbraw/zinc/68/15/54/1051681554.db2.gz BJFLBJPNICXAEH-GOSISDBHSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001173310104 1051681754 /nfs/dbraw/zinc/68/17/54/1051681754.db2.gz PUVCJGZDDYZYKX-IBGZPJMESA-N 1 0 322.537 4.460 20 30 DIEDRO C=CCOC1CCC(n2cc(CC[NH3+])c3cc(C)ccc32)CC1 ZINC001173311542 1051684197 /nfs/dbraw/zinc/68/41/97/1051684197.db2.gz LWVCZXVKQBCNBZ-UHFFFAOYSA-N 1 0 312.457 4.137 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CCNC(=O)C1 ZINC001173285168 1051688500 /nfs/dbraw/zinc/68/85/00/1051688500.db2.gz OUWIAXCYMFKVTB-ZWKOTPCHSA-N 1 0 310.526 4.412 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001173321138 1051692087 /nfs/dbraw/zinc/69/20/87/1051692087.db2.gz XNVSKAJXSTXBQH-QNGMFEMESA-N 1 0 313.485 4.455 20 30 DIEDRO N#CCC1CCC(N(CC[NH3+])c2cccc3ccccc32)CC1 ZINC001173324750 1051692263 /nfs/dbraw/zinc/69/22/63/1051692263.db2.gz VNNTYQJULCLZIF-UHFFFAOYSA-N 1 0 307.441 4.077 20 30 DIEDRO CCCC[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1O ZINC001169755162 1051692491 /nfs/dbraw/zinc/69/24/91/1051692491.db2.gz UVFRNSIWFDPWFF-UHFFFAOYSA-N 1 0 311.400 4.185 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001173327036 1051692718 /nfs/dbraw/zinc/69/27/18/1051692718.db2.gz BRKNZHZCGWNSCF-GTPINHCMSA-N 1 0 303.421 4.129 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC001169754101 1051692830 /nfs/dbraw/zinc/69/28/30/1051692830.db2.gz GBGCPNGDDZZDKW-OAHLLOKOSA-N 1 0 303.446 4.271 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC001169754100 1051692858 /nfs/dbraw/zinc/69/28/58/1051692858.db2.gz GBGCPNGDDZZDKW-HNNXBMFYSA-N 1 0 303.446 4.271 20 30 DIEDRO N#CCC1CCC([NH2+]CCCOc2ccc(Cl)cc2)CC1 ZINC001173325577 1051692961 /nfs/dbraw/zinc/69/29/61/1051692961.db2.gz KTDZAICDKASCMQ-UHFFFAOYSA-N 1 0 306.837 4.171 20 30 DIEDRO C=CCOC1CCC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001173323305 1051693163 /nfs/dbraw/zinc/69/31/63/1051693163.db2.gz UVGIGQDQSHZWMY-UHFFFAOYSA-N 1 0 324.468 4.251 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCc3c4ccccc4oc3C2)CC1 ZINC001173326393 1051693269 /nfs/dbraw/zinc/69/32/69/1051693269.db2.gz GLDNCPKZLZWLJL-UHFFFAOYSA-N 1 0 311.425 4.305 20 30 DIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CCC(CC#N)CC1 ZINC001173329811 1051695432 /nfs/dbraw/zinc/69/54/32/1051695432.db2.gz NPIPVAWQMCIHGZ-WWDZGPRUSA-N 1 0 300.446 4.133 20 30 DIEDRO Cc1cc(Br)cc(C[NH2+]C2CCC(CC#N)CC2)c1 ZINC001173328538 1051695596 /nfs/dbraw/zinc/69/55/96/1051695596.db2.gz DNAAEYIXZOCCGD-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO CCc1cc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)ccc1C#N ZINC001216316706 1051695870 /nfs/dbraw/zinc/69/58/70/1051695870.db2.gz MSTHHUFLBVKZTG-LJQANCHMSA-N 1 0 321.424 4.249 20 30 DIEDRO COc1cccc(CC2([NH2+]C3CCC(CC#N)CC3)CCC2)c1 ZINC001173333636 1051697483 /nfs/dbraw/zinc/69/74/83/1051697483.db2.gz OSEVNYSGPRDZBU-UHFFFAOYSA-N 1 0 312.457 4.222 20 30 DIEDRO N#CCC1CCC([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001173331940 1051697797 /nfs/dbraw/zinc/69/77/97/1051697797.db2.gz FWFYVTRLBPOZTN-QOJXUVEWSA-N 1 0 303.837 4.248 20 30 DIEDRO CC[N@H+](Cc1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc1)C(C)C ZINC000805914476 1051698679 /nfs/dbraw/zinc/69/86/79/1051698679.db2.gz KPSBVHJDEBKOHZ-QGZVFWFLSA-N 1 0 316.445 4.012 20 30 DIEDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)C1CCC(CC#N)CC1 ZINC001173339346 1051698800 /nfs/dbraw/zinc/69/88/00/1051698800.db2.gz FVNYXIFXEDMORX-NKELODKYSA-N 1 0 312.457 4.442 20 30 DIEDRO N#CCC1CCC([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173338829 1051698939 /nfs/dbraw/zinc/69/89/39/1051698939.db2.gz JDCFJQHHIWFWNS-IUPXNIOVSA-N 1 0 318.461 4.388 20 30 DIEDRO N#CCC1CCC([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001173339521 1051699502 /nfs/dbraw/zinc/69/95/02/1051699502.db2.gz QQELBSSGOGJROO-UHFFFAOYSA-N 1 0 312.457 4.140 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173341524 1051700938 /nfs/dbraw/zinc/70/09/38/1051700938.db2.gz YONKGEDIENZOFR-AVAKVYKDSA-N 1 0 312.457 4.347 20 30 DIEDRO N#CCC1CCC([NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001173341556 1051701300 /nfs/dbraw/zinc/70/13/00/1051701300.db2.gz ZPRSUXOVVJGOON-UHFFFAOYSA-N 1 0 322.452 4.079 20 30 DIEDRO C=CCOCC[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC001169791879 1051701771 /nfs/dbraw/zinc/70/17/71/1051701771.db2.gz OYJNJTQETOKUDN-MRXNPFEDSA-N 1 0 324.262 4.097 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001169791863 1051702139 /nfs/dbraw/zinc/70/21/39/1051702139.db2.gz OBSDXHJYAJHMRY-OALUTQOASA-N 1 0 311.510 4.397 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccnn1-c1ccccc1)c1ccccc1 ZINC000467335485 1051708098 /nfs/dbraw/zinc/70/80/98/1051708098.db2.gz KUIBTLGAVWZAAM-KRWDZBQOSA-N 1 0 303.409 4.236 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001173314549 1051708378 /nfs/dbraw/zinc/70/83/78/1051708378.db2.gz SISMGBFTVPVRSI-CQJJOKNBSA-N 1 0 315.457 4.010 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001173314709 1051709790 /nfs/dbraw/zinc/70/97/90/1051709790.db2.gz UJXSBTJUUCKRDS-ZGUYJTEBSA-N 1 0 305.849 4.299 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(c3ccc(OC)cc3)CCC2)CC1 ZINC001173315933 1051710675 /nfs/dbraw/zinc/71/06/75/1051710675.db2.gz CHIJYLQMSAIAOI-UHFFFAOYSA-N 1 0 315.457 4.178 20 30 DIEDRO C=CCOC1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC001173316711 1051710776 /nfs/dbraw/zinc/71/07/76/1051710776.db2.gz BZVPEVJGFREUSO-UHFFFAOYSA-N 1 0 319.411 4.459 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccc(F)c(Cl)c2F)CC1 ZINC001173316004 1051711285 /nfs/dbraw/zinc/71/12/85/1051711285.db2.gz VQVNOMKNBHBODA-UHFFFAOYSA-N 1 0 315.791 4.222 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC001173316309 1051711511 /nfs/dbraw/zinc/71/15/11/1051711511.db2.gz FOOSOSXQNSVTDY-UHFFFAOYSA-N 1 0 317.473 4.467 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H](c2cccc(F)c2)C2CC2)CC1 ZINC001173319114 1051713030 /nfs/dbraw/zinc/71/30/30/1051713030.db2.gz YTNPHLNAJKQDAN-ACBHZAAOSA-N 1 0 303.421 4.380 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001173319898 1051713221 /nfs/dbraw/zinc/71/32/21/1051713221.db2.gz AEEGJWINZIMYMT-QLOJAFMTSA-N 1 0 315.457 4.044 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001173319476 1051713244 /nfs/dbraw/zinc/71/32/44/1051713244.db2.gz JGVRYWSUUWNXDF-VMBOVVBDSA-N 1 0 321.848 4.267 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC001173319855 1051713864 /nfs/dbraw/zinc/71/38/64/1051713864.db2.gz YPIBVGOZBAQDFF-FVKWTLKZSA-N 1 0 307.384 4.056 20 30 DIEDRO CCCCCCCCCC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169856852 1051716735 /nfs/dbraw/zinc/71/67/35/1051716735.db2.gz FVIUXEXIKUEWGV-UHFFFAOYSA-N 1 0 317.539 4.073 20 30 DIEDRO C=C(C)C[N@@H+](CCOc1ccccc1OC)Cc1ccccc1 ZINC001169952519 1051736183 /nfs/dbraw/zinc/73/61/83/1051736183.db2.gz KGFFUXKTWXVVJW-UHFFFAOYSA-N 1 0 311.425 4.152 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806139011 1051738972 /nfs/dbraw/zinc/73/89/72/1051738972.db2.gz HAYJSPDKIURGAC-HNNXBMFYSA-N 1 0 314.816 4.077 20 30 DIEDRO C#CCCC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000766907008 1051739631 /nfs/dbraw/zinc/73/96/31/1051739631.db2.gz NOTPYVBJZMLDRP-SFHVURJKSA-N 1 0 315.363 4.380 20 30 DIEDRO C#CCCC[N@@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000766896411 1051739672 /nfs/dbraw/zinc/73/96/72/1051739672.db2.gz OAEDYQXLXYPWSY-UHFFFAOYSA-N 1 0 323.436 4.119 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806139012 1051740430 /nfs/dbraw/zinc/74/04/30/1051740430.db2.gz HAYJSPDKIURGAC-OAHLLOKOSA-N 1 0 314.816 4.077 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000806168164 1051743510 /nfs/dbraw/zinc/74/35/10/1051743510.db2.gz VWQLYBXONFQCAV-SFHVURJKSA-N 1 0 316.489 4.310 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806174796 1051746007 /nfs/dbraw/zinc/74/60/07/1051746007.db2.gz NSSYNVSZYITMSH-HUUCEWRRSA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806174442 1051746597 /nfs/dbraw/zinc/74/65/97/1051746597.db2.gz JANHPCALJINADQ-JKSUJKDBSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000806174943 1051746939 /nfs/dbraw/zinc/74/69/39/1051746939.db2.gz QLHFLZUCMPLEED-HOTGVXAUSA-N 1 0 313.363 4.073 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](CCO)c2cccc3ccccc32)CC1 ZINC001173588329 1051754808 /nfs/dbraw/zinc/75/48/08/1051754808.db2.gz BFGGMNPJHGHLSX-TWMPVWRBSA-N 1 0 322.452 4.325 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccccc2-c2cccnc2)CC1 ZINC001173589266 1051755399 /nfs/dbraw/zinc/75/53/99/1051755399.db2.gz ZGDOCCRTQGYAQT-UHFFFAOYSA-N 1 0 305.425 4.311 20 30 DIEDRO COc1cccc(CC(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC001173591922 1051755903 /nfs/dbraw/zinc/75/59/03/1051755903.db2.gz YIAFCBKXGPSWPC-UHFFFAOYSA-N 1 0 314.473 4.326 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(-c3nccs3)cc2)CC1 ZINC001173588165 1051756176 /nfs/dbraw/zinc/75/61/76/1051756176.db2.gz BFPBXDQHDDPKFJ-UHFFFAOYSA-N 1 0 311.454 4.372 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001173593024 1051757437 /nfs/dbraw/zinc/75/74/37/1051757437.db2.gz GLOHMALQBXNWCS-UHFFFAOYSA-N 1 0 313.376 4.043 20 30 DIEDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173601420 1051760200 /nfs/dbraw/zinc/76/02/00/1051760200.db2.gz SUENOTCYXLYIGO-QPIRBTGLSA-N 1 0 312.457 4.442 20 30 DIEDRO C#CCCC[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173701412 1051783229 /nfs/dbraw/zinc/78/32/29/1051783229.db2.gz YWDZANQNDDFSLM-OAQYLSRUSA-N 1 0 319.448 4.126 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000185811179 1051786984 /nfs/dbraw/zinc/78/69/84/1051786984.db2.gz DAHACJGFWPKJPO-BBRMVZONSA-N 1 0 322.374 4.409 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000185847287 1051787147 /nfs/dbraw/zinc/78/71/47/1051787147.db2.gz QDILZDHAFKSWID-GWCFXTLKSA-N 1 0 314.763 4.113 20 30 DIEDRO FC(F)(F)C1CCC(C=[NH+]n2cnnc2-c2ccccc2)CC1 ZINC000767361693 1051793667 /nfs/dbraw/zinc/79/36/67/1051793667.db2.gz QEHMCKLJMMAZFU-UHFFFAOYSA-N 1 0 322.334 4.148 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001168463689 1051814326 /nfs/dbraw/zinc/81/43/26/1051814326.db2.gz BHDXFSXOQBZDOT-ZDUSSCGKSA-N 1 0 322.383 4.021 20 30 DIEDRO N#Cc1ccc(Nc2c[nH+]cn2Cc2ccccc2)c(Cl)c1 ZINC001216552684 1051815165 /nfs/dbraw/zinc/81/51/65/1051815165.db2.gz XIXKHWLRPGAZPR-UHFFFAOYSA-N 1 0 308.772 4.200 20 30 DIEDRO N#Cc1cc(Cl)ccc1Nc1c[nH+]cn1Cc1ccccc1 ZINC001216553528 1051816253 /nfs/dbraw/zinc/81/62/53/1051816253.db2.gz DRAJNAGFEPUFRO-UHFFFAOYSA-N 1 0 308.772 4.200 20 30 DIEDRO CCCCCCC[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000741776846 1051817471 /nfs/dbraw/zinc/81/74/71/1051817471.db2.gz ALKQBTTVRJOQLO-UHFFFAOYSA-N 1 0 318.461 4.013 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000404103128 1051821751 /nfs/dbraw/zinc/82/17/51/1051821751.db2.gz XDGOMDDCOJCVDI-HNNXBMFYSA-N 1 0 308.400 4.498 20 30 DIEDRO C=CCC[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000186636025 1051825431 /nfs/dbraw/zinc/82/54/31/1051825431.db2.gz ROKDBEZLZPAIIL-FQEVSTJZSA-N 1 0 322.452 4.437 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)O[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768010171 1051871972 /nfs/dbraw/zinc/87/19/72/1051871972.db2.gz KZNYLDPFUYABQE-YQVWRLOYSA-N 1 0 315.457 4.043 20 30 DIEDRO C#CC[N@H+](Cc1cncc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000768129982 1051887838 /nfs/dbraw/zinc/88/78/38/1051887838.db2.gz MBQFKABBXOSCIS-JOCHJYFZSA-N 1 0 312.416 4.358 20 30 DIEDRO Cc1ccccc1NC(=[NH2+])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000185954762 1051888603 /nfs/dbraw/zinc/88/86/03/1051888603.db2.gz UUBWZNQVNXIVCN-AWEZNQCLSA-N 1 0 321.346 4.068 20 30 DIEDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000768208881 1051897410 /nfs/dbraw/zinc/89/74/10/1051897410.db2.gz VSWRKMIPFCMGBC-UHFFFAOYSA-N 1 0 313.470 4.098 20 30 DIEDRO CCN(CC)c1ccc(C[N@H+](C)CC(C)(C)CCC#N)cc1 ZINC000768212441 1051903063 /nfs/dbraw/zinc/90/30/63/1051903063.db2.gz JDSVGWXKSSOOIH-UHFFFAOYSA-N 1 0 301.478 4.295 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1cc(C(F)(F)F)ccc1C#N ZINC001173932676 1051904896 /nfs/dbraw/zinc/90/48/96/1051904896.db2.gz VXVBGZLFJBSHIE-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000768225261 1051904963 /nfs/dbraw/zinc/90/49/63/1051904963.db2.gz GDIUOKPNIUAUHA-QRWLVFNGSA-N 1 0 324.399 4.454 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494546889 1051917329 /nfs/dbraw/zinc/91/73/29/1051917329.db2.gz KOSSKSGQOXCDEV-CYBMUJFWSA-N 1 0 323.362 4.004 20 30 DIEDRO CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(O)c1 ZINC000768334222 1051919468 /nfs/dbraw/zinc/91/94/68/1051919468.db2.gz NXEYRVXSZJHART-UHFFFAOYSA-N 1 0 324.424 4.073 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)s1)Cc1ccc(N(C)C)cc1 ZINC000768352659 1051920719 /nfs/dbraw/zinc/92/07/19/1051920719.db2.gz QVQBNOCOHFLPLV-UHFFFAOYSA-N 1 0 313.470 4.096 20 30 DIEDRO CC(C)[N@H+](Cc1cc(C#N)cs1)Cc1ccc(N(C)C)cc1 ZINC000768358472 1051923070 /nfs/dbraw/zinc/92/30/70/1051923070.db2.gz WYKOWUBOZLVNID-UHFFFAOYSA-N 1 0 313.470 4.096 20 30 DIEDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000768512510 1051936612 /nfs/dbraw/zinc/93/66/12/1051936612.db2.gz IWKVTCVJGJQWLF-INIZCTEOSA-N 1 0 308.425 4.464 20 30 DIEDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768530008 1051940930 /nfs/dbraw/zinc/94/09/30/1051940930.db2.gz BVUUHCCCCHHJHP-OXQOHEQNSA-N 1 0 320.436 4.314 20 30 DIEDRO C=CC[N@H+](Cc1cn(C)nc1-c1cc2ccccc2o1)C(C)C ZINC000768547990 1051944791 /nfs/dbraw/zinc/94/47/91/1051944791.db2.gz UWSYDMPIYHMMDR-UHFFFAOYSA-N 1 0 309.413 4.230 20 30 DIEDRO C=CC[N@H+](CC1=Cc2cc(Br)ccc2OC1)C(C)C ZINC000768547086 1051945271 /nfs/dbraw/zinc/94/52/71/1051945271.db2.gz HYNOGMBBKNBQRK-UHFFFAOYSA-N 1 0 322.246 4.121 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)C(C)C ZINC000768547398 1051945658 /nfs/dbraw/zinc/94/56/58/1051945658.db2.gz KSTVWSUHPOHCAI-UHFFFAOYSA-N 1 0 317.351 4.033 20 30 DIEDRO C=CCCC[N@@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768543966 1051945722 /nfs/dbraw/zinc/94/57/22/1051945722.db2.gz YBYFYOCZQQGMKE-UHFFFAOYSA-N 1 0 310.482 4.064 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)c1 ZINC000768598085 1051947602 /nfs/dbraw/zinc/94/76/02/1051947602.db2.gz OIJVAAPLXUVECT-LZLYRXPVSA-N 1 0 300.446 4.283 20 30 DIEDRO C#Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000768662944 1051951787 /nfs/dbraw/zinc/95/17/87/1051951787.db2.gz DWSDMZLVIQMFGS-UWJYYQICSA-N 1 0 304.437 4.133 20 30 DIEDRO C=CCCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC001170538964 1051959064 /nfs/dbraw/zinc/95/90/64/1051959064.db2.gz RHAGZKFNORSXPZ-XJKSGUPXSA-N 1 0 313.363 4.433 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191562931 1051978458 /nfs/dbraw/zinc/97/84/58/1051978458.db2.gz HPRXISNMFSBOSZ-ZFWWWQNUSA-N 1 0 315.417 4.141 20 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/nfs/dbraw/zinc/00/72/42/1052007242.db2.gz AKHNCBKPDMVIMH-UHFFFAOYSA-N 1 0 316.489 4.476 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C12CCCCC2 ZINC001170005304 1052026626 /nfs/dbraw/zinc/02/66/26/1052026626.db2.gz VNSWHBYROBVXTN-AYOQOUSVSA-N 1 0 312.457 4.337 20 30 DIEDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000769341458 1052028253 /nfs/dbraw/zinc/02/82/53/1052028253.db2.gz ZWCBKBPTECHRJO-HRCADAONSA-N 1 0 300.446 4.376 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000769379141 1052035057 /nfs/dbraw/zinc/03/50/57/1052035057.db2.gz JPTJAIAEIDKLRG-RDJZCZTQSA-N 1 0 324.399 4.106 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000193353303 1052041108 /nfs/dbraw/zinc/04/11/08/1052041108.db2.gz HFBUSNPBUFKEKO-OUCADQQQSA-N 1 0 312.335 4.318 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769427501 1052048291 /nfs/dbraw/zinc/04/82/91/1052048291.db2.gz MEXRGDIKYDBWPG-HRAATJIYSA-N 1 0 320.436 4.487 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000769428990 1052048351 /nfs/dbraw/zinc/04/83/51/1052048351.db2.gz XWQQBKZDAFXVHL-NRFANRHFSA-N 1 0 323.484 4.359 20 30 DIEDRO C=CC(C)(C)CCNC(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC001131400434 1052055610 /nfs/dbraw/zinc/05/56/10/1052055610.db2.gz AZAUDNWZSUBYQF-UHFFFAOYSA-N 1 0 316.489 4.251 20 30 DIEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769466160 1052060070 /nfs/dbraw/zinc/06/00/70/1052060070.db2.gz IIPNYDAJJALVCO-FCEWJHQRSA-N 1 0 300.446 4.378 20 30 DIEDRO C#CC[N@H+](Cc1cccc(OCc2ccccn2)c1)C1CCCC1 ZINC000769532792 1052075981 /nfs/dbraw/zinc/07/59/81/1052075981.db2.gz XNOGFCKMTALEII-UHFFFAOYSA-N 1 0 320.436 4.038 20 30 DIEDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769536609 1052077093 /nfs/dbraw/zinc/07/70/93/1052077093.db2.gz BXCXUXSQCHUEQT-SJLPKXTDSA-N 1 0 300.446 4.378 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@H]1c1ccccc1 ZINC000769539764 1052078734 /nfs/dbraw/zinc/07/87/34/1052078734.db2.gz MQDOJRILNLXHTF-LAUBAEHRSA-N 1 0 319.452 4.229 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)[C@H](O)c1ccccc1 ZINC000808721997 1052080020 /nfs/dbraw/zinc/08/00/20/1052080020.db2.gz XDKIMXZEMVWPML-RVHYNSKXSA-N 1 0 320.436 4.037 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000769748103 1052106746 /nfs/dbraw/zinc/10/67/46/1052106746.db2.gz WOISYBUOFMLNPX-RTBURBONSA-N 1 0 314.473 4.295 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC3(CC2)OCc2ccccc23)CCC1 ZINC000929833237 1052115627 /nfs/dbraw/zinc/11/56/27/1052115627.db2.gz WSPDPFDRIXOAFS-UHFFFAOYSA-N 1 0 324.468 4.372 20 30 DIEDRO N#CCc1cc(NC2=CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC001174394914 1052118321 /nfs/dbraw/zinc/11/83/21/1052118321.db2.gz VSQNAGJMZPDLOW-UHFFFAOYSA-N 1 0 321.399 4.093 20 30 DIEDRO CC(C)[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC1CCC1 ZINC000769928617 1052131982 /nfs/dbraw/zinc/13/19/82/1052131982.db2.gz SSVSIXGQOCJVSG-UHFFFAOYSA-N 1 0 306.837 4.253 20 30 DIEDRO C[C@H]1C[NH2+]CCC[C@@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217778252 1052139639 /nfs/dbraw/zinc/13/96/39/1052139639.db2.gz KZILYBPCBMXVQB-ZMOLMKESSA-N 1 0 308.425 4.170 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000770006599 1052140526 /nfs/dbraw/zinc/14/05/26/1052140526.db2.gz YNDIRZLFIIXILK-NRUUGDAUSA-N 1 0 311.212 4.099 20 30 DIEDRO CCCCCCCCCCCCO[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001217799828 1052145036 /nfs/dbraw/zinc/14/50/36/1052145036.db2.gz JVQSVRMAVDXNLH-SFHVURJKSA-N 1 0 311.510 4.445 20 30 DIEDRO C[Si](C)(C)C#C[C@H](OCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217833522 1052151489 /nfs/dbraw/zinc/15/14/89/1052151489.db2.gz OUJNITFSQUFXAE-HKUYNNGSSA-N 1 0 315.533 4.015 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](OCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217833538 1052152197 /nfs/dbraw/zinc/15/21/97/1052152197.db2.gz OUJNITFSQUFXAE-PKOBYXMFSA-N 1 0 315.533 4.015 20 30 DIEDRO CC1(C)C[NH2+]CC[C@@H]1O/C(=N/c1ccccc1)c1ccccc1 ZINC001217878870 1052161089 /nfs/dbraw/zinc/16/10/89/1052161089.db2.gz MOCNNXZRJYOZSW-LOFJQREMSA-N 1 0 308.425 4.170 20 30 DIEDRO c1ccc(/N=C(/O[C@@H]2CC[NH2+]C3(CCC3)C2)c2ccccc2)cc1 ZINC001217876076 1052161300 /nfs/dbraw/zinc/16/13/00/1052161300.db2.gz ZHCSVRSQZDCDIN-VKQKAZQBSA-N 1 0 320.436 4.456 20 30 DIEDRO C=C[C@@H](CCCCCCC)OC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217883858 1052162587 /nfs/dbraw/zinc/16/25/87/1052162587.db2.gz IXXIRQWWWOBUHJ-ZWKOTPCHSA-N 1 0 309.494 4.077 20 30 DIEDRO C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](OCC(C)(C)C[NH3+])[C@@H]12 ZINC001217883983 1052163398 /nfs/dbraw/zinc/16/33/98/1052163398.db2.gz LEPQNQYTVXCPPG-AMIPBCHBSA-N 1 0 315.457 4.015 20 30 DIEDRO C=C[C@H](CCCCCC)OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217896470 1052165843 /nfs/dbraw/zinc/16/58/43/1052165843.db2.gz RLFIFJKQMHYOQN-MSOLQXFVSA-N 1 0 309.494 4.077 20 30 DIEDRO CCCCCCCCC[C@H](C)OC[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001217897164 1052168120 /nfs/dbraw/zinc/16/81/20/1052168120.db2.gz NNWGPIUOSDQNBP-OKYOBFRVSA-N 1 0 311.510 4.299 20 30 DIEDRO [NH3+]CCCCCCO[C@@H](C#Cc1ccccc1)c1ccccc1 ZINC001217926587 1052172563 /nfs/dbraw/zinc/17/25/63/1052172563.db2.gz BSKXNUSXBREXKR-NRFANRHFSA-N 1 0 307.437 4.315 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCc1c(OC)ccc2ccccc21 ZINC001217927289 1052172606 /nfs/dbraw/zinc/17/26/06/1052172606.db2.gz QJTLVZXJMDSNNC-UYAOXDASSA-N 1 0 311.425 4.062 20 30 DIEDRO CC1(C)C[C@H](OCc2ccc(-c3ccccc3C#N)cc2)CC[NH2+]1 ZINC001217936471 1052173573 /nfs/dbraw/zinc/17/35/73/1052173573.db2.gz NYSNEIPENHCVJR-LJQANCHMSA-N 1 0 320.436 4.272 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCCCCCOCc1ccccc1 ZINC001217933792 1052173824 /nfs/dbraw/zinc/17/38/24/1052173824.db2.gz OAFILNHHSOWISN-WOJBJXKFSA-N 1 0 317.473 4.087 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2CCCC[NH2+]C2)cc1 ZINC001217971129 1052178256 /nfs/dbraw/zinc/17/82/56/1052178256.db2.gz RYBIUULJBVICRF-GOSISDBHSA-N 1 0 312.388 4.097 20 30 DIEDRO O=C(/C=C\c1ccccc1)c1ccc(O[C@@H]2CCCC[NH2+]C2)cc1 ZINC001217970551 1052178600 /nfs/dbraw/zinc/17/86/00/1052178600.db2.gz NPEQZVBATSNOOH-KRBJHKROSA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001168474228 1052182220 /nfs/dbraw/zinc/18/22/20/1052182220.db2.gz QCUHQTLSNVNXTN-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO O=C(/C=C/c1ccc(O[C@H]2CCC[NH2+]CC2)cc1)c1ccccc1 ZINC001217996223 1052182558 /nfs/dbraw/zinc/18/25/58/1052182558.db2.gz XPIIADQVGPAWGV-QHSLDKKCSA-N 1 0 321.420 4.104 20 30 DIEDRO CC(C)(C)c1cc(CC#N)cc(C(C)(C)C)c1O[C@@H]1CC[NH2+]C1 ZINC001218038844 1052188412 /nfs/dbraw/zinc/18/84/12/1052188412.db2.gz ZTKJMHSYJNNJMF-OAHLLOKOSA-N 1 0 314.473 4.088 20 30 DIEDRO C[C@@H]1C[C@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001218055736 1052190692 /nfs/dbraw/zinc/19/06/92/1052190692.db2.gz JGCOMYQBTQBBGL-QQULQPRVSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]1C[C@@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)CC[NH2+]1 ZINC001218062769 1052190980 /nfs/dbraw/zinc/19/09/80/1052190980.db2.gz WHNYSMVKVQFZPA-ACUKPUEBSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@H]1C[C@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)CC[NH2+]1 ZINC001218060232 1052191437 /nfs/dbraw/zinc/19/14/37/1052191437.db2.gz MIIHUOQVAYVGOR-XVWPZIMESA-N 1 0 312.388 4.096 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(OC3CC4(C3)CC[NH2+]C4)cc2)cc1 ZINC001218064368 1052192789 /nfs/dbraw/zinc/19/27/89/1052192789.db2.gz WUHDFUZFALISQF-YDZHTSKRSA-N 1 0 324.399 4.097 20 30 DIEDRO C[C@@H]1C[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)CC[NH2+]1 ZINC001218062771 1052192910 /nfs/dbraw/zinc/19/29/10/1052192910.db2.gz WHNYSMVKVQFZPA-DCOXSSOYSA-N 1 0 321.420 4.102 20 30 DIEDRO N#Cc1ccc(-c2ccc(OC3CC4(C3)CC[NH2+]CC4)cc2)cc1 ZINC001218102396 1052197813 /nfs/dbraw/zinc/19/78/13/1052197813.db2.gz KKGMZEZMVKUVOI-UHFFFAOYSA-N 1 0 318.420 4.136 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@H]2CC[C@@]23CC[NH2+]C3)cc1 ZINC001218116507 1052198914 /nfs/dbraw/zinc/19/89/14/1052198914.db2.gz KJVJXPYRMVXEBS-PMACEKPBSA-N 1 0 324.399 4.097 20 30 DIEDRO C[Si](C)(C)C#C[C@H](Oc1ccc(C[NH3+])cc1)c1ccccc1 ZINC001218214194 1052208013 /nfs/dbraw/zinc/20/80/13/1052208013.db2.gz LTJJJYURGYJFPN-IBGZPJMESA-N 1 0 309.485 4.146 20 30 DIEDRO C[Si](C)(C)C#C[C@H](Oc1cccc2c1C[NH2+]C2)c1ccccc1 ZINC001218214421 1052208087 /nfs/dbraw/zinc/20/80/87/1052208087.db2.gz NRLMDJGZCHMCMC-IBGZPJMESA-N 1 0 321.496 4.291 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@H]2CCC3(C[NH2+]C3)C2)cc1 ZINC001218240002 1052211993 /nfs/dbraw/zinc/21/19/93/1052211993.db2.gz XZBFIDQOKGIYAM-SFHVURJKSA-N 1 0 324.399 4.097 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)cc2)cc1 ZINC001218251194 1052212720 /nfs/dbraw/zinc/21/27/20/1052212720.db2.gz RANGJUZFPMXDMQ-ZHYVTWRVSA-N 1 0 324.399 4.096 20 30 DIEDRO CC(C)C[N@H+](C/C=C/c1ccncc1)Cc1ccc(C#N)cc1 ZINC000495092069 1052212810 /nfs/dbraw/zinc/21/28/10/1052212810.db2.gz LJCOVTJTWBDQJJ-ONEGZZNKSA-N 1 0 305.425 4.125 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Oc1ccc2c(c1C)CC[NH2+]C2 ZINC001218349189 1052229436 /nfs/dbraw/zinc/22/94/36/1052229436.db2.gz ZIYOSTFAAYWVGR-INIZCTEOSA-N 1 0 323.436 4.346 20 30 DIEDRO C[C@H]1CC[C@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)C[NH2+]1 ZINC001218396317 1052233478 /nfs/dbraw/zinc/23/34/78/1052233478.db2.gz AKBYSHPLEXSVJF-MHIBTWIVSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]1CC[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C[NH2+]1 ZINC001218409140 1052236100 /nfs/dbraw/zinc/23/61/00/1052236100.db2.gz WZAMEKXPEJYTRI-WIWPOMNDSA-N 1 0 321.420 4.102 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000130559640 1052237759 /nfs/dbraw/zinc/23/77/59/1052237759.db2.gz RVAYFIYZAQHWAR-ACJLOTCBSA-N 1 0 314.816 4.077 20 30 DIEDRO C=CC[C@@H](Oc1ccc2c(n1)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC001218443096 1052239719 /nfs/dbraw/zinc/23/97/19/1052239719.db2.gz OHCLTMVDFULRLY-QGZVFWFLSA-N 1 0 314.816 4.077 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218452333 1052241333 /nfs/dbraw/zinc/24/13/33/1052241333.db2.gz WCDRROVSWYVQOI-QZTJIDSGSA-N 1 0 318.420 4.464 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(C(=O)CCCC)cc1 ZINC001218452073 1052241949 /nfs/dbraw/zinc/24/19/49/1052241949.db2.gz QVAKGJMBVIPSME-IEBWSBKVSA-N 1 0 301.430 4.135 20 30 DIEDRO CC1(C)C[C@H](Oc2ccccc2C=Nc2ccccc2)CC[NH2+]1 ZINC001218470801 1052243319 /nfs/dbraw/zinc/24/33/19/1052243319.db2.gz DQHPWMQUOLMMOP-GOSISDBHSA-N 1 0 308.425 4.347 20 30 DIEDRO CC1(C)C[C@@H](Oc2ccccc2/C=N/c2ccccc2O)CC[NH2+]1 ZINC001218478478 1052244354 /nfs/dbraw/zinc/24/43/54/1052244354.db2.gz YVODSFCPBSOJEZ-YIRPMMGJSA-N 1 0 324.424 4.052 20 30 DIEDRO C=CC1(CC(=O)NC[C@H]2CCCC[N@H+]2CCCC)CCCCC1 ZINC001626016596 1052248264 /nfs/dbraw/zinc/24/82/64/1052248264.db2.gz VPPOJZFZIKFHMW-GOSISDBHSA-N 1 0 320.521 4.284 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)cc1 ZINC001218492743 1052249435 /nfs/dbraw/zinc/24/94/35/1052249435.db2.gz YJGCDERYDYDYCB-QKYXUNIQSA-N 1 0 315.457 4.359 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)Cc1ccsc1 ZINC000495230447 1052259939 /nfs/dbraw/zinc/25/99/39/1052259939.db2.gz FHQRUIVQABDWMU-AWEZNQCLSA-N 1 0 314.454 4.081 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@H](C)Cc1ccsc1 ZINC000495230448 1052260402 /nfs/dbraw/zinc/26/04/02/1052260402.db2.gz FHQRUIVQABDWMU-CQSZACIVSA-N 1 0 314.454 4.081 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cccc(COC(C)C)c1 ZINC001218971221 1052265352 /nfs/dbraw/zinc/26/53/52/1052265352.db2.gz YHAIJRZJLYMXGW-SFHVURJKSA-N 1 0 318.461 4.014 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](OC)C2)cc1 ZINC000188815463 1052274031 /nfs/dbraw/zinc/27/40/31/1052274031.db2.gz DBILFTSWVGDGOX-QRTARXTBSA-N 1 0 309.837 4.036 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC001219451144 1052288089 /nfs/dbraw/zinc/28/80/89/1052288089.db2.gz NHAPPSNHIVSUMS-KRWDZBQOSA-N 1 0 304.409 4.105 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000231751235 1052288891 /nfs/dbraw/zinc/28/88/91/1052288891.db2.gz JDTMNUVNBJINBZ-SSDOTTSWSA-N 1 0 303.221 4.275 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000313504720 1052300348 /nfs/dbraw/zinc/30/03/48/1052300348.db2.gz OHGJNFCESQSMEX-UHFFFAOYSA-N 1 0 305.219 4.053 20 30 DIEDRO C=CCCCCCCCCC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220160427 1052322355 /nfs/dbraw/zinc/32/23/55/1052322355.db2.gz ZMLUAWUJUNEZBL-AZUAARDMSA-N 1 0 320.521 4.332 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)NCc1ccc(C)c2ccccc12 ZINC001220338684 1052330083 /nfs/dbraw/zinc/33/00/83/1052330083.db2.gz IMNYXNIJAAMKDF-FQEVSTJZSA-N 1 0 324.468 4.228 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000495406955 1052339083 /nfs/dbraw/zinc/33/90/83/1052339083.db2.gz HIQXQTQXFWHYKA-IAGOWNOFSA-N 1 0 308.425 4.109 20 30 DIEDRO CC(C)[C@@H](C/N=C\c1cc(Cl)ccc1O)[NH+]1CCC(C)CC1 ZINC000915113549 1052351200 /nfs/dbraw/zinc/35/12/00/1052351200.db2.gz YJOCCSIEUJNEQP-LELXDKESSA-N 1 0 322.880 4.221 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000315848380 1052356043 /nfs/dbraw/zinc/35/60/43/1052356043.db2.gz FQCGSLICGGKJLB-GOSISDBHSA-N 1 0 308.510 4.118 20 30 DIEDRO CCC1(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CCCCC1 ZINC000762569285 1052402367 /nfs/dbraw/zinc/40/23/67/1052402367.db2.gz UAPXSPFXIWTIPG-INIZCTEOSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000762770366 1052422654 /nfs/dbraw/zinc/42/26/54/1052422654.db2.gz KZISNVCQTVVAKM-MNOVXSKESA-N 1 0 315.230 4.379 20 30 DIEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609224151 1052456950 /nfs/dbraw/zinc/45/69/50/1052456950.db2.gz KULGOAVKOPFHCJ-IIBYNOLFSA-N 1 0 320.436 4.415 20 30 DIEDRO CCCCCCCCCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000915745921 1052475562 /nfs/dbraw/zinc/47/55/62/1052475562.db2.gz NIHJYBGJZWLBSV-QZTJIDSGSA-N 1 0 308.510 4.260 20 30 DIEDRO C=C(C)CCc1ccccc1-c1cnn(CC[NH+]2CCCC2)c1 ZINC001222483559 1052504639 /nfs/dbraw/zinc/50/46/39/1052504639.db2.gz RUNIBBGJNCSJIZ-UHFFFAOYSA-N 1 0 309.457 4.155 20 30 DIEDRO COc1ccc(-c2c(C)cc(C#N)cc2C)cc1C[NH+]1CCCC1 ZINC001222673000 1052524769 /nfs/dbraw/zinc/52/47/69/1052524769.db2.gz WMUHNRXSFDWELQ-UHFFFAOYSA-N 1 0 320.436 4.447 20 30 DIEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCC(C(C)(C)C)CC1 ZINC000763232137 1052549571 /nfs/dbraw/zinc/54/95/71/1052549571.db2.gz RAAKNKNWKOKUSH-ACBHZAAOSA-N 1 0 314.473 4.128 20 30 DIEDRO C=C[C@@H](O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1)c1ccccc1 ZINC001223311173 1052587400 /nfs/dbraw/zinc/58/74/00/1052587400.db2.gz XXNFRWAPZZSINR-YVWKXTFCSA-N 1 0 308.425 4.161 20 30 DIEDRO C[C@H](C=[NH+]n1cnnc1-c1ccccc1)c1cccc(Cl)c1 ZINC000763359292 1052594057 /nfs/dbraw/zinc/59/40/57/1052594057.db2.gz NFMSZZKWDOBZDU-CYBMUJFWSA-N 1 0 310.788 4.236 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1C#N ZINC000488135834 1052618412 /nfs/dbraw/zinc/61/84/12/1052618412.db2.gz HESBRTOEHMCSDL-GHTZIAJQSA-N 1 0 320.436 4.124 20 30 DIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2CC2CCCCC2)cc1 ZINC000763406221 1052623929 /nfs/dbraw/zinc/62/39/29/1052623929.db2.gz HCKDAPPMRDFHSG-VQTJNVASSA-N 1 0 312.457 4.026 20 30 DIEDRO N#C[C@@H](O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC001223711201 1052629101 /nfs/dbraw/zinc/62/91/01/1052629101.db2.gz OKNXLXIMKBBZGZ-AZUAARDMSA-N 1 0 324.399 4.072 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(C)c2)C(C)C)cc1 ZINC000488171961 1052631655 /nfs/dbraw/zinc/63/16/55/1052631655.db2.gz ULCWQIFVMPLKAS-FQEVSTJZSA-N 1 0 308.425 4.362 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000497126844 1052655042 /nfs/dbraw/zinc/65/50/42/1052655042.db2.gz IVCGGWBIDTVULL-UHFFFAOYSA-N 1 0 317.864 4.210 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000125932786 1052657019 /nfs/dbraw/zinc/65/70/19/1052657019.db2.gz KZNMZBDDSFCBCG-CQSZACIVSA-N 1 0 308.853 4.182 20 30 DIEDRO CCCCCCCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000916836874 1052658344 /nfs/dbraw/zinc/65/83/44/1052658344.db2.gz SYTKFMKZTAHPTC-UHFFFAOYSA-N 1 0 322.468 4.112 20 30 DIEDRO C[C@H](O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1ccc(F)cc1 ZINC001224009296 1052659969 /nfs/dbraw/zinc/65/99/69/1052659969.db2.gz GHFORKKEWJGDSV-YWZLYKJASA-N 1 0 324.399 4.049 20 30 DIEDRO C[NH+](C)CC[C@H](O[C@H](CC#N)c1ccccc1)c1ccccc1 ZINC001224132599 1052671075 /nfs/dbraw/zinc/67/10/75/1052671075.db2.gz DPUUBHQQQOAJDN-UXHICEINSA-N 1 0 308.425 4.351 20 30 DIEDRO C[NH+](C)CC[C@H](O[C@H](C#N)c1cccc(F)c1)c1ccccc1 ZINC001224136979 1052671910 /nfs/dbraw/zinc/67/19/10/1052671910.db2.gz PZQKEIKCBGEZMS-RBUKOAKNSA-N 1 0 312.388 4.100 20 30 DIEDRO C[NH+](C)CC[C@H](O[C@@H](C#N)c1ccccc1F)c1ccccc1 ZINC001224136436 1052672167 /nfs/dbraw/zinc/67/21/67/1052672167.db2.gz IBCFXMGCIGEQHM-OALUTQOASA-N 1 0 312.388 4.100 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OCCCCCCC#N ZINC001224373308 1052692021 /nfs/dbraw/zinc/69/20/21/1052692021.db2.gz PNFLZRDHONCXKL-QUCCMNQESA-N 1 0 314.473 4.388 20 30 DIEDRO N#CCCCCCCO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224375182 1052692032 /nfs/dbraw/zinc/69/20/32/1052692032.db2.gz IFHVYPMMPPZUSO-QGZVFWFLSA-N 1 0 320.864 4.405 20 30 DIEDRO CCCCCCCCCOC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001224386703 1052692873 /nfs/dbraw/zinc/69/28/73/1052692873.db2.gz NDTZXLBTNOWTNS-GOSISDBHSA-N 1 0 311.510 4.397 20 30 DIEDRO C=CCCCCCOC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001224427924 1052696416 /nfs/dbraw/zinc/69/64/16/1052696416.db2.gz MYKFMIJMISLRKF-FQEVSTJZSA-N 1 0 317.473 4.041 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cccc(OC(F)(F)F)c1 ZINC000128049321 1052707912 /nfs/dbraw/zinc/70/79/12/1052707912.db2.gz UKZDLMOITLBUSV-UHFFFAOYSA-N 1 0 314.351 4.347 20 30 DIEDRO CC[C@@H](COCC[S+](c1ccccc1)c1ccccc1)OC ZINC001224644028 1052712489 /nfs/dbraw/zinc/71/24/89/1052712489.db2.gz WXCVDAZCXAENBM-KRWDZBQOSA-N 1 0 317.474 4.165 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000917167962 1052713884 /nfs/dbraw/zinc/71/38/84/1052713884.db2.gz KMWPZYKARWBPHN-UHFFFAOYSA-N 1 0 315.244 4.218 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000154337810 1052715528 /nfs/dbraw/zinc/71/55/28/1052715528.db2.gz QBHMDENUVCZUIL-OAGGEKHMSA-N 1 0 308.425 4.410 20 30 DIEDRO N#CCCCCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224690364 1052716301 /nfs/dbraw/zinc/71/63/01/1052716301.db2.gz SBEMKUYJNQQUOC-QGZVFWFLSA-N 1 0 306.837 4.015 20 30 DIEDRO C=C(CO[C@@H](CC[NH+](C)C)c1cccs1)c1ccccc1 ZINC001224734331 1052721104 /nfs/dbraw/zinc/72/11/04/1052721104.db2.gz NCNZGPMHDGFCKZ-KRWDZBQOSA-N 1 0 301.455 4.471 20 30 DIEDRO C=CCN(Cn1ccn(-c2cccc(C)c2)c1=S)C(C)C ZINC000917481609 1052729384 /nfs/dbraw/zinc/72/93/84/1052729384.db2.gz RMEOTMMSAARZSX-UHFFFAOYSA-N 1 0 301.459 4.171 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cccc(C#N)c1 ZINC001225223143 1052758631 /nfs/dbraw/zinc/75/86/31/1052758631.db2.gz GVMNECHEIODYNQ-FQEVSTJZSA-N 1 0 320.436 4.238 20 30 DIEDRO C[C@@H]([C@H](Oc1ccc(C#N)cc1)c1ccccc1)[NH+]1CCCC1 ZINC001225242902 1052762200 /nfs/dbraw/zinc/76/22/00/1052762200.db2.gz LEPLRYKLUIVXQE-JXFKEZNVSA-N 1 0 306.409 4.163 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc3cccnc32)cc1 ZINC000068840196 1052764803 /nfs/dbraw/zinc/76/48/03/1052764803.db2.gz PASDBCKADXHRKZ-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(CC#N)cc1 ZINC001225266553 1052766366 /nfs/dbraw/zinc/76/63/66/1052766366.db2.gz LKLPSJQPDXXACY-UWJYYQICSA-N 1 0 320.436 4.042 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(-c3ccc(C#N)cc3)cc1)C2 ZINC001225333539 1052775564 /nfs/dbraw/zinc/77/55/64/1052775564.db2.gz IKIFHVCGHDHODG-CEQLMSFQSA-N 1 0 318.420 4.229 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Oc1ccc(C[NH+](C)C)cc1 ZINC001225331405 1052775686 /nfs/dbraw/zinc/77/56/86/1052775686.db2.gz CJXOIFFHUBRFTC-MRXNPFEDSA-N 1 0 311.425 4.453 20 30 DIEDRO Fc1ccc(C[NH2+]CCCC(F)(F)F)c(C(F)(F)F)c1 ZINC000129314482 1052783013 /nfs/dbraw/zinc/78/30/13/1052783013.db2.gz IBRKLEZMDOCVRJ-UHFFFAOYSA-N 1 0 303.221 4.277 20 30 DIEDRO Cc1c(C#N)ccc(OC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC001225516418 1052798912 /nfs/dbraw/zinc/79/89/12/1052798912.db2.gz BMGGVVZHFFPFRB-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1cc(Cl)cc(C#N)c1)c1ccccc1 ZINC001225698354 1052818398 /nfs/dbraw/zinc/81/83/98/1052818398.db2.gz SZPUDLADOUBITR-GOSISDBHSA-N 1 0 314.816 4.283 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1cc(Cl)cc(C#N)c1)c1ccccc1 ZINC001225698355 1052818542 /nfs/dbraw/zinc/81/85/42/1052818542.db2.gz SZPUDLADOUBITR-SFHVURJKSA-N 1 0 314.816 4.283 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(OC)c(OC)c1Cl ZINC000556216792 1052820293 /nfs/dbraw/zinc/82/02/93/1052820293.db2.gz JORBGURVCCYPPB-STQMWFEESA-N 1 0 311.853 4.090 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)c1 ZINC000498364837 1052825240 /nfs/dbraw/zinc/82/52/40/1052825240.db2.gz PUIUPTLXZFIZLU-UHFFFAOYSA-N 1 0 320.820 4.234 20 30 DIEDRO C[C@@H]1CCC[C@](C/N=C/c2c(O)ccc3ccccc32)([NH+](C)C)C1 ZINC000918713035 1052825258 /nfs/dbraw/zinc/82/52/58/1052825258.db2.gz JADLNFGJSHRNEA-VYMLVMGLSA-N 1 0 324.468 4.475 20 30 DIEDRO CC[N@H+](CCOc1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000918739053 1052828474 /nfs/dbraw/zinc/82/84/74/1052828474.db2.gz FVGXNYMQSRYZPN-KRWDZBQOSA-N 1 0 308.425 4.329 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000556295807 1052834949 /nfs/dbraw/zinc/83/49/49/1052834949.db2.gz SHKCGZMQWWGDQC-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO C=C(Cl)C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000763435181 1052855621 /nfs/dbraw/zinc/85/56/21/1052855621.db2.gz QJFFTFXKPCUUNG-UHFFFAOYSA-N 1 0 317.816 4.213 20 30 DIEDRO CN(CC#Cc1ccccc1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000556533251 1052860941 /nfs/dbraw/zinc/86/09/41/1052860941.db2.gz HBSPAJHERSUUSC-JOCHJYFZSA-N 1 0 317.432 4.009 20 30 DIEDRO C[C@@H]1[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[C@@H]1c1ccccc1 ZINC000556600009 1052870425 /nfs/dbraw/zinc/87/04/25/1052870425.db2.gz DRWUNFPOKFBNNE-RYGJVYDSSA-N 1 0 302.421 4.329 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000155088586 1052888599 /nfs/dbraw/zinc/88/85/99/1052888599.db2.gz RUVGPCOCLZVXGI-FXAWDEMLSA-N 1 0 320.436 4.042 20 30 DIEDRO C=CCCC[C@@H](C)NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC001127520852 1052889751 /nfs/dbraw/zinc/88/97/51/1052889751.db2.gz XFDCWAQPDKDOLE-QGZVFWFLSA-N 1 0 316.489 4.392 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000920183121 1052926309 /nfs/dbraw/zinc/92/63/09/1052926309.db2.gz FIAMFGKAUHKOCR-RTWAWAEBSA-N 1 0 320.436 4.405 20 30 DIEDRO Cc1ccc(C#N)c(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001226755953 1052927924 /nfs/dbraw/zinc/92/79/24/1052927924.db2.gz HODMQRAYBRNRHL-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccc(C#N)c(O[C@H](c2ccccc2)[C@H](C)[NH+]2CCCC2)c1 ZINC001226753785 1052928218 /nfs/dbraw/zinc/92/82/18/1052928218.db2.gz JGKCWUAZXBCVHK-UWJYYQICSA-N 1 0 320.436 4.471 20 30 DIEDRO C[C@H](N[NH+]=Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000920386329 1052936900 /nfs/dbraw/zinc/93/69/00/1052936900.db2.gz XPZNHWWJOGQPBX-KRWDZBQOSA-N 1 0 307.441 4.362 20 30 DIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000921471533 1052973018 /nfs/dbraw/zinc/97/30/18/1052973018.db2.gz HSOFXSCDBMOMGL-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO CC(C)CN(Cc1noc2c1CCCC2)Cc1ccc(C#N)cc1 ZINC000609419769 1052977988 /nfs/dbraw/zinc/97/79/88/1052977988.db2.gz UEOCOYQLWXEYAQ-UHFFFAOYSA-N 1 0 323.440 4.083 20 30 DIEDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(C#N)c(Cl)c2)C1 ZINC000609499617 1052980351 /nfs/dbraw/zinc/98/03/51/1052980351.db2.gz IFOXARTXVUYZOE-CQSZACIVSA-N 1 0 305.853 4.136 20 30 DIEDRO C[NH+](C)CCc1ccc(Nc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001212259946 1052980603 /nfs/dbraw/zinc/98/06/03/1052980603.db2.gz CMIPWLIEXNCCIC-UHFFFAOYSA-N 1 0 305.425 4.089 20 30 DIEDRO CC1CC[NH+](CCCCNc2ccc(C#N)c(Cl)c2)CC1 ZINC000609500451 1052980631 /nfs/dbraw/zinc/98/06/31/1052980631.db2.gz JVNIJLAQTDOAJU-UHFFFAOYSA-N 1 0 305.853 4.136 20 30 DIEDRO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCOC1 ZINC000609631672 1052985583 /nfs/dbraw/zinc/98/55/83/1052985583.db2.gz MDEMNIJJXHGVQN-GOSISDBHSA-N 1 0 320.436 4.084 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609741584 1052990592 /nfs/dbraw/zinc/99/05/92/1052990592.db2.gz SFKGWTWMOBWVQT-MRXNPFEDSA-N 1 0 306.409 4.191 20 30 DIEDRO CC[N@H+](CC/C=C\c1ccc(Br)cc1)C[C@H](C)C#N ZINC000609766388 1052992379 /nfs/dbraw/zinc/99/23/79/1052992379.db2.gz FZYWFXJXSMAPTL-KXQLTZBTSA-N 1 0 321.262 4.334 20 30 DIEDRO COc1ccc2c(c1)CCC[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000609823628 1052994109 /nfs/dbraw/zinc/99/41/09/1052994109.db2.gz YFQDFCMZIHYMOJ-HNNXBMFYSA-N 1 0 306.409 4.076 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000610001993 1053002314 /nfs/dbraw/zinc/00/23/14/1053002314.db2.gz RSINCJASCSFYJO-PKOBYXMFSA-N 1 0 320.436 4.124 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCCCc2ccccc2)cc1 ZINC000237567044 1053012637 /nfs/dbraw/zinc/01/26/37/1053012637.db2.gz APRDXZYMWAOKMW-GOSISDBHSA-N 1 0 322.452 4.480 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000237581013 1053013248 /nfs/dbraw/zinc/01/32/48/1053013248.db2.gz NHUWBXUQQPSYSR-IKGGRYGDSA-N 1 0 300.446 4.283 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000237597682 1053014159 /nfs/dbraw/zinc/01/41/59/1053014159.db2.gz CJQQSJNHABDCOX-KKSFZXQISA-N 1 0 305.421 4.112 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)cc1F ZINC000179621044 1053019475 /nfs/dbraw/zinc/01/94/75/1053019475.db2.gz GGXHDZXYWSLHHW-QGZVFWFLSA-N 1 0 304.315 4.216 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000237704012 1053021052 /nfs/dbraw/zinc/02/10/52/1053021052.db2.gz DOJWBEQEMUBKGG-STQMWFEESA-N 1 0 316.351 4.106 20 30 DIEDRO Cc1cccc(C(C)(C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000237694162 1053021636 /nfs/dbraw/zinc/02/16/36/1053021636.db2.gz ACBXZUXVLIEDNR-KRWDZBQOSA-N 1 0 322.452 4.353 20 30 DIEDRO Cc1ccc(F)c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000179773306 1053026397 /nfs/dbraw/zinc/02/63/97/1053026397.db2.gz OMLQWKQKRCVSPC-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237840542 1053031595 /nfs/dbraw/zinc/03/15/95/1053031595.db2.gz QYWQKKOEWGPNOE-UHFFFAOYSA-N 1 0 319.326 4.007 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)N[C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000179899871 1053032309 /nfs/dbraw/zinc/03/23/09/1053032309.db2.gz IZPAVVFIUSUBGD-HWWQOWPSSA-N 1 0 319.836 4.311 20 30 DIEDRO C=CC[C@H](C)[C@H](C)N[C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000179899853 1053032647 /nfs/dbraw/zinc/03/26/47/1053032647.db2.gz IZPAVVFIUSUBGD-MKBNYLNASA-N 1 0 319.836 4.311 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000179906737 1053034560 /nfs/dbraw/zinc/03/45/60/1053034560.db2.gz WSMGVXBNXMTVSE-FOIQADDNSA-N 1 0 306.409 4.097 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1O ZINC000179888581 1053034856 /nfs/dbraw/zinc/03/48/56/1053034856.db2.gz HJBBTWANNFRKTC-ZDUSSCGKSA-N 1 0 319.326 4.113 20 30 DIEDRO CC(C)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001228100021 1053043272 /nfs/dbraw/zinc/04/32/72/1053043272.db2.gz IUUCPOZDGDYQQJ-NRFANRHFSA-N 1 0 320.436 4.335 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000180536800 1053065543 /nfs/dbraw/zinc/06/55/43/1053065543.db2.gz WLRGWBHSCASFAV-LPHOPBHVSA-N 1 0 308.425 4.261 20 30 DIEDRO CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000180536853 1053065808 /nfs/dbraw/zinc/06/58/08/1053065808.db2.gz WLRGWBHSCASFAV-VQIMIIECSA-N 1 0 308.425 4.261 20 30 DIEDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)c(F)c1 ZINC000616749725 1053070275 /nfs/dbraw/zinc/07/02/75/1053070275.db2.gz BIQLHZWIJRANDU-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO C#CC[C@@H](C)Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001228374867 1053086792 /nfs/dbraw/zinc/08/67/92/1053086792.db2.gz SJSSFYSUAFUBQL-MRXNPFEDSA-N 1 0 308.425 4.011 20 30 DIEDRO C#CC[C@H](CC)Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001228374360 1053087687 /nfs/dbraw/zinc/08/76/87/1053087687.db2.gz IVPLXCFPMVRFNP-SFHVURJKSA-N 1 0 322.452 4.401 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180871142 1053099298 /nfs/dbraw/zinc/09/92/98/1053099298.db2.gz GMIAGXYWAMREED-INIZCTEOSA-N 1 0 304.482 4.153 20 30 DIEDRO CC(=O)/C=C/c1ccc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001228497769 1053119512 /nfs/dbraw/zinc/11/95/12/1053119512.db2.gz XGLWZMBOELEDIP-BQYQJAHWSA-N 1 0 315.457 4.319 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)C1 ZINC001228499856 1053119732 /nfs/dbraw/zinc/11/97/32/1053119732.db2.gz ZORNDDJFFYFUCL-ACQXMXPUSA-N 1 0 321.420 4.056 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)C1 ZINC001228499868 1053121248 /nfs/dbraw/zinc/12/12/48/1053121248.db2.gz ZORNDDJFFYFUCL-QKQONQEDSA-N 1 0 321.420 4.056 20 30 DIEDRO CC[N@@H+]1CC[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C1 ZINC001228542044 1053129652 /nfs/dbraw/zinc/12/96/52/1053129652.db2.gz BZISNCAIFBCSKV-HYSAVQALSA-N 1 0 321.420 4.056 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1cccc(C#N)c1 ZINC000617506105 1053150166 /nfs/dbraw/zinc/15/01/66/1053150166.db2.gz VEILRXCETNBLOF-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cn1)Cc1ccc(C(C)(C)C)cc1 ZINC000780556428 1053177129 /nfs/dbraw/zinc/17/71/29/1053177129.db2.gz YMJXPWBKPWGJCS-INIZCTEOSA-N 1 0 321.468 4.219 20 30 DIEDRO CCOc1ccc2c(c1)C[N@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC001318635191 1053178939 /nfs/dbraw/zinc/17/89/39/1053178939.db2.gz SGTWIZLIOVEDKA-OAHLLOKOSA-N 1 0 306.409 4.076 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181284821 1053179337 /nfs/dbraw/zinc/17/93/37/1053179337.db2.gz LAKGCWLSINJUJN-GJZGRUSLSA-N 1 0 302.418 4.039 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181302355 1053182748 /nfs/dbraw/zinc/18/27/48/1053182748.db2.gz GWTWJTFMRPGNFF-CYBMUJFWSA-N 1 0 317.230 4.308 20 30 DIEDRO C#C[C@@H](CC(C)C)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228831013 1053187495 /nfs/dbraw/zinc/18/74/95/1053187495.db2.gz WXGVIHVNWYIOAW-KRWDZBQOSA-N 1 0 324.468 4.404 20 30 DIEDRO N#Cc1csc(C[NH2+]Cc2cnc(-c3ccccc3)s2)c1 ZINC001318909874 1053202673 /nfs/dbraw/zinc/20/26/73/1053202673.db2.gz LIJVIEBSJRXHHV-UHFFFAOYSA-N 1 0 311.435 4.033 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1cccc(C#N)c1Cl)c1ccccc1 ZINC001229068409 1053238080 /nfs/dbraw/zinc/23/80/80/1053238080.db2.gz ZJRZLVIZDLBAMR-INIZCTEOSA-N 1 0 314.816 4.283 20 30 DIEDRO C=C(C)c1ccc(O[C@@H]2CCCN(c3ccc(C)cn3)C2)cc1 ZINC001229079476 1053241626 /nfs/dbraw/zinc/24/16/26/1053241626.db2.gz TVEZKDPPDOOTHO-LJQANCHMSA-N 1 0 308.425 4.471 20 30 DIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181594110 1053253961 /nfs/dbraw/zinc/25/39/61/1053253961.db2.gz INSFAPJHKWTLKU-IAGOWNOFSA-N 1 0 308.425 4.433 20 30 DIEDRO Cc1cccc(C#N)c1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001229180662 1053269289 /nfs/dbraw/zinc/26/92/89/1053269289.db2.gz AJVLMOWGNHLVKF-XLIONFOSSA-N 1 0 320.436 4.156 20 30 DIEDRO Cc1ccc(OCCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181644716 1053272280 /nfs/dbraw/zinc/27/22/80/1053272280.db2.gz UCIGTTBTVPBDKJ-KRWDZBQOSA-N 1 0 324.424 4.017 20 30 DIEDRO Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC001229213112 1053275082 /nfs/dbraw/zinc/27/50/82/1053275082.db2.gz KVWKNKHTMWBTMZ-UWJYYQICSA-N 1 0 320.436 4.156 20 30 DIEDRO Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC001229213110 1053276036 /nfs/dbraw/zinc/27/60/36/1053276036.db2.gz KVWKNKHTMWBTMZ-LAUBAEHRSA-N 1 0 320.436 4.156 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccccc1N1CCCC1 ZINC001319912674 1053284877 /nfs/dbraw/zinc/28/48/77/1053284877.db2.gz MHSZYUPHQQDCNK-UHFFFAOYSA-N 1 0 310.441 4.111 20 30 DIEDRO C[C@@H]([NH2+]CCCCOc1ccccc1)c1ccc(C#N)cc1F ZINC001319961475 1053288070 /nfs/dbraw/zinc/28/80/70/1053288070.db2.gz CBTNARKPMCMVLJ-OAHLLOKOSA-N 1 0 312.388 4.207 20 30 DIEDRO CCC[C@H](C[NH2+]Cc1cccc(OCC#N)c1)c1ccccc1 ZINC001319955130 1053288653 /nfs/dbraw/zinc/28/86/53/1053288653.db2.gz OVRJZZBVEHZUHP-LJQANCHMSA-N 1 0 308.425 4.262 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000181763470 1053288962 /nfs/dbraw/zinc/28/89/62/1053288962.db2.gz CRNMUXHBESVZAG-DNVCBOLYSA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000069755895 1053290825 /nfs/dbraw/zinc/29/08/25/1053290825.db2.gz DCJPCHAIAGRFLB-KRWDZBQOSA-N 1 0 307.441 4.196 20 30 DIEDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181828298 1053295946 /nfs/dbraw/zinc/29/59/46/1053295946.db2.gz BUJZILQWXJKFOA-IRXDYDNUSA-N 1 0 324.424 4.016 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccc(F)cc1 ZINC001320032545 1053297514 /nfs/dbraw/zinc/29/75/14/1053297514.db2.gz RURUOIFHCXIVHS-VQTJNVASSA-N 1 0 308.400 4.140 20 30 DIEDRO C=CCc1ccc(O)c(O[C@@H](CC[NH+](C)C)c2ccccc2)c1 ZINC001229338775 1053300399 /nfs/dbraw/zinc/30/03/99/1053300399.db2.gz MSMAEMBDSGMRBB-IBGZPJMESA-N 1 0 311.425 4.193 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1cccc(C#N)c1 ZINC000181843638 1053300843 /nfs/dbraw/zinc/30/08/43/1053300843.db2.gz XTYVQHSQXSKBDB-HOTGVXAUSA-N 1 0 316.408 4.156 20 30 DIEDRO CCC[C@H](CCc1ccccc1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001320236578 1053318743 /nfs/dbraw/zinc/31/87/43/1053318743.db2.gz BFYZHAUEVCOMMF-HXUWFJFHSA-N 1 0 322.452 4.480 20 30 DIEDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)/C=C\c2ccccc2)cc1 ZINC001229435130 1053320796 /nfs/dbraw/zinc/32/07/96/1053320796.db2.gz ZGLLZDQWRTXIRM-XBNGYDHASA-N 1 0 324.444 4.056 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000181997676 1053323020 /nfs/dbraw/zinc/32/30/20/1053323020.db2.gz XRCKYYGBXNJYPF-UGSOOPFHSA-N 1 0 314.816 4.250 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000181997692 1053323160 /nfs/dbraw/zinc/32/31/60/1053323160.db2.gz XRCKYYGBXNJYPF-ACJLOTCBSA-N 1 0 314.816 4.250 20 30 DIEDRO N#C[C@@H](Oc1cccc(C[NH+]2CCCCC2)c1)c1cccc(F)c1 ZINC001229448823 1053323215 /nfs/dbraw/zinc/32/32/15/1053323215.db2.gz POBAPIWEUAKNBI-HXUWFJFHSA-N 1 0 324.399 4.455 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(C#N)c1 ZINC000618569864 1053325142 /nfs/dbraw/zinc/32/51/42/1053325142.db2.gz AZFVXXXNSVINNV-BFUOFWGJSA-N 1 0 321.380 4.195 20 30 DIEDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@H]1OCc1ccccc1 ZINC000618578781 1053325456 /nfs/dbraw/zinc/32/54/56/1053325456.db2.gz YJRGADVJXPSCKA-WJFTUGDTSA-N 1 0 312.457 4.042 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000618577904 1053325544 /nfs/dbraw/zinc/32/55/44/1053325544.db2.gz RRGVEIHEDMLVJT-HUUCEWRRSA-N 1 0 318.411 4.449 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CCC(C)C)ccc1C#N ZINC001200046409 1053330654 /nfs/dbraw/zinc/33/06/54/1053330654.db2.gz PLEOQQGFSOLCAP-WMZOPIPTSA-N 1 0 300.446 4.261 20 30 DIEDRO C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000182043575 1053335429 /nfs/dbraw/zinc/33/54/29/1053335429.db2.gz AEJPDRORDAHNOB-QGZVFWFLSA-N 1 0 320.436 4.262 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000182089648 1053342594 /nfs/dbraw/zinc/34/25/94/1053342594.db2.gz UDARDZUNCDKYOQ-QAPCUYQASA-N 1 0 323.415 4.017 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC001320591271 1053347040 /nfs/dbraw/zinc/34/70/40/1053347040.db2.gz DDNIRXVSFVJWNQ-APWZRJJASA-N 1 0 311.425 4.117 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC001320591272 1053347077 /nfs/dbraw/zinc/34/70/77/1053347077.db2.gz DDNIRXVSFVJWNQ-LPHOPBHVSA-N 1 0 311.425 4.117 20 30 DIEDRO C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182105207 1053353047 /nfs/dbraw/zinc/35/30/47/1053353047.db2.gz XUTNVDDRZZUKMS-MRXNPFEDSA-N 1 0 320.436 4.045 20 30 DIEDRO CCSc1cccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741417 1053357083 /nfs/dbraw/zinc/35/70/83/1053357083.db2.gz FZBBGGRYYADBHO-IBGZPJMESA-N 1 0 308.450 4.447 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741174 1053358149 /nfs/dbraw/zinc/35/81/49/1053358149.db2.gz CYMWKTLCQGRTSD-FQEVSTJZSA-N 1 0 306.409 4.123 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC001320739978 1053358765 /nfs/dbraw/zinc/35/87/65/1053358765.db2.gz QJBDNFDVQMTIGN-UHFFFAOYSA-N 1 0 324.449 4.023 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000618741321 1053359315 /nfs/dbraw/zinc/35/93/15/1053359315.db2.gz DPRGFCWEZNSAJH-SFHVURJKSA-N 1 0 306.340 4.221 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001545710324 1053361740 /nfs/dbraw/zinc/36/17/40/1053361740.db2.gz XSBDZTUHXWLWDM-ULQDDVLXSA-N 1 0 308.510 4.115 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(F)c(F)c(F)c1 ZINC000618802325 1053366965 /nfs/dbraw/zinc/36/69/65/1053366965.db2.gz ISDAYAGDWQIBGX-QGHHPUGFSA-N 1 0 316.326 4.314 20 30 DIEDRO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618806346 1053369788 /nfs/dbraw/zinc/36/97/88/1053369788.db2.gz QSRYJLZQQUGOGK-MEDUHNTESA-N 1 0 311.454 4.224 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc(OC)c1 ZINC000618803370 1053369940 /nfs/dbraw/zinc/36/99/40/1053369940.db2.gz IGEKELFMYCSTJE-PMACEKPBSA-N 1 0 306.409 4.295 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000618806257 1053370310 /nfs/dbraw/zinc/37/03/10/1053370310.db2.gz QCYKDNRWIREXIR-OUNSHVDWSA-N 1 0 306.384 4.220 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000618806145 1053372277 /nfs/dbraw/zinc/37/22/77/1053372277.db2.gz PPOBNGFWRYYIHJ-RTBURBONSA-N 1 0 308.812 4.476 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC(c2ccccc2F)C1 ZINC000618807664 1053372823 /nfs/dbraw/zinc/37/28/23/1053372823.db2.gz VPUGLJINURHNLS-PMTKGXAQSA-N 1 0 306.384 4.220 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618807184 1053372907 /nfs/dbraw/zinc/37/29/07/1053372907.db2.gz VHASFHIOBGGLNQ-KZULUSFZSA-N 1 0 310.372 4.044 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cnn1C(C)(C)C ZINC000618807483 1053372938 /nfs/dbraw/zinc/37/29/38/1053372938.db2.gz ZXABXHVYMFKGSM-DJJJIMSYSA-N 1 0 322.456 4.156 20 30 DIEDRO C=CCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001320897162 1053373164 /nfs/dbraw/zinc/37/31/64/1053373164.db2.gz BKWMZBLNBNXNOG-HXUWFJFHSA-N 1 0 318.420 4.002 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618807186 1053373956 /nfs/dbraw/zinc/37/39/56/1053373956.db2.gz VHASFHIOBGGLNQ-XIKOKIGWSA-N 1 0 310.372 4.044 20 30 DIEDRO CCC[C@@H](C[NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000182200369 1053374623 /nfs/dbraw/zinc/37/46/23/1053374623.db2.gz SFGFVLMDISODIT-IBGZPJMESA-N 1 0 308.425 4.262 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]CCCCCOc1ccccc1 ZINC000618831322 1053376846 /nfs/dbraw/zinc/37/68/46/1053376846.db2.gz JVDWSFYKEPEYSA-OAQYLSRUSA-N 1 0 320.436 4.384 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Oc1ccccc1C[NH+](C)C ZINC001229702940 1053388166 /nfs/dbraw/zinc/38/81/66/1053388166.db2.gz WSEXDNMKFVENLD-INIZCTEOSA-N 1 0 311.425 4.453 20 30 DIEDRO CC1(C)[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C[C@H]1c1ccccc1 ZINC001321198562 1053399101 /nfs/dbraw/zinc/39/91/01/1053399101.db2.gz ARXRALRFZMHYIJ-PMACEKPBSA-N 1 0 320.436 4.261 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000618965857 1053408604 /nfs/dbraw/zinc/40/86/04/1053408604.db2.gz MTAIXFQJAPMKRJ-UHFFFAOYSA-N 1 0 321.449 4.063 20 30 DIEDRO CCC[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000619069277 1053426014 /nfs/dbraw/zinc/42/60/14/1053426014.db2.gz RGUZGFONUNTXMJ-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000619070973 1053426054 /nfs/dbraw/zinc/42/60/54/1053426054.db2.gz JANTWKPSACCKGB-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO CC(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000763540539 1053464065 /nfs/dbraw/zinc/46/40/65/1053464065.db2.gz UDJKJRQCENYABV-FQEVSTJZSA-N 1 0 322.452 4.240 20 30 DIEDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619287075 1053471909 /nfs/dbraw/zinc/47/19/09/1053471909.db2.gz YFILQPRYNQQWRL-WFASDCNBSA-N 1 0 310.363 4.260 20 30 DIEDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619287073 1053472559 /nfs/dbraw/zinc/47/25/59/1053472559.db2.gz YFILQPRYNQQWRL-SWLSCSKDSA-N 1 0 310.363 4.260 20 30 DIEDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000619428451 1053492621 /nfs/dbraw/zinc/49/26/21/1053492621.db2.gz OXSMHDLBDRYXGL-PMACEKPBSA-N 1 0 320.436 4.272 20 30 DIEDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508327 1053496904 /nfs/dbraw/zinc/49/69/04/1053496904.db2.gz XKXVRWSJFMZMMB-KPZWWZAWSA-N 1 0 309.413 4.281 20 30 DIEDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508330 1053497594 /nfs/dbraw/zinc/49/75/94/1053497594.db2.gz XKXVRWSJFMZMMB-XIKOKIGWSA-N 1 0 309.413 4.281 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 ZINC000619508428 1053497662 /nfs/dbraw/zinc/49/76/62/1053497662.db2.gz SXIDZQLBAAQMTA-YWZLYKJASA-N 1 0 305.425 4.114 20 30 DIEDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508328 1053497923 /nfs/dbraw/zinc/49/79/23/1053497923.db2.gz XKXVRWSJFMZMMB-KZULUSFZSA-N 1 0 309.413 4.281 20 30 DIEDRO COc1cc(C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)ccc1C#N ZINC000619654383 1053524911 /nfs/dbraw/zinc/52/49/11/1053524911.db2.gz FKYOPBNEKDLZQY-ZUOKHONESA-N 1 0 324.399 4.119 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000619673935 1053528452 /nfs/dbraw/zinc/52/84/52/1053528452.db2.gz GTMJRIWECOWDGS-NRFANRHFSA-N 1 0 315.420 4.249 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000619725027 1053539888 /nfs/dbraw/zinc/53/98/88/1053539888.db2.gz ZSQVMFMYMFCSIK-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCNc3ccccc32)cc1Cl ZINC000619755912 1053547123 /nfs/dbraw/zinc/54/71/23/1053547123.db2.gz YNTCSKYVJQAVKL-SFHVURJKSA-N 1 0 311.816 4.248 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1F ZINC000619755204 1053547254 /nfs/dbraw/zinc/54/72/54/1053547254.db2.gz CHQKSUDJWAAFKL-NSHDSACASA-N 1 0 313.763 4.073 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619755837 1053547888 /nfs/dbraw/zinc/54/78/88/1053547888.db2.gz VSOHDQGIQUSLRH-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755047 1053547939 /nfs/dbraw/zinc/54/79/39/1053547939.db2.gz RMJPWJLQHIFZNF-CYBMUJFWSA-N 1 0 314.816 4.380 20 30 DIEDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000619754938 1053548458 /nfs/dbraw/zinc/54/84/58/1053548458.db2.gz OYSCOMUXNMGIDN-BOFPYLFWSA-N 1 0 310.828 4.493 20 30 DIEDRO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619755928 1053548964 /nfs/dbraw/zinc/54/89/64/1053548964.db2.gz ZHKPZCMZDRHOLG-JTQLQIEISA-N 1 0 319.861 4.390 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2cccnc2)C2CCC2)cc1Cl ZINC000619755616 1053548988 /nfs/dbraw/zinc/54/89/88/1053548988.db2.gz NNFYUTUBGONWPZ-SFHVURJKSA-N 1 0 311.816 4.238 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C12CCCC2 ZINC000619755844 1053550597 /nfs/dbraw/zinc/55/05/97/1053550597.db2.gz VZQLEMBUETXUGK-IAGOWNOFSA-N 1 0 318.848 4.039 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1Cl ZINC000619746617 1053551447 /nfs/dbraw/zinc/55/14/47/1053551447.db2.gz CWKGXUVNCGHNCX-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)cc1Cl ZINC000619746615 1053552090 /nfs/dbraw/zinc/55/20/90/1053552090.db2.gz CWKGXUVNCGHNCX-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cc1Cl ZINC000619746774 1053554242 /nfs/dbraw/zinc/55/42/42/1053554242.db2.gz JYMCMTHIQSVGBO-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cc1Cl ZINC000619746775 1053554315 /nfs/dbraw/zinc/55/43/15/1053554315.db2.gz JYMCMTHIQSVGBO-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000152979695 1053563585 /nfs/dbraw/zinc/56/35/85/1053563585.db2.gz YMFUQDWGZFGYNG-AWEZNQCLSA-N 1 0 322.493 4.239 20 30 DIEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000152973373 1053564693 /nfs/dbraw/zinc/56/46/93/1053564693.db2.gz FQXCPMBDOWXXQN-ZDUSSCGKSA-N 1 0 310.844 4.170 20 30 DIEDRO Cc1cc(OCCC[C@@H](C)[NH2+]CC2(C#N)CC2)ccc1Cl ZINC000619845915 1053565860 /nfs/dbraw/zinc/56/58/60/1053565860.db2.gz KJXOMDYQPIFHIK-CQSZACIVSA-N 1 0 306.837 4.089 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@@H]1C[C@H]1c1ccccc1 ZINC000619822963 1053566750 /nfs/dbraw/zinc/56/67/50/1053566750.db2.gz JOQPYMOQTFUUFH-LYARXQMPSA-N 1 0 302.421 4.327 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CS1 ZINC000619847313 1053568041 /nfs/dbraw/zinc/56/80/41/1053568041.db2.gz SHKAZEFSNHWMAC-HIFRSBDPSA-N 1 0 308.878 4.221 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2CCC(c3ccccc3)CC2)nc1 ZINC001323808652 1053601974 /nfs/dbraw/zinc/60/19/74/1053601974.db2.gz RAFJWOHMDSRJMA-UHFFFAOYSA-N 1 0 305.425 4.017 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)cc1 ZINC001323964209 1053613271 /nfs/dbraw/zinc/61/32/71/1053613271.db2.gz KHMVIIBLFAFRQC-LBPRGKRZSA-N 1 0 319.326 4.259 20 30 DIEDRO C=CC(C)(C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001435600820 1053615466 /nfs/dbraw/zinc/61/54/66/1053615466.db2.gz RNJAQADRPIKFJQ-UHFFFAOYSA-N 1 0 314.473 4.112 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C(F)F)c2)cc1 ZINC001324333641 1053644790 /nfs/dbraw/zinc/64/47/90/1053644790.db2.gz IWUSZZOGKJIBGU-ZDUSSCGKSA-N 1 0 316.351 4.205 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccc(OCC#N)cc1 ZINC001324337191 1053647011 /nfs/dbraw/zinc/64/70/11/1053647011.db2.gz YOULJNWFIBOGBY-CYBMUJFWSA-N 1 0 316.351 4.377 20 30 DIEDRO C=CCc1cccc(OC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001231015079 1053651158 /nfs/dbraw/zinc/65/11/58/1053651158.db2.gz LRXWTKSVJDOBDF-UHFFFAOYSA-N 1 0 307.437 4.459 20 30 DIEDRO CC1(C)CC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)c2ccccc21 ZINC001325027659 1053695800 /nfs/dbraw/zinc/69/58/00/1053695800.db2.gz HQVVJKVQPXYNIB-HXUWFJFHSA-N 1 0 320.436 4.491 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000153729121 1053711355 /nfs/dbraw/zinc/71/13/55/1053711355.db2.gz KCEIJFJXKMNVOY-CQSZACIVSA-N 1 0 315.388 4.250 20 30 DIEDRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1cccc(OCC#N)c1 ZINC001325672309 1053727060 /nfs/dbraw/zinc/72/70/60/1053727060.db2.gz JEPKZMDDUJNONL-FQEVSTJZSA-N 1 0 320.436 4.373 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000620756943 1053728949 /nfs/dbraw/zinc/72/89/49/1053728949.db2.gz WPCKBKZJSBTVOY-OAQYLSRUSA-N 1 0 323.436 4.047 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC(F)F)c(OC)c1)c1ccccc1 ZINC000620757840 1053729337 /nfs/dbraw/zinc/72/93/37/1053729337.db2.gz QCBYGHFDEXPJOZ-UHFFFAOYSA-N 1 0 319.351 4.100 20 30 DIEDRO CC(C)CC[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccoc1 ZINC001325887714 1053741777 /nfs/dbraw/zinc/74/17/77/1053741777.db2.gz JXKINWYXWRPOIL-LJQANCHMSA-N 1 0 312.413 4.449 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)cc1Cl ZINC000183715352 1053743449 /nfs/dbraw/zinc/74/34/49/1053743449.db2.gz GQGZUNZOMPIMKJ-CQSZACIVSA-N 1 0 316.832 4.493 20 30 DIEDRO CN(C)c1ccc2cc(C[N@@H+]3CCC[C@@H](CC#N)C3)ccc2c1 ZINC001231442551 1053755901 /nfs/dbraw/zinc/75/59/01/1053755901.db2.gz RAGYCQQIXYHICQ-INIZCTEOSA-N 1 0 307.441 4.031 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cnc2c(F)cccc2c1)c1ccncc1 ZINC001200562553 1053765516 /nfs/dbraw/zinc/76/55/16/1053765516.db2.gz OTCPVHYWMUWTKN-SFHVURJKSA-N 1 0 307.372 4.176 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231579040 1053789184 /nfs/dbraw/zinc/78/91/84/1053789184.db2.gz XMFQQXLYBRURMX-UHFFFAOYSA-N 1 0 314.432 4.212 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)c2ccccc2OC)c1 ZINC001231623900 1053806091 /nfs/dbraw/zinc/80/60/91/1053806091.db2.gz AISRNDBEGOIRFC-INIZCTEOSA-N 1 0 311.425 4.453 20 30 DIEDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1C(C)C ZINC001231627164 1053809015 /nfs/dbraw/zinc/80/90/15/1053809015.db2.gz XYVLVZPGSRCEHD-MRXNPFEDSA-N 1 0 300.446 4.253 20 30 DIEDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C#N)CC2)cc1C(C)C ZINC001231627163 1053809108 /nfs/dbraw/zinc/80/91/08/1053809108.db2.gz XYVLVZPGSRCEHD-INIZCTEOSA-N 1 0 300.446 4.253 20 30 DIEDRO COc1cc(C)c(C[NH+]2CCC(C)(C#N)CC2)cc1C(C)C ZINC001231628776 1053810605 /nfs/dbraw/zinc/81/06/05/1053810605.db2.gz KYIXTYDYFNOAEG-UHFFFAOYSA-N 1 0 300.446 4.253 20 30 DIEDRO C#Cc1cccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001231662819 1053826550 /nfs/dbraw/zinc/82/65/50/1053826550.db2.gz IYLYPVWQBPQEFJ-UHFFFAOYSA-N 1 0 303.327 4.319 20 30 DIEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000157464786 1053854464 /nfs/dbraw/zinc/85/44/64/1053854464.db2.gz CJJRRETZBJAEQA-KRWDZBQOSA-N 1 0 316.445 4.142 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC001436461545 1053869972 /nfs/dbraw/zinc/86/99/72/1053869972.db2.gz GQPBIKZVQFYOGQ-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO Cc1c(C[NH2+]Cc2csc(C#N)c2)oc2ccc(F)cc12 ZINC001200671777 1053873691 /nfs/dbraw/zinc/87/36/91/1053873691.db2.gz HTOVSSCPWHJQPN-UHFFFAOYSA-N 1 0 300.358 4.103 20 30 DIEDRO Cc1ccc(CC[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC001231820516 1053874647 /nfs/dbraw/zinc/87/46/47/1053874647.db2.gz NCJLELIWWQOVGG-UHFFFAOYSA-N 1 0 321.468 4.019 20 30 DIEDRO C=CCC1(c2nnc([C@@H](C)C[NH+]3CCC(C)CC3)o2)CCCC1 ZINC001327845206 1053882321 /nfs/dbraw/zinc/88/23/21/1053882321.db2.gz CABYVCGDCVMRTK-INIZCTEOSA-N 1 0 317.477 4.293 20 30 DIEDRO C=C(Cl)C[NH2+]Cc1ccc(OCc2cccc(OC)c2)cc1 ZINC001200704864 1053908712 /nfs/dbraw/zinc/90/87/12/1053908712.db2.gz WWIYVGHAZNPPFH-UHFFFAOYSA-N 1 0 317.816 4.116 20 30 DIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCCC(C)(C)C#N)c1 ZINC000277739687 1053929588 /nfs/dbraw/zinc/92/95/88/1053929588.db2.gz OSPQWZNCMHQCJW-AWEZNQCLSA-N 1 0 301.434 4.016 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232006894 1053938219 /nfs/dbraw/zinc/93/82/19/1053938219.db2.gz PULQHFCMZQKWTO-DVSIDAKKSA-N 1 0 308.347 4.280 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1c[nH]c2c1cccc2Br ZINC001232022407 1053943732 /nfs/dbraw/zinc/94/37/32/1053943732.db2.gz WPAZUTQRZPMNHL-UHFFFAOYSA-N 1 0 307.235 4.328 20 30 DIEDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1cc(Cl)ccc1OCC#N ZINC001328992507 1053960031 /nfs/dbraw/zinc/96/00/31/1053960031.db2.gz LDUHBHDFUIVMTI-YOEHRIQHSA-N 1 0 304.821 4.007 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232115338 1053966345 /nfs/dbraw/zinc/96/63/45/1053966345.db2.gz LGMURJQQBOEKRM-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CCCCCCCCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001300722277 1053975701 /nfs/dbraw/zinc/97/57/01/1053975701.db2.gz FLFHBIZHXMKKFS-QGZVFWFLSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001354876670 1053992471 /nfs/dbraw/zinc/99/24/71/1053992471.db2.gz HYVQHNUMEFVYBJ-GOSISDBHSA-N 1 0 310.526 4.220 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1Cl ZINC001329555859 1053994954 /nfs/dbraw/zinc/99/49/54/1053994954.db2.gz DAHNLPBKMSXFIA-CLLJXQQHSA-N 1 0 313.775 4.038 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232266992 1054007152 /nfs/dbraw/zinc/00/71/52/1054007152.db2.gz HDGBZCXAOJZSDS-UHFFFAOYSA-N 1 0 317.816 4.330 20 30 DIEDRO C=CCC1(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)CCCC1 ZINC000621762787 1054008408 /nfs/dbraw/zinc/00/84/08/1054008408.db2.gz KSGIPNOQGMANGA-GOSISDBHSA-N 1 0 312.457 4.210 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(Cl)c(OC)cc1O ZINC001232267913 1054008589 /nfs/dbraw/zinc/00/85/89/1054008589.db2.gz JWYSBJFIUNZJRG-UHFFFAOYSA-N 1 0 317.816 4.242 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1Cl ZINC001200837775 1054025620 /nfs/dbraw/zinc/02/56/20/1054025620.db2.gz GNTKGDUEVRNNQR-UHFFFAOYSA-N 1 0 305.849 4.431 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)c1cccc(C2CC2)c1 ZINC001330361249 1054034138 /nfs/dbraw/zinc/03/41/38/1054034138.db2.gz GRHCZMSZLWOTPV-OAHLLOKOSA-N 1 0 306.409 4.317 20 30 DIEDRO N#Cc1ccnc(C[NH+]2CCC(CCCc3ccccc3)CC2)c1 ZINC001232475756 1054054066 /nfs/dbraw/zinc/05/40/66/1054054066.db2.gz SMMPISDJYUHRBW-UHFFFAOYSA-N 1 0 319.452 4.188 20 30 DIEDRO Cc1cccc(F)c1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001232485553 1054055729 /nfs/dbraw/zinc/05/57/29/1054055729.db2.gz ZADFBVLIVWABPV-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(Br)c1N)C1CCCCC1 ZINC001232527622 1054064580 /nfs/dbraw/zinc/06/45/80/1054064580.db2.gz DLGQTJYSQOKOMH-UHFFFAOYSA-N 1 0 323.278 4.352 20 30 DIEDRO Cc1cc(-c2ccccc2)ccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848396666 1054068207 /nfs/dbraw/zinc/06/82/07/1054068207.db2.gz TWDGTPAZGULYDW-SFHVURJKSA-N 1 0 321.424 4.012 20 30 DIEDRO CCOc1ccnc(CN(CCC#N)C2CCCCCCC2)c1 ZINC001232581381 1054074264 /nfs/dbraw/zinc/07/42/64/1054074264.db2.gz NMPQQALYJHOVPO-UHFFFAOYSA-N 1 0 315.461 4.309 20 30 DIEDRO CN(Cc1cccc(Cl)c1)Cc1ccc(Cl)cc1C#N ZINC001232607725 1054078937 /nfs/dbraw/zinc/07/89/37/1054078937.db2.gz VNIITAMBOYBWNC-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000184561404 1054081101 /nfs/dbraw/zinc/08/11/01/1054081101.db2.gz GKXVQKYZVVJCOS-UXHICEINSA-N 1 0 320.436 4.261 20 30 DIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@@H]1c1ccccc1 ZINC000184561436 1054081486 /nfs/dbraw/zinc/08/14/86/1054081486.db2.gz GKXVQKYZVVJCOS-WOJBJXKFSA-N 1 0 320.436 4.261 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001232609846 1054083091 /nfs/dbraw/zinc/08/30/91/1054083091.db2.gz WJIOEVPMPNOJMK-UHFFFAOYSA-N 1 0 306.812 4.316 20 30 DIEDRO C[N@H+](CC/C=C/c1cccnc1)Cc1ccc(Cl)cc1C#N ZINC001232609900 1054083223 /nfs/dbraw/zinc/08/32/23/1054083223.db2.gz YUDLSFTULVGMFA-GORDUTHDSA-N 1 0 311.816 4.142 20 30 DIEDRO C#CC[N@@H+](Cc1ccnc(Cl)c1C)[C@@H]1CCc2ccccc21 ZINC001232753135 1054115370 /nfs/dbraw/zinc/11/53/70/1054115370.db2.gz GXYYDUJBCQOODS-GOSISDBHSA-N 1 0 310.828 4.166 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1cc(C#N)ccc1F ZINC001332407808 1054116818 /nfs/dbraw/zinc/11/68/18/1054116818.db2.gz VERXZWJPLNTTBQ-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CCCc4ccccc43)CC2)s1 ZINC001232844395 1054130324 /nfs/dbraw/zinc/13/03/24/1054130324.db2.gz NPQQKJQKJFUHCC-UHFFFAOYSA-N 1 0 322.477 4.490 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)ccc1OC ZINC000622266631 1054135759 /nfs/dbraw/zinc/13/57/59/1054135759.db2.gz VMESJQMMVHMKDB-NVXWUHKLSA-N 1 0 303.446 4.318 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232888180 1054140260 /nfs/dbraw/zinc/14/02/60/1054140260.db2.gz DYUVAEWCSYXFAV-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO CCC[N@H+](Cc1ccc(Br)c(C#N)c1)[C@H](C)CC ZINC001232892750 1054141825 /nfs/dbraw/zinc/14/18/25/1054141825.db2.gz WCEPONIFYUEKNN-GFCCVEGCSA-N 1 0 309.251 4.331 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001232892960 1054141989 /nfs/dbraw/zinc/14/19/89/1054141989.db2.gz CKYLIDMTXWAZAL-UHFFFAOYSA-N 1 0 308.400 4.251 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC3(CCC3)CC2)ccc1Br ZINC001232894327 1054144604 /nfs/dbraw/zinc/14/46/04/1054144604.db2.gz XXICBZXQWKWVQU-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)ccc1Br ZINC001232899724 1054144753 /nfs/dbraw/zinc/14/47/53/1054144753.db2.gz UOAKZWGJBMHJQB-XJKSGUPXSA-N 1 0 319.246 4.085 20 30 DIEDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000848554169 1054146033 /nfs/dbraw/zinc/14/60/33/1054146033.db2.gz QSJQXXZOKJVTKK-OXQOHEQNSA-N 1 0 322.452 4.008 20 30 DIEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cncc(C#N)c1 ZINC001333179238 1054146246 /nfs/dbraw/zinc/14/62/46/1054146246.db2.gz SVDYBDODPHCVFX-LJQANCHMSA-N 1 0 323.440 4.229 20 30 DIEDRO N#CC1CCN(Cc2ccc(OCc3ccccc3)cc2F)CC1 ZINC001232919414 1054150304 /nfs/dbraw/zinc/15/03/04/1054150304.db2.gz SIJIBMJJRAHEPB-UHFFFAOYSA-N 1 0 324.399 4.140 20 30 DIEDRO C=CCCCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000848560583 1054151571 /nfs/dbraw/zinc/15/15/71/1054151571.db2.gz OMRLHEBBFMCQQQ-UHFFFAOYSA-N 1 0 302.462 4.000 20 30 DIEDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000848567349 1054153532 /nfs/dbraw/zinc/15/35/32/1054153532.db2.gz SXKPYNVSBJAJSU-OAHLLOKOSA-N 1 0 306.409 4.302 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N2CCC([NH+](CC)CC)CC2)c1 ZINC001333453169 1054154160 /nfs/dbraw/zinc/15/41/60/1054154160.db2.gz PTZZFGRHMTVYSE-UHFFFAOYSA-N 1 0 315.461 4.058 20 30 DIEDRO COc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1C ZINC000848568660 1054155072 /nfs/dbraw/zinc/15/50/72/1054155072.db2.gz NOBJUFZLYNWUOE-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(C#N)c1 ZINC001232969282 1054161520 /nfs/dbraw/zinc/16/15/20/1054161520.db2.gz NPIQOWSYTZTAPZ-FQEVSTJZSA-N 1 0 308.400 4.213 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3ccc(C)cc3C#N)CC2)c1 ZINC001232968970 1054162146 /nfs/dbraw/zinc/16/21/46/1054162146.db2.gz UQKIISFWOOCJPO-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(C#N)c1 ZINC001232969283 1054162318 /nfs/dbraw/zinc/16/23/18/1054162318.db2.gz NPIQOWSYTZTAPZ-HXUWFJFHSA-N 1 0 308.400 4.213 20 30 DIEDRO CC(C)(C)Oc1ccc([C@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)cc1 ZINC001233049679 1054177604 /nfs/dbraw/zinc/17/76/04/1054177604.db2.gz SNIPQRPDYCTPRP-KRWDZBQOSA-N 1 0 323.440 4.053 20 30 DIEDRO N#CCCN(Cc1csc(C(F)(F)F)c1)C1CCCC1 ZINC001233175397 1054196638 /nfs/dbraw/zinc/19/66/38/1054196638.db2.gz CODHMLOCZVVMJY-UHFFFAOYSA-N 1 0 302.365 4.425 20 30 DIEDRO C=C1CCC(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)CC1 ZINC001355965333 1054254216 /nfs/dbraw/zinc/25/42/16/1054254216.db2.gz SKNOYLMBTXOMGI-UHFFFAOYSA-N 1 0 312.457 4.276 20 30 DIEDRO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCCC1 ZINC001356079356 1054273363 /nfs/dbraw/zinc/27/33/63/1054273363.db2.gz WCNCRRUGGCAFAG-UHFFFAOYSA-N 1 0 312.457 4.357 20 30 DIEDRO CC(C)(C)[NH+]1CC(Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233512912 1054285737 /nfs/dbraw/zinc/28/57/37/1054285737.db2.gz RGNBCRJCXYKCSN-UHFFFAOYSA-N 1 0 306.409 4.087 20 30 DIEDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233512194 1054286633 /nfs/dbraw/zinc/28/66/33/1054286633.db2.gz LPWVMYOTFBKUGQ-HXUWFJFHSA-N 1 0 306.409 4.087 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)sc1C ZINC001233656546 1054323405 /nfs/dbraw/zinc/32/34/05/1054323405.db2.gz YNZLJQKUFWHQSA-UHFFFAOYSA-N 1 0 310.466 4.422 20 30 DIEDRO CCCCCCCCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000848991790 1054325367 /nfs/dbraw/zinc/32/53/67/1054325367.db2.gz FMAZNFZIABAJBX-UHFFFAOYSA-N 1 0 307.438 4.001 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001440205164 1054339788 /nfs/dbraw/zinc/33/97/88/1054339788.db2.gz VYPFEGDLPFELPF-INDMIFKZSA-N 1 0 322.537 4.220 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001440205162 1054340792 /nfs/dbraw/zinc/34/07/92/1054340792.db2.gz VYPFEGDLPFELPF-CADBVGFASA-N 1 0 322.537 4.220 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000849025413 1054345471 /nfs/dbraw/zinc/34/54/71/1054345471.db2.gz AENIVPQYZUTESO-HFTRVMKXSA-N 1 0 315.461 4.118 20 30 DIEDRO CC(C)COCCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849056593 1054365236 /nfs/dbraw/zinc/36/52/36/1054365236.db2.gz YSOUSVGAUZFIGG-UHFFFAOYSA-N 1 0 317.477 4.003 20 30 DIEDRO N#CC1(CCCC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CCC1 ZINC001340729154 1054366426 /nfs/dbraw/zinc/36/64/26/1054366426.db2.gz FVMZDGSJKDEPJY-OALUTQOASA-N 1 0 312.457 4.218 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](OC)c1ccc(F)cc1)c1ccco1 ZINC001340991350 1054374337 /nfs/dbraw/zinc/37/43/37/1054374337.db2.gz MKNSNKUBWONGGU-FUHWJXTLSA-N 1 0 303.377 4.403 20 30 DIEDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233860983 1054375815 /nfs/dbraw/zinc/37/58/15/1054375815.db2.gz KSHDVYHAGLTFRJ-FQEVSTJZSA-N 1 0 306.409 4.087 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC001233865838 1054376448 /nfs/dbraw/zinc/37/64/48/1054376448.db2.gz KFBAIUGDBHOSAN-LJQANCHMSA-N 1 0 306.409 4.088 20 30 DIEDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233860723 1054377510 /nfs/dbraw/zinc/37/75/10/1054377510.db2.gz HUQRKIBXGJYCGD-NRFANRHFSA-N 1 0 320.436 4.477 20 30 DIEDRO C#C[C@H](NC(=[NH2+])Nc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 ZINC000849084617 1054378602 /nfs/dbraw/zinc/37/86/02/1054378602.db2.gz BRVOUMZOLWRDMR-SFHVURJKSA-N 1 0 323.827 4.139 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC001341392970 1054386172 /nfs/dbraw/zinc/38/61/72/1054386172.db2.gz NTCOPVOXSVHLDY-FQEVSTJZSA-N 1 0 322.452 4.025 20 30 DIEDRO C=CCC(CC=C)c1nnc(-c2ccc(C[NH+](CC)CC)o2)o1 ZINC001341530613 1054392770 /nfs/dbraw/zinc/39/27/70/1054392770.db2.gz AXOPCDJONJXDMT-UHFFFAOYSA-N 1 0 315.417 4.407 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1ccc2cc(C#N)[nH]c2c1)c1ccccc1 ZINC001233995822 1054410670 /nfs/dbraw/zinc/41/06/70/1054410670.db2.gz FFXDAEORVIFKHY-HXUWFJFHSA-N 1 0 319.408 4.111 20 30 DIEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1-c1ccc(C)s1 ZINC001342356006 1054420522 /nfs/dbraw/zinc/42/05/22/1054420522.db2.gz XAANFVNBHBNGNS-HNNXBMFYSA-N 1 0 314.454 4.346 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001442558898 1054425282 /nfs/dbraw/zinc/42/52/82/1054425282.db2.gz LXCNABLQBDXIPQ-NRJHKNTJSA-N 1 0 320.521 4.380 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001443126632 1054441144 /nfs/dbraw/zinc/44/11/44/1054441144.db2.gz WCJUUISRAVOUND-QTJNJRLBSA-N 1 0 320.521 4.380 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC001343273532 1054441650 /nfs/dbraw/zinc/44/16/50/1054441650.db2.gz QOUYGEYAQNZTNT-TZIWHRDSSA-N 1 0 320.436 4.189 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001343831940 1054453993 /nfs/dbraw/zinc/45/39/93/1054453993.db2.gz OUGPGONZTSJAKZ-INIZCTEOSA-N 1 0 324.472 4.462 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC#N)c2)c2sccc21 ZINC001344430653 1054468793 /nfs/dbraw/zinc/46/87/93/1054468793.db2.gz YFSVYOAYSQFWRU-DYVFJYSZSA-N 1 0 312.438 4.379 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2F)C2CCC2)cc1F ZINC001473276734 1054476013 /nfs/dbraw/zinc/47/60/13/1054476013.db2.gz LOCWBODLIXAHKL-UHFFFAOYSA-N 1 0 312.363 4.391 20 30 DIEDRO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000072659102 1054485945 /nfs/dbraw/zinc/48/59/45/1054485945.db2.gz FQMSRIFCRPIQHY-SFHVURJKSA-N 1 0 321.468 4.147 20 30 DIEDRO CN(c1ccc(F)cc1)c1ccc(CN2CCC[C@@H](C#N)C2)cc1 ZINC001234298882 1054490026 /nfs/dbraw/zinc/49/00/26/1054490026.db2.gz HGEQCSOAHXQIKV-KRWDZBQOSA-N 1 0 323.415 4.329 20 30 DIEDRO C=CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001446502044 1054536760 /nfs/dbraw/zinc/53/67/60/1054536760.db2.gz FZFKCMRHKVLTIM-PKOBYXMFSA-N 1 0 314.473 4.075 20 30 DIEDRO C=C(CC(C)C)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC001347019124 1054555088 /nfs/dbraw/zinc/55/50/88/1054555088.db2.gz WZWWITQSJQEHMS-UHFFFAOYSA-N 1 0 323.440 4.427 20 30 DIEDRO C=C[C@@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)c1ccccc1 ZINC001447802077 1054576402 /nfs/dbraw/zinc/57/64/02/1054576402.db2.gz POSBPYJPVQUURK-HXUWFJFHSA-N 1 0 322.452 4.437 20 30 DIEDRO C=C(C)[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000623495486 1054609509 /nfs/dbraw/zinc/60/95/09/1054609509.db2.gz DRVWIVVHZOSOEP-WMLDXEAASA-N 1 0 308.416 4.044 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C)c(C)c2)c1 ZINC000073012341 1054614039 /nfs/dbraw/zinc/61/40/39/1054614039.db2.gz CSMMGFOPKVCMRX-IBGZPJMESA-N 1 0 308.425 4.274 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000073012338 1054614359 /nfs/dbraw/zinc/61/43/59/1054614359.db2.gz CUPQQXOZVNXDSH-QGZVFWFLSA-N 1 0 312.388 4.105 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(C)c2C)c1 ZINC000073012119 1054615081 /nfs/dbraw/zinc/61/50/81/1054615081.db2.gz TUKYCWVPOBHKCG-IBGZPJMESA-N 1 0 308.425 4.274 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001450355761 1054645452 /nfs/dbraw/zinc/64/54/52/1054645452.db2.gz VMSYIWPFICDNRT-YVNCXZRQSA-N 1 0 320.521 4.238 20 30 DIEDRO CC(C)C[C@H](CNc1ccc(C#N)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000495319842 1054710763 /nfs/dbraw/zinc/71/07/63/1054710763.db2.gz ULQMMYYMFXESIF-QFBILLFUSA-N 1 0 322.456 4.131 20 30 DIEDRO CC(C)C[C@H](CNc1ccc(C#N)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000495319843 1054711254 /nfs/dbraw/zinc/71/12/54/1054711254.db2.gz ULQMMYYMFXESIF-VQIMIIECSA-N 1 0 322.456 4.131 20 30 DIEDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3ccc(CC#N)cc3)C2)cc1 ZINC001473433979 1054713848 /nfs/dbraw/zinc/71/38/48/1054713848.db2.gz ZSENZXNMVKSQDG-UWJYYQICSA-N 1 0 304.437 4.439 20 30 DIEDRO C=CCN(C)CC[N@@H+](CC)CC1CCC(c2ccccc2)CC1 ZINC001473431311 1054717658 /nfs/dbraw/zinc/71/76/58/1054717658.db2.gz AGOJSXCLKDJDLO-UHFFFAOYSA-N 1 0 314.517 4.400 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)CCCC1(C)C ZINC001473433057 1054720823 /nfs/dbraw/zinc/72/08/23/1054720823.db2.gz QUSGVMMBJQIWCI-ROUUACIJSA-N 1 0 321.892 4.310 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2nc(CCC(C)C)no2)CCCC1(C)C ZINC001473432150 1054721361 /nfs/dbraw/zinc/72/13/61/1054721361.db2.gz JWYGDTSRQFHLDX-HNNXBMFYSA-N 1 0 305.466 4.225 20 30 DIEDRO C=CC[C@H]1[N@@H+](CCOCCOc2ccccc2)CCCC1(C)C ZINC001473431897 1054721439 /nfs/dbraw/zinc/72/14/39/1054721439.db2.gz IJEFYKQSWDXLHE-LJQANCHMSA-N 1 0 317.473 4.149 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccsc1C(=O)OC)c1ccccc1 ZINC000180040405 1054728632 /nfs/dbraw/zinc/72/86/32/1054728632.db2.gz WKOCRHILLAJSQS-INIZCTEOSA-N 1 0 315.438 4.332 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000180037411 1054728966 /nfs/dbraw/zinc/72/89/66/1054728966.db2.gz OCYKJWPDYSXJMW-IBGZPJMESA-N 1 0 308.425 4.231 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1 ZINC000180039015 1054730044 /nfs/dbraw/zinc/73/00/44/1054730044.db2.gz OLPOKSPBZUERHC-LJQANCHMSA-N 1 0 306.409 4.364 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001235524906 1054738299 /nfs/dbraw/zinc/73/82/99/1054738299.db2.gz CDNYEROVIHYQPX-SFHVURJKSA-N 1 0 310.828 4.396 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001235529131 1054738499 /nfs/dbraw/zinc/73/84/99/1054738499.db2.gz XJNFFEXOCVRQJJ-FQEVSTJZSA-N 1 0 308.400 4.099 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1-c1ccncc1)C1CCCC1 ZINC001235619416 1054758014 /nfs/dbraw/zinc/75/80/14/1054758014.db2.gz STYSZOBCXSZQJI-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO CC(C)(C)c1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(O)c1 ZINC001235676435 1054770958 /nfs/dbraw/zinc/77/09/58/1054770958.db2.gz SLARZHWGEVSWOS-UHFFFAOYSA-N 1 0 320.436 4.120 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001454892767 1054786900 /nfs/dbraw/zinc/78/69/00/1054786900.db2.gz RWRHWBKIHGZEKP-JKIKYLSZSA-N 1 0 322.537 4.482 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001474153112 1054789789 /nfs/dbraw/zinc/78/97/89/1054789789.db2.gz VGZZDGJKCJUMPK-UHFFFAOYSA-N 1 0 307.290 4.116 20 30 DIEDRO CCCCCCCOc1ccc(CN2CCC(C)([NH3+])CC2)cc1 ZINC001235748101 1054799045 /nfs/dbraw/zinc/79/90/45/1054799045.db2.gz IPNCVHDIALLEAL-UHFFFAOYSA-N 1 0 318.505 4.349 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623915574 1054817777 /nfs/dbraw/zinc/81/77/77/1054817777.db2.gz JRCZNIPNPAUKFD-UWVGGRQHSA-N 1 0 306.759 4.239 20 30 DIEDRO C#CC[N@H+](Cc1ccc2c(c1)NCCC2)[C@@H]1CCc2ccccc21 ZINC001235834955 1054818167 /nfs/dbraw/zinc/81/81/67/1054818167.db2.gz QRPMQFMMTLGBGX-JOCHJYFZSA-N 1 0 316.448 4.167 20 30 DIEDRO N#Cc1cc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)ccc1F ZINC001235893900 1054832884 /nfs/dbraw/zinc/83/28/84/1054832884.db2.gz PTALRPKUKKTKOI-UHFFFAOYSA-N 1 0 304.368 4.012 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCC#Cc2ccccc2)cc1 ZINC000849100157 1054837634 /nfs/dbraw/zinc/83/76/34/1054837634.db2.gz ZLSGKISATVNIDF-INIZCTEOSA-N 1 0 305.425 4.188 20 30 DIEDRO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623969228 1054842682 /nfs/dbraw/zinc/84/26/82/1054842682.db2.gz ZGYNZIFWDXKLRU-ZETCQYMHSA-N 1 0 319.220 4.032 20 30 DIEDRO C=C(CC)C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623996697 1054850885 /nfs/dbraw/zinc/85/08/85/1054850885.db2.gz OVYUPJLHCXKBNW-JTQLQIEISA-N 1 0 306.759 4.241 20 30 DIEDRO Cc1ccc(C#N)nc1-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236005954 1054890831 /nfs/dbraw/zinc/89/08/31/1054890831.db2.gz VSANZKSCFNHHNH-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO N#Cc1c(F)cccc1-c1cccc(C[NH+]2CCCCC2)c1F ZINC001236012713 1054896634 /nfs/dbraw/zinc/89/66/34/1054896634.db2.gz TYOADLJMCACKPG-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)cc1 ZINC001236192204 1054989651 /nfs/dbraw/zinc/98/96/51/1054989651.db2.gz OHCFCRMQXVAVOP-NRFANRHFSA-N 1 0 300.405 4.486 20 30 DIEDRO Cc1ccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)nc1C#N ZINC001236233886 1055025438 /nfs/dbraw/zinc/02/54/38/1055025438.db2.gz VMFKFFBBXDOCCB-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO N#Cc1c(F)cccc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001236248198 1055032371 /nfs/dbraw/zinc/03/23/71/1055032371.db2.gz GIEBPWCZZANSCR-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO O/N=C/c1cccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001236251562 1055035150 /nfs/dbraw/zinc/03/51/50/1055035150.db2.gz RAYRDGQLBVXYIT-FYJGNVAPSA-N 1 0 312.388 4.287 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2[nH]ccc3ncc(C#N)c2-3)c1 ZINC001236318385 1055055364 /nfs/dbraw/zinc/05/53/64/1055055364.db2.gz RVLKTKOWHKLPPV-UHFFFAOYSA-N 1 0 322.387 4.082 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(c3ccc(N)cc3)CC2)c1 ZINC001236335864 1055064443 /nfs/dbraw/zinc/06/44/43/1055064443.db2.gz UQMHINBJRRLFMM-UHFFFAOYSA-N 1 0 322.452 4.213 20 30 DIEDRO N#CCc1ccc(-c2cccc3c2CC[NH2+]C3)cc1C(F)(F)F ZINC001236353454 1055070680 /nfs/dbraw/zinc/07/06/80/1055070680.db2.gz ORGOVEHKTGZEFZ-UHFFFAOYSA-N 1 0 316.326 4.084 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000184971000 1055084696 /nfs/dbraw/zinc/08/46/96/1055084696.db2.gz IMHGMVBYKUDMTF-DLBZAZTESA-N 1 0 309.438 4.065 20 30 DIEDRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)C#N)cc1 ZINC000185574600 1055093819 /nfs/dbraw/zinc/09/38/19/1055093819.db2.gz VEPNCZZEBXKNDG-DLBZAZTESA-N 1 0 300.446 4.102 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(C3(C#N)CCC3)cn2)cc1 ZINC001236424852 1055106823 /nfs/dbraw/zinc/10/68/23/1055106823.db2.gz CNXSQVKWBYFPIS-UHFFFAOYSA-N 1 0 319.452 4.439 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+]CC(C)C)cc2)c(C#N)c(C)c1C ZINC001236429195 1055110671 /nfs/dbraw/zinc/11/06/71/1055110671.db2.gz HUOBAGRKLCFAJP-UHFFFAOYSA-N 1 0 307.441 4.291 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2cc(/C=N/O)ccc2F)cc1 ZINC001236448477 1055119452 /nfs/dbraw/zinc/11/94/52/1055119452.db2.gz RVLLNGHIANLYLN-CIAFOILYSA-N 1 0 300.377 4.046 20 30 DIEDRO Cc1nccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C#N ZINC001236472804 1055132034 /nfs/dbraw/zinc/13/20/34/1055132034.db2.gz JEQQDBFCYNEAOA-MOPGFXCFSA-N 1 0 315.420 4.082 20 30 DIEDRO C=CCCC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001536600537 1055138332 /nfs/dbraw/zinc/13/83/32/1055138332.db2.gz ZYOAEHYRQOVDRV-MOPGFXCFSA-N 1 0 314.473 4.073 20 30 DIEDRO C=CCCCCN(Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236492656 1055145587 /nfs/dbraw/zinc/14/55/87/1055145587.db2.gz NXHYFXDYHYNROQ-UHFFFAOYSA-N 1 0 304.453 4.044 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2ccc(C#N)cc2F)c1F ZINC001236534537 1055167034 /nfs/dbraw/zinc/16/70/34/1055167034.db2.gz HTBNUTXNBRYPQJ-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO COc1ccc(C#N)cc1-c1ccccc1C[NH+]1CCCCC1 ZINC001236542382 1055173337 /nfs/dbraw/zinc/17/33/37/1055173337.db2.gz CBIATGZISYFIOH-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccccc1Oc1c(C)cccc1C ZINC000764428258 1055181227 /nfs/dbraw/zinc/18/12/27/1055181227.db2.gz VNDCPLFJRSAYLL-UHFFFAOYSA-N 1 0 324.424 4.152 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000764548672 1055207246 /nfs/dbraw/zinc/20/72/46/1055207246.db2.gz USYKLAVWYJYTAK-KGLIPLIRSA-N 1 0 315.363 4.389 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cccc(C(=O)OCC)n1 ZINC001236645716 1055211076 /nfs/dbraw/zinc/21/10/76/1055211076.db2.gz XKJZFZATYIVARW-UHFFFAOYSA-N 1 0 306.450 4.051 20 30 DIEDRO COc1ccc2sc(C[NH+]3CCC(CC#N)CC3)cc2c1 ZINC001236662528 1055216540 /nfs/dbraw/zinc/21/65/40/1055216540.db2.gz OPPFCNJAMVLVHV-UHFFFAOYSA-N 1 0 300.427 4.036 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2ccco2)cc1 ZINC000764592317 1055218350 /nfs/dbraw/zinc/21/83/50/1055218350.db2.gz YEBKLSBIVTZZTL-CQSZACIVSA-N 1 0 305.805 4.304 20 30 DIEDRO CCCCCCCCCC[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC001620835359 1055223475 /nfs/dbraw/zinc/22/34/75/1055223475.db2.gz FMHMUJNLOJJDHX-SJORKVTESA-N 1 0 315.473 4.350 20 30 DIEDRO C=CC1(CC(=O)NC2CCC(C)([NH+]3CCC3)CC2)CCCCC1 ZINC001537194552 1055251852 /nfs/dbraw/zinc/25/18/52/1055251852.db2.gz RGVOLODQDMKEQQ-UHFFFAOYSA-N 1 0 318.505 4.036 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)cc2)cc1 ZINC000764847164 1055269679 /nfs/dbraw/zinc/26/96/79/1055269679.db2.gz DEUOOWMWCJBLIP-KRWDZBQOSA-N 1 0 323.436 4.337 20 30 DIEDRO CCC(CC)[N@H+](CC)Cc1ccc(C#N)c(Br)c1 ZINC001236862038 1055295118 /nfs/dbraw/zinc/29/51/18/1055295118.db2.gz MQQNOGOHMRMEFP-UHFFFAOYSA-N 1 0 309.251 4.331 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC23CCCCC3)cc1Br ZINC001236858985 1055296614 /nfs/dbraw/zinc/29/66/14/1055296614.db2.gz YBRJCLGBTNCIKD-UHFFFAOYSA-N 1 0 319.246 4.229 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cccc(-n2cncn2)c1 ZINC001236883731 1055303038 /nfs/dbraw/zinc/30/30/38/1055303038.db2.gz HXHCOYZUSNXKHR-UHFFFAOYSA-N 1 0 300.450 4.060 20 30 DIEDRO C=CC[N@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)C(C)(C)C ZINC001236908384 1055310823 /nfs/dbraw/zinc/31/08/23/1055310823.db2.gz HJSBYTLBPMMMRO-UHFFFAOYSA-N 1 0 303.837 4.312 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(C)c3C)nc2)C1 ZINC001236988677 1055324527 /nfs/dbraw/zinc/32/45/27/1055324527.db2.gz JNNFOCLEEKJTMX-GOSISDBHSA-N 1 0 304.437 4.211 20 30 DIEDRO Cc1cccc(-c2ccc(CN3CC[C@](C)(C#N)C3)cn2)c1C ZINC001236986319 1055325975 /nfs/dbraw/zinc/32/59/75/1055325975.db2.gz UQEKWBLPJGHWIZ-HXUWFJFHSA-N 1 0 305.425 4.101 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(OC(C)C)c2)cc1 ZINC000765094334 1055327528 /nfs/dbraw/zinc/32/75/28/1055327528.db2.gz DSYVHSNACLHYAO-QGZVFWFLSA-N 1 0 323.436 4.337 20 30 DIEDRO CCCCCCCCCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001563615373 1055380903 /nfs/dbraw/zinc/38/09/03/1055380903.db2.gz ARKDLGLHAFBECL-UHFFFAOYSA-N 1 0 323.525 4.053 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CSCc3ccccc32)cc1 ZINC000765428751 1055388344 /nfs/dbraw/zinc/38/83/44/1055388344.db2.gz YRPZYNVWJNEDCH-FOIQADDNSA-N 1 0 323.461 4.337 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OC)cc2)cc1 ZINC000765460730 1055395893 /nfs/dbraw/zinc/39/58/93/1055395893.db2.gz JRVQJGFTTDALTD-HZPDHXFCSA-N 1 0 309.409 4.119 20 30 DIEDRO C[C@H](c1ccccc1)N(CCCCCC[NH3+])C1=CC(=O)CCC1 ZINC001237192882 1055398591 /nfs/dbraw/zinc/39/85/91/1055398591.db2.gz ZVIRIZVJUNTCKQ-QGZVFWFLSA-N 1 0 314.473 4.206 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)cc1 ZINC001237245871 1055406878 /nfs/dbraw/zinc/40/68/78/1055406878.db2.gz JTHLJDZLXUZOQK-UYAOXDASSA-N 1 0 322.839 4.105 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2-c2ccccc2)C1 ZINC001237311720 1055424784 /nfs/dbraw/zinc/42/47/84/1055424784.db2.gz RUOSEKAUDRKADP-KRWDZBQOSA-N 1 0 305.421 4.207 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccs2)c2cc(C#N)ccc21 ZINC001237471141 1055457813 /nfs/dbraw/zinc/45/78/13/1055457813.db2.gz PCGAAPKECNLXSC-SFHVURJKSA-N 1 0 321.449 4.449 20 30 DIEDRO C#CC[N@@H+](Cc1cccc(C)c1OC)[C@@H]1CCc2ccccc21 ZINC001237515125 1055463455 /nfs/dbraw/zinc/46/34/55/1055463455.db2.gz WGPMAZYETKKILC-HXUWFJFHSA-N 1 0 305.421 4.126 20 30 DIEDRO N#Cc1cc(CN2CCC[C@H]2c2ccc(F)cc2)c(F)cc1F ZINC001237524117 1055467750 /nfs/dbraw/zinc/46/77/50/1055467750.db2.gz GBYIHGWSAAIRDX-SFHVURJKSA-N 1 0 316.326 4.313 20 30 DIEDRO C[N@H+](Cc1cc(C#N)c(F)cc1F)C(C)(C)Cc1ccccc1 ZINC001237531238 1055469132 /nfs/dbraw/zinc/46/91/32/1055469132.db2.gz XSRVNUBHIDNRBI-UHFFFAOYSA-N 1 0 314.379 4.290 20 30 DIEDRO CC(C)[N@H+](Cc1cn2cc(C#N)ccc2n1)[C@@H](C)c1ccccc1 ZINC001237610090 1055484882 /nfs/dbraw/zinc/48/48/82/1055484882.db2.gz HYFGXJDXAURYNW-INIZCTEOSA-N 1 0 318.424 4.178 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC001620858013 1055486666 /nfs/dbraw/zinc/48/66/66/1055486666.db2.gz GXSQOJGHPQAPRE-SNVBAGLBSA-N 1 0 323.259 4.237 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1Cl ZINC001620879211 1055506612 /nfs/dbraw/zinc/50/66/12/1055506612.db2.gz ODWGZKGDRUDANA-INIZCTEOSA-N 1 0 323.864 4.341 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001237751679 1055523298 /nfs/dbraw/zinc/52/32/98/1055523298.db2.gz OOBRWSSGOQIPLU-MRXNPFEDSA-N 1 0 310.828 4.276 20 30 DIEDRO C=CCSCC[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC001620896894 1055523887 /nfs/dbraw/zinc/52/38/87/1055523887.db2.gz GQUBPGUWSDDORD-UHFFFAOYSA-N 1 0 313.466 4.274 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(OC)c1C(F)(F)F ZINC001237766928 1055525420 /nfs/dbraw/zinc/52/54/20/1055525420.db2.gz GRXWMKMVIQQRCA-UHFFFAOYSA-N 1 0 317.351 4.121 20 30 DIEDRO CC1(C)CCC2(CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)O1 ZINC001237754553 1055526853 /nfs/dbraw/zinc/52/68/53/1055526853.db2.gz WKOOHOHZYFGNQE-UHFFFAOYSA-N 1 0 318.848 4.135 20 30 DIEDRO C[N@H+](CCc1ccccc1F)Cc1cc(Cl)cc(C#N)c1 ZINC001237755824 1055527079 /nfs/dbraw/zinc/52/70/79/1055527079.db2.gz UDJDOSYEBVEDRE-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCCC(C)(C)C2)cc(OC)c1O ZINC001620904583 1055529748 /nfs/dbraw/zinc/52/97/48/1055529748.db2.gz JTEKVLRZSABXRW-INIZCTEOSA-N 1 0 303.446 4.188 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001620910704 1055535323 /nfs/dbraw/zinc/53/53/23/1055535323.db2.gz CKGXYRSTIXFTBH-UHFFFAOYSA-N 1 0 300.368 4.217 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001620916208 1055539998 /nfs/dbraw/zinc/53/99/98/1055539998.db2.gz IOWVRYKYHHMUEC-MRXNPFEDSA-N 1 0 300.377 4.457 20 30 DIEDRO CCC1(CC)CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC001620920900 1055543367 /nfs/dbraw/zinc/54/33/67/1055543367.db2.gz GXKNVKUOMYJMTD-UHFFFAOYSA-N 1 0 300.446 4.405 20 30 DIEDRO C[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001620924832 1055545037 /nfs/dbraw/zinc/54/50/37/1055545037.db2.gz NYHPNEWZSJXUDC-KRWDZBQOSA-N 1 0 313.489 4.485 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C1 ZINC001620933548 1055548639 /nfs/dbraw/zinc/54/86/39/1055548639.db2.gz YBIHSZPRBYUHAK-CJNGLKHVSA-N 1 0 309.400 4.457 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC001620938939 1055552841 /nfs/dbraw/zinc/55/28/41/1055552841.db2.gz QRVKKDPQLUAIKG-UHFFFAOYSA-N 1 0 317.864 4.195 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cccc3c(OC)cccc23)cc1 ZINC001620942696 1055555063 /nfs/dbraw/zinc/55/50/63/1055555063.db2.gz RSRFEBPEOBFWTF-UHFFFAOYSA-N 1 0 301.389 4.120 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C(C)(C)C2CCC2)ccc1OC ZINC001620943077 1055556689 /nfs/dbraw/zinc/55/66/89/1055556689.db2.gz HXNXJDIPKBHJSC-UHFFFAOYSA-N 1 0 303.446 4.318 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC001620948444 1055562834 /nfs/dbraw/zinc/56/28/34/1055562834.db2.gz GIOCRDXJKRGUBC-MRXNPFEDSA-N 1 0 308.450 4.154 20 30 DIEDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)cc1C#N ZINC001620950101 1055565016 /nfs/dbraw/zinc/56/50/16/1055565016.db2.gz PPKVIAKBPSZDTM-UYAOXDASSA-N 1 0 320.436 4.240 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC001620950038 1055565754 /nfs/dbraw/zinc/56/57/54/1055565754.db2.gz NDUCXYZRTFGYAR-CTNGQTDRSA-N 1 0 319.448 4.372 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC001620954594 1055575096 /nfs/dbraw/zinc/57/50/96/1055575096.db2.gz ZGLHLRYICWZIEP-UAPYVXQJSA-N 1 0 311.400 4.426 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@]2(C)CCCC[C@H]2C)cc(OC)c1O ZINC001620959580 1055590740 /nfs/dbraw/zinc/59/07/40/1055590740.db2.gz DQMJCJGWLGRHRE-KUHUBIRLSA-N 1 0 303.446 4.188 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001238128491 1055609290 /nfs/dbraw/zinc/60/92/90/1055609290.db2.gz ADZFWXLWEZPWLJ-UHFFFAOYSA-N 1 0 318.461 4.456 20 30 DIEDRO N#Cc1cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)ccc1Cl ZINC001238193153 1055617740 /nfs/dbraw/zinc/61/77/40/1055617740.db2.gz YPOSEPXTBSMMOV-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2cccs2)n1 ZINC001238214048 1055621998 /nfs/dbraw/zinc/62/19/98/1055621998.db2.gz RZBBJNIQXPFALR-MKZZRHPPSA-N 1 0 309.438 4.077 20 30 DIEDRO CCCCCCC[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC001168563940 1055624990 /nfs/dbraw/zinc/62/49/90/1055624990.db2.gz QWASPFCVKSZMAQ-KRWDZBQOSA-N 1 0 305.462 4.487 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(C)cc1Br ZINC001238280411 1055633762 /nfs/dbraw/zinc/63/37/62/1055633762.db2.gz BALTYFPKESZCIX-CQSZACIVSA-N 1 0 321.262 4.192 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)cc(Br)c1OC ZINC001238319896 1055638585 /nfs/dbraw/zinc/63/85/85/1055638585.db2.gz CVYDLIKGEDTXSB-UHFFFAOYSA-N 1 0 312.251 4.164 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(F)c2OCc2ccccc2)C1 ZINC001238338077 1055641485 /nfs/dbraw/zinc/64/14/85/1055641485.db2.gz NRFWPGQAFDLRBN-KRWDZBQOSA-N 1 0 323.411 4.250 20 30 DIEDRO COc1cc(C[N@H+](Cc2cccc(C)c2C)C2CC2)ccc1C#N ZINC001238414926 1055652778 /nfs/dbraw/zinc/65/27/78/1055652778.db2.gz CFAJGKAVCPMYEM-UHFFFAOYSA-N 1 0 320.436 4.348 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC001238414883 1055653901 /nfs/dbraw/zinc/65/39/01/1055653901.db2.gz YPDYSCNJWZRCRY-IBGZPJMESA-N 1 0 306.409 4.076 20 30 DIEDRO Cc1ccc(OC(C)C)cc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001238475490 1055668094 /nfs/dbraw/zinc/66/80/94/1055668094.db2.gz FLCFNSYUGJHOID-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)cc(OC)c1O ZINC001620967022 1055703233 /nfs/dbraw/zinc/70/32/33/1055703233.db2.gz QGDZZUMPFXAUCS-IRXDYDNUSA-N 1 0 317.473 4.434 20 30 DIEDRO COc1cc(F)ccc1-c1cccc(CN2CCC[C@@H](C#N)C2)c1 ZINC001238630491 1055703864 /nfs/dbraw/zinc/70/38/64/1055703864.db2.gz DVOJLXRREWFCCO-INIZCTEOSA-N 1 0 324.399 4.237 20 30 DIEDRO C=CCC1(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CCCCC1 ZINC001565606732 1055712570 /nfs/dbraw/zinc/71/25/70/1055712570.db2.gz GRNSPPWXJJMLDF-SFHVURJKSA-N 1 0 322.537 4.386 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC001238683300 1055721391 /nfs/dbraw/zinc/72/13/91/1055721391.db2.gz ALUKLZVWBUCFHS-UHFFFAOYSA-N 1 0 310.828 4.247 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001620968495 1055721986 /nfs/dbraw/zinc/72/19/86/1055721986.db2.gz YSMDIXWIUHVXMN-NHCUHLMSSA-N 1 0 321.464 4.330 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(OCCC)c(OCC)c2)c1 ZINC001620969066 1055732664 /nfs/dbraw/zinc/73/26/64/1055732664.db2.gz XRPGHNYUHDNKAE-UHFFFAOYSA-N 1 0 323.436 4.145 20 30 DIEDRO CCc1cc(C[NH+]2CCC3(CC(F)(F)C3)CC2)ccc1C#N ZINC001238759863 1055741700 /nfs/dbraw/zinc/74/17/00/1055741700.db2.gz BCXHISDQVHGTIU-UHFFFAOYSA-N 1 0 304.384 4.132 20 30 DIEDRO CCc1cc(C[N@H+](C)[C@H](C)Cc2ccccc2OC)ccc1C#N ZINC001238767411 1055743708 /nfs/dbraw/zinc/74/37/08/1055743708.db2.gz BMCYLDDMQUWYAQ-MRXNPFEDSA-N 1 0 322.452 4.192 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC001566161925 1055745404 /nfs/dbraw/zinc/74/54/04/1055745404.db2.gz XLHMBQGUKSRHQU-NZHZHZHDSA-N 1 0 308.510 4.236 20 30 DIEDRO CCc1cc(C[N@H+](C)Cc2cccc3cccnc32)ccc1C#N ZINC001238770316 1055747503 /nfs/dbraw/zinc/74/75/03/1055747503.db2.gz ARJWXQAQDGDPMZ-UHFFFAOYSA-N 1 0 315.420 4.301 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC001168578816 1055754996 /nfs/dbraw/zinc/75/49/96/1055754996.db2.gz FMIAWGWURRTWQY-LEWJYISDSA-N 1 0 322.452 4.359 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)[C@@H]([NH3+])CC2 ZINC001238845398 1055765905 /nfs/dbraw/zinc/76/59/05/1055765905.db2.gz NLHKYYLHKQIEGP-INIZCTEOSA-N 1 0 302.299 4.190 20 30 DIEDRO C[N@@H+]1CCc2cc(-c3ccc(C(F)(F)F)cc3C#N)ccc2C1 ZINC001238845792 1055767872 /nfs/dbraw/zinc/76/78/72/1055767872.db2.gz RXALIMBFYQZFGH-UHFFFAOYSA-N 1 0 316.326 4.232 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC001566428953 1055773530 /nfs/dbraw/zinc/77/35/30/1055773530.db2.gz OWXZASXBMOSGGR-HWOXTHGCSA-N 1 0 308.510 4.236 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cnc(C#N)c(F)c2)nc1 ZINC001238992244 1055816316 /nfs/dbraw/zinc/81/63/16/1055816316.db2.gz GUONXEGYXCYWTJ-LJQANCHMSA-N 1 0 324.403 4.091 20 30 DIEDRO C=CCCC[C@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001597536976 1055843438 /nfs/dbraw/zinc/84/34/38/1055843438.db2.gz CIZVGPNASZFBBN-KRWDZBQOSA-N 1 0 314.473 4.147 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)Nc1ccc2c(c1)CC[NH2+]C2 ZINC001239190962 1055846393 /nfs/dbraw/zinc/84/63/93/1055846393.db2.gz ZZEDZQDAURYULP-HNNXBMFYSA-N 1 0 317.477 4.203 20 30 DIEDRO CCCCCCCNC(=O)Nc1ccccc1C1=CC[NH2+]CC1 ZINC001239196394 1055847464 /nfs/dbraw/zinc/84/74/64/1055847464.db2.gz SBZBKIFDTFJGRZ-UHFFFAOYSA-N 1 0 315.461 4.155 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(/C=C/c2ccc(C#N)cc2)nc1 ZINC001239283643 1055858550 /nfs/dbraw/zinc/85/85/50/1055858550.db2.gz DRFZQZQLXWFWRB-KAMXEHQASA-N 1 0 317.436 4.498 20 30 DIEDRO N#Cc1ccc(/C=C/c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001239303249 1055862876 /nfs/dbraw/zinc/86/28/76/1055862876.db2.gz NLRHRNDYTMVHJQ-ONEGZZNKSA-N 1 0 318.420 4.203 20 30 DIEDRO CCCCCCCCNC(=O)N(C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239304590 1055862889 /nfs/dbraw/zinc/86/28/89/1055862889.db2.gz MHQRJAVFQVEFFT-SAABIXHNSA-N 1 0 323.525 4.181 20 30 DIEDRO CCCCCCCCOC(=O)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001239330503 1055873366 /nfs/dbraw/zinc/87/33/66/1055873366.db2.gz VJOWBWIEYKYBDL-GOSISDBHSA-N 1 0 310.482 4.092 20 30 DIEDRO CCCCCCCCCNC(=S)Nc1ccccc1C[NH3+] ZINC001239343617 1055876777 /nfs/dbraw/zinc/87/67/77/1055876777.db2.gz FSHCEPAYVABPPP-UHFFFAOYSA-N 1 0 307.507 4.182 20 30 DIEDRO CCCCCCCNC(=S)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001239344870 1055877258 /nfs/dbraw/zinc/87/72/58/1055877258.db2.gz ZLYBSTXYAGAXRG-UHFFFAOYSA-N 1 0 319.518 4.281 20 30 DIEDRO C=CCN(C(=O)c1ccc(NC2=[NH+]CCC2)cc1)c1ccccc1 ZINC001569992201 1055881802 /nfs/dbraw/zinc/88/18/02/1055881802.db2.gz WPZQJQRTJZVHRL-UHFFFAOYSA-N 1 0 319.408 4.124 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)CCN1CCCc2ccccc21 ZINC001615743605 1055933648 /nfs/dbraw/zinc/93/36/48/1055933648.db2.gz ARAZBOWUIHPMGH-UHFFFAOYSA-N 1 0 313.489 4.091 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2Br)C1 ZINC001620783845 1055957377 /nfs/dbraw/zinc/95/73/77/1055957377.db2.gz DJADOTQWTGGOKL-TZMCWYRMSA-N 1 0 324.262 4.292 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2(c3ccccc3F)CCC2)cc1 ZINC001620984570 1055957360 /nfs/dbraw/zinc/95/73/60/1055957360.db2.gz WWDMAZMXYNJGPA-UHFFFAOYSA-N 1 0 323.411 4.397 20 30 DIEDRO C=CCC1([NH2+]Cc2cncc(Br)c2)CCCCC1 ZINC001620499966 1055958203 /nfs/dbraw/zinc/95/82/03/1055958203.db2.gz NIKKGPHBFUHVSQ-UHFFFAOYSA-N 1 0 309.251 4.213 20 30 DIEDRO C=CCC1([NH2+]CCC(=O)Nc2ccc(F)cc2)CCCCC1 ZINC001620500211 1055958506 /nfs/dbraw/zinc/95/85/06/1055958506.db2.gz YISIOHVDTRZBHE-UHFFFAOYSA-N 1 0 304.409 4.023 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCCCO2)cc1Cl ZINC001620987353 1055960039 /nfs/dbraw/zinc/96/00/39/1055960039.db2.gz RUPLTIZGELMFSZ-WMZOPIPTSA-N 1 0 323.864 4.342 20 30 DIEDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001621001338 1055969142 /nfs/dbraw/zinc/96/91/42/1055969142.db2.gz JRORROZTAZKPTQ-HXUWFJFHSA-N 1 0 322.427 4.492 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)CCCC1 ZINC001621004223 1055971322 /nfs/dbraw/zinc/97/13/22/1055971322.db2.gz ORUVEKOBRHNEJH-UHFFFAOYSA-N 1 0 324.472 4.192 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC001620794573 1055971986 /nfs/dbraw/zinc/97/19/86/1055971986.db2.gz USLNLVRZPCTUFU-NRFANRHFSA-N 1 0 307.437 4.362 20 30 DIEDRO C=CCCC[N@@H+](CC)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001620646814 1055976724 /nfs/dbraw/zinc/97/67/24/1055976724.db2.gz REYSTOZIKHNNBL-UHFFFAOYSA-N 1 0 323.864 4.332 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001621016443 1055981190 /nfs/dbraw/zinc/98/11/90/1055981190.db2.gz GADKHJHSBKLDMJ-UHFFFAOYSA-N 1 0 301.352 4.406 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC001620709294 1055983238 /nfs/dbraw/zinc/98/32/38/1055983238.db2.gz AXFXRYDGPRAGIW-HXUWFJFHSA-N 1 0 307.437 4.228 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CC12CCCCC2 ZINC001621019368 1055987340 /nfs/dbraw/zinc/98/73/40/1055987340.db2.gz IUHNCBZHAIRPRN-KRWDZBQOSA-N 1 0 303.833 4.164 20 30 DIEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001621023366 1055988980 /nfs/dbraw/zinc/98/89/80/1055988980.db2.gz HWILDMCIGXVSNR-OAQYLSRUSA-N 1 0 307.437 4.098 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2cn(C(F)F)c3ccccc23)cc1 ZINC001621028681 1055992725 /nfs/dbraw/zinc/99/27/25/1055992725.db2.gz LYSPMOJSFCSLBG-UHFFFAOYSA-N 1 0 311.335 4.198 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)cc1OC ZINC001620798261 1055992924 /nfs/dbraw/zinc/99/29/24/1055992924.db2.gz YVXKWIJQXRPKDB-YQQAZPJKSA-N 1 0 303.446 4.174 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC[C@H]2CC=CCC2)ccc1OC ZINC001621032975 1055994491 /nfs/dbraw/zinc/99/44/91/1055994491.db2.gz VCAMNMNDYZOTDO-KRWDZBQOSA-N 1 0 315.457 4.486 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC[C@@H]2CC=CCC2)ccc1OC ZINC001621032976 1055994923 /nfs/dbraw/zinc/99/49/23/1055994923.db2.gz VCAMNMNDYZOTDO-QGZVFWFLSA-N 1 0 315.457 4.486 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCCc2c(cccc2OC)C1)c1ccncc1 ZINC001620799772 1055995403 /nfs/dbraw/zinc/99/54/03/1055995403.db2.gz KIMNTKGSQDHENP-UYAOXDASSA-N 1 0 322.452 4.245 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC[C@H]1CC=CCC1 ZINC001621033362 1055996298 /nfs/dbraw/zinc/99/62/98/1055996298.db2.gz ICHOLSNDQXPUOZ-HNNXBMFYSA-N 1 0 303.833 4.188 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccccc1 ZINC001621048462 1056009098 /nfs/dbraw/zinc/00/90/98/1056009098.db2.gz LWGKZMPQCZGBLX-IBGZPJMESA-N 1 0 323.484 4.486 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1nc(-c2ccccc2)ccc1C#N ZINC001239680226 1056023166 /nfs/dbraw/zinc/02/31/66/1056023166.db2.gz OZGNOJSOBDRZOB-UHFFFAOYSA-N 1 0 313.404 4.349 20 30 DIEDRO C[NH+](C)Cc1ccccc1-c1nc2c(cc1C#N)CCCC2(C)C ZINC001239681891 1056024525 /nfs/dbraw/zinc/02/45/25/1056024525.db2.gz RPQWPULWSXXHNE-UHFFFAOYSA-N 1 0 319.452 4.296 20 30 DIEDRO C=CCC1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC001540408962 1056027538 /nfs/dbraw/zinc/02/75/38/1056027538.db2.gz IEIGZVSJTVXFAT-UHFFFAOYSA-N 1 0 320.521 4.284 20 30 DIEDRO Clc1ccc(CCCC[NH2+]CC#Cc2ccccc2)s1 ZINC001621330284 1056035390 /nfs/dbraw/zinc/03/53/90/1056035390.db2.gz FEFWRWFPFQZCDC-UHFFFAOYSA-N 1 0 303.858 4.366 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCCc3ccc(F)c(F)c3)CC2)c1 ZINC001621328435 1056036271 /nfs/dbraw/zinc/03/62/71/1056036271.db2.gz UNGIRVVQXPJFIH-UHFFFAOYSA-N 1 0 312.363 4.048 20 30 DIEDRO CCCCCCCCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001540762862 1056072707 /nfs/dbraw/zinc/07/27/07/1056072707.db2.gz LVLYIRGOQGTXOS-GOSISDBHSA-N 1 0 314.489 4.066 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1csc(C#N)c1 ZINC000921644379 1056095680 /nfs/dbraw/zinc/09/56/80/1056095680.db2.gz PBHQKKCGIBTJED-MRXNPFEDSA-N 1 0 300.427 4.259 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001611178521 1056122307 /nfs/dbraw/zinc/12/23/07/1056122307.db2.gz UHMXSJINFFMWMI-ZWKOTPCHSA-N 1 0 310.526 4.362 20 30 DIEDRO C[C@@H](NCc1ccc(C#N)cc1F)c1nc2ccccc2s1 ZINC000765812526 1056154210 /nfs/dbraw/zinc/15/42/10/1056154210.db2.gz JUJVKJNOIPUIDN-LLVKDONJSA-N 1 0 311.385 4.158 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168615948 1056155701 /nfs/dbraw/zinc/15/57/01/1056155701.db2.gz QBKFSGSQSWOPCO-QFBILLFUSA-N 1 0 315.388 4.202 20 30 DIEDRO C=CC1(CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCCCC1 ZINC001543093157 1056174479 /nfs/dbraw/zinc/17/44/79/1056174479.db2.gz KJWDBKYVPTUACO-SFHVURJKSA-N 1 0 320.521 4.140 20 30 DIEDRO Cc1ccc(C#N)c(Nc2ccc3c(c2)nc(C(C)(C)C)n3C)n1 ZINC000553478610 1056181353 /nfs/dbraw/zinc/18/13/53/1056181353.db2.gz PXIGNAHXLDTRTB-UHFFFAOYSA-N 1 0 319.412 4.190 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CCC(C)C)c1ccc(Cl)cc1 ZINC001543179427 1056185333 /nfs/dbraw/zinc/18/53/33/1056185333.db2.gz JWUDUGPXRMNPSB-QGZVFWFLSA-N 1 0 322.880 4.051 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001621132798 1056188370 /nfs/dbraw/zinc/18/83/70/1056188370.db2.gz FHTWSIZGOCTCNV-CVEARBPZSA-N 1 0 306.475 4.035 20 30 DIEDRO CCN(Cc1cc(-c2ccco2)on1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340537 1056211557 /nfs/dbraw/zinc/21/15/57/1056211557.db2.gz REIMBSGTRDMZFZ-AWEZNQCLSA-N 1 0 321.380 4.389 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001543391334 1056212082 /nfs/dbraw/zinc/21/20/82/1056212082.db2.gz VHLFTHDXXCLKPU-SJLPKXTDSA-N 1 0 308.510 4.116 20 30 DIEDRO CC[NH+](CC)CCSc1cc(C(F)(F)F)c(F)cc1C#N ZINC001612017767 1056223067 /nfs/dbraw/zinc/22/30/67/1056223067.db2.gz XRRCPKFCENFMGO-UHFFFAOYSA-N 1 0 320.355 4.150 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC001543703144 1056282707 /nfs/dbraw/zinc/28/27/07/1056282707.db2.gz DFURFIZVGZZQKP-HXUWFJFHSA-N 1 0 322.452 4.011 20 30 DIEDRO N#Cc1cc2c(nc1-c1ccc(C[NH+]3CCCC3)cc1)CCCC2 ZINC001240049356 1056284252 /nfs/dbraw/zinc/28/42/52/1056284252.db2.gz CHFXWHBPVIRJKW-UHFFFAOYSA-N 1 0 317.436 4.095 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001584351621 1056324360 /nfs/dbraw/zinc/32/43/60/1056324360.db2.gz XJKAVWZFDVYKKV-IAGOWNOFSA-N 1 0 310.526 4.362 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(F)c1C#N ZINC000301576323 1056333910 /nfs/dbraw/zinc/33/39/10/1056333910.db2.gz MJILTZIYSPQWGG-DNVCBOLYSA-N 1 0 323.415 4.020 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000554089981 1056344218 /nfs/dbraw/zinc/34/42/18/1056344218.db2.gz KBIAWEGYDCCOTQ-WZOJCFFYSA-N 1 0 310.441 4.026 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(C#N)c(F)c2)cc1F ZINC001240162246 1056358773 /nfs/dbraw/zinc/35/87/73/1056358773.db2.gz HOHVJAVLQAQZLU-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO Cc1cc(C#N)c(-c2cccc(C[NH+]3CCCCC3)c2)nc1C ZINC001240163216 1056359744 /nfs/dbraw/zinc/35/97/44/1056359744.db2.gz ZADLKSXPLSKHSF-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO N#Cc1ccc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)cc1F ZINC001240162303 1056360937 /nfs/dbraw/zinc/36/09/37/1056360937.db2.gz KAGIQMSJHVVWHD-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO COc1ccc(-c2cccc(C[NH+]3CCCCC3)c2)cc1CC#N ZINC001240169273 1056361488 /nfs/dbraw/zinc/36/14/88/1056361488.db2.gz LTAHHVRLUBTORE-UHFFFAOYSA-N 1 0 320.436 4.414 20 30 DIEDRO N#Cc1cc2nc(-c3cccc(C[NH+]4CCCCC4)c3)ccc2[nH]1 ZINC001240169012 1056362708 /nfs/dbraw/zinc/36/27/08/1056362708.db2.gz SINANCFAOVTFLB-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO COc1c(C#N)c(F)ccc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001240174577 1056364570 /nfs/dbraw/zinc/36/45/70/1056364570.db2.gz POEFKDGJDXGEKA-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000554719759 1056372504 /nfs/dbraw/zinc/37/25/04/1056372504.db2.gz KFFGGFUPTSXZKO-RBUKOAKNSA-N 1 0 324.399 4.117 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3sc(Cl)cc32)cc1F ZINC000404580131 1056402150 /nfs/dbraw/zinc/40/21/50/1056402150.db2.gz YIIMZYBUYPBHRO-ZDUSSCGKSA-N 1 0 306.793 4.189 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1OC(F)F ZINC000404774697 1056416768 /nfs/dbraw/zinc/41/67/68/1056416768.db2.gz YSXQDQDFNZJXFA-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO N#Cc1cc(-c2cccc(C(F)(F)F)c2F)cc(C2C[NH2+]C2)c1 ZINC001240345169 1056438802 /nfs/dbraw/zinc/43/88/02/1056438802.db2.gz CFQMWKONFZSXPL-UHFFFAOYSA-N 1 0 320.289 4.070 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[C@H](SC)C2)c1 ZINC000921741813 1056440828 /nfs/dbraw/zinc/44/08/28/1056440828.db2.gz ITKBAIAXRFMCSX-JZXOWHBKSA-N 1 0 318.486 4.131 20 30 DIEDRO Cc1ccnc2c(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ccc(C)c12 ZINC001240350963 1056442368 /nfs/dbraw/zinc/44/23/68/1056442368.db2.gz LLCWYWDWDXPIOK-UHFFFAOYSA-N 1 0 313.404 4.077 20 30 DIEDRO Cc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1C(F)(F)F ZINC001240351284 1056442407 /nfs/dbraw/zinc/44/24/07/1056442407.db2.gz OXGORMUNSTXSER-UHFFFAOYSA-N 1 0 316.326 4.239 20 30 DIEDRO CCCCOc1ccccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240360201 1056443926 /nfs/dbraw/zinc/44/39/26/1056443926.db2.gz AOGQLFJVPNOVMD-UHFFFAOYSA-N 1 0 306.409 4.091 20 30 DIEDRO CC1(C)CCNc2cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ccc21 ZINC001240360769 1056445772 /nfs/dbraw/zinc/44/57/72/1056445772.db2.gz HITRDMSBNJGQBP-UHFFFAOYSA-N 1 0 317.436 4.005 20 30 DIEDRO CCCCOc1ccc(F)cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240361452 1056445921 /nfs/dbraw/zinc/44/59/21/1056445921.db2.gz ZOIDEPHGHCISQE-UHFFFAOYSA-N 1 0 324.399 4.230 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(F)cc2OCC#N)cc1 ZINC001240370544 1056457073 /nfs/dbraw/zinc/45/70/73/1056457073.db2.gz QOJGLSFGUQVNCE-UHFFFAOYSA-N 1 0 312.388 4.283 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2cc(/C=N/O)ccc2F)cc1 ZINC001240376142 1056460406 /nfs/dbraw/zinc/46/04/06/1056460406.db2.gz GCDJTHQPVZJMKR-CIAFOILYSA-N 1 0 300.377 4.189 20 30 DIEDRO CC[N@H+](Cc1nc2ccccc2o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477498 1056465209 /nfs/dbraw/zinc/46/52/09/1056465209.db2.gz HPBHTEYNSSUTLE-AWEZNQCLSA-N 1 0 305.381 4.283 20 30 DIEDRO N#CCc1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC001240386927 1056468439 /nfs/dbraw/zinc/46/84/39/1056468439.db2.gz JAATXOYLAOXMDJ-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC001615195752 1056473838 /nfs/dbraw/zinc/47/38/38/1056473838.db2.gz VKETVNVBVBISQT-FQEVSTJZSA-N 1 0 312.457 4.372 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168664926 1056477006 /nfs/dbraw/zinc/47/70/06/1056477006.db2.gz KXEHNQYNNUISHZ-PKOBYXMFSA-N 1 0 303.446 4.203 20 30 DIEDRO N#Cc1cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)ccc1Cl ZINC001240400996 1056482068 /nfs/dbraw/zinc/48/20/68/1056482068.db2.gz XMNZMJJLHRLKJW-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO CCC[N@H+](CCc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 ZINC001615252277 1056485064 /nfs/dbraw/zinc/48/50/64/1056485064.db2.gz XYCAVFWMXNALCN-QFIPXVFZSA-N 1 0 318.464 4.370 20 30 DIEDRO CCCCCCC[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC001615255947 1056485416 /nfs/dbraw/zinc/48/54/16/1056485416.db2.gz NCDPYRHLCHMWFK-UHFFFAOYSA-N 1 0 305.462 4.075 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C1CC(OCc2ccccc2)C1 ZINC001615366413 1056498122 /nfs/dbraw/zinc/49/81/22/1056498122.db2.gz HRJOMRSTTQKDGD-UHFFFAOYSA-N 1 0 323.411 4.009 20 30 DIEDRO COc1ccc(C[N@H+](CCCCC#N)Cc2ccccc2)cc1 ZINC000338734255 1056512018 /nfs/dbraw/zinc/51/20/18/1056512018.db2.gz MGBRHXGMQNFUJD-UHFFFAOYSA-N 1 0 308.425 4.391 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)c2)s1 ZINC000765937263 1056516034 /nfs/dbraw/zinc/51/60/34/1056516034.db2.gz IIYDDMPKOVPGMM-YOEHRIQHSA-N 1 0 321.449 4.459 20 30 DIEDRO CCS[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001615477741 1056516706 /nfs/dbraw/zinc/51/67/06/1056516706.db2.gz QTKIHTOTQWRTQV-MRXNPFEDSA-N 1 0 308.878 4.319 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC001615496829 1056520794 /nfs/dbraw/zinc/52/07/94/1056520794.db2.gz MNUYVDOYZADUDR-SFHVURJKSA-N 1 0 303.446 4.165 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC001615497299 1056522468 /nfs/dbraw/zinc/52/24/68/1056522468.db2.gz ZBILAJFGHTWVDY-FQEVSTJZSA-N 1 0 310.441 4.149 20 30 DIEDRO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1C#N ZINC001615559611 1056534559 /nfs/dbraw/zinc/53/45/59/1056534559.db2.gz QYVGWUZGZCUZKV-BEFAXECRSA-N 1 0 308.400 4.384 20 30 DIEDRO C=C(C)CC[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001615600236 1056542826 /nfs/dbraw/zinc/54/28/26/1056542826.db2.gz HGJGAQJXGHXGNZ-UHFFFAOYSA-N 1 0 308.263 4.379 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC001615664362 1056557638 /nfs/dbraw/zinc/55/76/38/1056557638.db2.gz AECBMFHJWRIVJV-IFXJQAMLSA-N 1 0 324.399 4.289 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC001615788711 1056574849 /nfs/dbraw/zinc/57/48/49/1056574849.db2.gz HOKYHLWRSLZBLL-JOCHJYFZSA-N 1 0 316.448 4.428 20 30 DIEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000111411455 1056577557 /nfs/dbraw/zinc/57/75/57/1056577557.db2.gz ISTDERHZXOMCOK-IIBYNOLFSA-N 1 0 320.436 4.392 20 30 DIEDRO N#CCC1(C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC001615806565 1056577882 /nfs/dbraw/zinc/57/78/82/1056577882.db2.gz VGDYWPLCFJGGOD-UHFFFAOYSA-N 1 0 304.384 4.403 20 30 DIEDRO CCCCCCCC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC001615829994 1056583576 /nfs/dbraw/zinc/58/35/76/1056583576.db2.gz XFVLDKMSHWFPEN-UHFFFAOYSA-N 1 0 310.432 4.447 20 30 DIEDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCCCC1(C#N)CCC1 ZINC001615961477 1056602416 /nfs/dbraw/zinc/60/24/16/1056602416.db2.gz QCVSPTMLIFUWFK-IRXDYDNUSA-N 1 0 306.494 4.376 20 30 DIEDRO C=C(C)CC[N@H+]1CCC[C@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC001616003667 1056605211 /nfs/dbraw/zinc/60/52/11/1056605211.db2.gz QZJWSKXLBXNFLD-SFHVURJKSA-N 1 0 311.429 4.188 20 30 DIEDRO Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)ccc1C#N ZINC000488974918 1056606146 /nfs/dbraw/zinc/60/61/46/1056606146.db2.gz WFPVYBMCUBDUKY-HNNXBMFYSA-N 1 0 310.363 4.277 20 30 DIEDRO N#Cc1cccc(OCC[NH2+][C@@H](c2ccccc2)C2CCCC2)c1 ZINC001616020950 1056606929 /nfs/dbraw/zinc/60/69/29/1056606929.db2.gz XEAPUCCCJMRUOW-NRFANRHFSA-N 1 0 320.436 4.458 20 30 DIEDRO N#Cc1cccc(OCC[NH2+][C@H](c2ccccc2)C2CCCC2)c1 ZINC001616020952 1056607388 /nfs/dbraw/zinc/60/73/88/1056607388.db2.gz XEAPUCCCJMRUOW-OAQYLSRUSA-N 1 0 320.436 4.458 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC001616120834 1056613098 /nfs/dbraw/zinc/61/30/98/1056613098.db2.gz JMACQNGBVVDWJZ-HXUWFJFHSA-N 1 0 308.400 4.371 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([N@H+](C)CCc2ccc(C#N)cc2)C1(C)C ZINC001616167707 1056616221 /nfs/dbraw/zinc/61/62/21/1056616221.db2.gz UXEQGSBVLHELQO-MOPGFXCFSA-N 1 0 314.473 4.016 20 30 DIEDRO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC001616159979 1056616453 /nfs/dbraw/zinc/61/64/53/1056616453.db2.gz WLXLEBHKLJFOAK-ROUUACIJSA-N 1 0 318.436 4.113 20 30 DIEDRO C[C@@H]1Cc2cc(C[NH2+][C@H](CCC#N)c3ccccc3)ccc2O1 ZINC000921923283 1056625293 /nfs/dbraw/zinc/62/52/93/1056625293.db2.gz JUCMSYGOCCTMCR-DNVCBOLYSA-N 1 0 306.409 4.145 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cncc(C(C)(C)O)c2)cc1 ZINC001240669285 1056633306 /nfs/dbraw/zinc/63/33/06/1056633306.db2.gz PKPSOPDBNNHSSY-FQEVSTJZSA-N 1 0 322.452 4.299 20 30 DIEDRO N#Cc1cncc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)c1 ZINC001616323049 1056634950 /nfs/dbraw/zinc/63/49/50/1056634950.db2.gz SQECUVTWUJPKIR-KUFMOJEASA-N 1 0 317.436 4.411 20 30 DIEDRO N#Cc1ccnc(C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC001616323331 1056634969 /nfs/dbraw/zinc/63/49/69/1056634969.db2.gz UIOLUIHFVCABJN-ZJVMWOEPSA-N 1 0 317.436 4.411 20 30 DIEDRO N#Cc1ccnc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)c1 ZINC001616323327 1056636045 /nfs/dbraw/zinc/63/60/45/1056636045.db2.gz UIOLUIHFVCABJN-RQWLHQTBSA-N 1 0 317.436 4.411 20 30 DIEDRO CCCCCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC001585916419 1056639962 /nfs/dbraw/zinc/63/99/62/1056639962.db2.gz DEUJSZAJRLYULM-QGZVFWFLSA-N 1 0 310.526 4.364 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2SCC)c1 ZINC001620830890 1056644911 /nfs/dbraw/zinc/64/49/11/1056644911.db2.gz BVKMQOXCGGAEHB-MSOLQXFVSA-N 1 0 305.487 4.405 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)CC1CC1 ZINC001616403590 1056651600 /nfs/dbraw/zinc/65/16/00/1056651600.db2.gz STWJZEWIROCVTD-UHFFFAOYSA-N 1 0 301.739 4.204 20 30 DIEDRO CC[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000338776463 1056660607 /nfs/dbraw/zinc/66/06/07/1056660607.db2.gz KXRFEQQPNOMTQY-CLCXKQKWSA-N 1 0 300.446 4.193 20 30 DIEDRO CC[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000338776466 1056660967 /nfs/dbraw/zinc/66/09/67/1056660967.db2.gz KXRFEQQPNOMTQY-LORHWOILSA-N 1 0 300.446 4.193 20 30 DIEDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001616601600 1056684321 /nfs/dbraw/zinc/68/43/21/1056684321.db2.gz WEKKKARQDIPSGG-NRFANRHFSA-N 1 0 320.436 4.082 20 30 DIEDRO COCC#CC[NH2+][C@H](CCCCc1ccccc1)c1ccccc1 ZINC001616616566 1056687372 /nfs/dbraw/zinc/68/73/72/1056687372.db2.gz REAYDICOGNXTMU-JOCHJYFZSA-N 1 0 321.464 4.380 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cs1 ZINC000921967167 1056692209 /nfs/dbraw/zinc/69/22/09/1056692209.db2.gz BBZKSMXHIVCKLM-OAHLLOKOSA-N 1 0 318.829 4.277 20 30 DIEDRO CC(C)Cc1ccc([C@H]([NH2+]Cc2cc(C#N)ccn2)C2CC2)cc1 ZINC001616637548 1056692662 /nfs/dbraw/zinc/69/26/62/1056692662.db2.gz WHJGRUHGMRUXEU-NRFANRHFSA-N 1 0 319.452 4.393 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC001616700615 1056704824 /nfs/dbraw/zinc/70/48/24/1056704824.db2.gz XCJJERGLRKHJOD-HZPDHXFCSA-N 1 0 303.446 4.327 20 30 DIEDRO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001616700476 1056704954 /nfs/dbraw/zinc/70/49/54/1056704954.db2.gz UUHOQBWNYXRCEF-HZPDHXFCSA-N 1 0 310.482 4.063 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC001616700612 1056705389 /nfs/dbraw/zinc/70/53/89/1056705389.db2.gz XCJJERGLRKHJOD-CVEARBPZSA-N 1 0 303.446 4.327 20 30 DIEDRO CCc1ccc([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC001616729712 1056707690 /nfs/dbraw/zinc/70/76/90/1056707690.db2.gz OHJCGONACCCEOX-INIZCTEOSA-N 1 0 308.425 4.240 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCCc2cn(C(C)C)nc21 ZINC000921982673 1056709083 /nfs/dbraw/zinc/70/90/83/1056709083.db2.gz IDOXXMIPAVBVJN-LJQANCHMSA-N 1 0 322.456 4.120 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001616762241 1056712177 /nfs/dbraw/zinc/71/21/77/1056712177.db2.gz BMVAJAJYKHMQPE-ZDUSSCGKSA-N 1 0 309.837 4.420 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000922001857 1056723047 /nfs/dbraw/zinc/72/30/47/1056723047.db2.gz SXUJPEINVFSPGH-TZIWHRDSSA-N 1 0 320.436 4.185 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001616824709 1056723626 /nfs/dbraw/zinc/72/36/26/1056723626.db2.gz SHNWLOALKALUCV-LJQANCHMSA-N 1 0 314.379 4.193 20 30 DIEDRO C[C@H]1CCCC[C@H]1OCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898685 1056735508 /nfs/dbraw/zinc/73/55/08/1056735508.db2.gz GOJWLPYZNTXMLE-LAUBAEHRSA-N 1 0 324.468 4.243 20 30 DIEDRO CC1(C)C[NH+](CCCOc2ccc(C#N)cc2)CC(C)(C)C1 ZINC001617006264 1056759171 /nfs/dbraw/zinc/75/91/71/1056759171.db2.gz OXAOPZGFTAUZKX-UHFFFAOYSA-N 1 0 300.446 4.085 20 30 DIEDRO COc1c2ccccc2oc1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922044846 1056762941 /nfs/dbraw/zinc/76/29/41/1056762941.db2.gz VJKQMTHULXZDAT-UHFFFAOYSA-N 1 0 320.392 4.220 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2csc(C#N)c2)c(C)c1 ZINC000922043589 1056763451 /nfs/dbraw/zinc/76/34/51/1056763451.db2.gz ALPNALDDTZWACA-UHFFFAOYSA-N 1 0 300.427 4.007 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC001617275153 1056805289 /nfs/dbraw/zinc/80/52/89/1056805289.db2.gz VSUKOGUNRSLZKP-WMZOPIPTSA-N 1 0 300.446 4.261 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC001617311308 1056808306 /nfs/dbraw/zinc/80/83/06/1056808306.db2.gz RMICZJMEMDSOLG-NHYWBVRUSA-N 1 0 312.226 4.431 20 30 DIEDRO C=C(C)C[NH+]1CCC(c2ccccc2C(=O)OC(C)(C)C)CC1 ZINC001617344987 1056816357 /nfs/dbraw/zinc/81/63/57/1056816357.db2.gz KDQRAASQEHHODG-UHFFFAOYSA-N 1 0 315.457 4.397 20 30 DIEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001617402484 1056827915 /nfs/dbraw/zinc/82/79/15/1056827915.db2.gz SBBLCULOIJGJKT-MAUKXSAKSA-N 1 0 300.446 4.132 20 30 DIEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001617402488 1056828075 /nfs/dbraw/zinc/82/80/75/1056828075.db2.gz SBBLCULOIJGJKT-YJBOKZPZSA-N 1 0 300.446 4.132 20 30 DIEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001617402480 1056828259 /nfs/dbraw/zinc/82/82/59/1056828259.db2.gz SBBLCULOIJGJKT-CRAIPNDOSA-N 1 0 300.446 4.132 20 30 DIEDRO CC(C)([NH2+]CCc1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC001617436880 1056833147 /nfs/dbraw/zinc/83/31/47/1056833147.db2.gz KKVOWARYYIJPEE-UHFFFAOYSA-N 1 0 316.807 4.418 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1 ZINC000922144592 1056844636 /nfs/dbraw/zinc/84/46/36/1056844636.db2.gz GSGLEPZXVTZXBM-LJQANCHMSA-N 1 0 308.429 4.133 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccccc1 ZINC000922145830 1056846827 /nfs/dbraw/zinc/84/68/27/1056846827.db2.gz WYLUHVVCZBVXNH-IBGZPJMESA-N 1 0 308.429 4.133 20 30 DIEDRO C#C[C@H](C)[N@H+](C)Cc1cccc2c(Br)cccc12 ZINC001617603972 1056856132 /nfs/dbraw/zinc/85/61/32/1056856132.db2.gz LRYLGJDLUJFGIJ-LBPRGKRZSA-N 1 0 302.215 4.056 20 30 DIEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2cc(C)ccc2C)CCCC1(C)C ZINC001617603662 1056856226 /nfs/dbraw/zinc/85/62/26/1056856226.db2.gz BHBGMYBKPWLXIR-SFHVURJKSA-N 1 0 314.473 4.309 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC001617610674 1056858740 /nfs/dbraw/zinc/85/87/40/1056858740.db2.gz LCXQUZIXNRGHKC-APWZRJJASA-N 1 0 320.436 4.253 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421863342 1056865282 /nfs/dbraw/zinc/86/52/82/1056865282.db2.gz XFTVBEUOIDKIMU-WOJBJXKFSA-N 1 0 306.453 4.106 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000922158101 1056865611 /nfs/dbraw/zinc/86/56/11/1056865611.db2.gz ZQRCVBOBCMFWSM-DNVCBOLYSA-N 1 0 306.409 4.177 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421863340 1056866046 /nfs/dbraw/zinc/86/60/46/1056866046.db2.gz XFTVBEUOIDKIMU-VQTJNVASSA-N 1 0 306.453 4.106 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001617742134 1056875494 /nfs/dbraw/zinc/87/54/94/1056875494.db2.gz JOTKZHTZRFLFGB-FQEVSTJZSA-N 1 0 311.400 4.269 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(F)c2cccnc12)c1ccc(C#N)cc1 ZINC001617881745 1056896323 /nfs/dbraw/zinc/89/63/23/1056896323.db2.gz KPCZGEVHYGFTIC-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO CCCCCCCCOc1ccc(-c2cnc(C[NH3+])nc2)cc1 ZINC001241126876 1056911292 /nfs/dbraw/zinc/91/12/92/1056911292.db2.gz ICFHFBGYJIQRLM-UHFFFAOYSA-N 1 0 313.445 4.342 20 30 DIEDRO C=CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001618215837 1056935781 /nfs/dbraw/zinc/93/57/81/1056935781.db2.gz ZHXDTYJLKYLJER-HNNXBMFYSA-N 1 0 313.363 4.433 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001618222871 1056936929 /nfs/dbraw/zinc/93/69/29/1056936929.db2.gz WAABJWZINLHDGH-IRXDYDNUSA-N 1 0 322.493 4.064 20 30 DIEDRO C[C@@H](C[N@H+](C)CCOCc1ccc(C#N)cc1)CC(C)(C)C ZINC001618273209 1056943135 /nfs/dbraw/zinc/94/31/35/1056943135.db2.gz HMUABNGXLUIFQM-MRXNPFEDSA-N 1 0 302.462 4.079 20 30 DIEDRO Cc1ccc(CC[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000116361147 1056972961 /nfs/dbraw/zinc/97/29/61/1056972961.db2.gz NLZIUCAXQPFYGQ-UHFFFAOYSA-N 1 0 308.425 4.010 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000080533700 1056976090 /nfs/dbraw/zinc/97/60/90/1056976090.db2.gz NILLJHMUZINSGT-LEWJYISDSA-N 1 0 320.436 4.124 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000080533708 1056976130 /nfs/dbraw/zinc/97/61/30/1056976130.db2.gz NILLJHMUZINSGT-SFTDATJTSA-N 1 0 320.436 4.124 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)ccc1Cl ZINC001168714709 1056983410 /nfs/dbraw/zinc/98/34/10/1056983410.db2.gz KBSRKHRFBDTOAX-AWEZNQCLSA-N 1 0 317.219 4.122 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1 ZINC000358355748 1056984218 /nfs/dbraw/zinc/98/42/18/1056984218.db2.gz SITDZUGEQZGLAW-CVEARBPZSA-N 1 0 313.363 4.481 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1 ZINC000358355753 1056984324 /nfs/dbraw/zinc/98/43/24/1056984324.db2.gz SITDZUGEQZGLAW-HZPDHXFCSA-N 1 0 313.363 4.481 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(Cl)c2)cc1C#N ZINC000316622076 1056987940 /nfs/dbraw/zinc/98/79/40/1056987940.db2.gz RUOWUXQTNWIHIS-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000922309698 1057003935 /nfs/dbraw/zinc/00/39/35/1057003935.db2.gz YHBFTKDANOINOR-FPOVZHCZSA-N 1 0 320.436 4.043 20 30 DIEDRO N#Cc1cc(CNc2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000922337525 1057012316 /nfs/dbraw/zinc/01/23/16/1057012316.db2.gz DBSVFBLWOOXNAM-UHFFFAOYSA-N 1 0 311.454 4.218 20 30 DIEDRO Cc1nc(-c2ccc(C[NH+]3CCCCC3)cc2)ccc1CC#N ZINC001241388299 1057034872 /nfs/dbraw/zinc/03/48/72/1057034872.db2.gz AWTMDYCAAJFOKB-UHFFFAOYSA-N 1 0 305.425 4.109 20 30 DIEDRO N#CCc1cc(-c2ccc(C[NH+]3CCCCC3)cc2)ccc1C#N ZINC001241389102 1057035475 /nfs/dbraw/zinc/03/54/75/1057035475.db2.gz WYNQGCQJJCVLLI-UHFFFAOYSA-N 1 0 315.420 4.277 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1scnc1C1CC1 ZINC000922600402 1057038117 /nfs/dbraw/zinc/03/81/17/1057038117.db2.gz QCKBLPPFUSIAFZ-UHFFFAOYSA-N 1 0 311.454 4.003 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000093492382 1057038230 /nfs/dbraw/zinc/03/82/30/1057038230.db2.gz LIHATYCFTPUULJ-ZDUSSCGKSA-N 1 0 300.427 4.258 20 30 DIEDRO N#Cc1csc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000093757192 1057041235 /nfs/dbraw/zinc/04/12/35/1057041235.db2.gz ZYBRTGAJOFFEKF-CQSZACIVSA-N 1 0 314.479 4.234 20 30 DIEDRO CC[NH+](CC)Cc1cc(C)ccc1-c1ccc(C#N)cc1OC ZINC001241408688 1057044615 /nfs/dbraw/zinc/04/46/15/1057044615.db2.gz GLLGXUGEGYZALD-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO COc1cc(C#N)ccc1-c1cccc(C2CC[NH+](C)CC2)c1 ZINC001241411719 1057045016 /nfs/dbraw/zinc/04/50/16/1057045016.db2.gz BRNIIJPSILIJBU-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO COc1cc(C#N)ccc1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001241412613 1057045246 /nfs/dbraw/zinc/04/52/46/1057045246.db2.gz WCIKJNJLFIJWNI-UHFFFAOYSA-N 1 0 324.449 4.078 20 30 DIEDRO C[C@H]1Cc2cc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)ccc2O1 ZINC000922702000 1057049965 /nfs/dbraw/zinc/04/99/65/1057049965.db2.gz UDPZXQHUJOUZCI-HNNXBMFYSA-N 1 0 320.436 4.101 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2cscc2C(F)(F)F)cc1C#N ZINC000922759422 1057055689 /nfs/dbraw/zinc/05/56/89/1057055689.db2.gz HWLLRMNKOFSEHO-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000282375409 1057061387 /nfs/dbraw/zinc/06/13/87/1057061387.db2.gz QMKXRMURBDIMER-JCYILVPMSA-N 1 0 306.400 4.172 20 30 DIEDRO N#CCCc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001241503992 1057073540 /nfs/dbraw/zinc/07/35/40/1057073540.db2.gz LBELFIHPAQEIDW-UHFFFAOYSA-N 1 0 302.421 4.432 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1Br)C1(C)CCCC1 ZINC000489873171 1057104347 /nfs/dbraw/zinc/10/43/47/1057104347.db2.gz NIXCKOPMTHZKCN-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCCc2nc(CC)sc21)c1ccncc1 ZINC000766018246 1057109299 /nfs/dbraw/zinc/10/92/99/1057109299.db2.gz GUWCEDNLYLHDAC-CABCVRRESA-N 1 0 313.470 4.385 20 30 DIEDRO CC[N@H+](Cc1cccc2nsnc21)[C@H](C)c1ccc(C#N)cc1 ZINC000766018642 1057109331 /nfs/dbraw/zinc/10/93/31/1057109331.db2.gz NIOWVGGAJXOEDZ-CYBMUJFWSA-N 1 0 322.437 4.146 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cnn(-c2ccccc2)c1)c1ccncc1 ZINC000766019153 1057115247 /nfs/dbraw/zinc/11/52/47/1057115247.db2.gz KFQSDKPHSUVXIO-OXQOHEQNSA-N 1 0 318.424 4.235 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(SC)nc2)cc1 ZINC001241631292 1057115324 /nfs/dbraw/zinc/11/53/24/1057115324.db2.gz GTYLOKNLKQCPSE-QGZVFWFLSA-N 1 0 311.454 4.188 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1ccncc1 ZINC000766019336 1057117558 /nfs/dbraw/zinc/11/75/58/1057117558.db2.gz LPHUKQRTTHIOLD-BZNIZROVSA-N 1 0 306.331 4.467 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1)c1ccncc1 ZINC000766022011 1057122555 /nfs/dbraw/zinc/12/25/55/1057122555.db2.gz VSXUAFQAPIGZCF-GUXCAODWSA-N 1 0 310.441 4.489 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1)c1ccncc1 ZINC000766022016 1057122826 /nfs/dbraw/zinc/12/28/26/1057122826.db2.gz VSXUAFQAPIGZCF-YRNRMSPPSA-N 1 0 310.441 4.489 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccncc1 ZINC000766023025 1057123492 /nfs/dbraw/zinc/12/34/92/1057123492.db2.gz ZMJNRWHCPSPEHT-YOEHRIQHSA-N 1 0 311.385 4.266 20 30 DIEDRO CCCc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1 ZINC001241689577 1057138054 /nfs/dbraw/zinc/13/80/54/1057138054.db2.gz HITKNRUSFNZCFX-UHFFFAOYSA-N 1 0 304.437 4.451 20 30 DIEDRO CCCOc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1 ZINC001241747140 1057155219 /nfs/dbraw/zinc/15/52/19/1057155219.db2.gz AWTHIKUSLIPLMU-UHFFFAOYSA-N 1 0 320.436 4.287 20 30 DIEDRO C#Cc1cccc(-c2ccc(OC)cc2C[NH+]2CCCCC2)c1 ZINC001241921585 1057211929 /nfs/dbraw/zinc/21/19/29/1057211929.db2.gz QYZLYOSVWWFBHN-UHFFFAOYSA-N 1 0 305.421 4.329 20 30 DIEDRO Cc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c(F)c1F ZINC001242031977 1057244306 /nfs/dbraw/zinc/24/43/06/1057244306.db2.gz QVCXMTMXGSCEAR-UHFFFAOYSA-N 1 0 312.363 4.085 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000172397971 1057257352 /nfs/dbraw/zinc/25/73/52/1057257352.db2.gz DBKJDECQXMIAEG-CQSZACIVSA-N 1 0 301.393 4.159 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000172397967 1057258101 /nfs/dbraw/zinc/25/81/01/1057258101.db2.gz DBKJDECQXMIAEG-AWEZNQCLSA-N 1 0 301.393 4.159 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](SC)C2)cc1 ZINC000766062035 1057268305 /nfs/dbraw/zinc/26/83/05/1057268305.db2.gz UCGQIJIGUBMQDI-QILLFSRXSA-N 1 0 303.471 4.023 20 30 DIEDRO CO/N=C/c1cc(-c2cccc(C[NH+]3CCCC3)c2)ccc1F ZINC001242119784 1057268682 /nfs/dbraw/zinc/26/86/82/1057268682.db2.gz FEFYIRNRQIPKDX-FYJGNVAPSA-N 1 0 312.388 4.069 20 30 DIEDRO N#Cc1c(-c2cccc(C[NH+]3CCCC3)c2)ccc2ncccc12 ZINC001242121457 1057269834 /nfs/dbraw/zinc/26/98/34/1057269834.db2.gz CRHDTNYIWOJSQN-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO C[NH+](C)CCOc1ccc(-c2ccc(C3(C#N)CCC3)cc2)cc1 ZINC001242150531 1057281115 /nfs/dbraw/zinc/28/11/15/1057281115.db2.gz RUXJHQNHNPNLPR-UHFFFAOYSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(C#N)cc1 ZINC000173205288 1057285240 /nfs/dbraw/zinc/28/52/40/1057285240.db2.gz ONULUTMGYJSADN-CVEARBPZSA-N 1 0 316.408 4.156 20 30 DIEDRO CC(C)[NH+](CCCNc1nc2ccccc2cc1C#N)C(C)C ZINC000750030181 1057306791 /nfs/dbraw/zinc/30/67/91/1057306791.db2.gz PSAWWCSHBJAFKG-UHFFFAOYSA-N 1 0 310.445 4.027 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc3cnccc3c2)CC[NH2+]CC1 ZINC001242246905 1057310368 /nfs/dbraw/zinc/31/03/68/1057310368.db2.gz NEZLNEWUSQMVNC-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000702924646 1057318523 /nfs/dbraw/zinc/31/85/23/1057318523.db2.gz AZCQQSSIPGTCSF-KRWDZBQOSA-N 1 0 314.473 4.291 20 30 DIEDRO COc1cccc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)c1C#N ZINC001242298487 1057326089 /nfs/dbraw/zinc/32/60/89/1057326089.db2.gz AWGILEVUFHDOBI-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000173929428 1057346748 /nfs/dbraw/zinc/34/67/48/1057346748.db2.gz LSZKQCLBDWHLFX-HNNXBMFYSA-N 1 0 321.424 4.148 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OC(F)F)cc1 ZINC000174061710 1057349462 /nfs/dbraw/zinc/34/94/62/1057349462.db2.gz KBCCKTAZZGSIKG-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OC(F)F)cc1 ZINC000174061718 1057349760 /nfs/dbraw/zinc/34/97/60/1057349760.db2.gz KBCCKTAZZGSIKG-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1 ZINC000174059211 1057349875 /nfs/dbraw/zinc/34/98/75/1057349875.db2.gz QVYSMPQDAQLGMQ-CYBMUJFWSA-N 1 0 313.470 4.206 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000174431419 1057361715 /nfs/dbraw/zinc/36/17/15/1057361715.db2.gz SGCCCVBEALDJMD-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO Cc1cc(C#N)ccc1-c1ccc2c(c1)CCC21CC[NH2+]CC1 ZINC001242473082 1057376556 /nfs/dbraw/zinc/37/65/56/1057376556.db2.gz QTDMZNWBXAHAQP-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO Cc1cc(C#N)cc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c1 ZINC001242477768 1057378072 /nfs/dbraw/zinc/37/80/72/1057378072.db2.gz KRKNKRRFHMCLEB-UHFFFAOYSA-N 1 0 300.405 4.182 20 30 DIEDRO CC(C)[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccccc1Cl ZINC001168758027 1057381294 /nfs/dbraw/zinc/38/12/94/1057381294.db2.gz MTXZEOXALSDVTR-PBHICJAKSA-N 1 0 320.864 4.072 20 30 DIEDRO N#Cc1cc(C2=CCCCCCC2)ccc1OC1CC[NH2+]CC1 ZINC001242504341 1057386386 /nfs/dbraw/zinc/38/63/86/1057386386.db2.gz PUHDQJLZJCSIHY-UHFFFAOYSA-N 1 0 310.441 4.427 20 30 DIEDRO Cc1ccc(C#N)cc1-c1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001242540855 1057397978 /nfs/dbraw/zinc/39/79/78/1057397978.db2.gz GOFKUYLJXNDCTA-MRXNPFEDSA-N 1 0 305.425 4.303 20 30 DIEDRO Cc1ccc(C#N)cc1-c1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001242541912 1057399181 /nfs/dbraw/zinc/39/91/81/1057399181.db2.gz STEGTGIGHKFZBK-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)c1 ZINC001242566868 1057407682 /nfs/dbraw/zinc/40/76/82/1057407682.db2.gz GCNUDZGONUASDB-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2cncc(C[NH+]3CCCCC3)c2)c1 ZINC001242570042 1057408546 /nfs/dbraw/zinc/40/85/46/1057408546.db2.gz BYXSRFAOZKPWCY-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000675783549 1057414025 /nfs/dbraw/zinc/41/40/25/1057414025.db2.gz KKMOOTYUBMKOOP-INIZCTEOSA-N 1 0 309.409 4.212 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(F)cc2C#N)ccc1OC ZINC001242584903 1057415170 /nfs/dbraw/zinc/41/51/70/1057415170.db2.gz XALDNAIZENBLLH-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO N#Cc1cc(F)ccc1-c1ccc(F)c(C[NH+]2CCCCC2)c1 ZINC001242584320 1057415395 /nfs/dbraw/zinc/41/53/95/1057415395.db2.gz RJRVDIYBFOZSCT-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO Cc1ccc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c(C#N)c1 ZINC001242592175 1057416772 /nfs/dbraw/zinc/41/67/72/1057416772.db2.gz RSZOBNDLAVAKQA-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO Cc1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)c(C#N)c1 ZINC001242593115 1057418155 /nfs/dbraw/zinc/41/81/55/1057418155.db2.gz GTOYNAXKPVXYHN-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000675934088 1057434618 /nfs/dbraw/zinc/43/46/18/1057434618.db2.gz HTVWWNAJSBALRT-RISCZKNCSA-N 1 0 302.418 4.491 20 30 DIEDRO N#Cc1cc(C(F)(F)F)cnc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242688313 1057447014 /nfs/dbraw/zinc/44/70/14/1057447014.db2.gz IEJGHZPVRWLAJG-HNNXBMFYSA-N 1 0 321.346 4.004 20 30 DIEDRO N#CC1(c2ccc(C3=CC[C@@H]([NH+]4CCCC4)CC3)nc2)CCC1 ZINC001242689591 1057447610 /nfs/dbraw/zinc/44/76/10/1057447610.db2.gz SSTAPIMGQNDDEB-GOSISDBHSA-N 1 0 307.441 4.059 20 30 DIEDRO N#Cc1ccc2ccnc(C3=CC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC001242688742 1057447622 /nfs/dbraw/zinc/44/76/22/1057447622.db2.gz RVVXWLCYUINYFR-SFHVURJKSA-N 1 0 303.409 4.138 20 30 DIEDRO C[Si](C)(C)C#Cc1cccnc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242689643 1057447650 /nfs/dbraw/zinc/44/76/50/1057447650.db2.gz URBCQQSKGJQHRV-LJQANCHMSA-N 1 0 324.544 4.342 20 30 DIEDRO N#Cc1ccc(OC(F)F)cc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242693166 1057449531 /nfs/dbraw/zinc/44/95/31/1057449531.db2.gz JQYBLXDSVNAUAE-HNNXBMFYSA-N 1 0 318.367 4.191 20 30 DIEDRO N#Cc1ccc2nccc(C3=CC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC001242693656 1057449729 /nfs/dbraw/zinc/44/97/29/1057449729.db2.gz JYBXRLLCACHLMI-QGZVFWFLSA-N 1 0 303.409 4.138 20 30 DIEDRO C[Si](C)(C)C#Cc1ccnc(C2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001242692500 1057449756 /nfs/dbraw/zinc/44/97/56/1057449756.db2.gz ROLGGCCTQMBMEH-LJQANCHMSA-N 1 0 324.544 4.342 20 30 DIEDRO CCCCCCCCC[C@@H](C)CC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001129184368 1057451666 /nfs/dbraw/zinc/45/16/66/1057451666.db2.gz AJKZAOHMDBMTFT-QRVBRYPASA-N 1 0 322.537 4.316 20 30 DIEDRO Cc1cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)ccc1C#N ZINC001242768714 1057468586 /nfs/dbraw/zinc/46/85/86/1057468586.db2.gz WYYFORBWRMAOJW-UHFFFAOYSA-N 1 0 302.421 4.101 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(C#N)c(C)c1 ZINC001242769241 1057469540 /nfs/dbraw/zinc/46/95/40/1057469540.db2.gz JZFMZLLJOCUJAH-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000676638761 1057491646 /nfs/dbraw/zinc/49/16/46/1057491646.db2.gz AHSWSBPTELQOSY-LIRRHRJNSA-N 1 0 320.427 4.126 20 30 DIEDRO CC#Cc1cncc(-c2ccc([C@@H]3CCCC[N@H+]3CC)cn2)c1 ZINC001242941317 1057524087 /nfs/dbraw/zinc/52/40/87/1057524087.db2.gz XOKPLYSXRARHCH-FQEVSTJZSA-N 1 0 305.425 4.062 20 30 DIEDRO CC#Cc1cncc(-c2ccc([C@H]3CCCC[N@H+]3CCC)cn2)c1 ZINC001242940483 1057524466 /nfs/dbraw/zinc/52/44/66/1057524466.db2.gz JIWUQGBCVGEUJR-OAQYLSRUSA-N 1 0 319.452 4.452 20 30 DIEDRO C=CCC1([NH2+]C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CCCCC1 ZINC000625934409 1057538467 /nfs/dbraw/zinc/53/84/67/1057538467.db2.gz MRQDJJFSSXOTCR-KRWDZBQOSA-N 1 0 320.521 4.140 20 30 DIEDRO C[NH2+]Cc1ccc(-c2cc(C(F)(F)F)ccc2CC#N)cc1 ZINC001242994060 1057539158 /nfs/dbraw/zinc/53/91/58/1057539158.db2.gz OSOQFJNQXXFOQE-UHFFFAOYSA-N 1 0 304.315 4.158 20 30 DIEDRO C[NH2+]Cc1ccc(-c2cc(OC3CCC3)cc(F)c2C#N)cc1 ZINC001242994451 1057540028 /nfs/dbraw/zinc/54/00/28/1057540028.db2.gz XZZQRRANWUUWRN-UHFFFAOYSA-N 1 0 310.372 4.015 20 30 DIEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1C1=CC[NH2+]C1 ZINC001243109277 1057574628 /nfs/dbraw/zinc/57/46/28/1057574628.db2.gz XHLOTWKYHNVSTD-UHFFFAOYSA-N 1 0 323.399 4.274 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c(F)c1 ZINC000611198424 1057585268 /nfs/dbraw/zinc/58/52/68/1057585268.db2.gz FBJIRJZBJLPNOV-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO COc1cccc(C[N@@H+](Cc2ccc(C#N)s2)CC(C)C)c1 ZINC000611257865 1057586794 /nfs/dbraw/zinc/58/67/94/1057586794.db2.gz JIKBVEHLROBAQG-UHFFFAOYSA-N 1 0 314.454 4.287 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)C[C@@H]1CCOc2ccccc21 ZINC000611268800 1057586847 /nfs/dbraw/zinc/58/68/47/1057586847.db2.gz DKRITHVZIXCTKB-KRWDZBQOSA-N 1 0 300.446 4.205 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)s1 ZINC000611259290 1057587010 /nfs/dbraw/zinc/58/70/10/1057587010.db2.gz XFUUVKHHYHOWGS-OAHLLOKOSA-N 1 0 321.449 4.481 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCOc2ccccc21 ZINC000611265045 1057587578 /nfs/dbraw/zinc/58/75/78/1057587578.db2.gz QNAVTJBXUXXCBT-LJQANCHMSA-N 1 0 318.420 4.113 20 30 DIEDRO N#Cc1csc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000611259260 1057587628 /nfs/dbraw/zinc/58/76/28/1057587628.db2.gz AOPVSSYUKIBELJ-INIZCTEOSA-N 1 0 321.449 4.481 20 30 DIEDRO COCC[N@H+](Cc1ccc(C)cc1C)CC(C)(C)CCC#N ZINC000611257372 1057587910 /nfs/dbraw/zinc/58/79/10/1057587910.db2.gz AYNCCOHYYXKDQZ-UHFFFAOYSA-N 1 0 302.462 4.082 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)ccn1 ZINC000611382713 1057593108 /nfs/dbraw/zinc/59/31/08/1057593108.db2.gz NETAPCZHNWKALW-IBGZPJMESA-N 1 0 309.388 4.113 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1 ZINC000611393315 1057595155 /nfs/dbraw/zinc/59/51/55/1057595155.db2.gz BUBHOUYUQYVTOC-NHCUHLMSSA-N 1 0 319.452 4.360 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nccc2ccccc21 ZINC000611392351 1057595568 /nfs/dbraw/zinc/59/55/68/1057595568.db2.gz MXEKGEJWEJXLJA-FQEVSTJZSA-N 1 0 313.404 4.274 20 30 DIEDRO COc1cc(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccc1C ZINC000611393039 1057595633 /nfs/dbraw/zinc/59/56/33/1057595633.db2.gz DWYFABDZNHRPDJ-HXUWFJFHSA-N 1 0 320.436 4.085 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)ccn1 ZINC000611391518 1057595704 /nfs/dbraw/zinc/59/57/04/1057595704.db2.gz KIHQOUVVCQSWRN-SFHVURJKSA-N 1 0 311.816 4.238 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000611394455 1057596132 /nfs/dbraw/zinc/59/61/32/1057596132.db2.gz KDIWYLBBRHXMLX-MSOLQXFVSA-N 1 0 324.811 4.312 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Oc1cccc(F)c1 ZINC000611393620 1057596186 /nfs/dbraw/zinc/59/61/86/1057596186.db2.gz YFLNGPKHTWQETK-VLIAUNLRSA-N 1 0 324.399 4.132 20 30 DIEDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611395089 1057596273 /nfs/dbraw/zinc/59/62/73/1057596273.db2.gz LGHWDWNSCPYXNM-JLTOFOAXSA-N 1 0 305.425 4.244 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cccc(F)c1F ZINC000611394211 1057596484 /nfs/dbraw/zinc/59/64/84/1057596484.db2.gz VLKVUFVDFLPKKF-GOSISDBHSA-N 1 0 312.363 4.046 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C)c1 ZINC000611394280 1057596541 /nfs/dbraw/zinc/59/65/41/1057596541.db2.gz ARZUUFGWGZPZFF-HXUWFJFHSA-N 1 0 306.409 4.043 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCCCO1 ZINC000611394266 1057596673 /nfs/dbraw/zinc/59/66/73/1057596673.db2.gz AKMIJEYSZNBZEO-OALUTQOASA-N 1 0 312.457 4.121 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000611394598 1057596689 /nfs/dbraw/zinc/59/66/89/1057596689.db2.gz SABIGALECGGGMP-ICSRJNTNSA-N 1 0 324.468 4.407 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1[N+](=O)[O-] ZINC000611395299 1057596732 /nfs/dbraw/zinc/59/67/32/1057596732.db2.gz KGPZNYVSXHRSLZ-ACJLOTCBSA-N 1 0 321.380 4.195 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000611395271 1057596745 /nfs/dbraw/zinc/59/67/45/1057596745.db2.gz ZNGXGZMWALMOSM-WOJBJXKFSA-N 1 0 303.409 4.072 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000611394942 1057597044 /nfs/dbraw/zinc/59/70/44/1057597044.db2.gz WGSLBGGRADLSCJ-SESVDKBCSA-N 1 0 302.421 4.156 20 30 DIEDRO N#Cc1cc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)ccn1 ZINC000611402851 1057597444 /nfs/dbraw/zinc/59/74/44/1057597444.db2.gz ISJZYWGGOARVEK-UHFFFAOYSA-N 1 0 311.816 4.166 20 30 DIEDRO COc1ccc(C)cc1CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390402 1057597467 /nfs/dbraw/zinc/59/74/67/1057597467.db2.gz XOHIOWHKQIWXRU-HXUWFJFHSA-N 1 0 320.436 4.085 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCSc1ccccc1 ZINC000611390173 1057597589 /nfs/dbraw/zinc/59/75/89/1057597589.db2.gz HOZVRRUITZENBF-LJQANCHMSA-N 1 0 308.450 4.318 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391089 1057598356 /nfs/dbraw/zinc/59/83/56/1057598356.db2.gz SAPCRKYUFQTJBI-BFUOFWGJSA-N 1 0 324.399 4.434 20 30 DIEDRO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000611433773 1057599143 /nfs/dbraw/zinc/59/91/43/1057599143.db2.gz SKFMNCNHEFMSJL-QGZVFWFLSA-N 1 0 324.428 4.057 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000611442521 1057600087 /nfs/dbraw/zinc/60/00/87/1057600087.db2.gz HBFHRLHZILBKNX-AQFXKWCLSA-N 1 0 304.384 4.168 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000611442522 1057600424 /nfs/dbraw/zinc/60/04/24/1057600424.db2.gz HBFHRLHZILBKNX-CGZBRXJRSA-N 1 0 304.384 4.168 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1Cl ZINC000611438693 1057600541 /nfs/dbraw/zinc/60/05/41/1057600541.db2.gz HACSIXWHWXHEOZ-UGSOOPFHSA-N 1 0 314.816 4.250 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1Br)C1CCCC1 ZINC000611500478 1057603789 /nfs/dbraw/zinc/60/37/89/1057603789.db2.gz BOMWCBHEOJETQE-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc([S@](C)=O)cc2)CCCC1 ZINC001118420367 1057613095 /nfs/dbraw/zinc/61/30/95/1057613095.db2.gz OLBUWSJTNYWBKN-NRFANRHFSA-N 1 0 305.487 4.040 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)cc2CO)cc1 ZINC001243253113 1057621604 /nfs/dbraw/zinc/62/16/04/1057621604.db2.gz SYOYBBYYIWIVND-NRFANRHFSA-N 1 0 323.436 4.177 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1cnc2ccc(C#N)cc2n1 ZINC001243340726 1057652253 /nfs/dbraw/zinc/65/22/53/1057652253.db2.gz WKNIVKXAQRFIMT-UHFFFAOYSA-N 1 0 316.408 4.010 20 30 DIEDRO N#CC1(c2ccc(-c3ccc(C[NH+]4CCCCC4)cn3)cc2)CC1 ZINC001243423955 1057679621 /nfs/dbraw/zinc/67/96/21/1057679621.db2.gz LFHMGCYJVYJQLM-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccccc2OCC#N)cc1F ZINC001243586971 1057725340 /nfs/dbraw/zinc/72/53/40/1057725340.db2.gz QGDLUMRMECONJE-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(OCC#N)cc2)nc1 ZINC001243590404 1057726050 /nfs/dbraw/zinc/72/60/50/1057726050.db2.gz WBXSDLMJXJKCRE-FQEVSTJZSA-N 1 0 321.424 4.198 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(OCC#N)cc3)cc2)CC1 ZINC001243595003 1057728064 /nfs/dbraw/zinc/72/80/64/1057728064.db2.gz MVZOZKLOLVRVEG-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000731210410 1057737544 /nfs/dbraw/zinc/73/75/44/1057737544.db2.gz LQPLEILTNIMPRO-UHFFFAOYSA-N 1 0 322.383 4.017 20 30 DIEDRO CCC[N@@H+](Cc1ccc(OCC#N)cc1)CC1CCCCC1 ZINC000731211831 1057738058 /nfs/dbraw/zinc/73/80/58/1057738058.db2.gz DCTFHPKZTPHOMF-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3cccc(CC#N)c3F)cc2)CC1 ZINC001243652271 1057744270 /nfs/dbraw/zinc/74/42/70/1057744270.db2.gz NTVZWFANLZWCDK-UHFFFAOYSA-N 1 0 308.400 4.368 20 30 DIEDRO COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C)cn2)c(C#N)c1 ZINC001243730187 1057764864 /nfs/dbraw/zinc/76/48/64/1057764864.db2.gz VDVMKQVOBFIURZ-HNNXBMFYSA-N 1 0 321.424 4.003 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C)c(-c2ccc(OC)cc2C#N)c1 ZINC001243732233 1057765020 /nfs/dbraw/zinc/76/50/20/1057765020.db2.gz LHEYZQFMCPPOFG-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO C[NH+](C)CCOc1cccc(-c2ccccc2C2(C#N)CCC2)c1 ZINC001243751022 1057770045 /nfs/dbraw/zinc/77/00/45/1057770045.db2.gz VPDYDFIJJQPRDY-UHFFFAOYSA-N 1 0 320.436 4.239 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@H+](C)Cc2ccccc2C)c1O ZINC000732429550 1057774865 /nfs/dbraw/zinc/77/48/65/1057774865.db2.gz JHHDXPNOABSHFE-UHFFFAOYSA-N 1 0 311.425 4.070 20 30 DIEDRO N#C[C@H]1CC=C(c2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)CC1 ZINC001243793372 1057781016 /nfs/dbraw/zinc/78/10/16/1057781016.db2.gz BTHDZQJVHQJZCG-YJBOKZPZSA-N 1 0 320.440 4.058 20 30 DIEDRO N#C[C@@H]1CC=C(c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001243795298 1057781420 /nfs/dbraw/zinc/78/14/20/1057781420.db2.gz SEAHZKLARACVLL-CDHQVMDDSA-N 1 0 310.441 4.180 20 30 DIEDRO N#C[C@@H]1CC=C(c2ccc3ncn([C@@H]4CCC[NH2+]CC4)c3c2)CC1 ZINC001243796684 1057781479 /nfs/dbraw/zinc/78/14/79/1057781479.db2.gz KFHNSSQULYEMIN-CRAIPNDOSA-N 1 0 320.440 4.058 20 30 DIEDRO COc1ccc(C2=CC[C@@H](C#N)CC2)cc1C[NH+]1CCCCC1 ZINC001243799370 1057781954 /nfs/dbraw/zinc/78/19/54/1057781954.db2.gz YAQMRLOAVWOJKS-MRXNPFEDSA-N 1 0 310.441 4.388 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1Cl ZINC000732916359 1057790436 /nfs/dbraw/zinc/79/04/36/1057790436.db2.gz UDJSCDKVBFNOEN-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000732983986 1057796056 /nfs/dbraw/zinc/79/60/56/1057796056.db2.gz OASLQIMHRKWWRQ-HXUWFJFHSA-N 1 0 308.425 4.418 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000733323169 1057811629 /nfs/dbraw/zinc/81/16/29/1057811629.db2.gz MBFWADDVRXKVOR-UHFFFAOYSA-N 1 0 320.219 4.295 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccccc2OCC(C)C)cc1 ZINC000733325200 1057812672 /nfs/dbraw/zinc/81/26/72/1057812672.db2.gz DFBCSFKYNBFNDW-UHFFFAOYSA-N 1 0 323.436 4.023 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(OCCCC)c2)cc1 ZINC000733324623 1057813084 /nfs/dbraw/zinc/81/30/84/1057813084.db2.gz OIKGNUJGTQOFCT-UHFFFAOYSA-N 1 0 323.436 4.167 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000733327740 1057813569 /nfs/dbraw/zinc/81/35/69/1057813569.db2.gz ADFCFURFTWBAKW-UHFFFAOYSA-N 1 0 305.421 4.125 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3C)cc1 ZINC000733328220 1057813698 /nfs/dbraw/zinc/81/36/98/1057813698.db2.gz LWKSNXVITUYEJZ-OAQYLSRUSA-N 1 0 305.421 4.174 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC(C)(c3ccccc3)C2)cc1 ZINC000733326639 1057814192 /nfs/dbraw/zinc/81/41/92/1057814192.db2.gz QHWMARKOBNDRJY-YQHFOJDRSA-N 1 0 320.436 4.187 20 30 DIEDRO C[N@@H+]1CC[C@@H](c2ccc(-c3cccc(C4(C#N)CC4)c3)cc2)C1 ZINC001244076330 1057859777 /nfs/dbraw/zinc/85/97/77/1057859777.db2.gz OYQRTBKISXJBLQ-LJQANCHMSA-N 1 0 302.421 4.328 20 30 DIEDRO N#CC1(c2cccc(-c3ccc(C[NH+]4CCCCC4)cn3)c2)CC1 ZINC001244075700 1057859958 /nfs/dbraw/zinc/85/99/58/1057859958.db2.gz YFZLVCSHMLVKPS-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO Cc1ccc(-c2ccc(N)c(C#N)c2)c(C[NH+]2CCCCC2)c1 ZINC001244118143 1057874753 /nfs/dbraw/zinc/87/47/53/1057874753.db2.gz PXDSNGMIXRTJIZ-UHFFFAOYSA-N 1 0 305.425 4.102 20 30 DIEDRO Cc1ccc(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)cc1C#N ZINC001244494719 1057975166 /nfs/dbraw/zinc/97/51/66/1057975166.db2.gz YXMUKPPJFMNVOS-UHFFFAOYSA-N 1 0 312.363 4.408 20 30 DIEDRO Cc1ccc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])cc1C#N ZINC001244496286 1057975446 /nfs/dbraw/zinc/97/54/46/1057975446.db2.gz PTLTZCFDIAXMRX-SFTDATJTSA-N 1 0 320.436 4.320 20 30 DIEDRO Cc1ccc(-c2ccc(SC3CC[NH2+]CC3)cc2)cc1C#N ZINC001244496873 1057975646 /nfs/dbraw/zinc/97/56/46/1057975646.db2.gz XIGAGRSAWKQOIG-UHFFFAOYSA-N 1 0 308.450 4.378 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cc(C#N)ccc2F)nc1 ZINC001244552353 1057993542 /nfs/dbraw/zinc/99/35/42/1057993542.db2.gz DLODPEMAOALOND-IBGZPJMESA-N 1 0 309.388 4.306 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(OC)c(C#N)c2)ccc1F ZINC001244710829 1058033160 /nfs/dbraw/zinc/03/31/60/1058033160.db2.gz OGWRTIAUSFURNZ-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1cccc2c1C1(CC2)CC[NH2+]CC1 ZINC001244725388 1058035587 /nfs/dbraw/zinc/03/55/87/1058035587.db2.gz VEHIKCLRDMMQLR-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO Cc1c(C#N)cccc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC001244817091 1058051984 /nfs/dbraw/zinc/05/19/84/1058051984.db2.gz FPDKWHZOEUGCMC-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO Cc1c(C#N)cccc1-c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC001244820221 1058053155 /nfs/dbraw/zinc/05/31/55/1058053155.db2.gz LPBLEXKXQZVELM-UHFFFAOYSA-N 1 0 303.409 4.119 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3cccc(C#N)c3F)c(C)c2)CC1 ZINC001245066080 1058105859 /nfs/dbraw/zinc/10/58/59/1058105859.db2.gz UYZDIVNMKUEZMD-UHFFFAOYSA-N 1 0 321.399 4.177 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1-c1cccc(C#N)c1F ZINC001245073073 1058107229 /nfs/dbraw/zinc/10/72/29/1058107229.db2.gz ZMUPQJKVSQMPOU-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2cccc(C#N)c2F)c1F ZINC001245072109 1058107241 /nfs/dbraw/zinc/10/72/41/1058107241.db2.gz CWIDOIBSYUHDEP-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO N#Cc1c(C(F)(F)F)ccnc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245347613 1058149110 /nfs/dbraw/zinc/14/91/10/1058149110.db2.gz SFEAAMHUBYRZBD-HNNXBMFYSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1nc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)ccc1C(F)(F)F ZINC001245348097 1058149183 /nfs/dbraw/zinc/14/91/83/1058149183.db2.gz WEJSXVVUVZITRF-AWEZNQCLSA-N 1 0 317.314 4.064 20 30 DIEDRO N#CCc1c[nH]c2cccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)c12 ZINC001245358681 1058151542 /nfs/dbraw/zinc/15/15/42/1058151542.db2.gz YINTYEOZKAJEBD-GOSISDBHSA-N 1 0 301.393 4.325 20 30 DIEDRO CC(C)[C@H](C#N)c1ccc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001245426010 1058164807 /nfs/dbraw/zinc/16/48/07/1058164807.db2.gz LQPILRJTEVPKCE-RTWAWAEBSA-N 1 0 324.468 4.218 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(NC(C)=O)nc2)cc1 ZINC001245516020 1058193955 /nfs/dbraw/zinc/19/39/55/1058193955.db2.gz IEKHDLRNKBEPSS-IBGZPJMESA-N 1 0 321.424 4.030 20 30 DIEDRO N#Cc1cc2c(cccc2-c2ccc(C3CC[NH2+]CC3)cc2)[nH]1 ZINC001245527101 1058205482 /nfs/dbraw/zinc/20/54/82/1058205482.db2.gz UUVXFHNFTGFPTO-UHFFFAOYSA-N 1 0 301.393 4.174 20 30 DIEDRO Cc1ccc2[nH]c(-c3ccccc3C3(C#N)CC[NH2+]CC3)cc2c1 ZINC001245571038 1058236165 /nfs/dbraw/zinc/23/61/65/1058236165.db2.gz GCMIILHNNULRKT-UHFFFAOYSA-N 1 0 315.420 4.288 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cc(C)ccc2C#N)nc1 ZINC001245602466 1058280904 /nfs/dbraw/zinc/28/09/04/1058280904.db2.gz BFWHBGJGGMFBRI-FQEVSTJZSA-N 1 0 305.425 4.476 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(OC)cc2OC)cc1 ZINC001245614356 1058285546 /nfs/dbraw/zinc/28/55/46/1058285546.db2.gz WZCIEXVCRBXDOD-SFHVURJKSA-N 1 0 324.424 4.089 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2cccc(C3(C#N)CCOCC3)c2)cc1 ZINC001245908871 1058612876 /nfs/dbraw/zinc/61/28/76/1058612876.db2.gz APUSFKCKSXOIJZ-UHFFFAOYSA-N 1 0 320.436 4.119 20 30 DIEDRO CCCCCCCC[C@H](O)CNc1ccc(C(C)(C)C[NH3+])cc1 ZINC001245959812 1058648302 /nfs/dbraw/zinc/64/83/02/1058648302.db2.gz LCUWBGAABRHVJE-IBGZPJMESA-N 1 0 320.521 4.446 20 30 DIEDRO CCCCCCCCCC[C@H](O)CNc1ccc(C[NH3+])cc1 ZINC001245963858 1058649878 /nfs/dbraw/zinc/64/98/78/1058649878.db2.gz YYHZHOAEPZEQIT-IBGZPJMESA-N 1 0 306.494 4.449 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccccc1N ZINC001245989904 1058653634 /nfs/dbraw/zinc/65/36/34/1058653634.db2.gz ZHIVXOCTQTWFMP-SFHVURJKSA-N 1 0 306.494 4.250 20 30 DIEDRO C=CCCCCCC[C@@H](O)CNc1cccc(C[NH2+]CC)c1 ZINC001245969249 1058653879 /nfs/dbraw/zinc/65/38/79/1058653879.db2.gz GJVXKKYKVYRKMM-LJQANCHMSA-N 1 0 304.478 4.096 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]CCc1cccc(N)c1 ZINC001246019986 1058656106 /nfs/dbraw/zinc/65/61/06/1058656106.db2.gz QOJBTRQICMLLQS-FQEVSTJZSA-N 1 0 320.521 4.293 20 30 DIEDRO C=CCCCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001556898365 1058667231 /nfs/dbraw/zinc/66/72/31/1058667231.db2.gz FRCCAAMWWJYAGE-SFHVURJKSA-N 1 0 306.494 4.036 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246137355 1058693066 /nfs/dbraw/zinc/69/30/66/1058693066.db2.gz YHHDNPBQBCSXLR-QBUWPKIASA-N 1 0 310.526 4.015 20 30 DIEDRO CCCCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C1CCCC1 ZINC001278436614 1058746952 /nfs/dbraw/zinc/74/69/52/1058746952.db2.gz NDQJFIJFMGDQJJ-UXHICEINSA-N 1 0 322.537 4.065 20 30 DIEDRO CCCCCCCCCCC[C@@H](CC)[NH2+]C[C@@H](N)COC ZINC001246241454 1058763383 /nfs/dbraw/zinc/76/33/83/1058763383.db2.gz RWBMYALXMNYFFP-QZTJIDSGSA-N 1 0 300.531 4.249 20 30 DIEDRO CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001557556596 1058766520 /nfs/dbraw/zinc/76/65/20/1058766520.db2.gz QDGKSQCQQNVZEO-QGZVFWFLSA-N 1 0 308.510 4.260 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)NC1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246316677 1058827042 /nfs/dbraw/zinc/82/70/42/1058827042.db2.gz JFYGCZGAEJXLDM-GVDBMIGSSA-N 1 0 316.489 4.211 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2 ZINC001246390999 1058896498 /nfs/dbraw/zinc/89/64/98/1058896498.db2.gz QPQAHCFTLOPJIJ-AKHDSKFASA-N 1 0 310.526 4.015 20 30 DIEDRO CCCCCCCCC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC001530061219 1058924714 /nfs/dbraw/zinc/92/47/14/1058924714.db2.gz QZKFJIHRPPSEQB-SFHVURJKSA-N 1 0 316.489 4.257 20 30 DIEDRO C[NH+](C)[C@H](CNc1cc(F)ccc1C#N)c1ccc(Cl)cc1 ZINC001559123627 1059010829 /nfs/dbraw/zinc/01/08/29/1059010829.db2.gz JFDCDSFOPKDWNV-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO CC(C)(C)[C@H]1C[C@@H](N(CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771237 1059072350 /nfs/dbraw/zinc/07/23/50/1059072350.db2.gz XAXZNCNMGFEEGW-RBUKOAKNSA-N 1 0 319.537 4.482 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@@H](N(CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246771235 1059075089 /nfs/dbraw/zinc/07/50/89/1059075089.db2.gz XAXZNCNMGFEEGW-OALUTQOASA-N 1 0 319.537 4.482 20 30 DIEDRO CCCCCCC[C@H](CC)N(Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC001246956827 1059204039 /nfs/dbraw/zinc/20/40/39/1059204039.db2.gz AJIHWKOQKRWHJE-VQTJNVASSA-N 1 0 317.521 4.385 20 30 DIEDRO C=CC[N@@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC001559493019 1059269375 /nfs/dbraw/zinc/26/93/75/1059269375.db2.gz MOLLOIYKKQHUSO-PXNSSMCTSA-N 1 0 317.473 4.279 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](OC)C1CCCCC1 ZINC001559493152 1059270023 /nfs/dbraw/zinc/27/00/23/1059270023.db2.gz QFFHSQUZAHCVEJ-FQEVSTJZSA-N 1 0 317.473 4.279 20 30 DIEDRO C=CC[N@@H+](CCCCC1CCOCC1)Cc1ccccc1F ZINC001559495288 1059273244 /nfs/dbraw/zinc/27/32/44/1059273244.db2.gz AMSPVDOTNCWPFW-UHFFFAOYSA-N 1 0 305.437 4.411 20 30 DIEDRO Fc1ccc(C#CC[N@@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC001559496951 1059277077 /nfs/dbraw/zinc/27/70/77/1059277077.db2.gz BLXUSCCOJNRVCB-UHFFFAOYSA-N 1 0 307.412 4.480 20 30 DIEDRO CCC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ccccc2C1 ZINC001559498121 1059279823 /nfs/dbraw/zinc/27/98/23/1059279823.db2.gz WVGRCFFXFVSCHW-NRFANRHFSA-N 1 0 304.437 4.328 20 30 DIEDRO C=CC[N@H+](CCOC1CCCCCC1)CCc1ccccc1 ZINC001559513023 1059307880 /nfs/dbraw/zinc/30/78/80/1059307880.db2.gz DRQQHOTXKMVDDL-UHFFFAOYSA-N 1 0 301.474 4.457 20 30 DIEDRO C=CC1CC[NH+](CCCCCn2c(C)nc3ccccc32)CC1 ZINC001559541710 1059343487 /nfs/dbraw/zinc/34/34/87/1059343487.db2.gz DGUZUFLHLKUHSS-UHFFFAOYSA-N 1 0 311.473 4.413 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC001559555138 1059371716 /nfs/dbraw/zinc/37/17/16/1059371716.db2.gz SEGAOAUMEHTMHC-FXAWDEMLSA-N 1 0 304.437 4.439 20 30 DIEDRO CC(C)(C)C[N@H+](CCC#N)CCc1ccccc1Br ZINC001559554023 1059372246 /nfs/dbraw/zinc/37/22/46/1059372246.db2.gz QUXJAAWFJQPVQO-UHFFFAOYSA-N 1 0 323.278 4.253 20 30 DIEDRO CCC(CC)(CC)[NH2+]Cc1ccc(C#N)cc1Br ZINC001559602161 1059434457 /nfs/dbraw/zinc/43/44/57/1059434457.db2.gz CBFGHAKJULSRSS-UHFFFAOYSA-N 1 0 309.251 4.379 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC[C@H]2CCCO2)C(C)(C)C)cc1 ZINC001559638367 1059463026 /nfs/dbraw/zinc/46/30/26/1059463026.db2.gz YPQMXFFHFAKBLV-GOSISDBHSA-N 1 0 317.473 4.421 20 30 DIEDRO CCCCC[C@H]1CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001559650339 1059479702 /nfs/dbraw/zinc/47/97/02/1059479702.db2.gz BKOZPQBFVRYPNA-SFHVURJKSA-N 1 0 300.446 4.372 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)o1 ZINC001559662094 1059493224 /nfs/dbraw/zinc/49/32/24/1059493224.db2.gz PFIDZLQXSWBICB-GOSISDBHSA-N 1 0 308.425 4.386 20 30 DIEDRO CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC001559673991 1059498350 /nfs/dbraw/zinc/49/83/50/1059498350.db2.gz ANQPICNWEUEKGU-RTWAWAEBSA-N 1 0 305.421 4.249 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC001559676633 1059501062 /nfs/dbraw/zinc/50/10/62/1059501062.db2.gz NCPQTNYAPRIFPY-UHFFFAOYSA-N 1 0 300.627 4.253 20 30 DIEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC1(CC#N)CC1 ZINC001559680524 1059509784 /nfs/dbraw/zinc/50/97/84/1059509784.db2.gz CHLALJQTFKIYDF-QGZVFWFLSA-N 1 0 300.446 4.456 20 30 DIEDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001559691042 1059518868 /nfs/dbraw/zinc/51/88/68/1059518868.db2.gz ZVYOVYAGXROGRC-AWEZNQCLSA-N 1 0 312.388 4.174 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OC)c(Cl)c1 ZINC001559689574 1059520175 /nfs/dbraw/zinc/52/01/75/1059520175.db2.gz RVBRLKMKGDPMIQ-UHFFFAOYSA-N 1 0 305.805 4.172 20 30 DIEDRO N#Cc1ccccc1OCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC001559704024 1059532228 /nfs/dbraw/zinc/53/22/28/1059532228.db2.gz BGRAAMPSZMJMQE-LJQANCHMSA-N 1 0 306.409 4.068 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1Oc1ccccc1 ZINC001559710369 1059538255 /nfs/dbraw/zinc/53/82/55/1059538255.db2.gz HKCHGTGNRNKCEY-DLBZAZTESA-N 1 0 311.425 4.457 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCc3cccc(F)c3)CC2)cc1 ZINC001559715135 1059544075 /nfs/dbraw/zinc/54/40/75/1059544075.db2.gz RUZVEXUTUMZHAO-UHFFFAOYSA-N 1 0 306.384 4.029 20 30 DIEDRO C=C(C)[C@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001559767118 1059602841 /nfs/dbraw/zinc/60/28/41/1059602841.db2.gz STEQCBZDVBWBOS-KHYOSLBOSA-N 1 0 322.443 4.150 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC001559766803 1059603790 /nfs/dbraw/zinc/60/37/90/1059603790.db2.gz NZVBGCGKDIXIRJ-LJQANCHMSA-N 1 0 312.363 4.286 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC001559767130 1059604214 /nfs/dbraw/zinc/60/42/14/1059604214.db2.gz SWRNEPBRMLOGLG-MOPGFXCFSA-N 1 0 317.379 4.214 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001559773479 1059610052 /nfs/dbraw/zinc/61/00/52/1059610052.db2.gz PHQCPGYBOMRUBW-CKEIUWERSA-N 1 0 309.375 4.471 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1(CC)CC ZINC001559774802 1059613428 /nfs/dbraw/zinc/61/34/28/1059613428.db2.gz FTKCVHUZCDPTQP-ZWKOTPCHSA-N 1 0 319.876 4.265 20 30 DIEDRO CCCCCCCC[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001559788068 1059621923 /nfs/dbraw/zinc/62/19/23/1059621923.db2.gz UDTWMLALSOLPQW-UHFFFAOYSA-N 1 0 322.468 4.317 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CCC(=O)Nc2ccccc2)CCCC1(C)C ZINC001559797218 1059631309 /nfs/dbraw/zinc/63/13/09/1059631309.db2.gz KMPAIZVFHMKLPO-KRWDZBQOSA-N 1 0 300.446 4.082 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2cccc(Br)n2)CCCC1(C)C ZINC001559797076 1059631371 /nfs/dbraw/zinc/63/13/71/1059631371.db2.gz GBDGYABIELPHAI-AWEZNQCLSA-N 1 0 323.278 4.411 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2ccncc2Br)CCCC1(C)C ZINC001559797735 1059631796 /nfs/dbraw/zinc/63/17/96/1059631796.db2.gz YOTOUQBABBMYPL-HNNXBMFYSA-N 1 0 323.278 4.411 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2ccc(C)c(C(=O)OC)c2)CCCC1(C)C ZINC001559797031 1059631994 /nfs/dbraw/zinc/63/19/94/1059631994.db2.gz DVPIZKJRGGLFBP-SFHVURJKSA-N 1 0 315.457 4.348 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CC(=O)NCCC2CCCCC2)CCCC1(C)C ZINC001559797022 1059632289 /nfs/dbraw/zinc/63/22/89/1059632289.db2.gz DMBVBMHOAKPNFI-SFHVURJKSA-N 1 0 320.521 4.140 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)CCCC1(C)C ZINC001559796953 1059632320 /nfs/dbraw/zinc/63/23/20/1059632320.db2.gz BTKMXCCVMGEQPF-SJORKVTESA-N 1 0 309.400 4.065 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2ccncc2Br)CCCC1(C)C ZINC001559797736 1059633035 /nfs/dbraw/zinc/63/30/35/1059633035.db2.gz YOTOUQBABBMYPL-OAHLLOKOSA-N 1 0 323.278 4.411 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)CCCC1(C)C ZINC001559796950 1059633469 /nfs/dbraw/zinc/63/34/69/1059633469.db2.gz BTKMXCCVMGEQPF-DLBZAZTESA-N 1 0 309.400 4.065 20 30 DIEDRO C#CCn1ccc(C[N@H+](CC)CC2CCC(C(C)(C)C)CC2)n1 ZINC001559804527 1059639686 /nfs/dbraw/zinc/63/96/86/1059639686.db2.gz OFXFAGOURQQBPY-UHFFFAOYSA-N 1 0 315.505 4.191 20 30 DIEDRO Cc1ccc([C@H]2CC[N@H+](Cc3ccc(C)c(C#N)c3)C2)c(C)c1 ZINC001559810032 1059645908 /nfs/dbraw/zinc/64/59/08/1059645908.db2.gz WWQIIRFRNIHILD-IBGZPJMESA-N 1 0 304.437 4.473 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@@H](C)[C@H]1OC ZINC001559811012 1059646802 /nfs/dbraw/zinc/64/68/02/1059646802.db2.gz BRIPWDFODXFEGL-CSMYWGQOSA-N 1 0 320.864 4.141 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC001559816536 1059652429 /nfs/dbraw/zinc/65/24/29/1059652429.db2.gz INSPHHXJKOMMHN-BDTNDASRSA-N 1 0 316.448 4.369 20 30 DIEDRO C[C@@H]([NH2+]CCc1nsc2ccccc21)c1ccc(C#N)cc1 ZINC001559832780 1059665934 /nfs/dbraw/zinc/66/59/34/1059665934.db2.gz ZTOCHRMDSDCTCY-CYBMUJFWSA-N 1 0 307.422 4.061 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001559873404 1059693138 /nfs/dbraw/zinc/69/31/38/1059693138.db2.gz QLMVUWRPTJXXMN-OALUTQOASA-N 1 0 307.453 4.147 20 30 DIEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559879676 1059699359 /nfs/dbraw/zinc/69/93/59/1059699359.db2.gz OTARGGYTCHLLAH-BBRMVZONSA-N 1 0 315.417 4.113 20 30 DIEDRO CCCN(CC[NH+]1CCCCCC1)CCC1(C#N)CCCCC1 ZINC001559878134 1059700285 /nfs/dbraw/zinc/70/02/85/1059700285.db2.gz TVKNQKVMLRFSJS-UHFFFAOYSA-N 1 0 319.537 4.439 20 30 DIEDRO CC(C)CC1(C)CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001559884161 1059702643 /nfs/dbraw/zinc/70/26/43/1059702643.db2.gz MBVGHMUCTHRGKG-UHFFFAOYSA-N 1 0 300.446 4.237 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC001559894509 1059710571 /nfs/dbraw/zinc/71/05/71/1059710571.db2.gz STERLUPAMRQLOH-CQSZACIVSA-N 1 0 314.816 4.331 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC001559907375 1059726104 /nfs/dbraw/zinc/72/61/04/1059726104.db2.gz FMKRDKONKAMTLZ-SFHVURJKSA-N 1 0 308.510 4.214 20 30 DIEDRO C=CCCC(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001525044038 1059729765 /nfs/dbraw/zinc/72/97/65/1059729765.db2.gz WNCHUMLPFFNUEK-UHFFFAOYSA-N 1 0 320.864 4.125 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccn1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001559911568 1059730292 /nfs/dbraw/zinc/73/02/92/1059730292.db2.gz MOOSGWYLLNUEMA-PMACEKPBSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001559930640 1059744425 /nfs/dbraw/zinc/74/44/25/1059744425.db2.gz BIKUOLYKGKHIRS-ZDUSSCGKSA-N 1 0 309.800 4.276 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC001559939419 1059753879 /nfs/dbraw/zinc/75/38/79/1059753879.db2.gz PUXXYFUAUBFTLR-AWEZNQCLSA-N 1 0 314.816 4.230 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@H]3CCCC4(CCC4)O3)CCC2)cc1 ZINC001559947516 1059760445 /nfs/dbraw/zinc/76/04/45/1059760445.db2.gz UYBSINVGQYODGP-GOSISDBHSA-N 1 0 310.441 4.019 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C)c(F)c1 ZINC001559993563 1059796520 /nfs/dbraw/zinc/79/65/20/1059796520.db2.gz ZZWPHGMGDSFZQQ-CRAIPNDOSA-N 1 0 318.436 4.187 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)CCCC1 ZINC001560001497 1059807572 /nfs/dbraw/zinc/80/75/72/1059807572.db2.gz BOHWLYYAMSJVHV-UHFFFAOYSA-N 1 0 314.473 4.401 20 30 DIEDRO C=CC[N@@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001560004879 1059811482 /nfs/dbraw/zinc/81/14/82/1059811482.db2.gz BKBHBNSNISZNQG-INIZCTEOSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CCCCCC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001560006955 1059814010 /nfs/dbraw/zinc/81/40/10/1059814010.db2.gz QBVBVQHHIVXABG-GDBMZVCRSA-N 1 0 313.363 4.257 20 30 DIEDRO Cc1csc(Nc2ccc(OCCC[NH+](C)C)cc2)c1C#N ZINC001248403955 1059814892 /nfs/dbraw/zinc/81/48/92/1059814892.db2.gz VAKVCEZNHRGTSV-UHFFFAOYSA-N 1 0 315.442 4.002 20 30 DIEDRO C[C@H](C#N)c1ccc(Nc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC001248414218 1059822041 /nfs/dbraw/zinc/82/20/41/1059822041.db2.gz XZLVUQVRGRDAHP-MRXNPFEDSA-N 1 0 323.440 4.388 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC001560027186 1059841592 /nfs/dbraw/zinc/84/15/92/1059841592.db2.gz VGAPEVLRBSFKNK-AWEZNQCLSA-N 1 0 313.363 4.372 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC001560026819 1059842234 /nfs/dbraw/zinc/84/22/34/1059842234.db2.gz HPNPOUXACNXXTP-QGZVFWFLSA-N 1 0 312.482 4.326 20 30 DIEDRO C[C@H](CCc1ccccc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001560042013 1059854420 /nfs/dbraw/zinc/85/44/20/1059854420.db2.gz CMJHNUNUJJDCNE-QGZVFWFLSA-N 1 0 304.437 4.132 20 30 DIEDRO C[N@H+](CCCOc1cccc(C(C)(C)C)c1)[C@H]1CCC[C@H]1C#N ZINC001560060579 1059871411 /nfs/dbraw/zinc/87/14/11/1059871411.db2.gz QMECYVOYXBIOSP-LPHOPBHVSA-N 1 0 314.473 4.377 20 30 DIEDRO Cc1cccc(Br)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001248619260 1059918837 /nfs/dbraw/zinc/91/88/37/1059918837.db2.gz YINUMPSERJDLIR-ZSOGYDGISA-N 1 0 319.246 4.024 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cc(Cl)cc(Cl)c1F ZINC001560128387 1059928967 /nfs/dbraw/zinc/92/89/67/1059928967.db2.gz JOYAQCLWGVNRPN-IQJOONFLSA-N 1 0 301.192 4.475 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cc(Cl)cc(Cl)c1F ZINC001560128389 1059929505 /nfs/dbraw/zinc/92/95/05/1059929505.db2.gz JOYAQCLWGVNRPN-NGZCFLSTSA-N 1 0 301.192 4.475 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001560133408 1059933456 /nfs/dbraw/zinc/93/34/56/1059933456.db2.gz XKKLWICUCSVZNN-FOIQADDNSA-N 1 0 306.409 4.150 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001560133410 1059933958 /nfs/dbraw/zinc/93/39/58/1059933958.db2.gz XKKLWICUCSVZNN-QRWLVFNGSA-N 1 0 306.409 4.150 20 30 DIEDRO C=CCC1(O)CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC001560155943 1059948746 /nfs/dbraw/zinc/94/87/46/1059948746.db2.gz YNAMPHVPUHFMDZ-UHFFFAOYSA-N 1 0 315.844 4.396 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC001560150110 1059949491 /nfs/dbraw/zinc/94/94/91/1059949491.db2.gz MATZEBISVWHUQA-IBGZPJMESA-N 1 0 324.509 4.338 20 30 DIEDRO C#CCC1([NH2+][C@H]2CCCc3ccc(Br)cc32)CCC1 ZINC001560165715 1059961052 /nfs/dbraw/zinc/96/10/52/1059961052.db2.gz TYJOBJJJTZTMGB-INIZCTEOSA-N 1 0 318.258 4.362 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+](CC)Cc1cccc(OC)c1 ZINC001248751857 1059963527 /nfs/dbraw/zinc/96/35/27/1059963527.db2.gz MZOXNXUMQNEVIC-UHFFFAOYSA-N 1 0 308.425 4.151 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001248750993 1059964850 /nfs/dbraw/zinc/96/48/50/1059964850.db2.gz FNTGQXYDNVPLID-OAQYLSRUSA-N 1 0 320.436 4.164 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Oc2ccccc2C)C1 ZINC001248751427 1059965692 /nfs/dbraw/zinc/96/56/92/1059965692.db2.gz WMXQRJOLLDUKMQ-HXUWFJFHSA-N 1 0 320.436 4.082 20 30 DIEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CCC(C)(C)O2)CC1 ZINC001248752322 1059965726 /nfs/dbraw/zinc/96/57/26/1059965726.db2.gz HQIXYZWILITCKA-UHFFFAOYSA-N 1 0 312.457 4.044 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCc2cc(Cl)ccc21 ZINC001560180655 1059967537 /nfs/dbraw/zinc/96/75/37/1059967537.db2.gz DLLBCCRNBPJSMM-MRXNPFEDSA-N 1 0 302.830 4.392 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001248752761 1059968575 /nfs/dbraw/zinc/96/85/75/1059968575.db2.gz ZLRFOMAHSCSTBK-KDURUIRLSA-N 1 0 302.421 4.207 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCCc2ccc(F)cc21 ZINC001560181253 1059973023 /nfs/dbraw/zinc/97/30/23/1059973023.db2.gz MNWQQQAXMCCEPK-KRWDZBQOSA-N 1 0 300.402 4.268 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC001560205884 1059986468 /nfs/dbraw/zinc/98/64/68/1059986468.db2.gz JQMULZREGSTFCG-XYJFISCASA-N 1 0 322.452 4.056 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]CCc1ccc(C#N)cc1)C(C)(C)C ZINC001560208571 1059987217 /nfs/dbraw/zinc/98/72/17/1059987217.db2.gz HUQPRGICFDJMNY-IBGZPJMESA-N 1 0 307.441 4.181 20 30 DIEDRO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC001560216948 1059992661 /nfs/dbraw/zinc/99/26/61/1059992661.db2.gz DGWKZNNUMAFKGN-OALUTQOASA-N 1 0 317.521 4.045 20 30 DIEDRO C=CCN(Cc1ccccc1)Cc1ccnc(SC(C)C)n1 ZINC001248832827 1060006535 /nfs/dbraw/zinc/00/65/35/1060006535.db2.gz FXGXTHHCXSICBD-UHFFFAOYSA-N 1 0 313.470 4.165 20 30 DIEDRO C=CC[N@@H+](Cc1ccnc(SC(C)C)n1)C1CCCCC1 ZINC001248833347 1060007584 /nfs/dbraw/zinc/00/75/84/1060007584.db2.gz BENYNKQJUQXGAA-UHFFFAOYSA-N 1 0 305.491 4.298 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2C#N)CC1 ZINC001560252207 1060018600 /nfs/dbraw/zinc/01/86/00/1060018600.db2.gz OZSIIOBQMKROBJ-MAUKXSAKSA-N 1 0 302.487 4.350 20 30 DIEDRO C=CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001560253741 1060020574 /nfs/dbraw/zinc/02/05/74/1060020574.db2.gz CKKSZOSSJAFWNZ-UHFFFAOYSA-N 1 0 318.760 4.316 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC001560261270 1060030313 /nfs/dbraw/zinc/03/03/13/1060030313.db2.gz YWJUFDQLQHQPNE-NVXWUHKLSA-N 1 0 303.446 4.317 20 30 DIEDRO CC(C)(C)c1cc(O)c(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001248883737 1060035579 /nfs/dbraw/zinc/03/55/79/1060035579.db2.gz PDYBVARIGBDGFQ-ZDUSSCGKSA-N 1 0 320.864 4.469 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)N[C@@H](C)CC)c2)C1 ZINC001560271981 1060044971 /nfs/dbraw/zinc/04/49/71/1060044971.db2.gz NCUPCEHCLAVYLJ-FCEWJHQRSA-N 1 0 314.473 4.049 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CCC(C)(C)c2ccccc2)cc1 ZINC001560289629 1060071027 /nfs/dbraw/zinc/07/10/27/1060071027.db2.gz BPDRJZZHUPNAHV-UHFFFAOYSA-N 1 0 307.437 4.156 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC(=C)c1ccccc1 ZINC001560314835 1060102434 /nfs/dbraw/zinc/10/24/34/1060102434.db2.gz NEUINUAVBOYZRZ-UHFFFAOYSA-N 1 0 311.812 4.155 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)C1 ZINC001560325589 1060112597 /nfs/dbraw/zinc/11/25/97/1060112597.db2.gz ONSKAZXRUCGLFS-ZIAGYGMSSA-N 1 0 313.363 4.419 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC2(C)C)cc1OC ZINC001560327350 1060115747 /nfs/dbraw/zinc/11/57/47/1060115747.db2.gz GVTPAMYLKNABOW-ZDUSSCGKSA-N 1 0 309.837 4.049 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccncc1 ZINC001560338769 1060125266 /nfs/dbraw/zinc/12/52/66/1060125266.db2.gz METVNYUGSAGFMN-INIZCTEOSA-N 1 0 304.340 4.090 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCOc2cccc(C(C)(C)C)c2)cc1 ZINC001560340867 1060126176 /nfs/dbraw/zinc/12/61/76/1060126176.db2.gz OYUFPIZMMKUMIY-UHFFFAOYSA-N 1 0 307.437 4.134 20 30 DIEDRO COc1cc(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)ccc1C ZINC001560346965 1060132282 /nfs/dbraw/zinc/13/22/82/1060132282.db2.gz RHSPAKNEXXDDEV-UHFFFAOYSA-N 1 0 322.452 4.137 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cnsc3)c2)s1 ZINC001560345343 1060132584 /nfs/dbraw/zinc/13/25/84/1060132584.db2.gz OMTDVUKTIAXHKE-UHFFFAOYSA-N 1 0 311.435 4.033 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)C1 ZINC001560345700 1060133340 /nfs/dbraw/zinc/13/33/40/1060133340.db2.gz YJXJPMLPGNNKTP-WCQYABFASA-N 1 0 314.260 4.135 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)Cc2cc(C)cc(C)c2)cc1 ZINC001560356795 1060142641 /nfs/dbraw/zinc/14/26/41/1060142641.db2.gz WPABSDRFUVPQTQ-IBGZPJMESA-N 1 0 321.464 4.426 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2c(C)cccc2C)cc1 ZINC001560374838 1060160834 /nfs/dbraw/zinc/16/08/34/1060160834.db2.gz VBARGMRAARIRJG-UHFFFAOYSA-N 1 0 307.437 4.038 20 30 DIEDRO C=CCc1cc(C[NH2+]CC(C)(C)C2CCCC2)cc(OC)c1O ZINC001560400740 1060185946 /nfs/dbraw/zinc/18/59/46/1060185946.db2.gz YKFMDEQOYVGYFU-UHFFFAOYSA-N 1 0 317.473 4.435 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccccc1 ZINC001560405927 1060190819 /nfs/dbraw/zinc/19/08/19/1060190819.db2.gz UXEBIJXPDBTKNK-SFHVURJKSA-N 1 0 309.388 4.271 20 30 DIEDRO C=CCCOCC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001560429355 1060215024 /nfs/dbraw/zinc/21/50/24/1060215024.db2.gz GEYALNUJYTZIGY-UHFFFAOYSA-N 1 0 307.743 4.041 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC001560440350 1060229766 /nfs/dbraw/zinc/22/97/66/1060229766.db2.gz RLXBLFFOSUAIED-IBGZPJMESA-N 1 0 315.457 4.223 20 30 DIEDRO N#Cc1ccc2cc(C[NH+]3CCC4(CC(F)(F)C4)CC3)[nH]c2c1 ZINC001249426693 1060246471 /nfs/dbraw/zinc/24/64/71/1060246471.db2.gz CHQAYROGFYAXDO-UHFFFAOYSA-N 1 0 315.367 4.051 20 30 DIEDRO CCC[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccc1 ZINC001249429168 1060249249 /nfs/dbraw/zinc/24/92/49/1060249249.db2.gz QHIFFBTYCPJTET-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001560459767 1060250401 /nfs/dbraw/zinc/25/04/01/1060250401.db2.gz KNBYYSXOUUVCOJ-LJQANCHMSA-N 1 0 315.420 4.136 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC001560469249 1060257949 /nfs/dbraw/zinc/25/79/49/1060257949.db2.gz BQFINDLQCKIXJZ-HOTGVXAUSA-N 1 0 302.437 4.260 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C1CCCC1 ZINC001560471543 1060260582 /nfs/dbraw/zinc/26/05/82/1060260582.db2.gz RKBCRLJWIPDIKI-LJQANCHMSA-N 1 0 300.446 4.428 20 30 DIEDRO C=CCC[C@H](CO)[NH2+]Cc1c(Cl)cccc1SC(C)C ZINC001560471511 1060262003 /nfs/dbraw/zinc/26/20/03/1060262003.db2.gz QTMVUHQACSAOPJ-CYBMUJFWSA-N 1 0 313.894 4.257 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(Oc3ccc(O)cc3)c2)CC1 ZINC001249504286 1060265892 /nfs/dbraw/zinc/26/58/92/1060265892.db2.gz BVPPWWPGVRPDHC-UHFFFAOYSA-N 1 0 307.393 4.030 20 30 DIEDRO N#CCC1CC[NH+](Cc2cccc(Oc3ccc(O)cc3)c2)CC1 ZINC001249503716 1060266161 /nfs/dbraw/zinc/26/61/61/1060266161.db2.gz DDYGKQHOQXKUTQ-UHFFFAOYSA-N 1 0 322.408 4.310 20 30 DIEDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC001560483254 1060274651 /nfs/dbraw/zinc/27/46/51/1060274651.db2.gz SFCHXISIZVUCGB-CQSZACIVSA-N 1 0 321.262 4.237 20 30 DIEDRO Cc1cc(C[NH2+]CCc2cc3ccccc3s2)ccc1C#N ZINC001560484919 1060276210 /nfs/dbraw/zinc/27/62/10/1060276210.db2.gz FXSGHVRUAMQDKZ-UHFFFAOYSA-N 1 0 306.434 4.414 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)cc1 ZINC001560487124 1060280422 /nfs/dbraw/zinc/28/04/22/1060280422.db2.gz FCCQFXJDWGRIBW-KRWDZBQOSA-N 1 0 321.411 4.394 20 30 DIEDRO Cc1ccccc1-c1ccccc1C[NH2+]Cc1ccc(C#N)cn1 ZINC001560492739 1060287556 /nfs/dbraw/zinc/28/75/56/1060287556.db2.gz GIUAKLDHIPNZMP-UHFFFAOYSA-N 1 0 313.404 4.219 20 30 DIEDRO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001560503694 1060299585 /nfs/dbraw/zinc/29/95/85/1060299585.db2.gz AIRYJZHOBWBCIE-PXNSSMCTSA-N 1 0 319.452 4.332 20 30 DIEDRO CCCCCCCNC(=S)Nc1ccc(C[NH+](C)C)cc1 ZINC001249640184 1060325877 /nfs/dbraw/zinc/32/58/77/1060325877.db2.gz AJLNZYNFPUUFIC-UHFFFAOYSA-N 1 0 307.507 4.005 20 30 DIEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC001560525057 1060327142 /nfs/dbraw/zinc/32/71/42/1060327142.db2.gz LTQDKQYYYYEUEV-SWLSCSKDSA-N 1 0 321.262 4.235 20 30 DIEDRO CCCCCCCNC(=S)Nc1ccc(CC[NH+](C)C)cc1 ZINC001249643198 1060327401 /nfs/dbraw/zinc/32/74/01/1060327401.db2.gz QVNHJMMBNYAPLD-UHFFFAOYSA-N 1 0 321.534 4.048 20 30 DIEDRO CC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC001560533719 1060337051 /nfs/dbraw/zinc/33/70/51/1060337051.db2.gz WDXHHFOAILWSRJ-LJQANCHMSA-N 1 0 308.425 4.068 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1ccnc(OC)c1F)c1ccccc1 ZINC001560572601 1060383264 /nfs/dbraw/zinc/38/32/64/1060383264.db2.gz UCFXJYHFEXWZGD-QGZVFWFLSA-N 1 0 314.404 4.417 20 30 DIEDRO CCC[C@@H](C[NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC001560571172 1060385518 /nfs/dbraw/zinc/38/55/18/1060385518.db2.gz JEMNITNRXPMEFD-SFHVURJKSA-N 1 0 308.425 4.240 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC001560578109 1060390459 /nfs/dbraw/zinc/39/04/59/1060390459.db2.gz WZARPFYAAWETJX-UAPYVXQJSA-N 1 0 320.436 4.464 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC001560578617 1060391533 /nfs/dbraw/zinc/39/15/33/1060391533.db2.gz ABXZTNLEYOYLCU-UHFFFAOYSA-N 1 0 306.406 4.076 20 30 DIEDRO C=CC[N@@H+](Cc1cc(OC)c(Cl)c(F)c1F)C(C)(C)C ZINC001249803456 1060406577 /nfs/dbraw/zinc/40/65/77/1060406577.db2.gz BJXLRZDNTJFWBD-UHFFFAOYSA-N 1 0 303.780 4.413 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(OC)c(Cl)c(F)c1F ZINC001249801459 1060407153 /nfs/dbraw/zinc/40/71/53/1060407153.db2.gz ITAZPCTUICQGDZ-UHFFFAOYSA-N 1 0 303.780 4.415 20 30 DIEDRO C#CCC1([NH2+]C/C(C)=C/c2ccccc2OC(F)F)CCC1 ZINC001560598573 1060410747 /nfs/dbraw/zinc/41/07/47/1060410747.db2.gz FPLJBXIMJGJSQJ-WYMLVPIESA-N 1 0 305.368 4.227 20 30 DIEDRO COc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1C(C)(C)C ZINC001560616993 1060429143 /nfs/dbraw/zinc/42/91/43/1060429143.db2.gz YBAPXPQNJQPTHU-UHFFFAOYSA-N 1 0 300.446 4.166 20 30 DIEDRO CC1(c2cccc(Br)c2)CCC([NH2+]CCC#N)CC1 ZINC001560616894 1060429228 /nfs/dbraw/zinc/42/92/28/1060429228.db2.gz VCQKBPPWFMIHBZ-UHFFFAOYSA-N 1 0 321.262 4.153 20 30 DIEDRO C=CC1CC[NH+](Cc2cn(-c3ccccc3Cl)nc2C)CC1 ZINC001560629071 1060440931 /nfs/dbraw/zinc/44/09/31/1060440931.db2.gz DFBNYSKSBZDAMN-UHFFFAOYSA-N 1 0 315.848 4.232 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cccc4ccoc43)sc2C1 ZINC001249911544 1060473426 /nfs/dbraw/zinc/47/34/26/1060473426.db2.gz PJJVVVSAOFKVQL-UHFFFAOYSA-N 1 0 309.394 4.097 20 30 DIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1cccc(F)c1C#N ZINC001560676261 1060512956 /nfs/dbraw/zinc/51/29/56/1060512956.db2.gz WMZVOBUJWFGXBO-UHFFFAOYSA-N 1 0 314.379 4.291 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(N(C)C)cc1C)[C@H]1CCc2ccccc21 ZINC001560701480 1060558902 /nfs/dbraw/zinc/55/89/02/1060558902.db2.gz NLWVJFLWLDFORW-QFIPXVFZSA-N 1 0 318.464 4.184 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001560714243 1060569264 /nfs/dbraw/zinc/56/92/64/1060569264.db2.gz BCFMBYKZLQIFLN-ZDUSSCGKSA-N 1 0 309.837 4.145 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001560736789 1060605336 /nfs/dbraw/zinc/60/53/36/1060605336.db2.gz MNKDRPPPGZLYPK-HBFSDRIKSA-N 1 0 300.490 4.231 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC001560806537 1060666328 /nfs/dbraw/zinc/66/63/28/1060666328.db2.gz KQSVDVCKEIBGON-JKSUJKDBSA-N 1 0 313.445 4.446 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC001560814238 1060671191 /nfs/dbraw/zinc/67/11/91/1060671191.db2.gz SGFCEJKYCDHGQT-MSOLQXFVSA-N 1 0 303.446 4.404 20 30 DIEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(CC(F)(F)F)cc1 ZINC001560822152 1060682235 /nfs/dbraw/zinc/68/22/35/1060682235.db2.gz OBYXMKUQHFTNNR-UHFFFAOYSA-N 1 0 317.354 4.427 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](OCC)C1)c1ccc(Cl)cc1F ZINC001560825258 1060684062 /nfs/dbraw/zinc/68/40/62/1060684062.db2.gz GVWOLHBVCVTMQW-CPUCHLNUSA-N 1 0 309.812 4.091 20 30 DIEDRO C#C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1F ZINC001560825098 1060684072 /nfs/dbraw/zinc/68/40/72/1060684072.db2.gz AYUHDYNBGZMVEJ-IFXJQAMLSA-N 1 0 313.803 4.473 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2CCC(c3ccc(OC)cc3)CC2)cc1 ZINC001560840111 1060695620 /nfs/dbraw/zinc/69/56/20/1060695620.db2.gz IXBCFPZXUJNNHS-UHFFFAOYSA-N 1 0 319.448 4.493 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001560853403 1060711221 /nfs/dbraw/zinc/71/12/21/1060711221.db2.gz XSVYESHQUZBPAK-JKSUJKDBSA-N 1 0 324.509 4.214 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cc2cc(Br)ccc2o1)C(C)(C)C ZINC001560863591 1060722750 /nfs/dbraw/zinc/72/27/50/1060722750.db2.gz XNHPZDKLGQLBEU-OAHLLOKOSA-N 1 0 320.230 4.333 20 30 DIEDRO C#C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001560865401 1060724644 /nfs/dbraw/zinc/72/46/44/1060724644.db2.gz YMSIRFZHPNYRQH-KKHYBRAUSA-N 1 0 324.855 4.383 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1 ZINC001560870800 1060729826 /nfs/dbraw/zinc/72/98/26/1060729826.db2.gz QBRKQBKKVOOGIN-NHCUHLMSSA-N 1 0 319.448 4.346 20 30 DIEDRO C[C@@H](CC1CCCCC1)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC001560876302 1060734529 /nfs/dbraw/zinc/73/45/29/1060734529.db2.gz DVWANEJQYXANRU-INIZCTEOSA-N 1 0 312.457 4.228 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(-c2ccccc2)cc1 ZINC001560895399 1060757728 /nfs/dbraw/zinc/75/77/28/1060757728.db2.gz OPIROFOFDLRVIW-HSQYWUDLSA-N 1 0 321.464 4.465 20 30 DIEDRO Cc1cc(OCCC[C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1Cl ZINC001560897454 1060759279 /nfs/dbraw/zinc/75/92/79/1060759279.db2.gz BJBLGHQPNJWBGQ-OWCLPIDISA-N 1 0 320.864 4.478 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC001560903363 1060767190 /nfs/dbraw/zinc/76/71/90/1060767190.db2.gz UDQIPSLDWHVZFZ-PMPSAXMXSA-N 1 0 312.498 4.403 20 30 DIEDRO N#Cc1ccc(-c2csc(Nc3ccc4c[nH+]cn4c3)n2)s1 ZINC001250328492 1060781099 /nfs/dbraw/zinc/78/10/99/1060781099.db2.gz SDEMVRJDLLMOIE-UHFFFAOYSA-N 1 0 323.406 4.135 20 30 DIEDRO Cc1cc[nH+]c(NC2CC(C#N)(c3ccccc3)C2)c1C1CC1 ZINC001560922004 1060784859 /nfs/dbraw/zinc/78/48/59/1060784859.db2.gz GKSHFHNDIUEHBV-UHFFFAOYSA-N 1 0 303.409 4.303 20 30 DIEDRO N#Cc1c(Cl)ccc(Nc2ccc3c[nH+]cn3c2)c1Cl ZINC001250335768 1060786231 /nfs/dbraw/zinc/78/62/31/1060786231.db2.gz PFKKBSYZSQTUTN-UHFFFAOYSA-N 1 0 303.152 4.256 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1c(-c2ccc(F)cc2)nc2ccc(C)cn21 ZINC001560939811 1060802132 /nfs/dbraw/zinc/80/21/32/1060802132.db2.gz RWOQBNRVKBYAHJ-UHFFFAOYSA-N 1 0 323.415 4.457 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC001560944234 1060810322 /nfs/dbraw/zinc/81/03/22/1060810322.db2.gz BNMVJKRVFGZJJM-AWEZNQCLSA-N 1 0 322.290 4.498 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001560948228 1060812697 /nfs/dbraw/zinc/81/26/97/1060812697.db2.gz REHPLGFWTMEWHA-LLVKDONJSA-N 1 0 301.739 4.204 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001560962244 1060827476 /nfs/dbraw/zinc/82/74/76/1060827476.db2.gz WAZRTYNVSGSHOH-BRWVUGGUSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001560970723 1060834885 /nfs/dbraw/zinc/83/48/85/1060834885.db2.gz GVMWUSFLTYAHLG-OAGGEKHMSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCCC[C@H]([NH2+]C1CCC(C(=O)OC)CC1)c1ccccc1 ZINC001560986899 1060851426 /nfs/dbraw/zinc/85/14/26/1060851426.db2.gz MZOPPWIRJNQESL-ACBHZAAOSA-N 1 0 315.457 4.405 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@H]1CC[C@H](C(=O)OC)C1)c1ccccc1 ZINC001560986927 1060852096 /nfs/dbraw/zinc/85/20/96/1060852096.db2.gz NEPLZGVAJURBGY-BZSNNMDCSA-N 1 0 301.430 4.015 20 30 DIEDRO CCSc1ccccc1CC[NH2+]Cc1cccc(F)c1C#N ZINC001561000853 1060861749 /nfs/dbraw/zinc/86/17/49/1060861749.db2.gz DSEGXSQYCKVEHY-UHFFFAOYSA-N 1 0 314.429 4.142 20 30 DIEDRO C[C@@H]([NH2+]C1CC(c2ccc(F)cc2F)C1)c1cccc(C#N)c1 ZINC001561006446 1060866014 /nfs/dbraw/zinc/86/60/14/1060866014.db2.gz RSFKLGZHAYZOHC-OLJMKKDRSA-N 1 0 312.363 4.433 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)CCCCC1 ZINC001561020518 1060876842 /nfs/dbraw/zinc/87/68/42/1060876842.db2.gz JQANAXXDXJPXSS-UHFFFAOYSA-N 1 0 321.848 4.260 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001561048349 1060897787 /nfs/dbraw/zinc/89/77/87/1060897787.db2.gz RWRXMJDEFYEFGU-IRXDYDNUSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001561048348 1060897977 /nfs/dbraw/zinc/89/79/77/1060897977.db2.gz RWRXMJDEFYEFGU-IAGOWNOFSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001561056394 1060905774 /nfs/dbraw/zinc/90/57/74/1060905774.db2.gz NKKUGIYMYXXHBM-KVSKMBFKSA-N 1 0 301.430 4.004 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC001473195125 1060951454 /nfs/dbraw/zinc/95/14/54/1060951454.db2.gz RYWUFCMXKWPUFK-KBXCAEBGSA-N 1 0 324.424 4.442 20 30 DIEDRO N#CC1CCC(C[NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC001462133868 1060956073 /nfs/dbraw/zinc/95/60/73/1060956073.db2.gz COQTXGKNLXPCRN-UHFFFAOYSA-N 1 0 300.471 4.229 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC001473221611 1061001082 /nfs/dbraw/zinc/00/10/82/1061001082.db2.gz BBRDODYJQDUWDC-OAQYLSRUSA-N 1 0 320.436 4.322 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCOC2CC2)C(C)(C)C)cc1 ZINC001473265381 1061039045 /nfs/dbraw/zinc/03/90/45/1061039045.db2.gz SZTCNEVQDHFQEU-UHFFFAOYSA-N 1 0 303.446 4.031 20 30 DIEDRO C=CCCC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001473271426 1061042597 /nfs/dbraw/zinc/04/25/97/1061042597.db2.gz APCADHRAHUHUIM-ZDUSSCGKSA-N 1 0 300.229 4.413 20 30 DIEDRO N#Cc1ccc(OCCC[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC001473271490 1061043145 /nfs/dbraw/zinc/04/31/45/1061043145.db2.gz BZWVZXGYOLEICO-OAQYLSRUSA-N 1 0 320.436 4.458 20 30 DIEDRO C=CCC1(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CCCC1 ZINC001462230191 1061043382 /nfs/dbraw/zinc/04/33/82/1061043382.db2.gz HZVJLZXEIMVQLU-INIZCTEOSA-N 1 0 302.466 4.152 20 30 DIEDRO C[C@@H]1C[C@H](Nc2cccc(CC#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC001462246021 1061051606 /nfs/dbraw/zinc/05/16/06/1061051606.db2.gz DKFZBWJPZRSJCM-UTKZUKDTSA-N 1 0 319.452 4.075 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC001462275716 1061069200 /nfs/dbraw/zinc/06/92/00/1061069200.db2.gz HBLKGJQMWPYNIO-QUCCMNQESA-N 1 0 323.411 4.046 20 30 DIEDRO CC(C)(O)C[N@H+](CCCCC1(C#N)CCC1)Cc1ccccc1 ZINC001473307047 1061073201 /nfs/dbraw/zinc/07/32/01/1061073201.db2.gz FATUQTDZRDJPCX-UHFFFAOYSA-N 1 0 314.473 4.124 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC001473320735 1061085569 /nfs/dbraw/zinc/08/55/69/1061085569.db2.gz CDZLBCCOIVCMKB-QGZVFWFLSA-N 1 0 301.430 4.082 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001473328268 1061090955 /nfs/dbraw/zinc/09/09/55/1061090955.db2.gz WIDPRRXGHLDOIZ-LJQANCHMSA-N 1 0 310.397 4.434 20 30 DIEDRO C#CC[C@@H]([NH2+]C[C@@H](C)COCc1ccccc1)c1ccccc1 ZINC001473332195 1061093247 /nfs/dbraw/zinc/09/32/47/1061093247.db2.gz USIHSCGPKMFPGI-WIYYLYMNSA-N 1 0 307.437 4.194 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC001473333938 1061094785 /nfs/dbraw/zinc/09/47/85/1061094785.db2.gz JKPXSUFXTNGKCI-OAQYLSRUSA-N 1 0 320.436 4.458 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](CCC)c2ccccc2)cc1 ZINC001473337522 1061096334 /nfs/dbraw/zinc/09/63/34/1061096334.db2.gz JHBNLLGUCUKBDE-FQEVSTJZSA-N 1 0 320.436 4.128 20 30 DIEDRO CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC001462307794 1061096864 /nfs/dbraw/zinc/09/68/64/1061096864.db2.gz UGNMYIXJNDTXDF-SJORKVTESA-N 1 0 321.468 4.434 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001473344504 1061101787 /nfs/dbraw/zinc/10/17/87/1061101787.db2.gz RPJHCAPGEMKSNK-UHFFFAOYSA-N 1 0 304.437 4.469 20 30 DIEDRO CCc1ccccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001473344780 1061102833 /nfs/dbraw/zinc/10/28/33/1061102833.db2.gz DCUQEGBUZPAVRZ-UHFFFAOYSA-N 1 0 302.421 4.410 20 30 DIEDRO Cc1ccc(C)c([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)c1 ZINC001473349392 1061106068 /nfs/dbraw/zinc/10/60/68/1061106068.db2.gz AEAZKABOBHMVJC-KRWDZBQOSA-N 1 0 300.446 4.055 20 30 DIEDRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC(C)(C)CC#N ZINC001462327304 1061106599 /nfs/dbraw/zinc/10/65/99/1061106599.db2.gz PJHMUEIXVUOWEH-LLVKDONJSA-N 1 0 315.244 4.290 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cccc2c1NCCC2 ZINC001462332587 1061110112 /nfs/dbraw/zinc/11/01/12/1061110112.db2.gz LFCWFMSQPIRTQX-HXUWFJFHSA-N 1 0 306.453 4.322 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc2c1NCCC2 ZINC001462332583 1061110846 /nfs/dbraw/zinc/11/08/46/1061110846.db2.gz LFCWFMSQPIRTQX-FQEVSTJZSA-N 1 0 306.453 4.322 20 30 DIEDRO CCCCC[N@H+](CCCOC)Cc1c(C)cc(C#N)cc1C ZINC001473375900 1061119173 /nfs/dbraw/zinc/11/91/73/1061119173.db2.gz UWQBZYHLWJOGJD-UHFFFAOYSA-N 1 0 302.462 4.204 20 30 DIEDRO C=C(CC)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC001473372626 1061119338 /nfs/dbraw/zinc/11/93/38/1061119338.db2.gz BBEDQTRLWIQIEQ-LJQANCHMSA-N 1 0 323.415 4.473 20 30 DIEDRO COc1ccccc1C[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(C)C ZINC001473371483 1061119412 /nfs/dbraw/zinc/11/94/12/1061119412.db2.gz XFCXITAZRSNXJY-UZLBHIALSA-N 1 0 322.452 4.485 20 30 DIEDRO COc1ccccc1C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(C)C ZINC001473371481 1061119685 /nfs/dbraw/zinc/11/96/85/1061119685.db2.gz XFCXITAZRSNXJY-OXJNMPFZSA-N 1 0 322.452 4.485 20 30 DIEDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001462378057 1061137873 /nfs/dbraw/zinc/13/78/73/1061137873.db2.gz UKOPMSHRPIYXJF-NVXWUHKLSA-N 1 0 300.421 4.346 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@@H]1C ZINC001473405090 1061139832 /nfs/dbraw/zinc/13/98/32/1061139832.db2.gz ZXQVVYURWYXALR-XHBSWPGZSA-N 1 0 321.262 4.235 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001473406334 1061140809 /nfs/dbraw/zinc/14/08/09/1061140809.db2.gz RHDIIPJOYSLKPP-MRXNPFEDSA-N 1 0 312.457 4.359 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CCC2)cc1 ZINC001462386642 1061141480 /nfs/dbraw/zinc/14/14/80/1061141480.db2.gz UWJYWGICTXLSGV-AZUAARDMSA-N 1 0 302.421 4.331 20 30 DIEDRO C=C(C)C(C)(C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001462405483 1061152215 /nfs/dbraw/zinc/15/22/15/1061152215.db2.gz SPKZIXIUNNROGB-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO CC(C)=CCC[C@@H](C)CC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001462410891 1061156260 /nfs/dbraw/zinc/15/62/60/1061156260.db2.gz NNSLDHJBTWPLFY-XLIONFOSSA-N 1 0 314.473 4.296 20 30 DIEDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H](C)CCC#N)cc1 ZINC001462409282 1061156302 /nfs/dbraw/zinc/15/63/02/1061156302.db2.gz FKTYVVISZGOCSO-WMZOPIPTSA-N 1 0 300.446 4.032 20 30 DIEDRO C=CCC1([NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)CCOCC1 ZINC001462413790 1061158538 /nfs/dbraw/zinc/15/85/38/1061158538.db2.gz LBWSYNLKWANWPI-KRWDZBQOSA-N 1 0 313.485 4.211 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(Cl)c(C(=O)OC)n1 ZINC001462416064 1061159955 /nfs/dbraw/zinc/15/99/55/1061159955.db2.gz CQUVYIAWVIKZED-ZDUSSCGKSA-N 1 0 324.852 4.136 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)[C@@H](C)[C@H]1OC ZINC001473446742 1061162935 /nfs/dbraw/zinc/16/29/35/1061162935.db2.gz GTBHYQYTJVYIDV-DTTOXWODSA-N 1 0 300.446 4.049 20 30 DIEDRO C=C(Br)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001473452106 1061167127 /nfs/dbraw/zinc/16/71/27/1061167127.db2.gz KIBHDEYULXGYOJ-OAGGEKHMSA-N 1 0 306.247 4.163 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C12CCCC2 ZINC001473457382 1061169809 /nfs/dbraw/zinc/16/98/09/1061169809.db2.gz GDLIDCFHXKCLRW-OALUTQOASA-N 1 0 312.457 4.003 20 30 DIEDRO C=CCCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001462431408 1061170279 /nfs/dbraw/zinc/17/02/79/1061170279.db2.gz UEEQUQUKRWFLEU-UHFFFAOYSA-N 1 0 302.418 4.254 20 30 DIEDRO N#CC1(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)CCCCC1 ZINC001462439414 1061173484 /nfs/dbraw/zinc/17/34/84/1061173484.db2.gz JLKMUCPCFMTYEA-UHFFFAOYSA-N 1 0 312.457 4.482 20 30 DIEDRO C#CCC[NH2+]C1(c2ccccc2Br)CCCCC1 ZINC001473472726 1061180446 /nfs/dbraw/zinc/18/04/46/1061180446.db2.gz SWIZNXFFOUQZDW-UHFFFAOYSA-N 1 0 306.247 4.221 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC001473490997 1061188635 /nfs/dbraw/zinc/18/86/35/1061188635.db2.gz QDUCDVGQZQHOMO-UHFFFAOYSA-N 1 0 307.457 4.093 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC001462463446 1061188501 /nfs/dbraw/zinc/18/85/01/1061188501.db2.gz VGMQAMURJSXUQH-ZDUSSCGKSA-N 1 0 322.474 4.493 20 30 DIEDRO Cc1cc2c(CC[NH2+][C@H](C)CC(C)(C)C#N)c[nH]c2cc1F ZINC001462475681 1061195246 /nfs/dbraw/zinc/19/52/46/1061195246.db2.gz AMVBWHPUBXYTNX-CYBMUJFWSA-N 1 0 301.409 4.076 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+][C@@H](Cc1cccc(Cl)c1)CC(C)C ZINC001462475151 1061195310 /nfs/dbraw/zinc/19/53/10/1061195310.db2.gz GKFUEGZBNBLYCN-RTBURBONSA-N 1 0 321.892 4.315 20 30 DIEDRO CCc1ccc(C2CC[NH+](CC#Cc3ccccc3)CC2)cc1 ZINC001462479729 1061201281 /nfs/dbraw/zinc/20/12/81/1061201281.db2.gz NMCMONFYCLXQFV-UHFFFAOYSA-N 1 0 303.449 4.480 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001473509915 1061206080 /nfs/dbraw/zinc/20/60/80/1061206080.db2.gz QXAUUJVRGFBBSL-QZTJIDSGSA-N 1 0 321.892 4.454 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)ccc1C#N ZINC001462512546 1061222482 /nfs/dbraw/zinc/22/24/82/1061222482.db2.gz AFYCDXZJZWIBRX-FQEVSTJZSA-N 1 0 308.400 4.328 20 30 DIEDRO CCCCCCCCC(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001455686522 1061232366 /nfs/dbraw/zinc/23/23/66/1061232366.db2.gz FLDRMTWEHVAENH-QGZVFWFLSA-N 1 0 308.510 4.212 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC001473543468 1061236120 /nfs/dbraw/zinc/23/61/20/1061236120.db2.gz MIMYUUDKLNIAQQ-UHFFFAOYSA-N 1 0 306.400 4.159 20 30 DIEDRO CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC001462543374 1061251305 /nfs/dbraw/zinc/25/13/05/1061251305.db2.gz CRHRSCFZBPYMCZ-BBRMVZONSA-N 1 0 306.837 4.299 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC001462552751 1061256066 /nfs/dbraw/zinc/25/60/66/1061256066.db2.gz HZYUYMSAEDYGAM-ZDUSSCGKSA-N 1 0 305.388 4.241 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC001462564839 1061264208 /nfs/dbraw/zinc/26/42/08/1061264208.db2.gz LNJJDJQVSZSELJ-UHFFFAOYSA-N 1 0 312.363 4.048 20 30 DIEDRO C=C1CCC(C[NH2+][C@H]2CC[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC001462568800 1061267736 /nfs/dbraw/zinc/26/77/36/1061267736.db2.gz XBNZYSZYJCHVQY-NQIIRXRSSA-N 1 0 312.501 4.376 20 30 DIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC001473595753 1061275388 /nfs/dbraw/zinc/27/53/88/1061275388.db2.gz MPFHCTMPFCFROK-IBGZPJMESA-N 1 0 312.457 4.372 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC001473586869 1061275941 /nfs/dbraw/zinc/27/59/41/1061275941.db2.gz BVRCZKPJXLCHPS-YFCVBGDOSA-N 1 0 318.258 4.198 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001462615416 1061298822 /nfs/dbraw/zinc/29/88/22/1061298822.db2.gz FEWQYZHNYRFRMW-HOTGVXAUSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC001473627957 1061299401 /nfs/dbraw/zinc/29/94/01/1061299401.db2.gz VYORFEAGCNFYGP-KFWWJZLASA-N 1 0 317.395 4.212 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001462615422 1061300120 /nfs/dbraw/zinc/30/01/20/1061300120.db2.gz FEWQYZHNYRFRMW-HZPDHXFCSA-N 1 0 324.509 4.356 20 30 DIEDRO C#CC[N@@H+](C)Cc1ccc(-c2ccccc2Br)cc1 ZINC001462623576 1061306014 /nfs/dbraw/zinc/30/60/14/1061306014.db2.gz PIGKZTQJLOKUJQ-UHFFFAOYSA-N 1 0 314.226 4.181 20 30 DIEDRO Cc1ccc([C@@H](C)C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC001462632501 1061306704 /nfs/dbraw/zinc/30/67/04/1061306704.db2.gz WMCRYIOPUWGFCD-UWJYYQICSA-N 1 0 320.436 4.044 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473638301 1061309814 /nfs/dbraw/zinc/30/98/14/1061309814.db2.gz SMTAXRDWDVIXJC-QAPCUYQASA-N 1 0 318.417 4.088 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473638297 1061311869 /nfs/dbraw/zinc/31/18/69/1061311869.db2.gz SMTAXRDWDVIXJC-CRAIPNDOSA-N 1 0 318.417 4.088 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001473652306 1061318087 /nfs/dbraw/zinc/31/80/87/1061318087.db2.gz FUKDLWBOKZWOGM-IAGOWNOFSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCOCC[N@@H+](CC)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001473663348 1061325457 /nfs/dbraw/zinc/32/54/57/1061325457.db2.gz JGALCQMMHIJIRB-AWEZNQCLSA-N 1 0 315.379 4.161 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c1 ZINC001473670964 1061332739 /nfs/dbraw/zinc/33/27/39/1061332739.db2.gz QJTJMPYWKRRGSK-LJQANCHMSA-N 1 0 312.457 4.229 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cc1C ZINC001473684054 1061343206 /nfs/dbraw/zinc/34/32/06/1061343206.db2.gz YJBFOALXHAFTAX-UHFFFAOYSA-N 1 0 319.452 4.252 20 30 DIEDRO Cc1ccc(CN2CCc3c(CC#N)cccc3C2)c(Cl)c1 ZINC001473691199 1061351210 /nfs/dbraw/zinc/35/12/10/1061351210.db2.gz SSTWLKMMINNUDU-UHFFFAOYSA-N 1 0 310.828 4.273 20 30 DIEDRO N#CCc1cccc2c1CCN(Cc1ccc(Cl)cc1F)C2 ZINC001473690615 1061351558 /nfs/dbraw/zinc/35/15/58/1061351558.db2.gz IMHNPKOYIAXSJH-UHFFFAOYSA-N 1 0 314.791 4.103 20 30 DIEDRO C[C@@H](C[N@H+](C)Cc1ccc(OCC#N)cc1)C1CCCCC1 ZINC001473705529 1061357966 /nfs/dbraw/zinc/35/79/66/1061357966.db2.gz CJJIINQRDZUZTH-INIZCTEOSA-N 1 0 300.446 4.237 20 30 DIEDRO C[C@H](CCC#N)[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001473712741 1061363555 /nfs/dbraw/zinc/36/35/55/1061363555.db2.gz MPEFBHRHWDTZNH-QGZVFWFLSA-N 1 0 308.425 4.390 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001473741931 1061383842 /nfs/dbraw/zinc/38/38/42/1061383842.db2.gz MSIOXZZZZJOZBG-FHWLQOOXSA-N 1 0 301.474 4.266 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@]2(C)C2CCCCC2)cc1 ZINC001473746323 1061388559 /nfs/dbraw/zinc/38/85/59/1061388559.db2.gz UFVRSSUZWAQOOX-OAQYLSRUSA-N 1 0 324.468 4.041 20 30 DIEDRO CC[C@@]1(CCc2ccccc2)CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001473757191 1061395438 /nfs/dbraw/zinc/39/54/38/1061395438.db2.gz XZIAAFBCGACTOH-NRFANRHFSA-N 1 0 319.452 4.331 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC001473788860 1061408477 /nfs/dbraw/zinc/40/84/77/1061408477.db2.gz WGJKTZLZPHQUIK-LBPRGKRZSA-N 1 0 318.214 4.041 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1cccc2ccccc21 ZINC001473804105 1061413498 /nfs/dbraw/zinc/41/34/98/1061413498.db2.gz ADPMXOULURSWKL-XLIONFOSSA-N 1 0 322.452 4.325 20 30 DIEDRO C=CCCCCCCCCNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001251609454 1061415978 /nfs/dbraw/zinc/41/59/78/1061415978.db2.gz UGHPPTXSMHOSEA-MSOLQXFVSA-N 1 0 323.525 4.027 20 30 DIEDRO C=CCCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001251609527 1061417447 /nfs/dbraw/zinc/41/74/47/1061417447.db2.gz WFAQECXPDBSOKP-QGZVFWFLSA-N 1 0 323.525 4.075 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001473818839 1061422327 /nfs/dbraw/zinc/42/23/27/1061422327.db2.gz XJOFPEOHFJAUAC-OXQOHEQNSA-N 1 0 320.436 4.335 20 30 DIEDRO CC1(C)CCCC[C@@H]1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001473838647 1061428391 /nfs/dbraw/zinc/42/83/91/1061428391.db2.gz JMLWVWLWKWSJCI-MOPGFXCFSA-N 1 0 312.457 4.148 20 30 DIEDRO CC1(C)CCCC[C@H]1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001473838651 1061428554 /nfs/dbraw/zinc/42/85/54/1061428554.db2.gz JMLWVWLWKWSJCI-RBUKOAKNSA-N 1 0 312.457 4.148 20 30 DIEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001473838131 1061428757 /nfs/dbraw/zinc/42/87/57/1061428757.db2.gz CYXOJRFYYTYUEO-JXFKEZNVSA-N 1 0 306.409 4.001 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](C[C@@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC001473838956 1061429128 /nfs/dbraw/zinc/42/91/28/1061429128.db2.gz OFAFMHSOVKSYBH-FQEVSTJZSA-N 1 0 324.468 4.229 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC001473852476 1061434061 /nfs/dbraw/zinc/43/40/61/1061434061.db2.gz RYMSGWDUVOUZFX-UHFFFAOYSA-N 1 0 317.399 4.468 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001473855562 1061434632 /nfs/dbraw/zinc/43/46/32/1061434632.db2.gz WAJFTJODWKXUPC-OAHLLOKOSA-N 1 0 317.820 4.321 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC001473853868 1061434856 /nfs/dbraw/zinc/43/48/56/1061434856.db2.gz CGLAHJFJOZKNOT-IBGZPJMESA-N 1 0 314.473 4.003 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001473857138 1061436123 /nfs/dbraw/zinc/43/61/23/1061436123.db2.gz FGOIXOZNOQSTGC-MRXNPFEDSA-N 1 0 304.821 4.173 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cnc(Br)c(C)c1 ZINC001473857606 1061436583 /nfs/dbraw/zinc/43/65/83/1061436583.db2.gz XWNGXGVNYGSHDN-CQSZACIVSA-N 1 0 309.251 4.083 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001473857597 1061436858 /nfs/dbraw/zinc/43/68/58/1061436858.db2.gz XVWHVFJLNLDPLO-HNNXBMFYSA-N 1 0 307.821 4.179 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(C3CCCCC3)CC2)c(OC(F)F)c1 ZINC001473870558 1061442490 /nfs/dbraw/zinc/44/24/90/1061442490.db2.gz OCOVLEQZBMFUAW-UHFFFAOYSA-N 1 0 320.383 4.362 20 30 DIEDRO CCC[C@](C)([NH2+]CCOc1cccc(C#N)c1)c1ccccc1 ZINC001473878735 1061447041 /nfs/dbraw/zinc/44/70/41/1061447041.db2.gz XYRBATRXFRLAFO-FQEVSTJZSA-N 1 0 308.425 4.242 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(OC(C)C)c2)c1 ZINC001473938728 1061483911 /nfs/dbraw/zinc/48/39/11/1061483911.db2.gz CVHKMWNSCPMLQB-UHFFFAOYSA-N 1 0 311.425 4.328 20 30 DIEDRO C=C1CC(C)(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC001464020880 1061545055 /nfs/dbraw/zinc/54/50/55/1061545055.db2.gz XSOPNCFBTUSZQT-OAHLLOKOSA-N 1 0 312.457 4.213 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)C1 ZINC001474007302 1061549244 /nfs/dbraw/zinc/54/92/44/1061549244.db2.gz XOAMEUMLTQHOPN-ATZDWAIDSA-N 1 0 301.474 4.352 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccncc1 ZINC001474007736 1061550256 /nfs/dbraw/zinc/55/02/56/1061550256.db2.gz NNKYCOOLFNWBBF-KRWDZBQOSA-N 1 0 318.367 4.133 20 30 DIEDRO Cc1nc(Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1C#N ZINC001458106122 1061573972 /nfs/dbraw/zinc/57/39/72/1061573972.db2.gz FIQSGJRDYXZADZ-OAHLLOKOSA-N 1 0 320.440 4.380 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH+]1CCC(OC2CCC2)CC1 ZINC001252123979 1061582267 /nfs/dbraw/zinc/58/22/67/1061582267.db2.gz NKQGFNOWLWPUEN-KRWDZBQOSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001252128546 1061584164 /nfs/dbraw/zinc/58/41/64/1061584164.db2.gz OOUVQTACULPFSA-LJQANCHMSA-N 1 0 302.462 4.102 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC001252130143 1061584890 /nfs/dbraw/zinc/58/48/90/1061584890.db2.gz LVEXHXAOYCGTPT-MRXNPFEDSA-N 1 0 318.461 4.371 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC001252131432 1061588921 /nfs/dbraw/zinc/58/89/21/1061588921.db2.gz NPDCYLHECWXMDJ-HOTGVXAUSA-N 1 0 317.477 4.325 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCc2nc[nH]c2[C@@H]1C(C)C ZINC001252132175 1061591600 /nfs/dbraw/zinc/59/16/00/1061591600.db2.gz BCHJZVFNQGVASA-LPHOPBHVSA-N 1 0 321.509 4.076 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001464419584 1061591773 /nfs/dbraw/zinc/59/17/73/1061591773.db2.gz QNJDAFXOJWZUOD-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](c1cccnc1)C(C)C ZINC001252132810 1061592928 /nfs/dbraw/zinc/59/29/28/1061592928.db2.gz CLHISAOBPBNLAZ-MOPGFXCFSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001252135623 1061593952 /nfs/dbraw/zinc/59/39/52/1061593952.db2.gz GNYDZBSLMMSIAL-GOSISDBHSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCCc2cccnc21 ZINC001252134687 1061593978 /nfs/dbraw/zinc/59/39/78/1061593978.db2.gz SMUNGAZBWFKEMI-ROUUACIJSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc2ccccc2n1 ZINC001252135629 1061594638 /nfs/dbraw/zinc/59/46/38/1061594638.db2.gz GOGVHBUDHWPALN-IBGZPJMESA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)c1cccc(C)n1 ZINC001252138965 1061597241 /nfs/dbraw/zinc/59/72/41/1061597241.db2.gz HSEOCJUKCAVBEP-SFHVURJKSA-N 1 0 320.521 4.369 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1ccc(F)cn1)C1CC1 ZINC001252139724 1061597668 /nfs/dbraw/zinc/59/76/68/1061597668.db2.gz QZNRQOSAIKFXFX-PKOBYXMFSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1(c2ccc(C)cn2)CC1 ZINC001252140105 1061597869 /nfs/dbraw/zinc/59/78/69/1061597869.db2.gz YVMNDGXKJRYGEO-GOSISDBHSA-N 1 0 318.505 4.123 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1ncccc1F)C1CC1 ZINC001252139424 1061598416 /nfs/dbraw/zinc/59/84/16/1061598416.db2.gz NXOFEKQUPWWKQE-SJLPKXTDSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1cccnc1F)C1CC1 ZINC001252139567 1061598565 /nfs/dbraw/zinc/59/85/65/1061598565.db2.gz PMEYUTDNYAUZSP-FUHWJXTLSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccnc(F)c1)C1CC1 ZINC001252140114 1061598650 /nfs/dbraw/zinc/59/86/50/1061598650.db2.gz ZCWKUVIHRMLFRQ-IEBWSBKVSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(COC)c1 ZINC001252140963 1061599597 /nfs/dbraw/zinc/59/95/97/1061599597.db2.gz WBTYCIRNISLITB-LJQANCHMSA-N 1 0 307.478 4.034 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1noc2ccccc12 ZINC001252140217 1061599619 /nfs/dbraw/zinc/59/96/19/1061599619.db2.gz NGLZGAXKWNJNPE-HNNXBMFYSA-N 1 0 304.434 4.029 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cnc(C(C)C)s1 ZINC001252140274 1061599813 /nfs/dbraw/zinc/59/98/13/1061599813.db2.gz OOITUGLVXMNDQG-OAHLLOKOSA-N 1 0 312.523 4.468 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001252140221 1061600672 /nfs/dbraw/zinc/60/06/72/1061600672.db2.gz NKKFHAANTHGGFR-HNNXBMFYSA-N 1 0 303.437 4.265 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCc2cc(C)ncc21 ZINC001252140152 1061600993 /nfs/dbraw/zinc/60/09/93/1061600993.db2.gz ZZHKMVCXADBSEK-PKOBYXMFSA-N 1 0 304.478 4.078 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)C1 ZINC001474064072 1061611007 /nfs/dbraw/zinc/61/10/07/1061611007.db2.gz QAGKVFDOMXRXEY-WCQYABFASA-N 1 0 315.244 4.102 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(C)cc2O[C@H](C)CC)cc1 ZINC001474070085 1061615710 /nfs/dbraw/zinc/61/57/10/1061615710.db2.gz YPNODXAOWRJTSE-QGZVFWFLSA-N 1 0 307.437 4.443 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(C)cc2O[C@@H](C)CC)cc1 ZINC001474070084 1061616255 /nfs/dbraw/zinc/61/62/55/1061616255.db2.gz YPNODXAOWRJTSE-KRWDZBQOSA-N 1 0 307.437 4.443 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC001474098968 1061646008 /nfs/dbraw/zinc/64/60/08/1061646008.db2.gz XPRHIKSIHYTYPV-QFIPXVFZSA-N 1 0 319.448 4.082 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)c1cc(Cl)cc(Cl)c1 ZINC001252617809 1061679408 /nfs/dbraw/zinc/67/94/08/1061679408.db2.gz LAYCRJSOLPYSFQ-CQSZACIVSA-N 1 0 302.245 4.145 20 30 DIEDRO C=C[C@](C)(O)C[N@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001252558970 1061664724 /nfs/dbraw/zinc/66/47/24/1061664724.db2.gz PYBSMQSQLKZOFT-NRFANRHFSA-N 1 0 309.453 4.077 20 30 DIEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccccc1Oc1ccc(Cl)cc1 ZINC001252580242 1061669511 /nfs/dbraw/zinc/66/95/11/1061669511.db2.gz BLGQRKZBQSZRSR-GOSISDBHSA-N 1 0 317.816 4.159 20 30 DIEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001252574226 1061670020 /nfs/dbraw/zinc/67/00/20/1061670020.db2.gz NBJPJSOTELZPJP-GOSISDBHSA-N 1 0 317.816 4.159 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001252602888 1061671965 /nfs/dbraw/zinc/67/19/65/1061671965.db2.gz HEPLJZLAAGYOAD-KGLIPLIRSA-N 1 0 314.256 4.110 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](CC)Cc1ccc(Cl)cc1Cl ZINC001252602903 1061673245 /nfs/dbraw/zinc/67/32/45/1061673245.db2.gz XYBSFMDPAPGGME-AWEZNQCLSA-N 1 0 302.245 4.142 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001252603113 1061673307 /nfs/dbraw/zinc/67/33/07/1061673307.db2.gz LPNJQWGYITUFQP-SFHVURJKSA-N 1 0 311.425 4.238 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)c1ccc(Cl)cc1Cl ZINC001252617829 1061678775 /nfs/dbraw/zinc/67/87/75/1061678775.db2.gz LJFFXKYMQSBUGG-LBPRGKRZSA-N 1 0 302.245 4.145 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](CCCC)Cc1c[nH]c2ccccc12 ZINC001252620700 1061679467 /nfs/dbraw/zinc/67/94/67/1061679467.db2.gz YOQTVDFLRCETQI-MSOLQXFVSA-N 1 0 314.473 4.186 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(Oc2ccc(C)cc2)cc1 ZINC001252622333 1061679525 /nfs/dbraw/zinc/67/95/25/1061679525.db2.gz SFVZGQYDILHXLZ-GOSISDBHSA-N 1 0 311.425 4.204 20 30 DIEDRO CC1(C)CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001474143349 1061686882 /nfs/dbraw/zinc/68/68/82/1061686882.db2.gz YGDWGGZSXBMPML-HXUWFJFHSA-N 1 0 320.436 4.415 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CCCC1 ZINC001474145223 1061690248 /nfs/dbraw/zinc/69/02/48/1061690248.db2.gz KCYPVXKPEXTOTO-UHFFFAOYSA-N 1 0 309.356 4.234 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001474145654 1061691101 /nfs/dbraw/zinc/69/11/01/1061691101.db2.gz SWIYEROGULCXRS-NRFANRHFSA-N 1 0 309.453 4.387 20 30 DIEDRO Cc1cc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)ccc1C#N ZINC001474148048 1061693564 /nfs/dbraw/zinc/69/35/64/1061693564.db2.gz SGSYDHDVBWLWCF-UHFFFAOYSA-N 1 0 310.828 4.385 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OCCCC)cc2)cc1 ZINC001474151257 1061694855 /nfs/dbraw/zinc/69/48/55/1061694855.db2.gz LTSPWCDSZVVVIA-UHFFFAOYSA-N 1 0 323.436 4.167 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001474150627 1061695752 /nfs/dbraw/zinc/69/57/52/1061695752.db2.gz SBEJTNBFMBARIX-MOPGFXCFSA-N 1 0 313.828 4.440 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC001474153502 1061696193 /nfs/dbraw/zinc/69/61/93/1061696193.db2.gz MGIBLJXFNJPOFI-CVEARBPZSA-N 1 0 319.351 4.048 20 30 DIEDRO CC[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001474164235 1061708803 /nfs/dbraw/zinc/70/88/03/1061708803.db2.gz JYUDOKDCKAAQQU-OALUTQOASA-N 1 0 313.489 4.342 20 30 DIEDRO CCC[C@H](O)C[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001252789602 1061717614 /nfs/dbraw/zinc/71/76/14/1061717614.db2.gz MWRSOEWAQNNRDA-UTKZUKDTSA-N 1 0 322.452 4.282 20 30 DIEDRO Cc1ccccc1[C@H]([C@@H](C)Nc1cccc(F)c1C#N)[NH+](C)C ZINC001458369107 1061725482 /nfs/dbraw/zinc/72/54/82/1061725482.db2.gz FGWJUJSBGYICBG-KUHUBIRLSA-N 1 0 311.404 4.109 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)cc1 ZINC001474193525 1061741100 /nfs/dbraw/zinc/74/11/00/1061741100.db2.gz OCJMXTPEHALIQP-OAHLLOKOSA-N 1 0 321.411 4.392 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC001474204847 1061759554 /nfs/dbraw/zinc/75/95/54/1061759554.db2.gz QGIVNTXRGVQDDS-HOTGVXAUSA-N 1 0 317.473 4.422 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC001474208081 1061762306 /nfs/dbraw/zinc/76/23/06/1061762306.db2.gz RIQIPAQAEJYORR-RBSFLKMASA-N 1 0 304.503 4.492 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(C)n1 ZINC001252979397 1061769548 /nfs/dbraw/zinc/76/95/48/1061769548.db2.gz BYPGMWKRCHLKGH-LJQANCHMSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@H+](C)Cc1cncs1 ZINC001252983272 1061771101 /nfs/dbraw/zinc/77/11/01/1061771101.db2.gz TXQAXQRTWAUAEE-MRXNPFEDSA-N 1 0 312.523 4.467 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ncccc1F ZINC001252983508 1061771203 /nfs/dbraw/zinc/77/12/03/1061771203.db2.gz WUQJICALYFREEI-MRXNPFEDSA-N 1 0 310.457 4.202 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccnc(C)c1 ZINC001252982893 1061772347 /nfs/dbraw/zinc/77/23/47/1061772347.db2.gz NDUGHIJSFGIRQG-IBGZPJMESA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H](C)Cc1cc(C)no1 ZINC001252981032 1061773354 /nfs/dbraw/zinc/77/33/54/1061773354.db2.gz XWYZGYQQFURDSP-WMZOPIPTSA-N 1 0 324.509 4.395 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@](C)(O)CC1 ZINC001252983791 1061773683 /nfs/dbraw/zinc/77/36/83/1061773683.db2.gz ZVKMOECBCWFRCV-FHWLQOOXSA-N 1 0 313.526 4.161 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CCc1cncs1 ZINC001252985940 1061774673 /nfs/dbraw/zinc/77/46/73/1061774673.db2.gz JHONFFYVXVSGMK-MRXNPFEDSA-N 1 0 312.523 4.167 20 30 DIEDRO CCCCCCCCCC[C@H](O)CN1CC([NH+]2CCCCC2)C1 ZINC001252984062 1061777237 /nfs/dbraw/zinc/77/72/37/1061777237.db2.gz CQSSFSPLOKHKAU-FQEVSTJZSA-N 1 0 324.553 4.048 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(OC)c(OCC(=C)C)c1 ZINC001474220074 1061777633 /nfs/dbraw/zinc/77/76/33/1061777633.db2.gz VVNWWDXIWRLFCV-UHFFFAOYSA-N 1 0 303.446 4.485 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH+]1CCC(O)(CC)CC1 ZINC001252985767 1061777868 /nfs/dbraw/zinc/77/78/68/1061777868.db2.gz OYDUCZVQWTZWCD-SFHVURJKSA-N 1 0 313.526 4.115 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001474226647 1061790469 /nfs/dbraw/zinc/79/04/69/1061790469.db2.gz WQAUXUSBYDPIBB-PXNSSMCTSA-N 1 0 315.501 4.181 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@H]2CCSC2)cc1Cl ZINC001474237119 1061797841 /nfs/dbraw/zinc/79/78/41/1061797841.db2.gz ZHSBXEKWSSQHHN-ZDUSSCGKSA-N 1 0 311.878 4.138 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(C)c(Br)c2C)CCCC1 ZINC001474246661 1061811942 /nfs/dbraw/zinc/81/19/42/1061811942.db2.gz BDTRGMAAFCDHDN-UHFFFAOYSA-N 1 0 306.247 4.102 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(Br)cc2SC)CCCC1 ZINC001474246894 1061812108 /nfs/dbraw/zinc/81/21/08/1061812108.db2.gz JYGMRNHKCCGIPY-UHFFFAOYSA-N 1 0 324.287 4.207 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC001474247594 1061815622 /nfs/dbraw/zinc/81/56/22/1061815622.db2.gz BSBXPSWTFKCJNC-KRWDZBQOSA-N 1 0 321.424 4.456 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC001474255711 1061821463 /nfs/dbraw/zinc/82/14/63/1061821463.db2.gz VSJBDWOTNWPQTD-JCNLHEQBSA-N 1 0 310.466 4.400 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001474255906 1061823739 /nfs/dbraw/zinc/82/37/39/1061823739.db2.gz BXLPMLVASFIWBN-HOTGVXAUSA-N 1 0 324.509 4.262 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cc(C)c(C)cc2C)cc1C#N ZINC001474265828 1061832216 /nfs/dbraw/zinc/83/22/16/1061832216.db2.gz HXFLHLQKTCXHDK-UHFFFAOYSA-N 1 0 310.466 4.495 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001253227487 1061834634 /nfs/dbraw/zinc/83/46/34/1061834634.db2.gz JOOOSVAXQCFJMA-MOPGFXCFSA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+](C)Cc1ccccc1OC ZINC001253238276 1061838425 /nfs/dbraw/zinc/83/84/25/1061838425.db2.gz BTKLVXDDEKQKTR-GOSISDBHSA-N 1 0 305.462 4.015 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001253238336 1061839304 /nfs/dbraw/zinc/83/93/04/1061839304.db2.gz CZRHGFAWRCYZNV-GJZGRUSLSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCC[C@@H](O)CNc1cccc(C[NH+](C)C)c1 ZINC001253241957 1061841586 /nfs/dbraw/zinc/84/15/86/1061841586.db2.gz FFGPZVVYANEXAQ-LJQANCHMSA-N 1 0 304.478 4.048 20 30 DIEDRO CC(C)c1ncc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)s1 ZINC001474275481 1061841634 /nfs/dbraw/zinc/84/16/34/1061841634.db2.gz RMUYGWKSVKTMOA-UHFFFAOYSA-N 1 0 313.470 4.249 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+](CCC)CCc1ccccn1 ZINC001253240995 1061842166 /nfs/dbraw/zinc/84/21/66/1061842166.db2.gz QKDVWNRFVSHTTO-FQEVSTJZSA-N 1 0 318.505 4.224 20 30 DIEDRO C#CCC1([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CCC1 ZINC001474277120 1061843867 /nfs/dbraw/zinc/84/38/67/1061843867.db2.gz YCJHGNKWAWBBPD-UHFFFAOYSA-N 1 0 323.411 4.440 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC001253248244 1061850524 /nfs/dbraw/zinc/85/05/24/1061850524.db2.gz SPUKTMQUZZEZQW-QGZVFWFLSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001253247378 1061850790 /nfs/dbraw/zinc/85/07/90/1061850790.db2.gz IQGABHKDNGOVHT-WMZOPIPTSA-N 1 0 305.462 4.233 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CCCc1ccc(OC)cc1 ZINC001253248311 1061851569 /nfs/dbraw/zinc/85/15/69/1061851569.db2.gz UIUWFQWELRAZTK-IBGZPJMESA-N 1 0 319.489 4.105 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2ncccc2c1 ZINC001253248250 1061851620 /nfs/dbraw/zinc/85/16/20/1061851620.db2.gz SQHSGEJVPNPCHE-LJQANCHMSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cccc2ccncc21 ZINC001253251243 1061853265 /nfs/dbraw/zinc/85/32/65/1061853265.db2.gz IHKGGLMLNXVJSW-IBGZPJMESA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC001253251839 1061853377 /nfs/dbraw/zinc/85/33/77/1061853377.db2.gz OXMHQAXVHQVNHM-HKUYNNGSSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cc2ccccc2cn1 ZINC001253250338 1061853722 /nfs/dbraw/zinc/85/37/22/1061853722.db2.gz XHZAYZPGCSYWAJ-FQEVSTJZSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001253251840 1061854023 /nfs/dbraw/zinc/85/40/23/1061854023.db2.gz OXMHQAXVHQVNHM-IEBWSBKVSA-N 1 0 302.462 4.010 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)(C)Cc1ccncc1 ZINC001253253139 1061854262 /nfs/dbraw/zinc/85/42/62/1061854262.db2.gz BYVDEHKXWLBPSX-LJQANCHMSA-N 1 0 318.505 4.127 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(c2ccccc2F)CC1 ZINC001253252724 1061854291 /nfs/dbraw/zinc/85/42/91/1061854291.db2.gz ZXGTYPRBJVGYBL-MRXNPFEDSA-N 1 0 305.437 4.292 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccncc1C)C1CC1 ZINC001253253829 1061856005 /nfs/dbraw/zinc/85/60/05/1061856005.db2.gz KXDPVJDJMZPCDY-UYAOXDASSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](c1ncccc1F)C1CC1 ZINC001253254352 1061856796 /nfs/dbraw/zinc/85/67/96/1061856796.db2.gz PZRMXFSXHJZEDT-AEFFLSMTSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCOc2cc(F)ccc21 ZINC001253255272 1061857144 /nfs/dbraw/zinc/85/71/44/1061857144.db2.gz HUQRSGZWQOISLG-FUHWJXTLSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1ccc(F)cn1)C1CC1 ZINC001253255195 1061857339 /nfs/dbraw/zinc/85/73/39/1061857339.db2.gz XQUGCZXLTRYQEY-PKOBYXMFSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCOc2ccc(C)cc21 ZINC001253255235 1061857430 /nfs/dbraw/zinc/85/74/30/1061857430.db2.gz HEHKPOHMHGNPEW-MJGOQNOKSA-N 1 0 317.473 4.296 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCOc2cc(F)ccc21 ZINC001253255275 1061857595 /nfs/dbraw/zinc/85/75/95/1061857595.db2.gz HUQRSGZWQOISLG-WMZOPIPTSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(c2cccc(OC)c2)CC1 ZINC001253255723 1061859774 /nfs/dbraw/zinc/85/97/74/1061859774.db2.gz LINLJCZNRGEEJW-SFHVURJKSA-N 1 0 317.473 4.161 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC001253255714 1061860621 /nfs/dbraw/zinc/86/06/21/1061860621.db2.gz LCJZBZBECQWQSD-PXNSSMCTSA-N 1 0 317.473 4.160 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1ccncc1)C(C)C ZINC001253257237 1061861112 /nfs/dbraw/zinc/86/11/12/1061861112.db2.gz PONJOAVPPGRLGV-RBUKOAKNSA-N 1 0 304.478 4.256 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cncc2ccccc21 ZINC001253257303 1061861406 /nfs/dbraw/zinc/86/14/06/1061861406.db2.gz RFKDBTLTJGNEEB-LJQANCHMSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc(C(F)(F)F)o1 ZINC001253257074 1061861688 /nfs/dbraw/zinc/86/16/88/1061861688.db2.gz LTVJECQPUXWWSG-ZDUSSCGKSA-N 1 0 319.367 4.276 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)cc1 ZINC001474292658 1061862136 /nfs/dbraw/zinc/86/21/36/1061862136.db2.gz OCJLCCUEHBRYGB-AWEZNQCLSA-N 1 0 306.400 4.403 20 30 DIEDRO C=CC(C)(C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001474292635 1061862420 /nfs/dbraw/zinc/86/24/20/1061862420.db2.gz NCLFPZURECNHTH-UHFFFAOYSA-N 1 0 306.453 4.304 20 30 DIEDRO C#CC(C)(C)[NH2+]C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253498028 1061906389 /nfs/dbraw/zinc/90/63/89/1061906389.db2.gz VPQFDOVYVBUESX-IBGZPJMESA-N 1 0 321.892 4.051 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)ccc1C#N ZINC001474327105 1061912463 /nfs/dbraw/zinc/91/24/63/1061912463.db2.gz PFIZZHIZTZCTHZ-KSSFIOAISA-N 1 0 324.424 4.442 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)ccc1C#N ZINC001474327103 1061914867 /nfs/dbraw/zinc/91/48/67/1061914867.db2.gz PFIZZHIZTZCTHZ-KDOFPFPSSA-N 1 0 324.424 4.442 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1cnccn1 ZINC001253565525 1061930310 /nfs/dbraw/zinc/93/03/10/1061930310.db2.gz OSFKRYBPXSVVPS-IBGZPJMESA-N 1 0 321.509 4.238 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1cnco1 ZINC001253565831 1061930468 /nfs/dbraw/zinc/93/04/68/1061930468.db2.gz TWUNEKOXAHRLKT-QGZVFWFLSA-N 1 0 310.482 4.436 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@@H](CO)C1 ZINC001253565256 1061930603 /nfs/dbraw/zinc/93/06/03/1061930603.db2.gz KSLLYJUDJUQDOJ-OTWHNJEPSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccnnc1 ZINC001253565581 1061931920 /nfs/dbraw/zinc/93/19/20/1061931920.db2.gz QAXLNOXLDDNQFM-LJQANCHMSA-N 1 0 321.509 4.238 20 30 DIEDRO C=C[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC001253608229 1061937097 /nfs/dbraw/zinc/93/70/97/1061937097.db2.gz KCFDEOQSAWWPMP-GHTZIAJQSA-N 1 0 303.405 4.066 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001474350430 1061964948 /nfs/dbraw/zinc/96/49/48/1061964948.db2.gz LMRJDVCAWRWZOG-FQEVSTJZSA-N 1 0 321.468 4.077 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001474356995 1061976000 /nfs/dbraw/zinc/97/60/00/1061976000.db2.gz CMIUCWHBWGSHFB-MISYRCLQSA-N 1 0 312.457 4.148 20 30 DIEDRO CC(C)[C@H](O)C[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001253766150 1061977047 /nfs/dbraw/zinc/97/70/47/1061977047.db2.gz BVJXRJDFUAKFQR-DYESRHJHSA-N 1 0 322.452 4.138 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001253975752 1062007649 /nfs/dbraw/zinc/00/76/49/1062007649.db2.gz DTDKBCHVARUKCM-HNNXBMFYSA-N 1 0 310.445 4.072 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)cc1OC ZINC001474369763 1062010136 /nfs/dbraw/zinc/01/01/36/1062010136.db2.gz LSMBPNAMWPFREU-ZIAGYGMSSA-N 1 0 323.864 4.391 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001474383717 1062029858 /nfs/dbraw/zinc/02/98/58/1062029858.db2.gz FEGJGHNIZGPXEB-KRWDZBQOSA-N 1 0 307.437 4.241 20 30 DIEDRO CC[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccc(F)cc1 ZINC001474385656 1062036127 /nfs/dbraw/zinc/03/61/27/1062036127.db2.gz AIFVZBRVPKATKB-GPJFCIFZSA-N 1 0 308.400 4.490 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)nc1)CC1CCCCC1 ZINC001474387125 1062036918 /nfs/dbraw/zinc/03/69/18/1062036918.db2.gz WDIXVBQCJWRGQB-UHFFFAOYSA-N 1 0 323.278 4.412 20 30 DIEDRO CC(C)[N@@H+](Cc1cnn(Cc2ccccc2)c1)C[C@@H](C)CCC#N ZINC001474393196 1062044023 /nfs/dbraw/zinc/04/40/23/1062044023.db2.gz LCCAOIHIQITOAZ-SFHVURJKSA-N 1 0 324.472 4.082 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+]CC(C)(C)CCC#N)cc1 ZINC001254197241 1062045100 /nfs/dbraw/zinc/04/51/00/1062045100.db2.gz UTDTVIYZPYQXOG-UHFFFAOYSA-N 1 0 302.462 4.326 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001474392191 1062046420 /nfs/dbraw/zinc/04/64/20/1062046420.db2.gz UIMGNKLLVUBRQO-HNNXBMFYSA-N 1 0 322.855 4.231 20 30 DIEDRO CCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCC[N@@H+]1C(C)C ZINC001459308429 1062074539 /nfs/dbraw/zinc/07/45/39/1062074539.db2.gz HYDRHUZKXHHGIK-HXUWFJFHSA-N 1 0 313.489 4.033 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)cn1 ZINC001254345656 1062080645 /nfs/dbraw/zinc/08/06/45/1062080645.db2.gz DSRRRBICJROXSV-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CC[C@@H](F)C2)CC1 ZINC001254343049 1062081402 /nfs/dbraw/zinc/08/14/02/1062081402.db2.gz XWDYFXJEFGKSOO-RZZCCWGQSA-N 1 0 304.384 4.010 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC001254346624 1062082318 /nfs/dbraw/zinc/08/23/18/1062082318.db2.gz SOPMKEQOZIWJFU-UHFFFAOYSA-N 1 0 324.399 4.025 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1ccoc1 ZINC001254348597 1062082508 /nfs/dbraw/zinc/08/25/08/1062082508.db2.gz TYZKOQOWWJYYPR-YCMKEVRSSA-N 1 0 312.388 4.473 20 30 DIEDRO C[N@H+](Cc1ccncc1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254352778 1062083208 /nfs/dbraw/zinc/08/32/08/1062083208.db2.gz DLXKQNQPICCGFZ-UHFFFAOYSA-N 1 0 323.415 4.057 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC001254353208 1062086016 /nfs/dbraw/zinc/08/60/16/1062086016.db2.gz VBZXHABUKRMQKT-UHFFFAOYSA-N 1 0 322.374 4.261 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC001254385302 1062089966 /nfs/dbraw/zinc/08/99/66/1062089966.db2.gz COJWVXDWFWKUEW-DYESRHJHSA-N 1 0 320.436 4.300 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC001254385305 1062092180 /nfs/dbraw/zinc/09/21/80/1062092180.db2.gz COJWVXDWFWKUEW-UWJYYQICSA-N 1 0 320.436 4.300 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC001474431022 1062106250 /nfs/dbraw/zinc/10/62/50/1062106250.db2.gz ZCRCKKMUIHHTSL-OAHLLOKOSA-N 1 0 300.471 4.065 20 30 DIEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C2CCC3(CC3)CC2)C1 ZINC001254446385 1062107715 /nfs/dbraw/zinc/10/77/15/1062107715.db2.gz WFHDXVIEVFETKO-GOSISDBHSA-N 1 0 310.441 4.124 20 30 DIEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](C3CCC4(CC4)CC3)C2)cc1 ZINC001254448633 1062108023 /nfs/dbraw/zinc/10/80/23/1062108023.db2.gz DAHDHQIBYHTCAW-LJQANCHMSA-N 1 0 310.441 4.124 20 30 DIEDRO C#CCCCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001459352824 1062108200 /nfs/dbraw/zinc/10/82/00/1062108200.db2.gz DZDAHUQTACZGDC-UHFFFAOYSA-N 1 0 302.418 4.389 20 30 DIEDRO CCC[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H](CC)c1ccccc1 ZINC001459365075 1062114329 /nfs/dbraw/zinc/11/43/29/1062114329.db2.gz BITYQJPOBOFHKN-RBUKOAKNSA-N 1 0 314.473 4.295 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC001474440997 1062118026 /nfs/dbraw/zinc/11/80/26/1062118026.db2.gz BQIYPROGOQSZQV-SJORKVTESA-N 1 0 302.462 4.131 20 30 DIEDRO CC(C)C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1F ZINC001459383407 1062120091 /nfs/dbraw/zinc/12/00/91/1062120091.db2.gz RWDVRPJAYNVMRQ-UHFFFAOYSA-N 1 0 313.391 4.475 20 30 DIEDRO Cc1cnc(CC[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)c1 ZINC001459380760 1062120570 /nfs/dbraw/zinc/12/05/70/1062120570.db2.gz MRRZOYHRQFVECX-UHFFFAOYSA-N 1 0 321.468 4.271 20 30 DIEDRO N#CCC1(C[N@@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC001459382325 1062120941 /nfs/dbraw/zinc/12/09/41/1062120941.db2.gz BZXFOQNEMKTVBS-UHFFFAOYSA-N 1 0 319.246 4.107 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC(C)(C)O1 ZINC001459389638 1062125391 /nfs/dbraw/zinc/12/53/91/1062125391.db2.gz ITCVXAOYGZSYLU-SFHVURJKSA-N 1 0 300.446 4.116 20 30 DIEDRO C=CC[N@H+](CCC1(C#N)CCCCC1)Cc1cccc(C#N)c1 ZINC001459398189 1062128970 /nfs/dbraw/zinc/12/89/70/1062128970.db2.gz KMLLHZDDXLONMI-UHFFFAOYSA-N 1 0 307.441 4.410 20 30 DIEDRO C=C(C)c1cccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001467478780 1062135841 /nfs/dbraw/zinc/13/58/41/1062135841.db2.gz ZXTXRQLHRHFIAF-MRXNPFEDSA-N 1 0 315.461 4.106 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+]CCCCCc1ccc(F)cc1 ZINC001474461918 1062140226 /nfs/dbraw/zinc/14/02/26/1062140226.db2.gz XPLAUJWHWFVJMU-UHFFFAOYSA-N 1 0 314.379 4.339 20 30 DIEDRO CCCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H](C)c1ccc(C)o1 ZINC001459443458 1062144396 /nfs/dbraw/zinc/14/43/96/1062144396.db2.gz JEBPLIQIEVKVNF-DLBZAZTESA-N 1 0 318.461 4.196 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCc2ccc(F)c(F)c2)cc1Cl ZINC001474470455 1062149151 /nfs/dbraw/zinc/14/91/51/1062149151.db2.gz JWHOTIDFEAKKKJ-UHFFFAOYSA-N 1 0 320.770 4.212 20 30 DIEDRO C=CC[N@@H+](CCCCc1cccc(C(F)(F)F)c1)CCOC ZINC001474496511 1062177462 /nfs/dbraw/zinc/17/74/62/1062177462.db2.gz NUMIEYCUHSBXHT-UHFFFAOYSA-N 1 0 315.379 4.163 20 30 DIEDRO COc1cccc(C2CC([NH2+][C@H]3CCc4cc(C#N)ccc43)C2)c1 ZINC001474497751 1062178732 /nfs/dbraw/zinc/17/87/32/1062178732.db2.gz MUOHNWLQSMAEDM-NGICGMGXSA-N 1 0 318.420 4.090 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCC2(CCC2)CO1 ZINC001459535025 1062188685 /nfs/dbraw/zinc/18/86/85/1062188685.db2.gz YVBORSVSLILRDB-AQNXPRMDSA-N 1 0 324.468 4.107 20 30 DIEDRO CC(C)[C@@H](C[NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC001474509910 1062190623 /nfs/dbraw/zinc/19/06/23/1062190623.db2.gz ZAQPMLJTLHWRRE-GOSISDBHSA-N 1 0 313.832 4.136 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2C(F)(F)F)C1 ZINC001254644195 1062213283 /nfs/dbraw/zinc/21/32/83/1062213283.db2.gz VPXGSLDDVNGEMU-UWVGGRQHSA-N 1 0 302.727 4.141 20 30 DIEDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)o1 ZINC001459538151 1062193510 /nfs/dbraw/zinc/19/35/10/1062193510.db2.gz FHMGVJXNZVYRMW-RBUKOAKNSA-N 1 0 324.424 4.110 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC001474514856 1062198219 /nfs/dbraw/zinc/19/82/19/1062198219.db2.gz JCCZXGVABYDSKC-OAHLLOKOSA-N 1 0 300.446 4.426 20 30 DIEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H](C)CCC#N ZINC001474514563 1062198939 /nfs/dbraw/zinc/19/89/39/1062198939.db2.gz AGOKXRIOWLYFAM-RYRKJORJSA-N 1 0 300.446 4.408 20 30 DIEDRO C=CCC1(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C)C2)CCCC1 ZINC001474521478 1062206361 /nfs/dbraw/zinc/20/63/61/1062206361.db2.gz MLCOGDXEVOCGDX-BRWVUGGUSA-N 1 0 307.478 4.080 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001254644367 1062213532 /nfs/dbraw/zinc/21/35/32/1062213532.db2.gz WZHKWVSSXZZDPC-KOLCDFICSA-N 1 0 302.727 4.141 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001254643429 1062213707 /nfs/dbraw/zinc/21/37/07/1062213707.db2.gz NYZLIJSGLAFVPH-KOLCDFICSA-N 1 0 302.727 4.141 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001254643941 1062213755 /nfs/dbraw/zinc/21/37/55/1062213755.db2.gz OWGOZCXWKLDMTM-RHSMWYFYSA-N 1 0 310.372 4.400 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001254644366 1062214012 /nfs/dbraw/zinc/21/40/12/1062214012.db2.gz WZHKWVSSXZZDPC-GXSJLCMTSA-N 1 0 302.727 4.141 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2cncc(C#N)c2)cc1 ZINC001459561191 1062214291 /nfs/dbraw/zinc/21/42/91/1062214291.db2.gz MKTOVTITWUIQFG-WOJBJXKFSA-N 1 0 305.425 4.030 20 30 DIEDRO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254646699 1062214804 /nfs/dbraw/zinc/21/48/04/1062214804.db2.gz CFDXHSLSNCVCII-ZFWWWQNUSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254668624 1062221467 /nfs/dbraw/zinc/22/14/67/1062221467.db2.gz GXCMQHBRTASVPF-XBFCOCLRSA-N 1 0 309.240 4.475 20 30 DIEDRO Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@H]1CC[C@H](C#N)C1 ZINC001254672427 1062222839 /nfs/dbraw/zinc/22/28/39/1062222839.db2.gz AYGRXVDQOKWKFC-RDJZCZTQSA-N 1 0 307.441 4.282 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001254667429 1062223245 /nfs/dbraw/zinc/22/32/45/1062223245.db2.gz BZRQTZVLGVGQKM-NJAFHUGGSA-N 1 0 318.848 4.013 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(Cc3cnc4ccccc4c3)CC2)C1 ZINC001254674894 1062226008 /nfs/dbraw/zinc/22/60/08/1062226008.db2.gz AKWYMHMVFKMVDI-PXNSSMCTSA-N 1 0 319.452 4.182 20 30 DIEDRO N#C[C@@H]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001254674284 1062227733 /nfs/dbraw/zinc/22/77/33/1062227733.db2.gz WPLFCZKPBQZUMF-CJNGLKHVSA-N 1 0 311.404 4.112 20 30 DIEDRO N#C[C@@H]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3cc(F)ccc32)C1 ZINC001254673522 1062228226 /nfs/dbraw/zinc/22/82/26/1062228226.db2.gz MEAFDEBPBLFEIX-CJNGLKHVSA-N 1 0 311.404 4.112 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC001459589977 1062229762 /nfs/dbraw/zinc/22/97/62/1062229762.db2.gz KKWJGIGCAGFPKA-QGZVFWFLSA-N 1 0 314.473 4.422 20 30 DIEDRO CC[C@@H]1CCCC[C@H]1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001474555641 1062257812 /nfs/dbraw/zinc/25/78/12/1062257812.db2.gz ZVNXZDDUDBGQDX-UXHICEINSA-N 1 0 314.473 4.223 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccc(Cl)cc1 ZINC001474558334 1062260249 /nfs/dbraw/zinc/26/02/49/1062260249.db2.gz ZXAFXVGXALONLM-UGSOOPFHSA-N 1 0 301.792 4.374 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001254897569 1062274379 /nfs/dbraw/zinc/27/43/79/1062274379.db2.gz XHYOJDNWRNKRCU-RBUKOAKNSA-N 1 0 314.473 4.016 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)cc1 ZINC001474587188 1062294972 /nfs/dbraw/zinc/29/49/72/1062294972.db2.gz ZUTMMDSVECZYNH-LJQANCHMSA-N 1 0 311.375 4.153 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C ZINC001459680815 1062303167 /nfs/dbraw/zinc/30/31/67/1062303167.db2.gz BOUZBYNSOKHXEZ-WOJBJXKFSA-N 1 0 303.490 4.499 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001474591292 1062306004 /nfs/dbraw/zinc/30/60/04/1062306004.db2.gz DYAWGGUKQDXQKS-ZCTGUTNYSA-N 1 0 322.374 4.412 20 30 DIEDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001459696663 1062313007 /nfs/dbraw/zinc/31/30/07/1062313007.db2.gz UYMGFBLZVWYCKY-OALUTQOASA-N 1 0 314.473 4.201 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001474610700 1062324956 /nfs/dbraw/zinc/32/49/56/1062324956.db2.gz BKBXWXZSPRQCNT-JXFKEZNVSA-N 1 0 317.473 4.230 20 30 DIEDRO CC#CC[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC001459718274 1062333394 /nfs/dbraw/zinc/33/33/94/1062333394.db2.gz KXEBDOPHZDJCKC-UHFFFAOYSA-N 1 0 320.274 4.307 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001474614671 1062336265 /nfs/dbraw/zinc/33/62/65/1062336265.db2.gz YVQUSBRFWZLLGQ-DOMZBBRYSA-N 1 0 304.409 4.346 20 30 DIEDRO CC(C)CN(C[C@H]1CCCC[N@@H+]1C(C)C)c1ccc(C#N)cc1 ZINC001459723943 1062337742 /nfs/dbraw/zinc/33/77/42/1062337742.db2.gz XELCVWJVVVDKBJ-HXUWFJFHSA-N 1 0 313.489 4.284 20 30 DIEDRO CC(C)CN(C[C@@H]1CCCC[N@@H+]1C(C)C)c1ccc(C#N)cc1 ZINC001459723939 1062338337 /nfs/dbraw/zinc/33/83/37/1062338337.db2.gz XELCVWJVVVDKBJ-FQEVSTJZSA-N 1 0 313.489 4.284 20 30 DIEDRO CC[C@H](CC#N)[NH2+]C1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001255160872 1062345115 /nfs/dbraw/zinc/34/51/15/1062345115.db2.gz RGOCXSVGARGCIT-MRXNPFEDSA-N 1 0 306.400 4.459 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCCC2(CCCC2)CC1 ZINC001474626412 1062345839 /nfs/dbraw/zinc/34/58/39/1062345839.db2.gz LXODXRIHVXCWGL-UHFFFAOYSA-N 1 0 311.473 4.171 20 30 DIEDRO CC[C@@H](CC#N)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC001255173994 1062348601 /nfs/dbraw/zinc/34/86/01/1062348601.db2.gz GVTCYNDWHKBYHM-INIZCTEOSA-N 1 0 321.262 4.321 20 30 DIEDRO CC[C@H](CC#N)[NH2+]C1(Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001255162754 1062348905 /nfs/dbraw/zinc/34/89/05/1062348905.db2.gz YCMJTWDWGDVMMK-OAHLLOKOSA-N 1 0 310.363 4.452 20 30 DIEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)C12CCC2 ZINC001474631672 1062353902 /nfs/dbraw/zinc/35/39/02/1062353902.db2.gz MZRVOYKHDLTYOD-JKSUJKDBSA-N 1 0 304.478 4.176 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccc(OCC=C)cc1)C(C)(C)C ZINC001459750145 1062362094 /nfs/dbraw/zinc/36/20/94/1062362094.db2.gz XVDAHRIBIXRLRS-GOSISDBHSA-N 1 0 317.473 4.179 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC001474646183 1062372170 /nfs/dbraw/zinc/37/21/70/1062372170.db2.gz CQCPATBVSITEGP-GFCCVEGCSA-N 1 0 313.272 4.457 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001474648235 1062375621 /nfs/dbraw/zinc/37/56/21/1062375621.db2.gz ZWSGEORSQBFEER-CQSZACIVSA-N 1 0 314.454 4.217 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC001474647617 1062376105 /nfs/dbraw/zinc/37/61/05/1062376105.db2.gz RHGYJXWWBKJACB-KRWDZBQOSA-N 1 0 305.421 4.207 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC001474646848 1062376480 /nfs/dbraw/zinc/37/64/80/1062376480.db2.gz JEAZKVLUVOBDKA-OAHLLOKOSA-N 1 0 312.388 4.411 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(Br)c(C)s2)C1 ZINC001474647805 1062376546 /nfs/dbraw/zinc/37/65/46/1062376546.db2.gz UWSQUVZTCMLETP-LLVKDONJSA-N 1 0 300.265 4.217 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCC(C)(C)CC1)C2 ZINC001255304164 1062385406 /nfs/dbraw/zinc/38/54/06/1062385406.db2.gz HKYUSPGYFPPXHI-AZUAARDMSA-N 1 0 321.505 4.029 20 30 DIEDRO CC(C)C[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001459771745 1062385741 /nfs/dbraw/zinc/38/57/41/1062385741.db2.gz LKMCKLJQFXIWBN-GOSISDBHSA-N 1 0 300.446 4.085 20 30 DIEDRO CC[C@@H](C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001474654672 1062386359 /nfs/dbraw/zinc/38/63/59/1062386359.db2.gz KUVWXBIOBJYDKD-KRWDZBQOSA-N 1 0 304.437 4.305 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001474677246 1062408210 /nfs/dbraw/zinc/40/82/10/1062408210.db2.gz HUOGUVCJYGHVGI-FDFHNCONSA-N 1 0 316.448 4.260 20 30 DIEDRO CC(C)(C)[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001459803743 1062409919 /nfs/dbraw/zinc/40/99/19/1062409919.db2.gz BBBNRFWJPONZCS-MRXNPFEDSA-N 1 0 309.375 4.425 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3OC)CC2)cc1 ZINC001474678930 1062410628 /nfs/dbraw/zinc/41/06/28/1062410628.db2.gz BLVPEXXZIBYSLL-FQEVSTJZSA-N 1 0 319.448 4.446 20 30 DIEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001459804336 1062413670 /nfs/dbraw/zinc/41/36/70/1062413670.db2.gz CKAANLSLGIKKET-CQSZACIVSA-N 1 0 321.262 4.189 20 30 DIEDRO C=CCCC[C@@H]([NH2+][C@@H](C)[C@H]1COC(C)(C)O1)c1ccccc1 ZINC001474685746 1062416031 /nfs/dbraw/zinc/41/60/31/1062416031.db2.gz ACZDPCXVDDCCSG-CGTJXYLNSA-N 1 0 303.446 4.214 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC001474693375 1062421945 /nfs/dbraw/zinc/42/19/45/1062421945.db2.gz QZMYEDNNIMCZGI-AEFFLSMTSA-N 1 0 300.446 4.213 20 30 DIEDRO Cc1ccc(C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)cc1C#N ZINC001474701429 1062429536 /nfs/dbraw/zinc/42/95/36/1062429536.db2.gz LIHJNNUCEVFPGV-CYBMUJFWSA-N 1 0 300.352 4.038 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC001474705537 1062431631 /nfs/dbraw/zinc/43/16/31/1062431631.db2.gz NXPRZYLGRHNFCG-RBBKRZOGSA-N 1 0 316.448 4.261 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 ZINC001474713203 1062440382 /nfs/dbraw/zinc/44/03/82/1062440382.db2.gz RLVKMVYLKVBNLU-QXCZDIPSSA-N 1 0 309.494 4.074 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001474737968 1062455517 /nfs/dbraw/zinc/45/55/17/1062455517.db2.gz FCFYXXPWCFQBTN-VEDCXYSMSA-N 1 0 319.452 4.427 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC001474745370 1062460698 /nfs/dbraw/zinc/46/06/98/1062460698.db2.gz USMWAWCTMRQHKK-GFCCVEGCSA-N 1 0 303.372 4.054 20 30 DIEDRO C#Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001474743385 1062460868 /nfs/dbraw/zinc/46/08/68/1062460868.db2.gz KOLPBNNQDCEHER-DYESRHJHSA-N 1 0 304.437 4.133 20 30 DIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)CC2CCC(C#N)CC2)cc1 ZINC001459873844 1062462132 /nfs/dbraw/zinc/46/21/32/1062462132.db2.gz NGRWCKILAGUDGZ-IPJUCJBFSA-N 1 0 314.473 4.136 20 30 DIEDRO C[C@@H](C#N)C[N@H+](CCCSc1ccccc1Cl)C1CC1 ZINC001459875632 1062466949 /nfs/dbraw/zinc/46/69/49/1062466949.db2.gz FUZGZDVCOSMRJC-ZDUSSCGKSA-N 1 0 308.878 4.446 20 30 DIEDRO N#CC12CCC([NH2+]C3CCC(C(F)(F)F)CC3)(CC1)CC2 ZINC001255509245 1062467328 /nfs/dbraw/zinc/46/73/28/1062467328.db2.gz GBWSAERPZPUMCV-UHFFFAOYSA-N 1 0 300.368 4.314 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC001459907987 1062489373 /nfs/dbraw/zinc/48/93/73/1062489373.db2.gz RNMNXFMXAIYQSP-OAQYLSRUSA-N 1 0 320.436 4.164 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001255636480 1062491244 /nfs/dbraw/zinc/49/12/44/1062491244.db2.gz OSGSQUVTOQAAOV-SSDOTTSWSA-N 1 0 319.220 4.155 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(C(F)(F)F)c1F ZINC001255633953 1062492232 /nfs/dbraw/zinc/49/22/32/1062492232.db2.gz QPVIYFWPAPPQTI-ZETCQYMHSA-N 1 0 303.221 4.275 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cccc(C(F)(F)F)c1F ZINC001255633951 1062492421 /nfs/dbraw/zinc/49/24/21/1062492421.db2.gz QPVIYFWPAPPQTI-SSDOTTSWSA-N 1 0 303.221 4.275 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]CCc1cc(C(F)(F)F)ccc1F ZINC001255640938 1062495016 /nfs/dbraw/zinc/49/50/16/1062495016.db2.gz FYKLFNCEKYWNAS-MRVPVSSYSA-N 1 0 317.248 4.318 20 30 DIEDRO Cc1ccc([C@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)C2)cc1 ZINC001459939496 1062510830 /nfs/dbraw/zinc/51/08/30/1062510830.db2.gz YUZRWCGRAOZOLD-FQEVSTJZSA-N 1 0 320.436 4.125 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001459942308 1062512853 /nfs/dbraw/zinc/51/28/53/1062512853.db2.gz JBSBBEDQJCNZGJ-IBGZPJMESA-N 1 0 324.509 4.432 20 30 DIEDRO C=CCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001459943112 1062513376 /nfs/dbraw/zinc/51/33/76/1062513376.db2.gz BWIPMAGMWXXSFC-KRWDZBQOSA-N 1 0 322.880 4.195 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC001459948886 1062514641 /nfs/dbraw/zinc/51/46/41/1062514641.db2.gz FZAGKZXDLFKQTN-HNNXBMFYSA-N 1 0 310.363 4.338 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)(CC1)CC2 ZINC001255692184 1062520663 /nfs/dbraw/zinc/52/06/63/1062520663.db2.gz MZSTVBYDPBXKEB-DNDYEEKYSA-N 1 0 300.368 4.314 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[NH2+]Cc1csc(C#N)c1 ZINC001255734744 1062557548 /nfs/dbraw/zinc/55/75/48/1062557548.db2.gz STFGDYDYYAGMFU-NSHDSACASA-N 1 0 306.431 4.029 20 30 DIEDRO C=CCOCC[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001459997445 1062558334 /nfs/dbraw/zinc/55/83/34/1062558334.db2.gz MHSLQCJWPBUUQV-MRXNPFEDSA-N 1 0 313.363 4.435 20 30 DIEDRO C#CCCCCCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC001460004567 1062559272 /nfs/dbraw/zinc/55/92/72/1062559272.db2.gz SURXDPPBRIFUAQ-IBGZPJMESA-N 1 0 319.876 4.215 20 30 DIEDRO C=CC[C@@H]1[N@H+](CCc2nc3ccccc3n2C)CCCC1(C)C ZINC001460026503 1062581085 /nfs/dbraw/zinc/58/10/85/1062581085.db2.gz BAQGBEUHWPZLPI-SFHVURJKSA-N 1 0 311.473 4.183 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@H](O)c2cccc(Cl)c2)CCCC1(C)C ZINC001460031263 1062584422 /nfs/dbraw/zinc/58/44/22/1062584422.db2.gz RTDUXZMPUWOQAR-DLBZAZTESA-N 1 0 307.865 4.440 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)Cc1csc(C2CCCCC2)n1 ZINC001460030500 1062584588 /nfs/dbraw/zinc/58/45/88/1062584588.db2.gz FWGPFYXIUVMTFT-UHFFFAOYSA-N 1 0 321.534 4.131 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCCC1(C)C ZINC001460032164 1062585237 /nfs/dbraw/zinc/58/52/37/1062585237.db2.gz LCUKRHYPGJSSOU-QGZVFWFLSA-N 1 0 313.401 4.033 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001460041535 1062594161 /nfs/dbraw/zinc/59/41/61/1062594161.db2.gz JNOJOKJKZKKEIW-CQSZACIVSA-N 1 0 300.229 4.413 20 30 DIEDRO Cc1ccc(C[C@@H](C)NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001255780409 1062602287 /nfs/dbraw/zinc/60/22/87/1062602287.db2.gz NHCOIBYWADYUFX-OAHLLOKOSA-N 1 0 318.420 4.190 20 30 DIEDRO CC#CC(=O)Nc1ccc(C[N@H+](CCC)Cc2ccccc2)cc1 ZINC001469662019 1062603096 /nfs/dbraw/zinc/60/30/96/1062603096.db2.gz XLOICZJFKAKBJW-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001460067469 1062611263 /nfs/dbraw/zinc/61/12/63/1062611263.db2.gz CMZWLNINLWEJMH-RTWAWAEBSA-N 1 0 305.421 4.042 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1F ZINC001460066285 1062612904 /nfs/dbraw/zinc/61/29/04/1062612904.db2.gz CAEMCLFMDIGEJK-ZVDOUQERSA-N 1 0 320.411 4.465 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC3(CCC3)CC2)cc1 ZINC001460066671 1062612984 /nfs/dbraw/zinc/61/29/84/1062612984.db2.gz BFQMWLBBDXAPEA-UHFFFAOYSA-N 1 0 307.359 4.323 20 30 DIEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC001460111488 1062643089 /nfs/dbraw/zinc/64/30/89/1062643089.db2.gz NLJGRJUFCNIFSR-DLBZAZTESA-N 1 0 320.864 4.072 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001255869156 1062647151 /nfs/dbraw/zinc/64/71/51/1062647151.db2.gz YDLFMVSRURLFJY-KRWDZBQOSA-N 1 0 322.427 4.314 20 30 DIEDRO C#CCCCCCC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC001460131824 1062650358 /nfs/dbraw/zinc/65/03/58/1062650358.db2.gz WCZDBJDJSCNMQR-UHFFFAOYSA-N 1 0 320.427 4.061 20 30 DIEDRO CC(C)C[C@]1(C)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001460136012 1062653791 /nfs/dbraw/zinc/65/37/91/1062653791.db2.gz OQUQYINCFCBWFR-IBGZPJMESA-N 1 0 300.446 4.228 20 30 DIEDRO CC#CC[N@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001460173676 1062678818 /nfs/dbraw/zinc/67/88/18/1062678818.db2.gz UKPCFIYIOQUVFS-UHFFFAOYSA-N 1 0 302.215 4.057 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nnc(-c2ccc3ccccc3c2)o1 ZINC001256029400 1062686579 /nfs/dbraw/zinc/68/65/79/1062686579.db2.gz FEAUYYIJKJQVLN-UHFFFAOYSA-N 1 0 319.408 4.389 20 30 DIEDRO C=C(CC)C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460208142 1062698583 /nfs/dbraw/zinc/69/85/83/1062698583.db2.gz OBEWWJAUVCGUGC-UHFFFAOYSA-N 1 0 322.493 4.066 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(C3CCC3)CCC2)c(Br)c1 ZINC001460223329 1062708999 /nfs/dbraw/zinc/70/89/99/1062708999.db2.gz ZSXABGUDWJTPLX-UHFFFAOYSA-N 1 0 319.246 4.133 20 30 DIEDRO COc1cccc(C[C@H](C)[NH2+]C(C)(C)c2ccc(C#N)cc2)c1 ZINC001256146592 1062726610 /nfs/dbraw/zinc/72/66/10/1062726610.db2.gz ZRAKRTHBKFDKSC-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO C#CC(CC)(CC)[NH2+][C@H](C)Cc1cccc(Br)c1 ZINC001256170037 1062740095 /nfs/dbraw/zinc/74/00/95/1062740095.db2.gz IENFMOKYSVEKRE-CYBMUJFWSA-N 1 0 308.263 4.162 20 30 DIEDRO C[N@H+](CCOc1ccccc1C#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC001460268546 1062746246 /nfs/dbraw/zinc/74/62/46/1062746246.db2.gz ZYNJYXZRLFIYBQ-SJORKVTESA-N 1 0 300.446 4.084 20 30 DIEDRO CC[N@H+](CCC#N)[C@H](C)CCc1ccc(Br)cc1 ZINC001256227219 1062754630 /nfs/dbraw/zinc/75/46/30/1062754630.db2.gz SETOAKIREPJLIK-CYBMUJFWSA-N 1 0 309.251 4.006 20 30 DIEDRO C[N@H+](CCC(C)(C)C)Cc1ccc(C#N)cc1Br ZINC001460296764 1062769831 /nfs/dbraw/zinc/76/98/31/1062769831.db2.gz IEURTPAAJFWOGI-UHFFFAOYSA-N 1 0 309.251 4.189 20 30 DIEDRO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC2(CCCCC2)O1 ZINC001460317549 1062776287 /nfs/dbraw/zinc/77/62/87/1062776287.db2.gz LUVRZWVNWBXPHU-KRWDZBQOSA-N 1 0 304.478 4.274 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CCC(C)C)[C@H]2CC ZINC001256364228 1062787740 /nfs/dbraw/zinc/78/77/40/1062787740.db2.gz QMFYWSMPNGTDDV-HBFSDRIKSA-N 1 0 320.521 4.233 20 30 DIEDRO CC[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1F ZINC001460337856 1062789991 /nfs/dbraw/zinc/78/99/91/1062789991.db2.gz GLNWYWVNXATSFP-IBGZPJMESA-N 1 0 312.388 4.207 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](CC)C(=O)Nc2ccc(C)cc2)C1 ZINC001460359962 1062806775 /nfs/dbraw/zinc/80/67/75/1062806775.db2.gz IPLUHODXAIKFTG-FUHWJXTLSA-N 1 0 300.446 4.000 20 30 DIEDRO CC(C)c1ccc2c(c1)CN(Cc1ccc(C#N)c(F)c1)CC2 ZINC001460367135 1062815384 /nfs/dbraw/zinc/81/53/84/1062815384.db2.gz UXWPHODXFMHPAV-UHFFFAOYSA-N 1 0 308.400 4.379 20 30 DIEDRO C=CCCCCC[NH+]1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC001460371339 1062816799 /nfs/dbraw/zinc/81/67/99/1062816799.db2.gz ZGRNIVJTZVOFHN-RDJZCZTQSA-N 1 0 317.477 4.194 20 30 DIEDRO C=CCCCCC[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC001460371340 1062818096 /nfs/dbraw/zinc/81/80/96/1062818096.db2.gz ZGRNIVJTZVOFHN-WBVHZDCISA-N 1 0 317.477 4.194 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256477450 1062834646 /nfs/dbraw/zinc/83/46/46/1062834646.db2.gz AXDSMWGAESMLJN-HZPDHXFCSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)OC)c1Cl ZINC001460411596 1062839778 /nfs/dbraw/zinc/83/97/78/1062839778.db2.gz RGZANNHEFIXRGZ-CZUORRHYSA-N 1 0 321.848 4.351 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(OC)c2ccccc12 ZINC001460408186 1062841497 /nfs/dbraw/zinc/84/14/97/1062841497.db2.gz HUCTXXSENJIGFV-BEFAXECRSA-N 1 0 310.441 4.468 20 30 DIEDRO Cc1ccccc1SC[C@H](C)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001460416902 1062843804 /nfs/dbraw/zinc/84/38/04/1062843804.db2.gz JDLSHAVVZTYHJF-WBVHZDCISA-N 1 0 302.487 4.349 20 30 DIEDRO C=CC[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C(C)(C)C ZINC001460440577 1062856419 /nfs/dbraw/zinc/85/64/19/1062856419.db2.gz BGRQOJAMIZSHJC-INIZCTEOSA-N 1 0 322.518 4.238 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)c(C)c1 ZINC001460488842 1062880430 /nfs/dbraw/zinc/88/04/30/1062880430.db2.gz QZEZYKAQXGTXOY-GASCZTMLSA-N 1 0 306.247 4.441 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)(C)C ZINC001256560698 1062881003 /nfs/dbraw/zinc/88/10/03/1062881003.db2.gz SODYIGXSDYNBGN-IEBWSBKVSA-N 1 0 300.490 4.326 20 30 DIEDRO CC(C)(C)C[N@H+](CCCCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC001460492954 1062881630 /nfs/dbraw/zinc/88/16/30/1062881630.db2.gz GCCILQPWOAWNMH-UHFFFAOYSA-N 1 0 324.509 4.396 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001256603904 1062911811 /nfs/dbraw/zinc/91/18/11/1062911811.db2.gz MYZREITWHFQEFS-UHFFFAOYSA-N 1 0 304.384 4.025 20 30 DIEDRO C=C(Cl)C[N@H+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC001460602069 1062928327 /nfs/dbraw/zinc/92/83/27/1062928327.db2.gz CSZAWYOICNBRJE-WCQYABFASA-N 1 0 314.654 4.379 20 30 DIEDRO C=CC[N@@H+](C1CCC(N(C)C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC001256672746 1062941844 /nfs/dbraw/zinc/94/18/44/1062941844.db2.gz DHMAOHAENANEFD-UHFFFAOYSA-N 1 0 324.509 4.451 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CC3CCC4(CC4)CC3)CCOCC2)cc1 ZINC001460623532 1062942495 /nfs/dbraw/zinc/94/24/95/1062942495.db2.gz ZOVLIBNGQFDQIP-UHFFFAOYSA-N 1 0 324.468 4.124 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC001460623746 1062943332 /nfs/dbraw/zinc/94/33/32/1062943332.db2.gz RUGIKSBMIBDOIF-GOSISDBHSA-N 1 0 308.510 4.214 20 30 DIEDRO CC(C)([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC001256785542 1062977658 /nfs/dbraw/zinc/97/76/58/1062977658.db2.gz GPHRQGYEROMDKZ-UXHICEINSA-N 1 0 320.436 4.303 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3CCO[C@H](c4ccccc4)C3)(CC1)CC2 ZINC001256800894 1062987527 /nfs/dbraw/zinc/98/75/27/1062987527.db2.gz RTYXUUXASAKZNO-VCAKUFKGSA-N 1 0 310.441 4.113 20 30 DIEDRO C=C(Br)C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1(C)C ZINC001460696533 1062996186 /nfs/dbraw/zinc/99/61/86/1062996186.db2.gz NLJDLFRTTUFHKY-HNNXBMFYSA-N 1 0 308.263 4.472 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCSC[C@@H]2c2ccccc2)cc1 ZINC001460701567 1062999828 /nfs/dbraw/zinc/99/98/28/1062999828.db2.gz AYNGOUZPAFUNPM-LJQANCHMSA-N 1 0 308.450 4.238 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCCSC[C@H]2c2ccccc2)cc1 ZINC001460704826 1063000926 /nfs/dbraw/zinc/00/09/26/1063000926.db2.gz GDKHDRZAPYDJTH-FQEVSTJZSA-N 1 0 322.477 4.281 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[NH2+]CC1(C#N)CCCC1 ZINC001256825166 1063002184 /nfs/dbraw/zinc/00/21/84/1063002184.db2.gz PRTWIQYEEBPCPN-ZDUSSCGKSA-N 1 0 321.262 4.054 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001256830961 1063006619 /nfs/dbraw/zinc/00/66/19/1063006619.db2.gz NKAOXTJJKKIZSK-KCQAQPDRSA-N 1 0 321.262 4.052 20 30 DIEDRO CC[C@@]1(CCc2ccccc2)CCC[N@@H+]1Cc1ccncc1C#N ZINC001460711236 1063006732 /nfs/dbraw/zinc/00/67/32/1063006732.db2.gz TVPPYJMPFLURFR-NRFANRHFSA-N 1 0 319.452 4.331 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCC(CC)CC1)C2 ZINC001256871267 1063025770 /nfs/dbraw/zinc/02/57/70/1063025770.db2.gz LLADZCRILNKQHF-NTFDOXNWSA-N 1 0 321.505 4.029 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001256955974 1063058948 /nfs/dbraw/zinc/05/89/48/1063058948.db2.gz FWTQDEXYOWWYOW-UHFFFAOYSA-N 1 0 300.299 4.016 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cc(F)c(Cl)cc2Cl)CC1 ZINC001256953754 1063059288 /nfs/dbraw/zinc/05/92/88/1063059288.db2.gz BEKOTMAUFDOVEB-UHFFFAOYSA-N 1 0 301.192 4.304 20 30 DIEDRO N#CC1CCC([NH2+][C@@H]2CCc3ccc(C(F)(F)F)cc32)CC1 ZINC001256962820 1063060554 /nfs/dbraw/zinc/06/05/54/1063060554.db2.gz ZOEXPYCSEQMUOO-HFLCMSJXSA-N 1 0 308.347 4.365 20 30 DIEDRO COc1cc(Cl)cc([C@@H](C)[NH2+]C2CCC(C#N)CC2)c1OC ZINC001256960129 1063060982 /nfs/dbraw/zinc/06/09/82/1063060982.db2.gz HYNPBTJHVKWONM-LKSINWNRSA-N 1 0 322.836 4.090 20 30 DIEDRO N#CC1CCC([N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001256967072 1063062494 /nfs/dbraw/zinc/06/24/94/1063062494.db2.gz UGRHJCDVGMKOTC-BCKAPOECSA-N 1 0 324.468 4.107 20 30 DIEDRO N#CC1CCC([NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)CC1 ZINC001256968608 1063062863 /nfs/dbraw/zinc/06/28/63/1063062863.db2.gz XCVOFNSRAZJSTH-SYYJFZTOSA-N 1 0 324.468 4.107 20 30 DIEDRO N#CC1CCC([N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC001256973765 1063064084 /nfs/dbraw/zinc/06/40/84/1063064084.db2.gz XUMPNEKNVNTZCQ-UHFFFAOYSA-N 1 0 308.347 4.146 20 30 DIEDRO N#CC1CCC([NH+]2CCC(c3ccc(F)cc3F)CC2)CC1 ZINC001256971552 1063065098 /nfs/dbraw/zinc/06/50/98/1063065098.db2.gz VEDRADRVRCJEIR-UHFFFAOYSA-N 1 0 304.384 4.227 20 30 DIEDRO N#CC1CCC([N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)CC1 ZINC001256970257 1063065321 /nfs/dbraw/zinc/06/53/21/1063065321.db2.gz WHYQBOUYXCEGCP-UHFFFAOYSA-N 1 0 308.347 4.146 20 30 DIEDRO C[N@H+](CCc1ccc(C(F)(F)F)cc1)C1CCC(C#N)CC1 ZINC001256971607 1063066888 /nfs/dbraw/zinc/06/68/88/1063066888.db2.gz WGRHYKNPESEJPT-UHFFFAOYSA-N 1 0 310.363 4.262 20 30 DIEDRO C=CCC1(O)CC[NH+](C[C@H](C)CSc2ccccc2C)CC1 ZINC001460799953 1063067666 /nfs/dbraw/zinc/06/76/66/1063067666.db2.gz GOEHORDLTVTKMR-INIZCTEOSA-N 1 0 319.514 4.126 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]Cc3ccccc3O)CC2)cc1 ZINC001257008026 1063075302 /nfs/dbraw/zinc/07/53/02/1063075302.db2.gz HEFDRKBOFFUTQX-UHFFFAOYSA-N 1 0 306.409 4.080 20 30 DIEDRO COc1ccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001257011375 1063076753 /nfs/dbraw/zinc/07/67/53/1063076753.db2.gz MLUZNGQXRKLXKF-UHFFFAOYSA-N 1 0 320.436 4.383 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CC[C@H]3CCCCO3)CC2)cc1 ZINC001257011226 1063077309 /nfs/dbraw/zinc/07/73/09/1063077309.db2.gz HOUAOHQWLTYBQY-SOAGJPPSSA-N 1 0 312.457 4.133 20 30 DIEDRO C[C@@H](COCC1CCCCC1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001460811817 1063078029 /nfs/dbraw/zinc/07/80/29/1063078029.db2.gz ANXMRCVFFLEIPP-INIZCTEOSA-N 1 0 319.876 4.267 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@H]4OCCC[C@H]4C3)CC2)cc1 ZINC001257017514 1063079867 /nfs/dbraw/zinc/07/98/67/1063079867.db2.gz VKJCUKKEPBSNOM-KWJLTHHISA-N 1 0 324.468 4.085 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC001257017240 1063080215 /nfs/dbraw/zinc/08/02/15/1063080215.db2.gz SGXOLHHHEIAFKV-CBNMVNINSA-N 1 0 324.468 4.087 20 30 DIEDRO C[C@]1(F)CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1F ZINC001257017682 1063082090 /nfs/dbraw/zinc/08/20/90/1063082090.db2.gz YHHSBSJGFRTXRQ-GMNCBBECSA-N 1 0 318.411 4.356 20 30 DIEDRO C[N@H+](Cc1cscn1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019304 1063084416 /nfs/dbraw/zinc/08/44/16/1063084416.db2.gz NIKWDZORRSSDST-UHFFFAOYSA-N 1 0 311.454 4.173 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@@]4(C3)CCCOC4)CC2)cc1 ZINC001257019171 1063084943 /nfs/dbraw/zinc/08/49/43/1063084943.db2.gz JTFHABIFHAQSKE-XVAXZDLZSA-N 1 0 324.468 4.087 20 30 DIEDRO Cc1cc2c(cn1)C[N@@H+](C1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001257018819 1063085517 /nfs/dbraw/zinc/08/55/17/1063085517.db2.gz FBWOKBRTHDZZOE-UHFFFAOYSA-N 1 0 317.436 4.304 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCc4ncsc4C3)CC2)cc1 ZINC001257018868 1063085953 /nfs/dbraw/zinc/08/59/53/1063085953.db2.gz GQLOINBQXOKCLW-UHFFFAOYSA-N 1 0 323.465 4.099 20 30 DIEDRO N#Cc1ccc(C2CCC([NH+]3CCC4(CCCO4)CC3)CC2)cc1 ZINC001257021624 1063086095 /nfs/dbraw/zinc/08/60/95/1063086095.db2.gz YMJSFRGDXRADPH-UHFFFAOYSA-N 1 0 324.468 4.229 20 30 DIEDRO C#CC[N@H+](C[C@@H]1CCC2(CCC2)O1)[C@H]1CCCc2ccccc21 ZINC001460839923 1063094283 /nfs/dbraw/zinc/09/42/83/1063094283.db2.gz XVLGHEZVUZBMBI-ICSRJNTNSA-N 1 0 309.453 4.101 20 30 DIEDRO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001257064730 1063099327 /nfs/dbraw/zinc/09/93/27/1063099327.db2.gz XAJDATQWTJZQOC-SJLPKXTDSA-N 1 0 320.477 4.047 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460886547 1063114329 /nfs/dbraw/zinc/11/43/29/1063114329.db2.gz NGAJJRGEDFZJKQ-SJORKVTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1)C(C)(C)C ZINC001257141961 1063121669 /nfs/dbraw/zinc/12/16/69/1063121669.db2.gz KSNYUSYOTJCOGD-HZPDHXFCSA-N 1 0 324.509 4.451 20 30 DIEDRO CCCCCCCC[N@@H+]1CCOc2cc(C(=O)OC)ccc2C1 ZINC001460929332 1063140358 /nfs/dbraw/zinc/14/03/58/1063140358.db2.gz JQRNGLVFDREPNR-UHFFFAOYSA-N 1 0 319.445 4.028 20 30 DIEDRO CC(C)C[C@@H](CNc1cccc(C#N)n1)[NH2+][C@H](C)c1ccccc1 ZINC001472693300 1063155044 /nfs/dbraw/zinc/15/50/44/1063155044.db2.gz ZKUKTPUTRFCHOZ-APWZRJJASA-N 1 0 322.456 4.131 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCCC23CCCCCC3)cc1 ZINC001460960300 1063159821 /nfs/dbraw/zinc/15/98/21/1063159821.db2.gz UQUAUXNQJNBAHL-IBGZPJMESA-N 1 0 312.457 4.171 20 30 DIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H](CC)CCC)CC2 ZINC001257255898 1063161574 /nfs/dbraw/zinc/16/15/74/1063161574.db2.gz BUJYKALOZORMSB-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(OCC)c(OCC)c2)C1 ZINC001460993875 1063172194 /nfs/dbraw/zinc/17/21/94/1063172194.db2.gz CIRHFOAJVWAKII-SJLPKXTDSA-N 1 0 317.473 4.361 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C(CCC)CCC)[C@H]2CC ZINC001257338355 1063217455 /nfs/dbraw/zinc/21/74/55/1063217455.db2.gz VFFLRXJYACLUNN-ICSRJNTNSA-N 1 0 320.521 4.377 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)C1 ZINC001461056893 1063221043 /nfs/dbraw/zinc/22/10/43/1063221043.db2.gz OGKTXCDRQYSNCR-GHTZIAJQSA-N 1 0 312.501 4.294 20 30 DIEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@@H](C)CCCCCC)C2)CC1 ZINC001257362503 1063231302 /nfs/dbraw/zinc/23/13/02/1063231302.db2.gz CVQYPBCIMUKDKM-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](CC)CCCC)[C@@H]2CC ZINC001257420345 1063264170 /nfs/dbraw/zinc/26/41/70/1063264170.db2.gz LCYXATAMWFPMHW-NSHGMRRFSA-N 1 0 320.521 4.377 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H](CC)CCCC)C2 ZINC001257418434 1063264699 /nfs/dbraw/zinc/26/46/99/1063264699.db2.gz CWHPOEPFOMVKAZ-GUDVDZBRSA-N 1 0 309.494 4.029 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H](CC)CCCC)CCO2 ZINC001257423339 1063270228 /nfs/dbraw/zinc/27/02/28/1063270228.db2.gz OYPWJKLVKNOFNO-CEXWTWQISA-N 1 0 309.494 4.029 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCCOc2ccc(C)cc2)c1 ZINC001461124565 1063275114 /nfs/dbraw/zinc/27/51/14/1063275114.db2.gz ZDVPRFWHCLBWPO-UHFFFAOYSA-N 1 0 311.425 4.119 20 30 DIEDRO CC[C@H](C)[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001257442274 1063277472 /nfs/dbraw/zinc/27/74/72/1063277472.db2.gz FSPSXSMDEWEDSG-ZDUSSCGKSA-N 1 0 321.262 4.105 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@@H](C)CC[C@H](C)CCC)CC2 ZINC001257477689 1063297689 /nfs/dbraw/zinc/29/76/89/1063297689.db2.gz KXIZIQDXAZVHPP-MSOLQXFVSA-N 1 0 320.521 4.234 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H](C)CCCCC)C2 ZINC001257509526 1063318949 /nfs/dbraw/zinc/31/89/49/1063318949.db2.gz HEGBDCIVNXWXEG-GUDVDZBRSA-N 1 0 309.494 4.029 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001257550437 1063332184 /nfs/dbraw/zinc/33/21/84/1063332184.db2.gz OFASUKUSVZVDKB-MJGOQNOKSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH+]1CCC(NC(N)=O)CC1 ZINC001257550199 1063333949 /nfs/dbraw/zinc/33/39/49/1063333949.db2.gz KWIHZMDEZKQYQP-MRXNPFEDSA-N 1 0 311.514 4.038 20 30 DIEDRO C=CC[N@@H+]([C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)(C)C ZINC001257593550 1063347825 /nfs/dbraw/zinc/34/78/25/1063347825.db2.gz VVCCCRRAMCZOBS-MUJYYYPQSA-N 1 0 324.509 4.449 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C(C)(C)c2ccc(CC)cc2)cc1 ZINC001461272803 1063380464 /nfs/dbraw/zinc/38/04/64/1063380464.db2.gz DBRWMJBUDWOSPQ-UHFFFAOYSA-N 1 0 307.437 4.286 20 30 DIEDRO C=CCC[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257765682 1063381364 /nfs/dbraw/zinc/38/13/64/1063381364.db2.gz RDUBWPUNPYKACT-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO CCOCCC1(C[NH2+]Cc2c(C)cc(C#N)cc2C)CCCC1 ZINC001461280901 1063386152 /nfs/dbraw/zinc/38/61/52/1063386152.db2.gz OEOGTZQAQFEPLX-UHFFFAOYSA-N 1 0 314.473 4.252 20 30 DIEDRO N#Cc1ccccc1C[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257822096 1063393188 /nfs/dbraw/zinc/39/31/88/1063393188.db2.gz SFEUJNHRCUHBQW-UHFFFAOYSA-N 1 0 320.436 4.176 20 30 DIEDRO Cc1cccc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC001473114650 1063415345 /nfs/dbraw/zinc/41/53/45/1063415345.db2.gz CCXXFBPNXBFJHR-UHFFFAOYSA-N 1 0 317.354 4.497 20 30 DIEDRO CC[N@H+](CCc1ccc(F)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001473116808 1063419588 /nfs/dbraw/zinc/41/95/88/1063419588.db2.gz CTZSNPHFKSMBTD-CQSZACIVSA-N 1 0 314.379 4.462 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](c3ccncc3OC)C3CC3)C[C@H](C1)C2 ZINC001257890175 1063428043 /nfs/dbraw/zinc/42/80/43/1063428043.db2.gz RSVLPKHDBLVLOQ-UCXPIWDSSA-N 1 0 312.457 4.266 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](c3cncc(F)c3)C3CC3)C[C@H](C1)C2 ZINC001257890674 1063428191 /nfs/dbraw/zinc/42/81/91/1063428191.db2.gz UXNZARPSZDAVPG-BJFKFPEYSA-N 1 0 300.421 4.396 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H](O)c3cc4ccccc4o3)C[C@H](C1)C2 ZINC001257890524 1063428241 /nfs/dbraw/zinc/42/82/41/1063428241.db2.gz XSINPFOKUBNQMS-HLVPYZJISA-N 1 0 311.425 4.191 20 30 DIEDRO C=C1C[C@@H]2CC([N@H+](C)CCCC(=O)c3cccnc3)C[C@H](C1)C2 ZINC001257895301 1063430740 /nfs/dbraw/zinc/43/07/40/1063430740.db2.gz PKUFSMDBHPKIDJ-JJTKIYQPSA-N 1 0 312.457 4.111 20 30 DIEDRO C=C1C[C@@H]2CC([N@H+]3CC[C@H](N4CCCCC4)[C@@H](F)C3)C[C@H](C1)C2 ZINC001257894443 1063431235 /nfs/dbraw/zinc/43/12/35/1063431235.db2.gz VFEPSAKIXZNZQL-VYFYYAICSA-N 1 0 320.496 4.020 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC2(Cc3ccccc3)CC2)cc1 ZINC001461359596 1063441777 /nfs/dbraw/zinc/44/17/77/1063441777.db2.gz JXKVHCXJUMCJNX-UHFFFAOYSA-N 1 0 319.448 4.201 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC001473136819 1063443657 /nfs/dbraw/zinc/44/36/57/1063443657.db2.gz KHPJKDISTAUWJO-OAQYLSRUSA-N 1 0 309.453 4.068 20 30 DIEDRO CCC#C[C@@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC001473139266 1063447105 /nfs/dbraw/zinc/44/71/05/1063447105.db2.gz RKORPVLLCRZRCP-OAHLLOKOSA-N 1 0 314.404 4.147 20 30 DIEDRO [NH2+]=C(NC1CCC(c2ccccc2)CC1)c1ccc(Cl)cn1 ZINC001257993565 1063451722 /nfs/dbraw/zinc/45/17/22/1063451722.db2.gz RZBIBJLXFCVQPQ-UHFFFAOYSA-N 1 0 313.832 4.167 20 30 DIEDRO C#CCOCC[N@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC001473147210 1063453358 /nfs/dbraw/zinc/45/33/58/1063453358.db2.gz DQMYGMPBEFOFNZ-UHFFFAOYSA-N 1 0 307.437 4.234 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC001258004122 1063458737 /nfs/dbraw/zinc/45/87/37/1063458737.db2.gz CJSLBQUQJYRNIM-QGZVFWFLSA-N 1 0 316.489 4.022 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001461384953 1063464752 /nfs/dbraw/zinc/46/47/52/1063464752.db2.gz DGUWUVYYCOUIRG-YJBOKZPZSA-N 1 0 315.457 4.476 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2F)cc1 ZINC001461392009 1063468942 /nfs/dbraw/zinc/46/89/42/1063468942.db2.gz PNNOUHLHDQZEEI-CYBMUJFWSA-N 1 0 317.791 4.342 20 30 DIEDRO CCCCCCC[C@H](C)N[C@@H](CCSC)C(=O)OC(C)C ZINC001258041170 1063472114 /nfs/dbraw/zinc/47/21/14/1063472114.db2.gz OCTPSIDMSLSJBS-HOTGVXAUSA-N 1 0 317.539 4.398 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](CC(=O)OC)c1cccc(O)c1 ZINC001258041111 1063472407 /nfs/dbraw/zinc/47/24/07/1063472407.db2.gz MPDXTYKJHKROOW-YJBOKZPZSA-N 1 0 321.461 4.335 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1CCC2(CCC(=O)N2)CC1 ZINC001258039809 1063472758 /nfs/dbraw/zinc/47/27/58/1063472758.db2.gz YJVSMQWUVODPEI-LRYGQEGESA-N 1 0 308.510 4.164 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC001258039218 1063472810 /nfs/dbraw/zinc/47/28/10/1063472810.db2.gz MEHSFHDWOCBGIQ-OAHLLOKOSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001258040542 1063473110 /nfs/dbraw/zinc/47/31/10/1063473110.db2.gz FSGCIIAKLYQFFI-PKOBYXMFSA-N 1 0 316.489 4.240 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001258042077 1063475457 /nfs/dbraw/zinc/47/54/57/1063475457.db2.gz GKPJHAPGPALJQW-AEFFLSMTSA-N 1 0 318.505 4.064 20 30 DIEDRO CCCCCCC[C@H](C)n1nc(C[NH3+])c2cc(OC)ccc21 ZINC001258043067 1063475641 /nfs/dbraw/zinc/47/56/41/1063475641.db2.gz IMASGZJGROZCCL-AWEZNQCLSA-N 1 0 303.450 4.425 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001258045340 1063479272 /nfs/dbraw/zinc/47/92/72/1063479272.db2.gz ZJSKDYHORJBHGY-SJLPKXTDSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](CO)c1cccc(COC)c1 ZINC001258044124 1063479428 /nfs/dbraw/zinc/47/94/28/1063479428.db2.gz XWLIBBNZOIHQIK-VQIMIIECSA-N 1 0 307.478 4.205 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC001258046900 1063479447 /nfs/dbraw/zinc/47/94/47/1063479447.db2.gz FRWLYNGWNVPOSV-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001258048248 1063480956 /nfs/dbraw/zinc/48/09/56/1063480956.db2.gz RWCKRVKEYSZVRO-IEBWSBKVSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]CCCc1c[nH][nH]c1=O ZINC001258053268 1063484164 /nfs/dbraw/zinc/48/41/64/1063484164.db2.gz XWQMZKZHGBWLHC-ZWKOTPCHSA-N 1 0 323.525 4.397 20 30 DIEDRO CCCCCCCCCCC[C@H](C)[NH2+]CC1(O)CCOCC1 ZINC001258051202 1063484608 /nfs/dbraw/zinc/48/46/08/1063484608.db2.gz CFJHIFKMXSXEPD-SFHVURJKSA-N 1 0 313.526 4.427 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]C1(CO)CCOCC1 ZINC001258053179 1063486001 /nfs/dbraw/zinc/48/60/01/1063486001.db2.gz XDANDWXIIXDZHT-GOSISDBHSA-N 1 0 313.526 4.427 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1CCC(=O)NC1 ZINC001258052266 1063486097 /nfs/dbraw/zinc/48/60/97/1063486097.db2.gz NNMFQONOFLNJCP-QZTJIDSGSA-N 1 0 310.526 4.412 20 30 DIEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC001473178727 1063487076 /nfs/dbraw/zinc/48/70/76/1063487076.db2.gz CKGYJMHJUIGLNI-HOTGVXAUSA-N 1 0 319.876 4.405 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)C[C@H](C)CC(C)C)C2 ZINC001258069425 1063497157 /nfs/dbraw/zinc/49/71/57/1063497157.db2.gz HYTVHYDCQNJVLP-FUMNGEBKSA-N 1 0 323.521 4.273 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001473188493 1063497647 /nfs/dbraw/zinc/49/76/47/1063497647.db2.gz AKRRBDLZOFJWHA-RBUKOAKNSA-N 1 0 307.453 4.042 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H](C)CCC=C(C)C)C2 ZINC001258089524 1063512645 /nfs/dbraw/zinc/51/26/45/1063512645.db2.gz UDRQESCGSODPNC-UYAOXDASSA-N 1 0 318.505 4.154 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H](C)CCC=C(C)C)C2 ZINC001258089511 1063512683 /nfs/dbraw/zinc/51/26/83/1063512683.db2.gz UDRQESCGSODPNC-ICSRJNTNSA-N 1 0 318.505 4.154 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H](C)CCC=C(C)C)CCO2 ZINC001258095015 1063519580 /nfs/dbraw/zinc/51/95/80/1063519580.db2.gz WWBKKBMXVXXFAN-XUVXKRRUSA-N 1 0 321.505 4.195 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CCCC(=O)OCC ZINC001258113701 1063525044 /nfs/dbraw/zinc/52/50/44/1063525044.db2.gz ZLYATHDOVTWVOG-HZPDHXFCSA-N 1 0 319.445 4.024 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H](C)CCCC(=O)OCC ZINC001258127479 1063527298 /nfs/dbraw/zinc/52/72/98/1063527298.db2.gz RXSYSPVZWLSOQF-KRWDZBQOSA-N 1 0 303.446 4.187 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)cs1 ZINC001461486213 1063531359 /nfs/dbraw/zinc/53/13/59/1063531359.db2.gz QNLDDVSQHNBBHL-GDBMZVCRSA-N 1 0 300.402 4.185 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001461490820 1063535149 /nfs/dbraw/zinc/53/51/49/1063535149.db2.gz HWSGIJVPKZFTMU-UHFFFAOYSA-N 1 0 314.473 4.149 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3scnc3c2)cc1 ZINC001461492006 1063537514 /nfs/dbraw/zinc/53/75/14/1063537514.db2.gz DIGUKDJRMLNZEN-UHFFFAOYSA-N 1 0 310.422 4.151 20 30 DIEDRO C[C@H]1CC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)C1 ZINC001258160662 1063537876 /nfs/dbraw/zinc/53/78/76/1063537876.db2.gz NXHGHIGGIZECAM-VXGBXAGGSA-N 1 0 310.363 4.491 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CCCC1 ZINC001461500458 1063540638 /nfs/dbraw/zinc/54/06/38/1063540638.db2.gz MRRRBDQPUCYWGU-IBGZPJMESA-N 1 0 315.457 4.080 20 30 DIEDRO C[C@H]1CC([NH+]2CCC(Oc3ccccc3C#N)CC2)C[C@H](C)C1 ZINC001258167383 1063540775 /nfs/dbraw/zinc/54/07/75/1063540775.db2.gz IQRMIWFMIXUQOL-HZPDHXFCSA-N 1 0 312.457 4.226 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2c(Cl)ccc3cccnc32)cc1 ZINC001461513116 1063548653 /nfs/dbraw/zinc/54/86/53/1063548653.db2.gz JFYLHGJOQSFWGX-UHFFFAOYSA-N 1 0 306.796 4.159 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC001461526904 1063559356 /nfs/dbraw/zinc/55/93/56/1063559356.db2.gz IPILQBORUIUJQP-INIZCTEOSA-N 1 0 311.450 4.231 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001258229658 1063568131 /nfs/dbraw/zinc/56/81/31/1063568131.db2.gz TXLXNMXARSBGJM-HOTGVXAUSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001258228121 1063568615 /nfs/dbraw/zinc/56/86/15/1063568615.db2.gz DJKQSGOBAUKRRG-WMZOPIPTSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCCC[C@H](C)n1cc(C(=O)OCC)c(C[NH3+])n1 ZINC001258228650 1063568771 /nfs/dbraw/zinc/56/87/71/1063568771.db2.gz JDGUYFPVEXRBOD-HNNXBMFYSA-N 1 0 323.481 4.220 20 30 DIEDRO C=CCOc1ccc(CNc2cc3c(c[nH+]2)CCCC3)cc1OC ZINC001461540778 1063569225 /nfs/dbraw/zinc/56/92/25/1063569225.db2.gz OOJDEHVGDSXIBK-UHFFFAOYSA-N 1 0 324.424 4.146 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001258232113 1063570549 /nfs/dbraw/zinc/57/05/49/1063570549.db2.gz YSFVUVAZQUDOEH-INIZCTEOSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC001258232241 1063570694 /nfs/dbraw/zinc/57/06/94/1063570694.db2.gz GAUQGAFMGSQWLA-SFHVURJKSA-N 1 0 311.510 4.397 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001258232203 1063571833 /nfs/dbraw/zinc/57/18/33/1063571833.db2.gz CDJBOHKAFJQXIC-DLBZAZTESA-N 1 0 317.539 4.025 20 30 DIEDRO CC1(C)CCC[C@@H](NCC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001258274952 1063582048 /nfs/dbraw/zinc/58/20/48/1063582048.db2.gz WDXUPRDSKKDEHZ-MRVPVSSYSA-N 1 0 309.269 4.378 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC001461570715 1063586572 /nfs/dbraw/zinc/58/65/72/1063586572.db2.gz LPRONOZVCFDEBL-FQEVSTJZSA-N 1 0 317.436 4.149 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001461572076 1063587421 /nfs/dbraw/zinc/58/74/21/1063587421.db2.gz ZYBRWOBMZLFJTO-GOSISDBHSA-N 1 0 312.432 4.169 20 30 DIEDRO C[C@H](CC(C)(C)SCc1ccco1)[NH+]1CCC(C#N)CC1 ZINC001258303779 1063600912 /nfs/dbraw/zinc/60/09/12/1063600912.db2.gz CPRGRPGZHMLUEK-CQSZACIVSA-N 1 0 306.475 4.306 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258314303 1063606509 /nfs/dbraw/zinc/60/65/09/1063606509.db2.gz RXRADNDYQZNPMO-JKSUJKDBSA-N 1 0 305.487 4.415 20 30 DIEDRO C#CC1CC[NH+]([C@@H](C)CC(C)(C)SCc2ccco2)CC1 ZINC001258316049 1063608743 /nfs/dbraw/zinc/60/87/43/1063608743.db2.gz FAKBLHONLCIPTG-HNNXBMFYSA-N 1 0 305.487 4.415 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2C[C@H](C)C[C@H](C)C2)cc(OC)c1O ZINC001461622092 1063618880 /nfs/dbraw/zinc/61/88/80/1063618880.db2.gz SUWPKAZBMGMXTB-ZSHCYNCHSA-N 1 0 317.473 4.291 20 30 DIEDRO COc1cccc2c(C[NH2+]CCc3ccc(C#N)cc3)cccc12 ZINC001461636281 1063628588 /nfs/dbraw/zinc/62/85/88/1063628588.db2.gz ZQGVZLWJOFOCNU-UHFFFAOYSA-N 1 0 316.404 4.052 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001461653578 1063639286 /nfs/dbraw/zinc/63/92/86/1063639286.db2.gz AZTWGNBJGSCJEF-UHFFFAOYSA-N 1 0 317.864 4.277 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC001461675106 1063651614 /nfs/dbraw/zinc/65/16/14/1063651614.db2.gz IVCBKNZJVCOQMY-UHFFFAOYSA-N 1 0 306.406 4.076 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC001461677784 1063653193 /nfs/dbraw/zinc/65/31/93/1063653193.db2.gz WVSNEHIZMGECLE-UHFFFAOYSA-N 1 0 316.489 4.246 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC001461677875 1063653475 /nfs/dbraw/zinc/65/34/75/1063653475.db2.gz ZDBSUSKRZDLOSB-AWEZNQCLSA-N 1 0 303.446 4.101 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@H](CC)CCCCC)CCC2 ZINC001258439624 1063653735 /nfs/dbraw/zinc/65/37/35/1063653735.db2.gz JSLHSHDGAQGSKG-QGZVFWFLSA-N 1 0 319.493 4.150 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](C)[C@@]23C[C@@H]2CCCC3)cc(OC)c1O ZINC001461680683 1063655245 /nfs/dbraw/zinc/65/52/45/1063655245.db2.gz AWJBJKFKDUMRMQ-CFLQYTFWSA-N 1 0 315.457 4.188 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC001461733192 1063686724 /nfs/dbraw/zinc/68/67/24/1063686724.db2.gz CAVOUAWQLCJSMZ-UHFFFAOYSA-N 1 0 301.434 4.071 20 30 DIEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC(CCC)CC1)C2 ZINC001258533307 1063687540 /nfs/dbraw/zinc/68/75/40/1063687540.db2.gz VQZJJVDPWFQQOB-NTFDOXNWSA-N 1 0 321.505 4.171 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC(CCC)CC1)C2 ZINC001258533305 1063687965 /nfs/dbraw/zinc/68/79/65/1063687965.db2.gz VQZJJVDPWFQQOB-GHBBCFCZSA-N 1 0 321.505 4.171 20 30 DIEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC(CCC)CC1)C2 ZINC001258533308 1063688056 /nfs/dbraw/zinc/68/80/56/1063688056.db2.gz VQZJJVDPWFQQOB-TUNPWDSISA-N 1 0 321.505 4.171 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC(CCC)CC1)C2 ZINC001258533306 1063688077 /nfs/dbraw/zinc/68/80/77/1063688077.db2.gz VQZJJVDPWFQQOB-GUMHCPJTSA-N 1 0 321.505 4.171 20 30 DIEDRO C=CC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001461809739 1063729342 /nfs/dbraw/zinc/72/93/42/1063729342.db2.gz GOEBAAWGEXMUNC-UHFFFAOYSA-N 1 0 306.409 4.191 20 30 DIEDRO C[C@@H]1C[C@H](NC(=[NH2+])c2ccc3cc(O)ccc3c2)CC(C)(C)C1 ZINC001258691158 1063754101 /nfs/dbraw/zinc/75/41/01/1063754101.db2.gz YQWDMNAXHXXUMX-DYVFJYSZSA-N 1 0 310.441 4.466 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001461862320 1063756488 /nfs/dbraw/zinc/75/64/88/1063756488.db2.gz CBTKHMUKBKIBRR-QHCPKHFHSA-N 1 0 315.460 4.408 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCc2ccccc21 ZINC001461870409 1063760532 /nfs/dbraw/zinc/76/05/32/1063760532.db2.gz HHLAECGFUVYAGD-IBGZPJMESA-N 1 0 307.437 4.413 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCN(CCF)CC1 ZINC001258713947 1063770124 /nfs/dbraw/zinc/77/01/24/1063770124.db2.gz DOJKRZVZVFJNBF-GOSISDBHSA-N 1 0 300.506 4.349 20 30 DIEDRO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC001461878976 1063770309 /nfs/dbraw/zinc/77/03/09/1063770309.db2.gz BWBGDMGUCDOVKB-ROUUACIJSA-N 1 0 318.436 4.113 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001258713558 1063770480 /nfs/dbraw/zinc/77/04/80/1063770480.db2.gz ATGFOIFRJCOGDU-GOSISDBHSA-N 1 0 306.494 4.250 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)N1CCn2c(CC)nnc2C1 ZINC001258714916 1063773145 /nfs/dbraw/zinc/77/31/45/1063773145.db2.gz XJJSFSSXVUQBMA-QGZVFWFLSA-N 1 0 320.525 4.431 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@H](O)c1ccccn1 ZINC001258716106 1063773455 /nfs/dbraw/zinc/77/34/55/1063773455.db2.gz SBHOFAVVVZMWTI-PKOBYXMFSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1CCCN(C(C)=O)C1 ZINC001258716252 1063773537 /nfs/dbraw/zinc/77/35/37/1063773537.db2.gz WCWPBMAPLCKRPV-OALUTQOASA-N 1 0 310.526 4.362 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CC1 ZINC001258718575 1063774464 /nfs/dbraw/zinc/77/44/64/1063774464.db2.gz QZZVCBBETOAJSC-OAGGEKHMSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(-c2ccnc(F)c2)c(F)c1 ZINC001258718974 1063774596 /nfs/dbraw/zinc/77/45/96/1063774596.db2.gz ZGEFSKFNAYPSGF-ZDUSSCGKSA-N 1 0 302.368 4.471 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1c(F)c(F)cc(Br)c1F ZINC001258717671 1063774671 /nfs/dbraw/zinc/77/46/71/1063774671.db2.gz WSYGFBIYIYJCBD-QMMMGPOBSA-N 1 0 322.168 4.311 20 30 DIEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001258720095 1063775574 /nfs/dbraw/zinc/77/55/74/1063775574.db2.gz REPOWJXJXCALMY-JKSUJKDBSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(N2CCCCCC2=O)c1 ZINC001258723590 1063776222 /nfs/dbraw/zinc/77/62/22/1063776222.db2.gz ZKDNWUGHAZEZEC-INIZCTEOSA-N 1 0 300.446 4.038 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CCOCC1 ZINC001258723735 1063776682 /nfs/dbraw/zinc/77/66/82/1063776682.db2.gz DCCAWJSLKRGUAU-HNNXBMFYSA-N 1 0 307.865 4.376 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001258720979 1063776721 /nfs/dbraw/zinc/77/67/21/1063776721.db2.gz KGWQQRDVCGNSOD-CABCVRRESA-N 1 0 323.440 4.048 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@]1(CCC)CCN1C(=O)OC(C)(C)C ZINC001258723641 1063776829 /nfs/dbraw/zinc/77/68/29/1063776829.db2.gz BELMAWMAMSYNJU-QAPCUYQASA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2ccc(C)cc2F)CC1 ZINC001258722118 1063777561 /nfs/dbraw/zinc/77/75/61/1063777561.db2.gz CMKMCZRXHBEURM-MRXNPFEDSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC1(Cc2cccc(F)c2)CCOCC1 ZINC001258724038 1063778095 /nfs/dbraw/zinc/77/80/95/1063778095.db2.gz LPRPSWGPVVJNDT-MRXNPFEDSA-N 1 0 305.437 4.109 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(OCC2CCOCC2)c(F)c1 ZINC001258724125 1063778633 /nfs/dbraw/zinc/77/86/33/1063778633.db2.gz NQSZNYAHMPDNQB-HNNXBMFYSA-N 1 0 321.436 4.075 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258726823 1063779542 /nfs/dbraw/zinc/77/95/42/1063779542.db2.gz XJTGRMMLKGFZGR-QFBILLFUSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001258732104 1063781682 /nfs/dbraw/zinc/78/16/82/1063781682.db2.gz JBPBQQBIVKPHSN-CQSZACIVSA-N 1 0 318.848 4.410 20 30 DIEDRO C=CCC[C@@H](C)[N@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001258733988 1063783390 /nfs/dbraw/zinc/78/33/90/1063783390.db2.gz PWTSROLHLPZABZ-BZUAXINKSA-N 1 0 310.482 4.109 20 30 DIEDRO C=CCC[C@@H](C)[N@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001258733569 1063783522 /nfs/dbraw/zinc/78/35/22/1063783522.db2.gz IXNKWQMIFVJMTK-OAHLLOKOSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[C@H](C)[N@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001258733568 1063783671 /nfs/dbraw/zinc/78/36/71/1063783671.db2.gz IXNKWQMIFVJMTK-HNNXBMFYSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(c2ccc(C(=O)OC)cc2)CC1 ZINC001258733432 1063783702 /nfs/dbraw/zinc/78/37/02/1063783702.db2.gz DPUHFDTYIFTRIH-HNNXBMFYSA-N 1 0 301.430 4.007 20 30 DIEDRO C=CCC[C@H](C)[N@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001258736251 1063784150 /nfs/dbraw/zinc/78/41/50/1063784150.db2.gz PIXVROZFJFERNO-INIZCTEOSA-N 1 0 304.453 4.077 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(N(C)Cc2cccc(F)c2)CC1 ZINC001258734296 1063784422 /nfs/dbraw/zinc/78/44/22/1063784422.db2.gz WFOOJAFTBXBLRM-INIZCTEOSA-N 1 0 304.453 4.077 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C)(c3ccccc3)CC2)ccc1C#N ZINC001461901388 1063784958 /nfs/dbraw/zinc/78/49/58/1063784958.db2.gz WYXWWOLUIFMTBY-UHFFFAOYSA-N 1 0 304.437 4.420 20 30 DIEDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001258739676 1063789566 /nfs/dbraw/zinc/78/95/66/1063789566.db2.gz HECORMGWYCLXEQ-NNGSBXSVSA-N 1 0 302.849 4.477 20 30 DIEDRO C[C@@H](Cc1cccc(Cl)c1)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001258742807 1063792660 /nfs/dbraw/zinc/79/26/60/1063792660.db2.gz ULHIFCDQBBRVJH-ZDUSSCGKSA-N 1 0 323.827 4.225 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@@H](C)Cc2cccc(Cl)c2)cc1C ZINC001258744822 1063794874 /nfs/dbraw/zinc/79/48/74/1063794874.db2.gz UQFDHGYMYPYFMR-AWEZNQCLSA-N 1 0 300.833 4.293 20 30 DIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H](CCC)CCCC)C2 ZINC001258759979 1063804930 /nfs/dbraw/zinc/80/49/30/1063804930.db2.gz GRAPOIQNBHAPTH-ICSRJNTNSA-N 1 0 320.521 4.378 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC001461950177 1063835080 /nfs/dbraw/zinc/83/50/80/1063835080.db2.gz SLVYAWLAFCHNDD-VQTJNVASSA-N 1 0 314.473 4.223 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001258830333 1063854716 /nfs/dbraw/zinc/85/47/16/1063854716.db2.gz NAHCNCCVTHWLBK-CVEARBPZSA-N 1 0 300.421 4.262 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1F)CC1CCCCC1 ZINC001461986261 1063858926 /nfs/dbraw/zinc/85/89/26/1063858926.db2.gz CXSBXCSUAFZSPS-UHFFFAOYSA-N 1 0 321.436 4.411 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001461995813 1063865681 /nfs/dbraw/zinc/86/56/81/1063865681.db2.gz QUTAIPUWQOATHU-RLFYNMQTSA-N 1 0 317.860 4.363 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc(OCC2CC2)cc1 ZINC001461995716 1063867364 /nfs/dbraw/zinc/86/73/64/1063867364.db2.gz CPOQNBGWMOVYTR-UHFFFAOYSA-N 1 0 311.425 4.299 20 30 DIEDRO COc1ccccc1C[C@H](C)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001258882492 1063869339 /nfs/dbraw/zinc/86/93/39/1063869339.db2.gz XMOHCOPZFFNNHE-HRAATJIYSA-N 1 0 322.452 4.485 20 30 DIEDRO CCCCOc1ccccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001462016910 1063880708 /nfs/dbraw/zinc/88/07/08/1063880708.db2.gz CGAQJOMXEIDRND-UHFFFAOYSA-N 1 0 308.425 4.369 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc2n[nH]cc21 ZINC001462019603 1063883104 /nfs/dbraw/zinc/88/31/04/1063883104.db2.gz KFWHJJVSJVJTLW-UHFFFAOYSA-N 1 0 317.845 4.466 20 30 DIEDRO CC(C)CCC[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001462085533 1063921397 /nfs/dbraw/zinc/92/13/97/1063921397.db2.gz OIJBLMDUUJKYIO-INIZCTEOSA-N 1 0 324.472 4.263 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC001462101611 1063929071 /nfs/dbraw/zinc/92/90/71/1063929071.db2.gz DJFRUCWTCKEFTR-HLNWXESRSA-N 1 0 300.490 4.321 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC001462101613 1063929757 /nfs/dbraw/zinc/92/97/57/1063929757.db2.gz DJFRUCWTCKEFTR-XSYGEPLQSA-N 1 0 300.490 4.321 20 30 DIEDRO C[C@@H](C[NH2+]CC#Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC001462106516 1063933044 /nfs/dbraw/zinc/93/30/44/1063933044.db2.gz RIDNUGQKZKDIIC-HNNXBMFYSA-N 1 0 317.354 4.450 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C[C@@H]3CCCCC3(F)F)CCC2)cc1 ZINC000594034953 1064100413 /nfs/dbraw/zinc/10/04/13/1064100413.db2.gz GUVCHZVXNGZERN-INIZCTEOSA-N 1 0 304.384 4.353 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cc(F)ccc1Br ZINC000701918419 1064272010 /nfs/dbraw/zinc/27/20/10/1064272010.db2.gz FYDDFTPEWBAPFH-UHFFFAOYSA-N 1 0 300.215 4.280 20 30 DIEDRO C=CCCCCCCC[NH+]1CC2(C1)CCN(Cc1ccc[nH]1)C2 ZINC001279271276 1064338529 /nfs/dbraw/zinc/33/85/29/1064338529.db2.gz JYFADXXBFDEEJA-UHFFFAOYSA-N 1 0 315.505 4.049 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001279271318 1064339406 /nfs/dbraw/zinc/33/94/06/1064339406.db2.gz HPLGNGCQARBYHI-JKSUJKDBSA-N 1 0 318.427 4.081 20 30 DIEDRO C#CCCC[NH2+]C12CC(C(=O)Nc3ccc([C@H](C)CC)cc3)(C1)C2 ZINC001279749556 1064367298 /nfs/dbraw/zinc/36/72/98/1064367298.db2.gz DWLKPIHYJZOOAU-YMTQGWHGSA-N 1 0 324.468 4.064 20 30 DIEDRO C=CC1(CC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCCCC1 ZINC001291552592 1064735521 /nfs/dbraw/zinc/73/55/21/1064735521.db2.gz RFSNRRJCBFZUMD-GOSISDBHSA-N 1 0 320.521 4.284 20 30 DIEDRO CCCCCCCCCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001291562143 1064737067 /nfs/dbraw/zinc/73/70/67/1064737067.db2.gz YVOQSSPHXIOZFX-MSOLQXFVSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC001295758841 1064926332 /nfs/dbraw/zinc/92/63/32/1064926332.db2.gz YENFTYAWUTVOOO-QZTJIDSGSA-N 1 0 310.526 4.458 20 30 DIEDRO C=CC1(CC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001301038349 1065049730 /nfs/dbraw/zinc/04/97/30/1065049730.db2.gz KTBKMOLEQRZEDL-QGZVFWFLSA-N 1 0 318.505 4.036 20 30 DIEDRO Cc1cc(F)c(C#N)c(SCC[N@@H+](C)Cc2ccccc2)c1 ZINC001307107034 1065266093 /nfs/dbraw/zinc/26/60/93/1065266093.db2.gz KIJSHJGWLLJUIH-UHFFFAOYSA-N 1 0 314.429 4.230 20 30 DIEDRO CC[NH+](CC)CC[C@H](Nc1cc(C)c(C#N)cn1)c1ccccc1 ZINC001307233266 1065309963 /nfs/dbraw/zinc/30/99/63/1065309963.db2.gz ZMQQGWIDUMCEQJ-IBGZPJMESA-N 1 0 322.456 4.147 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001307421061 1065384097 /nfs/dbraw/zinc/38/40/97/1065384097.db2.gz ADEAOYDGCADICW-KRWDZBQOSA-N 1 0 313.401 4.011 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC001307422122 1065384280 /nfs/dbraw/zinc/38/42/80/1065384280.db2.gz NZLZHPNXINZOTG-HXUWFJFHSA-N 1 0 312.457 4.372 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](OC)c1ccccc1 ZINC001307424234 1065384454 /nfs/dbraw/zinc/38/44/54/1065384454.db2.gz SPSFOOAUHXVJPX-FQEVSTJZSA-N 1 0 311.425 4.071 20 30 DIEDRO CCN(C[C@@H]1CCCC[N@@H+]1C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC001307425214 1065386049 /nfs/dbraw/zinc/38/60/49/1065386049.db2.gz AHQIARVVPAVZGW-XLIONFOSSA-N 1 0 313.489 4.204 20 30 DIEDRO C#CC[N@@H+](C[C@@H]1CCCCC1(F)F)[C@H]1CCc2ccccc21 ZINC001307428406 1065387953 /nfs/dbraw/zinc/38/79/53/1065387953.db2.gz CYYYJDMZCSAMNH-WMZOPIPTSA-N 1 0 303.396 4.435 20 30 DIEDRO C#CC[N@@H+](Cc1c(C)cc(C)nc1C)[C@@H]1CCc2ccccc21 ZINC001307430676 1065390360 /nfs/dbraw/zinc/39/03/60/1065390360.db2.gz IDHOGCWEHORMHW-OAQYLSRUSA-N 1 0 304.437 4.130 20 30 DIEDRO C#CC[N@@H+](CCc1ccc(CC)cc1)[C@H]1CCc2ccccc21 ZINC001307430002 1065390518 /nfs/dbraw/zinc/39/05/18/1065390518.db2.gz RXYQHWBBNMZRSE-QFIPXVFZSA-N 1 0 303.449 4.414 20 30 DIEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001307434755 1065395040 /nfs/dbraw/zinc/39/50/40/1065395040.db2.gz YLTNMHSNTPHYMP-SWLSCSKDSA-N 1 0 308.372 4.170 20 30 DIEDRO CCC(CC)[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC001307447296 1065406917 /nfs/dbraw/zinc/40/69/17/1065406917.db2.gz OTUVMPJLRMVWLA-UHFFFAOYSA-N 1 0 308.372 4.313 20 30 DIEDRO C#CCCCCCC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001307466317 1065417574 /nfs/dbraw/zinc/41/75/74/1065417574.db2.gz NLMAAWVTLWBIQA-FQEVSTJZSA-N 1 0 317.448 4.155 20 30 DIEDRO C=CC[N@@H+](CCOc1ccccc1OC)CC1CCCCC1 ZINC001307471001 1065419077 /nfs/dbraw/zinc/41/90/77/1065419077.db2.gz NKWAUZHSYQLKNQ-UHFFFAOYSA-N 1 0 303.446 4.142 20 30 DIEDRO CCC[N@H+](CCCCC1(C#N)CCC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001307486282 1065430656 /nfs/dbraw/zinc/43/06/56/1065430656.db2.gz DTZIZRFHUCRBFL-KZNAEPCWSA-N 1 0 318.505 4.376 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccc1CF ZINC001307487139 1065431576 /nfs/dbraw/zinc/43/15/76/1065431576.db2.gz NLWFDUVTSGFUFG-UXHICEINSA-N 1 0 308.400 4.428 20 30 DIEDRO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2Cc2cc(C#N)ccn2)cc1 ZINC001307487416 1065432563 /nfs/dbraw/zinc/43/25/63/1065432563.db2.gz BNTOGUALFYLBGR-OXQOHEQNSA-N 1 0 305.425 4.235 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC001307486928 1065432894 /nfs/dbraw/zinc/43/28/94/1065432894.db2.gz ZVSISUYLOOXOEW-KRWDZBQOSA-N 1 0 302.462 4.309 20 30 DIEDRO CC[C@]1(C)CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001307494303 1065437107 /nfs/dbraw/zinc/43/71/07/1065437107.db2.gz SFDCHSCBJCRSHG-MRXNPFEDSA-N 1 0 321.262 4.333 20 30 DIEDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCOc2cccc(C#N)c2)o1 ZINC001307497188 1065442516 /nfs/dbraw/zinc/44/25/16/1065442516.db2.gz RANXCDQNLZIVNZ-DNVCBOLYSA-N 1 0 324.424 4.312 20 30 DIEDRO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC001307513647 1065453379 /nfs/dbraw/zinc/45/33/79/1065453379.db2.gz MSYVGOWZQXRRFM-LBPRGKRZSA-N 1 0 304.846 4.336 20 30 DIEDRO CCC(CC)C[N@H+](CCC#N)C[C@@H](C)c1ccc(OC)cc1 ZINC001307512795 1065453896 /nfs/dbraw/zinc/45/38/96/1065453896.db2.gz HPBLNTCXTPQYQN-MRXNPFEDSA-N 1 0 302.462 4.451 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(c2ccccc2O)CC1 ZINC001307526141 1065464502 /nfs/dbraw/zinc/46/45/02/1065464502.db2.gz HJFCGPZEDPCPGE-UHFFFAOYSA-N 1 0 304.478 4.265 20 30 DIEDRO COc1ccc(C[C@H]2CC[N@@H+]2Cc2c(C)cc(C#N)cc2C)cc1 ZINC001307525241 1065464749 /nfs/dbraw/zinc/46/47/49/1065464749.db2.gz CLYUPHCUCMBOQH-LJQANCHMSA-N 1 0 320.436 4.001 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1(CC)CC ZINC001307552197 1065478877 /nfs/dbraw/zinc/47/88/77/1065478877.db2.gz TUDYQYFMJNLESO-HOTGVXAUSA-N 1 0 306.475 4.035 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1(CC)CC ZINC001307552200 1065478986 /nfs/dbraw/zinc/47/89/86/1065478986.db2.gz TUDYQYFMJNLESO-JKSUJKDBSA-N 1 0 306.475 4.035 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCc2cccnc2)C(C)(C)C)cc1 ZINC001307569924 1065487260 /nfs/dbraw/zinc/48/72/60/1065487260.db2.gz CUYJCAMRMDZOOT-UHFFFAOYSA-N 1 0 324.468 4.490 20 30 DIEDRO N#Cc1cc(C[N@@H+](Cc2ccccc2F)C2CCC2)ccc1F ZINC001307579129 1065494479 /nfs/dbraw/zinc/49/44/79/1065494479.db2.gz ICCLJEADFKDHHT-UHFFFAOYSA-N 1 0 312.363 4.391 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC(C)(C)C1 ZINC001307607158 1065511051 /nfs/dbraw/zinc/51/10/51/1065511051.db2.gz ZZVBYCWGRQVSEN-GFCCVEGCSA-N 1 0 310.363 4.445 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC(C)(C)C1 ZINC001307606757 1065511178 /nfs/dbraw/zinc/51/11/78/1065511178.db2.gz PUDDCFNJZGQNKY-GFCCVEGCSA-N 1 0 308.372 4.028 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1F ZINC001307608308 1065511814 /nfs/dbraw/zinc/51/18/14/1065511814.db2.gz JJIZCHKMYKVIJV-MGPUTAFESA-N 1 0 308.400 4.405 20 30 DIEDRO C#CCCCCCC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC001307609539 1065514124 /nfs/dbraw/zinc/51/41/24/1065514124.db2.gz YRKYEAPENJVOAO-UHFFFAOYSA-N 1 0 317.498 4.196 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1Cc2cc(OC)ccc2O1)c1ccccc1 ZINC001307627325 1065525959 /nfs/dbraw/zinc/52/59/59/1065525959.db2.gz SWOWVCVAEDIKNO-UXHICEINSA-N 1 0 323.436 4.296 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)c1ccccc1 ZINC001307626512 1065526976 /nfs/dbraw/zinc/52/69/76/1065526976.db2.gz LAKJQULMVWDTAS-QMMLZNLJSA-N 1 0 309.453 4.448 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C=C(C)C[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1 ZINC001307742345 1065599309 /nfs/dbraw/zinc/59/93/09/1065599309.db2.gz PSTJLJPWNPFULM-UHFFFAOYSA-N 1 0 308.425 4.094 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001307742640 1065599807 /nfs/dbraw/zinc/59/98/07/1065599807.db2.gz REGCGAXQAWWIAE-GBESFXJTSA-N 1 0 311.510 4.395 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2C)C12CCCCC2 ZINC001307743393 1065601502 /nfs/dbraw/zinc/60/15/02/1065601502.db2.gz GHKCSGMSELUIIJ-OALUTQOASA-N 1 0 312.457 4.084 20 30 DIEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C#N)cc1Br ZINC001307751018 1065604868 /nfs/dbraw/zinc/60/48/68/1065604868.db2.gz AZDYCLVOSZYCQW-RYUDHWBXSA-N 1 0 321.262 4.235 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](CCOc1ccccc1C#N)C1CC1 ZINC001307757751 1065607526 /nfs/dbraw/zinc/60/75/26/1065607526.db2.gz MMSOXVMBBAOIEJ-MRXNPFEDSA-N 1 0 306.409 4.163 20 30 DIEDRO CCCCCCCCCC[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC001307760375 1065609571 /nfs/dbraw/zinc/60/95/71/1065609571.db2.gz 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DIEDRO N#CC(CC[N@@H+]1CC[C@@H]2C[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC001307950083 1065694733 /nfs/dbraw/zinc/69/47/33/1065694733.db2.gz AECGQFCEHXMCTK-RTBURBONSA-N 1 0 316.448 4.228 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001307949286 1065695208 /nfs/dbraw/zinc/69/52/08/1065695208.db2.gz CFFCUUNDKWBQOG-ZENOOKHLSA-N 1 0 312.240 4.210 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2CC2CCC2)cc1 ZINC001307950903 1065697332 /nfs/dbraw/zinc/69/73/32/1065697332.db2.gz ABQQNGACQFUXCX-LJQANCHMSA-N 1 0 312.457 4.372 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001307954683 1065700174 /nfs/dbraw/zinc/70/01/74/1065700174.db2.gz NRPKTOKEBBQJJW-QGZVFWFLSA-N 1 0 312.363 4.216 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC001307960984 1065701269 /nfs/dbraw/zinc/70/12/69/1065701269.db2.gz FFNZGWOVRJMTTR-HNNXBMFYSA-N 1 0 312.413 4.138 20 30 DIEDRO N#Cc1ccccc1NC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001307968800 1065703745 /nfs/dbraw/zinc/70/37/45/1065703745.db2.gz ZPPXWGPTSNQKAJ-NRFANRHFSA-N 1 0 317.436 4.122 20 30 DIEDRO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2CCCSCC#N)c1 ZINC001307972028 1065705121 /nfs/dbraw/zinc/70/51/21/1065705121.db2.gz IDVYPYHCQBGXBS-GOSISDBHSA-N 1 0 302.487 4.039 20 30 DIEDRO CC(C)([NH2+]Cc1cc(C#N)ccn1)c1ccc2ccccc2c1 ZINC001307974524 1065708340 /nfs/dbraw/zinc/70/83/40/1065708340.db2.gz RIMPKJMJOTXNSG-UHFFFAOYSA-N 1 0 301.393 4.131 20 30 DIEDRO N#CCc1cccc2c1CC[N@H+](CC/C=C/c1ccccc1)C2 ZINC001307976189 1065710125 /nfs/dbraw/zinc/71/01/25/1065710125.db2.gz RZSABODLUNDOSY-RUDMXATFSA-N 1 0 302.421 4.214 20 30 DIEDRO C=CCC1([NH2+]CC/C=C/c2cncc(OC)c2)CCCCC1 ZINC001308002361 1065719351 /nfs/dbraw/zinc/71/93/51/1065719351.db2.gz FJLHZTOGCCYHSH-WEVVVXLNSA-N 1 0 300.446 4.362 20 30 DIEDRO CCCCCCCC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001308008810 1065721244 /nfs/dbraw/zinc/72/12/44/1065721244.db2.gz QWHVQHRVJVVLIE-UHFFFAOYSA-N 1 0 317.452 4.180 20 30 DIEDRO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC001308014649 1065725476 /nfs/dbraw/zinc/72/54/76/1065725476.db2.gz SXJGMZLDYBPAEM-UHFFFAOYSA-N 1 0 324.509 4.454 20 30 DIEDRO CCCC1(CCC)CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001308050558 1065742313 /nfs/dbraw/zinc/74/23/13/1065742313.db2.gz RMSNSBQPGWGYGJ-GOSISDBHSA-N 1 0 300.446 4.026 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(Br)c(Cl)c2)CCC1 ZINC001308101963 1065765506 /nfs/dbraw/zinc/76/55/06/1065765506.db2.gz UXXWCEOZSZKWNT-UHFFFAOYSA-N 1 0 312.638 4.138 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCCc2ccccc21 ZINC001308103702 1065765517 /nfs/dbraw/zinc/76/55/17/1065765517.db2.gz KOIOQAPZVQQHKW-FQEVSTJZSA-N 1 0 311.375 4.478 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC001308133343 1065773831 /nfs/dbraw/zinc/77/38/31/1065773831.db2.gz DMBNWPVVNMENJX-AWEZNQCLSA-N 1 0 308.853 4.264 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1ccc(-n2nc(C)cc2C)cc1 ZINC001308136310 1065774495 /nfs/dbraw/zinc/77/44/95/1065774495.db2.gz KRXWTKKCSOWETN-LJQANCHMSA-N 1 0 309.457 4.420 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001308135395 1065775273 /nfs/dbraw/zinc/77/52/73/1065775273.db2.gz XQUOYRZASBSGKA-SFHVURJKSA-N 1 0 314.473 4.005 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001308135486 1065776090 /nfs/dbraw/zinc/77/60/90/1065776090.db2.gz YCCNCGCADJUSNZ-KRWDZBQOSA-N 1 0 320.864 4.124 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(Br)cs1 ZINC001308134399 1065776114 /nfs/dbraw/zinc/77/61/14/1065776114.db2.gz AFNOHNHIDQFXBW-GFCCVEGCSA-N 1 0 300.265 4.441 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC001308135487 1065776384 /nfs/dbraw/zinc/77/63/84/1065776384.db2.gz YCCNCGCADJUSNZ-QGZVFWFLSA-N 1 0 320.864 4.124 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1CC1(COc2cccc(COC)c2)CCC1 ZINC001308139280 1065777255 /nfs/dbraw/zinc/77/72/55/1065777255.db2.gz FGOJWZDOTRKPBL-GOSISDBHSA-N 1 0 315.457 4.033 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC001308139566 1065777702 /nfs/dbraw/zinc/77/77/02/1065777702.db2.gz GZEPJSVEOWWGCG-JXXFODFXSA-N 1 0 322.452 4.056 20 30 DIEDRO Cc1cc(C)c2c(c1)CC[N@@H+](CCCOc1ccc(C#N)cc1)C2 ZINC001308173437 1065788908 /nfs/dbraw/zinc/78/89/08/1065788908.db2.gz HVJYMGWJKNHTLK-UHFFFAOYSA-N 1 0 320.436 4.002 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC001308190923 1065801262 /nfs/dbraw/zinc/80/12/62/1065801262.db2.gz OBKYQXRENYPLTD-MAUKXSAKSA-N 1 0 312.457 4.260 20 30 DIEDRO C#Cc1ccc(CNc2ccc(OCC[NH+](CC)CC)cc2)cc1 ZINC001308212497 1065820174 /nfs/dbraw/zinc/82/01/74/1065820174.db2.gz XAHSZMSISACHTH-UHFFFAOYSA-N 1 0 322.452 4.001 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CCOCC2)C1 ZINC001308221260 1065828970 /nfs/dbraw/zinc/82/89/70/1065828970.db2.gz JSJYNBXMROKMSF-RBUKOAKNSA-N 1 0 313.485 4.378 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)cc(OC)c1O ZINC001308252173 1065856581 /nfs/dbraw/zinc/85/65/81/1065856581.db2.gz QFURKSJYECBYKV-FUHWJXTLSA-N 1 0 317.473 4.434 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)cc(OC)c1O ZINC001308252174 1065856747 /nfs/dbraw/zinc/85/67/47/1065856747.db2.gz QFURKSJYECBYKV-SJLPKXTDSA-N 1 0 317.473 4.434 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC001308265973 1065866453 /nfs/dbraw/zinc/86/64/53/1065866453.db2.gz HURAGBRDPQCQHW-GOEBONIOSA-N 1 0 308.263 4.326 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC001308267992 1065868505 /nfs/dbraw/zinc/86/85/05/1065868505.db2.gz ZZVNCRNTKVIRGJ-NJAFHUGGSA-N 1 0 302.437 4.129 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)C1 ZINC001308271913 1065869283 /nfs/dbraw/zinc/86/92/83/1065869283.db2.gz MFPKNQOKWZEYHJ-NZSAHSFTSA-N 1 0 316.464 4.437 20 30 DIEDRO Cc1cc(C)cc(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC001308275668 1065875266 /nfs/dbraw/zinc/87/52/66/1065875266.db2.gz IMQSJVHRZLPQFJ-UHFFFAOYSA-N 1 0 306.453 4.437 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(Cl)c2F)c1 ZINC001308293021 1065888071 /nfs/dbraw/zinc/88/80/71/1065888071.db2.gz PHHCDGKWLBRPGC-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001308295329 1065890889 /nfs/dbraw/zinc/89/08/89/1065890889.db2.gz JPVQSMJIAXYRPR-QAPCUYQASA-N 1 0 315.457 4.476 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCCOC)C1 ZINC001308305911 1065900742 /nfs/dbraw/zinc/90/07/42/1065900742.db2.gz HSMBEFJAJLGVEE-MJGOQNOKSA-N 1 0 317.473 4.245 20 30 DIEDRO CC(C)C1CCC(C[NH2+]Cc2cc(C#N)ccc2N(C)C)CC1 ZINC001308316129 1065909224 /nfs/dbraw/zinc/90/92/24/1065909224.db2.gz CADIDQROMMGNCY-UHFFFAOYSA-N 1 0 313.489 4.176 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001308328040 1065915923 /nfs/dbraw/zinc/91/59/23/1065915923.db2.gz YFOWNYWQNJWVDK-UHFFFAOYSA-N 1 0 308.425 4.172 20 30 DIEDRO N#Cc1ccc(C[NH2+]C/C=C/c2cccc(F)c2)cc1Cl ZINC001308382836 1065953275 /nfs/dbraw/zinc/95/32/75/1065953275.db2.gz BVWHELAWSNIYCF-DUXPYHPUSA-N 1 0 300.764 4.154 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC001308395144 1065961452 /nfs/dbraw/zinc/96/14/52/1065961452.db2.gz KNPPZZNMRVGMCQ-UHFFFAOYSA-N 1 0 319.246 4.133 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001308399116 1065963300 /nfs/dbraw/zinc/96/33/00/1065963300.db2.gz OSOWFFMRQVOKLK-UYAOXDASSA-N 1 0 300.490 4.233 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(OC)c2F)CCCCC1 ZINC001308403692 1065965136 /nfs/dbraw/zinc/96/51/36/1065965136.db2.gz HCIATGPPMXMOIG-UHFFFAOYSA-N 1 0 307.409 4.212 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC001308406825 1065966936 /nfs/dbraw/zinc/96/69/36/1065966936.db2.gz FZAAWQLLVLROQT-UHFFFAOYSA-N 1 0 308.397 4.390 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1CCCCCC1 ZINC001308405248 1065967083 /nfs/dbraw/zinc/96/70/83/1065967083.db2.gz PPKPAKYVOMAQRV-UHFFFAOYSA-N 1 0 305.849 4.412 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC001308411142 1065970262 /nfs/dbraw/zinc/97/02/62/1065970262.db2.gz SRMGCBDTZGBVPW-RTWAWAEBSA-N 1 0 307.437 4.485 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC001308410195 1065970334 /nfs/dbraw/zinc/97/03/34/1065970334.db2.gz DZOTUTLYEGATKK-CVEARBPZSA-N 1 0 319.351 4.048 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CSc3ccccc32)cc1 ZINC001308416627 1065975276 /nfs/dbraw/zinc/97/52/76/1065975276.db2.gz KUECWHHTRRPZLQ-QGZVFWFLSA-N 1 0 323.461 4.068 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1OC ZINC001308431896 1065983893 /nfs/dbraw/zinc/98/38/93/1065983893.db2.gz BSMCWUBXUKYYIR-YCPHGPKFSA-N 1 0 321.848 4.192 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(C)cc2Br)c1 ZINC001308435166 1065986708 /nfs/dbraw/zinc/98/67/08/1065986708.db2.gz HFSQKRAHEAOKRP-UHFFFAOYSA-N 1 0 314.226 4.029 20 30 DIEDRO CC[C@@H](OCC[NH2+]Cc1c(C)cc(C#N)cc1C)c1ccccc1 ZINC001308455122 1065998894 /nfs/dbraw/zinc/99/88/94/1065998894.db2.gz CJYFSGMDJZOFGP-OAQYLSRUSA-N 1 0 322.452 4.433 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(N(C)CC)nc2)CCCC1 ZINC001308464435 1066006155 /nfs/dbraw/zinc/00/61/55/1066006155.db2.gz URGSBRGNMYOOOT-UHFFFAOYSA-N 1 0 301.478 4.154 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)cc1 ZINC001308464896 1066006744 /nfs/dbraw/zinc/00/67/44/1066006744.db2.gz RRNDSQVJYZCAIB-IERDGZPVSA-N 1 0 305.421 4.030 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC001308482650 1066020068 /nfs/dbraw/zinc/02/00/68/1066020068.db2.gz SETNDFOQBAXBDF-UHFFFAOYSA-N 1 0 310.363 4.387 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@]23C[C@H]2CCCC3)cc1OC ZINC001308489170 1066022702 /nfs/dbraw/zinc/02/27/02/1066022702.db2.gz NNQVCDQXFAXDRZ-RDTXWAMCSA-N 1 0 321.848 4.336 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccnn1CCc1ccccc1 ZINC001308509505 1066036369 /nfs/dbraw/zinc/03/63/69/1066036369.db2.gz APADABGSERLSNI-UHFFFAOYSA-N 1 0 311.473 4.208 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC001308510387 1066036881 /nfs/dbraw/zinc/03/68/81/1066036881.db2.gz NRVCHVYHQNCAJF-CTYIDZIISA-N 1 0 306.247 4.039 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CC2(c3cccc(F)c3)CCC2)cc1 ZINC001308513133 1066038985 /nfs/dbraw/zinc/03/89/85/1066038985.db2.gz JCNXBMJRVIGOQW-UHFFFAOYSA-N 1 0 323.411 4.049 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccc2cnccc2c1 ZINC001308530172 1066047953 /nfs/dbraw/zinc/04/79/53/1066047953.db2.gz SDWLDJWLBXTVMM-UHFFFAOYSA-N 1 0 315.420 4.217 20 30 DIEDRO C=CC1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC001308560422 1066070522 /nfs/dbraw/zinc/07/05/22/1066070522.db2.gz OSZPNXAKUHEMBK-UHFFFAOYSA-N 1 0 320.408 4.486 20 30 DIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2F)C2CCCCC2)n1 ZINC001308574455 1066085948 /nfs/dbraw/zinc/08/59/48/1066085948.db2.gz PJPDFTSSAPBYOY-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO CCNc1ccccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001308579317 1066094015 /nfs/dbraw/zinc/09/40/15/1066094015.db2.gz WVACQONLPJEPKZ-CTNGQTDRSA-N 1 0 319.452 4.390 20 30 DIEDRO CCc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1O ZINC001308579619 1066096409 /nfs/dbraw/zinc/09/64/09/1066096409.db2.gz ZNDNRBFWOBTPSH-PMACEKPBSA-N 1 0 320.436 4.226 20 30 DIEDRO C[C@]1(CCc2ccccc2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001308597478 1066109149 /nfs/dbraw/zinc/10/91/49/1066109149.db2.gz GELDYVYJSOKENN-QFIPXVFZSA-N 1 0 303.449 4.383 20 30 DIEDRO C=CC[N@@H+](Cc1cc(-c2ccccn2)n[nH]1)CC1CCCCC1 ZINC001308634066 1066129187 /nfs/dbraw/zinc/12/91/87/1066129187.db2.gz HUSYQQQOWBKDHP-UHFFFAOYSA-N 1 0 310.445 4.040 20 30 DIEDRO C#CC[N@@H+](C/C=C/c1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC001308635977 1066130012 /nfs/dbraw/zinc/13/00/12/1066130012.db2.gz ZZIGEECHWSWQDX-LYSGITKLSA-N 1 0 305.396 4.462 20 30 DIEDRO C#CC[N@@H+](C/C=C\c1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC001308635979 1066130041 /nfs/dbraw/zinc/13/00/41/1066130041.db2.gz ZZIGEECHWSWQDX-RMUOZIPVSA-N 1 0 305.396 4.462 20 30 DIEDRO C#CC[N@@H+](C/C=C\c1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001308635978 1066130369 /nfs/dbraw/zinc/13/03/69/1066130369.db2.gz ZZIGEECHWSWQDX-QEVIJRNUSA-N 1 0 305.396 4.462 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001308666403 1066144766 /nfs/dbraw/zinc/14/47/66/1066144766.db2.gz OEYBLPAQLVLJOJ-HIFRSBDPSA-N 1 0 310.363 4.435 20 30 DIEDRO Cc1oc2ccccc2c1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001308667509 1066146050 /nfs/dbraw/zinc/14/60/50/1066146050.db2.gz COYADRDLGKJRPS-UHFFFAOYSA-N 1 0 316.404 4.455 20 30 DIEDRO C#Cc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)cc1 ZINC001308687762 1066181353 /nfs/dbraw/zinc/18/13/53/1066181353.db2.gz YWJWQMIHOLVDPE-HRAATJIYSA-N 1 0 305.421 4.260 20 30 DIEDRO C#Cc1ccc(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)cc1 ZINC001308687763 1066181411 /nfs/dbraw/zinc/18/14/11/1066181411.db2.gz YWJWQMIHOLVDPE-IERDGZPVSA-N 1 0 305.421 4.260 20 30 DIEDRO C#Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)cc1 ZINC001308687765 1066181522 /nfs/dbraw/zinc/18/15/22/1066181522.db2.gz YWJWQMIHOLVDPE-KKSFZXQISA-N 1 0 305.421 4.260 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC001308692855 1066183584 /nfs/dbraw/zinc/18/35/84/1066183584.db2.gz PEDSAFKILYOMEN-SJLPKXTDSA-N 1 0 306.494 4.035 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC001308695590 1066185068 /nfs/dbraw/zinc/18/50/68/1066185068.db2.gz NENBOBJARKAZCJ-AZUAARDMSA-N 1 0 300.490 4.160 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001308703107 1066188465 /nfs/dbraw/zinc/18/84/65/1066188465.db2.gz GQXBHOHENYLGHG-BEFAXECRSA-N 1 0 315.436 4.373 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2cnc(C(C)(C)C)nc2)CCCC1(C)C ZINC001308724043 1066201498 /nfs/dbraw/zinc/20/14/98/1066201498.db2.gz KSLSMIQAEJLBNB-MRXNPFEDSA-N 1 0 301.478 4.341 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001308737690 1066213423 /nfs/dbraw/zinc/21/34/23/1066213423.db2.gz LIGXUTRCPOTGHV-ZDUSSCGKSA-N 1 0 316.367 4.247 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cc(F)c(F)cc1Br ZINC001308752142 1066224098 /nfs/dbraw/zinc/22/40/98/1066224098.db2.gz VDSONJYFBZCEGU-VIFPVBQESA-N 1 0 304.178 4.172 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC001308753600 1066228636 /nfs/dbraw/zinc/22/86/36/1066228636.db2.gz CFMRGOAPUXUUHY-UHFFFAOYSA-N 1 0 305.853 4.453 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](O)c1cc(Cl)ccc1OC ZINC001308764835 1066237212 /nfs/dbraw/zinc/23/72/12/1066237212.db2.gz DKSSBUTXRLHNTR-HOCLYGCPSA-N 1 0 311.853 4.107 20 30 DIEDRO C=CCC1(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CCCC1 ZINC001308763310 1066237247 /nfs/dbraw/zinc/23/72/47/1066237247.db2.gz NXLNBXSVDPKAAX-FQEVSTJZSA-N 1 0 312.501 4.377 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](Cc1cccc(Cl)c1)CC(C)C ZINC001308770132 1066243347 /nfs/dbraw/zinc/24/33/47/1066243347.db2.gz NTBZNXXVKSGLNG-KSZLIROESA-N 1 0 307.865 4.230 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)cc1 ZINC001308775358 1066247554 /nfs/dbraw/zinc/24/75/54/1066247554.db2.gz AWHGADQTAGEMDR-FHLIZLRMSA-N 1 0 311.450 4.042 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC001308778380 1066249934 /nfs/dbraw/zinc/24/99/34/1066249934.db2.gz HDLBYKRCOLDKIO-IRXDYDNUSA-N 1 0 304.453 4.377 20 30 DIEDRO C#C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccc(Br)cc1 ZINC001308786059 1066260653 /nfs/dbraw/zinc/26/06/53/1066260653.db2.gz VMPCZKBCPQPVGS-IUODEOHRSA-N 1 0 308.263 4.395 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC001308786073 1066261209 /nfs/dbraw/zinc/26/12/09/1066261209.db2.gz IADDAHMVAPPBSA-HKUYNNGSSA-N 1 0 300.490 4.089 20 30 DIEDRO C#C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 ZINC001308795713 1066270682 /nfs/dbraw/zinc/27/06/82/1066270682.db2.gz KPJKITWKXQSZAM-ZWKOTPCHSA-N 1 0 316.231 4.425 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(C)(C)C ZINC001308794310 1066271152 /nfs/dbraw/zinc/27/11/52/1066271152.db2.gz KTCLRIREMGQJKB-HXUWFJFHSA-N 1 0 323.436 4.109 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 ZINC001308795711 1066271624 /nfs/dbraw/zinc/27/16/24/1066271624.db2.gz KPJKITWKXQSZAM-ROUUACIJSA-N 1 0 316.231 4.425 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001308800204 1066278177 /nfs/dbraw/zinc/27/81/77/1066278177.db2.gz HERABNWEWUEFJU-NLWGTHIKSA-N 1 0 300.490 4.374 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001308812727 1066288523 /nfs/dbraw/zinc/28/85/23/1066288523.db2.gz IYGJAAMIKRFUNG-UYAOXDASSA-N 1 0 308.400 4.465 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CC(C)(C)CC(=O)OC ZINC001308814971 1066291928 /nfs/dbraw/zinc/29/19/28/1066291928.db2.gz OGKAFTLQQIJJBE-FUHWJXTLSA-N 1 0 317.473 4.131 20 30 DIEDRO N#Cc1cc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)cs1 ZINC001308823484 1066299793 /nfs/dbraw/zinc/29/97/93/1066299793.db2.gz OPEXJXPHJYLNFC-HNNXBMFYSA-N 1 0 318.392 4.105 20 30 DIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC001308867106 1066348877 /nfs/dbraw/zinc/34/88/77/1066348877.db2.gz JHWJUQBGQCOHGO-JKSUJKDBSA-N 1 0 300.446 4.251 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC001308867103 1066348945 /nfs/dbraw/zinc/34/89/45/1066348945.db2.gz JHWJUQBGQCOHGO-CVEARBPZSA-N 1 0 300.446 4.251 20 30 DIEDRO N#Cc1ccccc1N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001308891058 1066370277 /nfs/dbraw/zinc/37/02/77/1066370277.db2.gz LCBGWSYINGKSHE-UHFFFAOYSA-N 1 0 311.473 4.087 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC001308895150 1066375248 /nfs/dbraw/zinc/37/52/48/1066375248.db2.gz NAGQGDSNXYWEKO-AZUAARDMSA-N 1 0 314.517 4.479 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC001308931299 1066405625 /nfs/dbraw/zinc/40/56/25/1066405625.db2.gz OOZUTYXOLZGPBW-LBPRGKRZSA-N 1 0 305.388 4.278 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1COc2cccc(Br)c2C1 ZINC001308913089 1066392762 /nfs/dbraw/zinc/39/27/62/1066392762.db2.gz KGLBWHJUSUIHQV-OLZOCXBDSA-N 1 0 324.262 4.087 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC001308925145 1066401064 /nfs/dbraw/zinc/40/10/64/1066401064.db2.gz DFOVPBPJFGRSPC-ZQIUZPCESA-N 1 0 320.274 4.162 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001308926132 1066401882 /nfs/dbraw/zinc/40/18/82/1066401882.db2.gz SQWUXQOAYGVYJP-RHSMWYFYSA-N 1 0 320.864 4.170 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC001308957438 1066417924 /nfs/dbraw/zinc/41/79/24/1066417924.db2.gz BATAUHBTUSXJGS-HUUCEWRRSA-N 1 0 317.845 4.094 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](c2nc(CC)no2)C1 ZINC001308958549 1066419859 /nfs/dbraw/zinc/41/98/59/1066419859.db2.gz HTPOVFPPWJOURD-ARFHVFGLSA-N 1 0 305.466 4.383 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001308967498 1066424961 /nfs/dbraw/zinc/42/49/61/1066424961.db2.gz HMDNTFYAMZYGEO-NCOADZHNSA-N 1 0 322.493 4.251 20 30 DIEDRO C#Cc1ccc(N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001308974703 1066428301 /nfs/dbraw/zinc/42/83/01/1066428301.db2.gz SUAITTJSYCCQTM-DYESRHJHSA-N 1 0 304.437 4.133 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H](Cc1ccccc1)c1ccccn1 ZINC001308982219 1066431836 /nfs/dbraw/zinc/43/18/36/1066431836.db2.gz ARPAAYPUZKGRHR-PKOBYXMFSA-N 1 0 321.468 4.326 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CC#N)cc1)CCCO2 ZINC000563715189 334933252 /nfs/dbraw/zinc/93/32/52/334933252.db2.gz REWOEZQQGYBALK-LJQANCHMSA-N 1 0 306.409 4.065 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccsc2)ccc1OC ZINC000057963219 334952717 /nfs/dbraw/zinc/95/27/17/334952717.db2.gz YSWJGQCCPQRTNL-UHFFFAOYSA-N 1 0 303.427 4.001 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000442897565 338439006 /nfs/dbraw/zinc/43/90/06/338439006.db2.gz IBHIUGRVPQVUOG-CYBMUJFWSA-N 1 0 319.433 4.328 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000280943516 334967722 /nfs/dbraw/zinc/96/77/22/334967722.db2.gz WMTLFTUBUXBQJL-XUWXXGDYSA-N 1 0 321.486 4.049 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000280968895 334974619 /nfs/dbraw/zinc/97/46/19/334974619.db2.gz ZXYAXBMNGVWJEU-CFVMTHIKSA-N 1 0 322.518 4.381 20 30 DIEDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000091307713 193036821 /nfs/dbraw/zinc/03/68/21/193036821.db2.gz KHDPEISVDFTPRS-HUUCEWRRSA-N 1 0 318.424 4.340 20 30 DIEDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000091307708 193037550 /nfs/dbraw/zinc/03/75/50/193037550.db2.gz KHDPEISVDFTPRS-LSDHHAIUSA-N 1 0 318.424 4.340 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000303766367 335020763 /nfs/dbraw/zinc/02/07/63/335020763.db2.gz PTYSTRURVCBSQK-PKOBYXMFSA-N 1 0 320.436 4.124 20 30 DIEDRO C=CCN(Cc1csc(C2CC2)n1)Cc1cccc(C#N)c1 ZINC000135172098 335024680 /nfs/dbraw/zinc/02/46/80/335024680.db2.gz KHYXMUGGTSDIII-UHFFFAOYSA-N 1 0 309.438 4.080 20 30 DIEDRO C#CCCCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000192109581 335026119 /nfs/dbraw/zinc/02/61/19/335026119.db2.gz HZZNUNQJXVAADA-UHFFFAOYSA-N 1 0 312.457 4.193 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OCC)c(OC)c1)c1ccco1 ZINC000285526519 335026767 /nfs/dbraw/zinc/02/67/67/335026767.db2.gz FEQDFHRRPXCXBZ-INIZCTEOSA-N 1 0 315.413 4.484 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccco1 ZINC000285932362 335028250 /nfs/dbraw/zinc/02/82/50/335028250.db2.gz CYOKPNDNZKOCSM-CVEARBPZSA-N 1 0 321.486 4.321 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccccc1OCCOC)c1ccco1 ZINC000286007816 335031579 /nfs/dbraw/zinc/03/15/79/335031579.db2.gz IZSNDBDNFBLQPD-KRWDZBQOSA-N 1 0 315.413 4.102 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccco1 ZINC000287488687 335043904 /nfs/dbraw/zinc/04/39/04/335043904.db2.gz NDOLJZDSIZPATK-ZDUSSCGKSA-N 1 0 308.328 4.073 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000272181153 130005304 /nfs/dbraw/zinc/00/53/04/130005304.db2.gz FVUGKPSUEBPKOI-HNNXBMFYSA-N 1 0 306.409 4.297 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(C#N)cc1 ZINC000274400613 130231667 /nfs/dbraw/zinc/23/16/67/130231667.db2.gz SEVFCSYASHIOID-CQSZACIVSA-N 1 0 322.408 4.054 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000275721956 130371155 /nfs/dbraw/zinc/37/11/55/130371155.db2.gz SPSXMABGSRONDF-INIZCTEOSA-N 1 0 312.457 4.433 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000278284462 130677139 /nfs/dbraw/zinc/67/71/39/130677139.db2.gz QHZPLGUHBIGCKF-RXVVDRJESA-N 1 0 319.452 4.125 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000340173092 130992129 /nfs/dbraw/zinc/99/21/29/130992129.db2.gz OAEFUXRYFAODPM-UHFFFAOYSA-N 1 0 321.449 4.063 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000296595162 131974629 /nfs/dbraw/zinc/97/46/29/131974629.db2.gz VFDSXMVYGBJPAX-HNNXBMFYSA-N 1 0 319.330 4.213 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000297157631 132002278 /nfs/dbraw/zinc/00/22/78/132002278.db2.gz CSHMEFJPEVGCRX-SCLBCKFNSA-N 1 0 309.369 4.268 20 30 DIEDRO N#CC1(CC[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CCCCC1 ZINC000425551394 335082344 /nfs/dbraw/zinc/08/23/44/335082344.db2.gz JKFJYNWUSSFZCJ-GOSISDBHSA-N 1 0 316.489 4.132 20 30 DIEDRO C=CCC1(C(=O)N[C@@H](C)CCC[NH+](CC)CC)CCCCC1 ZINC000448758886 332764261 /nfs/dbraw/zinc/76/42/61/332764261.db2.gz LTSJXPUYRPJBHR-KRWDZBQOSA-N 1 0 308.510 4.140 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000570718044 332805264 /nfs/dbraw/zinc/80/52/64/332805264.db2.gz MFYRNYLOYBDZHT-UHFFFAOYSA-N 1 0 310.344 4.123 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000570745954 332810022 /nfs/dbraw/zinc/81/00/22/332810022.db2.gz SNABMYFVNDGKJE-ZDUSSCGKSA-N 1 0 303.381 4.191 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000035230461 331488411 /nfs/dbraw/zinc/48/84/11/331488411.db2.gz GGQFNTBHIUMRQP-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO N#Cc1csc(C[NH2+]CCCCOc2ccc(Cl)cc2)c1 ZINC000530879566 331632225 /nfs/dbraw/zinc/63/22/25/331632225.db2.gz DOCOQXZXXYPBDE-UHFFFAOYSA-N 1 0 320.845 4.222 20 30 DIEDRO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000584092287 331709972 /nfs/dbraw/zinc/70/99/72/331709972.db2.gz MFJHLZVPDPKRLH-LIRRHRJNSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000556514584 331712071 /nfs/dbraw/zinc/71/20/71/331712071.db2.gz GANUQQXPAOSLQH-IAQYHMDHSA-N 1 0 309.251 4.240 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000556521127 331713564 /nfs/dbraw/zinc/71/35/64/331713564.db2.gz XWZGHFWPSCXDEI-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)C1CC1 ZINC000556913608 331752976 /nfs/dbraw/zinc/75/29/76/331752976.db2.gz UVPNESQXUWFWPK-GOSISDBHSA-N 1 0 302.437 4.260 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc3c(s1)CCCC3)CC2 ZINC000558499231 331913634 /nfs/dbraw/zinc/91/36/34/331913634.db2.gz RDRXGEMYBQZMRI-GOSISDBHSA-N 1 0 308.450 4.276 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1Cl ZINC000072513357 331930407 /nfs/dbraw/zinc/93/04/07/331930407.db2.gz PTZRNQYRSJZNML-SNVBAGLBSA-N 1 0 303.258 4.291 20 30 DIEDRO Cc1cccc(C2(C[NH2+]C[C@@H](C#N)CCC#N)CCCCC2)c1 ZINC000558731531 331939710 /nfs/dbraw/zinc/93/97/10/331939710.db2.gz BNRNSJXYUFCRRW-GOSISDBHSA-N 1 0 309.457 4.230 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000174295538 333084388 /nfs/dbraw/zinc/08/43/88/333084388.db2.gz TUQKRQOHDNOVAO-UHFFFAOYSA-N 1 0 313.214 4.008 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000559153803 331983156 /nfs/dbraw/zinc/98/31/56/331983156.db2.gz LEFIOUKTVXHADF-CVEARBPZSA-N 1 0 302.368 4.136 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CC#N)cc1)CCS2 ZINC000518183618 331995060 /nfs/dbraw/zinc/99/50/60/331995060.db2.gz JBBNIWOCIITZFH-GOSISDBHSA-N 1 0 324.449 4.088 20 30 DIEDRO CC(C)COc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000127318009 332001189 /nfs/dbraw/zinc/00/11/89/332001189.db2.gz ZRQDKFIFQJTPQE-INIZCTEOSA-N 1 0 308.425 4.444 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000518276756 332004866 /nfs/dbraw/zinc/00/48/66/332004866.db2.gz NRDQLKDJLZFKRP-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000518277942 332005794 /nfs/dbraw/zinc/00/57/94/332005794.db2.gz DXJFZVHBUJKUEO-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c(Cl)c1 ZINC000559299971 332020679 /nfs/dbraw/zinc/02/06/79/332020679.db2.gz LOUFCSIVGPLCAW-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000518398776 332025356 /nfs/dbraw/zinc/02/53/56/332025356.db2.gz ZRVZFWGZVYYXCP-WKCHPHFGSA-N 1 0 318.420 4.025 20 30 DIEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000409447328 332031786 /nfs/dbraw/zinc/03/17/86/332031786.db2.gz KFTDKCHXDBXEMI-AEFFLSMTSA-N 1 0 300.446 4.168 20 30 DIEDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCCCC(C)(C)C#N ZINC000409447351 332031969 /nfs/dbraw/zinc/03/19/69/332031969.db2.gz QDIFZPDQLHQZDR-CRAIPNDOSA-N 1 0 300.446 4.030 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cn1)[C@H](C)c1cc2ccccc2o1 ZINC000518467330 332057597 /nfs/dbraw/zinc/05/75/97/332057597.db2.gz ZTEYGSOWEVNHLU-CQSZACIVSA-N 1 0 305.381 4.283 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000090665850 332092319 /nfs/dbraw/zinc/09/23/19/332092319.db2.gz RJHSVZHKKOICMS-PBHICJAKSA-N 1 0 308.381 4.111 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665807 332092531 /nfs/dbraw/zinc/09/25/31/332092531.db2.gz KBTVDVXDHOFSCM-LAUBAEHRSA-N 1 0 318.420 4.394 20 30 DIEDRO C=C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000518677366 332124685 /nfs/dbraw/zinc/12/46/85/332124685.db2.gz KGQNKOHBBJLQOT-UHFFFAOYSA-N 1 0 306.409 4.091 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000133086553 332136430 /nfs/dbraw/zinc/13/64/30/332136430.db2.gz JVFOOKPOJXGUQD-VHSXEESVSA-N 1 0 303.269 4.301 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccccc1 ZINC000181223795 332187078 /nfs/dbraw/zinc/18/70/78/332187078.db2.gz NDKNNKILFYUFEW-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181319681 332191213 /nfs/dbraw/zinc/19/12/13/332191213.db2.gz GGGUUADFZIZDSO-CABCVRRESA-N 1 0 302.418 4.039 20 30 DIEDRO C=CCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000448026781 332195623 /nfs/dbraw/zinc/19/56/23/332195623.db2.gz JUVSKEXSGBWJLE-OAHLLOKOSA-N 1 0 321.486 4.020 20 30 DIEDRO COc1cc(Cl)c(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1Cl ZINC000449444669 332199191 /nfs/dbraw/zinc/19/91/91/332199191.db2.gz CAXGXXXNNPQTAJ-JQWIXIFHSA-N 1 0 313.228 4.174 20 30 DIEDRO COc1cc2c(cc1Cl)C[N@H+](CCCCC(C)(C)C#N)CC2 ZINC000559451542 332260719 /nfs/dbraw/zinc/26/07/19/332260719.db2.gz SJGZTERUHVXVNP-UHFFFAOYSA-N 1 0 320.864 4.427 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1OCCCC#N ZINC000107318653 332264522 /nfs/dbraw/zinc/26/45/22/332264522.db2.gz NKATZQFDCDZVCO-MRXNPFEDSA-N 1 0 324.424 4.229 20 30 DIEDRO COc1ccc(CC[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000531105548 332264682 /nfs/dbraw/zinc/26/46/82/332264682.db2.gz QNSOMAWATLGNIM-UHFFFAOYSA-N 1 0 308.425 4.020 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000559875889 332288241 /nfs/dbraw/zinc/28/82/41/332288241.db2.gz ASUYSWOSLADYBO-OAHLLOKOSA-N 1 0 305.462 4.135 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000559921506 332294081 /nfs/dbraw/zinc/29/40/81/332294081.db2.gz LAQJLKPXBAQPEG-INIZCTEOSA-N 1 0 314.473 4.406 20 30 DIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCCC(C)(C)C#N)CCC2 ZINC000152605658 332313891 /nfs/dbraw/zinc/31/38/91/332313891.db2.gz WRKOKUDMWOAQHR-CQSZACIVSA-N 1 0 305.491 4.345 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000560245108 332322885 /nfs/dbraw/zinc/32/28/85/332322885.db2.gz RWPCOHHFSPLLOA-AWEZNQCLSA-N 1 0 311.853 4.371 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)ccc1C#N ZINC000564407730 332328376 /nfs/dbraw/zinc/32/83/76/332328376.db2.gz PVQJQTWRNUFFEG-CYBMUJFWSA-N 1 0 318.829 4.059 20 30 DIEDRO CCC(CC)(C[NH2+][C@H](C)c1ccc(OCC#N)cc1)SC ZINC000224699968 332336658 /nfs/dbraw/zinc/33/66/58/332336658.db2.gz DUFLMPGFMVMJMN-CQSZACIVSA-N 1 0 306.475 4.161 20 30 DIEDRO C=CCCCC[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000560548339 332357544 /nfs/dbraw/zinc/35/75/44/332357544.db2.gz FEMJHCYQHHJKDC-FQEVSTJZSA-N 1 0 310.441 4.320 20 30 DIEDRO CC[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000560556139 332359446 /nfs/dbraw/zinc/35/94/46/332359446.db2.gz FKKWAWWPARDFDR-RHDGDCLCSA-N 1 0 322.456 4.017 20 30 DIEDRO CC1(C)C[N@H+](Cc2cccc(OCCCC#N)c2)[C@@H]2CCC[C@H]21 ZINC000560621683 332369861 /nfs/dbraw/zinc/36/98/61/332369861.db2.gz YFTUVMRNMSGRDA-RTBURBONSA-N 1 0 312.457 4.380 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000237719835 332386295 /nfs/dbraw/zinc/38/62/95/332386295.db2.gz IXHSBRCVYYMRES-HXUWFJFHSA-N 1 0 324.399 4.285 20 30 DIEDRO Cc1ccc(COc2ccc(C[NH2+]CCCCC#N)cc2)cc1 ZINC000237755117 332388565 /nfs/dbraw/zinc/38/85/65/332388565.db2.gz PCHGNQBOJKCXHV-UHFFFAOYSA-N 1 0 308.425 4.358 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2CC(C)(C)CCC#N)c(OC)c1 ZINC000121021641 332391281 /nfs/dbraw/zinc/39/12/81/332391281.db2.gz AYFLEJTWHSYWBP-QGZVFWFLSA-N 1 0 316.445 4.171 20 30 DIEDRO C[C@H]1CCC[C@H](CC[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000560930419 332395041 /nfs/dbraw/zinc/39/50/41/332395041.db2.gz UPIZVTRCZLQURX-ZWKOTPCHSA-N 1 0 311.473 4.155 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1)c1ccccc1 ZINC000561160340 332418571 /nfs/dbraw/zinc/41/85/71/332418571.db2.gz DZUHYVLZCANLQZ-LJQANCHMSA-N 1 0 309.409 4.270 20 30 DIEDRO C=CC[C@@H](C(=O)Nc1cc(C)cc(C[NH+](C)C)c1)c1ccccc1 ZINC000427646518 332476088 /nfs/dbraw/zinc/47/60/88/332476088.db2.gz RQDFWXQWALGPSZ-HXUWFJFHSA-N 1 0 322.452 4.355 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC23CCCC3)ccc1OC ZINC000428540031 332480431 /nfs/dbraw/zinc/48/04/31/332480431.db2.gz NLWGJTDKDMQWRU-SFHVURJKSA-N 1 0 301.430 4.072 20 30 DIEDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000564526955 332542928 /nfs/dbraw/zinc/54/29/28/332542928.db2.gz BGMKIUMONNQWOO-LBPRGKRZSA-N 1 0 322.330 4.281 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCSc1ccccc1)CC2 ZINC000562081100 332543961 /nfs/dbraw/zinc/54/39/61/332543961.db2.gz IWEVCZJTFJKODT-IBGZPJMESA-N 1 0 308.450 4.318 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000525697068 332623579 /nfs/dbraw/zinc/62/35/79/332623579.db2.gz FQTKGPDXRSFIHO-UHFFFAOYSA-N 1 0 323.436 4.047 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)Nc1ccccc1 ZINC000562906728 332639103 /nfs/dbraw/zinc/63/91/03/332639103.db2.gz GNVPEYWFOSOHMT-SFTDATJTSA-N 1 0 319.452 4.272 20 30 DIEDRO C=CCCCC[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000570038288 332705034 /nfs/dbraw/zinc/70/50/34/332705034.db2.gz KIVSUTQMGPXWIB-UHFFFAOYSA-N 1 0 303.446 4.033 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(O)c1 ZINC000181532484 333031122 /nfs/dbraw/zinc/03/11/22/333031122.db2.gz LZFRMXQLPLHMGR-CYBMUJFWSA-N 1 0 319.326 4.113 20 30 DIEDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000171769837 333054449 /nfs/dbraw/zinc/05/44/49/333054449.db2.gz PDVVBLMMAOCFHT-UHFFFAOYSA-N 1 0 308.425 4.176 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000174294396 333084488 /nfs/dbraw/zinc/08/44/88/333084488.db2.gz FPTMPTHMDNLTQO-UHFFFAOYSA-N 1 0 314.351 4.004 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000174327283 333084979 /nfs/dbraw/zinc/08/49/79/333084979.db2.gz QSYKJABFKSIJOR-UHFFFAOYSA-N 1 0 309.413 4.293 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCOc1ccccc1C(F)(F)F ZINC000174365023 333085549 /nfs/dbraw/zinc/08/55/49/333085549.db2.gz WEMVRIOFUSQEPG-UHFFFAOYSA-N 1 0 314.351 4.004 20 30 DIEDRO Cc1ccc(OC2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000174866711 333091999 /nfs/dbraw/zinc/09/19/99/333091999.db2.gz WFIDEIWWHMKVJR-UHFFFAOYSA-N 1 0 300.446 4.168 20 30 DIEDRO CC(C)C[N@H+](CCCC(C)(C)C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000174867047 333092138 /nfs/dbraw/zinc/09/21/38/333092138.db2.gz KEIQLFIWYKPGPV-GOSISDBHSA-N 1 0 320.452 4.147 20 30 DIEDRO N#CCCCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175855597 333105638 /nfs/dbraw/zinc/10/56/38/333105638.db2.gz YKMKKZFSSGVAEM-CVEARBPZSA-N 1 0 306.475 4.110 20 30 DIEDRO N#CCCCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175855578 333105694 /nfs/dbraw/zinc/10/56/94/333105694.db2.gz YKMKKZFSSGVAEM-HZPDHXFCSA-N 1 0 306.475 4.110 20 30 DIEDRO N#CCSCCCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000516650524 333109435 /nfs/dbraw/zinc/10/94/35/333109435.db2.gz OXFKFRZBIMJNNJ-QGZVFWFLSA-N 1 0 320.527 4.031 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cc3c(s2)CCCC3)c1 ZINC000518774429 333109862 /nfs/dbraw/zinc/10/98/62/333109862.db2.gz HFECVIDQPISZCK-UHFFFAOYSA-N 1 0 313.466 4.482 20 30 DIEDRO Cc1c([C@@H](C)[NH2+]CCCCC#N)cnn1-c1cc(C)ccc1C ZINC000178640738 333141699 /nfs/dbraw/zinc/14/16/99/333141699.db2.gz KHBFIFVMJLTRKC-MRXNPFEDSA-N 1 0 310.445 4.142 20 30 DIEDRO N#CCCCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000178647981 333141910 /nfs/dbraw/zinc/14/19/10/333141910.db2.gz RMIBYOAUGQZSRF-CYBMUJFWSA-N 1 0 313.228 4.491 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CCCCC#N)ccc1SC(F)F ZINC000178648882 333141970 /nfs/dbraw/zinc/14/19/70/333141970.db2.gz CGEKURYTUWVNQN-NSHDSACASA-N 1 0 314.401 4.354 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180065350 333158244 /nfs/dbraw/zinc/15/82/44/333158244.db2.gz YMCBSJKIKAZNFU-LRDDRELGSA-N 1 0 321.346 4.190 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1ccc(OCC#N)cc1 ZINC000180351608 333161186 /nfs/dbraw/zinc/16/11/86/333161186.db2.gz ICSPZDLFMLHXOQ-MRXNPFEDSA-N 1 0 306.409 4.319 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccc(OCC#N)cc1 ZINC000181552911 333170139 /nfs/dbraw/zinc/17/01/39/333170139.db2.gz QJZJVLRBBRTDCN-LSDHHAIUSA-N 1 0 312.388 4.010 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000181642930 333170924 /nfs/dbraw/zinc/17/09/24/333170924.db2.gz SEZDQEMYEXEULO-BEFAXECRSA-N 1 0 322.408 4.153 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000181754593 333172014 /nfs/dbraw/zinc/17/20/14/333172014.db2.gz BAIMABUPCIGQLH-VQIMIIECSA-N 1 0 323.440 4.340 20 30 DIEDRO Cc1c2ccccc2oc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181754175 333172186 /nfs/dbraw/zinc/17/21/86/333172186.db2.gz HAHCGKHOZULVMP-OAHLLOKOSA-N 1 0 320.392 4.494 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1cccc(Cl)c1Cl ZINC000183767633 333187622 /nfs/dbraw/zinc/18/76/22/333187622.db2.gz ADUBOBNSBDOXDC-JTQLQIEISA-N 1 0 303.258 4.291 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(C#N)cc3)c[nH]c2c1 ZINC000525879497 335122651 /nfs/dbraw/zinc/12/26/51/335122651.db2.gz VPLTUSARGYFVDN-HNNXBMFYSA-N 1 0 303.409 4.241 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000185422961 333208572 /nfs/dbraw/zinc/20/85/72/333208572.db2.gz LWAXFVQGIUNRLQ-HXUWFJFHSA-N 1 0 322.452 4.307 20 30 DIEDRO CC(C)(C)OCc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185807840 333214354 /nfs/dbraw/zinc/21/43/54/333214354.db2.gz GDPBJJKDQOHJFW-QAPCUYQASA-N 1 0 300.446 4.174 20 30 DIEDRO COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185819898 333214529 /nfs/dbraw/zinc/21/45/29/333214529.db2.gz SMKOVJCGHBHLRP-OWCLPIDISA-N 1 0 318.486 4.095 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185844959 333215101 /nfs/dbraw/zinc/21/51/01/333215101.db2.gz BVFWFYKRWOZCDW-FFGOWVMKSA-N 1 0 312.457 4.135 20 30 DIEDRO COc1ccccc1C[C@@H]([NH2+]CCCC(C)(C)C#N)C(C)C ZINC000185867075 333215210 /nfs/dbraw/zinc/21/52/10/333215210.db2.gz SYHPWHAYEPLRBH-QGZVFWFLSA-N 1 0 302.462 4.182 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000497263125 333228744 /nfs/dbraw/zinc/22/87/44/333228744.db2.gz SADWPCNZZMOJOP-BZNIZROVSA-N 1 0 320.845 4.139 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000514087973 333261921 /nfs/dbraw/zinc/26/19/21/333261921.db2.gz JOIDSSRBSGFPMG-XLIONFOSSA-N 1 0 311.473 4.085 20 30 DIEDRO CC[N@H+](CCCOc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497609006 333268546 /nfs/dbraw/zinc/26/85/46/333268546.db2.gz CXRIYOKWNUYPRS-QGZVFWFLSA-N 1 0 308.425 4.410 20 30 DIEDRO Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1Br ZINC000190317814 333269878 /nfs/dbraw/zinc/26/98/78/333269878.db2.gz OOHGBAMELZFDBY-UHFFFAOYSA-N 1 0 309.251 4.177 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000540397912 333272707 /nfs/dbraw/zinc/27/27/07/333272707.db2.gz NODAHXJNLPVTLI-BDJLRTHQSA-N 1 0 314.256 4.219 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192043482 333284789 /nfs/dbraw/zinc/28/47/89/333284789.db2.gz JTKMBWSIHKZDPO-JKSUJKDBSA-N 1 0 306.837 4.090 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390578774 333302814 /nfs/dbraw/zinc/30/28/14/333302814.db2.gz DJWBZAWRSKYNSE-HKUYNNGSSA-N 1 0 300.490 4.231 20 30 DIEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492609378 333305202 /nfs/dbraw/zinc/30/52/02/333305202.db2.gz SZJKAAVYJQTVDH-FZMZJTMJSA-N 1 0 307.235 4.084 20 30 DIEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000111258156 333328278 /nfs/dbraw/zinc/32/82/78/333328278.db2.gz KAPRIZZGBCITNY-INIZCTEOSA-N 1 0 314.473 4.343 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000188908539 333357576 /nfs/dbraw/zinc/35/75/76/333357576.db2.gz JAPIGYGOOURWCS-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO Cc1cc(C2CC[NH+](CCCC#N)CC2)ccc1Br ZINC000188199063 333360267 /nfs/dbraw/zinc/36/02/67/333360267.db2.gz NZEFYTZRPANJTA-UHFFFAOYSA-N 1 0 321.262 4.241 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000160958167 333369997 /nfs/dbraw/zinc/36/99/97/333369997.db2.gz QFZDTQNYANJXMW-DYVFJYSZSA-N 1 0 312.438 4.206 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463286546 333370537 /nfs/dbraw/zinc/37/05/37/333370537.db2.gz VYGPBPZIFYYRFG-ZBFHGGJFSA-N 1 0 306.837 4.089 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463286545 333370539 /nfs/dbraw/zinc/37/05/39/333370539.db2.gz VYGPBPZIFYYRFG-HOCLYGCPSA-N 1 0 306.837 4.089 20 30 DIEDRO CC(C)(C)c1ccc(OCC[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463295921 333371203 /nfs/dbraw/zinc/37/12/03/333371203.db2.gz QJSQYGOJIDASJM-WBVHZDCISA-N 1 0 300.446 4.035 20 30 DIEDRO C[N@H+](CCCNc1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000390773239 333392329 /nfs/dbraw/zinc/39/23/29/333392329.db2.gz XZDCPXBUNLKVOV-UHFFFAOYSA-N 1 0 313.832 4.146 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC[C@H](C)CC2)ccc1OC ZINC000518796508 333395336 /nfs/dbraw/zinc/39/53/36/333395336.db2.gz JUYVGUCHNUFWHQ-JCNLHEQBSA-N 1 0 303.446 4.318 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000319871897 333414521 /nfs/dbraw/zinc/41/45/21/333414521.db2.gz JCSCMHSJWGPHRI-UHFFFAOYSA-N 1 0 319.880 4.182 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000337372310 333447570 /nfs/dbraw/zinc/44/75/70/333447570.db2.gz PDVKAXIAVDOSBC-BXUZGUMPSA-N 1 0 310.235 4.217 20 30 DIEDRO C=C(C)[C@@H](N[C@H](C)c1nccn1CC)c1ccc(F)c(F)c1 ZINC000296316247 335143357 /nfs/dbraw/zinc/14/33/57/335143357.db2.gz FMQOECVFDCFDEH-MLGOLLRUSA-N 1 0 305.372 4.149 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000338794542 333498607 /nfs/dbraw/zinc/49/86/07/333498607.db2.gz PWJJLDMJDHBWFD-BMGDILEWSA-N 1 0 301.430 4.113 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(C#N)cc1 ZINC000338954003 333503133 /nfs/dbraw/zinc/50/31/33/333503133.db2.gz VISIBTOYQFCOOX-INIZCTEOSA-N 1 0 319.408 4.092 20 30 DIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+][C@H]3CC[C@H](C#N)C3)cc2)cs1 ZINC000339066530 333507973 /nfs/dbraw/zinc/50/79/73/333507973.db2.gz FSQZZYZAAVSWBV-JDFRZJQESA-N 1 0 311.454 4.461 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)CC)c1ccc(C(F)(F)F)cc1 ZINC000339074430 333508295 /nfs/dbraw/zinc/50/82/95/333508295.db2.gz MFVBHTPHFKENRQ-LSDHHAIUSA-N 1 0 301.352 4.073 20 30 DIEDRO CCC1(C[NH2+]Cc2cccc(OCCCC#N)c2)CCCC1 ZINC000531609462 333537738 /nfs/dbraw/zinc/53/77/38/333537738.db2.gz MFWDBCLWEQHRCL-UHFFFAOYSA-N 1 0 300.446 4.429 20 30 DIEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000563353315 333594939 /nfs/dbraw/zinc/59/49/39/333594939.db2.gz NQWIUXKCZZQTMT-NXOUGTEYSA-N 1 0 311.816 4.094 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2cc3ccccc3s2)c(F)c1 ZINC000563502019 333616438 /nfs/dbraw/zinc/61/64/38/333616438.db2.gz ANAGVYQVSHMBPM-UHFFFAOYSA-N 1 0 310.397 4.244 20 30 DIEDRO COc1cc(C[N@H+](Cc2cccc(F)c2)C(C)C)ccc1C#N ZINC000442818262 335151806 /nfs/dbraw/zinc/15/18/06/335151806.db2.gz ZYPYJZKDSJIZLN-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO N#CC1(CCN2CC[NH+](CC3CCCCC3)CC2)CCCCC1 ZINC000411194098 333641244 /nfs/dbraw/zinc/64/12/44/333641244.db2.gz GIODQQOCBJQQCK-UHFFFAOYSA-N 1 0 317.521 4.048 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411366817 333659489 /nfs/dbraw/zinc/65/94/89/333659489.db2.gz QFBKWBUACQJCKT-GUDVDZBRSA-N 1 0 317.521 4.188 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCCO)c1ccc(C(F)(F)F)cc1 ZINC000411488466 333680519 /nfs/dbraw/zinc/68/05/19/333680519.db2.gz YTJNIBLIASXCPY-OAHLLOKOSA-N 1 0 301.352 4.075 20 30 DIEDRO CC1CC[NH+](CCc2cccc(N[C@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442828924 335157676 /nfs/dbraw/zinc/15/76/76/335157676.db2.gz SQXXQIRTSBNVBJ-QUCCMNQESA-N 1 0 311.473 4.065 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000343439145 335164634 /nfs/dbraw/zinc/16/46/34/335164634.db2.gz GSAPBLHEOHRRAN-WCIQWLHISA-N 1 0 312.457 4.216 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000343439148 335164750 /nfs/dbraw/zinc/16/47/50/335164750.db2.gz GSAPBLHEOHRRAN-WTGUMLROSA-N 1 0 312.457 4.216 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)CC#N)CCCS2 ZINC000414161614 333915177 /nfs/dbraw/zinc/91/51/77/333915177.db2.gz FTWCZCBEYBSLSE-HNNXBMFYSA-N 1 0 304.459 4.152 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1OCC ZINC000414165054 333915999 /nfs/dbraw/zinc/91/59/99/333915999.db2.gz KZXAFPWZUCOIFR-CQSZACIVSA-N 1 0 304.434 4.074 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000343419549 335163447 /nfs/dbraw/zinc/16/34/47/335163447.db2.gz LVIBHBCRKVJNIW-QGZVFWFLSA-N 1 0 324.449 4.052 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C1 ZINC000414232120 333927009 /nfs/dbraw/zinc/92/70/09/333927009.db2.gz HXDRKBMILYXOMD-UONOGXRCSA-N 1 0 304.384 4.058 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000414497590 333998298 /nfs/dbraw/zinc/99/82/98/333998298.db2.gz GHUNLOZGDVUMPU-ZFWWWQNUSA-N 1 0 300.789 4.231 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000414540647 334013179 /nfs/dbraw/zinc/01/31/79/334013179.db2.gz USPSZMNBKNLHGI-SFHVURJKSA-N 1 0 309.457 4.051 20 30 DIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000271183693 334019780 /nfs/dbraw/zinc/01/97/80/334019780.db2.gz LMZRUUNHNWLSJB-KRWDZBQOSA-N 1 0 324.472 4.139 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000271434692 334023283 /nfs/dbraw/zinc/02/32/83/334023283.db2.gz BNQBVGMNXPLREZ-MGPUTAFESA-N 1 0 306.409 4.412 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000271517154 334024035 /nfs/dbraw/zinc/02/40/35/334024035.db2.gz UFMYWQVEBJYVLU-HUUCEWRRSA-N 1 0 312.388 4.448 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000271517195 334024049 /nfs/dbraw/zinc/02/40/49/334024049.db2.gz UHHRIDYTIJMYGG-UXHICEINSA-N 1 0 306.409 4.015 20 30 DIEDRO COc1cccc(C2([NH2+]Cc3ccccc3C(C)(C)C#N)CC2)c1 ZINC000271724026 334026121 /nfs/dbraw/zinc/02/61/21/334026121.db2.gz QRWUUCSEEYZPOU-UHFFFAOYSA-N 1 0 320.436 4.275 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271790817 334026921 /nfs/dbraw/zinc/02/69/21/334026921.db2.gz NHXWAWPISWFZHZ-UHFFFAOYSA-N 1 0 315.420 4.138 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000271823426 334027517 /nfs/dbraw/zinc/02/75/17/334027517.db2.gz SIXWAOWQNBVDKF-FQEVSTJZSA-N 1 0 322.452 4.091 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000271823429 334027568 /nfs/dbraw/zinc/02/75/68/334027568.db2.gz SIXWAOWQNBVDKF-HXUWFJFHSA-N 1 0 322.452 4.091 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000271993216 334029355 /nfs/dbraw/zinc/02/93/55/334029355.db2.gz FMXUSPIZQPMTGI-HOTGVXAUSA-N 1 0 320.502 4.356 20 30 DIEDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267886 334032157 /nfs/dbraw/zinc/03/21/57/334032157.db2.gz MSCJSKYQGNPKIA-MRXNPFEDSA-N 1 0 319.452 4.354 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCSc4ccccc43)CC2)c1 ZINC000272272648 334032623 /nfs/dbraw/zinc/03/26/23/334032623.db2.gz NMLVAXPCDLRDEU-KRWDZBQOSA-N 1 0 306.434 4.374 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CCC2 ZINC000272330382 334033171 /nfs/dbraw/zinc/03/31/71/334033171.db2.gz XSXJZHMRQPLSCF-INIZCTEOSA-N 1 0 323.465 4.233 20 30 DIEDRO C[C@H]([NH2+]CCCC#N)c1cc2cc(Br)ccc2o1 ZINC000273310481 334045224 /nfs/dbraw/zinc/04/52/24/334045224.db2.gz WNGPXJBPLYPCJR-JTQLQIEISA-N 1 0 307.191 4.150 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1C ZINC000273332552 334045419 /nfs/dbraw/zinc/04/54/19/334045419.db2.gz JHPOBRHBKQJLKR-MRXNPFEDSA-N 1 0 324.424 4.065 20 30 DIEDRO C[N@H+](CC(C)(C)CCC#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273476935 334047919 /nfs/dbraw/zinc/04/79/19/334047919.db2.gz KLLLGCYSOAPEBP-MSOLQXFVSA-N 1 0 318.436 4.308 20 30 DIEDRO C[C@@H]1C[C@H](Nc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000273769952 334050902 /nfs/dbraw/zinc/05/09/02/334050902.db2.gz QNNREZFMGUVOCB-DYESRHJHSA-N 1 0 319.452 4.218 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000437584370 334053337 /nfs/dbraw/zinc/05/33/37/334053337.db2.gz ROMGSQRSRQCTFT-CYBMUJFWSA-N 1 0 300.352 4.072 20 30 DIEDRO N#CCOc1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000274937052 334067942 /nfs/dbraw/zinc/06/79/42/334067942.db2.gz ADLXTBCPVCBWNX-UHFFFAOYSA-N 1 0 312.438 4.030 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000277589136 334089064 /nfs/dbraw/zinc/08/90/64/334089064.db2.gz DCBHFWBWCGABLR-QGZVFWFLSA-N 1 0 324.472 4.221 20 30 DIEDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCCC(C)(C)C#N ZINC000277830735 334091316 /nfs/dbraw/zinc/09/13/16/334091316.db2.gz WCOWTVFPGHZRDC-OYHNWAKOSA-N 1 0 320.502 4.137 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1cnn(-c2ccccc2)c1 ZINC000278142981 334093043 /nfs/dbraw/zinc/09/30/43/334093043.db2.gz NPNYGASZFWUOAA-UHFFFAOYSA-N 1 0 310.445 4.024 20 30 DIEDRO CC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(C#N)cc1 ZINC000278330503 334095065 /nfs/dbraw/zinc/09/50/65/334095065.db2.gz WGDGZQNHBDBSGN-KRWDZBQOSA-N 1 0 318.424 4.108 20 30 DIEDRO CC(C)(C)CC[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000438193428 334096420 /nfs/dbraw/zinc/09/64/20/334096420.db2.gz VDHUABLHQQCQTK-UHFFFAOYSA-N 1 0 300.446 4.274 20 30 DIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H]4CC[C@H](C#N)C4)CC3)c2c1 ZINC000278560572 334098120 /nfs/dbraw/zinc/09/81/20/334098120.db2.gz IIRIZRJUKDLRJL-GOEBONIOSA-N 1 0 323.440 4.048 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278609658 334098687 /nfs/dbraw/zinc/09/86/87/334098687.db2.gz MMXNOWDSLWTIKA-DOTOQJQBSA-N 1 0 307.441 4.348 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000278613490 334098796 /nfs/dbraw/zinc/09/87/96/334098796.db2.gz FOMJMXMYUALPFQ-PKOBYXMFSA-N 1 0 314.473 4.464 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(-n2cccn2)c1 ZINC000278648300 334099158 /nfs/dbraw/zinc/09/91/58/334099158.db2.gz HGWSYJUXDCBPSZ-INIZCTEOSA-N 1 0 310.445 4.243 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000278720286 334100457 /nfs/dbraw/zinc/10/04/57/334100457.db2.gz KOXZNBQCVCDLKL-DLBZAZTESA-N 1 0 322.399 4.104 20 30 DIEDRO CC[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000278833352 334101991 /nfs/dbraw/zinc/10/19/91/334101991.db2.gz QJKWZEVYKXEXHP-INIZCTEOSA-N 1 0 303.406 4.356 20 30 DIEDRO Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccccn2)cc1 ZINC000279574324 334110166 /nfs/dbraw/zinc/11/01/66/334110166.db2.gz AWMDMMCAKDDNOL-POAQFYNOSA-N 1 0 305.425 4.151 20 30 DIEDRO C[C@@H](Nc1ccc(CC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280893658 334120733 /nfs/dbraw/zinc/12/07/33/334120733.db2.gz DIMQOXOLRMRWFV-XLIONFOSSA-N 1 0 319.452 4.075 20 30 DIEDRO C=C(C)C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281228819 334124344 /nfs/dbraw/zinc/12/43/44/334124344.db2.gz FGIKEYAWEDABSC-UHFFFAOYSA-N 1 0 312.457 4.165 20 30 DIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000281509004 334126632 /nfs/dbraw/zinc/12/66/32/334126632.db2.gz HDERJJJYPQPLOI-RBUKOAKNSA-N 1 0 324.399 4.456 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000281652266 334127617 /nfs/dbraw/zinc/12/76/17/334127617.db2.gz KCJLWTNWIFQQCO-UHFFFAOYSA-N 1 0 312.335 4.005 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(OCc2ccccn2)c1 ZINC000281957307 334129921 /nfs/dbraw/zinc/12/99/21/334129921.db2.gz MOWIDRVHLBPQID-XYJFISCASA-N 1 0 321.424 4.003 20 30 DIEDRO CCc1ccc([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000282011292 334130384 /nfs/dbraw/zinc/13/03/84/334130384.db2.gz OKUNHDXWBOJEBH-INIZCTEOSA-N 1 0 300.446 4.000 20 30 DIEDRO CC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000282086466 334131146 /nfs/dbraw/zinc/13/11/46/334131146.db2.gz UXJKKADZGAHBBA-KRWDZBQOSA-N 1 0 320.864 4.481 20 30 DIEDRO Cc1ccc([C@@H](C)[N@H+](C)CCCC2(C#N)CCOCC2)c(C)c1 ZINC000282118897 334131437 /nfs/dbraw/zinc/13/14/37/334131437.db2.gz XOVDFDOSMPAPBD-GOSISDBHSA-N 1 0 314.473 4.397 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000282132352 334131828 /nfs/dbraw/zinc/13/18/28/334131828.db2.gz YXYACQUHKWLRII-IBGZPJMESA-N 1 0 314.473 4.040 20 30 DIEDRO Cc1ccccc1[C@H](C)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000282130566 334131856 /nfs/dbraw/zinc/13/18/56/334131856.db2.gz YSBVSDMRTMKIGZ-KRWDZBQOSA-N 1 0 300.446 4.088 20 30 DIEDRO N#CCSCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282508119 334135324 /nfs/dbraw/zinc/13/53/24/334135324.db2.gz RQDYQRQLQYXNCW-BCDXTJNWSA-N 1 0 300.471 4.044 20 30 DIEDRO N#CCCCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284099520 334142459 /nfs/dbraw/zinc/14/24/59/334142459.db2.gz WEICQBLIVQEYKP-UHFFFAOYSA-N 1 0 305.834 4.247 20 30 DIEDRO CC1(C)C[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1cccs1 ZINC000286927153 334155171 /nfs/dbraw/zinc/15/51/71/334155171.db2.gz KWYHSPYZZCGZRK-MRXNPFEDSA-N 1 0 318.486 4.232 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(Oc2cccnc2)cc1 ZINC000289395547 334164731 /nfs/dbraw/zinc/16/47/31/334164731.db2.gz KLLVPCFHFNMHIS-OAHLLOKOSA-N 1 0 309.413 4.464 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290101488 334170871 /nfs/dbraw/zinc/17/08/71/334170871.db2.gz ITCHHAXCTYJOOG-GOSISDBHSA-N 1 0 312.457 4.000 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000290249383 334171998 /nfs/dbraw/zinc/17/19/98/334171998.db2.gz JTQXLEWZECFYRJ-JFIBYHEFSA-N 1 0 307.441 4.465 20 30 DIEDRO CCc1nc(C)c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)o1 ZINC000291979088 334183681 /nfs/dbraw/zinc/18/36/81/334183681.db2.gz VEIOHXWTGKQNLR-UHFFFAOYSA-N 1 0 323.440 4.039 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292262915 334186189 /nfs/dbraw/zinc/18/61/89/334186189.db2.gz YVTNNKZFOGHCLX-UHFFFAOYSA-N 1 0 303.406 4.140 20 30 DIEDRO COC1(C[C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)CCC1 ZINC000340429669 334198131 /nfs/dbraw/zinc/19/81/31/334198131.db2.gz CKGMLLCRCIOPFN-SJLPKXTDSA-N 1 0 300.446 4.359 20 30 DIEDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340437657 334201228 /nfs/dbraw/zinc/20/12/28/334201228.db2.gz VXTMBEKJFKDZJT-WBVHZDCISA-N 1 0 316.445 4.131 20 30 DIEDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340437655 334201259 /nfs/dbraw/zinc/20/12/59/334201259.db2.gz VXTMBEKJFKDZJT-NVXWUHKLSA-N 1 0 316.445 4.131 20 30 DIEDRO CC(C)n1ccc(C[C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000340441725 334202280 /nfs/dbraw/zinc/20/22/80/334202280.db2.gz DKEBXSRBXUFAGO-PXNSSMCTSA-N 1 0 324.472 4.420 20 30 DIEDRO CC(C)n1ccc(C[C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000340441720 334202426 /nfs/dbraw/zinc/20/24/26/334202426.db2.gz DKEBXSRBXUFAGO-FXAWDEMLSA-N 1 0 324.472 4.420 20 30 DIEDRO CCc1noc(C)c1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000293849982 334202831 /nfs/dbraw/zinc/20/28/31/334202831.db2.gz YGGXNLVZXCQMIP-UHFFFAOYSA-N 1 0 323.440 4.039 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C12CCC2 ZINC000340448015 334204525 /nfs/dbraw/zinc/20/45/25/334204525.db2.gz INENYVATBZDLLV-GBESFXJTSA-N 1 0 312.457 4.359 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1Oc1cccnc1 ZINC000295005461 334215371 /nfs/dbraw/zinc/21/53/71/334215371.db2.gz IXLFKYSGKDNNHN-WMZOPIPTSA-N 1 0 321.424 4.354 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Br)c1 ZINC000295008383 334215508 /nfs/dbraw/zinc/21/55/08/334215508.db2.gz JEOUUQXUTXEMDA-WWGRRREGSA-N 1 0 321.262 4.225 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Br)c1 ZINC000295008384 334215544 /nfs/dbraw/zinc/21/55/44/334215544.db2.gz JEOUUQXUTXEMDA-XEZPLFJOSA-N 1 0 321.262 4.225 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000295019680 334215611 /nfs/dbraw/zinc/21/56/11/334215611.db2.gz KLTLWEIZMPYYHZ-WFASDCNBSA-N 1 0 315.417 4.121 20 30 DIEDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(C#N)s1 ZINC000295058466 334216547 /nfs/dbraw/zinc/21/65/47/334216547.db2.gz GJGYMBFMNXGAIJ-HBNTYKKESA-N 1 0 302.365 4.171 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000295119433 334218965 /nfs/dbraw/zinc/21/89/65/334218965.db2.gz WIMUHUCVMVENBD-GJZGRUSLSA-N 1 0 317.864 4.112 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000295125386 334219093 /nfs/dbraw/zinc/21/90/93/334219093.db2.gz XGHCOCXVONLPCL-STQMWFEESA-N 1 0 316.351 4.397 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000295128567 334219094 /nfs/dbraw/zinc/21/90/94/334219094.db2.gz XQUFUOMKZDXCQW-KBXIAJHMSA-N 1 0 313.470 4.460 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H](C)c1nc2ccccc2s1 ZINC000295128566 334219121 /nfs/dbraw/zinc/21/91/21/334219121.db2.gz XQUFUOMKZDXCQW-AJNGGQMLSA-N 1 0 313.470 4.460 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000295126358 334219148 /nfs/dbraw/zinc/21/91/48/334219148.db2.gz XKARXYAKWWFMRE-JQWIXIFHSA-N 1 0 314.763 4.113 20 30 DIEDRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCCC#N ZINC000295176533 334220330 /nfs/dbraw/zinc/22/03/30/334220330.db2.gz MECOVDULYWCZFP-LLVKDONJSA-N 1 0 301.217 4.044 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(OC(F)(F)F)c1 ZINC000296279016 334231313 /nfs/dbraw/zinc/23/13/13/334231313.db2.gz DYKZPNWFIYRLCN-OBJOEFQTSA-N 1 0 312.335 4.318 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000296393378 334233470 /nfs/dbraw/zinc/23/34/70/334233470.db2.gz KDZTUWMXAFZSMM-PJODQICGSA-N 1 0 319.246 4.108 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1OC(F)F ZINC000296647659 334235650 /nfs/dbraw/zinc/23/56/50/334235650.db2.gz YQNJVSHHDKBZAW-YDHLFZDLSA-N 1 0 308.372 4.411 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1Br ZINC000296659100 334235861 /nfs/dbraw/zinc/23/58/61/334235861.db2.gz ZPYHSWJYIMRNKF-AVGNSLFASA-N 1 0 307.235 4.182 20 30 DIEDRO N#CCCCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000297897927 334244803 /nfs/dbraw/zinc/24/48/03/334244803.db2.gz VZIYRYVFOKHSRI-INIZCTEOSA-N 1 0 321.262 4.054 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CCC#N)ccc1OCC(C)C ZINC000299519806 334255946 /nfs/dbraw/zinc/25/59/46/334255946.db2.gz CVYABYQUVPJVHF-LSDHHAIUSA-N 1 0 304.434 4.073 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000537961566 334266153 /nfs/dbraw/zinc/26/61/53/334266153.db2.gz OUGNWPYJFHKAHB-AWEZNQCLSA-N 1 0 315.379 4.209 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1Br)c1cccc(C#N)c1 ZINC000048820186 334301371 /nfs/dbraw/zinc/30/13/71/334301371.db2.gz KTSHCQACNKVSMA-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000531951290 334309079 /nfs/dbraw/zinc/30/90/79/334309079.db2.gz VDVSRQAOBWRHTR-HUUCEWRRSA-N 1 0 323.396 4.138 20 30 DIEDRO CC(C)(C#N)CC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000534951940 334352266 /nfs/dbraw/zinc/35/22/66/334352266.db2.gz QSONIHZWXZTLAY-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000341540980 334456111 /nfs/dbraw/zinc/45/61/11/334456111.db2.gz ZPUQBLBTQSJFDL-UHFFFAOYSA-N 1 0 322.452 4.334 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000341683760 334469885 /nfs/dbraw/zinc/46/98/85/334469885.db2.gz MVWTZARQKYIHJB-UXHICEINSA-N 1 0 306.384 4.352 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341682975 334469941 /nfs/dbraw/zinc/46/99/41/334469941.db2.gz KLXBRULJBXSZSJ-ORAYPTAESA-N 1 0 324.399 4.434 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000341752721 334476716 /nfs/dbraw/zinc/47/67/16/334476716.db2.gz WSOFBSANSDUDFL-VQTJNVASSA-N 1 0 306.384 4.352 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc2ccccc2o1 ZINC000341760410 334478039 /nfs/dbraw/zinc/47/80/39/334478039.db2.gz LMPLDVOQXVHIQN-IBGZPJMESA-N 1 0 302.377 4.472 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000341886437 334489744 /nfs/dbraw/zinc/48/97/44/334489744.db2.gz NPGIKIVDNZXVPD-SWLSCSKDSA-N 1 0 311.878 4.041 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000342293164 334525616 /nfs/dbraw/zinc/52/56/16/334525616.db2.gz ALSSOOOMGRKAIB-UHFFFAOYSA-N 1 0 302.315 4.264 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342711110 334567800 /nfs/dbraw/zinc/56/78/00/334567800.db2.gz VDJXKXFYMOCAOJ-LJQANCHMSA-N 1 0 318.424 4.083 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415588639 334616004 /nfs/dbraw/zinc/61/60/04/334616004.db2.gz XVVIHIBUUWZBNE-MRXNPFEDSA-N 1 0 317.477 4.033 20 30 DIEDRO C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415915620 334628367 /nfs/dbraw/zinc/62/83/67/334628367.db2.gz ZPQNXHMJHNXGMM-UHFFFAOYSA-N 1 0 315.461 4.006 20 30 DIEDRO Cc1ccc(-c2ncc(C[NH2+]CC3CCC(C#N)CC3)s2)o1 ZINC000441378564 334709583 /nfs/dbraw/zinc/70/95/83/334709583.db2.gz HUFJTOFGRNRQHU-UHFFFAOYSA-N 1 0 315.442 4.131 20 30 DIEDRO COc1ccsc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417362240 334739290 /nfs/dbraw/zinc/73/92/90/334739290.db2.gz JLKGUQCBHAOWLM-WBMJQRKESA-N 1 0 312.438 4.357 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cn1 ZINC000417374644 334765301 /nfs/dbraw/zinc/76/53/01/334765301.db2.gz YHPADSZTBJBORL-SGTLLEGYSA-N 1 0 311.816 4.335 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000417376849 334765629 /nfs/dbraw/zinc/76/56/29/334765629.db2.gz CLBLKIZPISMVPT-LEWJYISDSA-N 1 0 318.420 4.221 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C3CC3)cc1F)CC2 ZINC000425936707 334774679 /nfs/dbraw/zinc/77/46/79/334774679.db2.gz JIQOAFNULOJMGN-FQEVSTJZSA-N 1 0 306.384 4.352 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)ccc1C#N ZINC000443978171 338465013 /nfs/dbraw/zinc/46/50/13/338465013.db2.gz GYQQLPRGZUOGNY-SFHVURJKSA-N 1 0 324.399 4.398 20 30 DIEDRO Cc1cc(C[NH2+]CCCCCOC2CCCCC2)ccc1C#N ZINC000443982611 338465388 /nfs/dbraw/zinc/46/53/88/338465388.db2.gz DMLBZVYHGVQRED-UHFFFAOYSA-N 1 0 314.473 4.476 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H](Nc2ccccc2)C(C)C)ccc1C#N ZINC000443984200 338465435 /nfs/dbraw/zinc/46/54/35/338465435.db2.gz HZCGQNXSWVIONB-HXUWFJFHSA-N 1 0 307.441 4.093 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)c2ccsc2S1 ZINC000343622844 335182154 /nfs/dbraw/zinc/18/21/54/335182154.db2.gz VMYSIFVBHMYNOQ-MLGOLLRUSA-N 1 0 314.479 4.377 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1OC ZINC000343674106 335187238 /nfs/dbraw/zinc/18/72/38/335187238.db2.gz AGSWSAZVHHZAFC-OAHLLOKOSA-N 1 0 324.424 4.011 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+][C@@H](C)c3cccc(C#N)c3)o2)cs1 ZINC000344085009 335216515 /nfs/dbraw/zinc/21/65/15/335216515.db2.gz LFSPPGWXOQRYOA-LBPRGKRZSA-N 1 0 323.421 4.434 20 30 DIEDRO N#CCCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000344311152 335239777 /nfs/dbraw/zinc/23/97/77/335239777.db2.gz WOWNOWANSFURRH-UHFFFAOYSA-N 1 0 308.303 4.359 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[C@H]1OC ZINC000344328682 335241161 /nfs/dbraw/zinc/24/11/61/335241161.db2.gz LZXBNGCCOKFSJO-RCCFBDPRSA-N 1 0 300.446 4.215 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)s1 ZINC000345692426 335342493 /nfs/dbraw/zinc/34/24/93/335342493.db2.gz LSBUUEBHSQNCDE-HNNXBMFYSA-N 1 0 318.829 4.277 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(C#N)c(F)c1 ZINC000346200064 335389470 /nfs/dbraw/zinc/38/94/70/335389470.db2.gz QYVDPRHMYXRQGE-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(C#N)c(F)c1 ZINC000346200066 335389543 /nfs/dbraw/zinc/38/95/43/335389543.db2.gz QYVDPRHMYXRQGE-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO C=C(C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000346774607 335439678 /nfs/dbraw/zinc/43/96/78/335439678.db2.gz FMIAPVWTFMSLPE-SFHVURJKSA-N 1 0 311.425 4.458 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000346781178 335440281 /nfs/dbraw/zinc/44/02/81/335440281.db2.gz PUQBVRZVTXLHOS-KRWDZBQOSA-N 1 0 320.436 4.177 20 30 DIEDRO Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]CCCC#N ZINC000346839403 335445224 /nfs/dbraw/zinc/44/52/24/335445224.db2.gz SPEFWXBUGBFBSZ-KRWDZBQOSA-N 1 0 300.446 4.400 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(OC)c(OC)c1 ZINC000348216556 335562240 /nfs/dbraw/zinc/56/22/40/335562240.db2.gz OQEAMIVLBYQZJP-OAHLLOKOSA-N 1 0 304.434 4.074 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000191156527 335624327 /nfs/dbraw/zinc/62/43/27/335624327.db2.gz MIUHURJPWLQMRB-NSHDSACASA-N 1 0 308.303 4.063 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000093492030 335652818 /nfs/dbraw/zinc/65/28/18/335652818.db2.gz IYBDCIQECNLXRH-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000349443701 335672394 /nfs/dbraw/zinc/67/23/94/335672394.db2.gz AGXFSINONRRUPW-BXUZGUMPSA-N 1 0 310.235 4.217 20 30 DIEDRO CSc1cccc(F)c1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000583594592 335753357 /nfs/dbraw/zinc/75/33/57/335753357.db2.gz CVSQETSXWHZNSR-QGZVFWFLSA-N 1 0 312.413 4.196 20 30 DIEDRO C[C@@H](Cc1ccncc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350473824 335756099 /nfs/dbraw/zinc/75/60/99/335756099.db2.gz FWBWDWHZKWTLKZ-RPCJCACASA-N 1 0 319.452 4.006 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000519294660 335829936 /nfs/dbraw/zinc/82/99/36/335829936.db2.gz VONNKDDDYLGHCJ-RDJZCZTQSA-N 1 0 316.408 4.012 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)s1 ZINC000519691863 335889621 /nfs/dbraw/zinc/88/96/21/335889621.db2.gz HIXFTVFDJBXOGW-HAQNSBGRSA-N 1 0 302.830 4.309 20 30 DIEDRO CC(C)(C)OC1CC(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000520463987 335980364 /nfs/dbraw/zinc/98/03/64/335980364.db2.gz ROZKUTHQPPSOOG-ITXXBFQVSA-N 1 0 312.457 4.119 20 30 DIEDRO COc1cccc2c1CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)C2 ZINC000192445970 336032964 /nfs/dbraw/zinc/03/29/64/336032964.db2.gz RJOXQMLEDTYQDK-QUCCMNQESA-N 1 0 320.436 4.187 20 30 DIEDRO CC[N@H+](Cc1cnc2cccc(C)n12)[C@H](C)c1ccc(C#N)cc1 ZINC000351606840 336049496 /nfs/dbraw/zinc/04/94/96/336049496.db2.gz GOOVBFWYRTVRNN-MRXNPFEDSA-N 1 0 318.424 4.098 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000445892160 338514593 /nfs/dbraw/zinc/51/45/93/338514593.db2.gz ZMYOGKGTOGXYFO-CQSZACIVSA-N 1 0 303.755 4.258 20 30 DIEDRO Cc1cnc([C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)o1 ZINC000332134439 336159881 /nfs/dbraw/zinc/15/98/81/336159881.db2.gz KRSBOLJGLDXYNJ-LSJNQWAISA-N 1 0 309.413 4.038 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)n1 ZINC000532538228 336255355 /nfs/dbraw/zinc/25/53/55/336255355.db2.gz DQVBLQPLNVUJHI-IBGZPJMESA-N 1 0 310.828 4.232 20 30 DIEDRO CCc1cccc2c(CC[NH2+]Cc3ccc(C#N)cc3F)c[nH]c21 ZINC000532568512 336255757 /nfs/dbraw/zinc/25/57/57/336255757.db2.gz NNTHKMKKYFFPFW-UHFFFAOYSA-N 1 0 321.399 4.073 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CCO1 ZINC000580381723 336262870 /nfs/dbraw/zinc/26/28/70/336262870.db2.gz SJSUVQIQHVETNW-IHPCNDPISA-N 1 0 312.457 4.119 20 30 DIEDRO CC1([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCC1 ZINC000532857170 336273240 /nfs/dbraw/zinc/27/32/40/336273240.db2.gz WTYHONFHGMDNOG-UHFFFAOYSA-N 1 0 306.409 4.169 20 30 DIEDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000352863258 336282867 /nfs/dbraw/zinc/28/28/67/336282867.db2.gz TXRDFJOECOAZAC-DYVFJYSZSA-N 1 0 311.454 4.031 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352863874 336283040 /nfs/dbraw/zinc/28/30/40/336283040.db2.gz XKTYDMYOWYACDM-UHFFFAOYSA-N 1 0 302.365 4.186 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccc(OCC#N)cc1 ZINC000192977453 336286336 /nfs/dbraw/zinc/28/63/36/336286336.db2.gz RZZXYWIWTHCNRK-CHWSQXEVSA-N 1 0 316.351 4.279 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(OCC#N)cc1 ZINC000192977426 336286394 /nfs/dbraw/zinc/28/63/94/336286394.db2.gz RZZXYWIWTHCNRK-OLZOCXBDSA-N 1 0 316.351 4.279 20 30 DIEDRO N#Cc1ccc(NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000301116204 336290662 /nfs/dbraw/zinc/29/06/62/336290662.db2.gz ZCUGFAXJDDGVNH-UHFFFAOYSA-N 1 0 305.425 4.156 20 30 DIEDRO N#Cc1cccc(Cl)c1NC[C@@H](c1ccco1)N1CCCC1 ZINC000301168396 336292981 /nfs/dbraw/zinc/29/29/81/336292981.db2.gz FKTDROMZRMVYIL-HNNXBMFYSA-N 1 0 315.804 4.054 20 30 DIEDRO N#Cc1ccc(Cl)cc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000301171295 336293141 /nfs/dbraw/zinc/29/31/41/336293141.db2.gz GLXMHBLCCMYCGF-INIZCTEOSA-N 1 0 315.804 4.054 20 30 DIEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000301440152 336306973 /nfs/dbraw/zinc/30/69/73/336306973.db2.gz UADIMPCRMVWGID-CRAIPNDOSA-N 1 0 311.454 4.115 20 30 DIEDRO N#Cc1ccc(NC2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000301524128 336312420 /nfs/dbraw/zinc/31/24/20/336312420.db2.gz GXGTYMFPMVYINQ-UHFFFAOYSA-N 1 0 317.864 4.421 20 30 DIEDRO CCCC[N@H+](C)CC1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000301526091 336312527 /nfs/dbraw/zinc/31/25/27/336312527.db2.gz NKPFQVWZZGGOBX-UHFFFAOYSA-N 1 0 319.880 4.160 20 30 DIEDRO C[NH+](C)Cc1ccc(CNc2cc(Cl)ccc2C#N)cc1F ZINC000301851689 336334188 /nfs/dbraw/zinc/33/41/88/336334188.db2.gz BJRVGPDGDLREEC-UHFFFAOYSA-N 1 0 317.795 4.024 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000352902451 336375521 /nfs/dbraw/zinc/37/55/21/336375521.db2.gz NBNZUNVCEMGGPI-UHFFFAOYSA-N 1 0 303.837 4.214 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC3(CC3)CC2)c(C(F)(F)F)c1 ZINC000352935843 336378282 /nfs/dbraw/zinc/37/82/82/336378282.db2.gz JKSLJDNWAMCVOX-UHFFFAOYSA-N 1 0 308.347 4.389 20 30 DIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353011122 336381949 /nfs/dbraw/zinc/38/19/49/336381949.db2.gz XXMAACAZYWHMRJ-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cccc(Cl)c1 ZINC000353611428 336428770 /nfs/dbraw/zinc/42/87/70/336428770.db2.gz PILWBRHIALZUQE-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO Cc1cc2cc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)ccc2[nH]1 ZINC000353622994 336429478 /nfs/dbraw/zinc/42/94/78/336429478.db2.gz DRDPHBMTPRSIKQ-HXUWFJFHSA-N 1 0 301.393 4.125 20 30 DIEDRO Cn1cnc2cc(C[NH2+][C@H](CCCC#N)c3ccccc3)ccc21 ZINC000353910864 336447390 /nfs/dbraw/zinc/44/73/90/336447390.db2.gz AJDADCVNGSJSQB-GOSISDBHSA-N 1 0 318.424 4.098 20 30 DIEDRO CCOc1cccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000353916240 336447986 /nfs/dbraw/zinc/44/79/86/336447986.db2.gz PLCNPEDVMJZCBE-SFHVURJKSA-N 1 0 309.413 4.005 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000356782045 336560808 /nfs/dbraw/zinc/56/08/08/336560808.db2.gz KHSVMHHVININDX-AEFFLSMTSA-N 1 0 323.465 4.368 20 30 DIEDRO C=CCC[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccccc1 ZINC000358179921 336615331 /nfs/dbraw/zinc/61/53/31/336615331.db2.gz RKEICMAJHWSKCU-SIKLNZKXSA-N 1 0 313.466 4.091 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000358361239 336626405 /nfs/dbraw/zinc/62/64/05/336626405.db2.gz DEHSHIZUUBQCQE-MRXNPFEDSA-N 1 0 309.837 4.044 20 30 DIEDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000358508785 336633081 /nfs/dbraw/zinc/63/30/81/336633081.db2.gz MAZVHFHLOGVRIQ-MRXNPFEDSA-N 1 0 323.440 4.177 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)CCC2 ZINC000359677494 336682955 /nfs/dbraw/zinc/68/29/55/336682955.db2.gz MEZIQZKCWQPBCQ-FQEVSTJZSA-N 1 0 307.441 4.187 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(Cl)cn1 ZINC000360649757 336717404 /nfs/dbraw/zinc/71/74/04/336717404.db2.gz WAMYFOZFCPQWQN-GOSISDBHSA-N 1 0 311.816 4.164 20 30 DIEDRO CO[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655119 336717579 /nfs/dbraw/zinc/71/75/79/336717579.db2.gz BSSVZRFAPYBVBP-LEWJYISDSA-N 1 0 320.436 4.303 20 30 DIEDRO COC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655681 336717602 /nfs/dbraw/zinc/71/76/02/336717602.db2.gz DRQISZQAFNORKX-RTWAWAEBSA-N 1 0 320.436 4.303 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 ZINC000360654977 336717639 /nfs/dbraw/zinc/71/76/39/336717639.db2.gz BCLRZMGDBGMVLD-WOJBJXKFSA-N 1 0 305.425 4.462 20 30 DIEDRO COCc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360838840 336723829 /nfs/dbraw/zinc/72/38/29/336723829.db2.gz VNJDISWVFIKEBX-NRFANRHFSA-N 1 0 320.436 4.262 20 30 DIEDRO COc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360838855 336723961 /nfs/dbraw/zinc/72/39/61/336723961.db2.gz VQCXYARBOVQINJ-FQEVSTJZSA-N 1 0 306.409 4.124 20 30 DIEDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360842343 336724136 /nfs/dbraw/zinc/72/41/36/336724136.db2.gz WFTLUGCWNLFAAM-QVKFZJNVSA-N 1 0 320.436 4.252 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccco1 ZINC000367538972 336824690 /nfs/dbraw/zinc/82/46/90/336824690.db2.gz VCCZVFBSSHCVKU-IBGZPJMESA-N 1 0 321.424 4.477 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367818765 336830082 /nfs/dbraw/zinc/83/00/82/336830082.db2.gz JHZSYYLBUJTDDU-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@H](CC[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000368518834 336846597 /nfs/dbraw/zinc/84/65/97/336846597.db2.gz NRGFWYMCVGKXDG-GOSISDBHSA-N 1 0 319.452 4.133 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H](c2cccnc2)C2CCCCC2)c1 ZINC000368960571 336855649 /nfs/dbraw/zinc/85/56/49/336855649.db2.gz OICZASUVCFWINY-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(OCC#N)cc1 ZINC000369707103 336869898 /nfs/dbraw/zinc/86/98/98/336869898.db2.gz POSJJNFGEWXMNT-FNHZYXHNSA-N 1 0 324.399 4.325 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000418145159 336896726 /nfs/dbraw/zinc/89/67/26/336896726.db2.gz MCCUUJJHZDTDBT-LJQANCHMSA-N 1 0 319.383 4.346 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cs1 ZINC000418152116 336898150 /nfs/dbraw/zinc/89/81/50/336898150.db2.gz XWBROMNJTUWZPU-INIZCTEOSA-N 1 0 302.830 4.440 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000371794650 336913267 /nfs/dbraw/zinc/91/32/67/336913267.db2.gz BPMQQSNQPPYLSM-HNNXBMFYSA-N 1 0 319.880 4.086 20 30 DIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000389952114 336927688 /nfs/dbraw/zinc/92/76/88/336927688.db2.gz XNDBLWJAUKZSFJ-SJORKVTESA-N 1 0 308.425 4.204 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000373118895 336948872 /nfs/dbraw/zinc/94/88/72/336948872.db2.gz VYRQFRRBXNGSAK-LJQANCHMSA-N 1 0 314.473 4.464 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1ccco1 ZINC000375896985 337022530 /nfs/dbraw/zinc/02/25/30/337022530.db2.gz BZPAXYUYOYJNEC-IRXDYDNUSA-N 1 0 313.397 4.409 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000376041913 337025783 /nfs/dbraw/zinc/02/57/83/337025783.db2.gz BKDCDKANUVPJCV-QZTJIDSGSA-N 1 0 310.372 4.262 20 30 DIEDRO CCOCC(C)(C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000582510360 337099650 /nfs/dbraw/zinc/09/96/50/337099650.db2.gz YOEWOLGVKODNLL-UHFFFAOYSA-N 1 0 314.473 4.043 20 30 DIEDRO C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC(CC#N)CC1 ZINC000582697364 337121614 /nfs/dbraw/zinc/12/16/14/337121614.db2.gz AALFFDHFPVROSC-WYMLVPIESA-N 1 0 320.383 4.317 20 30 DIEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCC(C)(C)C#N)c1 ZINC000174811498 337143604 /nfs/dbraw/zinc/14/36/04/337143604.db2.gz UEZLJRIAUXSAIF-QGZVFWFLSA-N 1 0 316.445 4.171 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000174809405 337143614 /nfs/dbraw/zinc/14/36/14/337143614.db2.gz IXMDCCVVGQIKAX-UHFFFAOYSA-N 1 0 311.429 4.337 20 30 DIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCCC(C)(C)C#N ZINC000174839487 337145008 /nfs/dbraw/zinc/14/50/08/337145008.db2.gz XWXKSYHFLFUZFT-UHFFFAOYSA-N 1 0 324.472 4.271 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000176747957 337152007 /nfs/dbraw/zinc/15/20/07/337152007.db2.gz DLQWNYTTXZRULZ-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000180458239 337174702 /nfs/dbraw/zinc/17/47/02/337174702.db2.gz CHHLMEULYVPRHT-GFCCVEGCSA-N 1 0 319.499 4.083 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1cccc(C#N)c1 ZINC000181587016 337183163 /nfs/dbraw/zinc/18/31/63/337183163.db2.gz KFZHYLSCQZXVJU-HRAATJIYSA-N 1 0 313.404 4.393 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000583024654 337226614 /nfs/dbraw/zinc/22/66/14/337226614.db2.gz GKQIXBAUVBBEFZ-FQEVSTJZSA-N 1 0 308.425 4.392 20 30 DIEDRO C=C(C)COCC[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000583107276 337238208 /nfs/dbraw/zinc/23/82/08/337238208.db2.gz XDSPSCONHMGZRI-NTEUORMPSA-N 1 0 313.363 4.291 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1noc2ccccc12 ZINC000583094142 337240039 /nfs/dbraw/zinc/24/00/39/337240039.db2.gz QSNUJRSQLAZUIS-GOSISDBHSA-N 1 0 317.392 4.257 20 30 DIEDRO C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(OCCCC#N)c1 ZINC000321436792 337265114 /nfs/dbraw/zinc/26/51/14/337265114.db2.gz QJINNMNZJSVUIX-IRXDYDNUSA-N 1 0 315.461 4.092 20 30 DIEDRO C=CC[C@H](C(=O)Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1 ZINC000188859553 337275219 /nfs/dbraw/zinc/27/52/19/337275219.db2.gz WZPAYQUEFJMOQR-SFHVURJKSA-N 1 0 317.392 4.375 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000188952252 337276947 /nfs/dbraw/zinc/27/69/47/337276947.db2.gz FHQQFZLPXFBHLA-IBGZPJMESA-N 1 0 309.409 4.173 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F ZINC000583232988 337281396 /nfs/dbraw/zinc/28/13/96/337281396.db2.gz NCKUXRSJAXKIJB-CWTRNNRKSA-N 1 0 312.363 4.217 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F ZINC000583232986 337281429 /nfs/dbraw/zinc/28/14/29/337281429.db2.gz NCKUXRSJAXKIJB-BLVKFPJESA-N 1 0 312.363 4.217 20 30 DIEDRO Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cn2)c1 ZINC000583242277 337285691 /nfs/dbraw/zinc/28/56/91/337285691.db2.gz YNQMCLJVNWECOW-SJLPKXTDSA-N 1 0 321.424 4.273 20 30 DIEDRO Cn1cc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)cc1C#N ZINC000191467834 337297244 /nfs/dbraw/zinc/29/72/44/337297244.db2.gz ORVLFEQLZGEZPC-HXUWFJFHSA-N 1 0 307.441 4.308 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000192158030 337303505 /nfs/dbraw/zinc/30/35/05/337303505.db2.gz LBBHJKDQQAEPEI-QGZVFWFLSA-N 1 0 304.315 4.216 20 30 DIEDRO COc1ccc(C[NH2+]C2CCC(C)CC2)cc1OCCCC#N ZINC000064613573 337307111 /nfs/dbraw/zinc/30/71/11/337307111.db2.gz NQTGKOBXLIDJQZ-UHFFFAOYSA-N 1 0 316.445 4.046 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000583716135 337316781 /nfs/dbraw/zinc/31/67/81/337316781.db2.gz PHYFAGXACNZEEW-OAQYLSRUSA-N 1 0 320.436 4.271 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(F)cc1Cl)CC2 ZINC000583760548 337330820 /nfs/dbraw/zinc/33/08/20/337330820.db2.gz WVYOFPRBQKSKHG-SFHVURJKSA-N 1 0 314.791 4.170 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000584484996 337349627 /nfs/dbraw/zinc/34/96/27/337349627.db2.gz KMSBCKHXZTUMHG-AEFFLSMTSA-N 1 0 321.848 4.048 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000584558966 337361075 /nfs/dbraw/zinc/36/10/75/337361075.db2.gz UVPYZYOIJAQBGT-APWZRJJASA-N 1 0 324.399 4.132 20 30 DIEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825212 337389866 /nfs/dbraw/zinc/38/98/66/337389866.db2.gz CZVNPHMFQPKMNE-QGZVFWFLSA-N 1 0 317.392 4.079 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000194621592 337462932 /nfs/dbraw/zinc/46/29/32/337462932.db2.gz GPFBPFRXSYZDDN-VQIMIIECSA-N 1 0 322.456 4.132 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429436882 337490337 /nfs/dbraw/zinc/49/03/37/337490337.db2.gz XIVNWSLPKILOLW-OTWHNJEPSA-N 1 0 305.437 4.016 20 30 DIEDRO Cc1cc(C[NH2+][C@H](CC(F)F)c2ccccc2)ccc1C#N ZINC000420988663 337517575 /nfs/dbraw/zinc/51/75/75/337517575.db2.gz ASJKHIPDYXLDRO-QGZVFWFLSA-N 1 0 300.352 4.353 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000421347522 337527851 /nfs/dbraw/zinc/52/78/51/337527851.db2.gz COBZZSCMJGSRDY-LSDHHAIUSA-N 1 0 311.454 4.139 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OC)c(COCC)c1)c1ccccc1 ZINC000270252912 337639544 /nfs/dbraw/zinc/63/95/44/337639544.db2.gz USNLLNLDVXLXBC-FQEVSTJZSA-N 1 0 323.436 4.086 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1OC)c1ccccc1 ZINC000271499446 337644153 /nfs/dbraw/zinc/64/41/53/337644153.db2.gz LYBYBXDCGCAEJK-BEFAXECRSA-N 1 0 309.409 4.119 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1ccccc1 ZINC000271499449 337644183 /nfs/dbraw/zinc/64/41/83/337644183.db2.gz LYBYBXDCGCAEJK-KXBFYZLASA-N 1 0 309.409 4.119 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000271416496 337644320 /nfs/dbraw/zinc/64/43/20/337644320.db2.gz BIJXJCKLGFSKFE-VQIMIIECSA-N 1 0 321.420 4.263 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccncc1Cl ZINC000421848342 337654755 /nfs/dbraw/zinc/65/47/55/337654755.db2.gz AIAXMKMWDCXGSN-KPZWWZAWSA-N 1 0 311.816 4.335 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OC)cc1 ZINC000421884564 337658831 /nfs/dbraw/zinc/65/88/31/337658831.db2.gz QTHAFLACSDLVDX-KRWDZBQOSA-N 1 0 300.427 4.259 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(C#N)cc1 ZINC000421892678 337659431 /nfs/dbraw/zinc/65/94/31/337659431.db2.gz WORJCZPWIGNLFR-SJORKVTESA-N 1 0 300.471 4.132 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1F ZINC000423338958 337712887 /nfs/dbraw/zinc/71/28/87/337712887.db2.gz BDJSWVLLBDBEKJ-BUXKBTBVSA-N 1 0 309.388 4.008 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1 ZINC000423352408 337713641 /nfs/dbraw/zinc/71/36/41/337713641.db2.gz KNISCUCNWGNGSR-PMACEKPBSA-N 1 0 305.425 4.259 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000536856235 337746290 /nfs/dbraw/zinc/74/62/90/337746290.db2.gz FGLCQNYYRWASAI-QWHCGFSZSA-N 1 0 303.837 4.449 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1C ZINC000424171563 337792337 /nfs/dbraw/zinc/79/23/37/337792337.db2.gz LWSNXFZDUHMXDF-RXVVDRJESA-N 1 0 307.437 4.343 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000424195056 337805727 /nfs/dbraw/zinc/80/57/27/337805727.db2.gz BZULSMFJCUJVDE-SMDDNHRTSA-N 1 0 317.845 4.245 20 30 DIEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000424200350 337808404 /nfs/dbraw/zinc/80/84/04/337808404.db2.gz MAGVQBXIMYJWQA-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000424206313 337809376 /nfs/dbraw/zinc/80/93/76/337809376.db2.gz WTMUKVLFBGDBET-GXSJLCMTSA-N 1 0 302.727 4.141 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000424290309 337815707 /nfs/dbraw/zinc/81/57/07/337815707.db2.gz BKDFQCALSMPAHO-ONIAQPFYSA-N 1 0 305.849 4.157 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000424291165 337816305 /nfs/dbraw/zinc/81/63/05/337816305.db2.gz DDRGXRWFBJKITE-BPUTZDHNSA-N 1 0 315.413 4.073 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000424293850 337816681 /nfs/dbraw/zinc/81/66/81/337816681.db2.gz JQJRFOZYGYVYMQ-QRFRQXIXSA-N 1 0 315.457 4.107 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000424295448 337816900 /nfs/dbraw/zinc/81/69/00/337816900.db2.gz MTDOCMUWZMQYNP-PGUXBMHVSA-N 1 0 300.229 4.235 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000424299143 337817326 /nfs/dbraw/zinc/81/73/26/337817326.db2.gz UZIZYEMYWXATQG-UHOSZYNNSA-N 1 0 315.457 4.204 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000424317800 337819928 /nfs/dbraw/zinc/81/99/28/337819928.db2.gz CHLZRECVFBOAAB-KBMXLJTQSA-N 1 0 323.465 4.469 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)C1 ZINC000424327554 337821423 /nfs/dbraw/zinc/82/14/23/337821423.db2.gz MVIKHENYLABJMM-SOLBZPMBSA-N 1 0 310.441 4.495 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000424327912 337821631 /nfs/dbraw/zinc/82/16/31/337821631.db2.gz NGPNRAVQYFITDE-PEYYIBSZSA-N 1 0 324.346 4.318 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000424331731 337822209 /nfs/dbraw/zinc/82/22/09/337822209.db2.gz SHVOYKQOSUNZFK-PEYYIBSZSA-N 1 0 319.246 4.108 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)C1 ZINC000424335489 337822706 /nfs/dbraw/zinc/82/27/06/337822706.db2.gz WTDQBIBGSWVTSJ-PWIZWCRZSA-N 1 0 308.400 4.391 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000118394819 337850453 /nfs/dbraw/zinc/85/04/53/337850453.db2.gz UWINAZUZQZIGMQ-KRWDZBQOSA-N 1 0 319.452 4.220 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(C)s2)ccc1OC ZINC000057964291 337867539 /nfs/dbraw/zinc/86/75/39/337867539.db2.gz DSVTVPQCRPNGJD-UHFFFAOYSA-N 1 0 317.454 4.310 20 30 DIEDRO C=CC1CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000120687890 337879340 /nfs/dbraw/zinc/87/93/40/337879340.db2.gz LBEAZLCZRKECMB-HNNXBMFYSA-N 1 0 311.429 4.312 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CCCC(C)(C)C#N)ccc1OC(C)C ZINC000537051230 337884310 /nfs/dbraw/zinc/88/43/10/337884310.db2.gz NVIKUCQIQNVLJC-HNNXBMFYSA-N 1 0 318.461 4.463 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1 ZINC000537060589 337885488 /nfs/dbraw/zinc/88/54/88/337885488.db2.gz JTWWYRQIVWBHKH-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO CC(C)Cc1ccc([C@H]([NH2+]C[C@H](C#N)CCC#N)C2CC2)cc1 ZINC000537291150 337928595 /nfs/dbraw/zinc/92/85/95/337928595.db2.gz MHQXWMBNUWADTL-PXNSSMCTSA-N 1 0 309.457 4.369 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Nc1ccccc1 ZINC000537294153 337928857 /nfs/dbraw/zinc/92/88/57/337928857.db2.gz ZHFOOFDZCWFOBJ-OXJNMPFZSA-N 1 0 307.441 4.346 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000515679047 337994914 /nfs/dbraw/zinc/99/49/14/337994914.db2.gz FFHLNYJTLBCUQJ-JTQLQIEISA-N 1 0 315.230 4.236 20 30 DIEDRO C=CCCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000516537013 338014775 /nfs/dbraw/zinc/01/47/75/338014775.db2.gz TYMALSORXRNICA-UHFFFAOYSA-N 1 0 309.457 4.281 20 30 DIEDRO CCSc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000426301506 338025617 /nfs/dbraw/zinc/02/56/17/338025617.db2.gz DEYPGDUMDSRKAN-LJQANCHMSA-N 1 0 308.450 4.447 20 30 DIEDRO C=CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000428386654 338049806 /nfs/dbraw/zinc/04/98/06/338049806.db2.gz XPDGFOJUIZCVMH-UHFFFAOYSA-N 1 0 307.397 4.059 20 30 DIEDRO CCCc1nc(C)c(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000428448884 338052079 /nfs/dbraw/zinc/05/20/79/338052079.db2.gz UMHMRNRHEHTXQF-OAHLLOKOSA-N 1 0 311.429 4.390 20 30 DIEDRO C=C(C)C[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429777881 338089676 /nfs/dbraw/zinc/08/96/76/338089676.db2.gz XJOLIIHMZKFGFM-IRXDYDNUSA-N 1 0 310.844 4.169 20 30 DIEDRO N#CCC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000430028297 338093927 /nfs/dbraw/zinc/09/39/27/338093927.db2.gz VEUAKBYAMIGJAR-UHFFFAOYSA-N 1 0 302.727 4.142 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000430042093 338094256 /nfs/dbraw/zinc/09/42/56/338094256.db2.gz XRWOLXYCPMIPFM-UHFFFAOYSA-N 1 0 300.402 4.338 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1Cl ZINC000430042106 338094285 /nfs/dbraw/zinc/09/42/85/338094285.db2.gz XTKVRMQTZBOVKA-CYBMUJFWSA-N 1 0 315.791 4.430 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(C)(OCC)CC2)cc1Cl ZINC000430094274 338096156 /nfs/dbraw/zinc/09/61/56/338096156.db2.gz JITWPJLBGOHADJ-UHFFFAOYSA-N 1 0 323.864 4.296 20 30 DIEDRO CC(C)[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1ccccc1 ZINC000430098594 338096443 /nfs/dbraw/zinc/09/64/43/338096443.db2.gz CWVZJHKYPRVPMM-INIZCTEOSA-N 1 0 318.424 4.178 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000430724821 338112457 /nfs/dbraw/zinc/11/24/57/338112457.db2.gz OYRIIOXMRIJRAD-IBGZPJMESA-N 1 0 308.400 4.393 20 30 DIEDRO Cc1cc(Br)cc2c1[C@@H]([NH2+]CC1(CC#N)CC1)CC2 ZINC000430760875 338114134 /nfs/dbraw/zinc/11/41/34/338114134.db2.gz KHMWTLRTKWQVIR-AWEZNQCLSA-N 1 0 319.246 4.028 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000430874417 338117711 /nfs/dbraw/zinc/11/77/11/338117711.db2.gz CTRQNQFUXLBKLG-UKRRQHHQSA-N 1 0 308.347 4.235 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430881788 338117945 /nfs/dbraw/zinc/11/79/45/338117945.db2.gz FKOPLXIXTSCZHF-HUUCEWRRSA-N 1 0 308.347 4.235 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432242528 338150130 /nfs/dbraw/zinc/15/01/30/338150130.db2.gz LGBRAICREWFOGX-UHFFFAOYSA-N 1 0 317.473 4.325 20 30 DIEDRO C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000432427566 338156203 /nfs/dbraw/zinc/15/62/03/338156203.db2.gz ZKFAVEOLKLYAID-CBCUQQMYSA-N 1 0 318.436 4.332 20 30 DIEDRO C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000432450572 338156725 /nfs/dbraw/zinc/15/67/25/338156725.db2.gz XPXZEWMLTOLTMK-VQCLRJIVSA-N 1 0 318.436 4.332 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000432840132 338170415 /nfs/dbraw/zinc/17/04/15/338170415.db2.gz KTNGBRQEJGRKBJ-HOTGVXAUSA-N 1 0 315.379 4.319 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000432840133 338170416 /nfs/dbraw/zinc/17/04/16/338170416.db2.gz KTNGBRQEJGRKBJ-HZPDHXFCSA-N 1 0 315.379 4.319 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCOc1ccccc1F)c1ccccc1 ZINC000433013425 338176262 /nfs/dbraw/zinc/17/62/62/338176262.db2.gz NXCZFWVZJFJPGK-GOSISDBHSA-N 1 0 312.388 4.229 20 30 DIEDRO CN(C)c1ccccc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433017496 338176460 /nfs/dbraw/zinc/17/64/60/338176460.db2.gz AURGWSYQSZWAQF-LJQANCHMSA-N 1 0 307.441 4.277 20 30 DIEDRO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC000433233398 338187007 /nfs/dbraw/zinc/18/70/07/338187007.db2.gz OWUIQFRRIGDAQM-UHFFFAOYSA-N 1 0 306.743 4.122 20 30 DIEDRO CN(Cc1ccc(F)c(Cl)c1)Cc1ccc(F)cc1C#N ZINC000433253280 338188022 /nfs/dbraw/zinc/18/80/22/338188022.db2.gz RROQVROZJOBYLU-UHFFFAOYSA-N 1 0 306.743 4.122 20 30 DIEDRO N#CCCCNc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000433763132 338200951 /nfs/dbraw/zinc/20/09/51/338200951.db2.gz UXQZIWUMMREAKB-UHFFFAOYSA-N 1 0 303.365 4.165 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000435736208 338246908 /nfs/dbraw/zinc/24/69/08/338246908.db2.gz UZDBRSHHSLBQLD-PXNSSMCTSA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc(OC)c1O ZINC000435786695 338249256 /nfs/dbraw/zinc/24/92/56/338249256.db2.gz VSQKNVHGAKIWMU-WGSAOQKQSA-N 1 0 323.436 4.165 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000435789465 338249353 /nfs/dbraw/zinc/24/93/53/338249353.db2.gz IQAPRLGFEDPGRO-MXVIHJGJSA-N 1 0 320.436 4.405 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c(F)c1 ZINC000436229389 338262564 /nfs/dbraw/zinc/26/25/64/338262564.db2.gz DXBJLJZHYSGDNN-QFBILLFUSA-N 1 0 308.400 4.198 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000436285978 338266022 /nfs/dbraw/zinc/26/60/22/338266022.db2.gz PXMZLBSVOCXIPM-NXHRZFHOSA-N 1 0 305.849 4.362 20 30 DIEDRO CSc1ccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000436286389 338266166 /nfs/dbraw/zinc/26/61/66/338266166.db2.gz HADXKNNLJIGGMF-CYBMUJFWSA-N 1 0 314.429 4.313 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000436291180 338266587 /nfs/dbraw/zinc/26/65/87/338266587.db2.gz KTYVOMBAFOEGKW-MJEQTWJJSA-N 1 0 323.889 4.448 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1cc(Cl)ccc1OC ZINC000436294789 338267005 /nfs/dbraw/zinc/26/70/05/338267005.db2.gz HDMFMKBWXHKGMU-QBIMZIAESA-N 1 0 323.864 4.371 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000436300810 338267454 /nfs/dbraw/zinc/26/74/54/338267454.db2.gz KVXSLNSMFADYML-WDYCEAGBSA-N 1 0 303.446 4.107 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000436303466 338267742 /nfs/dbraw/zinc/26/77/42/338267742.db2.gz CGHMABNAUSQWPU-SUMDDJOVSA-N 1 0 303.446 4.026 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000436303467 338267750 /nfs/dbraw/zinc/26/77/50/338267750.db2.gz CGHMABNAUSQWPU-WDYCEAGBSA-N 1 0 303.446 4.026 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000436304710 338267891 /nfs/dbraw/zinc/26/78/91/338267891.db2.gz DYSKEOGSPYTPQE-JOQOYGCGSA-N 1 0 305.487 4.259 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000436307539 338268085 /nfs/dbraw/zinc/26/80/85/338268085.db2.gz KWZOYHCCEYNNAK-RAKLQZGLSA-N 1 0 303.421 4.020 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000436306720 338268105 /nfs/dbraw/zinc/26/81/05/338268105.db2.gz JAWMYLNXIQUNQK-UHOSZYNNSA-N 1 0 303.446 4.107 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000436311626 338268556 /nfs/dbraw/zinc/26/85/56/338268556.db2.gz SRDVPNOEFLPFDQ-DQLDELGASA-N 1 0 322.452 4.380 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCC)CCc1ccccc1 ZINC000436313947 338268729 /nfs/dbraw/zinc/26/87/29/338268729.db2.gz MNRRJGVDSSWDOR-UFYCRDLUSA-N 1 0 301.474 4.359 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000436315799 338268764 /nfs/dbraw/zinc/26/87/64/338268764.db2.gz QFVHULGTZOETKK-IHPCNDPISA-N 1 0 315.432 4.332 20 30 DIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000437082621 338299851 /nfs/dbraw/zinc/29/98/51/338299851.db2.gz CWEPEEVMBIRGOP-IINYFYTJSA-N 1 0 302.315 4.325 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000437244612 338304584 /nfs/dbraw/zinc/30/45/84/338304584.db2.gz HCUCHAGTNWQZKT-AABGKKOBSA-N 1 0 301.474 4.387 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000437511761 338312157 /nfs/dbraw/zinc/31/21/57/338312157.db2.gz CYBPEDBRPWXTCU-AWEZNQCLSA-N 1 0 318.486 4.024 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC[C@H]2CCOC2)C(C)(C)C)cc1 ZINC000437589540 338315195 /nfs/dbraw/zinc/31/51/95/338315195.db2.gz KWPXQMCDUYIMBF-SFHVURJKSA-N 1 0 317.473 4.279 20 30 DIEDRO C[C@@H]([NH2+]CCCCCOc1ccccc1)c1ccc(C#N)cc1 ZINC000438070239 338329714 /nfs/dbraw/zinc/32/97/14/338329714.db2.gz DGYDHBUQEXGQRT-QGZVFWFLSA-N 1 0 308.425 4.458 20 30 DIEDRO FC(F)(F)CC[N@H+](CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000438473541 338344996 /nfs/dbraw/zinc/34/49/96/338344996.db2.gz DZOQWEBDBOJQQA-UHFFFAOYSA-N 1 0 315.766 4.356 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)cc1 ZINC000438483748 338345628 /nfs/dbraw/zinc/34/56/28/338345628.db2.gz FLGYXJFJIYDXAZ-OAHLLOKOSA-N 1 0 301.352 4.318 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC1(c2ccccc2C)CCOCC1)C1CC1 ZINC000439068274 338360151 /nfs/dbraw/zinc/36/01/51/338360151.db2.gz HIKOLPDVUIGZJA-HXUWFJFHSA-N 1 0 313.485 4.378 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000439077690 338360300 /nfs/dbraw/zinc/36/03/00/338360300.db2.gz LYEZSQFDZYBXLH-ZWKOTPCHSA-N 1 0 302.462 4.141 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCN(Cc2ccccc2C)CC1)C1CC1 ZINC000439082704 338360586 /nfs/dbraw/zinc/36/05/86/338360586.db2.gz FIPFLNWKQIOJNH-OAQYLSRUSA-N 1 0 312.501 4.294 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000439086932 338360688 /nfs/dbraw/zinc/36/06/88/338360688.db2.gz PGUHVRBMHZHBTR-FQEVSTJZSA-N 1 0 309.457 4.324 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c1 ZINC000439433878 338369169 /nfs/dbraw/zinc/36/91/69/338369169.db2.gz ABJNMPKYBAJIEH-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c1 ZINC000439433879 338369174 /nfs/dbraw/zinc/36/91/74/338369174.db2.gz ABJNMPKYBAJIEH-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO Cc1nc([C@H]2CCCN2Cc2ccc(C#N)cc2Cl)cs1 ZINC000439432769 338369245 /nfs/dbraw/zinc/36/92/45/338369245.db2.gz VRVYRGYXXSGTLI-MRXNPFEDSA-N 1 0 317.845 4.314 20 30 DIEDRO COc1ccc([C@@H](C)N(C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439445854 338369575 /nfs/dbraw/zinc/36/95/75/338369575.db2.gz YLWHXKUQUGAHMZ-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1Cl ZINC000439446258 338369756 /nfs/dbraw/zinc/36/97/56/338369756.db2.gz DRPKMRVWENZJLH-UHFFFAOYSA-N 1 0 323.827 4.496 20 30 DIEDRO CC[NH+](CC)Cc1ccc(NCc2ccc(C#N)c(OC)c2)cc1 ZINC000440619564 338392724 /nfs/dbraw/zinc/39/27/24/338392724.db2.gz OOBUYIYKNTYEHN-UHFFFAOYSA-N 1 0 323.440 4.021 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cc3ccccc3o2)ccc1C#N ZINC000440622833 338392880 /nfs/dbraw/zinc/39/28/80/338392880.db2.gz FMQUEXDLYOZPPM-ZDUSSCGKSA-N 1 0 306.365 4.164 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)ccc1C#N ZINC000440826618 338398347 /nfs/dbraw/zinc/39/83/47/338398347.db2.gz UXTUYDOJOXLOSR-IBGZPJMESA-N 1 0 308.425 4.444 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440833508 338398462 /nfs/dbraw/zinc/39/84/62/338398462.db2.gz SIDOXYNBCYFRGJ-GOSISDBHSA-N 1 0 324.424 4.206 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000442722159 338429124 /nfs/dbraw/zinc/42/91/24/338429124.db2.gz UUBVTWQVOOXNQB-SWLSCSKDSA-N 1 0 321.262 4.009 20 30 DIEDRO CCOc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000442779276 338430709 /nfs/dbraw/zinc/43/07/09/338430709.db2.gz LTBBFSXYILSDJB-LDQXTDLNSA-N 1 0 320.436 4.457 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000442781865 338430804 /nfs/dbraw/zinc/43/08/04/338430804.db2.gz KEGKICQFSKWUMG-WMZOPIPTSA-N 1 0 306.409 4.014 20 30 DIEDRO COc1cccc(-c2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)c1 ZINC000442794355 338432011 /nfs/dbraw/zinc/43/20/11/338432011.db2.gz QBOOKPKUVQIXSV-QFBILLFUSA-N 1 0 306.409 4.144 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000442799137 338432324 /nfs/dbraw/zinc/43/23/24/338432324.db2.gz ZNJKLERNFSLKNR-CJNGLKHVSA-N 1 0 322.374 4.409 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000442847730 338434412 /nfs/dbraw/zinc/43/44/12/338434412.db2.gz LTUCFGBIZQOHDR-ZFWWWQNUSA-N 1 0 303.475 4.015 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)ccc1SC ZINC000442853755 338434883 /nfs/dbraw/zinc/43/48/83/338434883.db2.gz JPLMTZDIRDJRCP-WLYUNCDWSA-N 1 0 318.486 4.398 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442857978 338435372 /nfs/dbraw/zinc/43/53/72/338435372.db2.gz HFICQFRZOBTXBT-GTPINHCMSA-N 1 0 300.446 4.454 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1c(C)nn(C)c1C ZINC000447537234 338555147 /nfs/dbraw/zinc/55/51/47/338555147.db2.gz UFCQKBGMYAGPPH-ZWKOTPCHSA-N 1 0 310.445 4.101 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447562561 338556886 /nfs/dbraw/zinc/55/68/86/338556886.db2.gz MGVFCMGJTBYLEK-TZIWHRDSSA-N 1 0 319.452 4.268 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(C#N)cc1 ZINC000447576289 338558212 /nfs/dbraw/zinc/55/82/12/338558212.db2.gz XPTFMTGGRZCGJS-MXEMCNAFSA-N 1 0 302.421 4.185 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](c1cccnc1)C(C)C)c1ccc(C#N)cc1 ZINC000447578817 338558606 /nfs/dbraw/zinc/55/86/06/338558606.db2.gz HNXURXYIHJZNMX-VQTJNVASSA-N 1 0 307.441 4.434 20 30 DIEDRO CC[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1 ZINC000447587840 338559797 /nfs/dbraw/zinc/55/97/97/338559797.db2.gz RUKJXCSZAKLHIR-IRXDYDNUSA-N 1 0 312.800 4.386 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000447602541 338561773 /nfs/dbraw/zinc/56/17/73/338561773.db2.gz SRNAHSMAAGNJKJ-QHAWAJNXSA-N 1 0 320.436 4.377 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCc1csc(N2CCCC2)n1 ZINC000449160371 338597865 /nfs/dbraw/zinc/59/78/65/338597865.db2.gz AXTJLQSLHFCFBV-OAHLLOKOSA-N 1 0 307.507 4.010 20 30 DIEDRO CC[C@@H](C)[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)OC ZINC000449403653 338621346 /nfs/dbraw/zinc/62/13/46/338621346.db2.gz QRECAXNQQNSPAH-OTBHMBEGSA-N 1 0 314.473 4.041 20 30 DIEDRO CC(C)=CCC[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000449443357 338624543 /nfs/dbraw/zinc/62/45/43/338624543.db2.gz RMVVRRZCGAMFOQ-KRWDZBQOSA-N 1 0 311.473 4.252 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1OCC ZINC000449444886 338624563 /nfs/dbraw/zinc/62/45/63/338624563.db2.gz DYTYGGUNBRJBKI-RDJZCZTQSA-N 1 0 316.445 4.046 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000449487659 338629914 /nfs/dbraw/zinc/62/99/14/338629914.db2.gz ZWKXRKOWETVTBW-UHFFFAOYSA-N 1 0 302.443 4.024 20 30 DIEDRO N#Cc1ccc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000449659188 338644714 /nfs/dbraw/zinc/64/47/14/338644714.db2.gz AQHAWNPSYZWCLN-UHFFFAOYSA-N 1 0 316.326 4.176 20 30 DIEDRO CC(C)N1CCCC[C@H]1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000451058505 338719930 /nfs/dbraw/zinc/71/99/30/338719930.db2.gz AOOUWSOAPMANKW-PMACEKPBSA-N 1 0 313.489 4.274 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000451502564 338736902 /nfs/dbraw/zinc/73/69/02/338736902.db2.gz CEBABMHEWPTDLW-DLBZAZTESA-N 1 0 300.446 4.152 20 30 DIEDRO C=CCCCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453188874 338804800 /nfs/dbraw/zinc/80/48/00/338804800.db2.gz AHJLTUAEMHBHJF-INIZCTEOSA-N 1 0 303.837 4.109 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453243070 338813205 /nfs/dbraw/zinc/81/32/05/338813205.db2.gz QZGRSDLDZZLZEA-MRXNPFEDSA-N 1 0 317.864 4.355 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C3CC3)ccc1F)CC2 ZINC000453249098 338814011 /nfs/dbraw/zinc/81/40/11/338814011.db2.gz CRFKHHMHCIXAAJ-FQEVSTJZSA-N 1 0 306.384 4.352 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1nc(C)c(Br)s1)C1CC1 ZINC000453273416 338817196 /nfs/dbraw/zinc/81/71/96/338817196.db2.gz WAXHATDUCJLZSB-NSHDSACASA-N 1 0 315.280 4.048 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[C@@H](CC#N)C3)c(C)c2c1 ZINC000453286449 338818798 /nfs/dbraw/zinc/81/87/98/338818798.db2.gz CWAYVXZGCWOAHN-KKUMJFAQSA-N 1 0 312.413 4.483 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000453322514 338824745 /nfs/dbraw/zinc/82/47/45/338824745.db2.gz RDDKJTOWFGMHOA-HNNXBMFYSA-N 1 0 303.450 4.177 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1ccco1 ZINC000453362524 338831943 /nfs/dbraw/zinc/83/19/43/338831943.db2.gz QSFIZQRGNBEMSO-JENIJYKNSA-N 1 0 312.413 4.192 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000453370552 338833363 /nfs/dbraw/zinc/83/33/63/338833363.db2.gz UGGKYWUWBKQEPZ-HOTGVXAUSA-N 1 0 314.473 4.141 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCC1CC(F)(F)C1 ZINC000453403850 338839053 /nfs/dbraw/zinc/83/90/53/338839053.db2.gz DEQLDPCZZFBKPA-QGZVFWFLSA-N 1 0 304.384 4.351 20 30 DIEDRO Cc1cc(Br)c(C[NH2+]CC(C)(C)CCC#N)s1 ZINC000453600766 338850043 /nfs/dbraw/zinc/85/00/43/338850043.db2.gz QTGNFQKDTUVUIY-UHFFFAOYSA-N 1 0 315.280 4.239 20 30 DIEDRO CCOc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1O ZINC000459305833 339020573 /nfs/dbraw/zinc/02/05/73/339020573.db2.gz QULIKCXHZFZRDV-UHFFFAOYSA-N 1 0 324.424 4.073 20 30 DIEDRO C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000459485371 339032267 /nfs/dbraw/zinc/03/22/67/339032267.db2.gz IPXTUTKMVNLXMQ-ZDUSSCGKSA-N 1 0 321.380 4.195 20 30 DIEDRO C=CCCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459507990 339033185 /nfs/dbraw/zinc/03/31/85/339033185.db2.gz RXIFOHFHDTWJAN-UHFFFAOYSA-N 1 0 310.445 4.116 20 30 DIEDRO C=CCCc1ccccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459527699 339034196 /nfs/dbraw/zinc/03/41/96/339034196.db2.gz KFOWVRQIGSGRMU-UHFFFAOYSA-N 1 0 307.441 4.281 20 30 DIEDRO CCC1(CC)C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459576532 339036920 /nfs/dbraw/zinc/03/69/20/339036920.db2.gz FBKGPUOUPMZPRN-UHFFFAOYSA-N 1 0 322.456 4.086 20 30 DIEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673365 339042338 /nfs/dbraw/zinc/04/23/38/339042338.db2.gz YLFKCPISANKXKG-GJZGRUSLSA-N 1 0 319.411 4.412 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(Cl)cc1Br ZINC000459731270 339044822 /nfs/dbraw/zinc/04/48/22/339044822.db2.gz NEQHYTNQSNQUNC-UHFFFAOYSA-N 1 0 315.642 4.132 20 30 DIEDRO N#CCC[C@H](C#N)CN1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459764862 339047157 /nfs/dbraw/zinc/04/71/57/339047157.db2.gz ZRICIYDXIPDONI-IEBWSBKVSA-N 1 0 307.441 4.437 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@@H](CC)CCc1ccc(Br)cc1 ZINC000462057224 339071591 /nfs/dbraw/zinc/07/15/91/339071591.db2.gz JAHOMQBOFWSQRG-HOTGVXAUSA-N 1 0 323.278 4.442 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@@H](CC)CCc1ccc(Br)cc1 ZINC000462057687 339071617 /nfs/dbraw/zinc/07/16/17/339071617.db2.gz JAHOMQBOFWSQRG-JKSUJKDBSA-N 1 0 323.278 4.442 20 30 DIEDRO C=CC[N@@H+](CCCc1ccncc1)Cc1ccc(Cl)s1 ZINC000462310242 339075434 /nfs/dbraw/zinc/07/54/34/339075434.db2.gz FZBYEZMOJVURIZ-UHFFFAOYSA-N 1 0 306.862 4.417 20 30 DIEDRO CC1(C)CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000462365428 339076916 /nfs/dbraw/zinc/07/69/16/339076916.db2.gz LJTWUWGPVIYLOX-UHFFFAOYSA-N 1 0 302.487 4.350 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000462737669 339085814 /nfs/dbraw/zinc/08/58/14/339085814.db2.gz JRAFIFYDWILQFX-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO N#Cc1ccc(OCC[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000462768021 339087629 /nfs/dbraw/zinc/08/76/29/339087629.db2.gz UIYZUEFSKONXIT-UHFFFAOYSA-N 1 0 321.207 4.034 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000462810462 339090799 /nfs/dbraw/zinc/09/07/99/339090799.db2.gz CMQJQUTYGTUWBQ-SFHVURJKSA-N 1 0 309.409 4.124 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCOc2ccc3ccccc3c2)C1 ZINC000463235286 339110842 /nfs/dbraw/zinc/11/08/42/339110842.db2.gz COEOEBNZSWXYCD-VQIMIIECSA-N 1 0 308.425 4.281 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCOc2ccc3ccccc3c2)C1 ZINC000463235283 339110882 /nfs/dbraw/zinc/11/08/82/339110882.db2.gz COEOEBNZSWXYCD-APWZRJJASA-N 1 0 308.425 4.281 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000463272034 339112878 /nfs/dbraw/zinc/11/28/78/339112878.db2.gz NNCWMRWTFLDGHL-NLWGTHIKSA-N 1 0 300.490 4.374 20 30 DIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000463280614 339113062 /nfs/dbraw/zinc/11/30/62/339113062.db2.gz DVKINKGZNBBYPA-JZXOWHBKSA-N 1 0 315.461 4.067 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000463281115 339113207 /nfs/dbraw/zinc/11/32/07/339113207.db2.gz JZNRTELOPXLUBK-VQTJNVASSA-N 1 0 320.436 4.438 20 30 DIEDRO COc1cccc(C2(C[NH2+][C@@H]3CCC[C@H](C#N)C3)CCCC2)c1 ZINC000463285661 339113376 /nfs/dbraw/zinc/11/33/76/339113376.db2.gz TVXVARBRGJLPRY-FUHWJXTLSA-N 1 0 312.457 4.179 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000463292610 339113829 /nfs/dbraw/zinc/11/38/29/339113829.db2.gz WPNWUDKJRQVLLF-WOJBJXKFSA-N 1 0 320.436 4.438 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463300001 339114012 /nfs/dbraw/zinc/11/40/12/339114012.db2.gz KXIDHZGIGZCOCE-QRQLOZEOSA-N 1 0 314.473 4.467 20 30 DIEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463441779 339117786 /nfs/dbraw/zinc/11/77/86/339117786.db2.gz SLHLMLHHZJNNPY-UYAOXDASSA-N 1 0 301.474 4.048 20 30 DIEDRO CC#CCCCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000464440965 339142129 /nfs/dbraw/zinc/14/21/29/339142129.db2.gz YRJFFSCVNWJJSV-QGZVFWFLSA-N 1 0 312.457 4.193 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000464855864 339158332 /nfs/dbraw/zinc/15/83/32/339158332.db2.gz HWIVBGSJVGHEQU-MAUKXSAKSA-N 1 0 310.397 4.003 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1nc2cc(F)ccc2o1 ZINC000464868674 339159328 /nfs/dbraw/zinc/15/93/28/339159328.db2.gz YXPNDKLJBSKMRD-UHFFFAOYSA-N 1 0 310.372 4.198 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000466397430 339202440 /nfs/dbraw/zinc/20/24/40/339202440.db2.gz DOBZTOHPWIHIPC-GFCCVEGCSA-N 1 0 305.315 4.211 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(Cl)c3cccnc23)c1 ZINC000466411459 339203221 /nfs/dbraw/zinc/20/32/21/339203221.db2.gz ASZRAEJUBWUATA-UHFFFAOYSA-N 1 0 321.811 4.092 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2cnc(-c3ccccc3)s2)c1 ZINC000466423086 339204110 /nfs/dbraw/zinc/20/41/10/339204110.db2.gz BIKHUEWIHJUNLQ-UHFFFAOYSA-N 1 0 319.433 4.014 20 30 DIEDRO N#Cc1cccc(CC[NH2+]CC2CCC(C(F)(F)F)CC2)c1 ZINC000466424481 339204217 /nfs/dbraw/zinc/20/42/17/339204217.db2.gz IDHXCUYPHLGWBK-UHFFFAOYSA-N 1 0 310.363 4.059 20 30 DIEDRO CC#CCCCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000466837403 339218715 /nfs/dbraw/zinc/21/87/15/339218715.db2.gz KUYZKCYENVCEJA-UHFFFAOYSA-N 1 0 312.457 4.051 20 30 DIEDRO C=C(C)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299701 339230465 /nfs/dbraw/zinc/23/04/65/339230465.db2.gz MSVSBRPIAHYQBS-UHFFFAOYSA-N 1 0 324.262 4.006 20 30 DIEDRO C=CCC[N@@H+](C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000467389369 339236320 /nfs/dbraw/zinc/23/63/20/339236320.db2.gz QIORPFBZZUZRKN-UHFFFAOYSA-N 1 0 317.454 4.344 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000467418575 339237479 /nfs/dbraw/zinc/23/74/79/339237479.db2.gz NMHXYAFXYPSEDR-KBPBESRZSA-N 1 0 308.853 4.310 20 30 DIEDRO N#Cc1cccc(CC[NH2+]C2CC(c3ccc(Cl)cc3)C2)c1 ZINC000467434001 339238244 /nfs/dbraw/zinc/23/82/44/339238244.db2.gz BGIKOJHMEREAMB-UHFFFAOYSA-N 1 0 310.828 4.290 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000467443051 339238907 /nfs/dbraw/zinc/23/89/07/339238907.db2.gz AVVLIDCFKSVZEY-UXHICEINSA-N 1 0 304.437 4.273 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000467450529 339239444 /nfs/dbraw/zinc/23/94/44/339239444.db2.gz WBPRZYRGDCWCQW-LEWJYISDSA-N 1 0 304.437 4.417 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467455729 339239805 /nfs/dbraw/zinc/23/98/05/339239805.db2.gz LVWGCTCPAYTKIY-OAHLLOKOSA-N 1 0 310.466 4.043 20 30 DIEDRO C=CCC(CC=C)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000467821934 339246956 /nfs/dbraw/zinc/24/69/56/339246956.db2.gz HOMOYUJPGSAYSD-UHFFFAOYSA-N 1 0 300.446 4.235 20 30 DIEDRO N#Cc1cc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)ccc1F ZINC000468267857 339258196 /nfs/dbraw/zinc/25/81/96/339258196.db2.gz KDHAQJKGQHLNGR-GOSISDBHSA-N 1 0 312.363 4.044 20 30 DIEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000468270705 339258310 /nfs/dbraw/zinc/25/83/10/339258310.db2.gz OTFUALCAMJMZNB-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H](CC)CC#N)cc1 ZINC000468475657 339263668 /nfs/dbraw/zinc/26/36/68/339263668.db2.gz OAXJTIDKYMUDNG-AHLJCKCYSA-N 1 0 300.446 4.244 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469780185 339299338 /nfs/dbraw/zinc/29/93/38/339299338.db2.gz NIIRGEYZOBLHSF-CZUORRHYSA-N 1 0 314.395 4.252 20 30 DIEDRO CC(C)C[N@H+](Cc1ccccc1C#N)[C@H]1CCCc2cccnc21 ZINC000469790032 339300150 /nfs/dbraw/zinc/30/01/50/339300150.db2.gz HYMOKQLKQOMASV-FQEVSTJZSA-N 1 0 319.452 4.489 20 30 DIEDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000469993638 339307271 /nfs/dbraw/zinc/30/72/71/339307271.db2.gz UZJPXRRMCUJTLL-AWEZNQCLSA-N 1 0 315.766 4.354 20 30 DIEDRO CC1(C)[C@@H](C(F)(F)F)CCN1CC#Cc1ccccc1Cl ZINC000470000405 339307960 /nfs/dbraw/zinc/30/79/60/339307960.db2.gz RNKGIYFZVYKVRL-AWEZNQCLSA-N 1 0 315.766 4.354 20 30 DIEDRO COC1CC([NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000470319155 339317200 /nfs/dbraw/zinc/31/72/00/339317200.db2.gz RRTJHKHOSSZNOE-JAGHRAMZSA-N 1 0 306.409 4.053 20 30 DIEDRO C=CCOCCC[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000470724444 339326191 /nfs/dbraw/zinc/32/61/91/339326191.db2.gz WUHUPSSTJSHWPG-ZDUSSCGKSA-N 1 0 301.352 4.291 20 30 DIEDRO C=CCOCCC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000470728252 339326304 /nfs/dbraw/zinc/32/63/04/339326304.db2.gz ZXXJPAZOLXBUJZ-KRWDZBQOSA-N 1 0 319.495 4.350 20 30 DIEDRO CC(C)CC[N@H+](CCC#N)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470789474 339328220 /nfs/dbraw/zinc/32/82/20/339328220.db2.gz LIIYLBXVGBHSLE-OAQYLSRUSA-N 1 0 324.468 4.005 20 30 DIEDRO CCCC[N@H+](CC)Cc1cccc(CNc2ncccc2C#N)c1 ZINC000471746767 339353004 /nfs/dbraw/zinc/35/30/04/339353004.db2.gz KGQHONUMMISRRR-UHFFFAOYSA-N 1 0 322.456 4.187 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000472137897 339363981 /nfs/dbraw/zinc/36/39/81/339363981.db2.gz GSKYFIOFSQVBJD-OALUTQOASA-N 1 0 306.409 4.047 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000472145084 339364154 /nfs/dbraw/zinc/36/41/54/339364154.db2.gz ASTGCWYERQTXQR-SJLPKXTDSA-N 1 0 324.399 4.187 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000472152530 339364556 /nfs/dbraw/zinc/36/45/56/339364556.db2.gz HDVVPJOVHLDETA-LPHOPBHVSA-N 1 0 324.399 4.187 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC1(C)C ZINC000472600406 339374868 /nfs/dbraw/zinc/37/48/68/339374868.db2.gz KVOXSGNSOXVLGT-MRXNPFEDSA-N 1 0 318.486 4.072 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744736 339376539 /nfs/dbraw/zinc/37/65/39/339376539.db2.gz DBZLJBRCUWIMMR-WFASDCNBSA-N 1 0 301.352 4.025 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCC12CCCC2 ZINC000474043018 339398615 /nfs/dbraw/zinc/39/86/15/339398615.db2.gz YUBLWTKOMFIAFB-QGZVFWFLSA-N 1 0 300.471 4.104 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCC(C(F)(F)F)CC1 ZINC000474475339 339416477 /nfs/dbraw/zinc/41/64/77/339416477.db2.gz VKGRRLNFRLYMTD-JQRITLKVSA-N 1 0 310.363 4.405 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000475358625 339449101 /nfs/dbraw/zinc/44/91/01/339449101.db2.gz QHMXZPXHMSTANT-DZGCQCFKSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000475358628 339449109 /nfs/dbraw/zinc/44/91/09/339449109.db2.gz QHMXZPXHMSTANT-ZFWWWQNUSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000477336679 339492758 /nfs/dbraw/zinc/49/27/58/339492758.db2.gz IMYLJYCXQGPXRI-SFTDATJTSA-N 1 0 304.437 4.449 20 30 DIEDRO N#Cc1csc(C[NH2+]CCCCc2ccc(F)c(F)c2)c1 ZINC000479424304 339534404 /nfs/dbraw/zinc/53/44/04/339534404.db2.gz RTLMZLRQZSFVDA-UHFFFAOYSA-N 1 0 306.381 4.010 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000479576355 339541931 /nfs/dbraw/zinc/54/19/31/339541931.db2.gz HCJZXHGOMNEZNU-SSDOTTSWSA-N 1 0 303.221 4.133 20 30 DIEDRO Cn1cc(C[NH2+]CCCCC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000480000305 339554974 /nfs/dbraw/zinc/55/49/74/339554974.db2.gz RVRKBCDEAFERJN-UHFFFAOYSA-N 1 0 324.472 4.265 20 30 DIEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000480656750 339580310 /nfs/dbraw/zinc/58/03/10/339580310.db2.gz CLKKNTMVYDXVHM-GHMZBOCLSA-N 1 0 302.315 4.469 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccsc1Cl ZINC000480657300 339581311 /nfs/dbraw/zinc/58/13/11/339581311.db2.gz GOASRZYCSKPEGS-UHFFFAOYSA-N 1 0 322.886 4.296 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccc(C#N)cc1 ZINC000480655518 339581418 /nfs/dbraw/zinc/58/14/18/339581418.db2.gz XAVZNKRYBWFEBG-HNNXBMFYSA-N 1 0 306.409 4.198 20 30 DIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(F)(F)F ZINC000480667760 339582176 /nfs/dbraw/zinc/58/21/76/339582176.db2.gz KLWFRSPBDFAKMC-IUDNXUCKSA-N 1 0 310.363 4.179 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000480841025 339588603 /nfs/dbraw/zinc/58/86/03/339588603.db2.gz RPAJCSXVZRJRIJ-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000481372758 339602642 /nfs/dbraw/zinc/60/26/42/339602642.db2.gz GAPSOHONYXYALZ-SCLBCKFNSA-N 1 0 314.816 4.077 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCCc1ccncc1)c1ccc(F)c(F)c1 ZINC000481613502 339607740 /nfs/dbraw/zinc/60/77/40/339607740.db2.gz VYHYBCDNEJKVMP-GOSISDBHSA-N 1 0 302.368 4.199 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000482646374 339638850 /nfs/dbraw/zinc/63/88/50/339638850.db2.gz KWICIGDEUZAQKO-LJQANCHMSA-N 1 0 318.892 4.348 20 30 DIEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1OC(F)F ZINC000484094067 339680942 /nfs/dbraw/zinc/68/09/42/339680942.db2.gz OQUWDCREXFVBHJ-QGZVFWFLSA-N 1 0 315.363 4.380 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc2ncsc2c1 ZINC000485704241 339710318 /nfs/dbraw/zinc/71/03/18/339710318.db2.gz VYJAHEYDZZZUMM-LLVKDONJSA-N 1 0 311.385 4.158 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(c3c(F)cccc3F)CC2)c1 ZINC000485727983 339711513 /nfs/dbraw/zinc/71/15/13/339711513.db2.gz YPQRFNFWEJNRTD-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000488106503 339770464 /nfs/dbraw/zinc/77/04/64/339770464.db2.gz PBIGMUODNVDZJS-UHFFFAOYSA-N 1 0 319.452 4.252 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2c[nH]c3cccc(C)c23)cc1 ZINC000488531198 339786737 /nfs/dbraw/zinc/78/67/37/339786737.db2.gz SREQMSFJUAWAGC-UHFFFAOYSA-N 1 0 320.436 4.373 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc4c(c3)CCCC4)CC2)c1 ZINC000491363491 339859453 /nfs/dbraw/zinc/85/94/53/339859453.db2.gz VDBUDGWQFVPRHM-UHFFFAOYSA-N 1 0 302.421 4.216 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000499054930 340028816 /nfs/dbraw/zinc/02/88/16/340028816.db2.gz KQIGETPJVUPGCZ-UHFFFAOYSA-N 1 0 311.429 4.447 20 30 DIEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499531575 340038805 /nfs/dbraw/zinc/03/88/05/340038805.db2.gz MAMLUWSNXISSID-IAGOWNOFSA-N 1 0 306.494 4.281 20 30 DIEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499607899 340040695 /nfs/dbraw/zinc/04/06/95/340040695.db2.gz CNUNUOJPUPKHSE-FGTMMUONSA-N 1 0 306.494 4.137 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2C)cc(OC)c1O ZINC000500143559 340051146 /nfs/dbraw/zinc/05/11/46/340051146.db2.gz HXVOIOWKTKEIJW-WMLDXEAASA-N 1 0 303.446 4.045 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1 ZINC000500247629 340053904 /nfs/dbraw/zinc/05/39/04/340053904.db2.gz YXPJRTDQBYNQDL-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(C#N)c(C)c3)C2)cc1F ZINC000500465674 340059739 /nfs/dbraw/zinc/05/97/39/340059739.db2.gz WSEFXMOSNIPAFX-IYARVYRRSA-N 1 0 324.399 4.050 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC)c(OC)c1Cl)c1ccccc1 ZINC000500486049 340060416 /nfs/dbraw/zinc/06/04/16/340060416.db2.gz KAOTWQYJNJXPFL-UHFFFAOYSA-N 1 0 317.816 4.160 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)ccc1C#N ZINC000500503734 340060840 /nfs/dbraw/zinc/06/08/40/340060840.db2.gz PIDRAYMOUYNEGI-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000501217376 340076433 /nfs/dbraw/zinc/07/64/33/340076433.db2.gz KRJNRYWYDULLLT-UHFFFAOYSA-N 1 0 320.436 4.434 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000501237665 340076924 /nfs/dbraw/zinc/07/69/24/340076924.db2.gz HMVGSIJPHPCXDV-OAHLLOKOSA-N 1 0 306.409 4.292 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000501483901 340082116 /nfs/dbraw/zinc/08/21/16/340082116.db2.gz XHCTXLAURMNNJU-XLIONFOSSA-N 1 0 322.452 4.462 20 30 DIEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC1(C#N)CC1 ZINC000501543423 340083210 /nfs/dbraw/zinc/08/32/10/340083210.db2.gz YJPKHOOMUAFRTF-UHFFFAOYSA-N 1 0 322.456 4.025 20 30 DIEDRO C=CCCc1ccccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000502337314 340100167 /nfs/dbraw/zinc/10/01/67/340100167.db2.gz XIHHHHZLNMNQET-UHFFFAOYSA-N 1 0 321.468 4.277 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502386053 340101247 /nfs/dbraw/zinc/10/12/47/340101247.db2.gz FRPIOQDNDJDPRT-CVEARBPZSA-N 1 0 305.462 4.278 20 30 DIEDRO CC[C@@H]1C[C@]1([NH2+]Cc1ccc(CC#N)cc1)c1cccc(C)c1 ZINC000502512783 340106557 /nfs/dbraw/zinc/10/65/57/340106557.db2.gz SEHMRDZVUYUWDW-TZIWHRDSSA-N 1 0 304.437 4.476 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000502539085 340107175 /nfs/dbraw/zinc/10/71/75/340107175.db2.gz DPMKRZYLJZZRJA-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO COc1ccc(C)cc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549024 340107429 /nfs/dbraw/zinc/10/74/29/340107429.db2.gz RTNJYRKJHDKEAZ-UHFFFAOYSA-N 1 0 318.420 4.165 20 30 DIEDRO CC[C@H]1C[C@@]1([NH2+]Cc1cccc(C#N)c1F)c1cccc(C)c1 ZINC000502560817 340107797 /nfs/dbraw/zinc/10/77/97/340107797.db2.gz STYKALDKXGMLPZ-PXNSSMCTSA-N 1 0 308.400 4.421 20 30 DIEDRO CC[C@@H]1C[C@]1([NH2+]Cc1cccc(C#N)c1F)c1cccc(C)c1 ZINC000502560820 340107828 /nfs/dbraw/zinc/10/78/28/340107828.db2.gz STYKALDKXGMLPZ-YLJYHZDGSA-N 1 0 308.400 4.421 20 30 DIEDRO CC[C@H]1C[C@]1([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(C)c1 ZINC000502560611 340107837 /nfs/dbraw/zinc/10/78/37/340107837.db2.gz RTEGAWNIGVIUKX-GHTZIAJQSA-N 1 0 320.436 4.290 20 30 DIEDRO CC[C@@H]1C[C@@]1([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(C)c1 ZINC000502598028 340108831 /nfs/dbraw/zinc/10/88/31/340108831.db2.gz YNHCEICDNINAEV-XLIONFOSSA-N 1 0 308.400 4.421 20 30 DIEDRO C[C@H]1C[C@]1([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000503426654 340127994 /nfs/dbraw/zinc/12/79/94/340127994.db2.gz AGABAUNCRGPSDA-KPZWWZAWSA-N 1 0 314.791 4.376 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000503572440 340131080 /nfs/dbraw/zinc/13/10/80/340131080.db2.gz GBNQPAFIAFLKTJ-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO CC(C)[C@@H](C)[N@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000505261663 340164944 /nfs/dbraw/zinc/16/49/44/340164944.db2.gz YCKLDAZRXDNTER-MRXNPFEDSA-N 1 0 300.446 4.378 20 30 DIEDRO CC1(C#N)CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000506051335 340184322 /nfs/dbraw/zinc/18/43/22/340184322.db2.gz JNZFLUVMDKDGPC-UHFFFAOYSA-N 1 0 308.425 4.234 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc2c[nH]nc21 ZINC000506124250 340186267 /nfs/dbraw/zinc/18/62/67/340186267.db2.gz GKPKNRUYPHDSFL-UHFFFAOYSA-N 1 0 317.845 4.466 20 30 DIEDRO COc1ccc(CCC2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1 ZINC000506245250 340189881 /nfs/dbraw/zinc/18/98/81/340189881.db2.gz ICMVQNNOQXLBFD-UHFFFAOYSA-N 1 0 324.424 4.005 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000506310720 340191899 /nfs/dbraw/zinc/19/18/99/340191899.db2.gz PFEIXMGXPTYHHZ-UHFFFAOYSA-N 1 0 321.420 4.246 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)cs1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506414419 340194215 /nfs/dbraw/zinc/19/42/15/340194215.db2.gz DTKRUYVQHHDHDU-AWEZNQCLSA-N 1 0 314.454 4.081 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C2CC2)cc1 ZINC000506545065 340196394 /nfs/dbraw/zinc/19/63/94/340196394.db2.gz IFOAMJXGZLSJGH-TZIWHRDSSA-N 1 0 302.421 4.326 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)Cc2ccc(F)cc2)cc1OC ZINC000506767883 340201250 /nfs/dbraw/zinc/20/12/50/340201250.db2.gz QPWDDJUAAVZBLP-UHFFFAOYSA-N 1 0 315.388 4.031 20 30 DIEDRO CC[N@H+](CCc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000507175530 340211268 /nfs/dbraw/zinc/21/12/68/340211268.db2.gz WDOVSTIAAMOQMW-UHFFFAOYSA-N 1 0 322.452 4.434 20 30 DIEDRO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507221481 340214335 /nfs/dbraw/zinc/21/43/35/340214335.db2.gz KHWQDBURKZHWIL-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000507221480 340214459 /nfs/dbraw/zinc/21/44/59/340214459.db2.gz KHWQDBURKZHWIL-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO COc1ccc(F)c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000507253273 340215809 /nfs/dbraw/zinc/21/58/09/340215809.db2.gz PWNSOUUDHPISNV-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO CC(C)CCOCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630739 340226905 /nfs/dbraw/zinc/22/69/05/340226905.db2.gz SBHJOGSVKFOPKE-UHFFFAOYSA-N 1 0 314.473 4.043 20 30 DIEDRO CCCC[C@@H](COC)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507644609 340227138 /nfs/dbraw/zinc/22/71/38/340227138.db2.gz NDLBVUYGNPVQGZ-GPJFCIFZSA-N 1 0 314.473 4.185 20 30 DIEDRO CC(C)CCOc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000507712472 340229215 /nfs/dbraw/zinc/22/92/15/340229215.db2.gz CRXKDUQEESTOGX-UHFFFAOYSA-N 1 0 300.446 4.237 20 30 DIEDRO CC[C@@H]1C[C@@H](C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000507801420 340232041 /nfs/dbraw/zinc/23/20/41/340232041.db2.gz DNUVFSQKUNNMRM-HHXXYDBFSA-N 1 0 300.446 4.146 20 30 DIEDRO C[C@H](c1cccc(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507807928 340232542 /nfs/dbraw/zinc/23/25/42/340232542.db2.gz QKQSELYVVSGGII-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507817592 340233064 /nfs/dbraw/zinc/23/30/64/340233064.db2.gz CEUBYGRHXVHPLF-HNNXBMFYSA-N 1 0 324.399 4.302 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000507860162 340234457 /nfs/dbraw/zinc/23/44/57/340234457.db2.gz MQZUTQCEEHXEME-UHFFFAOYSA-N 1 0 320.436 4.034 20 30 DIEDRO C=CCOc1cccc(CNc2[nH+]ccn2Cc2ccccc2)c1 ZINC000508482426 340244500 /nfs/dbraw/zinc/24/45/00/340244500.db2.gz DJRMNCVDTYWDNK-UHFFFAOYSA-N 1 0 319.408 4.108 20 30 DIEDRO C=C(C)CCc1noc(-c2ccc(C[N@@H+](CC)C3CC3)cc2)n1 ZINC000508606230 340247725 /nfs/dbraw/zinc/24/77/25/340247725.db2.gz VSPXLWDPXLROCH-UHFFFAOYSA-N 1 0 311.429 4.230 20 30 DIEDRO CC[N@H+](Cc1ccccc1N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000508605314 340247871 /nfs/dbraw/zinc/24/78/71/340247871.db2.gz QURBTDYWNDWZAF-INIZCTEOSA-N 1 0 307.441 4.207 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000508610404 340248153 /nfs/dbraw/zinc/24/81/53/340248153.db2.gz XDFDWGHLIJQNJA-UHFFFAOYSA-N 1 0 323.396 4.187 20 30 DIEDRO C=C(C)CC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000509343238 340266776 /nfs/dbraw/zinc/26/67/76/340266776.db2.gz OHLOUIAATZNXAW-UHFFFAOYSA-N 1 0 324.827 4.096 20 30 DIEDRO CCN(Cc1ccc(OC)c(OCCC(C)C)c1)C[C@@H](C)C#N ZINC000509767132 340278749 /nfs/dbraw/zinc/27/87/49/340278749.db2.gz RYMJZKVHWGKDSV-INIZCTEOSA-N 1 0 318.461 4.102 20 30 DIEDRO CCN(Cc1ccc(-c2cccc(F)c2C)o1)C[C@@H](C)C#N ZINC000509799046 340279345 /nfs/dbraw/zinc/27/93/45/340279345.db2.gz LTXXWHOVAFVCJR-ZDUSSCGKSA-N 1 0 300.377 4.376 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)CCCC ZINC000302834540 340283295 /nfs/dbraw/zinc/28/32/95/340283295.db2.gz UWZOKMDKTLRFOQ-UHFFFAOYSA-N 1 0 306.475 4.025 20 30 DIEDRO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000510240415 340293782 /nfs/dbraw/zinc/29/37/82/340293782.db2.gz JNEVNRBKPIWHSM-DOTOQJQBSA-N 1 0 300.446 4.408 20 30 DIEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000510240417 340293800 /nfs/dbraw/zinc/29/38/00/340293800.db2.gz JNEVNRBKPIWHSM-RDJZCZTQSA-N 1 0 300.446 4.408 20 30 DIEDRO C[N@H+](CCCOc1cccc(Cl)c1)CC(C)(C)CCC#N ZINC000510421276 340298817 /nfs/dbraw/zinc/29/88/17/340298817.db2.gz JUYNZELNXDXSNE-UHFFFAOYSA-N 1 0 308.853 4.371 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC(OCCC(C)C)CC2)cc1 ZINC000510534850 340302037 /nfs/dbraw/zinc/30/20/37/340302037.db2.gz SEFRVRSLNKSZNS-UHFFFAOYSA-N 1 0 317.473 4.279 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000510748102 340309487 /nfs/dbraw/zinc/30/94/87/340309487.db2.gz JAHLUZIIICYNJU-UHFFFAOYSA-N 1 0 303.837 4.042 20 30 DIEDRO N#CC1(F)CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000510888205 340313922 /nfs/dbraw/zinc/31/39/22/340313922.db2.gz UWQQTAYZCYCGPT-UHFFFAOYSA-N 1 0 300.421 4.288 20 30 DIEDRO C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1CCC(C#N)CC1 ZINC000510946210 340315887 /nfs/dbraw/zinc/31/58/87/340315887.db2.gz VECUVKAOTBLTSW-NFOMZHRRSA-N 1 0 306.400 4.205 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(NC(C)=O)c1)CC1CCCCC1 ZINC000303436680 340325429 /nfs/dbraw/zinc/32/54/29/340325429.db2.gz GKRGTOCBKUFWRD-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO C=CC[N@@H+](Cc1nc(-c2ccsc2)no1)CC1CCCCC1 ZINC000303441171 340325701 /nfs/dbraw/zinc/32/57/01/340325701.db2.gz HSMDWJIWDVQLHE-UHFFFAOYSA-N 1 0 317.458 4.366 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)CCC(F)(F)F)cc1Cl ZINC000511760154 340337501 /nfs/dbraw/zinc/33/75/01/340337501.db2.gz VYCPAZKUQVQIIT-UHFFFAOYSA-N 1 0 307.743 4.289 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc2cc[nH]c21 ZINC000512069852 340347630 /nfs/dbraw/zinc/34/76/30/340347630.db2.gz ZDTJAHHGCVAEFV-UHFFFAOYSA-N 1 0 301.393 4.228 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(F)F)cc1 ZINC000512212745 340352578 /nfs/dbraw/zinc/35/25/78/340352578.db2.gz PBDUPHXFOAALEU-UHFFFAOYSA-N 1 0 321.367 4.288 20 30 DIEDRO C=C(C)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000512395649 340360333 /nfs/dbraw/zinc/36/03/33/340360333.db2.gz YSRNKTVGQBRCES-UHFFFAOYSA-N 1 0 323.259 4.238 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000512532719 340365735 /nfs/dbraw/zinc/36/57/35/340365735.db2.gz UNAKLEUHNWBHRO-KRWDZBQOSA-N 1 0 322.456 4.475 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000512551570 340366630 /nfs/dbraw/zinc/36/66/30/340366630.db2.gz FGPFPNYNAYRBCM-UYAOXDASSA-N 1 0 322.452 4.462 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2c(F)cccc2SC)c1 ZINC000512581585 340367955 /nfs/dbraw/zinc/36/79/55/340367955.db2.gz IVDWREPRMAQCML-UHFFFAOYSA-N 1 0 317.429 4.402 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000512591559 340368199 /nfs/dbraw/zinc/36/81/99/340368199.db2.gz YIFPFFMOMNVCKW-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCC(CC)[C@@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1F)OC ZINC000512614233 340369111 /nfs/dbraw/zinc/36/91/11/340369111.db2.gz VHEPZDRJJSKOGG-SCLBCKFNSA-N 1 0 306.425 4.189 20 30 DIEDRO Cc1cccc2c(CC[NH2+][C@@H](C)c3ccc(C#N)cc3F)c[nH]c21 ZINC000512625899 340369771 /nfs/dbraw/zinc/36/97/71/340369771.db2.gz QVYYAZVXNHDQJS-AWEZNQCLSA-N 1 0 321.399 4.380 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)s1 ZINC000512643777 340370597 /nfs/dbraw/zinc/37/05/97/340370597.db2.gz YJOGWOUWVGWHNY-DGCLKSJQSA-N 1 0 302.418 4.349 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652777 340371133 /nfs/dbraw/zinc/37/11/33/340371133.db2.gz BJUXPAXPGMYBLT-NVXWUHKLSA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000512661182 340371727 /nfs/dbraw/zinc/37/17/27/340371727.db2.gz QHEBCRXMOHQURP-JSGCOSHPSA-N 1 0 300.377 4.271 20 30 DIEDRO C[C@H](NCCC[N@H+](C)C1CCCCC1)c1ccc(C#N)cc1F ZINC000512664911 340371879 /nfs/dbraw/zinc/37/18/79/340371879.db2.gz CAYZFAILXRDPKY-HNNXBMFYSA-N 1 0 317.452 4.003 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+]CC1CCC(C#N)CC1 ZINC000513490616 340410439 /nfs/dbraw/zinc/41/04/39/340410439.db2.gz OLUKFHFFDGXXLB-LFIBNONCSA-N 1 0 312.457 4.156 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2ccsc2S1 ZINC000404853642 340417662 /nfs/dbraw/zinc/41/76/62/340417662.db2.gz RXLNPHOQNDGRGQ-ZUZCIYMTSA-N 1 0 318.442 4.474 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)CC1 ZINC000177906021 340445368 /nfs/dbraw/zinc/44/53/68/340445368.db2.gz ZXMGUFRNWOLAAE-MRXNPFEDSA-N 1 0 312.457 4.351 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000178645295 340451133 /nfs/dbraw/zinc/45/11/33/340451133.db2.gz VBIXMJYQIPDLEK-RYUDHWBXSA-N 1 0 315.244 4.433 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178655054 340451284 /nfs/dbraw/zinc/45/12/84/340451284.db2.gz QULVKRCCQYMAHN-CQSZACIVSA-N 1 0 312.369 4.010 20 30 DIEDRO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(C#N)CC1 ZINC000183415559 340487743 /nfs/dbraw/zinc/48/77/43/340487743.db2.gz LWBUGIBGOXPSNR-UHFFFAOYSA-N 1 0 306.409 4.098 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185858939 340505915 /nfs/dbraw/zinc/50/59/15/340505915.db2.gz QNSPLHMZTZZZSO-IPYPFGDCSA-N 1 0 321.262 4.052 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000186434258 340512680 /nfs/dbraw/zinc/51/26/80/340512680.db2.gz FKGGYYGDUJOMKJ-AWEZNQCLSA-N 1 0 310.344 4.055 20 30 DIEDRO C=CC[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000186635901 340514985 /nfs/dbraw/zinc/51/49/85/340514985.db2.gz FSDFAWPSQXIXAN-IBGZPJMESA-N 1 0 308.425 4.047 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191279936 340552268 /nfs/dbraw/zinc/55/22/68/340552268.db2.gz JMGNVBYUXBTYDC-OAHLLOKOSA-N 1 0 313.445 4.188 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccccc1 ZINC000191819601 340559332 /nfs/dbraw/zinc/55/93/32/340559332.db2.gz AQJZTSJEYMJITL-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192365814 340566611 /nfs/dbraw/zinc/56/66/11/340566611.db2.gz WHTQJQFSNJOZEG-IBGZPJMESA-N 1 0 320.436 4.361 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000522627551 340605931 /nfs/dbraw/zinc/60/59/31/340605931.db2.gz MKBXBUCZWDWVAD-VQIMIIECSA-N 1 0 308.425 4.229 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000236689439 340663897 /nfs/dbraw/zinc/66/38/97/340663897.db2.gz COZRQVQVWFSMTQ-QGZVFWFLSA-N 1 0 309.434 4.025 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000237310529 340669891 /nfs/dbraw/zinc/66/98/91/340669891.db2.gz RJSUPLKPBBLPRS-INIZCTEOSA-N 1 0 311.425 4.068 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CCCC2CCCC2)c1 ZINC000237818999 340674198 /nfs/dbraw/zinc/67/41/98/340674198.db2.gz XCXBAHLEPSWUDD-UHFFFAOYSA-N 1 0 300.446 4.429 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000525272249 340698029 /nfs/dbraw/zinc/69/80/29/340698029.db2.gz GQCMQZSMFVTMSH-UHFFFAOYSA-N 1 0 312.457 4.120 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000123778668 340794846 /nfs/dbraw/zinc/79/48/46/340794846.db2.gz TVFRQXDTZCSTBY-UHFFFAOYSA-N 1 0 300.402 4.290 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000125347515 340803712 /nfs/dbraw/zinc/80/37/12/340803712.db2.gz IJTRZPLOVDBNBT-UHFFFAOYSA-N 1 0 323.392 4.296 20 30 DIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000538087569 340808972 /nfs/dbraw/zinc/80/89/72/340808972.db2.gz CMSAXFGDQZOOQN-CPUCHLNUSA-N 1 0 317.864 4.053 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)c1ccc(Cl)cc1Cl ZINC000538198313 340812976 /nfs/dbraw/zinc/81/29/76/340812976.db2.gz QHLYSIILIBZUOB-XHDPSFHLSA-N 1 0 302.245 4.219 20 30 DIEDRO C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(C#N)cc1 ZINC000538396019 340820863 /nfs/dbraw/zinc/82/08/63/340820863.db2.gz WJPAJLAMLBXQFN-CYBMUJFWSA-N 1 0 307.372 4.072 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538507576 340829527 /nfs/dbraw/zinc/82/95/27/340829527.db2.gz NZKNXUQWISLPEI-XIKOKIGWSA-N 1 0 310.372 4.044 20 30 DIEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CCC(C)(C)C#N ZINC000538512472 340830288 /nfs/dbraw/zinc/83/02/88/340830288.db2.gz RJKYQFTVMCSELM-MRXNPFEDSA-N 1 0 306.425 4.149 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CCC(C)(C)C#N)ccc1OC(C)C ZINC000538513080 340830313 /nfs/dbraw/zinc/83/03/13/340830313.db2.gz TXZPPFNGBGKIFT-CQSZACIVSA-N 1 0 304.434 4.073 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000539051971 340867977 /nfs/dbraw/zinc/86/79/77/340867977.db2.gz RRJLPVCYQXUMOE-WMZOPIPTSA-N 1 0 321.436 4.043 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(OC(F)F)cc1 ZINC000539219190 340877213 /nfs/dbraw/zinc/87/72/13/340877213.db2.gz CJLNNLFTTAWPOB-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000539494999 340887192 /nfs/dbraw/zinc/88/71/92/340887192.db2.gz BFDIIJHLUXZGOF-STQMWFEESA-N 1 0 300.352 4.291 20 30 DIEDRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000539497809 340887696 /nfs/dbraw/zinc/88/76/96/340887696.db2.gz YPJPQRVFOKCJOF-JKSUJKDBSA-N 1 0 308.425 4.411 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000539509560 340888632 /nfs/dbraw/zinc/88/86/32/340888632.db2.gz XBAUAFIPOOQYLU-KBPBESRZSA-N 1 0 304.434 4.049 20 30 DIEDRO C=C[C@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000128510263 340891575 /nfs/dbraw/zinc/89/15/75/340891575.db2.gz ISACLDYTPPKCTI-GOSISDBHSA-N 1 0 322.452 4.089 20 30 DIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539610871 340892686 /nfs/dbraw/zinc/89/26/86/340892686.db2.gz FZKFPBSPKPEKGW-KGLIPLIRSA-N 1 0 312.388 4.075 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000540355129 340928308 /nfs/dbraw/zinc/92/83/08/340928308.db2.gz WSKNFWJYOBIYQS-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO Cc1cc(F)ccc1CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540706126 340942363 /nfs/dbraw/zinc/94/23/63/340942363.db2.gz AVLVOFXNJWZILM-CYBMUJFWSA-N 1 0 300.352 4.038 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541085264 340958596 /nfs/dbraw/zinc/95/85/96/340958596.db2.gz IATPFQBNPDUWGC-KKSFZXQISA-N 1 0 320.436 4.203 20 30 DIEDRO CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(CC#N)cc1)C2 ZINC000542211522 341000336 /nfs/dbraw/zinc/00/03/36/341000336.db2.gz BWTXIOIPNUWTBP-UHFFFAOYSA-N 1 0 320.436 4.100 20 30 DIEDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211672 341000389 /nfs/dbraw/zinc/00/03/89/341000389.db2.gz KNWQJSZIXBYPHY-CYBMUJFWSA-N 1 0 300.352 4.224 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1OC(F)F ZINC000542253199 341002112 /nfs/dbraw/zinc/00/21/12/341002112.db2.gz KAMJCRKYWMZXEI-CYBMUJFWSA-N 1 0 316.351 4.205 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000542276942 341002936 /nfs/dbraw/zinc/00/29/36/341002936.db2.gz FIPWFJWUDBADGJ-FOIQADDNSA-N 1 0 308.400 4.475 20 30 DIEDRO N#Cc1ccc(CN(Cc2cnc(C3CC3)s2)C2CC2)cc1 ZINC000542482550 341009421 /nfs/dbraw/zinc/00/94/21/341009421.db2.gz LXWGVYGFSKLBAH-UHFFFAOYSA-N 1 0 309.438 4.057 20 30 DIEDRO COc1ccc(C2(C[NH2+][C@H](C)c3ccc(C#N)cc3)CCC2)cc1 ZINC000542488757 341010086 /nfs/dbraw/zinc/01/00/86/341010086.db2.gz WHVXJCHTPCGNHU-MRXNPFEDSA-N 1 0 320.436 4.339 20 30 DIEDRO C=C(C)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000542518173 341011806 /nfs/dbraw/zinc/01/18/06/341011806.db2.gz OTSOLDGTPGQVAE-QGZVFWFLSA-N 1 0 308.416 4.046 20 30 DIEDRO C=CC[N@H+](CCCOCc1ccccc1)Cc1cccc(C#N)c1 ZINC000542520881 341011939 /nfs/dbraw/zinc/01/19/39/341011939.db2.gz NWADSSJJSNRQCO-UHFFFAOYSA-N 1 0 320.436 4.153 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000542551174 341013196 /nfs/dbraw/zinc/01/31/96/341013196.db2.gz XYCOYUWBWWDLKZ-HXUWFJFHSA-N 1 0 310.416 4.249 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000130404908 341020932 /nfs/dbraw/zinc/02/09/32/341020932.db2.gz WZKXNLNBDHHIGG-GOSISDBHSA-N 1 0 317.392 4.075 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000542849688 341023389 /nfs/dbraw/zinc/02/33/89/341023389.db2.gz GQJNMWFUNJHECA-UHFFFAOYSA-N 1 0 320.436 4.391 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946836 341026914 /nfs/dbraw/zinc/02/69/14/341026914.db2.gz AESVANUURZKPQZ-ONGXBYRLSA-N 1 0 320.436 4.179 20 30 DIEDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033913 341028953 /nfs/dbraw/zinc/02/89/53/341028953.db2.gz RWVKBZGARFZCBS-YWZLYKJASA-N 1 0 308.425 4.301 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000543107171 341032342 /nfs/dbraw/zinc/03/23/42/341032342.db2.gz IMRKKXKTDASQTJ-XYCLOBBJSA-N 1 0 312.457 4.439 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCCC(C)(C)C#N)c1 ZINC000543173001 341035109 /nfs/dbraw/zinc/03/51/09/341035109.db2.gz YKOIUTMLJWJHIE-YJBOKZPZSA-N 1 0 300.446 4.408 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000543185974 341035823 /nfs/dbraw/zinc/03/58/23/341035823.db2.gz CQRIBLBFQFFUOO-UHFFFAOYSA-N 1 0 300.352 4.056 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)c1 ZINC000543187712 341035991 /nfs/dbraw/zinc/03/59/91/341035991.db2.gz HMCLNPRSGSWSGX-INIZCTEOSA-N 1 0 308.425 4.391 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(-c2ccncc2)c1 ZINC000130769002 341042234 /nfs/dbraw/zinc/04/22/34/341042234.db2.gz LYDJFMGWDCQWJP-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO COc1ccc([C@@H](C)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543413534 341043127 /nfs/dbraw/zinc/04/31/27/341043127.db2.gz RTXPFMVOCRLVRH-INIZCTEOSA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543415026 341043169 /nfs/dbraw/zinc/04/31/69/341043169.db2.gz FIVMWFIZBRAJAY-IFXJQAMLSA-N 1 0 308.450 4.381 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543415027 341043188 /nfs/dbraw/zinc/04/31/88/341043188.db2.gz FIVMWFIZBRAJAY-KUHUBIRLSA-N 1 0 308.450 4.381 20 30 DIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000543487122 341047112 /nfs/dbraw/zinc/04/71/12/341047112.db2.gz KYZLDUOSUWCZSP-CVEARBPZSA-N 1 0 320.502 4.014 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000543603776 341050854 /nfs/dbraw/zinc/05/08/54/341050854.db2.gz WPOBXUIYVPCSPB-SNVBAGLBSA-N 1 0 322.758 4.077 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000130907716 341053653 /nfs/dbraw/zinc/05/36/53/341053653.db2.gz VMNLOVHMHXDLOJ-LLVKDONJSA-N 1 0 304.315 4.169 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000567523609 341055998 /nfs/dbraw/zinc/05/59/98/341055998.db2.gz GEQRQJBWYGODMD-UHFFFAOYSA-N 1 0 306.475 4.025 20 30 DIEDRO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CC#N)CC1 ZINC000543811885 341060230 /nfs/dbraw/zinc/06/02/30/341060230.db2.gz XOUFUSWCOZCMRT-GFCCVEGCSA-N 1 0 312.335 4.272 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(N2CCCC2)c1 ZINC000544117909 341070792 /nfs/dbraw/zinc/07/07/92/341070792.db2.gz VGAGEHABMBZFLQ-KRWDZBQOSA-N 1 0 319.452 4.204 20 30 DIEDRO N#CCc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000544117587 341070871 /nfs/dbraw/zinc/07/08/71/341070871.db2.gz RRWZJCGWKIADDH-UHFFFAOYSA-N 1 0 312.363 4.200 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000544121577 341071111 /nfs/dbraw/zinc/07/11/11/341071111.db2.gz JWMRTASQYQBJPR-INIZCTEOSA-N 1 0 308.425 4.391 20 30 DIEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000544144051 341072232 /nfs/dbraw/zinc/07/22/32/341072232.db2.gz OEUCWQUYZHADCQ-UTKZUKDTSA-N 1 0 304.437 4.206 20 30 DIEDRO C[C@H](CCC(F)(F)F)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000544370352 341078641 /nfs/dbraw/zinc/07/86/41/341078641.db2.gz JJYMGHCFHMDIGZ-LLVKDONJSA-N 1 0 323.280 4.378 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000544421884 341081507 /nfs/dbraw/zinc/08/15/07/341081507.db2.gz OOZNOQIMRPWKMI-RYUDHWBXSA-N 1 0 317.399 4.458 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000544569553 341086185 /nfs/dbraw/zinc/08/61/85/341086185.db2.gz IAYVPQPYVMXIKH-LJQANCHMSA-N 1 0 318.892 4.348 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545157458 341110678 /nfs/dbraw/zinc/11/06/78/341110678.db2.gz JKLQJYCMDCVNPX-FUHWJXTLSA-N 1 0 317.864 4.497 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000132348351 341121101 /nfs/dbraw/zinc/12/11/01/341121101.db2.gz ZMGIHXUWYKCTKQ-UHFFFAOYSA-N 1 0 308.853 4.265 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000545904732 341145309 /nfs/dbraw/zinc/14/53/09/341145309.db2.gz BQVCTAOJEUPMJB-HNNXBMFYSA-N 1 0 308.425 4.037 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1cccc(C#N)c1 ZINC000545941089 341147477 /nfs/dbraw/zinc/14/74/77/341147477.db2.gz HVXFMCSDBHRTDH-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 ZINC000546228754 341158124 /nfs/dbraw/zinc/15/81/24/341158124.db2.gz VYMRUAAYEQWPLP-INIZCTEOSA-N 1 0 304.437 4.482 20 30 DIEDRO C[N@H+](CCCSCC#N)Cc1ccccc1-c1ccccc1 ZINC000074989930 341159074 /nfs/dbraw/zinc/15/90/74/341159074.db2.gz ZIFMJJLWUSIICB-UHFFFAOYSA-N 1 0 310.466 4.432 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 ZINC000546918236 341186379 /nfs/dbraw/zinc/18/63/79/341186379.db2.gz VYMRUAAYEQWPLP-MRXNPFEDSA-N 1 0 304.437 4.482 20 30 DIEDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236944247 341204781 /nfs/dbraw/zinc/20/47/81/341204781.db2.gz CBQVAUVWBAHMQO-SJLPKXTDSA-N 1 0 300.446 4.428 20 30 DIEDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236947967 341204927 /nfs/dbraw/zinc/20/49/27/341204927.db2.gz CBQVAUVWBAHMQO-AEFFLSMTSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)o1)c1c(Cl)cccc1Cl ZINC000237536393 341215335 /nfs/dbraw/zinc/21/53/35/341215335.db2.gz OBRFLQCMWCBHJO-SNVBAGLBSA-N 1 0 309.196 4.351 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1C#N ZINC000134958454 341227172 /nfs/dbraw/zinc/22/71/72/341227172.db2.gz RTJUKXJSENNZPX-GFCCVEGCSA-N 1 0 316.351 4.038 20 30 DIEDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1C#N ZINC000134985786 341228006 /nfs/dbraw/zinc/22/80/06/341228006.db2.gz WKPCERHPHIPCAQ-IBGZPJMESA-N 1 0 321.424 4.079 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1OC(F)F ZINC000135674858 341243820 /nfs/dbraw/zinc/24/38/20/341243820.db2.gz DJSOJRXKQRGISU-SNVBAGLBSA-N 1 0 308.353 4.072 20 30 DIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)c1 ZINC000135680186 341244058 /nfs/dbraw/zinc/24/40/58/341244058.db2.gz RUXWLDPGNRVMHH-CYBMUJFWSA-N 1 0 300.427 4.258 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)c1 ZINC000548078451 341245988 /nfs/dbraw/zinc/24/59/88/341245988.db2.gz LZZFTPCWSFTIJG-UHFFFAOYSA-N 1 0 320.436 4.141 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2ccncc2C#N)cc1 ZINC000548153545 341249931 /nfs/dbraw/zinc/24/99/31/341249931.db2.gz VFCOGYBCGBBAQB-HNNXBMFYSA-N 1 0 306.413 4.071 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000078970252 341250789 /nfs/dbraw/zinc/25/07/89/341250789.db2.gz MGAMIDBRHGBGQB-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(C)s2)cc1 ZINC000080242832 341271426 /nfs/dbraw/zinc/27/14/26/341271426.db2.gz CQXVNWBVXBWDNM-AWEZNQCLSA-N 1 0 301.455 4.342 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)Cc2ccc(C)s2)cc1 ZINC000080242828 341271479 /nfs/dbraw/zinc/27/14/79/341271479.db2.gz CQXVNWBVXBWDNM-CQSZACIVSA-N 1 0 301.455 4.342 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000080534086 341273956 /nfs/dbraw/zinc/27/39/56/341273956.db2.gz MZBZUBQZQDEYBF-NHCUHLMSSA-N 1 0 320.436 4.124 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000548885027 341279871 /nfs/dbraw/zinc/27/98/71/341279871.db2.gz UNTZPPYZTPEJRL-HFDQKHQFSA-N 1 0 310.441 4.026 20 30 DIEDRO CC(C)(C#N)CCCCN1CC[C@@](F)(c2ccccc2F)C1 ZINC000549081454 341285678 /nfs/dbraw/zinc/28/56/78/341285678.db2.gz VRLRIGYCEDZUSG-SFHVURJKSA-N 1 0 306.400 4.416 20 30 DIEDRO C=C(C)CC[NH2+][C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549117223 341286274 /nfs/dbraw/zinc/28/62/74/341286274.db2.gz LIRKPTZAOCLHTQ-DLBZAZTESA-N 1 0 310.844 4.170 20 30 DIEDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000549159865 341287413 /nfs/dbraw/zinc/28/74/13/341287413.db2.gz YFKMUURLQOAMAN-CQSZACIVSA-N 1 0 324.428 4.009 20 30 DIEDRO CSc1ccc(OCC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000549169490 341287791 /nfs/dbraw/zinc/28/77/91/341287791.db2.gz ZINNBYHYCCQRMR-AWEZNQCLSA-N 1 0 312.438 4.010 20 30 DIEDRO C=CCCCCCN(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549380898 341292752 /nfs/dbraw/zinc/29/27/52/341292752.db2.gz DCEIZVRIKFAGSZ-UHFFFAOYSA-N 1 0 314.473 4.101 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000549377668 341292777 /nfs/dbraw/zinc/29/27/77/341292777.db2.gz MYVWMQJAXQQJGQ-SFHVURJKSA-N 1 0 314.379 4.379 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000549474041 341295419 /nfs/dbraw/zinc/29/54/19/341295419.db2.gz YGDLUNFIXSHUJO-MSOLQXFVSA-N 1 0 308.416 4.044 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000549537278 341296844 /nfs/dbraw/zinc/29/68/44/341296844.db2.gz XYYBXLLYTMBYRD-ACJLOTCBSA-N 1 0 312.363 4.336 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000549709694 341300995 /nfs/dbraw/zinc/30/09/95/341300995.db2.gz NGPNRAVQYFITDE-WPGHFRTFSA-N 1 0 324.346 4.318 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000549709695 341301045 /nfs/dbraw/zinc/30/10/45/341301045.db2.gz NGPNRAVQYFITDE-XFJVYGCCSA-N 1 0 324.346 4.318 20 30 DIEDRO N#Cc1csc(C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000549831564 341304465 /nfs/dbraw/zinc/30/44/65/341304465.db2.gz ZNFFAWITHQNFPU-OAHLLOKOSA-N 1 0 324.371 4.446 20 30 DIEDRO C=CCOCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000549928261 341306986 /nfs/dbraw/zinc/30/69/86/341306986.db2.gz LQIAOXOZUHKWIC-OAHLLOKOSA-N 1 0 301.352 4.195 20 30 DIEDRO N#CCCOCC[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000550075349 341309547 /nfs/dbraw/zinc/30/95/47/341309547.db2.gz YNMYRPPDXALBJH-ROUUACIJSA-N 1 0 320.864 4.276 20 30 DIEDRO COc1cc(C[NH2+]CCc2cc3ccccc3s2)ccc1C#N ZINC000550270827 341314016 /nfs/dbraw/zinc/31/40/16/341314016.db2.gz DITYBLSGNGZCMO-UHFFFAOYSA-N 1 0 322.433 4.114 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000245945318 341319152 /nfs/dbraw/zinc/31/91/52/341319152.db2.gz KJQCUBMAEIBMGP-ZMYBRWDISA-N 1 0 300.446 4.193 20 30 DIEDRO CC(F)(F)c1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000550857838 341324735 /nfs/dbraw/zinc/32/47/35/341324735.db2.gz ZUJYWPVBSWUZRH-SFHVURJKSA-N 1 0 312.363 4.447 20 30 DIEDRO C[C@@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)C[C@H]1c1ccccc1 ZINC000550858654 341324855 /nfs/dbraw/zinc/32/48/55/341324855.db2.gz FMAJTLWNMMKENY-ACRUOGEOSA-N 1 0 302.421 4.329 20 30 DIEDRO CCOC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)CCCC1 ZINC000550885523 341325529 /nfs/dbraw/zinc/32/55/29/341325529.db2.gz ICMMTYHNKAQIFG-ZDUSSCGKSA-N 1 0 306.837 4.212 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009182 341329093 /nfs/dbraw/zinc/32/90/93/341329093.db2.gz QTPIMQWWEOOCGQ-ORYQWCPZSA-N 1 0 319.452 4.044 20 30 DIEDRO CCCOc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000551230365 341334588 /nfs/dbraw/zinc/33/45/88/341334588.db2.gz YHUSQFIASUBZCK-UHFFFAOYSA-N 1 0 306.409 4.126 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000551241713 341335182 /nfs/dbraw/zinc/33/51/82/341335182.db2.gz VQAZUMVAFXXVFW-ZDUSSCGKSA-N 1 0 300.368 4.367 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000551272691 341336588 /nfs/dbraw/zinc/33/65/88/341336588.db2.gz NMYBEYBMUDLKOO-SESVDKBCSA-N 1 0 302.421 4.329 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2ccccc2n1 ZINC000551558461 341345469 /nfs/dbraw/zinc/34/54/69/341345469.db2.gz RFBGJOZBYFFTTP-OAHLLOKOSA-N 1 0 313.404 4.446 20 30 DIEDRO CCSc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000551581281 341346351 /nfs/dbraw/zinc/34/63/51/341346351.db2.gz HGPNQVHKHGLOAV-UHFFFAOYSA-N 1 0 308.450 4.449 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCCCC)cc1 ZINC000551778635 341351047 /nfs/dbraw/zinc/35/10/47/341351047.db2.gz LBTNZSOJPUKSIS-HQRMLTQVSA-N 1 0 317.473 4.497 20 30 DIEDRO Cc1cc(C(C)(C)C)cc(C)c1CC[NH2+]C[C@@H](C#N)CCC#N ZINC000551909765 341354759 /nfs/dbraw/zinc/35/47/59/341354759.db2.gz QFYSXFZSASRWPT-QGZVFWFLSA-N 1 0 311.473 4.177 20 30 DIEDRO Cn1cc(C[NH2+]CC(C)(C)C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000552060218 341366062 /nfs/dbraw/zinc/36/60/62/341366062.db2.gz KKQAGZNZJRRLCC-UHFFFAOYSA-N 1 0 324.472 4.121 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CCCC(F)(F)F)cc1 ZINC000552088725 341368854 /nfs/dbraw/zinc/36/88/54/341368854.db2.gz QOOVWLIAKUQGNY-CYBMUJFWSA-N 1 0 301.352 4.462 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1ccco1 ZINC000552249032 341381301 /nfs/dbraw/zinc/38/13/01/341381301.db2.gz ZWUGIQGQAACIGY-YJBOKZPZSA-N 1 0 315.413 4.353 20 30 DIEDRO C=CCC[C@@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000552276452 341383362 /nfs/dbraw/zinc/38/33/62/341383362.db2.gz YIRPHFFFSBQMDQ-ZWKOTPCHSA-N 1 0 304.478 4.245 20 30 DIEDRO COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248700490 341384734 /nfs/dbraw/zinc/38/47/34/341384734.db2.gz AEIUBURNSOOYFG-HGHGUNKESA-N 1 0 320.436 4.457 20 30 DIEDRO N#Cc1csc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000552316504 341386049 /nfs/dbraw/zinc/38/60/49/341386049.db2.gz CFRYQDBTTYTBMJ-CQSZACIVSA-N 1 0 302.830 4.263 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3ccc(OC)cc32)cc1 ZINC000552319843 341386125 /nfs/dbraw/zinc/38/61/25/341386125.db2.gz QRJHYWYJCIEYKG-OAQYLSRUSA-N 1 0 323.436 4.427 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1Cl)c1ccc2n[nH]cc2c1 ZINC000552339611 341387813 /nfs/dbraw/zinc/38/78/13/341387813.db2.gz AHUKQAZRCJIZLR-NEPJUHHUSA-N 1 0 324.815 4.500 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044504 341412826 /nfs/dbraw/zinc/41/28/26/341412826.db2.gz VOAUTFRTGNYXAH-HNNXBMFYSA-N 1 0 315.486 4.472 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3ccccc3Cl)C2)s1 ZINC000553843295 341436964 /nfs/dbraw/zinc/43/69/64/341436964.db2.gz HIXFTVFDJBXOGW-UHFFFAOYSA-N 1 0 302.830 4.309 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000554078724 341443051 /nfs/dbraw/zinc/44/30/51/341443051.db2.gz YQXOLVWLCHPXHK-SFHVURJKSA-N 1 0 313.832 4.484 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000554975147 341471076 /nfs/dbraw/zinc/47/10/76/341471076.db2.gz DCVATZHTYXVZIA-UHFFFAOYSA-N 1 0 324.268 4.255 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OCc2cccnc2)cc1 ZINC000555420875 341482522 /nfs/dbraw/zinc/48/25/22/341482522.db2.gz PRCAAXMSJMOFOF-TXPKVOOTSA-N 1 0 321.424 4.003 20 30 DIEDRO N#CC(CC[NH2+]C1(C2CC2)CC1)(c1ccccc1)c1ccccc1 ZINC000555976117 341492063 /nfs/dbraw/zinc/49/20/63/341492063.db2.gz RJWWJGWOWWLUSU-UHFFFAOYSA-N 1 0 316.448 4.419 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000556253314 341499350 /nfs/dbraw/zinc/49/93/50/341499350.db2.gz GNVHHMQKHBUBCQ-LSDHHAIUSA-N 1 0 319.518 4.244 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCCc3cc(C#N)ccc31)CO2 ZINC000564809711 341510280 /nfs/dbraw/zinc/51/02/80/341510280.db2.gz PGNNFUWHLJPIHW-VQTJNVASSA-N 1 0 318.420 4.358 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000153012421 341518444 /nfs/dbraw/zinc/51/84/44/341518444.db2.gz XDUAIVJYRDFJSA-VQTJNVASSA-N 1 0 316.464 4.092 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CC(C)C)c2cccs2)CC1 ZINC000153011599 341518450 /nfs/dbraw/zinc/51/84/50/341518450.db2.gz DFAXQKHKTFADJM-QGZVFWFLSA-N 1 0 306.519 4.465 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000565797952 341538471 /nfs/dbraw/zinc/53/84/71/341538471.db2.gz GOQDESFMSWCDHD-WNYOCNMUSA-N 1 0 310.441 4.116 20 30 DIEDRO CC(C)C[C@@H](CNc1cnccc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000565865347 341540658 /nfs/dbraw/zinc/54/06/58/341540658.db2.gz LWTMCGAMNZPDFK-APWZRJJASA-N 1 0 322.456 4.131 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000567169743 341584010 /nfs/dbraw/zinc/58/40/10/341584010.db2.gz IVRTXZGRXUWVED-PZJWPPBQSA-N 1 0 317.436 4.046 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271505856 341623050 /nfs/dbraw/zinc/62/30/50/341623050.db2.gz RLMIGIFZRWUWRD-CVEARBPZSA-N 1 0 324.424 4.318 20 30 DIEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000568396276 341669992 /nfs/dbraw/zinc/66/99/92/341669992.db2.gz CCJZMFPNCLROPO-SFHVURJKSA-N 1 0 323.396 4.343 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000568891104 341684555 /nfs/dbraw/zinc/68/45/55/341684555.db2.gz DKMRDOCKEZCAPV-IWEFOYFVSA-N 1 0 312.363 4.433 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000573241168 341722037 /nfs/dbraw/zinc/72/20/37/341722037.db2.gz SBHUKHHUWPWGQH-NHCUHLMSSA-N 1 0 323.436 4.261 20 30 DIEDRO COc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000174069266 341823615 /nfs/dbraw/zinc/82/36/15/341823615.db2.gz UJKPGIXCLKTNNT-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000174570357 341828779 /nfs/dbraw/zinc/82/87/79/341828779.db2.gz ILLBNGHLZGPWHK-SSKCKEOISA-N 1 0 300.789 4.292 20 30 DIEDRO Cc1c(Br)cccc1C[NH2+]CC(C)(C)CCC#N ZINC000576480695 341848749 /nfs/dbraw/zinc/84/87/49/341848749.db2.gz ZJMNNTMKLCKEQB-UHFFFAOYSA-N 1 0 309.251 4.177 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H](C)[C@@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000576577321 341852999 /nfs/dbraw/zinc/85/29/99/341852999.db2.gz URYAYTDQWMXRJW-JMSVASOKSA-N 1 0 301.352 4.072 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000175978371 341854807 /nfs/dbraw/zinc/85/48/07/341854807.db2.gz XCYQOOYWLDULBM-APPDUMDISA-N 1 0 300.402 4.172 20 30 DIEDRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000576813169 341864265 /nfs/dbraw/zinc/86/42/65/341864265.db2.gz MRKBSTGWMCLXAD-QRWLVFNGSA-N 1 0 322.456 4.454 20 30 DIEDRO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(CCC#N)CC1 ZINC000577175447 341894453 /nfs/dbraw/zinc/89/44/53/341894453.db2.gz ZSIQSFSXXRXTIA-UHFFFAOYSA-N 1 0 309.413 4.166 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)s1 ZINC000176947807 341905942 /nfs/dbraw/zinc/90/59/42/341905942.db2.gz WARBRRJSEZKGLX-UHFFFAOYSA-N 1 0 314.307 4.067 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000577372655 341906457 /nfs/dbraw/zinc/90/64/57/341906457.db2.gz JVNWZDNROGMBOR-KRWDZBQOSA-N 1 0 312.413 4.218 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CC2)s1 ZINC000176961666 341907157 /nfs/dbraw/zinc/90/71/57/341907157.db2.gz JQEWIXUMHBFZKW-UHFFFAOYSA-N 1 0 302.830 4.095 20 30 DIEDRO Cc1ccc(-n2cc(C[NH2+]CCCCC#N)c(C(C)(C)C)n2)cc1 ZINC000177095588 341913172 /nfs/dbraw/zinc/91/31/72/341913172.db2.gz DSFXKTAESVUXAQ-UHFFFAOYSA-N 1 0 324.472 4.262 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccco1 ZINC000577564706 341918201 /nfs/dbraw/zinc/91/82/01/341918201.db2.gz SJTHCBDRIRRPCY-QAPCUYQASA-N 1 0 317.454 4.426 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000177682070 341923541 /nfs/dbraw/zinc/92/35/41/341923541.db2.gz SACCIFGTKGYODW-KRWDZBQOSA-N 1 0 300.427 4.115 20 30 DIEDRO CC[NH+](CC)CC1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000577768904 341935929 /nfs/dbraw/zinc/93/59/29/341935929.db2.gz WCRSXXFSAFASDS-UHFFFAOYSA-N 1 0 321.415 4.054 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccccc1 ZINC000178759523 341964074 /nfs/dbraw/zinc/96/40/74/341964074.db2.gz FIDBTPRYPTYVLG-IBGZPJMESA-N 1 0 305.425 4.440 20 30 DIEDRO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000265566137 519866238 /nfs/dbraw/zinc/86/62/38/519866238.db2.gz WFCZVWQMZIENJA-WMLDXEAASA-N 1 0 324.428 4.005 20 30 DIEDRO CC1=C(c2ccco2)C[N@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000338370390 520848129 /nfs/dbraw/zinc/84/81/29/520848129.db2.gz OJERTIVHJFWHNU-UHFFFAOYSA-N 1 0 317.392 4.083 20 30 DIEDRO C[C@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1ccc(C#N)cc1 ZINC000336964427 525343619 /nfs/dbraw/zinc/34/36/19/525343619.db2.gz HVKAPCAKQJOOIY-AWEZNQCLSA-N 1 0 321.399 4.462 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1cccc(C#N)c1 ZINC000181525119 525447493 /nfs/dbraw/zinc/44/74/93/525447493.db2.gz AXANTWQWNXODCV-HNNXBMFYSA-N 1 0 321.424 4.125 20 30 DIEDRO C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(C#N)cc1F ZINC000337216064 525476310 /nfs/dbraw/zinc/47/63/10/525476310.db2.gz YXZGBHWHDJGNPQ-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1 ZINC000182072238 525596072 /nfs/dbraw/zinc/59/60/72/525596072.db2.gz ODGGWVZWTXHPOP-DJPFJPOOSA-N 1 0 320.436 4.377 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000181622946 525597388 /nfs/dbraw/zinc/59/73/88/525597388.db2.gz CANBHLLSEJAUIS-RYGJVYDSSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000181622874 525598169 /nfs/dbraw/zinc/59/81/69/525598169.db2.gz WDAZUMWUAROFIM-RYGJVYDSSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000158189621 525648572 /nfs/dbraw/zinc/64/85/72/525648572.db2.gz UXDJNHNZXMCNJZ-DJKXOVBDSA-N 1 0 324.399 4.268 20 30 DIEDRO N#Cc1csc(CNc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000156493429 526783454 /nfs/dbraw/zinc/78/34/54/526783454.db2.gz PGRLJVGTJRERBP-UHFFFAOYSA-N 1 0 311.454 4.218 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856782010 1049106411 /nfs/dbraw/zinc/10/64/11/1049106411.db2.gz XGIMVEOBOIQVHK-VIFPVBQESA-N 1 0 305.731 4.098 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000034992798 1035521400 /nfs/dbraw/zinc/52/14/00/1035521400.db2.gz MAEZLVQOTIOING-ZDUSSCGKSA-N 1 0 300.789 4.093 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000034992573 1035522264 /nfs/dbraw/zinc/52/22/64/1035522264.db2.gz IRCDPIKUPWKFBK-ZDUSSCGKSA-N 1 0 300.789 4.093 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001167062668 1035682738 /nfs/dbraw/zinc/68/27/38/1035682738.db2.gz MHYCDFSJMSDODH-CZUORRHYSA-N 1 0 314.256 4.457 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001167062655 1035682974 /nfs/dbraw/zinc/68/29/74/1035682974.db2.gz MHYCDFSJMSDODH-BBRMVZONSA-N 1 0 314.256 4.457 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1c1ccccc1 ZINC000610216062 1035749184 /nfs/dbraw/zinc/74/91/84/1035749184.db2.gz HSNPSYBRRSJMBE-DNVCBOLYSA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@H]1c1ccccc1 ZINC000610216085 1035752946 /nfs/dbraw/zinc/75/29/46/1035752946.db2.gz KAJPEXYJHBIFBX-YLJYHZDGSA-N 1 0 320.436 4.063 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000535841812 1035860437 /nfs/dbraw/zinc/86/04/37/1035860437.db2.gz OAAFGOQJCSMEHW-UHFFFAOYSA-N 1 0 306.409 4.123 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000154325089 1035866382 /nfs/dbraw/zinc/86/63/82/1035866382.db2.gz DANKJSVJBPNVJJ-RDTXWAMCSA-N 1 0 322.408 4.131 20 30 DIEDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000154323439 1035867471 /nfs/dbraw/zinc/86/74/71/1035867471.db2.gz FWHZVKRDGYJTIK-HOTGVXAUSA-N 1 0 307.441 4.426 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000154324862 1035867542 /nfs/dbraw/zinc/86/75/42/1035867542.db2.gz DANKJSVJBPNVJJ-KBXCAEBGSA-N 1 0 322.408 4.131 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000154331755 1035868269 /nfs/dbraw/zinc/86/82/69/1035868269.db2.gz KGQCSJDLHCISPB-KGLIPLIRSA-N 1 0 309.369 4.187 20 30 DIEDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000154323326 1035868709 /nfs/dbraw/zinc/86/87/09/1035868709.db2.gz FWHZVKRDGYJTIK-JKSUJKDBSA-N 1 0 307.441 4.426 20 30 DIEDRO Cc1ccccc1[C@@H]1CCCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167083863 1035880398 /nfs/dbraw/zinc/88/03/98/1035880398.db2.gz JLVKRALDBSBYCL-SFHVURJKSA-N 1 0 321.380 4.112 20 30 DIEDRO CCC(=O)C(C)(C)CN(CCC#N)Cc1ccc(Cl)cc1 ZINC001208921220 1035941475 /nfs/dbraw/zinc/94/14/75/1035941475.db2.gz XUXZSVUDBPARKV-UHFFFAOYSA-N 1 0 306.837 4.061 20 30 DIEDRO C=CCCCC[N@@H+](C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209207901 1036061430 /nfs/dbraw/zinc/06/14/30/1036061430.db2.gz HNOYZCMCZSAEQJ-INIZCTEOSA-N 1 0 310.482 4.063 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(-n2ccnc2)cc1 ZINC000336875346 1036072717 /nfs/dbraw/zinc/07/27/17/1036072717.db2.gz FNYKVJAFMIMMQB-JKSUJKDBSA-N 1 0 316.408 4.156 20 30 DIEDRO C=CC[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1F ZINC001167138502 1036175577 /nfs/dbraw/zinc/17/55/77/1036175577.db2.gz MVEOVMLRUCPORC-UHFFFAOYSA-N 1 0 324.399 4.154 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001209436123 1036178295 /nfs/dbraw/zinc/17/82/95/1036178295.db2.gz NTZJAKOXBPXBPB-UHFFFAOYSA-N 1 0 324.509 4.454 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001209438789 1036178404 /nfs/dbraw/zinc/17/84/04/1036178404.db2.gz VPGGCMVBTHCCIK-OAHLLOKOSA-N 1 0 307.400 4.292 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC2(CCOC[C@@H]2COC)CC1 ZINC001209439671 1036181135 /nfs/dbraw/zinc/18/11/35/1036181135.db2.gz VKRNHWODSBUJDV-IBGZPJMESA-N 1 0 323.521 4.278 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209439722 1036181316 /nfs/dbraw/zinc/18/13/16/1036181316.db2.gz WVBDVWATQWYZKU-PMACEKPBSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC2(CCOC[C@H]2COC)CC1 ZINC001209439672 1036182451 /nfs/dbraw/zinc/18/24/51/1036182451.db2.gz VKRNHWODSBUJDV-LJQANCHMSA-N 1 0 323.521 4.278 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCc2onc(COCC)c2C1 ZINC001209439761 1036185451 /nfs/dbraw/zinc/18/54/51/1036185451.db2.gz YFLDLDZFPUDOHO-UHFFFAOYSA-N 1 0 306.450 4.096 20 30 DIEDRO C=CCCCCCCCC[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001209444252 1036191669 /nfs/dbraw/zinc/19/16/69/1036191669.db2.gz OEWLOWPHHWVZQQ-UHFFFAOYSA-N 1 0 319.493 4.152 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001209446414 1036194331 /nfs/dbraw/zinc/19/43/31/1036194331.db2.gz YEZLGSGHBDWBSN-UHFFFAOYSA-N 1 0 322.537 4.482 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001167261827 1036341459 /nfs/dbraw/zinc/34/14/59/1036341459.db2.gz MDSWVVRIJGLJHP-ZDUSSCGKSA-N 1 0 323.358 4.200 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)C[C@H]1CC2(CO1)CCCCC2 ZINC001167273908 1036357309 /nfs/dbraw/zinc/35/73/09/1036357309.db2.gz UEHMGCKICJFULL-HXUWFJFHSA-N 1 0 313.485 4.457 20 30 DIEDRO CCC[C@@H](C)CCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001167286412 1036433972 /nfs/dbraw/zinc/43/39/72/1036433972.db2.gz HUJLCLWXXWETKA-MRXNPFEDSA-N 1 0 317.452 4.036 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cc2ccccc2o1 ZINC000608841350 1036454319 /nfs/dbraw/zinc/45/43/19/1036454319.db2.gz HPWJPMLDADVMQH-UHFFFAOYSA-N 1 0 322.433 4.327 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000176972554 1036524519 /nfs/dbraw/zinc/52/45/19/1036524519.db2.gz SCOUJMDQWKZUBS-BDJLRTHQSA-N 1 0 320.845 4.139 20 30 DIEDRO CCCC[N@@H+]1Cc2cccc(N[C@@H](C#N)Cc3ccccc3)c2C1 ZINC000608980670 1036549696 /nfs/dbraw/zinc/54/96/96/1036549696.db2.gz FIWSPMPEZOFFMV-LJQANCHMSA-N 1 0 319.452 4.349 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)cc1 ZINC000177582650 1036568693 /nfs/dbraw/zinc/56/86/93/1036568693.db2.gz MBOOEYSTJXJWMD-ZACQAIPSSA-N 1 0 308.425 4.259 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)CCC)cc2)C1 ZINC001648817110 1036579609 /nfs/dbraw/zinc/57/96/09/1036579609.db2.gz VHMBAZCXFSXAJT-CRAIPNDOSA-N 1 0 300.446 4.260 20 30 DIEDRO CCCC[N@H+](CCOC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001167330064 1036768620 /nfs/dbraw/zinc/76/86/20/1036768620.db2.gz SJWRCNDGEMSULF-UHFFFAOYSA-N 1 0 322.452 4.474 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000610340568 1036829069 /nfs/dbraw/zinc/82/90/69/1036829069.db2.gz WIQVWZCHITXHAW-CYBMUJFWSA-N 1 0 318.342 4.470 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000610345105 1036838048 /nfs/dbraw/zinc/83/80/48/1036838048.db2.gz RVPFQZQHBVYFFD-LBPRGKRZSA-N 1 0 320.314 4.308 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OCC ZINC000610344899 1036838639 /nfs/dbraw/zinc/83/86/39/1036838639.db2.gz LFNXDPGKRLNJDZ-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(OC(F)F)cc1 ZINC000177682901 1036849902 /nfs/dbraw/zinc/84/99/02/1036849902.db2.gz KYLSUKDHSWJLLE-SNVBAGLBSA-N 1 0 308.353 4.072 20 30 DIEDRO CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001167356730 1036964965 /nfs/dbraw/zinc/96/49/65/1036964965.db2.gz OPQGTYNIETZCCC-HXUWFJFHSA-N 1 0 322.452 4.140 20 30 DIEDRO CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC001167356729 1036965188 /nfs/dbraw/zinc/96/51/88/1036965188.db2.gz OPQGTYNIETZCCC-FQEVSTJZSA-N 1 0 322.452 4.140 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)cc1 ZINC001167386642 1037093796 /nfs/dbraw/zinc/09/37/96/1037093796.db2.gz IRYQSYRVPUETQK-OAQYLSRUSA-N 1 0 304.437 4.382 20 30 DIEDRO C[N@H+](Cc1ccccc1NC[C@H](C#N)CCC#N)C1CCCCC1 ZINC000580435866 1037132805 /nfs/dbraw/zinc/13/28/05/1037132805.db2.gz MZKFZYDXNPNCPB-KRWDZBQOSA-N 1 0 324.472 4.307 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000579651929 1037147356 /nfs/dbraw/zinc/14/73/56/1037147356.db2.gz KKLXPLYEDJQOMN-KZULUSFZSA-N 1 0 310.372 4.044 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1SCCc3ccccc31)CC2 ZINC000579652355 1037148698 /nfs/dbraw/zinc/14/86/98/1037148698.db2.gz ZICQGRZYVABCNK-VQTJNVASSA-N 1 0 320.461 4.166 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)CC2)c1 ZINC000275908790 1037189361 /nfs/dbraw/zinc/18/93/61/1037189361.db2.gz UCUZYHRUAGZEDJ-GJZGRUSLSA-N 1 0 308.347 4.258 20 30 DIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000728302545 1037231406 /nfs/dbraw/zinc/23/14/06/1037231406.db2.gz UIRSBWFHCSINQM-QUCCMNQESA-N 1 0 313.489 4.485 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1 ZINC000580706325 1037259979 /nfs/dbraw/zinc/25/99/79/1037259979.db2.gz VJNGCLNFKXRWOQ-ABAIWWIYSA-N 1 0 302.245 4.219 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C/C=C\c2ccccc2)c1 ZINC000255756118 1037293885 /nfs/dbraw/zinc/29/38/85/1037293885.db2.gz PZLLJEHAENTGJT-XFFZJAGNSA-N 1 0 306.409 4.172 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000580824164 1037318410 /nfs/dbraw/zinc/31/84/10/1037318410.db2.gz SHBOPAFVEHXRKI-QLFBSQMISA-N 1 0 301.409 4.263 20 30 DIEDRO C=CCCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000684113888 1037367521 /nfs/dbraw/zinc/36/75/21/1037367521.db2.gz JUFBEURDOYHMHT-CVEARBPZSA-N 1 0 324.262 4.225 20 30 DIEDRO C[NH+](C)[C@H](CNc1cccc(C(F)F)c1C#N)c1ccccc1 ZINC000580982096 1037397077 /nfs/dbraw/zinc/39/70/77/1037397077.db2.gz ICRGSKHAXPMBEW-QGZVFWFLSA-N 1 0 315.367 4.211 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)n1cc(C[NH2+]C2CCCCC2)nn1 ZINC000656458144 1037511118 /nfs/dbraw/zinc/51/11/18/1037511118.db2.gz YIYGQDVXUKMMFR-FQEVSTJZSA-N 1 0 324.472 4.060 20 30 DIEDRO C=CCOCCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000684204451 1037549761 /nfs/dbraw/zinc/54/97/61/1037549761.db2.gz BLWBZJFUPFGZMN-UHFFFAOYSA-N 1 0 317.379 4.237 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC001167464357 1037653567 /nfs/dbraw/zinc/65/35/67/1037653567.db2.gz JYZAJEZTIJXWAC-LPHOPBHVSA-N 1 0 320.436 4.253 20 30 DIEDRO COc1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC001167464375 1037657602 /nfs/dbraw/zinc/65/76/02/1037657602.db2.gz KUPBRWNRUIGPQB-UXHICEINSA-N 1 0 320.436 4.275 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001167465181 1037673173 /nfs/dbraw/zinc/67/31/73/1037673173.db2.gz VUMXUPKRRWDXFW-PKOBYXMFSA-N 1 0 307.412 4.364 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)s1 ZINC000610511935 1037767859 /nfs/dbraw/zinc/76/78/59/1037767859.db2.gz UYJVXSJQKCFHCE-UHFFFAOYSA-N 1 0 315.829 4.087 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000285462492 1037952646 /nfs/dbraw/zinc/95/26/46/1037952646.db2.gz APSGZSHNIFZHOL-MJGOQNOKSA-N 1 0 312.457 4.170 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)nc1 ZINC000602439227 1038005227 /nfs/dbraw/zinc/00/52/27/1038005227.db2.gz JIWHKTBGOOFYEY-UHFFFAOYSA-N 1 0 315.367 4.301 20 30 DIEDRO CC[N@H+](Cc1ccc(C(F)F)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000602442961 1038005405 /nfs/dbraw/zinc/00/54/05/1038005405.db2.gz DDOKZBPAGRVYJE-CYBMUJFWSA-N 1 0 315.367 4.474 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000602431873 1038006379 /nfs/dbraw/zinc/00/63/79/1038006379.db2.gz GAZUKNBSTQZSMP-CQSZACIVSA-N 1 0 313.470 4.416 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000602431234 1038007837 /nfs/dbraw/zinc/00/78/37/1038007837.db2.gz CNAFHALRLJOTQP-GJZGRUSLSA-N 1 0 313.470 4.416 20 30 DIEDRO Cc1cccc(C[N@H+](Cc2ccccn2)C[C@H](C)CCC#N)c1 ZINC000602463406 1038012492 /nfs/dbraw/zinc/01/24/92/1038012492.db2.gz UWWLAGZNOGOWBB-GOSISDBHSA-N 1 0 307.441 4.332 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000602456674 1038013423 /nfs/dbraw/zinc/01/34/23/1038013423.db2.gz CEJBLKLONOLORV-RDJZCZTQSA-N 1 0 324.428 4.203 20 30 DIEDRO Cc1cccc(C[N@H+](Cc2ccccn2)C[C@@H](C)CCC#N)c1 ZINC000602463409 1038014337 /nfs/dbraw/zinc/01/43/37/1038014337.db2.gz UWWLAGZNOGOWBB-SFHVURJKSA-N 1 0 307.441 4.332 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000602482826 1038015669 /nfs/dbraw/zinc/01/56/69/1038015669.db2.gz GUYYDWNDLKSNPE-CABCVRRESA-N 1 0 317.502 4.141 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000602517636 1038024285 /nfs/dbraw/zinc/02/42/85/1038024285.db2.gz ICEMHRMJOFCKEM-IAGOWNOFSA-N 1 0 323.440 4.251 20 30 DIEDRO CC(C)Oc1ccc(CC[C@H](C)[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602517829 1038024390 /nfs/dbraw/zinc/02/43/90/1038024390.db2.gz JGOYRERDMAFQTM-SJORKVTESA-N 1 0 302.462 4.324 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000602515204 1038026285 /nfs/dbraw/zinc/02/62/85/1038026285.db2.gz ONGIDMWGOAVHPK-GFCCVEGCSA-N 1 0 309.251 4.214 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1 ZINC000602509200 1038030487 /nfs/dbraw/zinc/03/04/87/1038030487.db2.gz PGPRRFNZWYQYOJ-UHFFFAOYSA-N 1 0 307.397 4.046 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602511433 1038030861 /nfs/dbraw/zinc/03/08/61/1038030861.db2.gz RNNSELNNNGQHKW-HKUYNNGSSA-N 1 0 314.473 4.115 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)ccc1OCC(C)C ZINC000602510838 1038030951 /nfs/dbraw/zinc/03/09/51/1038030951.db2.gz PIFOMBXOPFSKFJ-JKSUJKDBSA-N 1 0 318.461 4.320 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000602525020 1038033652 /nfs/dbraw/zinc/03/36/52/1038033652.db2.gz PWHHHWIMHZIFRR-INIZCTEOSA-N 1 0 314.473 4.173 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)n1 ZINC000602545998 1038034143 /nfs/dbraw/zinc/03/41/43/1038034143.db2.gz AIEXBHYSWTZTPG-HNNXBMFYSA-N 1 0 318.207 4.037 20 30 DIEDRO COc1ccccc1[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602546701 1038034750 /nfs/dbraw/zinc/03/47/50/1038034750.db2.gz FDBFVZSBQBUJMJ-OXJNMPFZSA-N 1 0 308.425 4.314 20 30 DIEDRO COc1ccccc1[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602549349 1038035169 /nfs/dbraw/zinc/03/51/69/1038035169.db2.gz ULYCDNLFYNJHTF-QYGXFBIXSA-N 1 0 320.436 4.457 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc2ccccc2c1 ZINC000602527239 1038035330 /nfs/dbraw/zinc/03/53/30/1038035330.db2.gz IWALQHGXDAGXRQ-KRWDZBQOSA-N 1 0 322.452 4.071 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602558961 1038036384 /nfs/dbraw/zinc/03/63/84/1038036384.db2.gz QYEZBPBYGOBJPQ-YSNUMNBNSA-N 1 0 312.457 4.135 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602558959 1038036497 /nfs/dbraw/zinc/03/64/97/1038036497.db2.gz QYEZBPBYGOBJPQ-RDVQEIBISA-N 1 0 312.457 4.135 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+]C3CCC(C#N)CC3)c(C)c2c1 ZINC000602537187 1038037530 /nfs/dbraw/zinc/03/75/30/1038037530.db2.gz AKOFBXWUVWUETQ-NFOMZHRRSA-N 1 0 312.413 4.483 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000602556846 1038038642 /nfs/dbraw/zinc/03/86/42/1038038642.db2.gz WEIJHMKGZKAELM-APWZRJJASA-N 1 0 300.446 4.000 20 30 DIEDRO N#CC1CCC([NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000602562587 1038040851 /nfs/dbraw/zinc/04/08/51/1038040851.db2.gz XEWQEXOLTZRWEG-SRHKJQAYSA-N 1 0 311.212 4.099 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000602567644 1038041222 /nfs/dbraw/zinc/04/12/22/1038041222.db2.gz IZSNGMYPYUYTPW-KDOFPFPSSA-N 1 0 313.832 4.354 20 30 DIEDRO C[C@H]([NH2+]CCC[C@@H]1CCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602600125 1038045357 /nfs/dbraw/zinc/04/53/57/1038045357.db2.gz MEYVVXYCPKVYEZ-HRAATJIYSA-N 1 0 320.436 4.445 20 30 DIEDRO CC1(C)CC[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)n3)c3cccc1c32 ZINC000602581398 1038046002 /nfs/dbraw/zinc/04/60/02/1038046002.db2.gz JOEPTWBWUBUHSY-IFXJQAMLSA-N 1 0 317.436 4.343 20 30 DIEDRO N#CC1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000602577472 1038047902 /nfs/dbraw/zinc/04/79/02/1038047902.db2.gz UWXMUUBSJKXGJS-WDIPEOLASA-N 1 0 314.326 4.491 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000602641084 1038052586 /nfs/dbraw/zinc/05/25/86/1038052586.db2.gz QBXHMDKOIRBLJI-CQSZACIVSA-N 1 0 313.376 4.042 20 30 DIEDRO Cc1ccc([C@@H]([NH2+]C2CCC(C#N)CC2)c2ccccn2)cc1 ZINC000602648160 1038055549 /nfs/dbraw/zinc/05/55/49/1038055549.db2.gz MEEWBISTUUWTBZ-OUNSHVDWSA-N 1 0 305.425 4.151 20 30 DIEDRO CCC[N@H+](C[C@@H](C)CCC#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000602654433 1038061742 /nfs/dbraw/zinc/06/17/42/1038061742.db2.gz UOXHFQQVKANESL-DLBZAZTESA-N 1 0 315.461 4.056 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000602663569 1038063672 /nfs/dbraw/zinc/06/36/72/1038063672.db2.gz CYJGFMDCUOYJIR-UHFFFAOYSA-N 1 0 318.289 4.156 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc2sccc2c1 ZINC000602669261 1038063756 /nfs/dbraw/zinc/06/37/56/1038063756.db2.gz HVKCOEPFVTZIDJ-CQSZACIVSA-N 1 0 314.454 4.090 20 30 DIEDRO COc1ccc([C@@H]([NH2+]C2CCC(C#N)CC2)c2ccco2)cc1 ZINC000602687000 1038067783 /nfs/dbraw/zinc/06/77/83/1038067783.db2.gz UDDNRPPCATXQKG-GSQSYGFSSA-N 1 0 310.397 4.050 20 30 DIEDRO CCCC[N@H+](C[C@H](C)CCC#N)[C@H]1CCc2ncsc2C1 ZINC000602701116 1038071981 /nfs/dbraw/zinc/07/19/81/1038071981.db2.gz ASESAWSCYIDTPK-CABCVRRESA-N 1 0 305.491 4.042 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc2ccsc21 ZINC000602699943 1038073021 /nfs/dbraw/zinc/07/30/21/1038073021.db2.gz PQZGRWXPSPMGLO-CQSZACIVSA-N 1 0 314.454 4.090 20 30 DIEDRO CC(C)Cc1ccccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602721847 1038073596 /nfs/dbraw/zinc/07/35/96/1038073596.db2.gz XIOQKKQSFGMLKO-QGZVFWFLSA-N 1 0 314.473 4.074 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000602701449 1038074104 /nfs/dbraw/zinc/07/41/04/1038074104.db2.gz SYPWAZLULPCBMC-GXTWGEPZSA-N 1 0 315.848 4.208 20 30 DIEDRO Cc1cc([C@@H]2CC[N@@H+](C[C@@H](C)CCC#N)C2)c(O)cc1Cl ZINC000602714052 1038074840 /nfs/dbraw/zinc/07/48/40/1038074840.db2.gz SJELFNRZHNDBBA-GXTWGEPZSA-N 1 0 306.837 4.083 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000602707215 1038075588 /nfs/dbraw/zinc/07/55/88/1038075588.db2.gz DVLQBGYILPWPGZ-GFCCVEGCSA-N 1 0 312.335 4.104 20 30 DIEDRO C=CCCC1(C[NH2+][C@H](C)CC2(C#N)CCOCC2)CCCC1 ZINC000602710829 1038076958 /nfs/dbraw/zinc/07/69/58/1038076958.db2.gz YLLFLDDIVYXIFL-QGZVFWFLSA-N 1 0 304.478 4.202 20 30 DIEDRO CC[N@H+](Cc1cccc2c1CCOC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000602763473 1038082306 /nfs/dbraw/zinc/08/23/06/1038082306.db2.gz LBJYMGNHIVQHSV-INIZCTEOSA-N 1 0 320.436 4.214 20 30 DIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]CC3(CC#N)CC3)cc2)cs1 ZINC000602802179 1038089212 /nfs/dbraw/zinc/08/92/12/1038089212.db2.gz PFDCTPBAPXMIEQ-ZDUSSCGKSA-N 1 0 311.454 4.463 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC2(CC#N)CC2)CC1 ZINC000602796241 1038089755 /nfs/dbraw/zinc/08/97/55/1038089755.db2.gz WQOSWLCAQFUSSH-UHFFFAOYSA-N 1 0 305.425 4.259 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Oc2cccnc2)cc1 ZINC000602833299 1038094950 /nfs/dbraw/zinc/09/49/50/1038094950.db2.gz NMRWJTWAOBPANW-HNNXBMFYSA-N 1 0 307.397 4.218 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889381 1038104308 /nfs/dbraw/zinc/10/43/08/1038104308.db2.gz VNNXKSZDLMLXMP-QGZVFWFLSA-N 1 0 322.456 4.139 20 30 DIEDRO Cc1ccccc1[C@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911422 1038105778 /nfs/dbraw/zinc/10/57/78/1038105778.db2.gz ZVVTUYNAYODGJS-INIZCTEOSA-N 1 0 305.425 4.202 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602957272 1038116023 /nfs/dbraw/zinc/11/60/23/1038116023.db2.gz SCOKTPCWPCDXAY-CQSZACIVSA-N 1 0 311.454 4.030 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982336 1038117122 /nfs/dbraw/zinc/11/71/22/1038117122.db2.gz QULNDKMZTQFVBD-PKOBYXMFSA-N 1 0 324.472 4.139 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000598602628 1038125001 /nfs/dbraw/zinc/12/50/01/1038125001.db2.gz QBMUZBVPLQFRLY-SJORKVTESA-N 1 0 320.452 4.193 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000598602627 1038125199 /nfs/dbraw/zinc/12/51/99/1038125199.db2.gz QBMUZBVPLQFRLY-IRXDYDNUSA-N 1 0 320.452 4.193 20 30 DIEDRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598602244 1038127174 /nfs/dbraw/zinc/12/71/74/1038127174.db2.gz MGONKEYWVXTJAR-IRXDYDNUSA-N 1 0 302.462 4.054 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598594709 1038130554 /nfs/dbraw/zinc/13/05/54/1038130554.db2.gz IFGMPFFEELHRGL-JJRVBVJISA-N 1 0 322.880 4.065 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(c3ccc(C)nc3)CC2)c1 ZINC000341564129 1038136834 /nfs/dbraw/zinc/13/68/34/1038136834.db2.gz MTQNERYZQICJEJ-UHFFFAOYSA-N 1 0 322.452 4.334 20 30 DIEDRO CC(C)c1[nH+]c(CN[C@H](C)c2cccc(C#N)c2)c2ccccn21 ZINC000593600805 1038158048 /nfs/dbraw/zinc/15/80/48/1038158048.db2.gz GHJIUECJUKEHJO-OAHLLOKOSA-N 1 0 318.424 4.180 20 30 DIEDRO N#Cc1cccc(CN[C@H](CC(F)(F)F)c2ccccc2)c1F ZINC000341596465 1038166518 /nfs/dbraw/zinc/16/65/18/1038166518.db2.gz WXMUXUCGJOOTBP-OAHLLOKOSA-N 1 0 322.305 4.481 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2c(F)cccc2F)C2CC2)cc1 ZINC001168413992 1038180387 /nfs/dbraw/zinc/18/03/87/1038180387.db2.gz NBPJJBQTCLLWHZ-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276787933 1038212072 /nfs/dbraw/zinc/21/20/72/1038212072.db2.gz RZWAXDWAMKNMHW-KGLIPLIRSA-N 1 0 315.417 4.141 20 30 DIEDRO N#CCC1(C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000599044754 1038222930 /nfs/dbraw/zinc/22/29/30/1038222930.db2.gz DLUIZKFZXOXNCD-INIZCTEOSA-N 1 0 313.832 4.482 20 30 DIEDRO CN(C)c1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000610614581 1038223708 /nfs/dbraw/zinc/22/37/08/1038223708.db2.gz UKECJDVRBOVFNA-SFTDATJTSA-N 1 0 319.452 4.024 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)c1ccc(C)cn1)c1ccc(C#N)cc1 ZINC000599067163 1038230305 /nfs/dbraw/zinc/23/03/05/1038230305.db2.gz CIBACQUCYIRBRB-SFHVURJKSA-N 1 0 307.441 4.280 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)nc1 ZINC000599070076 1038233022 /nfs/dbraw/zinc/23/30/22/1038233022.db2.gz KDNLQSUMPUCTDB-LJQANCHMSA-N 1 0 319.452 4.207 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](CCc2ccccc2)C(F)F)CC1 ZINC000599070627 1038233142 /nfs/dbraw/zinc/23/31/42/1038233142.db2.gz MEQWDMDXIMFWFL-UPTPFMHGSA-N 1 0 306.400 4.315 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)C1 ZINC000599090556 1038236616 /nfs/dbraw/zinc/23/66/16/1038236616.db2.gz NCOVFWSLIKNMKX-AAEUAGOBSA-N 1 0 319.811 4.175 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC000599093881 1038239409 /nfs/dbraw/zinc/23/94/09/1038239409.db2.gz AWSSPPDTWJPIHV-OCCSQVGLSA-N 1 0 301.821 4.036 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC000599093879 1038240233 /nfs/dbraw/zinc/24/02/33/1038240233.db2.gz AWSSPPDTWJPIHV-GXTWGEPZSA-N 1 0 301.821 4.036 20 30 DIEDRO C[N@H+](CCSc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000603581453 1038249546 /nfs/dbraw/zinc/24/95/46/1038249546.db2.gz PSYARZXDRHUCBV-UHFFFAOYSA-N 1 0 316.857 4.436 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341763718 1038265104 /nfs/dbraw/zinc/26/51/04/1038265104.db2.gz XXOVKUKAKTYPQG-HXUWFJFHSA-N 1 0 306.409 4.124 20 30 DIEDRO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000276889667 1038267653 /nfs/dbraw/zinc/26/76/53/1038267653.db2.gz BRHQIXXAUSYLIE-NHCUHLMSSA-N 1 0 323.411 4.029 20 30 DIEDRO C[N@H+](CC#Cc1ccccc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276889679 1038267767 /nfs/dbraw/zinc/26/77/67/1038267767.db2.gz BRHQIXXAUSYLIE-SFTDATJTSA-N 1 0 323.411 4.029 20 30 DIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C)c(C#N)c1)CCC2 ZINC000599327819 1038269037 /nfs/dbraw/zinc/26/90/37/1038269037.db2.gz LTZAYEOFPSSLOE-QGZVFWFLSA-N 1 0 311.454 4.141 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341814431 1038276517 /nfs/dbraw/zinc/27/65/17/1038276517.db2.gz PGZPNAUXKTXWIW-UXHICEINSA-N 1 0 318.420 4.221 20 30 DIEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000599436862 1038285485 /nfs/dbraw/zinc/28/54/85/1038285485.db2.gz AVNZLKGWZOVQFB-RTBURBONSA-N 1 0 324.468 4.049 20 30 DIEDRO COc1cccc(C2([NH2+]Cc3ccc(C)c(C#N)c3)CCC2)c1 ZINC000599480515 1038289101 /nfs/dbraw/zinc/28/91/01/1038289101.db2.gz DNBQEJQBUDKFIB-UHFFFAOYSA-N 1 0 306.409 4.044 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341875788 1038305755 /nfs/dbraw/zinc/30/57/55/1038305755.db2.gz KHSYDTWHFBKGIN-HZPDHXFCSA-N 1 0 323.440 4.339 20 30 DIEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599542504 1038311284 /nfs/dbraw/zinc/31/12/84/1038311284.db2.gz UPSRFAVQJCLVGY-IUCAKERBSA-N 1 0 317.177 4.070 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000603889924 1038314311 /nfs/dbraw/zinc/31/43/11/1038314311.db2.gz FNNBPYLTMBOPNW-LJQANCHMSA-N 1 0 315.420 4.419 20 30 DIEDRO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CCCSCC#N ZINC000599623026 1038318767 /nfs/dbraw/zinc/31/87/67/1038318767.db2.gz UBYHLEHKFFWKBB-MRXNPFEDSA-N 1 0 306.450 4.040 20 30 DIEDRO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CCCSCC#N ZINC000599623021 1038319968 /nfs/dbraw/zinc/31/99/68/1038319968.db2.gz UBYHLEHKFFWKBB-INIZCTEOSA-N 1 0 306.450 4.040 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccnc2ccccc12 ZINC000535799713 1038341406 /nfs/dbraw/zinc/34/14/06/1038341406.db2.gz KUAIQKKHKSAEDX-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000604013340 1038343151 /nfs/dbraw/zinc/34/31/51/1038343151.db2.gz BRDNTPZQHBFXMK-FQEVSTJZSA-N 1 0 306.409 4.083 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc2c(s1)CCCC2 ZINC000610812442 1038355820 /nfs/dbraw/zinc/35/58/20/1038355820.db2.gz AQIMZXKVGYRMIF-LBPRGKRZSA-N 1 0 314.429 4.488 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000341941925 1038356247 /nfs/dbraw/zinc/35/62/47/1038356247.db2.gz INOZAVBQIFWXSN-LMMKCTJWSA-N 1 0 314.473 4.073 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1ccccc1C(F)(F)F ZINC000341995691 1038364201 /nfs/dbraw/zinc/36/42/01/1038364201.db2.gz HBAXGBMAGJYLPN-NSHDSACASA-N 1 0 302.365 4.003 20 30 DIEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610830078 1038371824 /nfs/dbraw/zinc/37/18/24/1038371824.db2.gz CKUIRUPIDADAOH-GJZGRUSLSA-N 1 0 323.396 4.138 20 30 DIEDRO Cc1cc(F)ccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535840988 1038391690 /nfs/dbraw/zinc/39/16/90/1038391690.db2.gz RGQCFLUMVUKFIH-UHFFFAOYSA-N 1 0 306.384 4.295 20 30 DIEDRO CC1(C)C[C@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000604282925 1038398279 /nfs/dbraw/zinc/39/82/79/1038398279.db2.gz IRFWUNDTVOZHIQ-LJQANCHMSA-N 1 0 306.409 4.025 20 30 DIEDRO COc1ccccc1C1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC000604417910 1038413431 /nfs/dbraw/zinc/41/34/31/1038413431.db2.gz OBWLUOKPEUVNCS-UHFFFAOYSA-N 1 0 320.436 4.168 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)c1 ZINC000604417130 1038413947 /nfs/dbraw/zinc/41/39/47/1038413947.db2.gz GQNVDAKRYQIZNV-IBGZPJMESA-N 1 0 322.452 4.010 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCOc2cccc(Cl)c2Cl)c1 ZINC000604419089 1038414043 /nfs/dbraw/zinc/41/40/43/1038414043.db2.gz BWMHDQUHBGJXRK-UHFFFAOYSA-N 1 0 321.207 4.034 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000604478679 1038417077 /nfs/dbraw/zinc/41/70/77/1038417077.db2.gz FZVSBKANHTVKNY-UHFFFAOYSA-N 1 0 314.816 4.427 20 30 DIEDRO C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521409 1038418236 /nfs/dbraw/zinc/41/82/36/1038418236.db2.gz IKRMKJICMVCTDP-RTWAWAEBSA-N 1 0 320.436 4.158 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1C#N ZINC000610991581 1038419892 /nfs/dbraw/zinc/41/98/92/1038419892.db2.gz RGZWBVKXSCBEJW-SFHVURJKSA-N 1 0 310.372 4.043 20 30 DIEDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1F ZINC000604492990 1038420479 /nfs/dbraw/zinc/42/04/79/1038420479.db2.gz VRDXYOXJOPQXMR-UHFFFAOYSA-N 1 0 312.388 4.118 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000604492754 1038420601 /nfs/dbraw/zinc/42/06/01/1038420601.db2.gz RFKRJIYSISVLKC-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610992126 1038422283 /nfs/dbraw/zinc/42/22/83/1038422283.db2.gz BTUQZOHHFRPAIR-UXHICEINSA-N 1 0 305.425 4.111 20 30 DIEDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610993533 1038423329 /nfs/dbraw/zinc/42/33/29/1038423329.db2.gz WLHNYZVPYIGTAD-UZLBHIALSA-N 1 0 305.425 4.235 20 30 DIEDRO CC(C)([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000610993363 1038424470 /nfs/dbraw/zinc/42/44/70/1038424470.db2.gz LRTONJQYPFONKO-UHFFFAOYSA-N 1 0 320.223 4.285 20 30 DIEDRO Fc1ccc(C[NH2+]CCSC(F)(F)F)cc1C(F)(F)F ZINC000229804781 1038425935 /nfs/dbraw/zinc/42/59/35/1038425935.db2.gz CPKOFMCGPKIBHH-UHFFFAOYSA-N 1 0 321.261 4.187 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000187702346 1038457218 /nfs/dbraw/zinc/45/72/18/1038457218.db2.gz XMZJCXKIAFTHLC-XLIONFOSSA-N 1 0 320.436 4.158 20 30 DIEDRO COc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)c(C)c1OC ZINC000342166241 1038460826 /nfs/dbraw/zinc/46/08/26/1038460826.db2.gz OCXZVMYSWVLFCT-GOSISDBHSA-N 1 0 324.424 4.147 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000604892812 1038462759 /nfs/dbraw/zinc/46/27/59/1038462759.db2.gz BMMLAXRWXISRSY-GFCCVEGCSA-N 1 0 303.837 4.197 20 30 DIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000538395937 1038468733 /nfs/dbraw/zinc/46/87/33/1038468733.db2.gz TYLJMIQSVRDAAC-DLBZAZTESA-N 1 0 313.489 4.109 20 30 DIEDRO C=CCCC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000605149711 1038493437 /nfs/dbraw/zinc/49/34/37/1038493437.db2.gz XJMSRRIZKFKRBZ-UHFFFAOYSA-N 1 0 311.372 4.227 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC001167505822 1038495503 /nfs/dbraw/zinc/49/55/03/1038495503.db2.gz WCJJNRQJDWDDMB-IFXJQAMLSA-N 1 0 324.399 4.289 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC001167505825 1038495566 /nfs/dbraw/zinc/49/55/66/1038495566.db2.gz WCJJNRQJDWDDMB-KUHUBIRLSA-N 1 0 324.399 4.289 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC001167516944 1038542238 /nfs/dbraw/zinc/54/22/38/1038542238.db2.gz LDLKFKUNLCTMEE-FQEVSTJZSA-N 1 0 322.452 4.280 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC000539224298 1038542578 /nfs/dbraw/zinc/54/25/78/1038542578.db2.gz BHIIPKXTAHOHTA-INIZCTEOSA-N 1 0 324.424 4.075 20 30 DIEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000071968578 1038549118 /nfs/dbraw/zinc/54/91/18/1038549118.db2.gz PBCNSSRYFYOMIK-UHFFFAOYSA-N 1 0 314.816 4.113 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)ccc1C#N ZINC000234938145 1038576763 /nfs/dbraw/zinc/57/67/63/1038576763.db2.gz JAFNUKYVORXBGI-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1Cl ZINC000926370327 1038577164 /nfs/dbraw/zinc/57/71/64/1038577164.db2.gz OUBAZZVPBXSKRS-SFHVURJKSA-N 1 0 311.816 4.238 20 30 DIEDRO COc1cc(C[N@H+](Cc2cccs2)C(C)C)ccc1C#N ZINC000234944666 1038586664 /nfs/dbraw/zinc/58/66/64/1038586664.db2.gz CPLZXPRQGNDUGK-UHFFFAOYSA-N 1 0 300.427 4.039 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2cccs2)nc1 ZINC000593977757 1038600201 /nfs/dbraw/zinc/60/02/01/1038600201.db2.gz VCXBCLSAWLNXBU-QZEKMECESA-N 1 0 323.465 4.473 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)nc1 ZINC000593976723 1038600507 /nfs/dbraw/zinc/60/05/07/1038600507.db2.gz YJROPERSXLDGJC-NJYVYQBISA-N 1 0 317.436 4.111 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2/C=C\c2cccs2)nc1 ZINC000593977756 1038600563 /nfs/dbraw/zinc/60/05/63/1038600563.db2.gz VCXBCLSAWLNXBU-LPADLIQXSA-N 1 0 323.465 4.473 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC001167558525 1038620670 /nfs/dbraw/zinc/62/06/70/1038620670.db2.gz OGYIBYPVZSOQDI-QZTJIDSGSA-N 1 0 300.471 4.035 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC001167558524 1038620695 /nfs/dbraw/zinc/62/06/95/1038620695.db2.gz OGYIBYPVZSOQDI-MSOLQXFVSA-N 1 0 300.471 4.035 20 30 DIEDRO CC(C)(C)OCCCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033564 1038627358 /nfs/dbraw/zinc/62/73/58/1038627358.db2.gz SXHRZQSKJFBNSP-UHFFFAOYSA-N 1 0 300.446 4.122 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000611587345 1038635608 /nfs/dbraw/zinc/63/56/08/1038635608.db2.gz BSIUEZINYMHVOS-GDBMZVCRSA-N 1 0 308.400 4.153 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000606902298 1038637946 /nfs/dbraw/zinc/63/79/46/1038637946.db2.gz ZYKIVNCMSPEZBF-OAHLLOKOSA-N 1 0 322.880 4.195 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2c(C)cccc2CC)CCCCC1 ZINC000625937295 1038658853 /nfs/dbraw/zinc/65/88/53/1038658853.db2.gz TYERKVSCFGLFQL-UHFFFAOYSA-N 1 0 314.473 4.365 20 30 DIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc(C#N)c1)CCC2 ZINC000152574515 1038677086 /nfs/dbraw/zinc/67/70/86/1038677086.db2.gz XEYBHYIKYBIMLM-MRXNPFEDSA-N 1 0 311.454 4.087 20 30 DIEDRO C=CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000063300115 1038695424 /nfs/dbraw/zinc/69/54/24/1038695424.db2.gz BXBXLGCTEBXKHW-FXAWDEMLSA-N 1 0 312.457 4.142 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000479351730 1038704205 /nfs/dbraw/zinc/70/42/05/1038704205.db2.gz PQBJTFIYFONZQD-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000479447011 1038708624 /nfs/dbraw/zinc/70/86/24/1038708624.db2.gz BOMPEAXPBYYQLR-XFQAVAEZSA-N 1 0 320.436 4.301 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000557395394 1038726201 /nfs/dbraw/zinc/72/62/01/1038726201.db2.gz WTKKLZQCJHOFKX-NHCUHLMSSA-N 1 0 323.484 4.085 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2nccs2)cc1 ZINC000127997948 1038731589 /nfs/dbraw/zinc/73/15/89/1038731589.db2.gz UAAJJAPUUOMKFP-ZDUSSCGKSA-N 1 0 322.861 4.168 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000557395395 1038759353 /nfs/dbraw/zinc/75/93/53/1038759353.db2.gz WTKKLZQCJHOFKX-RTWAWAEBSA-N 1 0 323.484 4.085 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000657531411 1038765523 /nfs/dbraw/zinc/76/55/23/1038765523.db2.gz YPNPZJALLMCVRR-BMFZPTHFSA-N 1 0 306.475 4.219 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Br)s1 ZINC000657529633 1038767183 /nfs/dbraw/zinc/76/71/83/1038767183.db2.gz FYMJCWNNYVKJMQ-QWRGUYRKSA-N 1 0 315.280 4.130 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](CCCc2ccc(Br)cc2)CC1 ZINC001207321826 1038771537 /nfs/dbraw/zinc/77/15/37/1038771537.db2.gz ATOKBPFZKLFQIX-OAHLLOKOSA-N 1 0 321.262 4.007 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1OC ZINC000342782225 1038774264 /nfs/dbraw/zinc/77/42/64/1038774264.db2.gz OJOCDTDZNYWNMA-SFHVURJKSA-N 1 0 306.409 4.297 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000342800954 1038805179 /nfs/dbraw/zinc/80/51/79/1038805179.db2.gz VQLZJMMOAWGIFY-UHFFFAOYSA-N 1 0 322.456 4.058 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)cc1 ZINC000237509264 1038912940 /nfs/dbraw/zinc/91/29/40/1038912940.db2.gz VZZUZBORWRZKBD-OAHLLOKOSA-N 1 0 305.377 4.296 20 30 DIEDRO C#CCCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000174274342 1038922222 /nfs/dbraw/zinc/92/22/22/1038922222.db2.gz GBBBWXXAHVLMPX-HXUWFJFHSA-N 1 0 316.404 4.095 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(Cl)sc2Cl)CCOCC1 ZINC000657635119 1038929757 /nfs/dbraw/zinc/92/97/57/1038929757.db2.gz WBTQVIIYSDZPSW-UHFFFAOYSA-N 1 0 306.258 4.270 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OCCCC)cc2)CCOCC1 ZINC000657633214 1038930005 /nfs/dbraw/zinc/93/00/05/1038930005.db2.gz RVQWNBBLIFSVEU-UHFFFAOYSA-N 1 0 303.446 4.080 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc(OC3CCCC3)c2)CCOCC1 ZINC000657633854 1038930688 /nfs/dbraw/zinc/93/06/88/1038930688.db2.gz ZWRKEJVFLHJEAM-UHFFFAOYSA-N 1 0 315.457 4.223 20 30 DIEDRO C=CCC1([NH2+]Cc2c(Cl)ccc3cccnc32)CCOCC1 ZINC000657633461 1038930746 /nfs/dbraw/zinc/93/07/46/1038930746.db2.gz QEGBDUAPIUDJKP-UHFFFAOYSA-N 1 0 316.832 4.103 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(Cl)ccc2Cl)CCOCC1 ZINC000657633763 1038931158 /nfs/dbraw/zinc/93/11/58/1038931158.db2.gz WDXZOUKGWZCJFB-UHFFFAOYSA-N 1 0 300.229 4.208 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)cc1C#N ZINC000174408935 1038934963 /nfs/dbraw/zinc/93/49/63/1038934963.db2.gz FNAGQAHAHNPSHN-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000608887910 1038939168 /nfs/dbraw/zinc/93/91/68/1038939168.db2.gz YRBJQVCIKFOBFI-UHFFFAOYSA-N 1 0 310.828 4.423 20 30 DIEDRO CCCCCCCCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174531388 1038948792 /nfs/dbraw/zinc/94/87/92/1038948792.db2.gz OVTLKXWZKJOZED-GOSISDBHSA-N 1 0 308.510 4.071 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1cn2ccccc2c1C#N)c1ccccc1 ZINC000608976705 1038949707 /nfs/dbraw/zinc/94/97/07/1038949707.db2.gz IPUBHSFURWHFBF-MRXNPFEDSA-N 1 0 303.409 4.046 20 30 DIEDRO CC[NH+](CC)Cc1cccc(NCc2ccccc2C#N)c1F ZINC001167636984 1039029410 /nfs/dbraw/zinc/02/94/10/1039029410.db2.gz AVDZCHOCUJSSON-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(COC)cc1)Cc1ccc(OC)cc1 ZINC000534344683 1039034206 /nfs/dbraw/zinc/03/42/06/1039034206.db2.gz XWZIYXCKPTVYBH-UHFFFAOYSA-N 1 0 311.425 4.030 20 30 DIEDRO CC(C)[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CC1 ZINC000534337775 1039040757 /nfs/dbraw/zinc/04/07/57/1039040757.db2.gz FKXLPYRBNGVBBI-UHFFFAOYSA-N 1 0 322.456 4.084 20 30 DIEDRO CCCC[C@@H](C)[NH2+]Cc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000089632326 1039062110 /nfs/dbraw/zinc/06/21/10/1039062110.db2.gz QVMWXFCYWFPEHR-GDBMZVCRSA-N 1 0 304.434 4.044 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121828819 1039068261 /nfs/dbraw/zinc/06/82/61/1039068261.db2.gz LTHVUVWISJGPBW-CQSZACIVSA-N 1 0 304.459 4.115 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)cc1 ZINC000657716732 1039087224 /nfs/dbraw/zinc/08/72/24/1039087224.db2.gz TXXVPHKXLWCSKL-UHFFFAOYSA-N 1 0 307.384 4.309 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000161498311 1039092492 /nfs/dbraw/zinc/09/24/92/1039092492.db2.gz VGNQUOHRTZHRCV-INIZCTEOSA-N 1 0 310.441 4.168 20 30 DIEDRO COCCCC[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000120100260 1039111266 /nfs/dbraw/zinc/11/12/66/1039111266.db2.gz ZYHRVKJFCIPFQQ-UHFFFAOYSA-N 1 0 314.454 4.049 20 30 DIEDRO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)c1 ZINC000535968038 1039218908 /nfs/dbraw/zinc/21/89/08/1039218908.db2.gz CLPYOJSHMDHXDG-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000278170864 1039243194 /nfs/dbraw/zinc/24/31/94/1039243194.db2.gz CKLXKOWJTMFANK-KSSFIOAISA-N 1 0 322.408 4.131 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(-n2cccn2)cc1 ZINC000343161129 1039257938 /nfs/dbraw/zinc/25/79/38/1039257938.db2.gz DJZDKLAYTIQYLM-UHFFFAOYSA-N 1 0 309.438 4.122 20 30 DIEDRO CC[C@H](C[C@](C)(O)CC)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000926479170 1039274710 /nfs/dbraw/zinc/27/47/10/1039274710.db2.gz IGUDFYXBQPIILC-GUDVDZBRSA-N 1 0 302.462 4.341 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2oc3ccccc3c2CC)CC1 ZINC000539496568 1039276349 /nfs/dbraw/zinc/27/63/49/1039276349.db2.gz JHEPOVOISCEREN-OAHLLOKOSA-N 1 0 312.457 4.296 20 30 DIEDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000539497602 1039276928 /nfs/dbraw/zinc/27/69/28/1039276928.db2.gz NSLVWNWNKSHOSB-ZDUSSCGKSA-N 1 0 314.816 4.114 20 30 DIEDRO CC[C@H](C[C@@](C)(O)CC)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000926479176 1039279241 /nfs/dbraw/zinc/27/92/41/1039279241.db2.gz IGUDFYXBQPIILC-QYZOEREBSA-N 1 0 302.462 4.341 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000539508416 1039279566 /nfs/dbraw/zinc/27/95/66/1039279566.db2.gz XKSCBQNDLNNXPD-KGLIPLIRSA-N 1 0 314.816 4.330 20 30 DIEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000539507599 1039282022 /nfs/dbraw/zinc/28/20/22/1039282022.db2.gz XDJKOBYBHAZSLA-AWEZNQCLSA-N 1 0 304.846 4.384 20 30 DIEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000539607470 1039298806 /nfs/dbraw/zinc/29/88/06/1039298806.db2.gz OOXYRNYMJVCBEL-WDEREUQCSA-N 1 0 304.315 4.387 20 30 DIEDRO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000064140937 1039313490 /nfs/dbraw/zinc/31/34/90/1039313490.db2.gz NRAZFBCTSNIMNX-CYBMUJFWSA-N 1 0 316.351 4.353 20 30 DIEDRO C[C@H](C#N)C[N@H+](C[C@@H](C)c1cccc(Br)c1)C1CC1 ZINC000539825460 1039343702 /nfs/dbraw/zinc/34/37/02/1039343702.db2.gz TZZLYFJATVEELZ-CHWSQXEVSA-N 1 0 321.262 4.177 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000278284469 1039349705 /nfs/dbraw/zinc/34/97/05/1039349705.db2.gz QHZPLGUHBIGCKF-WIYYLYMNSA-N 1 0 319.452 4.125 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nccc2ccccc21 ZINC000583535361 1039363350 /nfs/dbraw/zinc/36/33/50/1039363350.db2.gz HINLPQQEMALTOS-HNNXBMFYSA-N 1 0 313.404 4.446 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000539837017 1039365659 /nfs/dbraw/zinc/36/56/59/1039365659.db2.gz UMTXQQMMUXEODU-GFCCVEGCSA-N 1 0 304.846 4.336 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000278306236 1039370641 /nfs/dbraw/zinc/37/06/41/1039370641.db2.gz SMPFCBTUAAGXLP-INIZCTEOSA-N 1 0 316.351 4.401 20 30 DIEDRO Cc1ccc(Br)cc1C[N@H+](CCC#N)C1CCCC1 ZINC001140649482 1039384915 /nfs/dbraw/zinc/38/49/15/1039384915.db2.gz SXQOCUCEWPPAMR-UHFFFAOYSA-N 1 0 321.262 4.416 20 30 DIEDRO C#CCCCCCc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000761420959 1039386801 /nfs/dbraw/zinc/38/68/01/1039386801.db2.gz BETXRDQUMNTMSY-UHFFFAOYSA-N 1 0 323.440 4.069 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)C)c1ccc(C#N)cc1 ZINC000278361144 1039414642 /nfs/dbraw/zinc/41/46/42/1039414642.db2.gz BLCCTOPSDHPOPD-GBESFXJTSA-N 1 0 300.446 4.050 20 30 DIEDRO C=C(CC)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000540204568 1039450902 /nfs/dbraw/zinc/45/09/02/1039450902.db2.gz HPWYVWXLKRODFE-UHFFFAOYSA-N 1 0 301.409 4.046 20 30 DIEDRO N#CCCCCNc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001168434094 1039461374 /nfs/dbraw/zinc/46/13/74/1039461374.db2.gz NXBMDDLJPKDILB-UHFFFAOYSA-N 1 0 305.425 4.308 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000540342368 1039481697 /nfs/dbraw/zinc/48/16/97/1039481697.db2.gz BBEPBSYAHIKGBB-NXEZZACHSA-N 1 0 306.208 4.110 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000540396350 1039486589 /nfs/dbraw/zinc/48/65/89/1039486589.db2.gz OICMGLLQNKHKII-CZUORRHYSA-N 1 0 315.379 4.177 20 30 DIEDRO C=C[C@](C)(CC)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000685222424 1039490374 /nfs/dbraw/zinc/49/03/74/1039490374.db2.gz XOQQPALOLADSKJ-LJQANCHMSA-N 1 0 311.429 4.186 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000540456885 1039499465 /nfs/dbraw/zinc/49/94/65/1039499465.db2.gz QXRXJZQBLZMKPB-ZQIUZPCESA-N 1 0 316.445 4.192 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1cccc(C#N)c1 ZINC000540594335 1039519274 /nfs/dbraw/zinc/51/92/74/1039519274.db2.gz RCUPJTDVNHLCSL-LIRRHRJNSA-N 1 0 308.450 4.239 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc2ccccc2c1)c1cccc(C#N)c1 ZINC000540594475 1039519983 /nfs/dbraw/zinc/51/99/83/1039519983.db2.gz VSMQXUDKSZQSNO-INIZCTEOSA-N 1 0 316.404 4.441 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000540608477 1039527124 /nfs/dbraw/zinc/52/71/24/1039527124.db2.gz JOMZGCOCAXSSCC-NJSLBKSFSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000540606779 1039528484 /nfs/dbraw/zinc/52/84/84/1039528484.db2.gz PAWIQAMBTKISIM-IGMJJTELSA-N 1 0 306.409 4.162 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540708592 1039544711 /nfs/dbraw/zinc/54/47/11/1039544711.db2.gz OYQVTAMGLLTYJT-CSMYWGQOSA-N 1 0 306.450 4.412 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccccc1Cl)c1ccc(C#N)c(F)c1 ZINC000540707002 1039546067 /nfs/dbraw/zinc/54/60/67/1039546067.db2.gz XRGFWHVNCYEABL-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000540700351 1039547746 /nfs/dbraw/zinc/54/77/46/1039547746.db2.gz POPUDVZIMJTIIQ-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000540700353 1039549264 /nfs/dbraw/zinc/54/92/64/1039549264.db2.gz POPUDVZIMJTIIQ-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(C#N)cc1 ZINC000278611033 1039590688 /nfs/dbraw/zinc/59/06/88/1039590688.db2.gz FRAKLZAEYWZELS-SFHVURJKSA-N 1 0 311.404 4.004 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000657830271 1039617658 /nfs/dbraw/zinc/61/76/58/1039617658.db2.gz GLENICQMCPNQRZ-YLJYHZDGSA-N 1 0 309.457 4.156 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541085257 1039617698 /nfs/dbraw/zinc/61/76/98/1039617698.db2.gz IATPFQBNPDUWGC-HRAATJIYSA-N 1 0 320.436 4.203 20 30 DIEDRO CCOc1cc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)ccc1OC ZINC000278649510 1039620047 /nfs/dbraw/zinc/62/00/47/1039620047.db2.gz HZOVNQDCABUHLS-GOSISDBHSA-N 1 0 324.424 4.206 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000278688717 1039649142 /nfs/dbraw/zinc/64/91/42/1039649142.db2.gz KIOIVJHMMWGGMK-FHWLQOOXSA-N 1 0 300.446 4.193 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)cc1 ZINC000541280971 1039652480 /nfs/dbraw/zinc/65/24/80/1039652480.db2.gz BBNAUHZCMHKABQ-FQEVSTJZSA-N 1 0 306.409 4.098 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000541314658 1039662766 /nfs/dbraw/zinc/66/27/66/1039662766.db2.gz IFFWIOYVEQMTBO-IIBYNOLFSA-N 1 0 320.436 4.344 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000541326050 1039665553 /nfs/dbraw/zinc/66/55/53/1039665553.db2.gz SXBDZHFJVDGBKK-JLTOFOAXSA-N 1 0 324.399 4.289 20 30 DIEDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@H](C)CO1 ZINC000541349756 1039670784 /nfs/dbraw/zinc/67/07/84/1039670784.db2.gz RMUUMOHACDPMNM-DYESRHJHSA-N 1 0 320.436 4.023 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000541349891 1039671680 /nfs/dbraw/zinc/67/16/80/1039671680.db2.gz CFBJMLXCUWFDIR-SFHVURJKSA-N 1 0 310.828 4.396 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)C(CC)CC)CC1 ZINC000657847425 1039698890 /nfs/dbraw/zinc/69/88/90/1039698890.db2.gz WGMUGPMZSQEPQO-HKUYNNGSSA-N 1 0 320.521 4.138 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000541736403 1039733809 /nfs/dbraw/zinc/73/38/09/1039733809.db2.gz INYMJLPUZWRRSN-IBGZPJMESA-N 1 0 302.462 4.059 20 30 DIEDRO N#Cc1ccc(SCC[NH+]2CCCCC2)cc1C(F)(F)F ZINC000542003994 1039778332 /nfs/dbraw/zinc/77/83/32/1039778332.db2.gz YBMOYWHEGFTUCD-UHFFFAOYSA-N 1 0 314.376 4.155 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)[C@@H]2CCCC[C@H]21 ZINC000542184564 1039810840 /nfs/dbraw/zinc/81/08/40/1039810840.db2.gz CMCORCHOIWSIEC-LSTHTHJFSA-N 1 0 312.457 4.380 20 30 DIEDRO Cc1oc2ccccc2c1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271775105 1039820146 /nfs/dbraw/zinc/82/01/46/1039820146.db2.gz CHMFBWIZZZZXFX-UHFFFAOYSA-N 1 0 302.377 4.392 20 30 DIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611864333 1039823311 /nfs/dbraw/zinc/82/33/11/1039823311.db2.gz SJBOWGMEPRXNGH-CABCVRRESA-N 1 0 318.424 4.106 20 30 DIEDRO CCOCc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271901070 1039873602 /nfs/dbraw/zinc/87/36/02/1039873602.db2.gz AOGNRPQFLDHTHK-CQSZACIVSA-N 1 0 312.388 4.085 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611870452 1039875904 /nfs/dbraw/zinc/87/59/04/1039875904.db2.gz OGSTWAATQXVDMR-DLBZAZTESA-N 1 0 322.452 4.427 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1F ZINC000271937809 1039910669 /nfs/dbraw/zinc/91/06/69/1039910669.db2.gz KSVGQJCZMWOHKS-GFCCVEGCSA-N 1 0 316.351 4.086 20 30 DIEDRO CC(C)Oc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271948873 1039912173 /nfs/dbraw/zinc/91/21/73/1039912173.db2.gz QVELCTMFLAFEGP-CQSZACIVSA-N 1 0 312.388 4.335 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000090398901 1039913592 /nfs/dbraw/zinc/91/35/92/1039913592.db2.gz MZKGZAZYXDFPMK-LBPRGKRZSA-N 1 0 313.413 4.464 20 30 DIEDRO N#CCCCOc1cccnc1NCc1cccc(Cl)c1 ZINC000162235416 1039947151 /nfs/dbraw/zinc/94/71/51/1039947151.db2.gz JCYAHVGOBITERT-UHFFFAOYSA-N 1 0 301.777 4.030 20 30 DIEDRO Cc1csc(CCCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000271987798 1039950475 /nfs/dbraw/zinc/95/04/75/1039950475.db2.gz YKHJNEJMHGICNS-ZDUSSCGKSA-N 1 0 317.433 4.136 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccc1Br)C1CCCCC1 ZINC000492416872 1039959989 /nfs/dbraw/zinc/95/99/89/1039959989.db2.gz LOSHBTHMKOCCKA-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)ccc1C#N ZINC000443973703 1039986061 /nfs/dbraw/zinc/98/60/61/1039986061.db2.gz PUZDEEUDLCUDSP-LJQANCHMSA-N 1 0 318.424 4.230 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)ccc1C#N ZINC000443966919 1039988244 /nfs/dbraw/zinc/98/82/44/1039988244.db2.gz OMJBYJPGKYHBCR-SFHVURJKSA-N 1 0 310.372 4.009 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)ccc1C#N ZINC000443986930 1040004357 /nfs/dbraw/zinc/00/43/57/1040004357.db2.gz GOPQDTYXQLFZEO-PMACEKPBSA-N 1 0 324.399 4.016 20 30 DIEDRO Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443986769 1040005815 /nfs/dbraw/zinc/00/58/15/1040005815.db2.gz WLCVVFLVMVSOSE-NHCUHLMSSA-N 1 0 320.436 4.185 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179201176 1040057257 /nfs/dbraw/zinc/05/72/57/1040057257.db2.gz GCKRHECRTFBAGC-HNNXBMFYSA-N 1 0 319.408 4.022 20 30 DIEDRO COCc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000179204032 1040068446 /nfs/dbraw/zinc/06/84/46/1040068446.db2.gz CPLMTZFJUKXZJG-UHFFFAOYSA-N 1 0 308.425 4.115 20 30 DIEDRO N#Cc1cc(C[NH+](Cc2ccccc2)Cc2ccccc2)ccn1 ZINC000307575228 1040092270 /nfs/dbraw/zinc/09/22/70/1040092270.db2.gz IIXHJGUZCWXNRJ-UHFFFAOYSA-N 1 0 313.404 4.156 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCCCC[C@H]2/C=C\c2cccs2)ccn1 ZINC000611941639 1040101212 /nfs/dbraw/zinc/10/12/12/1040101212.db2.gz BBFXCJQJUFGGMH-ZEVQVBBLSA-N 1 0 323.465 4.473 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000685618555 1040161433 /nfs/dbraw/zinc/16/14/33/1040161433.db2.gz RRTHPHQQXZJPLK-MRVPVSSYSA-N 1 0 308.141 4.132 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000685618556 1040162710 /nfs/dbraw/zinc/16/27/10/1040162710.db2.gz RRTHPHQQXZJPLK-QMMMGPOBSA-N 1 0 308.141 4.132 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000657931317 1040188970 /nfs/dbraw/zinc/18/89/70/1040188970.db2.gz HGUISZVTIUWYNP-NZSAHSFTSA-N 1 0 312.457 4.209 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000658028354 1040266437 /nfs/dbraw/zinc/26/64/37/1040266437.db2.gz CUZOUOXJMWTMAT-BVBHFADKSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CCCC1(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CCCC1 ZINC000658098314 1040303589 /nfs/dbraw/zinc/30/35/89/1040303589.db2.gz NHTHGQLVTQUATD-KRWDZBQOSA-N 1 0 310.445 4.010 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(-c2ccc(OC)cc2)no1 ZINC000658189290 1040348859 /nfs/dbraw/zinc/34/88/59/1040348859.db2.gz YUEGUELPULBPPB-KGLIPLIRSA-N 1 0 300.402 4.041 20 30 DIEDRO COc1cccc(CC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000612123292 1040410329 /nfs/dbraw/zinc/41/03/29/1040410329.db2.gz RRARIGXQKLKOBA-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000658334505 1040428911 /nfs/dbraw/zinc/42/89/11/1040428911.db2.gz KVJSMGMAZKDAME-JTDSTZFVSA-N 1 0 311.425 4.024 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000179656695 1040519203 /nfs/dbraw/zinc/51/92/03/1040519203.db2.gz GBAAGRAORMZIJK-OAHLLOKOSA-N 1 0 319.408 4.022 20 30 DIEDRO CC(C)(C)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000236622826 1040614440 /nfs/dbraw/zinc/61/44/40/1040614440.db2.gz UWPWNOPDGQXDGW-UHFFFAOYSA-N 1 0 308.425 4.273 20 30 DIEDRO CC(C)(C#N)CNCc1cc(Cl)ccc1OC1CCCC1 ZINC000612585361 1040646836 /nfs/dbraw/zinc/64/68/36/1040646836.db2.gz ZYMVUTHBUUKSBC-UHFFFAOYSA-N 1 0 306.837 4.301 20 30 DIEDRO N#Cc1ccccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000177458968 1040673121 /nfs/dbraw/zinc/67/31/21/1040673121.db2.gz IYTKAISYLDFZPE-OALUTQOASA-N 1 0 324.424 4.020 20 30 DIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1 ZINC000177745028 1040766915 /nfs/dbraw/zinc/76/69/15/1040766915.db2.gz JSAXHVNVQNXHDD-LEWJYISDSA-N 1 0 320.436 4.113 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000661378282 1040768931 /nfs/dbraw/zinc/76/89/31/1040768931.db2.gz BPBAYMIXQACQCU-QWHCGFSZSA-N 1 0 303.431 4.147 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000580648651 1040826097 /nfs/dbraw/zinc/82/60/97/1040826097.db2.gz JTBIADBPURGTEK-GOSISDBHSA-N 1 0 321.380 4.112 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCOc2cccc(Cl)c2Cl)C1 ZINC000613255063 1040843005 /nfs/dbraw/zinc/84/30/05/1040843005.db2.gz BKYPWXDQFUXMAH-VXGBXAGGSA-N 1 0 313.228 4.044 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000613254760 1040843644 /nfs/dbraw/zinc/84/36/44/1040843644.db2.gz YDGWREZTYSKJQO-DOMZBBRYSA-N 1 0 301.821 4.036 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCc2cccc(Br)c2)C1 ZINC000613254376 1040843707 /nfs/dbraw/zinc/84/37/07/1040843707.db2.gz IDOOKWKIVJPAMG-GOEBONIOSA-N 1 0 321.262 4.054 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C)c1ccc(C#N)cc1 ZINC000581706250 1040869302 /nfs/dbraw/zinc/86/93/02/1040869302.db2.gz RBPMXWRRKQBICN-RCCFBDPRSA-N 1 0 300.446 4.191 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)c1ccc(C#N)cc1 ZINC000581706248 1040870593 /nfs/dbraw/zinc/87/05/93/1040870593.db2.gz RBPMXWRRKQBICN-KSZLIROESA-N 1 0 300.446 4.191 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000178052984 1040888553 /nfs/dbraw/zinc/88/85/53/1040888553.db2.gz MMBJVWVIXZBKIG-GFCCVEGCSA-N 1 0 302.418 4.322 20 30 DIEDRO COc1ccc(C[C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cn1 ZINC000414152154 1040924858 /nfs/dbraw/zinc/92/48/58/1040924858.db2.gz WXDFGZWHKBTSRC-QFBILLFUSA-N 1 0 323.440 4.046 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)c(Br)c1 ZINC000414174507 1040954337 /nfs/dbraw/zinc/95/43/37/1040954337.db2.gz YCBQVTJNAZRCCC-SNVBAGLBSA-N 1 0 313.214 4.179 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)nc1C ZINC000414174052 1040955294 /nfs/dbraw/zinc/95/52/94/1040955294.db2.gz XRWVLPDAGMDZJZ-FQEVSTJZSA-N 1 0 305.425 4.127 20 30 DIEDRO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000926761900 1041081918 /nfs/dbraw/zinc/08/19/18/1041081918.db2.gz BIRCIXBDFAMODB-GFCCVEGCSA-N 1 0 301.409 4.076 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C[NH2+]CC ZINC000659018532 1041150675 /nfs/dbraw/zinc/15/06/75/1041150675.db2.gz IKJBJTDDSLOASB-NVXWUHKLSA-N 1 0 315.461 4.053 20 30 DIEDRO C=CCCC1(CNC(=O)Nc2ccccc2C[NH2+]C)CCCC1 ZINC000659019708 1041152524 /nfs/dbraw/zinc/15/25/24/1041152524.db2.gz PABXXXQVDBAQOD-UHFFFAOYSA-N 1 0 315.461 4.054 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000809544551 1041189844 /nfs/dbraw/zinc/18/98/44/1041189844.db2.gz MILPWJNJGRVMIR-SFHVURJKSA-N 1 0 316.404 4.189 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000809605785 1041192478 /nfs/dbraw/zinc/19/24/78/1041192478.db2.gz IRIZODSHRGIMOC-UHFFFAOYSA-N 1 0 307.290 4.116 20 30 DIEDRO C=C(Br)C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000809616120 1041197906 /nfs/dbraw/zinc/19/79/06/1041197906.db2.gz JLCRFEQESASREH-SECBINFHSA-N 1 0 322.168 4.307 20 30 DIEDRO C#Cc1ccc(CNc2cc(C[NH+]3CCCC3)ccc2C)cc1 ZINC000809600932 1041201267 /nfs/dbraw/zinc/20/12/67/1041201267.db2.gz PRLBDDGNLUUDRQ-UHFFFAOYSA-N 1 0 304.437 4.184 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC)c(OCC)c2)cc1 ZINC000809602673 1041202243 /nfs/dbraw/zinc/20/22/43/1041202243.db2.gz VLKUKRMBNCKKGW-INIZCTEOSA-N 1 0 323.436 4.316 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(C)cc2OCC2CC2)cc1 ZINC000809628456 1041205801 /nfs/dbraw/zinc/20/58/01/1041205801.db2.gz JDIFESQTDZWGMA-UHFFFAOYSA-N 1 0 305.421 4.055 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000809627043 1041206896 /nfs/dbraw/zinc/20/68/96/1041206896.db2.gz OEUNMWVLWJUSHI-LJQANCHMSA-N 1 0 303.405 4.204 20 30 DIEDRO C#Cc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000809643156 1041208717 /nfs/dbraw/zinc/20/87/17/1041208717.db2.gz ODIWLYKWXYTKIS-QGZVFWFLSA-N 1 0 303.327 4.104 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000809639274 1041208930 /nfs/dbraw/zinc/20/89/30/1041208930.db2.gz JCRPVXLSCQLQKR-NHCUHLMSSA-N 1 0 323.411 4.159 20 30 DIEDRO C#Cc1ccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)cc1 ZINC000809644210 1041213265 /nfs/dbraw/zinc/21/32/65/1041213265.db2.gz NEKUZRUBWVFCGT-UHFFFAOYSA-N 1 0 319.448 4.145 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2nc3c(cc2C#N)CCCC3(C)C)cc1 ZINC001204625241 1041224628 /nfs/dbraw/zinc/22/46/28/1041224628.db2.gz DMTOTRZXGBFALR-UHFFFAOYSA-N 1 0 319.452 4.296 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000809757605 1041248179 /nfs/dbraw/zinc/24/81/79/1041248179.db2.gz PZGWHJFFTGTPCE-IBGZPJMESA-N 1 0 307.441 4.125 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000188907413 1041271382 /nfs/dbraw/zinc/27/13/82/1041271382.db2.gz NSNQYTUWUMMXKN-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO C[C@H](Nc1cc(OCC(F)(F)F)cc[nH+]1)c1cccc(C#N)c1 ZINC001167708711 1041297926 /nfs/dbraw/zinc/29/79/26/1041297926.db2.gz BXJFPLJPWZABSK-NSHDSACASA-N 1 0 321.302 4.067 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)c1 ZINC000810144460 1041321056 /nfs/dbraw/zinc/32/10/56/1041321056.db2.gz ABJLRVJHWCLSFG-AYOQOUSVSA-N 1 0 312.457 4.450 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccccc1 ZINC000810151151 1041327143 /nfs/dbraw/zinc/32/71/43/1041327143.db2.gz URVDIHJESMBZRS-QGZVFWFLSA-N 1 0 319.326 4.265 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc(Br)nc1)c1ccccc1 ZINC000810214111 1041338247 /nfs/dbraw/zinc/33/82/47/1041338247.db2.gz OSZQWGFEZJZBPZ-CYBMUJFWSA-N 1 0 317.230 4.208 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000311722665 1041339704 /nfs/dbraw/zinc/33/97/04/1041339704.db2.gz MNLIBDHPLNUHMJ-NSHDSACASA-N 1 0 324.218 4.049 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCSCc1ccccc1)CC2 ZINC000810208704 1041347845 /nfs/dbraw/zinc/34/78/45/1041347845.db2.gz ZFRLTBMMXWSXBI-LJQANCHMSA-N 1 0 308.450 4.069 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000924593924 1041349392 /nfs/dbraw/zinc/34/93/92/1041349392.db2.gz AIDAGDHENMLMLK-GFCCVEGCSA-N 1 0 314.351 4.046 20 30 DIEDRO N#Cc1cc(Br)ccc1C[N@H+](C1CC1)C1CCCC1 ZINC000563734398 1041386443 /nfs/dbraw/zinc/38/64/43/1041386443.db2.gz RQYUBDLNOONAQE-UHFFFAOYSA-N 1 0 319.246 4.228 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+]C2CCN(C)CC2)c1 ZINC000236638695 1041398163 /nfs/dbraw/zinc/39/81/63/1041398163.db2.gz KDJFZQXQNXGJPZ-UHFFFAOYSA-N 1 0 318.505 4.220 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000236642045 1041399043 /nfs/dbraw/zinc/39/90/43/1041399043.db2.gz OQQHIOHVMMGTHB-KRWDZBQOSA-N 1 0 303.494 4.389 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000613661578 1041410716 /nfs/dbraw/zinc/41/07/16/1041410716.db2.gz WTMUKVLFBGDBET-MWLCHTKSSA-N 1 0 302.727 4.141 20 30 DIEDRO N#CCCCC[NH2+][C@@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1 ZINC000892929361 1041422250 /nfs/dbraw/zinc/42/22/50/1041422250.db2.gz ICVHURKLMLEAFE-XJKSGUPXSA-N 1 0 310.363 4.414 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCCc2ccccc2)cc1 ZINC000728713203 1041478447 /nfs/dbraw/zinc/47/84/47/1041478447.db2.gz UMHJKAVBAWNSNO-QGZVFWFLSA-N 1 0 308.425 4.090 20 30 DIEDRO C=CCCc1ccccc1NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000415678840 1041480915 /nfs/dbraw/zinc/48/09/15/1041480915.db2.gz XIOCBBSCZOGWKS-OAHLLOKOSA-N 1 0 323.440 4.147 20 30 DIEDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728715078 1041481105 /nfs/dbraw/zinc/48/11/05/1041481105.db2.gz GMANXEOCHCUUFF-QFBILLFUSA-N 1 0 308.425 4.088 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000728713021 1041481108 /nfs/dbraw/zinc/48/11/08/1041481108.db2.gz IIQZPUOXVDRHRU-FZKQIMNGSA-N 1 0 312.438 4.280 20 30 DIEDRO N#Cc1ccc(CNc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000122681009 1041487661 /nfs/dbraw/zinc/48/76/61/1041487661.db2.gz NTCORFLXPSLMPG-UHFFFAOYSA-N 1 0 305.425 4.156 20 30 DIEDRO C=C(C)C[N@H+]1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001170632275 1041505895 /nfs/dbraw/zinc/50/58/95/1041505895.db2.gz HEBTYSRTVJISKM-LJQANCHMSA-N 1 0 320.908 4.448 20 30 DIEDRO Cc1ccc(C[NH+](C)C)cc1N[C@H](C)c1ccc(OCC#N)cc1 ZINC000179993740 1041522112 /nfs/dbraw/zinc/52/21/12/1041522112.db2.gz OUKJWDIJMSCDCR-MRXNPFEDSA-N 1 0 323.440 4.132 20 30 DIEDRO CCCC[NH+](CCCC)CCNc1ccc(OCCC#N)cc1 ZINC001167734504 1041546979 /nfs/dbraw/zinc/54/69/79/1041546979.db2.gz HRKIBTJCGHOBHN-UHFFFAOYSA-N 1 0 317.477 4.293 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(F)cc1C#N ZINC001170639542 1041547083 /nfs/dbraw/zinc/54/70/83/1041547083.db2.gz QGKNKXSICKJGJY-QEEYODRMSA-N 1 0 308.400 4.464 20 30 DIEDRO Cc1ccc([C@@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181778807 1041557177 /nfs/dbraw/zinc/55/71/77/1041557177.db2.gz ZQOBYSBOOQORSH-IRXDYDNUSA-N 1 0 308.425 4.352 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccccc1 ZINC000893238705 1041572194 /nfs/dbraw/zinc/57/21/94/1041572194.db2.gz ORUVNHDZCAEBSJ-CQSZACIVSA-N 1 0 324.371 4.102 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c1Cl ZINC001141114077 1041595062 /nfs/dbraw/zinc/59/50/62/1041595062.db2.gz CYNLLOOIVURTFM-LBPRGKRZSA-N 1 0 323.893 4.258 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@](C)(OC)C2CC2)cc1 ZINC000812734613 1041642721 /nfs/dbraw/zinc/64/27/21/1041642721.db2.gz OOTMLWFEXFDMQD-KBXCAEBGSA-N 1 0 323.864 4.284 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812900169 1041661120 /nfs/dbraw/zinc/66/11/20/1041661120.db2.gz QFGRVFTVMGKCBE-HOTGVXAUSA-N 1 0 315.461 4.002 20 30 DIEDRO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417359530 1041663148 /nfs/dbraw/zinc/66/31/48/1041663148.db2.gz GRENYJYNWVMBJW-AUUYWEPGSA-N 1 0 305.425 4.244 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000417374372 1041663816 /nfs/dbraw/zinc/66/38/16/1041663816.db2.gz YCTFEVGBUMSOPZ-RTWAWAEBSA-N 1 0 317.436 4.462 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000417374370 1041664436 /nfs/dbraw/zinc/66/44/36/1041664436.db2.gz YCTFEVGBUMSOPZ-LEWJYISDSA-N 1 0 317.436 4.462 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000417370262 1041666320 /nfs/dbraw/zinc/66/63/20/1041666320.db2.gz SFUAXHWASYEZRE-RNODOKPDSA-N 1 0 319.383 4.297 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1O ZINC000417375915 1041667508 /nfs/dbraw/zinc/66/75/08/1041667508.db2.gz ZXJKPIJDOOIGGZ-FZKQIMNGSA-N 1 0 322.408 4.001 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1O ZINC000417375913 1041667590 /nfs/dbraw/zinc/66/75/90/1041667590.db2.gz ZXJKPIJDOOIGGZ-ACJLOTCBSA-N 1 0 322.408 4.001 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000188180793 1041674586 /nfs/dbraw/zinc/67/45/86/1041674586.db2.gz GRPJGRRTTDQVOG-FPOVZHCZSA-N 1 0 320.436 4.189 20 30 DIEDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000728776696 1041678604 /nfs/dbraw/zinc/67/86/04/1041678604.db2.gz SQDHFWAFTODQDB-NJAFHUGGSA-N 1 0 300.446 4.282 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccc(F)c(F)c1 ZINC000775723805 1041714266 /nfs/dbraw/zinc/71/42/66/1041714266.db2.gz NJURNNNUWCIYJY-ZWNOBZJWSA-N 1 0 306.183 4.365 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000747870632 1041728384 /nfs/dbraw/zinc/72/83/84/1041728384.db2.gz DQQDLOBDQNGSGI-JKSUJKDBSA-N 1 0 314.256 4.361 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(O)c1Cl ZINC000418152174 1041731371 /nfs/dbraw/zinc/73/13/71/1041731371.db2.gz YDMBNQIQYIEQHE-INIZCTEOSA-N 1 0 312.800 4.084 20 30 DIEDRO CCc1cc(OC)ccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418146553 1041732421 /nfs/dbraw/zinc/73/24/21/1041732421.db2.gz PXNCILABJWPLNJ-OAQYLSRUSA-N 1 0 320.436 4.296 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)cn1)C1CCCC1 ZINC000813868835 1041738221 /nfs/dbraw/zinc/73/82/21/1041738221.db2.gz MIXVVQZQWVBSOP-FQEVSTJZSA-N 1 0 305.425 4.283 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000709386420 1041754140 /nfs/dbraw/zinc/75/41/40/1041754140.db2.gz WAVBTNNJKNPDHI-KSWRQPAISA-N 1 0 322.493 4.107 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000709386421 1041754401 /nfs/dbraw/zinc/75/44/01/1041754401.db2.gz WAVBTNNJKNPDHI-SIRPWMCASA-N 1 0 322.493 4.107 20 30 DIEDRO C#CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)C1CCCCC1 ZINC000759844987 1041773049 /nfs/dbraw/zinc/77/30/49/1041773049.db2.gz NOIHVAGOMYTSGD-UHFFFAOYSA-N 1 0 316.392 4.238 20 30 DIEDRO CC(C)[C@@H]1[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC12CCC2 ZINC000814171450 1041777946 /nfs/dbraw/zinc/77/79/46/1041777946.db2.gz PDTZBBFTHQWKRJ-IBGZPJMESA-N 1 0 311.473 4.047 20 30 DIEDRO CC(C)[C@H]1[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC12CCC2 ZINC000814171451 1041777965 /nfs/dbraw/zinc/77/79/65/1041777965.db2.gz PDTZBBFTHQWKRJ-LJQANCHMSA-N 1 0 311.473 4.047 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)cc1 ZINC000814297280 1041801579 /nfs/dbraw/zinc/80/15/79/1041801579.db2.gz FCISMXACXPVWHO-IERDGZPVSA-N 1 0 320.436 4.261 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+]Cc1cc(C#N)ccc1F ZINC000814294506 1041801782 /nfs/dbraw/zinc/80/17/82/1041801782.db2.gz RHPABMLTZACEDS-DHDCSXOGSA-N 1 0 324.399 4.037 20 30 DIEDRO CCOc1ccc(O)c(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000814305196 1041808280 /nfs/dbraw/zinc/80/82/80/1041808280.db2.gz XWMFOITUCXCEMP-LJQANCHMSA-N 1 0 324.424 4.316 20 30 DIEDRO CCOc1ccc(O)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000814305194 1041808761 /nfs/dbraw/zinc/80/87/61/1041808761.db2.gz XWMFOITUCXCEMP-IBGZPJMESA-N 1 0 324.424 4.316 20 30 DIEDRO CCOc1cccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1O ZINC000814305000 1041808873 /nfs/dbraw/zinc/80/88/73/1041808873.db2.gz VQYTYEFBOITRII-SFHVURJKSA-N 1 0 324.424 4.316 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC001134279293 1041811947 /nfs/dbraw/zinc/81/19/47/1041811947.db2.gz NJBQIHASZPXEJC-SFHVURJKSA-N 1 0 310.526 4.316 20 30 DIEDRO CC1(C)[C@@H]2C[C@H]([NH+]3CCC(Cc4ccc(C#N)cc4)CC3)C[C@@H]21 ZINC001170758591 1041853503 /nfs/dbraw/zinc/85/35/03/1041853503.db2.gz RXYKIYOFAZSUJD-ACDBMABISA-N 1 0 308.469 4.247 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3ccc(OCC#N)cc3)cc2)CC1 ZINC001212607919 1041859092 /nfs/dbraw/zinc/85/90/92/1041859092.db2.gz GRZKIMZNRFSVOB-UHFFFAOYSA-N 1 0 321.424 4.142 20 30 DIEDRO CC(N=Nc1cc(F)c(F)cc1F)c1ccc(C[NH+](C)C)cc1 ZINC000814851873 1041878323 /nfs/dbraw/zinc/87/83/23/1041878323.db2.gz ZEZCRNXGDUGHST-UHFFFAOYSA-N 1 0 321.346 4.002 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000651718892 1041892674 /nfs/dbraw/zinc/89/26/74/1041892674.db2.gz CDTGMQFIAITAHJ-VXIBKDFQSA-N 1 0 318.530 4.465 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000651723997 1041894800 /nfs/dbraw/zinc/89/48/00/1041894800.db2.gz HONQIRZUNFTFNJ-WDEREUQCSA-N 1 0 304.381 4.039 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC3(CCSCC3)CC2)CCC1 ZINC000931466236 1041899658 /nfs/dbraw/zinc/89/96/58/1041899658.db2.gz ZMPHIPIWLIENJL-UHFFFAOYSA-N 1 0 306.519 4.460 20 30 DIEDRO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000815022087 1041904092 /nfs/dbraw/zinc/90/40/92/1041904092.db2.gz XDEGFMJJALUPEC-UHFFFAOYSA-N 1 0 302.296 4.010 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000651761459 1041906366 /nfs/dbraw/zinc/90/63/66/1041906366.db2.gz SVRYZWCKBRDOFZ-FDPIWHGQSA-N 1 0 303.421 4.380 20 30 DIEDRO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1N(C)C ZINC000815027370 1041906997 /nfs/dbraw/zinc/90/69/97/1041906997.db2.gz CMFGFEQWCKZLBF-UHFFFAOYSA-N 1 0 319.452 4.097 20 30 DIEDRO CC[N@H+](CCOCCC#N)C(c1ccccc1)c1ccccc1 ZINC000815068748 1041909359 /nfs/dbraw/zinc/90/93/59/1041909359.db2.gz BPJUPDHXAHFQMP-UHFFFAOYSA-N 1 0 308.425 4.028 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000651785031 1041911092 /nfs/dbraw/zinc/91/10/92/1041911092.db2.gz MVCZOXSRRKQLER-UXLLHSPISA-N 1 0 311.429 4.056 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)C1 ZINC000651821118 1041924594 /nfs/dbraw/zinc/92/45/94/1041924594.db2.gz DEDWIDVSNKAGDO-AEFFLSMTSA-N 1 0 314.477 4.083 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000661381016 1041929444 /nfs/dbraw/zinc/92/94/44/1041929444.db2.gz SXRLDILULXFKRQ-NVXWUHKLSA-N 1 0 311.429 4.010 20 30 DIEDRO C=C(C)C[NH+]1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC001170784424 1041949669 /nfs/dbraw/zinc/94/96/69/1041949669.db2.gz UTLLYCLYZVOBPJ-ZIAGYGMSSA-N 1 0 312.379 4.181 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000278846062 1041950732 /nfs/dbraw/zinc/95/07/32/1041950732.db2.gz VDRAJEPTDOCEER-CXAGYDPISA-N 1 0 309.369 4.268 20 30 DIEDRO CC(C)(C#N)CCCCOC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446072 1041953170 /nfs/dbraw/zinc/95/31/70/1041953170.db2.gz OJOVIHCCPKZVIY-QGZVFWFLSA-N 1 0 320.477 4.047 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1)c1ccncc1 ZINC000815580820 1041965540 /nfs/dbraw/zinc/96/55/40/1041965540.db2.gz RKHSQTXQLRTYSV-OALUTQOASA-N 1 0 324.424 4.226 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)cc1C#N ZINC000815597364 1041971016 /nfs/dbraw/zinc/97/10/16/1041971016.db2.gz UQTRJZSEBNCYRX-AWEZNQCLSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000815630426 1041978191 /nfs/dbraw/zinc/97/81/91/1041978191.db2.gz JRDBIUCPRUAFPT-IERDGZPVSA-N 1 0 320.436 4.433 20 30 DIEDRO C=CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)(C)C ZINC000661754740 1041990862 /nfs/dbraw/zinc/99/08/62/1041990862.db2.gz CQQWMWWFLCKOHT-UHFFFAOYSA-N 1 0 305.809 4.177 20 30 DIEDRO C#CC1CC[NH+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000830329826 1042026984 /nfs/dbraw/zinc/02/69/84/1042026984.db2.gz IOWCUQKGELYMRO-UHFFFAOYSA-N 1 0 314.816 4.149 20 30 DIEDRO CC(C)(Cc1ccccc1Cl)[NH2+]Cc1ccc(C#N)s1 ZINC000236772583 1042041150 /nfs/dbraw/zinc/04/11/50/1042041150.db2.gz UBSNYXSOKALRJY-UHFFFAOYSA-N 1 0 304.846 4.384 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(-c2ccc(C)o2)n1 ZINC000662078590 1042056982 /nfs/dbraw/zinc/05/69/82/1042056982.db2.gz DSYXIHRIQVWFOX-GASCZTMLSA-N 1 0 300.427 4.395 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2cccc(Cl)c2)no1 ZINC000662079294 1042058219 /nfs/dbraw/zinc/05/82/19/1042058219.db2.gz MDBKEYXNCGFVHG-GASCZTMLSA-N 1 0 315.804 4.073 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1c(C)cccc1C(C)C ZINC000662082914 1042058636 /nfs/dbraw/zinc/05/86/36/1042058636.db2.gz YKDSKEDZWKPJPD-CALCHBBNSA-N 1 0 312.457 4.240 20 30 DIEDRO C=CCC1(C(=O)NCC2([NH+](C)C)CCCCCC2)CCCCC1 ZINC001135606384 1042060071 /nfs/dbraw/zinc/06/00/71/1042060071.db2.gz QNTJGONGMXILSI-UHFFFAOYSA-N 1 0 320.521 4.284 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](CC)C2)cc1 ZINC000817586465 1042118477 /nfs/dbraw/zinc/11/84/77/1042118477.db2.gz ORNOZIBFMDAADZ-BHYGNILZSA-N 1 0 323.864 4.426 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCC2(O)CCC2)cc1 ZINC000817587126 1042118760 /nfs/dbraw/zinc/11/87/60/1042118760.db2.gz VBFLPAFODYNJLF-OAHLLOKOSA-N 1 0 323.864 4.164 20 30 DIEDRO C=CCCCC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000817587294 1042118771 /nfs/dbraw/zinc/11/87/71/1042118771.db2.gz VTWMAICIQAMTCF-LBPRGKRZSA-N 1 0 315.280 4.303 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)c1 ZINC000817590555 1042119850 /nfs/dbraw/zinc/11/98/50/1042119850.db2.gz YHBNWZKHNQHISE-HXUWFJFHSA-N 1 0 309.384 4.057 20 30 DIEDRO CC(C)n1cncc1CNc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000818215185 1042143168 /nfs/dbraw/zinc/14/31/68/1042143168.db2.gz BGMHVSFKIUEMMW-UHFFFAOYSA-N 1 0 312.417 4.125 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000818357309 1042151089 /nfs/dbraw/zinc/15/10/89/1042151089.db2.gz YWPRNCUMYXZQGO-OFQRWUPVSA-N 1 0 304.821 4.161 20 30 DIEDRO CCCCCCCCC[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC001167805131 1042154112 /nfs/dbraw/zinc/15/41/12/1042154112.db2.gz WVRKATMAVAUDDF-UHFFFAOYSA-N 1 0 318.505 4.260 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170916378 1042159359 /nfs/dbraw/zinc/15/93/59/1042159359.db2.gz CQFXUZXRZRPRQZ-GOSISDBHSA-N 1 0 322.839 4.127 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000624037384 1042167958 /nfs/dbraw/zinc/16/79/58/1042167958.db2.gz YPYFJMXHVYACIC-MRXNPFEDSA-N 1 0 317.864 4.355 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cc1 ZINC001206091809 1042189968 /nfs/dbraw/zinc/18/99/68/1042189968.db2.gz SQKXBKYGNBXXLR-SJORKVTESA-N 1 0 303.833 4.096 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170935069 1042192779 /nfs/dbraw/zinc/19/27/79/1042192779.db2.gz GKBQEWGQYBJTBF-KRWDZBQOSA-N 1 0 310.828 4.201 20 30 DIEDRO CCCCCCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000820390987 1042213381 /nfs/dbraw/zinc/21/33/81/1042213381.db2.gz LLVQIHDWQMAINE-LJQANCHMSA-N 1 0 316.489 4.300 20 30 DIEDRO CCOc1cccc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000821021546 1042238211 /nfs/dbraw/zinc/23/82/11/1042238211.db2.gz HRXDIYHTWBDHBG-VAWYXSNFSA-N 1 0 309.409 4.043 20 30 DIEDRO CSc1ccc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000821022824 1042238380 /nfs/dbraw/zinc/23/83/80/1042238380.db2.gz VMKMKYFSSRWMQX-FMIVXFBMSA-N 1 0 311.450 4.366 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCCC2)O1 ZINC000569943299 1042241871 /nfs/dbraw/zinc/24/18/71/1042241871.db2.gz BNZACEQJOCHIPE-LJQANCHMSA-N 1 0 312.457 4.260 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](CO)c1ccccc1Cl)c1ccco1 ZINC000558257749 1042249988 /nfs/dbraw/zinc/24/99/88/1042249988.db2.gz NZWXGPUJRQVASR-RHSMWYFYSA-N 1 0 319.832 4.306 20 30 DIEDRO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3scc(C)c3c2)cc1 ZINC001170984884 1042281101 /nfs/dbraw/zinc/28/11/01/1042281101.db2.gz JMDQXNMLRTWNNS-UHFFFAOYSA-N 1 0 324.405 4.033 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000822433239 1042285932 /nfs/dbraw/zinc/28/59/32/1042285932.db2.gz LHTNIXSXWNXHSZ-OKZBNKHCSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000822433229 1042286185 /nfs/dbraw/zinc/28/61/85/1042286185.db2.gz LHTNIXSXWNXHSZ-BZSNNMDCSA-N 1 0 308.510 4.116 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822525427 1042288893 /nfs/dbraw/zinc/28/88/93/1042288893.db2.gz GQODFAGBKFWFMB-HOTGVXAUSA-N 1 0 319.408 4.042 20 30 DIEDRO C#CCCCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000318741373 1042290270 /nfs/dbraw/zinc/29/02/70/1042290270.db2.gz WKDYXPORAPTFFI-UHFFFAOYSA-N 1 0 310.422 4.449 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822803106 1042300631 /nfs/dbraw/zinc/30/06/31/1042300631.db2.gz HWHHOMBOUZMHNR-MRXNPFEDSA-N 1 0 321.251 4.231 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C(C)C ZINC001136650348 1042306916 /nfs/dbraw/zinc/30/69/16/1042306916.db2.gz XLTCRLKNRSRGKW-KZNAEPCWSA-N 1 0 322.537 4.120 20 30 DIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cnc(CC)s1 ZINC000348879125 1042308167 /nfs/dbraw/zinc/30/81/67/1042308167.db2.gz SCWCLWSQWFSWEP-UHFFFAOYSA-N 1 0 318.490 4.061 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001167876649 1042321436 /nfs/dbraw/zinc/32/14/36/1042321436.db2.gz RPRCHALNCOLJNP-HIFRSBDPSA-N 1 0 315.392 4.020 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001171019351 1042330631 /nfs/dbraw/zinc/33/06/31/1042330631.db2.gz VIAPMLZYUCRIQJ-VQTJNVASSA-N 1 0 320.436 4.335 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccccc1NC(C)=O ZINC000279676182 1042330915 /nfs/dbraw/zinc/33/09/15/1042330915.db2.gz NYPAATSKTAYQIK-UHFFFAOYSA-N 1 0 308.425 4.223 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(Cl)nc(Cl)c1 ZINC000823617182 1042334798 /nfs/dbraw/zinc/33/47/98/1042334798.db2.gz GNEZSURYWIBHBO-LLVKDONJSA-N 1 0 320.223 4.453 20 30 DIEDRO CC(C)CCN(CCC#N)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356188789 1042357310 /nfs/dbraw/zinc/35/73/10/1042357310.db2.gz FNKCGCMEYUBGHI-UHFFFAOYSA-N 1 0 314.351 4.173 20 30 DIEDRO COc1ccccc1-c1ccc(CN(CCC#N)CC2CC2)cc1 ZINC000093091452 1042358396 /nfs/dbraw/zinc/35/83/96/1042358396.db2.gz FNPHXYIZYPTBLU-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001167903348 1042366755 /nfs/dbraw/zinc/36/67/55/1042366755.db2.gz DOSTWWBEQRGUSF-GOSISDBHSA-N 1 0 300.446 4.228 20 30 DIEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001167903352 1042366767 /nfs/dbraw/zinc/36/67/67/1042366767.db2.gz DOSTWWBEQRGUSF-SFHVURJKSA-N 1 0 300.446 4.228 20 30 DIEDRO C=C1CCC(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000724442787 1042368001 /nfs/dbraw/zinc/36/80/01/1042368001.db2.gz GAWVKAYNLPCKEW-UHFFFAOYSA-N 1 0 324.509 4.358 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000237020107 1042373416 /nfs/dbraw/zinc/37/34/16/1042373416.db2.gz OKRJOXREXAAPAS-PXNSSMCTSA-N 1 0 322.452 4.478 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000236897651 1042407452 /nfs/dbraw/zinc/40/74/52/1042407452.db2.gz CLYKIEDHYHQCET-GOSISDBHSA-N 1 0 319.408 4.139 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000573732144 1042412739 /nfs/dbraw/zinc/41/27/39/1042412739.db2.gz ICTJRFBFCPUOIP-IIBYNOLFSA-N 1 0 318.420 4.089 20 30 DIEDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(C)(C)C#N)cc2)on1 ZINC000614160729 1042418059 /nfs/dbraw/zinc/41/80/59/1042418059.db2.gz CAGDVEWTEFMWCL-QGZVFWFLSA-N 1 0 309.413 4.121 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1(Cc2ccccc2)CC1 ZINC000614159565 1042418145 /nfs/dbraw/zinc/41/81/45/1042418145.db2.gz HTUAOIXQGDNBAX-FQEVSTJZSA-N 1 0 302.421 4.301 20 30 DIEDRO COc1cccc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614160397 1042418355 /nfs/dbraw/zinc/41/83/55/1042418355.db2.gz YWYKIESWHLHXMP-UHFFFAOYSA-N 1 0 308.425 4.128 20 30 DIEDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(C)(C)C#N)cc2)on1 ZINC000614160728 1042418368 /nfs/dbraw/zinc/41/83/68/1042418368.db2.gz CAGDVEWTEFMWCL-KRWDZBQOSA-N 1 0 309.413 4.121 20 30 DIEDRO CC(C)[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCS1 ZINC000614168617 1042420879 /nfs/dbraw/zinc/42/08/79/1042420879.db2.gz MGOBUUNZNNKVHS-QGZVFWFLSA-N 1 0 302.487 4.061 20 30 DIEDRO CC(C)(C)OC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614171597 1042421429 /nfs/dbraw/zinc/42/14/29/1042421429.db2.gz SIVYMLWOOACQFK-UHFFFAOYSA-N 1 0 314.473 4.267 20 30 DIEDRO CN(C)c1cccc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614176091 1042422210 /nfs/dbraw/zinc/42/22/10/1042422210.db2.gz BDPOLLAGBBZNIM-UHFFFAOYSA-N 1 0 321.468 4.186 20 30 DIEDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614175841 1042422271 /nfs/dbraw/zinc/42/22/71/1042422271.db2.gz BAYUFDKXBWCWME-HNNXBMFYSA-N 1 0 304.503 4.451 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1c(C)noc1C ZINC000614185055 1042424837 /nfs/dbraw/zinc/42/48/37/1042424837.db2.gz JTHSSVFQEXNINV-KRWDZBQOSA-N 1 0 311.429 4.334 20 30 DIEDRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000614184946 1042424924 /nfs/dbraw/zinc/42/49/24/1042424924.db2.gz DMKHWKMDBMNDNK-HNNXBMFYSA-N 1 0 310.445 4.116 20 30 DIEDRO COCC[C@H]1CCCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614186108 1042425508 /nfs/dbraw/zinc/42/55/08/1042425508.db2.gz WGDNTIUYPFNSSZ-QGZVFWFLSA-N 1 0 314.473 4.126 20 30 DIEDRO N#CC1(CC[N@@H+]2CCC[C@H](c3nccs3)C2)CCCCC1 ZINC000411207825 1042431155 /nfs/dbraw/zinc/43/11/55/1042431155.db2.gz JDLPVEICJAXLFR-HNNXBMFYSA-N 1 0 303.475 4.187 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419280653 1042459879 /nfs/dbraw/zinc/45/98/79/1042459879.db2.gz AGNZYVXIBMJBAS-INIZCTEOSA-N 1 0 306.400 4.302 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237031731 1042467234 /nfs/dbraw/zinc/46/72/34/1042467234.db2.gz GMANXEOCHCUUFF-LPHOPBHVSA-N 1 0 308.425 4.088 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000614396079 1042489790 /nfs/dbraw/zinc/48/97/90/1042489790.db2.gz VBHVZBQQAHTGNE-UHFFFAOYSA-N 1 0 306.384 4.295 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000614397600 1042489804 /nfs/dbraw/zinc/48/98/04/1042489804.db2.gz HVKUAHCNOIXSNU-UHFFFAOYSA-N 1 0 323.396 4.186 20 30 DIEDRO COc1cccc(C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)c1 ZINC000614396733 1042489912 /nfs/dbraw/zinc/48/99/12/1042489912.db2.gz JYHYHVDJWLFNFK-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000614397565 1042491007 /nfs/dbraw/zinc/49/10/07/1042491007.db2.gz FIUXHTBOCZNFLY-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)[C@H](C)CO1 ZINC000614402250 1042492112 /nfs/dbraw/zinc/49/21/12/1042492112.db2.gz OHKICWLYEWOUBT-UTKZUKDTSA-N 1 0 320.436 4.137 20 30 DIEDRO N#CCOc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000729267028 1042517173 /nfs/dbraw/zinc/51/71/73/1042517173.db2.gz VEURWAQETZPGJN-UHFFFAOYSA-N 1 0 320.436 4.044 20 30 DIEDRO CCc1ccc([C@H]2CCC[N@H+](CCCSCC#N)C2)cc1 ZINC000513392822 1042537118 /nfs/dbraw/zinc/53/71/18/1042537118.db2.gz YHZNCRWLCIUESE-SFHVURJKSA-N 1 0 302.487 4.075 20 30 DIEDRO C=C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000513461452 1042544097 /nfs/dbraw/zinc/54/40/97/1042544097.db2.gz MUNJKJFJNOXRDJ-UHFFFAOYSA-N 1 0 318.420 4.289 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)c1ccco1 ZINC000513672070 1042558662 /nfs/dbraw/zinc/55/86/62/1042558662.db2.gz IMRWEKGLPPOMQT-QGZVFWFLSA-N 1 0 309.413 4.235 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)CCc1c(F)cccc1F ZINC001307445162 1042573348 /nfs/dbraw/zinc/57/33/48/1042573348.db2.gz VBIPOYWOHXCFEF-UHFFFAOYSA-N 1 0 301.380 4.238 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618805269 1042610094 /nfs/dbraw/zinc/61/00/94/1042610094.db2.gz FPZTYYWMJHBGTJ-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@@H](CC#N)N(C)Cc1cccc(OCCCc2ccccc2)c1 ZINC000513729128 1042613107 /nfs/dbraw/zinc/61/31/07/1042613107.db2.gz NIXYCVYLZIGGPD-SFHVURJKSA-N 1 0 322.452 4.432 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000319677229 1042626491 /nfs/dbraw/zinc/62/64/91/1042626491.db2.gz ABSLKZGAXSDQLZ-HUUCEWRRSA-N 1 0 310.397 4.009 20 30 DIEDRO CC(C)[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1ccsc1 ZINC000421368037 1042632358 /nfs/dbraw/zinc/63/23/58/1042632358.db2.gz FSBHCOKOGJOELV-AWEZNQCLSA-N 1 0 324.453 4.239 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000183610424 1042645723 /nfs/dbraw/zinc/64/57/23/1042645723.db2.gz SHJZXJHSDBSVIY-AWEZNQCLSA-N 1 0 320.392 4.472 20 30 DIEDRO COc1ccc([C@H]([NH2+]CC2CCC(C#N)CC2)C(C)C)c(F)c1 ZINC000421852699 1042657002 /nfs/dbraw/zinc/65/70/02/1042657002.db2.gz IMIBLZQFVMOJIO-JFIBYHEFSA-N 1 0 318.436 4.451 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(C#N)s1 ZINC000421883306 1042660753 /nfs/dbraw/zinc/66/07/53/1042660753.db2.gz QGFGSRQDFJXCKX-SNVBAGLBSA-N 1 0 308.809 4.133 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(C#N)cc1 ZINC000421892672 1042661401 /nfs/dbraw/zinc/66/14/01/1042661401.db2.gz WORJCZPWIGNLFR-IAGOWNOFSA-N 1 0 300.471 4.132 20 30 DIEDRO COCCC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000421869099 1042661421 /nfs/dbraw/zinc/66/14/21/1042661421.db2.gz DMDIDNXZOUWTIF-KRWDZBQOSA-N 1 0 318.417 4.016 20 30 DIEDRO CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000423244282 1042701789 /nfs/dbraw/zinc/70/17/89/1042701789.db2.gz NSNFXJXNRYFZBL-FOIQADDNSA-N 1 0 307.441 4.032 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(C#N)cc1 ZINC000423352411 1042707753 /nfs/dbraw/zinc/70/77/53/1042707753.db2.gz KNISCUCNWGNGSR-WOJBJXKFSA-N 1 0 305.425 4.259 20 30 DIEDRO C=CCCCCCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711427054 1042719118 /nfs/dbraw/zinc/71/91/18/1042719118.db2.gz WUEYFHBYSKYMPV-IYBDPMFKSA-N 1 0 310.482 4.016 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000424177505 1042727335 /nfs/dbraw/zinc/72/73/35/1042727335.db2.gz UFKDBJDFGVRQTQ-YOEHRIQHSA-N 1 0 317.429 4.235 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000424204361 1042729141 /nfs/dbraw/zinc/72/91/41/1042729141.db2.gz VNUYGGIKRCXBKC-MJGOQNOKSA-N 1 0 306.409 4.047 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000424290306 1042731224 /nfs/dbraw/zinc/73/12/24/1042731224.db2.gz BKDFQCALSMPAHO-FZCLSBEQSA-N 1 0 305.849 4.157 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000424318642 1042733681 /nfs/dbraw/zinc/73/36/81/1042733681.db2.gz DDKZYGZECQXLLK-IUIKQTSFSA-N 1 0 308.347 4.438 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000424331733 1042734451 /nfs/dbraw/zinc/73/44/51/1042734451.db2.gz SHVOYKQOSUNZFK-SGIREYDYSA-N 1 0 319.246 4.108 20 30 DIEDRO CO[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513969740 1042765426 /nfs/dbraw/zinc/76/54/26/1042765426.db2.gz CAILUXGAFVORNA-SFHVURJKSA-N 1 0 314.816 4.031 20 30 DIEDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000425338996 1042794435 /nfs/dbraw/zinc/79/44/35/1042794435.db2.gz BXIJQNSRNDELNQ-RBUKOAKNSA-N 1 0 308.450 4.209 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000425346628 1042795398 /nfs/dbraw/zinc/79/53/98/1042795398.db2.gz BXLPQFKMDTUJGM-GOEBONIOSA-N 1 0 310.363 4.310 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000515679048 1042831480 /nfs/dbraw/zinc/83/14/80/1042831480.db2.gz FFHLNYJTLBCUQJ-SNVBAGLBSA-N 1 0 315.230 4.236 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000425533835 1042837318 /nfs/dbraw/zinc/83/73/18/1042837318.db2.gz LJOPONDZDQCRNA-OAHLLOKOSA-N 1 0 324.399 4.353 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCCC(=O)OC(C)(C)C ZINC000425529591 1042837529 /nfs/dbraw/zinc/83/75/29/1042837529.db2.gz CCKDLLMCBKRJIB-HNNXBMFYSA-N 1 0 316.445 4.063 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1OC1CC1 ZINC000425535631 1042838245 /nfs/dbraw/zinc/83/82/45/1042838245.db2.gz NQWRGOBELKLWPT-HNNXBMFYSA-N 1 0 306.409 4.292 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cncc(C(F)(F)F)c1 ZINC000425540182 1042839012 /nfs/dbraw/zinc/83/90/12/1042839012.db2.gz VCRXLIXPKXZIDH-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccccc1 ZINC000516956127 1042860884 /nfs/dbraw/zinc/86/08/84/1042860884.db2.gz ZAGJEMIEXXTKLR-LJQANCHMSA-N 1 0 305.425 4.095 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001270238376 1042864817 /nfs/dbraw/zinc/86/48/17/1042864817.db2.gz SQAAMSIVIINNQB-LJQANCHMSA-N 1 0 308.510 4.071 20 30 DIEDRO N#Cc1ccc(CN2CC3(CCCC3)[C@@H]2c2ccccc2)nc1 ZINC000517244086 1042872934 /nfs/dbraw/zinc/87/29/34/1042872934.db2.gz BUUDSWMNFZVPHW-IBGZPJMESA-N 1 0 303.409 4.071 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000517709527 1042893226 /nfs/dbraw/zinc/89/32/26/1042893226.db2.gz NGQKVOXVSQOKIY-UHFFFAOYSA-N 1 0 324.399 4.177 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnc2onc(C)c2c1)c1ccccc1 ZINC000894358115 1042901177 /nfs/dbraw/zinc/90/11/77/1042901177.db2.gz DRUBIJZUYUEQGJ-GOSISDBHSA-N 1 0 307.397 4.328 20 30 DIEDRO CN(Cc1cc(Cl)cc(Cl)c1)Cc1ccccc1C#N ZINC000048579516 1042915794 /nfs/dbraw/zinc/91/57/94/1042915794.db2.gz JYCXNAISSNCQOE-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000894515829 1042964793 /nfs/dbraw/zinc/96/47/93/1042964793.db2.gz ZXVRQIGFXZMVTK-UHFFFAOYSA-N 1 0 314.351 4.047 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000519554646 1042965490 /nfs/dbraw/zinc/96/54/90/1042965490.db2.gz QPTKUQBIZHMKKB-FAFZWHIHSA-N 1 0 310.441 4.171 20 30 DIEDRO C[N@H+](Cc1csc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000894569489 1042969165 /nfs/dbraw/zinc/96/91/65/1042969165.db2.gz WWQZEYKEYBOBDD-OLZOCXBDSA-N 1 0 302.365 4.173 20 30 DIEDRO C=CC[N@@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)C(C)C ZINC000729473782 1042984702 /nfs/dbraw/zinc/98/47/02/1042984702.db2.gz QZAHQDRPYLGDBS-UHFFFAOYSA-N 1 0 317.408 4.013 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000151382798 1042990208 /nfs/dbraw/zinc/99/02/08/1042990208.db2.gz FUMVLCKDCYQVSC-ZIAGYGMSSA-N 1 0 321.449 4.450 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000519649761 1042997437 /nfs/dbraw/zinc/99/74/37/1042997437.db2.gz KAXBVIWJTFHSAR-UHFFFAOYSA-N 1 0 320.908 4.496 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)Oc1ccccc1F ZINC000519861239 1043006750 /nfs/dbraw/zinc/00/67/50/1043006750.db2.gz WMEPKZPVLQONRA-QFBILLFUSA-N 1 0 324.399 4.132 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441207564 1043028610 /nfs/dbraw/zinc/02/86/10/1043028610.db2.gz NDYSRTONGPTELB-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]CC#Cc1ccccc1Cl)C(C)C ZINC000441268442 1043032916 /nfs/dbraw/zinc/03/29/16/1043032916.db2.gz KZPBEKXBQCMCHZ-GOSISDBHSA-N 1 0 312.844 4.382 20 30 DIEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)c(OC(F)F)cc1C ZINC000441384050 1043043234 /nfs/dbraw/zinc/04/32/34/1043043234.db2.gz LQIBVYHRDYLODO-UHFFFAOYSA-N 1 0 322.399 4.324 20 30 DIEDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000173857657 1043054238 /nfs/dbraw/zinc/05/42/38/1043054238.db2.gz FUZHGTHWKMQHGP-OAHLLOKOSA-N 1 0 321.424 4.004 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(C#N)cc1 ZINC000173951231 1043057331 /nfs/dbraw/zinc/05/73/31/1043057331.db2.gz BWVUMLRSCFYPRT-HNNXBMFYSA-N 1 0 321.424 4.125 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000174400520 1043065404 /nfs/dbraw/zinc/06/54/04/1043065404.db2.gz OOEFHZGXRWZXTM-UHFFFAOYSA-N 1 0 300.789 4.364 20 30 DIEDRO CCC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H](O)c1ccccc1 ZINC000794831833 1043067481 /nfs/dbraw/zinc/06/74/81/1043067481.db2.gz RCEUBTZGBLMCEH-YSSFQJQWSA-N 1 0 308.425 4.111 20 30 DIEDRO C[C@@H]([NH2+]CCOCCC#N)c1ccc(Oc2ccccc2)cc1 ZINC000339071509 1043070371 /nfs/dbraw/zinc/07/03/71/1043070371.db2.gz RFVFFMBXSDGNDT-MRXNPFEDSA-N 1 0 310.397 4.060 20 30 DIEDRO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1c(C)noc1C ZINC000328869324 1043081090 /nfs/dbraw/zinc/08/10/90/1043081090.db2.gz PCENDFMQAVPPPF-HOTGVXAUSA-N 1 0 319.449 4.106 20 30 DIEDRO CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1c(C)noc1C ZINC000328869325 1043081195 /nfs/dbraw/zinc/08/11/95/1043081195.db2.gz PCENDFMQAVPPPF-JKSUJKDBSA-N 1 0 319.449 4.106 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccnc2F)cc1 ZINC000794836473 1043082730 /nfs/dbraw/zinc/08/27/30/1043082730.db2.gz POMILWRWBKYUDA-CYBMUJFWSA-N 1 0 320.795 4.203 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](c2ncccc2C)C(C)C)cc1 ZINC000120517661 1043085293 /nfs/dbraw/zinc/08/52/93/1043085293.db2.gz DGSMSHFZTWMAFD-YLJYHZDGSA-N 1 0 322.452 4.450 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000865454344 1043099628 /nfs/dbraw/zinc/09/96/28/1043099628.db2.gz ZUWJVBQYWKFXMC-UHFFFAOYSA-N 1 0 312.388 4.164 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cc(F)cc(OCC)c1)c1ccncc1 ZINC000865465203 1043101449 /nfs/dbraw/zinc/10/14/49/1043101449.db2.gz VMBSPNWTNVUYIA-GOSISDBHSA-N 1 0 300.377 4.026 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)c1cccc(Cl)c1F ZINC000184528237 1043103354 /nfs/dbraw/zinc/10/33/54/1043103354.db2.gz LIHNOVZEHMKWRC-UHFFFAOYSA-N 1 0 306.768 4.011 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000126517843 1043118406 /nfs/dbraw/zinc/11/84/06/1043118406.db2.gz HGMMVSQCKVYRLW-LLVKDONJSA-N 1 0 300.265 4.358 20 30 DIEDRO C=C[C@](C)(CC)C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000188954165 1043132591 /nfs/dbraw/zinc/13/25/91/1043132591.db2.gz LGOMWIVDUZCMJM-LJQANCHMSA-N 1 0 300.446 4.199 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CC=CC[C@H]3C(F)(F)F)cc2)CC1 ZINC000865830934 1043137718 /nfs/dbraw/zinc/13/77/18/1043137718.db2.gz WIXZUSWVEMOOPT-HZPDHXFCSA-N 1 0 320.358 4.228 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000120800132 1043144341 /nfs/dbraw/zinc/14/43/41/1043144341.db2.gz AELFXOFUVNFIOC-LSDHHAIUSA-N 1 0 312.388 4.448 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](c2ccccn2)C(C)C)c1 ZINC000866296341 1043175755 /nfs/dbraw/zinc/17/57/55/1043175755.db2.gz BABPFSARESOFQF-YLJYHZDGSA-N 1 0 323.440 4.249 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000487391073 1043179656 /nfs/dbraw/zinc/17/96/56/1043179656.db2.gz FFLFTPNFEGZENL-GOSISDBHSA-N 1 0 304.437 4.477 20 30 DIEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+]CC1CCC(C#N)CC1 ZINC000866353023 1043186389 /nfs/dbraw/zinc/18/63/89/1043186389.db2.gz NHPCSFNXZCHPEH-AOCRQIFASA-N 1 0 321.468 4.475 20 30 DIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000184698595 1043188134 /nfs/dbraw/zinc/18/81/34/1043188134.db2.gz RXMYFLXPHRRMPT-NVXWUHKLSA-N 1 0 324.428 4.057 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc2c(ccnc2Cl)o1 ZINC000866362646 1043189450 /nfs/dbraw/zinc/18/94/50/1043189450.db2.gz CRXOBDUQOHBXLM-WOPDTQHZSA-N 1 0 303.793 4.214 20 30 DIEDRO CC(C)(CC#N)C[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000866373085 1043193157 /nfs/dbraw/zinc/19/31/57/1043193157.db2.gz VGXSSNWSVRMFQM-IBGZPJMESA-N 1 0 307.441 4.285 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)oc1C ZINC000866448276 1043203514 /nfs/dbraw/zinc/20/35/14/1043203514.db2.gz CPGIEWJGMTXSKO-HNNXBMFYSA-N 1 0 323.440 4.088 20 30 DIEDRO C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000866450420 1043203912 /nfs/dbraw/zinc/20/39/12/1043203912.db2.gz GZBVHYDHFXTBEU-IGEOTXOUSA-N 1 0 318.436 4.474 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1noc2ccc(F)cc21 ZINC000866512379 1043215908 /nfs/dbraw/zinc/21/59/08/1043215908.db2.gz ZIKFBHFSZLQHIJ-QGZVFWFLSA-N 1 0 321.355 4.006 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)o1)c1ccc(OCC#N)cc1 ZINC000866574323 1043226779 /nfs/dbraw/zinc/22/67/79/1043226779.db2.gz RMRWFROAENGWSG-CQSZACIVSA-N 1 0 312.413 4.330 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(C#N)cc1F ZINC000866609695 1043232962 /nfs/dbraw/zinc/23/29/62/1043232962.db2.gz MYUDWPIRPSKLJP-WDBKCZKBSA-N 1 0 312.310 4.245 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3OC)cc1 ZINC000121913018 1043266000 /nfs/dbraw/zinc/26/60/00/1043266000.db2.gz UNKPNSQKTMHBQN-QRWLVFNGSA-N 1 0 321.420 4.045 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000320090887 1043286169 /nfs/dbraw/zinc/28/61/69/1043286169.db2.gz YNICZZGSTLVCBR-UHFFFAOYSA-N 1 0 308.510 4.119 20 30 DIEDRO C#CCN(CC)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000268202447 1043315192 /nfs/dbraw/zinc/31/51/92/1043315192.db2.gz XUCUMMYDPJUXFP-JTQLQIEISA-N 1 0 324.211 4.060 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccccc1 ZINC000268799970 1043331439 /nfs/dbraw/zinc/33/14/39/1043331439.db2.gz GAKRGKZKNWRGAS-HNNXBMFYSA-N 1 0 324.424 4.018 20 30 DIEDRO CCCCOc1ccc([C@@H](C)[NH2+]CCCCC#N)cc1OC ZINC000268826877 1043335337 /nfs/dbraw/zinc/33/53/37/1043335337.db2.gz BGLJVWXXXSNXQI-OAHLLOKOSA-N 1 0 304.434 4.219 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000268905333 1043342698 /nfs/dbraw/zinc/34/26/98/1043342698.db2.gz GRYNBHZOCQUQGV-VLIAUNLRSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1Cl ZINC000268966651 1043347635 /nfs/dbraw/zinc/34/76/35/1043347635.db2.gz KZQJXIXDTGUYPA-OAHLLOKOSA-N 1 0 321.848 4.096 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCOC1 ZINC001202530716 1043347910 /nfs/dbraw/zinc/34/79/10/1043347910.db2.gz UMCXVJVPNZUFCF-XLIONFOSSA-N 1 0 320.436 4.158 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c(F)c1 ZINC000339108033 1043353528 /nfs/dbraw/zinc/35/35/28/1043353528.db2.gz UCSNCZACVXYJAQ-LJQANCHMSA-N 1 0 309.388 4.210 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1sc(CCOC)nc1C)c1ccccc1 ZINC000271287931 1043410049 /nfs/dbraw/zinc/41/00/49/1043410049.db2.gz DMFJUVBFLKXWCN-AWEZNQCLSA-N 1 0 316.470 4.004 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3cccc(C)c32)c1 ZINC000925418497 1043416173 /nfs/dbraw/zinc/41/61/73/1043416173.db2.gz KFYXSXIURDCLLU-AZUAARDMSA-N 1 0 320.436 4.453 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000442780771 1043417423 /nfs/dbraw/zinc/41/74/23/1043417423.db2.gz LOFXLEUAJJFTKH-WMLDXEAASA-N 1 0 302.849 4.434 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](COc2ccccc2F)c2ccccc2)C1 ZINC000442783783 1043418875 /nfs/dbraw/zinc/41/88/75/1043418875.db2.gz NZDAXOZTOXUCRB-SUMDDJOVSA-N 1 0 324.399 4.228 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](COc2ccccc2F)c2ccccc2)C1 ZINC000442783779 1043419219 /nfs/dbraw/zinc/41/92/19/1043419219.db2.gz NZDAXOZTOXUCRB-AYBZRNKSSA-N 1 0 324.399 4.228 20 30 DIEDRO C[C@H](CC[NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442787185 1043420730 /nfs/dbraw/zinc/42/07/30/1043420730.db2.gz AFDSXSQFOMOEHZ-WWGRRREGSA-N 1 0 310.363 4.481 20 30 DIEDRO C[C@H](CC[NH2+][C@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442787182 1043422284 /nfs/dbraw/zinc/42/22/84/1043422284.db2.gz AFDSXSQFOMOEHZ-IOASZLSFSA-N 1 0 310.363 4.481 20 30 DIEDRO Cc1ccncc1[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000271538339 1043433354 /nfs/dbraw/zinc/43/33/54/1043433354.db2.gz TWUDGCNGTOELQB-AWEZNQCLSA-N 1 0 318.342 4.111 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000442867810 1043438707 /nfs/dbraw/zinc/43/87/07/1043438707.db2.gz ZKHVINKYHFLNKD-IUODEOHRSA-N 1 0 319.246 4.110 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccnn1CC1CCC1)c1ccccc1 ZINC000925638236 1043442458 /nfs/dbraw/zinc/44/24/58/1043442458.db2.gz YXWMJDWISXXTLU-LPHOPBHVSA-N 1 0 307.441 4.098 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1ccccc1 ZINC000925637904 1043442646 /nfs/dbraw/zinc/44/26/46/1043442646.db2.gz UQEXLWIEULFKBB-QZTJIDSGSA-N 1 0 310.828 4.467 20 30 DIEDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000558117308 1043442745 /nfs/dbraw/zinc/44/27/45/1043442745.db2.gz PJGIYCXRWBQFEI-KXBFYZLASA-N 1 0 310.828 4.170 20 30 DIEDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000872070727 1043447339 /nfs/dbraw/zinc/44/73/39/1043447339.db2.gz HQQOQNPOJUUQJO-GFCCVEGCSA-N 1 0 321.446 4.297 20 30 DIEDRO C=C(C)CC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872076282 1043451526 /nfs/dbraw/zinc/45/15/26/1043451526.db2.gz YSUJPLHSVUQNAP-GOEBONIOSA-N 1 0 324.262 4.083 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(O)c1F ZINC000872079821 1043452218 /nfs/dbraw/zinc/45/22/18/1043452218.db2.gz LBWVECLVOIJWJY-YVEFUNNKSA-N 1 0 310.372 4.131 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(O)ccc1F ZINC000872081587 1043453556 /nfs/dbraw/zinc/45/35/56/1043453556.db2.gz ZSRGBXRLVXWDHD-HXPMCKFVSA-N 1 0 310.372 4.131 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000348687295 1043463274 /nfs/dbraw/zinc/46/32/74/1043463274.db2.gz UBTCVHGMYAUDRB-KUHUBIRLSA-N 1 0 321.424 4.080 20 30 DIEDRO COc1cc(C[N@H+](C)C/C(C)=C\c2ccccc2)ccc1C#N ZINC000443066919 1043474541 /nfs/dbraw/zinc/47/45/41/1043474541.db2.gz IRMUAFRLHVGEII-WJDWOHSUSA-N 1 0 306.409 4.102 20 30 DIEDRO COCC(C)(C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000558258968 1043476496 /nfs/dbraw/zinc/47/64/96/1043476496.db2.gz SGKDQCPXFUJOLL-ZDUSSCGKSA-N 1 0 308.853 4.315 20 30 DIEDRO N#CCCc1ccc(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000925823280 1043477722 /nfs/dbraw/zinc/47/77/22/1043477722.db2.gz QJIRLHYQZTUTSJ-WOJBJXKFSA-N 1 0 305.425 4.048 20 30 DIEDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000443213153 1043509713 /nfs/dbraw/zinc/50/97/13/1043509713.db2.gz GJHFWQRFSXQONE-FVJLSDCUSA-N 1 0 321.468 4.209 20 30 DIEDRO Cc1sc(C[NH2+]CC(C)(C)CCC#N)cc1Br ZINC000873126532 1043516703 /nfs/dbraw/zinc/51/67/03/1043516703.db2.gz IKVGPEPYWNJSMU-UHFFFAOYSA-N 1 0 315.280 4.239 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000926064476 1043517425 /nfs/dbraw/zinc/51/74/25/1043517425.db2.gz YBPAVHSBBVXSTQ-ZDUSSCGKSA-N 1 0 323.868 4.021 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000873162599 1043521169 /nfs/dbraw/zinc/52/11/69/1043521169.db2.gz FXIQSJWZVCEHQV-UHFFFAOYSA-N 1 0 300.427 4.087 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc3c(s1)CCCC3)CC2 ZINC000558499232 1043521833 /nfs/dbraw/zinc/52/18/33/1043521833.db2.gz RDRXGEMYBQZMRI-SFHVURJKSA-N 1 0 308.450 4.276 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(O)c(Cl)c2)cc1 ZINC000873180104 1043523360 /nfs/dbraw/zinc/52/33/60/1043523360.db2.gz WIFYHDRIRIEDBM-UHFFFAOYSA-N 1 0 314.816 4.137 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001204983387 1043524406 /nfs/dbraw/zinc/52/44/06/1043524406.db2.gz ACXOXIGHAHSSGE-KGLIPLIRSA-N 1 0 310.844 4.392 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC3(CCCCC3)O1)CC2 ZINC000558508116 1043525740 /nfs/dbraw/zinc/52/57/40/1043525740.db2.gz AYXOKEYIDUIOLD-PKOBYXMFSA-N 1 0 310.441 4.017 20 30 DIEDRO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000522039921 1043528428 /nfs/dbraw/zinc/52/84/28/1043528428.db2.gz VXENHGBJWGTOJZ-BTYIYWSLSA-N 1 0 320.436 4.023 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1-c1ccccc1 ZINC000522057101 1043530149 /nfs/dbraw/zinc/53/01/49/1043530149.db2.gz KUMYITUUJGPCAL-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO COc1ccccc1[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)OC(C)C ZINC000926201557 1043544640 /nfs/dbraw/zinc/54/46/40/1043544640.db2.gz HFIFCGLRDNZUSW-QAPCUYQASA-N 1 0 318.461 4.079 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc4c3NCCC4)CCC2)cc1 ZINC000895190154 1043555380 /nfs/dbraw/zinc/55/53/80/1043555380.db2.gz YXCZFXUGVQLEJT-UHFFFAOYSA-N 1 0 317.436 4.085 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000124700126 1043561466 /nfs/dbraw/zinc/56/14/66/1043561466.db2.gz FVPMYPGLWIYNGH-IERDGZPVSA-N 1 0 320.436 4.088 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000124700372 1043561835 /nfs/dbraw/zinc/56/18/35/1043561835.db2.gz FVPMYPGLWIYNGH-HRAATJIYSA-N 1 0 320.436 4.088 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C(C)(C)O)cc1 ZINC000926314690 1043562553 /nfs/dbraw/zinc/56/25/53/1043562553.db2.gz HLMOMTHSIAIUBB-VLIAUNLRSA-N 1 0 320.436 4.124 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(C)cc1)c1cccnc1 ZINC000926342288 1043565381 /nfs/dbraw/zinc/56/53/81/1043565381.db2.gz JOEUGIHCZAALII-NJYVYQBISA-N 1 0 322.452 4.050 20 30 DIEDRO CCCN(Cc1ccc(C2(C#N)CC2)cc1)c1ccc(C[NH3+])cc1 ZINC000825710740 1043566268 /nfs/dbraw/zinc/56/62/68/1043566268.db2.gz ZMAHWVBTJIQAIR-UHFFFAOYSA-N 1 0 319.452 4.117 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000926355383 1043569900 /nfs/dbraw/zinc/56/99/00/1043569900.db2.gz GBAKVXVLMMCKJC-ZUEPYMLJSA-N 1 0 303.837 4.032 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+](C[C@@H](CC)CCCC)CC2)C1=O ZINC001275081729 1043572112 /nfs/dbraw/zinc/57/21/12/1043572112.db2.gz IGBHEPXMJZQAMA-AZUAARDMSA-N 1 0 320.521 4.093 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@]2(CCN([C@H](C)CC)C2=O)C1 ZINC001275114106 1043575902 /nfs/dbraw/zinc/57/59/02/1043575902.db2.gz JRIUESDYBXIECC-MJGOQNOKSA-N 1 0 308.510 4.070 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(Cl)cc1 ZINC000124957460 1043576191 /nfs/dbraw/zinc/57/61/91/1043576191.db2.gz BHBSEVVTVODLSK-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1(Br)CC1 ZINC000926479243 1043581946 /nfs/dbraw/zinc/58/19/46/1043581946.db2.gz ITFGSFUZRGNCDR-DZGCQCFKSA-N 1 0 321.262 4.327 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(C#N)cc1OC ZINC000190492042 1043582084 /nfs/dbraw/zinc/58/20/84/1043582084.db2.gz LKKDTGXVLRJHJO-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO CC1(C)CC2(CC([NH2+][C@H](CCCC#N)c3ccccc3)C2)CO1 ZINC000926479344 1043583063 /nfs/dbraw/zinc/58/30/63/1043583063.db2.gz JOEJMKRQYYNZKG-QPIRBTGLSA-N 1 0 312.457 4.359 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc(O)cc(F)c1 ZINC000926603011 1043606372 /nfs/dbraw/zinc/60/63/72/1043606372.db2.gz QRSZPMQQFASCAO-BUXKBTBVSA-N 1 0 310.372 4.131 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccnn1C1CCC1 ZINC000926603079 1043606639 /nfs/dbraw/zinc/60/66/39/1043606639.db2.gz SJYJCZCAFBVGOJ-LIRRHRJNSA-N 1 0 320.440 4.208 20 30 DIEDRO CC1(C)CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000353441155 1043608661 /nfs/dbraw/zinc/60/86/61/1043608661.db2.gz LSFHFFDMADDBQO-UHFFFAOYSA-N 1 0 322.456 4.086 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccco1 ZINC000353440567 1043609142 /nfs/dbraw/zinc/60/91/42/1043609142.db2.gz LHNGTCZLBJVXGW-GOSISDBHSA-N 1 0 307.397 4.262 20 30 DIEDRO C=CCOCCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000926701559 1043618163 /nfs/dbraw/zinc/61/81/63/1043618163.db2.gz AKGGIQKXPLBXQS-GOSISDBHSA-N 1 0 316.832 4.007 20 30 DIEDRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1(CC#N)CC1 ZINC000430755678 1043620549 /nfs/dbraw/zinc/62/05/49/1043620549.db2.gz RDXSCULHETUEAG-CQSZACIVSA-N 1 0 308.878 4.494 20 30 DIEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000353590826 1043621178 /nfs/dbraw/zinc/62/11/78/1043621178.db2.gz VNACUJQHAVQWPB-CQSZACIVSA-N 1 0 312.335 4.320 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3ccc(F)cc31)CC2 ZINC000353583272 1043621319 /nfs/dbraw/zinc/62/13/19/1043621319.db2.gz XMDVORXWRIMXKV-WOJBJXKFSA-N 1 0 306.384 4.352 20 30 DIEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000353590824 1043621363 /nfs/dbraw/zinc/62/13/63/1043621363.db2.gz VNACUJQHAVQWPB-AWEZNQCLSA-N 1 0 312.335 4.320 20 30 DIEDRO CC[N@H+](CCOc1cccc(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000443619374 1043623463 /nfs/dbraw/zinc/62/34/63/1043623463.db2.gz GWUPTPFAPJAONY-INIZCTEOSA-N 1 0 324.424 4.029 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000125408420 1043624576 /nfs/dbraw/zinc/62/45/76/1043624576.db2.gz URUREHZPPWPEPH-KRWDZBQOSA-N 1 0 320.436 4.357 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(F)cc1F ZINC000353634016 1043626990 /nfs/dbraw/zinc/62/69/90/1043626990.db2.gz YVCHSKBVMSBCJL-QGZVFWFLSA-N 1 0 316.351 4.086 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOc3cc(F)ccc31)CC2 ZINC000353682571 1043632448 /nfs/dbraw/zinc/63/24/48/1043632448.db2.gz XTTWORJLNHXCQQ-OALUTQOASA-N 1 0 322.383 4.188 20 30 DIEDRO CC[C@]1(C)CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000353686640 1043634772 /nfs/dbraw/zinc/63/47/72/1043634772.db2.gz KVWCCUOQJGXVGP-LJQANCHMSA-N 1 0 300.446 4.381 20 30 DIEDRO CC[N@H+](Cc1ccc(OC(C)=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125623985 1043641652 /nfs/dbraw/zinc/64/16/52/1043641652.db2.gz DFDRLLGXOOSYPA-HNNXBMFYSA-N 1 0 322.408 4.067 20 30 DIEDRO Cc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c2c(n1)CCCC2 ZINC000895330901 1043641997 /nfs/dbraw/zinc/64/19/97/1043641997.db2.gz YGWFHDLWTHLFNX-UHFFFAOYSA-N 1 0 319.452 4.165 20 30 DIEDRO CC(C)Cc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cn1 ZINC000895330692 1043642016 /nfs/dbraw/zinc/64/20/16/1043642016.db2.gz WIAHYPSSYVANFE-UHFFFAOYSA-N 1 0 307.441 4.177 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1OC ZINC000353915259 1043656421 /nfs/dbraw/zinc/65/64/21/1043656421.db2.gz MSEYENZWIMJEPZ-SFHVURJKSA-N 1 0 324.424 4.229 20 30 DIEDRO Cc1ccc2ncc(C[NH2+][C@H](CCCC#N)c3ccccc3)n2c1 ZINC000353915907 1043656463 /nfs/dbraw/zinc/65/64/63/1043656463.db2.gz OHDJKJROHRLHOG-LJQANCHMSA-N 1 0 318.424 4.168 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000353912203 1043657998 /nfs/dbraw/zinc/65/79/98/1043657998.db2.gz FAQGGGJCDFQPLG-GOSISDBHSA-N 1 0 309.369 4.120 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cccc(C#N)c1 ZINC000926972869 1043664666 /nfs/dbraw/zinc/66/46/66/1043664666.db2.gz IQTLHXAMDXQSIU-MORSLUCNSA-N 1 0 312.363 4.258 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1C#N ZINC000926966220 1043664948 /nfs/dbraw/zinc/66/49/48/1043664948.db2.gz IMHORXPIBJLSPA-BLLLJJGKSA-N 1 0 310.372 4.050 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc(C#N)cc1 ZINC000926973309 1043666148 /nfs/dbraw/zinc/66/61/48/1043666148.db2.gz KNIFRKZWXALSOE-MORSLUCNSA-N 1 0 312.363 4.258 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000927037055 1043669808 /nfs/dbraw/zinc/66/98/08/1043669808.db2.gz MHSDJNDPHGEDDT-TZMCWYRMSA-N 1 0 304.434 4.166 20 30 DIEDRO COc1ccc(CCC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000559049076 1043676995 /nfs/dbraw/zinc/67/69/95/1043676995.db2.gz AMYZUOYISWOGAH-RBUKOAKNSA-N 1 0 312.457 4.032 20 30 DIEDRO C=CCC1([NH2+]Cc2cnc(CC(F)(F)F)s2)CCCC1 ZINC000895402290 1043677778 /nfs/dbraw/zinc/67/77/78/1043677778.db2.gz DQHAKKTZKVVXFH-UHFFFAOYSA-N 1 0 304.381 4.226 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccccc1 ZINC000927109557 1043689218 /nfs/dbraw/zinc/68/92/18/1043689218.db2.gz QBIWITYDUOELGZ-LJQANCHMSA-N 1 0 309.457 4.485 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccc(C#N)cc1F ZINC000927115808 1043690745 /nfs/dbraw/zinc/69/07/45/1043690745.db2.gz LZSCKDZWEULAGZ-VBKZILBWSA-N 1 0 324.399 4.052 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2([C@@H]3CCCCO3)CC2)CC1 ZINC000927163359 1043701705 /nfs/dbraw/zinc/70/17/05/1043701705.db2.gz UVODBFAHWURMAW-GPJFCIFZSA-N 1 0 324.468 4.082 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC001141816912 1043705067 /nfs/dbraw/zinc/70/50/67/1043705067.db2.gz PHFBYJFSIUQFMS-UHFFFAOYSA-N 1 0 307.235 4.109 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000895604495 1043713196 /nfs/dbraw/zinc/71/31/96/1043713196.db2.gz JDTBTGNRVKPTBC-NSHDSACASA-N 1 0 321.218 4.225 20 30 DIEDRO Cc1ccc(CCC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000474278130 1043723296 /nfs/dbraw/zinc/72/32/96/1043723296.db2.gz VQOLCRSSJCZIIN-NHCUHLMSSA-N 1 0 319.452 4.094 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)cc1 ZINC000895662486 1043729071 /nfs/dbraw/zinc/72/90/71/1043729071.db2.gz PGGFZUXPKWVQJC-IBGZPJMESA-N 1 0 322.452 4.090 20 30 DIEDRO C#CCC1(O)CC[NH+](Cc2ccccc2-c2ccccc2C)CC1 ZINC000895669913 1043730724 /nfs/dbraw/zinc/73/07/24/1043730724.db2.gz LGVUNVVXEDAWSU-UHFFFAOYSA-N 1 0 319.448 4.012 20 30 DIEDRO CCC(C#N)(CC)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168032506 1043732318 /nfs/dbraw/zinc/73/23/18/1043732318.db2.gz HCKTYMYHQZKEJG-IRXDYDNUSA-N 1 0 313.489 4.100 20 30 DIEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000355090741 1043741894 /nfs/dbraw/zinc/74/18/94/1043741894.db2.gz VFYBEDYPUCQWRT-IKGGRYGDSA-N 1 0 300.446 4.236 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cccc(OC(F)(F)F)c1 ZINC000877093588 1043741771 /nfs/dbraw/zinc/74/17/71/1043741771.db2.gz KBUMNWGCCZHHKI-DCBWTQNWSA-N 1 0 312.335 4.318 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877182654 1043754082 /nfs/dbraw/zinc/75/40/82/1043754082.db2.gz QCBFHOKBHKNOPJ-UHFFFAOYSA-N 1 0 305.834 4.075 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877335572 1043757828 /nfs/dbraw/zinc/75/78/28/1043757828.db2.gz HKNNMZQATOYYRH-OALUTQOASA-N 1 0 303.421 4.219 20 30 DIEDRO C[NH+](C)Cc1ccc(NCc2cccc(OCCCC#N)c2)cc1 ZINC000355320224 1043759828 /nfs/dbraw/zinc/75/98/28/1043759828.db2.gz OUHXPTQLPHRYGL-UHFFFAOYSA-N 1 0 323.440 4.043 20 30 DIEDRO Cc1csc(C[C@@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)n1 ZINC000895822876 1043760840 /nfs/dbraw/zinc/76/08/40/1043760840.db2.gz MWBVOPNFYRMYOM-HNNXBMFYSA-N 1 0 305.491 4.036 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)CCCC1(C)C ZINC000877479633 1043766791 /nfs/dbraw/zinc/76/67/91/1043766791.db2.gz FSTABISZPODBMK-MRXNPFEDSA-N 1 0 300.402 4.100 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000877516073 1043769544 /nfs/dbraw/zinc/76/95/44/1043769544.db2.gz BLQYGGUMBNXNMO-NQIIRXRSSA-N 1 0 322.452 4.162 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000877516074 1043769831 /nfs/dbraw/zinc/76/98/31/1043769831.db2.gz BLQYGGUMBNXNMO-RXVVDRJESA-N 1 0 322.452 4.162 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000877523375 1043770269 /nfs/dbraw/zinc/77/02/69/1043770269.db2.gz JBXXDCJPKZJBLO-QGZVFWFLSA-N 1 0 315.461 4.448 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)CCC2 ZINC000877545608 1043772878 /nfs/dbraw/zinc/77/28/78/1043772878.db2.gz JNWYHKNYYUUUOJ-QGZVFWFLSA-N 1 0 311.816 4.082 20 30 DIEDRO Cc1cccc(C[N@H+](Cc2ccc(OCC#N)cc2)C2CC2)c1C ZINC001137122695 1043777421 /nfs/dbraw/zinc/77/74/21/1043777421.db2.gz NVKQQBHIYVOYSX-UHFFFAOYSA-N 1 0 320.436 4.370 20 30 DIEDRO CC(C)[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000877640272 1043783616 /nfs/dbraw/zinc/78/36/16/1043783616.db2.gz WIRRUBYSSGPVPG-VFBMKALASA-N 1 0 320.864 4.070 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000877759573 1043795637 /nfs/dbraw/zinc/79/56/37/1043795637.db2.gz SEFOMWCCLCQPQG-XKQJLSEDSA-N 1 0 306.837 4.090 20 30 DIEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccc2cc[nH]c2c1 ZINC000877769211 1043796429 /nfs/dbraw/zinc/79/64/29/1043796429.db2.gz ASQZWJGBDWXCIE-UHFFFAOYSA-N 1 0 315.420 4.355 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000877769592 1043797197 /nfs/dbraw/zinc/79/71/97/1043797197.db2.gz LORNVNJBCZNTAO-OAHLLOKOSA-N 1 0 319.408 4.091 20 30 DIEDRO C[N@H+](CCCCC1(C#N)CCC1)Cc1cnn(-c2ccccc2)c1 ZINC000929184904 1043797353 /nfs/dbraw/zinc/79/73/53/1043797353.db2.gz NHTISSSFOPNYFM-UHFFFAOYSA-N 1 0 322.456 4.168 20 30 DIEDRO CCc1ccc([C@H]2CCCCCN2Cc2nc(C#N)cs2)o1 ZINC000356127529 1043813241 /nfs/dbraw/zinc/81/32/41/1043813241.db2.gz WGQVFMWLSRZBIH-OAHLLOKOSA-N 1 0 315.442 4.287 20 30 DIEDRO CC1CCC(OC2CC[NH+](CC3CCC(C#N)CC3)CC2)CC1 ZINC000929602460 1043828325 /nfs/dbraw/zinc/82/83/25/1043828325.db2.gz BLHAMVZPSLTMOX-UHFFFAOYSA-N 1 0 318.505 4.376 20 30 DIEDRO CCc1ccc([C@@H]2COCCN2CCCCC2(C#N)CCC2)o1 ZINC000929676638 1043832688 /nfs/dbraw/zinc/83/26/88/1043832688.db2.gz UMGFGVJDMKGTAH-KRWDZBQOSA-N 1 0 316.445 4.079 20 30 DIEDRO N#Cc1ccc(CN2CCCc3occc3C2)c(C(F)(F)F)c1 ZINC000356331571 1043833829 /nfs/dbraw/zinc/83/38/29/1043833829.db2.gz FABSUOKJQJRFRP-UHFFFAOYSA-N 1 0 320.314 4.118 20 30 DIEDRO Cc1ccccc1[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000929709750 1043836866 /nfs/dbraw/zinc/83/68/66/1043836866.db2.gz VBVRPBKBXHQPHE-IBGZPJMESA-N 1 0 312.457 4.233 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CC2CCC(C#N)CC2)s1 ZINC000929702993 1043836918 /nfs/dbraw/zinc/83/69/18/1043836918.db2.gz NGEQLVSOEGLFHQ-WLYUNCDWSA-N 1 0 305.491 4.337 20 30 DIEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC2(CCCC2)CC1)c1ccccc1 ZINC000878120937 1043848021 /nfs/dbraw/zinc/84/80/21/1043848021.db2.gz DWFFSXFCVNWFCD-OAQYLSRUSA-N 1 0 324.468 4.083 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000929872520 1043849879 /nfs/dbraw/zinc/84/98/79/1043849879.db2.gz HISIKICUNRYJQM-NGICGMGXSA-N 1 0 319.452 4.223 20 30 DIEDRO Cc1csc(C2([NH2+]CC3CCC(C#N)CC3)CCCC2)n1 ZINC000930010547 1043865938 /nfs/dbraw/zinc/86/59/38/1043865938.db2.gz QNEQJOCIGICQRO-UHFFFAOYSA-N 1 0 303.475 4.140 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC12CCCCC2)c1ccccc1 ZINC000878307798 1043869671 /nfs/dbraw/zinc/86/96/71/1043869671.db2.gz UAGAVXGPGUUOFS-NRFANRHFSA-N 1 0 324.468 4.226 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccccc1 ZINC000878367650 1043880663 /nfs/dbraw/zinc/88/06/63/1043880663.db2.gz AGYOMBRBZRGUJS-OALUTQOASA-N 1 0 315.457 4.012 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000356916884 1043894279 /nfs/dbraw/zinc/89/42/79/1043894279.db2.gz NABURGIEOXXEOO-UHFFFAOYSA-N 1 0 322.456 4.121 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC2(CCCC2)C1)c1ccccc1 ZINC000878481310 1043895145 /nfs/dbraw/zinc/89/51/45/1043895145.db2.gz OHWNCVOZJXSMFS-OAQYLSRUSA-N 1 0 324.468 4.083 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1cccc(-n2cccn2)c1 ZINC000930220108 1043896434 /nfs/dbraw/zinc/89/64/34/1043896434.db2.gz AYTIETVHAUIJKO-QGZVFWFLSA-N 1 0 322.456 4.387 20 30 DIEDRO CC(C)(C)[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1F ZINC000930233271 1043901267 /nfs/dbraw/zinc/90/12/67/1043901267.db2.gz OXUGFCUTNMZMOS-KRWDZBQOSA-N 1 0 315.367 4.108 20 30 DIEDRO N#CC1(CCCC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CCC1 ZINC000930299673 1043910825 /nfs/dbraw/zinc/91/08/25/1043910825.db2.gz IILLPFDVIXHWHE-GUDVDZBRSA-N 1 0 318.505 4.256 20 30 DIEDRO CC1(C)CC[C@@H](C[NH2+][C@H](CCCC#N)c2ccccc2)OC1 ZINC000878648516 1043911093 /nfs/dbraw/zinc/91/10/93/1043911093.db2.gz PHCSFLWXDWNJSP-ZWKOTPCHSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000522469889 1043912853 /nfs/dbraw/zinc/91/28/53/1043912853.db2.gz SQRVCWIPPXZYQC-SJLPKXTDSA-N 1 0 315.420 4.189 20 30 DIEDRO C[N@H+](Cc1cc(Br)ccc1C#N)C1CCCCC1 ZINC001141894955 1043919482 /nfs/dbraw/zinc/91/94/82/1043919482.db2.gz VYUAMEZQJDTUNI-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO Cc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)nc1Cl ZINC000878847450 1043923038 /nfs/dbraw/zinc/92/30/38/1043923038.db2.gz RHUJIENCMULGED-UHFFFAOYSA-N 1 0 311.816 4.084 20 30 DIEDRO N#CC1(CCCC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)CCC1 ZINC000930487220 1043931545 /nfs/dbraw/zinc/93/15/45/1043931545.db2.gz GDSTVWPPMZEWHE-KRWDZBQOSA-N 1 0 320.864 4.217 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000930519996 1043938128 /nfs/dbraw/zinc/93/81/28/1043938128.db2.gz PNIBVDDDWJFZBR-LBXVMSDZSA-N 1 0 324.468 4.000 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000930519997 1043938533 /nfs/dbraw/zinc/93/85/33/1043938533.db2.gz PNIBVDDDWJFZBR-UHYCVJNDSA-N 1 0 324.468 4.000 20 30 DIEDRO N#CCCC[C@H]([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccccc1 ZINC000930567845 1043942708 /nfs/dbraw/zinc/94/27/08/1043942708.db2.gz BPNPRAKMLQPSDO-ORQFMDKSSA-N 1 0 304.384 4.302 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCSc1ccncc1)c1ccccc1 ZINC000930568599 1043942812 /nfs/dbraw/zinc/94/28/12/1043942812.db2.gz IJXMFMKDBOIZOP-GOSISDBHSA-N 1 0 311.454 4.198 20 30 DIEDRO CC[C@@](C)([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000879128812 1043946844 /nfs/dbraw/zinc/94/68/44/1043946844.db2.gz RAEZXTRZTQGHBK-LJQANCHMSA-N 1 0 312.388 4.143 20 30 DIEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(CC2CCC(C#N)CC2)CC1 ZINC000930659845 1043951194 /nfs/dbraw/zinc/95/11/94/1043951194.db2.gz XXKSOQBQIWKMNW-UHFFFAOYSA-N 1 0 319.537 4.149 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CC3CCC(C#N)CC3)C2)c1 ZINC000930668302 1043951226 /nfs/dbraw/zinc/95/12/26/1043951226.db2.gz YRKHQUOQBMKTDD-YGTACJBFSA-N 1 0 312.457 4.203 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000930695131 1043956146 /nfs/dbraw/zinc/95/61/46/1043956146.db2.gz GRYBWBPJCZQTLG-AWEZNQCLSA-N 1 0 313.832 4.108 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000930721568 1043957164 /nfs/dbraw/zinc/95/71/64/1043957164.db2.gz MBWMJAOZFJRSFO-QLOJAFMTSA-N 1 0 324.468 4.170 20 30 DIEDRO CCCCCCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000127737906 1043965393 /nfs/dbraw/zinc/96/53/93/1043965393.db2.gz DTTLPBPHTAZWDP-UHFFFAOYSA-N 1 0 316.489 4.128 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C)c1ccccc1 ZINC000474879009 1043965378 /nfs/dbraw/zinc/96/53/78/1043965378.db2.gz PQYQGVRSOGGLPJ-AITUJVMLSA-N 1 0 315.457 4.261 20 30 DIEDRO N#CCC[C@@H](C#N)CN1CCC(Cc2ccccc2Cl)CC1 ZINC000879547658 1043971225 /nfs/dbraw/zinc/97/12/25/1043971225.db2.gz BFRKEVDLHDBLEP-INIZCTEOSA-N 1 0 315.848 4.038 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879668980 1043980030 /nfs/dbraw/zinc/98/00/30/1043980030.db2.gz CTMKQIJIAFDJBY-HZPDHXFCSA-N 1 0 322.374 4.474 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000474924293 1043985519 /nfs/dbraw/zinc/98/55/19/1043985519.db2.gz BJXPMNPYJMHLQI-UHFFFAOYSA-N 1 0 308.141 4.086 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2c3ccc(F)cc3O[C@H]2C)c1 ZINC000561749558 1044001725 /nfs/dbraw/zinc/00/17/25/1044001725.db2.gz ZKWNSYSATZZIIP-ORAYPTAESA-N 1 0 313.372 4.002 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)C[C@H](C)C(C)(C)C)c1ccccc1 ZINC000880075759 1044009654 /nfs/dbraw/zinc/00/96/54/1044009654.db2.gz GWCJENJJNUVJKI-OXJNMPFZSA-N 1 0 314.473 4.041 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931367878 1044018855 /nfs/dbraw/zinc/01/88/55/1044018855.db2.gz IPOBEZZBQARGNF-HNNXBMFYSA-N 1 0 310.445 4.072 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000931538805 1044040720 /nfs/dbraw/zinc/04/07/20/1044040720.db2.gz VJJJWGFXNDWMPX-GOSISDBHSA-N 1 0 318.848 4.135 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000931565529 1044046869 /nfs/dbraw/zinc/04/68/69/1044046869.db2.gz QGCVCASPSAFKPU-CQSZACIVSA-N 1 0 305.381 4.167 20 30 DIEDRO Cc1csc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c1 ZINC001137157291 1044050813 /nfs/dbraw/zinc/05/08/13/1044050813.db2.gz SFQYPBHURMYBCB-UHFFFAOYSA-N 1 0 310.466 4.383 20 30 DIEDRO Cc1nc(C2CC[NH+](CCCCC3(C#N)CCC3)CC2)[nH]c1C ZINC000931749406 1044066129 /nfs/dbraw/zinc/06/61/29/1044066129.db2.gz SMFIGQPECQWKTR-UHFFFAOYSA-N 1 0 314.477 4.070 20 30 DIEDRO CCC[N@H+](CCCCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000475044478 1044074205 /nfs/dbraw/zinc/07/42/05/1044074205.db2.gz BIRLMLQAMPJBHZ-UHFFFAOYSA-N 1 0 302.462 4.366 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc(C#N)cc1F ZINC000358577837 1044084335 /nfs/dbraw/zinc/08/43/35/1044084335.db2.gz VIXGDLQUPTZVTO-UGSOOPFHSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932176660 1044107416 /nfs/dbraw/zinc/10/74/16/1044107416.db2.gz LLSLJLWXDNWTMX-CQSZACIVSA-N 1 0 301.390 4.110 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932213807 1044110426 /nfs/dbraw/zinc/11/04/26/1044110426.db2.gz AUIKEGDNFGDLDR-IBGZPJMESA-N 1 0 318.420 4.403 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)ccc1F ZINC000932219873 1044111553 /nfs/dbraw/zinc/11/15/53/1044111553.db2.gz YPTZTIQMEABAAA-GOSISDBHSA-N 1 0 322.383 4.233 20 30 DIEDRO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCCC#N)C1 ZINC000358979053 1044117409 /nfs/dbraw/zinc/11/74/09/1044117409.db2.gz GAOUPDFMJVKXIW-MLGOLLRUSA-N 1 0 321.262 4.356 20 30 DIEDRO CC(C)[N@H+](Cc1cc2cccnc2o1)Cc1ccc(C#N)cc1 ZINC000562516123 1044124641 /nfs/dbraw/zinc/12/46/41/1044124641.db2.gz DJCGTVQUWYEROJ-UHFFFAOYSA-N 1 0 305.381 4.110 20 30 DIEDRO CC[C@@H](NCc1cc(C#N)ccc1F)c1cc(F)ccc1OC ZINC000932474573 1044133399 /nfs/dbraw/zinc/13/33/99/1044133399.db2.gz FXJUNXBXBYXTNV-QGZVFWFLSA-N 1 0 316.351 4.086 20 30 DIEDRO C=C(C[NH2+][C@H]1CCCOc2ccc(OC)cc21)c1ccccc1 ZINC000346785251 1044140577 /nfs/dbraw/zinc/14/05/77/1044140577.db2.gz ZKFDXKHEDKVDOW-IBGZPJMESA-N 1 0 309.409 4.212 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)cc1C#N ZINC000129456862 1044152672 /nfs/dbraw/zinc/15/26/72/1044152672.db2.gz XCFYQMULIXPVCK-GOSISDBHSA-N 1 0 306.409 4.079 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000281591216 1044167346 /nfs/dbraw/zinc/16/73/46/1044167346.db2.gz LRTBUMCJRLSWNZ-DOTOQJQBSA-N 1 0 313.445 4.004 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000130244584 1044196377 /nfs/dbraw/zinc/19/63/77/1044196377.db2.gz DKNGSIJXWGCYLH-AWEZNQCLSA-N 1 0 312.438 4.204 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000778173450 1044198079 /nfs/dbraw/zinc/19/80/79/1044198079.db2.gz KKNQAWFMFVFMGT-GFCCVEGCSA-N 1 0 313.775 4.020 20 30 DIEDRO N#CCc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC000933607473 1044201994 /nfs/dbraw/zinc/20/19/94/1044201994.db2.gz QKEMGPNZCMMCAI-UHFFFAOYSA-N 1 0 315.420 4.004 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000130542157 1044206885 /nfs/dbraw/zinc/20/68/85/1044206885.db2.gz YSDIMAXMEICFLN-INIZCTEOSA-N 1 0 300.789 4.180 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714776 1044207613 /nfs/dbraw/zinc/20/76/13/1044207613.db2.gz JAGWGXJBXNAOKB-ZDUSSCGKSA-N 1 0 313.367 4.031 20 30 DIEDRO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000130801419 1044215375 /nfs/dbraw/zinc/21/53/75/1044215375.db2.gz HNBNDBPPUZELIE-IRXDYDNUSA-N 1 0 308.425 4.479 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000883132542 1044226353 /nfs/dbraw/zinc/22/63/53/1044226353.db2.gz VEIIVKMADGGAIV-UHFFFAOYSA-N 1 0 307.365 4.007 20 30 DIEDRO CCC[C@@](C)([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000934187225 1044230635 /nfs/dbraw/zinc/23/06/35/1044230635.db2.gz UNIAKNVJLWIOFD-HXUWFJFHSA-N 1 0 308.425 4.394 20 30 DIEDRO Cc1cccnc1[C@H](NCc1cc(C#N)ccc1F)C(C)(C)C ZINC000934294462 1044235327 /nfs/dbraw/zinc/23/53/27/1044235327.db2.gz RDQSSLDFKRPIIV-SFHVURJKSA-N 1 0 311.404 4.278 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000883209354 1044235704 /nfs/dbraw/zinc/23/57/04/1044235704.db2.gz ANMRVARFHKJUQZ-AABGKKOBSA-N 1 0 315.457 4.012 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)[C@H]1CCCO1 ZINC000883227881 1044238901 /nfs/dbraw/zinc/23/89/01/1044238901.db2.gz AEFZZXJRAKZIPS-QBPKDAKJSA-N 1 0 321.486 4.072 20 30 DIEDRO C=CC[C@H]1CCN1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000934468828 1044252334 /nfs/dbraw/zinc/25/23/34/1044252334.db2.gz KODHVXHKEGYTHA-JTQLQIEISA-N 1 0 324.211 4.194 20 30 DIEDRO C=CC[C@H]1CCN1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468708 1044253329 /nfs/dbraw/zinc/25/33/29/1044253329.db2.gz HLCDZSHQQVCPKH-DOMZBBRYSA-N 1 0 317.820 4.025 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934560547 1044260206 /nfs/dbraw/zinc/26/02/06/1044260206.db2.gz LHSRMAJINWTSED-MRXNPFEDSA-N 1 0 322.456 4.023 20 30 DIEDRO C=CCCC[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000883326858 1044272906 /nfs/dbraw/zinc/27/29/06/1044272906.db2.gz LXPDPCLVEQNAEE-MOPGFXCFSA-N 1 0 309.457 4.485 20 30 DIEDRO C=CCCC[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccccc1 ZINC000883327369 1044273713 /nfs/dbraw/zinc/27/37/13/1044273713.db2.gz XCFKHSCDURSKSX-RTBURBONSA-N 1 0 309.457 4.485 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000883326860 1044274018 /nfs/dbraw/zinc/27/40/18/1044274018.db2.gz LXPDPCLVEQNAEE-RBUKOAKNSA-N 1 0 309.457 4.485 20 30 DIEDRO C=CCCC[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccccc1 ZINC000883327366 1044274860 /nfs/dbraw/zinc/27/48/60/1044274860.db2.gz XCFKHSCDURSKSX-MOPGFXCFSA-N 1 0 309.457 4.485 20 30 DIEDRO CC(C)(C[NH2+]Cc1nc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000563575178 1044283524 /nfs/dbraw/zinc/28/35/24/1044283524.db2.gz UWAZTWZROOMALO-UHFFFAOYSA-N 1 0 319.861 4.027 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2Cc3ccccc32)ccc1OC ZINC000237425599 1044283423 /nfs/dbraw/zinc/28/34/23/1044283423.db2.gz CUVYAGQSOYTXBH-GOSISDBHSA-N 1 0 323.436 4.080 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cc(Cl)c(N)c(Cl)c1 ZINC000840786489 1044283791 /nfs/dbraw/zinc/28/37/91/1044283791.db2.gz QKOPTWPGASHNFD-VIFPVBQESA-N 1 0 300.233 4.166 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N(C)C2CC[NH+](CCC)CC2)c1 ZINC000934878145 1044291150 /nfs/dbraw/zinc/29/11/50/1044291150.db2.gz UPWMCUGJZCGJSR-UHFFFAOYSA-N 1 0 315.461 4.058 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(Cl)cn1 ZINC000360649758 1044293542 /nfs/dbraw/zinc/29/35/42/1044293542.db2.gz WAMYFOZFCPQWQN-SFHVURJKSA-N 1 0 311.816 4.164 20 30 DIEDRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360657862 1044296318 /nfs/dbraw/zinc/29/63/18/1044296318.db2.gz PJDVFBKVTUWOQL-KSSFIOAISA-N 1 0 300.446 4.119 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)C1CCOCC1 ZINC000360657067 1044296366 /nfs/dbraw/zinc/29/63/66/1044296366.db2.gz LVYPBFATIUUKPY-PMACEKPBSA-N 1 0 312.457 4.121 20 30 DIEDRO COc1cc(F)cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360658766 1044296822 /nfs/dbraw/zinc/29/68/22/1044296822.db2.gz UZOXUYVZPDZCKK-HXUWFJFHSA-N 1 0 324.399 4.263 20 30 DIEDRO CN(C)c1ccccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360658669 1044296922 /nfs/dbraw/zinc/29/69/22/1044296922.db2.gz UPPKQVZPMVGGFI-HXUWFJFHSA-N 1 0 319.452 4.182 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000883385912 1044298972 /nfs/dbraw/zinc/29/89/72/1044298972.db2.gz VPZKOUHSOAPKBC-WBVHZDCISA-N 1 0 301.430 4.004 20 30 DIEDRO C[C@H]([NH2+]CCCCCO)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000360681467 1044299177 /nfs/dbraw/zinc/29/91/77/1044299177.db2.gz PYPACPLUTXMWEJ-INIZCTEOSA-N 1 0 308.425 4.038 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000883390673 1044303238 /nfs/dbraw/zinc/30/32/38/1044303238.db2.gz RGXWEEMBTGDSOZ-BXUZGUMPSA-N 1 0 322.499 4.158 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000523008137 1044305165 /nfs/dbraw/zinc/30/51/65/1044305165.db2.gz HYXHAAKXLUMTBF-KRWDZBQOSA-N 1 0 310.397 4.147 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(F)cc1F ZINC000360842149 1044317238 /nfs/dbraw/zinc/31/72/38/1044317238.db2.gz VNYAGRWBAPMPQQ-LJQANCHMSA-N 1 0 312.363 4.394 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1Br)c1ccc(C#N)cc1 ZINC000035256338 1044319652 /nfs/dbraw/zinc/31/96/52/1044319652.db2.gz IIIZMPDGWVGJTE-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO COCC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccco1 ZINC000360870699 1044321851 /nfs/dbraw/zinc/32/18/51/1044321851.db2.gz IBWSJMSKUBHEGA-RBUKOAKNSA-N 1 0 324.424 4.286 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1COc2ccc(F)cc21 ZINC000360872253 1044321932 /nfs/dbraw/zinc/32/19/32/1044321932.db2.gz LYENHZLRXOUYOW-MOPGFXCFSA-N 1 0 322.383 4.188 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)cc1C#N ZINC000132326682 1044322737 /nfs/dbraw/zinc/32/27/37/1044322737.db2.gz VFAAVGKLZMONOI-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000360882902 1044323204 /nfs/dbraw/zinc/32/32/04/1044323204.db2.gz HEXMLVYGVXTFOA-QINHECLXSA-N 1 0 312.457 4.121 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000609741579 1044329728 /nfs/dbraw/zinc/32/97/28/1044329728.db2.gz RWTNNAVETAFPPB-INIZCTEOSA-N 1 0 306.409 4.191 20 30 DIEDRO C#CCCOc1ccc(CNc2ccc(C)cc2C[NH+](C)C)cc1 ZINC000132660525 1044330043 /nfs/dbraw/zinc/33/00/43/1044330043.db2.gz APHLYDVOYQKAEJ-UHFFFAOYSA-N 1 0 322.452 4.071 20 30 DIEDRO CC1(c2ccccc2)CC([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000564008468 1044330499 /nfs/dbraw/zinc/33/04/99/1044330499.db2.gz JXXPAWDJSLLJRR-VEDCXYSMSA-N 1 0 302.421 4.255 20 30 DIEDRO CC1(c2ccccc2)CC([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000564008467 1044330961 /nfs/dbraw/zinc/33/09/61/1044330961.db2.gz JXXPAWDJSLLJRR-CKHPTIKVSA-N 1 0 302.421 4.255 20 30 DIEDRO C=CCC[N@@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1 ZINC001137196401 1044334123 /nfs/dbraw/zinc/33/41/23/1044334123.db2.gz CVALJLNZSIQZNE-UHFFFAOYSA-N 1 0 305.425 4.221 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2c3ccc(F)cc3O[C@H]2C)cc1 ZINC000564116019 1044342582 /nfs/dbraw/zinc/34/25/82/1044342582.db2.gz VZJVKWBMZOBNSO-ORAYPTAESA-N 1 0 313.372 4.002 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CC(C)(C)c2ccc(C)cc2C)cc1 ZINC001202560563 1044350027 /nfs/dbraw/zinc/35/00/27/1044350027.db2.gz JXPNKXYSEYZCKD-UHFFFAOYSA-N 1 0 321.464 4.383 20 30 DIEDRO CCCCCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935623677 1044352069 /nfs/dbraw/zinc/35/20/69/1044352069.db2.gz GEUDWVDSDICFJF-IBGZPJMESA-N 1 0 316.489 4.128 20 30 DIEDRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCCCC#N ZINC000361123452 1044362992 /nfs/dbraw/zinc/36/29/92/1044362992.db2.gz AEPKNHVHDOKBSE-CQSZACIVSA-N 1 0 313.470 4.387 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCc3c(F)cccc32)cc1 ZINC001202612261 1044371656 /nfs/dbraw/zinc/37/16/56/1044371656.db2.gz UVKPCIMZMXSHEI-OAQYLSRUSA-N 1 0 323.411 4.395 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000564420526 1044375232 /nfs/dbraw/zinc/37/52/32/1044375232.db2.gz YSWZOPCXLUCTCO-KRWDZBQOSA-N 1 0 316.326 4.354 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000564429006 1044377787 /nfs/dbraw/zinc/37/77/87/1044377787.db2.gz DVKXALRUZJLYKN-OAQYLSRUSA-N 1 0 320.436 4.165 20 30 DIEDRO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000361552271 1044416531 /nfs/dbraw/zinc/41/65/31/1044416531.db2.gz KJPFAMALMIQZIQ-KDOFPFPSSA-N 1 0 311.429 4.025 20 30 DIEDRO COCCCC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000348306441 1044468480 /nfs/dbraw/zinc/46/84/80/1044468480.db2.gz MAYHMXSFLQJWQS-FQEVSTJZSA-N 1 0 308.425 4.206 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)c1 ZINC000566077693 1044474799 /nfs/dbraw/zinc/47/47/99/1044474799.db2.gz SUVCNQSXFGUNMM-SFHVURJKSA-N 1 0 314.473 4.422 20 30 DIEDRO N#CCc1ccc(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000566219104 1044479098 /nfs/dbraw/zinc/47/90/98/1044479098.db2.gz AOXONDZFWJZJFP-UHFFFAOYSA-N 1 0 310.828 4.442 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000609916565 1044479629 /nfs/dbraw/zinc/47/96/29/1044479629.db2.gz XWSCKIZRIKOGBQ-CXAGYDPISA-N 1 0 312.363 4.214 20 30 DIEDRO CCC[N@@H+]1Cc2cccc(N[C@@H](C)c3ccc(C#N)cc3)c2C1 ZINC000118443314 1044484224 /nfs/dbraw/zinc/48/42/24/1044484224.db2.gz YJLGDIGVFRCXFF-HNNXBMFYSA-N 1 0 305.425 4.457 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)COc2ccc(C)cc2)cc1 ZINC000320922411 1044488977 /nfs/dbraw/zinc/48/89/77/1044488977.db2.gz BRXRCLIEPZXRKD-KRWDZBQOSA-N 1 0 311.425 4.117 20 30 DIEDRO N#CCC1(CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000362366837 1044506144 /nfs/dbraw/zinc/50/61/44/1044506144.db2.gz YAKZEWZWWMMYGH-UHFFFAOYSA-N 1 0 305.303 4.359 20 30 DIEDRO Cc1cc2ccc(Cl)cc2nc1N=NC1CC[N@H+](C)[C@@H](C)C1 ZINC000778552035 1044514515 /nfs/dbraw/zinc/51/45/15/1044514515.db2.gz QVQFRHPUJHWRFZ-LBPRGKRZSA-N 1 0 316.836 4.079 20 30 DIEDRO CC[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(C#N)cc1 ZINC000566953920 1044530238 /nfs/dbraw/zinc/53/02/38/1044530238.db2.gz IHIOSMICRIPNMM-IBGZPJMESA-N 1 0 301.393 4.347 20 30 DIEDRO CSc1ccccc1C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000348330853 1044546723 /nfs/dbraw/zinc/54/67/23/1044546723.db2.gz YPZCDOBMHKCVFC-UHFFFAOYSA-N 1 0 300.402 4.051 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000567225235 1044551095 /nfs/dbraw/zinc/55/10/95/1044551095.db2.gz BRGGXEHNXMYKGE-RTWAWAEBSA-N 1 0 318.420 4.295 20 30 DIEDRO COCCCC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000348333622 1044551462 /nfs/dbraw/zinc/55/14/62/1044551462.db2.gz ZZMBMZGDGHASSI-NRFANRHFSA-N 1 0 322.452 4.400 20 30 DIEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362960353 1044569528 /nfs/dbraw/zinc/56/95/28/1044569528.db2.gz MLKYOZGHZHVVBJ-YOEHRIQHSA-N 1 0 324.428 4.009 20 30 DIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000444630368 1044579409 /nfs/dbraw/zinc/57/94/09/1044579409.db2.gz ZRGQPUHWMHGZMQ-GOSISDBHSA-N 1 0 314.473 4.422 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CCC#N)CC2)cc(C)c1OC(F)F ZINC000567905390 1044589738 /nfs/dbraw/zinc/58/97/38/1044589738.db2.gz WAUMRUQELRIFLH-UHFFFAOYSA-N 1 0 322.399 4.421 20 30 DIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CCC1 ZINC000444642663 1044590462 /nfs/dbraw/zinc/59/04/62/1044590462.db2.gz RTFJTLZTHXIJNN-UHFFFAOYSA-N 1 0 304.437 4.371 20 30 DIEDRO CCCCCCC[C@H](C)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000885935928 1044594037 /nfs/dbraw/zinc/59/40/37/1044594037.db2.gz WGDXOHUTWWNGKJ-ZWKOTPCHSA-N 1 0 311.510 4.301 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccncc1 ZINC000885988455 1044596258 /nfs/dbraw/zinc/59/62/58/1044596258.db2.gz JXCFLZKIIYUXJQ-ZWKOTPCHSA-N 1 0 300.446 4.170 20 30 DIEDRO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCC[C@@H]1C ZINC000444673711 1044597686 /nfs/dbraw/zinc/59/76/86/1044597686.db2.gz ITNKBLVSOPQTDN-YOEHRIQHSA-N 1 0 324.428 4.009 20 30 DIEDRO COc1cccc(COc2ccc(C[NH2+]CCCCC#N)cc2)c1 ZINC000885969535 1044597796 /nfs/dbraw/zinc/59/77/96/1044597796.db2.gz VQGKHAGUROOJOE-UHFFFAOYSA-N 1 0 324.424 4.058 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000444690491 1044603172 /nfs/dbraw/zinc/60/31/72/1044603172.db2.gz SVZFKHIMHZLVQY-AWEZNQCLSA-N 1 0 306.400 4.474 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1nc(C2CCCCC2)no1 ZINC000444690558 1044605309 /nfs/dbraw/zinc/60/53/09/1044605309.db2.gz UGMKADLFEMCSPA-CQSZACIVSA-N 1 0 318.465 4.488 20 30 DIEDRO C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000152035265 1044616059 /nfs/dbraw/zinc/61/60/59/1044616059.db2.gz GXMOAUPKRJFJPB-CQSZACIVSA-N 1 0 314.816 4.079 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1Cl ZINC000886107209 1044616736 /nfs/dbraw/zinc/61/67/36/1044616736.db2.gz NFELNAQTNXFHSE-INIZCTEOSA-N 1 0 318.848 4.183 20 30 DIEDRO C=CCCCCCCCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000886116495 1044618803 /nfs/dbraw/zinc/61/88/03/1044618803.db2.gz JBOVZNAHTPLIMW-GOSISDBHSA-N 1 0 309.494 4.221 20 30 DIEDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000568396275 1044621796 /nfs/dbraw/zinc/62/17/96/1044621796.db2.gz CCJZMFPNCLROPO-GOSISDBHSA-N 1 0 323.396 4.343 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000568439794 1044626274 /nfs/dbraw/zinc/62/62/74/1044626274.db2.gz CHWMYSSXUICGCR-INIZCTEOSA-N 1 0 312.413 4.117 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@H+](C)[C@H]2CCc3ccccc32)c1O ZINC000218803579 1044629467 /nfs/dbraw/zinc/62/94/67/1044629467.db2.gz LKHQEXYHENPRGI-FQEVSTJZSA-N 1 0 323.436 4.249 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000296595164 1044631606 /nfs/dbraw/zinc/63/16/06/1044631606.db2.gz VFDSXMVYGBJPAX-OAHLLOKOSA-N 1 0 319.330 4.213 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000568791727 1044650974 /nfs/dbraw/zinc/65/09/74/1044650974.db2.gz BLUBUFXFDQSSHJ-QWRGUYRKSA-N 1 0 300.215 4.073 20 30 DIEDRO CC[C@@H]([NH2+]CC1(c2ccccc2OC)CC1)c1ccc(C#N)cc1 ZINC000568830354 1044655147 /nfs/dbraw/zinc/65/51/47/1044655147.db2.gz HUNKVNRKFARWFB-LJQANCHMSA-N 1 0 320.436 4.339 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000523553086 1044658573 /nfs/dbraw/zinc/65/85/73/1044658573.db2.gz LNIHTEZWSLPGOO-UHFFFAOYSA-N 1 0 302.462 4.106 20 30 DIEDRO C=CC1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000523608558 1044667276 /nfs/dbraw/zinc/66/72/76/1044667276.db2.gz OCKDZSXMKNVWCG-UHFFFAOYSA-N 1 0 302.418 4.347 20 30 DIEDRO N#CCSCCC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000072517841 1044672869 /nfs/dbraw/zinc/67/28/69/1044672869.db2.gz MQMDKJJYHGJYKY-GOSISDBHSA-N 1 0 313.470 4.342 20 30 DIEDRO C#CC(CC)(CC)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC001257553491 1044674219 /nfs/dbraw/zinc/67/42/19/1044674219.db2.gz KUIXAVIYVBXVDO-ZDUSSCGKSA-N 1 0 308.263 4.162 20 30 DIEDRO N#CCCC[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000569145011 1044677555 /nfs/dbraw/zinc/67/75/55/1044677555.db2.gz KAFLEUGZUOHDPL-HNNXBMFYSA-N 1 0 321.262 4.150 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)CC2 ZINC000886687681 1044681733 /nfs/dbraw/zinc/68/17/33/1044681733.db2.gz BXLHBAYZVWNCJT-GOSISDBHSA-N 1 0 324.449 4.066 20 30 DIEDRO Cc1csc(C[C@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)n1 ZINC000886694425 1044683775 /nfs/dbraw/zinc/68/37/75/1044683775.db2.gz VYMSOUPHJSODTK-OAHLLOKOSA-N 1 0 305.491 4.036 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886709580 1044685646 /nfs/dbraw/zinc/68/56/46/1044685646.db2.gz UKJKORRJGUEFJG-ZWKOTPCHSA-N 1 0 309.494 4.077 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000365455783 1044692058 /nfs/dbraw/zinc/69/20/58/1044692058.db2.gz DUFHGGQQGQDJDM-LJQANCHMSA-N 1 0 312.457 4.233 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1(CC#N)CCCC1 ZINC001257561580 1044695392 /nfs/dbraw/zinc/69/53/92/1044695392.db2.gz QLFHIRFZGMKRLA-CYBMUJFWSA-N 1 0 321.262 4.196 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cc(Cl)cc2c1OCC2 ZINC000897338045 1044703127 /nfs/dbraw/zinc/70/31/27/1044703127.db2.gz HFQQQJFNVARYES-BZUNDVKYSA-N 1 0 304.821 4.008 20 30 DIEDRO C=C(C)C[N@@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000078709248 1044712634 /nfs/dbraw/zinc/71/26/34/1044712634.db2.gz XRGZOFFIUYQAPL-UHFFFAOYSA-N 1 0 305.809 4.178 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1F ZINC000886896375 1044717323 /nfs/dbraw/zinc/71/73/23/1044717323.db2.gz HSMVCPZHAKBIJA-UHFFFAOYSA-N 1 0 300.352 4.056 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000524043271 1044718537 /nfs/dbraw/zinc/71/85/37/1044718537.db2.gz CUGILJFQFLTGBQ-LJQANCHMSA-N 1 0 308.400 4.295 20 30 DIEDRO CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C#N)cn2)o1 ZINC000570173814 1044737985 /nfs/dbraw/zinc/73/79/85/1044737985.db2.gz PIDCREFGVMULIR-KBXCAEBGSA-N 1 0 309.413 4.082 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@H]1CCOC1 ZINC000367803251 1044755171 /nfs/dbraw/zinc/75/51/71/1044755171.db2.gz QVJGICQVDPIXLU-MRUHUIDDSA-N 1 0 320.436 4.301 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000367962786 1044761107 /nfs/dbraw/zinc/76/11/07/1044761107.db2.gz NHEUSFXEQCMNGI-UHFFFAOYSA-N 1 0 311.404 4.307 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000570687696 1044774345 /nfs/dbraw/zinc/77/43/45/1044774345.db2.gz YXAVKDLAZVPTRZ-LJQANCHMSA-N 1 0 323.396 4.262 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CC(C)(C)CCC#N)cc1OC ZINC000124690255 1044794737 /nfs/dbraw/zinc/79/47/37/1044794737.db2.gz QMDCWTNDSKWBTH-INIZCTEOSA-N 1 0 316.445 4.171 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000475633214 1044803399 /nfs/dbraw/zinc/80/33/99/1044803399.db2.gz GEOKKGATTPDLGO-COPLHBTASA-N 1 0 302.245 4.217 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000475633220 1044804691 /nfs/dbraw/zinc/80/46/91/1044804691.db2.gz GEOKKGATTPDLGO-WDMOLILDSA-N 1 0 302.245 4.217 20 30 DIEDRO C=CCCCC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000571750748 1044822387 /nfs/dbraw/zinc/82/23/87/1044822387.db2.gz OMPFQCVJLYEJDJ-HNNXBMFYSA-N 1 0 309.251 4.241 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000571988970 1044835243 /nfs/dbraw/zinc/83/52/43/1044835243.db2.gz LCIIWZDKAKGGOL-STQMWFEESA-N 1 0 303.381 4.189 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000571988969 1044836607 /nfs/dbraw/zinc/83/66/07/1044836607.db2.gz LCIIWZDKAKGGOL-QWHCGFSZSA-N 1 0 303.381 4.189 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1ccc(C#N)cc1 ZINC000337405263 1044894202 /nfs/dbraw/zinc/89/42/02/1044894202.db2.gz SYOOTMWGUVNZQF-CVAIRZPRSA-N 1 0 305.425 4.330 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000524756097 1044915430 /nfs/dbraw/zinc/91/54/30/1044915430.db2.gz ZUPVMGLQKQLVMH-UHFFFAOYSA-N 1 0 312.457 4.120 20 30 DIEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@@H](SC)C(C)(C)C)cc1 ZINC000573771738 1044920978 /nfs/dbraw/zinc/92/09/78/1044920978.db2.gz SJUIOVZGWKVDLH-DLBZAZTESA-N 1 0 320.502 4.407 20 30 DIEDRO C=CCC[N@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000524811941 1044927474 /nfs/dbraw/zinc/92/74/74/1044927474.db2.gz VFTQOKLSSJHCFS-KRWDZBQOSA-N 1 0 303.446 4.067 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000574168752 1044942853 /nfs/dbraw/zinc/94/28/53/1044942853.db2.gz DUDBXCJEPJAXLR-WOJBJXKFSA-N 1 0 305.425 4.030 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CCC#N)CC2)ccc1Br ZINC000574687912 1044966077 /nfs/dbraw/zinc/96/60/77/1044966077.db2.gz FXXVQJGXVMRQJM-UHFFFAOYSA-N 1 0 321.262 4.273 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccncc1F ZINC000338019875 1044974606 /nfs/dbraw/zinc/97/46/06/1044974606.db2.gz NULLARSKSVTZQK-DJJJIMSYSA-N 1 0 309.388 4.211 20 30 DIEDRO CC(C)(C)OC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135287843 1044976752 /nfs/dbraw/zinc/97/67/52/1044976752.db2.gz MESVDVOIDRFINX-UHFFFAOYSA-N 1 0 314.473 4.267 20 30 DIEDRO Cc1cccc([C@@H](O)C[N@H+](CCCCC#N)Cc2ccccc2)c1 ZINC000135491305 1044981761 /nfs/dbraw/zinc/98/17/61/1044981761.db2.gz QVGMICFLVXQDKC-NRFANRHFSA-N 1 0 322.452 4.225 20 30 DIEDRO N#CC1(CC[N@@H+]2CCC[C@@H](c3nccs3)C2)CCCCC1 ZINC000411207828 1044984501 /nfs/dbraw/zinc/98/45/01/1044984501.db2.gz JDLPVEICJAXLFR-OAHLLOKOSA-N 1 0 303.475 4.187 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCO[C@@H]1CCCCO1)c1ccccc1 ZINC000338286302 1044990295 /nfs/dbraw/zinc/99/02/95/1044990295.db2.gz KYHVVJMHSXRSRQ-RBUKOAKNSA-N 1 0 303.446 4.217 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C12CCCCC2 ZINC000525124381 1044991804 /nfs/dbraw/zinc/99/18/04/1044991804.db2.gz VANOQBIMAOGFRT-MOPGFXCFSA-N 1 0 312.457 4.118 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C12CCCCC2 ZINC000525124384 1044992983 /nfs/dbraw/zinc/99/29/83/1044992983.db2.gz VANOQBIMAOGFRT-RTBURBONSA-N 1 0 312.457 4.118 20 30 DIEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000411315938 1044995914 /nfs/dbraw/zinc/99/59/14/1044995914.db2.gz KCARMFVJWMLJGB-WCQYABFASA-N 1 0 313.228 4.139 20 30 DIEDRO COc1cc(C[N@H+](C)[C@@H]2CCCc3ccccc32)ccc1C#N ZINC000575465057 1045001087 /nfs/dbraw/zinc/00/10/87/1045001087.db2.gz UALCOKZGKGMRFM-LJQANCHMSA-N 1 0 306.409 4.076 20 30 DIEDRO COc1cc(C[N@H+](C)[C@H]2CCCc3ccccc32)ccc1C#N ZINC000575465056 1045001308 /nfs/dbraw/zinc/00/13/08/1045001308.db2.gz UALCOKZGKGMRFM-IBGZPJMESA-N 1 0 306.409 4.076 20 30 DIEDRO C[C@H](CCC#N)[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000411379614 1045002278 /nfs/dbraw/zinc/00/22/78/1045002278.db2.gz FMBDKXHHIQRCPX-CYBMUJFWSA-N 1 0 308.347 4.487 20 30 DIEDRO Cc1ccncc1CCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000575785981 1045007628 /nfs/dbraw/zinc/00/76/28/1045007628.db2.gz BYOVYWSBGRWNGJ-UHFFFAOYSA-N 1 0 321.468 4.353 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CCC2(C#N)CCCCC2)cc1F ZINC000411449570 1045009206 /nfs/dbraw/zinc/00/92/06/1045009206.db2.gz DFOFCAJNHZTAQE-AWEZNQCLSA-N 1 0 304.409 4.349 20 30 DIEDRO N#CC1(CC[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)CCCCC1 ZINC000411501842 1045013595 /nfs/dbraw/zinc/01/35/95/1045013595.db2.gz HSMSQPCOGPXAQS-GOSISDBHSA-N 1 0 322.456 4.147 20 30 DIEDRO C[C@H](CCC#N)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000411523303 1045014051 /nfs/dbraw/zinc/01/40/51/1045014051.db2.gz FBSCKAJYJTVPKL-CYBMUJFWSA-N 1 0 319.246 4.230 20 30 DIEDRO CCCn1ccnc1CCC[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411629619 1045022856 /nfs/dbraw/zinc/02/28/56/1045022856.db2.gz DMORJJURZQHXNK-UHFFFAOYSA-N 1 0 316.493 4.022 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(F)cc2O1 ZINC000151382383 1045023161 /nfs/dbraw/zinc/02/31/61/1045023161.db2.gz ZYDBXNSCXVEKOZ-QGZVFWFLSA-N 1 0 310.372 4.089 20 30 DIEDRO N#CC1(CC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000411784239 1045030567 /nfs/dbraw/zinc/03/05/67/1045030567.db2.gz HDLUIBRJLPIPAU-MSOLQXFVSA-N 1 0 316.489 4.132 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2ccc(NC(C)=O)cc2)CCCC1(C)C ZINC000446829988 1045048555 /nfs/dbraw/zinc/04/85/55/1045048555.db2.gz NITJGQHCRYASKI-GOSISDBHSA-N 1 0 300.446 4.212 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000193324479 1045054212 /nfs/dbraw/zinc/05/42/12/1045054212.db2.gz UESPXURJLCPRQU-XJKSGUPXSA-N 1 0 322.374 4.409 20 30 DIEDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000412066499 1045054325 /nfs/dbraw/zinc/05/43/25/1045054325.db2.gz LMFATSWYQGTLPJ-MRXNPFEDSA-N 1 0 322.493 4.150 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](OCC)c1ccccc1 ZINC000446857719 1045055799 /nfs/dbraw/zinc/05/57/99/1045055799.db2.gz WVTCKYMHHQRIPH-FQEVSTJZSA-N 1 0 311.425 4.119 20 30 DIEDRO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000153677613 1045060275 /nfs/dbraw/zinc/06/02/75/1045060275.db2.gz ZNFYUHHIBBEZBR-INIZCTEOSA-N 1 0 311.473 4.006 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000576577317 1045066257 /nfs/dbraw/zinc/06/62/57/1045066257.db2.gz URYAYTDQWMXRJW-HUBLWGQQSA-N 1 0 301.352 4.072 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374573628 1045071723 /nfs/dbraw/zinc/07/17/23/1045071723.db2.gz VJERQKCKLULSCR-CYBMUJFWSA-N 1 0 302.384 4.371 20 30 DIEDRO Cc1ccc(-c2cnc(C[NH+]3CCC(CCC#N)CC3)o2)cc1 ZINC000576751633 1045077475 /nfs/dbraw/zinc/07/74/75/1045077475.db2.gz WZYSIRXIIQBBHS-UHFFFAOYSA-N 1 0 309.413 4.166 20 30 DIEDRO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000576790512 1045080026 /nfs/dbraw/zinc/08/00/26/1045080026.db2.gz XVVPVAOUKPCVRS-KBXCAEBGSA-N 1 0 310.397 4.133 20 30 DIEDRO C[C@H]([NH2+]Cc1cccn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374691320 1045083431 /nfs/dbraw/zinc/08/34/31/1045083431.db2.gz CZCZMCGRXNDSKZ-INIZCTEOSA-N 1 0 315.420 4.415 20 30 DIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCCC(C)(C)C#N)nc2c1 ZINC000577272488 1045112817 /nfs/dbraw/zinc/11/28/17/1045112817.db2.gz HQSRGVBMMDLULS-KRWDZBQOSA-N 1 0 310.445 4.338 20 30 DIEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CC1 ZINC000600683320 1045126359 /nfs/dbraw/zinc/12/63/59/1045126359.db2.gz SFAZEVVGNZBHRR-HZPDHXFCSA-N 1 0 314.473 4.425 20 30 DIEDRO C=CC1CC[NH+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000600679931 1045127488 /nfs/dbraw/zinc/12/74/88/1045127488.db2.gz IPSAAUJTASACDU-UHFFFAOYSA-N 1 0 311.429 4.258 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(C)(C)c1ccc2ccccc2c1 ZINC000600760496 1045135135 /nfs/dbraw/zinc/13/51/35/1045135135.db2.gz UTKPXKVYTNLDBN-LJQANCHMSA-N 1 0 324.468 4.008 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccco1 ZINC000577564704 1045136974 /nfs/dbraw/zinc/13/69/74/1045136974.db2.gz SJTHCBDRIRRPCY-CRAIPNDOSA-N 1 0 317.454 4.426 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000447535614 1045141804 /nfs/dbraw/zinc/14/18/04/1045141804.db2.gz HIWYSSPLHDXEKL-GBESFXJTSA-N 1 0 314.473 4.440 20 30 DIEDRO CC[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc(C#N)cc1 ZINC000447540992 1045142949 /nfs/dbraw/zinc/14/29/49/1045142949.db2.gz LCFMBTRDIIBEOJ-SFHVURJKSA-N 1 0 300.352 4.120 20 30 DIEDRO C=CCCc1ccccc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000577625662 1045143680 /nfs/dbraw/zinc/14/36/80/1045143680.db2.gz PATAOHWQXQAPLV-UHFFFAOYSA-N 1 0 322.452 4.162 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447545089 1045145871 /nfs/dbraw/zinc/14/58/71/1045145871.db2.gz XAMWBYLFRCDOGJ-JXFKEZNVSA-N 1 0 307.441 4.124 20 30 DIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447574843 1045146890 /nfs/dbraw/zinc/14/68/90/1045146890.db2.gz OXOVYHQHQOGJOM-SJLPKXTDSA-N 1 0 322.456 4.168 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccc(C#N)cc1 ZINC000447574644 1045147210 /nfs/dbraw/zinc/14/72/10/1045147210.db2.gz OAAQQLXWLNXCRV-JVPBZIDWSA-N 1 0 306.409 4.164 20 30 DIEDRO CCO[C@@H](C[NH2+][C@@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447555726 1045149168 /nfs/dbraw/zinc/14/91/68/1045149168.db2.gz CWMXSOYCPFFEKL-PMACEKPBSA-N 1 0 308.425 4.377 20 30 DIEDRO CCO[C@@H](C[NH2+][C@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447555727 1045149519 /nfs/dbraw/zinc/14/95/19/1045149519.db2.gz CWMXSOYCPFFEKL-UXHICEINSA-N 1 0 308.425 4.377 20 30 DIEDRO CC[C@H]([NH2+][C@@H](COC)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000447587493 1045153059 /nfs/dbraw/zinc/15/30/59/1045153059.db2.gz RHTXYNQVVSHLFO-OALUTQOASA-N 1 0 312.388 4.126 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2ccc(OC)cc2)CC1)c1ccc(C#N)cc1 ZINC000447585800 1045153285 /nfs/dbraw/zinc/15/32/85/1045153285.db2.gz LOCMROWLTKLZQS-LJQANCHMSA-N 1 0 306.409 4.297 20 30 DIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000577789151 1045171140 /nfs/dbraw/zinc/17/11/40/1045171140.db2.gz HZKYDQOWUMTIRG-IRXDYDNUSA-N 1 0 311.454 4.173 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)c(Cl)c1 ZINC000577795864 1045173244 /nfs/dbraw/zinc/17/32/44/1045173244.db2.gz XCOGTXIZUYEPDL-GFCCVEGCSA-N 1 0 302.780 4.396 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC(N(CC)C(=O)CC)CC1 ZINC001258049849 1045174373 /nfs/dbraw/zinc/17/43/73/1045174373.db2.gz PRSWHNGXROAXKA-QGZVFWFLSA-N 1 0 310.526 4.458 20 30 DIEDRO C=CCCC[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000447795898 1045175359 /nfs/dbraw/zinc/17/53/59/1045175359.db2.gz QPZFIBUGRXKDTP-GOSISDBHSA-N 1 0 312.388 4.061 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1 ZINC000601123791 1045189671 /nfs/dbraw/zinc/18/96/71/1045189671.db2.gz JOPCBOLKBZIFBT-HXUWFJFHSA-N 1 0 322.456 4.208 20 30 DIEDRO CCN(CC)[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)c1ccsc1 ZINC000924659647 1045189650 /nfs/dbraw/zinc/18/96/50/1045189650.db2.gz RAHAYDBDCHIKKG-GDBMZVCRSA-N 1 0 307.507 4.049 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)cc1 ZINC000601129167 1045189794 /nfs/dbraw/zinc/18/97/94/1045189794.db2.gz CAOIPBWRJHNEKT-UHFFFAOYSA-N 1 0 318.342 4.147 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000601119471 1045189927 /nfs/dbraw/zinc/18/99/27/1045189927.db2.gz SNECLCZBFSFVDC-UHFFFAOYSA-N 1 0 310.363 4.211 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccccc2)C2CCCCC2)nc1 ZINC000577932982 1045190089 /nfs/dbraw/zinc/19/00/89/1045190089.db2.gz BYRGCCYUXAXOAU-UHFFFAOYSA-N 1 0 305.425 4.288 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C(C)(C)O)cc1)c1ccc(C#N)cc1 ZINC000924787368 1045198774 /nfs/dbraw/zinc/19/87/74/1045198774.db2.gz WRWVEDPPIMETKQ-HUUCEWRRSA-N 1 0 308.425 4.197 20 30 DIEDRO COC1(C)CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000557571089 1045201881 /nfs/dbraw/zinc/20/18/81/1045201881.db2.gz KRAHJUSWVPTUNT-UHFFFAOYSA-N 1 0 320.436 4.226 20 30 DIEDRO C[C@@H](C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000527239929 1045205676 /nfs/dbraw/zinc/20/56/76/1045205676.db2.gz CAPMEMXCTKQEPH-KRWDZBQOSA-N 1 0 320.436 4.205 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1OC ZINC000601265374 1045207515 /nfs/dbraw/zinc/20/75/15/1045207515.db2.gz PALLRUDERAXKOL-RDTXWAMCSA-N 1 0 324.424 4.377 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccsc1C(F)(F)F)CC2 ZINC000601288128 1045211886 /nfs/dbraw/zinc/21/18/86/1045211886.db2.gz QFQNFVBCYYPGMX-CQSZACIVSA-N 1 0 322.355 4.416 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2c3ccccc3[nH]c2C(F)(F)F)C1 ZINC000601291070 1045211969 /nfs/dbraw/zinc/21/19/69/1045211969.db2.gz FOGPWCDSAOOELP-VXGBXAGGSA-N 1 0 321.346 4.011 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2c3ccccc3[nH]c2C(F)(F)F)C1 ZINC000601291068 1045212770 /nfs/dbraw/zinc/21/27/70/1045212770.db2.gz FOGPWCDSAOOELP-NWDGAFQWSA-N 1 0 321.346 4.011 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601292427 1045212816 /nfs/dbraw/zinc/21/28/16/1045212816.db2.gz WZFPPGXFOKVGOS-DYXWJJEUSA-N 1 0 319.452 4.427 20 30 DIEDRO C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc(C#N)c(F)c1 ZINC000601303126 1045213407 /nfs/dbraw/zinc/21/34/07/1045213407.db2.gz CQAJDWUMNLMAMH-KDOFPFPSSA-N 1 0 316.420 4.087 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC000578170142 1045217519 /nfs/dbraw/zinc/21/75/19/1045217519.db2.gz RNRGUVGDQSSQCV-SQZREULQSA-N 1 0 302.421 4.430 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000779054169 1045218267 /nfs/dbraw/zinc/21/82/67/1045218267.db2.gz UQSOXKWEUCMJAI-CYBMUJFWSA-N 1 0 317.791 4.342 20 30 DIEDRO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(C#N)c(F)c3)c[nH]c2c1 ZINC000527371584 1045224399 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N#Cc1ccc(CN(Cc2ccccc2)Cc2ccccc2)nc1 ZINC000578833430 1045275720 /nfs/dbraw/zinc/27/57/20/1045275720.db2.gz NVWSMOIRIKRPFH-UHFFFAOYSA-N 1 0 313.404 4.156 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000578985000 1045285670 /nfs/dbraw/zinc/28/56/70/1045285670.db2.gz OAWHSFATRBNVGV-CVEARBPZSA-N 1 0 322.493 4.006 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000527964342 1045289527 /nfs/dbraw/zinc/28/95/27/1045289527.db2.gz JWRZWHNKLZXQOR-YJYMSZOUSA-N 1 0 309.388 4.284 20 30 DIEDRO C=CCc1cc(C[N@H+](CC)Cc2ccccc2)c(O)c(OC)c1 ZINC000216020808 1045290937 /nfs/dbraw/zinc/29/09/37/1045290937.db2.gz YOZDQKGZADPZNA-UHFFFAOYSA-N 1 0 311.425 4.151 20 30 DIEDRO COc1cc(C[NH2+][C@H](CC(C)C)c2ccccc2)ccc1C#N ZINC000579413389 1045314267 /nfs/dbraw/zinc/31/42/67/1045314267.db2.gz MUVYAEGOGHYWLY-LJQANCHMSA-N 1 0 308.425 4.444 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000579651931 1045328586 /nfs/dbraw/zinc/32/85/86/1045328586.db2.gz KKLXPLYEDJQOMN-XIKOKIGWSA-N 1 0 310.372 4.044 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000188180844 1045334582 /nfs/dbraw/zinc/33/45/82/1045334582.db2.gz GRPJGRRTTDQVOG-CTNGQTDRSA-N 1 0 320.436 4.189 20 30 DIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449062490 1045337536 /nfs/dbraw/zinc/33/75/36/1045337536.db2.gz LSSANJIDDRYWQW-UHFFFAOYSA-N 1 0 322.456 4.051 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)CC2(c3ccccc3)CC2)cc1 ZINC000188715165 1045338529 /nfs/dbraw/zinc/33/85/29/1045338529.db2.gz ODVMYZQYNLQMRO-QGZVFWFLSA-N 1 0 320.436 4.141 20 30 DIEDRO CCN(CC)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449063992 1045339167 /nfs/dbraw/zinc/33/91/67/1045339167.db2.gz OEFFUDGEKRTORT-IOJLRTSASA-N 1 0 313.489 4.132 20 30 DIEDRO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000075755817 1045339430 /nfs/dbraw/zinc/33/94/30/1045339430.db2.gz CHSDOUJQKLIRHR-CQSZACIVSA-N 1 0 323.396 4.441 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1OC ZINC000449070868 1045344340 /nfs/dbraw/zinc/34/43/40/1045344340.db2.gz MBPUJNZJWMAJLC-ASFAAARLSA-N 1 0 316.445 4.217 20 30 DIEDRO COc1ccc2cc(C[NH2+]C3CCC(C)(C#N)CC3)ccc2c1 ZINC000449075885 1045345328 /nfs/dbraw/zinc/34/53/28/1045345328.db2.gz WOEGDFUKPGHZLI-UHFFFAOYSA-N 1 0 308.425 4.410 20 30 DIEDRO CC[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1cccc(C)c1 ZINC000449089585 1045347272 /nfs/dbraw/zinc/34/72/72/1045347272.db2.gz KOHNCFGRJCTWOM-TVRKMHQQSA-N 1 0 300.446 4.215 20 30 DIEDRO CCCCOc1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449091047 1045347353 /nfs/dbraw/zinc/34/73/53/1045347353.db2.gz OWJNFYZIXJVUOO-UHFFFAOYSA-N 1 0 314.473 4.470 20 30 DIEDRO Cc1ccc(OCCCC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449090767 1045349045 /nfs/dbraw/zinc/34/90/45/1045349045.db2.gz OBANELOVSWOPNR-UHFFFAOYSA-N 1 0 300.446 4.216 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000449138605 1045350858 /nfs/dbraw/zinc/35/08/58/1045350858.db2.gz COUPYJRINCNQAF-UHFFFAOYSA-N 1 0 321.262 4.054 20 30 DIEDRO C[C@H](NC(C)(C)C[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449139039 1045351270 /nfs/dbraw/zinc/35/12/70/1045351270.db2.gz JUOHTHBQJQENHK-VQSBYGRUSA-N 1 0 313.489 4.178 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C12CCCCC2 ZINC000449152345 1045351812 /nfs/dbraw/zinc/35/18/12/1045351812.db2.gz DWUVQGBULNQOCE-SAGYGOJTSA-N 1 0 304.478 4.176 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449174832 1045354418 /nfs/dbraw/zinc/35/44/18/1045354418.db2.gz NCPGLXUNXVIANR-JLAWEPINSA-N 1 0 302.437 4.455 20 30 DIEDRO CO[C@H](C[NH2+]C1CCC(C)(C#N)CC1)c1cccc(Cl)c1 ZINC000449173825 1045354466 /nfs/dbraw/zinc/35/44/66/1045354466.db2.gz LPGHQTACEAROMP-AQFXKWCLSA-N 1 0 306.837 4.090 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000449176244 1045355068 /nfs/dbraw/zinc/35/50/68/1045355068.db2.gz QCZSAGHNAYKQHO-LLVKDONJSA-N 1 0 306.397 4.429 20 30 DIEDRO CC[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1ccccc1C ZINC000449176389 1045355025 /nfs/dbraw/zinc/35/50/25/1045355025.db2.gz SLPXOKOCMUGVLZ-TVRKMHQQSA-N 1 0 300.446 4.215 20 30 DIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)n1 ZINC000449196623 1045357852 /nfs/dbraw/zinc/35/78/52/1045357852.db2.gz YNIKLMBACDUYTA-UHFFFAOYSA-N 1 0 322.456 4.051 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000449188596 1045360215 /nfs/dbraw/zinc/36/02/15/1045360215.db2.gz SMLDKLLADNHICK-ZUJMUWTESA-N 1 0 302.384 4.417 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449184261 1045360507 /nfs/dbraw/zinc/36/05/07/1045360507.db2.gz MJVPEAIVXXXPII-KAXARAQCSA-N 1 0 312.457 4.277 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000449197410 1045362490 /nfs/dbraw/zinc/36/24/90/1045362490.db2.gz VXCSVBWDGBTGFC-KAXARAQCSA-N 1 0 312.457 4.186 20 30 DIEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000449201537 1045362579 /nfs/dbraw/zinc/36/25/79/1045362579.db2.gz IOLZAJCBKLNCNW-YJBOKZPZSA-N 1 0 323.396 4.160 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC000449220681 1045364630 /nfs/dbraw/zinc/36/46/30/1045364630.db2.gz QRIMMXJWTYAVMR-UHFFFAOYSA-N 1 0 321.424 4.436 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000449266640 1045371822 /nfs/dbraw/zinc/37/18/22/1045371822.db2.gz WELBJYUDKIYQDY-ZNMIVQPWSA-N 1 0 307.400 4.195 20 30 DIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449294529 1045373935 /nfs/dbraw/zinc/37/39/35/1045373935.db2.gz MBKDTAUHQNHAQM-GPJFCIFZSA-N 1 0 314.473 4.086 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000449310534 1045374406 /nfs/dbraw/zinc/37/44/06/1045374406.db2.gz HKJUNTGTHGGGNC-AEFFLSMTSA-N 1 0 315.461 4.017 20 30 DIEDRO Cc1ccccc1-c1ccccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000449316776 1045376480 /nfs/dbraw/zinc/37/64/80/1045376480.db2.gz PPEHJUBEMMHAIN-UHFFFAOYSA-N 1 0 308.400 4.490 20 30 DIEDRO CC1(F)CC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000449371802 1045383587 /nfs/dbraw/zinc/38/35/87/1045383587.db2.gz YYQRBDBWTYFLPQ-UHFFFAOYSA-N 1 0 324.399 4.117 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)cc1 ZINC000449426359 1045392009 /nfs/dbraw/zinc/39/20/09/1045392009.db2.gz OWKZMQQYZYJYMI-DNVCBOLYSA-N 1 0 309.409 4.253 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000449452359 1045394410 /nfs/dbraw/zinc/39/44/10/1045394410.db2.gz FTYPALOCHVFHHE-HYXAFXHYSA-N 1 0 321.262 4.382 20 30 DIEDRO C=C(C)CC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000449479492 1045398765 /nfs/dbraw/zinc/39/87/65/1045398765.db2.gz VEXSDGUWQXDQNN-UHFFFAOYSA-N 1 0 322.861 4.431 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000449493933 1045400484 /nfs/dbraw/zinc/40/04/84/1045400484.db2.gz MKHHNQGYKUCZLY-AOCRQIFASA-N 1 0 318.411 4.416 20 30 DIEDRO C=CCC1([NH2+]Cc2nccn2Cc2ccccc2)CCCCC1 ZINC000449575491 1045416183 /nfs/dbraw/zinc/41/61/83/1045416183.db2.gz MLYDCMXFPQIBJD-UHFFFAOYSA-N 1 0 309.457 4.300 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CCCC1 ZINC000449607927 1045418290 /nfs/dbraw/zinc/41/82/90/1045418290.db2.gz ZUQPGYOLYCVMRA-UHFFFAOYSA-N 1 0 313.470 4.431 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)ccc1C#N ZINC000441342786 1045426436 /nfs/dbraw/zinc/42/64/36/1045426436.db2.gz ULDPLGXURBACRD-QFBILLFUSA-N 1 0 324.399 4.132 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cccc(CC#N)c2)C1 ZINC000449692616 1045427132 /nfs/dbraw/zinc/42/71/32/1045427132.db2.gz BPTPKVMJAWERLG-OXQOHEQNSA-N 1 0 305.425 4.000 20 30 DIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2cccc(CC#N)c2)CC1 ZINC000449703299 1045429711 /nfs/dbraw/zinc/42/97/11/1045429711.db2.gz UJICPGSDLFVYTO-OXJNMPFZSA-N 1 0 311.473 4.208 20 30 DIEDRO N#Cc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2F)s1 ZINC000449737703 1045432954 /nfs/dbraw/zinc/43/29/54/1045432954.db2.gz ZRFUEABXAQFGFY-MRXNPFEDSA-N 1 0 304.365 4.235 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CC(C)(C)CCC#N)C2)c1 ZINC000449757028 1045434611 /nfs/dbraw/zinc/43/46/11/1045434611.db2.gz QVFVDXTXBYGVIM-QAQDUYKDSA-N 1 0 300.446 4.203 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)o1 ZINC000449773440 1045435847 /nfs/dbraw/zinc/43/58/47/1045435847.db2.gz NDDSRNWQLJYPSJ-ZFWWWQNUSA-N 1 0 300.789 4.231 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(C)=O)cc1 ZINC000450262043 1045481548 /nfs/dbraw/zinc/48/15/48/1045481548.db2.gz QRVUGELVZCRBFI-UHFFFAOYSA-N 1 0 306.409 4.173 20 30 DIEDRO C=CCC1(C(=O)N2CCC(CCC[NH+](C)C)CC2)CCCCC1 ZINC000450325437 1045490506 /nfs/dbraw/zinc/49/05/06/1045490506.db2.gz UHSPKYMQTAZAHY-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO N#CCC[C@H](C#N)CN[C@H](c1cccs1)c1ccc(F)cc1 ZINC001120661269 1045540935 /nfs/dbraw/zinc/54/09/35/1045540935.db2.gz ODTNZJLKKYSTGT-DYVFJYSZSA-N 1 0 313.401 4.010 20 30 DIEDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450721619 1045549143 /nfs/dbraw/zinc/54/91/43/1045549143.db2.gz XOVRPZLTFGGJTH-MGPUTAFESA-N 1 0 308.425 4.037 20 30 DIEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000450730159 1045554152 /nfs/dbraw/zinc/55/41/52/1045554152.db2.gz VPKBSIJHKOJFDG-OLZOCXBDSA-N 1 0 310.363 4.481 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1ncc(Br)s1 ZINC000381379321 1045565383 /nfs/dbraw/zinc/56/53/83/1045565383.db2.gz KBIAFZQNKVROTL-UHFFFAOYSA-N 1 0 303.269 4.132 20 30 DIEDRO CC[N@H+](Cc1cnc(C2CC2)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000119879955 1045581413 /nfs/dbraw/zinc/58/14/13/1045581413.db2.gz ZLVZERZQVSXGKL-CYBMUJFWSA-N 1 0 311.454 4.475 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1CC2CCC1CC2 ZINC000381917195 1045585507 /nfs/dbraw/zinc/58/55/07/1045585507.db2.gz NUZRZEIBBMSYBA-LNNKSZCZSA-N 1 0 312.457 4.454 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC001168126193 1045598328 /nfs/dbraw/zinc/59/83/28/1045598328.db2.gz ONJIGZUFNXWWJM-NRFANRHFSA-N 1 0 309.453 4.497 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)ccc1F ZINC000751503761 1045609075 /nfs/dbraw/zinc/60/90/75/1045609075.db2.gz BQZKCBPUTNCDHJ-HUUCEWRRSA-N 1 0 312.388 4.276 20 30 DIEDRO C#CCCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000800412352 1045616800 /nfs/dbraw/zinc/61/68/00/1045616800.db2.gz WPOPBMPKQNKBQJ-UHFFFAOYSA-N 1 0 306.247 4.042 20 30 DIEDRO CN(CC[NH2+][C@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000451059138 1045618907 /nfs/dbraw/zinc/61/89/07/1045618907.db2.gz CAIPULGPYVUSQT-OAQYLSRUSA-N 1 0 321.468 4.143 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000900307770 1045625280 /nfs/dbraw/zinc/62/52/80/1045625280.db2.gz SXVWCWBSXGDSMM-UHFFFAOYSA-N 1 0 302.462 4.380 20 30 DIEDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000451147901 1045632816 /nfs/dbraw/zinc/63/28/16/1045632816.db2.gz PLGFQAUFHWWPIF-DMDPSCGWSA-N 1 0 314.326 4.249 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cc1 ZINC000190963089 1045635254 /nfs/dbraw/zinc/63/52/54/1045635254.db2.gz LUMZLIOSHRZNRK-UWJYYQICSA-N 1 0 320.436 4.067 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000800524331 1045639413 /nfs/dbraw/zinc/63/94/13/1045639413.db2.gz GYKNHGWPQWDDTJ-GFCCVEGCSA-N 1 0 323.462 4.031 20 30 DIEDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000751932609 1045641615 /nfs/dbraw/zinc/64/16/15/1045641615.db2.gz PQFAKRXXSGQZIM-VQTJNVASSA-N 1 0 320.436 4.281 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)cc1 ZINC000752060921 1045654760 /nfs/dbraw/zinc/65/47/60/1045654760.db2.gz UKKIAAFPVBSGRW-UHFFFAOYSA-N 1 0 317.367 4.049 20 30 DIEDRO N#CCOc1ccc(C[NH+]2CCC(c3cccc(F)c3)CC2)cc1 ZINC000752090144 1045658606 /nfs/dbraw/zinc/65/86/06/1045658606.db2.gz UBKISRMBWSUKMQ-UHFFFAOYSA-N 1 0 324.399 4.108 20 30 DIEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000451291417 1045659178 /nfs/dbraw/zinc/65/91/78/1045659178.db2.gz ONDACRDBEFAXAI-LJQANCHMSA-N 1 0 324.428 4.009 20 30 DIEDRO C=C(Br)C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000779401334 1045667739 /nfs/dbraw/zinc/66/77/39/1045667739.db2.gz UFTDJXPGDOAMDL-OAHLLOKOSA-N 1 0 310.210 4.260 20 30 DIEDRO CCCCCCCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752313371 1045672308 /nfs/dbraw/zinc/67/23/08/1045672308.db2.gz LPVOZQCSAXCZPB-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)c1 ZINC000800975265 1045674908 /nfs/dbraw/zinc/67/49/08/1045674908.db2.gz ZGPHLFMLXFUDBY-ZHALLVOQSA-N 1 0 318.436 4.376 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C)cc1O ZINC000800990367 1045677521 /nfs/dbraw/zinc/67/75/21/1045677521.db2.gz OMZMFLQQATZJKT-QGZVFWFLSA-N 1 0 314.816 4.467 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000800990800 1045677545 /nfs/dbraw/zinc/67/75/45/1045677545.db2.gz SMGWGYDFMHWMHY-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000800990808 1045677793 /nfs/dbraw/zinc/67/77/93/1045677793.db2.gz SMGWGYDFMHWMHY-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000800990687 1045678212 /nfs/dbraw/zinc/67/82/12/1045678212.db2.gz RMQMSYHYLWZSHZ-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO C#CC[C@H]([NH2+]C[C@@H](OC)c1ccc(Cl)cc1)c1ccccc1 ZINC000801528206 1045731696 /nfs/dbraw/zinc/73/16/96/1045731696.db2.gz GFBFKWJGWZQKLM-RBUKOAKNSA-N 1 0 313.828 4.382 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000451871068 1045741012 /nfs/dbraw/zinc/74/10/12/1045741012.db2.gz QTRGLGGWECADFY-KXBFYZLASA-N 1 0 305.425 4.180 20 30 DIEDRO CC1(C)C[N@H+](Cc2cc(C#N)cs2)CC[C@@H]1C(F)(F)F ZINC000191661391 1045745201 /nfs/dbraw/zinc/74/52/01/1045745201.db2.gz BIESGLMFZWCOPV-LBPRGKRZSA-N 1 0 302.365 4.030 20 30 DIEDRO CCCC[N@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1O ZINC000801595662 1045748171 /nfs/dbraw/zinc/74/81/71/1045748171.db2.gz HYAHMDSUYCBLHJ-UHFFFAOYSA-N 1 0 308.425 4.261 20 30 DIEDRO CC1CC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000530968210 1045763767 /nfs/dbraw/zinc/76/37/67/1045763767.db2.gz WZOXYEFWKIDSJI-UHFFFAOYSA-N 1 0 306.409 4.025 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452056962 1045768785 /nfs/dbraw/zinc/76/87/85/1045768785.db2.gz FUCZKEISJXFYGB-MRXNPFEDSA-N 1 0 320.502 4.261 20 30 DIEDRO Cc1cccc([C@@H]2CC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000753591423 1045771084 /nfs/dbraw/zinc/77/10/84/1045771084.db2.gz PZLBZMUMLIJKOC-YLJYHZDGSA-N 1 0 320.436 4.275 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)ccc1OC ZINC000753677908 1045789558 /nfs/dbraw/zinc/78/95/58/1045789558.db2.gz BADNFZRUNYJQFZ-HZPDHXFCSA-N 1 0 316.445 4.044 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CCc2c1c(F)ccc2F)c1ccncc1 ZINC000753857719 1045811517 /nfs/dbraw/zinc/81/15/17/1045811517.db2.gz ICTLEIHYUZHTBB-IAGOWNOFSA-N 1 0 300.352 4.254 20 30 DIEDRO CC[N@H+](CCO[C@H](C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000801914613 1045835139 /nfs/dbraw/zinc/83/51/39/1045835139.db2.gz ZACUTSULTXSLDY-CHWSQXEVSA-N 1 0 314.351 4.017 20 30 DIEDRO CC(C)[N@H+](CCO[C@@H](C)C#N)Cc1ccc(Cl)c(Cl)c1 ZINC000801912883 1045835756 /nfs/dbraw/zinc/83/57/56/1045835756.db2.gz HMKFRLNTOIQTMN-LBPRGKRZSA-N 1 0 315.244 4.132 20 30 DIEDRO C[C@@H](C#N)OCC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000801918811 1045836099 /nfs/dbraw/zinc/83/60/99/1045836099.db2.gz ZPEZRSQNWRGTJV-AWEZNQCLSA-N 1 0 306.837 4.013 20 30 DIEDRO CC(C)c1ccc([C@@H]2CCCC[N@@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801935510 1045853090 /nfs/dbraw/zinc/85/30/90/1045853090.db2.gz GJXFLYKGWFQTMW-LPHOPBHVSA-N 1 0 300.446 4.266 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000801940003 1045853307 /nfs/dbraw/zinc/85/33/07/1045853307.db2.gz TYEQNVPQLQYDOZ-CZUORRHYSA-N 1 0 308.853 4.336 20 30 DIEDRO C=CC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000531537069 1045865409 /nfs/dbraw/zinc/86/54/09/1045865409.db2.gz MGDVSDCMXVEBGY-MRXNPFEDSA-N 1 0 302.215 4.314 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000631624870 1045888511 /nfs/dbraw/zinc/88/85/11/1045888511.db2.gz KESZBTFKWXUNMO-SYNHAJSKSA-N 1 0 312.457 4.060 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000631679236 1045902340 /nfs/dbraw/zinc/90/23/40/1045902340.db2.gz FKJHEKZWTPGSCR-ZDUSSCGKSA-N 1 0 310.507 4.283 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000531715911 1045906206 /nfs/dbraw/zinc/90/62/06/1045906206.db2.gz ZKIYKLLVXAGUSP-YJBOKZPZSA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)s1 ZINC000754677511 1045909713 /nfs/dbraw/zinc/90/97/13/1045909713.db2.gz WIRMCXFZLVPCMF-AWEZNQCLSA-N 1 0 300.427 4.048 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCCCCCC2)c(Br)c1 ZINC001137637856 1045914304 /nfs/dbraw/zinc/91/43/04/1045914304.db2.gz AQENUSAXBCAECN-UHFFFAOYSA-N 1 0 307.235 4.087 20 30 DIEDRO CCCC[N@H+](CCC)Cc1ccc(C#N)cc1Br ZINC001137636793 1045914556 /nfs/dbraw/zinc/91/45/56/1045914556.db2.gz NLJTXXCOXNTUAL-UHFFFAOYSA-N 1 0 309.251 4.333 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2C)c(C#N)c1 ZINC001137699676 1045937522 /nfs/dbraw/zinc/93/75/22/1045937522.db2.gz PPTIJPAVFIECBX-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO COc1ccc(C[N@H+](C)C(C)(C)Cc2ccccc2)c(C#N)c1 ZINC001137705940 1045941526 /nfs/dbraw/zinc/94/15/26/1045941526.db2.gz IARBJGKEHKENBO-UHFFFAOYSA-N 1 0 308.425 4.020 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001258228732 1045941919 /nfs/dbraw/zinc/94/19/19/1045941919.db2.gz JWMVJQIWSDGWPT-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000755040114 1045946801 /nfs/dbraw/zinc/94/68/01/1045946801.db2.gz JGXCVJDDVQCYLS-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000192943747 1045954614 /nfs/dbraw/zinc/95/46/14/1045954614.db2.gz GRCKULBJXJGOQX-IAGOWNOFSA-N 1 0 308.425 4.261 20 30 DIEDRO Cc1ccc([C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000192943772 1045954674 /nfs/dbraw/zinc/95/46/74/1045954674.db2.gz UUOIVJYDHMWBHU-HXUWFJFHSA-N 1 0 306.409 4.138 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCC[C@H]2CC)c1 ZINC000779642188 1045960365 /nfs/dbraw/zinc/96/03/65/1045960365.db2.gz ODWQMPMFVWXYDC-LMMKCTJWSA-N 1 0 300.446 4.426 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(C)n1-c1ccccc1 ZINC001137857588 1045987701 /nfs/dbraw/zinc/98/77/01/1045987701.db2.gz JLDRELJYSYFZGN-SFHVURJKSA-N 1 0 307.441 4.220 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3c(F)cccc31)CC2 ZINC000453223803 1045993207 /nfs/dbraw/zinc/99/32/07/1045993207.db2.gz BDOWGLSJBMDOCJ-VQTJNVASSA-N 1 0 306.384 4.352 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3c(F)cc(F)cc31)CC2 ZINC000453236405 1045998727 /nfs/dbraw/zinc/99/87/27/1045998727.db2.gz NSVIEHSGOHHYSG-UXHICEINSA-N 1 0 324.374 4.491 20 30 DIEDRO CC[C@H](C)C=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000755595612 1045999422 /nfs/dbraw/zinc/99/94/22/1045999422.db2.gz ZOOARSRCKBTEHX-NSHDSACASA-N 1 0 308.838 4.104 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1 ZINC001137902536 1046004357 /nfs/dbraw/zinc/00/43/57/1046004357.db2.gz HHMYNNTTWXJKQT-SFHVURJKSA-N 1 0 323.415 4.260 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C[C@@H]1F ZINC001137899628 1046004749 /nfs/dbraw/zinc/00/47/49/1046004749.db2.gz AWYOWUBIBVIGAP-QRWLVFNGSA-N 1 0 323.415 4.116 20 30 DIEDRO C#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000829778895 1046007712 /nfs/dbraw/zinc/00/77/12/1046007712.db2.gz JWIUURCUIDYMNQ-CYBMUJFWSA-N 1 0 302.468 4.107 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2ccncc2)cc1 ZINC000453291629 1046018771 /nfs/dbraw/zinc/01/87/71/1046018771.db2.gz MJLFDNRITWLRIE-FTRWYGJKSA-N 1 0 305.425 4.482 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccn1 ZINC000453299359 1046022024 /nfs/dbraw/zinc/02/20/24/1046022024.db2.gz XSYYWTWPRHJKNT-LJQANCHMSA-N 1 0 319.452 4.288 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)cc1C#N ZINC000080339737 1046026007 /nfs/dbraw/zinc/02/60/07/1046026007.db2.gz CPIJDKQBFFQBHV-RNODOKPDSA-N 1 0 324.399 4.119 20 30 DIEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000453322516 1046038129 /nfs/dbraw/zinc/03/81/29/1046038129.db2.gz RDDKJTOWFGMHOA-OAHLLOKOSA-N 1 0 303.450 4.177 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCCC1(F)F ZINC000453325970 1046039750 /nfs/dbraw/zinc/03/97/50/1046039750.db2.gz XNTZJMCMYIWZMX-NVXWUHKLSA-N 1 0 304.384 4.351 20 30 DIEDRO Cc1ccc2nc(C)cc(OCCCC3(C#N)CCOCC3)c2c1 ZINC000902692912 1046046501 /nfs/dbraw/zinc/04/65/01/1046046501.db2.gz GSLNQWIONMVOKZ-UHFFFAOYSA-N 1 0 324.424 4.331 20 30 DIEDRO COc1ccc(F)c(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001137996340 1046048843 /nfs/dbraw/zinc/04/88/43/1046048843.db2.gz JEZRHACNVIHPLI-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000756081823 1046049361 /nfs/dbraw/zinc/04/93/61/1046049361.db2.gz YICPDOVEHTXTSS-KBPBESRZSA-N 1 0 313.363 4.470 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000902726702 1046053075 /nfs/dbraw/zinc/05/30/75/1046053075.db2.gz UCLUTVOYIHBOAY-KRWDZBQOSA-N 1 0 316.351 4.401 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(C)ccc1OC ZINC000453382163 1046059562 /nfs/dbraw/zinc/05/95/62/1046059562.db2.gz LSEUQTOPEJVGRP-GOSISDBHSA-N 1 0 312.388 4.255 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000902765975 1046064030 /nfs/dbraw/zinc/06/40/30/1046064030.db2.gz DHDJLYRIMVLXIM-UGSOOPFHSA-N 1 0 309.369 4.268 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000902766570 1046067121 /nfs/dbraw/zinc/06/71/21/1046067121.db2.gz NFMMYCXBKKNXBC-RYGJVYDSSA-N 1 0 312.457 4.194 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(COC(C)(C)C)c1)c1cc(C#N)ccn1 ZINC000902786319 1046070198 /nfs/dbraw/zinc/07/01/98/1046070198.db2.gz LZYJNIKLJIRFRJ-OAHLLOKOSA-N 1 0 323.440 4.119 20 30 DIEDRO C=CCC1(C[NH2+]C2CCC(c3nc(C)no3)CC2)CCCC1 ZINC000453371609 1046071184 /nfs/dbraw/zinc/07/11/84/1046071184.db2.gz NWBNPBVNTKMEFX-UHFFFAOYSA-N 1 0 303.450 4.130 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)c1ccncc1 ZINC000902805531 1046074176 /nfs/dbraw/zinc/07/41/76/1046074176.db2.gz AXDCKZNSOJZYNZ-LRDDRELGSA-N 1 0 321.346 4.463 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(F)c(COC)c1)c1cccc(C#N)c1 ZINC000902808718 1046074564 /nfs/dbraw/zinc/07/45/64/1046074564.db2.gz LTTFYHSEKNEUEH-LJQANCHMSA-N 1 0 312.388 4.085 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000453379291 1046076373 /nfs/dbraw/zinc/07/63/73/1046076373.db2.gz YXYPTIKILRRHGX-YSGRDPCXSA-N 1 0 308.425 4.133 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccco1 ZINC000453401143 1046077582 /nfs/dbraw/zinc/07/75/82/1046077582.db2.gz YYTWJRVXRWIWPF-HHXXYDBFSA-N 1 0 312.413 4.192 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c2ccccc12 ZINC001138060352 1046080651 /nfs/dbraw/zinc/08/06/51/1046080651.db2.gz YUTDKLOGSITDSX-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+]CC3(C4CCC4)CCC3)CC2)cc1 ZINC000453391427 1046081074 /nfs/dbraw/zinc/08/10/74/1046081074.db2.gz HMLLYNCOERQPLU-UHFFFAOYSA-N 1 0 323.484 4.087 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCc1c(C)noc1C)[C@]1(C)CCCCO1 ZINC000902839276 1046082561 /nfs/dbraw/zinc/08/25/61/1046082561.db2.gz PYARGSNZQQKNCV-OALUTQOASA-N 1 0 320.477 4.108 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccccc1)c1cccc(C#N)c1 ZINC000902847496 1046084658 /nfs/dbraw/zinc/08/46/58/1046084658.db2.gz GQIIBUWNYBXLQU-UIAACRFSSA-N 1 0 308.425 4.111 20 30 DIEDRO C#C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001138080042 1046084954 /nfs/dbraw/zinc/08/49/54/1046084954.db2.gz MIUPPIXKHMLLMH-SFHVURJKSA-N 1 0 305.421 4.111 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1cccs1)c1cccc(C#N)c1 ZINC000902848635 1046085721 /nfs/dbraw/zinc/08/57/21/1046085721.db2.gz UVCRRSPDYJJDRC-RRQGHBQHSA-N 1 0 314.454 4.173 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)c1cc(C#N)ccn1 ZINC000902858120 1046088854 /nfs/dbraw/zinc/08/88/54/1046088854.db2.gz XFONWWBVJJBJBM-HNNXBMFYSA-N 1 0 321.424 4.125 20 30 DIEDRO CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902886926 1046099742 /nfs/dbraw/zinc/09/97/42/1046099742.db2.gz WPVGLQMUHBPJTG-HOCLYGCPSA-N 1 0 311.454 4.175 20 30 DIEDRO CC[C@@H](CSc1ccccc1)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902886927 1046100164 /nfs/dbraw/zinc/10/01/64/1046100164.db2.gz WPVGLQMUHBPJTG-ZBFHGGJFSA-N 1 0 311.454 4.175 20 30 DIEDRO CC[C@H](CSc1ccccc1)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902886924 1046100803 /nfs/dbraw/zinc/10/08/03/1046100803.db2.gz WPVGLQMUHBPJTG-GDBMZVCRSA-N 1 0 311.454 4.175 20 30 DIEDRO CCCCCn1cc(C[NH2+][C@H](CC)c2cccc(C#N)c2)c(C)n1 ZINC000902890949 1046101719 /nfs/dbraw/zinc/10/17/19/1046101719.db2.gz KHSADCOXICEAFC-HXUWFJFHSA-N 1 0 324.472 4.494 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1cccc(C#N)c1 ZINC000902890586 1046101913 /nfs/dbraw/zinc/10/19/13/1046101913.db2.gz ANSXCQUMRDUGGX-GOSISDBHSA-N 1 0 323.440 4.371 20 30 DIEDRO CCCCCn1cc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)c(C)n1 ZINC000902890948 1046102667 /nfs/dbraw/zinc/10/26/67/1046102667.db2.gz KHSADCOXICEAFC-FQEVSTJZSA-N 1 0 324.472 4.494 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccncc1 ZINC000756582941 1046103910 /nfs/dbraw/zinc/10/39/10/1046103910.db2.gz LMHBTXQHKKARMK-VBNZEHGJSA-N 1 0 312.388 4.382 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccncc1 ZINC000756585810 1046104552 /nfs/dbraw/zinc/10/45/52/1046104552.db2.gz YZKMUONIOHBKAH-LRDDRELGSA-N 1 0 302.805 4.409 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cccc(C#N)c1 ZINC000756624205 1046112071 /nfs/dbraw/zinc/11/20/71/1046112071.db2.gz DOVIQGYVGXTRPY-XHBSWPGZSA-N 1 0 310.372 4.302 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](CCOC)c1ccc(C)o1)c1cccc(C#N)c1 ZINC000902943274 1046119198 /nfs/dbraw/zinc/11/91/98/1046119198.db2.gz XRCJFDOHWOZWFJ-MSOLQXFVSA-N 1 0 312.413 4.278 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000756710576 1046121377 /nfs/dbraw/zinc/12/13/77/1046121377.db2.gz ZKLCZRDQWYTLKM-NVXWUHKLSA-N 1 0 324.424 4.232 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)c1nccs1)[C@]1(C)CCCCO1 ZINC000902951294 1046125030 /nfs/dbraw/zinc/12/50/30/1046125030.db2.gz MZOWNGBZCXCXMN-VYDXJSESSA-N 1 0 308.491 4.130 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)CC2 ZINC000902962306 1046128411 /nfs/dbraw/zinc/12/84/11/1046128411.db2.gz FNQKGQHCVOLRBE-AUUYWEPGSA-N 1 0 305.425 4.415 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)c1ccccc1 ZINC000756776877 1046132376 /nfs/dbraw/zinc/13/23/76/1046132376.db2.gz UGRPRWSOGGLAIB-RRQGHBQHSA-N 1 0 309.384 4.434 20 30 DIEDRO N#CCC1(C[NH2+][C@H](CCc2ccccc2)c2cccnc2)CC1 ZINC000902979637 1046135121 /nfs/dbraw/zinc/13/51/21/1046135121.db2.gz UMAUWVUNXNEPOM-LJQANCHMSA-N 1 0 305.425 4.039 20 30 DIEDRO C=CCC[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@]1(C)CCCCO1 ZINC000902980728 1046136001 /nfs/dbraw/zinc/13/60/01/1046136001.db2.gz BLLRLPOEXVJVOH-WZOJCFFYSA-N 1 0 304.478 4.200 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC000903001805 1046138856 /nfs/dbraw/zinc/13/88/56/1046138856.db2.gz XOOJHFTUDDJMTJ-UGSOOPFHSA-N 1 0 309.369 4.268 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)c1cc(C#N)ccn1 ZINC000903006454 1046139748 /nfs/dbraw/zinc/13/97/48/1046139748.db2.gz IBCDIQFYZUZMQT-UBHSHLNASA-N 1 0 311.351 4.115 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccccc1 ZINC000756996172 1046157653 /nfs/dbraw/zinc/15/76/53/1046157653.db2.gz OVCNXNPPXKMENT-CQSZACIVSA-N 1 0 320.255 4.365 20 30 DIEDRO CCO[C@@H]1CCC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000903000468 1046139904 /nfs/dbraw/zinc/13/99/04/1046139904.db2.gz KPWCAINFUPDKPK-OTWHNJEPSA-N 1 0 300.446 4.359 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(OC)c(Br)c1 ZINC001138296315 1046140307 /nfs/dbraw/zinc/14/03/07/1046140307.db2.gz IVRKNAKZZHNCGF-UHFFFAOYSA-N 1 0 312.251 4.246 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cccc(C#N)c1 ZINC000903024116 1046144846 /nfs/dbraw/zinc/14/48/46/1046144846.db2.gz VCSPOIJGIOLJFI-DLBZAZTESA-N 1 0 300.471 4.132 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2c1c(F)ccc2O ZINC000756857464 1046145666 /nfs/dbraw/zinc/14/56/66/1046145666.db2.gz OMVBESSRJQMVML-MLGOLLRUSA-N 1 0 322.383 4.230 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903047854 1046147459 /nfs/dbraw/zinc/14/74/59/1046147459.db2.gz FMFODDYEYOSVOV-NSHDSACASA-N 1 0 304.381 4.060 20 30 DIEDRO C#CC[N@H+](Cc1ccc(OCc2ccncc2)cc1)C1CCCC1 ZINC000756911029 1046151691 /nfs/dbraw/zinc/15/16/91/1046151691.db2.gz IFURCTIOQIZRSX-UHFFFAOYSA-N 1 0 320.436 4.038 20 30 DIEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)[C@H](C)C1 ZINC001138336045 1046152666 /nfs/dbraw/zinc/15/26/66/1046152666.db2.gz IMJUPWFRTDMTHK-XMSQKQJNSA-N 1 0 319.448 4.086 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000779880327 1046152955 /nfs/dbraw/zinc/15/29/55/1046152955.db2.gz YZUAAAITFGEWGY-UHFFFAOYSA-N 1 0 320.392 4.417 20 30 DIEDRO C[N@H+](Cc1ccc(C#Cc2ccccc2)cc1)C1CC(F)(F)C1 ZINC001138333744 1046153047 /nfs/dbraw/zinc/15/30/47/1046153047.db2.gz OHTRRRPZUHBVAF-UHFFFAOYSA-N 1 0 311.375 4.316 20 30 DIEDRO CC[N@H+](Cc1ccc(C#Cc2ccccc2)cc1)C1CCOCC1 ZINC001138335975 1046153515 /nfs/dbraw/zinc/15/35/15/1046153515.db2.gz FOLDVCKVAKXLIW-UHFFFAOYSA-N 1 0 319.448 4.087 20 30 DIEDRO CC[C@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1cccc(C#N)c1 ZINC000903072396 1046154382 /nfs/dbraw/zinc/15/43/82/1046154382.db2.gz KWWJFBBRAMNWDW-ICSRJNTNSA-N 1 0 321.424 4.154 20 30 DIEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C#N)ccn2)c2ccccc21 ZINC000903069211 1046154623 /nfs/dbraw/zinc/15/46/23/1046154623.db2.gz CXACTCBXEWIIFD-WNYOCNMUSA-N 1 0 305.425 4.488 20 30 DIEDRO CC[C@@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1cccc(C#N)c1 ZINC000903072397 1046154717 /nfs/dbraw/zinc/15/47/17/1046154717.db2.gz KWWJFBBRAMNWDW-QUCCMNQESA-N 1 0 321.424 4.154 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1cccc(C#N)c1 ZINC000903069828 1046154967 /nfs/dbraw/zinc/15/49/67/1046154967.db2.gz KGOWFFWNDQXASV-IFXJQAMLSA-N 1 0 324.424 4.377 20 30 DIEDRO C#CCOc1ccc(C[N@H+](CC)Cc2ccc(C)cc2)cc1OC ZINC001138346357 1046155084 /nfs/dbraw/zinc/15/50/84/1046155084.db2.gz BYTBBKDASXNTNK-UHFFFAOYSA-N 1 0 323.436 4.038 20 30 DIEDRO C#CCOc1ccc(C[N@@H+](C)[C@H](CC)c2ccccc2)cc1OC ZINC001138349386 1046155668 /nfs/dbraw/zinc/15/56/68/1046155668.db2.gz XFTDGNPIUJHPRL-LJQANCHMSA-N 1 0 323.436 4.290 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)c1ccccc1 ZINC000756997854 1046159824 /nfs/dbraw/zinc/15/98/24/1046159824.db2.gz OSPLBVGWOKUESH-NRFANRHFSA-N 1 0 306.453 4.387 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1cccc(Cl)c1 ZINC000903085807 1046161740 /nfs/dbraw/zinc/16/17/40/1046161740.db2.gz GWBBVJJPOULUBL-GOSISDBHSA-N 1 0 317.864 4.487 20 30 DIEDRO COc1cc2ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc2cc1OC ZINC000903101559 1046162425 /nfs/dbraw/zinc/16/24/25/1046162425.db2.gz IXQRAHWVTHXPCE-CYBMUJFWSA-N 1 0 312.413 4.057 20 30 DIEDRO CC(=O)OCc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000903103568 1046163655 /nfs/dbraw/zinc/16/36/55/1046163655.db2.gz KABMKPBTLRSQGR-HUUCEWRRSA-N 1 0 322.408 4.033 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cccc(C#N)c1 ZINC000903094771 1046164097 /nfs/dbraw/zinc/16/40/97/1046164097.db2.gz PUIKNXLISHEPMD-MOPGFXCFSA-N 1 0 312.457 4.338 20 30 DIEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000903109022 1046167952 /nfs/dbraw/zinc/16/79/52/1046167952.db2.gz KKRKMPSDEOSISQ-INIZCTEOSA-N 1 0 305.425 4.483 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000903119507 1046168431 /nfs/dbraw/zinc/16/84/31/1046168431.db2.gz KXMDGMPQLABNPK-XLIONFOSSA-N 1 0 321.424 4.003 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C)ncn1)c1cccc(Cl)c1 ZINC000903127718 1046169081 /nfs/dbraw/zinc/16/90/81/1046169081.db2.gz KORRKJFKHOREFH-QGZVFWFLSA-N 1 0 301.821 4.236 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(C)ncn1)c1cccc(Cl)c1 ZINC000903127717 1046170591 /nfs/dbraw/zinc/17/05/91/1046170591.db2.gz KORRKJFKHOREFH-KRWDZBQOSA-N 1 0 301.821 4.236 20 30 DIEDRO CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1cccc(C#N)c1 ZINC000903157024 1046178605 /nfs/dbraw/zinc/17/86/05/1046178605.db2.gz UMKTXQQRCPWJBR-ONQFOCNCSA-N 1 0 300.471 4.273 20 30 DIEDRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccc(C#N)cc1F ZINC000903160863 1046180800 /nfs/dbraw/zinc/18/08/00/1046180800.db2.gz VKNCVLUWBMQZBL-JZIBPQBNSA-N 1 0 304.434 4.022 20 30 DIEDRO CCOc1ccc2ccccc2c1C[NH+]1CCC(CC#N)CC1 ZINC001138444450 1046184883 /nfs/dbraw/zinc/18/48/83/1046184883.db2.gz RVAYSLDHJJDZIN-UHFFFAOYSA-N 1 0 308.425 4.364 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1C ZINC000903234980 1046201956 /nfs/dbraw/zinc/20/19/56/1046201956.db2.gz UMLHHEFCDBRZIL-AUUYWEPGSA-N 1 0 306.409 4.213 20 30 DIEDRO CC[C@H]([NH2+]CC(C)(C)C1CCOCC1)c1ccc(C#N)cc1 ZINC000903243999 1046205462 /nfs/dbraw/zinc/20/54/62/1046205462.db2.gz MBOOKTSMOXWECJ-SFHVURJKSA-N 1 0 300.446 4.052 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(Cl)c1OC)c1cccc(C#N)c1 ZINC000903247376 1046208959 /nfs/dbraw/zinc/20/89/59/1046208959.db2.gz VEBMWSQDLNGCOV-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(Cl)c1OC)c1cccc(C#N)c1 ZINC000903247377 1046209953 /nfs/dbraw/zinc/20/99/53/1046209953.db2.gz VEBMWSQDLNGCOV-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)cc1C#N ZINC000087822510 1046211383 /nfs/dbraw/zinc/21/13/83/1046211383.db2.gz MPYKYZABAQVZAW-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO N#CCC1(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)CC1 ZINC001168163215 1046217850 /nfs/dbraw/zinc/21/78/50/1046217850.db2.gz IBCOLJATUXQPNG-UHFFFAOYSA-N 1 0 300.421 4.307 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnn(CCF)c1)c1cccc(Cl)c1 ZINC000903273736 1046218528 /nfs/dbraw/zinc/21/85/28/1046218528.db2.gz CSLCIZVCNIDSJJ-KRWDZBQOSA-N 1 0 321.827 4.303 20 30 DIEDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198175 1046221644 /nfs/dbraw/zinc/22/16/44/1046221644.db2.gz SNWFUEGRJUMSTA-JXFKEZNVSA-N 1 0 320.436 4.225 20 30 DIEDRO C#CCOc1ccc(C[N@H+](Cc2ccccc2)C2CCC2)cc1 ZINC001138560679 1046224862 /nfs/dbraw/zinc/22/48/62/1046224862.db2.gz GXICTWDJUAQOJU-UHFFFAOYSA-N 1 0 305.421 4.253 20 30 DIEDRO C#CCOc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC001138559222 1046225101 /nfs/dbraw/zinc/22/51/01/1046225101.db2.gz HRQJOAHANOMHLA-UHFFFAOYSA-N 1 0 305.421 4.078 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000245501464 1046237337 /nfs/dbraw/zinc/23/73/37/1046237337.db2.gz CUPVYCVUQOETOP-HZPDHXFCSA-N 1 0 324.424 4.179 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@@H](C)Cc2ccc(Cl)cc2)cc1C ZINC001168169059 1046237531 /nfs/dbraw/zinc/23/75/31/1046237531.db2.gz XAEQEAXVYPHGNU-AWEZNQCLSA-N 1 0 300.833 4.293 20 30 DIEDRO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245503529 1046238196 /nfs/dbraw/zinc/23/81/96/1046238196.db2.gz IHAMHONTJXTJRP-LSDHHAIUSA-N 1 0 312.388 4.310 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@H](C)c2cccs2)cc1 ZINC000245540849 1046241402 /nfs/dbraw/zinc/24/14/02/1046241402.db2.gz NCIHMRMGPWLZEX-ZIAGYGMSSA-N 1 0 300.427 4.232 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1O ZINC001138629020 1046245776 /nfs/dbraw/zinc/24/57/76/1046245776.db2.gz LIFHHJPBNUANMI-SFHVURJKSA-N 1 0 307.437 4.185 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)c1O ZINC001138627661 1046245826 /nfs/dbraw/zinc/24/58/26/1046245826.db2.gz DSLPKNPVJIEWCS-FQEVSTJZSA-N 1 0 323.436 4.466 20 30 DIEDRO Cc1ccc2c(C)cc(N=NC3CCC[N@@H+](C)CC3)nc2c1C ZINC000758099998 1046246598 /nfs/dbraw/zinc/24/65/98/1046246598.db2.gz QFCCTUUXZMQNDZ-UHFFFAOYSA-N 1 0 310.445 4.044 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c1O ZINC001138629320 1046247378 /nfs/dbraw/zinc/24/73/78/1046247378.db2.gz UTCMSASNWGQTBI-FQEVSTJZSA-N 1 0 323.436 4.466 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1O ZINC001138629478 1046247589 /nfs/dbraw/zinc/24/75/89/1046247589.db2.gz ABCKWARNMORSBT-UHFFFAOYSA-N 1 0 303.421 4.225 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1O ZINC001138629321 1046247840 /nfs/dbraw/zinc/24/78/40/1046247840.db2.gz UTCMSASNWGQTBI-HXUWFJFHSA-N 1 0 323.436 4.466 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)c1O ZINC001138628992 1046247972 /nfs/dbraw/zinc/24/79/72/1046247972.db2.gz KHBADBSZLFLIQL-IBGZPJMESA-N 1 0 323.436 4.466 20 30 DIEDRO C=CCc1cccc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)c1O ZINC001138627731 1046248049 /nfs/dbraw/zinc/24/80/49/1046248049.db2.gz FBTVOTWFGFWWLF-OAHLLOKOSA-N 1 0 311.425 4.322 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000245630421 1046249471 /nfs/dbraw/zinc/24/94/71/1046249471.db2.gz ZUPCFOYTZVHDOW-JYYAWHABSA-N 1 0 323.864 4.425 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)c1ccc(C#N)cc1 ZINC000903405728 1046267011 /nfs/dbraw/zinc/26/70/11/1046267011.db2.gz QTQPTSLECWNCLW-FOIQADDNSA-N 1 0 322.456 4.357 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cnn(CC2CCC2)c1)c1ccc(C#N)cc1 ZINC000903405730 1046267277 /nfs/dbraw/zinc/26/72/77/1046267277.db2.gz QTQPTSLECWNCLW-QRWLVFNGSA-N 1 0 322.456 4.357 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1cccc(C#N)c1 ZINC000903406703 1046267815 /nfs/dbraw/zinc/26/78/15/1046267815.db2.gz YGHHFJSPUZMLDV-YWZLYKJASA-N 1 0 322.456 4.357 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000666238508 1046268381 /nfs/dbraw/zinc/26/83/81/1046268381.db2.gz CRXSWPDASCJEEZ-RHSMWYFYSA-N 1 0 322.408 4.371 20 30 DIEDRO CN(Cc1c(Cl)[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC001138687767 1046269512 /nfs/dbraw/zinc/26/95/12/1046269512.db2.gz XRELNXZWKSFUBY-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000758474596 1046274037 /nfs/dbraw/zinc/27/40/37/1046274037.db2.gz SVPQNXNLOZGVOI-HXUWFJFHSA-N 1 0 320.436 4.068 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CCC(C)(C)CC2)cc1 ZINC000758618965 1046280655 /nfs/dbraw/zinc/28/06/55/1046280655.db2.gz OEUSVVDHXKCEEY-HNNXBMFYSA-N 1 0 300.446 4.283 20 30 DIEDRO COc1cc(C)c(C[N@H+](C)Cc2ccc(C#N)cc2)c(C)c1C ZINC001138728755 1046280783 /nfs/dbraw/zinc/28/07/83/1046280783.db2.gz LIVOSGJHDKUDDR-UHFFFAOYSA-N 1 0 308.425 4.124 20 30 DIEDRO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903481511 1046283199 /nfs/dbraw/zinc/28/31/99/1046283199.db2.gz DXFALVGEIRZVGL-QGZVFWFLSA-N 1 0 311.816 4.247 20 30 DIEDRO CCCC[C@H](C)[NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000089632324 1046294201 /nfs/dbraw/zinc/29/42/01/1046294201.db2.gz QVMWXFCYWFPEHR-HOCLYGCPSA-N 1 0 304.434 4.044 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000246065804 1046298441 /nfs/dbraw/zinc/29/84/41/1046298441.db2.gz ROSHNAIGPSNKAY-NHCUHLMSSA-N 1 0 320.436 4.046 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C(C)(C)Cc2ccc(C)cc2)cc1 ZINC001202869530 1046306494 /nfs/dbraw/zinc/30/64/94/1046306494.db2.gz NXMLAEOLVQTWLA-UHFFFAOYSA-N 1 0 307.437 4.118 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc3c(c2)c2ccccc2n3C)CC1 ZINC001138918418 1046326944 /nfs/dbraw/zinc/32/69/44/1046326944.db2.gz DZHBTUVMGYURDW-UHFFFAOYSA-N 1 0 302.421 4.177 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000090046172 1046333650 /nfs/dbraw/zinc/33/36/50/1046333650.db2.gz QQZJSUMWHFMMBA-IHRRRGAJSA-N 1 0 301.459 4.456 20 30 DIEDRO CC(C)COc1ccc(CN2CCc3ccc(C#N)cc3C2)cc1 ZINC001138968037 1046344696 /nfs/dbraw/zinc/34/46/96/1046344696.db2.gz HMISKKPQDICIJA-UHFFFAOYSA-N 1 0 320.436 4.151 20 30 DIEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001139029898 1046364310 /nfs/dbraw/zinc/36/43/10/1046364310.db2.gz VEPQPAVNVNWYQN-QGZVFWFLSA-N 1 0 308.425 4.026 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)[C@@H]1CC1(F)F ZINC000639181003 1046365414 /nfs/dbraw/zinc/36/54/14/1046365414.db2.gz LZFQXTFGAFAJIM-RCOVLWMOSA-N 1 0 315.232 4.117 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC12CC[NH+](C)CC2 ZINC000748325118 1046367476 /nfs/dbraw/zinc/36/74/76/1046367476.db2.gz GUXRHQQBYQAMDO-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001139060883 1046371868 /nfs/dbraw/zinc/37/18/68/1046371868.db2.gz GIVLXTIUVMNZAV-UHFFFAOYSA-N 1 0 316.404 4.490 20 30 DIEDRO Fc1ccc(-c2cccc(C[NH+]3CCC(S)CC3)c2)cc1 ZINC001139067501 1046374909 /nfs/dbraw/zinc/37/49/09/1046374909.db2.gz QOZWJVGZYGAQAV-UHFFFAOYSA-N 1 0 301.430 4.387 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610830461 1046378768 /nfs/dbraw/zinc/37/87/68/1046378768.db2.gz VMSNCUQGDMAVCS-PMPSAXMXSA-N 1 0 308.425 4.410 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1OCC ZINC000052659679 1046383814 /nfs/dbraw/zinc/38/38/14/1046383814.db2.gz IRVDTACECQQWRO-OAHLLOKOSA-N 1 0 324.424 4.206 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000780526820 1046390805 /nfs/dbraw/zinc/39/08/05/1046390805.db2.gz IYAHYUZHDXVCDD-VQIMIIECSA-N 1 0 308.400 4.198 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780727708 1046400182 /nfs/dbraw/zinc/40/01/82/1046400182.db2.gz FFXYRWXHRBUMEY-XKQJLSEDSA-N 1 0 316.445 4.251 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)c1 ZINC000780729513 1046400548 /nfs/dbraw/zinc/40/05/48/1046400548.db2.gz XUEIWRHMKBZBCJ-HOJAQTOUSA-N 1 0 312.457 4.426 20 30 DIEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780727599 1046400584 /nfs/dbraw/zinc/40/05/84/1046400584.db2.gz DAMFXBFMDBISFN-GJZGRUSLSA-N 1 0 322.836 4.039 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665823 1046407418 /nfs/dbraw/zinc/40/74/18/1046407418.db2.gz MFCBNMXRCHNAJY-MOPGFXCFSA-N 1 0 306.409 4.317 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc2nsnc2c1 ZINC001139213489 1046414479 /nfs/dbraw/zinc/41/44/79/1046414479.db2.gz ZXBDXFNXGFVVOM-UHFFFAOYSA-N 1 0 309.438 4.270 20 30 DIEDRO CC(CCCC[NH+](C)C)=NOc1ccccc1C(F)(F)F ZINC000781126743 1046424672 /nfs/dbraw/zinc/42/46/72/1046424672.db2.gz DCPUYEBXQHDVPP-UHFFFAOYSA-N 1 0 302.340 4.192 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CC)c2c(C)noc2C)cc1 ZINC000090887367 1046427126 /nfs/dbraw/zinc/42/71/26/1046427126.db2.gz WSLLHWGGZOSYNG-UGSOOPFHSA-N 1 0 312.413 4.105 20 30 DIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001168223073 1046431390 /nfs/dbraw/zinc/43/13/90/1046431390.db2.gz SWUBPNDFNRGIQX-UHFFFAOYSA-N 1 0 320.436 4.121 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001254642178 1046433453 /nfs/dbraw/zinc/43/34/53/1046433453.db2.gz FFBQJLVQISGQSQ-NOZJJQNGSA-N 1 0 302.727 4.141 20 30 DIEDRO C=CC[N@H+](Cc1ccc(N2CCCCC2)nc1)C1CCCCC1 ZINC001139346092 1046434604 /nfs/dbraw/zinc/43/46/04/1046434604.db2.gz FNKGICXBJRBDCA-UHFFFAOYSA-N 1 0 313.489 4.393 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639889783 1046435351 /nfs/dbraw/zinc/43/53/51/1046435351.db2.gz JBGPEGMYXXLCKZ-OAHLLOKOSA-N 1 0 319.408 4.288 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC001139360600 1046437205 /nfs/dbraw/zinc/43/72/05/1046437205.db2.gz YHUIEEODHINCPH-UHFFFAOYSA-N 1 0 317.436 4.451 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400450 1046444049 /nfs/dbraw/zinc/44/40/49/1046444049.db2.gz SPMCDIXALIMJDQ-IYBDPMFKSA-N 1 0 305.425 4.383 20 30 DIEDRO C[N@H+](Cc1ccccc1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400526 1046444073 /nfs/dbraw/zinc/44/40/73/1046444073.db2.gz VLKVNGIXZDGFLD-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO Cc1cccc(OCCC[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000781422916 1046444051 /nfs/dbraw/zinc/44/40/51/1046444051.db2.gz NJZOCXOYCYHCQE-HNNXBMFYSA-N 1 0 312.388 4.126 20 30 DIEDRO C[C@H]1C[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CCC[C@@H]1C ZINC001139402532 1046444166 /nfs/dbraw/zinc/44/41/66/1046444166.db2.gz TYHFODVDAJRKBN-IRXDYDNUSA-N 1 0 319.452 4.488 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400449 1046444175 /nfs/dbraw/zinc/44/41/75/1046444175.db2.gz SPMCDIXALIMJDQ-HZPDHXFCSA-N 1 0 305.425 4.383 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000781427402 1046444188 /nfs/dbraw/zinc/44/41/88/1046444188.db2.gz PBXYQPTXTLQCOF-MEBBXXQBSA-N 1 0 315.417 4.191 20 30 DIEDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000781427404 1046444261 /nfs/dbraw/zinc/44/42/61/1046444261.db2.gz PBXYQPTXTLQCOF-ZUZCIYMTSA-N 1 0 315.417 4.191 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000781421892 1046444615 /nfs/dbraw/zinc/44/46/15/1046444615.db2.gz ILHAOFYKYNUJHY-FXRXJOCMSA-N 1 0 300.446 4.282 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001168243630 1046444947 /nfs/dbraw/zinc/44/49/47/1046444947.db2.gz JUTAYXQLRQGKMF-MAUKXSAKSA-N 1 0 323.436 4.078 20 30 DIEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425307 1046449164 /nfs/dbraw/zinc/44/91/64/1046449164.db2.gz IYFRADWXLYWONS-JKSUJKDBSA-N 1 0 321.424 4.366 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424293 1046449530 /nfs/dbraw/zinc/44/95/30/1046449530.db2.gz OVLUMKPVFZZCJN-HNNXBMFYSA-N 1 0 307.397 4.120 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C2(CC2)C1 ZINC001139429512 1046450212 /nfs/dbraw/zinc/45/02/12/1046450212.db2.gz YXUKQBXWXMRUMT-OAHLLOKOSA-N 1 0 319.408 4.120 20 30 DIEDRO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)CC1CCCC1 ZINC001139427731 1046451202 /nfs/dbraw/zinc/45/12/02/1046451202.db2.gz PSCHFKSVUWIWEJ-UHFFFAOYSA-N 1 0 321.424 4.368 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1F ZINC001139529476 1046462936 /nfs/dbraw/zinc/46/29/36/1046462936.db2.gz TYDQWPUAIGLCFP-SFHVURJKSA-N 1 0 308.400 4.467 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1ccc(C#N)c(F)c1 ZINC001139529403 1046463032 /nfs/dbraw/zinc/46/30/32/1046463032.db2.gz QOVNGKCJFXFKEP-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1Cl ZINC001139597061 1046482075 /nfs/dbraw/zinc/48/20/75/1046482075.db2.gz KZTZNCIXEYINDA-QKDCVEJESA-N 1 0 304.821 4.005 20 30 DIEDRO CC(C)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000781981314 1046490558 /nfs/dbraw/zinc/49/05/58/1046490558.db2.gz KCNRCJXZVSVPBV-CQSZACIVSA-N 1 0 306.837 4.110 20 30 DIEDRO N#CCC[N@H+](Cc1ccc(-c2cccnc2)cc1)C1CCCC1 ZINC001139644087 1046493213 /nfs/dbraw/zinc/49/32/13/1046493213.db2.gz SYCQWXKXIDNYOK-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CCC[C@H](c4ccccc4)C3)c[nH]c21 ZINC001139704937 1046501484 /nfs/dbraw/zinc/50/14/84/1046501484.db2.gz HPPZJOVZDIKHGZ-SFHVURJKSA-N 1 0 315.420 4.419 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccccc3C)CC2)cc1C#N ZINC001139722561 1046505077 /nfs/dbraw/zinc/50/50/77/1046505077.db2.gz BJMBGKMQRDGXCV-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1C#N ZINC001139729129 1046505662 /nfs/dbraw/zinc/50/56/62/1046505662.db2.gz PRCBKSXGYCPIAL-HXUWFJFHSA-N 1 0 308.400 4.213 20 30 DIEDRO Cc1ccc(C[N@@H+](C)Cc2cccc3cccnc32)cc1C#N ZINC001139726324 1046506468 /nfs/dbraw/zinc/50/64/68/1046506468.db2.gz IJLGDPRWYZMCLX-UHFFFAOYSA-N 1 0 301.393 4.047 20 30 DIEDRO CN(Cc1cc(Br)cs1)Cc1ccccc1C#N ZINC000047751951 1046506595 /nfs/dbraw/zinc/50/65/95/1046506595.db2.gz XJOGSDXGXFCINI-UHFFFAOYSA-N 1 0 321.243 4.014 20 30 DIEDRO Cc1ccccc1-c1cccc(C=NNCC[NH+]2CCCCC2)c1 ZINC000729636946 1046508605 /nfs/dbraw/zinc/50/86/05/1046508605.db2.gz DFYCPORRMLNYCA-UHFFFAOYSA-N 1 0 321.468 4.071 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000092483612 1046521054 /nfs/dbraw/zinc/52/10/54/1046521054.db2.gz XEDWZGFTMUPYDG-GJZGRUSLSA-N 1 0 310.397 4.296 20 30 DIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(F)cc(C#N)c1 ZINC001139875405 1046539189 /nfs/dbraw/zinc/53/91/89/1046539189.db2.gz LSJOUXCMOCPGFP-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(C#N)c2)c1 ZINC001139876458 1046540225 /nfs/dbraw/zinc/54/02/25/1046540225.db2.gz YYFUZHNSIQSQCO-LJQANCHMSA-N 1 0 310.372 4.043 20 30 DIEDRO C=CC[NH+](CC=C)Cc1c[nH]c2cccc(Br)c12 ZINC001139966827 1046559773 /nfs/dbraw/zinc/55/97/73/1046559773.db2.gz GJMFBSRSFXPJNC-UHFFFAOYSA-N 1 0 305.219 4.104 20 30 DIEDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000783295052 1046575794 /nfs/dbraw/zinc/57/57/94/1046575794.db2.gz YEWOBLPBMYZJPI-CVAIRZPRSA-N 1 0 305.425 4.015 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)nc1 ZINC000783299418 1046576849 /nfs/dbraw/zinc/57/68/49/1046576849.db2.gz BYMIQGNJLJPAQY-SJLPKXTDSA-N 1 0 311.816 4.033 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)cc1 ZINC000729682046 1046576812 /nfs/dbraw/zinc/57/68/12/1046576812.db2.gz SWGZKYMWWTWBJS-CABCVRRESA-N 1 0 312.388 4.010 20 30 DIEDRO COc1ccc([C@H](CCC(C)C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000783301651 1046577583 /nfs/dbraw/zinc/57/75/83/1046577583.db2.gz ZPDJJYJGFAYMFC-FQEVSTJZSA-N 1 0 323.440 4.229 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(SC(F)F)cc1 ZINC000783301330 1046577637 /nfs/dbraw/zinc/57/76/37/1046577637.db2.gz WESGUMRYWXPUJB-NSHDSACASA-N 1 0 319.380 4.119 20 30 DIEDRO C=CCC[N@@H+](Cc1[nH]nc2ccc(OC)cc21)Cc1ccccc1 ZINC001140068199 1046581234 /nfs/dbraw/zinc/58/12/34/1046581234.db2.gz AZAMRAKKBXTCEX-UHFFFAOYSA-N 1 0 321.424 4.150 20 30 DIEDRO CCCCC[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000783331505 1046582127 /nfs/dbraw/zinc/58/21/27/1046582127.db2.gz RVTUJZSOLQAVKQ-FAEJEUNOSA-N 1 0 315.461 4.202 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000783325741 1046582863 /nfs/dbraw/zinc/58/28/63/1046582863.db2.gz AJCSMQFJRJQQOX-ZACQAIPSSA-N 1 0 322.493 4.157 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)c2c1 ZINC001140109950 1046591431 /nfs/dbraw/zinc/59/14/31/1046591431.db2.gz BQMDJVQLOVYFIK-QGZVFWFLSA-N 1 0 301.393 4.029 20 30 DIEDRO Cc1ccc(CC[N@@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cc1 ZINC001140115222 1046594339 /nfs/dbraw/zinc/59/43/39/1046594339.db2.gz QYXWUVZDAQPFTK-UHFFFAOYSA-N 1 0 303.409 4.023 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000678239245 1046599538 /nfs/dbraw/zinc/59/95/38/1046599538.db2.gz XKDGCNSLENLSSB-OAQYLSRUSA-N 1 0 323.436 4.215 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(C)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC001140159745 1046603757 /nfs/dbraw/zinc/60/37/57/1046603757.db2.gz WILISRQBGGSUHN-HXUWFJFHSA-N 1 0 305.421 4.126 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(Br)c1OC)C(C)(C)C ZINC001140156248 1046604593 /nfs/dbraw/zinc/60/45/93/1046604593.db2.gz RJUUPSCYDCGSFA-UHFFFAOYSA-N 1 0 312.251 4.244 20 30 DIEDRO C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000783638250 1046616793 /nfs/dbraw/zinc/61/67/93/1046616793.db2.gz AOZTYSDGZOAUGQ-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Br)c(F)c1)C(C)(C)C ZINC001140214656 1046617749 /nfs/dbraw/zinc/61/77/49/1046617749.db2.gz QEXXSKNDEGFBGM-UHFFFAOYSA-N 1 0 300.215 4.375 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(C2CC2)cc1 ZINC000419334520 1046623138 /nfs/dbraw/zinc/62/31/38/1046623138.db2.gz IYXMTJYXWSFEBK-INIZCTEOSA-N 1 0 312.457 4.315 20 30 DIEDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093361761 1046626022 /nfs/dbraw/zinc/62/60/22/1046626022.db2.gz LQGBCRZPOXWFAR-MAUKXSAKSA-N 1 0 318.486 4.085 20 30 DIEDRO C=C(C)C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000783753157 1046630924 /nfs/dbraw/zinc/63/09/24/1046630924.db2.gz KBZVBFHFBCSZJV-UHFFFAOYSA-N 1 0 324.255 4.212 20 30 DIEDRO C=CC1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000532966075 1046631278 /nfs/dbraw/zinc/63/12/78/1046631278.db2.gz YLDTXLDOCMJBGH-UHFFFAOYSA-N 1 0 320.436 4.337 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203019095 1046635621 /nfs/dbraw/zinc/63/56/21/1046635621.db2.gz BKMPZWUSLJTZHQ-UHFFFAOYSA-N 1 0 316.448 4.233 20 30 DIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000093868667 1046641359 /nfs/dbraw/zinc/64/13/59/1046641359.db2.gz NRAHBHNNUMPENG-QILLFSRXSA-N 1 0 318.486 4.083 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2sccc21 ZINC000834639801 1046643646 /nfs/dbraw/zinc/64/36/46/1046643646.db2.gz BYUALFFUWUDADE-DYVFJYSZSA-N 1 0 312.438 4.379 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)c2ccncc2)c1 ZINC000834650642 1046644904 /nfs/dbraw/zinc/64/49/04/1046644904.db2.gz OQZCUKQTNJQSBB-MJGOQNOKSA-N 1 0 309.413 4.003 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)c3ccsc32)cc1C#N ZINC000834689706 1046649766 /nfs/dbraw/zinc/64/97/66/1046649766.db2.gz RFPYAUZXPJNIGI-BLLLJJGKSA-N 1 0 312.438 4.357 20 30 DIEDRO C[C@@]1(C#N)CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000784014886 1046650203 /nfs/dbraw/zinc/65/02/03/1046650203.db2.gz SQYBHJBILXWJKI-FQEVSTJZSA-N 1 0 324.424 4.143 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)c3ccsc32)cc1C#N ZINC000834689708 1046650166 /nfs/dbraw/zinc/65/01/66/1046650166.db2.gz RFPYAUZXPJNIGI-MLGOLLRUSA-N 1 0 312.438 4.357 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248995526 1046655007 /nfs/dbraw/zinc/65/50/07/1046655007.db2.gz OVESALLMLMUCTI-IXKJSCDLSA-N 1 0 306.837 4.088 20 30 DIEDRO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000784159436 1046669111 /nfs/dbraw/zinc/66/91/11/1046669111.db2.gz PIQUZNMYVCCATO-LLGFUMIMSA-N 1 0 320.436 4.103 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000834819514 1046675863 /nfs/dbraw/zinc/67/58/63/1046675863.db2.gz XOCFIAAGDMALTC-GDBMZVCRSA-N 1 0 324.449 4.129 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000795788156 1046677014 /nfs/dbraw/zinc/67/70/14/1046677014.db2.gz GJQYHLSVEVZMJR-FQEVSTJZSA-N 1 0 318.420 4.050 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccccn2)cc1 ZINC001140381256 1046680854 /nfs/dbraw/zinc/68/08/54/1046680854.db2.gz SKSOORPCPLZTBU-LUPIEILUSA-N 1 0 303.409 4.015 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(OCC#N)cc1 ZINC000795829722 1046683415 /nfs/dbraw/zinc/68/34/15/1046683415.db2.gz HFEAYKALZZDZPB-DFGXFYAUSA-N 1 0 300.446 4.312 20 30 DIEDRO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000834840887 1046683960 /nfs/dbraw/zinc/68/39/60/1046683960.db2.gz NUVOCVHDEFCFIB-APWZRJJASA-N 1 0 320.436 4.360 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000834840889 1046684640 /nfs/dbraw/zinc/68/46/40/1046684640.db2.gz NUVOCVHDEFCFIB-QFBILLFUSA-N 1 0 320.436 4.360 20 30 DIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000533299132 1046692414 /nfs/dbraw/zinc/69/24/14/1046692414.db2.gz CIFKNNLHTSFYII-HOTGVXAUSA-N 1 0 302.462 4.425 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000678744295 1046693202 /nfs/dbraw/zinc/69/32/02/1046693202.db2.gz KKYKKKJJZUXIPY-IRXDYDNUSA-N 1 0 308.425 4.113 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000678737226 1046693654 /nfs/dbraw/zinc/69/36/54/1046693654.db2.gz MCSHLCNBLOXRAL-IRXDYDNUSA-N 1 0 320.436 4.391 20 30 DIEDRO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000678763557 1046694955 /nfs/dbraw/zinc/69/49/55/1046694955.db2.gz FDDRDNWUFLNAMN-CQSZACIVSA-N 1 0 322.408 4.010 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCCO)cc1 ZINC000834878103 1046694966 /nfs/dbraw/zinc/69/49/66/1046694966.db2.gz MQPGJGBTZKVQBU-LSDHHAIUSA-N 1 0 311.853 4.020 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)cc1 ZINC000834877209 1046695341 /nfs/dbraw/zinc/69/53/41/1046695341.db2.gz IBLBTTAIYHFLLZ-GQIGUUNPSA-N 1 0 321.420 4.262 20 30 DIEDRO COc1ccc(C#N)cc1CN(C)[C@@H](C)c1cc(F)ccc1F ZINC000533323451 1046696057 /nfs/dbraw/zinc/69/60/57/1046696057.db2.gz OXHSETNOBFRSGL-LBPRGKRZSA-N 1 0 316.351 4.038 20 30 DIEDRO CC(C)(C)c1cc(C[NH2+]CCCC#N)c(O)c(C(C)(C)C)c1 ZINC000784622059 1046700841 /nfs/dbraw/zinc/70/08/41/1046700841.db2.gz UGGGGFCYYXLETJ-UHFFFAOYSA-N 1 0 302.462 4.381 20 30 DIEDRO COC(C)(C)C[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000533342258 1046701523 /nfs/dbraw/zinc/70/15/23/1046701523.db2.gz QDWJCVXWJPFLGP-UHFFFAOYSA-N 1 0 308.425 4.082 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(C)CCC(F)(F)CC2)cc1 ZINC000784620913 1046701519 /nfs/dbraw/zinc/70/15/19/1046701519.db2.gz DOHWBUPFMGCFDB-CYBMUJFWSA-N 1 0 308.372 4.035 20 30 DIEDRO C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc(C#N)cc1F ZINC000834895037 1046706535 /nfs/dbraw/zinc/70/65/35/1046706535.db2.gz WVKZRXALFYMORA-HZMBPMFUSA-N 1 0 315.219 4.322 20 30 DIEDRO CN1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000246130511 1046713241 /nfs/dbraw/zinc/71/32/41/1046713241.db2.gz JPSJUERFWROORY-NVXWUHKLSA-N 1 0 319.518 4.051 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(N(C)C)cc1 ZINC000834902326 1046714212 /nfs/dbraw/zinc/71/42/12/1046714212.db2.gz GVENOEIVCKYFQD-LJQANCHMSA-N 1 0 311.404 4.004 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000533459600 1046730423 /nfs/dbraw/zinc/73/04/23/1046730423.db2.gz DJKSLEKTHXRBAQ-UHFFFAOYSA-N 1 0 310.397 4.105 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nccs1 ZINC001140453903 1046731482 /nfs/dbraw/zinc/73/14/82/1046731482.db2.gz QRWHPMJRCPOZFI-MKZZRHPPSA-N 1 0 309.438 4.077 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCc3ccc(C)cc32)cc(OC)c1O ZINC000678932391 1046738702 /nfs/dbraw/zinc/73/87/02/1046738702.db2.gz UXOLWSVIAKRLQP-LJQANCHMSA-N 1 0 323.436 4.215 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccco1 ZINC000796820733 1046741035 /nfs/dbraw/zinc/74/10/35/1046741035.db2.gz VYSLPPNSJCHJKT-CABCVRRESA-N 1 0 323.795 4.403 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000533538910 1046747411 /nfs/dbraw/zinc/74/74/11/1046747411.db2.gz OMJOTCMYCKHKQZ-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO C#CCOc1ccc(Nc2ccccc2C[NH+](CC)CC)cc1 ZINC001211995454 1046758330 /nfs/dbraw/zinc/75/83/30/1046758330.db2.gz CEQLNPJOCOXUHU-UHFFFAOYSA-N 1 0 308.425 4.284 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679025749 1046760075 /nfs/dbraw/zinc/76/00/75/1046760075.db2.gz UQJYOTNZFODPGM-BXWFABGCSA-N 1 0 321.468 4.191 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679025751 1046760764 /nfs/dbraw/zinc/76/07/64/1046760764.db2.gz UQJYOTNZFODPGM-FRQCXROJSA-N 1 0 321.468 4.191 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000797005966 1046770627 /nfs/dbraw/zinc/77/06/27/1046770627.db2.gz FFKOWNGABWLPND-MRXNPFEDSA-N 1 0 311.425 4.425 20 30 DIEDRO C=C(C[NH2+]Cc1conc1Cc1ccccc1)c1ccccc1 ZINC000645150860 1046770735 /nfs/dbraw/zinc/77/07/35/1046770735.db2.gz JGBCHIGIFLMEPD-UHFFFAOYSA-N 1 0 304.393 4.068 20 30 DIEDRO N#Cc1ccc(CN2CCC[C@H]2c2ccc(Cl)s2)cn1 ZINC001140544556 1046773995 /nfs/dbraw/zinc/77/39/95/1046773995.db2.gz TZDQLALMJBXXFD-ZDUSSCGKSA-N 1 0 303.818 4.005 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)cc1 ZINC000797066618 1046784477 /nfs/dbraw/zinc/78/44/77/1046784477.db2.gz SPGLYFRZRXJTDT-PVXIVEMSSA-N 1 0 311.878 4.220 20 30 DIEDRO N#CCOc1cccc(C[NH2+]Cc2cccc3ccccc32)c1 ZINC000120489962 1046786201 /nfs/dbraw/zinc/78/62/01/1046786201.db2.gz ZOEKCUQJLIZHDZ-UHFFFAOYSA-N 1 0 302.377 4.032 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679356332 1046825784 /nfs/dbraw/zinc/82/57/84/1046825784.db2.gz UEVRUJYSIPYMKH-APHBMKBZSA-N 1 0 324.262 4.223 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC001203054873 1046830469 /nfs/dbraw/zinc/83/04/69/1046830469.db2.gz HQIMMNLEEVLHQI-UHFFFAOYSA-N 1 0 308.472 4.110 20 30 DIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(CC#N)cc2)C1 ZINC000248427424 1046843706 /nfs/dbraw/zinc/84/37/06/1046843706.db2.gz NFTPRZVHXZUZEV-OXQOHEQNSA-N 1 0 305.425 4.000 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000797587155 1046856386 /nfs/dbraw/zinc/85/63/86/1046856386.db2.gz QVCMXOREYQGRAU-QGZVFWFLSA-N 1 0 311.473 4.411 20 30 DIEDRO CCC[N@H+](CCCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000076746527 1046867171 /nfs/dbraw/zinc/86/71/71/1046867171.db2.gz PQNRZCNLFSRXSJ-HXUWFJFHSA-N 1 0 313.489 4.057 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc3occc3c2)cc1 ZINC001203061536 1046874705 /nfs/dbraw/zinc/87/47/05/1046874705.db2.gz GAMHYZIIIQGTPY-UHFFFAOYSA-N 1 0 305.377 4.125 20 30 DIEDRO Cc1ccc(N=NC2CCC([N@H+](C)Cc3ccccc3)CC2)nc1 ZINC000797786672 1046881398 /nfs/dbraw/zinc/88/13/98/1046881398.db2.gz HAXIYPQDPUAKLE-UHFFFAOYSA-N 1 0 322.456 4.233 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC001203062394 1046882081 /nfs/dbraw/zinc/88/20/81/1046882081.db2.gz NVUVMELUJLLCJK-UHFFFAOYSA-N 1 0 304.437 4.309 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc2ncn(C)c2c1 ZINC001140746809 1046884901 /nfs/dbraw/zinc/88/49/01/1046884901.db2.gz NHYCGAOKWXZPMQ-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO N#Cc1c(F)cc(C[NH+]2CCC(c3ccccc3)CC2)cc1F ZINC001140752258 1046884998 /nfs/dbraw/zinc/88/49/98/1046884998.db2.gz IJYTUJRKRNTXMZ-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO CC(C)[N@H+](Cc1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140750895 1046886059 /nfs/dbraw/zinc/88/60/59/1046886059.db2.gz BKPFZGNZGDRASA-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)C(C)(C)Cc1ccccc1 ZINC001140756121 1046886592 /nfs/dbraw/zinc/88/65/92/1046886592.db2.gz FXACCPKCTKPHEA-UHFFFAOYSA-N 1 0 314.379 4.290 20 30 DIEDRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001140780574 1046892939 /nfs/dbraw/zinc/89/29/39/1046892939.db2.gz FJBPCCOADBADTO-FQEVSTJZSA-N 1 0 324.399 4.049 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000797878227 1046900343 /nfs/dbraw/zinc/90/03/43/1046900343.db2.gz QANZVXXDXNYESQ-WIYYLYMNSA-N 1 0 323.436 4.130 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C)cc2SC)cc1 ZINC000237432170 1046908490 /nfs/dbraw/zinc/90/84/90/1046908490.db2.gz MJEBAQOWLKJEBQ-UHFFFAOYSA-N 1 0 311.450 4.019 20 30 DIEDRO C[N@H+](CCc1cccc(F)c1)Cc1cccc(C#N)c1Cl ZINC001140814302 1046913825 /nfs/dbraw/zinc/91/38/25/1046913825.db2.gz GYKCWBBCHQMFFW-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CCN(CC)c1ccc(C=[NH+]OCc2ccccc2OC)cc1 ZINC000836186473 1046930715 /nfs/dbraw/zinc/93/07/15/1046930715.db2.gz NQTJFEBUXOZXPN-UHFFFAOYSA-N 1 0 312.413 4.092 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(OC(F)F)c(OCC2CC2)c1 ZINC001140905083 1046947376 /nfs/dbraw/zinc/94/73/76/1046947376.db2.gz UNDYJZIBLATXGF-UHFFFAOYSA-N 1 0 323.383 4.251 20 30 DIEDRO C[C@@H]1SCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000303681116 1046948176 /nfs/dbraw/zinc/94/81/76/1046948176.db2.gz JAURUKAKCJGZDZ-KXBFYZLASA-N 1 0 308.450 4.237 20 30 DIEDRO C=C(C[NH2+]Cc1cn(C)nc1C1CCCCC1)c1ccccc1 ZINC000680115291 1046949699 /nfs/dbraw/zinc/94/96/99/1046949699.db2.gz CNAZIWZPZKPHGG-UHFFFAOYSA-N 1 0 309.457 4.271 20 30 DIEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)c2ccccc2)cc1 ZINC000303786942 1046964516 /nfs/dbraw/zinc/96/45/16/1046964516.db2.gz RWJSDPURFAXPHB-OAHLLOKOSA-N 1 0 311.429 4.004 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161208858 1046971475 /nfs/dbraw/zinc/97/14/75/1046971475.db2.gz YFBBZTSSASQFKL-QGZVFWFLSA-N 1 0 322.537 4.221 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000798930263 1046987076 /nfs/dbraw/zinc/98/70/76/1046987076.db2.gz MPLUWGIKNACRRG-WMZOPIPTSA-N 1 0 323.415 4.217 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001258722405 1046994826 /nfs/dbraw/zinc/99/48/26/1046994826.db2.gz IBLCNFDKZCYHEL-MLGOLLRUSA-N 1 0 308.263 4.251 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cc3ccccc3o2)c1 ZINC000303906208 1047004244 /nfs/dbraw/zinc/00/42/44/1047004244.db2.gz ZUILANDHEYMTCK-UHFFFAOYSA-N 1 0 307.397 4.483 20 30 DIEDRO CCC[N@H+](CCCc1cccc(OC)c1)Cc1ccc(C#N)cc1 ZINC000303957073 1047006369 /nfs/dbraw/zinc/00/63/69/1047006369.db2.gz XTVMMPSIZZCUSM-UHFFFAOYSA-N 1 0 322.452 4.412 20 30 DIEDRO CCc1ccc(NC(=[NH2+])NCCc2c[nH]c3cc(C)ccc23)cc1 ZINC000303976434 1047011548 /nfs/dbraw/zinc/01/15/48/1047011548.db2.gz KFGIBZUWMJTCMN-UHFFFAOYSA-N 1 0 320.440 4.008 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000303983128 1047012074 /nfs/dbraw/zinc/01/20/74/1047012074.db2.gz AQDRRSVOYRZNPG-GVDBMIGSSA-N 1 0 322.493 4.110 20 30 DIEDRO Cc1[nH]c2ccccc2c1CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000303982284 1047012520 /nfs/dbraw/zinc/01/25/20/1047012520.db2.gz QCMPNYDZSXUWEN-UHFFFAOYSA-N 1 0 320.440 4.062 20 30 DIEDRO C=CCN(Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1 ZINC001141114171 1047017944 /nfs/dbraw/zinc/01/79/44/1047017944.db2.gz GPMGMYSZTROGJC-UHFFFAOYSA-N 1 0 317.845 4.044 20 30 DIEDRO N#Cc1c(N)sc(C[NH+]2CCC3(CCCCC3)CC2)c1Cl ZINC001141110124 1047018950 /nfs/dbraw/zinc/01/89/50/1047018950.db2.gz YWDPSTQFCXPSSV-UHFFFAOYSA-N 1 0 323.893 4.402 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141118201 1047019585 /nfs/dbraw/zinc/01/95/85/1047019585.db2.gz OSWAOKLXGWHCNY-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO C=CCCOCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000533801891 1047023845 /nfs/dbraw/zinc/02/38/45/1047023845.db2.gz XIHWSWHREYEUKU-UHFFFAOYSA-N 1 0 303.377 4.076 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC001141195542 1047040073 /nfs/dbraw/zinc/04/00/73/1047040073.db2.gz RZMLSENSAFEFCL-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(-c2ncccn2)cc1 ZINC001141188241 1047041784 /nfs/dbraw/zinc/04/17/84/1047041784.db2.gz ZJFXRQNCHFNKIW-UHFFFAOYSA-N 1 0 315.420 4.332 20 30 DIEDRO C=CC[N@H+](Cc1ccc(-c2ncccn2)cc1)C1CCCCC1 ZINC001141191076 1047041974 /nfs/dbraw/zinc/04/19/74/1047041974.db2.gz GKHQSBHICOBALO-UHFFFAOYSA-N 1 0 307.441 4.464 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c(F)c1 ZINC001141198045 1047044688 /nfs/dbraw/zinc/04/46/88/1047044688.db2.gz SSWRDVQEPJCFEK-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO N#CCC1CC[NH+](Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001141207656 1047047432 /nfs/dbraw/zinc/04/74/32/1047047432.db2.gz JQDLAHNSYWUOOD-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO Cc1ccc(NC(=[NH2+])NCCCc2c[nH]c3ccccc23)cc1C ZINC000304749030 1047050303 /nfs/dbraw/zinc/05/03/03/1047050303.db2.gz HJPGVYBVUNLVKW-UHFFFAOYSA-N 1 0 320.440 4.144 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCCCc2c[nH]c3ccccc23)c1 ZINC000304749231 1047050912 /nfs/dbraw/zinc/05/09/12/1047050912.db2.gz HOMINILYVCFDMO-UHFFFAOYSA-N 1 0 320.440 4.090 20 30 DIEDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000304754626 1047051528 /nfs/dbraw/zinc/05/15/28/1047051528.db2.gz LZJYVRXYNSLOLV-UHFFFAOYSA-N 1 0 324.472 4.111 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000536664067 1047056989 /nfs/dbraw/zinc/05/69/89/1047056989.db2.gz DBQLCWIQWKQBGO-VQTJNVASSA-N 1 0 320.436 4.275 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000799725768 1047057778 /nfs/dbraw/zinc/05/77/78/1047057778.db2.gz IPHVUMYRUIFRMB-UHYCVJNDSA-N 1 0 312.457 4.074 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](c2cccnc2)C(C)C)c1 ZINC000304806071 1047058464 /nfs/dbraw/zinc/05/84/64/1047058464.db2.gz DINOSPQLNMHOOF-LJQANCHMSA-N 1 0 324.472 4.371 20 30 DIEDRO COc1cc(C[NH+]2CCC(c3ccc(F)cc3)CC2)ccc1C#N ZINC000799732554 1047059086 /nfs/dbraw/zinc/05/90/86/1047059086.db2.gz BMMVUWSJGXYXKM-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCC(CC)c1cc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)on1 ZINC000304805215 1047059640 /nfs/dbraw/zinc/05/96/40/1047059640.db2.gz QYIPYJMGEAPPLS-UHFFFAOYSA-N 1 0 314.433 4.122 20 30 DIEDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000536669089 1047061669 /nfs/dbraw/zinc/06/16/69/1047061669.db2.gz OMAPGILWRIVKIF-IBGZPJMESA-N 1 0 300.446 4.380 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000536673025 1047063180 /nfs/dbraw/zinc/06/31/80/1047063180.db2.gz JEUXZUPBNVQRPI-ZDUSSCGKSA-N 1 0 302.830 4.263 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC001141296071 1047079330 /nfs/dbraw/zinc/07/93/30/1047079330.db2.gz UMNZYJUTURMFQT-UHFFFAOYSA-N 1 0 316.404 4.196 20 30 DIEDRO CCOCCC1(CNC(=[NH2+])Nc2cc(C)cc(C)c2)CCCC1 ZINC000305056060 1047090176 /nfs/dbraw/zinc/09/01/76/1047090176.db2.gz FBSGQEGZXIAFMP-UHFFFAOYSA-N 1 0 317.477 4.017 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@]1(C)CC1(Cl)Cl ZINC000827516325 1047104501 /nfs/dbraw/zinc/10/45/01/1047104501.db2.gz RHEZIRKSYJSSME-HNNXBMFYSA-N 1 0 309.240 4.130 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000537014314 1047131427 /nfs/dbraw/zinc/13/14/27/1047131427.db2.gz JRUCUWMZUXNJSI-GUMHCPJTSA-N 1 0 324.468 4.417 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CCCC(C)(C)C#N)ccc1OC(C)C ZINC000537051231 1047135107 /nfs/dbraw/zinc/13/51/07/1047135107.db2.gz NVIKUCQIQNVLJC-OAHLLOKOSA-N 1 0 318.461 4.463 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000537095294 1047136925 /nfs/dbraw/zinc/13/69/25/1047136925.db2.gz RZHVCIPTOIFNBV-XJKSGUPXSA-N 1 0 301.455 4.053 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000537131899 1047139718 /nfs/dbraw/zinc/13/97/18/1047139718.db2.gz GZCNTSFUICWBLP-CJNGLKHVSA-N 1 0 313.363 4.339 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001116439334 1047140435 /nfs/dbraw/zinc/14/04/35/1047140435.db2.gz VCYXHQJAYDEIHK-RBUKOAKNSA-N 1 0 312.457 4.381 20 30 DIEDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001116470347 1047145240 /nfs/dbraw/zinc/14/52/40/1047145240.db2.gz NFXQYYVYWJVXFW-QRWLVFNGSA-N 1 0 306.409 4.002 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc(Cl)c(F)c1 ZINC001116469115 1047145407 /nfs/dbraw/zinc/14/54/07/1047145407.db2.gz XDPZZEWXSAPNLX-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc(Cl)c(F)c1 ZINC001116469114 1047145446 /nfs/dbraw/zinc/14/54/46/1047145446.db2.gz XDPZZEWXSAPNLX-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H]2CCc3ccccc32)cc1 ZINC000827745983 1047152811 /nfs/dbraw/zinc/15/28/11/1047152811.db2.gz JSZOQOBOSVWMBQ-LPHOPBHVSA-N 1 0 320.436 4.139 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)CC(F)(F)F)cc1OC ZINC000681990211 1047159227 /nfs/dbraw/zinc/15/92/27/1047159227.db2.gz YBSBNZSTGGYSFH-UHFFFAOYSA-N 1 0 317.351 4.081 20 30 DIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000537294765 1047160885 /nfs/dbraw/zinc/16/08/85/1047160885.db2.gz DRIGLPOPLZDUMK-DLBZAZTESA-N 1 0 313.489 4.109 20 30 DIEDRO CCO[C@H](CC[NH2+][C@H](C)c1ccc(C#N)cc1)C1CCCC1 ZINC000537294970 1047161461 /nfs/dbraw/zinc/16/14/61/1047161461.db2.gz IFXOQTQVSIFUKG-DNVCBOLYSA-N 1 0 300.446 4.194 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Oc1cccc(F)c1 ZINC000537293442 1047161561 /nfs/dbraw/zinc/16/15/61/1047161561.db2.gz SPPXYGADXCVAAA-KSSFIOAISA-N 1 0 312.388 4.206 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000537305616 1047162673 /nfs/dbraw/zinc/16/26/73/1047162673.db2.gz AWYLJURYSBEWLL-ZIAGYGMSSA-N 1 0 318.852 4.316 20 30 DIEDRO CCCOc1cccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000537304207 1047162882 /nfs/dbraw/zinc/16/28/82/1047162882.db2.gz OEWSDIPAPRFVHJ-INIZCTEOSA-N 1 0 308.425 4.240 20 30 DIEDRO C=C(C)CN1CCC([NH2+]C[C@@H](CCC)c2ccccc2)CC1 ZINC000537301845 1047163130 /nfs/dbraw/zinc/16/31/30/1047163130.db2.gz MPLRWEWANZUYLR-LJQANCHMSA-N 1 0 300.490 4.200 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCC1)c1ccc(C#N)cc1 ZINC000537288704 1047164906 /nfs/dbraw/zinc/16/49/06/1047164906.db2.gz POOYJPOMYMNVOE-OAHLLOKOSA-N 1 0 308.400 4.470 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2cccc(OCC#N)c2)cc1 ZINC001116639023 1047165455 /nfs/dbraw/zinc/16/54/55/1047165455.db2.gz FPSGHNSAVHFBFJ-SFTDATJTSA-N 1 0 320.436 4.323 20 30 DIEDRO CCC[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccccn1 ZINC001116704611 1047170083 /nfs/dbraw/zinc/17/00/83/1047170083.db2.gz NXNJTDZZQVMIMD-SYYJFZTOSA-N 1 0 305.425 4.136 20 30 DIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)o1 ZINC001116723127 1047171714 /nfs/dbraw/zinc/17/17/14/1047171714.db2.gz AZHDLIDHLLLAQC-UZTJYVCTSA-N 1 0 306.409 4.117 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000537400096 1047179195 /nfs/dbraw/zinc/17/91/95/1047179195.db2.gz JLFSIHOMTNKALJ-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(C#N)c(F)c1 ZINC000537405534 1047181911 /nfs/dbraw/zinc/18/19/11/1047181911.db2.gz NAGUSZFMIFSSBZ-NSHDSACASA-N 1 0 320.770 4.383 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168278362 1047186395 /nfs/dbraw/zinc/18/63/95/1047186395.db2.gz CPOGIGKUCJICLS-FQEVSTJZSA-N 1 0 307.437 4.241 20 30 DIEDRO C=CCCCC[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839152844 1047199047 /nfs/dbraw/zinc/19/90/47/1047199047.db2.gz WBCVPLQUJOSOBR-SFHVURJKSA-N 1 0 309.400 4.067 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000388658042 1047211023 /nfs/dbraw/zinc/21/10/23/1047211023.db2.gz SMGZTXCWLRZHDX-ZDUSSCGKSA-N 1 0 314.816 4.413 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000388658040 1047211063 /nfs/dbraw/zinc/21/10/63/1047211063.db2.gz SMGZTXCWLRZHDX-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCOCC)cc1 ZINC001203112653 1047237492 /nfs/dbraw/zinc/23/74/92/1047237492.db2.gz BOUZMDHKTIRYJE-MJGOQNOKSA-N 1 0 303.446 4.284 20 30 DIEDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000796435115 1047272098 /nfs/dbraw/zinc/27/20/98/1047272098.db2.gz PUDKGOPQLIVTLF-HBGVWJBISA-N 1 0 320.436 4.065 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(CC#N)cc1 ZINC001118238265 1047275727 /nfs/dbraw/zinc/27/57/27/1047275727.db2.gz BBEILBKPTDSLBY-PBHICJAKSA-N 1 0 306.409 4.105 20 30 DIEDRO N#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001141739183 1047284110 /nfs/dbraw/zinc/28/41/10/1047284110.db2.gz HIBRQKJTTMFVCR-MRXNPFEDSA-N 1 0 302.421 4.383 20 30 DIEDRO COC1CCC([N@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001255462800 1047285557 /nfs/dbraw/zinc/28/55/57/1047285557.db2.gz AWPXKTDAGSTBHY-UHFFFAOYSA-N 1 0 306.837 4.013 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001203113762 1047289658 /nfs/dbraw/zinc/28/96/58/1047289658.db2.gz PYNUMESAQVXJJZ-DYVFJYSZSA-N 1 0 314.404 4.304 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCS1 ZINC000897800170 1047291124 /nfs/dbraw/zinc/29/11/24/1047291124.db2.gz ORYVMKZZLDPFSZ-MRXNPFEDSA-N 1 0 318.486 4.133 20 30 DIEDRO CCC[N@H+](Cc1ccc(Br)cc1C#N)[C@@H](C)CC ZINC001141807372 1047292927 /nfs/dbraw/zinc/29/29/27/1047292927.db2.gz FUBMTVAXSBIKEW-LBPRGKRZSA-N 1 0 309.251 4.331 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)ccc1C#N ZINC001141932101 1047311278 /nfs/dbraw/zinc/31/12/78/1047311278.db2.gz SSXXBWSQQJENSI-GOSISDBHSA-N 1 0 323.465 4.321 20 30 DIEDRO CSc1nc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)ccc1C#N ZINC001141941458 1047312066 /nfs/dbraw/zinc/31/20/66/1047312066.db2.gz KMJUILYDHYGXEV-INIZCTEOSA-N 1 0 315.486 4.077 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651700376 1047322193 /nfs/dbraw/zinc/32/21/93/1047322193.db2.gz BQQFYUWQIKKAQJ-QGZVFWFLSA-N 1 0 321.468 4.050 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000651720851 1047323721 /nfs/dbraw/zinc/32/37/21/1047323721.db2.gz MAIUZNRYPONRNZ-GDBMZVCRSA-N 1 0 313.470 4.082 20 30 DIEDRO F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#Cc2ccccc2)s1 ZINC001141976065 1047326701 /nfs/dbraw/zinc/32/67/01/1047326701.db2.gz USQYYIWYKFRZPR-TXPKVOOTSA-N 1 0 311.425 4.080 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000651791202 1047329801 /nfs/dbraw/zinc/32/98/01/1047329801.db2.gz DLBVVZKIGKBYMR-SCRDCRAPSA-N 1 0 309.251 4.240 20 30 DIEDRO Cc1onc(-c2ccccc2)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001141986058 1047330826 /nfs/dbraw/zinc/33/08/26/1047330826.db2.gz UGOGKRQWUFZBOE-UHFFFAOYSA-N 1 0 317.392 4.154 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1Cl ZINC000652063378 1047342914 /nfs/dbraw/zinc/34/29/14/1047342914.db2.gz KLHANKYVRRTWBV-HNNXBMFYSA-N 1 0 313.775 4.136 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000840971078 1047366256 /nfs/dbraw/zinc/36/62/56/1047366256.db2.gz FPPPAIPTNJOVGW-PXNSSMCTSA-N 1 0 320.436 4.254 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[NH+]1CCC2(CCC2)CC1 ZINC000796513796 1047366846 /nfs/dbraw/zinc/36/68/46/1047366846.db2.gz CDVCSIPAEAVHTM-UHFFFAOYSA-N 1 0 304.821 4.008 20 30 DIEDRO C=CCC1(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCCCC1 ZINC001142065444 1047368113 /nfs/dbraw/zinc/36/81/13/1047368113.db2.gz NLUDHVYYEIPZFP-XLIONFOSSA-N 1 0 320.521 4.140 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1ccco1 ZINC000796794546 1047391745 /nfs/dbraw/zinc/39/17/45/1047391745.db2.gz URPKXZNARUBGAJ-AWEZNQCLSA-N 1 0 322.449 4.180 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1=CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000749334260 1047410492 /nfs/dbraw/zinc/41/04/92/1047410492.db2.gz SLBDMRHCWZVXSC-MRXNPFEDSA-N 1 0 318.424 4.009 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000116927733 1047414868 /nfs/dbraw/zinc/41/48/68/1047414868.db2.gz LIOBCLKJQMQUOR-OAHLLOKOSA-N 1 0 324.424 4.002 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000116927161 1047415415 /nfs/dbraw/zinc/41/54/15/1047415415.db2.gz ROBBFXZHEBNBGN-AWEZNQCLSA-N 1 0 316.832 4.368 20 30 DIEDRO C=CCCn1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000653762087 1047422215 /nfs/dbraw/zinc/42/22/15/1047422215.db2.gz SSHGTUWFTFLLKF-WOJBJXKFSA-N 1 0 324.472 4.012 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000749572660 1047428140 /nfs/dbraw/zinc/42/81/40/1047428140.db2.gz POXVCCCZLFDQIF-UHFFFAOYSA-N 1 0 302.418 4.208 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CCCSCC#N)cc1 ZINC000080629407 1047428139 /nfs/dbraw/zinc/42/81/39/1047428139.db2.gz OSPZTIULRDMNTI-MSOLQXFVSA-N 1 0 302.487 4.210 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1O ZINC000841749377 1047450535 /nfs/dbraw/zinc/45/05/35/1047450535.db2.gz DODBJGUCCHQDJD-GFCCVEGCSA-N 1 0 312.800 4.257 20 30 DIEDRO CC1CC[NH+](CCCCNc2nc3ccccc3cc2C#N)CC1 ZINC000750015740 1047453283 /nfs/dbraw/zinc/45/32/83/1047453283.db2.gz ADOLCIFYIZCZMY-UHFFFAOYSA-N 1 0 322.456 4.030 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1O ZINC000841760233 1047455762 /nfs/dbraw/zinc/45/57/62/1047455762.db2.gz DFSMJQSZROVLOM-RTBURBONSA-N 1 0 306.409 4.382 20 30 DIEDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000841893761 1047461865 /nfs/dbraw/zinc/46/18/65/1047461865.db2.gz IQOYQVQNWUGOTI-LJQANCHMSA-N 1 0 306.409 4.048 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000537624550 1047475316 /nfs/dbraw/zinc/47/53/16/1047475316.db2.gz YLTMUNJIIMRBIL-LJQANCHMSA-N 1 0 308.425 4.292 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000119883817 1047476322 /nfs/dbraw/zinc/47/63/22/1047476322.db2.gz YDUZVZQXTLZBRR-ZDUSSCGKSA-N 1 0 303.352 4.380 20 30 DIEDRO N#CCC[N@H+](Cc1cccc2[nH]cnc21)C1CCCCCCC1 ZINC001142687165 1047480345 /nfs/dbraw/zinc/48/03/45/1047480345.db2.gz ODWZJDYVBSXHDJ-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120324627 1047487240 /nfs/dbraw/zinc/48/72/40/1047487240.db2.gz RANHXZSEYJTOHK-INIZCTEOSA-N 1 0 306.837 4.123 20 30 DIEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000537629266 1047487996 /nfs/dbraw/zinc/48/79/96/1047487996.db2.gz OVAFFRLGLJEFDJ-INIZCTEOSA-N 1 0 311.425 4.020 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000120314288 1047490718 /nfs/dbraw/zinc/49/07/18/1047490718.db2.gz OZINRCSXOHZSAJ-FQEVSTJZSA-N 1 0 316.464 4.125 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)C1CC1 ZINC000090044417 1047497021 /nfs/dbraw/zinc/49/70/21/1047497021.db2.gz UWQVZUGYASCLLF-OAHLLOKOSA-N 1 0 313.470 4.082 20 30 DIEDRO CSc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)cc1)CCC2 ZINC000842830707 1047507040 /nfs/dbraw/zinc/50/70/40/1047507040.db2.gz XAPPFUWRFLZNKW-IBGZPJMESA-N 1 0 308.450 4.447 20 30 DIEDRO COc1ccccc1C[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665524 1047507074 /nfs/dbraw/zinc/50/70/74/1047507074.db2.gz ACMRDPDMQQREIV-APWZRJJASA-N 1 0 308.425 4.261 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)c[nH]c2c1 ZINC001142920792 1047514525 /nfs/dbraw/zinc/51/45/25/1047514525.db2.gz BWSKKGJHJBPTJW-SFHVURJKSA-N 1 0 315.420 4.104 20 30 DIEDRO N#Cc1ccc2c(C[NH+]3CCC4(CC[C@H](F)C4)CC3)c[nH]c2c1 ZINC001142922877 1047514598 /nfs/dbraw/zinc/51/45/98/1047514598.db2.gz ZKUUWMKKJDKPOA-INIZCTEOSA-N 1 0 311.404 4.144 20 30 DIEDRO N#Cc1ccc2c(C[N@H+]3CC[C@@H](c4ccccc4F)C3)c[nH]c2c1 ZINC001142921480 1047514685 /nfs/dbraw/zinc/51/46/85/1047514685.db2.gz ONCMVAIGAYJLJD-OAHLLOKOSA-N 1 0 319.383 4.168 20 30 DIEDRO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1cccc(Cl)c1 ZINC001142929162 1047516727 /nfs/dbraw/zinc/51/67/27/1047516727.db2.gz YSIFHIKGXUUWNN-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000121375869 1047517388 /nfs/dbraw/zinc/51/73/88/1047517388.db2.gz ILROFOISDCEHCZ-SUMWQHHRSA-N 1 0 319.495 4.084 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121350567 1047518723 /nfs/dbraw/zinc/51/87/23/1047518723.db2.gz DTDDYZAJRBHVOW-UHFFFAOYSA-N 1 0 317.458 4.075 20 30 DIEDRO N#CCC[N@H+](Cc1cccc2n[nH]cc21)C1CCCCCCC1 ZINC001143091190 1047530346 /nfs/dbraw/zinc/53/03/46/1047530346.db2.gz BDCWARFMAPJFEH-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093315561 1047544983 /nfs/dbraw/zinc/54/49/83/1047544983.db2.gz RKZHEBWZOFTJSC-MRXNPFEDSA-N 1 0 324.424 4.268 20 30 DIEDRO CC(C)[C@@H]1[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC12CC=CC2 ZINC000843432546 1047551912 /nfs/dbraw/zinc/55/19/12/1047551912.db2.gz YFPHAAMBIHNUMV-LPHOPBHVSA-N 1 0 310.441 4.154 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000404590608 1047553890 /nfs/dbraw/zinc/55/38/90/1047553890.db2.gz QZAZLTABCHWIHG-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001149204586 1047557425 /nfs/dbraw/zinc/55/74/25/1047557425.db2.gz IJOIOFCDXFVECA-BZSNNMDCSA-N 1 0 322.537 4.362 20 30 DIEDRO CCCCCCCCCCC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001149672154 1047567012 /nfs/dbraw/zinc/56/70/12/1047567012.db2.gz RAZXEDWGAVPLHY-PMACEKPBSA-N 1 0 322.537 4.317 20 30 DIEDRO C=CCn1c(C)cc(C(=O)CN(C)[C@H](C)c2cccs2)c1C ZINC000096990637 1047569048 /nfs/dbraw/zinc/56/90/48/1047569048.db2.gz MLUJWAVTUVQLER-OAHLLOKOSA-N 1 0 316.470 4.228 20 30 DIEDRO CCOc1cccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000537722016 1047635769 /nfs/dbraw/zinc/63/57/69/1047635769.db2.gz UUBWZACBLLJPMM-UHFFFAOYSA-N 1 0 318.420 4.246 20 30 DIEDRO CCCC[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537980033 1047650030 /nfs/dbraw/zinc/65/00/30/1047650030.db2.gz GNWDDTIQPVBWNV-ZLPCBKJTSA-N 1 0 300.446 4.417 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000538193623 1047662576 /nfs/dbraw/zinc/66/25/76/1047662576.db2.gz DAJZRCKNXGEFLR-UONOGXRCSA-N 1 0 319.445 4.389 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000538226135 1047663267 /nfs/dbraw/zinc/66/32/67/1047663267.db2.gz NFIIIINOAHZSLS-CVEARBPZSA-N 1 0 315.379 4.319 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000538226138 1047663696 /nfs/dbraw/zinc/66/36/96/1047663696.db2.gz NFIIIINOAHZSLS-JKSUJKDBSA-N 1 0 315.379 4.319 20 30 DIEDRO CC(C)(C)C(=[NH2+])Nc1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001155181960 1047671049 /nfs/dbraw/zinc/67/10/49/1047671049.db2.gz ZPPOEZRITNQWRE-UHFFFAOYSA-N 1 0 322.412 4.162 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC1(C#N)CC1 ZINC000538349197 1047671135 /nfs/dbraw/zinc/67/11/35/1047671135.db2.gz RJZADGKBGJLRBY-AWEZNQCLSA-N 1 0 311.454 4.415 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Oc1ccccc1F ZINC000538394322 1047673766 /nfs/dbraw/zinc/67/37/66/1047673766.db2.gz VTABUOQUCUFGEG-YOEHRIQHSA-N 1 0 312.388 4.206 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000538394049 1047674365 /nfs/dbraw/zinc/67/43/65/1047674365.db2.gz MHBKDJUOSBIWCC-QWHCGFSZSA-N 1 0 300.352 4.291 20 30 DIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000538408274 1047676167 /nfs/dbraw/zinc/67/61/67/1047676167.db2.gz FIUGHOCGMDJGHQ-CVEARBPZSA-N 1 0 308.425 4.096 20 30 DIEDRO CC(C)c1ccc(C#N)c(-n2ccc3cc([C@H](C)[NH3+])ccc32)n1 ZINC001155340095 1047677305 /nfs/dbraw/zinc/67/73/05/1047677305.db2.gz LUJFGLGKXXJGQI-ZDUSSCGKSA-N 1 0 304.397 4.040 20 30 DIEDRO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CCC(C)(C)C#N ZINC000538465309 1047680426 /nfs/dbraw/zinc/68/04/26/1047680426.db2.gz SZXTZYQXMWMQHX-CJNGLKHVSA-N 1 0 306.837 4.042 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538507574 1047684118 /nfs/dbraw/zinc/68/41/18/1047684118.db2.gz NZKNXUQWISLPEI-KZULUSFZSA-N 1 0 310.372 4.044 20 30 DIEDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538508215 1047684280 /nfs/dbraw/zinc/68/42/80/1047684280.db2.gz CCPUQLLHSVPEBV-VBNZEHGJSA-N 1 0 306.450 4.412 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538507573 1047684343 /nfs/dbraw/zinc/68/43/43/1047684343.db2.gz NZKNXUQWISLPEI-KPZWWZAWSA-N 1 0 310.372 4.044 20 30 DIEDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(C#N)s2)o1 ZINC000538721769 1047700798 /nfs/dbraw/zinc/70/07/98/1047700798.db2.gz CRNVOMPAYCAVQM-BLLLJJGKSA-N 1 0 300.427 4.494 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000538728228 1047701624 /nfs/dbraw/zinc/70/16/24/1047701624.db2.gz GHVFFOPLEYKSGH-WOJBJXKFSA-N 1 0 315.420 4.440 20 30 DIEDRO CCCCCCCCCCC(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC001156347524 1047707827 /nfs/dbraw/zinc/70/78/27/1047707827.db2.gz MBQQLHWCTPYNJI-GOSISDBHSA-N 1 0 310.526 4.460 20 30 DIEDRO CSc1ccnc(N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001156766203 1047721994 /nfs/dbraw/zinc/72/19/94/1047721994.db2.gz RWLJHIHRWNQESI-UHFFFAOYSA-N 1 0 309.438 4.059 20 30 DIEDRO COc1ccc2c(cc[nH+]c2N[C@@H](C)c2cccc(C#N)c2)c1 ZINC001156872043 1047725157 /nfs/dbraw/zinc/72/51/57/1047725157.db2.gz ZPOXTPCBJNEGET-ZDUSSCGKSA-N 1 0 303.365 4.288 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000237498236 1047740909 /nfs/dbraw/zinc/74/09/09/1047740909.db2.gz DTESFFLUOFPTCE-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000237502259 1047782473 /nfs/dbraw/zinc/78/24/73/1047782473.db2.gz FPURTDWCXPVTIU-KBXCAEBGSA-N 1 0 324.449 4.304 20 30 DIEDRO COc1ccc2c(cc[nH+]c2NC23CCC(C#N)(CC2)CC3)c1 ZINC001158785759 1047798843 /nfs/dbraw/zinc/79/88/43/1047798843.db2.gz ODLUMUXQGRNBDH-UHFFFAOYSA-N 1 0 307.397 4.272 20 30 DIEDRO N#Cc1c2c(sc1Nc1ccc([C@@H]3CCC[NH2+]3)cc1)CCC2 ZINC001159152297 1047816405 /nfs/dbraw/zinc/81/64/05/1047816405.db2.gz MENUEPMKYLTIEJ-INIZCTEOSA-N 1 0 309.438 4.277 20 30 DIEDRO Cc1cc(Cl)cc(Nc2sc3c(c2C#N)CC[NH2+]C3)c1F ZINC001159159853 1047817118 /nfs/dbraw/zinc/81/71/18/1047817118.db2.gz QZGKHOFZFXIVOP-UHFFFAOYSA-N 1 0 321.808 4.110 20 30 DIEDRO N#Cc1c2c(sc1NC=Cc1ccc(Cl)cc1)C[NH2+]CC2 ZINC001159159876 1047817191 /nfs/dbraw/zinc/81/71/91/1047817191.db2.gz SDPPIQASUJYJGA-VMPITWQZSA-N 1 0 315.829 4.002 20 30 DIEDRO Cc1c(C#N)cccc1Nc1cnccc1[C@@H]1C[C@@H](C)C[C@@H]([NH3+])C1 ZINC001159387398 1047837983 /nfs/dbraw/zinc/83/79/83/1047837983.db2.gz RQXUKDUCMVDMCW-KBRIMQKVSA-N 1 0 320.440 4.236 20 30 DIEDRO C#Cc1ccc(Nc2cnccc2[C@@H]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001159390871 1047838612 /nfs/dbraw/zinc/83/86/12/1047838612.db2.gz OYCSPLSGFRMXDW-UAGQMJEPSA-N 1 0 305.425 4.037 20 30 DIEDRO Cc1cc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)ccc1C#N ZINC001159390810 1047838903 /nfs/dbraw/zinc/83/89/03/1047838903.db2.gz ODZQIXISGUAIQR-KBRIMQKVSA-N 1 0 320.440 4.236 20 30 DIEDRO C=C(C)CN(Cc1ccc(CO)o1)c1cc[nH+]c2ccc(C)cc21 ZINC000553332877 1047839043 /nfs/dbraw/zinc/83/90/43/1047839043.db2.gz UYSGGBPUNRVDDT-UHFFFAOYSA-N 1 0 322.408 4.211 20 30 DIEDRO C#Cc1cccc(Nc2cnccc2[C@@H]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001159387914 1047839170 /nfs/dbraw/zinc/83/91/70/1047839170.db2.gz FQCKNFVKZCHWJN-UAGQMJEPSA-N 1 0 305.425 4.037 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000237504987 1047843976 /nfs/dbraw/zinc/84/39/76/1047843976.db2.gz DBAJJYUVBDMUPT-YWZLYKJASA-N 1 0 306.409 4.218 20 30 DIEDRO CCC[C@@H](CCc1ccccc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001182853933 1047852648 /nfs/dbraw/zinc/85/26/48/1047852648.db2.gz DBPCLGVIQXAUMM-NRFANRHFSA-N 1 0 306.453 4.492 20 30 DIEDRO N#Cc1cc(F)c(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1F ZINC001159501456 1047855859 /nfs/dbraw/zinc/85/58/59/1047855859.db2.gz AAHOOIVZVQTJKF-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO C[C@]1(C#N)CCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001182998735 1047872533 /nfs/dbraw/zinc/87/25/33/1047872533.db2.gz BJPGQWYHXGZFKA-LJQANCHMSA-N 1 0 310.372 4.354 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001182998960 1047874718 /nfs/dbraw/zinc/87/47/18/1047874718.db2.gz FMRRYMFCJQYAFJ-DOMZBBRYSA-N 1 0 302.245 4.361 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC001182977227 1047877986 /nfs/dbraw/zinc/87/79/86/1047877986.db2.gz CFDQCVKYADACTG-GOSISDBHSA-N 1 0 307.441 4.033 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC001183046622 1047879085 /nfs/dbraw/zinc/87/90/85/1047879085.db2.gz YCLWCCONJAQRLJ-PKOBYXMFSA-N 1 0 300.490 4.089 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC001183046621 1047879416 /nfs/dbraw/zinc/87/94/16/1047879416.db2.gz YCLWCCONJAQRLJ-MJGOQNOKSA-N 1 0 300.490 4.089 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)c(F)cc2Br)C1 ZINC001183065195 1047887675 /nfs/dbraw/zinc/88/76/75/1047887675.db2.gz HZBKFKVDVPLNSS-LBPRGKRZSA-N 1 0 312.226 4.295 20 30 DIEDRO N#Cc1nc2ccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)cc2s1 ZINC001159631596 1047888615 /nfs/dbraw/zinc/88/86/15/1047888615.db2.gz SIAZYPZRILSFHD-OAHLLOKOSA-N 1 0 320.421 4.336 20 30 DIEDRO C=CCC1(O)CC[NH+](Cc2ccc(C(C)(C)CC)cc2)CC1 ZINC001197921688 1047900023 /nfs/dbraw/zinc/90/00/23/1047900023.db2.gz YQLGFTYUDDBSTB-UHFFFAOYSA-N 1 0 301.474 4.277 20 30 DIEDRO CC(C)(C)c1ccccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159704050 1047905285 /nfs/dbraw/zinc/90/52/85/1047905285.db2.gz SYNKIDWFWWSKQN-UHFFFAOYSA-N 1 0 305.425 4.286 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001183336133 1047922650 /nfs/dbraw/zinc/92/26/50/1047922650.db2.gz MSOOJACGBKYNKW-CABCVRRESA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC001183379003 1047926186 /nfs/dbraw/zinc/92/61/86/1047926186.db2.gz HQVRCRSJTBGZOZ-UXHICEINSA-N 1 0 300.490 4.376 20 30 DIEDRO N#Cc1cc(Nc2cccc3sccc32)cc(C2C[NH2+]C2)c1 ZINC001159792786 1047927046 /nfs/dbraw/zinc/92/70/46/1047927046.db2.gz NDVSSFVVQVOGRR-UHFFFAOYSA-N 1 0 305.406 4.203 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775833724 1047941475 /nfs/dbraw/zinc/94/14/75/1047941475.db2.gz KZFBEPXOYZDVFS-HNNXBMFYSA-N 1 0 312.844 4.108 20 30 DIEDRO C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000479619913 1047944548 /nfs/dbraw/zinc/94/45/48/1047944548.db2.gz ZQNNDXMLQZFXMR-ZETCQYMHSA-N 1 0 303.221 4.133 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001159953665 1047956736 /nfs/dbraw/zinc/95/67/36/1047956736.db2.gz NCLXERJBDSSCGD-IBGZPJMESA-N 1 0 321.424 4.050 20 30 DIEDRO Cc1cc(C#N)cc(C)c1Nc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001159953666 1047957524 /nfs/dbraw/zinc/95/75/24/1047957524.db2.gz NCLXERJBDSSCGD-LJQANCHMSA-N 1 0 321.424 4.050 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC001198458325 1047958896 /nfs/dbraw/zinc/95/88/96/1047958896.db2.gz QNBBMAMFXCBEEK-UHFFFAOYSA-N 1 0 301.386 4.008 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(Br)cc(OC)c1 ZINC001183738269 1047961490 /nfs/dbraw/zinc/96/14/90/1047961490.db2.gz GVLGWHJJHGSLLC-CQSZACIVSA-N 1 0 312.251 4.292 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1cc(F)cc(F)c1 ZINC001183802952 1047967778 /nfs/dbraw/zinc/96/77/78/1047967778.db2.gz YNAHEZAYKIOZLK-OLZOCXBDSA-N 1 0 300.352 4.291 20 30 DIEDRO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2F)cc1 ZINC001198525506 1047968332 /nfs/dbraw/zinc/96/83/32/1047968332.db2.gz NCSHNLFFVBWTGJ-LJQANCHMSA-N 1 0 323.411 4.392 20 30 DIEDRO CSc1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1C#N ZINC001183800245 1047969089 /nfs/dbraw/zinc/96/90/89/1047969089.db2.gz OSIRAOUNMHSOGA-QZTJIDSGSA-N 1 0 308.450 4.173 20 30 DIEDRO C#C[C@@H]1CCCC[N@H+]1CC/C=C\c1ccc(Br)cc1 ZINC001198525487 1047969338 /nfs/dbraw/zinc/96/93/38/1047969338.db2.gz MQEGKAVXARDOHP-RJIDQJRZSA-N 1 0 318.258 4.340 20 30 DIEDRO N#Cc1ccc(Nc2ccccc2C2=CC[NH2+]CC2)c(Cl)c1 ZINC001160023933 1047972967 /nfs/dbraw/zinc/97/29/67/1047972967.db2.gz XMUSRDADXWBDLY-UHFFFAOYSA-N 1 0 309.800 4.332 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC001183959289 1047986567 /nfs/dbraw/zinc/98/65/67/1047986567.db2.gz QBCHATOADQWONY-BBRMVZONSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC001199052454 1048029815 /nfs/dbraw/zinc/02/98/15/1048029815.db2.gz GYEVVUYYGNCHFM-UHFFFAOYSA-N 1 0 308.244 4.453 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)n1 ZINC001184023868 1047990501 /nfs/dbraw/zinc/99/05/01/1047990501.db2.gz SCWQTMMZMMXVPB-ROUUACIJSA-N 1 0 305.425 4.159 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CC1(NC(=O)OC(C)(C)C)CC1 ZINC001184035275 1047994297 /nfs/dbraw/zinc/99/42/97/1047994297.db2.gz NLBJVQFURLFDFD-OAHLLOKOSA-N 1 0 312.498 4.382 20 30 DIEDRO N#Cc1ccc(F)c(F)c1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001160206312 1047996198 /nfs/dbraw/zinc/99/61/98/1047996198.db2.gz KXHGZTGKBOCQCY-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001198704769 1047999084 /nfs/dbraw/zinc/99/90/84/1047999084.db2.gz FGKWMZTULNOALU-OAQYLSRUSA-N 1 0 320.436 4.139 20 30 DIEDRO Cc1ccc(C#N)c(Nc2ccc(OC3CC[NH2+]CC3)c(C)c2)c1 ZINC001160234106 1048006786 /nfs/dbraw/zinc/00/67/86/1048006786.db2.gz CTNFLZHTPOGWEX-UHFFFAOYSA-N 1 0 321.424 4.050 20 30 DIEDRO N#Cc1ccc(Oc2cccc(NC=CC3CC[NH2+]CC3)c2)cc1 ZINC001160251046 1048010074 /nfs/dbraw/zinc/01/00/74/1048010074.db2.gz QWIKTCMALFLAIT-JLHYYAGUSA-N 1 0 319.408 4.276 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1O ZINC000775913324 1048011206 /nfs/dbraw/zinc/01/12/06/1048011206.db2.gz KKCMYPHGIODFKD-GFCCVEGCSA-N 1 0 300.789 4.077 20 30 DIEDRO Cc1cc(C#N)cc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001160265087 1048015271 /nfs/dbraw/zinc/01/52/71/1048015271.db2.gz IPPJGUUGDUFETL-KRWDZBQOSA-N 1 0 305.425 4.152 20 30 DIEDRO CC1(C)C[NH2+]Cc2cc(Nc3cc(Cl)cc(C#N)c3)ccc21 ZINC001160284825 1048023415 /nfs/dbraw/zinc/02/34/15/1048023415.db2.gz GXMFGYXDWMRLQG-UHFFFAOYSA-N 1 0 311.816 4.336 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]C1CCC2(CCC2)CC1 ZINC001199028304 1048032399 /nfs/dbraw/zinc/03/23/99/1048032399.db2.gz TYGGFROJNOFSEL-UHFFFAOYSA-N 1 0 314.498 4.494 20 30 DIEDRO Cc1cccc2cccc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)c12 ZINC001160329241 1048033650 /nfs/dbraw/zinc/03/36/50/1048033650.db2.gz MEQBDFHTHWJQEU-UHFFFAOYSA-N 1 0 313.404 4.450 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N[C@@H](C#N)CC(C)C)nc1 ZINC001160364317 1048039951 /nfs/dbraw/zinc/03/99/51/1048039951.db2.gz AERTZQVMIOXJOQ-MSOLQXFVSA-N 1 0 314.477 4.369 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1nc2ccccc2n1C(F)F ZINC001184453352 1048041794 /nfs/dbraw/zinc/04/17/94/1048041794.db2.gz VZMSPPYYGPVXTH-HIFPTAJRSA-N 1 0 318.371 4.164 20 30 DIEDRO N#CCc1cc(Nc2ccc(C3CC[NH2+]CC3)cc2)ccc1F ZINC001160386771 1048043331 /nfs/dbraw/zinc/04/33/31/1048043331.db2.gz GXQCISMZWQDKGF-UHFFFAOYSA-N 1 0 309.388 4.102 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cccc(Cl)c1C)C(C)C ZINC001199197709 1048043407 /nfs/dbraw/zinc/04/34/07/1048043407.db2.gz IRHFZBRNQHEPKD-IBGZPJMESA-N 1 0 320.908 4.437 20 30 DIEDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001199286812 1048052425 /nfs/dbraw/zinc/05/24/25/1048052425.db2.gz VADCNIXWMFJHPV-LPHOPBHVSA-N 1 0 314.473 4.173 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2c(F)cccc2F)cc1 ZINC001199403134 1048064834 /nfs/dbraw/zinc/06/48/34/1048064834.db2.gz HWSDJFZJDLOFSY-UHFFFAOYSA-N 1 0 314.379 4.098 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1CNc1nc(Cl)cc2cc(F)ccc21 ZINC001160951820 1048100184 /nfs/dbraw/zinc/10/01/84/1048100184.db2.gz LPJZDBLCDKQQCX-AWEZNQCLSA-N 1 0 319.811 4.090 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C(C)(C)c1ccccc1 ZINC000776023564 1048105336 /nfs/dbraw/zinc/10/53/36/1048105336.db2.gz KNBYPFMZQSXOLA-FQEVSTJZSA-N 1 0 322.452 4.435 20 30 DIEDRO CCCCCCCCCCN(C)C(=O)[C@@H](N)c1ccsc1 ZINC001161221543 1048115400 /nfs/dbraw/zinc/11/54/00/1048115400.db2.gz SUTWIDDWWPWHCC-INIZCTEOSA-N 1 0 310.507 4.347 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC001185037969 1048121639 /nfs/dbraw/zinc/12/16/39/1048121639.db2.gz YTQPKZKMPZJWSA-DOTOQJQBSA-N 1 0 323.415 4.253 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]CC(C)(C)c2ccccc2)c1 ZINC000774814870 1048122531 /nfs/dbraw/zinc/12/25/31/1048122531.db2.gz PCWVXFMUYPXLMW-IBGZPJMESA-N 1 0 322.452 4.435 20 30 DIEDRO CC[C@@H](C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000554560559 1048130289 /nfs/dbraw/zinc/13/02/89/1048130289.db2.gz ZBKKUQLHHQGMHB-SFHVURJKSA-N 1 0 319.452 4.133 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2csc(C(C)C)n2)c1 ZINC001199980513 1048131650 /nfs/dbraw/zinc/13/16/50/1048131650.db2.gz GUWANFYMVQVIPA-UHFFFAOYSA-N 1 0 316.470 4.164 20 30 DIEDRO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000105496486 1048139573 /nfs/dbraw/zinc/13/95/73/1048139573.db2.gz IUJWPDFQTNLPSF-MGPUTAFESA-N 1 0 306.409 4.063 20 30 DIEDRO Cc1ccccc1CC(C)(C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000105492144 1048140238 /nfs/dbraw/zinc/14/02/38/1048140238.db2.gz GURCRZZSAXQUJR-QGZVFWFLSA-N 1 0 322.452 4.397 20 30 DIEDRO CC[NH+](CC)Cc1cc(N[C@H](C#N)c2ccccc2)ccc1OC ZINC001161724583 1048161663 /nfs/dbraw/zinc/16/16/63/1048161663.db2.gz BJASLBPWNFLFNP-LJQANCHMSA-N 1 0 323.440 4.214 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000554732490 1048172760 /nfs/dbraw/zinc/17/27/60/1048172760.db2.gz CCQUKEHTPAXSFF-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000480527312 1048172938 /nfs/dbraw/zinc/17/29/38/1048172938.db2.gz OUKIDOYWVFGYAL-JKSUJKDBSA-N 1 0 308.878 4.318 20 30 DIEDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000480527310 1048173172 /nfs/dbraw/zinc/17/31/72/1048173172.db2.gz OUKIDOYWVFGYAL-HOTGVXAUSA-N 1 0 308.878 4.318 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000480558257 1048179415 /nfs/dbraw/zinc/17/94/15/1048179415.db2.gz SACAYJCVDLKOHD-UHFFFAOYSA-N 1 0 308.397 4.486 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCOCC)C1 ZINC001201035465 1048183311 /nfs/dbraw/zinc/18/33/11/1048183311.db2.gz GROJEBGJDXBPHJ-HKUYNNGSSA-N 1 0 317.473 4.245 20 30 DIEDRO N#CCc1cccc(N(CC[NH3+])c2cccc3ccccc32)c1F ZINC001162005793 1048211253 /nfs/dbraw/zinc/21/12/53/1048211253.db2.gz YVKFDYGFOACUTF-UHFFFAOYSA-N 1 0 319.383 4.142 20 30 DIEDRO CCC(CC)[C@@H](CNc1cc(C)cc(F)c1C#N)[NH+]1CCCC1 ZINC001162073441 1048222501 /nfs/dbraw/zinc/22/25/01/1048222501.db2.gz HPVAOXDHSJVVNT-LJQANCHMSA-N 1 0 317.452 4.318 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C)c1ccncc1 ZINC000776154672 1048236429 /nfs/dbraw/zinc/23/64/29/1048236429.db2.gz CINLQXPXURCBOI-BZSNNMDCSA-N 1 0 302.462 4.128 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C)c1ccncc1 ZINC000776154675 1048237086 /nfs/dbraw/zinc/23/70/86/1048237086.db2.gz CINLQXPXURCBOI-OKZBNKHCSA-N 1 0 302.462 4.128 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@H](OCC)C12CCCCC2)c1ccncc1 ZINC000776155452 1048238204 /nfs/dbraw/zinc/23/82/04/1048238204.db2.gz GMKLPEVXGAYUKO-FHWLQOOXSA-N 1 0 314.473 4.416 20 30 DIEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000776155621 1048238823 /nfs/dbraw/zinc/23/88/23/1048238823.db2.gz GCAMYCACMDLCLV-JQHSSLGASA-N 1 0 300.446 4.454 20 30 DIEDRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000776157810 1048242341 /nfs/dbraw/zinc/24/23/41/1048242341.db2.gz QVSATLIUJSXDMF-ROUUACIJSA-N 1 0 322.452 4.488 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C(C(C)C)C(C)C)ccc1OC ZINC001201337591 1048243958 /nfs/dbraw/zinc/24/39/58/1048243958.db2.gz AXFRQEMXXUAXMV-UHFFFAOYSA-N 1 0 305.462 4.420 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC001186070251 1048258530 /nfs/dbraw/zinc/25/85/30/1048258530.db2.gz NSTRACFOINBILD-HUUCEWRRSA-N 1 0 315.436 4.071 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001175361789 1048276455 /nfs/dbraw/zinc/27/64/55/1048276455.db2.gz KGUTVCPPSCABSL-MOPGFXCFSA-N 1 0 305.437 4.364 20 30 DIEDRO N#Cc1c(F)cccc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175365776 1048279811 /nfs/dbraw/zinc/27/98/11/1048279811.db2.gz BIMOXCXOLCRCBP-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO COc1ccc(C#N)c(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001175366415 1048280286 /nfs/dbraw/zinc/28/02/86/1048280286.db2.gz IWWNNVOINXMVAA-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO N#Cc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC001175364037 1048280536 /nfs/dbraw/zinc/28/05/36/1048280536.db2.gz UJHWUZVSVCBLTA-UHFFFAOYSA-N 1 0 316.408 4.159 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001186316248 1048284422 /nfs/dbraw/zinc/28/44/22/1048284422.db2.gz QODCPRVLZOUQLR-KUHUBIRLSA-N 1 0 311.404 4.109 20 30 DIEDRO N#Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201474654 1048294027 /nfs/dbraw/zinc/29/40/27/1048294027.db2.gz JHMVTUJDJNWDJM-RTWAWAEBSA-N 1 0 315.420 4.291 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(Br)c1 ZINC000481054848 1048302211 /nfs/dbraw/zinc/30/22/11/1048302211.db2.gz KPWFHCXVZGBCSM-CZUORRHYSA-N 1 0 319.246 4.085 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1 ZINC001201558700 1048316587 /nfs/dbraw/zinc/31/65/87/1048316587.db2.gz UPMZXZOCRAWJTL-HXUWFJFHSA-N 1 0 309.457 4.480 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000775032597 1048317519 /nfs/dbraw/zinc/31/75/19/1048317519.db2.gz PAHJJTNYAFQCJB-QGZVFWFLSA-N 1 0 323.436 4.338 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@H](CC)CCCC)CC2 ZINC001201564546 1048319962 /nfs/dbraw/zinc/31/99/62/1048319962.db2.gz BSOUXBBGMRFVCF-UYAOXDASSA-N 1 0 320.521 4.236 20 30 DIEDRO CCCCCCCCCCC[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001201631399 1048326982 /nfs/dbraw/zinc/32/69/82/1048326982.db2.gz RODBFKFWIWTVMF-INIZCTEOSA-N 1 0 305.453 4.467 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001201630893 1048328023 /nfs/dbraw/zinc/32/80/23/1048328023.db2.gz GUQXQMJHINLLBQ-UHFFFAOYSA-N 1 0 322.537 4.462 20 30 DIEDRO C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCOCCC#N ZINC000555377713 1048334620 /nfs/dbraw/zinc/33/46/20/1048334620.db2.gz SMFKNGDLOZYPBP-QGZVFWFLSA-N 1 0 308.425 4.277 20 30 DIEDRO Cc1ccc(C#N)cc1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175506346 1048340509 /nfs/dbraw/zinc/34/05/09/1048340509.db2.gz VQYKAFLWJZPTFD-UHFFFAOYSA-N 1 0 303.409 4.068 20 30 DIEDRO Cc1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc1C#N ZINC001175506399 1048342972 /nfs/dbraw/zinc/34/29/72/1048342972.db2.gz XOUKOSLTJCWLPL-UHFFFAOYSA-N 1 0 303.409 4.068 20 30 DIEDRO N#CC1(c2ccccc2F)CC[NH+](CCCc2ccccc2)CC1 ZINC001201682276 1048343332 /nfs/dbraw/zinc/34/33/32/1048343332.db2.gz SZSINRATARYYRD-UHFFFAOYSA-N 1 0 322.427 4.316 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)[C@H]1CCCc2ccc(F)cc21 ZINC001175531304 1048358822 /nfs/dbraw/zinc/35/88/22/1048358822.db2.gz KBCUGKZSODJQTA-FQEVSTJZSA-N 1 0 308.400 4.249 20 30 DIEDRO Cc1ccc2sc(C[N@H+](C)CCc3cccc(C#N)c3)nc2c1 ZINC001175532994 1048359682 /nfs/dbraw/zinc/35/96/82/1048359682.db2.gz SJEAFBUPGGITSR-UHFFFAOYSA-N 1 0 321.449 4.151 20 30 DIEDRO CC[N@H+](Cc1cccc2n[nH]cc21)[C@H](C)c1ccc(C#N)cc1 ZINC000600108382 1048361794 /nfs/dbraw/zinc/36/17/94/1048361794.db2.gz WKNPNQBTKLVHTQ-CQSZACIVSA-N 1 0 304.397 4.018 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000600121538 1048366272 /nfs/dbraw/zinc/36/62/72/1048366272.db2.gz WAIDSUUMCZYLGH-TZIWHRDSSA-N 1 0 315.420 4.440 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001201804713 1048375561 /nfs/dbraw/zinc/37/55/61/1048375561.db2.gz RDCAROUZNZWCOL-ZIAGYGMSSA-N 1 0 313.379 4.074 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC001201814893 1048376051 /nfs/dbraw/zinc/37/60/51/1048376051.db2.gz TUCQAHBRIKYOKG-ZACQAIPSSA-N 1 0 321.465 4.033 20 30 DIEDRO CCCCCCCC[N@H+]1Cc2nn(CC)cc2[C@H](COCC)C1 ZINC001201814253 1048377906 /nfs/dbraw/zinc/37/79/06/1048377906.db2.gz MZPZQGJFMCWOBC-KRWDZBQOSA-N 1 0 321.509 4.199 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCCCCCC)CC2 ZINC001201813183 1048378076 /nfs/dbraw/zinc/37/80/76/1048378076.db2.gz BWZSRVYXKADGNB-FQEVSTJZSA-N 1 0 320.521 4.380 20 30 DIEDRO CCCCCCC[N@@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001201787771 1048379240 /nfs/dbraw/zinc/37/92/40/1048379240.db2.gz LSHKNODNRVAYTK-UHFFFAOYSA-N 1 0 300.368 4.429 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(N(CC)C(=O)CC)CC1 ZINC001201852496 1048381308 /nfs/dbraw/zinc/38/13/08/1048381308.db2.gz AEDDNJJQTWYMIH-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO CCCCCCCCCC[N@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001201852922 1048381712 /nfs/dbraw/zinc/38/17/12/1048381712.db2.gz SGWPNLGRIPOHOZ-GOSISDBHSA-N 1 0 321.509 4.106 20 30 DIEDRO CCCCCCCCC[N@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001201853025 1048381793 /nfs/dbraw/zinc/38/17/93/1048381793.db2.gz YNDFGZOYALMHCE-UHFFFAOYSA-N 1 0 310.526 4.460 20 30 DIEDRO CCCCCCCC[NH+]1CCN(CCc2cccs2)CC1 ZINC001201826163 1048383027 /nfs/dbraw/zinc/38/30/27/1048383027.db2.gz ORTPRNMNDATGLZ-UHFFFAOYSA-N 1 0 308.535 4.269 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001201825990 1048384095 /nfs/dbraw/zinc/38/40/95/1048384095.db2.gz KOEOCYOLIXPHEH-IBGZPJMESA-N 1 0 308.510 4.070 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC000481371815 1048385009 /nfs/dbraw/zinc/38/50/09/1048385009.db2.gz FGCDPNTUQODYCI-FZKQIMNGSA-N 1 0 314.816 4.077 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ncc(C#N)c3ccsc32)c1 ZINC001162908245 1048385410 /nfs/dbraw/zinc/38/54/10/1048385410.db2.gz CDSGDZJPAZQGKO-NSHDSACASA-N 1 0 318.405 4.132 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001201840186 1048386462 /nfs/dbraw/zinc/38/64/62/1048386462.db2.gz WMTOMYQGMHUGEP-GOSISDBHSA-N 1 0 321.509 4.199 20 30 DIEDRO C[C@]1(C2CCCCC2)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001175642798 1048386481 /nfs/dbraw/zinc/38/64/81/1048386481.db2.gz AMTFJIFCHKSBGZ-GOSISDBHSA-N 1 0 313.401 4.011 20 30 DIEDRO C=CCOCc1cccc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1 ZINC001162913858 1048387323 /nfs/dbraw/zinc/38/73/23/1048387323.db2.gz LTWYGNAAXNQDDD-OAHLLOKOSA-N 1 0 306.409 4.353 20 30 DIEDRO C[C@H](C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000600213088 1048389489 /nfs/dbraw/zinc/38/94/89/1048389489.db2.gz QBSQFGXRWUBVDJ-OAHLLOKOSA-N 1 0 308.400 4.054 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001201874652 1048394381 /nfs/dbraw/zinc/39/43/81/1048394381.db2.gz BQUAAVSZABNSQQ-MSOLQXFVSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001201874941 1048394458 /nfs/dbraw/zinc/39/44/58/1048394458.db2.gz LWOUYDSJZJFESV-UHFFFAOYSA-N 1 0 310.482 4.092 20 30 DIEDRO C=CCSCC[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC001201939720 1048398773 /nfs/dbraw/zinc/39/87/73/1048398773.db2.gz VQTGMTWZMGDYNI-UHFFFAOYSA-N 1 0 313.466 4.371 20 30 DIEDRO N#CCCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000555728275 1048430914 /nfs/dbraw/zinc/43/09/14/1048430914.db2.gz IGQWKBGRUNQWRR-UHFFFAOYSA-N 1 0 312.335 4.068 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCc1c(C)noc1C)c1ccc(F)c(F)c1 ZINC000481613869 1048438651 /nfs/dbraw/zinc/43/86/51/1048438651.db2.gz PQWRRGFKGNGUBD-KRWDZBQOSA-N 1 0 306.356 4.019 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000775145242 1048441404 /nfs/dbraw/zinc/44/14/04/1048441404.db2.gz YAGQMZQXPHYZCS-KRWDZBQOSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC001175766779 1048445683 /nfs/dbraw/zinc/44/56/83/1048445683.db2.gz FAEMZUHVQIGKJG-RTWAWAEBSA-N 1 0 320.436 4.279 20 30 DIEDRO Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000775150440 1048448191 /nfs/dbraw/zinc/44/81/91/1048448191.db2.gz JIRFPGPJCCKQKH-QGZVFWFLSA-N 1 0 308.425 4.226 20 30 DIEDRO C=C[C@H](COC)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001202093168 1048448354 /nfs/dbraw/zinc/44/83/54/1048448354.db2.gz SCMRTFCCJWGMGT-GOSISDBHSA-N 1 0 301.817 4.298 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000481657675 1048450915 /nfs/dbraw/zinc/45/09/15/1048450915.db2.gz NITGPRIQYSDDTL-QUCCMNQESA-N 1 0 324.468 4.407 20 30 DIEDRO CC1(C)[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[C@H]2CCCO[C@H]21 ZINC000481661174 1048453186 /nfs/dbraw/zinc/45/31/86/1048453186.db2.gz BHQSWTMWJREECD-UAFMIMERSA-N 1 0 324.468 4.119 20 30 DIEDRO Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000775154642 1048454639 /nfs/dbraw/zinc/45/46/39/1048454639.db2.gz WGBMGJVOBGCNMI-UHFFFAOYSA-N 1 0 321.468 4.285 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)cs1 ZINC001202142955 1048462722 /nfs/dbraw/zinc/46/27/22/1048462722.db2.gz ONKYQGWVGMYCTE-CTYIDZIISA-N 1 0 302.830 4.309 20 30 DIEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1nccc2ccc(C)cc21 ZINC001163472202 1048473753 /nfs/dbraw/zinc/47/37/53/1048473753.db2.gz WTUUBLDFJUINFF-UHFFFAOYSA-N 1 0 318.424 4.032 20 30 DIEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@@H]1C ZINC001202204339 1048480494 /nfs/dbraw/zinc/48/04/94/1048480494.db2.gz UHJRRXPFEWDBEC-ZHALLVOQSA-N 1 0 313.489 4.198 20 30 DIEDRO CCCCCCCC[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001175873078 1048486879 /nfs/dbraw/zinc/48/68/79/1048486879.db2.gz MHBGNJNNCFFGMS-GOSISDBHSA-N 1 0 318.461 4.304 20 30 DIEDRO C=CCCC[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001202258610 1048495205 /nfs/dbraw/zinc/49/52/05/1048495205.db2.gz HBTRYOYBNIUSSR-UHFFFAOYSA-N 1 0 302.643 4.467 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000481820281 1048496552 /nfs/dbraw/zinc/49/65/52/1048496552.db2.gz BVJYRPFQJXTJCE-UHFFFAOYSA-N 1 0 314.791 4.329 20 30 DIEDRO [NH2+]=C(Nc1ccc(CS)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163685536 1048502938 /nfs/dbraw/zinc/50/29/38/1048502938.db2.gz PDDCRLYQPXHUJZ-UHFFFAOYSA-N 1 0 310.344 4.172 20 30 DIEDRO COc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC001163680297 1048504208 /nfs/dbraw/zinc/50/42/08/1048504208.db2.gz NDKPIJZAKJQTLF-UHFFFAOYSA-N 1 0 308.303 4.059 20 30 DIEDRO CCCNc1ccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC001202289246 1048511425 /nfs/dbraw/zinc/51/14/25/1048511425.db2.gz QBKQHRZNKBHAGX-UHFFFAOYSA-N 1 0 307.441 4.287 20 30 DIEDRO C#Cc1cccc(Nc2c(CC[NH+]3CCCC3)cccc2OC)c1 ZINC001175975884 1048514393 /nfs/dbraw/zinc/51/43/93/1048514393.db2.gz WNKDROBZBHVKSL-UHFFFAOYSA-N 1 0 320.436 4.058 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cc(C)c(Br)cn1 ZINC001202349565 1048520022 /nfs/dbraw/zinc/52/00/22/1048520022.db2.gz AROQECAXPKJYIL-UHFFFAOYSA-N 1 0 311.267 4.379 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000775172763 1048520872 /nfs/dbraw/zinc/52/08/72/1048520872.db2.gz JBUOSHCSSIHEDH-BZSNNMDCSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000775172775 1048521210 /nfs/dbraw/zinc/52/12/10/1048521210.db2.gz JBUOSHCSSIHEDH-RCCFBDPRSA-N 1 0 310.526 4.362 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)cc1C ZINC001176000564 1048529290 /nfs/dbraw/zinc/52/92/90/1048529290.db2.gz XNNVYKIAIWAXFX-INIZCTEOSA-N 1 0 308.425 4.343 20 30 DIEDRO COc1ccc(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481932803 1048533088 /nfs/dbraw/zinc/53/30/88/1048533088.db2.gz ONBJEMHTMSSQQX-OAQYLSRUSA-N 1 0 320.436 4.167 20 30 DIEDRO N#CCc1c(F)cccc1NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001163848646 1048537480 /nfs/dbraw/zinc/53/74/80/1048537480.db2.gz UJIZBCQPFYESFQ-UHFFFAOYSA-N 1 0 311.404 4.497 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC001176035780 1048540211 /nfs/dbraw/zinc/54/02/11/1048540211.db2.gz CJAARSAHEJHCSG-OXQOHEQNSA-N 1 0 306.409 4.020 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC001202381070 1048540257 /nfs/dbraw/zinc/54/02/57/1048540257.db2.gz IQJIIQHCXXQOLD-LBPRGKRZSA-N 1 0 309.862 4.280 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc3c2OCCCO3)CCCCC1 ZINC001202409788 1048541184 /nfs/dbraw/zinc/54/11/84/1048541184.db2.gz ZRXIRUYFAFWNKM-UHFFFAOYSA-N 1 0 301.430 4.217 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1c(C)ccc(Br)c1F ZINC001202436424 1048552495 /nfs/dbraw/zinc/55/24/95/1048552495.db2.gz QWVUVIJTODFFMC-UHFFFAOYSA-N 1 0 300.215 4.198 20 30 DIEDRO C=CC(C)(C)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC001202436006 1048552944 /nfs/dbraw/zinc/55/29/44/1048552944.db2.gz PHGLKULJCYTJHK-UHFFFAOYSA-N 1 0 322.246 4.027 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCCc2cccnc21 ZINC000482281342 1048583264 /nfs/dbraw/zinc/58/32/64/1048583264.db2.gz JPHGDHXSUKADPR-KRWDZBQOSA-N 1 0 311.454 4.304 20 30 DIEDRO Cc1cc(C#N)c(Nc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC001176197704 1048596586 /nfs/dbraw/zinc/59/65/86/1048596586.db2.gz YIJJAQAQHBTJJH-UHFFFAOYSA-N 1 0 309.388 4.345 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CCCCCCCCO ZINC001252141309 1048597057 /nfs/dbraw/zinc/59/70/57/1048597057.db2.gz YBUSFDKWSHTPFS-SFHVURJKSA-N 1 0 301.515 4.020 20 30 DIEDRO COCC[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(C)c(C)c1 ZINC001176203099 1048602491 /nfs/dbraw/zinc/60/24/91/1048602491.db2.gz VSGPMDIDLVNYQM-UHFFFAOYSA-N 1 0 322.452 4.018 20 30 DIEDRO C[N@H+](CCSCC1CCC(C#N)CC1)Cc1ccccc1 ZINC001189214679 1048609273 /nfs/dbraw/zinc/60/92/73/1048609273.db2.gz AIVRKCYRDIVOLN-UHFFFAOYSA-N 1 0 302.487 4.182 20 30 DIEDRO C=CCC1(O)CC[NH+](Cc2cc(Cl)cc3ccccc32)CC1 ZINC001176272598 1048626542 /nfs/dbraw/zinc/62/65/42/1048626542.db2.gz JVIKQCPRYVWHIW-UHFFFAOYSA-N 1 0 315.844 4.396 20 30 DIEDRO COc1cc(C[NH2+]CC(C)(C)CCC#N)c(O)c(C(C)(C)C)c1 ZINC000850300808 1048631764 /nfs/dbraw/zinc/63/17/64/1048631764.db2.gz ILEJGYUHJCAAMT-UHFFFAOYSA-N 1 0 318.461 4.118 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](CC(C)C)c2ccccc2C)CC1 ZINC000482629396 1048648205 /nfs/dbraw/zinc/64/82/05/1048648205.db2.gz MWCUEXGXYJNAML-HXUWFJFHSA-N 1 0 300.490 4.322 20 30 DIEDRO C#CCC1([NH2+]CCOc2ccc(Oc3ccccc3)cc2)CCC1 ZINC001176382402 1048650825 /nfs/dbraw/zinc/65/08/25/1048650825.db2.gz YKBATWWXJKKYPN-UHFFFAOYSA-N 1 0 321.420 4.393 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](CCC)c2ccc(Cl)cc2)CC1 ZINC000482639701 1048650840 /nfs/dbraw/zinc/65/08/40/1048650840.db2.gz HGDGSQZSKJMXRN-GOSISDBHSA-N 1 0 306.881 4.421 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC(C)C)c2ccccc2)CC1 ZINC000482632216 1048651880 /nfs/dbraw/zinc/65/18/80/1048651880.db2.gz UQNHCTCISSQBAH-FQEVSTJZSA-N 1 0 300.490 4.404 20 30 DIEDRO C=C(C)c1ccccc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176383350 1048652067 /nfs/dbraw/zinc/65/20/67/1048652067.db2.gz VNEDHXHLHGHNFV-UHFFFAOYSA-N 1 0 322.452 4.338 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)c1ccncc1 ZINC000850435260 1048655379 /nfs/dbraw/zinc/65/53/79/1048655379.db2.gz KQBDRORIPCPFBO-BEFAXECRSA-N 1 0 308.425 4.375 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1cccc(C#N)c1 ZINC000850438266 1048656830 /nfs/dbraw/zinc/65/68/30/1048656830.db2.gz DDXIXTBMVVGSPF-GJZGRUSLSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)C(C)(C)C(F)F)c1 ZINC000850442090 1048658462 /nfs/dbraw/zinc/65/84/62/1048658462.db2.gz AMZCKVNEZXFHOH-OCCSQVGLSA-N 1 0 310.388 4.137 20 30 DIEDRO CCCCN(CC#N)c1ccc([C@@H]2CCCC[N@@H+]2CCC)cn1 ZINC001165159878 1048662898 /nfs/dbraw/zinc/66/28/98/1048662898.db2.gz MJFZZRGCXYACLT-SFHVURJKSA-N 1 0 314.477 4.149 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc2c(c1)CCCC2 ZINC000850463575 1048665532 /nfs/dbraw/zinc/66/55/32/1048665532.db2.gz WCMAREXGZOXEEV-OAQYLSRUSA-N 1 0 319.452 4.319 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000850485877 1048670851 /nfs/dbraw/zinc/67/08/51/1048670851.db2.gz OPECLHRJJKCUCC-QGZVFWFLSA-N 1 0 312.413 4.067 20 30 DIEDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1C ZINC000850522774 1048676471 /nfs/dbraw/zinc/67/64/71/1048676471.db2.gz LJJAHIFWLXHJGO-QGZVFWFLSA-N 1 0 308.425 4.099 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CCC(F)CC1 ZINC000850554745 1048689313 /nfs/dbraw/zinc/68/93/13/1048689313.db2.gz KWVYDIXWEUCDSE-JFBXJRRNSA-N 1 0 304.409 4.156 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2CCC(O)CC2)cc1 ZINC000850555761 1048690589 /nfs/dbraw/zinc/69/05/89/1048690589.db2.gz QAWJUVOUOJDPIA-HPUBIQBYSA-N 1 0 323.864 4.020 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000482873039 1048693512 /nfs/dbraw/zinc/69/35/12/1048693512.db2.gz VGIJOFZQETVYDI-XOBRGWDASA-N 1 0 311.400 4.414 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC001205493591 1048701472 /nfs/dbraw/zinc/70/14/72/1048701472.db2.gz BNNHOAMJAPLSMW-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775361710 1048704274 /nfs/dbraw/zinc/70/42/74/1048704274.db2.gz FGMASZLIMBYMSK-KRWDZBQOSA-N 1 0 322.452 4.006 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCOc1ccccc1F ZINC000775369374 1048710940 /nfs/dbraw/zinc/71/09/40/1048710940.db2.gz AEDJMWFOEPVBAE-LJQANCHMSA-N 1 0 324.399 4.133 20 30 DIEDRO CC(C)(Nc1cc(OCC2CC2)cc[nH+]1)c1ccc(C#N)cc1 ZINC001165742756 1048712360 /nfs/dbraw/zinc/71/23/60/1048712360.db2.gz LWVDYBAADWXSPL-UHFFFAOYSA-N 1 0 307.397 4.089 20 30 DIEDRO CC(C)(Nc1ccc2c(N)cc[nH+]c2c1)c1ccc(C#N)cc1 ZINC001165759377 1048714002 /nfs/dbraw/zinc/71/40/02/1048714002.db2.gz APIZOVDOJRIGHV-UHFFFAOYSA-N 1 0 302.381 4.036 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000775379534 1048731587 /nfs/dbraw/zinc/73/15/87/1048731587.db2.gz DHUKQOPXRKJXJU-JLTOFOAXSA-N 1 0 318.420 4.221 20 30 DIEDRO N#Cc1cc(Nc2ccccc2C[NH+]2CCCCC2)ccc1F ZINC001176615909 1048735657 /nfs/dbraw/zinc/73/56/57/1048735657.db2.gz SWRXZFKMXNIHKK-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC001190476160 1048739377 /nfs/dbraw/zinc/73/93/77/1048739377.db2.gz PDIMGRRPPGGGJZ-LJQANCHMSA-N 1 0 306.409 4.212 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@H+](CC)CC1CCC1 ZINC000483113306 1048739714 /nfs/dbraw/zinc/73/97/14/1048739714.db2.gz BIGBTSNTINMPAT-UHFFFAOYSA-N 1 0 318.486 4.025 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2cc[nH]c2c1 ZINC001190457651 1048740612 /nfs/dbraw/zinc/74/06/12/1048740612.db2.gz OIEMTRHJDSSCNJ-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO CCCCCCCCC[N@H+](C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC001190494519 1048751224 /nfs/dbraw/zinc/75/12/24/1048751224.db2.gz ODJIUSMZLSTDII-KZNAEPCWSA-N 1 0 308.510 4.116 20 30 DIEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000559186466 1048754500 /nfs/dbraw/zinc/75/45/00/1048754500.db2.gz QAZFUZKSDHWHLF-JKSUJKDBSA-N 1 0 313.363 4.134 20 30 DIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000775400958 1048759483 /nfs/dbraw/zinc/75/94/83/1048759483.db2.gz VASHTCQMDPYWRX-LJQANCHMSA-N 1 0 320.436 4.103 20 30 DIEDRO CO[C@H](CC(C)C)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001190615649 1048759652 /nfs/dbraw/zinc/75/96/52/1048759652.db2.gz GSTJOGVJIJGMLK-LJQANCHMSA-N 1 0 302.462 4.077 20 30 DIEDRO CN(CCCc1ccccc1)c1nccc2ccc(C#N)cc21 ZINC001166555360 1048760212 /nfs/dbraw/zinc/76/02/12/1048760212.db2.gz UHCMBQPIHZFLMO-UHFFFAOYSA-N 1 0 301.393 4.175 20 30 DIEDRO C#CC[C@H]([NH2+]CCOc1ccc(SC)cc1)c1ccccc1 ZINC000775400205 1048764998 /nfs/dbraw/zinc/76/49/98/1048764998.db2.gz MSMDYZIKEZOLJN-IBGZPJMESA-N 1 0 311.450 4.142 20 30 DIEDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775402012 1048766387 /nfs/dbraw/zinc/76/63/87/1048766387.db2.gz XHUKKPQRLVNKSU-GQWLDOHISA-N 1 0 320.436 4.037 20 30 DIEDRO COC1(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCCCC1 ZINC000483262466 1048767155 /nfs/dbraw/zinc/76/71/55/1048767155.db2.gz AQVUIKXPCIZSTC-RTBURBONSA-N 1 0 312.457 4.107 20 30 DIEDRO CCN(Cc1ccc(-c2cccc(F)c2F)o1)C[C@@H](C)C#N ZINC000483285211 1048771679 /nfs/dbraw/zinc/77/16/79/1048771679.db2.gz NGJIFECEIYKSGJ-LBPRGKRZSA-N 1 0 304.340 4.206 20 30 DIEDRO CCc1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001204177696 1048786407 /nfs/dbraw/zinc/78/64/07/1048786407.db2.gz BLWUJMWFSWTOIZ-UHFFFAOYSA-N 1 0 320.436 4.164 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)C2CCCCCCC2)cc1 ZINC001190780755 1048787144 /nfs/dbraw/zinc/78/71/44/1048787144.db2.gz NWERZOJDJCUXEB-UHFFFAOYSA-N 1 0 312.457 4.041 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1OC ZINC001176771634 1048788809 /nfs/dbraw/zinc/78/88/09/1048788809.db2.gz OTXRMQBMDJPERY-HNNXBMFYSA-N 1 0 324.262 4.388 20 30 DIEDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000483414070 1048789979 /nfs/dbraw/zinc/78/99/79/1048789979.db2.gz VEKPDFCHJKIYNK-LJQANCHMSA-N 1 0 312.363 4.000 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccccc1 ZINC000775413500 1048790691 /nfs/dbraw/zinc/79/06/91/1048790691.db2.gz FAWPGKNICKAYPG-VVLHAWIVSA-N 1 0 318.511 4.001 20 30 DIEDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000483431378 1048791834 /nfs/dbraw/zinc/79/18/34/1048791834.db2.gz MFFCFSBKQHPTCR-FQEVSTJZSA-N 1 0 308.400 4.055 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001176813658 1048792313 /nfs/dbraw/zinc/79/23/13/1048792313.db2.gz GVEUHELHTSIVLE-QFBILLFUSA-N 1 0 324.509 4.336 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC001176798690 1048793081 /nfs/dbraw/zinc/79/30/81/1048793081.db2.gz WGKAUUHTFSUXNV-JKSUJKDBSA-N 1 0 320.502 4.088 20 30 DIEDRO C=CC[N@@H+](C[C@@H](Cc1ccccc1)OC)CC1CCCCC1 ZINC001190984572 1048811343 /nfs/dbraw/zinc/81/13/43/1048811343.db2.gz JUXHCHWUKNIWLD-HXUWFJFHSA-N 1 0 301.474 4.312 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1F ZINC000483513937 1048813461 /nfs/dbraw/zinc/81/34/61/1048813461.db2.gz POBINUCTQXTGML-SFHVURJKSA-N 1 0 312.363 4.044 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)c(-c2ccsc2)c1 ZINC001177057675 1048819468 /nfs/dbraw/zinc/81/94/68/1048819468.db2.gz JMBZVEAUPZYHQK-UHFFFAOYSA-N 1 0 314.454 4.170 20 30 DIEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000852102501 1048822880 /nfs/dbraw/zinc/82/28/80/1048822880.db2.gz YOADXQBXHUEMOU-IIBYNOLFSA-N 1 0 320.436 4.072 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC001177127506 1048826718 /nfs/dbraw/zinc/82/67/18/1048826718.db2.gz FAWSOXBCIGLBBZ-QUCCMNQESA-N 1 0 323.484 4.383 20 30 DIEDRO CC[C@H](c1ccc(F)cc1)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328466 1048834837 /nfs/dbraw/zinc/83/48/37/1048834837.db2.gz FSFXMKXSXXNXFN-UYAOXDASSA-N 1 0 323.415 4.229 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2nc3ccccc3c(Cl)c2C#N)c1 ZINC001167033177 1048834964 /nfs/dbraw/zinc/83/49/64/1048834964.db2.gz KXOGRRMANITWFH-UHFFFAOYSA-N 1 0 322.799 4.223 20 30 DIEDRO CCCCCCCCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001191067773 1048835236 /nfs/dbraw/zinc/83/52/36/1048835236.db2.gz ANGNZNXXOWODQN-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2cccc(F)c2)cc1Cl ZINC001177136016 1048835325 /nfs/dbraw/zinc/83/53/25/1048835325.db2.gz DNRAJSJNYKKWGR-UHFFFAOYSA-N 1 0 319.807 4.376 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1N1CCCCC1 ZINC000852319269 1048835635 /nfs/dbraw/zinc/83/56/35/1048835635.db2.gz IZONPLFHGIDLPA-SFHVURJKSA-N 1 0 311.473 4.111 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000852408850 1048837075 /nfs/dbraw/zinc/83/70/75/1048837075.db2.gz BQSYFBRSMYZLGQ-OAHLLOKOSA-N 1 0 318.486 4.248 20 30 DIEDRO CCCCCCCCNC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC001191074239 1048839838 /nfs/dbraw/zinc/83/98/38/1048839838.db2.gz NHRDTRFDEQEYQO-KRWDZBQOSA-N 1 0 313.530 4.157 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1F ZINC000852446920 1048840449 /nfs/dbraw/zinc/84/04/49/1048840449.db2.gz NGLMGHJJGKCVIZ-IBGZPJMESA-N 1 0 312.388 4.215 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCC[C@@H](C(C)C)C1)C(C)C ZINC001177222161 1048848216 /nfs/dbraw/zinc/84/82/16/1048848216.db2.gz HXJFGIWFNWKZCI-HSALFYBXSA-N 1 0 306.538 4.489 20 30 DIEDRO CCCCCCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000852566589 1048850479 /nfs/dbraw/zinc/85/04/79/1048850479.db2.gz VNNNTXOISMSTCG-UHFFFAOYSA-N 1 0 300.446 4.124 20 30 DIEDRO CCCCCCCNC(=O)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001191104752 1048852835 /nfs/dbraw/zinc/85/28/35/1048852835.db2.gz QTMZRMMGIBMXSP-UHFFFAOYSA-N 1 0 323.525 4.005 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C1CCC(F)CC1 ZINC000852651070 1048853734 /nfs/dbraw/zinc/85/37/34/1048853734.db2.gz ZWJQKIVYGJUNLD-FUJMWEONSA-N 1 0 324.827 4.249 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CC23CCCCC3)c1 ZINC001203262602 1048854211 /nfs/dbraw/zinc/85/42/11/1048854211.db2.gz DGGUXEYSCLIAAG-HNNXBMFYSA-N 1 0 319.246 4.133 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC001203294718 1048861789 /nfs/dbraw/zinc/86/17/89/1048861789.db2.gz ODJFQCPBICNXLK-QFIPXVFZSA-N 1 0 321.464 4.488 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000852893569 1048864480 /nfs/dbraw/zinc/86/44/80/1048864480.db2.gz OLQSICNMJUOJHH-SJORKVTESA-N 1 0 308.510 4.164 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)C1 ZINC001177312298 1048865428 /nfs/dbraw/zinc/86/54/28/1048865428.db2.gz LMWKACZGJFWTSI-HKUYNNGSSA-N 1 0 313.489 4.296 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCOc2c(C)cccc2C)c1 ZINC001177411903 1048882816 /nfs/dbraw/zinc/88/28/16/1048882816.db2.gz VDYYLLKWSKDCTD-UHFFFAOYSA-N 1 0 311.425 4.037 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000484084390 1048902325 /nfs/dbraw/zinc/90/23/25/1048902325.db2.gz UKRYDVSFWFOZPI-CQSZACIVSA-N 1 0 303.327 4.408 20 30 DIEDRO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)[C@H](c2ccccc2)CO1 ZINC001191234507 1048907061 /nfs/dbraw/zinc/90/70/61/1048907061.db2.gz VEYXLNRQGRQXAY-MJGOQNOKSA-N 1 0 312.457 4.313 20 30 DIEDRO N#CC[C@@H]1CCCN(Cn2c(=S)oc3cc(Cl)ccc32)C1 ZINC000853525289 1048907392 /nfs/dbraw/zinc/90/73/92/1048907392.db2.gz CQJUHSKYCQJNDF-NSHDSACASA-N 1 0 321.833 4.200 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)CCc2ccccc2)cc1 ZINC000111387445 1048907586 /nfs/dbraw/zinc/90/75/86/1048907586.db2.gz VGEAFTYZAQWZLQ-KRWDZBQOSA-N 1 0 322.452 4.478 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(O)c(C(C)(C)C)c1 ZINC000853526444 1048908277 /nfs/dbraw/zinc/90/82/77/1048908277.db2.gz RUAHHLXWYQZGRS-OAHLLOKOSA-N 1 0 300.446 4.124 20 30 DIEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000111411889 1048910122 /nfs/dbraw/zinc/91/01/22/1048910122.db2.gz FVUKPTKQMXSFOT-IERDGZPVSA-N 1 0 319.452 4.060 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC001191269379 1048911366 /nfs/dbraw/zinc/91/13/66/1048911366.db2.gz RNDCOHIAGQORKP-HXUWFJFHSA-N 1 0 310.416 4.459 20 30 DIEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000111411885 1048911396 /nfs/dbraw/zinc/91/13/96/1048911396.db2.gz FVUKPTKQMXSFOT-IIBYNOLFSA-N 1 0 319.452 4.060 20 30 DIEDRO CC(C)(C[NH2+]Cc1csc(C#N)c1)c1cccc(Cl)c1 ZINC001177543029 1048912924 /nfs/dbraw/zinc/91/29/24/1048912924.db2.gz XUAOOLQWZSMNKZ-UHFFFAOYSA-N 1 0 304.846 4.341 20 30 DIEDRO C=CCCCC[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001191288981 1048915307 /nfs/dbraw/zinc/91/53/07/1048915307.db2.gz JNDVAQWRNBCUQM-MRXNPFEDSA-N 1 0 312.498 4.214 20 30 DIEDRO COc1ccc2c(Nc3ccc(F)c(C#N)c3F)cc[nH+]c2c1 ZINC001203526418 1048920478 /nfs/dbraw/zinc/92/04/78/1048920478.db2.gz WKDGGMOIVSTJJM-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO Cc1ccccc1C(C)(C)C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC001177599786 1048921423 /nfs/dbraw/zinc/92/14/23/1048921423.db2.gz PHZLVMAKNQAGSY-UHFFFAOYSA-N 1 0 321.468 4.000 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC001203565488 1048930625 /nfs/dbraw/zinc/93/06/25/1048930625.db2.gz CUPCOOANNLCSFG-UHFFFAOYSA-N 1 0 324.733 4.025 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001203571669 1048932477 /nfs/dbraw/zinc/93/24/77/1048932477.db2.gz JUJLAIHHUUSUJF-UHFFFAOYSA-N 1 0 322.456 4.041 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC001203572976 1048932876 /nfs/dbraw/zinc/93/28/76/1048932876.db2.gz TWLDDDDJMJENJZ-UHFFFAOYSA-N 1 0 301.459 4.287 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC001203572892 1048932954 /nfs/dbraw/zinc/93/29/54/1048932954.db2.gz RFQVDMRCORYBSD-UHFFFAOYSA-N 1 0 320.506 4.305 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc2ncccc12 ZINC001203584169 1048937854 /nfs/dbraw/zinc/93/78/54/1048937854.db2.gz XBFRJFKTUXISOK-UHFFFAOYSA-N 1 0 301.393 4.013 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cccc(OCC)c1O ZINC001203609600 1048939537 /nfs/dbraw/zinc/93/95/37/1048939537.db2.gz ZJHGBDWQMJSGSK-UHFFFAOYSA-N 1 0 311.425 4.369 20 30 DIEDRO COc1ccc2ccccc2c1CC[NH2+]Cc1csc(C#N)c1 ZINC001203639838 1048943657 /nfs/dbraw/zinc/94/36/57/1048943657.db2.gz SVHDXLLSPSYERL-UHFFFAOYSA-N 1 0 322.433 4.114 20 30 DIEDRO COCc1c(C)cc(C)c(C[NH2+]Cc2ccc(C)c(C#N)c2)c1C ZINC001203639518 1048943778 /nfs/dbraw/zinc/94/37/78/1048943778.db2.gz KSFHYFSPTNEZJQ-UHFFFAOYSA-N 1 0 322.452 4.228 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1cncc(C#N)c1 ZINC001191485472 1048952568 /nfs/dbraw/zinc/95/25/68/1048952568.db2.gz HOYXPDYRWBVEQO-UONOGXRCSA-N 1 0 313.832 4.231 20 30 DIEDRO C[C@@H](Cc1cccs1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001191464244 1048954759 /nfs/dbraw/zinc/95/47/59/1048954759.db2.gz JVPZJHURWZLUGA-AWEZNQCLSA-N 1 0 303.858 4.316 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)c1cccc(C#N)c1 ZINC001203665718 1048955621 /nfs/dbraw/zinc/95/56/21/1048955621.db2.gz QKUSMJCEQDSBPC-JTQLQIEISA-N 1 0 320.223 4.298 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000775463175 1048957529 /nfs/dbraw/zinc/95/75/29/1048957529.db2.gz JBMDODZGASFCMS-WOJBJXKFSA-N 1 0 322.452 4.277 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCOc1ccccc1C(C)C ZINC001177894448 1048958999 /nfs/dbraw/zinc/95/89/99/1048958999.db2.gz RPQYYFCYBOXYLG-UHFFFAOYSA-N 1 0 322.452 4.467 20 30 DIEDRO C=C(Cl)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001177905937 1048959415 /nfs/dbraw/zinc/95/94/15/1048959415.db2.gz VRAUBBOSZCFXEP-UHFFFAOYSA-N 1 0 312.844 4.091 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Cc2cccs2)cc1 ZINC000776726212 1048962173 /nfs/dbraw/zinc/96/21/73/1048962173.db2.gz VUUXITAHPAZKTH-HZPDHXFCSA-N 1 0 313.466 4.290 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc(C)s2)cc1 ZINC000776726038 1048963099 /nfs/dbraw/zinc/96/30/99/1048963099.db2.gz RXCSPOCOLCZPFG-HOCLYGCPSA-N 1 0 313.466 4.350 20 30 DIEDRO CCCCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776743192 1048972286 /nfs/dbraw/zinc/97/22/86/1048972286.db2.gz DAIKBPGDRNPXLY-UHFFFAOYSA-N 1 0 319.449 4.124 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000854500259 1048976106 /nfs/dbraw/zinc/97/61/06/1048976106.db2.gz LADMUXQOMCMZIE-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000776747530 1048978327 /nfs/dbraw/zinc/97/83/27/1048978327.db2.gz ZGSNAEMHBFPUNL-UHFFFAOYSA-N 1 0 317.521 4.281 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000776747402 1048979480 /nfs/dbraw/zinc/97/94/80/1048979480.db2.gz XFUGQSCRCRLCPB-AWEZNQCLSA-N 1 0 306.450 4.275 20 30 DIEDRO CCCCCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000776747161 1048980224 /nfs/dbraw/zinc/98/02/24/1048980224.db2.gz OUGDZONGTQIFBI-UHFFFAOYSA-N 1 0 313.489 4.083 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001191691147 1048985701 /nfs/dbraw/zinc/98/57/01/1048985701.db2.gz LGCAGXCMAVWYMM-SJORKVTESA-N 1 0 322.493 4.207 20 30 DIEDRO N#Cc1cccc(C[N@H+](Cc2ccccc2)C2CCSCC2)c1 ZINC001203763998 1048994052 /nfs/dbraw/zinc/99/40/52/1048994052.db2.gz SCYNHOIQPAMSSI-UHFFFAOYSA-N 1 0 322.477 4.456 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC001203764823 1048994178 /nfs/dbraw/zinc/99/41/78/1048994178.db2.gz ZLLINYNNJQFUSD-UHFFFAOYSA-N 1 0 316.326 4.135 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cccc2ncccc12)c1ccccc1 ZINC001178244422 1049000999 /nfs/dbraw/zinc/00/09/99/1049000999.db2.gz PFJPVTOBDFLRHX-IBGZPJMESA-N 1 0 301.393 4.369 20 30 DIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC1(CC#N)CC1 ZINC001191852989 1049004356 /nfs/dbraw/zinc/00/43/56/1049004356.db2.gz IKUNKUNRQYLYSW-UHFFFAOYSA-N 1 0 321.262 4.054 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001178304883 1049014088 /nfs/dbraw/zinc/01/40/88/1049014088.db2.gz QOGJKGGPCZCLCS-OAHLLOKOSA-N 1 0 317.864 4.419 20 30 DIEDRO CCCCCCCC[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001191927956 1049018240 /nfs/dbraw/zinc/01/82/40/1049018240.db2.gz FBUIAXDLUYTKCW-UHFFFAOYSA-N 1 0 316.489 4.113 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001178345547 1049018086 /nfs/dbraw/zinc/01/80/86/1049018086.db2.gz ADOBKNLLCKLWAK-QGZVFWFLSA-N 1 0 304.437 4.070 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000776798509 1049018968 /nfs/dbraw/zinc/01/89/68/1049018968.db2.gz JJFKEHMBBSQYDV-UHFFFAOYSA-N 1 0 323.827 4.204 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)cc3F)CC2)cc1 ZINC001203907395 1049027832 /nfs/dbraw/zinc/02/78/32/1049027832.db2.gz ZNRVVHRMYYNHOW-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccccc2OC(C)C)cc1 ZINC000113325791 1049034169 /nfs/dbraw/zinc/03/41/69/1049034169.db2.gz AKJTYKWHOUEYDS-UHFFFAOYSA-N 1 0 323.436 4.166 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCCCCC2)ccc1OC ZINC000113347931 1049035750 /nfs/dbraw/zinc/03/57/50/1049035750.db2.gz PUOPPEDXELWKSN-QGZVFWFLSA-N 1 0 316.445 4.189 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCc2ccncc2)C(C)(C)C)cc1 ZINC001192052796 1049036095 /nfs/dbraw/zinc/03/60/95/1049036095.db2.gz LAFHOXGWYPKFKM-UHFFFAOYSA-N 1 0 324.468 4.490 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc2ncsc2c1 ZINC000776817065 1049044226 /nfs/dbraw/zinc/04/42/26/1049044226.db2.gz YBTOHRVSZWKZBS-ZDUSSCGKSA-N 1 0 323.421 4.049 20 30 DIEDRO C[C@]1(c2ccccc2)C[N@H+](CCCCC2(C#N)CCC2)CCO1 ZINC001192160355 1049046146 /nfs/dbraw/zinc/04/61/46/1049046146.db2.gz UANFBNJMMMUULB-LJQANCHMSA-N 1 0 312.457 4.098 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C)CC2)cc1OC ZINC001178509751 1049047097 /nfs/dbraw/zinc/04/70/97/1049047097.db2.gz OLLJCDZYOXNKEX-DOTOQJQBSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)C1 ZINC001178532793 1049054077 /nfs/dbraw/zinc/05/40/77/1049054077.db2.gz YBISEZZFDXJXIS-HLIPFELVSA-N 1 0 317.473 4.496 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC001178584734 1049056735 /nfs/dbraw/zinc/05/67/35/1049056735.db2.gz OHIJDOCFQGPUFI-BZNIZROVSA-N 1 0 322.861 4.021 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001192252148 1049059872 /nfs/dbraw/zinc/05/98/72/1049059872.db2.gz GMLFXEXQVWYERN-OALUTQOASA-N 1 0 300.490 4.328 20 30 DIEDRO CCCCCCCC[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001204011514 1049061230 /nfs/dbraw/zinc/06/12/30/1049061230.db2.gz BPHKDSZXMDXPHV-KZNAEPCWSA-N 1 0 313.526 4.281 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3ccccc3C2)cc1Cl ZINC001178561914 1049063697 /nfs/dbraw/zinc/06/36/97/1049063697.db2.gz VHIWELZYACLAAD-GOSISDBHSA-N 1 0 310.828 4.249 20 30 DIEDRO N#Cc1cccc(CN(Cc2ccco2)Cc2ccccc2)c1 ZINC000037077144 1049068171 /nfs/dbraw/zinc/06/81/71/1049068171.db2.gz ANVRCZUGKDZQQG-UHFFFAOYSA-N 1 0 302.377 4.354 20 30 DIEDRO N#CCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCCCC1 ZINC001204052697 1049075001 /nfs/dbraw/zinc/07/50/01/1049075001.db2.gz SXYZGMNTGZRGIK-UHFFFAOYSA-N 1 0 314.429 4.244 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2sccc2C)c1 ZINC000113960892 1049079587 /nfs/dbraw/zinc/07/95/87/1049079587.db2.gz GJRKCLPJNCPATK-HNNXBMFYSA-N 1 0 300.427 4.027 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000113961335 1049080115 /nfs/dbraw/zinc/08/01/15/1049080115.db2.gz WDYHGUCREBOHRT-KRWDZBQOSA-N 1 0 320.392 4.404 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2sccc2C)c1 ZINC000113960894 1049080305 /nfs/dbraw/zinc/08/03/05/1049080305.db2.gz GJRKCLPJNCPATK-OAHLLOKOSA-N 1 0 300.427 4.027 20 30 DIEDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCc1ccc(C#N)cc1 ZINC001192304233 1049082762 /nfs/dbraw/zinc/08/27/62/1049082762.db2.gz RXUUPMFCQFCXTD-GJZGRUSLSA-N 1 0 308.400 4.248 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)cc1 ZINC001178758907 1049085461 /nfs/dbraw/zinc/08/54/61/1049085461.db2.gz MZAXZKDLQPHRIL-UHFFFAOYSA-N 1 0 308.183 4.404 20 30 DIEDRO N#Cc1ccc(F)c(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001204119101 1049087952 /nfs/dbraw/zinc/08/79/52/1049087952.db2.gz WJPOVXSQRZLULF-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(Cl)ccc1O ZINC000775526545 1049094867 /nfs/dbraw/zinc/09/48/67/1049094867.db2.gz LNZXTCFBXLNOMY-MRXNPFEDSA-N 1 0 318.779 4.297 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)c2cccs2)cc1 ZINC000114508757 1049100403 /nfs/dbraw/zinc/10/04/03/1049100403.db2.gz BDWJLUQJITWVSE-CQSZACIVSA-N 1 0 314.454 4.106 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1ccc(OCC#N)cc1 ZINC000776895786 1049102555 /nfs/dbraw/zinc/10/25/55/1049102555.db2.gz DVXLSQMFVTUSRG-HNNXBMFYSA-N 1 0 324.399 4.458 20 30 DIEDRO CCCCCCCc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000904620282 1049106933 /nfs/dbraw/zinc/10/69/33/1049106933.db2.gz GCXZIZOCJXDYKK-UHFFFAOYSA-N 1 0 301.434 4.311 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CC#Cc2ccc(F)cc2)c1 ZINC001192500175 1049111442 /nfs/dbraw/zinc/11/14/42/1049111442.db2.gz HKBGDXULYPOCNN-KKSFZXQISA-N 1 0 323.411 4.269 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1N ZINC001178939855 1049111657 /nfs/dbraw/zinc/11/16/57/1049111657.db2.gz VTYJIZACFIOIOY-MRXNPFEDSA-N 1 0 300.833 4.199 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)cc(OC)c1O ZINC001178950608 1049112375 /nfs/dbraw/zinc/11/23/75/1049112375.db2.gz PZGVWUWSAJZCMJ-ZWKOTPCHSA-N 1 0 315.457 4.045 20 30 DIEDRO N#Cc1cc(C[NH2+]CC2(c3c(F)cccc3F)CCC2)cs1 ZINC001178958727 1049114151 /nfs/dbraw/zinc/11/41/51/1049114151.db2.gz PRRVMYGDKIWJIA-UHFFFAOYSA-N 1 0 318.392 4.109 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2cnccc21 ZINC001178972568 1049115311 /nfs/dbraw/zinc/11/53/11/1049115311.db2.gz VUXOSHCDMUOJLE-OAQYLSRUSA-N 1 0 313.404 4.274 20 30 DIEDRO CN(C)c1ccc(C[NH+]2CCC(CC#N)CC2)c2ccccc21 ZINC001204241821 1049117715 /nfs/dbraw/zinc/11/77/15/1049117715.db2.gz JEYPCJRVPPBAJI-UHFFFAOYSA-N 1 0 307.441 4.031 20 30 DIEDRO CCCC[N@H+](CCC#N)Cc1ccc(N(C)C)c2ccccc12 ZINC001204242806 1049118154 /nfs/dbraw/zinc/11/81/54/1049118154.db2.gz SCSHZAADADVGHH-UHFFFAOYSA-N 1 0 309.457 4.422 20 30 DIEDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c2ccccc21 ZINC001204242745 1049118836 /nfs/dbraw/zinc/11/88/36/1049118836.db2.gz QSATZZJTXBHGDB-MRXNPFEDSA-N 1 0 307.441 4.031 20 30 DIEDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c2ccccc21 ZINC001204242953 1049121195 /nfs/dbraw/zinc/12/11/95/1049121195.db2.gz UORIUWRMZGKXBI-MRXNPFEDSA-N 1 0 307.441 4.031 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000857076720 1049124085 /nfs/dbraw/zinc/12/40/85/1049124085.db2.gz DBNYDHNPHDDDSD-GOSISDBHSA-N 1 0 300.446 4.210 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCOC1CC1)c1ccc(C(F)(F)F)cc1 ZINC001192635550 1049125425 /nfs/dbraw/zinc/12/54/25/1049125425.db2.gz OTQCIEBAWFZPLZ-MRXNPFEDSA-N 1 0 313.363 4.481 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857081627 1049125505 /nfs/dbraw/zinc/12/55/05/1049125505.db2.gz HGBAZQDBWHARKH-UKRRQHHQSA-N 1 0 309.240 4.109 20 30 DIEDRO CCOc1cc(F)cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC001179034873 1049127235 /nfs/dbraw/zinc/12/72/35/1049127235.db2.gz SNZJWVOXRFLPFW-UHFFFAOYSA-N 1 0 324.399 4.265 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O[C@H](C)COC)cc1 ZINC001179142639 1049129779 /nfs/dbraw/zinc/12/97/79/1049129779.db2.gz KGRLBROLOCFFKT-POAQFYNOSA-N 1 0 317.473 4.325 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2cc(Cl)sc2Cl)cc1 ZINC001179142276 1049129990 /nfs/dbraw/zinc/12/99/90/1049129990.db2.gz DPZIALDEVJRQDN-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OCCCCC)cc2)CCOCC1 ZINC001179106742 1049131898 /nfs/dbraw/zinc/13/18/98/1049131898.db2.gz UYJMWWOHJLGMAI-UHFFFAOYSA-N 1 0 317.473 4.471 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)cc1 ZINC001204300089 1049134766 /nfs/dbraw/zinc/13/47/66/1049134766.db2.gz JEAOSCQIZLTABZ-OAQYLSRUSA-N 1 0 323.436 4.043 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)cc1 ZINC001204302172 1049135005 /nfs/dbraw/zinc/13/50/05/1049135005.db2.gz DYUFDEONKJXFMQ-UHFFFAOYSA-N 1 0 315.457 4.175 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)ccc1C#N ZINC001204306114 1049136382 /nfs/dbraw/zinc/13/63/82/1049136382.db2.gz GFEFZOAYZUHNEW-LIRRHRJNSA-N 1 0 324.399 4.289 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC001192867678 1049141453 /nfs/dbraw/zinc/14/14/53/1049141453.db2.gz CGLUHFUAUGKZBN-HXUWFJFHSA-N 1 0 315.457 4.328 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCCC12CC2 ZINC001179304384 1049153170 /nfs/dbraw/zinc/15/31/70/1049153170.db2.gz KMRTZSQOACYVQD-CQSZACIVSA-N 1 0 303.833 4.022 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)cc1 ZINC001204368047 1049153419 /nfs/dbraw/zinc/15/34/19/1049153419.db2.gz CXJYDWUPBUUERT-WOJBJXKFSA-N 1 0 317.473 4.399 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CCC3(COC3)C2)cc1 ZINC001204369114 1049153515 /nfs/dbraw/zinc/15/35/15/1049153515.db2.gz NVEQUANHDIVSSV-UHFFFAOYSA-N 1 0 317.473 4.258 20 30 DIEDRO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2ccccc2C#N)CC1 ZINC001204370579 1049153534 /nfs/dbraw/zinc/15/35/34/1049153534.db2.gz DJJWTAPZDWIEJT-UHFFFAOYSA-N 1 0 316.448 4.347 20 30 DIEDRO CCCCCCCOc1ccc(CN2CCC23COC3)cc1 ZINC001204369571 1049154035 /nfs/dbraw/zinc/15/40/35/1049154035.db2.gz XNUTXIAHPHHMGZ-UHFFFAOYSA-N 1 0 303.446 4.011 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(OCC(C)C)c(OCC)c2)CCCC1 ZINC001179437462 1049163821 /nfs/dbraw/zinc/16/38/21/1049163821.db2.gz HPARTSHYHVOIGU-UHFFFAOYSA-N 1 0 315.457 4.156 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC001179438732 1049163841 /nfs/dbraw/zinc/16/38/41/1049163841.db2.gz ZRIPWMKWZZGDLR-CYBMUJFWSA-N 1 0 305.805 4.017 20 30 DIEDRO C#CC1([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CCCC1 ZINC001179437191 1049164471 /nfs/dbraw/zinc/16/44/71/1049164471.db2.gz BVSFUWNVOOXZMV-UHFFFAOYSA-N 1 0 301.739 4.394 20 30 DIEDRO Cc1ccc(C)c([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)c1 ZINC001193012346 1049165489 /nfs/dbraw/zinc/16/54/89/1049165489.db2.gz QBDXXPYRNGXKCP-KRWDZBQOSA-N 1 0 308.425 4.295 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C2 ZINC001179419010 1049167648 /nfs/dbraw/zinc/16/76/48/1049167648.db2.gz GEPMMEPIZSIQON-QGZVFWFLSA-N 1 0 317.219 4.122 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC001179515990 1049172018 /nfs/dbraw/zinc/17/20/18/1049172018.db2.gz OCQFLIHDTIFAPI-UHFFFAOYSA-N 1 0 301.409 4.298 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cn(-c2ccccc2F)nc1C ZINC001179515956 1049172599 /nfs/dbraw/zinc/17/25/99/1049172599.db2.gz MSECNQLDQDUWSF-UHFFFAOYSA-N 1 0 315.436 4.402 20 30 DIEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001193082332 1049174683 /nfs/dbraw/zinc/17/46/83/1049174683.db2.gz QUSQJAGFCQTWBC-HKUYNNGSSA-N 1 0 300.446 4.276 20 30 DIEDRO C=CC[N@H+](Cc1cc(Br)ccc1F)C(C)(C)C ZINC001204499295 1049176368 /nfs/dbraw/zinc/17/63/68/1049176368.db2.gz PYKBRZQGUMUMFO-UHFFFAOYSA-N 1 0 300.215 4.375 20 30 DIEDRO COc1ccc(C[C@@H](C)C[N@H+](CCC#N)CCC(C)C)cc1F ZINC001204498294 1049177079 /nfs/dbraw/zinc/17/70/79/1049177079.db2.gz YOQPNACIDAEPEL-MRXNPFEDSA-N 1 0 320.452 4.275 20 30 DIEDRO Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001204510747 1049178552 /nfs/dbraw/zinc/17/85/52/1049178552.db2.gz NRFNICGPKVEIIJ-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001179542290 1049179032 /nfs/dbraw/zinc/17/90/32/1049179032.db2.gz YRELNXLKCRLSRS-FQEVSTJZSA-N 1 0 312.501 4.376 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC001179537883 1049179825 /nfs/dbraw/zinc/17/98/25/1049179825.db2.gz TZDCBSABISRNMS-UHFFFAOYSA-N 1 0 323.411 4.049 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)cc1Cl ZINC001179603435 1049183796 /nfs/dbraw/zinc/18/37/96/1049183796.db2.gz YPKNXGGBWSMRHC-JYJNAYRXSA-N 1 0 305.849 4.431 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2CCN(C)[C@H]2C)c1 ZINC001179626691 1049191258 /nfs/dbraw/zinc/19/12/58/1049191258.db2.gz LJMRUINCCLXYGG-PXNSSMCTSA-N 1 0 318.505 4.218 20 30 DIEDRO Cc1cccc([C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001193325120 1049197496 /nfs/dbraw/zinc/19/74/96/1049197496.db2.gz ZWBHGTDKBMSUAI-LJQANCHMSA-N 1 0 309.840 4.489 20 30 DIEDRO CCCCCCC[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000857809436 1049199706 /nfs/dbraw/zinc/19/97/06/1049199706.db2.gz KMDWWWHGYRIVIY-UHFFFAOYSA-N 1 0 320.477 4.061 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000115622310 1049199913 /nfs/dbraw/zinc/19/99/13/1049199913.db2.gz RDRZKWKBWBHJSW-QFBILLFUSA-N 1 0 323.440 4.168 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1OC ZINC001179767767 1049199898 /nfs/dbraw/zinc/19/98/98/1049199898.db2.gz FGHXARLOUGBESC-OFQRWUPVSA-N 1 0 321.848 4.192 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)cc1 ZINC001204642368 1049209276 /nfs/dbraw/zinc/20/92/76/1049209276.db2.gz QVNVWRPPABQTME-UFFVCSGVSA-N 1 0 322.330 4.242 20 30 DIEDRO CCC1(CC)CCC[N@H+](Cc2cc(C#N)ccc2OC)CC1 ZINC001193430330 1049210681 /nfs/dbraw/zinc/21/06/81/1049210681.db2.gz HETNVHIYAONDGW-UHFFFAOYSA-N 1 0 300.446 4.359 20 30 DIEDRO COc1ccc([C@H]2CCCN2Cc2cccc(F)c2C#N)cc1 ZINC000485244904 1049211325 /nfs/dbraw/zinc/21/13/25/1049211325.db2.gz NRZFVCJDXPHVDK-LJQANCHMSA-N 1 0 310.372 4.043 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857916409 1049211879 /nfs/dbraw/zinc/21/18/79/1049211879.db2.gz PVILHUMGEWVHNU-SJORKVTESA-N 1 0 323.827 4.261 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2ccc(C#C[Si](C)(C)C)nc2)cc1 ZINC001204654062 1049212419 /nfs/dbraw/zinc/21/24/19/1049212419.db2.gz GYPQWWOPXIYATJ-UHFFFAOYSA-N 1 0 308.501 4.039 20 30 DIEDRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000858130336 1049221377 /nfs/dbraw/zinc/22/13/77/1049221377.db2.gz HVRQJLLXTZYDDU-CYBMUJFWSA-N 1 0 310.388 4.311 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(OC)c(OC2CC2)c1)c1ccncc1 ZINC000858139030 1049222113 /nfs/dbraw/zinc/22/21/13/1049222113.db2.gz NTCSBZQYPAOWKS-SFHVURJKSA-N 1 0 324.424 4.038 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001179858623 1049222244 /nfs/dbraw/zinc/22/22/44/1049222244.db2.gz HTWMURBPNKPZCC-LJQANCHMSA-N 1 0 322.427 4.461 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2nc(Cl)ccc2C#N)cc1 ZINC001204683776 1049223483 /nfs/dbraw/zinc/22/34/83/1049223483.db2.gz JONVXBGDIOJYFU-UHFFFAOYSA-N 1 0 314.820 4.238 20 30 DIEDRO C=C(C)[C@@H](NC[C@@H]1CCCC[N@H+]1C(C)C)c1ccc(F)c(F)c1 ZINC001193573936 1049224995 /nfs/dbraw/zinc/22/49/95/1049224995.db2.gz CSETZRBSKKEWBE-QFBILLFUSA-N 1 0 322.443 4.435 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(Nc2cc(F)c(C#N)cc2F)cc1 ZINC001204690929 1049227953 /nfs/dbraw/zinc/22/79/53/1049227953.db2.gz NJEWYCRPLYRSFV-UHFFFAOYSA-N 1 0 315.367 4.468 20 30 DIEDRO COc1cccc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)c1C#N ZINC001204700681 1049232292 /nfs/dbraw/zinc/23/22/92/1049232292.db2.gz XOEBNAWIFCNDJT-UHFFFAOYSA-N 1 0 309.413 4.199 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC001193647913 1049238489 /nfs/dbraw/zinc/23/84/89/1049238489.db2.gz BQROUCPYEHJGNG-HSMVNMDESA-N 1 0 321.262 4.235 20 30 DIEDRO CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC001179980946 1049243744 /nfs/dbraw/zinc/24/37/44/1049243744.db2.gz UUAFBMUXASSTHD-UHFFFAOYSA-N 1 0 320.436 4.214 20 30 DIEDRO C=CC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC001179997460 1049246589 /nfs/dbraw/zinc/24/65/89/1049246589.db2.gz NFLFZYJYWAERFD-UHFFFAOYSA-N 1 0 302.296 4.010 20 30 DIEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2cc(C#N)ccn2)C1 ZINC001193743453 1049251229 /nfs/dbraw/zinc/25/12/29/1049251229.db2.gz OOLXTROHVHSFDD-IBGZPJMESA-N 1 0 305.425 4.147 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)c(C)c1 ZINC001179966927 1049255683 /nfs/dbraw/zinc/25/56/83/1049255683.db2.gz UYYGEAOLRWTYLD-UHFFFAOYSA-N 1 0 306.409 4.064 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C(F)F)c3ccccc23)C1 ZINC000858538878 1049270532 /nfs/dbraw/zinc/27/05/32/1049270532.db2.gz PWZBECFXRBBSTB-TZMCWYRMSA-N 1 0 303.356 4.208 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ccc(Cl)cc31)CC2 ZINC000858582033 1049280302 /nfs/dbraw/zinc/28/03/02/1049280302.db2.gz LLMLEVXJESFWNS-OALUTQOASA-N 1 0 308.812 4.476 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@H]2CCCC[C@@H]2C(=O)OC)CCCC1(C)C ZINC001193919526 1049281777 /nfs/dbraw/zinc/28/17/77/1049281777.db2.gz ANUCYOPZECBFFM-IKGGRYGDSA-N 1 0 307.478 4.033 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2cccc(C(=O)OC)c2)CCCC1(C)C ZINC001193921104 1049284582 /nfs/dbraw/zinc/28/45/82/1049284582.db2.gz UAHOJDUMWSWDKD-KRWDZBQOSA-N 1 0 301.430 4.040 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001180114804 1049289989 /nfs/dbraw/zinc/28/99/89/1049289989.db2.gz JLJKVWQLFADMDE-SFHVURJKSA-N 1 0 300.446 4.169 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC001204875943 1049292729 /nfs/dbraw/zinc/29/27/29/1049292729.db2.gz SPVDYPZNEYEIFJ-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO CCCCN(CCC#N)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204879506 1049294661 /nfs/dbraw/zinc/29/46/61/1049294661.db2.gz IAFZEIDXUJRJIB-UHFFFAOYSA-N 1 0 302.315 4.360 20 30 DIEDRO COc1cc(C[N@H+]2CC=C(c3ccc(C)cc3)CC2)ccc1C#N ZINC001180177560 1049295298 /nfs/dbraw/zinc/29/52/98/1049295298.db2.gz CRIDQZMHJNHGAT-UHFFFAOYSA-N 1 0 318.420 4.165 20 30 DIEDRO CCCCCCCOC(=O)Nc1ccc2c(c1)C[N@@H+](C)CC2 ZINC001194012182 1049299300 /nfs/dbraw/zinc/29/93/00/1049299300.db2.gz DKIJSDOJQUJYHO-UHFFFAOYSA-N 1 0 304.434 4.193 20 30 DIEDRO C=CC[N@@H+](Cc1c(C(F)(F)F)cnn1C)CC1CCCCC1 ZINC001204923721 1049312540 /nfs/dbraw/zinc/31/25/40/1049312540.db2.gz NRGUMUKRTWMNLB-UHFFFAOYSA-N 1 0 315.383 4.007 20 30 DIEDRO CC[N@H+](Cc1ccc(SC)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC001180195091 1049313051 /nfs/dbraw/zinc/31/30/51/1049313051.db2.gz QKEPJTGEOFLNOH-ZDUSSCGKSA-N 1 0 300.427 4.456 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC001204937780 1049317944 /nfs/dbraw/zinc/31/79/44/1049317944.db2.gz NUKKKMVGHYLZDU-MRXNPFEDSA-N 1 0 318.461 4.482 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCn2c3ccccc3c3ccccc32)C1 ZINC001180301167 1049327048 /nfs/dbraw/zinc/32/70/48/1049327048.db2.gz JXSBYTGHJLHYCS-IRXDYDNUSA-N 1 0 317.436 4.466 20 30 DIEDRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C)c(C#N)c3)oc21 ZINC000859248883 1049327155 /nfs/dbraw/zinc/32/71/55/1049327155.db2.gz LEZJFKVJNBWDQH-AWEZNQCLSA-N 1 0 320.392 4.472 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)o1 ZINC000485731099 1049328707 /nfs/dbraw/zinc/32/87/07/1049328707.db2.gz TXSXUJSTIGGHDU-ZCNNSNEGSA-N 1 0 306.409 4.309 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)cc1C#N ZINC000859360394 1049330820 /nfs/dbraw/zinc/33/08/20/1049330820.db2.gz GYIYZFSPDDAGOW-HNNXBMFYSA-N 1 0 306.409 4.043 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000924806948 1049344180 /nfs/dbraw/zinc/34/41/80/1049344180.db2.gz RQGIGMMAGBMHOY-LSDHHAIUSA-N 1 0 319.880 4.084 20 30 DIEDRO C=CCC1([NH2+]C2CC(c3cccc(Cl)c3)C2)CCOCC1 ZINC000668552608 1049344473 /nfs/dbraw/zinc/34/44/73/1049344473.db2.gz PPEVWFBRTNFIST-UHFFFAOYSA-N 1 0 305.849 4.301 20 30 DIEDRO C=CCC1([NH2+]C2CC(c3ccc(Cl)cc3)C2)CCOCC1 ZINC000668551042 1049344699 /nfs/dbraw/zinc/34/46/99/1049344699.db2.gz GZASQYBNXSPRDG-UHFFFAOYSA-N 1 0 305.849 4.301 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC001194220033 1049345057 /nfs/dbraw/zinc/34/50/57/1049345057.db2.gz AFSIEUUABJTTNZ-HNNXBMFYSA-N 1 0 323.399 4.164 20 30 DIEDRO C=CCC1([NH2+]C2CCC(c3ccc(O)cc3)CC2)CCOCC1 ZINC000668552445 1049346537 /nfs/dbraw/zinc/34/65/37/1049346537.db2.gz MMRWUDIHSQTOQG-UHFFFAOYSA-N 1 0 315.457 4.133 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC001205052370 1049355823 /nfs/dbraw/zinc/35/58/23/1049355823.db2.gz DQQMBRIJVADBBC-UHFFFAOYSA-N 1 0 323.209 4.244 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485881822 1049357580 /nfs/dbraw/zinc/35/75/80/1049357580.db2.gz ODXDNBRZTUSOFW-UHFFFAOYSA-N 1 0 306.400 4.474 20 30 DIEDRO N#CCSCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485885984 1049361805 /nfs/dbraw/zinc/36/18/05/1049361805.db2.gz XYAJRHVZZJUIRW-IPMKNSEASA-N 1 0 314.498 4.291 20 30 DIEDRO Cc1ccccc1C1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001180688333 1049397644 /nfs/dbraw/zinc/39/76/44/1049397644.db2.gz WADMXLZKWQAQLD-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)ccc1F ZINC001205162586 1049398167 /nfs/dbraw/zinc/39/81/67/1049398167.db2.gz SCUMVNUVMGQCCL-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO C#CCCCCCC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001194633269 1049401637 /nfs/dbraw/zinc/40/16/37/1049401637.db2.gz PSBQSLJVTNWBFC-SFHVURJKSA-N 1 0 305.849 4.377 20 30 DIEDRO Cc1cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)ccc1F ZINC001205193143 1049407230 /nfs/dbraw/zinc/40/72/30/1049407230.db2.gz QYARFJOOFSEIMY-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)ccc1F ZINC001205193085 1049407829 /nfs/dbraw/zinc/40/78/29/1049407829.db2.gz PLHSUMPEEYPDQX-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO C#Cc1ccc(C[N@@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)cc1 ZINC001205225220 1049413271 /nfs/dbraw/zinc/41/32/71/1049413271.db2.gz SZXXEDWDDSBEID-KRWDZBQOSA-N 1 0 319.448 4.477 20 30 DIEDRO CCCCCCCCOC(=O)N(C(C)C)C1CC[NH+](C)CC1 ZINC001194743985 1049415600 /nfs/dbraw/zinc/41/56/00/1049415600.db2.gz WAPJNTAPTPKJKO-UHFFFAOYSA-N 1 0 312.498 4.288 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1F ZINC001205251945 1049416391 /nfs/dbraw/zinc/41/63/91/1049416391.db2.gz RVWVKSLVSZAIIX-LJQANCHMSA-N 1 0 324.399 4.049 20 30 DIEDRO CCCCCCCCOC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001194752172 1049417401 /nfs/dbraw/zinc/41/74/01/1049417401.db2.gz DWEREXDGGFJFAI-OSYLJGHBSA-N 1 0 310.482 4.088 20 30 DIEDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCC1)c1ccc(OCC#N)cc1 ZINC000777153368 1049418402 /nfs/dbraw/zinc/41/84/02/1049418402.db2.gz UVNAYDIKTVKMGJ-QGZVFWFLSA-N 1 0 320.436 4.405 20 30 DIEDRO C[C@H]([NH2+]C1(Cc2ccccc2)CCC1)c1ccc(OCC#N)cc1 ZINC000777153359 1049419239 /nfs/dbraw/zinc/41/92/39/1049419239.db2.gz UVNAYDIKTVKMGJ-KRWDZBQOSA-N 1 0 320.436 4.405 20 30 DIEDRO CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[C@H](C)C1 ZINC001194715563 1049421069 /nfs/dbraw/zinc/42/10/69/1049421069.db2.gz RNALCGHZBJMFOK-DBVUQKKJSA-N 1 0 314.473 4.272 20 30 DIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CCCCC1(C)C ZINC001194791034 1049422375 /nfs/dbraw/zinc/42/23/75/1049422375.db2.gz CUGPXRCPAUBFAO-IBGZPJMESA-N 1 0 314.473 4.223 20 30 DIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CCCCC1(C)C ZINC001194791035 1049422434 /nfs/dbraw/zinc/42/24/34/1049422434.db2.gz CUGPXRCPAUBFAO-LJQANCHMSA-N 1 0 314.473 4.223 20 30 DIEDRO CCCc1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC001194791079 1049422485 /nfs/dbraw/zinc/42/24/85/1049422485.db2.gz FGWRSQABWGIDOP-UHFFFAOYSA-N 1 0 322.452 4.159 20 30 DIEDRO CCCCCCCCOC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001194757054 1049425845 /nfs/dbraw/zinc/42/58/45/1049425845.db2.gz XRITZYUQCBEDER-IRXDYDNUSA-N 1 0 312.498 4.192 20 30 DIEDRO C[C@@H]1CC[C@@H](Nc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC001205320603 1049438023 /nfs/dbraw/zinc/43/80/23/1049438023.db2.gz KMPUNIHQKMVONJ-DYESRHJHSA-N 1 0 319.452 4.218 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001181133752 1049444073 /nfs/dbraw/zinc/44/40/73/1049444073.db2.gz ZOFWWZDPVHBXAX-TVFCKZIOSA-N 1 0 308.510 4.115 20 30 DIEDRO C=CCSCC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001205347694 1049445937 /nfs/dbraw/zinc/44/59/37/1049445937.db2.gz QOIRYODXKCIANM-LBPRGKRZSA-N 1 0 303.393 4.318 20 30 DIEDRO CCCCCCCCCOC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001194919992 1049449034 /nfs/dbraw/zinc/44/90/34/1049449034.db2.gz PEMXUZFEZOESEN-BJWYYQGGSA-N 1 0 310.482 4.088 20 30 DIEDRO CCCCCCCCCOC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001194919944 1049449574 /nfs/dbraw/zinc/44/95/74/1049449574.db2.gz OAMUAWWWGJRFRV-UHFFFAOYSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCCCCCOC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001194928813 1049451264 /nfs/dbraw/zinc/45/12/64/1049451264.db2.gz GXSCGDIQWTYQMZ-BCDXTJNWSA-N 1 0 324.509 4.479 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC(C3CC3)CC2)cc1 ZINC001194890886 1049451295 /nfs/dbraw/zinc/45/12/95/1049451295.db2.gz NNABUZJTPGZZBJ-UHFFFAOYSA-N 1 0 307.359 4.179 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000486690172 1049455569 /nfs/dbraw/zinc/45/55/69/1049455569.db2.gz LCUDCPYOOUHCOI-INIZCTEOSA-N 1 0 303.409 4.321 20 30 DIEDRO COc1ccc(C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)cc1C#N ZINC000775627498 1049460645 /nfs/dbraw/zinc/46/06/45/1049460645.db2.gz JAIMXSPISPXUHN-FQEVSTJZSA-N 1 0 324.424 4.489 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001205434487 1049468689 /nfs/dbraw/zinc/46/86/89/1049468689.db2.gz NVXDOTNNKRSRNX-DEWZPKMOSA-N 1 0 321.411 4.377 20 30 DIEDRO CC(C)[PH+](CCNC(=O)CC1(C#N)CCCCC1)C(C)C ZINC001181389900 1049475559 /nfs/dbraw/zinc/47/55/59/1049475559.db2.gz PBRHTICYTNFYFG-UHFFFAOYSA-N 1 0 310.422 4.265 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)ccc1F ZINC001205459357 1049476107 /nfs/dbraw/zinc/47/61/07/1049476107.db2.gz OTQAIZWDMIYCKX-UHFFFAOYSA-N 1 0 318.395 4.258 20 30 DIEDRO C=C(CC)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486825815 1049481477 /nfs/dbraw/zinc/48/14/77/1049481477.db2.gz VELRJTJUMSIXEU-YLJYHZDGSA-N 1 0 323.440 4.056 20 30 DIEDRO CC1(C)[C@@H]([NH2+]C2CCC(C#N)CC2)C[C@@H]1OCc1ccccc1 ZINC001205488945 1049482872 /nfs/dbraw/zinc/48/28/72/1049482872.db2.gz FSERKPIXYQOTFG-FYOYPEGLSA-N 1 0 312.457 4.042 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](N(C)c3ccc(C)cc3)C2)cc1 ZINC001181514215 1049485434 /nfs/dbraw/zinc/48/54/34/1049485434.db2.gz BABPLPCMFCGKAS-JOCHJYFZSA-N 1 0 318.464 4.077 20 30 DIEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001181577231 1049492120 /nfs/dbraw/zinc/49/21/20/1049492120.db2.gz RATQKKHTSNSNEI-AWEZNQCLSA-N 1 0 307.315 4.467 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001181602649 1049493718 /nfs/dbraw/zinc/49/37/18/1049493718.db2.gz VMTPSLQJRMUVGB-BHDDXSALSA-N 1 0 301.433 4.306 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001181602650 1049493902 /nfs/dbraw/zinc/49/39/02/1049493902.db2.gz VMTPSLQJRMUVGB-VSKRKVRLSA-N 1 0 301.433 4.306 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(OC)ccc1O ZINC000775647233 1049494439 /nfs/dbraw/zinc/49/44/39/1049494439.db2.gz SBZZKKZAWIUQSL-UHFFFAOYSA-N 1 0 323.845 4.304 20 30 DIEDRO Cc1ccc(O)c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000862476194 1049496250 /nfs/dbraw/zinc/49/62/50/1049496250.db2.gz LONYYINBFCIMOG-UHFFFAOYSA-N 1 0 320.436 4.194 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)Cc1ccc(Cl)cc1 ZINC001205576441 1049502635 /nfs/dbraw/zinc/50/26/35/1049502635.db2.gz XPRJFSNBCUIGPY-JQHSSLGASA-N 1 0 307.865 4.232 20 30 DIEDRO C#C[C@H]([NH2+]CC1Cc2ccccc2C1)c1ccc(Cl)cc1F ZINC001181697714 1049508048 /nfs/dbraw/zinc/50/80/48/1049508048.db2.gz MROQIMNVVGFEPW-IBGZPJMESA-N 1 0 313.803 4.158 20 30 DIEDRO Fc1ccc(C2CC[NH+](CC#Cc3ccccc3)CC2)cc1F ZINC001181742622 1049510396 /nfs/dbraw/zinc/51/03/96/1049510396.db2.gz ZKHUEJUJJBHIQW-UHFFFAOYSA-N 1 0 311.375 4.196 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CCCCC1 ZINC001195357807 1049518119 /nfs/dbraw/zinc/51/81/19/1049518119.db2.gz ICSCUTKVDUIIPZ-GFCCVEGCSA-N 1 0 308.372 4.218 20 30 DIEDRO CCC#C[C@@H](C)[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC001195334757 1049520849 /nfs/dbraw/zinc/52/08/49/1049520849.db2.gz WHDSGOBJBYFPAE-CQSZACIVSA-N 1 0 302.487 4.003 20 30 DIEDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000775651897 1049524731 /nfs/dbraw/zinc/52/47/31/1049524731.db2.gz BQNLYJSDJMNMHX-AWEZNQCLSA-N 1 0 324.424 4.053 20 30 DIEDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC001205650746 1049524727 /nfs/dbraw/zinc/52/47/27/1049524727.db2.gz SSFZTKDCEHRBJK-LJQANCHMSA-N 1 0 306.409 4.164 20 30 DIEDRO Cc1ccc(F)c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001205662128 1049526241 /nfs/dbraw/zinc/52/62/41/1049526241.db2.gz XUZJWNFUXMWLHU-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(Br)c1 ZINC001195508811 1049539877 /nfs/dbraw/zinc/53/98/77/1049539877.db2.gz MBHSWFQSDMOVKN-BBRMVZONSA-N 1 0 319.246 4.085 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)Cc1ccccc1SCC ZINC001181891720 1049540942 /nfs/dbraw/zinc/54/09/42/1049540942.db2.gz FGJSQGUQMUEHJK-UAGQMJEPSA-N 1 0 305.487 4.053 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1)C(C)C ZINC001205714146 1049542086 /nfs/dbraw/zinc/54/20/86/1049542086.db2.gz TWKKCVSNRZFRDR-COXVUDFISA-N 1 0 309.375 4.378 20 30 DIEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC001195637894 1049549685 /nfs/dbraw/zinc/54/96/85/1049549685.db2.gz CLXHNGIYKCUQCS-MRXNPFEDSA-N 1 0 313.401 4.011 20 30 DIEDRO C#CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001205740847 1049549768 /nfs/dbraw/zinc/54/97/68/1049549768.db2.gz MDYRAEIAHCQNMU-GHRIWEEISA-N 1 0 320.392 4.134 20 30 DIEDRO CCCN(C)[C@H](C[NH2+]C[C@H](C)CCC#N)c1ccc(Cl)cc1 ZINC001205758665 1049556413 /nfs/dbraw/zinc/55/64/13/1049556413.db2.gz TTYTVKKJYXSVHC-CRAIPNDOSA-N 1 0 321.896 4.252 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001195694649 1049558787 /nfs/dbraw/zinc/55/87/87/1049558787.db2.gz PTHKLHDAQPKNHH-GJZGRUSLSA-N 1 0 308.400 4.420 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001195694651 1049559535 /nfs/dbraw/zinc/55/95/35/1049559535.db2.gz PTHKLHDAQPKNHH-LSDHHAIUSA-N 1 0 308.400 4.420 20 30 DIEDRO C#C[C@@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001182020875 1049564589 /nfs/dbraw/zinc/56/45/89/1049564589.db2.gz OPATZHIQXCLNJO-KZULUSFZSA-N 1 0 303.327 4.172 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC001182109717 1049569451 /nfs/dbraw/zinc/56/94/51/1049569451.db2.gz RMCRGEUMGPDRAY-ZDUSSCGKSA-N 1 0 300.368 4.367 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)c1ccc(Cl)cc1 ZINC001182152814 1049580028 /nfs/dbraw/zinc/58/00/28/1049580028.db2.gz TVORBEQYHAEJQC-INIZCTEOSA-N 1 0 320.219 4.472 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000775674971 1049587062 /nfs/dbraw/zinc/58/70/62/1049587062.db2.gz LMPITAFOKKQKTB-WWGRRREGSA-N 1 0 306.837 4.157 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC001195947823 1049600190 /nfs/dbraw/zinc/60/01/90/1049600190.db2.gz YTZOFOOBOIPMIL-AWEZNQCLSA-N 1 0 300.377 4.269 20 30 DIEDRO Cc1ccc([C@H](C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000119693158 1049600732 /nfs/dbraw/zinc/60/07/32/1049600732.db2.gz ASBOPXPLMNCVOM-IAGOWNOFSA-N 1 0 308.425 4.179 20 30 DIEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000775683340 1049602445 /nfs/dbraw/zinc/60/24/45/1049602445.db2.gz QUWYMNVEMWFTQO-INIZCTEOSA-N 1 0 306.837 4.301 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccsc1)C(C)(C)C ZINC001196021118 1049604892 /nfs/dbraw/zinc/60/48/92/1049604892.db2.gz FJWFCACNXLIFFX-UHFFFAOYSA-N 1 0 314.454 4.429 20 30 DIEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001196023088 1049605238 /nfs/dbraw/zinc/60/52/38/1049605238.db2.gz QQCFLDLZXYKTID-FUHWJXTLSA-N 1 0 307.865 4.064 20 30 DIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488185889 1049610915 /nfs/dbraw/zinc/61/09/15/1049610915.db2.gz QZYDVPPATQIVFN-QGZVFWFLSA-N 1 0 311.454 4.141 20 30 DIEDRO C#C[C@@H]([NH2+][C@H]1CCC12CCC2)c1ccc(Br)cc1 ZINC001205987940 1049619704 /nfs/dbraw/zinc/61/97/04/1049619704.db2.gz BCFRIBYTCZLDRH-CABCVRRESA-N 1 0 304.231 4.046 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccccc1N(C)CC)c1ccc(C#N)cc1 ZINC000774172957 1049617082 /nfs/dbraw/zinc/61/70/82/1049617082.db2.gz FWAPLJWUOTZRCW-LJQANCHMSA-N 1 0 307.441 4.255 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC001205999370 1049623597 /nfs/dbraw/zinc/62/35/97/1049623597.db2.gz XPGYOOYJICFNMZ-VCBZYWHSSA-N 1 0 308.400 4.464 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCC2(CSC2)CC1 ZINC001182325976 1049625554 /nfs/dbraw/zinc/62/55/54/1049625554.db2.gz DPGUQNSFLLYSHG-SFHVURJKSA-N 1 0 301.499 4.439 20 30 DIEDRO C=CC[N@@H+](CCc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC001196198266 1049628429 /nfs/dbraw/zinc/62/84/29/1049628429.db2.gz IEPNPMCHBHUMEK-UHFFFAOYSA-N 1 0 301.352 4.414 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(C#N)cc1 ZINC000774185566 1049628449 /nfs/dbraw/zinc/62/84/49/1049628449.db2.gz CDZQIMSMODLYBV-HXUWFJFHSA-N 1 0 307.441 4.174 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000488298958 1049632002 /nfs/dbraw/zinc/63/20/02/1049632002.db2.gz RGUHJYOKYVWXQE-CYBMUJFWSA-N 1 0 303.381 4.273 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(C)oc2C)c1 ZINC000774243515 1049637043 /nfs/dbraw/zinc/63/70/43/1049637043.db2.gz LIPSQXXLTQXTRI-PBHICJAKSA-N 1 0 312.413 4.428 20 30 DIEDRO C[C@H]1CCC[C@H](C2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)C1 ZINC000864054966 1049638976 /nfs/dbraw/zinc/63/89/76/1049638976.db2.gz FDICMIIMJOXDDV-WMZOPIPTSA-N 1 0 308.469 4.500 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2nc(C)cc2C)cc1 ZINC001196322580 1049642286 /nfs/dbraw/zinc/64/22/86/1049642286.db2.gz OUSFTCVZAPRKEK-BGYRXZFFSA-N 1 0 307.441 4.172 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)c(Br)c1 ZINC001196329131 1049644188 /nfs/dbraw/zinc/64/41/88/1049644188.db2.gz LWUSVWAWJBHYFT-GASCZTMLSA-N 1 0 306.247 4.441 20 30 DIEDRO CC[C@@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C#N)cc1 ZINC000774341477 1049650566 /nfs/dbraw/zinc/65/05/66/1049650566.db2.gz AVXWQFBQMCJGCZ-LJQANCHMSA-N 1 0 311.404 4.322 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC001196442636 1049652930 /nfs/dbraw/zinc/65/29/30/1049652930.db2.gz SEWMRGNDVKSGSS-SFHVURJKSA-N 1 0 311.473 4.413 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC001196480594 1049658963 /nfs/dbraw/zinc/65/89/63/1049658963.db2.gz WNHGQBOVEUJVDA-AWEZNQCLSA-N 1 0 324.490 4.080 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)c1ccccc1C)c1ccc(F)c(F)c1 ZINC000775725954 1049670304 /nfs/dbraw/zinc/67/03/04/1049670304.db2.gz XVOYDCDJTLRGPM-RBUKOAKNSA-N 1 0 317.379 4.214 20 30 DIEDRO Cc1cccc(CCC[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC001196624383 1049677717 /nfs/dbraw/zinc/67/77/17/1049677717.db2.gz ZHFJATPPEWYUTE-UHFFFAOYSA-N 1 0 304.437 4.052 20 30 DIEDRO CC[C@@H](c1ccc(Br)cc1)[N@H+](CC)C[C@H](C)C#N ZINC000488646841 1049684864 /nfs/dbraw/zinc/68/48/64/1049684864.db2.gz YMYZFCDMNNRIIG-DOMZBBRYSA-N 1 0 309.251 4.382 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000121471290 1049685656 /nfs/dbraw/zinc/68/56/56/1049685656.db2.gz JRIRDEQBCNIKEA-INMHGKMJSA-N 1 0 323.864 4.020 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC001206288668 1049700789 /nfs/dbraw/zinc/70/07/89/1049700789.db2.gz WSBAXVMXPKFOKO-LJQANCHMSA-N 1 0 318.464 4.423 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)c1 ZINC001206288946 1049702184 /nfs/dbraw/zinc/70/21/84/1049702184.db2.gz XXDPFVCFMAIJNS-QGZVFWFLSA-N 1 0 303.449 4.268 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc2ccccc21 ZINC001206293923 1049702977 /nfs/dbraw/zinc/70/29/77/1049702977.db2.gz SZBDPIVKSIPGRI-UHFFFAOYSA-N 1 0 320.367 4.149 20 30 DIEDRO C=C[C@H]1CCCCN1C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000488859186 1049705843 /nfs/dbraw/zinc/70/58/43/1049705843.db2.gz DSJNPSNFXLLYQN-IBGZPJMESA-N 1 0 314.473 4.098 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC001182795572 1049710612 /nfs/dbraw/zinc/71/06/12/1049710612.db2.gz GKBJQEILFWEVOC-DLBZAZTESA-N 1 0 324.509 4.071 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001197144207 1049721851 /nfs/dbraw/zinc/72/18/51/1049721851.db2.gz DXQOGYWZCOARKV-DLBZAZTESA-N 1 0 324.509 4.431 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCc1cccc(C#N)c1 ZINC001197115637 1049723743 /nfs/dbraw/zinc/72/37/43/1049723743.db2.gz NMHMSOSGOSQLSB-OAHLLOKOSA-N 1 0 323.396 4.010 20 30 DIEDRO Cc1cccc(C)c1C[N@@H+](Cc1cccc(C#N)n1)CC(C)C ZINC001206392128 1049725581 /nfs/dbraw/zinc/72/55/81/1049725581.db2.gz IRVOCJDPBZASBM-UHFFFAOYSA-N 1 0 307.441 4.228 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC001206465048 1049738781 /nfs/dbraw/zinc/73/87/81/1049738781.db2.gz YCHHYNFZOANUDA-KRWDZBQOSA-N 1 0 321.420 4.333 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401561 1049746692 /nfs/dbraw/zinc/74/66/92/1049746692.db2.gz BLVXSXXZVJLRFX-KRWDZBQOSA-N 1 0 322.456 4.196 20 30 DIEDRO C=CCCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC001197496477 1049757108 /nfs/dbraw/zinc/75/71/08/1049757108.db2.gz KFSIAJBOQZCGKI-HNNXBMFYSA-N 1 0 303.446 4.369 20 30 DIEDRO C=C[C@@H]1CCCCN1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000489494768 1049763407 /nfs/dbraw/zinc/76/34/07/1049763407.db2.gz JXDWFKNOPFEKOH-GFCCVEGCSA-N 1 0 310.319 4.387 20 30 DIEDRO C=CCCSCC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001206591704 1049764329 /nfs/dbraw/zinc/76/43/29/1049764329.db2.gz UPPDPSVNXVIQBB-IAGOWNOFSA-N 1 0 305.487 4.131 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000489599268 1049769284 /nfs/dbraw/zinc/76/92/84/1049769284.db2.gz SRMXVDXATGFUFC-IBGZPJMESA-N 1 0 312.363 4.044 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000489644435 1049772212 /nfs/dbraw/zinc/77/22/12/1049772212.db2.gz AZFRUHFHHNHMFK-HXUWFJFHSA-N 1 0 308.400 4.295 20 30 DIEDRO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCc1ccc(C#N)cc1 ZINC001206644817 1049774573 /nfs/dbraw/zinc/77/45/73/1049774573.db2.gz JUFODYQTVQKGQK-MRXNPFEDSA-N 1 0 317.436 4.193 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1)C1CCOCC1 ZINC001206727456 1049784852 /nfs/dbraw/zinc/78/48/52/1049784852.db2.gz IAQDEGQWKQEILB-HBMCJLEFSA-N 1 0 311.469 4.121 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206828677 1049808885 /nfs/dbraw/zinc/80/88/85/1049808885.db2.gz CJCJESSYPONEMG-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO CCc1cccc(F)c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001207006394 1049818312 /nfs/dbraw/zinc/81/83/12/1049818312.db2.gz AYWGZDVNIRWODU-UHFFFAOYSA-N 1 0 308.400 4.012 20 30 DIEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001207036326 1049823074 /nfs/dbraw/zinc/82/30/74/1049823074.db2.gz XIEHNUJXSAHMPI-VQTJNVASSA-N 1 0 311.473 4.085 20 30 DIEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001207036324 1049823353 /nfs/dbraw/zinc/82/33/53/1049823353.db2.gz XIEHNUJXSAHMPI-PMACEKPBSA-N 1 0 311.473 4.085 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2OCc2ccccc2)C1 ZINC001207049674 1049824256 /nfs/dbraw/zinc/82/42/56/1049824256.db2.gz MKZREKRGKCAFSN-AZUAARDMSA-N 1 0 320.436 4.090 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2OCc2ccccc2)C1 ZINC001207049682 1049824278 /nfs/dbraw/zinc/82/42/78/1049824278.db2.gz MKZREKRGKCAFSN-UYAOXDASSA-N 1 0 320.436 4.090 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000490370037 1049824229 /nfs/dbraw/zinc/82/42/29/1049824229.db2.gz NMTFZRLXARRGIH-UHFFFAOYSA-N 1 0 319.246 4.395 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2OCc2ccccc2)C1 ZINC001207049681 1049825173 /nfs/dbraw/zinc/82/51/73/1049825173.db2.gz MKZREKRGKCAFSN-QUCCMNQESA-N 1 0 320.436 4.090 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207194669 1049860989 /nfs/dbraw/zinc/86/09/89/1049860989.db2.gz YNXSKHXHSDRVIG-IDOKYYSUSA-N 1 0 300.833 4.210 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)cc1C#N ZINC001207311157 1049879039 /nfs/dbraw/zinc/87/90/39/1049879039.db2.gz AOVBWDCVUNGOQR-PZJWPPBQSA-N 1 0 320.436 4.167 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2ccccn2)cc1 ZINC000151447758 1049884347 /nfs/dbraw/zinc/88/43/47/1049884347.db2.gz PBNJUGYWYAHXMZ-OAHLLOKOSA-N 1 0 316.832 4.106 20 30 DIEDRO CCC[N@H+](CCC#N)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207408611 1049888660 /nfs/dbraw/zinc/88/86/60/1049888660.db2.gz ZRVBFVOGOMTXPK-GOSISDBHSA-N 1 0 306.494 4.280 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001207411166 1049889534 /nfs/dbraw/zinc/88/95/34/1049889534.db2.gz GHUIVJIFFCQRPF-RBUKOAKNSA-N 1 0 318.505 4.280 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791337 1049900187 /nfs/dbraw/zinc/90/01/87/1049900187.db2.gz ZIUVFCSEXZOPOO-XJKSGUPXSA-N 1 0 321.380 4.229 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC001207501870 1049900295 /nfs/dbraw/zinc/90/02/95/1049900295.db2.gz MZDWNNTZQNEYRD-RXVVDRJESA-N 1 0 304.437 4.368 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)cc1C#N ZINC001207501871 1049900649 /nfs/dbraw/zinc/90/06/49/1049900649.db2.gz MZDWNNTZQNEYRD-WIYYLYMNSA-N 1 0 304.437 4.368 20 30 DIEDRO CC(C)c1ccc(CC[N@@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001207519862 1049902962 /nfs/dbraw/zinc/90/29/62/1049902962.db2.gz UWESVGCWHWZMIX-UHFFFAOYSA-N 1 0 304.437 4.282 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2ccc(Cl)cc2F)cc1C#N ZINC001207549925 1049907471 /nfs/dbraw/zinc/90/74/71/1049907471.db2.gz ZWHSBPNCWJUFKA-UHFFFAOYSA-N 1 0 320.820 4.362 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001207557191 1049909117 /nfs/dbraw/zinc/90/91/17/1049909117.db2.gz BQDVKFNEURVXIN-MFZZVCTLSA-N 1 0 308.469 4.272 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)c(F)c1 ZINC000187770912 1049911761 /nfs/dbraw/zinc/91/17/61/1049911761.db2.gz IYQRHSGBQVDTNB-QZTJIDSGSA-N 1 0 321.342 4.044 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cncc2ccccc21 ZINC001207613324 1049916923 /nfs/dbraw/zinc/91/69/23/1049916923.db2.gz RJEXWVJNIOEPCT-UHFFFAOYSA-N 1 0 315.420 4.217 20 30 DIEDRO C#CCCOc1ccc(CNc2cc(C)cc(C[NH+](C)C)c2)cc1 ZINC000156427584 1049922792 /nfs/dbraw/zinc/92/27/92/1049922792.db2.gz DQPLYUUXUCPVCL-UHFFFAOYSA-N 1 0 322.452 4.071 20 30 DIEDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000156489163 1049927213 /nfs/dbraw/zinc/92/72/13/1049927213.db2.gz BOMCZWJIOQAECB-OALUTQOASA-N 1 0 324.424 4.110 20 30 DIEDRO C#Cc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001207705559 1049930077 /nfs/dbraw/zinc/93/00/77/1049930077.db2.gz ZXQDSZQCPNHLLF-UHFFFAOYSA-N 1 0 324.855 4.398 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(O[C@H](C#N)CC)c1)c1ccccc1O ZINC000156592507 1049933461 /nfs/dbraw/zinc/93/34/61/1049933461.db2.gz NZEAUYVVVRWGQJ-QFBILLFUSA-N 1 0 324.424 4.314 20 30 DIEDRO C=C[C@@H](CC)CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC001127101563 1049935877 /nfs/dbraw/zinc/93/58/77/1049935877.db2.gz OCTGHECHQQAFTR-INIZCTEOSA-N 1 0 300.446 4.132 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCc1cc2ccc(C(=O)OC)cc2o1 ZINC001207763085 1049936672 /nfs/dbraw/zinc/93/66/72/1049936672.db2.gz KDYBYAWWFNURLU-MRXNPFEDSA-N 1 0 315.413 4.096 20 30 DIEDRO CC(C)O[C@H](C[NH+]1CCC(CCC#N)CC1)c1ccccc1 ZINC000571556991 1049938039 /nfs/dbraw/zinc/93/80/39/1049938039.db2.gz ZLPTYEDVRCSEPB-LJQANCHMSA-N 1 0 300.446 4.168 20 30 DIEDRO CC(C)O[C@@H](C[NH+]1CCC(CCC#N)CC1)c1ccccc1 ZINC000571556990 1049938261 /nfs/dbraw/zinc/93/82/61/1049938261.db2.gz ZLPTYEDVRCSEPB-IBGZPJMESA-N 1 0 300.446 4.168 20 30 DIEDRO N#CCC1CC[NH+](CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001207844861 1049944829 /nfs/dbraw/zinc/94/48/29/1049944829.db2.gz QTCVOMTXGSDUNM-UHFFFAOYSA-N 1 0 310.363 4.264 20 30 DIEDRO C=CCCCCCCCCCN1CCn2c(nnc2C2CC2)C1 ZINC001207899339 1049950908 /nfs/dbraw/zinc/95/09/08/1049950908.db2.gz VYTPTXIKMXZPGS-UHFFFAOYSA-N 1 0 316.493 4.278 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001207899614 1049953287 /nfs/dbraw/zinc/95/32/87/1049953287.db2.gz ISVZMUMABKXXRE-KDURUIRLSA-N 1 0 322.537 4.087 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)c(C)c1OC ZINC000588215981 1049976600 /nfs/dbraw/zinc/97/66/00/1049976600.db2.gz MTEKOJHBUPRKQR-OAHLLOKOSA-N 1 0 324.424 4.043 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Br)s1 ZINC000588232182 1049976786 /nfs/dbraw/zinc/97/67/86/1049976786.db2.gz QOGVAHZSBLMRHY-SNVBAGLBSA-N 1 0 315.280 4.491 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)CC2 ZINC000571963457 1049978423 /nfs/dbraw/zinc/97/84/23/1049978423.db2.gz IRYZSJLOBIYWPM-QGZVFWFLSA-N 1 0 318.754 4.267 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC001208857195 1050017007 /nfs/dbraw/zinc/01/70/07/1050017007.db2.gz XHOBAJMFQHGKDV-HXUWFJFHSA-N 1 0 308.400 4.467 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)cc1 ZINC001208857460 1050017139 /nfs/dbraw/zinc/01/71/39/1050017139.db2.gz FLYRGXMTRUHUQQ-OAQYLSRUSA-N 1 0 320.436 4.034 20 30 DIEDRO N#Cc1cccc(CCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001208851879 1050017373 /nfs/dbraw/zinc/01/73/73/1050017373.db2.gz FRRGPTOXYROHOR-OAQYLSRUSA-N 1 0 304.437 4.370 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001208857445 1050017416 /nfs/dbraw/zinc/01/74/16/1050017416.db2.gz FBHUSVAIFNHDSS-NRFANRHFSA-N 1 0 304.437 4.055 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC001208858486 1050017438 /nfs/dbraw/zinc/01/74/38/1050017438.db2.gz LMWRCGJWRCRVCN-HXUWFJFHSA-N 1 0 322.477 4.281 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001208857543 1050017739 /nfs/dbraw/zinc/01/77/39/1050017739.db2.gz GOCMLKDORUDCHW-NRFANRHFSA-N 1 0 304.437 4.370 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC001208859346 1050017964 /nfs/dbraw/zinc/01/79/64/1050017964.db2.gz XQIUTPOSCKLSSZ-FQEVSTJZSA-N 1 0 305.425 4.113 20 30 DIEDRO CC[N@H+](CCCc1ccc(C#N)cc1)Cc1cccc(F)c1F ZINC001208864822 1050018067 /nfs/dbraw/zinc/01/80/67/1050018067.db2.gz VHVPDYGTLMJQEQ-UHFFFAOYSA-N 1 0 314.379 4.291 20 30 DIEDRO N#Cc1ccc(CCC[NH+]2CCC(c3cccc(O)c3)CC2)cc1 ZINC001208863734 1050018436 /nfs/dbraw/zinc/01/84/36/1050018436.db2.gz CLHREJXQTHOVHX-UHFFFAOYSA-N 1 0 320.436 4.076 20 30 DIEDRO C[N@H+](CCCc1ccc(C#N)cc1)C(C)(C)Cc1ccccc1 ZINC001208864791 1050018642 /nfs/dbraw/zinc/01/86/42/1050018642.db2.gz UFCAUUWXGUNVMZ-UHFFFAOYSA-N 1 0 306.453 4.444 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC001208861752 1050018978 /nfs/dbraw/zinc/01/89/78/1050018978.db2.gz ADSFZBRYSHWJIQ-UHFFFAOYSA-N 1 0 302.421 4.280 20 30 DIEDRO N#Cc1ccc(CC[N@H+]2CC[C@@H](c3ccccc3Cl)C2)cc1 ZINC001208926695 1050022782 /nfs/dbraw/zinc/02/27/82/1050022782.db2.gz YMZZOZXZYBFAIB-QGZVFWFLSA-N 1 0 310.828 4.244 20 30 DIEDRO CC[N@H+](CCc1ccc(C#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208920435 1050023278 /nfs/dbraw/zinc/02/32/78/1050023278.db2.gz IFPHYJKIWFSHNZ-KRWDZBQOSA-N 1 0 322.452 4.062 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000589300390 1050025437 /nfs/dbraw/zinc/02/54/37/1050025437.db2.gz SAUXNLVYVAMDSN-RBUKOAKNSA-N 1 0 324.468 4.021 20 30 DIEDRO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000589300527 1050025614 /nfs/dbraw/zinc/02/56/14/1050025614.db2.gz HXPITBHBIPFIPE-HNNXBMFYSA-N 1 0 318.420 4.175 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CSCc3ccccc31)CC2 ZINC000589336744 1050027328 /nfs/dbraw/zinc/02/73/28/1050027328.db2.gz HUETYQNAMJJSOJ-OALUTQOASA-N 1 0 306.434 4.123 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000589319113 1050029523 /nfs/dbraw/zinc/02/95/23/1050029523.db2.gz MSYVZYBENGNJSG-LLVKDONJSA-N 1 0 318.289 4.102 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C[C@H]1CC[C@H](C(=O)OCC)CC1 ZINC001209005308 1050031363 /nfs/dbraw/zinc/03/13/63/1050031363.db2.gz XVLTZWACSWANIE-WGSAOQKQSA-N 1 0 315.457 4.044 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1c(Cl)cccc1Cl ZINC001209108160 1050036593 /nfs/dbraw/zinc/03/65/93/1050036593.db2.gz BDVFVIYIUIQZKX-XYYAHUGASA-N 1 0 309.240 4.302 20 30 DIEDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589509395 1050037281 /nfs/dbraw/zinc/03/72/81/1050037281.db2.gz JKCCUXLQUYPXDQ-GFCCVEGCSA-N 1 0 319.330 4.131 20 30 DIEDRO N#Cc1ccc(C[NH+]2C3CCCC2CCC3)c(C(F)(F)F)c1 ZINC000589503693 1050037842 /nfs/dbraw/zinc/03/78/42/1050037842.db2.gz YLCVMBQHIPKXCP-UHFFFAOYSA-N 1 0 308.347 4.484 20 30 DIEDRO N#Cc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000589499912 1050038113 /nfs/dbraw/zinc/03/81/13/1050038113.db2.gz KHORBXPADOLZHU-ZIAGYGMSSA-N 1 0 308.347 4.199 20 30 DIEDRO C=CCCC[NH+]1CCC(Oc2ccc(Br)cc2)CC1 ZINC001209160363 1050041147 /nfs/dbraw/zinc/04/11/47/1050041147.db2.gz TYPNORPTYXIPAR-UHFFFAOYSA-N 1 0 324.262 4.259 20 30 DIEDRO C=CCCCC[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC001209201804 1050044103 /nfs/dbraw/zinc/04/41/03/1050044103.db2.gz TTWURDBKAPOZAK-SFHVURJKSA-N 1 0 314.473 4.453 20 30 DIEDRO C=CCCCC[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001209207391 1050044800 /nfs/dbraw/zinc/04/48/00/1050044800.db2.gz WZMWQDMQQJFUAI-UHFFFAOYSA-N 1 0 318.848 4.411 20 30 DIEDRO C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001209423718 1050057379 /nfs/dbraw/zinc/05/73/79/1050057379.db2.gz XXECMXSIXSFKOW-UHFFFAOYSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCCC[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001209427376 1050057427 /nfs/dbraw/zinc/05/74/27/1050057427.db2.gz OVYLPCGHYXMBQH-UHFFFAOYSA-N 1 0 317.355 4.014 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001209429023 1050057486 /nfs/dbraw/zinc/05/74/86/1050057486.db2.gz RQCMZXWIOZZQAG-MRXNPFEDSA-N 1 0 310.482 4.112 20 30 DIEDRO C=CCCCCC[N@H+]1CCc2sc(C(=O)OCC)cc2C1 ZINC001209427305 1050057938 /nfs/dbraw/zinc/05/79/38/1050057938.db2.gz NKDWPAGMDRHDLE-UHFFFAOYSA-N 1 0 307.459 4.029 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001209431689 1050058141 /nfs/dbraw/zinc/05/81/41/1050058141.db2.gz RLZRIFQSGQHRGZ-IBGZPJMESA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209431708 1050058468 /nfs/dbraw/zinc/05/84/68/1050058468.db2.gz RNUXAZRWHFOMNB-HUUCEWRRSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(Oc2ccncc2)CC1 ZINC001209438111 1050059029 /nfs/dbraw/zinc/05/90/29/1050059029.db2.gz GFYONXPVKGPPHG-UHFFFAOYSA-N 1 0 302.462 4.451 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(Oc2cccc(OC)n2)CC1 ZINC001209440814 1050059166 /nfs/dbraw/zinc/05/91/66/1050059166.db2.gz PICPKEXUEADZOT-UHFFFAOYSA-N 1 0 318.461 4.070 20 30 DIEDRO C=CCCCCCC[N@@H+](C)C[C@H]1Cc2cc(OC)c(OC)cc21 ZINC001209441481 1050059378 /nfs/dbraw/zinc/05/93/78/1050059378.db2.gz XDJNIRSGGMUSIK-QGZVFWFLSA-N 1 0 317.473 4.412 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC2(CCn3c(C)cnc32)CC1 ZINC001209441763 1050059448 /nfs/dbraw/zinc/05/94/48/1050059448.db2.gz LSOUQDGQYRYAIG-UHFFFAOYSA-N 1 0 315.505 4.455 20 30 DIEDRO C=CCCCCCCC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001209439007 1050059523 /nfs/dbraw/zinc/05/95/23/1050059523.db2.gz FKGDKEZUVUDFIG-KRWDZBQOSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCCCCN1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001209438996 1050059580 /nfs/dbraw/zinc/05/95/80/1050059580.db2.gz FDWNEDXBBXERBZ-FQEVSTJZSA-N 1 0 322.537 4.088 20 30 DIEDRO C=CCCCCCCC[NH+]1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001209440619 1050059609 /nfs/dbraw/zinc/05/96/09/1050059609.db2.gz AOGQDRVWCSVJLQ-UHFFFAOYSA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001209438022 1050059745 /nfs/dbraw/zinc/05/97/45/1050059745.db2.gz CASSITUSNSLDAS-UHFFFAOYSA-N 1 0 301.478 4.120 20 30 DIEDRO C=CCCCCCCCC[N@H+]1CCC[C@H](c2nnc(C)o2)C1 ZINC001209445690 1050060132 /nfs/dbraw/zinc/06/01/32/1050060132.db2.gz MIOWOTXZRBNVAU-KRWDZBQOSA-N 1 0 305.466 4.474 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001209444510 1050060595 /nfs/dbraw/zinc/06/05/95/1050060595.db2.gz RYVRHSZUJCXPSL-UHFFFAOYSA-N 1 0 321.509 4.033 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC2(CC(=O)N(CC)C2)CC1 ZINC001209446256 1050060602 /nfs/dbraw/zinc/06/06/02/1050060602.db2.gz USJKWQDLEIGMIU-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO CC(C)O[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000589990818 1050070323 /nfs/dbraw/zinc/07/03/23/1050070323.db2.gz BWYJWRZVFZFHRJ-UZLBHIALSA-N 1 0 308.425 4.375 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH]cc(Cl)c21 ZINC001209654729 1050073513 /nfs/dbraw/zinc/07/35/13/1050073513.db2.gz MHRYTNAAKAUMOK-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO C=CCC[N@@H+](Cc1c(C)nc2ccccn21)Cc1ccccc1 ZINC001209651495 1050074144 /nfs/dbraw/zinc/07/41/44/1050074144.db2.gz ZDQCLSPTBKGCOP-UHFFFAOYSA-N 1 0 305.425 4.221 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000590067201 1050076659 /nfs/dbraw/zinc/07/66/59/1050076659.db2.gz BMBBYDIHAHHMQW-ABPVARSCSA-N 1 0 320.436 4.459 20 30 DIEDRO CN(C)c1cccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000590122653 1050078160 /nfs/dbraw/zinc/07/81/60/1050078160.db2.gz JJILHOGCYXZWRG-FQEVSTJZSA-N 1 0 307.441 4.277 20 30 DIEDRO CC(C)c1ccc(OC2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000590154275 1050079968 /nfs/dbraw/zinc/07/99/68/1050079968.db2.gz XNCSKTJOTSSXBT-WMZOPIPTSA-N 1 0 312.457 4.345 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000590190403 1050081117 /nfs/dbraw/zinc/08/11/17/1050081117.db2.gz CEBDPWIBVCUQCT-UHFFFAOYSA-N 1 0 305.208 4.463 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000590198451 1050081351 /nfs/dbraw/zinc/08/13/51/1050081351.db2.gz RRLBVOHRMMFUQN-JOCQHMNTSA-N 1 0 302.830 4.309 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000590190291 1050081482 /nfs/dbraw/zinc/08/14/82/1050081482.db2.gz ZAOOUZCFYHHWJU-HNNXBMFYSA-N 1 0 324.371 4.446 20 30 DIEDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000590246716 1050082754 /nfs/dbraw/zinc/08/27/54/1050082754.db2.gz JCBHXWWHLNBOHB-HNNXBMFYSA-N 1 0 308.425 4.128 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2cc(C#N)ccc2OC)cc1 ZINC001209823758 1050089963 /nfs/dbraw/zinc/08/99/63/1050089963.db2.gz ACJTWSWFXBZFAT-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2cccc(OC)c2C#N)cc1 ZINC001209825103 1050090774 /nfs/dbraw/zinc/09/07/74/1050090774.db2.gz YWMAHDUZANGQKN-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO N#Cc1cccc(C[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000057599657 1050101397 /nfs/dbraw/zinc/10/13/97/1050101397.db2.gz LFIMWWQEELGLLO-UHFFFAOYSA-N 1 0 312.416 4.480 20 30 DIEDRO COc1ccccc1C(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000590643890 1050101577 /nfs/dbraw/zinc/10/15/77/1050101577.db2.gz IHJHLYZDSPOODU-UHFFFAOYSA-N 1 0 300.446 4.035 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C2CC2)cc1 ZINC000057601335 1050101715 /nfs/dbraw/zinc/10/17/15/1050101715.db2.gz LOWCGCCGPSDJMO-MRXNPFEDSA-N 1 0 320.436 4.368 20 30 DIEDRO N#CCCCC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000057626613 1050103793 /nfs/dbraw/zinc/10/37/93/1050103793.db2.gz AHQNVSQKWJCYPU-MRXNPFEDSA-N 1 0 302.468 4.451 20 30 DIEDRO CCC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000590787385 1050106366 /nfs/dbraw/zinc/10/63/66/1050106366.db2.gz RIHVHXRKSRYFLO-UHFFFAOYSA-N 1 0 303.409 4.223 20 30 DIEDRO CCOc1ccc(C[C@H](C)C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000590781204 1050106574 /nfs/dbraw/zinc/10/65/74/1050106574.db2.gz FVKFJUUSEWROIN-INIZCTEOSA-N 1 0 302.462 4.183 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000224696630 1050112176 /nfs/dbraw/zinc/11/21/76/1050112176.db2.gz GWDIXKGJNMIZBX-NSHDSACASA-N 1 0 306.203 4.259 20 30 DIEDRO Cc1cc(N)[nH+]cc1Nc1sc2cc(Cl)ccc2c1C#N ZINC001209964852 1050112319 /nfs/dbraw/zinc/11/23/19/1050112319.db2.gz GCJSUYRVDMKSTI-UHFFFAOYSA-N 1 0 314.801 4.456 20 30 DIEDRO N#CC1(CC[NH2+][C@@H](Cn2cccn2)c2ccccc2)CCCCC1 ZINC000591018808 1050118130 /nfs/dbraw/zinc/11/81/30/1050118130.db2.gz DLSXOSXOAVIXLS-IBGZPJMESA-N 1 0 322.456 4.078 20 30 DIEDRO C[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000591051052 1050120925 /nfs/dbraw/zinc/12/09/25/1050120925.db2.gz RICUNFMOMYPBHD-UXHICEINSA-N 1 0 305.425 4.111 20 30 DIEDRO C[N@H+](Cc1ccccc1Nc1cncc(C#N)c1)C1CCCCC1 ZINC001210092248 1050134963 /nfs/dbraw/zinc/13/49/63/1050134963.db2.gz WGBIEGUNQZANGY-UHFFFAOYSA-N 1 0 320.440 4.461 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000591348891 1050141865 /nfs/dbraw/zinc/14/18/65/1050141865.db2.gz WJNUCYCFGITWAF-UXHICEINSA-N 1 0 324.374 4.491 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000591348837 1050141928 /nfs/dbraw/zinc/14/19/28/1050141928.db2.gz IPLOTMFWGIYBRN-FOIQADDNSA-N 1 0 305.425 4.298 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3CCc4c(Cl)cccc4C3)(CC1)CC2 ZINC001171027399 1050152079 /nfs/dbraw/zinc/15/20/79/1050152079.db2.gz SIZTVADTKUVYLW-VNCLNFNDSA-N 1 0 314.860 4.403 20 30 DIEDRO CC[C@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000770390110 1050154698 /nfs/dbraw/zinc/15/46/98/1050154698.db2.gz KDNALUZYDRUFDP-NQIIRXRSSA-N 1 0 320.436 4.125 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)c1cccc(OC)c1 ZINC000045806484 1050156587 /nfs/dbraw/zinc/15/65/87/1050156587.db2.gz UXRCFIARNRKECP-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO CC(C)(C)c1ccc([C@@H](O)C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000823871406 1050163292 /nfs/dbraw/zinc/16/32/92/1050163292.db2.gz GXHKPWOYASKAOK-FDYSRKEFSA-N 1 0 314.473 4.080 20 30 DIEDRO C=CCOCCC[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000348024887 1050167299 /nfs/dbraw/zinc/16/72/99/1050167299.db2.gz CNAIZEHYGQZAIB-HNNXBMFYSA-N 1 0 308.491 4.039 20 30 DIEDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000824153290 1050187936 /nfs/dbraw/zinc/18/79/36/1050187936.db2.gz GRDLIUBQNAXVJD-UHFFFAOYSA-N 1 0 313.470 4.024 20 30 DIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000591761355 1050200731 /nfs/dbraw/zinc/20/07/31/1050200731.db2.gz CGDXCCLTOPVWPR-KKSFZXQISA-N 1 0 315.420 4.374 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000573536690 1050203678 /nfs/dbraw/zinc/20/36/78/1050203678.db2.gz SOSIIEDTMZPLHL-CYBMUJFWSA-N 1 0 303.381 4.191 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000734158388 1050231758 /nfs/dbraw/zinc/23/17/58/1050231758.db2.gz HJVJINVXFBBBFD-CYBMUJFWSA-N 1 0 317.791 4.342 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1[nH]c(C)c(CCC(=O)OC)c1C ZINC001136918595 1050232818 /nfs/dbraw/zinc/23/28/18/1050232818.db2.gz XFQDAFGJTJCGBR-UHFFFAOYSA-N 1 0 322.493 4.139 20 30 DIEDRO C[N@H+](Cc1ccncc1C#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000592125207 1050270494 /nfs/dbraw/zinc/27/04/94/1050270494.db2.gz UXDMYEBFKXTHBW-WOJBJXKFSA-N 1 0 305.425 4.111 20 30 DIEDRO N#CCCC1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000592136097 1050270592 /nfs/dbraw/zinc/27/05/92/1050270592.db2.gz PUJNIIBYNZMTDU-UHFFFAOYSA-N 1 0 321.424 4.390 20 30 DIEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2ccncc2C#N)C1 ZINC000592121552 1050270740 /nfs/dbraw/zinc/27/07/40/1050270740.db2.gz STVKWIVAOLAVKD-IBGZPJMESA-N 1 0 305.425 4.147 20 30 DIEDRO Cc1ccc(C#N)cc1Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001210502133 1050271912 /nfs/dbraw/zinc/27/19/12/1050271912.db2.gz IILUDKOYCUKQEG-UHFFFAOYSA-N 1 0 321.424 4.083 20 30 DIEDRO CCCC[N@H+](CCC(C)(C)C#N)[C@H]1CCc2ncsc2C1 ZINC000592187210 1050274508 /nfs/dbraw/zinc/27/45/08/1050274508.db2.gz IHUGXUBCHMVCKF-AWEZNQCLSA-N 1 0 305.491 4.042 20 30 DIEDRO C[C@@H]1CCC[C@@H](CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000734508686 1050278469 /nfs/dbraw/zinc/27/84/69/1050278469.db2.gz BVFQMHJMKDLFLH-MSOLQXFVSA-N 1 0 313.489 4.342 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)c(Cl)c1 ZINC000592212163 1050282982 /nfs/dbraw/zinc/28/29/82/1050282982.db2.gz PUTXKOKYZXHHSJ-OCCSQVGLSA-N 1 0 316.754 4.422 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000592291161 1050287459 /nfs/dbraw/zinc/28/74/59/1050287459.db2.gz QWUOPHOKOBIJHC-UHFFFAOYSA-N 1 0 320.480 4.484 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(c3ccccc3F)CCC1)CC2 ZINC000592397809 1050294645 /nfs/dbraw/zinc/29/46/45/1050294645.db2.gz UGTQUZUZXMKQRH-IBGZPJMESA-N 1 0 306.384 4.354 20 30 DIEDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592391611 1050296838 /nfs/dbraw/zinc/29/68/38/1050296838.db2.gz IZETXHBPCVTLMJ-ZDUSSCGKSA-N 1 0 314.816 4.265 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592391634 1050297154 /nfs/dbraw/zinc/29/71/54/1050297154.db2.gz QAPUAZQLBYMUMS-CYBMUJFWSA-N 1 0 313.470 4.492 20 30 DIEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccncc1 ZINC000592390242 1050298022 /nfs/dbraw/zinc/29/80/22/1050298022.db2.gz KNNYIJCEFKTCKY-GOSISDBHSA-N 1 0 313.832 4.484 20 30 DIEDRO N#CCC[N@H+](Cc1ccc2[nH]cnc2c1)C1CCCCCCC1 ZINC001137045848 1050313159 /nfs/dbraw/zinc/31/31/59/1050313159.db2.gz XFPIJSSAWGCCAO-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001143362272 1050318110 /nfs/dbraw/zinc/31/81/10/1050318110.db2.gz UBVUNZCOYWWIIA-NSHDSACASA-N 1 0 317.738 4.084 20 30 DIEDRO CCCCCCC[C@H](C)N[C@@H]([C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC001246484976 1050336277 /nfs/dbraw/zinc/33/62/77/1050336277.db2.gz GBZHNSKOFAGRPM-ZNMIVQPWSA-N 1 0 308.432 4.256 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001143715347 1050337761 /nfs/dbraw/zinc/33/77/61/1050337761.db2.gz HQJSDYAVHSIPKB-NSHDSACASA-N 1 0 301.739 4.204 20 30 DIEDRO CC(C)(C)n1cc(C#N)cc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210704094 1050340866 /nfs/dbraw/zinc/34/08/66/1050340866.db2.gz FOMYQFVXWFJCOJ-QGZVFWFLSA-N 1 0 312.461 4.059 20 30 DIEDRO N#Cc1cc(F)c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC001210713509 1050344694 /nfs/dbraw/zinc/34/46/94/1050344694.db2.gz ZYZKAXYJGTYHHY-AWEZNQCLSA-N 1 0 319.811 4.295 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCNc2cc(Br)ccc21 ZINC001246500531 1050349556 /nfs/dbraw/zinc/34/95/56/1050349556.db2.gz PSFWKEKZBUVDGQ-FZMZJTMJSA-N 1 0 309.251 4.250 20 30 DIEDRO CC(C)([NH2+][C@H]1CCc2cc(F)ccc2C1)c1ccc(C#N)cc1 ZINC001168402222 1050354051 /nfs/dbraw/zinc/35/40/51/1050354051.db2.gz FAPADJCDAVGWBH-IBGZPJMESA-N 1 0 308.400 4.080 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171105322 1050356712 /nfs/dbraw/zinc/35/67/12/1050356712.db2.gz SFRUQWYMAJPFQU-FXAWDEMLSA-N 1 0 322.839 4.346 20 30 DIEDRO CC(C)([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000735310140 1050372978 /nfs/dbraw/zinc/37/29/78/1050372978.db2.gz RDWOPFNNOCRLBP-UHFFFAOYSA-N 1 0 314.816 4.267 20 30 DIEDRO C[C@@H](c1cccs1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735308601 1050373973 /nfs/dbraw/zinc/37/39/73/1050373973.db2.gz KQHREWQYACFCTD-LBPRGKRZSA-N 1 0 320.845 4.497 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1ccccc1 ZINC000785503180 1050383050 /nfs/dbraw/zinc/38/30/50/1050383050.db2.gz IVZZBTRVETVHBE-INIZCTEOSA-N 1 0 308.406 4.257 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000735490063 1050398329 /nfs/dbraw/zinc/39/83/29/1050398329.db2.gz BGUHJHVYLDSQNH-IRXDYDNUSA-N 1 0 322.493 4.064 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785867897 1050424927 /nfs/dbraw/zinc/42/49/27/1050424927.db2.gz DNYCRTZLPMADLC-UHFFFAOYSA-N 1 0 322.453 4.179 20 30 DIEDRO CC(C)[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000058822992 1050430342 /nfs/dbraw/zinc/43/03/42/1050430342.db2.gz VJJASNUDUBHGCJ-UHFFFAOYSA-N 1 0 308.425 4.238 20 30 DIEDRO CCCCCCCCCN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000785933114 1050432548 /nfs/dbraw/zinc/43/25/48/1050432548.db2.gz NSLNQMUBPZCGTH-UHFFFAOYSA-N 1 0 301.434 4.157 20 30 DIEDRO CC[C@@H](OCC[NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000593664651 1050433019 /nfs/dbraw/zinc/43/30/19/1050433019.db2.gz RVCTYPUNNIFLQO-JLAWEPINSA-N 1 0 300.446 4.216 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000593719895 1050436929 /nfs/dbraw/zinc/43/69/29/1050436929.db2.gz IZGOMKMHAFRNDA-IUODEOHRSA-N 1 0 308.347 4.366 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3Br)CCC2)C1 ZINC000593717208 1050437329 /nfs/dbraw/zinc/43/73/29/1050437329.db2.gz ZNFJJDZHKRECHW-OLZOCXBDSA-N 1 0 319.246 4.110 20 30 DIEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000786125576 1050457666 /nfs/dbraw/zinc/45/76/66/1050457666.db2.gz NURKJJKCWKIVKU-FXAWDEMLSA-N 1 0 320.436 4.275 20 30 DIEDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000786125578 1050457883 /nfs/dbraw/zinc/45/78/83/1050457883.db2.gz NURKJJKCWKIVKU-XLIONFOSSA-N 1 0 320.436 4.275 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001171139041 1050464417 /nfs/dbraw/zinc/46/44/17/1050464417.db2.gz IJYSSUGEHLWKLJ-CYBMUJFWSA-N 1 0 309.240 4.134 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C(=O)OCC(C)(C)CCC#N)cc1 ZINC000805949500 1050468231 /nfs/dbraw/zinc/46/82/31/1050468231.db2.gz YWTYTDWFTHKSIF-UHFFFAOYSA-N 1 0 316.445 4.015 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2cc(C#N)ccc2C(F)(F)F)cc1 ZINC001211131799 1050490412 /nfs/dbraw/zinc/49/04/12/1050490412.db2.gz SZOOESCHJHPKKA-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO N#CC1(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000574518612 1050491348 /nfs/dbraw/zinc/49/13/48/1050491348.db2.gz OTJSXWIXYKDIPI-KRWDZBQOSA-N 1 0 300.471 4.078 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cc(C#N)ccc2C(F)(F)F)c1 ZINC001211139402 1050493779 /nfs/dbraw/zinc/49/37/79/1050493779.db2.gz CLEZXTIMYCCJHW-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@H](F)C2)ccc1OC ZINC000574571669 1050498377 /nfs/dbraw/zinc/49/83/77/1050498377.db2.gz LOPUMUGEIQZDBA-JKSUJKDBSA-N 1 0 307.409 4.020 20 30 DIEDRO C#CCCC[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000766221236 1050500632 /nfs/dbraw/zinc/50/06/32/1050500632.db2.gz FWKGCBBAQKAXMW-INIZCTEOSA-N 1 0 310.466 4.499 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCC2(COC)CCC2)cc1Cl ZINC000574706745 1050510690 /nfs/dbraw/zinc/51/06/90/1050510690.db2.gz DXOLLJLFOPKYDJ-UHFFFAOYSA-N 1 0 323.864 4.201 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594497105 1050518015 /nfs/dbraw/zinc/51/80/15/1050518015.db2.gz BHVINELDIQOYJY-UHFFFAOYSA-N 1 0 322.452 4.485 20 30 DIEDRO COc1ccc(C)cc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494869 1050518240 /nfs/dbraw/zinc/51/82/40/1050518240.db2.gz JQCYINYTUFMLDU-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498526 1050518332 /nfs/dbraw/zinc/51/83/32/1050518332.db2.gz RIHZWMQQFFVQSZ-IEBWSBKVSA-N 1 0 314.473 4.029 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594506937 1050520234 /nfs/dbraw/zinc/52/02/34/1050520234.db2.gz ZXGMEYNGTVYQOR-UHFFFAOYSA-N 1 0 320.436 4.342 20 30 DIEDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594500356 1050520515 /nfs/dbraw/zinc/52/05/15/1050520515.db2.gz PLESXIHJYIXNJR-OALUTQOASA-N 1 0 314.473 4.171 20 30 DIEDRO C[NH+](C)CCc1ccc(NCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594505543 1050520740 /nfs/dbraw/zinc/52/07/40/1050520740.db2.gz SWHNGFLXYJNLGB-UHFFFAOYSA-N 1 0 321.468 4.204 20 30 DIEDRO Cc1cc(NCc2ccc(C(C)(C)C#N)cc2)ccc1C[NH+](C)C ZINC000594507951 1050522746 /nfs/dbraw/zinc/52/27/46/1050522746.db2.gz RJWWPLPIIUKWLC-UHFFFAOYSA-N 1 0 321.468 4.470 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4c3cc(F)cc4F)CCC2)cc1 ZINC000594516092 1050524762 /nfs/dbraw/zinc/52/47/62/1050524762.db2.gz AXIZBNDOJDKKQU-LJQANCHMSA-N 1 0 324.374 4.493 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]C1(c3ccc(C#N)cc3)CCC1)CC2 ZINC000594512115 1050525075 /nfs/dbraw/zinc/52/50/75/1050525075.db2.gz BSMMVUSRGKSMMC-HXUWFJFHSA-N 1 0 318.420 4.223 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(C#N)c1 ZINC000594516864 1050525291 /nfs/dbraw/zinc/52/52/91/1050525291.db2.gz GRTXZBDTTNFDAV-HNNXBMFYSA-N 1 0 301.393 4.160 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1cnn(C(C)(C)C)c1C)c1ccncc1 ZINC000786910359 1050526420 /nfs/dbraw/zinc/52/64/20/1050526420.db2.gz DTFUEHSHQVAILW-KDOFPFPSSA-N 1 0 312.461 4.310 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCO2 ZINC000594512801 1050526509 /nfs/dbraw/zinc/52/65/09/1050526509.db2.gz DQAFYHNOZPYMHT-CQSZACIVSA-N 1 0 320.392 4.017 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccccc1N(C)C ZINC000594520136 1050528002 /nfs/dbraw/zinc/52/80/02/1050528002.db2.gz ZZPFQAJVXXHKGO-INIZCTEOSA-N 1 0 319.452 4.354 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000594516610 1050528347 /nfs/dbraw/zinc/52/83/47/1050528347.db2.gz SKVOZPTYCBRHLS-AWEZNQCLSA-N 1 0 321.380 4.196 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CSc3ccccc32)cc1 ZINC000594518678 1050528982 /nfs/dbraw/zinc/52/89/82/1050528982.db2.gz KKXVLRJSOUBMDJ-MRXNPFEDSA-N 1 0 322.477 4.467 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000786916508 1050529441 /nfs/dbraw/zinc/52/94/41/1050529441.db2.gz LTVOLJDUWRQGES-LBPRGKRZSA-N 1 0 305.830 4.264 20 30 DIEDRO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000738339833 1050529638 /nfs/dbraw/zinc/52/96/38/1050529638.db2.gz KFUXFGSEGPLYSM-OAHLLOKOSA-N 1 0 324.399 4.086 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)cc1 ZINC000594521731 1050530819 /nfs/dbraw/zinc/53/08/19/1050530819.db2.gz UBLXMTBTYWQVGL-MRXNPFEDSA-N 1 0 306.400 4.403 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000738312447 1050531139 /nfs/dbraw/zinc/53/11/39/1050531139.db2.gz OQMIWGRZTOYNPG-IEBWSBKVSA-N 1 0 320.436 4.275 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)cc1 ZINC000594521730 1050531109 /nfs/dbraw/zinc/53/11/09/1050531109.db2.gz UBLXMTBTYWQVGL-INIZCTEOSA-N 1 0 306.400 4.403 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)Cc2ccc(C)s2)cc1 ZINC000738435340 1050533160 /nfs/dbraw/zinc/53/31/60/1050533160.db2.gz GLYBSEJTBIVZJA-OAHLLOKOSA-N 1 0 313.466 4.179 20 30 DIEDRO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc(C)c1O ZINC000594624418 1050540872 /nfs/dbraw/zinc/54/08/72/1050540872.db2.gz PBXPUWZJTLDHTF-UHFFFAOYSA-N 1 0 306.409 4.050 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000787029908 1050542965 /nfs/dbraw/zinc/54/29/65/1050542965.db2.gz ZAUCAPCELCIKMX-VQTJNVASSA-N 1 0 318.420 4.221 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000787034114 1050543010 /nfs/dbraw/zinc/54/30/10/1050543010.db2.gz JCRFBWXHBUXGPZ-LZWOXQAQSA-N 1 0 308.347 4.256 20 30 DIEDRO C#CC[N@H+](Cc1ccc2cnccc2c1)[C@H]1CCc2ccccc21 ZINC000787039432 1050543165 /nfs/dbraw/zinc/54/31/65/1050543165.db2.gz JAQNJARBEVHPNQ-QFIPXVFZSA-N 1 0 312.416 4.358 20 30 DIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc(CC#N)c3F)c2c1 ZINC001171166060 1050549041 /nfs/dbraw/zinc/54/90/41/1050549041.db2.gz BFJXAECSJFQKIA-AWEZNQCLSA-N 1 0 321.399 4.034 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1cccc(C#N)c1 ZINC000594721977 1050550220 /nfs/dbraw/zinc/55/02/20/1050550220.db2.gz NEUMCAXNYAXFPZ-ZDUSSCGKSA-N 1 0 310.372 4.089 20 30 DIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc(C)c3C#N)c2c1 ZINC001171168169 1050551393 /nfs/dbraw/zinc/55/13/93/1050551393.db2.gz KNTJAHHTBHFDAH-HNNXBMFYSA-N 1 0 303.409 4.009 20 30 DIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc(C)c3C#N)c2c1 ZINC001171168171 1050552566 /nfs/dbraw/zinc/55/25/66/1050552566.db2.gz KNTJAHHTBHFDAH-OAHLLOKOSA-N 1 0 303.409 4.009 20 30 DIEDRO N#Cc1cnccc1SCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000594913775 1050560505 /nfs/dbraw/zinc/56/05/05/1050560505.db2.gz FVYWASCNJIDGTQ-UHFFFAOYSA-N 1 0 323.465 4.231 20 30 DIEDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594919163 1050562421 /nfs/dbraw/zinc/56/24/21/1050562421.db2.gz PJVRRAHUCRXSPA-HNNXBMFYSA-N 1 0 306.409 4.101 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(C)cs1 ZINC000594919306 1050562486 /nfs/dbraw/zinc/56/24/86/1050562486.db2.gz HVUNIVREZYAHCM-INIZCTEOSA-N 1 0 311.454 4.248 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCc4c3cccc4F)cc2)CC1 ZINC000594917998 1050563161 /nfs/dbraw/zinc/56/31/61/1050563161.db2.gz OBQXKZXBWUYFJW-IBGZPJMESA-N 1 0 306.384 4.158 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CSc4ccccc43)cc2)CC1 ZINC000594923596 1050563336 /nfs/dbraw/zinc/56/33/36/1050563336.db2.gz KWRRDJFZZHNVJT-KRWDZBQOSA-N 1 0 306.434 4.178 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4F)cc2)CC1 ZINC000594917999 1050563624 /nfs/dbraw/zinc/56/36/24/1050563624.db2.gz OBQXKZXBWUYFJW-LJQANCHMSA-N 1 0 306.384 4.158 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCc3cc4ccccc4o3)cc2)CC1 ZINC000594921594 1050563769 /nfs/dbraw/zinc/56/37/69/1050563769.db2.gz MBLZZORIYBIIBN-UHFFFAOYSA-N 1 0 316.404 4.320 20 30 DIEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594921542 1050563936 /nfs/dbraw/zinc/56/39/36/1050563936.db2.gz CKFUFFCRLYKGOC-MGPUTAFESA-N 1 0 302.421 4.265 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594919341 1050564026 /nfs/dbraw/zinc/56/40/26/1050564026.db2.gz XYMAABWWQIFSFV-INIZCTEOSA-N 1 0 320.436 4.491 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1F ZINC000594920669 1050564108 /nfs/dbraw/zinc/56/41/08/1050564108.db2.gz GYHOCPSWSLNCOY-CYBMUJFWSA-N 1 0 312.363 4.371 20 30 DIEDRO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594920954 1050564365 /nfs/dbraw/zinc/56/43/65/1050564365.db2.gz NCHOPWAXQVSUTN-FQEVSTJZSA-N 1 0 302.421 4.327 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001171175107 1050564691 /nfs/dbraw/zinc/56/46/91/1050564691.db2.gz HOBOLAXZZDAONT-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001171175108 1050564776 /nfs/dbraw/zinc/56/47/76/1050564776.db2.gz HOBOLAXZZDAONT-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC001171174823 1050564974 /nfs/dbraw/zinc/56/49/74/1050564974.db2.gz DEHRNGTUNYETAS-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)Cc1cccs1 ZINC000594929832 1050565678 /nfs/dbraw/zinc/56/56/78/1050565678.db2.gz OEJWEWOWFBSBSL-OAHLLOKOSA-N 1 0 310.466 4.272 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC3(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000594926084 1050566578 /nfs/dbraw/zinc/56/65/78/1050566578.db2.gz RJLOERPHUXUAKG-UHFFFAOYSA-N 1 0 320.411 4.202 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cc(Cl)ccc2F)no1 ZINC001211436198 1050566470 /nfs/dbraw/zinc/56/64/70/1050566470.db2.gz FJSSXYOXBROZRU-UHFFFAOYSA-N 1 0 321.783 4.028 20 30 DIEDRO CSc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)s1 ZINC000594970542 1050572600 /nfs/dbraw/zinc/57/26/00/1050572600.db2.gz XDEJMUPVKUTLPR-UHFFFAOYSA-N 1 0 302.468 4.367 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000594969333 1050572628 /nfs/dbraw/zinc/57/26/28/1050572628.db2.gz PJOXIEQURQZFDM-UHFFFAOYSA-N 1 0 316.351 4.185 20 30 DIEDRO COc1ccc2oc(C[NH2+]C(C)(C)c3cccc(C#N)c3)cc2c1 ZINC000594967895 1050573623 /nfs/dbraw/zinc/57/36/23/1050573623.db2.gz IWSZGOZCVCYMNM-UHFFFAOYSA-N 1 0 320.392 4.338 20 30 DIEDRO Cc1c(C)n([C@@H](C)Cc2cccc(C#N)c2)c2ccc(C[NH3+])cc12 ZINC001171178937 1050574136 /nfs/dbraw/zinc/57/41/36/1050574136.db2.gz MBVZRGFHFCSIFP-AWEZNQCLSA-N 1 0 317.436 4.392 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594932749 1050575414 /nfs/dbraw/zinc/57/54/14/1050575414.db2.gz SWCLNZTYWJDECH-IBGZPJMESA-N 1 0 318.420 4.027 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)ccc1Cl ZINC001171181881 1050575542 /nfs/dbraw/zinc/57/55/42/1050575542.db2.gz QLIGJEYKPYYANP-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1c(C)noc1C ZINC000594934741 1050575747 /nfs/dbraw/zinc/57/57/47/1050575747.db2.gz FWRHNAXOIMWOEV-KRWDZBQOSA-N 1 0 309.413 4.088 20 30 DIEDRO COCC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(C)o1 ZINC000594945526 1050577368 /nfs/dbraw/zinc/57/73/68/1050577368.db2.gz ZPJOKTXEYPUPEX-SFHVURJKSA-N 1 0 324.424 4.011 20 30 DIEDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594940230 1050578629 /nfs/dbraw/zinc/57/86/29/1050578629.db2.gz XMNOXMMRCCILAP-ZDUSSCGKSA-N 1 0 310.363 4.452 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594946246 1050579109 /nfs/dbraw/zinc/57/91/09/1050579109.db2.gz NBRSLKDCIBSPKA-KRWDZBQOSA-N 1 0 319.452 4.138 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2cnc(C3CCCC3)s2)cc1 ZINC000594954515 1050580171 /nfs/dbraw/zinc/58/01/71/1050580171.db2.gz HAYFMUFHPYCLKH-UHFFFAOYSA-N 1 0 311.454 4.005 20 30 DIEDRO Cc1ccc2c(CC[NH3+])cn([C@H](C)Cc3cccc(C#N)c3)c2c1 ZINC001171180559 1050580184 /nfs/dbraw/zinc/58/01/84/1050580184.db2.gz BGGBOTZIDWXLSU-MRXNPFEDSA-N 1 0 317.436 4.126 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@]34C[C@@H]3CCC4)c2)c1 ZINC000594953555 1050581674 /nfs/dbraw/zinc/58/16/74/1050581674.db2.gz UWSAQXFRZRUDBD-FPOVZHCZSA-N 1 0 318.420 4.169 20 30 DIEDRO COC=Cc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001171182997 1050582280 /nfs/dbraw/zinc/58/22/80/1050582280.db2.gz ZDLVSQRXXLRUMB-ZHACJKMWSA-N 1 0 318.376 4.200 20 30 DIEDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594963220 1050584159 /nfs/dbraw/zinc/58/41/59/1050584159.db2.gz HWLKTSRABMDLAZ-UHFFFAOYSA-N 1 0 316.489 4.155 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC001171183664 1050584335 /nfs/dbraw/zinc/58/43/35/1050584335.db2.gz ICKOGCVUFZMTHK-QVKFZJNVSA-N 1 0 320.436 4.239 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc2sccc2c1 ZINC001171184484 1050584564 /nfs/dbraw/zinc/58/45/64/1050584564.db2.gz MVJWJMNQVRRNRX-AWEZNQCLSA-N 1 0 306.434 4.494 20 30 DIEDRO [NH2+]=C(Nc1ccc2[nH]ccc2c1)c1ccc2cc(O)ccc2c1 ZINC001171184213 1050584861 /nfs/dbraw/zinc/58/48/61/1050584861.db2.gz DWNMTQBTMLEHMO-UHFFFAOYSA-N 1 0 301.349 4.064 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1O ZINC000787331560 1050584952 /nfs/dbraw/zinc/58/49/52/1050584952.db2.gz KWAXPARGRPIETR-QGZVFWFLSA-N 1 0 312.800 4.003 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001171185706 1050585201 /nfs/dbraw/zinc/58/52/01/1050585201.db2.gz RMEOOFJRTDYNQH-DJJJIMSYSA-N 1 0 310.828 4.420 20 30 DIEDRO C#CC[N@H+](Cc1ccc(Oc2ccccc2)nn1)C1CCCCC1 ZINC000766240011 1050587564 /nfs/dbraw/zinc/58/75/64/1050587564.db2.gz SREPUZLMTAIMDT-UHFFFAOYSA-N 1 0 321.424 4.037 20 30 DIEDRO CC1=C[C@H](C)C[C@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000594979869 1050588206 /nfs/dbraw/zinc/58/82/06/1050588206.db2.gz MPOHBVPBGAZFOL-LPHOPBHVSA-N 1 0 324.468 4.146 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001171189177 1050588487 /nfs/dbraw/zinc/58/84/87/1050588487.db2.gz CCYJKVTXDKOAJS-CWTRNNRKSA-N 1 0 312.363 4.045 20 30 DIEDRO N#CC1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CCCCC1 ZINC000594981215 1050588624 /nfs/dbraw/zinc/58/86/24/1050588624.db2.gz KVEGDOZMLHJMBP-UHFFFAOYSA-N 1 0 305.425 4.312 20 30 DIEDRO N#CC1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CCCCC1 ZINC000594981460 1050588729 /nfs/dbraw/zinc/58/87/29/1050588729.db2.gz QQANXKZWEUERGO-UHFFFAOYSA-N 1 0 313.832 4.452 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001171189453 1050589100 /nfs/dbraw/zinc/58/91/00/1050589100.db2.gz GKZRCPZYZYEXOX-BFUOFWGJSA-N 1 0 310.828 4.420 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001171189456 1050589785 /nfs/dbraw/zinc/58/97/85/1050589785.db2.gz GKZRCPZYZYEXOX-YJYMSZOUSA-N 1 0 310.828 4.420 20 30 DIEDRO CC(C)N(CCC#N)Cc1cc2oc3ccccc3c2cc1O ZINC000739841654 1050591698 /nfs/dbraw/zinc/59/16/98/1050591698.db2.gz MDFHPYSBAYWTPC-UHFFFAOYSA-N 1 0 308.381 4.416 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001171190728 1050592759 /nfs/dbraw/zinc/59/27/59/1050592759.db2.gz XQPGLKOFHJGMHZ-ZNOIYHFQSA-N 1 0 310.828 4.288 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000595059142 1050595019 /nfs/dbraw/zinc/59/50/19/1050595019.db2.gz LSGBRRICALANEL-FUHWJXTLSA-N 1 0 305.487 4.053 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000595060142 1050595518 /nfs/dbraw/zinc/59/55/18/1050595518.db2.gz SELOJAHGZJAWIJ-SFHVURJKSA-N 1 0 316.445 4.209 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC001171190247 1050597493 /nfs/dbraw/zinc/59/74/93/1050597493.db2.gz QPSRXBNRSAHRPS-QWHCGFSZSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC1CCC(F)(F)CC1 ZINC001171192943 1050597818 /nfs/dbraw/zinc/59/78/18/1050597818.db2.gz QUEYFZBNTMKHIC-CQSZACIVSA-N 1 0 306.400 4.294 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc2sccc21 ZINC001171193144 1050600129 /nfs/dbraw/zinc/60/01/29/1050600129.db2.gz SYEXWXPXFAKICK-CQSZACIVSA-N 1 0 306.434 4.494 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCC#N)c1cc(F)cc(Br)c1 ZINC000595032322 1050600298 /nfs/dbraw/zinc/60/02/98/1050600298.db2.gz MOPRBSYJMYOJPS-AWEZNQCLSA-N 1 0 313.214 4.179 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccn1 ZINC000595050657 1050601312 /nfs/dbraw/zinc/60/13/12/1050601312.db2.gz UAJHLIAMWXNTKQ-MGPUTAFESA-N 1 0 305.425 4.114 20 30 DIEDRO COc1cc2ccc([C@H](C)[NH2+]CC3(CC#N)CC3)cc2cc1OC ZINC000595045067 1050602360 /nfs/dbraw/zinc/60/23/60/1050602360.db2.gz BLWXHPWDFSKADJ-AWEZNQCLSA-N 1 0 324.424 4.201 20 30 DIEDRO COc1cc2ccc([C@@H](C)[NH2+][C@@H]3CC[C@H](C#N)C3)cc2cc1OC ZINC000595045256 1050602755 /nfs/dbraw/zinc/60/27/55/1050602755.db2.gz SHSLCCMMNQSXTH-QWQRMKEZSA-N 1 0 324.424 4.200 20 30 DIEDRO COc1cccc(C(C)(C)[NH2+][C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171195939 1050603728 /nfs/dbraw/zinc/60/37/28/1050603728.db2.gz WNRSSAORWXCRDL-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC001171193892 1050603999 /nfs/dbraw/zinc/60/39/99/1050603999.db2.gz DVRGGALAJMNJHG-MRXNPFEDSA-N 1 0 322.452 4.456 20 30 DIEDRO COc1ccccc1C1([NH2+][C@@H](C)Cc2cccc(C#N)c2)CCC1 ZINC001171196348 1050606464 /nfs/dbraw/zinc/60/64/64/1050606464.db2.gz ZLJXQMSMADXTAR-INIZCTEOSA-N 1 0 320.436 4.167 20 30 DIEDRO COc1cccc(CC(C)(C)[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171197510 1050608732 /nfs/dbraw/zinc/60/87/32/1050608732.db2.gz ACQWDWHLVFZKAV-INIZCTEOSA-N 1 0 322.452 4.109 20 30 DIEDRO C[C@]1(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1(F)F ZINC000595079066 1050610111 /nfs/dbraw/zinc/61/01/11/1050610111.db2.gz CVHYJLPSLCARHC-ADKAHSJRSA-N 1 0 318.411 4.416 20 30 DIEDRO C[C@@H]([NH2+]CCc1cn(C)c2ccccc12)c1ccc(C#N)cc1F ZINC000595079335 1050610185 /nfs/dbraw/zinc/61/01/85/1050610185.db2.gz WJAWDWPUJXMHCW-CQSZACIVSA-N 1 0 321.399 4.082 20 30 DIEDRO COCCC[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000595092234 1050611354 /nfs/dbraw/zinc/61/13/54/1050611354.db2.gz ZXYRDRNKBJTQGU-SFHVURJKSA-N 1 0 318.436 4.357 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(C#N)CCCCC3)CC2)C1 ZINC000595092169 1050611532 /nfs/dbraw/zinc/61/15/32/1050611532.db2.gz YHQCQJSINCPHKN-IEBWSBKVSA-N 1 0 317.521 4.093 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000595092247 1050611923 /nfs/dbraw/zinc/61/19/23/1050611923.db2.gz WJRSWNSVRBSMCK-KOLCDFICSA-N 1 0 316.289 4.322 20 30 DIEDRO CC[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(OC)c(OC)c1 ZINC000595096697 1050613721 /nfs/dbraw/zinc/61/37/21/1050613721.db2.gz FJGSVENYGSRDPO-MRXNPFEDSA-N 1 0 316.445 4.219 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1cccc(F)c1)C1CC1 ZINC001171198482 1050613730 /nfs/dbraw/zinc/61/37/30/1050613730.db2.gz MOIOQNUFAVFGDY-VLIAUNLRSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(C)CCC(F)(F)CC1 ZINC001171198322 1050613755 /nfs/dbraw/zinc/61/37/55/1050613755.db2.gz KBCYBAHOLODDJA-CQSZACIVSA-N 1 0 306.400 4.294 20 30 DIEDRO CC[C@@H](CC(F)F)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000595300908 1050618008 /nfs/dbraw/zinc/61/80/08/1050618008.db2.gz BYKUWNQRVZRDQQ-AWEZNQCLSA-N 1 0 322.399 4.083 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(Cc2ccc(F)cc2)CCC1 ZINC001171197871 1050618535 /nfs/dbraw/zinc/61/85/35/1050618535.db2.gz DZHJNEAGTOQLOU-INIZCTEOSA-N 1 0 322.427 4.383 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](c3cccc(OC)c3)C2)cc1 ZINC001144578697 1050618644 /nfs/dbraw/zinc/61/86/44/1050618644.db2.gz JRRCIBCBOARILA-FQEVSTJZSA-N 1 0 305.421 4.056 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C)c2ccccc23)cc1 ZINC001144580770 1050618962 /nfs/dbraw/zinc/61/89/62/1050618962.db2.gz IQSBGKMOVQXRMS-KRWDZBQOSA-N 1 0 317.432 4.250 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC001144576914 1050621523 /nfs/dbraw/zinc/62/15/23/1050621523.db2.gz VQNBTEQBLALXFT-UHFFFAOYSA-N 1 0 303.327 4.319 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(c3ccc(OC)cc3)CC2)cc1 ZINC001144573732 1050622425 /nfs/dbraw/zinc/62/24/25/1050622425.db2.gz PXMXZKBFFOUCGT-UHFFFAOYSA-N 1 0 305.421 4.056 20 30 DIEDRO CC[C@@H](OCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000593019691 1050634762 /nfs/dbraw/zinc/63/47/62/1050634762.db2.gz ISTNDGZIKHHGGD-OXJNMPFZSA-N 1 0 308.425 4.377 20 30 DIEDRO CC1(C)C[N@H+](CCc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000595454446 1050635071 /nfs/dbraw/zinc/63/50/71/1050635071.db2.gz KTXGGWBIPRLMGU-OAHLLOKOSA-N 1 0 310.363 4.011 20 30 DIEDRO CC[C@H](OCC[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000593017883 1050635755 /nfs/dbraw/zinc/63/57/55/1050635755.db2.gz CTHKEPMYCAEVQY-JXFKEZNVSA-N 1 0 308.425 4.377 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001171202404 1050635863 /nfs/dbraw/zinc/63/58/63/1050635863.db2.gz ZAEGVUUIRIYUKF-KZULUSFZSA-N 1 0 312.363 4.045 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCCC(C)C)CC2 ZINC001170080747 1050635904 /nfs/dbraw/zinc/63/59/04/1050635904.db2.gz LURMEAGVVSETJD-ICSRJNTNSA-N 1 0 320.521 4.234 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000845926521 1050635980 /nfs/dbraw/zinc/63/59/80/1050635980.db2.gz RLUZJUSAOWPBBC-INMHGKMJSA-N 1 0 314.429 4.039 20 30 DIEDRO CC[C@H](OCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000593019690 1050636080 /nfs/dbraw/zinc/63/60/80/1050636080.db2.gz ISTNDGZIKHHGGD-JXFKEZNVSA-N 1 0 308.425 4.377 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)CCCC(C)C)C2 ZINC001170080887 1050644426 /nfs/dbraw/zinc/64/44/26/1050644426.db2.gz AOAWTYUBURPAPN-GBESFXJTSA-N 1 0 309.494 4.027 20 30 DIEDRO C[C@@H](C[N@@H+]1CCC[C@H](CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000595622766 1050651365 /nfs/dbraw/zinc/65/13/65/1050651365.db2.gz CNPDAWORSGXIQK-UONOGXRCSA-N 1 0 310.363 4.435 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2s1 ZINC001171209095 1050653166 /nfs/dbraw/zinc/65/31/66/1050653166.db2.gz HYVWVKFBMBPZOD-AWEZNQCLSA-N 1 0 321.449 4.231 20 30 DIEDRO C[C@@H](C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000595622676 1050653346 /nfs/dbraw/zinc/65/33/46/1050653346.db2.gz CNPDAWORSGXIQK-KBPBESRZSA-N 1 0 310.363 4.435 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc([C@@H](C)SCC)no1 ZINC000595602394 1050655290 /nfs/dbraw/zinc/65/52/90/1050655290.db2.gz ISCLOSFRAXFYCI-MCIONIFRSA-N 1 0 309.479 4.108 20 30 DIEDRO C[NH2+]Cc1ccc2c(ccn2[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171208828 1050660691 /nfs/dbraw/zinc/66/06/91/1050660691.db2.gz FNIUWVZPJSQOPJ-HNNXBMFYSA-N 1 0 303.409 4.036 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCC3=CCCCC3)CCOCC2)c1 ZINC000595767394 1050664902 /nfs/dbraw/zinc/66/49/02/1050664902.db2.gz AALMMKIJQKYCCF-UHFFFAOYSA-N 1 0 310.441 4.044 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)cc1F ZINC000595753749 1050667905 /nfs/dbraw/zinc/66/79/05/1050667905.db2.gz UKQHXIQWLJTLLK-GOSISDBHSA-N 1 0 310.372 4.043 20 30 DIEDRO CCC1(CC)CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000595753472 1050668265 /nfs/dbraw/zinc/66/82/65/1050668265.db2.gz VEKLRGDGHZKMMN-UHFFFAOYSA-N 1 0 324.428 4.010 20 30 DIEDRO C[C@]1(C#N)CCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000595841019 1050671453 /nfs/dbraw/zinc/67/14/53/1050671453.db2.gz TZHXHGCMIHATAZ-HXUWFJFHSA-N 1 0 306.409 4.001 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000595877496 1050675866 /nfs/dbraw/zinc/67/58/66/1050675866.db2.gz IBJNFJSWQYKQBW-UHFFFAOYSA-N 1 0 310.441 4.257 20 30 DIEDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCOc1ccccc1C#N ZINC000059931425 1050682712 /nfs/dbraw/zinc/68/27/12/1050682712.db2.gz FTXCBNQZUAIYRY-MRXNPFEDSA-N 1 0 312.438 4.008 20 30 DIEDRO CC[C@H](/[NH+]=C\c1ccc(N(CC)CC)cc1O)c1ccncc1 ZINC000741466522 1050683350 /nfs/dbraw/zinc/68/33/50/1050683350.db2.gz UNIQDVNRBIVMRK-SBGXLDQMSA-N 1 0 311.429 4.204 20 30 DIEDRO C[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc(C#N)cc1F ZINC000846214706 1050694886 /nfs/dbraw/zinc/69/48/86/1050694886.db2.gz MCWHWYCMJYSZBA-PWSUYJOCSA-N 1 0 315.219 4.322 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220546 1050706525 /nfs/dbraw/zinc/70/65/25/1050706525.db2.gz BVKQHYRDUKIALB-IIBYNOLFSA-N 1 0 320.436 4.335 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220741 1050711640 /nfs/dbraw/zinc/71/16/40/1050711640.db2.gz BNZFYXNDSYCCFM-HZPDHXFCSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001171221690 1050713241 /nfs/dbraw/zinc/71/32/41/1050713241.db2.gz SEXLSTWCGRQZNR-YWZLYKJASA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC001171222670 1050713625 /nfs/dbraw/zinc/71/36/25/1050713625.db2.gz INWNWTBJRQTIBD-QGZVFWFLSA-N 1 0 302.421 4.279 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(SC)CC2)cc1 ZINC000788605966 1050713689 /nfs/dbraw/zinc/71/36/89/1050713689.db2.gz OMZGLFWJHRNRET-ZDUSSCGKSA-N 1 0 311.878 4.364 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171221896 1050713966 /nfs/dbraw/zinc/71/39/66/1050713966.db2.gz WTQURAXGIINGMU-UZLBHIALSA-N 1 0 320.436 4.335 20 30 DIEDRO CC(C)c1nc(C[N@H+](C)[C@@H](C)Cc2cccc(C#N)c2)cs1 ZINC001171224099 1050714052 /nfs/dbraw/zinc/71/40/52/1050714052.db2.gz PNEOQUBEZKMFLY-AWEZNQCLSA-N 1 0 313.470 4.201 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001171221687 1050714149 /nfs/dbraw/zinc/71/41/49/1050714149.db2.gz SEXLSTWCGRQZNR-FOIQADDNSA-N 1 0 308.400 4.465 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171223649 1050718400 /nfs/dbraw/zinc/71/84/00/1050718400.db2.gz NNTVGOMRCHWLLQ-KKSFZXQISA-N 1 0 320.436 4.335 20 30 DIEDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171232754 1050728643 /nfs/dbraw/zinc/72/86/43/1050728643.db2.gz WAOCBQQAJXWBPQ-QGZVFWFLSA-N 1 0 321.468 4.077 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000741793859 1050741408 /nfs/dbraw/zinc/74/14/08/1050741408.db2.gz BZCHSADIFURZIQ-KGLIPLIRSA-N 1 0 306.837 4.253 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000593182903 1050741872 /nfs/dbraw/zinc/74/18/72/1050741872.db2.gz IJTBRELVRDYESM-YSSFQJQWSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1c1ccccc1 ZINC000741807986 1050742648 /nfs/dbraw/zinc/74/26/48/1050742648.db2.gz OZKKVQIEAXQXQL-DYESRHJHSA-N 1 0 320.436 4.215 20 30 DIEDRO N#Cc1c(NC[C@H]2CCC[N@H+](CC3CC3)C2)cccc1C(F)F ZINC000596570014 1050746934 /nfs/dbraw/zinc/74/69/34/1050746934.db2.gz GOBBRZCYMAIRGS-CQSZACIVSA-N 1 0 319.399 4.030 20 30 DIEDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(O)c1 ZINC000788816848 1050758046 /nfs/dbraw/zinc/75/80/46/1050758046.db2.gz HTBICUZLWYWWOB-ZDUSSCGKSA-N 1 0 314.816 4.385 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)c(F)c1 ZINC000772956296 1050781018 /nfs/dbraw/zinc/78/10/18/1050781018.db2.gz BHMWLRDAWWMAIX-LBPRGKRZSA-N 1 0 318.779 4.232 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1ccccc1 ZINC000846922374 1050783351 /nfs/dbraw/zinc/78/33/51/1050783351.db2.gz WIBXJILUTWMTGR-MRXNPFEDSA-N 1 0 317.795 4.399 20 30 DIEDRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000772958444 1050790167 /nfs/dbraw/zinc/79/01/67/1050790167.db2.gz GYKHIOROEGTMNM-FOIQADDNSA-N 1 0 306.409 4.236 20 30 DIEDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000772958448 1050791203 /nfs/dbraw/zinc/79/12/03/1050791203.db2.gz GYKHIOROEGTMNM-QRWLVFNGSA-N 1 0 306.409 4.236 20 30 DIEDRO C[C@H]([NH2+][C@H]1CSCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000772958321 1050793902 /nfs/dbraw/zinc/79/39/02/1050793902.db2.gz FCBSMGUVBJSZTL-LIRRHRJNSA-N 1 0 324.449 4.228 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000596982458 1050795259 /nfs/dbraw/zinc/79/52/59/1050795259.db2.gz BRBVRZJGWHDDHC-MRXNPFEDSA-N 1 0 320.436 4.443 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000772958177 1050795858 /nfs/dbraw/zinc/79/58/58/1050795858.db2.gz CPMJSFALNAQBGT-SFHVURJKSA-N 1 0 312.800 4.019 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCCc4sccc4C3)cc2)CC1 ZINC000597013547 1050797420 /nfs/dbraw/zinc/79/74/20/1050797420.db2.gz XDOGFTMCTOSQHN-UHFFFAOYSA-N 1 0 308.450 4.252 20 30 DIEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000772957835 1050798142 /nfs/dbraw/zinc/79/81/42/1050798142.db2.gz BSSRXRTYPVKWAV-YWZLYKJASA-N 1 0 306.409 4.236 20 30 DIEDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597027035 1050798054 /nfs/dbraw/zinc/79/80/54/1050798054.db2.gz LCYSRGZWBIEHQB-ROUUACIJSA-N 1 0 314.498 4.348 20 30 DIEDRO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000772961143 1050808769 /nfs/dbraw/zinc/80/87/69/1050808769.db2.gz YVCIJHUUYUYNEV-RTWAWAEBSA-N 1 0 320.436 4.323 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)CC2 ZINC000772960226 1050809480 /nfs/dbraw/zinc/80/94/80/1050809480.db2.gz QHKSFPBKIMDFNT-MGPUTAFESA-N 1 0 306.409 4.236 20 30 DIEDRO N#CCOc1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000789310607 1050811781 /nfs/dbraw/zinc/81/17/81/1050811781.db2.gz POCZZWMEDFQSCG-UHFFFAOYSA-N 1 0 324.399 4.050 20 30 DIEDRO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2c(C)cc(C)cc2C)n1 ZINC000789326094 1050817085 /nfs/dbraw/zinc/81/70/85/1050817085.db2.gz NFZUPUVVOADKBJ-SFHVURJKSA-N 1 0 309.457 4.025 20 30 DIEDRO CCCCCCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000742366361 1050822454 /nfs/dbraw/zinc/82/24/54/1050822454.db2.gz YYMRQFOHVQMKEP-UHFFFAOYSA-N 1 0 324.266 4.157 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)cc1C#N ZINC000742366872 1050822655 /nfs/dbraw/zinc/82/26/55/1050822655.db2.gz YYDYUYVSDVWGEM-FQEVSTJZSA-N 1 0 306.409 4.116 20 30 DIEDRO CCCc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000742368602 1050822748 /nfs/dbraw/zinc/82/27/48/1050822748.db2.gz JTYDLLOYXBLXKJ-HNNXBMFYSA-N 1 0 308.425 4.370 20 30 DIEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000597210672 1050823473 /nfs/dbraw/zinc/82/34/73/1050823473.db2.gz HLXKHQLSSMKHLK-FXAWDEMLSA-N 1 0 324.468 4.146 20 30 DIEDRO COc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)c2ccccc12 ZINC000742381675 1050824786 /nfs/dbraw/zinc/82/47/86/1050824786.db2.gz CERYFOWXZPMIQT-UHFFFAOYSA-N 1 0 320.367 4.149 20 30 DIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)cc2)CC1 ZINC000597225216 1050829331 /nfs/dbraw/zinc/82/93/31/1050829331.db2.gz PYAWBQVLXKDBIG-ICSRJNTNSA-N 1 0 324.468 4.023 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)cc1C#N ZINC000742374048 1050835727 /nfs/dbraw/zinc/83/57/27/1050835727.db2.gz QBVSWVNZRFZZTJ-OALUTQOASA-N 1 0 324.399 4.132 20 30 DIEDRO C=CCCC1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001147172056 1050862718 /nfs/dbraw/zinc/86/27/18/1050862718.db2.gz GRVAFNUJOVAGDL-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)Cc2cccs2)c1 ZINC000772982834 1050902154 /nfs/dbraw/zinc/90/21/54/1050902154.db2.gz FOZOOHWQAXTBPZ-HOCLYGCPSA-N 1 0 314.454 4.150 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3cc(C)ccc32)c1 ZINC000772986039 1050919863 /nfs/dbraw/zinc/91/98/63/1050919863.db2.gz ZDHVWHWGSHVUHR-NQIIRXRSSA-N 1 0 320.436 4.453 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)C1CCCCC1 ZINC000742696759 1050922192 /nfs/dbraw/zinc/92/21/92/1050922192.db2.gz KOZUUTGFOUDHGM-KRWDZBQOSA-N 1 0 313.489 4.342 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000742717559 1050931181 /nfs/dbraw/zinc/93/11/81/1050931181.db2.gz BGKLNGBVDOMAJG-UHFFFAOYSA-N 1 0 306.453 4.480 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000772990013 1050935430 /nfs/dbraw/zinc/93/54/30/1050935430.db2.gz ZSOPQUZOPMKKSF-QGZVFWFLSA-N 1 0 309.409 4.095 20 30 DIEDRO N#Cc1ccc(F)c(Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC001214598620 1050955280 /nfs/dbraw/zinc/95/52/80/1050955280.db2.gz XTTFYLCIGJUFFY-UHFFFAOYSA-N 1 0 309.388 4.079 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1cccc(C#N)c1 ZINC001171339373 1050977873 /nfs/dbraw/zinc/97/78/73/1050977873.db2.gz FLFNHEXOWPTDNV-SJCJKPOMSA-N 1 0 312.363 4.045 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)cc1 ZINC000790949243 1051007753 /nfs/dbraw/zinc/00/77/53/1051007753.db2.gz LBEQTHWXOWUMTE-UHFFFAOYSA-N 1 0 324.330 4.386 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743264204 1051009992 /nfs/dbraw/zinc/00/99/92/1051009992.db2.gz SOJSOKOIJFFRKQ-HXUWFJFHSA-N 1 0 313.416 4.164 20 30 DIEDRO C=CCCCCC[N@@H+](C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743371594 1051016842 /nfs/dbraw/zinc/01/68/42/1051016842.db2.gz WQLBFZAPXNKOFS-QGZVFWFLSA-N 1 0 320.864 4.249 20 30 DIEDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCOc2ccccc2C#N)C1 ZINC001170147611 1051022523 /nfs/dbraw/zinc/02/25/23/1051022523.db2.gz ABGGWULDPXQWDH-YLJYHZDGSA-N 1 0 320.436 4.410 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000773030186 1051029627 /nfs/dbraw/zinc/02/96/27/1051029627.db2.gz MQBBWGNXUSVZCA-HKUYNNGSSA-N 1 0 312.363 4.262 20 30 DIEDRO C#CCCCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000773034718 1051030217 /nfs/dbraw/zinc/03/02/17/1051030217.db2.gz FUIIBFAQECTENP-FUHWJXTLSA-N 1 0 303.421 4.254 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1cccc(C#N)c1 ZINC000743497405 1051036806 /nfs/dbraw/zinc/03/68/06/1051036806.db2.gz YLQALSPLYZDTFK-AWEZNQCLSA-N 1 0 306.409 4.123 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cccc2c1CC[C@H]2[NH3+] ZINC001171376309 1051043024 /nfs/dbraw/zinc/04/30/24/1051043024.db2.gz SLCFPZWWKSLRNP-RDTXWAMCSA-N 1 0 308.425 4.371 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCCc2cc(OC)ccc21)c1ccccc1 ZINC000773106094 1051063367 /nfs/dbraw/zinc/06/33/67/1051063367.db2.gz JZYVZCFWYABEKX-SFTDATJTSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1N(C)C)c1ccccc1 ZINC000773116494 1051064577 /nfs/dbraw/zinc/06/45/77/1051064577.db2.gz RVNFHKIDEWBGJN-BEFAXECRSA-N 1 0 310.416 4.307 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000773115163 1051065008 /nfs/dbraw/zinc/06/50/08/1051065008.db2.gz MOBGTRBWHGOWNQ-BWAGFHJFSA-N 1 0 318.464 4.176 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000773117790 1051066940 /nfs/dbraw/zinc/06/69/40/1051066940.db2.gz WZJHEFMDMXDXDQ-LAUBAEHRSA-N 1 0 315.420 4.288 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000773133700 1051072907 /nfs/dbraw/zinc/07/29/07/1051072907.db2.gz RTKWTESCTOECEL-KBPBESRZSA-N 1 0 315.363 4.389 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400753347 1051073185 /nfs/dbraw/zinc/07/31/85/1051073185.db2.gz WGCMDQRCOGNUQI-JKSUJKDBSA-N 1 0 324.509 4.356 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\CCCOC2CCCC2)c(O)c1 ZINC000747033381 1051073695 /nfs/dbraw/zinc/07/36/95/1051073695.db2.gz RCUYIDOQJUBIFW-HKWRFOASSA-N 1 0 318.461 4.007 20 30 DIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743854960 1051077353 /nfs/dbraw/zinc/07/73/53/1051077353.db2.gz VMKUAAPLQBUKGH-MGPUTAFESA-N 1 0 324.399 4.311 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000743856468 1051078809 /nfs/dbraw/zinc/07/88/09/1051078809.db2.gz CIGOAZXULGBRJG-HXUWFJFHSA-N 1 0 322.452 4.351 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743842828 1051083355 /nfs/dbraw/zinc/08/33/55/1051083355.db2.gz MEHZAGPOLHUWQR-LJQANCHMSA-N 1 0 315.844 4.104 20 30 DIEDRO C=C(Br)C[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000743868498 1051085781 /nfs/dbraw/zinc/08/57/81/1051085781.db2.gz BEGNVNIAFYHDEK-HNNXBMFYSA-N 1 0 314.242 4.233 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@H](c2ccco2)C1 ZINC000743876396 1051087835 /nfs/dbraw/zinc/08/78/35/1051087835.db2.gz ZNCPVVFKAYXWFD-YJBOKZPZSA-N 1 0 310.397 4.155 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCc2c(F)cccc2C1 ZINC001171420078 1051107807 /nfs/dbraw/zinc/10/78/07/1051107807.db2.gz YFDYCPVXRQKPDZ-SFHVURJKSA-N 1 0 308.400 4.099 20 30 DIEDRO C#CCCCCC(=O)N(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000773333918 1051145948 /nfs/dbraw/zinc/14/59/48/1051145948.db2.gz QOWGXQAYKQBVBE-UHFFFAOYSA-N 1 0 320.521 4.118 20 30 DIEDRO CCC[N@H+](CCCCC1(C#N)CCC1)CCN1CCCCC1 ZINC001170172040 1051149227 /nfs/dbraw/zinc/14/92/27/1051149227.db2.gz FHMFTRKXXLKQNC-UHFFFAOYSA-N 1 0 305.510 4.048 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NC(C)(C)CC(C)=O)cc1 ZINC001171502604 1051156005 /nfs/dbraw/zinc/15/60/05/1051156005.db2.gz LQDMBVDMBOADHX-SFHVURJKSA-N 1 0 300.446 4.179 20 30 DIEDRO N#CCOc1ccccc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001212600259 1051159331 /nfs/dbraw/zinc/15/93/31/1051159331.db2.gz LCOXLCQQGPKXMR-UHFFFAOYSA-N 1 0 321.424 4.318 20 30 DIEDRO C[C@H](Cc1ccccc1Cl)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001170257196 1051163984 /nfs/dbraw/zinc/16/39/84/1051163984.db2.gz VOWHEWORZOPQGC-CYBMUJFWSA-N 1 0 323.827 4.225 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001170275598 1051169274 /nfs/dbraw/zinc/16/92/74/1051169274.db2.gz HNDWODDPNNAVGR-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO C=CCCCCC[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC001171573671 1051171882 /nfs/dbraw/zinc/17/18/82/1051171882.db2.gz SNOLVWXPSKGFMA-UHFFFAOYSA-N 1 0 324.472 4.398 20 30 DIEDRO C=CCCCCCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401771911 1051179405 /nfs/dbraw/zinc/17/94/05/1051179405.db2.gz PBUQUCSVWBWPCP-IRXDYDNUSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCCCCCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401771909 1051179627 /nfs/dbraw/zinc/17/96/27/1051179627.db2.gz PBUQUCSVWBWPCP-IAGOWNOFSA-N 1 0 324.509 4.358 20 30 DIEDRO N#CCCC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171645136 1051181502 /nfs/dbraw/zinc/18/15/02/1051181502.db2.gz DXDLUWDOBZIJBH-UHFFFAOYSA-N 1 0 321.262 4.369 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCc2ccncc2)CC1 ZINC001170358913 1051189934 /nfs/dbraw/zinc/18/99/34/1051189934.db2.gz FCEKGBVGHCHIKW-UHFFFAOYSA-N 1 0 319.452 4.008 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170361755 1051191454 /nfs/dbraw/zinc/19/14/54/1051191454.db2.gz DFONWGMZNWPIPF-LLVHZLCXSA-N 1 0 307.441 4.063 20 30 DIEDRO Cc1cccc(C(=[NH2+])NC2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170368843 1051193027 /nfs/dbraw/zinc/19/30/27/1051193027.db2.gz QRXKJNZLZDFYGV-UHFFFAOYSA-N 1 0 317.436 4.314 20 30 DIEDRO N#CC1(c2ccccc2)CCC(Nc2cccc(CC[NH3+])c2)CC1 ZINC001170371652 1051195614 /nfs/dbraw/zinc/19/56/14/1051195614.db2.gz HURYNDQGGXYCLZ-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO CCCC[N@H+](CCC#N)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170386306 1051195939 /nfs/dbraw/zinc/19/59/39/1051195939.db2.gz DEZSYSZSSCWIBP-UHFFFAOYSA-N 1 0 309.457 4.406 20 30 DIEDRO CC1(C#N)CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170395010 1051196575 /nfs/dbraw/zinc/19/65/75/1051196575.db2.gz FTMWYBKIJCIORI-UHFFFAOYSA-N 1 0 307.441 4.016 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001171707877 1051196835 /nfs/dbraw/zinc/19/68/35/1051196835.db2.gz YKGXKXNCCRTRHJ-LJQANCHMSA-N 1 0 319.876 4.207 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCc3occc3C2)CC1 ZINC001170396059 1051196984 /nfs/dbraw/zinc/19/69/84/1051196984.db2.gz UHCTVNGNFVEHGI-UHFFFAOYSA-N 1 0 306.409 4.042 20 30 DIEDRO C[N@H+](Cc1ccccc1O)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395410 1051197684 /nfs/dbraw/zinc/19/76/84/1051197684.db2.gz JKFXLNDCZYKJEK-UHFFFAOYSA-N 1 0 320.436 4.228 20 30 DIEDRO C#CC(C)(C)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171644787 1051197892 /nfs/dbraw/zinc/19/78/92/1051197892.db2.gz OCYDPIDWGUSSHR-UHFFFAOYSA-N 1 0 320.274 4.477 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH+]2Cc3ccccc3C2)CC1 ZINC001170376271 1051199445 /nfs/dbraw/zinc/19/94/45/1051199445.db2.gz NHOUBZXIQRVGHC-UHFFFAOYSA-N 1 0 302.421 4.406 20 30 DIEDRO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC001171773312 1051210131 /nfs/dbraw/zinc/21/01/31/1051210131.db2.gz VHMBPLYPSUAVGV-INIZCTEOSA-N 1 0 310.466 4.365 20 30 DIEDRO C=C[C@@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1 ZINC001171740688 1051214841 /nfs/dbraw/zinc/21/48/41/1051214841.db2.gz KVOXWLXQFGZZDK-IOMROCGXSA-N 1 0 306.453 4.166 20 30 DIEDRO N#Cc1ccc(C2CC[NH+]([C@@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171809521 1051224756 /nfs/dbraw/zinc/22/47/56/1051224756.db2.gz KFNBZGJUGYSJSC-LJQANCHMSA-N 1 0 320.411 4.044 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC001171809585 1051226150 /nfs/dbraw/zinc/22/61/50/1051226150.db2.gz HOCVTDXXXWUATC-HXUWFJFHSA-N 1 0 302.506 4.206 20 30 DIEDRO C=CCN(Cc1ccc(F)cc1Br)C(C)(C)C ZINC001137550175 1051250495 /nfs/dbraw/zinc/25/04/95/1051250495.db2.gz OTSDPDPMGLKJAA-UHFFFAOYSA-N 1 0 300.215 4.375 20 30 DIEDRO CC[C@H](C)CON=C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000793146993 1051253917 /nfs/dbraw/zinc/25/39/17/1051253917.db2.gz XFLHXYVPVUHJOU-UCFFOFKASA-N 1 0 302.462 4.480 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(S)CC1 ZINC001171969246 1051254270 /nfs/dbraw/zinc/25/42/70/1051254270.db2.gz ABNDRIVMHUTLEO-NSHDSACASA-N 1 0 303.393 4.031 20 30 DIEDRO CC[NH+](CC)Cc1cc(NCC#Cc2ccccc2)ccc1OC ZINC001170429174 1051277511 /nfs/dbraw/zinc/27/75/11/1051277511.db2.gz KBBTZNZIBXQKIT-UHFFFAOYSA-N 1 0 322.452 4.001 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793331279 1051284037 /nfs/dbraw/zinc/28/40/37/1051284037.db2.gz RGRCHQYUORDKHI-HZPDHXFCSA-N 1 0 322.493 4.134 20 30 DIEDRO C=C[C@@H]([NH2+][C@H](CC)Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC001170429849 1051284422 /nfs/dbraw/zinc/28/44/22/1051284422.db2.gz WPRIBLSCSPKIPY-QZTJIDSGSA-N 1 0 309.409 4.253 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@H+](CC2CC2)CC2CCC2)cc1 ZINC000793387981 1051294191 /nfs/dbraw/zinc/29/41/91/1051294191.db2.gz DFTMOOUSKXNOJT-UHFFFAOYSA-N 1 0 311.473 4.049 20 30 DIEDRO N#Cc1cc(N)ccc1Nc1cccc(C[NH+]2CCCCC2)c1F ZINC001215678980 1051295373 /nfs/dbraw/zinc/29/53/73/1051295373.db2.gz YZUWDIXMOHKWMS-UHFFFAOYSA-N 1 0 324.403 4.009 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000793521143 1051306915 /nfs/dbraw/zinc/30/69/15/1051306915.db2.gz BURXDSPXCQEWCE-CVEARBPZSA-N 1 0 304.482 4.180 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000793524748 1051308045 /nfs/dbraw/zinc/30/80/45/1051308045.db2.gz HYCDSCFQRKVHIW-QGZVFWFLSA-N 1 0 308.510 4.138 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000793524747 1051308063 /nfs/dbraw/zinc/30/80/63/1051308063.db2.gz HYCDSCFQRKVHIW-KRWDZBQOSA-N 1 0 308.510 4.138 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000793527052 1051308696 /nfs/dbraw/zinc/30/86/96/1051308696.db2.gz SMQPSSZZFLFTKK-KRWDZBQOSA-N 1 0 301.478 4.296 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)c1ccncc1 ZINC000793538838 1051313483 /nfs/dbraw/zinc/31/34/83/1051313483.db2.gz CVODYUYAJXCMNI-LWILDLIXSA-N 1 0 322.452 4.489 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000793543833 1051315164 /nfs/dbraw/zinc/31/51/64/1051315164.db2.gz WHMDGLGGACNSNE-INIZCTEOSA-N 1 0 303.446 4.347 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000793555727 1051319755 /nfs/dbraw/zinc/31/97/55/1051319755.db2.gz CBPBKSXNWHQWSQ-AEFFLSMTSA-N 1 0 303.494 4.436 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2ccccc2CC#N)c1 ZINC001215727036 1051326802 /nfs/dbraw/zinc/32/68/02/1051326802.db2.gz XWPFRXVKJLGTSF-UHFFFAOYSA-N 1 0 311.404 4.477 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2cc(C#N)ccc2F)c1 ZINC001215726493 1051326815 /nfs/dbraw/zinc/32/68/15/1051326815.db2.gz GRTYMINIVJZFBN-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc(C#N)cc2)c(F)c1F ZINC001172300791 1051331456 /nfs/dbraw/zinc/33/14/56/1051331456.db2.gz ZIHIKTMTEVZPEI-KGLIPLIRSA-N 1 0 314.379 4.427 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1cc(C[NH3+])c2cc(Cl)ccc21 ZINC001172301066 1051331956 /nfs/dbraw/zinc/33/19/56/1051331956.db2.gz KAJWJBXWRJFQQY-ZDUSSCGKSA-N 1 0 323.827 4.429 20 30 DIEDRO CCCOc1cccc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172302125 1051332003 /nfs/dbraw/zinc/33/20/03/1051332003.db2.gz DTBXLOCPTSINDR-MRXNPFEDSA-N 1 0 308.425 4.068 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301137 1051332049 /nfs/dbraw/zinc/33/20/49/1051332049.db2.gz KYEPXAXCUULZOG-JXFKEZNVSA-N 1 0 319.452 4.098 20 30 DIEDRO COc1ccc(C(C)(C)[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172303052 1051333827 /nfs/dbraw/zinc/33/38/27/1051333827.db2.gz URMPISXOPFVEHE-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)cc(Cl)cc1F ZINC001172303381 1051334102 /nfs/dbraw/zinc/33/41/02/1051334102.db2.gz XKNFWGOXRNZCEE-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@@H]([NH3+])c1cn([C@H](C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC001172308440 1051335984 /nfs/dbraw/zinc/33/59/84/1051335984.db2.gz KKMBNZSYZZKGMQ-HUUCEWRRSA-N 1 0 303.409 4.336 20 30 DIEDRO Cc1ccc2cccc(C[NH2+][C@H](C)Cc3ccc(C#N)cc3)c2n1 ZINC001172310016 1051336124 /nfs/dbraw/zinc/33/61/24/1051336124.db2.gz ZKJACGKSUFLMJF-MRXNPFEDSA-N 1 0 315.420 4.136 20 30 DIEDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@H](C)Cc1ccc(C#N)cc1 ZINC001172307469 1051336199 /nfs/dbraw/zinc/33/61/99/1051336199.db2.gz FKHJPUIPYCABCG-CYBMUJFWSA-N 1 0 311.816 4.066 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)n1cc([C@H](C)[NH3+])c2ccccc21 ZINC001172308436 1051336390 /nfs/dbraw/zinc/33/63/90/1051336390.db2.gz KKMBNZSYZZKGMQ-CABCVRRESA-N 1 0 303.409 4.336 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCSc2ccccc2C1 ZINC001172312586 1051337347 /nfs/dbraw/zinc/33/73/47/1051337347.db2.gz HIEODTDBBUYOBJ-HNNXBMFYSA-N 1 0 308.450 4.097 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1F)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311938 1051337647 /nfs/dbraw/zinc/33/76/47/1051337647.db2.gz CNPYRYWNIMZMEB-CQSZACIVSA-N 1 0 314.379 4.290 20 30 DIEDRO C#CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC001172319806 1051340486 /nfs/dbraw/zinc/34/04/86/1051340486.db2.gz RKLHBIDLCVNSCD-VGOFRKELSA-N 1 0 314.432 4.112 20 30 DIEDRO COc1cc(Nc2ccc(C[NH2+]CC(C)C)cc2)ccc1C#N ZINC001215746956 1051340613 /nfs/dbraw/zinc/34/06/13/1051340613.db2.gz WKGUNQPGEYQSLO-UHFFFAOYSA-N 1 0 309.413 4.056 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001172320545 1051342075 /nfs/dbraw/zinc/34/20/75/1051342075.db2.gz VOHIGQQMTOZALF-UZLBHIALSA-N 1 0 322.477 4.279 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001172320544 1051342133 /nfs/dbraw/zinc/34/21/33/1051342133.db2.gz VOHIGQQMTOZALF-OXQOHEQNSA-N 1 0 322.477 4.279 20 30 DIEDRO COc1ccccc1[C@H](C)[N@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172320006 1051342168 /nfs/dbraw/zinc/34/21/68/1051342168.db2.gz SOGXHIAWOJKHFJ-CVEARBPZSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001172290664 1051347149 /nfs/dbraw/zinc/34/71/49/1051347149.db2.gz DUQWFWLKLPIOLP-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO Cc1cc(C)cc(OC[C@@H](C)[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172290900 1051347330 /nfs/dbraw/zinc/34/73/30/1051347330.db2.gz UGMSZBKNKUJWKH-ZWKOTPCHSA-N 1 0 322.452 4.163 20 30 DIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)CC(F)(F)F ZINC000402697814 1051347789 /nfs/dbraw/zinc/34/77/89/1051347789.db2.gz RDNLYEIRGKMICM-CHWSQXEVSA-N 1 0 314.351 4.218 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001172297015 1051350127 /nfs/dbraw/zinc/35/01/27/1051350127.db2.gz MJIPKYXRAMSBOZ-VBKZILBWSA-N 1 0 324.855 4.290 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2ccc(Cl)cc2C1 ZINC001172297083 1051350898 /nfs/dbraw/zinc/35/08/98/1051350898.db2.gz NISPTEQQNWEWQB-VLIAUNLRSA-N 1 0 324.855 4.290 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC001172297126 1051350912 /nfs/dbraw/zinc/35/09/12/1051350912.db2.gz BEMVAWBFCSDFHW-INIZCTEOSA-N 1 0 322.452 4.456 20 30 DIEDRO CC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172298307 1051351129 /nfs/dbraw/zinc/35/11/29/1051351129.db2.gz WGHKFUYHBYMXFR-GJZGRUSLSA-N 1 0 306.409 4.043 20 30 DIEDRO Cc1ccccc1CC(C)(C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172299269 1051351452 /nfs/dbraw/zinc/35/14/52/1051351452.db2.gz IYNPTYAPDUJFRI-QGZVFWFLSA-N 1 0 306.453 4.409 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC001172297158 1051351589 /nfs/dbraw/zinc/35/15/89/1051351589.db2.gz BKONSTGBOVYNBA-OAHLLOKOSA-N 1 0 308.400 4.297 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001172298300 1051351684 /nfs/dbraw/zinc/35/16/84/1051351684.db2.gz VZFJLUPDJZNOEG-CHWSQXEVSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001172297017 1051351775 /nfs/dbraw/zinc/35/17/75/1051351775.db2.gz MJIPKYXRAMSBOZ-XOBRGWDASA-N 1 0 324.855 4.290 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccccc3C#N)CC2)C[C@H]1C ZINC001172380346 1051356955 /nfs/dbraw/zinc/35/69/55/1051356955.db2.gz RVNPPZJPCJEYFZ-JFIYKMOQSA-N 1 0 312.457 4.226 20 30 DIEDRO CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001172341066 1051362826 /nfs/dbraw/zinc/36/28/26/1051362826.db2.gz SIKFGLTWHHKIIM-QZTJIDSGSA-N 1 0 314.473 4.137 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1nc(C(=O)OC)cs1 ZINC001172345796 1051364493 /nfs/dbraw/zinc/36/44/93/1051364493.db2.gz COVMISCPIJIEMJ-ZDUSSCGKSA-N 1 0 312.479 4.158 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1nnc2cc(C)ccn21 ZINC001172346105 1051365311 /nfs/dbraw/zinc/36/53/11/1051365311.db2.gz GBXBGBNCFOWCSA-INIZCTEOSA-N 1 0 302.466 4.266 20 30 DIEDRO CC[C@@H](C)OCC[C@H](C)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001172348288 1051366715 /nfs/dbraw/zinc/36/67/15/1051366715.db2.gz PKUOERAACHHUOT-DLBZAZTESA-N 1 0 314.473 4.331 20 30 DIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172353904 1051370296 /nfs/dbraw/zinc/37/02/96/1051370296.db2.gz BXNXVCIDTFZWCD-MSOLQXFVSA-N 1 0 321.509 4.100 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172357212 1051372194 /nfs/dbraw/zinc/37/21/94/1051372194.db2.gz JHNXUOVAUGATFF-QZTJIDSGSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001172356894 1051372805 /nfs/dbraw/zinc/37/28/05/1051372805.db2.gz ZQHPCPPTYGPNBZ-HKUYNNGSSA-N 1 0 308.510 4.260 20 30 DIEDRO CCCCCCC[C@@H](CC)Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001172356276 1051372828 /nfs/dbraw/zinc/37/28/28/1051372828.db2.gz IAAZUJVHXCQNSU-QZTJIDSGSA-N 1 0 306.494 4.272 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(C[C@@H]2C(=O)N(C)C)CC1 ZINC001172355985 1051372850 /nfs/dbraw/zinc/37/28/50/1051372850.db2.gz TVMAFTLBXKLNFF-ZWKOTPCHSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001172362116 1051373750 /nfs/dbraw/zinc/37/37/50/1051373750.db2.gz SNAONYMLODRANX-SQNIBIBYSA-N 1 0 308.510 4.068 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001172362348 1051374458 /nfs/dbraw/zinc/37/44/58/1051374458.db2.gz WKVNVNLKJXIFGA-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(C#N)(C(=O)OCC)CC1 ZINC001172361900 1051374847 /nfs/dbraw/zinc/37/48/47/1051374847.db2.gz OQKNSFGPPLWGIL-QGZVFWFLSA-N 1 0 322.493 4.294 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001172362318 1051374977 /nfs/dbraw/zinc/37/49/77/1051374977.db2.gz VHJZYSLYSSVRNU-INIZCTEOSA-N 1 0 310.482 4.090 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC001172370034 1051377744 /nfs/dbraw/zinc/37/77/44/1051377744.db2.gz UIHDYCPHMXWUSL-LALPHHSUSA-N 1 0 310.363 4.491 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](CC)CC(C)C)[C@H]2CC ZINC001172399404 1051398155 /nfs/dbraw/zinc/39/81/55/1051398155.db2.gz GZEHBPKKTULLSI-BJLQDIEVSA-N 1 0 320.521 4.233 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](CC)CC(C)C)[C@@H]2CC ZINC001172399407 1051398843 /nfs/dbraw/zinc/39/88/43/1051398843.db2.gz GZEHBPKKTULLSI-NSHGMRRFSA-N 1 0 320.521 4.233 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000766350471 1051399663 /nfs/dbraw/zinc/39/96/63/1051399663.db2.gz LUZJHXQERSKPFO-FOIQADDNSA-N 1 0 307.441 4.426 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]CCCc1ccc(Br)cc1 ZINC001172476099 1051402007 /nfs/dbraw/zinc/40/20/07/1051402007.db2.gz GXRYOCZBERJYCB-CYBMUJFWSA-N 1 0 309.251 4.054 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC001170451788 1051410688 /nfs/dbraw/zinc/41/06/88/1051410688.db2.gz NVOMMNPCVBUXLF-FQEVSTJZSA-N 1 0 311.400 4.296 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC001170451789 1051410750 /nfs/dbraw/zinc/41/07/50/1051410750.db2.gz NVOMMNPCVBUXLF-HXUWFJFHSA-N 1 0 311.400 4.296 20 30 DIEDRO CC(C)COCC[C@H](C)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001172465531 1051414669 /nfs/dbraw/zinc/41/46/69/1051414669.db2.gz WFULFIGQGOGHHM-QFBILLFUSA-N 1 0 302.462 4.296 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC001170452221 1051414803 /nfs/dbraw/zinc/41/48/03/1051414803.db2.gz SSIRAVSFEPCVLU-KRWDZBQOSA-N 1 0 318.873 4.372 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CCOCC(C)C ZINC001172464394 1051415008 /nfs/dbraw/zinc/41/50/08/1051415008.db2.gz KUZDCQLRCWIRJE-SJORKVTESA-N 1 0 305.462 4.353 20 30 DIEDRO C[C@@H](CCCC#N)n1cc(C[NH3+])c2cc(Br)ccc21 ZINC001172488712 1051416124 /nfs/dbraw/zinc/41/61/24/1051416124.db2.gz OCZPIZQZHSCSPI-NSHDSACASA-N 1 0 320.234 4.117 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]C1(Cc2cccnc2)CCC(F)(F)CC1 ZINC001172488192 1051416648 /nfs/dbraw/zinc/41/66/48/1051416648.db2.gz QUXVTSDZKQDNOC-HNNXBMFYSA-N 1 0 321.415 4.244 20 30 DIEDRO COc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CCCC#N)c1OC ZINC001172489431 1051417097 /nfs/dbraw/zinc/41/70/97/1051417097.db2.gz RRKLGLNYGBIOJS-NEPJUHHUSA-N 1 0 310.825 4.090 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](CC1CCOCC1)c1ccc(F)cc1 ZINC001172491469 1051417850 /nfs/dbraw/zinc/41/78/50/1051417850.db2.gz HBLAOYZWFUBUJP-HNAYVOBHSA-N 1 0 318.436 4.355 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC001172492740 1051418060 /nfs/dbraw/zinc/41/80/60/1051418060.db2.gz OFXASPHFBDBPKY-LRDDRELGSA-N 1 0 321.262 4.498 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(c2cccc(Cl)c2)CCOCC1 ZINC001172492989 1051418474 /nfs/dbraw/zinc/41/84/74/1051418474.db2.gz QNCALWDXZLLHHR-CQSZACIVSA-N 1 0 306.837 4.018 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1csc(-c2cccc(F)c2)n1 ZINC001172492744 1051418643 /nfs/dbraw/zinc/41/86/43/1051418643.db2.gz OFZSOUZQBANUGO-LBPRGKRZSA-N 1 0 303.406 4.121 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]Cc1csc(-c2cccc(F)c2)n1 ZINC001172492743 1051418985 /nfs/dbraw/zinc/41/89/85/1051418985.db2.gz OFZSOUZQBANUGO-GFCCVEGCSA-N 1 0 303.406 4.121 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001172501651 1051420471 /nfs/dbraw/zinc/42/04/71/1051420471.db2.gz JCNHHBJHYHBFIO-KRWDZBQOSA-N 1 0 324.509 4.480 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001172501720 1051420552 /nfs/dbraw/zinc/42/05/52/1051420552.db2.gz JXVHERYOXIPVDI-QGZVFWFLSA-N 1 0 322.493 4.294 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172501775 1051420576 /nfs/dbraw/zinc/42/05/76/1051420576.db2.gz JZCPYQZRZYQJBD-GBESFXJTSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001172501653 1051420741 /nfs/dbraw/zinc/42/07/41/1051420741.db2.gz JCNHHBJHYHBFIO-QGZVFWFLSA-N 1 0 324.509 4.480 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1Cc2c(Br)cccc2C[C@@H]1C ZINC001172500832 1051421064 /nfs/dbraw/zinc/42/10/64/1051421064.db2.gz AXDZNRDMQHAPTC-OLZOCXBDSA-N 1 0 321.262 4.278 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1Cc2c(Br)cccc2C[C@H]1C ZINC001172500829 1051421130 /nfs/dbraw/zinc/42/11/30/1051421130.db2.gz AXDZNRDMQHAPTC-CHWSQXEVSA-N 1 0 321.262 4.278 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC001172504282 1051421945 /nfs/dbraw/zinc/42/19/45/1051421945.db2.gz FZGRJDPDJUQDET-AWEZNQCLSA-N 1 0 318.848 4.317 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001172503750 1051422308 /nfs/dbraw/zinc/42/23/08/1051422308.db2.gz AMJZDJZNJHWAEH-ZWKOTPCHSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(c2ncccn2)C1 ZINC001172503068 1051422611 /nfs/dbraw/zinc/42/26/11/1051422611.db2.gz ONIQLSONDIYMAM-QZTJIDSGSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001172504929 1051423144 /nfs/dbraw/zinc/42/31/44/1051423144.db2.gz JAABQRASOLLGFM-MSOLQXFVSA-N 1 0 321.509 4.153 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1cn(CCOC)cn1 ZINC001172502562 1051423205 /nfs/dbraw/zinc/42/32/05/1051423205.db2.gz JRHWGNGNBKAZBJ-KRWDZBQOSA-N 1 0 309.498 4.148 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001172507779 1051424159 /nfs/dbraw/zinc/42/41/59/1051424159.db2.gz BLSIYEAUIYMANP-HOTGVXAUSA-N 1 0 305.453 4.465 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001172505322 1051424085 /nfs/dbraw/zinc/42/40/85/1051424085.db2.gz LVMYFSJWWICPJY-KRWDZBQOSA-N 1 0 308.510 4.118 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1Cc2ccc(Br)cc2C[C@H]1C ZINC001172506377 1051424242 /nfs/dbraw/zinc/42/42/42/1051424242.db2.gz SGPBFLVJDQVVRJ-CHWSQXEVSA-N 1 0 321.262 4.278 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC001172510714 1051426861 /nfs/dbraw/zinc/42/68/61/1051426861.db2.gz IAGSKVVQYJTKGG-UXHICEINSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1cn(CCOC)cn1 ZINC001172508765 1051426974 /nfs/dbraw/zinc/42/69/74/1051426974.db2.gz OBKFILZKLYASSY-QGZVFWFLSA-N 1 0 309.498 4.148 20 30 DIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001172509127 1051426980 /nfs/dbraw/zinc/42/69/80/1051426980.db2.gz SZZKEEOZYUMJHP-MJGOQNOKSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCC[C@H](CCC)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001172510753 1051427060 /nfs/dbraw/zinc/42/70/60/1051427060.db2.gz IONLSIDAHUWCTP-IRXDYDNUSA-N 1 0 318.509 4.489 20 30 DIEDRO C=CCc1cc(C)cnc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170454616 1051428371 /nfs/dbraw/zinc/42/83/71/1051428371.db2.gz ZNGHJSNIGJATKX-UHFFFAOYSA-N 1 0 301.478 4.182 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)cc1C#N ZINC000766485047 1051436041 /nfs/dbraw/zinc/43/60/41/1051436041.db2.gz CQNGWEIMTDCHOW-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO CCCCCCCCCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804523625 1051436779 /nfs/dbraw/zinc/43/67/79/1051436779.db2.gz XDKWXZNQWWEMLP-MSOLQXFVSA-N 1 0 308.510 4.212 20 30 DIEDRO C=CCOCC[NH2+][C@H](CCC)c1cccc(C(F)(F)F)c1 ZINC001168825146 1051446374 /nfs/dbraw/zinc/44/63/74/1051446374.db2.gz FOCMKAXMCSBXQM-OAHLLOKOSA-N 1 0 301.352 4.339 20 30 DIEDRO CC[N@H+](CCC#N)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172575739 1051448434 /nfs/dbraw/zinc/44/84/34/1051448434.db2.gz YEXRYQOKAJPGAN-LLVKDONJSA-N 1 0 300.780 4.175 20 30 DIEDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC1(C#N)CCC1 ZINC001172577551 1051463251 /nfs/dbraw/zinc/46/32/51/1051463251.db2.gz UUULTAVKWFCPGQ-NSHDSACASA-N 1 0 312.791 4.223 20 30 DIEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172622459 1051476539 /nfs/dbraw/zinc/47/65/39/1051476539.db2.gz MACRIZVDWOGUQX-JKSUJKDBSA-N 1 0 310.482 4.110 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)ccc1Cl ZINC001172718023 1051479711 /nfs/dbraw/zinc/47/97/11/1051479711.db2.gz ZMOZIUVWGUCMHW-MRXNPFEDSA-N 1 0 317.219 4.122 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC001169044850 1051493860 /nfs/dbraw/zinc/49/38/60/1051493860.db2.gz NMTUNLYREZBFCF-CQSZACIVSA-N 1 0 315.392 4.110 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172790739 1051508940 /nfs/dbraw/zinc/50/89/40/1051508940.db2.gz DOGDCQKDGWRNKV-OALUTQOASA-N 1 0 315.457 4.187 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001172866081 1051523971 /nfs/dbraw/zinc/52/39/71/1051523971.db2.gz GCMPZXFSLZQQRF-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO CC1(C)C[C@@H](Nc2ncc(C#N)c3ccccc32)C[C@](C)(C[NH3+])C1 ZINC001169138905 1051528298 /nfs/dbraw/zinc/52/82/98/1051528298.db2.gz WFVVWFJZMSEXJI-QRWLVFNGSA-N 1 0 322.456 4.062 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@H](C)Cc2c(F)cccc2Cl)cc1C ZINC001172850029 1051536703 /nfs/dbraw/zinc/53/67/03/1051536703.db2.gz SGLMTNKWVWNUNY-CYBMUJFWSA-N 1 0 318.823 4.432 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H]2C ZINC001169162022 1051539830 /nfs/dbraw/zinc/53/98/30/1051539830.db2.gz AOUBTOCGQPFVQL-JKSUJKDBSA-N 1 0 320.436 4.383 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(C#N)cc1 ZINC001172854851 1051541448 /nfs/dbraw/zinc/54/14/48/1051541448.db2.gz SZOFOXSSUSYMIH-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1csc(C#N)c1 ZINC001172858561 1051544668 /nfs/dbraw/zinc/54/46/68/1051544668.db2.gz NSNLAROWOJEWHJ-JTQLQIEISA-N 1 0 308.809 4.133 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3cc(F)ccc3C#N)cc2)CC1 ZINC001212690694 1051551095 /nfs/dbraw/zinc/55/10/95/1051551095.db2.gz SISKOTYMYNHKEE-UHFFFAOYSA-N 1 0 309.388 4.250 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(SC(C)C)cc2)CC1 ZINC000177909841 1051554912 /nfs/dbraw/zinc/55/49/12/1051554912.db2.gz YHRBQVOGPPMMMI-MRXNPFEDSA-N 1 0 318.530 4.488 20 30 DIEDRO C=CC[NH+]1CCC(N[C@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000177908186 1051555703 /nfs/dbraw/zinc/55/57/03/1051555703.db2.gz YFKSCIRPKJQKQO-SNVBAGLBSA-N 1 0 319.301 4.356 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC#Cc1ccccc1 ZINC001172883793 1051567560 /nfs/dbraw/zinc/56/75/60/1051567560.db2.gz UOPJRHXLGVTVIM-HNNXBMFYSA-N 1 0 315.869 4.462 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3c(F)cccc3C#N)cc2)CC1 ZINC001212689799 1051568178 /nfs/dbraw/zinc/56/81/78/1051568178.db2.gz KFMGPVKNOYIGTE-UHFFFAOYSA-N 1 0 309.388 4.250 20 30 DIEDRO Cc1cccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1C#N ZINC001212690010 1051568264 /nfs/dbraw/zinc/56/82/64/1051568264.db2.gz RGBIYFYXIGXQCC-UHFFFAOYSA-N 1 0 305.425 4.420 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000178540674 1051576117 /nfs/dbraw/zinc/57/61/17/1051576117.db2.gz QSRHKYUPPHMALZ-UHFFFAOYSA-N 1 0 312.457 4.023 20 30 DIEDRO C=CC[N@H+]([C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172911623 1051581401 /nfs/dbraw/zinc/58/14/01/1051581401.db2.gz DBLGTUCHDFTFHC-INIZCTEOSA-N 1 0 302.418 4.129 20 30 DIEDRO CCSCC[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000761526425 1051589762 /nfs/dbraw/zinc/58/97/62/1051589762.db2.gz LONAUOAILXJGEA-UHFFFAOYSA-N 1 0 302.468 4.129 20 30 DIEDRO CC(C)([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(C#N)cc1 ZINC001173039931 1051590015 /nfs/dbraw/zinc/59/00/15/1051590015.db2.gz VBVQCGNIJBEXJL-UHFFFAOYSA-N 1 0 312.457 4.122 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2CCC(Oc3ccccc3)CC2)c1 ZINC001173192626 1051626515 /nfs/dbraw/zinc/62/65/15/1051626515.db2.gz KRQFCSVHIFHLRR-UHFFFAOYSA-N 1 0 306.409 4.038 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(Oc3ccccc3)CC2)cc1 ZINC001173193440 1051627613 /nfs/dbraw/zinc/62/76/13/1051627613.db2.gz PLPIUFVJPYDHNI-UHFFFAOYSA-N 1 0 306.409 4.038 20 30 DIEDRO SCCCCCC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173201660 1051631462 /nfs/dbraw/zinc/63/14/62/1051631462.db2.gz DVDIEQQKNMMLLI-UHFFFAOYSA-N 1 0 307.503 4.456 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2c(C#N)cccc2C(F)(F)F)c1F ZINC001216225762 1051633340 /nfs/dbraw/zinc/63/33/40/1051633340.db2.gz XOCHMGKZEHUSNK-UHFFFAOYSA-N 1 0 323.293 4.179 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1F ZINC000493543909 1051633982 /nfs/dbraw/zinc/63/39/82/1051633982.db2.gz KOVUUDWMJBHEOD-FXAWDEMLSA-N 1 0 308.400 4.198 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)ccc1F ZINC000493573435 1051637203 /nfs/dbraw/zinc/63/72/03/1051637203.db2.gz PBGKLHDZQYJNSI-YLJYHZDGSA-N 1 0 308.400 4.198 20 30 DIEDRO C=CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001173231619 1051641370 /nfs/dbraw/zinc/64/13/70/1051641370.db2.gz NEFLDXCNVLUIGY-HNNXBMFYSA-N 1 0 302.418 4.347 20 30 DIEDRO CCc1ccc(C[C@H](C)[N@@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001173253063 1051654984 /nfs/dbraw/zinc/65/49/84/1051654984.db2.gz PRRVFPHTCMJUKC-INIZCTEOSA-N 1 0 304.437 4.110 20 30 DIEDRO C=CCc1cc(C)cnc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169684151 1051671674 /nfs/dbraw/zinc/67/16/74/1051671674.db2.gz GORGGEHIUYOVLN-SFHVURJKSA-N 1 0 307.441 4.359 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000493962737 1051672920 /nfs/dbraw/zinc/67/29/20/1051672920.db2.gz WBNVXFBHWBGBNN-OXJNMPFZSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccccc2-c2cccnc2)CC1 ZINC001173313960 1051675064 /nfs/dbraw/zinc/67/50/64/1051675064.db2.gz GXPLJDSMUQEFMX-UHFFFAOYSA-N 1 0 322.452 4.352 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc(C)c(C)c(C)c1C#N ZINC001169695576 1051675447 /nfs/dbraw/zinc/67/54/47/1051675447.db2.gz HDLQSMXMCYBTGT-GOSISDBHSA-N 1 0 320.440 4.119 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2c(c1)CC/C2=N/O ZINC001169693068 1051675864 /nfs/dbraw/zinc/67/58/64/1051675864.db2.gz VNHADKWTFIJJTI-HSDQKXRGSA-N 1 0 321.424 4.051 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH+]1CCC(NC(N)=O)CC1 ZINC001173308529 1051681335 /nfs/dbraw/zinc/68/13/35/1051681335.db2.gz ATRJNKQGWZCNSG-KRWDZBQOSA-N 1 0 311.514 4.038 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+][C@@H](CCSC)C(N)=O ZINC001173308779 1051681740 /nfs/dbraw/zinc/68/17/40/1051681740.db2.gz CCRWXBNEOBAOFI-CVEARBPZSA-N 1 0 316.555 4.102 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](C)COc2cc(C)cc(C)c2)CC1 ZINC001173308954 1051682454 /nfs/dbraw/zinc/68/24/54/1051682454.db2.gz QGCUVDLBSSCAEU-VIQWUECVSA-N 1 0 317.473 4.174 20 30 DIEDRO CCCCCCCC[C@@H](CCC)n1cc(C[NH3+])c(C)nc1=N ZINC001173310393 1051683634 /nfs/dbraw/zinc/68/36/34/1051683634.db2.gz UIVIYRZZBULTJG-QGZVFWFLSA-N 1 0 306.498 4.221 20 30 DIEDRO CCCCCCCC[C@H](CCC)[N@H+]1CCc2nncn2CC1 ZINC001173310680 1051683653 /nfs/dbraw/zinc/68/36/53/1051683653.db2.gz XUZYLNNSCJZTTR-KRWDZBQOSA-N 1 0 306.498 4.056 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001173310480 1051684742 /nfs/dbraw/zinc/68/47/42/1051684742.db2.gz WCHMLMJEZYSWFD-GOSISDBHSA-N 1 0 306.494 4.394 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001169865067 1051721932 /nfs/dbraw/zinc/72/19/32/1051721932.db2.gz XKBYAMDSHFSCFT-SWLSCSKDSA-N 1 0 300.229 4.067 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173285583 1051687892 /nfs/dbraw/zinc/68/78/92/1051687892.db2.gz XOAWTMJEMQKWOD-ROUUACIJSA-N 1 0 323.525 4.397 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001173285166 1051688489 /nfs/dbraw/zinc/68/84/89/1051688489.db2.gz OUWIAXCYMFKVTB-QZTJIDSGSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)[O-] ZINC001173285553 1051688943 /nfs/dbraw/zinc/68/89/43/1051688943.db2.gz WMVIQYNEUFAQBE-IRXDYDNUSA-N 1 0 314.514 4.078 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001173322356 1051692338 /nfs/dbraw/zinc/69/23/38/1051692338.db2.gz CHEZQCZCAQVFRR-CTWPCTMYSA-N 1 0 303.421 4.476 20 30 DIEDRO C=CCOC1CCC([N@H+](CC)CCc2ccc(OC)cc2)CC1 ZINC001173322411 1051692847 /nfs/dbraw/zinc/69/28/47/1051692847.db2.gz DPPCVULVPWGDRC-UHFFFAOYSA-N 1 0 317.473 4.073 20 30 DIEDRO N#CCC1CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC001173325003 1051693113 /nfs/dbraw/zinc/69/31/13/1051693113.db2.gz BNKBIKOMDFCGOB-UHFFFAOYSA-N 1 0 321.262 4.054 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001173326432 1051693430 /nfs/dbraw/zinc/69/34/30/1051693430.db2.gz HLSYXWAHYBSUGR-IPJUCJBFSA-N 1 0 303.421 4.129 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001173329220 1051694591 /nfs/dbraw/zinc/69/45/91/1051694591.db2.gz AJOBLNHMTZWAJM-MWHAMWOXSA-N 1 0 303.837 4.248 20 30 DIEDRO C=CCOC1CCC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001173327758 1051695111 /nfs/dbraw/zinc/69/51/11/1051695111.db2.gz RFEPAVZNXYQRID-UHFFFAOYSA-N 1 0 324.468 4.251 20 30 DIEDRO N#CCC1CCC([NH2+]CCOc2cccc3ccccc32)CC1 ZINC001173330016 1051695378 /nfs/dbraw/zinc/69/53/78/1051695378.db2.gz RIYXAJIOJMOGAE-UHFFFAOYSA-N 1 0 308.425 4.281 20 30 DIEDRO Cc1cc(Br)ccc1C[NH2+]C1CCC(CC#N)CC1 ZINC001173328843 1051695482 /nfs/dbraw/zinc/69/54/82/1051695482.db2.gz QGCIXLYUOUQUJI-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(C3CCC(CC#N)CC3)c2c1 ZINC001173328675 1051695653 /nfs/dbraw/zinc/69/56/53/1051695653.db2.gz JIIONIOXMKVTLV-KLHKWILBSA-N 1 0 309.457 4.484 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001173327257 1051695796 /nfs/dbraw/zinc/69/57/96/1051695796.db2.gz KVWPRZLBWXBZQF-LADRWXRNSA-N 1 0 303.421 4.476 20 30 DIEDRO N#CCC1CCC(Nc2ccc(C[NH3+])c(C(F)(F)F)c2)CC1 ZINC001173328939 1051695820 /nfs/dbraw/zinc/69/58/20/1051695820.db2.gz UTASOOBZWKFSLG-UHFFFAOYSA-N 1 0 311.351 4.048 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001173328575 1051695841 /nfs/dbraw/zinc/69/58/41/1051695841.db2.gz FUIYOXCRKGROKY-ZTUNLMCQSA-N 1 0 302.849 4.259 20 30 DIEDRO CC(C)(C)Oc1ccc(C[NH2+]C2CCC(CC#N)CC2)cc1 ZINC001173331271 1051696460 /nfs/dbraw/zinc/69/64/60/1051696460.db2.gz AXDVBMNYNGEVHM-UHFFFAOYSA-N 1 0 300.446 4.426 20 30 DIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1 ZINC000805901445 1051696634 /nfs/dbraw/zinc/69/66/34/1051696634.db2.gz LHVUZUZXJXWPKE-HNNXBMFYSA-N 1 0 316.445 4.014 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001173333082 1051696615 /nfs/dbraw/zinc/69/66/15/1051696615.db2.gz XKBQWDIQMWPDBF-OOKWDQIISA-N 1 0 304.384 4.404 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001173334816 1051697263 /nfs/dbraw/zinc/69/72/63/1051697263.db2.gz YEAQFRCTZIJUGU-UHFFFAOYSA-N 1 0 321.346 4.139 20 30 DIEDRO N#CCC1CCC([NH+]2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173335988 1051697288 /nfs/dbraw/zinc/69/72/88/1051697288.db2.gz JFKCVPRGQCPUHX-UHFFFAOYSA-N 1 0 308.469 4.439 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001173331918 1051697328 /nfs/dbraw/zinc/69/73/28/1051697328.db2.gz FUABPLTYMGQGMV-UHFFFAOYSA-N 1 0 313.376 4.043 20 30 DIEDRO N#CCC1CCC(n2c3ccccc3nc2C2CC[NH2+]CC2)CC1 ZINC001173331546 1051697366 /nfs/dbraw/zinc/69/73/66/1051697366.db2.gz PQZKIKRBMOFVDR-UHFFFAOYSA-N 1 0 322.456 4.148 20 30 DIEDRO N#CCC1CCC(n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)CC1 ZINC001173337716 1051699334 /nfs/dbraw/zinc/69/93/34/1051699334.db2.gz SBMJLRVEEJXVQP-HTWSVDAQSA-N 1 0 322.456 4.496 20 30 DIEDRO CNc1cc(Nc2ccccc2-c2ccc(C#N)cc2)cc[nH+]1 ZINC001216337580 1051707188 /nfs/dbraw/zinc/70/71/88/1051707188.db2.gz SHHCCIXJBUCPKN-UHFFFAOYSA-N 1 0 300.365 4.406 20 30 DIEDRO C=CC[N@@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C(C)C ZINC000766856229 1051710112 /nfs/dbraw/zinc/71/01/12/1051710112.db2.gz QPMNLMSTGXUPSX-UHFFFAOYSA-N 1 0 302.462 4.227 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001173318080 1051710536 /nfs/dbraw/zinc/71/05/36/1051710536.db2.gz PKKVIMISGGIXRL-XBMUEBEBSA-N 1 0 319.876 4.301 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC001173316713 1051710707 /nfs/dbraw/zinc/71/07/07/1051710707.db2.gz BZWLQOHFHTUURP-TVPLGVNVSA-N 1 0 302.462 4.272 20 30 DIEDRO C=CCOC1CCC([NH2+]CC2(C)CCC(F)(F)CC2)CC1 ZINC001173318559 1051710859 /nfs/dbraw/zinc/71/08/59/1051710859.db2.gz CHYKGASXPMXBBH-UHFFFAOYSA-N 1 0 301.421 4.305 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001173318323 1051711022 /nfs/dbraw/zinc/71/10/22/1051711022.db2.gz ZIMZNUIAJMVJJF-VMBOVVBDSA-N 1 0 320.864 4.290 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C1CCC(OCC=C)CC1 ZINC001173318027 1051711164 /nfs/dbraw/zinc/71/11/64/1051711164.db2.gz NRZUAYTWYSKSRT-WWDZGPRUSA-N 1 0 315.457 4.416 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC001173318483 1051711299 /nfs/dbraw/zinc/71/12/99/1051711299.db2.gz WQLDLXSFZLFBMZ-CTWPCTMYSA-N 1 0 303.421 4.380 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@@H](O)CCc2ccccc2)CCCC1(C)C ZINC001169843500 1051711469 /nfs/dbraw/zinc/71/14/69/1051711469.db2.gz FKETYCBAIJXPSD-OALUTQOASA-N 1 0 301.474 4.047 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2cccc(OCCC)c2)CC1 ZINC001173315939 1051711555 /nfs/dbraw/zinc/71/15/55/1051711555.db2.gz TZMOZECJCSAMJV-UHFFFAOYSA-N 1 0 303.446 4.079 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843664 1051712245 /nfs/dbraw/zinc/71/22/45/1051712245.db2.gz HFHUVXRNBIQWQG-CVEARBPZSA-N 1 0 309.400 4.065 20 30 DIEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC001169853656 1051713484 /nfs/dbraw/zinc/71/34/84/1051713484.db2.gz GOUMYNMABSSAAJ-HNAYVOBHSA-N 1 0 308.400 4.384 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H](C)CCCCC(=O)OC ZINC001173455614 1051729640 /nfs/dbraw/zinc/72/96/40/1051729640.db2.gz RGOYIJGKTBPQSO-QGZVFWFLSA-N 1 0 303.446 4.187 20 30 DIEDRO C#CCC[NH2+][C@](C)(CCCC)c1cccc(Br)c1 ZINC001169933557 1051730733 /nfs/dbraw/zinc/73/07/33/1051730733.db2.gz PPCVPFJWWSIYKT-MRXNPFEDSA-N 1 0 308.263 4.467 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1 ZINC001169952283 1051733275 /nfs/dbraw/zinc/73/32/75/1051733275.db2.gz CTIQKXCKHSUMOC-UHFFFAOYSA-N 1 0 309.409 4.052 20 30 DIEDRO C#CCCC[N@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000766896336 1051737884 /nfs/dbraw/zinc/73/78/84/1051737884.db2.gz RHJOCDUHDPDWCJ-UHFFFAOYSA-N 1 0 310.441 4.400 20 30 DIEDRO C#CCCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000766914043 1051741693 /nfs/dbraw/zinc/74/16/93/1051741693.db2.gz UAWRNMYQRUVWHP-UHFFFAOYSA-N 1 0 306.384 4.113 20 30 DIEDRO CCCCCCC[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000740875472 1051745478 /nfs/dbraw/zinc/74/54/78/1051745478.db2.gz CDMIBTPYEBHZEX-UHFFFAOYSA-N 1 0 322.518 4.221 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001173586734 1051753827 /nfs/dbraw/zinc/75/38/27/1051753827.db2.gz YWRPKROCNAYXEU-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO CC1(C#N)CCC(N(CC[NH3+])c2cccc3ccccc32)CC1 ZINC001173589578 1051755015 /nfs/dbraw/zinc/75/50/15/1051755015.db2.gz HCJRVQFSMRXSNJ-UHFFFAOYSA-N 1 0 307.441 4.077 20 30 DIEDRO CC1(C#N)CCC(Nc2ccc(C[NH3+])c(C(F)(F)F)c2)CC1 ZINC001173590260 1051755198 /nfs/dbraw/zinc/75/51/98/1051755198.db2.gz BMSXWHIOARKMKC-UHFFFAOYSA-N 1 0 311.351 4.048 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001173590873 1051755528 /nfs/dbraw/zinc/75/55/28/1051755528.db2.gz DSSPWCCDXUMQBY-BLDCVEFLSA-N 1 0 303.837 4.248 20 30 DIEDRO CC1(C#N)CCC(n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001173590867 1051755627 /nfs/dbraw/zinc/75/56/27/1051755627.db2.gz PGZIMQVKMQHRNP-BQTBQCLESA-N 1 0 307.441 4.102 20 30 DIEDRO CC1(C#N)CCC(n2c3ccccc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001173590869 1051756334 /nfs/dbraw/zinc/75/63/34/1051756334.db2.gz PGZIMQVKMQHRNP-ZUIJCZDSSA-N 1 0 307.441 4.102 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001173592943 1051756857 /nfs/dbraw/zinc/75/68/57/1051756857.db2.gz FNBXXGJSOBEEJZ-UHFFFAOYSA-N 1 0 321.346 4.139 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001173599021 1051757725 /nfs/dbraw/zinc/75/77/25/1051757725.db2.gz YFSGTUVVNJFKNI-IOJLRTSASA-N 1 0 312.457 4.140 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001173599900 1051758299 /nfs/dbraw/zinc/75/82/99/1051758299.db2.gz SCBJMKMYXHOHNV-NXYGQSRBSA-N 1 0 315.486 4.111 20 30 DIEDRO COc1ccccc1C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173599701 1051758596 /nfs/dbraw/zinc/75/85/96/1051758596.db2.gz OOFONUCQQUGJDV-UHFFFAOYSA-N 1 0 312.457 4.347 20 30 DIEDRO COc1ccc(C2=CC[N@@H+](C3CCC(C)(C#N)CC3)CC2)cc1 ZINC001173600841 1051758620 /nfs/dbraw/zinc/75/86/20/1051758620.db2.gz KHKHHCPYEWXTKM-UHFFFAOYSA-N 1 0 310.441 4.257 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001173593991 1051758730 /nfs/dbraw/zinc/75/87/30/1051758730.db2.gz ZLKQZKCVJYULRE-ARWYELJZSA-N 1 0 303.837 4.248 20 30 DIEDRO COc1cccc(C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173601553 1051760488 /nfs/dbraw/zinc/76/04/88/1051760488.db2.gz VQOJLWRBWSNLCU-UHFFFAOYSA-N 1 0 312.457 4.347 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001173601694 1051760539 /nfs/dbraw/zinc/76/05/39/1051760539.db2.gz ZHMVQFZKOZXFFL-NXYGQSRBSA-N 1 0 318.461 4.465 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2CCC3(CCc4ccccc43)CC2)c1 ZINC001173684759 1051770552 /nfs/dbraw/zinc/77/05/52/1051770552.db2.gz SAJBALDBOJOHCJ-UHFFFAOYSA-N 1 0 316.448 4.475 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2c(C)oc3ccccc32)cc1 ZINC000767195510 1051773729 /nfs/dbraw/zinc/77/37/29/1051773729.db2.gz ZXDLVZPNJCFAOQ-UHFFFAOYSA-N 1 0 305.377 4.043 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173687615 1051778913 /nfs/dbraw/zinc/77/89/13/1051778913.db2.gz PFGKPGGMSFBXSG-HPLQYXLRSA-N 1 0 308.469 4.485 20 30 DIEDRO C=CCC[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173709072 1051785437 /nfs/dbraw/zinc/78/54/37/1051785437.db2.gz VEKJZPVKIPYPMJ-FQEVSTJZSA-N 1 0 307.437 4.289 20 30 DIEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000186363234 1051809305 /nfs/dbraw/zinc/80/93/05/1051809305.db2.gz MXYLODINRRUIKF-MOPGFXCFSA-N 1 0 314.473 4.171 20 30 DIEDRO Cc1sc(Nc2c[nH+]cn2Cc2ccccc2)c(C#N)c1C ZINC001216550452 1051813582 /nfs/dbraw/zinc/81/35/82/1051813582.db2.gz XZTRULBQLNBCEK-UHFFFAOYSA-N 1 0 308.410 4.225 20 30 DIEDRO N#Cc1cccc(Cl)c1Nc1c[nH+]cn1Cc1ccccc1 ZINC001216553834 1051815305 /nfs/dbraw/zinc/81/53/05/1051815305.db2.gz OYPVBOJLCUNZIL-UHFFFAOYSA-N 1 0 308.772 4.200 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc(F)c(F)c1 ZINC000187368464 1051843361 /nfs/dbraw/zinc/84/33/61/1051843361.db2.gz LAZYCOKZUKKVQK-SFHVURJKSA-N 1 0 313.351 4.248 20 30 DIEDRO C#CCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000767885325 1051858138 /nfs/dbraw/zinc/85/81/38/1051858138.db2.gz YZCBEBXEKWJHPO-UHFFFAOYSA-N 1 0 312.457 4.051 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)O[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768010167 1051872996 /nfs/dbraw/zinc/87/29/96/1051872996.db2.gz KZNYLDPFUYABQE-JENIJYKNSA-N 1 0 315.457 4.043 20 30 DIEDRO CC(C)C[N@H+](CCCCCn1cccn1)Cc1ccc(C#N)cc1 ZINC000609194128 1051881593 /nfs/dbraw/zinc/88/15/93/1051881593.db2.gz QFKDEAFDVAPIEQ-UHFFFAOYSA-N 1 0 324.472 4.083 20 30 DIEDRO CCCC[C@H](C)[N@H+](CCCC)C[C@H](O)c1ccc(C#N)cc1 ZINC001170520619 1051886442 /nfs/dbraw/zinc/88/64/42/1051886442.db2.gz YGBRTDWPGBYLHS-LPHOPBHVSA-N 1 0 302.462 4.272 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000768194118 1051901581 /nfs/dbraw/zinc/90/15/81/1051901581.db2.gz ZZTNBFMPGLAJRN-IERDGZPVSA-N 1 0 320.436 4.487 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(Cl)c(F)c1C#N ZINC001173931090 1051902006 /nfs/dbraw/zinc/90/20/06/1051902006.db2.gz UTXUFKXBQUHQSD-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000768223110 1051902885 /nfs/dbraw/zinc/90/28/85/1051902885.db2.gz BLEZDMUTSCFIPP-NRFANRHFSA-N 1 0 319.452 4.374 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)Cc2ccccc21 ZINC000768197389 1051904069 /nfs/dbraw/zinc/90/40/69/1051904069.db2.gz VKLGBCXUYKEWIR-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(C(F)(F)F)cc1C#N ZINC001173932721 1051904867 /nfs/dbraw/zinc/90/48/67/1051904867.db2.gz WTVWLCSIZARJKX-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494497642 1051905556 /nfs/dbraw/zinc/90/55/56/1051905556.db2.gz RZDHCCSMSAWDJV-GHMZBOCLSA-N 1 0 316.323 4.304 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1c(F)cc(C#N)cc1Cl ZINC001173932010 1051905703 /nfs/dbraw/zinc/90/57/03/1051905703.db2.gz MPYPXYRJCZCIIF-UHFFFAOYSA-N 1 0 303.768 4.156 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@H+](C)CCCc2ccccc2)cc1 ZINC000768336731 1051919159 /nfs/dbraw/zinc/91/91/59/1051919159.db2.gz KPWOAICMFSEXHM-UHFFFAOYSA-N 1 0 321.468 4.101 20 30 DIEDRO CS[C@H]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000768400886 1051925138 /nfs/dbraw/zinc/92/51/38/1051925138.db2.gz AUWHHLFHRPBVEL-YBXZHIRMSA-N 1 0 314.498 4.264 20 30 DIEDRO CC(C)(C)C[N@H+](CCC#N)Cc1cc2c(cc1O)CCCC2 ZINC000768447716 1051930851 /nfs/dbraw/zinc/93/08/51/1051930851.db2.gz BBSFMZWKSDWZBU-UHFFFAOYSA-N 1 0 300.446 4.033 20 30 DIEDRO CCOc1ccc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c(O)c1 ZINC000768513896 1051935335 /nfs/dbraw/zinc/93/53/35/1051935335.db2.gz REKHOHLNQFAWEK-HNNXBMFYSA-N 1 0 324.424 4.246 20 30 DIEDRO CC[N@H+](Cc1cnc(Cl)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000768513575 1051936120 /nfs/dbraw/zinc/93/61/20/1051936120.db2.gz BCTJIHIWVCUQCH-AWEZNQCLSA-N 1 0 313.832 4.498 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CC(C)(C)CC(C)(C)C2)cc1 ZINC000768532021 1051940647 /nfs/dbraw/zinc/94/06/47/1051940647.db2.gz KBRFGUYYJBNYCN-OAHLLOKOSA-N 1 0 300.446 4.236 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)c1 ZINC000768598101 1051947574 /nfs/dbraw/zinc/94/75/74/1051947574.db2.gz OIJVAAPLXUVECT-XYJFISCASA-N 1 0 300.446 4.283 20 30 DIEDRO Cn1cc(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000190907106 1051954750 /nfs/dbraw/zinc/95/47/50/1051954750.db2.gz IGANMSNARNBPTH-UHFFFAOYSA-N 1 0 322.239 4.228 20 30 DIEDRO C=CCCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC001170538959 1051958780 /nfs/dbraw/zinc/95/87/80/1051958780.db2.gz RHAGZKFNORSXPZ-BBRMVZONSA-N 1 0 313.363 4.433 20 30 DIEDRO N#CCC[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000494603700 1051980227 /nfs/dbraw/zinc/98/02/27/1051980227.db2.gz NIOXTQOQYMBUOW-RTBURBONSA-N 1 0 306.409 4.015 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cc(C#N)n(C)c2)ccc1-c1ccccc1 ZINC000191618206 1051980743 /nfs/dbraw/zinc/98/07/43/1051980743.db2.gz YXCGUFNSQSUPME-UHFFFAOYSA-N 1 0 315.420 4.162 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000769106651 1051996294 /nfs/dbraw/zinc/99/62/94/1051996294.db2.gz VTVMJKDYVRULHW-YWZLYKJASA-N 1 0 322.408 4.020 20 30 DIEDRO Fc1ccccc1[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001170548029 1051999140 /nfs/dbraw/zinc/99/91/40/1051999140.db2.gz FZCDASARTLMZEK-INIZCTEOSA-N 1 0 313.803 4.320 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000769192713 1052000400 /nfs/dbraw/zinc/00/04/00/1052000400.db2.gz WRBYOHKAOARFGP-UHFFFAOYSA-N 1 0 324.399 4.140 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)CCC2CCCCC2)cc1 ZINC000769240999 1052012049 /nfs/dbraw/zinc/01/20/49/1052012049.db2.gz ILWSSYYZWOPHHW-MRXNPFEDSA-N 1 0 300.446 4.380 20 30 DIEDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000808429244 1052018104 /nfs/dbraw/zinc/01/81/04/1052018104.db2.gz GGKHRTRMKUYIDS-UHFFFAOYSA-N 1 0 309.251 4.177 20 30 DIEDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769353287 1052031768 /nfs/dbraw/zinc/03/17/68/1052031768.db2.gz VKADBBVZMREYGL-QGZVFWFLSA-N 1 0 319.452 4.156 20 30 DIEDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769488507 1052053224 /nfs/dbraw/zinc/05/32/24/1052053224.db2.gz QWEAEEQCMRHPPV-YLJYHZDGSA-N 1 0 322.452 4.431 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)cc1 ZINC000769503372 1052067778 /nfs/dbraw/zinc/06/77/78/1052067778.db2.gz IWOXUBYHCSQEHJ-UTKZUKDTSA-N 1 0 320.436 4.141 20 30 DIEDRO CC(C)C[C@@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769505713 1052069436 /nfs/dbraw/zinc/06/94/36/1052069436.db2.gz LVEFVJWQDZLQEH-AEFFLSMTSA-N 1 0 300.446 4.236 20 30 DIEDRO N#Cc1cc(Nc2c[nH+]ccc2N2CCCCC2)ccc1Cl ZINC001174402312 1052124741 /nfs/dbraw/zinc/12/47/41/1052124741.db2.gz FMAWFQHPHHHAAO-UHFFFAOYSA-N 1 0 312.804 4.341 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC[C@H](C#N)C2)c(C)n1-c1cccc(C)c1 ZINC000769946501 1052128244 /nfs/dbraw/zinc/12/82/44/1052128244.db2.gz YRJOEIUZFDKZFS-HKUYNNGSSA-N 1 0 307.441 4.184 20 30 DIEDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000769952206 1052128441 /nfs/dbraw/zinc/12/84/41/1052128441.db2.gz DLDLHWGABLDLKF-CABCVRRESA-N 1 0 324.399 4.236 20 30 DIEDRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC000769975145 1052133584 /nfs/dbraw/zinc/13/35/84/1052133584.db2.gz ZYFMROQIEDQBOG-LJQANCHMSA-N 1 0 308.400 4.481 20 30 DIEDRO C[C@@H]1C[NH2+]CCC[C@H]1OCc1ccc(-c2ccccc2C#N)cc1 ZINC001217772130 1052139649 /nfs/dbraw/zinc/13/96/49/1052139649.db2.gz ABHDTJCXNYHQJD-IIBYNOLFSA-N 1 0 320.436 4.130 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000770006596 1052140374 /nfs/dbraw/zinc/14/03/74/1052140374.db2.gz YNDIRZLFIIXILK-BREBYQMCSA-N 1 0 311.212 4.099 20 30 DIEDRO CC1(CO[C@@H](C#C[Si](C)(C)C)c2ccccc2)CC[NH2+]CC1 ZINC001217832810 1052151390 /nfs/dbraw/zinc/15/13/90/1052151390.db2.gz KLKVFZMDVUZJEP-SFHVURJKSA-N 1 0 315.533 4.015 20 30 DIEDRO N#C[C@@H](OC[C@H]1CCC[NH2+]C1)c1cccc(Oc2ccccc2)c1 ZINC001217870577 1052159469 /nfs/dbraw/zinc/15/94/69/1052159469.db2.gz NSLAMKQFGIYNCM-OXJNMPFZSA-N 1 0 322.408 4.060 20 30 DIEDRO CC(C)[C@H]([NH3+])CO[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC001217871315 1052159507 /nfs/dbraw/zinc/15/95/07/1052159507.db2.gz ZNSZCHFFHDJWAY-RTBURBONSA-N 1 0 310.397 4.043 20 30 DIEDRO CC(C)(C[NH3+])CO[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC001217871096 1052160010 /nfs/dbraw/zinc/16/00/10/1052160010.db2.gz UXAGHMWAEWBFHC-GOSISDBHSA-N 1 0 310.397 4.045 20 30 DIEDRO C=CC[C@H](OCC[C@H]([NH3+])c1ccc(OC)cc1)c1ccccc1 ZINC001217877176 1052161215 /nfs/dbraw/zinc/16/12/15/1052161215.db2.gz YZJFPNMUFHRAFN-PMACEKPBSA-N 1 0 311.425 4.419 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)OCCC[C@H]1CCC[NH2+]C1 ZINC001217889566 1052164429 /nfs/dbraw/zinc/16/44/29/1052164429.db2.gz PBPSIKCNFAMTGD-DLBZAZTESA-N 1 0 303.446 4.109 20 30 DIEDRO C=CCCCCCC[C@@H](C)OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217895287 1052165463 /nfs/dbraw/zinc/16/54/63/1052165463.db2.gz OKHBCPOAQSCCNH-RTBURBONSA-N 1 0 323.521 4.467 20 30 DIEDRO CCCCCCC[C@H](CCC)OC[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001217897943 1052167164 /nfs/dbraw/zinc/16/71/64/1052167164.db2.gz SXKCANIIWUYFRE-OKYOBFRVSA-N 1 0 311.510 4.299 20 30 DIEDRO CCCCCCCC[C@H](CC)OC[C@@H]1C[C@@H]2C[NH2+]CC[C@@H]2O1 ZINC001217897731 1052167509 /nfs/dbraw/zinc/16/75/09/1052167509.db2.gz RIGFRJZDAKGZOC-XWSJACJDSA-N 1 0 311.510 4.299 20 30 DIEDRO C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCC[C@@H]([NH3+])c1ccc(OC)cc1 ZINC001217896566 1052167793 /nfs/dbraw/zinc/16/77/93/1052167793.db2.gz JMHLKTZVQFYIBQ-QLIIJSOBSA-N 1 0 317.473 4.483 20 30 DIEDRO C(#C[C@@H](OCC[C@@H]1CCC[NH2+]C1)c1ccccc1)c1ccccc1 ZINC001217929864 1052172468 /nfs/dbraw/zinc/17/24/68/1052172468.db2.gz ZCTCNMVVMRQCTQ-RBBKRZOGSA-N 1 0 319.448 4.186 20 30 DIEDRO N#Cc1ccc(CO[C@H]2C[NH2+]Cc3ccccc32)c2ccccc12 ZINC001217941826 1052175218 /nfs/dbraw/zinc/17/52/18/1052175218.db2.gz UABDIMCZJDXONN-NRFANRHFSA-N 1 0 314.388 4.073 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(C)ccc12 ZINC000914576572 1052175846 /nfs/dbraw/zinc/17/58/46/1052175846.db2.gz TZRJMTHQCBWQNL-UHFFFAOYSA-N 1 0 319.404 4.290 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@H]2CCCC[NH2+]C2)cc1 ZINC001217971130 1052178452 /nfs/dbraw/zinc/17/84/52/1052178452.db2.gz RYBIUULJBVICRF-SFHVURJKSA-N 1 0 312.388 4.097 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2CCC[NH2+]CC2)cc1 ZINC001217994852 1052182830 /nfs/dbraw/zinc/18/28/30/1052182830.db2.gz CKSKRBCERUPCCM-GOSISDBHSA-N 1 0 312.388 4.097 20 30 DIEDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001217991734 1052183068 /nfs/dbraw/zinc/18/30/68/1052183068.db2.gz XNFLWEXQALOXAB-QFBILLFUSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001218026043 1052187064 /nfs/dbraw/zinc/18/70/64/1052187064.db2.gz WZLLWIWNKMEVIU-APWZRJJASA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@@H]1C[C@@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)CC[NH2+]1 ZINC001218052761 1052189979 /nfs/dbraw/zinc/18/99/79/1052189979.db2.gz CSGLCIXHXRSTLK-DUSJZKHYSA-N 1 0 321.420 4.102 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@@H]2CC[NH2+]C[C@H]2F)cc1 ZINC001218066523 1052192472 /nfs/dbraw/zinc/19/24/72/1052192472.db2.gz LTFUDMVEXUTMGI-IEBWSBKVSA-N 1 0 321.436 4.309 20 30 DIEDRO N#Cc1ccc(-c2cccc(O[C@H]3CCC34CC[NH2+]CC4)c2)cc1 ZINC001218080535 1052193941 /nfs/dbraw/zinc/19/39/41/1052193941.db2.gz MRHKYPHNDOYNDM-FQEVSTJZSA-N 1 0 318.420 4.136 20 30 DIEDRO N#Cc1cccc(-c2ccc(O[C@H]3CCC34CC[NH2+]CC4)cc2)c1 ZINC001218081478 1052194068 /nfs/dbraw/zinc/19/40/68/1052194068.db2.gz PSSMEIDPBDUFLA-FQEVSTJZSA-N 1 0 318.420 4.136 20 30 DIEDRO N#Cc1ccc(-c2ccc(O[C@@H]3CCC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001218092204 1052195363 /nfs/dbraw/zinc/19/53/63/1052195363.db2.gz GYJSLMSXMAWMNS-NHCUHLMSSA-N 1 0 318.420 4.136 20 30 DIEDRO C(=N/c1ccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)cc1)\c1ccccc1 ZINC001218096774 1052196129 /nfs/dbraw/zinc/19/61/29/1052196129.db2.gz SOOZPEXHZDRNDD-MCGPVJOFSA-N 1 0 320.436 4.348 20 30 DIEDRO C(=N/c1ccc(OC2CC3(C2)CC[NH2+]CC3)cc1)\c1ccccc1 ZINC001218105659 1052197688 /nfs/dbraw/zinc/19/76/88/1052197688.db2.gz DGMFGTNFEYQPAR-XQNSMLJCSA-N 1 0 320.436 4.348 20 30 DIEDRO N#Cc1ccc(-c2cccc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)c2)cc1 ZINC001218098971 1052197891 /nfs/dbraw/zinc/19/78/91/1052197891.db2.gz ZHZDLSARCFDKMG-RTWAWAEBSA-N 1 0 318.420 4.136 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@H]3CC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001218118461 1052199204 /nfs/dbraw/zinc/19/92/04/1052199204.db2.gz NSCBLBDJYVSBKW-YFJYBRFJSA-N 1 0 324.399 4.097 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3CC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001218118455 1052199261 /nfs/dbraw/zinc/19/92/61/1052199261.db2.gz NSCBLBDJYVSBKW-KTFKWIISSA-N 1 0 324.399 4.097 20 30 DIEDRO C[NH2+][C@H]1CC[C@H](Oc2ccc(/N=C/c3ccccc3)cc2)CC1 ZINC001218189918 1052205997 /nfs/dbraw/zinc/20/59/97/1052205997.db2.gz OKXMYJZVYPGGMC-LAVIXYAKSA-N 1 0 308.425 4.347 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(SCc2ccccc2)cc1 ZINC001218207407 1052206864 /nfs/dbraw/zinc/20/68/64/1052206864.db2.gz IUJNTJVEEMBEBW-IBGZPJMESA-N 1 0 311.450 4.276 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1OC1=CC(=O)C=CC1=NNc1ccccc1 ZINC001218206272 1052207059 /nfs/dbraw/zinc/20/70/59/1052207059.db2.gz AKWDACNQFPCCCS-MKSIGINJSA-N 1 0 309.369 4.105 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](Oc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC001218213155 1052208538 /nfs/dbraw/zinc/20/85/38/1052208538.db2.gz HCXSGMYPILDZSE-HXUWFJFHSA-N 1 0 321.496 4.291 20 30 DIEDRO C[Si](C)(C)C#C[C@H](Oc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC001218213152 1052209127 /nfs/dbraw/zinc/20/91/27/1052209127.db2.gz HCXSGMYPILDZSE-FQEVSTJZSA-N 1 0 321.496 4.291 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218264236 1052215262 /nfs/dbraw/zinc/21/52/62/1052215262.db2.gz UAERRICSHMWSTR-UHFFFAOYSA-N 1 0 320.436 4.348 20 30 DIEDRO N#Cc1ccc(-c2cccc(OC3CCC4(C[NH2+]C4)CC3)c2)cc1 ZINC001218263816 1052215733 /nfs/dbraw/zinc/21/57/33/1052215733.db2.gz LYPMZFFEDFEBFG-UHFFFAOYSA-N 1 0 318.420 4.136 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2ccccc2C)C2CCCC2)CC1 ZINC000495095290 1052215831 /nfs/dbraw/zinc/21/58/31/1052215831.db2.gz WSTIWXIHQXDDRB-OAQYLSRUSA-N 1 0 312.501 4.466 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218308256 1052221863 /nfs/dbraw/zinc/22/18/63/1052221863.db2.gz GEIQVPOESRDUJM-IBGZPJMESA-N 1 0 320.436 4.491 20 30 DIEDRO C(=N/c1ccc(O[C@@H]2CC[NH2+]C3(CCC3)C2)cc1)\c1ccccc1 ZINC001218310763 1052223496 /nfs/dbraw/zinc/22/34/96/1052223496.db2.gz ZHJPQCOGRYTRPO-JFLDFIPSSA-N 1 0 320.436 4.491 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@H]2C=CC[NH2+]C2)cc1 ZINC001218335197 1052226695 /nfs/dbraw/zinc/22/66/95/1052226695.db2.gz UYFNJMCQRQGMRB-SFHVURJKSA-N 1 0 301.430 4.137 20 30 DIEDRO C[C@@H]1CC[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C[NH2+]1 ZINC001218409137 1052236079 /nfs/dbraw/zinc/23/60/79/1052236079.db2.gz WZAMEKXPEJYTRI-JCPIINTKSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@H]1CC[C@@H](Oc2ccccc2C=Nc2ccc(F)cc2)C[NH2+]1 ZINC001218406240 1052236291 /nfs/dbraw/zinc/23/62/91/1052236291.db2.gz MYLQXJASDVBDPO-KBXCAEBGSA-N 1 0 312.388 4.096 20 30 DIEDRO C=CC[C@@H](CCCC)Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001218438700 1052238410 /nfs/dbraw/zinc/23/84/10/1052238410.db2.gz NMTRZKUSLRUFIJ-IBGZPJMESA-N 1 0 316.489 4.123 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000229689430 1052239643 /nfs/dbraw/zinc/23/96/43/1052239643.db2.gz GIJGBILAKRISPT-QMMMGPOBSA-N 1 0 324.140 4.012 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc2[nH]c3ccccc3c21 ZINC001218452641 1052241280 /nfs/dbraw/zinc/24/12/80/1052241280.db2.gz ZTRKLBQMVKXZDM-SJLPKXTDSA-N 1 0 306.409 4.397 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc2ccccc2c1C(C)=O ZINC001218456360 1052241650 /nfs/dbraw/zinc/24/16/50/1052241650.db2.gz XZPLYTZPOSEETK-QZTJIDSGSA-N 1 0 309.409 4.118 20 30 DIEDRO CC1(C)C[C@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)CC[NH2+]1 ZINC001218468929 1052243042 /nfs/dbraw/zinc/24/30/42/1052243042.db2.gz GIQAPMJRTHQAAB-LJQANCHMSA-N 1 0 306.409 4.135 20 30 DIEDRO CC1(C)C[C@@H](Oc2cccc(-c3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC001218479043 1052244606 /nfs/dbraw/zinc/24/46/06/1052244606.db2.gz RLDZOLMVJJUTOZ-IBGZPJMESA-N 1 0 306.409 4.135 20 30 DIEDRO C=CCCCCCCCCC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218712418 1052254106 /nfs/dbraw/zinc/25/41/06/1052254106.db2.gz YFVZFALIPBFCQM-HNNXBMFYSA-N 1 0 319.449 4.344 20 30 DIEDRO C=C(C)Cc1ccc(C(=O)Nc2ccc(C(C)(C)C[NH3+])cc2)cc1 ZINC001218897024 1052261496 /nfs/dbraw/zinc/26/14/96/1052261496.db2.gz IRONBIPFHFJJLK-UHFFFAOYSA-N 1 0 322.452 4.294 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cccc2c(C)c(C)[nH]c21 ZINC001219339305 1052283835 /nfs/dbraw/zinc/28/38/35/1052283835.db2.gz UIJLCQNHWZVRPW-INIZCTEOSA-N 1 0 313.445 4.187 20 30 DIEDRO CCC(CC)(CNc1ncccc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000495320090 1052294960 /nfs/dbraw/zinc/29/49/60/1052294960.db2.gz XPAMXTLURZQHMM-MRXNPFEDSA-N 1 0 322.456 4.275 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000315386283 1052336840 /nfs/dbraw/zinc/33/68/40/1052336840.db2.gz KOLDVOQSRKJNMF-BRWVUGGUSA-N 1 0 300.446 4.456 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000315889943 1052355298 /nfs/dbraw/zinc/35/52/98/1052355298.db2.gz PMRFMMPWNGECOY-HZPDHXFCSA-N 1 0 306.498 4.404 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000315848383 1052355780 /nfs/dbraw/zinc/35/57/80/1052355780.db2.gz FQCGSLICGGKJLB-SFHVURJKSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCCC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000316891161 1052375807 /nfs/dbraw/zinc/37/58/07/1052375807.db2.gz CSDQZXDVSQIUPD-SFHVURJKSA-N 1 0 311.510 4.445 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000236689755 1052428465 /nfs/dbraw/zinc/42/84/65/1052428465.db2.gz ZDZWJSQZPQGBPO-UHFFFAOYSA-N 1 0 313.272 4.124 20 30 DIEDRO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237512839 1052441887 /nfs/dbraw/zinc/44/18/87/1052441887.db2.gz BJLRBTOGVBZSIE-GOSISDBHSA-N 1 0 322.452 4.480 20 30 DIEDRO CCCCCCCCCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000915745924 1052475136 /nfs/dbraw/zinc/47/51/36/1052475136.db2.gz NIHJYBGJZWLBSV-ZWKOTPCHSA-N 1 0 308.510 4.260 20 30 DIEDRO CC[N@H+](Cc1nc2ccccc2o1)[C@H](C)c1ccc(C#N)cc1 ZINC000193760125 1052476707 /nfs/dbraw/zinc/47/67/07/1052476707.db2.gz HPBHTEYNSSUTLE-CQSZACIVSA-N 1 0 305.381 4.283 20 30 DIEDRO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccc1C ZINC000153736491 1052479231 /nfs/dbraw/zinc/47/92/31/1052479231.db2.gz MEQZQQHPZITTOS-KRWDZBQOSA-N 1 0 308.425 4.308 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC001222677582 1052524712 /nfs/dbraw/zinc/52/47/12/1052524712.db2.gz CZYJBEMUFAHTHL-UHFFFAOYSA-N 1 0 317.436 4.428 20 30 DIEDRO CCc1ccc([C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000763231555 1052548406 /nfs/dbraw/zinc/54/84/06/1052548406.db2.gz CJIGMCLEDCBXFV-SFTDATJTSA-N 1 0 322.452 4.141 20 30 DIEDRO CCc1ccc([C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000763231552 1052548969 /nfs/dbraw/zinc/54/89/69/1052548969.db2.gz CJIGMCLEDCBXFV-RTWAWAEBSA-N 1 0 322.452 4.141 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)ccc1C#N ZINC000488138001 1052621444 /nfs/dbraw/zinc/62/14/44/1052621444.db2.gz WBAPGWXKTCFJJP-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO C=C[C@H](C)OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001223629534 1052622251 /nfs/dbraw/zinc/62/22/51/1052622251.db2.gz MHNPHKWNYUNLHJ-KRWDZBQOSA-N 1 0 303.446 4.033 20 30 DIEDRO CCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](CC)c1ccccc1 ZINC000763409111 1052623802 /nfs/dbraw/zinc/62/38/02/1052623802.db2.gz UEDYQAXMHMEKIN-LEWJYISDSA-N 1 0 322.452 4.455 20 30 DIEDRO CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763403724 1052624680 /nfs/dbraw/zinc/62/46/80/1052624680.db2.gz PYKGQMBEKWVYFZ-HXUWFJFHSA-N 1 0 322.452 4.140 20 30 DIEDRO CCCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000763409874 1052625070 /nfs/dbraw/zinc/62/50/70/1052625070.db2.gz VFIXBZISVHRERM-DYESRHJHSA-N 1 0 322.452 4.455 20 30 DIEDRO CCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](CC)c1ccccc1 ZINC000763409112 1052625116 /nfs/dbraw/zinc/62/51/16/1052625116.db2.gz UEDYQAXMHMEKIN-NHCUHLMSSA-N 1 0 322.452 4.455 20 30 DIEDRO C=CCOc1ccccc1CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001223787166 1052637640 /nfs/dbraw/zinc/63/76/40/1052637640.db2.gz QEXKEQWOXSSAHC-BWTSREIZSA-N 1 0 315.457 4.172 20 30 DIEDRO CC(C)[NH+]1CCC(OCc2ccc(C#N)c3ccccc23)CC1 ZINC001224029042 1052662431 /nfs/dbraw/zinc/66/24/31/1052662431.db2.gz NZVUDMWDWZJLGE-UHFFFAOYSA-N 1 0 308.425 4.101 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](O/C(=N/c1ccccc1)c1ccccc1)C2 ZINC001224084734 1052666796 /nfs/dbraw/zinc/66/67/96/1052666796.db2.gz AIVVNNFXNIKCFZ-PYWUEJDMSA-N 1 0 320.436 4.407 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1F ZINC000154244627 1052678331 /nfs/dbraw/zinc/67/83/31/1052678331.db2.gz NQYYSUJPAQBBNM-LSDHHAIUSA-N 1 0 312.388 4.276 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000917007077 1052679445 /nfs/dbraw/zinc/67/94/45/1052679445.db2.gz XGYCMFJJMPPAAY-HXUWFJFHSA-N 1 0 320.436 4.034 20 30 DIEDRO C=C(C)CCCO[C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001224280902 1052685578 /nfs/dbraw/zinc/68/55/78/1052685578.db2.gz GCFDFCPHYJSBCB-ZDUSSCGKSA-N 1 0 314.882 4.134 20 30 DIEDRO N#Cc1ccc(OCCC[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000917063247 1052687962 /nfs/dbraw/zinc/68/79/62/1052687962.db2.gz BHGSKVAWRSGJCU-UHFFFAOYSA-N 1 0 324.424 4.365 20 30 DIEDRO C=CCCO[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001224339077 1052690367 /nfs/dbraw/zinc/69/03/67/1052690367.db2.gz CUSVWALKHCPEKW-ZDUSSCGKSA-N 1 0 300.229 4.160 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000917074658 1052691360 /nfs/dbraw/zinc/69/13/60/1052691360.db2.gz FRTIDLJQVMVZJV-UHFFFAOYSA-N 1 0 307.441 4.035 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OCCCCCCC#N ZINC001224373307 1052692105 /nfs/dbraw/zinc/69/21/05/1052692105.db2.gz PNFLZRDHONCXKL-ICSRJNTNSA-N 1 0 314.473 4.388 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OCCCCCCC#N ZINC001224375852 1052692281 /nfs/dbraw/zinc/69/22/81/1052692281.db2.gz MKCFZSJQNSTASA-AZUAARDMSA-N 1 0 314.473 4.388 20 30 DIEDRO CCCCCCCCCO[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001224393092 1052693999 /nfs/dbraw/zinc/69/39/99/1052693999.db2.gz SSJMBYNIPVREIZ-WGSAOQKQSA-N 1 0 311.510 4.397 20 30 DIEDRO C=CCCCCCO[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001224428304 1052695901 /nfs/dbraw/zinc/69/59/01/1052695901.db2.gz UTKBKJFWJDNIDM-QZTJIDSGSA-N 1 0 302.462 4.370 20 30 DIEDRO CCN(CCC#N)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000127625493 1052700359 /nfs/dbraw/zinc/70/03/59/1052700359.db2.gz LKGTYEINIFTDPQ-UHFFFAOYSA-N 1 0 315.398 4.059 20 30 DIEDRO CCCCCCCOC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001224619115 1052710634 /nfs/dbraw/zinc/71/06/34/1052710634.db2.gz LFOYHRFXXBYJCZ-HXUWFJFHSA-N 1 0 319.489 4.265 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000917168740 1052713564 /nfs/dbraw/zinc/71/35/64/1052713564.db2.gz ZKSXTRNGLBGFEK-UHFFFAOYSA-N 1 0 315.244 4.218 20 30 DIEDRO C[C@@H]([C@H](OCCCCCC#N)c1ccccc1)[NH+]1CCCC1 ZINC001224692576 1052716669 /nfs/dbraw/zinc/71/66/69/1052716669.db2.gz MBNOHTFWLCXOQM-HKUYNNGSSA-N 1 0 300.446 4.313 20 30 DIEDRO C=C(CO[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1)c1ccccc1 ZINC001224738376 1052721499 /nfs/dbraw/zinc/72/14/99/1052721499.db2.gz DSKSLEQSCPWPKJ-ICSRJNTNSA-N 1 0 322.452 4.337 20 30 DIEDRO C=C(COC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC001224739257 1052722105 /nfs/dbraw/zinc/72/21/05/1052722105.db2.gz OJNAJRSZBKRIME-UHFFFAOYSA-N 1 0 321.464 4.424 20 30 DIEDRO CCOc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1O ZINC000154374260 1052723007 /nfs/dbraw/zinc/72/30/07/1052723007.db2.gz GVPXZXRJQBGVAJ-UHFFFAOYSA-N 1 0 324.424 4.073 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(C)c1 ZINC000917361161 1052723955 /nfs/dbraw/zinc/72/39/55/1052723955.db2.gz UDPFUIRKDODYED-UHFFFAOYSA-N 1 0 308.425 4.288 20 30 DIEDRO C[N@@H+]1CCC[C@H]1CO[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC001224816797 1052727977 /nfs/dbraw/zinc/72/79/77/1052727977.db2.gz ALJJVBYLDGZSIO-FXAWDEMLSA-N 1 0 322.408 4.154 20 30 DIEDRO N#C[C@H](OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224829053 1052728927 /nfs/dbraw/zinc/72/89/27/1052728927.db2.gz HLTDSJBCOSOBKD-CTNGQTDRSA-N 1 0 320.436 4.180 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1O)CCC2 ZINC000917457624 1052729678 /nfs/dbraw/zinc/72/96/78/1052729678.db2.gz MVUDJRUNCQNVLL-UHFFFAOYSA-N 1 0 320.436 4.165 20 30 DIEDRO C[C@@H](CC(C)(C)S)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224823755 1052729684 /nfs/dbraw/zinc/72/96/84/1052729684.db2.gz GVFREMFTDQYDGM-WMZOPIPTSA-N 1 0 321.530 4.402 20 30 DIEDRO CC[NH+](CC)CCO[C@H](C#Cc1ccccc1)c1ccccc1 ZINC001224931530 1052737157 /nfs/dbraw/zinc/73/71/57/1052737157.db2.gz HGRPTXFKDPOMRH-OAQYLSRUSA-N 1 0 307.437 4.138 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1C#N ZINC001225197064 1052752882 /nfs/dbraw/zinc/75/28/82/1052752882.db2.gz CYRBYNSUTMBQFE-HXUWFJFHSA-N 1 0 320.436 4.238 20 30 DIEDRO CC[NH+](CC)C[C@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC001225334751 1052775757 /nfs/dbraw/zinc/77/57/57/1052775757.db2.gz RKAMYOINKDPOIA-INIZCTEOSA-N 1 0 308.425 4.334 20 30 DIEDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC001225334755 1052775783 /nfs/dbraw/zinc/77/57/83/1052775783.db2.gz RKAMYOINKDPOIA-MRXNPFEDSA-N 1 0 308.425 4.334 20 30 DIEDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225335415 1052776233 /nfs/dbraw/zinc/77/62/33/1052776233.db2.gz UXXRVHVAFOLGFW-FQEVSTJZSA-N 1 0 306.409 4.087 20 30 DIEDRO C=C[C@@]1(C)CC[C@H](Oc2ccc(C[NH+](C)C)cc2)C(C)(C)O1 ZINC001225335365 1052776255 /nfs/dbraw/zinc/77/62/55/1052776255.db2.gz ZZWPAOWUJUQGFK-HKUYNNGSSA-N 1 0 303.446 4.029 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000129336932 1052783400 /nfs/dbraw/zinc/78/34/00/1052783400.db2.gz PBNYBEOYOFLDKS-SECBINFHSA-N 1 0 306.294 4.080 20 30 DIEDRO Cc1c(C#N)ccc(O[C@@H](CC[NH+](C)C)c2cccs2)c1C ZINC001225512981 1052798366 /nfs/dbraw/zinc/79/83/66/1052798366.db2.gz JEAHNANBRMTJGW-KRWDZBQOSA-N 1 0 314.454 4.308 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(C2CC2)c1 ZINC000556118740 1052803188 /nfs/dbraw/zinc/80/31/88/1052803188.db2.gz JVRGWLXGWWBUJA-HNNXBMFYSA-N 1 0 306.409 4.165 20 30 DIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000609280905 1052807102 /nfs/dbraw/zinc/80/71/02/1052807102.db2.gz VPSFAPHAXJGPNY-IBGZPJMESA-N 1 0 306.409 4.294 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)CC2 ZINC000556211387 1052821057 /nfs/dbraw/zinc/82/10/57/1052821057.db2.gz CIFWUHGAZMKDFZ-SFTDATJTSA-N 1 0 302.421 4.329 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C[C@H]3CCC4(CCCCC4)O3)CC2)c1 ZINC000556511374 1052858401 /nfs/dbraw/zinc/85/84/01/1052858401.db2.gz HJMGNWJWQGXGPY-GOSISDBHSA-N 1 0 310.441 4.019 20 30 DIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556598549 1052869359 /nfs/dbraw/zinc/86/93/59/1052869359.db2.gz PKVFRUMLZJFZSX-AWEZNQCLSA-N 1 0 321.380 4.115 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)CC2)c1 ZINC000556610732 1052870952 /nfs/dbraw/zinc/87/09/52/1052870952.db2.gz VCKPFTFIKHQVCM-UYAOXDASSA-N 1 0 302.421 4.473 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@H]3CC[C@H](c4ccccc4)C3)CC2)c1 ZINC000556610728 1052870964 /nfs/dbraw/zinc/87/09/64/1052870964.db2.gz VCKPFTFIKHQVCM-ICSRJNTNSA-N 1 0 302.421 4.473 20 30 DIEDRO C=C[C@@]1(C)CC[C@@H](Oc2cc(N)[nH+]c3ccccc32)C(C)(C)O1 ZINC001226423598 1052895423 /nfs/dbraw/zinc/89/54/23/1052895423.db2.gz ZAKIQESRLVNSJC-APWZRJJASA-N 1 0 312.413 4.098 20 30 DIEDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(Cl)cc(C#N)cc2Cl)CC1 ZINC001226588332 1052913505 /nfs/dbraw/zinc/91/35/05/1052913505.db2.gz UNJJGOWDDIPAHV-HAQNSBGRSA-N 1 0 313.228 4.117 20 30 DIEDRO C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](Oc3cc[nH+]c(N)c3)[C@@H]12 ZINC001226658089 1052919175 /nfs/dbraw/zinc/91/91/75/1052919175.db2.gz VHFFFYMTDUFLPK-FDQCIGCSSA-N 1 0 322.408 4.070 20 30 DIEDRO CC(C)c1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000920181892 1052925622 /nfs/dbraw/zinc/92/56/22/1052925622.db2.gz OMIQYOUSSWAMPG-UHFFFAOYSA-N 1 0 321.468 4.450 20 30 DIEDRO Cc1ccc(C#N)c(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001226756719 1052928124 /nfs/dbraw/zinc/92/81/24/1052928124.db2.gz SDMZKNBFVWKUBR-PXNSSMCTSA-N 1 0 320.436 4.156 20 30 DIEDRO Cc1cc(O[C@@H](CC[NH+](C)C)c2cccs2)cc(C)c1C#N ZINC001226832021 1052935870 /nfs/dbraw/zinc/93/58/70/1052935870.db2.gz OUHDBTFQYZQKQM-KRWDZBQOSA-N 1 0 314.454 4.308 20 30 DIEDRO Cc1ccc(C#N)cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001226879475 1052941211 /nfs/dbraw/zinc/94/12/11/1052941211.db2.gz WJOGFYHUNNJZBP-XLIONFOSSA-N 1 0 320.436 4.156 20 30 DIEDRO Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC001226920697 1052945810 /nfs/dbraw/zinc/94/58/10/1052945810.db2.gz WISVIOGQIABLKJ-XLIONFOSSA-N 1 0 320.436 4.156 20 30 DIEDRO C[NH+](C)[C@@H](C/N=C\c1c(O)ccc2ccccc21)c1ccccc1 ZINC000920942502 1052955428 /nfs/dbraw/zinc/95/54/28/1052955428.db2.gz DWRXXJWQUDZSMB-ALFKQNEGSA-N 1 0 318.420 4.267 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCSCc2ccccc2)cc1 ZINC000920957138 1052956507 /nfs/dbraw/zinc/95/65/07/1052956507.db2.gz JYDKIXZWANJXHR-UHFFFAOYSA-N 1 0 313.466 4.274 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1ccc(Cl)cc1C#N)c1ccccc1 ZINC001227205474 1052972735 /nfs/dbraw/zinc/97/27/35/1052972735.db2.gz KOXVOSSFGPHFNA-GOSISDBHSA-N 1 0 314.816 4.283 20 30 DIEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609433329 1052977119 /nfs/dbraw/zinc/97/71/19/1052977119.db2.gz UVNMTFZGLSQHFJ-HRAATJIYSA-N 1 0 320.436 4.415 20 30 DIEDRO C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000609433160 1052977222 /nfs/dbraw/zinc/97/72/22/1052977222.db2.gz AEZSKPPMUWLYDJ-MRXNPFEDSA-N 1 0 320.436 4.273 20 30 DIEDRO CC1(C)C[C@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609433182 1052977306 /nfs/dbraw/zinc/97/73/06/1052977306.db2.gz DRMJPRGWKULSNL-LJQANCHMSA-N 1 0 306.409 4.025 20 30 DIEDRO O=C1C=C[C@H](Oc2ccc3ccccc3c2C[NH+]2CCCCC2)C1 ZINC001227277249 1052978840 /nfs/dbraw/zinc/97/88/40/1052978840.db2.gz QTXGEMYHQXWHRO-SFHVURJKSA-N 1 0 321.420 4.102 20 30 DIEDRO C=CC[N@H+](CCSc1ccccc1)Cc1cccc(C#N)c1 ZINC000609798478 1052993122 /nfs/dbraw/zinc/99/31/22/1052993122.db2.gz IGIJHGKIZNZTCI-UHFFFAOYSA-N 1 0 308.450 4.339 20 30 DIEDRO COc1ccc2c(c1)CCC[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000609823629 1052994311 /nfs/dbraw/zinc/99/43/11/1052994311.db2.gz YFQDFCMZIHYMOJ-OAHLLOKOSA-N 1 0 306.409 4.076 20 30 DIEDRO Cc1ccc(OC2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000609823637 1052994332 /nfs/dbraw/zinc/99/43/32/1052994332.db2.gz ZILJFPZKRJPUOL-QGZVFWFLSA-N 1 0 320.436 4.471 20 30 DIEDRO Cc1ccc(C)c(OC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000064631740 1052997182 /nfs/dbraw/zinc/99/71/82/1052997182.db2.gz CABTZYKBTSNMEA-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO C=CCC[NH+]1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1 ZINC000610080284 1053007259 /nfs/dbraw/zinc/00/72/59/1053007259.db2.gz OYVSHGZEVWQGJP-LJQANCHMSA-N 1 0 315.457 4.012 20 30 DIEDRO Cc1cccc([C@H](C)C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000237544516 1053010620 /nfs/dbraw/zinc/01/06/20/1053010620.db2.gz YXJFUGFXLHJWKW-GOSISDBHSA-N 1 0 321.468 4.238 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCCOc2ccccc2)c(F)c1 ZINC000615132083 1053012174 /nfs/dbraw/zinc/01/21/74/1053012174.db2.gz YRANCTMTFHCWOU-UHFFFAOYSA-N 1 0 312.388 4.036 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2CCCCCCC2)cc1 ZINC000237565946 1053012384 /nfs/dbraw/zinc/01/23/84/1053012384.db2.gz KNRWQLKEFFTWIS-MRXNPFEDSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000237598424 1053013864 /nfs/dbraw/zinc/01/38/64/1053013864.db2.gz GKNXYEKTXJXXNL-CQSZACIVSA-N 1 0 306.365 4.013 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2cccc(Cl)c2C#N)CC1(C)C ZINC001227790618 1053017086 /nfs/dbraw/zinc/01/70/86/1053017086.db2.gz YJSKNVWXSOROCV-UHFFFAOYSA-N 1 0 306.837 4.242 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000615440002 1053017196 /nfs/dbraw/zinc/01/71/96/1053017196.db2.gz AQZQGQAQMNRYJK-UZLBHIALSA-N 1 0 306.409 4.083 20 30 DIEDRO CC[N@H+](Cc1cn(C)nc1C(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000179722754 1053023498 /nfs/dbraw/zinc/02/34/98/1053023498.db2.gz GDBICAGWPJKURQ-HNNXBMFYSA-N 1 0 324.472 4.172 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cc(F)ccc1F ZINC000179777927 1053026374 /nfs/dbraw/zinc/02/63/74/1053026374.db2.gz UOWPRLFOQHOOAC-QGZVFWFLSA-N 1 0 304.315 4.216 20 30 DIEDRO Cc1c(C#N)cccc1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001228027537 1053037548 /nfs/dbraw/zinc/03/75/48/1053037548.db2.gz LYSDBWFPJORFLD-INIZCTEOSA-N 1 0 300.427 4.000 20 30 DIEDRO Cc1c(C#N)cccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001228027941 1053037616 /nfs/dbraw/zinc/03/76/16/1053037616.db2.gz TVCXCNLWPZKGDN-OXJNMPFZSA-N 1 0 320.436 4.156 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2cc(Cl)ccc2C#N)CC1(C)C ZINC001228084811 1053042240 /nfs/dbraw/zinc/04/22/40/1053042240.db2.gz RDCDZUZLTJFCPH-UHFFFAOYSA-N 1 0 306.837 4.242 20 30 DIEDRO Cc1cc(OC2CC[NH+](Cc3ccccc3)CC2)c(C)cc1C#N ZINC001228142631 1053047095 /nfs/dbraw/zinc/04/70/95/1053047095.db2.gz AMKMHGPCWHVIFX-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccsc1 ZINC000187776248 1053054016 /nfs/dbraw/zinc/05/40/16/1053054016.db2.gz IFGDFUZUNRRJPR-QGZVFWFLSA-N 1 0 300.427 4.281 20 30 DIEDRO C=CCCC1(C[NH2+]C[C@H](Cc2ccccc2)OC)CCCC1 ZINC001474625310 1053064326 /nfs/dbraw/zinc/06/43/26/1053064326.db2.gz MGQGWOVMOVQPFC-IBGZPJMESA-N 1 0 301.474 4.360 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180541918 1053066628 /nfs/dbraw/zinc/06/66/28/1053066628.db2.gz IHOZHVHWPGOCMF-HOTGVXAUSA-N 1 0 324.424 4.399 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000616731111 1053070391 /nfs/dbraw/zinc/07/03/91/1053070391.db2.gz GRHRILIYNUFDNR-UHFFFAOYSA-N 1 0 316.351 4.350 20 30 DIEDRO C#CC[C@H](C)Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001228374866 1053087045 /nfs/dbraw/zinc/08/70/45/1053087045.db2.gz SJSSFYSUAFUBQL-INIZCTEOSA-N 1 0 308.425 4.011 20 30 DIEDRO C[NH+](C)Cc1c(OC2CCC(C#N)CC2)ccc2ccccc21 ZINC001228440925 1053104278 /nfs/dbraw/zinc/10/42/78/1053104278.db2.gz IRQXLKFQUGSCMB-UHFFFAOYSA-N 1 0 308.425 4.363 20 30 DIEDRO N#Cc1ccc(Br)c(C[NH+]2C3CCCC2CCC3)c1 ZINC000617201595 1053109980 /nfs/dbraw/zinc/10/99/80/1053109980.db2.gz SAZNHUAAQVLPQQ-UHFFFAOYSA-N 1 0 319.246 4.228 20 30 DIEDRO C[NH+]1CCC(Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)CC1 ZINC001228499830 1053118855 /nfs/dbraw/zinc/11/88/55/1053118855.db2.gz ZIAMPSMWLLEFTM-XFXZXTDPSA-N 1 0 321.420 4.056 20 30 DIEDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 ZINC001228499155 1053119592 /nfs/dbraw/zinc/11/95/92/1053119592.db2.gz SZOUGJFCNOWFGR-KSVUCXBSSA-N 1 0 324.444 4.056 20 30 DIEDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1/C=C/C(=O)c1ccccc1 ZINC001228542526 1053129523 /nfs/dbraw/zinc/12/95/23/1053129523.db2.gz ICRXDLSIZMKXPQ-ZWKQNVPVSA-N 1 0 324.444 4.056 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccccc2C=Nc2ccccc2)CC1 ZINC001228564605 1053135508 /nfs/dbraw/zinc/13/55/08/1053135508.db2.gz MAZPCCDKLRHCKB-LJQANCHMSA-N 1 0 308.425 4.300 20 30 DIEDRO N#Cc1cncc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)c1 ZINC001351177970 1053145512 /nfs/dbraw/zinc/14/55/12/1053145512.db2.gz XAAWPAIMKLIANE-FQEVSTJZSA-N 1 0 305.425 4.364 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181302339 1053180117 /nfs/dbraw/zinc/18/01/17/1053180117.db2.gz GWTWJTFMRPGNFF-ZDUSSCGKSA-N 1 0 317.230 4.308 20 30 DIEDRO COc1cccc2c(C[N@H+](C)Cc3cc(C#N)cs3)cccc12 ZINC001474726566 1053187310 /nfs/dbraw/zinc/18/73/10/1053187310.db2.gz PFYPPXORYIMCGP-UHFFFAOYSA-N 1 0 322.433 4.414 20 30 DIEDRO CC#C[C@H](CC)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228830716 1053187723 /nfs/dbraw/zinc/18/77/23/1053187723.db2.gz SQFQBXNSEDNHPH-INIZCTEOSA-N 1 0 310.441 4.158 20 30 DIEDRO C#C[C@H]1CCC[C@@H]1Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228829086 1053188224 /nfs/dbraw/zinc/18/82/24/1053188224.db2.gz HOWRQLIBRYJHIZ-BTYIYWSLSA-N 1 0 322.452 4.158 20 30 DIEDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cccc(C#N)c1 ZINC000181398865 1053201497 /nfs/dbraw/zinc/20/14/97/1053201497.db2.gz BPSYAHKWNOOHHK-QFBILLFUSA-N 1 0 323.440 4.029 20 30 DIEDRO CC[C@@H](c1cccc(O[C@@H]2CC[C@H](C#N)C2)c1)[C@@H](C)C[NH+](C)C ZINC001228899950 1053203695 /nfs/dbraw/zinc/20/36/95/1053203695.db2.gz YSENCOBKAVZWBA-XAMWDVODSA-N 1 0 314.473 4.449 20 30 DIEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCC1)c1ccc(OCC#N)cc1 ZINC000181445939 1053214458 /nfs/dbraw/zinc/21/44/58/1053214458.db2.gz DQYLKFJZCIKMDV-KRWDZBQOSA-N 1 0 320.436 4.361 20 30 DIEDRO C=C1CCC(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC001127629244 1053215270 /nfs/dbraw/zinc/21/52/70/1053215270.db2.gz WUZIUZCMIKTTIQ-UHFFFAOYSA-N 1 0 312.457 4.008 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001474738721 1053241597 /nfs/dbraw/zinc/24/15/97/1053241597.db2.gz XURHKJXZZNABKZ-VQHPVUNQSA-N 1 0 322.493 4.251 20 30 DIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(C#N)cc1 ZINC000181594387 1053254463 /nfs/dbraw/zinc/25/44/63/1053254463.db2.gz RQVRMIGZOFRBSC-HNNXBMFYSA-N 1 0 321.449 4.014 20 30 DIEDRO Cc1cccc(C#N)c1O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001229182399 1053269464 /nfs/dbraw/zinc/26/94/64/1053269464.db2.gz FQDMQXGQPMKTHO-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO C=CCOc1cccc(C[N@H+](C)Cc2cc3ccccc3[nH]2)c1 ZINC001319829014 1053278215 /nfs/dbraw/zinc/27/82/15/1053278215.db2.gz PHCVNGROZDGBGP-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cccc(C#N)c1 ZINC000181749233 1053286778 /nfs/dbraw/zinc/28/67/78/1053286778.db2.gz JELGEGVPEIGGPK-SJORKVTESA-N 1 0 321.468 4.338 20 30 DIEDRO C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000181749114 1053287265 /nfs/dbraw/zinc/28/72/65/1053287265.db2.gz VUOHOSFKCXPRGI-IRXDYDNUSA-N 1 0 321.468 4.338 20 30 DIEDRO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000618308039 1053293413 /nfs/dbraw/zinc/29/34/13/1053293413.db2.gz CTVJLBBNJNNJDR-INIZCTEOSA-N 1 0 317.452 4.056 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccc(F)cc1 ZINC001320032546 1053297608 /nfs/dbraw/zinc/29/76/08/1053297608.db2.gz RURUOIFHCXIVHS-WOJBJXKFSA-N 1 0 308.400 4.140 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccc(F)cc1 ZINC001320032543 1053298017 /nfs/dbraw/zinc/29/80/17/1053298017.db2.gz RURUOIFHCXIVHS-PMACEKPBSA-N 1 0 308.400 4.140 20 30 DIEDRO C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000181837359 1053298360 /nfs/dbraw/zinc/29/83/60/1053298360.db2.gz DLTJRGOETPNBCI-OAHLLOKOSA-N 1 0 316.445 4.111 20 30 DIEDRO C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000181837338 1053298636 /nfs/dbraw/zinc/29/86/36/1053298636.db2.gz DLTJRGOETPNBCI-HNNXBMFYSA-N 1 0 316.445 4.111 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1ccc(C#N)cc1 ZINC000181837827 1053298760 /nfs/dbraw/zinc/29/87/60/1053298760.db2.gz KZLHWPQLOOWOPT-HZPDHXFCSA-N 1 0 316.408 4.156 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000100019651 1053299034 /nfs/dbraw/zinc/29/90/34/1053299034.db2.gz BFAFZPMLAPIFCM-LJQANCHMSA-N 1 0 319.489 4.240 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000100019649 1053299365 /nfs/dbraw/zinc/29/93/65/1053299365.db2.gz BFAFZPMLAPIFCM-IBGZPJMESA-N 1 0 319.489 4.240 20 30 DIEDRO Cc1[nH+]c2ccccc2c(NCc2ccc(OCC#N)cc2)c1C ZINC000181877663 1053304119 /nfs/dbraw/zinc/30/41/19/1053304119.db2.gz IWCLSYIDCPCBMV-UHFFFAOYSA-N 1 0 317.392 4.366 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181889209 1053306230 /nfs/dbraw/zinc/30/62/30/1053306230.db2.gz KSXNJSZZYAFHIY-MRXNPFEDSA-N 1 0 324.424 4.147 20 30 DIEDRO CC[N@@H+]1CC[C@H](Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229374324 1053307778 /nfs/dbraw/zinc/30/77/78/1053307778.db2.gz JPCSQVQKUPTVHF-SFHVURJKSA-N 1 0 312.388 4.049 20 30 DIEDRO C[NH+]1CCC(Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)CC1 ZINC001229430371 1053320040 /nfs/dbraw/zinc/32/00/40/1053320040.db2.gz WLDZSWOSVQKDQU-KPKJPENVSA-N 1 0 321.420 4.056 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+]([C@@H](CC)c2ccc(Br)cc2)C1 ZINC001320320874 1053324956 /nfs/dbraw/zinc/32/49/56/1053324956.db2.gz KHINYDUIYITYKN-CVEARBPZSA-N 1 0 324.262 4.177 20 30 DIEDRO CCO[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000618578906 1053325357 /nfs/dbraw/zinc/32/53/57/1053325357.db2.gz SSEZAFDXJYHISG-LEWJYISDSA-N 1 0 320.436 4.303 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)o1 ZINC001320577298 1053346044 /nfs/dbraw/zinc/34/60/44/1053346044.db2.gz XSWZHIHQAUVWPA-MYWSLZCHSA-N 1 0 308.425 4.123 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)ccc1SC ZINC000618741781 1053357238 /nfs/dbraw/zinc/35/72/38/1053357238.db2.gz MNKSNILEYWZXNI-QGZVFWFLSA-N 1 0 324.449 4.066 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000618741654 1053357778 /nfs/dbraw/zinc/35/77/78/1053357778.db2.gz HLTOWFNGHWOAOF-INIZCTEOSA-N 1 0 321.405 4.052 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)ccc1SC ZINC000618741775 1053358330 /nfs/dbraw/zinc/35/83/30/1053358330.db2.gz MNKSNILEYWZXNI-KRWDZBQOSA-N 1 0 324.449 4.066 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000618742262 1053358489 /nfs/dbraw/zinc/35/84/89/1053358489.db2.gz LOJMSMLRBURKPZ-CQSZACIVSA-N 1 0 322.355 4.416 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C/C=C\c1ccc(F)cc1F ZINC000618742164 1053359680 /nfs/dbraw/zinc/35/96/80/1053359680.db2.gz KKBKYUNIMWZQFM-AHUOSZMWSA-N 1 0 310.347 4.127 20 30 DIEDRO C=CCOc1ccccc1O[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001229611544 1053364321 /nfs/dbraw/zinc/36/43/21/1053364321.db2.gz GAYPAUYIVNJOBL-UWJYYQICSA-N 1 0 323.436 4.151 20 30 DIEDRO CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618801854 1053367733 /nfs/dbraw/zinc/36/77/33/1053367733.db2.gz BKHYLBAHLFGIFM-ROUUACIJSA-N 1 0 306.409 4.442 20 30 DIEDRO CCCCCCCCCCCC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001545872941 1053369783 /nfs/dbraw/zinc/36/97/83/1053369783.db2.gz BWALLLDPDMDGIQ-ZWKOTPCHSA-N 1 0 310.526 4.458 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618805266 1053369841 /nfs/dbraw/zinc/36/98/41/1053369841.db2.gz FPZTYYWMJHBGTJ-DJJJIMSYSA-N 1 0 310.828 4.420 20 30 DIEDRO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618806348 1053369958 /nfs/dbraw/zinc/36/99/58/1053369958.db2.gz QSRYJLZQQUGOGK-ZBEGNZNMSA-N 1 0 311.454 4.224 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000618805331 1053371294 /nfs/dbraw/zinc/37/12/94/1053371294.db2.gz GMGJYILLTNZCLR-PMACEKPBSA-N 1 0 301.393 4.158 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000618807611 1053372873 /nfs/dbraw/zinc/37/28/73/1053372873.db2.gz UYQFWTXZWHUMTD-DSKINZAPSA-N 1 0 302.421 4.471 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618806880 1053373178 /nfs/dbraw/zinc/37/31/78/1053373178.db2.gz SYGCXQQCVKLBNW-LEWJYISDSA-N 1 0 318.420 4.221 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618807763 1053374114 /nfs/dbraw/zinc/37/41/14/1053374114.db2.gz WLZDGNLBHCLALG-QVKFZJNVSA-N 1 0 320.436 4.165 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001320910687 1053375009 /nfs/dbraw/zinc/37/50/09/1053375009.db2.gz OTCGUZRTOIOQIN-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CS1 ZINC000618831382 1053376808 /nfs/dbraw/zinc/37/68/08/1053376808.db2.gz OKZRHZWHFKDTOU-XIRDDKMYSA-N 1 0 300.471 4.055 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2ccc(F)cc2F)C2CC2)cc1 ZINC001320967413 1053377842 /nfs/dbraw/zinc/37/78/42/1053377842.db2.gz GMSAFTUHGHMYOL-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO N#CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC001320967755 1053378842 /nfs/dbraw/zinc/37/88/42/1053378842.db2.gz PSWRHLFCUFVPEL-UHFFFAOYSA-N 1 0 314.816 4.312 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001320967555 1053379574 /nfs/dbraw/zinc/37/95/74/1053379574.db2.gz IQBSLAQHYHRRJH-CQSZACIVSA-N 1 0 317.816 4.377 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](OCCC)CC2)cc1 ZINC000093316641 1053383504 /nfs/dbraw/zinc/38/35/04/1053383504.db2.gz RVMQVMFJRQDAAJ-GOSISDBHSA-N 1 0 303.446 4.033 20 30 DIEDRO CCC[C@H](C#Cc1ccccc1)Oc1ccccc1C[NH+](C)C ZINC001229701589 1053387006 /nfs/dbraw/zinc/38/70/06/1053387006.db2.gz KAQGOXQMOZACHI-HXUWFJFHSA-N 1 0 307.437 4.347 20 30 DIEDRO CCC[C@@H](C#Cc1ccccc1)Oc1ccccc1C[NH+](C)C ZINC001229701588 1053388330 /nfs/dbraw/zinc/38/83/30/1053388330.db2.gz KAQGOXQMOZACHI-FQEVSTJZSA-N 1 0 307.437 4.347 20 30 DIEDRO C/C(=N\O)c1ccccc1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001229737408 1053395980 /nfs/dbraw/zinc/39/59/80/1053395980.db2.gz XYZCIHCRBRKCKK-HZGBGQKMSA-N 1 0 318.442 4.018 20 30 DIEDRO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1cccc(OCC#N)c1 ZINC001352749576 1053398158 /nfs/dbraw/zinc/39/81/58/1053398158.db2.gz IJZCKYNJTHBMJF-UHFFFAOYSA-N 1 0 312.413 4.078 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)CC1CCCCC1 ZINC000093382956 1053398650 /nfs/dbraw/zinc/39/86/50/1053398650.db2.gz KOWHREVLESBHEO-UHFFFAOYSA-N 1 0 310.445 4.040 20 30 DIEDRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001321198566 1053399653 /nfs/dbraw/zinc/39/96/53/1053399653.db2.gz ARXRALRFZMHYIJ-UXHICEINSA-N 1 0 320.436 4.261 20 30 DIEDRO C=C(C[NH2+]Cc1cc2ccccc2nc1OC)c1ccccc1 ZINC001200135451 1053408367 /nfs/dbraw/zinc/40/83/67/1053408367.db2.gz NWZKPKJTHZZYAW-UHFFFAOYSA-N 1 0 304.393 4.046 20 30 DIEDRO CC(C)[C@H](C[NH2+]Cc1cccc(OCC#N)c1)c1ccccc1 ZINC001321540064 1053418709 /nfs/dbraw/zinc/41/87/09/1053418709.db2.gz JZGTYJYLBRMTGG-FQEVSTJZSA-N 1 0 308.425 4.118 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](Oc2ccc(F)cc2C[NH+](C)C)C(C)(C)O1 ZINC001229859064 1053419064 /nfs/dbraw/zinc/41/90/64/1053419064.db2.gz WOTLUWJCSVWLMJ-IEBWSBKVSA-N 1 0 321.436 4.168 20 30 DIEDRO C=CC[N@H+](Cc1cc2ccccc2[nH]1)Cc1cccc(C#N)c1 ZINC000619068784 1053426684 /nfs/dbraw/zinc/42/66/84/1053426684.db2.gz HJMSDPVLSDORNZ-UHFFFAOYSA-N 1 0 301.393 4.228 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555364825 1053436404 /nfs/dbraw/zinc/43/64/04/1053436404.db2.gz YBSPFBGGJOKBFH-UHFFFAOYSA-N 1 0 302.296 4.012 20 30 DIEDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C3(C#N)CC3)cc1)C2 ZINC001229942638 1053436555 /nfs/dbraw/zinc/43/65/55/1053436555.db2.gz BETIVBDWBODJGN-DZFIZOCASA-N 1 0 310.441 4.024 20 30 DIEDRO CCCCCCCc1nnc([C@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001322364612 1053493793 /nfs/dbraw/zinc/49/37/93/1053493793.db2.gz PTLYDCXMOQDDMT-MRXNPFEDSA-N 1 0 307.482 4.418 20 30 DIEDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508469 1053496583 /nfs/dbraw/zinc/49/65/83/1053496583.db2.gz YXYICQNRVLQGKJ-FOIQADDNSA-N 1 0 305.425 4.380 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccncc1 ZINC000619508427 1053496831 /nfs/dbraw/zinc/49/68/31/1053496831.db2.gz SXIDZQLBAAQMTA-QRWLVFNGSA-N 1 0 305.425 4.114 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c(F)c1 ZINC000619508303 1053497630 /nfs/dbraw/zinc/49/76/30/1053497630.db2.gz SHOVGXPOYKELHR-FQEVSTJZSA-N 1 0 319.383 4.126 20 30 DIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000619535348 1053507911 /nfs/dbraw/zinc/50/79/11/1053507911.db2.gz YNOHRQQRJJWXAS-QWHCGFSZSA-N 1 0 310.363 4.481 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1CC#N ZINC001230273014 1053508866 /nfs/dbraw/zinc/50/88/66/1053508866.db2.gz TUIWORXDXZQKHC-UTKZUKDTSA-N 1 0 320.436 4.042 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1CC#N ZINC001230273015 1053509539 /nfs/dbraw/zinc/50/95/39/1053509539.db2.gz TUIWORXDXZQKHC-UWJYYQICSA-N 1 0 320.436 4.042 20 30 DIEDRO Cc1cc(F)cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182755568 1053510063 /nfs/dbraw/zinc/51/00/63/1053510063.db2.gz MJXMYHYYPMVKPK-UHFFFAOYSA-N 1 0 323.415 4.082 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)CCOCC1 ZINC000619621239 1053521654 /nfs/dbraw/zinc/52/16/54/1053521654.db2.gz XZSNDIKZDXNDNC-QJRAZLAKSA-N 1 0 324.468 4.265 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000619673936 1053527426 /nfs/dbraw/zinc/52/74/26/1053527426.db2.gz GTMJRIWECOWDGS-OAQYLSRUSA-N 1 0 315.420 4.249 20 30 DIEDRO COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000619673653 1053528917 /nfs/dbraw/zinc/52/89/17/1053528917.db2.gz VGLVHJWETXIKOA-UXHICEINSA-N 1 0 318.420 4.221 20 30 DIEDRO CCOc1ccccc1CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001200293633 1053531557 /nfs/dbraw/zinc/53/15/57/1053531557.db2.gz PYLIGNQIZVEGHK-UHFFFAOYSA-N 1 0 322.452 4.219 20 30 DIEDRO CCOc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754653 1053545095 /nfs/dbraw/zinc/54/50/95/1053545095.db2.gz GSIDKLGWOQLEAQ-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754733 1053545464 /nfs/dbraw/zinc/54/54/64/1053545464.db2.gz JGTOATOAWFDNSL-ZDUSSCGKSA-N 1 0 316.807 4.462 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1Cl ZINC000619755615 1053547366 /nfs/dbraw/zinc/54/73/66/1053547366.db2.gz NNFYUTUBGONWPZ-GOSISDBHSA-N 1 0 311.816 4.238 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)ccc1F ZINC000619755358 1053547705 /nfs/dbraw/zinc/54/77/05/1053547705.db2.gz FSDZWLNPRGWYNR-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(OC)cc1 ZINC000619755692 1053547816 /nfs/dbraw/zinc/54/78/16/1053547816.db2.gz PJPKUHDWCUBLRR-SFHVURJKSA-N 1 0 314.816 4.461 20 30 DIEDRO CCCCCCCCNC(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC001230488456 1053547803 /nfs/dbraw/zinc/54/78/03/1053547803.db2.gz VWMYUKKLHXRCII-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755420 1053548154 /nfs/dbraw/zinc/54/81/54/1053548154.db2.gz ITBJQCOLBABMQQ-ZDUSSCGKSA-N 1 0 314.816 4.380 20 30 DIEDRO C[C@@H](CCc1ccsc1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754482 1053548293 /nfs/dbraw/zinc/54/82/93/1053548293.db2.gz AMXSSWQEPYMIIR-LBPRGKRZSA-N 1 0 304.846 4.384 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccn1 ZINC000619755676 1053548709 /nfs/dbraw/zinc/54/87/09/1053548709.db2.gz PBRUWCVTZVQXLI-SFHVURJKSA-N 1 0 313.832 4.484 20 30 DIEDRO C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754480 1053548805 /nfs/dbraw/zinc/54/88/05/1053548805.db2.gz ALJQXPBBWSDBJL-ZDUSSCGKSA-N 1 0 316.807 4.462 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619755091 1053548930 /nfs/dbraw/zinc/54/89/30/1053548930.db2.gz SVCQXKSENWEVLK-AWEZNQCLSA-N 1 0 317.845 4.144 20 30 DIEDRO Cc1cc(C#N)ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001230682588 1053579722 /nfs/dbraw/zinc/57/97/22/1053579722.db2.gz OJBXBDPXYSWPPP-UWJYYQICSA-N 1 0 320.436 4.156 20 30 DIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(Cl)c(F)c1 ZINC001323438357 1053583206 /nfs/dbraw/zinc/58/32/06/1053583206.db2.gz CXEZKJUWQSHTAF-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO C=CCc1cccc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c1 ZINC001231011288 1053651035 /nfs/dbraw/zinc/65/10/35/1053651035.db2.gz YABFCGDJRYFBST-VQIMIIECSA-N 1 0 308.425 4.024 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC001324425231 1053652785 /nfs/dbraw/zinc/65/27/85/1053652785.db2.gz QCIKNXQHRUNECU-UHFFFAOYSA-N 1 0 314.473 4.468 20 30 DIEDRO COc1cccc2cc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)oc21 ZINC001324588878 1053665717 /nfs/dbraw/zinc/66/57/17/1053665717.db2.gz PNMFPNKCMHENCG-SFHVURJKSA-N 1 0 318.376 4.090 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)C2CCCCC2)cc1 ZINC001324823159 1053682260 /nfs/dbraw/zinc/68/22/60/1053682260.db2.gz FGCRITUJQABDSO-OAHLLOKOSA-N 1 0 300.446 4.426 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CCc3c2cccc3Cl)c1 ZINC001324843247 1053684355 /nfs/dbraw/zinc/68/43/55/1053684355.db2.gz VPYJDMYGKSZDSR-GOSISDBHSA-N 1 0 312.800 4.019 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)c(F)c1 ZINC001324890235 1053685687 /nfs/dbraw/zinc/68/56/87/1053685687.db2.gz DMJVCWBCYJNCGI-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO CC1(C)CC[C@H]([NH2+]Cc2cccc(OCC#N)c2)c2ccccc21 ZINC001325027654 1053695954 /nfs/dbraw/zinc/69/59/54/1053695954.db2.gz HQVVJKVQPXYNIB-FQEVSTJZSA-N 1 0 320.436 4.491 20 30 DIEDRO CC[NH+]1CCC(Oc2ccc(/N=C/c3ccccc3)cc2)CC1 ZINC001231200404 1053698666 /nfs/dbraw/zinc/69/86/66/1053698666.db2.gz OHRSIDBIRKDUKH-LTGZKZEYSA-N 1 0 308.425 4.300 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC001353899656 1053701028 /nfs/dbraw/zinc/70/10/28/1053701028.db2.gz PWJQYBMENXHEFD-IBGZPJMESA-N 1 0 319.383 4.346 20 30 DIEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000154136904 1053726730 /nfs/dbraw/zinc/72/67/30/1053726730.db2.gz INWITPQVMKSWSO-IAGOWNOFSA-N 1 0 316.445 4.046 20 30 DIEDRO C=C(C[NH2+]Cc1cc(Cl)c(OC)c(OC)c1)c1ccccc1 ZINC000620757849 1053729829 /nfs/dbraw/zinc/72/98/29/1053729829.db2.gz REZUDUXCEZZRHM-UHFFFAOYSA-N 1 0 317.816 4.160 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001325874209 1053740131 /nfs/dbraw/zinc/74/01/31/1053740131.db2.gz KTBYRXACDSSPBE-UHFFFAOYSA-N 1 0 318.420 4.026 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(Br)c(Cl)c1 ZINC001231438209 1053752642 /nfs/dbraw/zinc/75/26/42/1053752642.db2.gz DAYLRVZYHIPNFN-UHFFFAOYSA-N 1 0 300.627 4.277 20 30 DIEDRO CCC[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccsc1 ZINC001326117596 1053755942 /nfs/dbraw/zinc/75/59/42/1053755942.db2.gz REEPHYIVAMUBSM-KRWDZBQOSA-N 1 0 300.427 4.281 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OCc2ccccc2)cc1O ZINC001231470147 1053757958 /nfs/dbraw/zinc/75/79/58/1053757958.db2.gz PGNZHXBFPCEHGW-UHFFFAOYSA-N 1 0 311.425 4.369 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000155060940 1053760219 /nfs/dbraw/zinc/76/02/19/1053760219.db2.gz QBGJQZKEZBFIRS-FQEVSTJZSA-N 1 0 320.436 4.359 20 30 DIEDRO O=C1C=C2C[N@@H+](Cc3cccc(-c4ccccc4)c3)CC[C@H]2S1 ZINC001231507619 1053774997 /nfs/dbraw/zinc/77/49/97/1053774997.db2.gz CADIJECTUAASMK-LJQANCHMSA-N 1 0 321.445 4.128 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC(=O)C(C)C)c(OCC)c1 ZINC001231559281 1053783379 /nfs/dbraw/zinc/78/33/79/1053783379.db2.gz FJMBZPWSYDQGBC-UHFFFAOYSA-N 1 0 319.445 4.045 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc([C@H](C)C(F)(F)F)cc2)C1 ZINC001326501253 1053786707 /nfs/dbraw/zinc/78/67/07/1053786707.db2.gz DOUQLLCRBWHIHB-BBRMVZONSA-N 1 0 313.363 4.129 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)CC(C)C ZINC001231616594 1053802207 /nfs/dbraw/zinc/80/22/07/1053802207.db2.gz HRLKKPMYLPLHAQ-UHFFFAOYSA-N 1 0 308.425 4.225 20 30 DIEDRO Cc1oc2ccccc2c1[C@@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC001354229175 1053802279 /nfs/dbraw/zinc/80/22/79/1053802279.db2.gz OGSLXPHDPKRJJJ-CQSZACIVSA-N 1 0 320.392 4.494 20 30 DIEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC001326863021 1053806686 /nfs/dbraw/zinc/80/66/86/1053806686.db2.gz IWPRRXVCQUAVQD-WMZOPIPTSA-N 1 0 300.446 4.283 20 30 DIEDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC001326863020 1053806701 /nfs/dbraw/zinc/80/67/01/1053806701.db2.gz IWPRRXVCQUAVQD-SJLPKXTDSA-N 1 0 300.446 4.283 20 30 DIEDRO COc1cc(C)c(C[NH+]2CCC(CC#N)CC2)cc1C(C)C ZINC001231626166 1053806949 /nfs/dbraw/zinc/80/69/49/1053806949.db2.gz IZKFURPGFXNEJW-UHFFFAOYSA-N 1 0 300.446 4.253 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1 ZINC001231623911 1053806966 /nfs/dbraw/zinc/80/69/66/1053806966.db2.gz BFBWPOSXSJDYQW-IBGZPJMESA-N 1 0 323.436 4.250 20 30 DIEDRO CSc1ccc(CC[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC001326958225 1053813948 /nfs/dbraw/zinc/81/39/48/1053813948.db2.gz VCVWKMSZMVTSPM-UHFFFAOYSA-N 1 0 322.477 4.165 20 30 DIEDRO C#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC001231659139 1053820237 /nfs/dbraw/zinc/82/02/37/1053820237.db2.gz HLLHAMLWCBHLRO-IBGZPJMESA-N 1 0 321.420 4.022 20 30 DIEDRO C#Cc1cccc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001231660033 1053820920 /nfs/dbraw/zinc/82/09/20/1053820920.db2.gz ZTKCGKIVIRCJJN-UHFFFAOYSA-N 1 0 303.327 4.319 20 30 DIEDRO C#Cc1cccc(C[N@@H+](C)Cc2cccc(Br)c2)c1 ZINC001231657903 1053822090 /nfs/dbraw/zinc/82/20/90/1053822090.db2.gz OBHKTAPPOBDSBS-UHFFFAOYSA-N 1 0 314.226 4.062 20 30 DIEDRO C#Cc1cccc(C[N@H+](Cc2ccccc2)Cc2cccnc2)c1 ZINC001231659305 1053823681 /nfs/dbraw/zinc/82/36/81/1053823681.db2.gz IRKWFDKBQIWAKD-UHFFFAOYSA-N 1 0 312.416 4.265 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc1 ZINC001200623072 1053824234 /nfs/dbraw/zinc/82/42/34/1053824234.db2.gz UGLQKZCGCGRMSF-AUUYWEPGSA-N 1 0 313.828 4.187 20 30 DIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)c(F)c1 ZINC001327012496 1053825386 /nfs/dbraw/zinc/82/53/86/1053825386.db2.gz JKQLSEOKYUWTLD-ZDUSSCGKSA-N 1 0 324.827 4.230 20 30 DIEDRO C#Cc1cccc(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)c1 ZINC001231660553 1053826704 /nfs/dbraw/zinc/82/67/04/1053826704.db2.gz HYHGYGVWFQDTPA-IBGZPJMESA-N 1 0 311.425 4.174 20 30 DIEDRO C#Cc1cccc(C[N@H+](CCCCCCO)Cc2ccccc2)c1 ZINC001231660916 1053827144 /nfs/dbraw/zinc/82/71/44/1053827144.db2.gz LIYQTCWNAJXRFH-UHFFFAOYSA-N 1 0 321.464 4.223 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1ccc(OC)c(OC(C)=O)c1 ZINC001231709164 1053838961 /nfs/dbraw/zinc/83/89/61/1053838961.db2.gz GKOHOKPTVXXTGF-UHFFFAOYSA-N 1 0 321.461 4.413 20 30 DIEDRO CSc1ccccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001231784403 1053858313 /nfs/dbraw/zinc/85/83/13/1053858313.db2.gz XVIMQLPWMOWWIR-UHFFFAOYSA-N 1 0 322.477 4.466 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001328162280 1053912523 /nfs/dbraw/zinc/91/25/23/1053912523.db2.gz XMDIWPVKYUKEJV-OWCLPIDISA-N 1 0 304.384 4.011 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000278100422 1053933829 /nfs/dbraw/zinc/93/38/29/1053933829.db2.gz KGYXIHRXHGKHJG-UHFFFAOYSA-N 1 0 314.473 4.388 20 30 DIEDRO C=CC[N@@H+](Cc1ncc(Br)cc1C)C1CCCCC1 ZINC001232053498 1053948887 /nfs/dbraw/zinc/94/88/87/1053948887.db2.gz XSSRVADBBUXHJX-UHFFFAOYSA-N 1 0 323.278 4.473 20 30 DIEDRO CCC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001232078666 1053956115 /nfs/dbraw/zinc/95/61/15/1053956115.db2.gz DHRWYSQULVRUGB-KRWDZBQOSA-N 1 0 315.482 4.148 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc1Cl ZINC001232117278 1053969074 /nfs/dbraw/zinc/96/90/74/1053969074.db2.gz XQWMHVKIYWXJCW-IYBDPMFKSA-N 1 0 308.812 4.298 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC001329175508 1053971414 /nfs/dbraw/zinc/97/14/14/1053971414.db2.gz VINZOCANKQQXTA-CKHPTIKVSA-N 1 0 317.436 4.136 20 30 DIEDRO CCCCCCCC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001354876673 1053991833 /nfs/dbraw/zinc/99/18/33/1053991833.db2.gz HYVQHNUMEFVYBJ-SFHVURJKSA-N 1 0 310.526 4.220 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1c(F)cccc1Cl)CC2 ZINC001329956988 1054013109 /nfs/dbraw/zinc/01/31/09/1054013109.db2.gz PUZVZMMHDOKWRH-GOSISDBHSA-N 1 0 314.791 4.170 20 30 DIEDRO C#CCN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCc2ccccc21 ZINC001232609098 1054079822 /nfs/dbraw/zinc/07/98/22/1054079822.db2.gz KEZOVDAVENDHHK-HXUWFJFHSA-N 1 0 320.823 4.334 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC001232609071 1054080784 /nfs/dbraw/zinc/08/07/84/1054080784.db2.gz IIAHUPKVVRNINX-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001232609478 1054083853 /nfs/dbraw/zinc/08/38/53/1054083853.db2.gz GFJRESSADCRUHU-IYBDPMFKSA-N 1 0 308.812 4.298 20 30 DIEDRO COc1cccc(C)c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001232623414 1054085607 /nfs/dbraw/zinc/08/56/07/1054085607.db2.gz OTWDKZUTYNLHSA-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO N#CCC[N@H+](Cc1cncc2cnccc21)C1CCCCCCC1 ZINC001232651814 1054091987 /nfs/dbraw/zinc/09/19/87/1054091987.db2.gz WRLTTYLTNARSOK-UHFFFAOYSA-N 1 0 322.456 4.458 20 30 DIEDRO CNc1ccccc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001232670518 1054095802 /nfs/dbraw/zinc/09/58/02/1054095802.db2.gz FBWPIIJVVDIZRA-UHFFFAOYSA-N 1 0 319.452 4.055 20 30 DIEDRO C[N@H+](Cc1cc2ccc(Cl)cc2[nH]1)Cc1cccc(C#N)c1 ZINC001232735542 1054110496 /nfs/dbraw/zinc/11/04/96/1054110496.db2.gz YJKTUSDATVMPEO-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC001332701193 1054126270 /nfs/dbraw/zinc/12/62/70/1054126270.db2.gz RGPQKXJYWCCCQP-TZIWHRDSSA-N 1 0 320.436 4.043 20 30 DIEDRO C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)s1 ZINC001232846382 1054129789 /nfs/dbraw/zinc/12/97/89/1054129789.db2.gz IQZGGZQOZXFACQ-UHFFFAOYSA-N 1 0 324.371 4.313 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(N(C)C)cc1 ZINC001332896718 1054131182 /nfs/dbraw/zinc/13/11/82/1054131182.db2.gz BSWRWFGJMVQUJD-CYBMUJFWSA-N 1 0 313.832 4.128 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccncc1 ZINC000848537196 1054132922 /nfs/dbraw/zinc/13/29/22/1054132922.db2.gz BJIUMEJJCSXYBX-IBGZPJMESA-N 1 0 305.425 4.290 20 30 DIEDRO C=CCN(Cc1cc(Br)co1)Cc1ccccc1 ZINC001232856924 1054133512 /nfs/dbraw/zinc/13/35/12/1054133512.db2.gz IRCFVTOJUBERNV-UHFFFAOYSA-N 1 0 306.203 4.230 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001232888637 1054140382 /nfs/dbraw/zinc/14/03/82/1054140382.db2.gz RASIKNWQEKFSOI-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000848543539 1054140576 /nfs/dbraw/zinc/14/05/76/1054140576.db2.gz GZJZSNFILDTZGX-UZLBHIALSA-N 1 0 322.452 4.090 20 30 DIEDRO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001232892919 1054141798 /nfs/dbraw/zinc/14/17/98/1054141798.db2.gz ILRLPDLNKOGJED-OAHLLOKOSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001232891026 1054141940 /nfs/dbraw/zinc/14/19/40/1054141940.db2.gz VHVRXSNDLOVDOI-QGZVFWFLSA-N 1 0 308.400 4.152 20 30 DIEDRO CC(C)(O)c1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000848548265 1054143187 /nfs/dbraw/zinc/14/31/87/1054143187.db2.gz YWSHBSNGFAKOEK-UHFFFAOYSA-N 1 0 322.452 4.005 20 30 DIEDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232897084 1054143351 /nfs/dbraw/zinc/14/33/51/1054143351.db2.gz KDKKJSJVZWGICB-NNUKFRKNSA-N 1 0 321.262 4.331 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000848554890 1054147213 /nfs/dbraw/zinc/14/72/13/1054147213.db2.gz FYHKCFPVTIICFS-HNNXBMFYSA-N 1 0 311.256 4.161 20 30 DIEDRO Cc1cnc([C@@H]([NH2+]CCCCC2(C#N)CCC2)C2CC2)s1 ZINC001333312781 1054149758 /nfs/dbraw/zinc/14/97/58/1054149758.db2.gz KXMKLHOMNOKDEL-HNNXBMFYSA-N 1 0 303.475 4.356 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cc1 ZINC000848557725 1054149905 /nfs/dbraw/zinc/14/99/05/1054149905.db2.gz LESODXPQFVMZTL-SJORKVTESA-N 1 0 308.828 4.282 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccnc(Cl)c1 ZINC000848567211 1054152813 /nfs/dbraw/zinc/15/28/13/1054152813.db2.gz QWUUINCCEAAANE-ZDUSSCGKSA-N 1 0 311.816 4.337 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(O)c1 ZINC000848567526 1054154921 /nfs/dbraw/zinc/15/49/21/1054154921.db2.gz XLIOFYFCRUKLTH-HNNXBMFYSA-N 1 0 306.409 4.302 20 30 DIEDRO Cc1cc(O)c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1C ZINC000848568779 1054155156 /nfs/dbraw/zinc/15/51/56/1054155156.db2.gz QTCWEYNPRYTYRH-UHFFFAOYSA-N 1 0 306.409 4.050 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)c(C#N)c1 ZINC001232966579 1054160251 /nfs/dbraw/zinc/16/02/51/1054160251.db2.gz QJFJRNKKRURRHA-UHFFFAOYSA-N 1 0 320.436 4.048 20 30 DIEDRO C=C(C)C(C)(C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001355551513 1054169514 /nfs/dbraw/zinc/16/95/14/1054169514.db2.gz DCCYCCGSZYIMOU-UHFFFAOYSA-N 1 0 314.473 4.256 20 30 DIEDRO CCCCCCCCCC[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233016257 1054174915 /nfs/dbraw/zinc/17/49/15/1054174915.db2.gz QQCFLQVPTMRZAU-UHFFFAOYSA-N 1 0 309.450 4.376 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC001233042598 1054177298 /nfs/dbraw/zinc/17/72/98/1054177298.db2.gz VJRXTICJEIACGW-UHFFFAOYSA-N 1 0 323.362 4.289 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(Cl)c(Br)n1 ZINC001233093021 1054186454 /nfs/dbraw/zinc/18/64/54/1054186454.db2.gz DELOLSLBXNEFMD-UHFFFAOYSA-N 1 0 317.658 4.286 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cc3c(C)ccc(C)c3nc2Cl)C1 ZINC001233137647 1054191501 /nfs/dbraw/zinc/19/15/01/1054191501.db2.gz XAEXDENEMGYVRU-HNNXBMFYSA-N 1 0 312.844 4.350 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(O)c(OCC2CC2)c1 ZINC001233230386 1054209707 /nfs/dbraw/zinc/20/97/07/1054209707.db2.gz ZYCIGPOOWYNAJL-UHFFFAOYSA-N 1 0 323.436 4.369 20 30 DIEDRO Cc1csc(C2([NH2+]CCCCC3(C#N)CCC3)CCC2)n1 ZINC001335779916 1054224446 /nfs/dbraw/zinc/22/44/46/1054224446.db2.gz GWQSKQMHRIIMPD-UHFFFAOYSA-N 1 0 303.475 4.285 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC001233290230 1054224996 /nfs/dbraw/zinc/22/49/96/1054224996.db2.gz QERGGHXXAXNCKM-UHFFFAOYSA-N 1 0 317.816 4.242 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1nc(C2CCCCC2)no1 ZINC001335787063 1054225136 /nfs/dbraw/zinc/22/51/36/1054225136.db2.gz VTKCWIUGNHVSTD-WLYUNCDWSA-N 1 0 316.449 4.098 20 30 DIEDRO CCc1cccc(NC(=[NH2+])NCc2ccc(C(F)F)cc2)c1 ZINC000184879415 1054230171 /nfs/dbraw/zinc/23/01/71/1054230171.db2.gz MYDAFLXHOOHZPC-UHFFFAOYSA-N 1 0 303.356 4.113 20 30 DIEDRO N#CCCN(Cc1c(O)ccc(F)c1F)C1CCCCCCC1 ZINC001233334554 1054234877 /nfs/dbraw/zinc/23/48/77/1054234877.db2.gz LLPLKVNORFRDOE-UHFFFAOYSA-N 1 0 322.399 4.499 20 30 DIEDRO C=C1CCN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)CC1 ZINC001336416935 1054236952 /nfs/dbraw/zinc/23/69/52/1054236952.db2.gz FLRAMDCPSBQLHU-UHFFFAOYSA-N 1 0 308.303 4.290 20 30 DIEDRO CC[N@@H+]1CCC[C@@H](Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233512688 1054285982 /nfs/dbraw/zinc/28/59/82/1054285982.db2.gz PXETWZHJKXURNP-HXUWFJFHSA-N 1 0 306.409 4.088 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(-c3ccc(C#N)cc3)c1)C2 ZINC001233510673 1054286573 /nfs/dbraw/zinc/28/65/73/1054286573.db2.gz FCCUNLWWWAARNJ-KXTWHKPSSA-N 1 0 318.420 4.229 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1c(Cl)cccc1C#N)c1cccs1 ZINC001233547192 1054293557 /nfs/dbraw/zinc/29/35/57/1054293557.db2.gz GFPKYBDDXCQMPM-AWEZNQCLSA-N 1 0 320.845 4.345 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000848919193 1054297610 /nfs/dbraw/zinc/29/76/10/1054297610.db2.gz GYEIZUWIEMGUDP-UHFFFAOYSA-N 1 0 314.816 4.137 20 30 DIEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccc(C#N)c(Cl)c1 ZINC000848989039 1054325603 /nfs/dbraw/zinc/32/56/03/1054325603.db2.gz VATYBEJBKQCPMJ-CYBMUJFWSA-N 1 0 320.868 4.040 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001339869227 1054349981 /nfs/dbraw/zinc/34/99/81/1054349981.db2.gz FEGAQUOFEGSAPA-UHFFFAOYSA-N 1 0 312.457 4.004 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](OC)c1ccc(F)cc1)c1ccco1 ZINC001340991349 1054374440 /nfs/dbraw/zinc/37/44/40/1054374440.db2.gz MKNSNKUBWONGGU-AEFFLSMTSA-N 1 0 303.377 4.403 20 30 DIEDRO CCCCCCCCNC(=[NH2+])NCc1cccc2cccnc21 ZINC000849074427 1054374593 /nfs/dbraw/zinc/37/45/93/1054374593.db2.gz YVDRCPBPNVQQJY-UHFFFAOYSA-N 1 0 312.461 4.209 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC001341139057 1054377725 /nfs/dbraw/zinc/37/77/25/1054377725.db2.gz QTOJPPISJNJKDT-MRXNPFEDSA-N 1 0 307.441 4.092 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1cccc(C(C)C)c1)c1ccc(F)cc1 ZINC000849085331 1054378752 /nfs/dbraw/zinc/37/87/52/1054378752.db2.gz FQKAWMOSYBJPTK-GOSISDBHSA-N 1 0 309.388 4.260 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1ccc(Cl)c(C#N)c1)c1cccs1 ZINC001233920176 1054387547 /nfs/dbraw/zinc/38/75/47/1054387547.db2.gz BYTFAXZOGNPAEN-HNNXBMFYSA-N 1 0 320.845 4.345 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC001233926354 1054390657 /nfs/dbraw/zinc/39/06/57/1054390657.db2.gz ZFWSZMYKXGKJGJ-SFHVURJKSA-N 1 0 314.816 4.283 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001341570323 1054394882 /nfs/dbraw/zinc/39/48/82/1054394882.db2.gz WEPAJDXUWBEYAW-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001442105505 1054409666 /nfs/dbraw/zinc/40/96/66/1054409666.db2.gz LZYCQZYBCKFLIM-GUDVDZBRSA-N 1 0 322.537 4.316 20 30 DIEDRO C=CC[C@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000172322155 1054423138 /nfs/dbraw/zinc/42/31/38/1054423138.db2.gz XTBKBPKZUGKYFU-KRWDZBQOSA-N 1 0 322.452 4.013 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c1 ZINC001343260354 1054439144 /nfs/dbraw/zinc/43/91/44/1054439144.db2.gz QKUBJYBEZIHQKV-OALUTQOASA-N 1 0 306.409 4.015 20 30 DIEDRO FCCCCC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000671240237 1054457186 /nfs/dbraw/zinc/45/71/86/1054457186.db2.gz UKFTYZBJWZMOHC-UWVGGRQHSA-N 1 0 309.269 4.189 20 30 DIEDRO C=CCC1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)CCCC1 ZINC001443907815 1054462728 /nfs/dbraw/zinc/46/27/28/1054462728.db2.gz NDYFLEZEXXYDRH-QGZVFWFLSA-N 1 0 320.521 4.140 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(C)ccc1Oc1ccccc1 ZINC001445454319 1054509508 /nfs/dbraw/zinc/50/95/08/1054509508.db2.gz QBROXQHHBDZHPR-UHFFFAOYSA-N 1 0 324.424 4.234 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(F)c(Cl)c1 ZINC000763825463 1054529766 /nfs/dbraw/zinc/52/97/66/1054529766.db2.gz NMKJYSXJANMQJN-UHFFFAOYSA-N 1 0 318.779 4.013 20 30 DIEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072775775 1054532723 /nfs/dbraw/zinc/53/27/23/1054532723.db2.gz CSVHYBBMMHRTDA-WMLDXEAASA-N 1 0 324.428 4.009 20 30 DIEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072775772 1054533065 /nfs/dbraw/zinc/53/30/65/1054533065.db2.gz CSVHYBBMMHRTDA-PBHICJAKSA-N 1 0 324.428 4.009 20 30 DIEDRO CC(C)c1c(C#N)cccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001234852940 1054602936 /nfs/dbraw/zinc/60/29/36/1054602936.db2.gz AZDRHUOXTIHGHE-LJQANCHMSA-N 1 0 320.436 4.335 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234996300 1054638824 /nfs/dbraw/zinc/63/88/24/1054638824.db2.gz FGTDAQVLZYSDQE-UHFFFAOYSA-N 1 0 306.409 4.185 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001450234395 1054641714 /nfs/dbraw/zinc/64/17/14/1054641714.db2.gz FNVJEAFGQYQOEJ-ICSRJNTNSA-N 1 0 322.537 4.317 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccc(-c2nnc(C)o2)cc1 ZINC001235048068 1054645885 /nfs/dbraw/zinc/64/58/85/1054645885.db2.gz JKVFFAYSKUPQGG-UHFFFAOYSA-N 1 0 301.434 4.447 20 30 DIEDRO CCCCCCCCN1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235067817 1054651075 /nfs/dbraw/zinc/65/10/75/1054651075.db2.gz ASRWSDOLIHTDDU-HNNXBMFYSA-N 1 0 320.443 4.496 20 30 DIEDRO C=CC[N@H+](Cc1cc(Br)cc(F)c1[O-])C(C)(C)C ZINC001235066678 1054651675 /nfs/dbraw/zinc/65/16/75/1054651675.db2.gz LXNKHQABYYJEIK-UHFFFAOYSA-N 1 0 316.214 4.080 20 30 DIEDRO CCCCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001450808030 1054661389 /nfs/dbraw/zinc/66/13/89/1054661389.db2.gz XXULRAPCOVVECB-MJGOQNOKSA-N 1 0 316.489 4.126 20 30 DIEDRO C=CCCCCCCCCN1CC(F)(F)CC12CC[NH2+]CC2 ZINC001235131500 1054661589 /nfs/dbraw/zinc/66/15/89/1054661589.db2.gz CLELECNHYDFQQS-UHFFFAOYSA-N 1 0 314.464 4.366 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cc2c(cccc2Br)[nH]1 ZINC001235216571 1054684534 /nfs/dbraw/zinc/68/45/34/1054684534.db2.gz BWKCVQHZBMKZCA-UHFFFAOYSA-N 1 0 307.235 4.328 20 30 DIEDRO CCCN(CCC#N)Cc1cc2c(cccc2Br)[nH]1 ZINC001235220824 1054684670 /nfs/dbraw/zinc/68/46/70/1054684670.db2.gz PLWGLVDOVRBTPX-UHFFFAOYSA-N 1 0 320.234 4.056 20 30 DIEDRO CCCCCCCN1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248718 1054692034 /nfs/dbraw/zinc/69/20/34/1054692034.db2.gz ZDQGYZRVVJJWLU-WOJBJXKFSA-N 1 0 300.490 4.178 20 30 DIEDRO CCC(CC)(CNc1ccc(C#N)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000495319516 1054710489 /nfs/dbraw/zinc/71/04/89/1054710489.db2.gz PMWFPRDDUNEFFM-INIZCTEOSA-N 1 0 322.456 4.275 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CCOCCOc2ccccc2)CCCC1(C)C ZINC001473431896 1054719528 /nfs/dbraw/zinc/71/95/28/1054719528.db2.gz IJEFYKQSWDXLHE-IBGZPJMESA-N 1 0 317.473 4.149 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2ccc(OC(C)=O)cc2)CCCC1(C)C ZINC001473433535 1054724184 /nfs/dbraw/zinc/72/41/84/1054724184.db2.gz VMVQWSGPIWLFGE-GOSISDBHSA-N 1 0 301.430 4.179 20 30 DIEDRO CCCCCCCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC001235474757 1054730474 /nfs/dbraw/zinc/73/04/74/1054730474.db2.gz UNDZKPSQSWBFGI-UHFFFAOYSA-N 1 0 318.505 4.220 20 30 DIEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001473544175 1054736744 /nfs/dbraw/zinc/73/67/44/1054736744.db2.gz MXWYIKARFLNZAE-NSHDSACASA-N 1 0 307.235 4.084 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC001235523287 1054737329 /nfs/dbraw/zinc/73/73/29/1054737329.db2.gz QJANXCGHQYCZSO-UHFFFAOYSA-N 1 0 320.436 4.044 20 30 DIEDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccccc1CC#N ZINC001235528194 1054737494 /nfs/dbraw/zinc/73/74/94/1054737494.db2.gz NSKRORXMECUEFL-HXUWFJFHSA-N 1 0 320.436 4.236 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001235527805 1054738033 /nfs/dbraw/zinc/73/80/33/1054738033.db2.gz LFPPFURJAHAMCQ-SFHVURJKSA-N 1 0 310.828 4.396 20 30 DIEDRO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001453633389 1054742452 /nfs/dbraw/zinc/74/24/52/1054742452.db2.gz BXFFDOZWBGBVHX-KRWDZBQOSA-N 1 0 318.505 4.036 20 30 DIEDRO C=CCSCC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000180455548 1054758108 /nfs/dbraw/zinc/75/81/08/1054758108.db2.gz PTEUCOSSRGAOJW-CHWSQXEVSA-N 1 0 306.500 4.297 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180952163 1054782051 /nfs/dbraw/zinc/78/20/51/1054782051.db2.gz WIBRCBNVPODBMF-CABCVRRESA-N 1 0 321.486 4.018 20 30 DIEDRO CCN(CCC#N)Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235769318 1054804379 /nfs/dbraw/zinc/80/43/79/1054804379.db2.gz NEDXCNAMHYRANH-UHFFFAOYSA-N 1 0 312.388 4.140 20 30 DIEDRO CNc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001235789694 1054805870 /nfs/dbraw/zinc/80/58/70/1054805870.db2.gz WCFGRWLNVGPSSA-UHFFFAOYSA-N 1 0 319.452 4.055 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)c1ccc(Br)cc1 ZINC001474547414 1054822947 /nfs/dbraw/zinc/82/29/47/1054822947.db2.gz ZSSNJRQZDJSCHX-OWCLPIDISA-N 1 0 306.247 4.148 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](Cc1ccccc1)OC ZINC001474575940 1054828671 /nfs/dbraw/zinc/82/86/71/1054828671.db2.gz GYVQUHKTCWPGRU-RTWAWAEBSA-N 1 0 309.453 4.021 20 30 DIEDRO N#Cc1cc(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)ccc1F ZINC001235897900 1054836328 /nfs/dbraw/zinc/83/63/28/1054836328.db2.gz UNUYNJRSPQPINT-UHFFFAOYSA-N 1 0 316.326 4.238 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624037647 1054861822 /nfs/dbraw/zinc/86/18/22/1054861822.db2.gz AYYXAZGSYFIAQY-CQSZACIVSA-N 1 0 315.461 4.223 20 30 DIEDRO Cc1ccc(-c2cccc(C[NH+]3CCCCC3)c2F)c(C#N)n1 ZINC001236013005 1054897052 /nfs/dbraw/zinc/89/70/52/1054897052.db2.gz XJAUBESURBHDOS-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000182183788 1054968361 /nfs/dbraw/zinc/96/83/61/1054968361.db2.gz UTKHEKVBVDFGQR-ZIAGYGMSSA-N 1 0 304.434 4.049 20 30 DIEDRO CCOc1cccc2cc([C@H](C)[NH2+]CCCSCC#N)oc21 ZINC000182649557 1055001684 /nfs/dbraw/zinc/00/16/84/1055001684.db2.gz LOXSRMLHDMYMMY-ZDUSSCGKSA-N 1 0 318.442 4.129 20 30 DIEDRO Cc1cc(C)c(C#N)c(-c2ccc(C[NH+]3CCCCC3)c(F)c2)n1 ZINC001236235258 1055026003 /nfs/dbraw/zinc/02/60/03/1055026003.db2.gz YLIZSRYOFYQDLN-UHFFFAOYSA-N 1 0 323.415 4.362 20 30 DIEDRO Cc1ccc(CC#N)c(-c2ccc(C[NH+]3CCCCC3)c(F)c2)n1 ZINC001236244312 1055029295 /nfs/dbraw/zinc/02/92/95/1055029295.db2.gz JYKPJUYRTBBBJR-UHFFFAOYSA-N 1 0 323.415 4.248 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2nc3c(cc2C#N)CCC3)c1 ZINC001236317617 1055053333 /nfs/dbraw/zinc/05/33/33/1055053333.db2.gz PIQVCKZGMRRAJN-UHFFFAOYSA-N 1 0 323.415 4.090 20 30 DIEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236343207 1055068842 /nfs/dbraw/zinc/06/88/42/1055068842.db2.gz OPFYLXLCLNAUOE-UHFFFAOYSA-N 1 0 319.452 4.082 20 30 DIEDRO N#Cc1ccc(-c2ccc(-c3cccc4c3CC[NH2+]C4)cc2)o1 ZINC001236355581 1055071392 /nfs/dbraw/zinc/07/13/92/1055071392.db2.gz XLZPBVPBDAWJHO-UHFFFAOYSA-N 1 0 300.361 4.131 20 30 DIEDRO CCCCCCCN(Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367338 1055077639 /nfs/dbraw/zinc/07/76/39/1055077639.db2.gz NZQTUEWVWMFZAS-UHFFFAOYSA-N 1 0 306.469 4.350 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(CC#N)cc3)CC2)C1 ZINC000184746713 1055081369 /nfs/dbraw/zinc/08/13/69/1055081369.db2.gz ZCEXALLABHCGEV-OXQOHEQNSA-N 1 0 311.473 4.208 20 30 DIEDRO N#CCSCCC[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000184968723 1055085142 /nfs/dbraw/zinc/08/51/42/1055085142.db2.gz MQLIDTLJSIGOEF-MRXNPFEDSA-N 1 0 316.495 4.268 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000184971018 1055085996 /nfs/dbraw/zinc/08/59/96/1055085996.db2.gz IMHGMVBYKUDMTF-SJORKVTESA-N 1 0 309.438 4.065 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2nccc(-c3ccccc3)c2C#N)c1 ZINC001236414915 1055103903 /nfs/dbraw/zinc/10/39/03/1055103903.db2.gz UWKJDQZTZNINEU-UHFFFAOYSA-N 1 0 313.404 4.349 20 30 DIEDRO C=CCCCCCCCCN(Cc1ccncc1)[C@@H]1CC[NH2+]C1 ZINC001236439211 1055113568 /nfs/dbraw/zinc/11/35/68/1055113568.db2.gz DBXGBQAHOFMOLG-HXUWFJFHSA-N 1 0 315.505 4.162 20 30 DIEDRO Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1C#N ZINC001236471757 1055131635 /nfs/dbraw/zinc/13/16/35/1055131635.db2.gz KNCSSAPFBZAPDR-MOPGFXCFSA-N 1 0 315.420 4.082 20 30 DIEDRO Cc1ccc(C#N)nc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001236471482 1055132114 /nfs/dbraw/zinc/13/21/14/1055132114.db2.gz FNCXKQDTFGVLRC-UXHICEINSA-N 1 0 315.420 4.082 20 30 DIEDRO C=CCCCCCN(Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236501959 1055150468 /nfs/dbraw/zinc/15/04/68/1055150468.db2.gz KWLWGEJICYVSMY-UHFFFAOYSA-N 1 0 322.443 4.265 20 30 DIEDRO COc1ccc(-c2ccc(C#N)cc2F)c(C[NH+]2CCCCC2)c1 ZINC001236532695 1055164882 /nfs/dbraw/zinc/16/48/82/1055164882.db2.gz BGOPFJXPAKDQJC-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO N#Cc1ccc(-c2ccc(SC3CC[NH2+]CC3)cc2)c(F)c1 ZINC001236534842 1055166718 /nfs/dbraw/zinc/16/67/18/1055166718.db2.gz MZFBJZJVUDHMGZ-UHFFFAOYSA-N 1 0 312.413 4.208 20 30 DIEDRO COc1ccc(C#N)cc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001236540253 1055170636 /nfs/dbraw/zinc/17/06/36/1055170636.db2.gz JJHSLMWBMMDRJJ-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO COc1ccc(C#N)cc1-c1cc(C[NH+]2CCCC2)ccc1C ZINC001236544722 1055172365 /nfs/dbraw/zinc/17/23/65/1055172365.db2.gz CZONPSPTTDZCKI-UHFFFAOYSA-N 1 0 306.409 4.138 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cc(C#N)ccc2OC)ccc1OC ZINC001236544609 1055172602 /nfs/dbraw/zinc/17/26/02/1055172602.db2.gz AQNMRGLDAHQCHA-UHFFFAOYSA-N 1 0 324.424 4.084 20 30 DIEDRO CCCCCCCCCC[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001620835356 1055223332 /nfs/dbraw/zinc/22/33/32/1055223332.db2.gz FMHMUJNLOJJDHX-DLBZAZTESA-N 1 0 315.473 4.350 20 30 DIEDRO CCCCCCCCCC[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001620835358 1055223973 /nfs/dbraw/zinc/22/39/73/1055223973.db2.gz FMHMUJNLOJJDHX-IRXDYDNUSA-N 1 0 315.473 4.350 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236806850 1055265545 /nfs/dbraw/zinc/26/55/45/1055265545.db2.gz JWEZFHQKDFEBJB-UHFFFAOYSA-N 1 0 317.816 4.242 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCCCCCC2)cc1Br ZINC001236857675 1055291456 /nfs/dbraw/zinc/29/14/56/1055291456.db2.gz ABNOUQOVFDYAMS-UHFFFAOYSA-N 1 0 307.235 4.087 20 30 DIEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C#N)c(Br)c1 ZINC001236857453 1055295400 /nfs/dbraw/zinc/29/54/00/1055295400.db2.gz XMTOMLVAOYHIIK-RYUDHWBXSA-N 1 0 307.235 4.084 20 30 DIEDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(Br)c2)CC1 ZINC001236861910 1055296093 /nfs/dbraw/zinc/29/60/93/1055296093.db2.gz XRUVBQQVPVRYOK-NNUKFRKNSA-N 1 0 321.262 4.331 20 30 DIEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735308747 1055310912 /nfs/dbraw/zinc/31/09/12/1055310912.db2.gz RDLOBBRAPCGCFY-BBRMVZONSA-N 1 0 306.837 4.253 20 30 DIEDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765011955 1055312351 /nfs/dbraw/zinc/31/23/51/1055312351.db2.gz FJTBYUSRBUFQLZ-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000765013894 1055312451 /nfs/dbraw/zinc/31/24/51/1055312451.db2.gz UIQIUNSTBKOVJG-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000765011793 1055314239 /nfs/dbraw/zinc/31/42/39/1055314239.db2.gz DYIUKCDDFBZCJY-ZIAGYGMSSA-N 1 0 321.449 4.450 20 30 DIEDRO Cc1cccc(-c2ccc(C[NH+]3CCC(C)(C#N)CC3)cn2)c1C ZINC001236988900 1055325439 /nfs/dbraw/zinc/32/54/39/1055325439.db2.gz LZKMINJEWNABNM-UHFFFAOYSA-N 1 0 319.452 4.491 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000765308915 1055362250 /nfs/dbraw/zinc/36/22/50/1055362250.db2.gz XMLOQZMNGOVHTR-OAHLLOKOSA-N 1 0 311.450 4.271 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001237104489 1055370757 /nfs/dbraw/zinc/37/07/57/1055370757.db2.gz HLKMPCREIOQBCY-UHFFFAOYSA-N 1 0 302.421 4.384 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000765426538 1055386792 /nfs/dbraw/zinc/38/67/92/1055386792.db2.gz NCYKMGYESNTFTM-VLIAUNLRSA-N 1 0 309.384 4.176 20 30 DIEDRO COc1ccc2c(N[C@H](C)c3ccc(C#N)cc3)cc[nH+]c2c1 ZINC000765468287 1055396425 /nfs/dbraw/zinc/39/64/25/1055396425.db2.gz NKRVNBHGBGRIBN-CYBMUJFWSA-N 1 0 303.365 4.288 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)cc1 ZINC001237245860 1055408195 /nfs/dbraw/zinc/40/81/95/1055408195.db2.gz JTHLJDZLXUZOQK-ICSRJNTNSA-N 1 0 322.839 4.105 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(CC1)NCCc1ccccc12 ZINC001237274422 1055413363 /nfs/dbraw/zinc/41/33/63/1055413363.db2.gz CFFKXKHYDGWKNA-UHFFFAOYSA-N 1 0 312.501 4.260 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccccc1NC(=O)C(C)(C)C ZINC001237413761 1055449927 /nfs/dbraw/zinc/44/99/27/1055449927.db2.gz IFFDHSHSKJFGFR-UHFFFAOYSA-N 1 0 302.462 4.459 20 30 DIEDRO CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC001237467793 1055457028 /nfs/dbraw/zinc/45/70/28/1055457028.db2.gz AWPWCYPPPVKNJR-QGZVFWFLSA-N 1 0 309.438 4.012 20 30 DIEDRO Cn1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)c2cc(C#N)ccc21 ZINC001237471855 1055457741 /nfs/dbraw/zinc/45/77/41/1055457741.db2.gz JEENPKMSWQQDPZ-HXUWFJFHSA-N 1 0 315.420 4.169 20 30 DIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccnc(C#N)c2)cc1C ZINC001237469500 1055458600 /nfs/dbraw/zinc/45/86/00/1055458600.db2.gz WGNHUPKBYHKIDS-FQEVSTJZSA-N 1 0 305.425 4.297 20 30 DIEDRO CC[N@H+](Cc1cn(C)c2ccc(C#N)cc12)Cc1ccc(F)cc1 ZINC001237473183 1055459417 /nfs/dbraw/zinc/45/94/17/1055459417.db2.gz HBIZFIFBEACAJN-UHFFFAOYSA-N 1 0 321.399 4.211 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c(F)cc1F ZINC001237530023 1055469368 /nfs/dbraw/zinc/46/93/68/1055469368.db2.gz LTOPKHLNGVJGJB-AWEZNQCLSA-N 1 0 304.384 4.239 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(C#N)c(F)cc1F ZINC001237535552 1055469926 /nfs/dbraw/zinc/46/99/26/1055469926.db2.gz ZSIYVYBARNMSJM-UHFFFAOYSA-N 1 0 320.770 4.164 20 30 DIEDRO CCCC[N@H+](Cc1cn2cc(C#N)ccc2n1)Cc1ccccc1 ZINC001237614651 1055485242 /nfs/dbraw/zinc/48/52/42/1055485242.db2.gz QGYNNWPKKMSAOU-UHFFFAOYSA-N 1 0 318.424 4.008 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)C1 ZINC001620867231 1055494655 /nfs/dbraw/zinc/49/46/55/1055494655.db2.gz ZZZKUAKORXECIJ-QRQLOZEOSA-N 1 0 323.484 4.446 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237675282 1055503206 /nfs/dbraw/zinc/50/32/06/1055503206.db2.gz DBWRQAONVFTCFU-UHFFFAOYSA-N 1 0 309.450 4.202 20 30 DIEDRO COc1ccc(C[C@H](C)C[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC001620886413 1055510971 /nfs/dbraw/zinc/51/09/71/1055510971.db2.gz ISEWFUCZHUHTJC-HNNXBMFYSA-N 1 0 322.452 4.152 20 30 DIEDRO C[N@H+](Cc1cc(Cl)cc(C#N)c1)Cc1cccc2cccnc21 ZINC001237752743 1055521735 /nfs/dbraw/zinc/52/17/35/1055521735.db2.gz YGEZBIPSSLUGMS-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001237751461 1055522312 /nfs/dbraw/zinc/52/23/12/1055522312.db2.gz KBRLYQXXUPYITL-MRXNPFEDSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001237753709 1055522441 /nfs/dbraw/zinc/52/24/41/1055522441.db2.gz NSBYKXYOPITEDS-IYBDPMFKSA-N 1 0 308.812 4.298 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001237752879 1055523018 /nfs/dbraw/zinc/52/30/18/1055523018.db2.gz GEIUICWCTMKVRB-INIZCTEOSA-N 1 0 306.812 4.316 20 30 DIEDRO C=CCSCC[NH2+]Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC001620897163 1055524174 /nfs/dbraw/zinc/52/41/74/1055524174.db2.gz UMBYIOQSNOETBP-UHFFFAOYSA-N 1 0 318.511 4.436 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC001620907869 1055531495 /nfs/dbraw/zinc/53/14/95/1055531495.db2.gz GUSZNIPHAODGBB-SMDDNHRTSA-N 1 0 312.226 4.423 20 30 DIEDRO C#Cc1ccc(C[NH2+]CC2(c3ccc(C)c(C)c3)CCC2)cc1 ZINC001620920387 1055541696 /nfs/dbraw/zinc/54/16/96/1055541696.db2.gz NFWOEWTXPQRWFL-UHFFFAOYSA-N 1 0 303.449 4.496 20 30 DIEDRO C#CCCC[NH2+]Cc1ccccc1Sc1cccc(OC)c1 ZINC001620926530 1055544674 /nfs/dbraw/zinc/54/46/74/1055544674.db2.gz WHLZYUKPTSENDB-UHFFFAOYSA-N 1 0 311.450 4.349 20 30 DIEDRO C=CCC1(C[NH2+]Cc2csc(C(F)(F)F)n2)CCCC1 ZINC001620935656 1055549604 /nfs/dbraw/zinc/54/96/04/1055549604.db2.gz YYXVNVBQVUVDMZ-UHFFFAOYSA-N 1 0 304.381 4.388 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2CCCCCC2)cc1OC ZINC001620937220 1055552131 /nfs/dbraw/zinc/55/21/31/1055552131.db2.gz JGQPDCGIDYNBAO-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001620945675 1055561762 /nfs/dbraw/zinc/56/17/62/1055561762.db2.gz PRFNTYBKCWQWNQ-UHFFFAOYSA-N 1 0 302.643 4.467 20 30 DIEDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)cc1C#N ZINC001620950100 1055565385 /nfs/dbraw/zinc/56/53/85/1055565385.db2.gz PPKVIAKBPSZDTM-QUCCMNQESA-N 1 0 320.436 4.240 20 30 DIEDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)cc1C#N ZINC001620950098 1055565708 /nfs/dbraw/zinc/56/57/08/1055565708.db2.gz PPKVIAKBPSZDTM-AZUAARDMSA-N 1 0 320.436 4.240 20 30 DIEDRO C#CCOc1ccc(C[NH2+]CC2(c3ccc(C)cc3C)CC2)cc1 ZINC001620951431 1055569570 /nfs/dbraw/zinc/56/95/70/1055569570.db2.gz LKUKHORXXWZSCP-UHFFFAOYSA-N 1 0 319.448 4.137 20 30 DIEDRO C=CCc1cc(C[NH2+][C@]2(C)CCCC[C@H]2C)cc(OC)c1O ZINC001620959578 1055590708 /nfs/dbraw/zinc/59/07/08/1055590708.db2.gz DQMJCJGWLGRHRE-AUUYWEPGSA-N 1 0 303.446 4.188 20 30 DIEDRO Cc1cc(F)cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1O ZINC001238063507 1055598774 /nfs/dbraw/zinc/59/87/74/1055598774.db2.gz XNPUJIBRHBFQIG-UHFFFAOYSA-N 1 0 324.399 4.091 20 30 DIEDRO Cc1ccc(O)cc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001238107561 1055608192 /nfs/dbraw/zinc/60/81/92/1055608192.db2.gz SALZBZRDRWWMPR-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC3(CC(F)(F)C3)CC2)ccc1Cl ZINC001238188470 1055615700 /nfs/dbraw/zinc/61/57/00/1055615700.db2.gz DHSFGOHZLMHGDJ-UHFFFAOYSA-N 1 0 310.775 4.223 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238190816 1055617102 /nfs/dbraw/zinc/61/71/02/1055617102.db2.gz FILSOQVTUAVDGF-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3cncc(C4CC4)c3)CC2)cc1 ZINC001238194730 1055617853 /nfs/dbraw/zinc/61/78/53/1055617853.db2.gz PGLWCPSJVVLMLO-UHFFFAOYSA-N 1 0 317.436 4.210 20 30 DIEDRO C[N@H+](CC/C=C/c1cccnc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238193327 1055618095 /nfs/dbraw/zinc/61/80/95/1055618095.db2.gz BBJCQCCCFRCJSP-GORDUTHDSA-N 1 0 311.816 4.142 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)ccc1Cl ZINC001238191209 1055618369 /nfs/dbraw/zinc/61/83/69/1055618369.db2.gz KFFZSGGFVOCGLI-OAHLLOKOSA-N 1 0 306.812 4.316 20 30 DIEDRO C[N@H+](CCc1ccccc1F)Cc1ccc(Cl)c(C#N)c1 ZINC001238193339 1055618655 /nfs/dbraw/zinc/61/86/55/1055618655.db2.gz BPZIQFRLBVASLF-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CCOc1ccccc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001203545986 1055636246 /nfs/dbraw/zinc/63/62/46/1055636246.db2.gz YRXUPMZUXKRBRX-UHFFFAOYSA-N 1 0 320.436 4.337 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cncc(OC(C)C)c1 ZINC001238469554 1055665638 /nfs/dbraw/zinc/66/56/38/1055665638.db2.gz TVDVKSDTYVQCLC-UHFFFAOYSA-N 1 0 310.441 4.447 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC001620964809 1055668712 /nfs/dbraw/zinc/66/87/12/1055668712.db2.gz GUEKGCAGAPDJCU-UHFFFAOYSA-N 1 0 308.425 4.295 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238640285 1055707856 /nfs/dbraw/zinc/70/78/56/1055707856.db2.gz KKWCYOSMIKNBPZ-HNNXBMFYSA-N 1 0 310.828 4.247 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001620968494 1055721590 /nfs/dbraw/zinc/72/15/90/1055721590.db2.gz YSMDIXWIUHVXMN-LEWJYISDSA-N 1 0 321.464 4.330 20 30 DIEDRO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(C)c1OC(C)C ZINC001238751279 1055740659 /nfs/dbraw/zinc/74/06/59/1055740659.db2.gz CHYQNGFJAXJQDT-LUPIEILUSA-N 1 0 312.457 4.357 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@@H](c3ccc(OC)cc3)C2)ccc1C#N ZINC001238768233 1055745012 /nfs/dbraw/zinc/74/50/12/1055745012.db2.gz HYAXTNKDDKGANV-HXUWFJFHSA-N 1 0 320.436 4.119 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC001566161927 1055745507 /nfs/dbraw/zinc/74/55/07/1055745507.db2.gz XLHMBQGUKSRHQU-XOVFHRFOSA-N 1 0 308.510 4.236 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2sc(C)cc2Br)c1 ZINC001620970173 1055748079 /nfs/dbraw/zinc/74/80/79/1055748079.db2.gz DWHQPZCZILPPEF-UHFFFAOYSA-N 1 0 320.255 4.090 20 30 DIEDRO CCc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)ccc1C#N ZINC001238778734 1055749782 /nfs/dbraw/zinc/74/97/82/1055749782.db2.gz QELIODBNRBLSNI-FQEVSTJZSA-N 1 0 320.436 4.466 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cccnc1OCc1ccccc1 ZINC001238778190 1055750548 /nfs/dbraw/zinc/75/05/48/1055750548.db2.gz OIAHSAGCACBLBC-UHFFFAOYSA-N 1 0 310.441 4.449 20 30 DIEDRO CCc1cc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)ccc1C#N ZINC001238779053 1055751287 /nfs/dbraw/zinc/75/12/87/1055751287.db2.gz SVTAULXIOZGVES-OAHLLOKOSA-N 1 0 308.425 4.322 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccccc1C1([NH3+])CC1 ZINC001238845157 1055766023 /nfs/dbraw/zinc/76/60/23/1055766023.db2.gz WUQDHXOIQBQWMK-UHFFFAOYSA-N 1 0 302.299 4.192 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC001566428956 1055773418 /nfs/dbraw/zinc/77/34/18/1055773418.db2.gz OWXZASXBMOSGGR-SWNWVQGVSA-N 1 0 308.510 4.236 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001566474468 1055775655 /nfs/dbraw/zinc/77/56/55/1055775655.db2.gz BRTYJHAEXOTFHO-BFRYPLHYSA-N 1 0 308.510 4.234 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001597032264 1055778348 /nfs/dbraw/zinc/77/83/48/1055778348.db2.gz PIKYPXNHSHQZND-WNRNVDISSA-N 1 0 310.526 4.361 20 30 DIEDRO C=C(CC(C)C)C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001566806685 1055782680 /nfs/dbraw/zinc/78/26/80/1055782680.db2.gz RLLSUBCZQZTMCJ-UHFFFAOYSA-N 1 0 322.537 4.195 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cccc(CCO)c2)cc1 ZINC001239035703 1055828116 /nfs/dbraw/zinc/82/81/16/1055828116.db2.gz UTRDMGSZXLFBJO-OAQYLSRUSA-N 1 0 307.437 4.211 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)Nc1ccccc1CC[NH3+] ZINC001239196808 1055848340 /nfs/dbraw/zinc/84/83/40/1055848340.db2.gz YQSRAUVRSIHTKQ-HNNXBMFYSA-N 1 0 305.466 4.058 20 30 DIEDRO N#Cc1ccc(/C=C/c2ccc3c(c2)CCC32CC[NH2+]CC2)cc1 ZINC001239292057 1055860291 /nfs/dbraw/zinc/86/02/91/1055860291.db2.gz UHUUZXAUSMIUGQ-DAFODLJHSA-N 1 0 314.432 4.296 20 30 DIEDRO CCCCCCCOC(=O)Nc1cc([C@@H]2CCCC[NH2+]2)no1 ZINC001239312331 1055864858 /nfs/dbraw/zinc/86/48/58/1055864858.db2.gz LXDZBPMYRBGMBE-ZDUSSCGKSA-N 1 0 309.410 4.008 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](C)C[C@H]1CC ZINC001569545725 1055864910 /nfs/dbraw/zinc/86/49/10/1055864910.db2.gz SIOBVHYSKVHSQS-KAUXGEHWSA-N 1 0 308.510 4.236 20 30 DIEDRO CCCCCCCCCOC(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001239318716 1055868690 /nfs/dbraw/zinc/86/86/90/1055868690.db2.gz SRFAVBUZLOTBSJ-OAHLLOKOSA-N 1 0 324.490 4.369 20 30 DIEDRO CCCCCCCCCNC(=S)Nc1ccc(C[NH3+])cc1 ZINC001239343094 1055876041 /nfs/dbraw/zinc/87/60/41/1055876041.db2.gz LWXSDMBIMWGMND-UHFFFAOYSA-N 1 0 307.507 4.182 20 30 DIEDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC001620759652 1055931488 /nfs/dbraw/zinc/93/14/88/1055931488.db2.gz GMNZKMYGZJPKTB-JSGCOSHPSA-N 1 0 321.262 4.237 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC001620782809 1055950283 /nfs/dbraw/zinc/95/02/83/1055950283.db2.gz IFFHGJAXWKBVDC-JQWIXIFHSA-N 1 0 300.265 4.345 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001620462953 1055954027 /nfs/dbraw/zinc/95/40/27/1055954027.db2.gz QAJCLDDZCBETOP-PMACEKPBSA-N 1 0 300.490 4.306 20 30 DIEDRO C=CCC1([NH2+]CCCn2c(=O)[nH]c3ccccc32)CCCCC1 ZINC001620499112 1055955190 /nfs/dbraw/zinc/95/51/90/1055955190.db2.gz DVEJURJYZPYJEP-UHFFFAOYSA-N 1 0 313.445 4.001 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)ccc2Br)C1 ZINC001620783844 1055958237 /nfs/dbraw/zinc/95/82/37/1055958237.db2.gz DJADOTQWTGGOKL-OCCSQVGLSA-N 1 0 324.262 4.292 20 30 DIEDRO C=CCCC[C@H]([NH2+]CCC(=O)NC1CCCC1)c1ccccc1 ZINC001620542921 1055965397 /nfs/dbraw/zinc/96/53/97/1055965397.db2.gz NLWOBTZDIIHSPN-IBGZPJMESA-N 1 0 314.473 4.123 20 30 DIEDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@@H](C)C1 ZINC001620999221 1055967966 /nfs/dbraw/zinc/96/79/66/1055967966.db2.gz IBMKTSXJEBGXSB-DZFIZOCASA-N 1 0 313.489 4.198 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC001620573673 1055968865 /nfs/dbraw/zinc/96/88/65/1055968865.db2.gz SFXJFLPAEGICIR-WUTVXBCWSA-N 1 0 318.258 4.198 20 30 DIEDRO C[C@H]1CC[C@@](C)(C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1(C)C ZINC001620999540 1055969167 /nfs/dbraw/zinc/96/91/67/1055969167.db2.gz VODSNJZNRBOIAP-YWZLYKJASA-N 1 0 313.489 4.176 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+]CCc2ccc(C#N)cc2)c(C)c1 ZINC001621004160 1055970375 /nfs/dbraw/zinc/97/03/75/1055970375.db2.gz LMXPRMLAQFIQED-SNAWJCMRSA-N 1 0 304.437 4.329 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(OC)OC)ccc1F ZINC001621004209 1055970482 /nfs/dbraw/zinc/97/04/82/1055970482.db2.gz NXOAPZKFGCKAAT-RDTXWAMCSA-N 1 0 321.436 4.342 20 30 DIEDRO C=CCCC1(C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)CCCC1 ZINC001621004153 1055971177 /nfs/dbraw/zinc/97/11/77/1055971177.db2.gz LIUPMMWDBJQWSO-BRWVUGGUSA-N 1 0 307.478 4.080 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1snc(OC)c1Cl ZINC001621004076 1055971496 /nfs/dbraw/zinc/97/14/96/1055971496.db2.gz HUGMRUDYPQJIPC-MNOVXSKESA-N 1 0 300.855 4.030 20 30 DIEDRO CC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC001621005852 1055972846 /nfs/dbraw/zinc/97/28/46/1055972846.db2.gz QIDNZGZGOZSQPH-IBGZPJMESA-N 1 0 308.425 4.068 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)OCCO3)cc1 ZINC001239606215 1055974476 /nfs/dbraw/zinc/97/44/76/1055974476.db2.gz VHUNXLICWJFNCN-IBGZPJMESA-N 1 0 321.420 4.448 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001620646746 1055976519 /nfs/dbraw/zinc/97/65/19/1055976519.db2.gz OAWYXTJZDJYCJV-OKILXGFUSA-N 1 0 305.384 4.212 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H](C(C)C)C2CC2)ccc1OC ZINC001621013024 1055977345 /nfs/dbraw/zinc/97/73/45/1055977345.db2.gz NNRNMKYXZOBZBD-LJQANCHMSA-N 1 0 303.446 4.174 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC001621013614 1055979935 /nfs/dbraw/zinc/97/99/35/1055979935.db2.gz KXKGBVDHXDZVIG-GVDBMIGSSA-N 1 0 324.509 4.260 20 30 DIEDRO C=C(Cl)CN(CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001620665193 1055980085 /nfs/dbraw/zinc/98/00/85/1055980085.db2.gz YKPFVCQOXJEZEZ-UHFFFAOYSA-N 1 0 306.881 4.116 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001620705815 1055982702 /nfs/dbraw/zinc/98/27/02/1055982702.db2.gz ZLZSLRSLXGFGDS-ZFWWWQNUSA-N 1 0 313.363 4.462 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC001621028726 1055992439 /nfs/dbraw/zinc/99/24/39/1055992439.db2.gz NQZSRYKRYZJBOU-UHFFFAOYSA-N 1 0 301.434 4.071 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC001620800040 1055995178 /nfs/dbraw/zinc/99/51/78/1055995178.db2.gz VYNSDUHVAFVFJS-UHFFFAOYSA-N 1 0 319.326 4.065 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1ccco1 ZINC000671761902 1055998372 /nfs/dbraw/zinc/99/83/72/1055998372.db2.gz DLZBQSKPWAJPAU-JKSUJKDBSA-N 1 0 301.434 4.050 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)cc2F)cc1 ZINC000671764804 1056003280 /nfs/dbraw/zinc/00/32/80/1056003280.db2.gz XULNOZRLGUJISD-CQSZACIVSA-N 1 0 315.388 4.250 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001621045788 1056006072 /nfs/dbraw/zinc/00/60/72/1056006072.db2.gz HPZZIFCKKCKGPH-KRWDZBQOSA-N 1 0 315.388 4.035 20 30 DIEDRO C#CC[N@@H+](C/C(C)=C\c1ccccc1COC)Cc1ccccc1 ZINC001621323531 1056030084 /nfs/dbraw/zinc/03/00/84/1056030084.db2.gz HWCLANCBFUTHCP-CYVLTUHYSA-N 1 0 319.448 4.372 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC001540458376 1056033943 /nfs/dbraw/zinc/03/39/43/1056033943.db2.gz LSMOSZVPPIHRKW-UHFFFAOYSA-N 1 0 308.381 4.032 20 30 DIEDRO C[C@@H]1CC[C@@H](Nc2cccc(CC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001621341514 1056050244 /nfs/dbraw/zinc/05/02/44/1056050244.db2.gz QHBBWTYUOIXZPG-DYESRHJHSA-N 1 0 319.452 4.218 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001540963904 1056086758 /nfs/dbraw/zinc/08/67/58/1056086758.db2.gz KMULIISTJXXKOD-BZSNNMDCSA-N 1 0 308.510 4.116 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000186323164 1056101685 /nfs/dbraw/zinc/10/16/85/1056101685.db2.gz LXCLQODDIPTPLK-WIYYLYMNSA-N 1 0 320.436 4.124 20 30 DIEDRO CCCCCCCCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001542244515 1056111691 /nfs/dbraw/zinc/11/16/91/1056111691.db2.gz OISAKMSAMPVOJQ-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001611178520 1056121465 /nfs/dbraw/zinc/12/14/65/1056121465.db2.gz UHMXSJINFFMWMI-ROUUACIJSA-N 1 0 310.526 4.362 20 30 DIEDRO C[C@H](NCc1ccc(C#N)cc1F)c1nc2ccccc2s1 ZINC000765812527 1056154880 /nfs/dbraw/zinc/15/48/80/1056154880.db2.gz JUJVKJNOIPUIDN-NSHDSACASA-N 1 0 311.385 4.158 20 30 DIEDRO N#Cc1c(F)cc(-c2ccc([C@@H]3CCC[NH2+]3)c(F)c2)cc1F ZINC001239930352 1056165312 /nfs/dbraw/zinc/16/53/12/1056165312.db2.gz CIEGDPHXFQAYFJ-KRWDZBQOSA-N 1 0 302.299 4.067 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cc(F)c(C#N)c(F)c2)ccc1F ZINC001239931811 1056166977 /nfs/dbraw/zinc/16/69/77/1056166977.db2.gz VFCWQFZGGWSVIA-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001543391333 1056212989 /nfs/dbraw/zinc/21/29/89/1056212989.db2.gz VHLFTHDXXCLKPU-FUHWJXTLSA-N 1 0 308.510 4.116 20 30 DIEDRO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC001168623411 1056217942 /nfs/dbraw/zinc/21/79/42/1056217942.db2.gz VAKUCRYKSSKUGY-SFHVURJKSA-N 1 0 300.352 4.120 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000106477435 1056244872 /nfs/dbraw/zinc/24/48/72/1056244872.db2.gz BPWKAUMLVRWXJQ-FQEVSTJZSA-N 1 0 324.399 4.285 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000106477431 1056245345 /nfs/dbraw/zinc/24/53/45/1056245345.db2.gz BPWKAUMLVRWXJQ-HXUWFJFHSA-N 1 0 324.399 4.285 20 30 DIEDRO N#CC1(c2ccccc2-c2cccc3cnccc32)CC[NH2+]CC1 ZINC001240011094 1056250540 /nfs/dbraw/zinc/25/05/40/1056250540.db2.gz PUHBYMYJVFVBOR-UHFFFAOYSA-N 1 0 313.404 4.047 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cccc(C(=O)NC)c2)cc1 ZINC001240019057 1056256668 /nfs/dbraw/zinc/25/66/68/1056256668.db2.gz KBAOMSRBGZMWKP-FQEVSTJZSA-N 1 0 320.436 4.036 20 30 DIEDRO C=C[C@@H]([NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1)c1ccccc1 ZINC001168632046 1056257131 /nfs/dbraw/zinc/25/71/31/1056257131.db2.gz XIZIBMCEVVOVCX-CEWLAPEOSA-N 1 0 323.436 4.432 20 30 DIEDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ncc(C#N)cc1Cl ZINC001612275622 1056263985 /nfs/dbraw/zinc/26/39/85/1056263985.db2.gz GVOHKEICQNKFHB-UHFFFAOYSA-N 1 0 320.868 4.063 20 30 DIEDRO C[N@H+](Cc1ccccc1)[C@H](CNc1cc(F)ccc1C#N)C1CC1 ZINC001612285092 1056266350 /nfs/dbraw/zinc/26/63/50/1056266350.db2.gz HXMWYOKSEQDHFY-HXUWFJFHSA-N 1 0 323.415 4.020 20 30 DIEDRO N#Cc1c[nH]c2ccc(-c3ccc(C[NH+]4CCCC4)cc3)cc12 ZINC001240058180 1056291773 /nfs/dbraw/zinc/29/17/73/1056291773.db2.gz DCVHCPHJPCOHAU-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO C=CCCCC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001584236927 1056296601 /nfs/dbraw/zinc/29/66/01/1056296601.db2.gz VUXFRFDGTZPOBO-UHFFFAOYSA-N 1 0 314.351 4.062 20 30 DIEDRO CO/N=C/c1cc(-c2ccc(C[NH+]3CCCC3)cc2)ccc1F ZINC001240061542 1056297380 /nfs/dbraw/zinc/29/73/80/1056297380.db2.gz GHDCLKFSPXZYIJ-FYJGNVAPSA-N 1 0 312.388 4.069 20 30 DIEDRO N#CC1CCC(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000929231448 1056312935 /nfs/dbraw/zinc/31/29/35/1056312935.db2.gz GVZOPXMAZXTTOC-OFLPRAFFSA-N 1 0 318.486 4.059 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1ccc(C#N)cc1 ZINC000298678999 1056321026 /nfs/dbraw/zinc/32/10/26/1056321026.db2.gz DTBHYVVNLLIPKZ-LLVKDONJSA-N 1 0 322.380 4.458 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(F)c1C#N ZINC000301576325 1056333796 /nfs/dbraw/zinc/33/37/96/1056333796.db2.gz MJILTZIYSPQWGG-HNAYVOBHSA-N 1 0 323.415 4.020 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000301565526 1056334029 /nfs/dbraw/zinc/33/40/29/1056334029.db2.gz WBYYEAYTGPBWHC-WBVHZDCISA-N 1 0 323.415 4.162 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3ccc(C#N)c(F)c3)c(C)c2)CC1 ZINC001240144677 1056353004 /nfs/dbraw/zinc/35/30/04/1056353004.db2.gz XFKGGSWWFQBYIA-UHFFFAOYSA-N 1 0 321.399 4.177 20 30 DIEDRO Cc1cc(C)c(C#N)c(-c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC001240163191 1056359696 /nfs/dbraw/zinc/35/96/96/1056359696.db2.gz XONXVVWSNZEGNY-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO COc1cc(-c2cccc(C[NH+]3CCCCC3)c2)cc(F)c1C#N ZINC001240175363 1056363362 /nfs/dbraw/zinc/36/33/62/1056363362.db2.gz WZZNRHVLCPUFAL-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000404696959 1056412071 /nfs/dbraw/zinc/41/20/71/1056412071.db2.gz WLWOYKWZLBMGFU-CQSZACIVSA-N 1 0 308.400 4.427 20 30 DIEDRO CSC(C)(C)CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001621164394 1056420105 /nfs/dbraw/zinc/42/01/05/1056420105.db2.gz ZFJIPZBVIRFBHM-UHFFFAOYSA-N 1 0 300.471 4.179 20 30 DIEDRO N#Cc1cc(-c2cc(-c3cccs3)ccn2)cc(C2C[NH2+]C2)c1 ZINC001240337844 1056432284 /nfs/dbraw/zinc/43/22/84/1056432284.db2.gz CTDGRUDWNPTNLJ-UHFFFAOYSA-N 1 0 317.417 4.036 20 30 DIEDRO Cc1cccc2c(C)cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)nc12 ZINC001240337903 1056432400 /nfs/dbraw/zinc/43/24/00/1056432400.db2.gz WKURBLJVXPUGRK-UHFFFAOYSA-N 1 0 313.404 4.077 20 30 DIEDRO N#Cc1cc(-c2ccc(C(F)(F)F)c(F)c2)cc(C2C[NH2+]C2)c1 ZINC001240345513 1056438936 /nfs/dbraw/zinc/43/89/36/1056438936.db2.gz KHHHJUSJUPKRRS-UHFFFAOYSA-N 1 0 320.289 4.070 20 30 DIEDRO Cc1c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cccc1C(F)(F)F ZINC001240345957 1056439059 /nfs/dbraw/zinc/43/90/59/1056439059.db2.gz VTAPWNFBTUPVJB-UHFFFAOYSA-N 1 0 316.326 4.239 20 30 DIEDRO Cc1cc(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC001614553068 1056440690 /nfs/dbraw/zinc/44/06/90/1056440690.db2.gz PDUGTZBXAXFGBG-LJQANCHMSA-N 1 0 308.450 4.233 20 30 DIEDRO Cc1[nH]c2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc2c1C ZINC001240350742 1056442361 /nfs/dbraw/zinc/44/23/61/1056442361.db2.gz IXBZJRUINLFWFE-UHFFFAOYSA-N 1 0 301.393 4.010 20 30 DIEDRO Cc1ccc(C(F)(F)F)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240351039 1056442395 /nfs/dbraw/zinc/44/23/95/1056442395.db2.gz KWOWOGYAPCCZJS-UHFFFAOYSA-N 1 0 316.326 4.239 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240355550 1056444024 /nfs/dbraw/zinc/44/40/24/1056444024.db2.gz IPVOXCHCPYJMGW-OAQYLSRUSA-N 1 0 315.420 4.175 20 30 DIEDRO Cc1cc2nccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c2cc1C ZINC001240361626 1056445610 /nfs/dbraw/zinc/44/56/10/1056445610.db2.gz SZRXTTDTLJYPSH-UHFFFAOYSA-N 1 0 313.404 4.077 20 30 DIEDRO CCN(CC)c1ccc(C)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240360823 1056445873 /nfs/dbraw/zinc/44/58/73/1056445873.db2.gz HYRMCJPQUZHOED-UHFFFAOYSA-N 1 0 319.452 4.067 20 30 DIEDRO N#Cc1cc(-c2cccc3c(F)cccc32)cc(C2C[NH2+]C2)c1 ZINC001240361874 1056445906 /nfs/dbraw/zinc/44/59/06/1056445906.db2.gz YKEJQTWWRKOMKE-UHFFFAOYSA-N 1 0 302.352 4.204 20 30 DIEDRO C=CCOc1ccc(-c2ccc(C[NH2+]C(C)(C)C)cc2)nc1C#N ZINC001240365870 1056449962 /nfs/dbraw/zinc/44/99/62/1056449962.db2.gz DYGDAPYLWDAMPJ-UHFFFAOYSA-N 1 0 321.424 4.073 20 30 DIEDRO C=CC1(CC(=O)N(CC[NH+](C)C)C2CCCCC2)CCCCC1 ZINC001584968696 1056453327 /nfs/dbraw/zinc/45/33/27/1056453327.db2.gz ZHCBKUHLJDPRBC-UHFFFAOYSA-N 1 0 320.521 4.236 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+]C(C)(C)C)cc2)cc1CC#N ZINC001240370731 1056457360 /nfs/dbraw/zinc/45/73/60/1056457360.db2.gz VPPFGIMMFGVVPM-UHFFFAOYSA-N 1 0 308.425 4.316 20 30 DIEDRO COc1cc(-c2ccc(C[NH2+]C(C)(C)C)cc2)cc(F)c1C#N ZINC001240378676 1056462036 /nfs/dbraw/zinc/46/20/36/1056462036.db2.gz ZIULASBBTPLPLE-UHFFFAOYSA-N 1 0 312.388 4.261 20 30 DIEDRO CO/N=C/c1cc(-c2ccc(C[NH2+]C(C)(C)C)cc2)ccc1F ZINC001240377808 1056462495 /nfs/dbraw/zinc/46/24/95/1056462495.db2.gz OOYYLTGEFKCBFT-LPYMAVHISA-N 1 0 314.404 4.361 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000072742243 1056468052 /nfs/dbraw/zinc/46/80/52/1056468052.db2.gz XTQXJUYINOBPAM-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@H](C1CC1)[N@H+](CCc1ccc(C#N)cc1)Cc1ccccc1 ZINC001615163433 1056469975 /nfs/dbraw/zinc/46/99/75/1056469975.db2.gz BWCAJHRZPYHCLL-QGZVFWFLSA-N 1 0 304.437 4.401 20 30 DIEDRO CCC[N@H+](CCO[C@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC001615170058 1056469997 /nfs/dbraw/zinc/46/99/97/1056469997.db2.gz WBPROCVUSYZYQM-XLIONFOSSA-N 1 0 314.473 4.366 20 30 DIEDRO COc1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)cc1CC#N ZINC001240388051 1056471444 /nfs/dbraw/zinc/47/14/44/1056471444.db2.gz ZZIHHCXOVZJEJR-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO COc1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)c(CC#N)c1 ZINC001240388465 1056471797 /nfs/dbraw/zinc/47/17/97/1056471797.db2.gz LCFGGSQLNQWOEY-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO C/C(=N\O)c1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001240388602 1056472069 /nfs/dbraw/zinc/47/20/69/1056472069.db2.gz HOCZFUOOCNBYMY-LTGZKZEYSA-N 1 0 306.409 4.174 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168664923 1056476423 /nfs/dbraw/zinc/47/64/23/1056476423.db2.gz KXEHNQYNNUISHZ-IEBWSBKVSA-N 1 0 303.446 4.203 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168664924 1056476936 /nfs/dbraw/zinc/47/69/36/1056476936.db2.gz KXEHNQYNNUISHZ-MJGOQNOKSA-N 1 0 303.446 4.203 20 30 DIEDRO CCC#C[C@@H](C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC001615233783 1056480646 /nfs/dbraw/zinc/48/06/46/1056480646.db2.gz LVMFPMOMPIDTSN-CQSZACIVSA-N 1 0 303.833 4.037 20 30 DIEDRO CCCCCC[C@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC001615229428 1056480875 /nfs/dbraw/zinc/48/08/75/1056480875.db2.gz JFZZCKRZJJGFSS-LPHOPBHVSA-N 1 0 302.462 4.272 20 30 DIEDRO N#Cc1cc(-c2cc(C[NH+]3CCCCC3)ccn2)ccc1Cl ZINC001240400025 1056482162 /nfs/dbraw/zinc/48/21/62/1056482162.db2.gz SMOLABRXNOSZQO-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO N#Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)c(F)c2)ccc1Cl ZINC001240403587 1056484698 /nfs/dbraw/zinc/48/46/98/1056484698.db2.gz PVLGRNOONAGUBU-QGZVFWFLSA-N 1 0 300.764 4.442 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccn1)[C@H](C)c1cc2ccccc2o1 ZINC001615265505 1056484825 /nfs/dbraw/zinc/48/48/25/1056484825.db2.gz STWBIANASZZUOV-CQSZACIVSA-N 1 0 305.381 4.283 20 30 DIEDRO COc1cccc(C[N@H+](CC(C)C)CC2CCC(C#N)CC2)c1 ZINC001615290643 1056486842 /nfs/dbraw/zinc/48/68/42/1056486842.db2.gz KNFWHJQUYQXBRI-UHFFFAOYSA-N 1 0 314.473 4.483 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001615405514 1056504833 /nfs/dbraw/zinc/50/48/33/1056504833.db2.gz FWUUBDHFXQDCEY-IBGZPJMESA-N 1 0 320.436 4.337 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCO[C@H](c2ccc(OC)cc2)C1)C(C)(C)C ZINC001168673160 1056505609 /nfs/dbraw/zinc/50/56/09/1056505609.db2.gz QRWTVYZXPIRWSU-AEFFLSMTSA-N 1 0 303.446 4.202 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC001544857032 1056515021 /nfs/dbraw/zinc/51/50/21/1056515021.db2.gz HIDJFBQUSLWIDH-OKZBNKHCSA-N 1 0 310.526 4.314 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC001544857035 1056515404 /nfs/dbraw/zinc/51/54/04/1056515404.db2.gz HIDJFBQUSLWIDH-RCCFBDPRSA-N 1 0 310.526 4.314 20 30 DIEDRO CCCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001585355011 1056536885 /nfs/dbraw/zinc/53/68/85/1056536885.db2.gz NDBOCLLMIDEZCO-IBGZPJMESA-N 1 0 316.489 4.128 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cccnc2OCC)cc1 ZINC001240497594 1056537375 /nfs/dbraw/zinc/53/73/75/1056537375.db2.gz QBLIVTLBBFBBCI-IBGZPJMESA-N 1 0 308.425 4.470 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCCOC(C)C)cc1 ZINC001168681558 1056545559 /nfs/dbraw/zinc/54/55/59/1056545559.db2.gz JVOAHTQBZHWHQV-IBGZPJMESA-N 1 0 302.462 4.237 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnn(CC3CC3)c2)cc1 ZINC001240516230 1056548910 /nfs/dbraw/zinc/54/89/10/1056548910.db2.gz AFRFVOFFOXWSDM-HXUWFJFHSA-N 1 0 307.441 4.283 20 30 DIEDRO CCCC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC001615739753 1056572477 /nfs/dbraw/zinc/57/24/77/1056572477.db2.gz JZYJCXVGGMMYBF-UHFFFAOYSA-N 1 0 306.837 4.254 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2F)C1(CC)CC ZINC001615998474 1056605822 /nfs/dbraw/zinc/60/58/22/1056605822.db2.gz FZPCEBNTHWDPBE-IRXDYDNUSA-N 1 0 318.436 4.113 20 30 DIEDRO C[C@H](Nc1cccc(F)c1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310171987 1056634229 /nfs/dbraw/zinc/63/42/29/1056634229.db2.gz UGNLMEUEHBUYMZ-RDJZCZTQSA-N 1 0 323.415 4.020 20 30 DIEDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)c1 ZINC001616323630 1056635883 /nfs/dbraw/zinc/63/58/83/1056635883.db2.gz WZECFRCLZULWPL-OAQYLSRUSA-N 1 0 320.436 4.391 20 30 DIEDRO N#Cc1cncc(C[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC001616323195 1056635986 /nfs/dbraw/zinc/63/59/86/1056635986.db2.gz SQECUVTWUJPKIR-XPTLAUCJSA-N 1 0 317.436 4.411 20 30 DIEDRO N#Cc1ccc(C[N@@H+](CCc2cccc(F)c2)C2CC2)c(F)c1 ZINC000112624797 1056641812 /nfs/dbraw/zinc/64/18/12/1056641812.db2.gz AXUIJANLDBEMMA-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO C=CCCCN(C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000076734012 1056650966 /nfs/dbraw/zinc/65/09/66/1056650966.db2.gz MTPFKFDKPTYFNP-UHFFFAOYSA-N 1 0 320.433 4.259 20 30 DIEDRO C[C@H](C#N)OCC[NH2+]C1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001616631086 1056691317 /nfs/dbraw/zinc/69/13/17/1056691317.db2.gz YZSMSCYTFOYJLG-MRXNPFEDSA-N 1 0 314.473 4.272 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCCCO)c1ccc(C(F)(F)F)cc1 ZINC001616669254 1056698301 /nfs/dbraw/zinc/69/83/01/1056698301.db2.gz DIZVVZIFTZSTSL-INIZCTEOSA-N 1 0 315.379 4.465 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001616709192 1056704685 /nfs/dbraw/zinc/70/46/85/1056704685.db2.gz CDUDRCZWFIZYHO-RBUKOAKNSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CCCCC[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001616779450 1056714846 /nfs/dbraw/zinc/71/48/46/1056714846.db2.gz ZYIANNNXBCFOAK-QGZVFWFLSA-N 1 0 316.493 4.388 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC001616874809 1056731644 /nfs/dbraw/zinc/73/16/44/1056731644.db2.gz YFFFDEMFIMJRJK-AEFFLSMTSA-N 1 0 311.425 4.457 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000672617561 1056744006 /nfs/dbraw/zinc/74/40/06/1056744006.db2.gz ZFUQNTKLOOIXAF-LPHOPBHVSA-N 1 0 304.478 4.021 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]CC1CCC(C#N)CC1 ZINC001168700654 1056783065 /nfs/dbraw/zinc/78/30/65/1056783065.db2.gz OPLQDAKRIUVVSX-LEOMRAHMSA-N 1 0 300.446 4.456 20 30 DIEDRO CCCCCCCCCC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC001586779741 1056805063 /nfs/dbraw/zinc/80/50/63/1056805063.db2.gz NNUBEHSVXJJRRW-QGZVFWFLSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCCC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC001586779740 1056805376 /nfs/dbraw/zinc/80/53/76/1056805376.db2.gz NNUBEHSVXJJRRW-KRWDZBQOSA-N 1 0 310.526 4.364 20 30 DIEDRO C=CCCN(C[C@@H]1CCCC[N@H+]1C(C)C)OCc1ccccc1 ZINC001617331528 1056814808 /nfs/dbraw/zinc/81/48/08/1056814808.db2.gz JVCKHJBBMZACCD-FQEVSTJZSA-N 1 0 316.489 4.259 20 30 DIEDRO CCCCCc1ccc(-c2ncc3c(c2C#N)CCC[NH2+]C3)cc1 ZINC001241031677 1056831652 /nfs/dbraw/zinc/83/16/52/1056831652.db2.gz RXSZBLOREFXRAQ-UHFFFAOYSA-N 1 0 319.452 4.389 20 30 DIEDRO CC(C)(C)c1coc(CN[C@@H](CCCC#N)c2ccccc2)n1 ZINC000922145808 1056841660 /nfs/dbraw/zinc/84/16/60/1056841660.db2.gz VYMXHZNWTMVDHU-INIZCTEOSA-N 1 0 311.429 4.497 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2ccnc(Br)c2)CCCC1(C)C ZINC001617604794 1056856043 /nfs/dbraw/zinc/85/60/43/1056856043.db2.gz WVTIZWXREMLUBS-CQSZACIVSA-N 1 0 323.278 4.411 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2ncccc2Br)CCCC1(C)C ZINC001617603724 1056856931 /nfs/dbraw/zinc/85/69/31/1056856931.db2.gz DJPKPYUFDXWDMT-HNNXBMFYSA-N 1 0 323.278 4.411 20 30 DIEDRO CCCCCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC001617742107 1056876289 /nfs/dbraw/zinc/87/62/89/1056876289.db2.gz JFAQPXUFRCNUMI-GOSISDBHSA-N 1 0 324.509 4.434 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CC[C@@H]3CCc4ccccc43)CC2)c1 ZINC001617868348 1056892533 /nfs/dbraw/zinc/89/25/33/1056892533.db2.gz OSZXWPSKOCREFA-SFHVURJKSA-N 1 0 302.421 4.257 20 30 DIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282335358 1056907507 /nfs/dbraw/zinc/90/75/07/1056907507.db2.gz OLOBDCBQZHARDC-ZLPCBKJTSA-N 1 0 322.456 4.161 20 30 DIEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001618084329 1056921665 /nfs/dbraw/zinc/92/16/65/1056921665.db2.gz RRXSDCKAPCGTAW-GDBMZVCRSA-N 1 0 320.274 4.115 20 30 DIEDRO Fc1ccccc1[C@@H]1CCN(CC#Cc2ccccc2Cl)C1 ZINC001618122117 1056925702 /nfs/dbraw/zinc/92/57/02/1056925702.db2.gz HLPVPOGVRVAETF-MRXNPFEDSA-N 1 0 313.803 4.320 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001618195963 1056932285 /nfs/dbraw/zinc/93/22/85/1056932285.db2.gz GUENIHVHWGKFJK-LZJOCLMNSA-N 1 0 307.412 4.444 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001618222874 1056937876 /nfs/dbraw/zinc/93/78/76/1056937876.db2.gz WAABJWZINLHDGH-SJORKVTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001618235913 1056939232 /nfs/dbraw/zinc/93/92/32/1056939232.db2.gz ZDMXYWXJAMSRJI-OAQYLSRUSA-N 1 0 307.437 4.039 20 30 DIEDRO COc1ccc2cc(C[NH2+]Cc3cccc(C#N)c3)ccc2c1 ZINC000011104418 1056941444 /nfs/dbraw/zinc/94/14/44/1056941444.db2.gz GIDMULAYZSEHMM-UHFFFAOYSA-N 1 0 302.377 4.010 20 30 DIEDRO N#Cc1cc(-c2cccc3c2C[N@H+](Cc2ccccc2)C3)ccn1 ZINC001241189596 1056951100 /nfs/dbraw/zinc/95/11/00/1056951100.db2.gz WXUUGSUHLCSOHN-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000922190290 1056961676 /nfs/dbraw/zinc/96/16/76/1056961676.db2.gz IPXVMURYDUJGBT-NRFANRHFSA-N 1 0 315.420 4.214 20 30 DIEDRO N#Cc1cc(C[NH2+]Cc2ccccc2CC(F)(F)F)cs1 ZINC000922298721 1057000943 /nfs/dbraw/zinc/00/09/43/1057000943.db2.gz TXBHNYPZYVVSPJ-UHFFFAOYSA-N 1 0 310.344 4.014 20 30 DIEDRO COCc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000154372875 1057027965 /nfs/dbraw/zinc/02/79/65/1057027965.db2.gz VHNJPVNSDPTPFF-UHFFFAOYSA-N 1 0 308.425 4.115 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000922539734 1057030307 /nfs/dbraw/zinc/03/03/07/1057030307.db2.gz DBKLYNWINIXRBW-CQSZACIVSA-N 1 0 321.380 4.001 20 30 DIEDRO N#Cc1c[nH]c2cc(-c3ccc(C[NH+]4CCCCC4)cc3)cnc12 ZINC001241389737 1057035509 /nfs/dbraw/zinc/03/55/09/1057035509.db2.gz YYLVNVCRSFWSMJ-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)c1 ZINC000093512933 1057038044 /nfs/dbraw/zinc/03/80/44/1057038044.db2.gz DDMQHWCVXHOUBK-GOSISDBHSA-N 1 0 311.454 4.023 20 30 DIEDRO CN(Cc1ccc(C#N)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000154907228 1057040069 /nfs/dbraw/zinc/04/00/69/1057040069.db2.gz MMOKCXZPKNVXCF-UHFFFAOYSA-N 1 0 310.344 4.271 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(C(F)(F)F)cc1 ZINC000673605270 1057044849 /nfs/dbraw/zinc/04/48/49/1057044849.db2.gz DPZMDFVGXBVHKX-MRXNPFEDSA-N 1 0 323.362 4.236 20 30 DIEDRO N#Cc1ccc(-c2cccc3c2C[N@H+](Cc2ccccc2)C3)cn1 ZINC001241428590 1057047695 /nfs/dbraw/zinc/04/76/95/1057047695.db2.gz OJZGCFGVSWXXEA-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO C[C@@H]1Cc2cc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)ccc2O1 ZINC000922702001 1057050501 /nfs/dbraw/zinc/05/05/01/1057050501.db2.gz UDPZXQHUJOUZCI-OAHLLOKOSA-N 1 0 320.436 4.101 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)cc1C#N ZINC000922759403 1057055181 /nfs/dbraw/zinc/05/51/81/1057055181.db2.gz HBUYTQXEKZRMRV-UHFFFAOYSA-N 1 0 318.342 4.261 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)OCCN3)cc1 ZINC001241466747 1057056748 /nfs/dbraw/zinc/05/67/48/1057056748.db2.gz OOYIDNHFIDZPIW-HXUWFJFHSA-N 1 0 320.436 4.481 20 30 DIEDRO Cc1cc(F)cc(C2=CC[N@H+](Cc3ccccc3)CC2)c1C#N ZINC001241504275 1057074818 /nfs/dbraw/zinc/07/48/18/1057074818.db2.gz QTLOIILINDROBM-UHFFFAOYSA-N 1 0 306.384 4.295 20 30 DIEDRO COc1cc(C2=CC[N@H+](Cc3ccccc3)CC2)ccc1CC#N ZINC001241504656 1057075248 /nfs/dbraw/zinc/07/52/48/1057075248.db2.gz XMXYQJKXGXUZPQ-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO N#CCc1ccc(F)c(C2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001241506292 1057077359 /nfs/dbraw/zinc/07/73/59/1057077359.db2.gz AWPRSBDVXKDBOC-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2csc(C#N)c2)C2CCC2)cc1 ZINC000922886697 1057086066 /nfs/dbraw/zinc/08/60/66/1057086066.db2.gz CSCAFNOZBXXBMC-SFHVURJKSA-N 1 0 312.438 4.259 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)nc2OC)cc1 ZINC001241579161 1057095883 /nfs/dbraw/zinc/09/58/83/1057095883.db2.gz LIBANEKKGDGMQY-SFHVURJKSA-N 1 0 324.424 4.089 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)nc2OC)cc1 ZINC001241579160 1057095944 /nfs/dbraw/zinc/09/59/44/1057095944.db2.gz LIBANEKKGDGMQY-GOSISDBHSA-N 1 0 324.424 4.089 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(C#N)c(CC#N)c2)cc1 ZINC001241580951 1057096507 /nfs/dbraw/zinc/09/65/07/1057096507.db2.gz PIVAWTZOFSPKNX-UHFFFAOYSA-N 1 0 303.409 4.133 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000766017399 1057106552 /nfs/dbraw/zinc/10/65/52/1057106552.db2.gz BICLMSPZKNWMJH-RHSMWYFYSA-N 1 0 311.385 4.266 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccncc1 ZINC000766017401 1057106701 /nfs/dbraw/zinc/10/67/01/1057106701.db2.gz BICLMSPZKNWMJH-YOEHRIQHSA-N 1 0 311.385 4.266 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](CC)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000766022999 1057121705 /nfs/dbraw/zinc/12/17/05/1057121705.db2.gz YYHLGRMIVSFLFM-MOPGFXCFSA-N 1 0 308.425 4.375 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1)c1ccncc1 ZINC000766022014 1057122804 /nfs/dbraw/zinc/12/28/04/1057122804.db2.gz VSXUAFQAPIGZCF-QINHECLXSA-N 1 0 310.441 4.489 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cc(F)cc(C#N)c2)nc1 ZINC001241657143 1057124941 /nfs/dbraw/zinc/12/49/41/1057124941.db2.gz AGISFOPZZFPRAE-IBGZPJMESA-N 1 0 309.388 4.306 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000625701906 1057192213 /nfs/dbraw/zinc/19/22/13/1057192213.db2.gz CJBODFGDFYFLDP-GOSISDBHSA-N 1 0 314.473 4.229 20 30 DIEDRO Oc1ccc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)cc1 ZINC000674248822 1057222125 /nfs/dbraw/zinc/22/21/25/1057222125.db2.gz BZVVYBQUKSCTBP-IBGZPJMESA-N 1 0 311.812 4.234 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000658044941 1057241632 /nfs/dbraw/zinc/24/16/32/1057241632.db2.gz CUZOUOXJMWTMAT-NQYYFHDYSA-N 1 0 300.446 4.026 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000658058369 1057246025 /nfs/dbraw/zinc/24/60/25/1057246025.db2.gz BFYPPXUKDJQWOF-VXLLPVPCSA-N 1 0 317.477 4.383 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000658060590 1057247016 /nfs/dbraw/zinc/24/70/16/1057247016.db2.gz OIRDPVKCOYFMGT-OGWOLHLISA-N 1 0 300.446 4.431 20 30 DIEDRO N#Cc1c[nH]c2ccc(-c3cccc(C[NH+]4CCCC4)c3)cc12 ZINC001242118260 1057268044 /nfs/dbraw/zinc/26/80/44/1057268044.db2.gz INUMHPHEDVLJGK-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO C[NH+](C)CCOc1ccc(-c2ccc3cc(C#N)sc3c2)cc1 ZINC001242150488 1057280178 /nfs/dbraw/zinc/28/01/78/1057280178.db2.gz PPYGSTYMLKODQF-UHFFFAOYSA-N 1 0 322.433 4.380 20 30 DIEDRO COc1cccc(-c2cccc(C3CC[NH+](C)CC3)c2)c1C#N ZINC001242300321 1057326215 /nfs/dbraw/zinc/32/62/15/1057326215.db2.gz OFVDWILUGCFNON-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO CC[NH+]1CCC(c2ccc(-c3cnc(C#N)c(C)c3)cc2)CC1 ZINC001242357591 1057343338 /nfs/dbraw/zinc/34/33/38/1057343338.db2.gz DNWNXCVNFNHFNC-UHFFFAOYSA-N 1 0 305.425 4.128 20 30 DIEDRO N#CCCCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000173836359 1057344985 /nfs/dbraw/zinc/34/49/85/1057344985.db2.gz JCBZNEZRBTZDIP-UHFFFAOYSA-N 1 0 306.837 4.445 20 30 DIEDRO Cc1cc([C@@H]([NH2+]CCc2ccc(C#N)cc2)C2CC2)ccc1F ZINC001168757512 1057369630 /nfs/dbraw/zinc/36/96/30/1057369630.db2.gz GLFBGRSVCYMWNO-FQEVSTJZSA-N 1 0 308.400 4.289 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cc(C)cc(C#N)c2)nc1 ZINC001242478648 1057378081 /nfs/dbraw/zinc/37/80/81/1057378081.db2.gz IYLGDFNDCODZEZ-FQEVSTJZSA-N 1 0 305.425 4.476 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cc(C#N)ccc2C)nc1 ZINC001242544401 1057400253 /nfs/dbraw/zinc/40/02/53/1057400253.db2.gz ZAEXNJVNHRZTNM-FQEVSTJZSA-N 1 0 305.425 4.476 20 30 DIEDRO CC[NH+]1CCC(c2ccc(-c3ccc(O)c(C#N)c3)cc2)CC1 ZINC001242565762 1057407114 /nfs/dbraw/zinc/40/71/14/1057407114.db2.gz CCVVMCXYMXVGCK-UHFFFAOYSA-N 1 0 306.409 4.130 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000675781882 1057413533 /nfs/dbraw/zinc/41/35/33/1057413533.db2.gz FSWHKMMCFZBGDL-GOSISDBHSA-N 1 0 317.436 4.295 20 30 DIEDRO C=C(C[NH2+][C@@H](CCOC)Cc1cccc(F)c1)c1ccccc1 ZINC000675783705 1057414105 /nfs/dbraw/zinc/41/41/05/1057414105.db2.gz QZAUUYSTNOJYLD-FQEVSTJZSA-N 1 0 313.416 4.076 20 30 DIEDRO Cc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3C)cn2)c(C#N)c1 ZINC001242591193 1057416992 /nfs/dbraw/zinc/41/69/92/1057416992.db2.gz KBILVQLNCCXGFP-MRXNPFEDSA-N 1 0 305.425 4.303 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000675933340 1057434684 /nfs/dbraw/zinc/43/46/84/1057434684.db2.gz BUPIESGWLJFKMF-CVEARBPZSA-N 1 0 321.424 4.138 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cncc(OCC)c2)cc1 ZINC001242660097 1057438244 /nfs/dbraw/zinc/43/82/44/1057438244.db2.gz GQJVVEDSVHPCAX-HXUWFJFHSA-N 1 0 308.425 4.470 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(CO)ccc2C)cc1 ZINC001242670744 1057441860 /nfs/dbraw/zinc/44/18/60/1057441860.db2.gz RURKGZNCYWBBKA-NRFANRHFSA-N 1 0 307.437 4.477 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000676017382 1057443541 /nfs/dbraw/zinc/44/35/41/1057443541.db2.gz BHHBPYOHZONGOK-ZRCAFCQKSA-N 1 0 324.468 4.425 20 30 DIEDRO N#Cc1cnc(C2=CC[C@@H]([NH+]3CCCC3)CC2)c2ccccc12 ZINC001242687872 1057446852 /nfs/dbraw/zinc/44/68/52/1057446852.db2.gz JCKNPLISXSEUDW-QGZVFWFLSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1ccc(C2=CC[C@H]([NH+]3CCCC3)CC2)nc1C(F)(F)F ZINC001242688245 1057446941 /nfs/dbraw/zinc/44/69/41/1057446941.db2.gz FZFUDLKMOYACKX-AWEZNQCLSA-N 1 0 321.346 4.004 20 30 DIEDRO C[Si](C)(C)C#Cc1cccnc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242689642 1057447827 /nfs/dbraw/zinc/44/78/27/1057447827.db2.gz URBCQQSKGJQHRV-IBGZPJMESA-N 1 0 324.544 4.342 20 30 DIEDRO N#Cc1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)nc2ccccc12 ZINC001242690113 1057447930 /nfs/dbraw/zinc/44/79/30/1057447930.db2.gz RFOMMMZBFFEGSW-KRWDZBQOSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1ccc2c(c1)nccc2C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242697033 1057451224 /nfs/dbraw/zinc/45/12/24/1057451224.db2.gz ZKRAIFFASSPIDG-KRWDZBQOSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1ccc2c(c1)nccc2C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242697034 1057451253 /nfs/dbraw/zinc/45/12/53/1057451253.db2.gz ZKRAIFFASSPIDG-QGZVFWFLSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1ccccc1-c1ccc(-c2c[nH]c([C@@H]3CCC[NH2+]3)n2)cc1 ZINC001242715985 1057457008 /nfs/dbraw/zinc/45/70/08/1057457008.db2.gz JCTPIJFIMBEVEL-SFHVURJKSA-N 1 0 314.392 4.040 20 30 DIEDRO Cc1cc(-c2ccc(C[N@H+]3CCCC[C@H]3C)cn2)ccc1C#N ZINC001242766992 1057468395 /nfs/dbraw/zinc/46/83/95/1057468395.db2.gz ZHMMKHUIGFJIGB-MRXNPFEDSA-N 1 0 305.425 4.303 20 30 DIEDRO Cc1cc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])ccc1C#N ZINC001242770058 1057469522 /nfs/dbraw/zinc/46/95/22/1057469522.db2.gz AHFRLHPFGLOAQZ-SFTDATJTSA-N 1 0 320.436 4.320 20 30 DIEDRO CCc1cccc(C)c1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001242817810 1057490720 /nfs/dbraw/zinc/49/07/20/1057490720.db2.gz FGUXIFZKNIXZEF-UHFFFAOYSA-N 1 0 304.437 4.369 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000676637110 1057491057 /nfs/dbraw/zinc/49/10/57/1057491057.db2.gz FVRDPFORGDLRMJ-NRFANRHFSA-N 1 0 322.452 4.495 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cc(Cl)cc2c1OCC2 ZINC000922987231 1057519804 /nfs/dbraw/zinc/51/98/04/1057519804.db2.gz RCKIUDOQYXWREW-SNVBAGLBSA-N 1 0 318.829 4.059 20 30 DIEDRO CC#Cc1cncc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)c1 ZINC001242942060 1057524906 /nfs/dbraw/zinc/52/49/06/1057524906.db2.gz OKHWMRSQCYFBGJ-UHFFFAOYSA-N 1 0 308.400 4.245 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cccc(CO)c2C)cc1 ZINC001243016833 1057547719 /nfs/dbraw/zinc/54/77/19/1057547719.db2.gz NAMBFVSLMZPKPY-NRFANRHFSA-N 1 0 307.437 4.477 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC2CCC(F)(F)CC2)cc1 ZINC000800293305 1057555376 /nfs/dbraw/zinc/55/53/76/1057555376.db2.gz BHTJYWZBUSZQLE-UHFFFAOYSA-N 1 0 307.384 4.004 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001129292733 1057560758 /nfs/dbraw/zinc/56/07/58/1057560758.db2.gz RIAAMNDPFKZFNW-FQEVSTJZSA-N 1 0 322.537 4.462 20 30 DIEDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000611153438 1057584298 /nfs/dbraw/zinc/58/42/98/1057584298.db2.gz OCDOEZBJXUZIGJ-HXUWFJFHSA-N 1 0 305.425 4.414 20 30 DIEDRO COc1ccc2oc(C[NH2+][C@H](C)c3cccc(C#N)c3)cc2c1 ZINC000611198823 1057585366 /nfs/dbraw/zinc/58/53/66/1057585366.db2.gz YDKHZRZALVFJAC-CYBMUJFWSA-N 1 0 306.365 4.164 20 30 DIEDRO Cc1ccc(C[N@H+](Cc2cccc(OCCCC#N)c2)C2CC2)o1 ZINC000611254291 1057586094 /nfs/dbraw/zinc/58/60/94/1057586094.db2.gz RFGHDNIDHGJUPU-UHFFFAOYSA-N 1 0 324.424 4.435 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000611254280 1057586181 /nfs/dbraw/zinc/58/61/81/1057586181.db2.gz OTXYZQGHJUBHEB-GOSISDBHSA-N 1 0 318.420 4.089 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2nccc3ccccc32)C2CC2)cc1 ZINC000611254277 1057586289 /nfs/dbraw/zinc/58/62/89/1057586289.db2.gz MYTUDINWBQFHEU-UHFFFAOYSA-N 1 0 313.404 4.271 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000611254281 1057586541 /nfs/dbraw/zinc/58/65/41/1057586541.db2.gz OTXYZQGHJUBHEB-SFHVURJKSA-N 1 0 318.420 4.089 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOc2ccccc21 ZINC000611254808 1057587466 /nfs/dbraw/zinc/58/74/66/1057587466.db2.gz UBZXIYCRYCPGPY-LJQANCHMSA-N 1 0 320.436 4.335 20 30 DIEDRO Cc1ccncc1[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611299730 1057590640 /nfs/dbraw/zinc/59/06/40/1057590640.db2.gz DZUFACCUIZLDLY-OCDPCBSRSA-N 1 0 319.452 4.445 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)cc1 ZINC000611371870 1057593150 /nfs/dbraw/zinc/59/31/50/1057593150.db2.gz AFDCICWYUFRBCP-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cccc(C#N)c1 ZINC000611388662 1057594300 /nfs/dbraw/zinc/59/43/00/1057594300.db2.gz RHCQEZIRAMAARL-HNNXBMFYSA-N 1 0 303.409 4.210 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC000611386678 1057594832 /nfs/dbraw/zinc/59/48/32/1057594832.db2.gz RKSLDVNIRFDHEV-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO COc1cc(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccc1C ZINC000611393038 1057595322 /nfs/dbraw/zinc/59/53/22/1057595322.db2.gz DWYFABDZNHRPDJ-FQEVSTJZSA-N 1 0 320.436 4.085 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCNc1ccccc1 ZINC000611392997 1057595650 /nfs/dbraw/zinc/59/56/50/1057595650.db2.gz BYCUKHSNUTVDHJ-HXUWFJFHSA-N 1 0 305.425 4.027 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc(F)cc1F ZINC000611392874 1057595685 /nfs/dbraw/zinc/59/56/85/1057595685.db2.gz RPMJVRKLDMVISJ-IBGZPJMESA-N 1 0 312.363 4.046 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000611393064 1057595725 /nfs/dbraw/zinc/59/57/25/1057595725.db2.gz GVYYIQYHDJRBKD-JLTOFOAXSA-N 1 0 308.425 4.448 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000611394233 1057596170 /nfs/dbraw/zinc/59/61/70/1057596170.db2.gz XIDZLPCDIRDGQJ-RBUKOAKNSA-N 1 0 322.383 4.188 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000611394458 1057596308 /nfs/dbraw/zinc/59/63/08/1057596308.db2.gz KDIWYLBBRHXMLX-ZWKOTPCHSA-N 1 0 324.811 4.312 20 30 DIEDRO CCOc1ccccc1CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394097 1057596339 /nfs/dbraw/zinc/59/63/39/1057596339.db2.gz GPIYMTHOERVJLE-HXUWFJFHSA-N 1 0 320.436 4.167 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1COc2c1cccc2Cl ZINC000611394303 1057596390 /nfs/dbraw/zinc/59/63/90/1057596390.db2.gz BSVCKXIOQPHJSV-MSOLQXFVSA-N 1 0 324.811 4.312 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000611394457 1057596437 /nfs/dbraw/zinc/59/64/37/1057596437.db2.gz KDIWYLBBRHXMLX-ROUUACIJSA-N 1 0 324.811 4.312 20 30 DIEDRO COc1cccc(C[C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394241 1057596447 /nfs/dbraw/zinc/59/64/47/1057596447.db2.gz YEBRDOYENMNXAA-VFNWGFHPSA-N 1 0 320.436 4.165 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000611395138 1057596462 /nfs/dbraw/zinc/59/64/62/1057596462.db2.gz LRBXTTTXGWEODQ-UHOSZYNNSA-N 1 0 312.457 4.119 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H]1CCCCO1 ZINC000611394267 1057596604 /nfs/dbraw/zinc/59/66/04/1057596604.db2.gz AKMIJEYSZNBZEO-RBUKOAKNSA-N 1 0 312.457 4.121 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Oc1cccc(F)c1 ZINC000611393616 1057596797 /nfs/dbraw/zinc/59/67/97/1057596797.db2.gz YFLNGPKHTWQETK-JLTOFOAXSA-N 1 0 324.399 4.132 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000611394755 1057597409 /nfs/dbraw/zinc/59/74/09/1057597409.db2.gz ZXRJTVFYXNBWIN-HKUYNNGSSA-N 1 0 310.441 4.017 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)ccn1 ZINC000611406257 1057598342 /nfs/dbraw/zinc/59/83/42/1057598342.db2.gz DDRRBPARWOQTGK-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1(c2cccc(F)c2)CC1 ZINC000611474625 1057601958 /nfs/dbraw/zinc/60/19/58/1057601958.db2.gz RZDACORFECMFBS-IBGZPJMESA-N 1 0 306.384 4.354 20 30 DIEDRO COc1ccc(C2([NH2+][C@H]3CCCc4cc(C#N)ccc43)CC2)cc1 ZINC000611471708 1057602425 /nfs/dbraw/zinc/60/24/25/1057602425.db2.gz JBAQDAUEQWIOKA-FQEVSTJZSA-N 1 0 318.420 4.223 20 30 DIEDRO CC1(C#N)CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000611553476 1057605688 /nfs/dbraw/zinc/60/56/88/1057605688.db2.gz LGSPKJNATSRIMI-UHFFFAOYSA-N 1 0 310.363 4.264 20 30 DIEDRO CCC[N@@H+]1Cc2cccc(N=Cc3ccc(OCC)cc3O)c2C1 ZINC000727265555 1057645388 /nfs/dbraw/zinc/64/53/88/1057645388.db2.gz TZXMCTVCLHROSX-UHFFFAOYSA-N 1 0 324.424 4.267 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(OC)cc1CC#N ZINC001243337468 1057651267 /nfs/dbraw/zinc/65/12/67/1057651267.db2.gz LZGISKQHZJARAT-UHFFFAOYSA-N 1 0 308.425 4.270 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc2ncnc(C#N)c2c1 ZINC001243337593 1057651469 /nfs/dbraw/zinc/65/14/69/1057651469.db2.gz NCOZAEFBZWQCKK-UHFFFAOYSA-N 1 0 316.408 4.010 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)Cc2ccco2)cc1Cl ZINC000727465979 1057655056 /nfs/dbraw/zinc/65/50/56/1057655056.db2.gz WUFZZBMZUPFCLM-ZDUSSCGKSA-N 1 0 305.805 4.219 20 30 DIEDRO CCCCCCCCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000727735565 1057667303 /nfs/dbraw/zinc/66/73/03/1057667303.db2.gz ZGPJJCLXCZBVCR-SFHVURJKSA-N 1 0 308.510 4.214 20 30 DIEDRO CC[NH+](CC)Cc1ccncc1-c1ccc(C2(C#N)CC2)cc1 ZINC001243423950 1057679629 /nfs/dbraw/zinc/67/96/29/1057679629.db2.gz KZIFRCURONSQAN-UHFFFAOYSA-N 1 0 305.425 4.146 20 30 DIEDRO C[N@@H+]1CC[C@@H](c2ccc(-c3ccc(C4(C#N)CC4)cc3)cc2)C1 ZINC001243424992 1057680392 /nfs/dbraw/zinc/68/03/92/1057680392.db2.gz ZNQKADCGGAMLIE-LJQANCHMSA-N 1 0 302.421 4.328 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc3cccc(OC)c3o2)cc1 ZINC000728063456 1057683965 /nfs/dbraw/zinc/68/39/65/1057683965.db2.gz NRZYKNZMZQCXIG-UHFFFAOYSA-N 1 0 323.392 4.296 20 30 DIEDRO CCOc1c(F)cccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001243536747 1057706705 /nfs/dbraw/zinc/70/67/05/1057706705.db2.gz OGUMUJQSEPZOPQ-UHFFFAOYSA-N 1 0 324.399 4.036 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccccc1OCC#N ZINC001243586695 1057725262 /nfs/dbraw/zinc/72/52/62/1057725262.db2.gz NIKLYYQWDNORFM-UHFFFAOYSA-N 1 0 324.424 4.106 20 30 DIEDRO C[NH+]1CCC(c2cccc(-c3ccccc3OCC#N)c2)CC1 ZINC001243589032 1057725900 /nfs/dbraw/zinc/72/59/00/1057725900.db2.gz OPXKWIPCQVSFEM-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(OCC#N)cc2)c1 ZINC001243591506 1057726812 /nfs/dbraw/zinc/72/68/12/1057726812.db2.gz IEQDRWHJWGLVOW-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OCC#N)cc1 ZINC000731212101 1057738423 /nfs/dbraw/zinc/73/84/23/1057738423.db2.gz SLIQXQICVZCTEX-UHFFFAOYSA-N 1 0 324.424 4.010 20 30 DIEDRO Cc1cc(F)cc(-c2ccc(C3CC[NH+](C)CC3)cc2)c1C#N ZINC001243655095 1057744657 /nfs/dbraw/zinc/74/46/57/1057744657.db2.gz RMMAMJHRXRTLFZ-UHFFFAOYSA-N 1 0 308.400 4.482 20 30 DIEDRO COc1cc(-c2ccc(C3CC[NH+](C)CC3)cc2)ccc1CC#N ZINC001243654158 1057744787 /nfs/dbraw/zinc/74/47/87/1057744787.db2.gz DMPJTHXVTCPRER-UHFFFAOYSA-N 1 0 320.436 4.237 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(C)cc(CO)c2)cc1 ZINC001243704545 1057758021 /nfs/dbraw/zinc/75/80/21/1057758021.db2.gz OAKQESHFNULCNF-OAQYLSRUSA-N 1 0 307.437 4.477 20 30 DIEDRO Oc1ccccc1/C=N\C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000731936953 1057761347 /nfs/dbraw/zinc/76/13/47/1057761347.db2.gz CWUOPZSUOUPLTI-XRBWPDQASA-N 1 0 320.436 4.007 20 30 DIEDRO COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3C)cn2)c(C#N)c1 ZINC001243730191 1057764830 /nfs/dbraw/zinc/76/48/30/1057764830.db2.gz VDVMKQVOBFIURZ-OAHLLOKOSA-N 1 0 321.424 4.003 20 30 DIEDRO C[NH+](C)CCOc1cccc(-c2ccc(C(C)(C)C#N)cc2)c1 ZINC001243747439 1057769500 /nfs/dbraw/zinc/76/95/00/1057769500.db2.gz KAUUZZCEJRDEJQ-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO C=CCc1cc(OC)cc(C[N@@H+](CC)C2CCCCC2)c1O ZINC000732409518 1057775279 /nfs/dbraw/zinc/77/52/79/1057775279.db2.gz RVQAPNFXEYDISY-UHFFFAOYSA-N 1 0 303.446 4.284 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1Cl ZINC000732916358 1057789959 /nfs/dbraw/zinc/78/99/59/1057789959.db2.gz UDJSCDKVBFNOEN-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO Cc1cc(F)cc(C)c1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001243928710 1057809525 /nfs/dbraw/zinc/80/95/25/1057809525.db2.gz HRMZBQZAPWFWAQ-UHFFFAOYSA-N 1 0 308.400 4.254 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000733325045 1057812922 /nfs/dbraw/zinc/81/29/22/1057812922.db2.gz UHRKKSCDASGACC-DNVCBOLYSA-N 1 0 309.409 4.095 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccccc2C)C2CC2)cc1 ZINC000733326596 1057812934 /nfs/dbraw/zinc/81/29/34/1057812934.db2.gz NVSCCGONRXVCAI-NRFANRHFSA-N 1 0 305.421 4.248 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](CC)c2ccccc2OC)cc1 ZINC000733324403 1057813093 /nfs/dbraw/zinc/81/30/93/1057813093.db2.gz WHDLLKFQNIFXDS-HXUWFJFHSA-N 1 0 323.436 4.338 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2)cc1 ZINC000733328439 1057814048 /nfs/dbraw/zinc/81/40/48/1057814048.db2.gz QXGHNQLLUZIYDR-INIZCTEOSA-N 1 0 311.400 4.121 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)cc1 ZINC000733328441 1057814147 /nfs/dbraw/zinc/81/41/47/1057814147.db2.gz QXGHNQLLUZIYDR-MRXNPFEDSA-N 1 0 311.400 4.121 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(O)cc2OC)cc1 ZINC001243985685 1057829768 /nfs/dbraw/zinc/82/97/68/1057829768.db2.gz FDMMJBPGARGUKY-IBGZPJMESA-N 1 0 309.409 4.391 20 30 DIEDRO N#CC1(c2cccc(-c3cnccc3C[NH+]3CCCCC3)c2)CC1 ZINC001244074808 1057859143 /nfs/dbraw/zinc/85/91/43/1057859143.db2.gz IARVGTPLXCDMPM-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO N#CC1(c2cccc(-c3ccc([C@H]4CCC[NH2+]C4)cc3)c2)CC1 ZINC001244076852 1057860494 /nfs/dbraw/zinc/86/04/94/1057860494.db2.gz OWYDKEYELQKOOO-IBGZPJMESA-N 1 0 302.421 4.376 20 30 DIEDRO CC[NH+]1CCC(c2ccc(-c3ccc(C#N)cc3N)cc2)CC1 ZINC001244093785 1057866531 /nfs/dbraw/zinc/86/65/31/1057866531.db2.gz MYFJJNGXDYGSKQ-UHFFFAOYSA-N 1 0 305.425 4.007 20 30 DIEDRO Cc1ccc(C[NH+]2CCCCC2)cc1-c1ccc(C#N)cc1N ZINC001244093911 1057866616 /nfs/dbraw/zinc/86/66/16/1057866616.db2.gz SQAAVKFFPRZNET-UHFFFAOYSA-N 1 0 305.425 4.102 20 30 DIEDRO COc1c(C)cc(C)cc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001244118745 1057874850 /nfs/dbraw/zinc/87/48/50/1057874850.db2.gz KYIIBSAMDZNCNH-UHFFFAOYSA-N 1 0 320.436 4.124 20 30 DIEDRO COc1ccc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)cc1C#N ZINC001244710984 1058033367 /nfs/dbraw/zinc/03/33/67/1058033367.db2.gz RGONDNSJIQXAKL-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO Cc1c(F)ccc(F)c1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001244984347 1058086266 /nfs/dbraw/zinc/08/62/66/1058086266.db2.gz AYDOLMDTNBJBNB-UHFFFAOYSA-N 1 0 312.363 4.085 20 30 DIEDRO N#Cc1cccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1F ZINC001245072703 1058107274 /nfs/dbraw/zinc/10/72/74/1058107274.db2.gz PWMDKTPWUAJDTF-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO Cc1cc(CC#N)ccc1-c1ccc(OCCC[NH+](C)C)cc1 ZINC001245339847 1058147023 /nfs/dbraw/zinc/14/70/23/1058147023.db2.gz SUSFTTOYEFMMED-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO N#Cc1ccc(OC(F)F)cc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245355203 1058151016 /nfs/dbraw/zinc/15/10/16/1058151016.db2.gz KRHCLWIVHAVMPT-KRWDZBQOSA-N 1 0 314.335 4.251 20 30 DIEDRO N#Cc1ccc(OC(F)F)cc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245355204 1058151056 /nfs/dbraw/zinc/15/10/56/1058151056.db2.gz KRHCLWIVHAVMPT-QGZVFWFLSA-N 1 0 314.335 4.251 20 30 DIEDRO C[Si](C)(C)C#Cc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cn1 ZINC001245355038 1058151142 /nfs/dbraw/zinc/15/11/42/1058151142.db2.gz IMXOBRZUNOTITF-FQEVSTJZSA-N 1 0 320.512 4.402 20 30 DIEDRO CCCCCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001545471531 1058203250 /nfs/dbraw/zinc/20/32/50/1058203250.db2.gz HCVCAUPSXQRBEU-IPMKNSEASA-N 1 0 322.537 4.364 20 30 DIEDRO C=CC1(CC(=O)N(CC(C)C)C2CC[NH+](C)CC2)CCCCC1 ZINC001527900279 1058266871 /nfs/dbraw/zinc/26/68/71/1058266871.db2.gz AIDBNJJRIUMWPS-UHFFFAOYSA-N 1 0 320.521 4.092 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001528766867 1058513133 /nfs/dbraw/zinc/51/31/33/1058513133.db2.gz YDHHCSRCCQOWQU-QZTJIDSGSA-N 1 0 310.526 4.314 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)NC(=O)C3)cc1 ZINC001245894224 1058602278 /nfs/dbraw/zinc/60/22/78/1058602278.db2.gz ZMCLQGPWSXFBJN-FQEVSTJZSA-N 1 0 318.420 4.171 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2nc3ccccc3cc2CC#N)cc1 ZINC001245908223 1058611224 /nfs/dbraw/zinc/61/12/24/1058611224.db2.gz ZRNAWRMVARRXLO-UHFFFAOYSA-N 1 0 301.393 4.162 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC001556564365 1058613454 /nfs/dbraw/zinc/61/34/54/1058613454.db2.gz MDERIRZTXWGXQF-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001520579719 1058642500 /nfs/dbraw/zinc/64/25/00/1058642500.db2.gz IEWXJADFLRNLOY-KSZLIROESA-N 1 0 310.526 4.314 20 30 DIEDRO CCCCCCCC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC001529221843 1058646754 /nfs/dbraw/zinc/64/67/54/1058646754.db2.gz QNBCTDSHQROHFV-XLIONFOSSA-N 1 0 318.505 4.463 20 30 DIEDRO CCCCCCCC[C@@H](O)CNc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001245964471 1058648457 /nfs/dbraw/zinc/64/84/57/1058648457.db2.gz ATDHFZFUPFFHFF-UYAOXDASSA-N 1 0 318.505 4.287 20 30 DIEDRO CCCCCCCC[C@@H](O)CNc1cc([C@H]2CCCC[NH2+]2)no1 ZINC001245959655 1058649032 /nfs/dbraw/zinc/64/90/32/1058649032.db2.gz VNSWIMWFXTVZNQ-HZPDHXFCSA-N 1 0 323.481 4.013 20 30 DIEDRO CCCCCCCC[C@H](O)CNc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001245964465 1058649270 /nfs/dbraw/zinc/64/92/70/1058649270.db2.gz ATDHFZFUPFFHFF-ICSRJNTNSA-N 1 0 318.505 4.287 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCNc2ccccc21 ZINC001246006584 1058655138 /nfs/dbraw/zinc/65/51/38/1058655138.db2.gz WXSZEFZRSNBKFI-LPHOPBHVSA-N 1 0 302.462 4.020 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246135103 1058693289 /nfs/dbraw/zinc/69/32/89/1058693289.db2.gz QPQAHCFTLOPJIJ-MVCQKVDPSA-N 1 0 310.526 4.015 20 30 DIEDRO CCCCCCCCC[N@@H+]1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001278436609 1058746486 /nfs/dbraw/zinc/74/64/86/1058746486.db2.gz NDQJFIJFMGDQJJ-PMACEKPBSA-N 1 0 322.537 4.065 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001557975392 1058824819 /nfs/dbraw/zinc/82/48/19/1058824819.db2.gz CGHMPHATPLZFBL-ZSBDSZQGSA-N 1 0 320.521 4.236 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246319295 1058829493 /nfs/dbraw/zinc/82/94/93/1058829493.db2.gz VRLKVMRVFAHMAB-BXWFABGCSA-N 1 0 316.489 4.069 20 30 DIEDRO C=CCC[C@@H](C(=O)Nc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC001558590753 1058885649 /nfs/dbraw/zinc/88/56/49/1058885649.db2.gz ZSDGTYXHJOKKKW-GOSISDBHSA-N 1 0 305.381 4.023 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2 ZINC001246393356 1058896983 /nfs/dbraw/zinc/89/69/83/1058896983.db2.gz YHHDNPBQBCSXLR-OKYOBFRVSA-N 1 0 310.526 4.015 20 30 DIEDRO C=C(CC(C)C)C(=O)N[C@H](CC[NH+](CC)CC)c1ccccc1 ZINC001558810544 1058913511 /nfs/dbraw/zinc/91/35/11/1058913511.db2.gz MBDXTYVRLQDESN-LJQANCHMSA-N 1 0 316.489 4.178 20 30 DIEDRO Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CCCCCCS)CCN1 ZINC001246461480 1058951060 /nfs/dbraw/zinc/95/10/60/1058951060.db2.gz BQWFTUNDGOTXFY-AEFFLSMTSA-N 1 0 324.509 4.007 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CNc1cc(C)sc1[N+](=O)[O-])C(C)C ZINC001559064423 1058960822 /nfs/dbraw/zinc/96/08/22/1058960822.db2.gz NMINORLFHCVLLR-HNNXBMFYSA-N 1 0 323.462 4.075 20 30 DIEDRO CCCCCCC[C@H](C)N[C@@H]([C@H]1CCC[NH2+]C1)C(F)(F)F ZINC001246484973 1058963190 /nfs/dbraw/zinc/96/31/90/1058963190.db2.gz GBZHNSKOFAGRPM-KKUMJFAQSA-N 1 0 308.432 4.256 20 30 DIEDRO Cc1cc(F)c(C#N)c(Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1 ZINC001559153552 1059040592 /nfs/dbraw/zinc/04/05/92/1059040592.db2.gz ATEVHYFSBUQOJK-UHFFFAOYSA-N 1 0 323.415 4.386 20 30 DIEDRO CCCCCCC[N@H+](C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246781115 1059077598 /nfs/dbraw/zinc/07/75/98/1059077598.db2.gz XJUQOHBIARQTQZ-WOJBJXKFSA-N 1 0 302.506 4.252 20 30 DIEDRO C=CCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246839910 1059116997 /nfs/dbraw/zinc/11/69/97/1059116997.db2.gz LFYRYBHCYIMICS-FCHUYYIVSA-N 1 0 320.480 4.038 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246838025 1059119035 /nfs/dbraw/zinc/11/90/35/1059119035.db2.gz ACJBVCNSQCKJSL-LEWJYISDSA-N 1 0 306.453 4.168 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246868652 1059140663 /nfs/dbraw/zinc/14/06/63/1059140663.db2.gz CONIMIAPBPWGMV-PKOBYXMFSA-N 1 0 304.453 4.215 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246868650 1059141381 /nfs/dbraw/zinc/14/13/81/1059141381.db2.gz CONIMIAPBPWGMV-IEBWSBKVSA-N 1 0 304.453 4.215 20 30 DIEDRO N#Cc1ccc(SCc2cccc(C[NH+]3CCCCC3)c2)nc1 ZINC001559358536 1059182882 /nfs/dbraw/zinc/18/28/82/1059182882.db2.gz PCMBCDUTURTALV-UHFFFAOYSA-N 1 0 323.465 4.231 20 30 DIEDRO CCCCCCC[C@H](C)N(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950084 1059194787 /nfs/dbraw/zinc/19/47/87/1059194787.db2.gz SOJMFMXOCBMFSI-AZUAARDMSA-N 1 0 317.521 4.385 20 30 DIEDRO COc1ccc(C[N@H+](C)CCC2(C#N)CCCCC2)cc1F ZINC001559481484 1059256299 /nfs/dbraw/zinc/25/62/99/1059256299.db2.gz SZIHRRKEVSDTMC-UHFFFAOYSA-N 1 0 304.409 4.130 20 30 DIEDRO C=CC[NH2+]Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC001247044353 1059266528 /nfs/dbraw/zinc/26/65/28/1059266528.db2.gz SYBFUAGSBOYUEG-UHFFFAOYSA-N 1 0 311.816 4.014 20 30 DIEDRO CC[N@H+](C[C@H]1CCC2(CCC2)CO1)[C@@H](C)c1ccc(C#N)cc1 ZINC001559494289 1059275915 /nfs/dbraw/zinc/27/59/15/1059275915.db2.gz BCZQTHUCTSACPV-QFBILLFUSA-N 1 0 312.457 4.290 20 30 DIEDRO C=CCCCC(=O)N(CC[NH+](CC)CC)c1ccc(Cl)cc1 ZINC001531364559 1059287449 /nfs/dbraw/zinc/28/74/49/1059287449.db2.gz PIOKVAXQRNVKML-UHFFFAOYSA-N 1 0 322.880 4.371 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@]1(C)CC1(Cl)Cl ZINC001559506918 1059296982 /nfs/dbraw/zinc/29/69/82/1059296982.db2.gz HQMSOUOUYYWZEB-HNNXBMFYSA-N 1 0 311.256 4.353 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Br)ccc1F)CC1CCC1 ZINC001559518318 1059316750 /nfs/dbraw/zinc/31/67/50/1059316750.db2.gz QJOIBXZJDUAJRN-UHFFFAOYSA-N 1 0 312.226 4.376 20 30 DIEDRO C=CC1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001559541611 1059342084 /nfs/dbraw/zinc/34/20/84/1059342084.db2.gz AVHXXCTZGABKHN-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2C)cc1C#N ZINC001559548093 1059353701 /nfs/dbraw/zinc/35/37/01/1059353701.db2.gz KPRXGBAVPFQCEN-NRFANRHFSA-N 1 0 304.437 4.382 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC001559555140 1059368343 /nfs/dbraw/zinc/36/83/43/1059368343.db2.gz SEGAOAUMEHTMHC-XLIONFOSSA-N 1 0 304.437 4.439 20 30 DIEDRO Clc1cccc(C#CC[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001559560974 1059381377 /nfs/dbraw/zinc/38/13/77/1059381377.db2.gz WNTVGZJXOMMRKU-LJQANCHMSA-N 1 0 309.840 4.256 20 30 DIEDRO CCC[N@H+](CC1(C#N)CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001559574400 1059405572 /nfs/dbraw/zinc/40/55/72/1059405572.db2.gz YOUZLYMECGBEQG-SJORKVTESA-N 1 0 304.478 4.130 20 30 DIEDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001559586578 1059418825 /nfs/dbraw/zinc/41/88/25/1059418825.db2.gz HQIUJOQISZAEKA-DYESRHJHSA-N 1 0 320.436 4.205 20 30 DIEDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001559586579 1059418997 /nfs/dbraw/zinc/41/89/97/1059418997.db2.gz HQIUJOQISZAEKA-LAUBAEHRSA-N 1 0 320.436 4.205 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CCSC2(CCCCC2)C1 ZINC001559588849 1059423018 /nfs/dbraw/zinc/42/30/18/1059423018.db2.gz KOCABEQYDRPBCV-UHFFFAOYSA-N 1 0 320.889 4.463 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCOC3(C2)CCCCCC3)CCC1 ZINC001559596528 1059431554 /nfs/dbraw/zinc/43/15/54/1059431554.db2.gz VMGRVPJENPTVDE-UHFFFAOYSA-N 1 0 304.478 4.276 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCCCC2(C#N)CCC2)C12CCC2 ZINC001559597195 1059431701 /nfs/dbraw/zinc/43/17/01/1059431701.db2.gz CNWICDQUTYWXCP-IAGOWNOFSA-N 1 0 304.478 4.130 20 30 DIEDRO C=CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001559614907 1059445872 /nfs/dbraw/zinc/44/58/72/1059445872.db2.gz HZCMHHAOAVMVMU-UHFFFAOYSA-N 1 0 322.493 4.208 20 30 DIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1(CC)CC ZINC001559619044 1059448802 /nfs/dbraw/zinc/44/88/02/1059448802.db2.gz SRQYNLFHIXRYRI-ZWKOTPCHSA-N 1 0 318.436 4.113 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559626468 1059455876 /nfs/dbraw/zinc/45/58/76/1059455876.db2.gz UGHJVMYKCHZTIG-SJORKVTESA-N 1 0 324.509 4.358 20 30 DIEDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC001559658183 1059487839 /nfs/dbraw/zinc/48/78/39/1059487839.db2.gz CGHMOYVAINMQGV-HUUCEWRRSA-N 1 0 308.400 4.400 20 30 DIEDRO CCCCCCCc1ccc(-c2noc(C3(C[NH3+])CC3)n2)cc1 ZINC001247457648 1059492572 /nfs/dbraw/zinc/49/25/72/1059492572.db2.gz VTVXSKWXXWVJKP-UHFFFAOYSA-N 1 0 313.445 4.240 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)c(SC(F)(F)F)c1)C1CC1 ZINC001559676711 1059500531 /nfs/dbraw/zinc/50/05/31/1059500531.db2.gz PBACRJKSVBNPJZ-UHFFFAOYSA-N 1 0 317.376 4.458 20 30 DIEDRO CC#CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@@H]1C ZINC001559687966 1059516040 /nfs/dbraw/zinc/51/60/40/1059516040.db2.gz CHQLQWMUKVCLDG-WMZOPIPTSA-N 1 0 315.457 4.108 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CCc2ccc(C#N)cc2)C(C)C)cc1 ZINC001559708320 1059536250 /nfs/dbraw/zinc/53/62/50/1059536250.db2.gz PSFYNUNMWQXWJH-FQEVSTJZSA-N 1 0 308.425 4.096 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccccc1Oc1ccccc1 ZINC001559710372 1059538814 /nfs/dbraw/zinc/53/88/14/1059538814.db2.gz HKCHGTGNRNKCEY-SJORKVTESA-N 1 0 311.425 4.457 20 30 DIEDRO CC[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc(C)c(F)c1 ZINC001559709200 1059539539 /nfs/dbraw/zinc/53/95/39/1059539539.db2.gz VAPZIMGHXOGMLI-SFHVURJKSA-N 1 0 312.388 4.126 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccccc3CF)CC2)cc1 ZINC001559714605 1059540546 /nfs/dbraw/zinc/54/05/46/1059540546.db2.gz BWVTWJNCDKLDML-UHFFFAOYSA-N 1 0 306.384 4.317 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC001559735213 1059567606 /nfs/dbraw/zinc/56/76/06/1059567606.db2.gz HQRWMODUSFEJDB-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCc1ccc(C#N)cc1)[C@H]2C ZINC001559739325 1059570935 /nfs/dbraw/zinc/57/09/35/1059570935.db2.gz OAIPLZVEOVWJEN-HOTGVXAUSA-N 1 0 320.436 4.117 20 30 DIEDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001559773184 1059609281 /nfs/dbraw/zinc/60/92/81/1059609281.db2.gz LDWLIUOQUWYXNU-PKOBYXMFSA-N 1 0 300.446 4.276 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)C1(CC)CC ZINC001559775701 1059612657 /nfs/dbraw/zinc/61/26/57/1059612657.db2.gz MLLNPTAWFZDSJX-SJORKVTESA-N 1 0 320.864 4.285 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)C1(CC)CC ZINC001559775698 1059612755 /nfs/dbraw/zinc/61/27/55/1059612755.db2.gz MLLNPTAWFZDSJX-IAGOWNOFSA-N 1 0 320.864 4.285 20 30 DIEDRO C=C(Br)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001559783145 1059619414 /nfs/dbraw/zinc/61/94/14/1059619414.db2.gz IGWMZLKPUSSJSH-MUJYYYPQSA-N 1 0 306.247 4.306 20 30 DIEDRO C=CC[C@H]1[N@@H+](CC(=O)NCCC2CCCCC2)CCCC1(C)C ZINC001559797021 1059632208 /nfs/dbraw/zinc/63/22/08/1059632208.db2.gz DMBVBMHOAKPNFI-GOSISDBHSA-N 1 0 320.521 4.140 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@@H](O)c2ccc(F)cc2C)CCCC1(C)C ZINC001559797257 1059632604 /nfs/dbraw/zinc/63/26/04/1059632604.db2.gz LNJLSVTZRWJGNB-MSOLQXFVSA-N 1 0 305.437 4.234 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@H](O)c2ccc(F)cc2C)CCCC1(C)C ZINC001559797259 1059633220 /nfs/dbraw/zinc/63/32/20/1059633220.db2.gz LNJLSVTZRWJGNB-ROUUACIJSA-N 1 0 305.437 4.234 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001559830983 1059663953 /nfs/dbraw/zinc/66/39/53/1059663953.db2.gz TXACMOYKUPKITC-LRDDRELGSA-N 1 0 311.347 4.428 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC12CCC(CC1)C2 ZINC001559830788 1059665027 /nfs/dbraw/zinc/66/50/27/1059665027.db2.gz QEXMRPMOOBQXPX-UHFFFAOYSA-N 1 0 301.478 4.422 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC001559842885 1059671577 /nfs/dbraw/zinc/67/15/77/1059671577.db2.gz HVNGWYZWMZNJRN-CVEARBPZSA-N 1 0 314.256 4.249 20 30 DIEDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001559906699 1059718998 /nfs/dbraw/zinc/71/89/98/1059718998.db2.gz XLQVBQGMAWOFEM-FQEVSTJZSA-N 1 0 320.436 4.226 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccn1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001559911570 1059727764 /nfs/dbraw/zinc/72/77/64/1059727764.db2.gz MOOSGWYLLNUEMA-VQTJNVASSA-N 1 0 305.425 4.111 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CC1(C)C ZINC001559921931 1059735547 /nfs/dbraw/zinc/73/55/47/1059735547.db2.gz VKNBXNTYWKJGNW-KBPBESRZSA-N 1 0 308.372 4.074 20 30 DIEDRO C=CCCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC001559926260 1059739003 /nfs/dbraw/zinc/73/90/03/1059739003.db2.gz MQJAKGYKBWNLMV-ZACQAIPSSA-N 1 0 324.509 4.214 20 30 DIEDRO C=CCCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C ZINC001559926259 1059741249 /nfs/dbraw/zinc/74/12/49/1059741249.db2.gz MQJAKGYKBWNLMV-ULQDDVLXSA-N 1 0 324.509 4.214 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CC2CCCC2)c([N+](=O)[O-])c1 ZINC001559952164 1059762281 /nfs/dbraw/zinc/76/22/81/1059762281.db2.gz BPJAYGSSTSJICD-KRWDZBQOSA-N 1 0 313.401 4.011 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC001559983069 1059790882 /nfs/dbraw/zinc/79/08/82/1059790882.db2.gz FSPHQXZQRODUCL-MRXNPFEDSA-N 1 0 314.473 4.211 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C)c(F)c1 ZINC001559993565 1059800618 /nfs/dbraw/zinc/80/06/18/1059800618.db2.gz ZZWPHGMGDSFZQQ-QAPCUYQASA-N 1 0 318.436 4.187 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001559993703 1059803803 /nfs/dbraw/zinc/80/38/03/1059803803.db2.gz FRYMYQBQMMFJRY-WMLDXEAASA-N 1 0 321.848 4.351 20 30 DIEDRO C=CC[N@@H+](C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001560004880 1059813877 /nfs/dbraw/zinc/81/38/77/1059813877.db2.gz BKBHBNSNISZNQG-MRXNPFEDSA-N 1 0 324.509 4.310 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)ccc1Br ZINC001560017943 1059828825 /nfs/dbraw/zinc/82/88/25/1059828825.db2.gz ZHJSHRHDJGLBJD-OKILXGFUSA-N 1 0 322.246 4.141 20 30 DIEDRO CCc1cccc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)c1 ZINC001560036255 1059850642 /nfs/dbraw/zinc/85/06/42/1059850642.db2.gz XBVZNVWCZMRZGW-UHFFFAOYSA-N 1 0 319.452 4.197 20 30 DIEDRO Cc1cc(C)c(C[N@@H+]2CCc3c(CC#N)cccc3C2)c(C)c1 ZINC001560042146 1059857372 /nfs/dbraw/zinc/85/73/72/1059857372.db2.gz HLCCLMRKGCPXID-UHFFFAOYSA-N 1 0 304.437 4.236 20 30 DIEDRO N#CC1(CC[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CCCCC1 ZINC001560054592 1059865300 /nfs/dbraw/zinc/86/53/00/1059865300.db2.gz DPXIJEBBYNWMER-MOPGFXCFSA-N 1 0 312.457 4.049 20 30 DIEDRO N#CC1(CC[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)CCCCC1 ZINC001560054594 1059867673 /nfs/dbraw/zinc/86/76/73/1059867673.db2.gz DPXIJEBBYNWMER-RBUKOAKNSA-N 1 0 312.457 4.049 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001560061234 1059874266 /nfs/dbraw/zinc/87/42/66/1059874266.db2.gz HTQWWYPFQAUXIP-UHFFFAOYSA-N 1 0 310.363 4.393 20 30 DIEDRO C[N@H+](Cc1ccccc1OCc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC001560064010 1059876496 /nfs/dbraw/zinc/87/64/96/1059876496.db2.gz RCSPJDQGQOVWJS-ICSRJNTNSA-N 1 0 320.436 4.390 20 30 DIEDRO C=CCC1([NH2+]Cc2cccc3c2OC(F)(F)O3)CCCCC1 ZINC001560070683 1059881619 /nfs/dbraw/zinc/88/16/19/1059881619.db2.gz IXGSUKPOQSABEU-UHFFFAOYSA-N 1 0 309.356 4.377 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2cc(Cl)ccc2C)CCCCC1 ZINC001560070543 1059882002 /nfs/dbraw/zinc/88/20/02/1059882002.db2.gz CTCMJLGXUTWNKE-UHFFFAOYSA-N 1 0 320.864 4.456 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CCC1 ZINC001560074712 1059887528 /nfs/dbraw/zinc/88/75/28/1059887528.db2.gz CAZAGZFKTKACHX-GOSISDBHSA-N 1 0 316.420 4.143 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC001560084623 1059900775 /nfs/dbraw/zinc/90/07/75/1059900775.db2.gz WXWOVWQVYWAVOK-UHFFFAOYSA-N 1 0 318.342 4.252 20 30 DIEDRO CCCC1(CCC)CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001560119649 1059927028 /nfs/dbraw/zinc/92/70/28/1059927028.db2.gz MLHPJVVYKNAKIU-UHFFFAOYSA-N 1 0 300.446 4.372 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(OC(C)C)cc(OC(C)C)c2)C1 ZINC001248660382 1059928077 /nfs/dbraw/zinc/92/80/77/1059928077.db2.gz RPGLOJIATRNIAI-QGZVFWFLSA-N 1 0 315.457 4.106 20 30 DIEDRO C=CC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC001525552517 1059934170 /nfs/dbraw/zinc/93/41/70/1059934170.db2.gz ITQZZTYTXMDZMA-INIZCTEOSA-N 1 0 322.880 4.051 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001248751493 1059963004 /nfs/dbraw/zinc/96/30/04/1059963004.db2.gz YDIYSRGYUGGFFN-GOSISDBHSA-N 1 0 308.400 4.249 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001248751696 1059965520 /nfs/dbraw/zinc/96/55/20/1059965520.db2.gz GUAFGKJUGNXPGW-HXUWFJFHSA-N 1 0 322.477 4.411 20 30 DIEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001248752624 1059970372 /nfs/dbraw/zinc/97/03/72/1059970372.db2.gz TXWGGJVIWRKEDQ-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001560200061 1059980476 /nfs/dbraw/zinc/98/04/76/1059980476.db2.gz LFHCGRYOAPJNKY-JKSUJKDBSA-N 1 0 313.363 4.169 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001560200060 1059981558 /nfs/dbraw/zinc/98/15/58/1059981558.db2.gz LFHCGRYOAPJNKY-HZPDHXFCSA-N 1 0 313.363 4.169 20 30 DIEDRO C=CC[C@H]1CC[N@H+]1CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001560206261 1059983935 /nfs/dbraw/zinc/98/39/35/1059983935.db2.gz UJRDPUVKVZURGZ-KRWDZBQOSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)N(CC)CC)C1 ZINC001560248733 1060013339 /nfs/dbraw/zinc/01/33/39/1060013339.db2.gz FWWZQQOJEVMXCY-RLLQIKCJSA-N 1 0 300.490 4.404 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2ccccc2F)cc1Cl ZINC001560249866 1060017040 /nfs/dbraw/zinc/01/70/40/1060017040.db2.gz NDBNAMDYQOUUMP-UHFFFAOYSA-N 1 0 319.807 4.376 20 30 DIEDRO C=CC[N@H+](Cc1nc2cccc(Br)c2o1)C(C)(C)C ZINC001248852085 1060019553 /nfs/dbraw/zinc/01/95/53/1060019553.db2.gz NZHBYLZWMAMWIE-UHFFFAOYSA-N 1 0 323.234 4.377 20 30 DIEDRO C=CCCC(C)(C)NC(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC001533811358 1060028733 /nfs/dbraw/zinc/02/87/33/1060028733.db2.gz TZOKZYZQMSSBKA-UHFFFAOYSA-N 1 0 316.489 4.393 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1cnc2ccccc2c1)C(C)C ZINC001560261696 1060031451 /nfs/dbraw/zinc/03/14/51/1060031451.db2.gz DLUIMAWLGPOJGL-OAQYLSRUSA-N 1 0 323.484 4.023 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccsc2)N(CC)CC)C1 ZINC001560265659 1060036123 /nfs/dbraw/zinc/03/61/23/1060036123.db2.gz ZXIYVSVCJHRQDB-NJAFHUGGSA-N 1 0 306.519 4.465 20 30 DIEDRO N#Cc1cc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)cs1 ZINC001560268829 1060042453 /nfs/dbraw/zinc/04/24/53/1060042453.db2.gz CZZNCEXTFOYWNT-UHFFFAOYSA-N 1 0 314.429 4.360 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+]C2CCOCC2)cc1 ZINC001560274478 1060051328 /nfs/dbraw/zinc/05/13/28/1060051328.db2.gz IAXSMNWRZGNQKS-UHFFFAOYSA-N 1 0 305.462 4.304 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC001525866757 1060059477 /nfs/dbraw/zinc/05/94/77/1060059477.db2.gz SOMHEBARUDJGGB-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCc3cc(C)ccc32)cc(OC)c1O ZINC001560310171 1060098215 /nfs/dbraw/zinc/09/82/15/1060098215.db2.gz NDZCCXIJAWKCCC-IBGZPJMESA-N 1 0 323.436 4.215 20 30 DIEDRO C=C(C[NH2+]Cc1cc(C)c(C2OCCO2)cc1C)c1ccccc1 ZINC001560314657 1060101416 /nfs/dbraw/zinc/10/14/16/1060101416.db2.gz JMZVVIRFBHPVOI-UHFFFAOYSA-N 1 0 323.436 4.152 20 30 DIEDRO CCCCCCCCNC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001534003828 1060102618 /nfs/dbraw/zinc/10/26/18/1060102618.db2.gz BLUXIDRMITXVDA-UHFFFAOYSA-N 1 0 320.477 4.356 20 30 DIEDRO C=C(C[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C)c1ccccc1 ZINC001560314881 1060102817 /nfs/dbraw/zinc/10/28/17/1060102817.db2.gz PNGNUZIKYPBDDP-UHFFFAOYSA-N 1 0 317.436 4.292 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]c2cc(C(=O)OCC)ccc12)C(C)(C)C ZINC001249164991 1060175293 /nfs/dbraw/zinc/17/52/93/1060175293.db2.gz PGJJTICQELTNKM-UHFFFAOYSA-N 1 0 314.429 4.131 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001560418062 1060202041 /nfs/dbraw/zinc/20/20/41/1060202041.db2.gz SLDPQKBYGWUWBX-DOMZBBRYSA-N 1 0 308.809 4.125 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](C(CC)CC)C2)c1 ZINC001560420592 1060204647 /nfs/dbraw/zinc/20/46/47/1060204647.db2.gz JCPCIAOGGMWAHO-QUCCMNQESA-N 1 0 317.473 4.325 20 30 DIEDRO C=CCSCC[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC001560435599 1060223330 /nfs/dbraw/zinc/22/33/30/1060223330.db2.gz UZKKEJPGBCLECN-UHFFFAOYSA-N 1 0 320.683 4.111 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC001560440351 1060227951 /nfs/dbraw/zinc/22/79/51/1060227951.db2.gz RLXBLFFOSUAIED-LJQANCHMSA-N 1 0 315.457 4.223 20 30 DIEDRO C=CC[N@@H+](Cc1cnc(C)nc1C(F)(F)F)C1CCCCC1 ZINC001249401115 1060237428 /nfs/dbraw/zinc/23/74/28/1060237428.db2.gz YVBKGOAOZWQDHG-UHFFFAOYSA-N 1 0 313.367 4.125 20 30 DIEDRO C=CCCCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001560448775 1060238685 /nfs/dbraw/zinc/23/86/85/1060238685.db2.gz ORHOPRSVRSVTNG-UHFFFAOYSA-N 1 0 323.362 4.337 20 30 DIEDRO C=C[C@H](COC)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001560448161 1060239554 /nfs/dbraw/zinc/23/95/54/1060239554.db2.gz UIKQIRIYIZTZBK-CQSZACIVSA-N 1 0 307.846 4.359 20 30 DIEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001560448160 1060239769 /nfs/dbraw/zinc/23/97/69/1060239769.db2.gz UIKQIRIYIZTZBK-AWEZNQCLSA-N 1 0 307.846 4.359 20 30 DIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC001560448608 1060240465 /nfs/dbraw/zinc/24/04/65/1060240465.db2.gz JTQWUOSCVNXYMN-UHFFFAOYSA-N 1 0 316.807 4.418 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CCC[C@H]3c3cccs3)[nH]c2c1 ZINC001249429063 1060245310 /nfs/dbraw/zinc/24/53/10/1060245310.db2.gz MBWUJEZFFQHPBP-KRWDZBQOSA-N 1 0 307.422 4.438 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)[nH]c2c1 ZINC001249426522 1060246380 /nfs/dbraw/zinc/24/63/80/1060246380.db2.gz VUHJIEPTVLCCFB-GOSISDBHSA-N 1 0 301.393 4.029 20 30 DIEDRO C=CC(C)(C)CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001526549826 1060254537 /nfs/dbraw/zinc/25/45/37/1060254537.db2.gz ZZYPXULDKKKHKH-INIZCTEOSA-N 1 0 314.473 4.459 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC001560469250 1060257343 /nfs/dbraw/zinc/25/73/43/1060257343.db2.gz BQFINDLQCKIXJZ-HZPDHXFCSA-N 1 0 302.437 4.260 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1 ZINC001560477591 1060266031 /nfs/dbraw/zinc/26/60/31/1060266031.db2.gz QSZHGXUKBWPGRO-UHFFFAOYSA-N 1 0 320.219 4.295 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CC2(C3CCC3)CCC2)cc1 ZINC001560495254 1060290905 /nfs/dbraw/zinc/29/09/05/1060290905.db2.gz OPLRTWQPLAPCSK-UHFFFAOYSA-N 1 0 311.473 4.096 20 30 DIEDRO C=CCc1cc(C[NH2+]CC(C)(C)C2=CCCC2)cc(OC)c1O ZINC001560495330 1060291814 /nfs/dbraw/zinc/29/18/14/1060291814.db2.gz QYUCCHCYHXXKEP-UHFFFAOYSA-N 1 0 315.457 4.355 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC001560500130 1060292485 /nfs/dbraw/zinc/29/24/85/1060292485.db2.gz DHQSFBBZQWYERY-UHFFFAOYSA-N 1 0 306.837 4.158 20 30 DIEDRO C=C(CC)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001560503929 1060299018 /nfs/dbraw/zinc/29/90/18/1060299018.db2.gz ZMYHQUOWABPBPD-UHFFFAOYSA-N 1 0 306.409 4.193 20 30 DIEDRO CCCCCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC001560512215 1060308920 /nfs/dbraw/zinc/30/89/20/1060308920.db2.gz LVFCXLZRWKPYDO-ZWKOTPCHSA-N 1 0 300.446 4.428 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C2CCC2)C2CCCCC2)ccc1C#N ZINC001560513703 1060313140 /nfs/dbraw/zinc/31/31/40/1060313140.db2.gz CVNJSLHMTMGXKI-HXUWFJFHSA-N 1 0 312.457 4.405 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C2(c3ccccc3F)CCC2)cc1 ZINC001560515925 1060314641 /nfs/dbraw/zinc/31/46/41/1060314641.db2.gz NXGVOPRXDSNBHN-UHFFFAOYSA-N 1 0 309.384 4.007 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC001560538949 1060342520 /nfs/dbraw/zinc/34/25/20/1060342520.db2.gz JWHZEAAMFWTVHO-INIZCTEOSA-N 1 0 323.436 4.427 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1F ZINC001249687324 1060348098 /nfs/dbraw/zinc/34/80/98/1060348098.db2.gz AOLQORUQWGLHAK-QGZVFWFLSA-N 1 0 308.400 4.467 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@H]2CCCS2)cc1Cl ZINC001560548024 1060358014 /nfs/dbraw/zinc/35/80/14/1060358014.db2.gz YXWUOMVARJUMQC-CQSZACIVSA-N 1 0 311.878 4.280 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@@H]2CCCS2)cc1Cl ZINC001560548023 1060358072 /nfs/dbraw/zinc/35/80/72/1060358072.db2.gz YXWUOMVARJUMQC-AWEZNQCLSA-N 1 0 311.878 4.280 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001560569823 1060380227 /nfs/dbraw/zinc/38/02/27/1060380227.db2.gz KEMMDIAXEXIPPD-KRWDZBQOSA-N 1 0 315.388 4.035 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC001560577691 1060390011 /nfs/dbraw/zinc/39/00/11/1060390011.db2.gz LISSNFPSXGMPQY-JOCQHMNTSA-N 1 0 302.468 4.153 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC001560577600 1060390220 /nfs/dbraw/zinc/39/02/20/1060390220.db2.gz IYMXPEYXTYBUQD-SAABIXHNSA-N 1 0 324.493 4.210 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1c(F)cncc1Br ZINC001560578767 1060390914 /nfs/dbraw/zinc/39/09/14/1060390914.db2.gz HWGWLMCIVCDWMR-UHFFFAOYSA-N 1 0 315.230 4.065 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC001560578810 1060394906 /nfs/dbraw/zinc/39/49/06/1060394906.db2.gz JURRRNPJOLABFZ-UHFFFAOYSA-N 1 0 301.409 4.298 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC=CCCC2)cc1 ZINC001560615333 1060429528 /nfs/dbraw/zinc/42/95/28/1060429528.db2.gz NBOVJRSAWSPCLT-SFHVURJKSA-N 1 0 311.473 4.263 20 30 DIEDRO CCCCCCCC(=O)N1c2ccccc2CC[C@H]1C[NH+](C)C ZINC001527132889 1060444961 /nfs/dbraw/zinc/44/49/61/1060444961.db2.gz BQTBABIQFXYKLW-SFHVURJKSA-N 1 0 316.489 4.257 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCc2ccccc21 ZINC001560646795 1060470561 /nfs/dbraw/zinc/47/05/61/1060470561.db2.gz JCLDYSOMYJOKST-FCEUIQTBSA-N 1 0 316.448 4.488 20 30 DIEDRO C=CC[N@H+](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C(C)C ZINC001560652565 1060476897 /nfs/dbraw/zinc/47/68/97/1060476897.db2.gz DCEZNTAIFQHEHS-UHFFFAOYSA-N 1 0 318.461 4.108 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cccc2cnccc21 ZINC001560699559 1060553618 /nfs/dbraw/zinc/55/36/18/1060553618.db2.gz WVPYRLQTNRRBHW-UHFFFAOYSA-N 1 0 302.421 4.466 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCOc2ccccc21 ZINC001560699681 1060555516 /nfs/dbraw/zinc/55/55/16/1060555516.db2.gz ZVONAHIFUGTXMA-IBGZPJMESA-N 1 0 307.437 4.283 20 30 DIEDRO C=CC[N@@H+](Cc1ccnn1CC1CCC1)CC1CCCCC1 ZINC001560702273 1060559442 /nfs/dbraw/zinc/55/94/42/1060559442.db2.gz NLBVNCYHUPTRKM-UHFFFAOYSA-N 1 0 301.478 4.252 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001560721107 1060581964 /nfs/dbraw/zinc/58/19/64/1060581964.db2.gz WOVGEDFWUYKYJZ-UHFFFAOYSA-N 1 0 300.377 4.411 20 30 DIEDRO CC#CCC[NH2+]Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001560723363 1060584947 /nfs/dbraw/zinc/58/49/47/1060584947.db2.gz VUILIBMAQXHEAR-UHFFFAOYSA-N 1 0 319.326 4.399 20 30 DIEDRO C=CCC[N@@H+](C)C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001560759389 1060624892 /nfs/dbraw/zinc/62/48/92/1060624892.db2.gz ZQYFVPMGNUPFOE-OAHLLOKOSA-N 1 0 312.498 4.214 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1ccsc1Br ZINC001560784670 1060647552 /nfs/dbraw/zinc/64/75/52/1060647552.db2.gz TVBUEGIYZCKXOR-UHFFFAOYSA-N 1 0 300.265 4.184 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2ccc(N(C)C(C)C)nc2)CCCC1(C)C ZINC001560793143 1060653784 /nfs/dbraw/zinc/65/37/84/1060653784.db2.gz GVHHTVZVYZUYGA-GOSISDBHSA-N 1 0 315.505 4.493 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(N(C)CC)nc1 ZINC001560802687 1060662815 /nfs/dbraw/zinc/66/28/15/1060662815.db2.gz BIYBHEBTLCTXFD-UHFFFAOYSA-N 1 0 309.457 4.116 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC001560806532 1060666728 /nfs/dbraw/zinc/66/67/28/1060666728.db2.gz KQSVDVCKEIBGON-CVEARBPZSA-N 1 0 313.445 4.446 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(C)C ZINC001560819231 1060676340 /nfs/dbraw/zinc/67/63/40/1060676340.db2.gz POLUUBXPBWHILI-LJQANCHMSA-N 1 0 312.482 4.132 20 30 DIEDRO C#C[C@H](CC)[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001560817956 1060677043 /nfs/dbraw/zinc/67/70/43/1060677043.db2.gz DXFKOZOOKNHOAJ-OAHLLOKOSA-N 1 0 318.779 4.168 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(OC)c(O)cc2Cl)CCCC1 ZINC001560831213 1060689564 /nfs/dbraw/zinc/68/95/64/1060689564.db2.gz MEJHHXCZTGRASG-UHFFFAOYSA-N 1 0 309.837 4.280 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001560849091 1060705862 /nfs/dbraw/zinc/70/58/62/1060705862.db2.gz PFFFQWMMQRLXJB-CJNGLKHVSA-N 1 0 308.878 4.446 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1 ZINC001560870799 1060730324 /nfs/dbraw/zinc/73/03/24/1060730324.db2.gz QBRKQBKKVOOGIN-LEWJYISDSA-N 1 0 319.448 4.346 20 30 DIEDRO Cc1cc(C[NH+]2CC(Cc3ccc(Cl)cc3)C2)ccc1C#N ZINC001560876098 1060735365 /nfs/dbraw/zinc/73/53/65/1060735365.db2.gz VHOABFMFYQGRJF-UHFFFAOYSA-N 1 0 310.828 4.195 20 30 DIEDRO C=C(CC)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC001560886115 1060748288 /nfs/dbraw/zinc/74/82/88/1060748288.db2.gz VFEQEWTYQPTGIG-LLVKDONJSA-N 1 0 300.215 4.075 20 30 DIEDRO C#CC1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC001560901447 1060765288 /nfs/dbraw/zinc/76/52/88/1060765288.db2.gz SYMHEYUDSQYUBK-UHFFFAOYSA-N 1 0 309.375 4.373 20 30 DIEDRO Fc1cccc(C2CC[NH+](CC#Cc3ccccc3)CC2)c1F ZINC001560903858 1060768335 /nfs/dbraw/zinc/76/83/35/1060768335.db2.gz FZTUIZDXWRQXRZ-UHFFFAOYSA-N 1 0 311.375 4.196 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC001560916917 1060778924 /nfs/dbraw/zinc/77/89/24/1060778924.db2.gz YSOYRQJWQRWXLU-HRCADAONSA-N 1 0 322.493 4.157 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001560927085 1060790713 /nfs/dbraw/zinc/79/07/13/1060790713.db2.gz GTACHJXNKHLMPW-NXHRZFHOSA-N 1 0 315.457 4.461 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cc(OC)c(O)c(OC)c2)CCCC1 ZINC001560928766 1060792937 /nfs/dbraw/zinc/79/29/37/1060792937.db2.gz BKWXXPYINOTJKG-UHFFFAOYSA-N 1 0 319.445 4.026 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC001560928701 1060793234 /nfs/dbraw/zinc/79/32/34/1060793234.db2.gz ZTVOHRVVOAJJDB-LEWJYISDSA-N 1 0 304.437 4.201 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC001560982559 1060846888 /nfs/dbraw/zinc/84/68/88/1060846888.db2.gz AGNXJLWTALZZHT-JOCHJYFZSA-N 1 0 323.480 4.005 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C)cc2)cc1C#N ZINC001560985456 1060850436 /nfs/dbraw/zinc/85/04/36/1060850436.db2.gz AWIIKTXGWUOZAZ-WOJBJXKFSA-N 1 0 320.436 4.301 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001560990788 1060854283 /nfs/dbraw/zinc/85/42/83/1060854283.db2.gz TWHUSRRPEZSWDF-DOTOQJQBSA-N 1 0 320.864 4.170 20 30 DIEDRO C=C1CCC(C[NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001561001136 1060861015 /nfs/dbraw/zinc/86/10/15/1060861015.db2.gz LZRBUMJSFHJOGW-CQSZACIVSA-N 1 0 320.864 4.393 20 30 DIEDRO C=C1CCC(C[NH2+][C@H](C)CCCC(C)(C)C(=O)OCC)CC1 ZINC001561000995 1060861957 /nfs/dbraw/zinc/86/19/57/1060861957.db2.gz GZNLQJYXYXHXLM-MRXNPFEDSA-N 1 0 309.494 4.471 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001561035621 1060888558 /nfs/dbraw/zinc/88/85/58/1060888558.db2.gz CZHGNPAVXWVICI-SJLPKXTDSA-N 1 0 308.400 4.056 20 30 DIEDRO N#Cc1ccccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001250580460 1060914270 /nfs/dbraw/zinc/91/42/70/1060914270.db2.gz ZRSMYEAICFPAFY-UXHICEINSA-N 1 0 300.405 4.379 20 30 DIEDRO N#Cc1cccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001250590875 1060926413 /nfs/dbraw/zinc/92/64/13/1060926413.db2.gz WLUQPTPIAJANSK-RTWAWAEBSA-N 1 0 300.405 4.379 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC001473194785 1060955214 /nfs/dbraw/zinc/95/52/14/1060955214.db2.gz LBSOWLPAFQQJIH-IBGZPJMESA-N 1 0 308.425 4.020 20 30 DIEDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC001473201146 1060962041 /nfs/dbraw/zinc/96/20/41/1060962041.db2.gz OVSIJIYZLUYGJS-INIZCTEOSA-N 1 0 304.437 4.435 20 30 DIEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC001462148361 1060966187 /nfs/dbraw/zinc/96/61/87/1060966187.db2.gz WTBPNDIKLWXZLN-IEBWSBKVSA-N 1 0 310.828 4.495 20 30 DIEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473215643 1060985097 /nfs/dbraw/zinc/98/50/97/1060985097.db2.gz KXWYPAHOFPBCHK-CRAIPNDOSA-N 1 0 308.400 4.150 20 30 DIEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001473216315 1060989030 /nfs/dbraw/zinc/98/90/30/1060989030.db2.gz RTWZOEWDBZAMKS-UWJYYQICSA-N 1 0 304.437 4.054 20 30 DIEDRO CC(C)[C@H]([NH2+]C[C@H](O)CC#N)c1ccc(C2CCCCC2)cc1 ZINC001473233176 1061012368 /nfs/dbraw/zinc/01/23/68/1061012368.db2.gz YWFLLTQDBJLEFH-UXHICEINSA-N 1 0 314.473 4.296 20 30 DIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001473238090 1061015624 /nfs/dbraw/zinc/01/56/24/1061015624.db2.gz WGWQBBRMYUCLCV-DLBZAZTESA-N 1 0 320.864 4.237 20 30 DIEDRO CCc1ccc([C@@H]([NH2+]C[C@H](O)c2cccc(C#N)c2)C(C)C)cc1 ZINC001473256608 1061035019 /nfs/dbraw/zinc/03/50/19/1061035019.db2.gz PSJGRPYJXGEQKR-SFTDATJTSA-N 1 0 322.452 4.141 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC001462223291 1061037505 /nfs/dbraw/zinc/03/75/05/1061037505.db2.gz YPVNEWZIUZPJKE-BHDDXSALSA-N 1 0 301.433 4.436 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC001462223304 1061038814 /nfs/dbraw/zinc/03/88/14/1061038814.db2.gz YPVNEWZIUZPJKE-YPAWHYETSA-N 1 0 301.433 4.436 20 30 DIEDRO C#C[C@H](CC)[NH2+]Cc1ccccc1OCc1ccc(F)cc1F ZINC001462226487 1061042131 /nfs/dbraw/zinc/04/21/31/1061042131.db2.gz XWLPJWHPSNSCQS-QGZVFWFLSA-N 1 0 315.363 4.045 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC001473309950 1061075445 /nfs/dbraw/zinc/07/54/45/1061075445.db2.gz DSEKXNCTFQMKJA-ZDUSSCGKSA-N 1 0 300.215 4.411 20 30 DIEDRO C#CCOCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001473310305 1061075663 /nfs/dbraw/zinc/07/56/63/1061075663.db2.gz ISZAEBAIJDGBGY-YADHBBJMSA-N 1 0 319.448 4.087 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(Cl)c(Cl)c2)C1 ZINC001462285266 1061078699 /nfs/dbraw/zinc/07/86/99/1061078699.db2.gz UMYNWTYJRWHOMY-VXGBXAGGSA-N 1 0 313.228 4.044 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C2CC2)cc1 ZINC001473315984 1061079247 /nfs/dbraw/zinc/07/92/47/1061079247.db2.gz PVYZQKOEDDQRBT-IBGZPJMESA-N 1 0 312.363 4.272 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC001473315946 1061079301 /nfs/dbraw/zinc/07/93/01/1061079301.db2.gz CNQXFUQVJYLHJQ-WDEREUQCSA-N 1 0 301.764 4.394 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001473316773 1061083881 /nfs/dbraw/zinc/08/38/81/1061083881.db2.gz XAMKXBWBACDGMP-UMNHJUIQSA-N 1 0 314.763 4.284 20 30 DIEDRO CCCC[N@H+](CCCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001473325479 1061087687 /nfs/dbraw/zinc/08/76/87/1061087687.db2.gz RBGJPWIDXTVMEI-UHFFFAOYSA-N 1 0 322.452 4.210 20 30 DIEDRO C=CCCCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001473330282 1061092941 /nfs/dbraw/zinc/09/29/41/1061092941.db2.gz ZFUONJNXGLJMKO-SFHVURJKSA-N 1 0 324.472 4.398 20 30 DIEDRO CC1(C)C[N@H+](CC#Cc2cccc(Cl)c2)Cc2ccccc21 ZINC001473344579 1061101408 /nfs/dbraw/zinc/10/14/08/1061101408.db2.gz VUIKUTLFARNLCL-UHFFFAOYSA-N 1 0 309.840 4.485 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1ccc(Br)c(C)c1 ZINC001462327499 1061106012 /nfs/dbraw/zinc/10/60/12/1061106012.db2.gz AFAVWNNWBUCVPC-UHFFFAOYSA-N 1 0 308.263 4.431 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)cc1C#N ZINC001473355252 1061108967 /nfs/dbraw/zinc/10/89/67/1061108967.db2.gz XYYPRBVPLYSUNQ-OAQYLSRUSA-N 1 0 304.437 4.464 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC001462335285 1061112480 /nfs/dbraw/zinc/11/24/80/1061112480.db2.gz SZJOFQAVMXARBQ-MSOLQXFVSA-N 1 0 316.448 4.412 20 30 DIEDRO C[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001462337030 1061113255 /nfs/dbraw/zinc/11/32/55/1061113255.db2.gz XMNDIMTXSAOXHB-YLJYHZDGSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc2c(c1)CCCC2 ZINC001473362643 1061113851 /nfs/dbraw/zinc/11/38/51/1061113851.db2.gz CKESGLAIZLZWRZ-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)cc1F ZINC001462345710 1061120317 /nfs/dbraw/zinc/12/03/17/1061120317.db2.gz AGBSDYQRRDVTRX-UHFFFAOYSA-N 1 0 308.278 4.064 20 30 DIEDRO COC1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCCCCC1 ZINC001462353797 1061123853 /nfs/dbraw/zinc/12/38/53/1061123853.db2.gz GOHCBHPXELVXJO-LJQANCHMSA-N 1 0 312.457 4.265 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001462366080 1061129489 /nfs/dbraw/zinc/12/94/89/1061129489.db2.gz VSAXZMNMUFINBP-HUUCEWRRSA-N 1 0 306.409 4.075 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@@H]1C ZINC001473405086 1061139922 /nfs/dbraw/zinc/13/99/22/1061139922.db2.gz ZXQVVYURWYXALR-HSMVNMDESA-N 1 0 321.262 4.235 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC001473408890 1061143139 /nfs/dbraw/zinc/14/31/39/1061143139.db2.gz NFTQIJIKTZQVRV-CTNGQTDRSA-N 1 0 312.501 4.070 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[N@H+](CC2CC2)C2CCC2)cc1 ZINC001473422757 1061153985 /nfs/dbraw/zinc/15/39/85/1061153985.db2.gz CBACLGRLZSOEJZ-UHFFFAOYSA-N 1 0 323.358 4.201 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC001462408151 1061154484 /nfs/dbraw/zinc/15/44/84/1061154484.db2.gz MRQSKNQESBDYQW-AWEZNQCLSA-N 1 0 300.377 4.457 20 30 DIEDRO C=C(Br)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001473452105 1061167337 /nfs/dbraw/zinc/16/73/37/1061167337.db2.gz KIBHDEYULXGYOJ-BZUAXINKSA-N 1 0 306.247 4.163 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001462429188 1061168527 /nfs/dbraw/zinc/16/85/27/1061168527.db2.gz UWRYELWKESDQIR-HIFRSBDPSA-N 1 0 308.809 4.473 20 30 DIEDRO C=CCCC(C)(C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001462455243 1061183824 /nfs/dbraw/zinc/18/38/24/1061183824.db2.gz YGYRQYLJUAURAH-HOTGVXAUSA-N 1 0 324.509 4.356 20 30 DIEDRO C=C(C)[C@H](CO)[NH+]1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001473489206 1061187429 /nfs/dbraw/zinc/18/74/29/1061187429.db2.gz YZQMVGGKCHWACR-IBGZPJMESA-N 1 0 301.474 4.101 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](Cc1cccc(Cl)c1)CC(C)C ZINC001462475149 1061195205 /nfs/dbraw/zinc/19/52/05/1061195205.db2.gz GKFUEGZBNBLYCN-RBUKOAKNSA-N 1 0 321.892 4.315 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC001462493520 1061211563 /nfs/dbraw/zinc/21/15/63/1061211563.db2.gz WEFVONVPMXRSSB-OAHLLOKOSA-N 1 0 305.462 4.304 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC001462493509 1061211661 /nfs/dbraw/zinc/21/16/61/1061211661.db2.gz WEFVONVPMXRSSB-HNNXBMFYSA-N 1 0 305.462 4.304 20 30 DIEDRO Cc1cc(C[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)ccc1C#N ZINC001462501780 1061213773 /nfs/dbraw/zinc/21/37/73/1061213773.db2.gz FYDUGMMAGMBXIX-NJYVYQBISA-N 1 0 302.421 4.102 20 30 DIEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCOc1ccccc1C#N ZINC001473518500 1061215178 /nfs/dbraw/zinc/21/51/78/1061215178.db2.gz DFHNUSXWPNVOQU-DOTOQJQBSA-N 1 0 300.446 4.084 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC001462504788 1061216610 /nfs/dbraw/zinc/21/66/10/1061216610.db2.gz LISJMHYEMOAKCK-QAPCUYQASA-N 1 0 302.462 4.152 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525790 1061222797 /nfs/dbraw/zinc/22/27/97/1061222797.db2.gz GRABCNWIIQPEJG-VQTJNVASSA-N 1 0 320.436 4.236 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001473527622 1061223955 /nfs/dbraw/zinc/22/39/55/1061223955.db2.gz IEDLECNZATVEFD-RTBURBONSA-N 1 0 317.473 4.236 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ncc(Br)s1 ZINC001462522722 1061232657 /nfs/dbraw/zinc/23/26/57/1061232657.db2.gz ZSAOKNLCVQNOBC-SNVBAGLBSA-N 1 0 303.269 4.130 20 30 DIEDRO Clc1cccc(C#CC[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC001473548807 1061236979 /nfs/dbraw/zinc/23/69/79/1061236979.db2.gz WFJBTRFXMOQHFC-UHFFFAOYSA-N 1 0 305.874 4.053 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2nc3ccccc3[nH]2)C2CCCCC2)C1 ZINC001462526893 1061237312 /nfs/dbraw/zinc/23/73/12/1061237312.db2.gz XXGUOYODGYTGNB-ALKREAHSSA-N 1 0 322.456 4.466 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H]2CC[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC001462568795 1061267922 /nfs/dbraw/zinc/26/79/22/1061267922.db2.gz XBNZYSZYJCHVQY-GHTZIAJQSA-N 1 0 312.501 4.376 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1 ZINC001462576526 1061272548 /nfs/dbraw/zinc/27/25/48/1061272548.db2.gz FCOIOZYRZOZEOP-HZPDHXFCSA-N 1 0 308.425 4.157 20 30 DIEDRO C=CC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001473627235 1061297998 /nfs/dbraw/zinc/29/79/98/1061297998.db2.gz HJZPDMLGQJFUMC-SFHVURJKSA-N 1 0 322.452 4.449 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCC1CCCCC1 ZINC001473637973 1061306166 /nfs/dbraw/zinc/30/61/66/1061306166.db2.gz OHAUGZTYJOMMEM-RBUKOAKNSA-N 1 0 320.521 4.188 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)CCc2ccccc21 ZINC001473635026 1061306314 /nfs/dbraw/zinc/30/63/14/1061306314.db2.gz ATQFUFZWGKNNNU-UHFFFAOYSA-N 1 0 308.400 4.033 20 30 DIEDRO C=CC[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H](C)COC ZINC001473637598 1061306681 /nfs/dbraw/zinc/30/66/81/1061306681.db2.gz UJYMMGNQCUFLTO-ZDUSSCGKSA-N 1 0 320.820 4.018 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1C ZINC001473637251 1061306891 /nfs/dbraw/zinc/30/68/91/1061306891.db2.gz DNXMPBFISAQADC-YLJYHZDGSA-N 1 0 309.457 4.405 20 30 DIEDRO Cc1ccc([C@H](C)C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC001462632487 1061308492 /nfs/dbraw/zinc/30/84/92/1061308492.db2.gz WMCRYIOPUWGFCD-UTKZUKDTSA-N 1 0 320.436 4.044 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC001473638120 1061309696 /nfs/dbraw/zinc/30/96/96/1061309696.db2.gz PNFFXYOLZLKYEH-BBRMVZONSA-N 1 0 306.837 4.003 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(Br)c1 ZINC001473638452 1061312315 /nfs/dbraw/zinc/31/23/15/1061312315.db2.gz VFJBWQMLHFRMAU-KBPBESRZSA-N 1 0 309.251 4.069 20 30 DIEDRO C=CCC1([NH2+]CCOc2ccccc2Br)CCCC1 ZINC001473647723 1061315322 /nfs/dbraw/zinc/31/53/22/1061315322.db2.gz PXZXZHSKAIQDFV-UHFFFAOYSA-N 1 0 324.262 4.306 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccccc1SC(F)(F)F ZINC001462645599 1061315693 /nfs/dbraw/zinc/31/56/93/1061315693.db2.gz UKFNECBFFRANCJ-LLVKDONJSA-N 1 0 302.365 4.328 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC001473671326 1061332346 /nfs/dbraw/zinc/33/23/46/1061332346.db2.gz XQIPHCTUWPZIEE-KRWDZBQOSA-N 1 0 312.363 4.216 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](CCC3CCCCCC3)CC2)nc1 ZINC001473672809 1061333965 /nfs/dbraw/zinc/33/39/65/1061333965.db2.gz RWASUTSCBWERNP-UHFFFAOYSA-N 1 0 311.473 4.493 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(CC)cc2)CCCCC1 ZINC001473719162 1061367656 /nfs/dbraw/zinc/36/76/56/1061367656.db2.gz DCBAZYUPFBFKSJ-UHFFFAOYSA-N 1 0 300.446 4.056 20 30 DIEDRO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccc2cc[nH]c2c1 ZINC001473742816 1061383652 /nfs/dbraw/zinc/38/36/52/1061383652.db2.gz YPKNKJLFKIYJDA-UHFFFAOYSA-N 1 0 308.812 4.305 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001473739698 1061384395 /nfs/dbraw/zinc/38/43/95/1061384395.db2.gz UGTKBXLHIPDLBM-SJORKVTESA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCC[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC001473759512 1061395041 /nfs/dbraw/zinc/39/50/41/1061395041.db2.gz IGVVOJZETMDFHT-NHCUHLMSSA-N 1 0 320.436 4.279 20 30 DIEDRO C=CCCC[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC001473759514 1061397287 /nfs/dbraw/zinc/39/72/87/1061397287.db2.gz IGVVOJZETMDFHT-SFTDATJTSA-N 1 0 320.436 4.279 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1cc(F)ccc1OC ZINC001473814077 1061419449 /nfs/dbraw/zinc/41/94/49/1061419449.db2.gz XSTLUIABGXBJMF-GOSISDBHSA-N 1 0 312.388 4.255 20 30 DIEDRO N#Cc1cc(C[N@@H+](Cc2cccc(F)c2)C2CCC2)ccc1F ZINC001473812672 1061420950 /nfs/dbraw/zinc/42/09/50/1061420950.db2.gz WHONXRWLPKOCEC-UHFFFAOYSA-N 1 0 312.363 4.391 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001473818838 1061422869 /nfs/dbraw/zinc/42/28/69/1061422869.db2.gz XJOFPEOHFJAUAC-OXJNMPFZSA-N 1 0 320.436 4.335 20 30 DIEDRO C#CCC1([NH2+]Cc2sc(C)nc2C(F)(F)F)CCCCC1 ZINC001473825114 1061425445 /nfs/dbraw/zinc/42/54/45/1061425445.db2.gz CENFVLIHWBLOAG-UHFFFAOYSA-N 1 0 316.392 4.286 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC001473845249 1061431135 /nfs/dbraw/zinc/43/11/35/1061431135.db2.gz HCAGSDWTAAXKPP-LJQANCHMSA-N 1 0 320.436 4.335 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@H]1COc1ccc(Br)cc1 ZINC001473844116 1061432285 /nfs/dbraw/zinc/43/22/85/1061432285.db2.gz UWSQMXLTFMBEOA-HNNXBMFYSA-N 1 0 324.262 4.259 20 30 DIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC001473843525 1061432656 /nfs/dbraw/zinc/43/26/56/1061432656.db2.gz FDNLOYSHWGPDKG-NKSQBSFPSA-N 1 0 305.396 4.355 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001473857433 1061436085 /nfs/dbraw/zinc/43/60/85/1061436085.db2.gz RSAYJGXRUZBZNK-QGZVFWFLSA-N 1 0 307.359 4.488 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001473857137 1061436906 /nfs/dbraw/zinc/43/69/06/1061436906.db2.gz FGOIXOZNOQSTGC-INIZCTEOSA-N 1 0 304.821 4.173 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001473857510 1061437742 /nfs/dbraw/zinc/43/77/42/1061437742.db2.gz USLWQJZUIKAVCK-CQSZACIVSA-N 1 0 316.445 4.356 20 30 DIEDRO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001473868055 1061442182 /nfs/dbraw/zinc/44/21/82/1061442182.db2.gz GBPSFZIZUWJDSS-HXUWFJFHSA-N 1 0 300.405 4.213 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(Cl)cc1 ZINC001473915928 1061463008 /nfs/dbraw/zinc/46/30/08/1061463008.db2.gz LRWMEAVMONVEMB-UHFFFAOYSA-N 1 0 316.857 4.235 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCC(C)C)cc1OC ZINC001473921997 1061470912 /nfs/dbraw/zinc/47/09/12/1061470912.db2.gz VFNYWNQGQKRTEC-UHFFFAOYSA-N 1 0 311.853 4.439 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC001473922979 1061473056 /nfs/dbraw/zinc/47/30/56/1061473056.db2.gz RGSHEXOPWYBKBN-CTNGQTDRSA-N 1 0 312.501 4.028 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCC(C)C)cc1C#N ZINC001473976131 1061521700 /nfs/dbraw/zinc/52/17/00/1061521700.db2.gz CFOZDMJFSQAUAA-AEFFLSMTSA-N 1 0 300.446 4.261 20 30 DIEDRO C=CCN1CCC([NH2+]Cc2ccc(C3CC3)c(C3CC3)c2)CC1 ZINC001473981453 1061524808 /nfs/dbraw/zinc/52/48/08/1061524808.db2.gz JDSJHOJJMYYHBT-UHFFFAOYSA-N 1 0 310.485 4.181 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC001463889704 1061530535 /nfs/dbraw/zinc/53/05/35/1061530535.db2.gz MDZQTRZKABETQE-LJQANCHMSA-N 1 0 316.489 4.131 20 30 DIEDRO Cc1ccccc1OCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001473993361 1061538603 /nfs/dbraw/zinc/53/86/03/1061538603.db2.gz VATNMHILYHQXNN-UHFFFAOYSA-N 1 0 320.436 4.109 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001474006803 1061546569 /nfs/dbraw/zinc/54/65/69/1061546569.db2.gz KUGPODTZTJZNDE-UHFFFAOYSA-N 1 0 323.436 4.166 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cccc(OC(C)C)c1 ZINC001474006142 1061547549 /nfs/dbraw/zinc/54/75/49/1061547549.db2.gz REHVGYXXHFDYNE-UHFFFAOYSA-N 1 0 311.425 4.328 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCc2ccc(OC)c(OCC)c2)C1 ZINC001474012800 1061555700 /nfs/dbraw/zinc/55/57/00/1061555700.db2.gz HWLQEVQQQHJCFD-FUHWJXTLSA-N 1 0 317.473 4.361 20 30 DIEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001474040231 1061585831 /nfs/dbraw/zinc/58/58/31/1061585831.db2.gz VLLZEGIUUNXGBD-VQIMIIECSA-N 1 0 313.489 4.341 20 30 DIEDRO C=CC1(CC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCCCC1 ZINC001464399672 1061588748 /nfs/dbraw/zinc/58/87/48/1061588748.db2.gz JLUCALSJZFGXOV-YLJYHZDGSA-N 1 0 320.521 4.140 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001252131507 1061588638 /nfs/dbraw/zinc/58/86/38/1061588638.db2.gz PCUGLPUPBKVCNU-APWZRJJASA-N 1 0 302.462 4.320 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](C(C)(C)O)CC1 ZINC001252133619 1061592268 /nfs/dbraw/zinc/59/22/68/1061592268.db2.gz KDADGEPGOSZLFW-KZNAEPCWSA-N 1 0 313.526 4.017 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1nccc2ccccc21 ZINC001252137236 1061595480 /nfs/dbraw/zinc/59/54/80/1061595480.db2.gz WPEWERCNEDRMKH-SFHVURJKSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001252136960 1061595586 /nfs/dbraw/zinc/59/55/86/1061595586.db2.gz UXBKIOWNDDWAAI-QFBILLFUSA-N 1 0 302.462 4.320 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C(C)(C)CC1CCOCC1 ZINC001252138852 1061596653 /nfs/dbraw/zinc/59/66/53/1061596653.db2.gz GPUMOZMOFFVUCR-GOSISDBHSA-N 1 0 313.526 4.283 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC001252140078 1061597081 /nfs/dbraw/zinc/59/70/81/1061597081.db2.gz YBSUJPXWBYEXMI-RTBURBONSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C(C)(C)Cc1ccccn1 ZINC001252139977 1061597461 /nfs/dbraw/zinc/59/74/61/1061597461.db2.gz WEUXRXFNWKPXKH-GOSISDBHSA-N 1 0 306.494 4.104 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001252138939 1061597484 /nfs/dbraw/zinc/59/74/84/1061597484.db2.gz GGLKIOZXZVEZKH-RBUKOAKNSA-N 1 0 304.478 4.234 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC1(c2cccc(C)n2)CC1 ZINC001252139062 1061597540 /nfs/dbraw/zinc/59/75/40/1061597540.db2.gz ISOFSPMRWGKNLA-SFHVURJKSA-N 1 0 318.505 4.123 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001252139032 1061598714 /nfs/dbraw/zinc/59/87/14/1061598714.db2.gz HMHRQJPEXONKHQ-YLJYHZDGSA-N 1 0 314.473 4.247 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1noc2ccccc12 ZINC001252140218 1061599913 /nfs/dbraw/zinc/59/99/13/1061599913.db2.gz NGLZGAXKWNJNPE-OAHLLOKOSA-N 1 0 304.434 4.029 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccc2cc[nH]c21 ZINC001252140803 1061601008 /nfs/dbraw/zinc/60/10/08/1061601008.db2.gz UPKCPKCNWFEWBN-SFHVURJKSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc2ocnc2c1 ZINC001252140408 1061601043 /nfs/dbraw/zinc/60/10/43/1061601043.db2.gz QDBQMHUXTBKCFI-MRXNPFEDSA-N 1 0 304.434 4.029 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](c1ccncc1)C(C)C ZINC001252140427 1061601162 /nfs/dbraw/zinc/60/11/62/1061601162.db2.gz AAVTVOUCYHOWIF-RTBURBONSA-N 1 0 306.494 4.480 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)C1 ZINC001474064071 1061610497 /nfs/dbraw/zinc/61/04/97/1061610497.db2.gz QAGKVFDOMXRXEY-DGCLKSJQSA-N 1 0 315.244 4.102 20 30 DIEDRO C#CCCCC[NH2+]Cc1oc2ccccc2c1Br ZINC001474067060 1061614075 /nfs/dbraw/zinc/61/40/75/1061614075.db2.gz BEDZBJYCNUBATF-UHFFFAOYSA-N 1 0 306.203 4.088 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccccc1 ZINC001474075581 1061622122 /nfs/dbraw/zinc/62/21/22/1061622122.db2.gz QWJITABKUWXWBU-LJQANCHMSA-N 1 0 302.421 4.341 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001464771199 1061628649 /nfs/dbraw/zinc/62/86/49/1061628649.db2.gz AYTNOIWJGANUQV-QGZVFWFLSA-N 1 0 310.526 4.316 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1C ZINC001464842316 1061639408 /nfs/dbraw/zinc/63/94/08/1061639408.db2.gz AZSSKQIXZWIRMY-UHFFFAOYSA-N 1 0 324.424 4.234 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CC1(C)CCCCC1)C(C)C ZINC001464871266 1061642971 /nfs/dbraw/zinc/64/29/71/1061642971.db2.gz NOPWGPUCXVJVTC-GOSISDBHSA-N 1 0 320.521 4.162 20 30 DIEDRO C=C[C@@](C)(O)C[N@@H+](Cc1c(Cl)cccc1Cl)C(C)C ZINC001252558087 1061664154 /nfs/dbraw/zinc/66/41/54/1061664154.db2.gz MGODPMIEJYNWAY-OAHLLOKOSA-N 1 0 302.245 4.141 20 30 DIEDRO C=C[C@@](C)(O)C[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001252559447 1061664619 /nfs/dbraw/zinc/66/46/19/1061664619.db2.gz XHQLCBLDTASUHR-DYESRHJHSA-N 1 0 320.436 4.058 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)cc1C#N ZINC001474117889 1061665532 /nfs/dbraw/zinc/66/55/32/1061665532.db2.gz CJAQSGQUVCWHJH-YLJYHZDGSA-N 1 0 320.436 4.068 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCN2CCC3(CCCCC3)CC2)C1 ZINC001474125800 1061671136 /nfs/dbraw/zinc/67/11/36/1061671136.db2.gz XWDKRUCFKPUQBZ-RTBURBONSA-N 1 0 304.522 4.367 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1sc2ccccc2c1Cl ZINC001252603385 1061673107 /nfs/dbraw/zinc/67/31/07/1061673107.db2.gz UUOYBZAPAFBZBS-LBPRGKRZSA-N 1 0 309.862 4.314 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001252602889 1061673347 /nfs/dbraw/zinc/67/33/47/1061673347.db2.gz HEPLJZLAAGYOAD-UONOGXRCSA-N 1 0 314.256 4.110 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC001252602034 1061674050 /nfs/dbraw/zinc/67/40/50/1061674050.db2.gz JLCLCLLSSWUGBE-SFHVURJKSA-N 1 0 311.425 4.238 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1 ZINC001252617781 1061678961 /nfs/dbraw/zinc/67/89/61/1061678961.db2.gz KLSXVMFWRJHKKH-QGZVFWFLSA-N 1 0 315.388 4.035 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC001252619015 1061679200 /nfs/dbraw/zinc/67/92/00/1061679200.db2.gz ISPQZSWLXKCCHP-RTWAWAEBSA-N 1 0 309.453 4.196 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC001252619109 1061680003 /nfs/dbraw/zinc/68/00/03/1061680003.db2.gz BBNRGEKLYIKSKQ-LJQANCHMSA-N 1 0 317.473 4.062 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C1(c2ccc(C)cc2)CCC(F)(F)CC1 ZINC001252623157 1061681935 /nfs/dbraw/zinc/68/19/35/1061681935.db2.gz FUTVUGOFZDUTMG-KRWDZBQOSA-N 1 0 323.427 4.316 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CCCCC1 ZINC001474146954 1061692606 /nfs/dbraw/zinc/69/26/06/1061692606.db2.gz MPNQPIFBQSTLLY-LJQANCHMSA-N 1 0 315.457 4.223 20 30 DIEDRO CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001474164237 1061709159 /nfs/dbraw/zinc/70/91/59/1061709159.db2.gz JYUDOKDCKAAQQU-RBUKOAKNSA-N 1 0 313.489 4.342 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC001474178055 1061726003 /nfs/dbraw/zinc/72/60/03/1061726003.db2.gz AARNJBPVVWHNEB-UHFFFAOYSA-N 1 0 317.454 4.392 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](CC)CC(F)(F)F)cc1 ZINC001474183345 1061731334 /nfs/dbraw/zinc/73/13/34/1061731334.db2.gz QZFIRGBRMZRQPT-CQSZACIVSA-N 1 0 313.363 4.157 20 30 DIEDRO N#CCC[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CCCCCCC1 ZINC001252846538 1061741995 /nfs/dbraw/zinc/74/19/95/1061741995.db2.gz OSCCKMWPRVSUPZ-IBGZPJMESA-N 1 0 318.436 4.188 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C2(c3ccc(C)cc3)CCC2)cc1 ZINC001474201542 1061754331 /nfs/dbraw/zinc/75/43/31/1061754331.db2.gz ZLCCRVBEPACOGE-UHFFFAOYSA-N 1 0 305.421 4.176 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2ccnc3ccccc23)c1 ZINC001474204862 1061761016 /nfs/dbraw/zinc/76/10/16/1061761016.db2.gz QPAAZCOHISWIOY-UHFFFAOYSA-N 1 0 318.420 4.132 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cc(OC)ccc2OC)CCCC1 ZINC001474208040 1061763122 /nfs/dbraw/zinc/76/31/22/1061763122.db2.gz QDMLZSJHSVDRGG-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO CC(C)([NH2+]Cc1nccc2ccccc21)c1cccc(C#N)c1 ZINC001474207559 1061763327 /nfs/dbraw/zinc/76/33/27/1061763327.db2.gz XMJZGMABKQNANE-UHFFFAOYSA-N 1 0 301.393 4.131 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OCC)c(OCC)c2)CCCC1 ZINC001474210258 1061765244 /nfs/dbraw/zinc/76/52/44/1061765244.db2.gz OSCHKOAGRCAVJD-UHFFFAOYSA-N 1 0 303.446 4.463 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CCc1nccs1 ZINC001252980232 1061768344 /nfs/dbraw/zinc/76/83/44/1061768344.db2.gz KNWOCCLOHANILG-MRXNPFEDSA-N 1 0 312.523 4.167 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC001252983489 1061772446 /nfs/dbraw/zinc/77/24/46/1061772446.db2.gz WESXHDIDRBILSE-PMACEKPBSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CCc1cccnc1 ZINC001252980432 1061773262 /nfs/dbraw/zinc/77/32/62/1061773262.db2.gz OMRIDQUJRXZVTF-LJQANCHMSA-N 1 0 306.494 4.105 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC001252980335 1061773783 /nfs/dbraw/zinc/77/37/83/1061773783.db2.gz RQZJRYSSTZXMKA-OALUTQOASA-N 1 0 313.526 4.115 20 30 DIEDRO CCCCCCCCCC[C@@H](O)CN1CC([NH+]2CCCCC2)C1 ZINC001252984063 1061775186 /nfs/dbraw/zinc/77/51/86/1061775186.db2.gz CQSSFSPLOKHKAU-HXUWFJFHSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC12CCOCC2 ZINC001252985003 1061775253 /nfs/dbraw/zinc/77/52/53/1061775253.db2.gz CIHBRIYLZPWEAV-ROUUACIJSA-N 1 0 311.510 4.037 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(F)n1 ZINC001252985801 1061775513 /nfs/dbraw/zinc/77/55/13/1061775513.db2.gz HIIAZLTUGGYFOZ-QGZVFWFLSA-N 1 0 310.457 4.202 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001252984791 1061776817 /nfs/dbraw/zinc/77/68/17/1061776817.db2.gz AAIGGWIGRBRCMF-KRWDZBQOSA-N 1 0 323.477 4.079 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1c(C)noc1C ZINC001252986625 1061777329 /nfs/dbraw/zinc/77/73/29/1061777329.db2.gz NMUVFJSHEHZWSN-KRWDZBQOSA-N 1 0 310.482 4.273 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH+]1CCC(OCC)CC1 ZINC001252984289 1061777702 /nfs/dbraw/zinc/77/77/02/1061777702.db2.gz GEUXMXUXWJGTAO-GOSISDBHSA-N 1 0 313.526 4.379 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]C1(CC)CCOCC1 ZINC001252988791 1061778526 /nfs/dbraw/zinc/77/85/26/1061778526.db2.gz JRAGIDRRHDELCA-SFHVURJKSA-N 1 0 313.526 4.427 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001252987694 1061779093 /nfs/dbraw/zinc/77/90/93/1061779093.db2.gz VRQQZUMACAIAQT-SFHVURJKSA-N 1 0 323.477 4.079 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(F)nc1 ZINC001252988262 1061779350 /nfs/dbraw/zinc/77/93/50/1061779350.db2.gz DDBGLCJIVDQCAH-QGZVFWFLSA-N 1 0 310.457 4.202 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]C1CCC(OC)CC1 ZINC001252987769 1061779373 /nfs/dbraw/zinc/77/93/73/1061779373.db2.gz XALSLMMPKMFQMH-JLAWEPINSA-N 1 0 313.526 4.425 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC001474218665 1061779464 /nfs/dbraw/zinc/77/94/64/1061779464.db2.gz DJWSEMQOSWLKRA-UHFFFAOYSA-N 1 0 317.864 4.432 20 30 DIEDRO C#CCCC1(CC[NH2+]C[C@@H](O)CCCCCCCCCC)N=N1 ZINC001252988254 1061781068 /nfs/dbraw/zinc/78/10/68/1061781068.db2.gz CSCNRQLJIVRFGN-SFHVURJKSA-N 1 0 321.509 4.433 20 30 DIEDRO CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1csc(C#N)c1 ZINC001474230312 1061791290 /nfs/dbraw/zinc/79/12/90/1061791290.db2.gz KOUVVMHEPDQFAW-INIZCTEOSA-N 1 0 323.465 4.222 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)C1 ZINC001474229913 1061791581 /nfs/dbraw/zinc/79/15/81/1061791581.db2.gz GDTIILVYEJPEGA-VNQPRFMTSA-N 1 0 322.855 4.392 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1c[nH]nc1-c1cccc(OC)c1 ZINC001474231606 1061796071 /nfs/dbraw/zinc/79/60/71/1061796071.db2.gz WWHUCIOSXFIWDV-UHFFFAOYSA-N 1 0 313.445 4.167 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC001474246936 1061811968 /nfs/dbraw/zinc/81/19/68/1061811968.db2.gz LKWUGXJVDSXFEM-GLNPCMGASA-N 1 0 313.363 4.025 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001474255867 1061823063 /nfs/dbraw/zinc/82/30/63/1061823063.db2.gz ALFPVAOPJDGJKY-PKOBYXMFSA-N 1 0 300.490 4.404 20 30 DIEDRO Cc1cc(C[NH2+]Cc2cccc(OC(C)(C)C)c2)ccc1C#N ZINC001474256825 1061827799 /nfs/dbraw/zinc/82/77/99/1061827799.db2.gz WUEADYWCTLLDLU-UHFFFAOYSA-N 1 0 308.425 4.334 20 30 DIEDRO CSc1ccc(C[NH2+]C/C=C\c2ccc(F)cc2)cc1C#N ZINC001474267327 1061833894 /nfs/dbraw/zinc/83/38/94/1061833894.db2.gz SSLKCRILIIUEIX-IHWYPQMZSA-N 1 0 312.413 4.222 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](Cc2ccccc2)C(C)C)cc1 ZINC001474267294 1061834096 /nfs/dbraw/zinc/83/40/96/1061834096.db2.gz RMKWPVNZCBZWRQ-JOCHJYFZSA-N 1 0 321.464 4.446 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001253228167 1061834984 /nfs/dbraw/zinc/83/49/84/1061834984.db2.gz PXWYXAQXFQRULO-FUHWJXTLSA-N 1 0 306.450 4.007 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+](CC)Cc1ccccc1O ZINC001253240375 1061836552 /nfs/dbraw/zinc/83/65/52/1061836552.db2.gz KCHSQSVROYGQJT-SFHVURJKSA-N 1 0 305.462 4.102 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+](C)CC/C=C/c1cccnc1 ZINC001253238692 1061837634 /nfs/dbraw/zinc/83/76/34/1061837634.db2.gz DJBVCTXFQSDXLW-JTPHSUOKSA-N 1 0 316.489 4.304 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001253239891 1061837680 /nfs/dbraw/zinc/83/76/80/1061837680.db2.gz VGHZUTMSHWAMCA-RBUKOAKNSA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001253233873 1061839157 /nfs/dbraw/zinc/83/91/57/1061839157.db2.gz PJHDXYZKWZDAEL-CVEARBPZSA-N 1 0 303.437 4.241 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1cc(F)ccc1OC ZINC001474273603 1061841688 /nfs/dbraw/zinc/84/16/88/1061841688.db2.gz FMUGICRKUZBVGI-SFHVURJKSA-N 1 0 312.388 4.255 20 30 DIEDRO C=CCCCCCC[C@@H](O)CNc1ccccc1C[NH+](C)C ZINC001253244592 1061845898 /nfs/dbraw/zinc/84/58/98/1061845898.db2.gz MXOUAZCTQCQXET-GOSISDBHSA-N 1 0 304.478 4.048 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CCCc1cccc(OC)c1 ZINC001253246994 1061846703 /nfs/dbraw/zinc/84/67/03/1061846703.db2.gz FJOHEMFCSGQLOL-IBGZPJMESA-N 1 0 319.489 4.105 20 30 DIEDRO C#CCC1([NH2+]Cc2nc3ccc(F)cc3s2)CCCCC1 ZINC001474279135 1061846939 /nfs/dbraw/zinc/84/69/39/1061846939.db2.gz JOPKRSMZOCYPCG-UHFFFAOYSA-N 1 0 302.418 4.251 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cc(F)c(F)cc1F ZINC001253246917 1061847544 /nfs/dbraw/zinc/84/75/44/1061847544.db2.gz DRLAPDQVARWIFM-AWEZNQCLSA-N 1 0 315.379 4.081 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(OCCC)c(OC)c2)CCCCC1 ZINC001474279030 1061848209 /nfs/dbraw/zinc/84/82/09/1061848209.db2.gz FJIRUPQBWPKJIA-UHFFFAOYSA-N 1 0 315.457 4.300 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC001253249632 1061850099 /nfs/dbraw/zinc/85/00/99/1061850099.db2.gz LMGQLXJVIKCJKD-PKOBYXMFSA-N 1 0 304.478 4.256 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC001253249334 1061850267 /nfs/dbraw/zinc/85/02/67/1061850267.db2.gz JMFNGSUBIDGVAR-YJBOKZPZSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001253247400 1061850990 /nfs/dbraw/zinc/85/09/90/1061850990.db2.gz IVUBSDLYMVCYBT-SFHVURJKSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2oc(C)nc2c1 ZINC001253249664 1061851111 /nfs/dbraw/zinc/85/11/11/1061851111.db2.gz MCEAHPLGFVZQBG-KRWDZBQOSA-N 1 0 316.445 4.113 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](CC)c1ncccc1C ZINC001253248455 1061851174 /nfs/dbraw/zinc/85/11/74/1061851174.db2.gz VRYSAFPCGDLJMW-ROUUACIJSA-N 1 0 304.478 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001253247763 1061851268 /nfs/dbraw/zinc/85/12/68/1061851268.db2.gz LGZCOAKPBXXDOU-GOSISDBHSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC1CCC(F)(F)CC1 ZINC001253248575 1061851318 /nfs/dbraw/zinc/85/13/18/1061851318.db2.gz XMUYKVWCAPGGKB-MRXNPFEDSA-N 1 0 303.437 4.289 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1F ZINC001253248035 1061851422 /nfs/dbraw/zinc/85/14/22/1061851422.db2.gz OXDRASAJRGNGGT-HNNXBMFYSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC001253250512 1061853931 /nfs/dbraw/zinc/85/39/31/1061853931.db2.gz AYPHQTRXENRRTO-IBGZPJMESA-N 1 0 314.473 4.188 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001253252071 1061855096 /nfs/dbraw/zinc/85/50/96/1061855096.db2.gz QRSYKHKIDICBHE-MRXNPFEDSA-N 1 0 310.869 4.021 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CC1(CC2CC2)CCOCC1 ZINC001253253175 1061855325 /nfs/dbraw/zinc/85/53/25/1061855325.db2.gz CXNJAHNIWHNAMW-IBGZPJMESA-N 1 0 323.521 4.060 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001253255698 1061856051 /nfs/dbraw/zinc/85/60/51/1061856051.db2.gz ZWCXSDKZKYXNJU-JKSUJKDBSA-N 1 0 315.448 4.432 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)(C)c1cc(C)ccn1 ZINC001253255257 1061856266 /nfs/dbraw/zinc/85/62/66/1061856266.db2.gz XWQKICGOHRSSDA-GOSISDBHSA-N 1 0 318.505 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(c2ccccc2OC)CC1 ZINC001253254324 1061856537 /nfs/dbraw/zinc/85/65/37/1061856537.db2.gz BEZPCPWELSLWCW-KRWDZBQOSA-N 1 0 317.473 4.161 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC001253255421 1061856824 /nfs/dbraw/zinc/85/68/24/1061856824.db2.gz IPXYZTKIFOCNEG-GOSISDBHSA-N 1 0 317.473 4.161 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(CC2CCC2)CCOCC1 ZINC001253254918 1061857540 /nfs/dbraw/zinc/85/75/40/1061857540.db2.gz VQHXNEMYCNDVGD-LJQANCHMSA-N 1 0 323.521 4.203 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC001253254884 1061857761 /nfs/dbraw/zinc/85/77/61/1061857761.db2.gz FQYOOVZLGNCUPV-WOJBJXKFSA-N 1 0 314.473 4.486 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)(C)Cc1cccnc1 ZINC001253254621 1061857883 /nfs/dbraw/zinc/85/78/83/1061857883.db2.gz QYCRSWYCSXPHJZ-LJQANCHMSA-N 1 0 318.505 4.127 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCOc2cc(F)ccc21 ZINC001253255271 1061858118 /nfs/dbraw/zinc/85/81/18/1061858118.db2.gz HUQRSGZWQOISLG-AEFFLSMTSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(C)(C)CC(F)(F)F ZINC001253254064 1061858165 /nfs/dbraw/zinc/85/81/65/1061858165.db2.gz MCHAYIKILPEACY-AWEZNQCLSA-N 1 0 309.416 4.442 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC001474290791 1061859810 /nfs/dbraw/zinc/85/98/10/1061859810.db2.gz CGRFINQGVMOYFS-RISCZKNCSA-N 1 0 312.226 4.423 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC001253257374 1061859945 /nfs/dbraw/zinc/85/99/45/1061859945.db2.gz SWEOBKULWQBOPA-MJGOQNOKSA-N 1 0 319.489 4.103 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)c1cccc(F)c1OC ZINC001253257182 1061860220 /nfs/dbraw/zinc/86/02/20/1061860220.db2.gz OHRRKEZLFROQFP-CVEARBPZSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1cncc(C)c1)C1CC1 ZINC001253257496 1061860492 /nfs/dbraw/zinc/86/04/92/1061860492.db2.gz WVAUGAAWNBRGET-VQTJNVASSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cc2cccc(F)c2[nH]1 ZINC001253256551 1061860680 /nfs/dbraw/zinc/86/06/80/1061860680.db2.gz BGKACPKHEOSRBA-QGZVFWFLSA-N 1 0 318.436 4.284 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)c1cncc(Cl)c1 ZINC001253257109 1061861537 /nfs/dbraw/zinc/86/15/37/1061861537.db2.gz MOJOKQMXTMAUST-RHSMWYFYSA-N 1 0 310.869 4.273 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C2(C3CCCCC3)CC2)cc1 ZINC001474292421 1061862827 /nfs/dbraw/zinc/86/28/27/1061862827.db2.gz IIUPCYSFHXGGMJ-UHFFFAOYSA-N 1 0 311.473 4.239 20 30 DIEDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC001474296068 1061865383 /nfs/dbraw/zinc/86/53/83/1061865383.db2.gz XYFFEDOLHSDLCS-UHFFFAOYSA-N 1 0 305.425 4.238 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC001474300040 1061869837 /nfs/dbraw/zinc/86/98/37/1061869837.db2.gz QZCMVMNQGVZJKX-VQTJNVASSA-N 1 0 318.464 4.456 20 30 DIEDRO CNc1ccc(C)cc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001474327031 1061914985 /nfs/dbraw/zinc/91/49/85/1061914985.db2.gz OGRVFKLOTSGAII-PZJWPPBQSA-N 1 0 319.452 4.309 20 30 DIEDRO CNc1ccc(C)cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001474327029 1061915886 /nfs/dbraw/zinc/91/58/86/1061915886.db2.gz OGRVFKLOTSGAII-FPOVZHCZSA-N 1 0 319.452 4.309 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1nccn1C ZINC001253562797 1061926516 /nfs/dbraw/zinc/92/65/16/1061926516.db2.gz GYGUDOVNFMPFSV-GOSISDBHSA-N 1 0 323.525 4.182 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001253566123 1061931243 /nfs/dbraw/zinc/93/12/43/1061931243.db2.gz XLCMERNNLWGNGA-OALUTQOASA-N 1 0 313.526 4.284 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1cccnn1 ZINC001253565583 1061932484 /nfs/dbraw/zinc/93/24/84/1061932484.db2.gz QBOLJRPQSULLSD-LJQANCHMSA-N 1 0 321.509 4.238 20 30 DIEDRO C=C[C@H](O)C[NH+]1CCC(c2ccc(Oc3ccccc3)cc2)CC1 ZINC001253588240 1061934449 /nfs/dbraw/zinc/93/44/49/1061934449.db2.gz UNHVTDKQTMGSLN-IBGZPJMESA-N 1 0 323.436 4.205 20 30 DIEDRO C#CC[N@H+](Cc1ccc2c(c1)OCCCCO2)C1CCCCC1 ZINC001474339512 1061937331 /nfs/dbraw/zinc/93/73/31/1061937331.db2.gz LAMADJYHKSZDLX-UHFFFAOYSA-N 1 0 313.441 4.006 20 30 DIEDRO C=C[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC001253608230 1061938878 /nfs/dbraw/zinc/93/88/78/1061938878.db2.gz KCFDEOQSAWWPMP-NQIIRXRSSA-N 1 0 303.405 4.066 20 30 DIEDRO CC(C)[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001253768031 1061977345 /nfs/dbraw/zinc/97/73/45/1061977345.db2.gz QMJRALXMJVOKQU-LAUBAEHRSA-N 1 0 322.452 4.138 20 30 DIEDRO COc1cccc(C[N@H+](CC#Cc2ccccc2)CC(C)C)c1 ZINC001474362007 1061987512 /nfs/dbraw/zinc/98/75/12/1061987512.db2.gz DGZVOWWVURYZEH-UHFFFAOYSA-N 1 0 307.437 4.205 20 30 DIEDRO COc1ccc(C2(C[NH2+][C@H](C)CC(C)(C)C#N)CCC2)cc1 ZINC001474385912 1062035206 /nfs/dbraw/zinc/03/52/06/1062035206.db2.gz DSMBHFOYRROEGN-OAHLLOKOSA-N 1 0 300.446 4.035 20 30 DIEDRO C[C@H]([NH2+]CCCCOc1ccccc1)c1ccc(C#N)c(F)c1 ZINC001254214989 1062050817 /nfs/dbraw/zinc/05/08/17/1062050817.db2.gz CAFXVCNPKBJLOB-HNNXBMFYSA-N 1 0 312.388 4.207 20 30 DIEDRO C=CC[N@H+]([C@H]1Cc2ccc(Br)cc2C1)C(C)(C)C ZINC001254286916 1062068353 /nfs/dbraw/zinc/06/83/53/1062068353.db2.gz VRRWHVBYVXDTPV-HNNXBMFYSA-N 1 0 308.263 4.203 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1Br)C(C)C ZINC001459307239 1062078636 /nfs/dbraw/zinc/07/86/36/1062078636.db2.gz RFLVLKADRDFSAG-UHFFFAOYSA-N 1 0 309.251 4.187 20 30 DIEDRO Cc1cc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)ccn1 ZINC001254342004 1062080455 /nfs/dbraw/zinc/08/04/55/1062080455.db2.gz KOGHITUORVJTOC-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccccc2O)CC1 ZINC001254345395 1062081052 /nfs/dbraw/zinc/08/10/52/1062081052.db2.gz ACHGUPYBVBDRJW-UHFFFAOYSA-N 1 0 324.399 4.025 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CCC2CCC2)CC1 ZINC001254347646 1062081322 /nfs/dbraw/zinc/08/13/22/1062081322.db2.gz OEGWYHUYBGMIMU-UHFFFAOYSA-N 1 0 300.421 4.309 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]CCC(F)(F)F)CC1 ZINC001254343033 1062081789 /nfs/dbraw/zinc/08/17/89/1062081789.db2.gz XMQSBAJYEAWSIP-UHFFFAOYSA-N 1 0 314.326 4.072 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1ccoc1 ZINC001254348596 1062082198 /nfs/dbraw/zinc/08/21/98/1062082198.db2.gz TYZKOQOWWJYYPR-FTXHTYHOSA-N 1 0 312.388 4.473 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)C1CCC1 ZINC001254351899 1062083938 /nfs/dbraw/zinc/08/39/38/1062083938.db2.gz ZDPMMELTIAAOAO-FTXHTYHOSA-N 1 0 300.421 4.308 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCCC[C@H](F)C2)CC1 ZINC001254353071 1062084181 /nfs/dbraw/zinc/08/41/81/1062084181.db2.gz OZXVPTFLMJQNJN-VIQWUECVSA-N 1 0 318.411 4.354 20 30 DIEDRO CC[N@H+](CCC1(C#N)CCCCC1)Cc1ccc(OC)cc1 ZINC001459316496 1062084865 /nfs/dbraw/zinc/08/48/65/1062084865.db2.gz XIEUZNDPEGVEEM-UHFFFAOYSA-N 1 0 300.446 4.381 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254353161 1062084961 /nfs/dbraw/zinc/08/49/61/1062084961.db2.gz SOEPARICCHWELY-MNNVXMFVSA-N 1 0 300.421 4.404 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCc3occc3C2)CC1 ZINC001254359245 1062086367 /nfs/dbraw/zinc/08/63/67/1062086367.db2.gz UHXHVGPUXRHPBF-UHFFFAOYSA-N 1 0 324.399 4.181 20 30 DIEDRO C#CC[N@H+](C[C@H]1CC2(CO1)CCCCC2)[C@H]1CCc2ccccc21 ZINC001459345332 1062099599 /nfs/dbraw/zinc/09/95/99/1062099599.db2.gz OGYCMZVZIFXYKX-CTNGQTDRSA-N 1 0 323.480 4.349 20 30 DIEDRO C=CC[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccc(OC)cc1 ZINC001459345888 1062101514 /nfs/dbraw/zinc/10/15/14/1062101514.db2.gz UJDIHUPMDCZALD-AWEZNQCLSA-N 1 0 314.256 4.267 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC001459349508 1062103683 /nfs/dbraw/zinc/10/36/83/1062103683.db2.gz KEGOHRAZEGFNMT-MRXNPFEDSA-N 1 0 308.425 4.458 20 30 DIEDRO CC[N@H+](CCN(C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001459355527 1062108172 /nfs/dbraw/zinc/10/81/72/1062108172.db2.gz XDHUSYOGTGLICD-KRWDZBQOSA-N 1 0 307.441 4.078 20 30 DIEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCc2ccccc2C1 ZINC001459359756 1062110287 /nfs/dbraw/zinc/11/02/87/1062110287.db2.gz ZWXZQFDQMKDYFI-QFIPXVFZSA-N 1 0 321.439 4.447 20 30 DIEDRO CC(C)([NH2+]C1CCc2ccccc2CC1)c1ccc(C#N)cc1 ZINC001254450604 1062110732 /nfs/dbraw/zinc/11/07/32/1062110732.db2.gz ZKOCPJCTIIBOPR-UHFFFAOYSA-N 1 0 304.437 4.331 20 30 DIEDRO CCC[N@H+](CCc1ccc(C#N)cc1)Cc1ccc(F)cc1F ZINC001459375733 1062116018 /nfs/dbraw/zinc/11/60/18/1062116018.db2.gz PNATVKHBPCJZOO-UHFFFAOYSA-N 1 0 314.379 4.291 20 30 DIEDRO N#Cc1cc(C[NH2+]C2CCc3ccccc3CC2)ccc1Cl ZINC001254455253 1062116686 /nfs/dbraw/zinc/11/66/86/1062116686.db2.gz DBIOSAPJEHEPLP-UHFFFAOYSA-N 1 0 310.828 4.249 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](C)c1ccc(OC)cc1 ZINC001459400966 1062128243 /nfs/dbraw/zinc/12/82/43/1062128243.db2.gz SIKZDGIFFYLRAU-QGZVFWFLSA-N 1 0 320.436 4.359 20 30 DIEDRO CC(C)[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC001474456515 1062133715 /nfs/dbraw/zinc/13/37/15/1062133715.db2.gz NAAGAWARPXLXLH-IBGZPJMESA-N 1 0 310.416 4.302 20 30 DIEDRO C=C(C)c1cccc(NC(=O)NC[C@@H](C(CC)CC)[NH+](C)C)c1 ZINC001467476344 1062134259 /nfs/dbraw/zinc/13/42/59/1062134259.db2.gz YMBSHUFYNXEAKQ-SFHVURJKSA-N 1 0 317.477 4.208 20 30 DIEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001474459053 1062138537 /nfs/dbraw/zinc/13/85/37/1062138537.db2.gz RZAXZROWNPUXTE-WMZOPIPTSA-N 1 0 308.400 4.198 20 30 DIEDRO Cc1cccc(C[N@@H+](CCOc2cccc(C#N)c2)CC(C)C)c1 ZINC001459420373 1062138734 /nfs/dbraw/zinc/13/87/34/1062138734.db2.gz SNHBJZXHGYQOBM-UHFFFAOYSA-N 1 0 322.452 4.404 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001459447950 1062148488 /nfs/dbraw/zinc/14/84/88/1062148488.db2.gz KHNINBKVOKXLBT-SJLPKXTDSA-N 1 0 312.457 4.228 20 30 DIEDRO COC1(C[NH2+]Cc2ccc(C#N)c(Cl)c2)CCCCCC1 ZINC001474470469 1062148675 /nfs/dbraw/zinc/14/86/75/1062148675.db2.gz KMTLDTHKRKLOSX-UHFFFAOYSA-N 1 0 306.837 4.041 20 30 DIEDRO C[N@@H+](CC#Cc1ccc(Cl)cc1)CCc1ccccc1F ZINC001459455386 1062150202 /nfs/dbraw/zinc/15/02/02/1062150202.db2.gz RWIAZCTUKMXCRW-UHFFFAOYSA-N 1 0 301.792 4.005 20 30 DIEDRO C=CC[C@@H]1N(C(=O)CCC[NH+](CCC)CCC)CCCC1(C)C ZINC001467609335 1062151672 /nfs/dbraw/zinc/15/16/72/1062151672.db2.gz NPHOBWCPTJZYSR-SFHVURJKSA-N 1 0 322.537 4.482 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001474484115 1062163816 /nfs/dbraw/zinc/16/38/16/1062163816.db2.gz SBNSTNJXMBALHQ-YESZJQIVSA-N 1 0 324.509 4.499 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001459499678 1062170451 /nfs/dbraw/zinc/17/04/51/1062170451.db2.gz BVWMLAORVJPXHC-NRFANRHFSA-N 1 0 320.436 4.337 20 30 DIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC001459520311 1062180498 /nfs/dbraw/zinc/18/04/98/1062180498.db2.gz JCIYLBLRIJPNEU-WBVHZDCISA-N 1 0 323.358 4.201 20 30 DIEDRO C=CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001254569689 1062183553 /nfs/dbraw/zinc/18/35/53/1062183553.db2.gz JUIGJGGWXZVHOJ-HNNXBMFYSA-N 1 0 302.418 4.347 20 30 DIEDRO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)o1 ZINC001459538158 1062192368 /nfs/dbraw/zinc/19/23/68/1062192368.db2.gz FHMGVJXNZVYRMW-RTBURBONSA-N 1 0 324.424 4.110 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600942 1062196933 /nfs/dbraw/zinc/19/69/33/1062196933.db2.gz SMDPLOPKURCMQF-HXUWFJFHSA-N 1 0 322.408 4.140 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001459540078 1062198087 /nfs/dbraw/zinc/19/80/87/1062198087.db2.gz ISFVRUFNFLJZTJ-KRWDZBQOSA-N 1 0 303.421 4.467 20 30 DIEDRO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254646697 1062213207 /nfs/dbraw/zinc/21/32/07/1062213207.db2.gz CFDXHSLSNCVCII-HIFRSBDPSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001254647193 1062214411 /nfs/dbraw/zinc/21/44/11/1062214411.db2.gz RQBXLPPCWVOOEV-HKUYNNGSSA-N 1 0 312.457 4.428 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001254646915 1062214601 /nfs/dbraw/zinc/21/46/01/1062214601.db2.gz DCHIBBQNTJMGGD-GDBMZVCRSA-N 1 0 322.374 4.310 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C1 ZINC001254650293 1062215030 /nfs/dbraw/zinc/21/50/30/1062215030.db2.gz ZDBYCYSVQKCTHH-HOCLYGCPSA-N 1 0 304.384 4.373 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)cc2)C1 ZINC001254644707 1062215357 /nfs/dbraw/zinc/21/53/57/1062215357.db2.gz VFEHIWJNVBSEMN-STCFGPAYSA-N 1 0 318.420 4.197 20 30 DIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254658429 1062218884 /nfs/dbraw/zinc/21/88/84/1062218884.db2.gz WASPOAAPYBEYHS-ZFWWWQNUSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254668621 1062222696 /nfs/dbraw/zinc/22/26/96/1062222696.db2.gz GXCMQHBRTASVPF-BNOWGMLFSA-N 1 0 309.240 4.475 20 30 DIEDRO CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254664989 1062223984 /nfs/dbraw/zinc/22/39/84/1062223984.db2.gz KPSPHKVAAUDYEU-VKRLORBYSA-N 1 0 323.484 4.013 20 30 DIEDRO CC(C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001459585996 1062225868 /nfs/dbraw/zinc/22/58/68/1062225868.db2.gz AHECQOBYDROZEA-AWEZNQCLSA-N 1 0 310.363 4.445 20 30 DIEDRO N#C[C@@H]1CC[C@H](n2cc(C3CC[NH2+]CC3)c3c2cccc3F)C1 ZINC001254674210 1062227695 /nfs/dbraw/zinc/22/76/95/1062227695.db2.gz VPJZALCEQMUSMY-HIFRSBDPSA-N 1 0 311.404 4.112 20 30 DIEDRO CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)[C@@H]1CC[C@H](C#N)C1 ZINC001254674380 1062228112 /nfs/dbraw/zinc/22/81/12/1062228112.db2.gz YEPYRHITURATQU-DQLDELGASA-N 1 0 322.452 4.276 20 30 DIEDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C#N)C3)C2)cc1 ZINC001254679548 1062228922 /nfs/dbraw/zinc/22/89/22/1062228922.db2.gz NQCRZKQPPBQMAE-CGTJXYLNSA-N 1 0 312.457 4.345 20 30 DIEDRO Cc1cccc(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)c1C ZINC001474543830 1062236459 /nfs/dbraw/zinc/23/64/59/1062236459.db2.gz FUKVUPFNXZLCIF-UHFFFAOYSA-N 1 0 304.437 4.491 20 30 DIEDRO C#C[C@H]([NH2+]C1CC2(C1)CCCC2)c1ccc(Br)cc1 ZINC001474545237 1062238979 /nfs/dbraw/zinc/23/89/79/1062238979.db2.gz CGZOPQAUWKWYQE-INIZCTEOSA-N 1 0 318.258 4.436 20 30 DIEDRO CC[C@@H](C)C[N@H+](CC)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001459606161 1062243614 /nfs/dbraw/zinc/24/36/14/1062243614.db2.gz YWLUNDJYRRCZDB-CQSZACIVSA-N 1 0 313.363 4.305 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254761528 1062245418 /nfs/dbraw/zinc/24/54/18/1062245418.db2.gz MZHAMPIOTDVGDV-MRXNPFEDSA-N 1 0 324.509 4.336 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001474550112 1062247446 /nfs/dbraw/zinc/24/74/46/1062247446.db2.gz OLFTUEDWAHFJTA-LLVKDONJSA-N 1 0 315.244 4.266 20 30 DIEDRO CC[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001459617310 1062250691 /nfs/dbraw/zinc/25/06/91/1062250691.db2.gz BLYNBPSQKRAHHI-CQSZACIVSA-N 1 0 311.347 4.059 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccc(Cl)cc1 ZINC001474558331 1062260294 /nfs/dbraw/zinc/26/02/94/1062260294.db2.gz ZXAFXVGXALONLM-SCLBCKFNSA-N 1 0 301.792 4.374 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1)C(C)(C)C ZINC001474562943 1062268939 /nfs/dbraw/zinc/26/89/39/1062268939.db2.gz DWFRUXCSJFOZFZ-MRXNPFEDSA-N 1 0 316.445 4.171 20 30 DIEDRO COc1ccc(C[C@H]2CC[N@@H+]2CCC2(C#N)CCCCC2)cc1 ZINC001459646280 1062277230 /nfs/dbraw/zinc/27/72/30/1062277230.db2.gz AAMRQKYBQNATPC-GOSISDBHSA-N 1 0 312.457 4.176 20 30 DIEDRO CCCCOc1ccccc1C[NH2+]Cc1cccc(OCC#N)c1 ZINC001254963501 1062292864 /nfs/dbraw/zinc/29/28/64/1062292864.db2.gz SLFKRZRAHVDKHB-UHFFFAOYSA-N 1 0 324.424 4.058 20 30 DIEDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1(C)C ZINC001474585198 1062294412 /nfs/dbraw/zinc/29/44/12/1062294412.db2.gz LVXNIMAZTAHYED-GUDVDZBRSA-N 1 0 312.457 4.117 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC001474614672 1062333452 /nfs/dbraw/zinc/33/34/52/1062333452.db2.gz YVQUSBRFWZLLGQ-IUODEOHRSA-N 1 0 304.409 4.346 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC001255164545 1062347638 /nfs/dbraw/zinc/34/76/38/1062347638.db2.gz OAEYDKXSRCUDEE-XHDPSFHLSA-N 1 0 307.235 4.108 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CC1(Cc2cccnc2)CCC(F)(F)CC1 ZINC001255162589 1062349042 /nfs/dbraw/zinc/34/90/42/1062349042.db2.gz UDQIPMFYVWXOLD-INIZCTEOSA-N 1 0 321.415 4.102 20 30 DIEDRO CC[C@H](CC#N)[NH+]1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001255172924 1062349757 /nfs/dbraw/zinc/34/97/57/1062349757.db2.gz HDBIPRNZSGTAQF-CQSZACIVSA-N 1 0 308.828 4.426 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CCc1ccc(CCc2ccccc2)cc1 ZINC001255165563 1062349964 /nfs/dbraw/zinc/34/99/64/1062349964.db2.gz YWJZGFVEZMARKO-NRFANRHFSA-N 1 0 306.453 4.296 20 30 DIEDRO N#Cc1ccc(CC[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC001459736488 1062351105 /nfs/dbraw/zinc/35/11/05/1062351105.db2.gz VMLMAYVACOETNT-UHFFFAOYSA-N 1 0 308.400 4.299 20 30 DIEDRO CC[C@H](CC#N)[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001255176661 1062353457 /nfs/dbraw/zinc/35/34/57/1062353457.db2.gz CWMSNQAVRAZJNS-DLBZAZTESA-N 1 0 300.446 4.345 20 30 DIEDRO CCC(CC)CCC[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001474635168 1062360240 /nfs/dbraw/zinc/36/02/40/1062360240.db2.gz OUGUKTBQDWVOAC-UHFFFAOYSA-N 1 0 301.478 4.272 20 30 DIEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459760474 1062370456 /nfs/dbraw/zinc/37/04/56/1062370456.db2.gz MSZVOUVZNZBLHA-TZMCWYRMSA-N 1 0 312.240 4.248 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCC(C)(C)CC1)CCO2 ZINC001255306623 1062387389 /nfs/dbraw/zinc/38/73/89/1062387389.db2.gz GDOXQHMRMAZZQZ-YLJYHZDGSA-N 1 0 321.505 4.029 20 30 DIEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H](C)CCCC)CC2)C1 ZINC001255321876 1062399644 /nfs/dbraw/zinc/39/96/44/1062399644.db2.gz FBZPWVRLQNECIF-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]2CCCC[C@H]21 ZINC001459805589 1062412781 /nfs/dbraw/zinc/41/27/81/1062412781.db2.gz GZRNOMMIQYJYIL-UHOFOFEASA-N 1 0 320.383 4.170 20 30 DIEDRO C=CCN(Cc1cc(Br)ccc1Cl)C1CC1 ZINC001459814867 1062417917 /nfs/dbraw/zinc/41/79/17/1062417917.db2.gz QNPPYHBNJNWQOO-UHFFFAOYSA-N 1 0 300.627 4.253 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC001474689295 1062418132 /nfs/dbraw/zinc/41/81/32/1062418132.db2.gz OSTKENHDWCKDRH-CYBMUJFWSA-N 1 0 310.388 4.018 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1CCCOc2c(OC)cccc21 ZINC001474687830 1062419737 /nfs/dbraw/zinc/41/97/37/1062419737.db2.gz OEHJTOXYKQQZRW-KRWDZBQOSA-N 1 0 301.430 4.082 20 30 DIEDRO C#CCCCCCC[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC001474692856 1062422180 /nfs/dbraw/zinc/42/21/80/1062422180.db2.gz DQWHDIJFCICYDI-UHFFFAOYSA-N 1 0 318.367 4.293 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)cc1C#N ZINC001474701357 1062430100 /nfs/dbraw/zinc/43/01/00/1062430100.db2.gz IVGXBMVWGBCWKN-UHFFFAOYSA-N 1 0 320.436 4.388 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC001459827632 1062430234 /nfs/dbraw/zinc/43/02/34/1062430234.db2.gz XCNIDOXZSVKRSK-LJQANCHMSA-N 1 0 301.430 4.245 20 30 DIEDRO C=CC[N@H+]([C@@H]1CCCN(Cc2ccccc2)CC1)C(C)(C)C ZINC001255410105 1062445411 /nfs/dbraw/zinc/44/54/11/1062445411.db2.gz QWIQEDGSZIABNJ-LJQANCHMSA-N 1 0 300.490 4.328 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccccc1 ZINC001459853252 1062449541 /nfs/dbraw/zinc/44/95/41/1062449541.db2.gz QXBPBZSYJKLTFN-HXUWFJFHSA-N 1 0 307.437 4.461 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]CCO[C@H](C)C#N)[C@H]1CCC[C@@H](C)C1 ZINC001459851802 1062450599 /nfs/dbraw/zinc/45/05/99/1062450599.db2.gz SPCHUCKGLBCOEW-PHXBYCTMSA-N 1 0 314.473 4.381 20 30 DIEDRO Cc1[nH]c2ccccc2c1SCC[NH2+][C@H](C)CC(C)(C)C#N ZINC001474757857 1062467259 /nfs/dbraw/zinc/46/72/59/1062467259.db2.gz RHFKJDUKDDBURG-CYBMUJFWSA-N 1 0 315.486 4.486 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001255656813 1062503970 /nfs/dbraw/zinc/50/39/70/1062503970.db2.gz CCSTYMZHMMOYLK-ZDUSSCGKSA-N 1 0 310.363 4.154 20 30 DIEDRO [NH2+]=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2ccccc2n1 ZINC001255693156 1062521116 /nfs/dbraw/zinc/52/11/16/1062521116.db2.gz HLPHNKHZVGSNBK-CHWSQXEVSA-N 1 0 321.346 4.061 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@@H]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC001255706946 1062532173 /nfs/dbraw/zinc/53/21/73/1062532173.db2.gz YMJQHHIHYJGVBP-JKSUJKDBSA-N 1 0 308.347 4.037 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)c1ccc(F)c(F)c1 ZINC001459978282 1062540618 /nfs/dbraw/zinc/54/06/18/1062540618.db2.gz DAFCLJYKKGZLHS-YOEHRIQHSA-N 1 0 309.400 4.377 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)c1ccc(F)c(F)c1 ZINC001459978279 1062541072 /nfs/dbraw/zinc/54/10/72/1062541072.db2.gz DAFCLJYKKGZLHS-PBHICJAKSA-N 1 0 309.400 4.377 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@@H](C)CSc2ccc(F)cc2)cc1C ZINC001255736548 1062560956 /nfs/dbraw/zinc/56/09/56/1062560956.db2.gz BIOPZIUTXAIFFO-AWEZNQCLSA-N 1 0 316.445 4.329 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[NH2+]CCCCCCS ZINC001255740003 1062565135 /nfs/dbraw/zinc/56/51/35/1062565135.db2.gz MMBJXWHYAFEJGF-ZDUSSCGKSA-N 1 0 301.496 4.386 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001255745837 1062569950 /nfs/dbraw/zinc/56/99/50/1062569950.db2.gz BJYXOOHNLDEBIV-XOUADPBQSA-N 1 0 304.434 4.073 20 30 DIEDRO C[C@@H](CSc1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001255745171 1062570276 /nfs/dbraw/zinc/57/02/76/1062570276.db2.gz RFSNFXJCSVQRBN-AWEZNQCLSA-N 1 0 314.429 4.310 20 30 DIEDRO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001460024554 1062578358 /nfs/dbraw/zinc/57/83/58/1062578358.db2.gz XBMCQLGHWJNATR-MRXNPFEDSA-N 1 0 324.509 4.358 20 30 DIEDRO Cc1ccc(SC[C@H](C)NC(=[NH2+])c2ccc(C)c(C)c2)cc1 ZINC001255762719 1062584523 /nfs/dbraw/zinc/58/45/23/1062584523.db2.gz WSBUXEVZVVXUON-INIZCTEOSA-N 1 0 312.482 4.498 20 30 DIEDRO C=CC[C@@H]1[N@@H+](C[C@@H](O)c2cccc(Cl)c2)CCCC1(C)C ZINC001460031270 1062586622 /nfs/dbraw/zinc/58/66/22/1062586622.db2.gz RTDUXZMPUWOQAR-SJORKVTESA-N 1 0 307.865 4.440 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2ccc(C(=O)OC)s2)CCCC1(C)C ZINC001460029904 1062587061 /nfs/dbraw/zinc/58/70/61/1062587061.db2.gz NMQZHTDDZXGXTP-OAHLLOKOSA-N 1 0 307.459 4.101 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC001460041533 1062592362 /nfs/dbraw/zinc/59/23/62/1062592362.db2.gz JNOJOKJKZKKEIW-AWEZNQCLSA-N 1 0 300.229 4.413 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001255786218 1062608708 /nfs/dbraw/zinc/60/87/08/1062608708.db2.gz VMRJNDRWFYSNCH-LJQANCHMSA-N 1 0 318.464 4.483 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001460067472 1062612454 /nfs/dbraw/zinc/61/24/54/1062612454.db2.gz CMZWLNINLWEJMH-SFTDATJTSA-N 1 0 305.421 4.042 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001460081062 1062622521 /nfs/dbraw/zinc/62/25/21/1062622521.db2.gz PDNSCNMVVDNKGA-VXGBXAGGSA-N 1 0 310.363 4.491 20 30 DIEDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC001460083333 1062625375 /nfs/dbraw/zinc/62/53/75/1062625375.db2.gz JZLIRWDIJZLDML-UTKZUKDTSA-N 1 0 320.436 4.410 20 30 DIEDRO Cc1ccccc1[C@H](C)[N@@H+](Cc1ccncc1C#N)CC(C)C ZINC001460089374 1062629137 /nfs/dbraw/zinc/62/91/37/1062629137.db2.gz RCTWDWBXPWYVNV-KRWDZBQOSA-N 1 0 307.441 4.481 20 30 DIEDRO CCCC[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCCC[C@H]1OC ZINC001460100894 1062638317 /nfs/dbraw/zinc/63/83/17/1062638317.db2.gz XVPUAIYLAFVZRW-QZTJIDSGSA-N 1 0 318.436 4.257 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCCCCC1)[C@@H]2CC ZINC001255888308 1062659993 /nfs/dbraw/zinc/65/99/93/1062659993.db2.gz FGNBNOXQEMZIEC-QUCCMNQESA-N 1 0 318.505 4.131 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC[C@@H](c3ccccc3F)C2)CCC1 ZINC001460141973 1062660605 /nfs/dbraw/zinc/66/06/05/1062660605.db2.gz KHTOQGQMKRRWTK-MRXNPFEDSA-N 1 0 300.421 4.479 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001460160386 1062669262 /nfs/dbraw/zinc/66/92/62/1062669262.db2.gz IQJJGVIWXGSWFD-VCBZYWHSSA-N 1 0 308.400 4.464 20 30 DIEDRO CCCN(CC[NH+]1CCCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC001460181986 1062684028 /nfs/dbraw/zinc/68/40/28/1062684028.db2.gz UNBLEGODKVDGQZ-SFHVURJKSA-N 1 0 313.489 4.207 20 30 DIEDRO Cc1cc(C(C)(C)[NH2+]CC2(CC#N)CC2)ccc1Br ZINC001460191558 1062689805 /nfs/dbraw/zinc/68/98/05/1062689805.db2.gz YSMLWOOFXYQMTK-UHFFFAOYSA-N 1 0 321.262 4.276 20 30 DIEDRO CC(C)CC1(C)CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001460192838 1062690931 /nfs/dbraw/zinc/69/09/31/1062690931.db2.gz OJCQAYPVHSIMRJ-UHFFFAOYSA-N 1 0 315.417 4.115 20 30 DIEDRO C#CCCCCCC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC001460241725 1062722210 /nfs/dbraw/zinc/72/22/10/1062722210.db2.gz STGAATOKGISBKR-FQEVSTJZSA-N 1 0 311.469 4.424 20 30 DIEDRO COc1cccc(C[C@H](C)[N@H+](CCC#N)Cc2ccccc2)c1 ZINC001256157921 1062735265 /nfs/dbraw/zinc/73/52/65/1062735265.db2.gz YHNBHYKUEIJLAI-KRWDZBQOSA-N 1 0 308.425 4.042 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC001460258963 1062736881 /nfs/dbraw/zinc/73/68/81/1062736881.db2.gz SDQNJOZYGAINMS-LJQANCHMSA-N 1 0 320.436 4.335 20 30 DIEDRO C[N@H+](CCOc1ccccc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001460268544 1062744953 /nfs/dbraw/zinc/74/49/53/1062744953.db2.gz ZYNJYXZRLFIYBQ-IAGOWNOFSA-N 1 0 300.446 4.084 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001460267836 1062745201 /nfs/dbraw/zinc/74/52/01/1062745201.db2.gz WRMIURGSNLSWHJ-HZPDHXFCSA-N 1 0 315.417 4.113 20 30 DIEDRO CCc1ccc(C[N@H+](CCCSCC#N)CC(C)C)cc1 ZINC001460278991 1062749830 /nfs/dbraw/zinc/74/98/30/1062749830.db2.gz PWOSSYNTBQKNTM-UHFFFAOYSA-N 1 0 304.503 4.354 20 30 DIEDRO C#C[C@](C)(CC)[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001256220837 1062753870 /nfs/dbraw/zinc/75/38/70/1062753870.db2.gz QIKMBYXINDCWMC-CZUORRHYSA-N 1 0 308.263 4.162 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001460334154 1062785633 /nfs/dbraw/zinc/78/56/33/1062785633.db2.gz OANZQWMVQIOYBK-CABCVRRESA-N 1 0 308.400 4.420 20 30 DIEDRO CC(C)CC[C@@H](C)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001256371230 1062791103 /nfs/dbraw/zinc/79/11/03/1062791103.db2.gz LVGVWYRUXDVCJA-MRXNPFEDSA-N 1 0 300.446 4.226 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](CC)C(=O)Nc2ccc(C)cc2)C1 ZINC001460359967 1062806831 /nfs/dbraw/zinc/80/68/31/1062806831.db2.gz IPLUHODXAIKFTG-SJLPKXTDSA-N 1 0 300.446 4.000 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC001460406625 1062834476 /nfs/dbraw/zinc/83/44/76/1062834476.db2.gz DFSBBDCLVJGFOS-ZBFHGGJFSA-N 1 0 320.864 4.393 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC001460406620 1062836776 /nfs/dbraw/zinc/83/67/76/1062836776.db2.gz DFSBBDCLVJGFOS-GDBMZVCRSA-N 1 0 320.864 4.393 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCc3ccccc3C(C)(C)C2)cc1C#N ZINC001460402366 1062837165 /nfs/dbraw/zinc/83/71/65/1062837165.db2.gz CQKYROMKPPVQKC-UHFFFAOYSA-N 1 0 304.437 4.203 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001460410312 1062838794 /nfs/dbraw/zinc/83/87/94/1062838794.db2.gz NYAASFHNDGRPCO-CRAIPNDOSA-N 1 0 323.440 4.074 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)(C)C ZINC001256491091 1062840052 /nfs/dbraw/zinc/84/00/52/1062840052.db2.gz VOODKVLBBZQRBM-GJZGRUSLSA-N 1 0 310.482 4.061 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529556 1062856555 /nfs/dbraw/zinc/85/65/55/1062856555.db2.gz VHSMRZOHSFQKNN-LPHOPBHVSA-N 1 0 312.432 4.326 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C(C)(C)C ZINC001460463174 1062866327 /nfs/dbraw/zinc/86/63/27/1062866327.db2.gz VSIOQGMXZTWWHC-UHFFFAOYSA-N 1 0 301.352 4.414 20 30 DIEDRO CCCCCCC[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC001460472604 1062868477 /nfs/dbraw/zinc/86/84/77/1062868477.db2.gz WTJBHCMSKUIFGB-UHFFFAOYSA-N 1 0 324.490 4.080 20 30 DIEDRO C=C(C)C[N@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC001460479793 1062872120 /nfs/dbraw/zinc/87/21/20/1062872120.db2.gz YYQNACZELKNQSW-UHFFFAOYSA-N 1 0 301.352 4.372 20 30 DIEDRO C=C(Cl)C[N@@H+]([C@@H](CC)CO)C1CCC(C(C)(C)C)CC1 ZINC001460497002 1062884807 /nfs/dbraw/zinc/88/48/07/1062884807.db2.gz CSLKJONQEVHPPN-PCKAHOCUSA-N 1 0 301.902 4.417 20 30 DIEDRO CCCCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001471314816 1062961403 /nfs/dbraw/zinc/96/14/03/1062961403.db2.gz MHLPVCXNBFWGSN-IBGZPJMESA-N 1 0 316.489 4.046 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256806836 1062994760 /nfs/dbraw/zinc/99/47/60/1062994760.db2.gz JZKNBJRDWBOBSC-SFTDATJTSA-N 1 0 320.436 4.323 20 30 DIEDRO C=C(Br)C[N@H+]1CC[C@H](c2ccc(C)cc2)C1(C)C ZINC001460696537 1062997278 /nfs/dbraw/zinc/99/72/78/1062997278.db2.gz NLJDLFRTTUFHKY-OAHLLOKOSA-N 1 0 308.263 4.472 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(CCc3ccccc3)CC2)c1 ZINC001460786351 1063056535 /nfs/dbraw/zinc/05/65/35/1063056535.db2.gz GJRNDDKIQZIKHE-UHFFFAOYSA-N 1 0 304.437 4.403 20 30 DIEDRO N#CC1CCC([NH2+]C2(c3ccccc3Br)CC2)CC1 ZINC001256958765 1063057825 /nfs/dbraw/zinc/05/78/25/1063057825.db2.gz OETFMNXTQYMYBK-UHFFFAOYSA-N 1 0 319.246 4.110 20 30 DIEDRO N#CC1CCC([NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC1 ZINC001256957842 1063058356 /nfs/dbraw/zinc/05/83/56/1063058356.db2.gz ICKHSDFUQSQUEU-UHFFFAOYSA-N 1 0 308.347 4.366 20 30 DIEDRO N#CC1CCC([NH2+]CCCc2ccc(Br)cc2)CC1 ZINC001256955316 1063058452 /nfs/dbraw/zinc/05/84/52/1063058452.db2.gz SMGRIASSFCCEAW-UHFFFAOYSA-N 1 0 321.262 4.054 20 30 DIEDRO CCCCCCOC(=O)CCCCC[NH2+]C1CCC(C#N)CC1 ZINC001256959407 1063058478 /nfs/dbraw/zinc/05/84/78/1063058478.db2.gz DDSSUDUAZJUTIT-UHFFFAOYSA-N 1 0 322.493 4.342 20 30 DIEDRO N#CC1CCC([NH2+]CC2(Cc3cccc(F)c3)CCC2)CC1 ZINC001256962317 1063061267 /nfs/dbraw/zinc/06/12/67/1063061267.db2.gz HOJSFBNGKPRBAA-UHFFFAOYSA-N 1 0 300.421 4.210 20 30 DIEDRO N#CC1CCC([N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001256967074 1063061504 /nfs/dbraw/zinc/06/15/04/1063061504.db2.gz UGRHJCDVGMKOTC-WDQDQHCCSA-N 1 0 324.468 4.107 20 30 DIEDRO N#CC1CCC([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001256962678 1063061802 /nfs/dbraw/zinc/06/18/02/1063061802.db2.gz SWODKQILERXEPS-UHFFFAOYSA-N 1 0 318.848 4.018 20 30 DIEDRO N#CC1CCC([NH+]2CCC(Oc3cccc(Cl)c3)CC2)CC1 ZINC001256969061 1063062011 /nfs/dbraw/zinc/06/20/11/1063062011.db2.gz YZIMOVQIXMNHSV-UHFFFAOYSA-N 1 0 318.848 4.266 20 30 DIEDRO N#CC1CCC([NH2+][C@H](c2ncccc2C(F)(F)F)C2CC2)CC1 ZINC001256962570 1063062924 /nfs/dbraw/zinc/06/29/24/1063062924.db2.gz OXPXCBKLESYJFF-HGMXIMQMSA-N 1 0 323.362 4.223 20 30 DIEDRO N#CC1CCC(n2cc(CC[NH3+])c3ccc(Cl)cc32)CC1 ZINC001256962232 1063062943 /nfs/dbraw/zinc/06/29/43/1063062943.db2.gz DJHBMCMHWVVUTA-UHFFFAOYSA-N 1 0 301.821 4.051 20 30 DIEDRO N#CC1CCC([NH+]2CCC(Oc3ccc(Cl)cc3)CC2)CC1 ZINC001256964340 1063062997 /nfs/dbraw/zinc/06/29/97/1063062997.db2.gz VEUIVNVTVDDPDJ-UHFFFAOYSA-N 1 0 318.848 4.266 20 30 DIEDRO N#CC1CCC([N@H+]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001256971121 1063064722 /nfs/dbraw/zinc/06/47/22/1063064722.db2.gz JPCHBGDKEHWAAR-UHFFFAOYSA-N 1 0 309.240 4.434 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001472267254 1063064839 /nfs/dbraw/zinc/06/48/39/1063064839.db2.gz HAZSLLFZVGUCRN-UXHICEINSA-N 1 0 320.436 4.004 20 30 DIEDRO N#CCC[N@@H+](Cc1ccc(Cl)cc1)C1CCC(C#N)CC1 ZINC001256971101 1063065845 /nfs/dbraw/zinc/06/58/45/1063065845.db2.gz BMCVIWUDGZSNKA-UHFFFAOYSA-N 1 0 301.821 4.138 20 30 DIEDRO COc1cccc(C[C@H]2CCC[N@@H+](C3CCC(C#N)CC3)C2)c1 ZINC001256972394 1063066318 /nfs/dbraw/zinc/06/63/18/1063066318.db2.gz XSUYWXRBONASIF-CUYAVPTFSA-N 1 0 312.457 4.032 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCc3cccs3)CC2)cc1 ZINC001257009034 1063076654 /nfs/dbraw/zinc/07/66/54/1063076654.db2.gz SRLDKIRFTOMFOJ-UHFFFAOYSA-N 1 0 310.466 4.478 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]Cc3cccc(C#N)c3)CC2)cc1 ZINC001257009209 1063077405 /nfs/dbraw/zinc/07/74/05/1063077405.db2.gz WTRXKVBKCTWANS-UHFFFAOYSA-N 1 0 315.420 4.246 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)nc1 ZINC001257010296 1063078794 /nfs/dbraw/zinc/07/87/94/1063078794.db2.gz XEBZINUGDDQHPH-UHFFFAOYSA-N 1 0 305.425 4.078 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCc4ncccc43)CC2)cc1 ZINC001257012986 1063079989 /nfs/dbraw/zinc/07/99/89/1063079989.db2.gz VGHWDMPLWCPGIH-WIXQSORDSA-N 1 0 317.436 4.257 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCOC3CCCC3)CC2)cc1 ZINC001257012559 1063080196 /nfs/dbraw/zinc/08/01/96/1063080196.db2.gz JJWOSEUGUXNONY-UHFFFAOYSA-N 1 0 312.457 4.133 20 30 DIEDRO N#Cc1ccc(C2CCC([NH+]3CCC(F)(F)CC3)CC2)cc1 ZINC001257016105 1063080460 /nfs/dbraw/zinc/08/04/60/1063080460.db2.gz VAKQCTOFTWCZEP-UHFFFAOYSA-N 1 0 304.384 4.316 20 30 DIEDRO C[N@H+](CCc1ccccn1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015820 1063081315 /nfs/dbraw/zinc/08/13/15/1063081315.db2.gz OFOIVLLDUBQECJ-UHFFFAOYSA-N 1 0 319.452 4.154 20 30 DIEDRO C[N@H+](Cc1ccncc1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257017414 1063081752 /nfs/dbraw/zinc/08/17/52/1063081752.db2.gz TUJPVZVTEGCZJV-UHFFFAOYSA-N 1 0 305.425 4.111 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@H]4CCCO[C@@H]4C3)CC2)cc1 ZINC001257017711 1063082232 /nfs/dbraw/zinc/08/22/32/1063082232.db2.gz YRJUTDGMROKSQZ-GOLJUSPKSA-N 1 0 324.468 4.085 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@@H]4CCCO[C@@H]4C3)CC2)cc1 ZINC001257017713 1063084562 /nfs/dbraw/zinc/08/45/62/1063084562.db2.gz YRJUTDGMROKSQZ-KWJLTHHISA-N 1 0 324.468 4.085 20 30 DIEDRO CC(C)O[C@@H]1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257018705 1063085429 /nfs/dbraw/zinc/08/54/29/1063085429.db2.gz BZWLAACGDIDSOC-SOAGJPPSSA-N 1 0 312.457 4.084 20 30 DIEDRO CCO[C@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257021316 1063085814 /nfs/dbraw/zinc/08/58/14/1063085814.db2.gz SGSLLMVUOWWRHH-MHJFOBGBSA-N 1 0 312.457 4.085 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001257021519 1063086057 /nfs/dbraw/zinc/08/60/57/1063086057.db2.gz VJKWQLKDWJZDQP-AQFXKWCLSA-N 1 0 322.374 4.469 20 30 DIEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001460870533 1063109774 /nfs/dbraw/zinc/10/97/74/1063109774.db2.gz LMTARROCURILCE-MRXNPFEDSA-N 1 0 302.468 4.278 20 30 DIEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001460872175 1063111933 /nfs/dbraw/zinc/11/19/33/1063111933.db2.gz QYKRMJNRSYSPKO-SFHVURJKSA-N 1 0 314.429 4.356 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNc1nc2cc(C)ccc2o1)C(C)C ZINC001472652848 1063121849 /nfs/dbraw/zinc/12/18/49/1063121849.db2.gz URHGVQWBIILCAL-QGZVFWFLSA-N 1 0 313.445 4.247 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001257142861 1063122997 /nfs/dbraw/zinc/12/29/97/1063122997.db2.gz NWKATZAZVJEMHB-IAGOWNOFSA-N 1 0 324.509 4.453 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@H](O)c1ccc(Cl)cc1Cl ZINC001460901404 1063126115 /nfs/dbraw/zinc/12/61/15/1063126115.db2.gz PTTARMASFGNDPK-HNNXBMFYSA-N 1 0 302.245 4.315 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001460902280 1063127154 /nfs/dbraw/zinc/12/71/54/1063127154.db2.gz UBOQQCYNMGAARZ-QGZVFWFLSA-N 1 0 324.509 4.312 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1 ZINC001257204724 1063137985 /nfs/dbraw/zinc/13/79/85/1063137985.db2.gz LQZABKQXKGQJID-SJORKVTESA-N 1 0 324.509 4.309 20 30 DIEDRO CC(C)[NH+]1CCC(N(CCC#N)C2CCCCCCC2)CC1 ZINC001257219951 1063146656 /nfs/dbraw/zinc/14/66/56/1063146656.db2.gz KWHYAMDPKMPQRQ-UHFFFAOYSA-N 1 0 305.510 4.188 20 30 DIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H](CC)CCC)CC2 ZINC001257255897 1063162998 /nfs/dbraw/zinc/16/29/98/1063162998.db2.gz BUJYKALOZORMSB-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H](CC)CCC)CC2)C1 ZINC001257256593 1063163700 /nfs/dbraw/zinc/16/37/00/1063163700.db2.gz JRHXYAOHPJBNSG-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[NH2+]CC3(C#N)CCC3)ccc2c1 ZINC001257271007 1063173777 /nfs/dbraw/zinc/17/37/77/1063173777.db2.gz STMYMAYFFZPRTN-INIZCTEOSA-N 1 0 322.452 4.453 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC001460998772 1063175441 /nfs/dbraw/zinc/17/54/41/1063175441.db2.gz CINVWMICKMMQOR-UHFFFAOYSA-N 1 0 301.817 4.237 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC001460999283 1063175712 /nfs/dbraw/zinc/17/57/12/1063175712.db2.gz LVBFDTPIPUWGKA-UHFFFAOYSA-N 1 0 312.844 4.473 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[NH2+]CCCS)ccc2c1 ZINC001257276224 1063178121 /nfs/dbraw/zinc/17/81/21/1063178121.db2.gz XXZPUSMTQFOMDM-AWEZNQCLSA-N 1 0 303.471 4.079 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCN(CC)c2cccc(C)c2)c1 ZINC001461003346 1063178768 /nfs/dbraw/zinc/17/87/68/1063178768.db2.gz HAFPMYWJTYETCJ-UHFFFAOYSA-N 1 0 324.468 4.176 20 30 DIEDRO CC(C)C(C[NH2+]CCSCc1ccccc1C#N)C(C)C ZINC001461005661 1063179989 /nfs/dbraw/zinc/17/99/89/1063179989.db2.gz BFJKKKAJGCJQTJ-UHFFFAOYSA-N 1 0 304.503 4.309 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nnc([C@H]2C[C@H]2c2ccc(C)cc2)o1 ZINC001257289085 1063180970 /nfs/dbraw/zinc/18/09/70/1063180970.db2.gz OFWZRCJHJDFQTG-ROUUACIJSA-N 1 0 323.440 4.148 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](C)CCCCCC)C2 ZINC001257369938 1063237198 /nfs/dbraw/zinc/23/71/98/1063237198.db2.gz XLFQGBCEJAQLKT-QYZOEREBSA-N 1 0 309.494 4.171 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC001461126706 1063278072 /nfs/dbraw/zinc/27/80/72/1063278072.db2.gz CSTMAUCWGHEIGQ-LSDHHAIUSA-N 1 0 305.849 4.268 20 30 DIEDRO CC[C@@H](C)[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001257442273 1063279249 /nfs/dbraw/zinc/27/92/49/1063279249.db2.gz FSPSXSMDEWEDSG-CYBMUJFWSA-N 1 0 321.262 4.105 20 30 DIEDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001461139788 1063288603 /nfs/dbraw/zinc/28/86/03/1063288603.db2.gz VJIFTWBPDKDRSZ-HXUWFJFHSA-N 1 0 304.437 4.353 20 30 DIEDRO C=C(C[NH2+]Cc1cn(-c2ccccc2F)nc1C)c1ccccc1 ZINC001461153362 1063295736 /nfs/dbraw/zinc/29/57/36/1063295736.db2.gz CFOODDWLJMJZCI-UHFFFAOYSA-N 1 0 321.399 4.123 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@@H](C)CC[C@H](C)CCC)C2)C1=O ZINC001257477412 1063297562 /nfs/dbraw/zinc/29/75/62/1063297562.db2.gz JLIYUPOMRIXOKU-HBFSDRIKSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCN1CCC([NH2+]Cc2ccc3oc4ccccc4c3c2)CC1 ZINC001461161542 1063301937 /nfs/dbraw/zinc/30/19/37/1063301937.db2.gz RNGCJAYMZSQVRC-UHFFFAOYSA-N 1 0 320.436 4.326 20 30 DIEDRO C=CCc1cc(C[NH2+]C2CCC3(CC3)CC2)cc(OC)c1OC ZINC001461180530 1063315690 /nfs/dbraw/zinc/31/56/90/1063315690.db2.gz MNBLBMMKVCWOAC-UHFFFAOYSA-N 1 0 315.457 4.245 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCCCC)[C@H]2CC ZINC001257513974 1063323938 /nfs/dbraw/zinc/32/39/38/1063323938.db2.gz ZPWSMLCCMBCBGF-BJLQDIEVSA-N 1 0 320.521 4.377 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001257550305 1063331130 /nfs/dbraw/zinc/33/11/30/1063331130.db2.gz LWIGGUJTEXEQNM-QGZVFWFLSA-N 1 0 324.509 4.480 20 30 DIEDRO CCCCCCCCCC[C@H](C)[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001257550438 1063331682 /nfs/dbraw/zinc/33/16/82/1063331682.db2.gz OFASUKUSVZVDKB-PKOBYXMFSA-N 1 0 308.510 4.118 20 30 DIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001257555093 1063334776 /nfs/dbraw/zinc/33/47/76/1063334776.db2.gz ZXWXTIHKXMRQTP-DUVNUKRYSA-N 1 0 321.262 4.052 20 30 DIEDRO CCCC[N@H+](CCC#N)[C@H](C)Cc1ccc(Br)cc1 ZINC001257564416 1063339963 /nfs/dbraw/zinc/33/99/63/1063339963.db2.gz LIHKMUCOYXZOIK-CQSZACIVSA-N 1 0 323.278 4.396 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(OC)cc1Cl)c1ccncc1 ZINC001461216081 1063341310 /nfs/dbraw/zinc/34/13/10/1063341310.db2.gz BGLFHSRQWJIFCJ-KRWDZBQOSA-N 1 0 302.805 4.151 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257592336 1063348491 /nfs/dbraw/zinc/34/84/91/1063348491.db2.gz JXSXSYWNAPUNNV-BJWYYQGGSA-N 1 0 324.509 4.451 20 30 DIEDRO COc1cc(C[NH2+]CC2(Cc3ccccc3)CCC2)ccc1C#N ZINC001461318520 1063414521 /nfs/dbraw/zinc/41/45/21/1063414521.db2.gz YBJOQBVHQBUXEI-UHFFFAOYSA-N 1 0 320.436 4.069 20 30 DIEDRO CCCCCCCC[N@H+](CCN)C1CCC(OC(C)C)CC1 ZINC001257874125 1063415381 /nfs/dbraw/zinc/41/53/81/1063415381.db2.gz JJWVMIZDYUFQTJ-UHFFFAOYSA-N 1 0 312.542 4.344 20 30 DIEDRO N#Cc1cccc(OCCC[N@H+](CC2CCCCC2)C2CC2)c1 ZINC001473114204 1063416110 /nfs/dbraw/zinc/41/61/10/1063416110.db2.gz XFWKZCNUZABFSG-UHFFFAOYSA-N 1 0 312.457 4.372 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1F)C[C@H](Cc1ccccc1)OC ZINC001473118845 1063423105 /nfs/dbraw/zinc/42/31/05/1063423105.db2.gz XJPGVEFRQBQLFF-IBGZPJMESA-N 1 0 313.416 4.071 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cccnc3Br)C[C@H](C1)C2 ZINC001257887489 1063424285 /nfs/dbraw/zinc/42/42/85/1063424285.db2.gz AFFYDQHBLIFUGJ-NNQSOWQGSA-N 1 0 321.262 4.069 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccc(C(F)(F)F)cn3)C[C@H](C1)C2 ZINC001257887280 1063424528 /nfs/dbraw/zinc/42/45/28/1063424528.db2.gz ZYJZIEGYIOKIIL-OCZCAGDBSA-N 1 0 310.363 4.325 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H]3CCOc4ccc(OC)cc43)C[C@H](C1)C2 ZINC001257887839 1063426197 /nfs/dbraw/zinc/42/61/97/1063426197.db2.gz MHSZWUUNJOKXTH-IEBWDACRSA-N 1 0 313.441 4.243 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](c3ncccc3OC)C3CC3)C[C@H](C1)C2 ZINC001257890341 1063427604 /nfs/dbraw/zinc/42/76/04/1063427604.db2.gz VFRZNXPQGNQFIU-GHJKTUIPSA-N 1 0 312.457 4.266 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](c3ccccc3)c3cccnn3)C[C@H](C1)C2 ZINC001257890364 1063428220 /nfs/dbraw/zinc/42/82/20/1063428220.db2.gz VTFAQDNTNAUEEW-LLZRPDQQSA-N 1 0 319.452 4.291 20 30 DIEDRO C=C1C[C@@H]2CC([NH+]3CCC(Oc4ccccn4)CC3)C[C@H](C1)C2 ZINC001257892865 1063431169 /nfs/dbraw/zinc/43/11/69/1063431169.db2.gz HSUIFCVEHJKLNZ-JWTNVVGKSA-N 1 0 312.457 4.060 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3CCCC[C@@H]3CN3CCCC3)C[C@H](C1)C2 ZINC001257893033 1063431195 /nfs/dbraw/zinc/43/11/95/1063431195.db2.gz KWZXVXBGLXYVTD-BMHONFFRSA-N 1 0 302.506 4.072 20 30 DIEDRO C=C1C[C@@H]2CC([N@H+]3CCCC[C@H]3c3noc(C)n3)C[C@H](C1)C2 ZINC001257892714 1063431329 /nfs/dbraw/zinc/43/13/29/1063431329.db2.gz BONOMVXORLAXPX-WFVVYAPDSA-N 1 0 301.434 4.040 20 30 DIEDRO C=C1C[C@@H]2CC([NH+]3Cc4cc(OC)c(OC)cc4C3)C[C@H](C1)C2 ZINC001257894175 1063431353 /nfs/dbraw/zinc/43/13/53/1063431353.db2.gz MJMNGVNGRFVNKF-MVVMVCHASA-N 1 0 313.441 4.154 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccccc1 ZINC001461363486 1063445179 /nfs/dbraw/zinc/44/51/79/1063445179.db2.gz HWKBHHJPKBFPFW-GOSISDBHSA-N 1 0 305.425 4.370 20 30 DIEDRO C=C(C)CC[N@@H+](CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001473151031 1063457244 /nfs/dbraw/zinc/45/72/44/1063457244.db2.gz CXJTUAOHKPCPLZ-FQEVSTJZSA-N 1 0 300.490 4.329 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001546268367 1063466666 /nfs/dbraw/zinc/46/66/66/1063466666.db2.gz BQFSEXKLSFNGNX-JUWLWVHDSA-N 1 0 308.510 4.234 20 30 DIEDRO C=CC[N@@H+](C[C@@H](O)[C@@H](C)c1ccccc1)CC1CCCCC1 ZINC001473164592 1063468896 /nfs/dbraw/zinc/46/88/96/1063468896.db2.gz XXYAGKZOTONVPG-FXAWDEMLSA-N 1 0 301.474 4.219 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC001258040886 1063472001 /nfs/dbraw/zinc/47/20/01/1063472001.db2.gz JOOMXUKXICLYTD-KPFFTGBYSA-N 1 0 316.489 4.345 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001473169176 1063472960 /nfs/dbraw/zinc/47/29/60/1063472960.db2.gz ZAGNEQMHEMUQET-NRFANRHFSA-N 1 0 320.436 4.337 20 30 DIEDRO CCCCCCC[C@H](C)n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001258038997 1063473034 /nfs/dbraw/zinc/47/30/34/1063473034.db2.gz IWPQPQDQAKYLSB-INIZCTEOSA-N 1 0 314.477 4.368 20 30 DIEDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001473169178 1063473033 /nfs/dbraw/zinc/47/30/33/1063473033.db2.gz ZAGNEQMHEMUQET-OAQYLSRUSA-N 1 0 320.436 4.337 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]CCNC(=O)Nc1ccccc1 ZINC001258039631 1063473305 /nfs/dbraw/zinc/47/33/05/1063473305.db2.gz VABAICREKCHKFQ-MRXNPFEDSA-N 1 0 305.466 4.147 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(C(=O)C2CCC2)CC1 ZINC001258041525 1063474305 /nfs/dbraw/zinc/47/43/05/1063474305.db2.gz VNYJEHSKYOBKCP-MRXNPFEDSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC001258043096 1063475060 /nfs/dbraw/zinc/47/50/60/1063475060.db2.gz IVPHRXASBQYYEE-ZDUSSCGKSA-N 1 0 305.388 4.284 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](CC(=O)OC)c1ccccn1 ZINC001258041329 1063475089 /nfs/dbraw/zinc/47/50/89/1063475089.db2.gz RNJALNXQSHJPDO-RDJZCZTQSA-N 1 0 306.450 4.024 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001258042746 1063475236 /nfs/dbraw/zinc/47/52/36/1063475236.db2.gz XIDIATPNXFAUHL-QGZVFWFLSA-N 1 0 323.525 4.005 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001258041354 1063475473 /nfs/dbraw/zinc/47/54/73/1063475473.db2.gz RXKJHFVJTIGMPX-SFHVURJKSA-N 1 0 317.521 4.385 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](CC(=O)OC)c1ccc(O)cc1 ZINC001258041483 1063475860 /nfs/dbraw/zinc/47/58/60/1063475860.db2.gz UMHQYGMQEWKYLC-QAPCUYQASA-N 1 0 321.461 4.335 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C2CC2)CC1 ZINC001258044240 1063478864 /nfs/dbraw/zinc/47/88/64/1063478864.db2.gz ZNOVBIRWLWLPMR-KBAYOESNSA-N 1 0 308.510 4.162 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC001473173507 1063479510 /nfs/dbraw/zinc/47/95/10/1063479510.db2.gz LPQLYVRWJYHNIA-RDTXWAMCSA-N 1 0 324.399 4.084 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)o1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001473176099 1063481988 /nfs/dbraw/zinc/48/19/88/1063481988.db2.gz RQZUEUWBUKSZHC-MSOLQXFVSA-N 1 0 316.445 4.101 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001258049271 1063482107 /nfs/dbraw/zinc/48/21/07/1063482107.db2.gz CXKIMIAWMGIYDC-KRWDZBQOSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2)[C@@H]1CC ZINC001258048364 1063482500 /nfs/dbraw/zinc/48/25/00/1063482500.db2.gz UDKXBVHVHPUOFP-LNLFQRSKSA-N 1 0 308.510 4.259 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001258047529 1063482559 /nfs/dbraw/zinc/48/25/59/1063482559.db2.gz LSJVJEZUGFIJCD-IHPCNDPISA-N 1 0 323.521 4.395 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC001258047904 1063482720 /nfs/dbraw/zinc/48/27/20/1063482720.db2.gz ONASEOMNMPFECG-KRWDZBQOSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001258048948 1063482729 /nfs/dbraw/zinc/48/27/29/1063482729.db2.gz ZOYPCHBEKUFDKL-OTWHNJEPSA-N 1 0 322.537 4.314 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC001258047532 1063482969 /nfs/dbraw/zinc/48/29/69/1063482969.db2.gz LSMZPTQYFVRFFX-JXFKEZNVSA-N 1 0 314.473 4.331 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)o1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001473176102 1063483482 /nfs/dbraw/zinc/48/34/82/1063483482.db2.gz RQZUEUWBUKSZHC-ZWKOTPCHSA-N 1 0 316.445 4.101 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]CC1(O)CCOCC1 ZINC001258051201 1063485556 /nfs/dbraw/zinc/48/55/56/1063485556.db2.gz CFJHIFKMXSXEPD-GOSISDBHSA-N 1 0 313.526 4.427 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC001258052797 1063485726 /nfs/dbraw/zinc/48/57/26/1063485726.db2.gz SIMNZAQRYVLLKS-MSOLQXFVSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001473184643 1063491991 /nfs/dbraw/zinc/49/19/91/1063491991.db2.gz LFTVUYHTGOUIIA-IBGZPJMESA-N 1 0 316.489 4.241 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H](C)C[C@H](C)CC(C)C)CC2 ZINC001258066395 1063493991 /nfs/dbraw/zinc/49/39/91/1063493991.db2.gz PZZIPFLRKWVQCM-QZTJIDSGSA-N 1 0 320.521 4.090 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001461437714 1063504767 /nfs/dbraw/zinc/50/47/67/1063504767.db2.gz TWJHTWVKHZSPKD-NHCUHLMSSA-N 1 0 319.448 4.200 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H](C)CCC=C(C)C)CCO2 ZINC001258095013 1063517617 /nfs/dbraw/zinc/51/76/17/1063517617.db2.gz WWBKKBMXVXXFAN-SLFFLAALSA-N 1 0 321.505 4.195 20 30 DIEDRO C=CCCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001461485869 1063530906 /nfs/dbraw/zinc/53/09/06/1063530906.db2.gz ZTHLDFXGMLEQLM-UHFFFAOYSA-N 1 0 300.471 4.440 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C/C=C/c2ccc(F)cc2F)cc1 ZINC001461493979 1063536985 /nfs/dbraw/zinc/53/69/85/1063536985.db2.gz KPUMEUHBFCYVOV-ONEGZZNKSA-N 1 0 315.363 4.333 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(CC=C)CCCC2)cc1OC ZINC001461500503 1063541826 /nfs/dbraw/zinc/54/18/26/1063541826.db2.gz NJZFMONDARJHNF-UHFFFAOYSA-N 1 0 315.457 4.486 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001546327374 1063542870 /nfs/dbraw/zinc/54/28/70/1063542870.db2.gz OFLPUHHWFLJISK-ZWKOTPCHSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001546327372 1063543583 /nfs/dbraw/zinc/54/35/83/1063543583.db2.gz OFLPUHHWFLJISK-QZTJIDSGSA-N 1 0 308.510 4.070 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC001461520133 1063552548 /nfs/dbraw/zinc/55/25/48/1063552548.db2.gz HZUKVYHDHGSHJE-RTWAWAEBSA-N 1 0 307.437 4.485 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]C1CCN(C(=O)OC)CC1 ZINC001258230664 1063567512 /nfs/dbraw/zinc/56/75/12/1063567512.db2.gz ADXGXRBOURYMCM-INIZCTEOSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001258227990 1063567780 /nfs/dbraw/zinc/56/77/80/1063567780.db2.gz CAQZDWXIVQJFFL-JYJNAYRXSA-N 1 0 300.487 4.025 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001258229515 1063568192 /nfs/dbraw/zinc/56/81/92/1063568192.db2.gz QSKRMSLGBKYSLH-QGZVFWFLSA-N 1 0 308.510 4.118 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(Br)c1OC ZINC001461539441 1063568517 /nfs/dbraw/zinc/56/85/17/1063568517.db2.gz LBTAXJMMTZFJMT-UHFFFAOYSA-N 1 0 312.251 4.150 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC001258230733 1063570570 /nfs/dbraw/zinc/57/05/70/1063570570.db2.gz BKQNWEGKYGXWAK-MRXNPFEDSA-N 1 0 304.478 4.404 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001258230659 1063570844 /nfs/dbraw/zinc/57/08/44/1063570844.db2.gz ZZXNCHJPSYZGCP-WMZOPIPTSA-N 1 0 321.509 4.153 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001258232295 1063571079 /nfs/dbraw/zinc/57/10/79/1063571079.db2.gz JAMOIQYXTGJQCL-QGZVFWFLSA-N 1 0 310.526 4.458 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]Cc1cn(CCOC)cn1 ZINC001258231452 1063571723 /nfs/dbraw/zinc/57/17/23/1063571723.db2.gz OLYYUDAMPVQNTA-QGZVFWFLSA-N 1 0 309.498 4.148 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001258232159 1063572034 /nfs/dbraw/zinc/57/20/34/1063572034.db2.gz ZXKWJPHFSAVBIR-QZTJIDSGSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001258232381 1063572135 /nfs/dbraw/zinc/57/21/35/1063572135.db2.gz PNDGXNWBJJMBBD-IPMKNSEASA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001258230657 1063572219 /nfs/dbraw/zinc/57/22/19/1063572219.db2.gz ZZXNCHJPSYZGCP-FUHWJXTLSA-N 1 0 321.509 4.153 20 30 DIEDRO CCCCCCCCC[C@H](C)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001258230867 1063572707 /nfs/dbraw/zinc/57/27/07/1063572707.db2.gz CYSYFRSIBLPTFQ-HNNXBMFYSA-N 1 0 317.477 4.020 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCCCCCC1)C2 ZINC001258240876 1063580805 /nfs/dbraw/zinc/58/08/05/1063580805.db2.gz UPBVPVRJKLFQGM-PMACEKPBSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CCOc1cccc(CNc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC001461577224 1063588236 /nfs/dbraw/zinc/58/82/36/1063588236.db2.gz XCAUAHQHLYNIOT-UHFFFAOYSA-N 1 0 310.441 4.234 20 30 DIEDRO C=C(CC)C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC001461583475 1063588950 /nfs/dbraw/zinc/58/89/50/1063588950.db2.gz UEKOHTDEBJOLKW-UHFFFAOYSA-N 1 0 305.219 4.053 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H]1CCCC(C)(C)C1)CCO2 ZINC001258291830 1063590501 /nfs/dbraw/zinc/59/05/01/1063590501.db2.gz PUHUQSWJGASHOF-QWFCFKBJSA-N 1 0 321.505 4.029 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cc3ccccc3cc2OC)c1 ZINC001461579701 1063591770 /nfs/dbraw/zinc/59/17/70/1063591770.db2.gz IQRSBDCQGJLEKC-UHFFFAOYSA-N 1 0 301.389 4.120 20 30 DIEDRO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]CC(C)(C)S ZINC001258299539 1063594713 /nfs/dbraw/zinc/59/47/13/1063594713.db2.gz GXVRZWWYVWPNFO-GFCCVEGCSA-N 1 0 301.521 4.368 20 30 DIEDRO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]Cc1cc(C#N)co1 ZINC001258304255 1063599976 /nfs/dbraw/zinc/59/99/76/1063599976.db2.gz AQRGMGFFHOYANE-CYBMUJFWSA-N 1 0 318.442 4.324 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CC3CCC2CC3)cc(OC)c1O ZINC001461593062 1063602324 /nfs/dbraw/zinc/60/23/24/1063602324.db2.gz SHKNQJFVPTVASC-PVARCSIZSA-N 1 0 315.457 4.045 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001461597220 1063604299 /nfs/dbraw/zinc/60/42/99/1063604299.db2.gz ZLIHUDSDEGAPHI-QUCCMNQESA-N 1 0 308.400 4.215 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C1 ZINC001461596635 1063604369 /nfs/dbraw/zinc/60/43/69/1063604369.db2.gz VCCNUHFGXIIWPJ-OWCLPIDISA-N 1 0 303.471 4.264 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(COCCOC)cc1 ZINC001461635133 1063626119 /nfs/dbraw/zinc/62/61/19/1063626119.db2.gz WACFOAQKZYRIFZ-VQTJNVASSA-N 1 0 317.473 4.074 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2nccn2-c2ccccc2)CCCC1 ZINC001461632496 1063626908 /nfs/dbraw/zinc/62/69/08/1063626908.db2.gz MESQIUYGVVXMIL-UHFFFAOYSA-N 1 0 309.457 4.489 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001461635346 1063627915 /nfs/dbraw/zinc/62/79/15/1063627915.db2.gz XNJPMRNHXVSAOK-SUMWQHHRSA-N 1 0 308.416 4.255 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCc3c2cccc3C#N)cc1 ZINC001258392740 1063635620 /nfs/dbraw/zinc/63/56/20/1063635620.db2.gz FSBATTSJYQKFHM-QVKFZJNVSA-N 1 0 320.436 4.165 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@]2(C)CC2(C)C)cc1OC ZINC001461649138 1063636929 /nfs/dbraw/zinc/63/69/29/1063636929.db2.gz VBAFKRZYRZPYJS-KRWDZBQOSA-N 1 0 309.837 4.192 20 30 DIEDRO COc1ccc(CC[C@H](C)[N@H+](CCC#N)C2CCCC2)cc1 ZINC001258403183 1063640142 /nfs/dbraw/zinc/64/01/42/1063640142.db2.gz IALZLBAXGYRLRG-INIZCTEOSA-N 1 0 300.446 4.175 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(COC)CCCCC2)cc1Cl ZINC001461656785 1063640371 /nfs/dbraw/zinc/64/03/71/1063640371.db2.gz DHTDWNJFJRYHKH-UHFFFAOYSA-N 1 0 323.864 4.344 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](OC)C2CCCC2)cc1Cl ZINC001461663883 1063645057 /nfs/dbraw/zinc/64/50/57/1063645057.db2.gz YVQAWZWPIQPCQF-GOSISDBHSA-N 1 0 323.864 4.200 20 30 DIEDRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001461676101 1063651651 /nfs/dbraw/zinc/65/16/51/1063651651.db2.gz KEYUYFMUSQDRTJ-VQIMIIECSA-N 1 0 311.473 4.085 20 30 DIEDRO C=CCOC(=O)N1CCC2(C[NH+]([C@@H](CC)CCCCC)C2)CC1 ZINC001258437184 1063654266 /nfs/dbraw/zinc/65/42/66/1063654266.db2.gz XAFFNZKXHWHPMU-KRWDZBQOSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc3cccnc3c2)c1 ZINC001461681455 1063655133 /nfs/dbraw/zinc/65/51/33/1063655133.db2.gz DVHMZQHHEVSUQT-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001461684966 1063655972 /nfs/dbraw/zinc/65/59/72/1063655972.db2.gz SOISIGYWJCIKQV-YVSFHVDLSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](CC)CCCCC)C2 ZINC001258441976 1063656375 /nfs/dbraw/zinc/65/63/75/1063656375.db2.gz VDJMAERFVOWAFV-QYZOEREBSA-N 1 0 309.494 4.171 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC001461729146 1063681150 /nfs/dbraw/zinc/68/11/50/1063681150.db2.gz NFIBUTUCDACATJ-JCNLHEQBSA-N 1 0 310.466 4.400 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc3ncccc23)c1 ZINC001461733368 1063686079 /nfs/dbraw/zinc/68/60/79/1063686079.db2.gz APVMOYZVRZAZOM-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C=CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1)C(C)(C)C ZINC001258565155 1063695473 /nfs/dbraw/zinc/69/54/73/1063695473.db2.gz UCOVQRMDMXRHKB-HNNXBMFYSA-N 1 0 324.509 4.451 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258570275 1063696050 /nfs/dbraw/zinc/69/60/50/1063696050.db2.gz LOBCIXJCXJSZCN-LJQANCHMSA-N 1 0 316.489 4.128 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2C)cc1 ZINC001461771005 1063706723 /nfs/dbraw/zinc/70/67/23/1063706723.db2.gz UIJONKFQJOHUKF-FXAWDEMLSA-N 1 0 318.505 4.218 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2C)cc1 ZINC001461771012 1063706875 /nfs/dbraw/zinc/70/68/75/1063706875.db2.gz UIJONKFQJOHUKF-XLIONFOSSA-N 1 0 318.505 4.218 20 30 DIEDRO CC1(C)CC[C@@H]([NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001258609512 1063706961 /nfs/dbraw/zinc/70/69/61/1063706961.db2.gz PHOIVHAJARUZJJ-OAHLLOKOSA-N 1 0 300.421 4.262 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2C)cc1 ZINC001461771008 1063707056 /nfs/dbraw/zinc/70/70/56/1063707056.db2.gz UIJONKFQJOHUKF-PXNSSMCTSA-N 1 0 318.505 4.218 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(OC)c(OCCC(C)C)c2)CCC1 ZINC001461778583 1063710514 /nfs/dbraw/zinc/71/05/14/1063710514.db2.gz UBJBTCBXTFKDFZ-UHFFFAOYSA-N 1 0 315.457 4.156 20 30 DIEDRO CCC[C@@H](Cc1ccccc1)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001258651887 1063723286 /nfs/dbraw/zinc/72/32/86/1063723286.db2.gz IZVLCJABENUAPO-SFHVURJKSA-N 1 0 317.436 4.352 20 30 DIEDRO CCC[C@H](Cc1ccccc1)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001258651886 1063723616 /nfs/dbraw/zinc/72/36/16/1063723616.db2.gz IZVLCJABENUAPO-GOSISDBHSA-N 1 0 317.436 4.352 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1cc(C#N)co1 ZINC001258675737 1063744740 /nfs/dbraw/zinc/74/47/40/1063744740.db2.gz CROPWNGLUOPLGN-SNVBAGLBSA-N 1 0 309.196 4.179 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH+]1CCC(S)CC1 ZINC001258684044 1063749748 /nfs/dbraw/zinc/74/97/48/1063749748.db2.gz MHYYOYLPSQYEEC-SNVBAGLBSA-N 1 0 304.286 4.319 20 30 DIEDRO C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc3cc(O)ccc3c2)CC(C)(C)C1 ZINC001258691157 1063753758 /nfs/dbraw/zinc/75/37/58/1063753758.db2.gz YQWDMNAXHXXUMX-CXAGYDPISA-N 1 0 310.441 4.466 20 30 DIEDRO CCCC[C@@H](Cc1ccccc1)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001258705068 1063763255 /nfs/dbraw/zinc/76/32/55/1063763255.db2.gz CRMYJLWUIUJUOW-INIZCTEOSA-N 1 0 315.848 4.242 20 30 DIEDRO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258709590 1063765500 /nfs/dbraw/zinc/76/55/00/1063765500.db2.gz LTMYLQVQTGWBRB-MSOLQXFVSA-N 1 0 315.482 4.062 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@H](O)c1ccncc1 ZINC001258714681 1063770586 /nfs/dbraw/zinc/77/05/86/1063770586.db2.gz TYCXCALIIJYHOD-RBUKOAKNSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+][C@@H](CO)c1ccncc1 ZINC001258713625 1063770602 /nfs/dbraw/zinc/77/06/02/1063770602.db2.gz BVNZQUNRGCTXFR-MOPGFXCFSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC001258714695 1063770679 /nfs/dbraw/zinc/77/06/79/1063770679.db2.gz UJJOOZLHEXYMIK-IBGZPJMESA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001258714374 1063771029 /nfs/dbraw/zinc/77/10/29/1063771029.db2.gz MRFDAJPRTSJSKH-UXHICEINSA-N 1 0 324.553 4.168 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H](O)c1ccncc1 ZINC001258714682 1063771079 /nfs/dbraw/zinc/77/10/79/1063771079.db2.gz TYCXCALIIJYHOD-RTBURBONSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCN(CCOC)CC1 ZINC001258714449 1063771240 /nfs/dbraw/zinc/77/12/40/1063771240.db2.gz OLSJMDOMSPFHAD-IBGZPJMESA-N 1 0 312.542 4.026 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001258714375 1063771317 /nfs/dbraw/zinc/77/13/17/1063771317.db2.gz MRFDAJPRTSJSKH-VQTJNVASSA-N 1 0 324.553 4.168 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]CC(=O)NCC(F)(F)F ZINC001258714693 1063771333 /nfs/dbraw/zinc/77/13/33/1063771333.db2.gz UIJSMNPWTUZFQW-AWEZNQCLSA-N 1 0 324.431 4.030 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001258714407 1063771435 /nfs/dbraw/zinc/77/14/35/1063771435.db2.gz NQYBYDTWPPQVEJ-KRWDZBQOSA-N 1 0 324.509 4.336 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]C1CCN(C(C)=O)CC1 ZINC001258715837 1063772658 /nfs/dbraw/zinc/77/26/58/1063772658.db2.gz MBUMWWFMNONKIH-LJQANCHMSA-N 1 0 310.526 4.362 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001258716655 1063772922 /nfs/dbraw/zinc/77/29/22/1063772922.db2.gz CPPNMOHWJTWXLK-ULQDDVLXSA-N 1 0 324.509 4.214 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H](O)c1cccnc1 ZINC001258715992 1063773214 /nfs/dbraw/zinc/77/32/14/1063773214.db2.gz PQMUIWVHMDJFFZ-RTBURBONSA-N 1 0 306.494 4.480 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC001258717234 1063773383 /nfs/dbraw/zinc/77/33/83/1063773383.db2.gz KTBXAQOXZIVRDL-CRAIPNDOSA-N 1 0 306.881 4.421 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001258720686 1063774138 /nfs/dbraw/zinc/77/41/38/1063774138.db2.gz DGEQAMLXZDRJKW-NXOAAHMSSA-N 1 0 322.493 4.251 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001461884199 1063774401 /nfs/dbraw/zinc/77/44/01/1063774401.db2.gz ROWCKNRUNHWFQZ-VXKWHMMOSA-N 1 0 316.448 4.447 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001258717571 1063775065 /nfs/dbraw/zinc/77/50/65/1063775065.db2.gz URRBDKBWXPFNHX-QAPCUYQASA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1C ZINC001258718597 1063775132 /nfs/dbraw/zinc/77/51/32/1063775132.db2.gz RQBMVWGHXBWEJY-ZDUSSCGKSA-N 1 0 319.449 4.181 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001258720094 1063775513 /nfs/dbraw/zinc/77/55/13/1063775513.db2.gz REPOWJXJXCALMY-HZPDHXFCSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC001258723525 1063776061 /nfs/dbraw/zinc/77/60/61/1063776061.db2.gz XDKWBSYIRUETKZ-CQSZACIVSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@]12CC(C)=C[C@@H](Cc3[nH]c(=O)ccc31)/C2=C\C ZINC001258723293 1063776136 /nfs/dbraw/zinc/77/61/36/1063776136.db2.gz YTCQDWBLOXCUAV-GISUAHNGSA-N 1 0 324.468 4.395 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(N2CCCCCC2=O)c1 ZINC001258723591 1063776210 /nfs/dbraw/zinc/77/62/10/1063776210.db2.gz ZKDNWUGHAZEZEC-MRXNPFEDSA-N 1 0 300.446 4.038 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CCOCC1 ZINC001258723736 1063776403 /nfs/dbraw/zinc/77/64/03/1063776403.db2.gz DCCAWJSLKRGUAU-OAHLLOKOSA-N 1 0 307.865 4.376 20 30 DIEDRO C=CCC[C@@H](C)n1cc(C[NH3+])c2cc(Br)ccc21 ZINC001258721459 1063777005 /nfs/dbraw/zinc/77/70/05/1063777005.db2.gz WCAKBHMRGRNTNZ-LLVKDONJSA-N 1 0 307.235 4.390 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258725853 1063778376 /nfs/dbraw/zinc/77/83/76/1063778376.db2.gz OCBCFWGCEFPNSJ-HNNXBMFYSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001258726302 1063778540 /nfs/dbraw/zinc/77/85/40/1063778540.db2.gz QRGXWMKMYFMPNP-QFBILLFUSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC001258732637 1063781368 /nfs/dbraw/zinc/78/13/68/1063781368.db2.gz OKBAYPREHUXUFD-SJORKVTESA-N 1 0 302.462 4.389 20 30 DIEDRO C=CCC[C@H](C)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001258733276 1063782258 /nfs/dbraw/zinc/78/22/58/1063782258.db2.gz YMBUJGAFLFFYSO-AYZHRIAMSA-N 1 0 314.517 4.236 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2F)CC1 ZINC001258735075 1063783424 /nfs/dbraw/zinc/78/34/24/1063783424.db2.gz ODBXIMYOGVSLRW-CYBMUJFWSA-N 1 0 307.384 4.214 20 30 DIEDRO C=CCC[C@H](C)[N@H+](CCC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258735729 1063784012 /nfs/dbraw/zinc/78/40/12/1063784012.db2.gz AGFNDMPKAGWLPK-DLBZAZTESA-N 1 0 324.509 4.310 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(C(=O)c2cnc3ccccc3c2)CC1 ZINC001258735902 1063784137 /nfs/dbraw/zinc/78/41/37/1063784137.db2.gz FNPZICZQMCEBQQ-MRXNPFEDSA-N 1 0 322.452 4.484 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001258733886 1063784747 /nfs/dbraw/zinc/78/47/47/1063784747.db2.gz NOYIIYWAUZLPKK-AWEZNQCLSA-N 1 0 315.848 4.374 20 30 DIEDRO C=CCC[C@H](C)[N@H+](C)Cc1cccc(Br)c1F ZINC001258735570 1063784807 /nfs/dbraw/zinc/78/48/07/1063784807.db2.gz WRDKVHCLCHFNQL-NSHDSACASA-N 1 0 300.215 4.375 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001258736469 1063784994 /nfs/dbraw/zinc/78/49/94/1063784994.db2.gz UIQVBZOKKXDZLO-XJKSGUPXSA-N 1 0 313.363 4.433 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734321 1063785183 /nfs/dbraw/zinc/78/51/83/1063785183.db2.gz WXTWNPKOJBTCML-CVEARBPZSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](CCC)CCCC)CC2 ZINC001258761605 1063808516 /nfs/dbraw/zinc/80/85/16/1063808516.db2.gz ODTOJZUWXCRWFP-ICSRJNTNSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H](CC)C[C@H](C)CC)C2 ZINC001258790097 1063827761 /nfs/dbraw/zinc/82/77/61/1063827761.db2.gz IEICXKWAFCASKL-WSTZPKSXSA-N 1 0 320.521 4.234 20 30 DIEDRO C=CCOCc1ncn2c1C[N@H+]([C@H](CC)C[C@H](C)CC)CCC2 ZINC001258791000 1063829370 /nfs/dbraw/zinc/82/93/70/1063829370.db2.gz OZZALJIUGHOWNO-IAGOWNOFSA-N 1 0 319.493 4.006 20 30 DIEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC(C(C)C)CC1)C2 ZINC001258803529 1063836691 /nfs/dbraw/zinc/83/66/91/1063836691.db2.gz BTGZWQSHGQWIJH-TUNPWDSISA-N 1 0 321.505 4.027 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001258830335 1063853082 /nfs/dbraw/zinc/85/30/82/1063853082.db2.gz NAHCNCCVTHWLBK-HZPDHXFCSA-N 1 0 300.421 4.262 20 30 DIEDRO CC[C@@H](Cc1ccccc1)NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001258838295 1063860832 /nfs/dbraw/zinc/86/08/32/1063860832.db2.gz UINBHZKVXPVENF-INIZCTEOSA-N 1 0 320.358 4.432 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001258856882 1063868364 /nfs/dbraw/zinc/86/83/64/1063868364.db2.gz QGRDKLFJYPWDIG-OAHLLOKOSA-N 1 0 323.477 4.203 20 30 DIEDRO CC[NH+](CC)CCC[C@@H](C)N[C@@](C)(C#N)c1ccccc1Cl ZINC001258900321 1063875363 /nfs/dbraw/zinc/87/53/63/1063875363.db2.gz JANXJZOXIMUSCP-QAPCUYQASA-N 1 0 321.896 4.179 20 30 DIEDRO C=CC[N@@H+](Cc1cccs1)C[C@H]1CCN(c2ccccc2)C1 ZINC001462031588 1063891891 /nfs/dbraw/zinc/89/18/91/1063891891.db2.gz FSVILNWADGXAEI-QGZVFWFLSA-N 1 0 312.482 4.263 20 30 DIEDRO C=CCCC(C)(C)CNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC001462039474 1063895596 /nfs/dbraw/zinc/89/55/96/1063895596.db2.gz ZFLGBURFUZRENY-SFHVURJKSA-N 1 0 316.489 4.178 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cccc(C#N)c1 ZINC001262161139 1063957168 /nfs/dbraw/zinc/95/71/68/1063957168.db2.gz ZWRDMZGPOIUWML-OAHLLOKOSA-N 1 0 319.330 4.213 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cccc(C#N)c1 ZINC001262161138 1063958060 /nfs/dbraw/zinc/95/80/60/1063958060.db2.gz ZWRDMZGPOIUWML-HNNXBMFYSA-N 1 0 319.330 4.213 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccsc2Br)CC1 ZINC000724585505 1064350070 /nfs/dbraw/zinc/35/00/70/1064350070.db2.gz FVBUQZNXPMABBM-UHFFFAOYSA-N 1 0 300.265 4.347 20 30 DIEDRO C#CCCC[NH2+]C12CC(C(=O)Nc3ccc([C@@H](C)CC)cc3)(C1)C2 ZINC001279749555 1064366781 /nfs/dbraw/zinc/36/67/81/1064366781.db2.gz DWLKPIHYJZOOAU-ATIQYGATSA-N 1 0 324.468 4.064 20 30 DIEDRO C=CCCCCCCC[NH+]1CC2(C[C@H]2C(=O)N(CC)C(C)C)C1 ZINC001279834023 1064369658 /nfs/dbraw/zinc/36/96/58/1064369658.db2.gz CMCCFSQIQPRCPR-SFHVURJKSA-N 1 0 320.521 4.092 20 30 DIEDRO CCCCCCCOC(=O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001280345081 1064396002 /nfs/dbraw/zinc/39/60/02/1064396002.db2.gz XRKPRHRXQRNGRY-UHFFFAOYSA-N 1 0 322.493 4.044 20 30 DIEDRO CCCCCCCC(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC001288159942 1064517086 /nfs/dbraw/zinc/51/70/86/1064517086.db2.gz UHGSCTRFKBVGBI-UHFFFAOYSA-N 1 0 310.526 4.173 20 30 DIEDRO C=C(C)CCC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001288761195 1064565847 /nfs/dbraw/zinc/56/58/47/1064565847.db2.gz GENIOWBOEZWJFQ-UHFFFAOYSA-N 1 0 314.351 4.062 20 30 DIEDRO C=C(C)CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001290521624 1064698472 /nfs/dbraw/zinc/69/84/72/1064698472.db2.gz XQCSHJJNSMMGNA-QGZVFWFLSA-N 1 0 322.880 4.195 20 30 DIEDRO C=CC1(CC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCCCC1 ZINC001291552593 1064734976 /nfs/dbraw/zinc/73/49/76/1064734976.db2.gz RFSNRRJCBFZUMD-SFHVURJKSA-N 1 0 320.521 4.284 20 30 DIEDRO N#Cc1cnc2c(Cl)cccc2c1Nc1ccc2[nH+]ccn2c1 ZINC001307170416 1064855306 /nfs/dbraw/zinc/85/53/06/1064855306.db2.gz BJWUSVMMQDNSEY-UHFFFAOYSA-N 1 0 319.755 4.151 20 30 DIEDRO CCCCCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001295095469 1064901253 /nfs/dbraw/zinc/90/12/53/1064901253.db2.gz RSKLGDSSKSLPCP-PKOBYXMFSA-N 1 0 320.452 4.048 20 30 DIEDRO C=CC1(CC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001301038344 1065049439 /nfs/dbraw/zinc/04/94/39/1065049439.db2.gz KTBKMOLEQRZEDL-KRWDZBQOSA-N 1 0 318.505 4.036 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001301838961 1065072544 /nfs/dbraw/zinc/07/25/44/1065072544.db2.gz DAFIKLZOFMVQIE-SFHVURJKSA-N 1 0 322.537 4.365 20 30 DIEDRO CCC(CC)[C@@H](CNc1cc(F)ccc1C#N)[NH+]1CCCC1 ZINC001306924378 1065207198 /nfs/dbraw/zinc/20/71/98/1065207198.db2.gz NFTFTZRGQBTUFR-GOSISDBHSA-N 1 0 303.425 4.010 20 30 DIEDRO Cc1ccc([C@H](CNc2cc(C)cc(F)c2C#N)[NH+](C)C)cc1 ZINC001306947808 1065216039 /nfs/dbraw/zinc/21/60/39/1065216039.db2.gz CKHRYVPGMTVEAM-IBGZPJMESA-N 1 0 311.404 4.029 20 30 DIEDRO CC[NH+](CC)CC[C@@H](Nc1cc(C)c(C#N)cn1)c1ccccc1 ZINC001307233267 1065309786 /nfs/dbraw/zinc/30/97/86/1065309786.db2.gz ZMQQGWIDUMCEQJ-LJQANCHMSA-N 1 0 322.456 4.147 20 30 DIEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)c1cccc(OC)c1 ZINC001307426866 1065385852 /nfs/dbraw/zinc/38/58/52/1065385852.db2.gz QVYCLPKKBRNTQJ-INIZCTEOSA-N 1 0 311.400 4.269 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC(C)(C)OC1(C)C ZINC001307439380 1065400301 /nfs/dbraw/zinc/40/03/01/1065400301.db2.gz XSJKUACYLFEZGI-SFHVURJKSA-N 1 0 314.473 4.362 20 30 DIEDRO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC001307438206 1065400419 /nfs/dbraw/zinc/40/04/19/1065400419.db2.gz QMDVFFJOBSQPNO-UHFFFAOYSA-N 1 0 308.425 4.225 20 30 DIEDRO C=CC[N@@H+](CCc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC001307441130 1065402140 /nfs/dbraw/zinc/40/21/40/1065402140.db2.gz TWLFBJJOXRFGME-UHFFFAOYSA-N 1 0 312.363 4.067 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC001307441297 1065402539 /nfs/dbraw/zinc/40/25/39/1065402539.db2.gz CJVDVPYULFWNJJ-GOSISDBHSA-N 1 0 322.427 4.461 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)CC1([C@H]2CCCCO2)CCC1 ZINC001307444831 1065404425 /nfs/dbraw/zinc/40/44/25/1065404425.db2.gz KMCLCQZLZDHKLK-LJQANCHMSA-N 1 0 315.432 4.000 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](CCOC)c1ccccc1 ZINC001307445020 1065404924 /nfs/dbraw/zinc/40/49/24/1065404924.db2.gz RICUYWNHXYUGKZ-OAQYLSRUSA-N 1 0 309.453 4.495 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001307444826 1065405478 /nfs/dbraw/zinc/40/54/78/1065405478.db2.gz KICFIUUEKAVXLG-UHFFFAOYSA-N 1 0 310.828 4.442 20 30 DIEDRO CC(C)c1ccccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001307447071 1065407096 /nfs/dbraw/zinc/40/70/96/1065407096.db2.gz ZVAQILSIGTWOTO-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO C=CCCCC[N@@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307460147 1065413490 /nfs/dbraw/zinc/41/34/90/1065413490.db2.gz GITXENHMEBKOKX-MRXNPFEDSA-N 1 0 310.482 4.064 20 30 DIEDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCOc2cccc(C#N)c2)o1 ZINC001307497189 1065441936 /nfs/dbraw/zinc/44/19/36/1065441936.db2.gz RANXCDQNLZIVNZ-HNAYVOBHSA-N 1 0 324.424 4.312 20 30 DIEDRO N#CCOc1ccc(C[N@@H+](Cc2ccccc2F)C2CCC2)cc1 ZINC001307581123 1065495821 /nfs/dbraw/zinc/49/58/21/1065495821.db2.gz KRSYFBJEQPNNFG-UHFFFAOYSA-N 1 0 324.399 4.283 20 30 DIEDRO CC[C@@H](CO)[N@H+](CCCCC1(C#N)CCC1)Cc1ccccc1 ZINC001307602434 1065509008 /nfs/dbraw/zinc/50/90/08/1065509008.db2.gz CHKGBGHOQQTJRG-IBGZPJMESA-N 1 0 314.473 4.124 20 30 DIEDRO CO[C@H](C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc(F)cc1 ZINC001307606932 1065511881 /nfs/dbraw/zinc/51/18/81/1065511881.db2.gz URZVMDNUTDSDAE-HXUWFJFHSA-N 1 0 324.399 4.049 20 30 DIEDRO CC(C)(O)C[N@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC001307608636 1065513818 /nfs/dbraw/zinc/51/38/18/1065513818.db2.gz GOLGWPKOMALYMO-UHFFFAOYSA-N 1 0 314.473 4.124 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)C(C)(C)c1ccccc1 ZINC001307620375 1065521641 /nfs/dbraw/zinc/52/16/41/1065521641.db2.gz WRPQYSDZQYXACH-FQEVSTJZSA-N 1 0 322.452 4.413 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](OC)c1ccc(Cl)cc1 ZINC001307620574 1065522039 /nfs/dbraw/zinc/52/20/39/1065522039.db2.gz IORPICSULNGKHP-SFHVURJKSA-N 1 0 319.832 4.351 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC001307626514 1065527423 /nfs/dbraw/zinc/52/74/23/1065527423.db2.gz LAKJQULMVWDTAS-YYWHXJBOSA-N 1 0 309.453 4.448 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)c1ccccc1 ZINC001307626511 1065527458 /nfs/dbraw/zinc/52/74/58/1065527458.db2.gz LAKJQULMVWDTAS-JRGCBEDISA-N 1 0 309.453 4.448 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1Cc2cc(OC)ccc2O1)c1ccccc1 ZINC001307627324 1065527747 /nfs/dbraw/zinc/52/77/47/1065527747.db2.gz SWOWVCVAEDIKNO-PMACEKPBSA-N 1 0 323.436 4.296 20 30 DIEDRO N#CCC1(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC001307655136 1065545533 /nfs/dbraw/zinc/54/55/33/1065545533.db2.gz XDOFMXUKVBWVRG-OAHLLOKOSA-N 1 0 318.848 4.125 20 30 DIEDRO C#CC(C)(C)[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC001307680778 1065558538 /nfs/dbraw/zinc/55/85/38/1065558538.db2.gz WSNINOIFHXLGHW-UHFFFAOYSA-N 1 0 311.400 4.248 20 30 DIEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001307691526 1065565186 /nfs/dbraw/zinc/56/51/86/1065565186.db2.gz SUMMMLFZTYVTDL-WMLDXEAASA-N 1 0 315.417 4.161 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCSC(F)(F)F)c1ccc(F)c(F)c1 ZINC001307700176 1065571249 /nfs/dbraw/zinc/57/12/49/1065571249.db2.gz ZSSIRZGVLKUFIZ-GFCCVEGCSA-N 1 0 311.319 4.425 20 30 DIEDRO C=C(C)C[NH2+][C@H]1CCCC[C@H]1Oc1ccc(OCCC)cc1 ZINC001307701420 1065573126 /nfs/dbraw/zinc/57/31/26/1065573126.db2.gz WUKSIPRVUZTOQC-RBUKOAKNSA-N 1 0 303.446 4.331 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1C ZINC001307703506 1065573417 /nfs/dbraw/zinc/57/34/17/1065573417.db2.gz VBNIBEIBRMETMN-JMSVASOKSA-N 1 0 308.372 4.074 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@@H]1C ZINC001307701267 1065573726 /nfs/dbraw/zinc/57/37/26/1065573726.db2.gz CWIYXGFEYJSUEA-XHBSWPGZSA-N 1 0 321.262 4.235 20 30 DIEDRO C=C(Cl)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC001307719766 1065582283 /nfs/dbraw/zinc/58/22/83/1065582283.db2.gz ORHDGFXJGWBIIY-UHFFFAOYSA-N 1 0 314.654 4.381 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CCC(=O)Nc2ccccc2F)CCCC1(C)C ZINC001307728616 1065588649 /nfs/dbraw/zinc/58/86/49/1065588649.db2.gz FIBULPBSKNFOLD-KRWDZBQOSA-N 1 0 318.436 4.221 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001307740469 1065595579 /nfs/dbraw/zinc/59/55/79/1065595579.db2.gz HQXCYQDRXPNOFO-UHFFFAOYSA-N 1 0 310.397 4.482 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC001307738993 1065595686 /nfs/dbraw/zinc/59/56/86/1065595686.db2.gz STFPNDZEQVPQQN-LBPRGKRZSA-N 1 0 314.256 4.289 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(Cl)c1 ZINC001307742926 1065599048 /nfs/dbraw/zinc/59/90/48/1065599048.db2.gz UWPKNBISSLPGSH-LJQANCHMSA-N 1 0 315.844 4.452 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001307741949 1065599193 /nfs/dbraw/zinc/59/91/93/1065599193.db2.gz NAMDEBZNGLQSCB-SJLPKXTDSA-N 1 0 312.457 4.228 20 30 DIEDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001307741948 1065599847 /nfs/dbraw/zinc/59/98/47/1065599847.db2.gz NAMDEBZNGLQSCB-FUHWJXTLSA-N 1 0 312.457 4.228 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1F ZINC001307750111 1065605060 /nfs/dbraw/zinc/60/50/60/1065605060.db2.gz XUYFTRJGQWKMJM-AQNXPRMDSA-N 1 0 320.411 4.465 20 30 DIEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cc(C#N)ccc1Br ZINC001307752198 1065605749 /nfs/dbraw/zinc/60/57/49/1065605749.db2.gz MYGYTGIBDQMPKX-RYUDHWBXSA-N 1 0 321.262 4.235 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC001307760378 1065609321 /nfs/dbraw/zinc/60/93/21/1065609321.db2.gz UPWCWMPNFGSRQO-ZWOKBUDYSA-N 1 0 301.540 4.359 20 30 DIEDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC001307768587 1065613597 /nfs/dbraw/zinc/61/35/97/1065613597.db2.gz RQFWKJJFYQCLSL-UONOGXRCSA-N 1 0 306.837 4.253 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC001307781307 1065617002 /nfs/dbraw/zinc/61/70/02/1065617002.db2.gz HMUOINPXNPANKN-QGZVFWFLSA-N 1 0 316.242 4.494 20 30 DIEDRO C#CCCCCCC[N@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001307787171 1065619419 /nfs/dbraw/zinc/61/94/19/1065619419.db2.gz BPGXSOILIDBGDP-KRWDZBQOSA-N 1 0 318.892 4.434 20 30 DIEDRO N#CC1(CC[N@H+]2CC[C@H](c3ccccc3F)C2)CCCCC1 ZINC001307791218 1065621548 /nfs/dbraw/zinc/62/15/48/1065621548.db2.gz MBTGSCFZNGCRTA-INIZCTEOSA-N 1 0 300.421 4.479 20 30 DIEDRO C=CCCC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001307794403 1065623215 /nfs/dbraw/zinc/62/32/15/1065623215.db2.gz YVSHPTQXGDKYAY-CJNGLKHVSA-N 1 0 313.363 4.433 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001307809708 1065631170 /nfs/dbraw/zinc/63/11/70/1065631170.db2.gz DXAOFTDHIVTBRZ-LJQANCHMSA-N 1 0 308.425 4.192 20 30 DIEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001307809733 1065631446 /nfs/dbraw/zinc/63/14/46/1065631446.db2.gz FNFKRNAIVGVARF-SJLPKXTDSA-N 1 0 314.473 4.474 20 30 DIEDRO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001307832152 1065643721 /nfs/dbraw/zinc/64/37/21/1065643721.db2.gz ITNGLMJAPNTKHF-WOJBJXKFSA-N 1 0 308.400 4.465 20 30 DIEDRO CCCCCCCC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001307886373 1065667651 /nfs/dbraw/zinc/66/76/51/1065667651.db2.gz DFTUIHGEDCTGBF-KDURUIRLSA-N 1 0 300.490 4.415 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC001307909381 1065677717 /nfs/dbraw/zinc/67/77/17/1065677717.db2.gz JFJRWSJQAZJLGH-BZSNNMDCSA-N 1 0 309.494 4.401 20 30 DIEDRO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001307907599 1065679088 /nfs/dbraw/zinc/67/90/88/1065679088.db2.gz MUEYSURWCHNDSX-AWEZNQCLSA-N 1 0 314.429 4.310 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)cc1F ZINC001307915487 1065680192 /nfs/dbraw/zinc/68/01/92/1065680192.db2.gz UVKVCHGGWQCDMJ-LJQANCHMSA-N 1 0 324.399 4.352 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)cc1F ZINC001307915486 1065680341 /nfs/dbraw/zinc/68/03/41/1065680341.db2.gz UVKVCHGGWQCDMJ-IBGZPJMESA-N 1 0 324.399 4.352 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(CC)ccc23)C1 ZINC001307915762 1065680458 /nfs/dbraw/zinc/68/04/58/1065680458.db2.gz WKPZKMRHZYEWIR-MRXNPFEDSA-N 1 0 311.425 4.144 20 30 DIEDRO CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCSCC#N ZINC001307919446 1065682505 /nfs/dbraw/zinc/68/25/05/1065682505.db2.gz VMGSVSROIWXURS-SFHVURJKSA-N 1 0 302.487 4.121 20 30 DIEDRO C[C@@]1(Cc2ccccc2Cl)CCC[N@@H+]1CCCSCC#N ZINC001307925837 1065684415 /nfs/dbraw/zinc/68/44/15/1065684415.db2.gz XELIUKSSBFDESJ-KRWDZBQOSA-N 1 0 322.905 4.384 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307942545 1065690835 /nfs/dbraw/zinc/69/08/35/1065690835.db2.gz XVUGEWAEPDZLOG-SJORKVTESA-N 1 0 324.509 4.358 20 30 DIEDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CCC1(C#N)CCCCC1 ZINC001307938185 1065691161 /nfs/dbraw/zinc/69/11/61/1065691161.db2.gz PIAZNQZTXRZXFJ-KRWDZBQOSA-N 1 0 311.473 4.191 20 30 DIEDRO N#CC(CC[N@@H+]1CC[C@H]2C[C@H]2C1)(c1ccccc1)c1ccccc1 ZINC001307950081 1065694903 /nfs/dbraw/zinc/69/49/03/1065694903.db2.gz AECGQFCEHXMCTK-OALUTQOASA-N 1 0 316.448 4.228 20 30 DIEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@]1(C)Cc1cccc2ccccc21 ZINC001307951485 1065697925 /nfs/dbraw/zinc/69/79/25/1065697925.db2.gz JLNSJXFSAFARAB-UTKZUKDTSA-N 1 0 322.452 4.165 20 30 DIEDRO CC[C@@H](CO)[N@H+](CC1(CC#N)CC1)C1CCC(C(C)(C)C)CC1 ZINC001307958059 1065698864 /nfs/dbraw/zinc/69/88/64/1065698864.db2.gz NVEUIQLZYMACBG-ADKAHSJRSA-N 1 0 320.521 4.358 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC001307961803 1065702081 /nfs/dbraw/zinc/70/20/81/1065702081.db2.gz MCRUAADBFQXLBR-LBPRGKRZSA-N 1 0 300.229 4.270 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC001307961801 1065702308 /nfs/dbraw/zinc/70/23/08/1065702308.db2.gz MCRUAADBFQXLBR-GFCCVEGCSA-N 1 0 300.229 4.270 20 30 DIEDRO C=CCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC001308013819 1065723035 /nfs/dbraw/zinc/72/30/35/1065723035.db2.gz DSFZPAHAQQCNCF-UHFFFAOYSA-N 1 0 310.482 4.064 20 30 DIEDRO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC001308012101 1065724652 /nfs/dbraw/zinc/72/46/52/1065724652.db2.gz KWXJEQAWZYPNQV-SFHVURJKSA-N 1 0 317.860 4.115 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)CCc1ccc2ccccc2c1 ZINC001308015161 1065725408 /nfs/dbraw/zinc/72/54/08/1065725408.db2.gz BDLMGXIKPYOBPN-UHFFFAOYSA-N 1 0 314.432 4.428 20 30 DIEDRO C=CCCCC[NH2+][C@H](COC)c1cccc(Br)c1 ZINC001308020836 1065725681 /nfs/dbraw/zinc/72/56/81/1065725681.db2.gz WHWWIVNOQKRRKA-OAHLLOKOSA-N 1 0 312.251 4.083 20 30 DIEDRO Cc1nc(C(C)C)ccc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC001308017107 1065725695 /nfs/dbraw/zinc/72/56/95/1065725695.db2.gz SABJAMGDDAPTLO-UHFFFAOYSA-N 1 0 307.441 4.060 20 30 DIEDRO CCSc1ccccc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC001308015508 1065725950 /nfs/dbraw/zinc/72/59/50/1065725950.db2.gz GIYLMNXGWHBINF-UHFFFAOYSA-N 1 0 310.466 4.345 20 30 DIEDRO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001308027154 1065730332 /nfs/dbraw/zinc/73/03/32/1065730332.db2.gz FDWZDBTUNHAVOD-UKRRQHHQSA-N 1 0 313.750 4.178 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1C#N ZINC001308066369 1065746680 /nfs/dbraw/zinc/74/66/80/1065746680.db2.gz LPAATKFIEBYCMH-HNNXBMFYSA-N 1 0 312.363 4.134 20 30 DIEDRO C#CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCCc2ccccc21 ZINC001308105181 1065764355 /nfs/dbraw/zinc/76/43/55/1065764355.db2.gz YKYNYPFIFBBTFX-QFIPXVFZSA-N 1 0 317.407 4.190 20 30 DIEDRO C#CC[N@@H+](C[C@H](OC)C1CCCC1)[C@H]1CCCc2ccccc21 ZINC001308104731 1065766104 /nfs/dbraw/zinc/76/61/04/1065766104.db2.gz TZTGCCCAKLDOQQ-SFTDATJTSA-N 1 0 311.469 4.204 20 30 DIEDRO C#CC[N@@H+](CCN(C)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001308104524 1065766324 /nfs/dbraw/zinc/76/63/24/1065766324.db2.gz QLOGRRBMZUIYPQ-QFIPXVFZSA-N 1 0 318.464 4.136 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)c1cc2ccccc2c(OC)c1 ZINC001308138419 1065774524 /nfs/dbraw/zinc/77/45/24/1065774524.db2.gz ZTASMIDPDBFBNC-GFCCVEGCSA-N 1 0 320.230 4.408 20 30 DIEDRO C=C(C)C[NH+]1CCC(OCc2ccc(Br)cc2)CC1 ZINC001308165905 1065788273 /nfs/dbraw/zinc/78/82/73/1065788273.db2.gz RQOWLEJIESYEOB-UHFFFAOYSA-N 1 0 324.262 4.006 20 30 DIEDRO CC(C)(C)c1ccc(CC[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC001308199166 1065806775 /nfs/dbraw/zinc/80/67/75/1065806775.db2.gz NXOUGSCOMHNUBD-UHFFFAOYSA-N 1 0 310.416 4.327 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC001308209968 1065818427 /nfs/dbraw/zinc/81/84/27/1065818427.db2.gz OYRITKMCUJJRTB-IRXDYDNUSA-N 1 0 321.468 4.195 20 30 DIEDRO CCCCCCCOc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1 ZINC001308218395 1065826360 /nfs/dbraw/zinc/82/63/60/1065826360.db2.gz FLCVYTDBTBRTMY-LJQANCHMSA-N 1 0 318.505 4.220 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC001308232198 1065838580 /nfs/dbraw/zinc/83/85/80/1065838580.db2.gz SGBOLRFZJBDHIW-BZUAXINKSA-N 1 0 320.427 4.126 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC2(c3ccccc3C)CC2)c1 ZINC001308239447 1065845307 /nfs/dbraw/zinc/84/53/07/1065845307.db2.gz NQSDYQRLJNNSEL-UHFFFAOYSA-N 1 0 307.437 4.381 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CCc1csc2ccccc12 ZINC001308252680 1065855946 /nfs/dbraw/zinc/85/59/46/1065855946.db2.gz PIXMEJIYJAQVPY-UHFFFAOYSA-N 1 0 321.445 4.246 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC001308265974 1065865058 /nfs/dbraw/zinc/86/50/58/1065865058.db2.gz HURAGBRDPQCQHW-HOCLYGCPSA-N 1 0 308.263 4.326 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)C1 ZINC001308267993 1065867281 /nfs/dbraw/zinc/86/72/81/1065867281.db2.gz ZZVNCRNTKVIRGJ-NXHRZFHOSA-N 1 0 302.437 4.129 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001308269641 1065870958 /nfs/dbraw/zinc/87/09/58/1065870958.db2.gz VGJHOZDRMJIUHW-ZIAGYGMSSA-N 1 0 323.889 4.116 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)c1ccncc1 ZINC001308273419 1065871533 /nfs/dbraw/zinc/87/15/33/1065871533.db2.gz XHGXLOLXJYTSMS-HNNXBMFYSA-N 1 0 322.239 4.378 20 30 DIEDRO C=CC[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)c1ccncc1 ZINC001308272744 1065872204 /nfs/dbraw/zinc/87/22/04/1065872204.db2.gz IYRLLYHGMVVHNO-YZTRRJNXSA-N 1 0 300.352 4.280 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccncc1 ZINC001308272701 1065873032 /nfs/dbraw/zinc/87/30/32/1065873032.db2.gz HEUAMKAYYRXDDL-INIZCTEOSA-N 1 0 304.340 4.090 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCCOC)C1 ZINC001308305910 1065901519 /nfs/dbraw/zinc/90/15/19/1065901519.db2.gz HSMBEFJAJLGVEE-IEBWSBKVSA-N 1 0 317.473 4.245 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1ncc(Br)cc1Cl ZINC001308345365 1065930055 /nfs/dbraw/zinc/93/00/55/1065930055.db2.gz DNPHFVHWYWNZTD-JTQLQIEISA-N 1 0 317.658 4.332 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1c(F)cc(Br)cc1F ZINC001308415488 1065973174 /nfs/dbraw/zinc/97/31/74/1065973174.db2.gz GYEPCNUHUZREMD-UHFFFAOYSA-N 1 0 318.205 4.419 20 30 DIEDRO C=CCc1cc(C[NH2+]CC2CCCCCC2)cc(OC)c1O ZINC001308405918 1065966569 /nfs/dbraw/zinc/96/65/69/1065966569.db2.gz ZEKARSOLMVPZDR-UHFFFAOYSA-N 1 0 303.446 4.189 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2ccccc2)C2CC2)cc1 ZINC001308415625 1065973561 /nfs/dbraw/zinc/97/35/61/1065973561.db2.gz CNLYISFACLEKGX-JOCHJYFZSA-N 1 0 319.448 4.372 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2CC)cc(OC)c1O ZINC001308422546 1065979117 /nfs/dbraw/zinc/97/91/17/1065979117.db2.gz LVROHKRAOPTDNR-AEFFLSMTSA-N 1 0 317.473 4.435 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001308430242 1065983441 /nfs/dbraw/zinc/98/34/41/1065983441.db2.gz CFCLZPHGWJOFAF-XJKSGUPXSA-N 1 0 308.263 4.326 20 30 DIEDRO C#Cc1cccc(C[NH2+]C/C(C)=C\c2ccccc2COC)c1 ZINC001308436993 1065987403 /nfs/dbraw/zinc/98/74/03/1065987403.db2.gz YLTYODHLEWIOTQ-ATVHPVEESA-N 1 0 305.421 4.007 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)cc1Cl ZINC001308438911 1065987802 /nfs/dbraw/zinc/98/78/02/1065987802.db2.gz XSWWWAYDLWEBNP-FZKQIMNGSA-N 1 0 323.864 4.198 20 30 DIEDRO N#Cc1ccc(C2([NH2+]C/C=C\c3cccc(F)c3)CCC2)cc1 ZINC001308448550 1065995119 /nfs/dbraw/zinc/99/51/19/1065995119.db2.gz KEOJFHNZRXLOOQ-DJWKRKHSSA-N 1 0 306.384 4.380 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cc3c(cc2OC)OCO3)CCCC1 ZINC001308463475 1066004110 /nfs/dbraw/zinc/00/41/10/1066004110.db2.gz HZJPVGHIBAMCAJ-UHFFFAOYSA-N 1 0 317.429 4.040 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1 ZINC001308464261 1066004203 /nfs/dbraw/zinc/00/42/03/1066004203.db2.gz RLSWJLPPGVUIDV-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC001308463832 1066005450 /nfs/dbraw/zinc/00/54/50/1066005450.db2.gz NJGNGBGNIGZSEY-SJLPKXTDSA-N 1 0 315.457 4.461 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(COCC)c2)CCCC1 ZINC001308466947 1066008597 /nfs/dbraw/zinc/00/85/97/1066008597.db2.gz RSEVGHAVXGEBSG-UHFFFAOYSA-N 1 0 303.446 4.210 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC2(C(F)(F)F)CCCC2)c1 ZINC001308482966 1066020941 /nfs/dbraw/zinc/02/09/41/1066020941.db2.gz ZNGQMRAKUWUKQH-UHFFFAOYSA-N 1 0 313.363 4.464 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001308501635 1066030116 /nfs/dbraw/zinc/03/01/16/1066030116.db2.gz PLCHQOFNUVSRJV-IBGZPJMESA-N 1 0 315.844 4.424 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001308500484 1066030177 /nfs/dbraw/zinc/03/01/77/1066030177.db2.gz CLWOFPCIDUHLLM-OAHLLOKOSA-N 1 0 305.805 4.017 20 30 DIEDRO COc1ccc(C[NH2+]Cc2cc(C(C)(C)C)oc2C)cc1C#N ZINC001308503958 1066032097 /nfs/dbraw/zinc/03/20/97/1066032097.db2.gz YLYCIEIWYNZIQJ-UHFFFAOYSA-N 1 0 312.413 4.056 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1c[nH]nc1-c1cccc(OC)c1 ZINC001308509461 1066035276 /nfs/dbraw/zinc/03/52/76/1066035276.db2.gz AGPCPFRTXQUCKK-UHFFFAOYSA-N 1 0 313.445 4.167 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001308510504 1066037613 /nfs/dbraw/zinc/03/76/13/1066037613.db2.gz VIPPQHUCLCDJJY-HZPDHXFCSA-N 1 0 324.509 4.404 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001308512984 1066038742 /nfs/dbraw/zinc/03/87/42/1066038742.db2.gz MEBXVTBHFUSSOK-UHFFFAOYSA-N 1 0 313.363 4.464 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCC[C@H](SC)C2)cc1C#N ZINC001308519163 1066040709 /nfs/dbraw/zinc/04/07/09/1066040709.db2.gz DOPOUCFKKJWTOM-GJZGRUSLSA-N 1 0 306.500 4.044 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cccc(Cl)c2F)cc1C#N ZINC001308518798 1066040722 /nfs/dbraw/zinc/04/07/22/1066040722.db2.gz AREMGSSFKNFXQA-UHFFFAOYSA-N 1 0 320.820 4.362 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)cc1 ZINC001308545817 1066060158 /nfs/dbraw/zinc/06/01/58/1066060158.db2.gz JLOFREHZDSAQOB-HNNXBMFYSA-N 1 0 307.384 4.004 20 30 DIEDRO Cc1cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)ccc1C#N ZINC001308565051 1066074644 /nfs/dbraw/zinc/07/46/44/1066074644.db2.gz OYILYQBCOKEKAV-UWJYYQICSA-N 1 0 304.437 4.492 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001308570042 1066082047 /nfs/dbraw/zinc/08/20/47/1066082047.db2.gz LAWONJRNBMUZGT-OALUTQOASA-N 1 0 314.473 4.282 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCOc2ccccc21 ZINC001308579129 1066093976 /nfs/dbraw/zinc/09/39/76/1066093976.db2.gz XRVZSTDMQJJNCP-GOSISDBHSA-N 1 0 323.436 4.250 20 30 DIEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001308597475 1066108903 /nfs/dbraw/zinc/10/89/03/1066108903.db2.gz GELDYVYJSOKENN-JOCHJYFZSA-N 1 0 303.449 4.383 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC001308643388 1066134351 /nfs/dbraw/zinc/13/43/51/1066134351.db2.gz QNCGFUANTZZJNP-MEDUHNTESA-N 1 0 320.845 4.139 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC001308647806 1066135429 /nfs/dbraw/zinc/13/54/29/1066135429.db2.gz WCGLNEGHSAOMNO-ZIAGYGMSSA-N 1 0 323.864 4.391 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC001308647804 1066135702 /nfs/dbraw/zinc/13/57/02/1066135702.db2.gz WCGLNEGHSAOMNO-KBPBESRZSA-N 1 0 323.864 4.391 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1CC(F)(F)F ZINC001308649327 1066136017 /nfs/dbraw/zinc/13/60/17/1066136017.db2.gz IQLYICLMBINYCG-UHFFFAOYSA-N 1 0 318.342 4.295 20 30 DIEDRO CC(C)C[N@H+](CCC#N)C[C@H](C)c1cccc(Br)c1 ZINC001308649229 1066136096 /nfs/dbraw/zinc/13/60/96/1066136096.db2.gz FVBATSJJYRJGGQ-AWEZNQCLSA-N 1 0 323.278 4.424 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001308652534 1066138041 /nfs/dbraw/zinc/13/80/41/1066138041.db2.gz AEVALQSEGKARAE-UHFFFAOYSA-N 1 0 323.362 4.289 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC001308650933 1066138178 /nfs/dbraw/zinc/13/81/78/1066138178.db2.gz UYNOVFZVRSJTSD-GJZGRUSLSA-N 1 0 305.849 4.363 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC001308650932 1066138195 /nfs/dbraw/zinc/13/81/95/1066138195.db2.gz UYNOVFZVRSJTSD-CABCVRRESA-N 1 0 305.849 4.363 20 30 DIEDRO C[N@H+](Cc1cc(C#N)ccc1Br)C1CCCCCC1 ZINC001308654396 1066139436 /nfs/dbraw/zinc/13/94/36/1066139436.db2.gz AEMSLHMHZWQSKI-UHFFFAOYSA-N 1 0 321.262 4.475 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001308658846 1066140870 /nfs/dbraw/zinc/14/08/70/1066140870.db2.gz UIAGCUCHGUENCX-HXUWFJFHSA-N 1 0 323.415 4.100 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@@H](C)CSCCF)c1ccc(F)c(F)c1 ZINC001308697706 1066186105 /nfs/dbraw/zinc/18/61/05/1066186105.db2.gz WZLLYLDLLNSNOL-XHDPSFHLSA-N 1 0 303.393 4.263 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H](C)CSCCF)c1ccc(F)c(F)c1 ZINC001308697705 1066186221 /nfs/dbraw/zinc/18/62/21/1066186221.db2.gz WZLLYLDLLNSNOL-NHYWBVRUSA-N 1 0 303.393 4.263 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001308723820 1066200328 /nfs/dbraw/zinc/20/03/28/1066200328.db2.gz HYWNAAYIBQRFBO-SWLSCSKDSA-N 1 0 308.347 4.023 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1F ZINC001308737664 1066213493 /nfs/dbraw/zinc/21/34/93/1066213493.db2.gz KSKGNQNDHNRQHA-YJBOKZPZSA-N 1 0 312.363 4.262 20 30 DIEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1csc(C#N)c1 ZINC001308745061 1066219370 /nfs/dbraw/zinc/21/93/70/1066219370.db2.gz SACSQRVXIKRUKK-QGZVFWFLSA-N 1 0 300.427 4.211 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001308751709 1066224148 /nfs/dbraw/zinc/22/41/48/1066224148.db2.gz WNAUMWVICLWAAT-LUKYLMHMSA-N 1 0 324.509 4.355 20 30 DIEDRO N#Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cs1 ZINC001308750995 1066224168 /nfs/dbraw/zinc/22/41/68/1066224168.db2.gz MAGCJOPMJPXEEZ-IPMKNSEASA-N 1 0 308.450 4.388 20 30 DIEDRO C=CCC1(C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CCCC1 ZINC001308763828 1066236437 /nfs/dbraw/zinc/23/64/37/1066236437.db2.gz ZKJPCLWGXXKILS-INIZCTEOSA-N 1 0 317.473 4.448 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC001308769393 1066244154 /nfs/dbraw/zinc/24/41/54/1066244154.db2.gz HBRDBUKZGPFCNB-MLHJIOFPSA-N 1 0 319.493 4.105 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC001308778381 1066250698 /nfs/dbraw/zinc/25/06/98/1066250698.db2.gz HDLBYKRCOLDKIO-SJORKVTESA-N 1 0 304.453 4.377 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001308786213 1066261119 /nfs/dbraw/zinc/26/11/19/1066261119.db2.gz KSVYQSUWJSVVCU-ORAYPTAESA-N 1 0 317.354 4.389 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccccc1SC)c1ccc(F)cc1 ZINC001308786114 1066262608 /nfs/dbraw/zinc/26/26/08/1066262608.db2.gz JAWHSOGBJMEREH-RDTXWAMCSA-N 1 0 313.441 4.443 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001308804883 1066281009 /nfs/dbraw/zinc/28/10/09/1066281009.db2.gz XUHBPFKZFDZKKD-KBAYOESNSA-N 1 0 300.446 4.104 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001308804885 1066281396 /nfs/dbraw/zinc/28/13/96/1066281396.db2.gz XUHBPFKZFDZKKD-NJAFHUGGSA-N 1 0 300.446 4.104 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2(C)C)ccc1C#N ZINC001308825274 1066301323 /nfs/dbraw/zinc/30/13/23/1066301323.db2.gz XRWWTQGCIAJPLY-IBGZPJMESA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nccc2ccccc21 ZINC001308836699 1066311833 /nfs/dbraw/zinc/31/18/33/1066311833.db2.gz VKAMASSQRBMALJ-OAHLLOKOSA-N 1 0 301.393 4.152 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC001308840336 1066317295 /nfs/dbraw/zinc/31/72/95/1066317295.db2.gz GIMUOINAQXTIFL-IBGZPJMESA-N 1 0 311.473 4.169 20 30 DIEDRO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001308849202 1066328105 /nfs/dbraw/zinc/32/81/05/1066328105.db2.gz BFRSFSMOVOIIBK-IBGZPJMESA-N 1 0 312.363 4.000 20 30 DIEDRO CCSc1ccccc1C[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC001308861520 1066341921 /nfs/dbraw/zinc/34/19/21/1066341921.db2.gz YOBQFXVLLGFUEV-INIZCTEOSA-N 1 0 324.493 4.434 20 30 DIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC001308867104 1066349366 /nfs/dbraw/zinc/34/93/66/1066349366.db2.gz JHWJUQBGQCOHGO-HOTGVXAUSA-N 1 0 300.446 4.251 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001308876067 1066356201 /nfs/dbraw/zinc/35/62/01/1066356201.db2.gz IBXAYDWXCOTUNT-HOTGVXAUSA-N 1 0 324.509 4.214 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCC2(CC2)CC1 ZINC001308887035 1066369564 /nfs/dbraw/zinc/36/95/64/1066369564.db2.gz DIXBUSNRYUTCRJ-UHFFFAOYSA-N 1 0 303.833 4.118 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC001308895153 1066375986 /nfs/dbraw/zinc/37/59/86/1066375986.db2.gz NAGQGDSNXYWEKO-UYAOXDASSA-N 1 0 314.517 4.479 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)CCc1ccc(F)cc1Cl ZINC001308909935 1066388362 /nfs/dbraw/zinc/38/83/62/1066388362.db2.gz VZHJIURLZRZRPJ-UHFFFAOYSA-N 1 0 316.807 4.068 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1COc2cccc(Br)c2C1 ZINC001308913090 1066392465 /nfs/dbraw/zinc/39/24/65/1066392465.db2.gz KGLBWHJUSUIHQV-QWHCGFSZSA-N 1 0 324.262 4.087 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC001308915267 1066393737 /nfs/dbraw/zinc/39/37/37/1066393737.db2.gz SZQYKCGRAQVRAW-CQSZACIVSA-N 1 0 316.272 4.233 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001308919172 1066396612 /nfs/dbraw/zinc/39/66/12/1066396612.db2.gz PKHQFNZQVKXLPJ-CZUORRHYSA-N 1 0 315.379 4.463 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001308928744 1066403296 /nfs/dbraw/zinc/40/32/96/1066403296.db2.gz SVIJHOAGHSBEMV-UHFFFAOYSA-N 1 0 324.509 4.263 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H](C)CC(C)(C)C#N)C2CCC2)cc1 ZINC001308965160 1066423934 /nfs/dbraw/zinc/42/39/34/1066423934.db2.gz LGYAKFDFZRDJMW-RDTXWAMCSA-N 1 0 300.446 4.454 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000096969257 185394339 /nfs/dbraw/zinc/39/43/39/185394339.db2.gz DRBPWZXRCHCYGD-UHFFFAOYSA-N 1 0 306.409 4.113 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000090117409 185283029 /nfs/dbraw/zinc/28/30/29/185283029.db2.gz DCTOIWJJSJHNBI-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000280896336 334966832 /nfs/dbraw/zinc/96/68/32/334966832.db2.gz QNYDDJOKZPIEGE-KKVAFCGZSA-N 1 0 311.425 4.177 20 30 DIEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072776342 191227723 /nfs/dbraw/zinc/22/77/23/191227723.db2.gz IMVMIFBSYJFPHF-RHSMWYFYSA-N 1 0 324.428 4.009 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000280968899 334974769 /nfs/dbraw/zinc/97/47/69/334974769.db2.gz ZXYAXBMNGVWJEU-SNPRPXQTSA-N 1 0 322.518 4.381 20 30 DIEDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000091307715 193036898 /nfs/dbraw/zinc/03/68/98/193036898.db2.gz KHDPEISVDFTPRS-CABCVRRESA-N 1 0 318.424 4.340 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1ccc(C)cc1C[NH+](C)C)c1ccccc1 ZINC000134747443 335008150 /nfs/dbraw/zinc/00/81/50/335008150.db2.gz NZHGRDZRBHJANX-KRWDZBQOSA-N 1 0 322.452 4.355 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccco1 ZINC000285915757 335027616 /nfs/dbraw/zinc/02/76/16/335027616.db2.gz CDZVASXRKXXAEF-GOSISDBHSA-N 1 0 321.424 4.477 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccco1 ZINC000285932374 335028315 /nfs/dbraw/zinc/02/83/15/335028315.db2.gz CYOKPNDNZKOCSM-HZPDHXFCSA-N 1 0 321.486 4.321 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(OCC)c1)c1ccco1 ZINC000285956009 335028167 /nfs/dbraw/zinc/02/81/67/335028167.db2.gz GKWOTBHSKQNNTD-MRXNPFEDSA-N 1 0 315.413 4.484 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000426037610 335042862 /nfs/dbraw/zinc/04/28/62/335042862.db2.gz VLVWCUFQBROLDB-WDEREUQCSA-N 1 0 302.315 4.469 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cc1 ZINC000135667446 335043532 /nfs/dbraw/zinc/04/35/32/335043532.db2.gz OHRRHHPGPUEWCN-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000121837847 195359147 /nfs/dbraw/zinc/35/91/47/195359147.db2.gz PXHHWSXBRBRTIB-KSSFIOAISA-N 1 0 324.424 4.377 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1F ZINC000272307473 130019007 /nfs/dbraw/zinc/01/90/07/130019007.db2.gz SNZZMAUKWUIHLU-CYBMUJFWSA-N 1 0 310.372 4.046 20 30 DIEDRO COCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000272597405 130045612 /nfs/dbraw/zinc/04/56/12/130045612.db2.gz INKSJNNYBTXUBP-GUYCJALGSA-N 1 0 316.376 4.027 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(Cl)ccc1O ZINC000273344737 130109717 /nfs/dbraw/zinc/10/97/17/130109717.db2.gz AJXRDGNILJPXSZ-LBPRGKRZSA-N 1 0 312.800 4.257 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273526571 130132248 /nfs/dbraw/zinc/13/22/48/130132248.db2.gz QRBRMTAVFPYTGU-WOJBJXKFSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000273914867 130185623 /nfs/dbraw/zinc/18/56/23/130185623.db2.gz IYTNUGOTDHGXQJ-YMTQGWHGSA-N 1 0 320.436 4.039 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1cccs1)c1ccc(C#N)cc1 ZINC000278641847 130709092 /nfs/dbraw/zinc/70/90/92/130709092.db2.gz HOLHQYUUHBLWDT-JQFCIGGWSA-N 1 0 314.454 4.173 20 30 DIEDRO COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000289367392 131378566 /nfs/dbraw/zinc/37/85/66/131378566.db2.gz ZWXOPDLHQHUKFM-SJKOYZFVSA-N 1 0 310.372 4.044 20 30 DIEDRO COC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000290244511 131468640 /nfs/dbraw/zinc/46/86/40/131468640.db2.gz JLJGGJBHBAHQJG-SCLBCKFNSA-N 1 0 314.816 4.250 20 30 DIEDRO C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1ccc(C#N)cc1 ZINC000298385130 132060110 /nfs/dbraw/zinc/06/01/10/132060110.db2.gz FBCFNAFVSHBLSE-HNNXBMFYSA-N 1 0 323.415 4.148 20 30 DIEDRO COc1ccc(C[NH2+]C2CCCCCC2)cc1OCCCC#N ZINC000064613356 335078191 /nfs/dbraw/zinc/07/81/91/335078191.db2.gz WUOKUGRFKFCPLM-UHFFFAOYSA-N 1 0 316.445 4.190 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291155574 335078824 /nfs/dbraw/zinc/07/88/24/335078824.db2.gz HSPZTCBDPMSFLU-RDJZCZTQSA-N 1 0 315.461 4.002 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(SC)cc2)cc1C#N ZINC000282367255 332836174 /nfs/dbraw/zinc/83/61/74/332836174.db2.gz WQIRDQIPORLCCY-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000186709109 331469559 /nfs/dbraw/zinc/46/95/59/331469559.db2.gz SMRQUKODKSGVDF-CZUORRHYSA-N 1 0 316.470 4.015 20 30 DIEDRO CCCNc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000521320273 331522373 /nfs/dbraw/zinc/52/23/73/331522373.db2.gz MXCVAIGZFRQWQM-FQEVSTJZSA-N 1 0 305.425 4.157 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000179663977 331533140 /nfs/dbraw/zinc/53/31/40/331533140.db2.gz OFUKJMPOEGDDKD-UHFFFAOYSA-N 1 0 324.399 4.265 20 30 DIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)o1 ZINC000521334845 331548862 /nfs/dbraw/zinc/54/88/62/331548862.db2.gz CWRIKMXDRNPPOC-DNVCBOLYSA-N 1 0 324.424 4.375 20 30 DIEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000530879669 331632248 /nfs/dbraw/zinc/63/22/48/331632248.db2.gz CJJDQRFHAWZQJL-HNNXBMFYSA-N 1 0 304.846 4.384 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCOCc1ccccc1)CC2 ZINC000564424703 331670062 /nfs/dbraw/zinc/67/00/62/331670062.db2.gz WURFUOIXIKUYLM-OAQYLSRUSA-N 1 0 320.436 4.132 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C[C@@H]3CCC4(CCCCC4)O3)CC2)c1 ZINC000556511377 331711546 /nfs/dbraw/zinc/71/15/46/331711546.db2.gz HJMGNWJWQGXGPY-SFHVURJKSA-N 1 0 310.441 4.019 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000556611768 331720280 /nfs/dbraw/zinc/72/02/80/331720280.db2.gz WLEDZNOTJMHNCQ-MKBNYLNASA-N 1 0 323.278 4.486 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)c(C)c1OC ZINC000558154100 331880213 /nfs/dbraw/zinc/88/02/13/331880213.db2.gz RVLDJMBMLDALLF-HNNXBMFYSA-N 1 0 324.424 4.043 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000558467458 331910288 /nfs/dbraw/zinc/91/02/88/331910288.db2.gz WNGMJCNLHKBWAP-DOPJRALCSA-N 1 0 308.416 4.044 20 30 DIEDRO C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)c1c(Cl)cccc1Cl ZINC000558506909 331915122 /nfs/dbraw/zinc/91/51/22/331915122.db2.gz VIHCTMAOQLIZQP-RYUDHWBXSA-N 1 0 310.228 4.130 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000449188566 331941286 /nfs/dbraw/zinc/94/12/86/331941286.db2.gz SJWWOXZJODLIEM-LQULJDIASA-N 1 0 302.384 4.417 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)C1 ZINC000559153806 331983016 /nfs/dbraw/zinc/98/30/16/331983016.db2.gz LEFIOUKTVXHADF-JKSUJKDBSA-N 1 0 302.368 4.136 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518246496 332000336 /nfs/dbraw/zinc/00/03/36/332000336.db2.gz KSVDYFHPAHDVCS-MDOVXXIYSA-N 1 0 306.409 4.053 20 30 DIEDRO C=CCOCC[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000559247442 332001866 /nfs/dbraw/zinc/00/18/66/332001866.db2.gz AQHBTJRLWCOTJG-HNNXBMFYSA-N 1 0 300.229 4.237 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)c1 ZINC000127939514 332009263 /nfs/dbraw/zinc/00/92/63/332009263.db2.gz URUKHPNZKCSHJQ-AWEZNQCLSA-N 1 0 302.830 4.440 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)cc1 ZINC000127937822 332009310 /nfs/dbraw/zinc/00/93/10/332009310.db2.gz YLWPEOGXZOSEFG-CQSZACIVSA-N 1 0 302.830 4.440 20 30 DIEDRO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000520042377 332030885 /nfs/dbraw/zinc/03/08/85/332030885.db2.gz CPQNRPWQJYKBQI-SFHVURJKSA-N 1 0 312.363 4.044 20 30 DIEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000409447331 332031759 /nfs/dbraw/zinc/03/17/59/332031759.db2.gz KFTDKCHXDBXEMI-WMZOPIPTSA-N 1 0 300.446 4.168 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000409447350 332031958 /nfs/dbraw/zinc/03/19/58/332031958.db2.gz OURGKGOUPUETFS-UHFFFAOYSA-N 1 0 313.470 4.416 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000409446906 332032565 /nfs/dbraw/zinc/03/25/65/332032565.db2.gz WMZQHSUJKUIUKX-QGZVFWFLSA-N 1 0 302.487 4.497 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CCc1nc2ccccc2s1 ZINC000409447432 332032822 /nfs/dbraw/zinc/03/28/22/332032822.db2.gz GTHXZLZEDHHPPC-UHFFFAOYSA-N 1 0 324.449 4.193 20 30 DIEDRO CCCCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000409458821 332034012 /nfs/dbraw/zinc/03/40/12/332034012.db2.gz KJIBRZDGCRAVRY-UHFFFAOYSA-N 1 0 308.425 4.417 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1Cc2ccccc2C1 ZINC000569399256 332074655 /nfs/dbraw/zinc/07/46/55/332074655.db2.gz LIECUYUPAVOIJF-FGZHOGPDSA-N 1 0 316.448 4.173 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1Cc2ccccc2C1 ZINC000569399258 332074684 /nfs/dbraw/zinc/07/46/84/332074684.db2.gz LIECUYUPAVOIJF-YADHBBJMSA-N 1 0 316.448 4.173 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000090665346 332092040 /nfs/dbraw/zinc/09/20/40/332092040.db2.gz RFLBZNZDXADWDL-UZLBHIALSA-N 1 0 307.441 4.448 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)CCC2 ZINC000090665134 332092082 /nfs/dbraw/zinc/09/20/82/332092082.db2.gz QBGWTYAIUUPGOC-WBVHZDCISA-N 1 0 311.454 4.464 20 30 DIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000090665196 332092202 /nfs/dbraw/zinc/09/22/02/332092202.db2.gz LFTXHJZGEPWUFP-FOIQADDNSA-N 1 0 321.424 4.341 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1OC ZINC000090664621 332092230 /nfs/dbraw/zinc/09/22/30/332092230.db2.gz WPMWBVNJTJAMAK-MAUKXSAKSA-N 1 0 324.424 4.399 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000090665347 332092270 /nfs/dbraw/zinc/09/22/70/332092270.db2.gz RFLBZNZDXADWDL-OXJNMPFZSA-N 1 0 307.441 4.448 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000090665852 332092407 /nfs/dbraw/zinc/09/24/07/332092407.db2.gz RJHSVZHKKOICMS-RHSMWYFYSA-N 1 0 308.381 4.111 20 30 DIEDRO Cc1ccc2oc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2c1 ZINC000564470260 332131946 /nfs/dbraw/zinc/13/19/46/332131946.db2.gz GIPJPFBZBNNVPI-IBGZPJMESA-N 1 0 302.377 4.390 20 30 DIEDRO C=C(C)CN(C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000181252513 332188124 /nfs/dbraw/zinc/18/81/24/332188124.db2.gz DXBRYMBAULHJQW-UHFFFAOYSA-N 1 0 302.462 4.380 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC000449446550 332201179 /nfs/dbraw/zinc/20/11/79/332201179.db2.gz RENHLWHHRIKGAS-AAEUAGOBSA-N 1 0 303.456 4.044 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(F)cc1Br ZINC000236818655 332203627 /nfs/dbraw/zinc/20/36/27/332203627.db2.gz CAOSJVVUQUXPJP-UHFFFAOYSA-N 1 0 313.214 4.008 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000358048831 332206319 /nfs/dbraw/zinc/20/63/19/332206319.db2.gz QRZNGIVRINKSNI-SMDDNHRTSA-N 1 0 310.235 4.217 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000538196175 332209640 /nfs/dbraw/zinc/20/96/40/332209640.db2.gz XBLMIPRHEIUWJC-ZIAGYGMSSA-N 1 0 319.445 4.389 20 30 DIEDRO N#CCCCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000102397868 332225480 /nfs/dbraw/zinc/22/54/80/332225480.db2.gz YGTFXOBXRVXZLE-UHFFFAOYSA-N 1 0 307.235 4.112 20 30 DIEDRO CCOc1ccccc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000236941189 332251544 /nfs/dbraw/zinc/25/15/44/332251544.db2.gz HLNMVKNKBUBIHK-UHFFFAOYSA-N 1 0 324.424 4.058 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559399592 332256203 /nfs/dbraw/zinc/25/62/03/332256203.db2.gz JMZDWUZCNBZKSU-INIZCTEOSA-N 1 0 306.837 4.123 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2c(C)onc2CC)cc1Cl ZINC000292918447 335097908 /nfs/dbraw/zinc/09/79/08/335097908.db2.gz IBEIEYPHVBTNBT-UHFFFAOYSA-N 1 0 320.820 4.053 20 30 DIEDRO COc1ccc([C@H]([NH2+]CCCCC#N)c2ccc(F)cc2)cc1 ZINC000109790734 332284069 /nfs/dbraw/zinc/28/40/69/332284069.db2.gz FXOVLWTWBIZCCS-LJQANCHMSA-N 1 0 312.388 4.207 20 30 DIEDRO CC(C)(C)[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000560243009 332322179 /nfs/dbraw/zinc/32/21/79/332322179.db2.gz XMAUTHLDALHMGB-LJQANCHMSA-N 1 0 318.424 4.083 20 30 DIEDRO CCC(CC)(C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)SC ZINC000224699919 332336471 /nfs/dbraw/zinc/33/64/71/332336471.db2.gz DUFLMPGFMVMJMN-AWEZNQCLSA-N 1 0 306.475 4.161 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccco1 ZINC000560521421 332350012 /nfs/dbraw/zinc/35/00/12/332350012.db2.gz OTSIXSOPNYPRPP-HUUCEWRRSA-N 1 0 304.459 4.241 20 30 DIEDRO C[C@@H](C[N@H+](C)CC(C)(C)C#N)c1cccc(Br)c1 ZINC000560569156 332360975 /nfs/dbraw/zinc/36/09/75/332360975.db2.gz CQTCRESICPDBJV-LBPRGKRZSA-N 1 0 309.251 4.034 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)cc1 ZINC000560571954 332362530 /nfs/dbraw/zinc/36/25/30/332362530.db2.gz PARAPJXSCHJYTK-JLTOFOAXSA-N 1 0 311.400 4.414 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000561455663 332452208 /nfs/dbraw/zinc/45/22/08/332452208.db2.gz KGXZJNYWDYABJZ-CZAAIQMYSA-N 1 0 320.436 4.438 20 30 DIEDRO CSc1ccc(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000562099409 332546517 /nfs/dbraw/zinc/54/65/17/332546517.db2.gz CZUOBHHRQMUNCZ-IBGZPJMESA-N 1 0 308.450 4.100 20 30 DIEDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151377243 332574327 /nfs/dbraw/zinc/57/43/27/332574327.db2.gz YVZORLDSRVLCIF-CYBMUJFWSA-N 1 0 314.816 4.461 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCO[C@@H]1CC(C)C)c1ccc(C#N)cc1 ZINC000562603404 332608325 /nfs/dbraw/zinc/60/83/25/332608325.db2.gz OBFDHJBKPSOJFZ-IPMKNSEASA-N 1 0 300.446 4.193 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCc1scnc1C)c1ccc(F)c(F)c1 ZINC000187788351 332628876 /nfs/dbraw/zinc/62/88/76/332628876.db2.gz ZVXQAWQQTLTACM-INIZCTEOSA-N 1 0 308.397 4.179 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464093547 332641980 /nfs/dbraw/zinc/64/19/80/332641980.db2.gz HILHRBAMYUGQFG-VQTJNVASSA-N 1 0 312.501 4.199 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000569860993 332687376 /nfs/dbraw/zinc/68/73/76/332687376.db2.gz OVARLJVRKMIDMX-GFCCVEGCSA-N 1 0 318.289 4.245 20 30 DIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000171769685 333054291 /nfs/dbraw/zinc/05/42/91/333054291.db2.gz BHSBNFWKLPKGLQ-UHFFFAOYSA-N 1 0 324.424 4.058 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(CC#N)cc2)C2CC2)c(F)c1 ZINC000518769018 333063421 /nfs/dbraw/zinc/06/34/21/333063421.db2.gz ASELGKHODDYBAY-FQEVSTJZSA-N 1 0 324.399 4.141 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000172620587 333065538 /nfs/dbraw/zinc/06/55/38/333065538.db2.gz GBIWWMJIEMDOEP-GOSISDBHSA-N 1 0 316.351 4.108 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(Br)c1 ZINC000442791849 335119434 /nfs/dbraw/zinc/11/94/34/335119434.db2.gz KQDJPPRGOSDQHQ-IUODEOHRSA-N 1 0 321.262 4.009 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000174057195 333081514 /nfs/dbraw/zinc/08/15/14/333081514.db2.gz WUFFAICHAFEATL-MRXNPFEDSA-N 1 0 321.424 4.283 20 30 DIEDRO CCOc1c(Cl)cc(C[NH2+]CC(C)(C)CCC#N)cc1OC ZINC000174282026 333084491 /nfs/dbraw/zinc/08/44/91/333084491.db2.gz FWDLWJDHKJRZFY-UHFFFAOYSA-N 1 0 324.852 4.167 20 30 DIEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174294179 333084534 /nfs/dbraw/zinc/08/45/34/333084534.db2.gz OBTARHDAQKJJEY-HNNXBMFYSA-N 1 0 315.461 4.091 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000174323590 333085082 /nfs/dbraw/zinc/08/50/82/333085082.db2.gz QJDBPQFHDSSFPC-UHFFFAOYSA-N 1 0 313.214 4.008 20 30 DIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000174347482 333085230 /nfs/dbraw/zinc/08/52/30/333085230.db2.gz AODODQOKLFKBOA-HNNXBMFYSA-N 1 0 320.502 4.343 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000174592968 333088256 /nfs/dbraw/zinc/08/82/56/333088256.db2.gz WFUHQKPMXHDIPR-UHFFFAOYSA-N 1 0 303.837 4.283 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)c(OC)c1 ZINC000174812045 333090964 /nfs/dbraw/zinc/09/09/64/333090964.db2.gz YQALULZWSJRWJR-KRWDZBQOSA-N 1 0 316.445 4.171 20 30 DIEDRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCCCC#N ZINC000584330746 333117972 /nfs/dbraw/zinc/11/79/72/333117972.db2.gz HLHFNZTXMNRAKQ-AWEZNQCLSA-N 1 0 321.262 4.280 20 30 DIEDRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCCCC#N ZINC000584330747 333118021 /nfs/dbraw/zinc/11/80/21/333118021.db2.gz HLHFNZTXMNRAKQ-CQSZACIVSA-N 1 0 321.262 4.280 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000582129977 333124346 /nfs/dbraw/zinc/12/43/46/333124346.db2.gz LORJKACKWTWAFC-UONOGXRCSA-N 1 0 313.832 4.231 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(N2CCCCC2)c(F)c1 ZINC000178641303 333141759 /nfs/dbraw/zinc/14/17/59/333141759.db2.gz JYVIOIJSXIMQBB-HNNXBMFYSA-N 1 0 303.425 4.160 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]CCCCC#N)c2cccc(Br)c21 ZINC000178647478 333141967 /nfs/dbraw/zinc/14/19/67/333141967.db2.gz DVMUGHFSOXECRQ-SMDDNHRTSA-N 1 0 307.235 4.281 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000180548935 333162975 /nfs/dbraw/zinc/16/29/75/333162975.db2.gz KZDNNLYWPYIPSI-SFHVURJKSA-N 1 0 312.800 4.019 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180550151 333162997 /nfs/dbraw/zinc/16/29/97/333162997.db2.gz OPPWJWIAIFUXAK-XOBRGWDASA-N 1 0 324.399 4.141 20 30 DIEDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180556995 333163128 /nfs/dbraw/zinc/16/31/28/333163128.db2.gz RRFXPNHUARZFEM-DNVCBOLYSA-N 1 0 306.409 4.236 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000180551206 333163145 /nfs/dbraw/zinc/16/31/45/333163145.db2.gz XVVANPYINHEHQU-LJQANCHMSA-N 1 0 306.409 4.101 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)ccc1Cl ZINC000180887821 333165815 /nfs/dbraw/zinc/16/58/15/333165815.db2.gz XDEBLBVDHJDWGI-CQSZACIVSA-N 1 0 314.816 4.402 20 30 DIEDRO Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181828562 333172808 /nfs/dbraw/zinc/17/28/08/333172808.db2.gz MUCPKNJUZPGDLW-SJORKVTESA-N 1 0 324.424 4.016 20 30 DIEDRO Cc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181828602 333172823 /nfs/dbraw/zinc/17/28/23/333172823.db2.gz MUCPKNJUZPGDLW-IAGOWNOFSA-N 1 0 324.424 4.016 20 30 DIEDRO Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181828583 333172963 /nfs/dbraw/zinc/17/29/63/333172963.db2.gz MUCPKNJUZPGDLW-DLBZAZTESA-N 1 0 324.424 4.016 20 30 DIEDRO Cc1oc2ccccc2c1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000182199618 333176799 /nfs/dbraw/zinc/17/67/99/333176799.db2.gz WMVBHMMVEMRCOV-CQSZACIVSA-N 1 0 320.392 4.494 20 30 DIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCC#N ZINC000184087813 333191720 /nfs/dbraw/zinc/19/17/20/333191720.db2.gz JTOPOVGMFFNMLV-LLVKDONJSA-N 1 0 303.406 4.212 20 30 DIEDRO COc1ccccc1[C@H](C[NH2+]CC(C)(C)CCC#N)OC(C)C ZINC000185723717 333212741 /nfs/dbraw/zinc/21/27/41/333212741.db2.gz URCIIUKAWANAOL-SFHVURJKSA-N 1 0 318.461 4.081 20 30 DIEDRO COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185819937 333214618 /nfs/dbraw/zinc/21/46/18/333214618.db2.gz SMKOVJCGHBHLRP-PMPSAXMXSA-N 1 0 318.486 4.095 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000497185313 333218391 /nfs/dbraw/zinc/21/83/91/333218391.db2.gz ZDAJJJJDQAYXJU-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000497263091 333228678 /nfs/dbraw/zinc/22/86/78/333228678.db2.gz RUCPKRJTEZDBPJ-CJNGLKHVSA-N 1 0 308.853 4.336 20 30 DIEDRO C[N@H+](Cc1ccoc1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000497474636 333254746 /nfs/dbraw/zinc/25/47/46/333254746.db2.gz OFTSKUAZDWGMIA-UHFFFAOYSA-N 1 0 302.377 4.450 20 30 DIEDRO CC[N@H+](CCCOc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497609004 333268629 /nfs/dbraw/zinc/26/86/29/333268629.db2.gz CXRIYOKWNUYPRS-KRWDZBQOSA-N 1 0 308.425 4.410 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191651600 333281423 /nfs/dbraw/zinc/28/14/23/333281423.db2.gz JNZKORISGJJUFA-UHFFFAOYSA-N 1 0 319.452 4.262 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192043493 333284661 /nfs/dbraw/zinc/28/46/61/333284661.db2.gz JTKMBWSIHKZDPO-HOTGVXAUSA-N 1 0 306.837 4.090 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193001536 333297199 /nfs/dbraw/zinc/29/71/99/333297199.db2.gz OVESALLMLMUCTI-GFOFROLCSA-N 1 0 306.837 4.088 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193001562 333297252 /nfs/dbraw/zinc/29/72/52/333297252.db2.gz OVESALLMLMUCTI-WRFANHODSA-N 1 0 306.837 4.088 20 30 DIEDRO Cc1cccc([C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccn2)c1 ZINC000193062254 333298059 /nfs/dbraw/zinc/29/80/59/333298059.db2.gz WJPWYYLSYYZRMX-ILZDJORESA-N 1 0 305.425 4.151 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CCC)CC2CCCC2)CC1 ZINC000499828565 333314295 /nfs/dbraw/zinc/31/42/95/333314295.db2.gz AEXLDQFCKMRVDH-GOSISDBHSA-N 1 0 320.521 4.140 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000194921453 333317796 /nfs/dbraw/zinc/31/77/96/333317796.db2.gz QQEFQEAMDYOSHG-CQSZACIVSA-N 1 0 312.438 4.162 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1OC ZINC000119372172 333352071 /nfs/dbraw/zinc/35/20/71/333352071.db2.gz FVULGHQWZQAECW-INIZCTEOSA-N 1 0 313.397 4.020 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018699 333353733 /nfs/dbraw/zinc/35/37/33/333353733.db2.gz RORATRYAPWQCMU-XHDPSFHLSA-N 1 0 302.245 4.361 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000531451451 333355765 /nfs/dbraw/zinc/35/57/65/333355765.db2.gz GONXEGUPCAIWGW-PWSUYJOCSA-N 1 0 302.365 4.078 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000531451449 333355784 /nfs/dbraw/zinc/35/57/84/333355784.db2.gz GONXEGUPCAIWGW-JQWIXIFHSA-N 1 0 302.365 4.078 20 30 DIEDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000583454397 333357196 /nfs/dbraw/zinc/35/71/96/333357196.db2.gz IXZVTRJPKAMKTA-QGZVFWFLSA-N 1 0 300.446 4.285 20 30 DIEDRO CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000463295904 333371186 /nfs/dbraw/zinc/37/11/86/333371186.db2.gz QJSQYGOJIDASJM-DOTOQJQBSA-N 1 0 300.446 4.035 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2F)cc1 ZINC000393465517 333409924 /nfs/dbraw/zinc/40/99/24/333409924.db2.gz WJBWIYISKCDAOH-ZDUSSCGKSA-N 1 0 303.352 4.380 20 30 DIEDRO C[C@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(C#N)cc1 ZINC000320155016 333431138 /nfs/dbraw/zinc/43/11/38/333431138.db2.gz JWINCRAVKJJVPB-INIZCTEOSA-N 1 0 303.409 4.254 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000320264763 333486279 /nfs/dbraw/zinc/48/62/79/333486279.db2.gz KNANYTQXIXXDPA-BDAKNGLRSA-N 1 0 308.636 4.234 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000124613673 333497343 /nfs/dbraw/zinc/49/73/43/333497343.db2.gz PWDDWWSLNXQIEO-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO CCC[C@@H]([NH2+]CCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000339072117 333508040 /nfs/dbraw/zinc/50/80/40/333508040.db2.gz TUPBQEIUTIJXIG-OAHLLOKOSA-N 1 0 314.351 4.066 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000048162289 333574685 /nfs/dbraw/zinc/57/46/85/333574685.db2.gz PBSOCKACYMECHW-GFCCVEGCSA-N 1 0 315.214 4.172 20 30 DIEDRO CC[C@H](CC#N)[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000563366614 333597150 /nfs/dbraw/zinc/59/71/50/333597150.db2.gz RXBYPOUMBNXEOF-CQSZACIVSA-N 1 0 314.351 4.146 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000563415719 333602119 /nfs/dbraw/zinc/60/21/19/333602119.db2.gz FMZMHZWGCQOOJA-AWEZNQCLSA-N 1 0 304.434 4.051 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000563415720 333602322 /nfs/dbraw/zinc/60/23/22/333602322.db2.gz FMZMHZWGCQOOJA-CQSZACIVSA-N 1 0 304.434 4.051 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)OCC)cn1)c1ccccc1 ZINC000411476145 333678988 /nfs/dbraw/zinc/67/89/88/333678988.db2.gz UGZDKTRACNBVQS-LJQANCHMSA-N 1 0 324.424 4.055 20 30 DIEDRO N#Cc1cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)ccc1F ZINC000571188091 333679546 /nfs/dbraw/zinc/67/95/46/333679546.db2.gz KCARKZQLYSEPBW-UHFFFAOYSA-N 1 0 300.764 4.130 20 30 DIEDRO CC(C)(C#N)CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412012179 333719347 /nfs/dbraw/zinc/71/93/47/333719347.db2.gz WVROLIYXVLMKKP-SFHVURJKSA-N 1 0 314.473 4.200 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000186068898 335158841 /nfs/dbraw/zinc/15/88/41/335158841.db2.gz UKICJJJMTNHOSW-MRXNPFEDSA-N 1 0 300.446 4.132 20 30 DIEDRO Cc1c([C@H](C)[NH2+]CC(C)(C)CC#N)cnn1-c1cc(C)ccc1C ZINC000414170252 333907182 /nfs/dbraw/zinc/90/71/82/333907182.db2.gz SLYFRUXRKLQWAB-INIZCTEOSA-N 1 0 324.472 4.388 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)c1ccc(C#N)cc1 ZINC000414156863 333914297 /nfs/dbraw/zinc/91/42/97/333914297.db2.gz QZCCYXQCVHJWSY-DOMZBBRYSA-N 1 0 311.454 4.305 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccc(C#N)cc1 ZINC000414161165 333915146 /nfs/dbraw/zinc/91/51/46/333915146.db2.gz ZVPCPLJPTQWLJZ-JXFKEZNVSA-N 1 0 307.441 4.405 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC(C)(C)CC#N)c2ccccc2)cc1 ZINC000414164311 333915850 /nfs/dbraw/zinc/91/58/50/333915850.db2.gz KEBLLRWNPCUUQH-IBGZPJMESA-N 1 0 308.425 4.314 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc(Br)cs1 ZINC000414165110 333916065 /nfs/dbraw/zinc/91/60/65/333916065.db2.gz LIXILROJDZJOTI-SECBINFHSA-N 1 0 301.253 4.101 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(Br)s1 ZINC000414166647 333916320 /nfs/dbraw/zinc/91/63/20/333916320.db2.gz OCAXLCZYRCVMGQ-SECBINFHSA-N 1 0 301.253 4.101 20 30 DIEDRO Cc1ccc(Br)c(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000414251118 333920949 /nfs/dbraw/zinc/92/09/49/333920949.db2.gz GWBQASLRKRBKQX-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000343419527 335163317 /nfs/dbraw/zinc/16/33/17/335163317.db2.gz LVIBHBCRKVJNIW-KRWDZBQOSA-N 1 0 324.449 4.052 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000414355224 333944404 /nfs/dbraw/zinc/94/44/04/333944404.db2.gz YLXDPDQOBMXGEY-UYAOXDASSA-N 1 0 323.415 4.017 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CCCCC#N)ccc1OCCC(C)C ZINC000268912001 333995822 /nfs/dbraw/zinc/99/58/22/333995822.db2.gz OJXRLXKDIGBFDC-MRXNPFEDSA-N 1 0 318.461 4.465 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2cnccc2C(C)(C)C)c1 ZINC000414493795 333997013 /nfs/dbraw/zinc/99/70/13/333997013.db2.gz CJNVZFJWSIIJJY-UHFFFAOYSA-N 1 0 310.441 4.234 20 30 DIEDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000271691881 334025732 /nfs/dbraw/zinc/02/57/32/334025732.db2.gz FERBZZIOOOMVBJ-UHFFFAOYSA-N 1 0 308.425 4.176 20 30 DIEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000271872094 334028023 /nfs/dbraw/zinc/02/80/23/334028023.db2.gz YBYISYARBDAWIK-IBGZPJMESA-N 1 0 324.472 4.390 20 30 DIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000271879840 334028254 /nfs/dbraw/zinc/02/82/54/334028254.db2.gz PCZUWZZXCHBYRJ-LIRRHRJNSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000273167595 334043898 /nfs/dbraw/zinc/04/38/98/334043898.db2.gz BDMVBCHXSWKAAY-GFCCVEGCSA-N 1 0 315.398 4.278 20 30 DIEDRO CC1(C#N)CC[NH+](CCCc2ccccc2Br)CC1 ZINC000273176337 334043906 /nfs/dbraw/zinc/04/39/06/334043906.db2.gz PPUOVUHMPUTGJU-UHFFFAOYSA-N 1 0 321.262 4.007 20 30 DIEDRO CC[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000343521406 335174289 /nfs/dbraw/zinc/17/42/89/335174289.db2.gz UUOABEGNDLUJMQ-GOSISDBHSA-N 1 0 300.352 4.120 20 30 DIEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(SCC(F)(F)F)cc1 ZINC000273202752 334044190 /nfs/dbraw/zinc/04/41/90/334044190.db2.gz IYHJSSLBINURBL-LLVKDONJSA-N 1 0 302.365 4.295 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+]CCC(C)(C)C#N)c(C)c2c1 ZINC000273257809 334044695 /nfs/dbraw/zinc/04/46/95/334044695.db2.gz FIFISIVOGGRIJJ-ZDUSSCGKSA-N 1 0 300.402 4.340 20 30 DIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(CC#N)cc2)s1 ZINC000343525896 335174625 /nfs/dbraw/zinc/17/46/25/335174625.db2.gz KOUZBWOAGQPWHP-AWEZNQCLSA-N 1 0 313.470 4.273 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000275595617 334072117 /nfs/dbraw/zinc/07/21/17/334072117.db2.gz PANQEHWIAKMLDT-RBUKOAKNSA-N 1 0 306.409 4.015 20 30 DIEDRO CCOc1ccc([C@@H]([NH2+]CC2(C#N)CC2)C(C)C)cc1OCC ZINC000343598320 335175711 /nfs/dbraw/zinc/17/57/11/335175711.db2.gz IPGPNCPFJNRAJG-SFHVURJKSA-N 1 0 316.445 4.074 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000276433512 334078162 /nfs/dbraw/zinc/07/81/62/334078162.db2.gz KESPCPGEBUQQCV-FQEVSTJZSA-N 1 0 312.457 4.287 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000277589127 334089147 /nfs/dbraw/zinc/08/91/47/334089147.db2.gz DCBHFWBWCGABLR-KRWDZBQOSA-N 1 0 324.472 4.221 20 30 DIEDRO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000277751371 334090423 /nfs/dbraw/zinc/09/04/23/334090423.db2.gz PPGZRBDXPULLLI-WMZOPIPTSA-N 1 0 300.446 4.168 20 30 DIEDRO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000277751369 334090450 /nfs/dbraw/zinc/09/04/50/334090450.db2.gz PPGZRBDXPULLLI-SJLPKXTDSA-N 1 0 300.446 4.168 20 30 DIEDRO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000277751367 334090592 /nfs/dbraw/zinc/09/05/92/334090592.db2.gz PPGZRBDXPULLLI-FUHWJXTLSA-N 1 0 300.446 4.168 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000277873625 334091531 /nfs/dbraw/zinc/09/15/31/334091531.db2.gz YSUKNJUVOFGWPK-UHFFFAOYSA-N 1 0 300.446 4.250 20 30 DIEDRO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000277861437 334091549 /nfs/dbraw/zinc/09/15/49/334091549.db2.gz YCOGIXDTNTVIOI-GOSISDBHSA-N 1 0 324.472 4.430 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1F ZINC000278360731 334095340 /nfs/dbraw/zinc/09/53/40/334095340.db2.gz IVOYLVRQHAPLRB-SFHVURJKSA-N 1 0 312.388 4.359 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278609665 334098766 /nfs/dbraw/zinc/09/87/66/334098766.db2.gz MMXNOWDSLWTIKA-WBVHZDCISA-N 1 0 307.441 4.348 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(-n2cccn2)c1 ZINC000278648310 334099147 /nfs/dbraw/zinc/09/91/47/334099147.db2.gz HGWSYJUXDCBPSZ-MRXNPFEDSA-N 1 0 310.445 4.243 20 30 DIEDRO CC(C)COC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccco1 ZINC000278665867 334099458 /nfs/dbraw/zinc/09/94/58/334099458.db2.gz HZZSIMQKQCAOCT-MRXNPFEDSA-N 1 0 306.450 4.303 20 30 DIEDRO COc1cc(F)c([C@@H](C)[NH2+]CCCCC(C)(C)C#N)cc1OC ZINC000278766473 334100924 /nfs/dbraw/zinc/10/09/24/334100924.db2.gz MYNYQCLFKDSXEG-CYBMUJFWSA-N 1 0 322.424 4.214 20 30 DIEDRO COc1cc(F)c([C@H](C)[NH2+]CCCCC(C)(C)C#N)cc1OC ZINC000278766484 334100992 /nfs/dbraw/zinc/10/09/92/334100992.db2.gz MYNYQCLFKDSXEG-ZDUSSCGKSA-N 1 0 322.424 4.214 20 30 DIEDRO CC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000278946742 334104030 /nfs/dbraw/zinc/10/40/30/334104030.db2.gz YNYUIGBDFPRYQJ-MRXNPFEDSA-N 1 0 316.445 4.219 20 30 DIEDRO CC(C)(C#N)CCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000279273785 334107239 /nfs/dbraw/zinc/10/72/39/334107239.db2.gz NPZQEOLOLKULOJ-UHFFFAOYSA-N 1 0 318.436 4.137 20 30 DIEDRO Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000279574328 334110282 /nfs/dbraw/zinc/11/02/82/334110282.db2.gz AWMDMMCAKDDNOL-QRFRQXIXSA-N 1 0 305.425 4.151 20 30 DIEDRO C[C@H]([NH2+]CCCc1ccccc1F)c1ccc(OCC#N)cc1 ZINC000280844462 334120529 /nfs/dbraw/zinc/12/05/29/334120529.db2.gz AXTJYIGRWXOGTO-HNNXBMFYSA-N 1 0 312.388 4.011 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000280946157 334121435 /nfs/dbraw/zinc/12/14/35/334121435.db2.gz JGPLMFGIJFRBHY-VBKZILBWSA-N 1 0 324.399 4.456 20 30 DIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)[C@H](C)Cc1ccsc1 ZINC000281321537 334124930 /nfs/dbraw/zinc/12/49/30/334124930.db2.gz LGEVDGCOWUARPP-MRXNPFEDSA-N 1 0 320.502 4.102 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000281373827 334125562 /nfs/dbraw/zinc/12/55/62/334125562.db2.gz WTXULYQIMFOXMS-RTBURBONSA-N 1 0 305.425 4.078 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000281602595 334127203 /nfs/dbraw/zinc/12/72/03/334127203.db2.gz GASQHSARHJYRCW-UHFFFAOYSA-N 1 0 317.483 4.291 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)c1 ZINC000281925591 334129817 /nfs/dbraw/zinc/12/98/17/334129817.db2.gz HNXYZQKKIYXUDS-IBGZPJMESA-N 1 0 312.457 4.233 20 30 DIEDRO Cc1ccc(C[N@@H+](CCCC2(C#N)CCOCC2)C(C)C)s1 ZINC000281958397 334130007 /nfs/dbraw/zinc/13/00/07/334130007.db2.gz KFNZGLOQGRTJEL-UHFFFAOYSA-N 1 0 320.502 4.368 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1cccc2ccccc21 ZINC000282057577 334130951 /nfs/dbraw/zinc/13/09/51/334130951.db2.gz RYDPVIUWRFBSQQ-UHFFFAOYSA-N 1 0 322.452 4.372 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OC(F)F)cc1 ZINC000282069780 334130970 /nfs/dbraw/zinc/13/09/70/334130970.db2.gz BTTVIDSUXTZTDV-IYXRBSQSSA-N 1 0 308.372 4.269 20 30 DIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000282084493 334131151 /nfs/dbraw/zinc/13/11/51/334131151.db2.gz UWCVPKGTLQEPBW-HNNXBMFYSA-N 1 0 320.864 4.433 20 30 DIEDRO Cc1ccccc1[C@@H](C)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000282130573 334131748 /nfs/dbraw/zinc/13/17/48/334131748.db2.gz YSBVSDMRTMKIGZ-QGZVFWFLSA-N 1 0 300.446 4.088 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(OC(F)F)c1 ZINC000282165791 334132173 /nfs/dbraw/zinc/13/21/73/334132173.db2.gz DRNLCOHDIQGAHG-IYXRBSQSSA-N 1 0 308.372 4.269 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000282198692 334132296 /nfs/dbraw/zinc/13/22/96/334132296.db2.gz GSBPTFYPIBBPCF-PMTKGXAQSA-N 1 0 323.415 4.230 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000282214352 334132409 /nfs/dbraw/zinc/13/24/09/334132409.db2.gz DNABTAOQRWHUDY-UHFFFAOYSA-N 1 0 313.832 4.308 20 30 DIEDRO N#CCCCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000282205030 334132519 /nfs/dbraw/zinc/13/25/19/334132519.db2.gz XMJCTBNMYKHPDQ-UHFFFAOYSA-N 1 0 321.262 4.322 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+]CC1CCC(C#N)CC1)CCS2 ZINC000282421635 334134717 /nfs/dbraw/zinc/13/47/17/334134717.db2.gz SRCRQYMKHMODCE-KVULBXGLSA-N 1 0 316.470 4.152 20 30 DIEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OC)c(OC)c1 ZINC000282520722 334135303 /nfs/dbraw/zinc/13/53/03/334135303.db2.gz ZPYJDAULGBUBPD-DQPZFDDXSA-N 1 0 316.445 4.074 20 30 DIEDRO CCOc1ccc([C@@H](COC)[NH2+]CCCCC(C)(C)C#N)cc1 ZINC000283969223 334141893 /nfs/dbraw/zinc/14/18/93/334141893.db2.gz CHCLNULZALVAIV-GOSISDBHSA-N 1 0 318.461 4.082 20 30 DIEDRO Cc1cc2cc(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)ccc2[nH]1 ZINC000285584479 334148752 /nfs/dbraw/zinc/14/87/52/334148752.db2.gz HKQWOKPTRXPTJM-OAHLLOKOSA-N 1 0 319.408 4.230 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287217707 334156727 /nfs/dbraw/zinc/15/67/27/334156727.db2.gz FWQRGRMSWMDNJK-ZOBUZTSGSA-N 1 0 307.397 4.217 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289439473 334165363 /nfs/dbraw/zinc/16/53/63/334165363.db2.gz DOHWRAXXMIKUND-OALUTQOASA-N 1 0 324.468 4.021 20 30 DIEDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290318767 334172372 /nfs/dbraw/zinc/17/23/72/334172372.db2.gz CTTKOYMMBBCWRR-FQEVSTJZSA-N 1 0 322.456 4.015 20 30 DIEDRO Cc1noc(C2CCC([NH2+][C@H](CCC#N)c3ccccc3)CC2)n1 ZINC000292067383 334184220 /nfs/dbraw/zinc/18/42/20/334184220.db2.gz HEFMXKDAPOHJPG-DAWZGUTISA-N 1 0 324.428 4.039 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000292162315 334185159 /nfs/dbraw/zinc/18/51/59/334185159.db2.gz LBJMLGIXVXZFGZ-UXHICEINSA-N 1 0 322.452 4.381 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000293767033 334202133 /nfs/dbraw/zinc/20/21/33/334202133.db2.gz ZNVPUNGYOFKVHO-HDYDNRTBSA-N 1 0 314.473 4.222 20 30 DIEDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CCO1 ZINC000340444269 334203166 /nfs/dbraw/zinc/20/31/66/334203166.db2.gz HWEYPFLZEXJVID-OTWHNJEPSA-N 1 0 300.446 4.215 20 30 DIEDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340445955 334203491 /nfs/dbraw/zinc/20/34/91/334203491.db2.gz MJAGGWFFOIFWAW-SFTDATJTSA-N 1 0 322.452 4.269 20 30 DIEDRO N#CCCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293941505 334203611 /nfs/dbraw/zinc/20/36/11/334203611.db2.gz YRYUHJWVHIADCF-LJQANCHMSA-N 1 0 308.425 4.350 20 30 DIEDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340448446 334204666 /nfs/dbraw/zinc/20/46/66/334204666.db2.gz TUCXEQBGBRNNOS-OTWHNJEPSA-N 1 0 300.446 4.216 20 30 DIEDRO CC(C)(C)OC1CC([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000340456186 334207152 /nfs/dbraw/zinc/20/71/52/334207152.db2.gz VSEPZKZZXTXNDW-ABHNRTSZSA-N 1 0 300.446 4.357 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)cc1 ZINC000294912529 334214177 /nfs/dbraw/zinc/21/41/77/334214177.db2.gz AIZMPGYDQRNPLB-HUBLWGQQSA-N 1 0 307.235 4.182 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000294949533 334214441 /nfs/dbraw/zinc/21/44/41/334214441.db2.gz CXBXAVITPUXSBI-MKBNYLNASA-N 1 0 319.246 4.108 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000294994542 334215242 /nfs/dbraw/zinc/21/52/42/334215242.db2.gz HXIZVOKYODLSAH-GWCFXTLKSA-N 1 0 300.299 4.016 20 30 DIEDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295140026 334219581 /nfs/dbraw/zinc/21/95/81/334219581.db2.gz ZLKUMFOLEPOJKG-XEZPLFJOSA-N 1 0 310.363 4.308 20 30 DIEDRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCCC#N ZINC000295176536 334220353 /nfs/dbraw/zinc/22/03/53/334220353.db2.gz MECOVDULYWCZFP-NSHDSACASA-N 1 0 301.217 4.044 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000467447828 334229426 /nfs/dbraw/zinc/22/94/26/334229426.db2.gz JDOIPENEGMSLQE-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(OCC#N)cc1 ZINC000296357486 334232842 /nfs/dbraw/zinc/23/28/42/334232842.db2.gz IPYIFTMFDUAYEC-SPYBWZPUSA-N 1 0 322.408 4.152 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000296607092 334235327 /nfs/dbraw/zinc/23/53/27/334235327.db2.gz VZVPVLFTEGRJAG-RBOXIYTFSA-N 1 0 324.346 4.244 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000296617307 334235457 /nfs/dbraw/zinc/23/54/57/334235457.db2.gz WQSOGDSTBHHVFD-HZUKXOBISA-N 1 0 319.246 4.108 20 30 DIEDRO N#CCCCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000297897928 334244825 /nfs/dbraw/zinc/24/48/25/334244825.db2.gz VZIYRYVFOKHSRI-MRXNPFEDSA-N 1 0 321.262 4.054 20 30 DIEDRO COc1ccc([C@H]2CC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000187669067 334268672 /nfs/dbraw/zinc/26/86/72/334268672.db2.gz PPMOXFDEEMYCGP-BEFAXECRSA-N 1 0 306.409 4.117 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000187703779 334268982 /nfs/dbraw/zinc/26/89/82/334268982.db2.gz CLPDEADENOLPBR-UZLBHIALSA-N 1 0 305.425 4.196 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000187713332 334269245 /nfs/dbraw/zinc/26/92/45/334269245.db2.gz UFMRVIPOIOXOMS-QGZVFWFLSA-N 1 0 319.452 4.220 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000187708691 334269348 /nfs/dbraw/zinc/26/93/48/334269348.db2.gz MBNZJJANNJNOTF-MRXNPFEDSA-N 1 0 312.457 4.290 20 30 DIEDRO C=CC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000111258903 334314315 /nfs/dbraw/zinc/31/43/15/334314315.db2.gz XWAVTLDGYIJZJP-UHFFFAOYSA-N 1 0 320.436 4.190 20 30 DIEDRO C=CC1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000111259332 334314620 /nfs/dbraw/zinc/31/46/20/334314620.db2.gz SWTVWWATBQBJDI-UHFFFAOYSA-N 1 0 304.340 4.018 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccccc2C#N)C12CCCCC2 ZINC000303840185 334336296 /nfs/dbraw/zinc/33/62/96/334336296.db2.gz BMDOMZAZHWGDJZ-OALUTQOASA-N 1 0 312.457 4.118 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(C)(C)CCC#N)c1 ZINC000535080327 334365656 /nfs/dbraw/zinc/36/56/56/334365656.db2.gz SNXZOEVFTJNRDF-KRWDZBQOSA-N 1 0 300.446 4.032 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccccc2C(C)(C)C)CC1 ZINC000535089594 334369058 /nfs/dbraw/zinc/36/90/58/334369058.db2.gz ROXOTJXLLKOPHI-MRXNPFEDSA-N 1 0 300.490 4.285 20 30 DIEDRO CCCC[N@H+](CC)Cc1cccc(CNc2cccc(C#N)n2)c1 ZINC000535134750 334373920 /nfs/dbraw/zinc/37/39/20/334373920.db2.gz UFTDMLDRFBOODP-UHFFFAOYSA-N 1 0 322.456 4.187 20 30 DIEDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000443207854 338447373 /nfs/dbraw/zinc/44/73/73/338447373.db2.gz LFWOMFMDQSXGKK-FVJLSDCUSA-N 1 0 321.468 4.209 20 30 DIEDRO CC(C)n1ccc(C[C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)n1 ZINC000341366135 334435754 /nfs/dbraw/zinc/43/57/54/334435754.db2.gz XMSWYOXJQWOVRZ-VQIMIIECSA-N 1 0 310.445 4.030 20 30 DIEDRO COc1cc(C)ccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341712471 334472844 /nfs/dbraw/zinc/47/28/44/334472844.db2.gz PSCYBTYTQOXGJP-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO N#CCCCC[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000341849974 334487617 /nfs/dbraw/zinc/48/76/17/334487617.db2.gz BRWOMXVFCJZFJA-FQEVSTJZSA-N 1 0 308.425 4.228 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(Cl)c1 ZINC000342728460 334569605 /nfs/dbraw/zinc/56/96/05/334569605.db2.gz MSBCCSLGJYNENK-QGZVFWFLSA-N 1 0 324.815 4.100 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCCc4cc(F)ccc43)CC2)c1 ZINC000342771971 334575180 /nfs/dbraw/zinc/57/51/80/334575180.db2.gz AFDJFSFWBKUCOY-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000157777959 338456308 /nfs/dbraw/zinc/45/63/08/338456308.db2.gz HJERBZVBKLVKJB-LJQANCHMSA-N 1 0 308.425 4.444 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417306631 334704455 /nfs/dbraw/zinc/70/44/55/334704455.db2.gz CWCAGVQWQYYURF-IBGZPJMESA-N 1 0 321.380 4.024 20 30 DIEDRO CCOc1c(Cl)cccc1C[NH2+]CC1CCC(C#N)CC1 ZINC000441374942 334705995 /nfs/dbraw/zinc/70/59/95/334705995.db2.gz IKQDMOWFWRWNJY-UHFFFAOYSA-N 1 0 306.837 4.158 20 30 DIEDRO CC(C)COc1cccc(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000441375912 334706706 /nfs/dbraw/zinc/70/67/06/334706706.db2.gz JOUIMASXLZDODJ-UHFFFAOYSA-N 1 0 300.446 4.141 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000417363462 334744444 /nfs/dbraw/zinc/74/44/44/334744444.db2.gz KQNFPMJBWJSAEG-SPLOXXLWSA-N 1 0 318.420 4.317 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000417368529 334764457 /nfs/dbraw/zinc/76/44/57/334764457.db2.gz PXJCSBBKGXJQRO-RBUKOAKNSA-N 1 0 324.374 4.491 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CCSCC1 ZINC000417372008 334764995 /nfs/dbraw/zinc/76/49/95/334764995.db2.gz VJIPSJILMKPMBW-SCLBCKFNSA-N 1 0 300.471 4.057 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cn1 ZINC000417374646 334765278 /nfs/dbraw/zinc/76/52/78/334765278.db2.gz YHPADSZTBJBORL-XIKOKIGWSA-N 1 0 311.816 4.335 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000417376852 334765517 /nfs/dbraw/zinc/76/55/17/334765517.db2.gz CLBLKIZPISMVPT-SFTDATJTSA-N 1 0 318.420 4.221 20 30 DIEDRO CCC[N@H+](Cc1cn(C(C)C)nc1C)Cc1ccc(C#N)cc1 ZINC000343618643 335182078 /nfs/dbraw/zinc/18/20/78/335182078.db2.gz UBCJTJVNDPLTOZ-UHFFFAOYSA-N 1 0 310.445 4.056 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000343697303 335188815 /nfs/dbraw/zinc/18/88/15/335188815.db2.gz RWQGVOJFBWTAJJ-FPOVZHCZSA-N 1 0 320.436 4.010 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000343764140 335191302 /nfs/dbraw/zinc/19/13/02/335191302.db2.gz WQIVENFZAHLESJ-LJQANCHMSA-N 1 0 308.425 4.392 20 30 DIEDRO Cc1nc(-c2ccc(C[NH2+][C@H](C)c3cccc(C#N)c3)o2)cs1 ZINC000344085006 335216476 /nfs/dbraw/zinc/21/64/76/335216476.db2.gz LFSPPGWXOQRYOA-GFCCVEGCSA-N 1 0 323.421 4.434 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(C#N)cc1F ZINC000344376669 335248118 /nfs/dbraw/zinc/24/81/18/335248118.db2.gz MAQCXPAXTKWVOW-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2ccsc2)CC1 ZINC000344539026 335255856 /nfs/dbraw/zinc/25/58/56/335255856.db2.gz YUFVBCJQMIOOIN-UHFFFAOYSA-N 1 0 312.438 4.100 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2cc(C)oc2C)cc(OC)c1O ZINC000113330311 335324799 /nfs/dbraw/zinc/32/47/99/335324799.db2.gz CNBOJPPGECLEJL-ZDUSSCGKSA-N 1 0 315.413 4.190 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000348222994 335563229 /nfs/dbraw/zinc/56/32/29/335563229.db2.gz XGRMIZABZGUXBA-WMZOPIPTSA-N 1 0 300.446 4.074 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1nc(C(F)(F)F)cs1 ZINC000348246145 335567312 /nfs/dbraw/zinc/56/73/12/335567312.db2.gz RZABFGHKTLXQOU-VIFPVBQESA-N 1 0 305.369 4.142 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000349443703 335672575 /nfs/dbraw/zinc/67/25/75/335672575.db2.gz AGXFSINONRRUPW-RISCZKNCSA-N 1 0 310.235 4.217 20 30 DIEDRO C=CCOCCC[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000583573254 335738811 /nfs/dbraw/zinc/73/88/11/335738811.db2.gz OVTBBHFTQUBIQD-UHFFFAOYSA-N 1 0 310.441 4.007 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CC(OCc2cccc3ccccc32)C1 ZINC000536663440 335854296 /nfs/dbraw/zinc/85/42/96/335854296.db2.gz KTSCUKKDOYBRFT-UHFFFAOYSA-N 1 0 322.452 4.371 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccc(F)c2ccccc21 ZINC000520650120 335997336 /nfs/dbraw/zinc/99/73/36/335997336.db2.gz KSOYNUOWGDKLTG-CYBMUJFWSA-N 1 0 302.418 4.276 20 30 DIEDRO CC1(c2cccc(Br)c2)CC[NH+](CCCC#N)CC1 ZINC000351808698 336069734 /nfs/dbraw/zinc/06/97/34/336069734.db2.gz KGNGJVVTPBAXPE-UHFFFAOYSA-N 1 0 321.262 4.106 20 30 DIEDRO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1Cl ZINC000330228470 336126989 /nfs/dbraw/zinc/12/69/89/336126989.db2.gz VKKLZTDBRXEMHB-HNNXBMFYSA-N 1 0 321.808 4.163 20 30 DIEDRO Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c(O)c1 ZINC000330254473 336130094 /nfs/dbraw/zinc/13/00/94/336130094.db2.gz AWQUOAHFXQSAMA-MRXNPFEDSA-N 1 0 302.418 4.086 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1nc(C2CCCCC2)no1 ZINC000333548644 336205393 /nfs/dbraw/zinc/20/53/93/336205393.db2.gz MDXKNKWSNMQIDI-MJJDPTRDSA-N 1 0 316.449 4.240 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000532466428 336249262 /nfs/dbraw/zinc/24/92/62/336249262.db2.gz QBHMDENUVCZUIL-OWCLPIDISA-N 1 0 308.425 4.410 20 30 DIEDRO C=CCOc1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1Cl ZINC000532501548 336252399 /nfs/dbraw/zinc/25/23/99/336252399.db2.gz PMLZGOHTTSTRPL-UHFFFAOYSA-N 1 0 317.816 4.242 20 30 DIEDRO C=CCCC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000532572120 336255971 /nfs/dbraw/zinc/25/59/71/336255971.db2.gz BBTSHRHFRCNGKF-UHFFFAOYSA-N 1 0 315.244 4.220 20 30 DIEDRO CN(C)c1ccccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000532590373 336256668 /nfs/dbraw/zinc/25/66/68/336256668.db2.gz WETVWRSXSNDXOH-CTNGQTDRSA-N 1 0 319.452 4.024 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCCc2occc21 ZINC000192749261 336260401 /nfs/dbraw/zinc/26/04/01/336260401.db2.gz HTMIBDQGGAYILI-QGZVFWFLSA-N 1 0 312.438 4.052 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CCO1 ZINC000580381724 336262930 /nfs/dbraw/zinc/26/29/30/336262930.db2.gz SJSUVQIQHVETNW-RLLQIKCJSA-N 1 0 312.457 4.119 20 30 DIEDRO COc1ccc(C[N@H+](C)Cc2csc3ccccc23)cc1C#N ZINC000532745077 336269268 /nfs/dbraw/zinc/26/92/68/336269268.db2.gz GMEZRHKAQUNJED-UHFFFAOYSA-N 1 0 322.433 4.414 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1nc(C)cc(C)c1C#N)c1ccccc1 ZINC000325013696 336276736 /nfs/dbraw/zinc/27/67/36/336276736.db2.gz COKXGWIPQBEGHH-LJQANCHMSA-N 1 0 322.456 4.065 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000192905317 336283831 /nfs/dbraw/zinc/28/38/31/336283831.db2.gz DUODSTQBOJZVDT-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000192977820 336286407 /nfs/dbraw/zinc/28/64/07/336286407.db2.gz UHUGGXIMRCHKSF-CHWSQXEVSA-N 1 0 316.351 4.279 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000192999233 336286717 /nfs/dbraw/zinc/28/67/17/336286717.db2.gz YBAWNDSAQAPDGH-MGPUTAFESA-N 1 0 324.424 4.399 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193018583 336287027 /nfs/dbraw/zinc/28/70/27/336287027.db2.gz PNRYBXZKAMXTAR-KBXCAEBGSA-N 1 0 324.449 4.477 20 30 DIEDRO C[C@@H]([NH2+]C1(CNc2ncccc2C#N)CCCC1)c1ccccc1 ZINC000301158235 336292547 /nfs/dbraw/zinc/29/25/47/336292547.db2.gz CVJQMTRZPBJPQH-MRXNPFEDSA-N 1 0 320.440 4.029 20 30 DIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC000301250759 336296912 /nfs/dbraw/zinc/29/69/12/336296912.db2.gz POBWGWZRNRVCJQ-QGZVFWFLSA-N 1 0 317.795 4.066 20 30 DIEDRO Cc1cc(NCCCCC#N)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301366443 336302778 /nfs/dbraw/zinc/30/27/78/336302778.db2.gz QXLDICCOCLPBOB-UHFFFAOYSA-N 1 0 305.328 4.250 20 30 DIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000301386055 336303809 /nfs/dbraw/zinc/30/38/09/336303809.db2.gz CNSGCPWHXWZRGL-OAHLLOKOSA-N 1 0 323.415 4.335 20 30 DIEDRO N#Cc1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000301543595 336313733 /nfs/dbraw/zinc/31/37/33/336313733.db2.gz SRUQRWRWYSQRJZ-INIZCTEOSA-N 1 0 315.417 4.008 20 30 DIEDRO CC1CC[NH+](C2CCC(Nc3ccc(C#N)cc3F)CC2)CC1 ZINC000301762069 336328308 /nfs/dbraw/zinc/32/83/08/336328308.db2.gz DDFTWWUVSPWCBV-UHFFFAOYSA-N 1 0 315.436 4.152 20 30 DIEDRO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000302836987 336371574 /nfs/dbraw/zinc/37/15/74/336371574.db2.gz XAWMMTGKUMXJFF-QZTJIDSGSA-N 1 0 311.816 4.069 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1OC ZINC000352935461 336378302 /nfs/dbraw/zinc/37/83/02/336378302.db2.gz OVXDESAPKLCNJN-QGZVFWFLSA-N 1 0 301.430 4.025 20 30 DIEDRO Cc1cscc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352951697 336378981 /nfs/dbraw/zinc/37/89/81/336378981.db2.gz VKOHNUSYCUSJOM-UHFFFAOYSA-N 1 0 310.344 4.237 20 30 DIEDRO Cc1ccccc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353030082 336382939 /nfs/dbraw/zinc/38/29/39/336382939.db2.gz RTPOSLYKOQBWNO-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO CCCC[C@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000563950451 336388124 /nfs/dbraw/zinc/38/81/24/336388124.db2.gz KOXBLJBHRBGTRP-KRWDZBQOSA-N 1 0 324.472 4.474 20 30 DIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2cccc(C#N)c2)ccn1 ZINC000111387518 336398214 /nfs/dbraw/zinc/39/82/14/336398214.db2.gz NSQLLVFODVGDCL-INIZCTEOSA-N 1 0 323.440 4.056 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000353272298 336409398 /nfs/dbraw/zinc/40/93/98/336409398.db2.gz LNEBSALWOZJDKL-QZTJIDSGSA-N 1 0 306.434 4.372 20 30 DIEDRO Cc1ccncc1CCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353912657 336447445 /nfs/dbraw/zinc/44/74/45/336447445.db2.gz FRLJTMYRKMKQQC-HXUWFJFHSA-N 1 0 307.441 4.347 20 30 DIEDRO COc1ccsc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353913165 336447723 /nfs/dbraw/zinc/44/77/23/336447723.db2.gz HHBQKZSWDSPXTR-OAHLLOKOSA-N 1 0 300.427 4.281 20 30 DIEDRO Cc1csc(CCCC[NH2+][C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358559862 336634576 /nfs/dbraw/zinc/63/45/76/336634576.db2.gz DQFAOAUWYWBLHQ-CYBMUJFWSA-N 1 0 317.433 4.136 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(C#N)cc1F ZINC000358564974 336634788 /nfs/dbraw/zinc/63/47/88/336634788.db2.gz YXZKZPBUIDEEPV-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO COC1CCC(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360664297 336718176 /nfs/dbraw/zinc/71/81/76/336718176.db2.gz ORGUDWLECSIPKL-UPQHMETBSA-N 1 0 312.457 4.121 20 30 DIEDRO CC1CCC(OC2CC[NH+](CC#Cc3ccccc3)CC2)CC1 ZINC000361835125 336774836 /nfs/dbraw/zinc/77/48/36/336774836.db2.gz ZJUNKNCMWBRPOU-UHFFFAOYSA-N 1 0 311.469 4.098 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C3CC3)cc2)ccc1C#N ZINC000418118129 336869475 /nfs/dbraw/zinc/86/94/75/336869475.db2.gz VKRLFUMHXKDCIP-CQSZACIVSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(OCC#N)cc1 ZINC000369707104 336869970 /nfs/dbraw/zinc/86/99/70/336869970.db2.gz POSJJNFGEWXMNT-LSBZLQRGSA-N 1 0 324.399 4.325 20 30 DIEDRO C=CCC[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccco1 ZINC000370730360 336892216 /nfs/dbraw/zinc/89/22/16/336892216.db2.gz NKGDUFNBYZCAQQ-UYSNPLJNSA-N 1 0 315.417 4.294 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000418144753 336896795 /nfs/dbraw/zinc/89/67/95/336896795.db2.gz LAWGHZNEECBOSM-KRWDZBQOSA-N 1 0 316.326 4.143 20 30 DIEDRO N#CC1(CCC[N@@H+]2Cc3ccccc3C3(CCC3)C2)CCOCC1 ZINC000375690151 337016634 /nfs/dbraw/zinc/01/66/34/337016634.db2.gz OXIBMOPRYDDKIB-UHFFFAOYSA-N 1 0 324.468 4.024 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)c1cccc(C#N)c1 ZINC000376179127 337028989 /nfs/dbraw/zinc/02/89/89/337028989.db2.gz XSTZZUUNMUPPHQ-HRAATJIYSA-N 1 0 320.436 4.377 20 30 DIEDRO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCCCC#N)cc1F ZINC000378169659 337067631 /nfs/dbraw/zinc/06/76/31/337067631.db2.gz PTSSBOZIVACLHZ-DOTOQJQBSA-N 1 0 304.409 4.144 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000582621332 337115803 /nfs/dbraw/zinc/11/58/03/337115803.db2.gz MCIGYQQVVRTXCZ-DOTOQJQBSA-N 1 0 323.502 4.266 20 30 DIEDRO C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C#N)cc1F ZINC000023356114 337130538 /nfs/dbraw/zinc/13/05/38/337130538.db2.gz RPYJJPHLUZEEAQ-NSHDSACASA-N 1 0 304.315 4.169 20 30 DIEDRO CC[C@@H](c1ccc(F)cc1F)[N@H+](C)Cc1cccc(C#N)c1 ZINC000532899494 337148261 /nfs/dbraw/zinc/14/82/61/337148261.db2.gz CCRHZPCTLYSOEL-SFHVURJKSA-N 1 0 300.352 4.420 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000176747990 337151987 /nfs/dbraw/zinc/15/19/87/337151987.db2.gz ZBNDTECPVGPQSN-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000177909165 337158964 /nfs/dbraw/zinc/15/89/64/337158964.db2.gz CFXIUCDJVUGCRP-ZDUSSCGKSA-N 1 0 312.379 4.006 20 30 DIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCO2 ZINC000178177050 337161191 /nfs/dbraw/zinc/16/11/91/337161191.db2.gz QKQCPPVUTUGFCV-KUHUBIRLSA-N 1 0 322.408 4.131 20 30 DIEDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCO2 ZINC000178642771 337165701 /nfs/dbraw/zinc/16/57/01/337165701.db2.gz PRMWMMRXHGCHFJ-IFXJQAMLSA-N 1 0 322.408 4.131 20 30 DIEDRO Cc1c([C@H](C)[NH2+]CCCCC#N)cnn1-c1cccc(Cl)c1 ZINC000178640652 337165706 /nfs/dbraw/zinc/16/57/06/337165706.db2.gz KZGJTHGGCQYOBX-ZDUSSCGKSA-N 1 0 316.836 4.179 20 30 DIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCO2 ZINC000178642782 337165759 /nfs/dbraw/zinc/16/57/59/337165759.db2.gz PRMWMMRXHGCHFJ-LIRRHRJNSA-N 1 0 322.408 4.131 20 30 DIEDRO C=CCCOCC[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000222450619 337178503 /nfs/dbraw/zinc/17/85/03/337178503.db2.gz TYLVMSSCVJXLTJ-OAHLLOKOSA-N 1 0 312.251 4.083 20 30 DIEDRO C=CCC[N@@H+](C)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000467288910 337202489 /nfs/dbraw/zinc/20/24/89/337202489.db2.gz AAGVVMAFJMNGQS-UHFFFAOYSA-N 1 0 302.443 4.217 20 30 DIEDRO N#CCc1ccc(C[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000582844935 337208588 /nfs/dbraw/zinc/20/85/88/337208588.db2.gz UQFXRHRVPHTCMN-UHFFFAOYSA-N 1 0 310.344 4.123 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000583024656 337226657 /nfs/dbraw/zinc/22/66/57/337226657.db2.gz GKQIXBAUVBBEFZ-HXUWFJFHSA-N 1 0 308.425 4.392 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)ccc1C#N ZINC000583077175 337236317 /nfs/dbraw/zinc/23/63/17/337236317.db2.gz HFSGTFNSXYYJSF-SFHVURJKSA-N 1 0 306.409 4.079 20 30 DIEDRO C=CCCC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000583097617 337240500 /nfs/dbraw/zinc/24/05/00/337240500.db2.gz QHUMCVNOSXNLNG-UHFFFAOYSA-N 1 0 311.828 4.127 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000185869466 337252271 /nfs/dbraw/zinc/25/22/71/337252271.db2.gz SKMUURJAOUMEGB-ROUUACIJSA-N 1 0 320.521 4.092 20 30 DIEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000187577326 337267099 /nfs/dbraw/zinc/26/70/99/337267099.db2.gz JONQMFPRDXEGAA-VQIMIIECSA-N 1 0 322.456 4.084 20 30 DIEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000187577371 337267136 /nfs/dbraw/zinc/26/71/36/337267136.db2.gz JONQMFPRDXEGAA-QFBILLFUSA-N 1 0 322.456 4.084 20 30 DIEDRO CCC(CC)[N@H+](CCC(=O)Nc1ccccc1C#N)CC(C)C ZINC000321683261 337284327 /nfs/dbraw/zinc/28/43/27/337284327.db2.gz UMKRWAKPCQDPHP-UHFFFAOYSA-N 1 0 315.461 4.033 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583266760 337296388 /nfs/dbraw/zinc/29/63/88/337296388.db2.gz VWTVGYLJKLGZEC-KBXCAEBGSA-N 1 0 321.380 4.050 20 30 DIEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)CCC2 ZINC000191510760 337298729 /nfs/dbraw/zinc/29/87/29/337298729.db2.gz MEZIQZKCWQPBCQ-HXUWFJFHSA-N 1 0 307.441 4.187 20 30 DIEDRO Cc1ccsc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237778437 337469390 /nfs/dbraw/zinc/46/93/90/337469390.db2.gz BVZKXMSFQXXBIH-UHFFFAOYSA-N 1 0 300.427 4.029 20 30 DIEDRO N#Cc1ccc(CNc2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC000421319125 337525938 /nfs/dbraw/zinc/52/59/38/337525938.db2.gz KHBLHURIAIUOPX-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421335750 337527098 /nfs/dbraw/zinc/52/70/98/337527098.db2.gz UGBYUOMFJJYVJM-QGZVFWFLSA-N 1 0 312.388 4.402 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)cc1F ZINC000421345735 337527719 /nfs/dbraw/zinc/52/77/19/337527719.db2.gz XOXCUQYFZIAPGH-UHFFFAOYSA-N 1 0 324.399 4.309 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000571934557 337582315 /nfs/dbraw/zinc/58/23/15/337582315.db2.gz QNMZWJWYTYYGJT-RBBKRZOGSA-N 1 0 318.464 4.370 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000571988967 337585435 /nfs/dbraw/zinc/58/54/35/337585435.db2.gz LCIIWZDKAKGGOL-CHWSQXEVSA-N 1 0 303.381 4.189 20 30 DIEDRO CC(C)CCOc1ccc(C[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000572120387 337591604 /nfs/dbraw/zinc/59/16/04/337591604.db2.gz USCMZOHKWVXFEL-UHFFFAOYSA-N 1 0 322.452 4.467 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc3c(n2)CCCC3)c1 ZINC000262966831 337622642 /nfs/dbraw/zinc/62/26/42/337622642.db2.gz RDPFMSAISGNMIU-UHFFFAOYSA-N 1 0 322.456 4.011 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C)c(C)n2)cc1 ZINC000263199707 337625377 /nfs/dbraw/zinc/62/53/77/337625377.db2.gz XBUXGXIHUTWUBL-CYBMUJFWSA-N 1 0 310.445 4.139 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000572433044 337642486 /nfs/dbraw/zinc/64/24/86/337642486.db2.gz DKQSFZMFPIOYLL-UHFFFAOYSA-N 1 0 300.421 4.262 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000271508266 337644954 /nfs/dbraw/zinc/64/49/54/337644954.db2.gz MYKCFFUOVOYCHX-YCPHGPKFSA-N 1 0 309.837 4.036 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272396002 337647967 /nfs/dbraw/zinc/64/79/67/337647967.db2.gz WNXMGKVKKWCALC-LJQANCHMSA-N 1 0 314.448 4.002 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000273507217 337655469 /nfs/dbraw/zinc/65/54/69/337655469.db2.gz REIDNCMYTFFOHX-SQGPQFPESA-N 1 0 317.473 4.256 20 30 DIEDRO C=CC[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275583378 337662635 /nfs/dbraw/zinc/66/26/35/337662635.db2.gz DVAMBVRKUMHPJW-IBGZPJMESA-N 1 0 322.452 4.089 20 30 DIEDRO C=CCCCCCN(C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275611774 337662728 /nfs/dbraw/zinc/66/27/28/337662728.db2.gz ILMYFMLXSJZUOE-UHFFFAOYSA-N 1 0 317.477 4.001 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000424119841 337743685 /nfs/dbraw/zinc/74/36/85/337743685.db2.gz DGRAEYPWSFKYHV-ZETOZRRWSA-N 1 0 300.229 4.235 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000536857043 337746219 /nfs/dbraw/zinc/74/62/19/337746219.db2.gz JHBUQVZFKYGDJT-INIZCTEOSA-N 1 0 315.486 4.472 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCSCc1ccccc1C#N)C1CC1 ZINC000536863349 337746997 /nfs/dbraw/zinc/74/69/97/337746997.db2.gz LYLIROLKRDVCJC-GOSISDBHSA-N 1 0 300.471 4.126 20 30 DIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000536863368 337747012 /nfs/dbraw/zinc/74/70/12/337747012.db2.gz LPIFWNZCOYWYRP-OOHWJJMZSA-N 1 0 310.397 4.192 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCCOC2CCCCC2)c(F)c1 ZINC000532987305 337804156 /nfs/dbraw/zinc/80/41/56/337804156.db2.gz TVGOWVOAOKRZKM-UHFFFAOYSA-N 1 0 318.436 4.307 20 30 DIEDRO COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424195639 337805988 /nfs/dbraw/zinc/80/59/88/337805988.db2.gz MKXJUBGVXWVOPT-HNAYVOBHSA-N 1 0 306.409 4.144 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000424290355 337813742 /nfs/dbraw/zinc/81/37/42/337813742.db2.gz BMOTXRJHCRTXNL-CQDKDKBSSA-N 1 0 309.862 4.058 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424318668 337820060 /nfs/dbraw/zinc/82/00/60/337820060.db2.gz DEUQVVQIMITVCN-VNHYZAJKSA-N 1 0 306.837 4.470 20 30 DIEDRO COc1ccc([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H](C#N)C2)cc1F ZINC000424328492 337821686 /nfs/dbraw/zinc/82/16/86/337821686.db2.gz ODOJLCIYOCFJAN-ZDRJDWQYSA-N 1 0 316.420 4.142 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000424332564 337822430 /nfs/dbraw/zinc/82/24/30/337822430.db2.gz SZYVNHJMJAPHBT-FUHIMQAGSA-N 1 0 304.437 4.489 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000424332848 337822445 /nfs/dbraw/zinc/82/24/45/337822445.db2.gz TWJKWKARIVADGO-CVAIRZPRSA-N 1 0 308.400 4.391 20 30 DIEDRO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424335064 337822581 /nfs/dbraw/zinc/82/25/81/337822581.db2.gz WLEKZVYLVSWZCS-ZSXHRAQDSA-N 1 0 312.457 4.392 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000116926430 337844695 /nfs/dbraw/zinc/84/46/95/337844695.db2.gz VQAFFZZTJRKVFC-GFCCVEGCSA-N 1 0 322.861 4.430 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000536994977 337860458 /nfs/dbraw/zinc/86/04/58/337860458.db2.gz GCMIMRSKPRRMNE-OAHLLOKOSA-N 1 0 313.445 4.124 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000536995390 337860464 /nfs/dbraw/zinc/86/04/64/337860464.db2.gz HVONNUBBZMEIRR-HNNXBMFYSA-N 1 0 318.436 4.221 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(NC(=O)NC(C)C)cc1)C1CC1 ZINC000120370057 337872905 /nfs/dbraw/zinc/87/29/05/337872905.db2.gz VKTBQPFLIWVOMT-SFHVURJKSA-N 1 0 315.461 4.051 20 30 DIEDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665712 337884041 /nfs/dbraw/zinc/88/40/41/337884041.db2.gz YMLQWLKJCABYBN-OXQOHEQNSA-N 1 0 308.425 4.261 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000537095289 337889543 /nfs/dbraw/zinc/88/95/43/337889543.db2.gz RWTPFUMNWMQYMX-CZUORRHYSA-N 1 0 315.379 4.177 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000537100280 337890399 /nfs/dbraw/zinc/89/03/99/337890399.db2.gz MWZTVXCHALAOMR-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000121878652 337900233 /nfs/dbraw/zinc/90/02/33/337900233.db2.gz ILTTVZKLXURZHU-HXUWFJFHSA-N 1 0 318.420 4.050 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000092195672 337901307 /nfs/dbraw/zinc/90/13/07/337901307.db2.gz MMYUBASAUJFKMC-UHFFFAOYSA-N 1 0 314.473 4.040 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000092758769 337908088 /nfs/dbraw/zinc/90/80/88/337908088.db2.gz NJXLCNHJXMZVAX-UHFFFAOYSA-N 1 0 315.457 4.175 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000537292275 337928505 /nfs/dbraw/zinc/92/85/05/337928505.db2.gz UITVYSHYRWCDIO-FQEVSTJZSA-N 1 0 306.409 4.116 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Oc1ccc(Cl)cc1 ZINC000537294114 337928781 /nfs/dbraw/zinc/92/87/81/337928781.db2.gz VKUUDBUCMPWUDM-KGLIPLIRSA-N 1 0 314.816 4.330 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000537297408 337929156 /nfs/dbraw/zinc/92/91/56/337929156.db2.gz ZDPYFFIXDDLWLD-GKCIPKSASA-N 1 0 324.399 4.268 20 30 DIEDRO COc1cccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000537305340 337929985 /nfs/dbraw/zinc/92/99/85/337929985.db2.gz NRJACLHFFSBULP-OAHLLOKOSA-N 1 0 308.425 4.195 20 30 DIEDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000537308502 337930275 /nfs/dbraw/zinc/93/02/75/337930275.db2.gz XNYLVVKNUZWNRT-HNNXBMFYSA-N 1 0 308.425 4.195 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000515917307 338001075 /nfs/dbraw/zinc/00/10/75/338001075.db2.gz AMDKQNLFYSLCFV-UHFFFAOYSA-N 1 0 319.880 4.182 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCC[C@@H](F)C2)CC1 ZINC000516181649 338005981 /nfs/dbraw/zinc/00/59/81/338005981.db2.gz OVCBPCUXCXGBND-RRENTHDGSA-N 1 0 300.421 4.261 20 30 DIEDRO CC[N@H+](CCOc1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000516197578 338007084 /nfs/dbraw/zinc/00/70/84/338007084.db2.gz ITTABEVWLUXSMJ-HNNXBMFYSA-N 1 0 312.388 4.159 20 30 DIEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)CC1(O)CCCCCC1 ZINC000426205989 338022909 /nfs/dbraw/zinc/02/29/09/338022909.db2.gz YKUDVONJPPFASD-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO C[C@H](C1CC1)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000426365357 338028973 /nfs/dbraw/zinc/02/89/73/338028973.db2.gz LRFQZHAXRAEMBV-CYBMUJFWSA-N 1 0 307.359 4.320 20 30 DIEDRO Cc1ccc([C@@H]2CCCN2Cc2cccc(F)c2C#N)s1 ZINC000428246193 338044098 /nfs/dbraw/zinc/04/40/98/338044098.db2.gz RBTBOSIMWGAEIP-INIZCTEOSA-N 1 0 300.402 4.404 20 30 DIEDRO C[C@@H](NCc1cccc(F)c1C#N)c1cccc(OC(F)F)c1 ZINC000428333765 338047666 /nfs/dbraw/zinc/04/76/66/338047666.db2.gz VRPJYSNSWIFULN-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000428688799 338058648 /nfs/dbraw/zinc/05/86/48/338058648.db2.gz PAVLFUVPGBOJMA-FPOVZHCZSA-N 1 0 323.436 4.119 20 30 DIEDRO N#CCC1(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000430045584 338094518 /nfs/dbraw/zinc/09/45/18/338094518.db2.gz KVRUAEWTPSAWPD-UHFFFAOYSA-N 1 0 318.848 4.445 20 30 DIEDRO C=C(C)COc1cc(C[N@H+](C)Cc2occc2C)ccc1OC ZINC000430132498 338098402 /nfs/dbraw/zinc/09/84/02/338098402.db2.gz MGJWRMSSIMHPQA-UHFFFAOYSA-N 1 0 315.413 4.184 20 30 DIEDRO CC[C@H]1CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000430205348 338101259 /nfs/dbraw/zinc/10/12/59/338101259.db2.gz MVEYLYLTRMXVSW-IBGZPJMESA-N 1 0 306.409 4.122 20 30 DIEDRO N#CCC1(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000430724823 338112389 /nfs/dbraw/zinc/11/23/89/338112389.db2.gz OYRIIOXMRIJRAD-LJQANCHMSA-N 1 0 308.400 4.393 20 30 DIEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(Br)c1 ZINC000430758298 338113916 /nfs/dbraw/zinc/11/39/16/338113916.db2.gz CFEQGPOJVWLWBU-AWEZNQCLSA-N 1 0 307.235 4.184 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000430874418 338117720 /nfs/dbraw/zinc/11/77/20/338117720.db2.gz CTRQNQFUXLBKLG-ZFWWWQNUSA-N 1 0 308.347 4.235 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430881787 338117973 /nfs/dbraw/zinc/11/79/73/338117973.db2.gz FKOPLXIXTSCZHF-GJZGRUSLSA-N 1 0 308.347 4.235 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000433012484 338176136 /nfs/dbraw/zinc/17/61/36/338176136.db2.gz TVVYCZFAJLQSLT-HXUWFJFHSA-N 1 0 308.425 4.480 20 30 DIEDRO COc1ccc(CC[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433019918 338176569 /nfs/dbraw/zinc/17/65/69/338176569.db2.gz QMSZAGPQUKLNGC-FQEVSTJZSA-N 1 0 308.425 4.262 20 30 DIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1 ZINC000433025790 338177088 /nfs/dbraw/zinc/17/70/88/338177088.db2.gz MQHWKXHLMXXMOK-SFTDATJTSA-N 1 0 322.452 4.005 20 30 DIEDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000433052432 338178819 /nfs/dbraw/zinc/17/88/19/338178819.db2.gz MGTQRYIIFRIJGD-VQIMIIECSA-N 1 0 322.456 4.084 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC2(SC)CCC2)ccc1OC ZINC000433208795 338186081 /nfs/dbraw/zinc/18/60/81/338186081.db2.gz OONAOIQOTIZEJU-UHFFFAOYSA-N 1 0 321.486 4.025 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434682841 338223259 /nfs/dbraw/zinc/22/32/59/338223259.db2.gz BFQJFVGGNNXVEO-MRXNPFEDSA-N 1 0 301.478 4.144 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000435666493 338244647 /nfs/dbraw/zinc/24/46/47/338244647.db2.gz YUDJDSFEABGVAS-NOLJZWGESA-N 1 0 313.363 4.337 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000435731237 338246705 /nfs/dbraw/zinc/24/67/05/338246705.db2.gz ITVXVJZYLDQFCY-GDBMZVCRSA-N 1 0 313.363 4.085 20 30 DIEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000435736206 338246916 /nfs/dbraw/zinc/24/69/16/338246916.db2.gz UZBVIXKXRCTIOG-RTBURBONSA-N 1 0 300.446 4.022 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000435736491 338246977 /nfs/dbraw/zinc/24/69/77/338246977.db2.gz AQWLKCVTAUDICX-UYAOXDASSA-N 1 0 317.473 4.182 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000435736207 338247010 /nfs/dbraw/zinc/24/70/10/338247010.db2.gz UZDBRSHHSLBQLD-FXAWDEMLSA-N 1 0 315.457 4.079 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000435738795 338247145 /nfs/dbraw/zinc/24/71/45/338247145.db2.gz CJZXLRUAKKADLQ-NHYWBVRUSA-N 1 0 318.219 4.203 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC000435741262 338247314 /nfs/dbraw/zinc/24/73/14/338247314.db2.gz IKKVNQNUTMHSCU-FHYOKYKPSA-N 1 0 305.849 4.314 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000435743494 338247504 /nfs/dbraw/zinc/24/75/04/338247504.db2.gz AFZWGHRUGGEWDV-XLIONFOSSA-N 1 0 315.457 4.079 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1csc(Cl)c1Cl ZINC000435745100 338247580 /nfs/dbraw/zinc/24/75/80/338247580.db2.gz JLQHFPWRQSJQEO-JOYOIKCWSA-N 1 0 306.258 4.126 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000435749860 338247824 /nfs/dbraw/zinc/24/78/24/338247824.db2.gz LQHYXJWOZPQLTA-LIRRHRJNSA-N 1 0 315.388 4.157 20 30 DIEDRO C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000436283218 338265722 /nfs/dbraw/zinc/26/57/22/338265722.db2.gz LEFRERIHFLYPOS-JXFKEZNVSA-N 1 0 311.473 4.006 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000436283563 338265786 /nfs/dbraw/zinc/26/57/86/338265786.db2.gz LSHRSOQVZLDWOU-JQHSSLGASA-N 1 0 318.417 4.007 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000436285708 338266020 /nfs/dbraw/zinc/26/60/20/338266020.db2.gz PMRXKYUIFXPCNI-SZXPJGKVSA-N 1 0 307.865 4.403 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000436289718 338266472 /nfs/dbraw/zinc/26/64/72/338266472.db2.gz HCNHQCFHAJDEOX-HFTRVMKXSA-N 1 0 305.487 4.430 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1OCC ZINC000436291818 338266571 /nfs/dbraw/zinc/26/65/71/338266571.db2.gz QXUBAKMVPHZDNI-GLJUWKHASA-N 1 0 323.864 4.371 20 30 DIEDRO C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291071 338266575 /nfs/dbraw/zinc/26/65/75/338266575.db2.gz KPHDBFQKXCKRTF-OXJNMPFZSA-N 1 0 311.473 4.006 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1OCC ZINC000436291820 338266613 /nfs/dbraw/zinc/26/66/13/338266613.db2.gz QXUBAKMVPHZDNI-IYOUNJFTSA-N 1 0 323.864 4.371 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000436300809 338267568 /nfs/dbraw/zinc/26/75/68/338267568.db2.gz KVXSLNSMFADYML-SUMDDJOVSA-N 1 0 303.446 4.107 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000436302322 338267593 /nfs/dbraw/zinc/26/75/93/338267593.db2.gz SWFNCEQRMMDROR-POAQFYNOSA-N 1 0 317.473 4.353 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000436304277 338267867 /nfs/dbraw/zinc/26/78/67/338267867.db2.gz DDWPJEDUOMWOQW-NOLJZWGESA-N 1 0 313.363 4.337 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccccc1SCC ZINC000436305438 338267969 /nfs/dbraw/zinc/26/79/69/338267969.db2.gz GJPFJVBKYQHEOY-RKVPGOIHSA-N 1 0 305.487 4.430 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000436312823 338268571 /nfs/dbraw/zinc/26/85/71/338268571.db2.gz VDAYGRFWEZIKRS-IEZWGBDMSA-N 1 0 313.441 4.004 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(C#N)c(F)c1 ZINC000437096571 338300632 /nfs/dbraw/zinc/30/06/32/338300632.db2.gz YKALIMDPZRNBJJ-APPDUMDISA-N 1 0 314.335 4.011 20 30 DIEDRO CC(C)CC[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437109590 338301535 /nfs/dbraw/zinc/30/15/35/338301535.db2.gz IYWSAAYPMANSFJ-FAEJEUNOSA-N 1 0 315.461 4.058 20 30 DIEDRO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437402594 338309102 /nfs/dbraw/zinc/30/91/02/338309102.db2.gz HIJJGLXIISKHMC-NSHDSACASA-N 1 0 322.380 4.414 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437428438 338309812 /nfs/dbraw/zinc/30/98/12/338309812.db2.gz SEMWGKBBXWDQMF-CYBMUJFWSA-N 1 0 316.351 4.353 20 30 DIEDRO COc1ccc(C#N)cc1CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000437566476 338313543 /nfs/dbraw/zinc/31/35/43/338313543.db2.gz FWQIYBOGBBQOIS-WMLDXEAASA-N 1 0 310.397 4.133 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1c[nH]nc1-c1ccsc1 ZINC000437694722 338318538 /nfs/dbraw/zinc/31/85/38/338318538.db2.gz URYVSCSJILOHTR-UHFFFAOYSA-N 1 0 323.465 4.369 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000156047874 338329759 /nfs/dbraw/zinc/32/97/59/338329759.db2.gz VLXJCZONNIVMKE-ZETCQYMHSA-N 1 0 303.221 4.275 20 30 DIEDRO C=CCN1CCC([NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000438838255 338353202 /nfs/dbraw/zinc/35/32/02/338353202.db2.gz SGZQZZGEMSRSBN-FQEVSTJZSA-N 1 0 323.484 4.094 20 30 DIEDRO C=CCC[C@H]([NH2+]CC1(c2ccccc2C)CCOCC1)C1CC1 ZINC000439068271 338360172 /nfs/dbraw/zinc/36/01/72/338360172.db2.gz HIKOLPDVUIGZJA-FQEVSTJZSA-N 1 0 313.485 4.378 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000439077684 338360392 /nfs/dbraw/zinc/36/03/92/338360392.db2.gz LYEZSQFDZYBXLH-MSOLQXFVSA-N 1 0 302.462 4.141 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cc3ccccc3o2)ccc1C#N ZINC000440610915 338392314 /nfs/dbraw/zinc/39/23/14/338392314.db2.gz FMQUEXDLYOZPPM-CYBMUJFWSA-N 1 0 306.365 4.164 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CCc3ccc(C(C)C)cc32)ccc1C#N ZINC000440622909 338392890 /nfs/dbraw/zinc/39/28/90/338392890.db2.gz FRJAWBIZNKKCGB-FQEVSTJZSA-N 1 0 320.436 4.467 20 30 DIEDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000440647249 338394179 /nfs/dbraw/zinc/39/41/79/338394179.db2.gz OAXMNWJKNGCAPE-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO COc1cc(C[NH2+]Cc2oc3ccc(F)cc3c2C)ccc1C#N ZINC000440799100 338397866 /nfs/dbraw/zinc/39/78/66/338397866.db2.gz AVOBJEZXMZNLKA-UHFFFAOYSA-N 1 0 324.355 4.050 20 30 DIEDRO CCCCOc1cccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000440808696 338398010 /nfs/dbraw/zinc/39/80/10/338398010.db2.gz YOZDKFXBEOMFHH-UHFFFAOYSA-N 1 0 324.424 4.036 20 30 DIEDRO CC(C)COc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000441349894 338409884 /nfs/dbraw/zinc/40/98/84/338409884.db2.gz GQEZRIKHEWNNPT-UHFFFAOYSA-N 1 0 300.446 4.141 20 30 DIEDRO C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442722950 338429069 /nfs/dbraw/zinc/42/90/69/338429069.db2.gz WBVVTQGTRMSSBW-VYDXJSESSA-N 1 0 300.446 4.033 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000442786447 338431241 /nfs/dbraw/zinc/43/12/41/338431241.db2.gz XJSRQKRQTQLZJM-HZPDHXFCSA-N 1 0 300.471 4.373 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000442817026 338433419 /nfs/dbraw/zinc/43/34/19/338433419.db2.gz LPSCNMPAQRAJEP-VQTJNVASSA-N 1 0 320.436 4.090 20 30 DIEDRO CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442825603 338433622 /nfs/dbraw/zinc/43/36/22/338433622.db2.gz LFTFRELYICQDHD-BPLDGKMQSA-N 1 0 321.262 4.052 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442855882 338435147 /nfs/dbraw/zinc/43/51/47/338435147.db2.gz KWBZCUBPQIXMOP-MZGVZZPPSA-N 1 0 308.347 4.233 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000442866650 338436090 /nfs/dbraw/zinc/43/60/90/338436090.db2.gz IYMCKCBEJGZKPV-KVULBXGLSA-N 1 0 318.848 4.473 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1COc2c1ccc(C)c2C)c1ccc(C#N)cc1 ZINC000447588673 338559917 /nfs/dbraw/zinc/55/99/17/338559917.db2.gz VTOROJQEPJTBBB-RTBURBONSA-N 1 0 306.409 4.350 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCCCOCc2ccccc2)CC1 ZINC000449107949 338594211 /nfs/dbraw/zinc/59/42/11/338594211.db2.gz PIVULDTXZHGGDF-UHFFFAOYSA-N 1 0 300.446 4.045 20 30 DIEDRO CC(C)(C)C1CCC(O)(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449148419 338597022 /nfs/dbraw/zinc/59/70/22/338597022.db2.gz KIGIWOHNIQVJRE-UHFFFAOYSA-N 1 0 306.494 4.016 20 30 DIEDRO COc1ccc([C@@H](C)CC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449154447 338597432 /nfs/dbraw/zinc/59/74/32/338597432.db2.gz NFDWAYVIVPKQAK-DMKPSLHHSA-N 1 0 300.446 4.251 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1cccc(C#N)c1 ZINC000449172056 338599048 /nfs/dbraw/zinc/59/90/48/338599048.db2.gz JGNHAQJHHHZRQK-MEBBXXQBSA-N 1 0 316.326 4.314 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000449205763 338602277 /nfs/dbraw/zinc/60/22/77/338602277.db2.gz MALLTZMLZFKWKF-SKINQDTJSA-N 1 0 323.415 4.372 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000449214082 338602925 /nfs/dbraw/zinc/60/29/25/338602925.db2.gz LPBUUBKODKABQE-QAPCUYQASA-N 1 0 300.446 4.209 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000449309771 338611688 /nfs/dbraw/zinc/61/16/88/338611688.db2.gz CIZNLZPHBZMILR-BQFCYCMXSA-N 1 0 305.466 4.019 20 30 DIEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447201 338624867 /nfs/dbraw/zinc/62/48/67/338624867.db2.gz WVRMWHJVHKTILT-DSLXNQLJSA-N 1 0 312.457 4.042 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000449736652 338649191 /nfs/dbraw/zinc/64/91/91/338649191.db2.gz NNBWEQMEGSXCBH-FUHWJXTLSA-N 1 0 323.415 4.217 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000162759209 338659943 /nfs/dbraw/zinc/65/99/43/338659943.db2.gz VDBUMTSMZLCDLX-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC2(C#N)CCC2)cc1 ZINC000450818670 338706936 /nfs/dbraw/zinc/70/69/36/338706936.db2.gz JAWUCDHSOGFCHT-RTBURBONSA-N 1 0 312.457 4.393 20 30 DIEDRO N#Cc1ccc(NC2CC[NH+](C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000450874213 338710044 /nfs/dbraw/zinc/71/00/44/338710044.db2.gz FQFXQLQYWVOQGG-UHFFFAOYSA-N 1 0 323.362 4.006 20 30 DIEDRO CC(C)N1CCCC[C@H]1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000451058507 338719834 /nfs/dbraw/zinc/71/98/34/338719834.db2.gz AOOUWSOAPMANKW-VQTJNVASSA-N 1 0 313.489 4.274 20 30 DIEDRO N#CCCCC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451291859 338728597 /nfs/dbraw/zinc/72/85/97/338728597.db2.gz ASTWSEMZZRUDHB-UHFFFAOYSA-N 1 0 317.380 4.035 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000453218682 338809441 /nfs/dbraw/zinc/80/94/41/338809441.db2.gz KSYTYHYCDQPZAB-SWLSCSKDSA-N 1 0 312.413 4.237 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(C#N)cc1F ZINC000453222812 338809955 /nfs/dbraw/zinc/80/99/55/338809955.db2.gz RHFHSFHADUVHIE-OCCSQVGLSA-N 1 0 312.413 4.237 20 30 DIEDRO Cc1cccnc1CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000453308751 338822098 /nfs/dbraw/zinc/82/20/98/338822098.db2.gz NZJUWAATZRGULP-OAQYLSRUSA-N 1 0 319.452 4.252 20 30 DIEDRO C=CCC1(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CCCC1 ZINC000453340254 338827548 /nfs/dbraw/zinc/82/75/48/338827548.db2.gz BNUSKIPHXSHWFD-QVKFZJNVSA-N 1 0 305.487 4.211 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH+]2CCC(Cc3c(F)cccc3F)CC2)C1 ZINC000453346659 338828694 /nfs/dbraw/zinc/82/86/94/338828694.db2.gz FWIJWKHRDLHLHV-HOTGVXAUSA-N 1 0 318.411 4.302 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000453350674 338829521 /nfs/dbraw/zinc/82/95/21/338829521.db2.gz LWFWEJLAFJJQMF-KFWWJZLASA-N 1 0 309.862 4.200 20 30 DIEDRO Cc1cc(C)c(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000453364693 338832166 /nfs/dbraw/zinc/83/21/66/338832166.db2.gz OMZKIEGZHBFVTD-HXUWFJFHSA-N 1 0 305.425 4.127 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000453365353 338832359 /nfs/dbraw/zinc/83/23/59/338832359.db2.gz RQEDMNCJPWYOCG-CJNGLKHVSA-N 1 0 316.470 4.096 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458298659 338995227 /nfs/dbraw/zinc/99/52/27/338995227.db2.gz ZQJGVCGZNACVAM-KRWDZBQOSA-N 1 0 322.452 4.355 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459294734 339019822 /nfs/dbraw/zinc/01/98/22/339019822.db2.gz LEWLXWUBCOLCJL-UHFFFAOYSA-N 1 0 322.456 4.234 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459409794 339027582 /nfs/dbraw/zinc/02/75/82/339027582.db2.gz JXHOTSFWJBLTSV-OAHLLOKOSA-N 1 0 310.445 4.114 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C2CC2)cc1 ZINC000459551737 339035396 /nfs/dbraw/zinc/03/53/96/339035396.db2.gz XNBJOBGCUAZNSL-UHFFFAOYSA-N 1 0 311.425 4.228 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000467414100 339038565 /nfs/dbraw/zinc/03/85/65/339038565.db2.gz QTIZWBYQIQBTJY-HZPDHXFCSA-N 1 0 302.462 4.471 20 30 DIEDRO C[C@@H](CCCc1cccnc1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000459637820 339039817 /nfs/dbraw/zinc/03/98/17/339039817.db2.gz INISEQACLPPLIV-INIZCTEOSA-N 1 0 312.844 4.088 20 30 DIEDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459728853 339044751 /nfs/dbraw/zinc/04/47/51/339044751.db2.gz JHYCPUBJRSDTSC-OLZOCXBDSA-N 1 0 301.459 4.318 20 30 DIEDRO COc1ccccc1-c1ccc(C[NH2+]CC(C)(C)CC#N)cc1 ZINC000459737997 339045400 /nfs/dbraw/zinc/04/54/00/339045400.db2.gz XDEIERWTNNWLKD-UHFFFAOYSA-N 1 0 308.425 4.392 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000467415718 339050053 /nfs/dbraw/zinc/05/00/53/339050053.db2.gz CFQVXDCOOJJAGR-OCCSQVGLSA-N 1 0 324.852 4.010 20 30 DIEDRO CC(C)c1ccc(C[C@H]2CC[N@H+](CCCSCC#N)C2)cc1 ZINC000460984678 339056802 /nfs/dbraw/zinc/05/68/02/339056802.db2.gz WKPCSJBHNSCWIQ-GOSISDBHSA-N 1 0 316.514 4.321 20 30 DIEDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](CCCSCC#N)C2)cc1 ZINC000460984706 339056812 /nfs/dbraw/zinc/05/68/12/339056812.db2.gz WKPCSJBHNSCWIQ-SFHVURJKSA-N 1 0 316.514 4.321 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000462110839 339072365 /nfs/dbraw/zinc/07/23/65/339072365.db2.gz JRLOOLVNBLSKIW-GOSISDBHSA-N 1 0 322.537 4.135 20 30 DIEDRO CC[C@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000462365809 339076940 /nfs/dbraw/zinc/07/69/40/339076940.db2.gz NFRPEZGIEMMFGX-MAUKXSAKSA-N 1 0 302.487 4.350 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C2CCCCC2)cc1OC ZINC000462730021 339085139 /nfs/dbraw/zinc/08/51/39/339085139.db2.gz FCMAOSGMTLVCMU-HNNXBMFYSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)Cc2cccs2)cc1 ZINC000462757450 339087117 /nfs/dbraw/zinc/08/71/17/339087117.db2.gz BEPYGBSJHFGGNP-HNNXBMFYSA-N 1 0 301.455 4.281 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000462756031 339087235 /nfs/dbraw/zinc/08/72/35/339087235.db2.gz XSPDDYDSMXXNBK-AWEZNQCLSA-N 1 0 317.379 4.423 20 30 DIEDRO C[C@@H]1CCC[N@H+](CCCCNc2c(Cl)cccc2C#N)C1 ZINC000462790322 339088755 /nfs/dbraw/zinc/08/87/55/339088755.db2.gz UOQQYXJQDAEKQQ-CQSZACIVSA-N 1 0 305.853 4.136 20 30 DIEDRO C=CCOc1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000462827518 339092718 /nfs/dbraw/zinc/09/27/18/339092718.db2.gz VSGQUUQODKADAW-UHFFFAOYSA-N 1 0 321.420 4.004 20 30 DIEDRO CC[NH+](CC)[C@H](CNc1ccc(F)cc1C#N)c1ccsc1 ZINC000462918559 339098059 /nfs/dbraw/zinc/09/80/59/339098059.db2.gz CZRYLVLIYVFGPY-QGZVFWFLSA-N 1 0 317.433 4.254 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463040641 339102687 /nfs/dbraw/zinc/10/26/87/339102687.db2.gz FWGDECVIWLMJFW-HIFRSBDPSA-N 1 0 314.326 4.250 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463237252 339110980 /nfs/dbraw/zinc/11/09/80/339110980.db2.gz USSQMPDKTMGPMP-CGBFIWBNSA-N 1 0 312.457 4.357 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C1 ZINC000463281116 339113159 /nfs/dbraw/zinc/11/31/59/339113159.db2.gz JZNRTELOPXLUBK-WOJBJXKFSA-N 1 0 320.436 4.438 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000463282580 339113230 /nfs/dbraw/zinc/11/32/30/339113230.db2.gz LBFRZCNADDUIQS-YQQAZPJKSA-N 1 0 318.486 4.158 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463282581 339113281 /nfs/dbraw/zinc/11/32/81/339113281.db2.gz LBFRZCNADDUIQS-ZMSDIMECSA-N 1 0 318.486 4.158 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C1 ZINC000463288302 339113524 /nfs/dbraw/zinc/11/35/24/339113524.db2.gz BSQVBOCHUKGHDQ-FXAWDEMLSA-N 1 0 320.436 4.438 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000463292608 339113853 /nfs/dbraw/zinc/11/38/53/339113853.db2.gz WPNWUDKJRQVLLF-UXHICEINSA-N 1 0 320.436 4.438 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)C1 ZINC000463296947 339113938 /nfs/dbraw/zinc/11/39/38/339113938.db2.gz HRJRNSVFZRBHAK-QAPCUYQASA-N 1 0 300.421 4.309 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)C1 ZINC000463296948 339114001 /nfs/dbraw/zinc/11/40/01/339114001.db2.gz HRJRNSVFZRBHAK-YJBOKZPZSA-N 1 0 300.421 4.309 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463299998 339114070 /nfs/dbraw/zinc/11/40/70/339114070.db2.gz KXIDHZGIGZCOCE-BHIYHBOVSA-N 1 0 314.473 4.467 20 30 DIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000463572988 339121787 /nfs/dbraw/zinc/12/17/87/339121787.db2.gz XMVPVXUYYURLBA-HNAYVOBHSA-N 1 0 320.436 4.338 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000463707669 339124286 /nfs/dbraw/zinc/12/42/86/339124286.db2.gz PLSJQUKFKJLMFL-SSDOTTSWSA-N 1 0 303.221 4.275 20 30 DIEDRO C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000464852815 339157982 /nfs/dbraw/zinc/15/79/82/339157982.db2.gz MDWFEKRQYDOZDX-MAUKXSAKSA-N 1 0 310.397 4.003 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](OC)C(C)(C)C)cc1Cl ZINC000465001438 339165076 /nfs/dbraw/zinc/16/50/76/339165076.db2.gz NVFIZPHMVXLTCQ-INIZCTEOSA-N 1 0 311.853 4.056 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000466398650 339202509 /nfs/dbraw/zinc/20/25/09/339202509.db2.gz JBFVEDJSURIFER-OAHLLOKOSA-N 1 0 316.470 4.475 20 30 DIEDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CCCSCC#N)cc1 ZINC000466743618 339215451 /nfs/dbraw/zinc/21/54/51/339215451.db2.gz MRZFBJIYVIZTLS-AEFFLSMTSA-N 1 0 302.487 4.415 20 30 DIEDRO CC[N@H+](Cc1nc2ccc(F)cc2o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000466815662 339217893 /nfs/dbraw/zinc/21/78/93/339217893.db2.gz LQUMNVSRCJLZIF-ZDUSSCGKSA-N 1 0 323.371 4.422 20 30 DIEDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000467130817 339226819 /nfs/dbraw/zinc/22/68/19/339226819.db2.gz IRZXUYFIXFVMCJ-FQEVSTJZSA-N 1 0 320.436 4.226 20 30 DIEDRO C=CCC[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000467305677 339230679 /nfs/dbraw/zinc/23/06/79/339230679.db2.gz UKIHXWLRHNKZNN-IBGZPJMESA-N 1 0 308.425 4.183 20 30 DIEDRO C=CCC[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000467392085 339236475 /nfs/dbraw/zinc/23/64/75/339236475.db2.gz UNTFYKSCNXUGFS-UHFFFAOYSA-N 1 0 317.864 4.210 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000467403592 339236662 /nfs/dbraw/zinc/23/66/62/339236662.db2.gz IHFYXYJIMAGDIX-KRWDZBQOSA-N 1 0 322.880 4.011 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000467410923 339237029 /nfs/dbraw/zinc/23/70/29/339237029.db2.gz LVBXGNQXTTVTJD-HOCLYGCPSA-N 1 0 303.450 4.222 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000467414996 339237396 /nfs/dbraw/zinc/23/73/96/339237396.db2.gz XPTMRTNQDKSTLN-GJZGRUSLSA-N 1 0 301.352 4.337 20 30 DIEDRO N#Cc1cccc(CC[NH2+]C2CC(c3cccc(Cl)c3)C2)c1 ZINC000467432689 339238193 /nfs/dbraw/zinc/23/81/93/339238193.db2.gz FBZCKKZDVKSNBC-UHFFFAOYSA-N 1 0 310.828 4.290 20 30 DIEDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]CCc1cccc(C#N)c1)CCCO2 ZINC000467435707 339238515 /nfs/dbraw/zinc/23/85/15/339238515.db2.gz ZHCZHVLTPJIBEO-HXUWFJFHSA-N 1 0 320.436 4.221 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cnc2ccsc2c1 ZINC000467451651 339239400 /nfs/dbraw/zinc/23/94/00/339239400.db2.gz WWOQQMWVXKEUSP-CYBMUJFWSA-N 1 0 307.422 4.061 20 30 DIEDRO N#Cc1cccc(CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)c1 ZINC000467546781 339241867 /nfs/dbraw/zinc/24/18/67/339241867.db2.gz PPDZTCGZKOIVST-UHFFFAOYSA-N 1 0 320.436 4.122 20 30 DIEDRO N#Cc1cccc(CN2CCCc3c4cccc(F)c4[nH]c3C2)c1 ZINC000467549259 339241911 /nfs/dbraw/zinc/24/19/11/339241911.db2.gz XNDBCBPXVLWFHZ-UHFFFAOYSA-N 1 0 319.383 4.127 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468040781 339252258 /nfs/dbraw/zinc/25/22/58/339252258.db2.gz SAUHWWZNPPMXMG-LLVKDONJSA-N 1 0 307.235 4.375 20 30 DIEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000468144273 339255332 /nfs/dbraw/zinc/25/53/32/339255332.db2.gz IVTXPJYGZRPPIQ-GOSISDBHSA-N 1 0 319.452 4.140 20 30 DIEDRO N#Cc1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)ccc1F ZINC000468265884 339258072 /nfs/dbraw/zinc/25/80/72/339258072.db2.gz IIVMNERTDITOLJ-UHFFFAOYSA-N 1 0 312.363 4.249 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000468366564 339260691 /nfs/dbraw/zinc/26/06/91/339260691.db2.gz HIAXCXUVRVDYCR-SFTDATJTSA-N 1 0 312.501 4.261 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000468366289 339260700 /nfs/dbraw/zinc/26/07/00/339260700.db2.gz FEKJXATYYGTAEB-PZJWPPBQSA-N 1 0 312.501 4.028 20 30 DIEDRO C[C@@H](CC#N)[N@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000469059240 339278787 /nfs/dbraw/zinc/27/87/87/339278787.db2.gz SQEPOBYEXMJQJO-DXTPNHAXSA-N 1 0 307.235 4.086 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000470763255 339327163 /nfs/dbraw/zinc/32/71/63/339327163.db2.gz CIDKYOIFBOIAEE-ZIAGYGMSSA-N 1 0 315.379 4.380 20 30 DIEDRO C=C(C)C[N@H+](CCC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000470915731 339331361 /nfs/dbraw/zinc/33/13/61/339331361.db2.gz FXCFVFSUVHJYLG-UHFFFAOYSA-N 1 0 322.452 4.402 20 30 DIEDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000470955840 339332933 /nfs/dbraw/zinc/33/29/33/339332933.db2.gz OYWAYXJIIXVFRF-TZMCWYRMSA-N 1 0 310.363 4.260 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000471008206 339334429 /nfs/dbraw/zinc/33/44/29/339334429.db2.gz AVPQCELTUIMXNM-CQSZACIVSA-N 1 0 322.474 4.121 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000471594685 339348673 /nfs/dbraw/zinc/34/86/73/339348673.db2.gz RBHGFGOJSYMSQM-OAHLLOKOSA-N 1 0 322.880 4.023 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000471610659 339349298 /nfs/dbraw/zinc/34/92/98/339349298.db2.gz HSNHJALOUVJAKW-AWEZNQCLSA-N 1 0 308.853 4.311 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](OC(C)C)c1ccccc1OC ZINC000471608498 339349416 /nfs/dbraw/zinc/34/94/16/339349416.db2.gz DAZMUPCPFJSMFV-FCEWJHQRSA-N 1 0 305.462 4.352 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000471614394 339349667 /nfs/dbraw/zinc/34/96/67/339349667.db2.gz ZVJKWYDCBJSLAG-MRXNPFEDSA-N 1 0 302.462 4.473 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000472145085 339364197 /nfs/dbraw/zinc/36/41/97/339364197.db2.gz ASTGCWYERQTXQR-WMZOPIPTSA-N 1 0 324.399 4.187 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000472235709 339367023 /nfs/dbraw/zinc/36/70/23/339367023.db2.gz BSQHXWJZXKFPEN-UHFFFAOYSA-N 1 0 302.437 4.410 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000472240176 339367282 /nfs/dbraw/zinc/36/72/82/339367282.db2.gz JFWAORVZOFUQMS-UHFFFAOYSA-N 1 0 302.437 4.410 20 30 DIEDRO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000472748666 339376904 /nfs/dbraw/zinc/37/69/04/339376904.db2.gz IFICLOPDZBBZNF-UHFFFAOYSA-N 1 0 304.437 4.371 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000475307671 339445361 /nfs/dbraw/zinc/44/53/61/339445361.db2.gz FPYAPKHIVNHVAD-XFQAVAEZSA-N 1 0 320.436 4.443 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000475633557 339457783 /nfs/dbraw/zinc/45/77/83/339457783.db2.gz GTOKOXZLODFXKF-HZMBPMFUSA-N 1 0 321.770 4.337 20 30 DIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000475677651 339459370 /nfs/dbraw/zinc/45/93/70/339459370.db2.gz ZGZYZEJUERUTTO-UHFFFAOYSA-N 1 0 314.454 4.433 20 30 DIEDRO CC(C)CC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478387910 339514644 /nfs/dbraw/zinc/51/46/44/339514644.db2.gz SNANVEXRMGONAL-UHFFFAOYSA-N 1 0 324.472 4.121 20 30 DIEDRO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000479469003 339536878 /nfs/dbraw/zinc/53/68/78/339536878.db2.gz UZSWXDMSGPLWFG-QGZVFWFLSA-N 1 0 319.452 4.125 20 30 DIEDRO Cn1cc(C[NH2+][C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)cc1C#N ZINC000480309718 339568463 /nfs/dbraw/zinc/56/84/63/339568463.db2.gz LZQSNFJUQWHKJE-HNAYVOBHSA-N 1 0 319.452 4.286 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480686027 339583288 /nfs/dbraw/zinc/58/32/88/339583288.db2.gz YJORSFMHQYRVKZ-RBUKOAKNSA-N 1 0 315.436 4.373 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000481372756 339602629 /nfs/dbraw/zinc/60/26/29/339602629.db2.gz GAPSOHONYXYALZ-ACJLOTCBSA-N 1 0 314.816 4.077 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000481618995 339607822 /nfs/dbraw/zinc/60/78/22/339607822.db2.gz HOJOWARTTYWWON-LJQANCHMSA-N 1 0 312.363 4.438 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)cc1F ZINC000483702121 339672037 /nfs/dbraw/zinc/67/20/37/339672037.db2.gz UFJSOSMENYEQFI-PKOBYXMFSA-N 1 0 312.363 4.262 20 30 DIEDRO Cc1cccc(C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)c1 ZINC000483736973 339673483 /nfs/dbraw/zinc/67/34/83/339673483.db2.gz ZSWMQRRRRVXAKP-HXUWFJFHSA-N 1 0 308.400 4.117 20 30 DIEDRO Cc1cc([C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)ccc1F ZINC000484083427 339680739 /nfs/dbraw/zinc/68/07/39/339680739.db2.gz JCTOIQKCIYJGOB-LJQANCHMSA-N 1 0 312.363 4.386 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000484099799 339680993 /nfs/dbraw/zinc/68/09/93/339680993.db2.gz ZYGAOZPJISGMJZ-HNAYVOBHSA-N 1 0 313.828 4.057 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]Cc2cscc2C)ccc1OC ZINC000487162859 339744836 /nfs/dbraw/zinc/74/48/36/339744836.db2.gz ABIHVLRLTFQATK-UHFFFAOYSA-N 1 0 317.454 4.310 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000488125591 339771162 /nfs/dbraw/zinc/77/11/62/339771162.db2.gz FRDWQWQHTDGNMZ-HNNXBMFYSA-N 1 0 300.446 4.432 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(C)c2)C2CC2)cc1 ZINC000488133767 339771462 /nfs/dbraw/zinc/77/14/62/339771462.db2.gz CBTZPQSRVYJUNA-HXUWFJFHSA-N 1 0 306.409 4.116 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000489131267 339802307 /nfs/dbraw/zinc/80/23/07/339802307.db2.gz PJISJXMLKJJLJG-OAHLLOKOSA-N 1 0 306.409 4.204 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)CC2 ZINC000495001590 339969780 /nfs/dbraw/zinc/96/97/80/339969780.db2.gz XYBOPDLDYBFYNS-YOEHRIQHSA-N 1 0 304.384 4.351 20 30 DIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499607901 340040714 /nfs/dbraw/zinc/04/07/14/340040714.db2.gz CNUNUOJPUPKHSE-KURKYZTESA-N 1 0 306.494 4.137 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)s1 ZINC000499625909 340041579 /nfs/dbraw/zinc/04/15/79/340041579.db2.gz OAMJZBSHODIFAL-GFCCVEGCSA-N 1 0 312.866 4.153 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCOc2ccccc2)CC1 ZINC000500083381 340049925 /nfs/dbraw/zinc/04/99/25/340049925.db2.gz NDWNRVTXEITANR-UHFFFAOYSA-N 1 0 320.436 4.059 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2ccccc2F)CC1 ZINC000500114774 340050572 /nfs/dbraw/zinc/05/05/72/340050572.db2.gz SJABFJUNHQNOLG-UHFFFAOYSA-N 1 0 322.427 4.362 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000500229015 340053513 /nfs/dbraw/zinc/05/35/13/340053513.db2.gz LJYOQYLLUVZKRY-HXUWFJFHSA-N 1 0 308.400 4.251 20 30 DIEDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)cc1 ZINC000500234580 340053592 /nfs/dbraw/zinc/05/35/92/340053592.db2.gz XFJUKZCIWRBOCD-LJQANCHMSA-N 1 0 308.400 4.213 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCCC[C@H]2CC)cc(OC)c1O ZINC000500266842 340054290 /nfs/dbraw/zinc/05/42/90/340054290.db2.gz RAXCGONXFZCXJQ-WBVHZDCISA-N 1 0 303.446 4.188 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCC[C@H]2CC)cc(OC)c1O ZINC000500266840 340054341 /nfs/dbraw/zinc/05/43/41/340054341.db2.gz RAXCGONXFZCXJQ-NVXWUHKLSA-N 1 0 303.446 4.188 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc(OC)c1O ZINC000500292668 340054587 /nfs/dbraw/zinc/05/45/87/340054587.db2.gz ULOGAHSLKJFWLZ-JJRVBVJISA-N 1 0 303.446 4.044 20 30 DIEDRO C[C@@H]1C[C@@]1([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000500403494 340057120 /nfs/dbraw/zinc/05/71/20/340057120.db2.gz NGNGQJITPYXNMR-BZNIZROVSA-N 1 0 302.830 4.298 20 30 DIEDRO C[C@H](C[NH+]1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501038872 340073061 /nfs/dbraw/zinc/07/30/61/340073061.db2.gz ZCCKZIOFIMAPGK-CYBMUJFWSA-N 1 0 310.363 4.435 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000501251410 340077221 /nfs/dbraw/zinc/07/72/21/340077221.db2.gz CIIMXQCQVREOGN-SFHVURJKSA-N 1 0 310.372 4.043 20 30 DIEDRO CC(C)(C)N(Cc1ccccc1Br)CC1(C#N)CC1 ZINC000501534990 340082417 /nfs/dbraw/zinc/08/24/17/340082417.db2.gz VIVZKWOHGWFDLL-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CC2(C#N)CC2)C1 ZINC000501543157 340083230 /nfs/dbraw/zinc/08/32/30/340083230.db2.gz XENXHZZDTJGJEZ-IUODEOHRSA-N 1 0 308.347 4.392 20 30 DIEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000502271045 340098354 /nfs/dbraw/zinc/09/83/54/340098354.db2.gz DVORTWSHXMIBLT-BMTLAFGVSA-N 1 0 324.468 4.417 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cnn(C2CCCC2)c1 ZINC000502426708 340102890 /nfs/dbraw/zinc/10/28/90/340102890.db2.gz GOCFDRLMZUZIMH-LSDHHAIUSA-N 1 0 308.429 4.282 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1CCC[C@H]1CCOC)c1ccc(F)c(F)c1 ZINC000502427734 340103016 /nfs/dbraw/zinc/10/30/16/340103016.db2.gz BTSJTNAKRNYVOX-VHSSKADRSA-N 1 0 309.400 4.377 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H]1CCC[C@@H]1CCOC)c1ccc(F)c(F)c1 ZINC000502427731 340103039 /nfs/dbraw/zinc/10/30/39/340103039.db2.gz BTSJTNAKRNYVOX-BVGQSLNGSA-N 1 0 309.400 4.377 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]CCSCc2ccccc2C#N)oc1C ZINC000502434514 340103435 /nfs/dbraw/zinc/10/34/35/340103435.db2.gz ZLRGNBWKGYTSCW-AWEZNQCLSA-N 1 0 314.454 4.352 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000502522508 340106872 /nfs/dbraw/zinc/10/68/72/340106872.db2.gz KQEWMSZOIWMRGZ-UHFFFAOYSA-N 1 0 302.421 4.280 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCc3ccc(F)c(F)c3)CC2)cc1 ZINC000502548416 340107404 /nfs/dbraw/zinc/10/74/04/340107404.db2.gz KVYOYNZPZUEQQT-UHFFFAOYSA-N 1 0 324.374 4.168 20 30 DIEDRO CC[C@@H]1C[C@@]1([NH2+]Cc1cccc(C#N)c1F)c1cccc(C)c1 ZINC000502560818 340107820 /nfs/dbraw/zinc/10/78/20/340107820.db2.gz STYKALDKXGMLPZ-XLIONFOSSA-N 1 0 308.400 4.421 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000502574391 340108080 /nfs/dbraw/zinc/10/80/80/340108080.db2.gz IUQNAIMDZOPHJI-LJQANCHMSA-N 1 0 312.388 4.193 20 30 DIEDRO CC[C@H]1C[C@]1([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(C)c1 ZINC000502598026 340108885 /nfs/dbraw/zinc/10/88/85/340108885.db2.gz YNHCEICDNINAEV-FXAWDEMLSA-N 1 0 308.400 4.421 20 30 DIEDRO C=CCCCCC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503426787 340127976 /nfs/dbraw/zinc/12/79/76/340127976.db2.gz BMVRIHDPUDPZRK-QGZVFWFLSA-N 1 0 301.478 4.145 20 30 DIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000503571589 340130982 /nfs/dbraw/zinc/13/09/82/340130982.db2.gz ABOIAESQQCPQSU-CYBMUJFWSA-N 1 0 318.342 4.470 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503873327 340135586 /nfs/dbraw/zinc/13/55/86/340135586.db2.gz PCJIHQSCDSJKHB-VQTJNVASSA-N 1 0 324.468 4.314 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000479447554 340151737 /nfs/dbraw/zinc/15/17/37/340151737.db2.gz DEXCCQHMWJZVAT-HNNXBMFYSA-N 1 0 303.409 4.209 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000479451493 340151834 /nfs/dbraw/zinc/15/18/34/340151834.db2.gz JTBIPNGQHRRNLM-CQSZACIVSA-N 1 0 321.399 4.348 20 30 DIEDRO C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000505058585 340160372 /nfs/dbraw/zinc/16/03/72/340160372.db2.gz XKAGTIOGWPOUCE-KRWDZBQOSA-N 1 0 324.428 4.287 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000506042809 340184084 /nfs/dbraw/zinc/18/40/84/340184084.db2.gz YPHZDDJJUWGWJM-UHFFFAOYSA-N 1 0 320.436 4.391 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)Cc1ccc(OC)cc1 ZINC000506401201 340194170 /nfs/dbraw/zinc/19/41/70/340194170.db2.gz FISKAXIFENHJKT-CQSZACIVSA-N 1 0 314.454 4.081 20 30 DIEDRO CC[N@H+](Cc1ccccc1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000506481750 340195498 /nfs/dbraw/zinc/19/54/98/340195498.db2.gz QFDNOLWIKITPAV-MRXNPFEDSA-N 1 0 308.425 4.020 20 30 DIEDRO COc1ccccc1/C=C/C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000506553192 340196679 /nfs/dbraw/zinc/19/66/79/340196679.db2.gz VTLHSNISQLWZDM-GQCTYLIASA-N 1 0 318.420 4.245 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccccc1C#N ZINC000507160315 340210212 /nfs/dbraw/zinc/21/02/12/340210212.db2.gz LKHMTRLRXNOTOX-HXUWFJFHSA-N 1 0 306.409 4.076 20 30 DIEDRO COCc1ccccc1/C=C(\C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000507192223 340212371 /nfs/dbraw/zinc/21/23/71/340212371.db2.gz RNALYLNGIXKPDZ-GZTJUZNOSA-N 1 0 320.436 4.240 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000507235378 340215133 /nfs/dbraw/zinc/21/51/33/340215133.db2.gz ZLDRFWXAGJOYES-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO CCOc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000507717065 340229539 /nfs/dbraw/zinc/22/95/39/340229539.db2.gz IUFPYPFTEDRIMB-UHFFFAOYSA-N 1 0 323.440 4.010 20 30 DIEDRO CC(C)C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000507719783 340229559 /nfs/dbraw/zinc/22/95/59/340229559.db2.gz UBZWWYDWLACSTL-UHFFFAOYSA-N 1 0 324.472 4.237 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000507732404 340229860 /nfs/dbraw/zinc/22/98/60/340229860.db2.gz MIGVSWPEGBCVCJ-UHFFFAOYSA-N 1 0 303.409 4.088 20 30 DIEDRO CC[C@@H]1C[C@H](C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000507801422 340232171 /nfs/dbraw/zinc/23/21/71/340232171.db2.gz DNUVFSQKUNNMRM-SZVBFZGTSA-N 1 0 300.446 4.146 20 30 DIEDRO C=CCOc1ccccc1CNc1[nH+]ccn1Cc1ccccc1 ZINC000508475868 340244471 /nfs/dbraw/zinc/24/44/71/340244471.db2.gz ZFCUSXJJOIDGHR-UHFFFAOYSA-N 1 0 319.408 4.108 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000508600909 340247516 /nfs/dbraw/zinc/24/75/16/340247516.db2.gz RQMUEQNIGIYUTN-MRXNPFEDSA-N 1 0 303.409 4.403 20 30 DIEDRO CC[N@H+](CC1=Cc2ccccc2OC1)[C@H](C)c1ccc(C#N)cc1 ZINC000508606784 340247881 /nfs/dbraw/zinc/24/78/81/340247881.db2.gz ZPIUEXALJSLDRO-MRXNPFEDSA-N 1 0 318.420 4.417 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000508668773 340250052 /nfs/dbraw/zinc/25/00/52/340250052.db2.gz GHZQHBPDYDJDHD-UHFFFAOYSA-N 1 0 322.452 4.101 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000509347997 340266857 /nfs/dbraw/zinc/26/68/57/340266857.db2.gz IMHXJBUXKPRHBU-OAHLLOKOSA-N 1 0 315.392 4.021 20 30 DIEDRO C=C(C)CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000509376869 340267903 /nfs/dbraw/zinc/26/79/03/340267903.db2.gz ANUNIDHPYDGPKG-UHFFFAOYSA-N 1 0 324.262 4.011 20 30 DIEDRO C[C@@H](F)CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000509388022 340267998 /nfs/dbraw/zinc/26/79/98/340267998.db2.gz OKAQWLWVKWARQX-OAHLLOKOSA-N 1 0 314.379 4.448 20 30 DIEDRO CC[N@H+](CCOc1cccc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000516616634 340270022 /nfs/dbraw/zinc/27/00/22/340270022.db2.gz XWJJJMUKRSIJCX-HNNXBMFYSA-N 1 0 312.388 4.159 20 30 DIEDRO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCCSCC#N ZINC000510251547 340294152 /nfs/dbraw/zinc/29/41/52/340294152.db2.gz CYUKKJCLFOYWOG-NVXWUHKLSA-N 1 0 318.486 4.115 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)CC1=Cc2ccccc2OC1 ZINC000510647710 340304796 /nfs/dbraw/zinc/30/47/96/340304796.db2.gz SVZAMNYEFFTYRE-UHFFFAOYSA-N 1 0 321.420 4.159 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510649493 340304964 /nfs/dbraw/zinc/30/49/64/340304964.db2.gz ILKJXONKFMBDSG-QAPCUYQASA-N 1 0 320.477 4.299 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2cc[nH]c21 ZINC000510653172 340305142 /nfs/dbraw/zinc/30/51/42/340305142.db2.gz ZPEHYKRESBIBJM-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO C=C(C)CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000510755438 340309855 /nfs/dbraw/zinc/30/98/55/340309855.db2.gz XGXZSQOPJDXTNJ-YLJYHZDGSA-N 1 0 323.440 4.056 20 30 DIEDRO CCOC(=O)C(C)(C)C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000510936019 340315474 /nfs/dbraw/zinc/31/54/74/340315474.db2.gz ULTNTDRVSZDMAI-UHFFFAOYSA-N 1 0 322.493 4.008 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510968697 340316621 /nfs/dbraw/zinc/31/66/21/340316621.db2.gz NUFRPAICVGEBIR-UHFFFAOYSA-N 1 0 319.383 4.053 20 30 DIEDRO Cc1cccc(C)c1OCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000303442623 340325724 /nfs/dbraw/zinc/32/57/24/340325724.db2.gz BCBZBKLPQUKXJB-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(Cl)cc2C#N)C1 ZINC000511358949 340325914 /nfs/dbraw/zinc/32/59/14/340325914.db2.gz KAVHRNJERPMSAM-AWEZNQCLSA-N 1 0 305.853 4.136 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2ccccc2n1 ZINC000303503391 340328767 /nfs/dbraw/zinc/32/87/67/340328767.db2.gz AXOZJIJUDRGYRS-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000512038793 340346254 /nfs/dbraw/zinc/34/62/54/340346254.db2.gz VCFFGWQDGBXTFR-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO CCOc1ccccc1C1=CC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000512379352 340359500 /nfs/dbraw/zinc/35/95/00/340359500.db2.gz GYSRFIIVUQSCDI-UHFFFAOYSA-N 1 0 318.420 4.246 20 30 DIEDRO N#Cc1cccc(CN(Cc2ccc(F)cc2F)C2CC2)c1F ZINC000512404382 340360697 /nfs/dbraw/zinc/36/06/97/340360697.db2.gz RXVUUYFSIUJJCD-UHFFFAOYSA-N 1 0 316.326 4.140 20 30 DIEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000512449009 340362270 /nfs/dbraw/zinc/36/22/70/340362270.db2.gz ANIGDTQODJPIJV-WMZOPIPTSA-N 1 0 314.473 4.003 20 30 DIEDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000512449006 340362431 /nfs/dbraw/zinc/36/24/31/340362431.db2.gz ANIGDTQODJPIJV-AEFFLSMTSA-N 1 0 314.473 4.003 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1F ZINC000512479773 340363361 /nfs/dbraw/zinc/36/33/61/340363361.db2.gz IXGSZCRCUYJPCP-SFHVURJKSA-N 1 0 312.363 4.044 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2CC)cc1 ZINC000512516165 340365127 /nfs/dbraw/zinc/36/51/27/340365127.db2.gz AYROBHNZXJFVBS-UHFFFAOYSA-N 1 0 311.425 4.112 20 30 DIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000512532720 340365740 /nfs/dbraw/zinc/36/57/40/340365740.db2.gz UNAKLEUHNWBHRO-QGZVFWFLSA-N 1 0 322.456 4.475 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(C)c3ncccc3c2)cc1 ZINC000512537422 340366049 /nfs/dbraw/zinc/36/60/49/340366049.db2.gz SFAMZCIFFVLUMN-UHFFFAOYSA-N 1 0 318.420 4.398 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000512551569 340366613 /nfs/dbraw/zinc/36/66/13/340366613.db2.gz FGPFPNYNAYRBCM-QUCCMNQESA-N 1 0 322.452 4.462 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(C#N)cc1F ZINC000512612945 340368918 /nfs/dbraw/zinc/36/89/18/340368918.db2.gz QPUFPJRAKQRWGB-LLVKDONJSA-N 1 0 320.770 4.383 20 30 DIEDRO Cc1cc(C)cc(OCC[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512614070 340369118 /nfs/dbraw/zinc/36/91/18/340369118.db2.gz USTKAXFLYGOWDS-HNNXBMFYSA-N 1 0 312.388 4.044 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512618869 340369377 /nfs/dbraw/zinc/36/93/77/340369377.db2.gz KEKPXXBBQBDVGX-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512621212 340369418 /nfs/dbraw/zinc/36/94/18/340369418.db2.gz VKXSWMGJXGSACI-AWEZNQCLSA-N 1 0 312.388 4.337 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641268 340370433 /nfs/dbraw/zinc/37/04/33/340370433.db2.gz FPYVKFUFWPFSQB-RYUDHWBXSA-N 1 0 318.342 4.430 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512641565 340370534 /nfs/dbraw/zinc/37/05/34/340370534.db2.gz IHZNOUJLOOCBDO-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)C12CCCC2 ZINC000512642070 340370557 /nfs/dbraw/zinc/37/05/57/340370557.db2.gz MGTKCMUFRDRLOT-JEBQAFNWSA-N 1 0 316.420 4.086 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1F ZINC000512641269 340370696 /nfs/dbraw/zinc/37/06/96/340370696.db2.gz FPYVKFUFWPFSQB-VXGBXAGGSA-N 1 0 318.342 4.430 20 30 DIEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCC1)c1ccc(C#N)cc1F ZINC000512647645 340370810 /nfs/dbraw/zinc/37/08/10/340370810.db2.gz IZBXHWBVXOYBKA-HNNXBMFYSA-N 1 0 308.400 4.470 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512649675 340370989 /nfs/dbraw/zinc/37/09/89/340370989.db2.gz TWDRDVVGXMAUTG-KZULUSFZSA-N 1 0 310.372 4.044 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512655440 340371297 /nfs/dbraw/zinc/37/12/97/340371297.db2.gz UMEKCLLAJDURLN-KDOFPFPSSA-N 1 0 311.404 4.449 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2N[C@H](C)c1ccc(C#N)cc1F ZINC000512667064 340372003 /nfs/dbraw/zinc/37/20/03/340372003.db2.gz NXVAOLLWBRESCD-BFUOFWGJSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1F ZINC000512672709 340372384 /nfs/dbraw/zinc/37/23/84/340372384.db2.gz LYGQKHZSPQCAKQ-PKSQDBQZSA-N 1 0 314.326 4.469 20 30 DIEDRO C[N@H+](CCCSCC#N)Cc1cccc(Cl)c1Cl ZINC000173857049 340376134 /nfs/dbraw/zinc/37/61/34/340376134.db2.gz JAUVBYXMGCWCGR-UHFFFAOYSA-N 1 0 303.258 4.072 20 30 DIEDRO CC(C)COc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000173997134 340379735 /nfs/dbraw/zinc/37/97/35/340379735.db2.gz XKFGLHAOKZYCQL-MRXNPFEDSA-N 1 0 308.425 4.444 20 30 DIEDRO N#Cc1cccc(CC[NH2+]C2CC(c3ccccc3Cl)C2)c1 ZINC000513478070 340409578 /nfs/dbraw/zinc/40/95/78/340409578.db2.gz BJBNQCFZWRWAJE-UHFFFAOYSA-N 1 0 310.828 4.290 20 30 DIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000404768124 340414280 /nfs/dbraw/zinc/41/42/80/340414280.db2.gz UHFBIBIXLSZLKL-UHFFFAOYSA-N 1 0 312.388 4.166 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccco1 ZINC000513691873 340419843 /nfs/dbraw/zinc/41/98/43/340419843.db2.gz XAMDVCPFROSARW-CQSZACIVSA-N 1 0 303.406 4.016 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000178178338 340447535 /nfs/dbraw/zinc/44/75/35/340447535.db2.gz CKUBUGQOXKARRC-KGLIPLIRSA-N 1 0 310.445 4.230 20 30 DIEDRO N#Cc1csc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000186434245 340512587 /nfs/dbraw/zinc/51/25/87/340512587.db2.gz FKGGYYGDUJOMKJ-CQSZACIVSA-N 1 0 310.344 4.055 20 30 DIEDRO C=C(CC)C[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000521915166 340539822 /nfs/dbraw/zinc/53/98/22/340539822.db2.gz MQOPWCYXWFHECU-ZWKOTPCHSA-N 1 0 308.416 4.044 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192365810 340566503 /nfs/dbraw/zinc/56/65/03/340566503.db2.gz WHTQJQFSNJOZEG-LJQANCHMSA-N 1 0 320.436 4.361 20 30 DIEDRO C=CC1CC[NH+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000523605637 340629614 /nfs/dbraw/zinc/62/96/14/340629614.db2.gz GTBPIOKUEXKLOT-CYBMUJFWSA-N 1 0 315.392 4.143 20 30 DIEDRO C=CCc1cc(C[NH2+]C(C)(C)c2cccs2)cc(OC)c1O ZINC000523977046 340645164 /nfs/dbraw/zinc/64/51/64/340645164.db2.gz SDJVBFBKNWXMDH-UHFFFAOYSA-N 1 0 317.454 4.216 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@@H]1C ZINC000237356389 340670204 /nfs/dbraw/zinc/67/02/04/340670204.db2.gz XLDAJGGYWDKFBC-MDZRGWNJSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@H](C[NH2+]CCSCc1ccccc1C#N)c1ccccc1 ZINC000237518953 340671872 /nfs/dbraw/zinc/67/18/72/340671872.db2.gz IYHXAAGGKBAOIM-MRXNPFEDSA-N 1 0 310.466 4.185 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000393764014 340705480 /nfs/dbraw/zinc/70/54/80/340705480.db2.gz ZVQPLKOXNUXUJG-YPMHNXCESA-N 1 0 312.251 4.463 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000529529635 340759769 /nfs/dbraw/zinc/75/97/69/340759769.db2.gz ARHBPJJMBAWUEA-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000037488219 340785405 /nfs/dbraw/zinc/78/54/05/340785405.db2.gz UIPWHRKPVCZEDU-LBPRGKRZSA-N 1 0 315.214 4.172 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000537987645 340805845 /nfs/dbraw/zinc/80/58/45/340805845.db2.gz OJEITMATRJKULW-QGZVFWFLSA-N 1 0 307.359 4.391 20 30 DIEDRO C=C(CC)C[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000537993254 340806397 /nfs/dbraw/zinc/80/63/97/340806397.db2.gz KWYUYAASSVLHGZ-FQEVSTJZSA-N 1 0 311.425 4.349 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000538100267 340809331 /nfs/dbraw/zinc/80/93/31/340809331.db2.gz MAPCLWFPIRFIRM-HXUWFJFHSA-N 1 0 316.464 4.297 20 30 DIEDRO C=CCCOCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000538116068 340810234 /nfs/dbraw/zinc/81/02/34/340810234.db2.gz IAXOZZAUSCOXLL-INIZCTEOSA-N 1 0 313.363 4.339 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)c1ccc(Cl)cc1Cl ZINC000538198311 340812962 /nfs/dbraw/zinc/81/29/62/340812962.db2.gz QHLYSIILIBZUOB-NHYWBVRUSA-N 1 0 302.245 4.219 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000538258464 340815134 /nfs/dbraw/zinc/81/51/34/340815134.db2.gz YXDIPWGPMVPSRI-YLJYHZDGSA-N 1 0 313.416 4.026 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(C#N)cc1 ZINC000538393659 340820477 /nfs/dbraw/zinc/82/04/77/340820477.db2.gz CTWBBDULKLDITF-KUHUBIRLSA-N 1 0 308.450 4.239 20 30 DIEDRO COc1ccc(C2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000538733793 340844160 /nfs/dbraw/zinc/84/41/60/340844160.db2.gz YKTBXMLEHFLQJL-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000539204063 340876237 /nfs/dbraw/zinc/87/62/37/340876237.db2.gz YPRJAIQQBFHTRC-HXUWFJFHSA-N 1 0 316.464 4.297 20 30 DIEDRO CC(C)c1ccccc1OCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000539508793 340888550 /nfs/dbraw/zinc/88/85/50/340888550.db2.gz ZQUGVZGXLSEKRU-MRXNPFEDSA-N 1 0 308.425 4.411 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000539509561 340888605 /nfs/dbraw/zinc/88/86/05/340888605.db2.gz XBAUAFIPOOQYLU-KGLIPLIRSA-N 1 0 304.434 4.049 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000540159334 340918825 /nfs/dbraw/zinc/91/88/25/340918825.db2.gz CAWMWVGBXFLAHE-LLVKDONJSA-N 1 0 319.779 4.185 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000540159763 340918939 /nfs/dbraw/zinc/91/89/39/340918939.db2.gz OCYUZKWUHWMVFF-CYBMUJFWSA-N 1 0 315.429 4.287 20 30 DIEDRO C[C@@H](Cc1ccsc1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000540186362 340921818 /nfs/dbraw/zinc/92/18/18/340921818.db2.gz UIRYFTXBJIPQOV-ZDUSSCGKSA-N 1 0 323.383 4.339 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000540606806 340938427 /nfs/dbraw/zinc/93/84/27/340938427.db2.gz QATHAGZGORRMDH-ZIAGYGMSSA-N 1 0 306.406 4.389 20 30 DIEDRO Cc1cc(C)cc(OCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000540707321 340942378 /nfs/dbraw/zinc/94/23/78/340942378.db2.gz UJLLRDMEUXAEDC-HNNXBMFYSA-N 1 0 312.388 4.044 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(C#N)c(F)c1 ZINC000540710078 340942706 /nfs/dbraw/zinc/94/27/06/340942706.db2.gz WNUYNIYTRSOUAH-GFCCVEGCSA-N 1 0 302.418 4.387 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(C#N)c(F)c1 ZINC000540710079 340942716 /nfs/dbraw/zinc/94/27/16/340942716.db2.gz WNUYNIYTRSOUAH-LBPRGKRZSA-N 1 0 302.418 4.387 20 30 DIEDRO C=C(C)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000541588280 340976332 /nfs/dbraw/zinc/97/63/32/340976332.db2.gz CJASVVZCJNSXRN-SFHVURJKSA-N 1 0 309.388 4.082 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542012963 340993192 /nfs/dbraw/zinc/99/31/92/340993192.db2.gz APCCEMCOMMNARE-AEFFLSMTSA-N 1 0 320.436 4.302 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000542561968 341013720 /nfs/dbraw/zinc/01/37/20/341013720.db2.gz FJVYGLGXCLUJHO-MCIONIFRSA-N 1 0 315.379 4.114 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1 ZINC000130391766 341020583 /nfs/dbraw/zinc/02/05/83/341020583.db2.gz CZKOAADEHQONLP-KRWDZBQOSA-N 1 0 316.351 4.423 20 30 DIEDRO C[C@@H](C[NH+]1CCC(CC#N)CC1)c1cccc(Br)c1 ZINC000542852722 341023553 /nfs/dbraw/zinc/02/35/53/341023553.db2.gz AQDOVBSHVQQXNT-ZDUSSCGKSA-N 1 0 321.262 4.178 20 30 DIEDRO N#CCC[C@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000130523596 341026285 /nfs/dbraw/zinc/02/62/85/341026285.db2.gz TWVZSHTVDDGNGQ-FQEVSTJZSA-N 1 0 316.408 4.007 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1 ZINC000130588182 341029507 /nfs/dbraw/zinc/02/95/07/341029507.db2.gz IOWUYIIXUBQWTB-LJQANCHMSA-N 1 0 301.393 4.369 20 30 DIEDRO CC[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000543139260 341033640 /nfs/dbraw/zinc/03/36/40/341033640.db2.gz OQOPCSAJQCFANN-INIZCTEOSA-N 1 0 303.409 4.207 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCCC(C)(C)C#N)c1 ZINC000543172999 341035098 /nfs/dbraw/zinc/03/50/98/341035098.db2.gz YKOIUTMLJWJHIE-MAUKXSAKSA-N 1 0 300.446 4.408 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000543172728 341035174 /nfs/dbraw/zinc/03/51/74/341035174.db2.gz LVSKEYFBOYOWOZ-JLTOFOAXSA-N 1 0 324.399 4.289 20 30 DIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(CC#N)cc2)cc1 ZINC000543193090 341036273 /nfs/dbraw/zinc/03/62/73/341036273.db2.gz YJIWYWIOYJSNSL-QGZVFWFLSA-N 1 0 322.452 4.072 20 30 DIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000543204176 341036503 /nfs/dbraw/zinc/03/65/03/341036503.db2.gz ZRKMSNUGFITTKM-NRFANRHFSA-N 1 0 319.452 4.156 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000543209674 341036915 /nfs/dbraw/zinc/03/69/15/341036915.db2.gz YWSOATAWPSWLTE-MGPUTAFESA-N 1 0 308.400 4.475 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1Cl ZINC000543228921 341037213 /nfs/dbraw/zinc/03/72/13/341037213.db2.gz GJIOOPFVUYMTNP-CABCVRRESA-N 1 0 323.864 4.200 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCCCS2)ccc1OC ZINC000543237142 341037444 /nfs/dbraw/zinc/03/74/44/341037444.db2.gz RFVPURYEFQJHHU-MRXNPFEDSA-N 1 0 321.486 4.025 20 30 DIEDRO CSc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543414179 341043132 /nfs/dbraw/zinc/04/31/32/341043132.db2.gz SQSQWTCWKUOUFM-UHFFFAOYSA-N 1 0 308.450 4.445 20 30 DIEDRO CCOc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000543414298 341043143 /nfs/dbraw/zinc/04/31/43/341043143.db2.gz XCBFVLWSCGEBHC-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000543487124 341047082 /nfs/dbraw/zinc/04/70/82/341047082.db2.gz KYZLDUOSUWCZSP-HOTGVXAUSA-N 1 0 320.502 4.014 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873786 341062224 /nfs/dbraw/zinc/06/22/24/341062224.db2.gz HTNLXTQKDVGWIU-IIBYNOLFSA-N 1 0 320.436 4.445 20 30 DIEDRO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543961858 341064407 /nfs/dbraw/zinc/06/44/07/341064407.db2.gz UGRKVVOQFXKVMG-CVEARBPZSA-N 1 0 308.425 4.301 20 30 DIEDRO COc1cccc(C2=CC[N@H+](Cc3ccc(CC#N)cc3)CC2)c1 ZINC000544068635 341069039 /nfs/dbraw/zinc/06/90/39/341069039.db2.gz UAJSSRCKOFGJHO-UHFFFAOYSA-N 1 0 318.420 4.051 20 30 DIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1C(F)(F)F ZINC000544069767 341069082 /nfs/dbraw/zinc/06/90/82/341069082.db2.gz PIPQYTHICFSZMY-UHFFFAOYSA-N 1 0 318.342 4.403 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(N2CCCC2)c1 ZINC000544117910 341070794 /nfs/dbraw/zinc/07/07/94/341070794.db2.gz VGAGEHABMBZFLQ-QGZVFWFLSA-N 1 0 319.452 4.204 20 30 DIEDRO N#CCc1ccc(C[N@@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000544143771 341071880 /nfs/dbraw/zinc/07/18/80/341071880.db2.gz KJENKERNGNMHRT-UHFFFAOYSA-N 1 0 308.400 4.099 20 30 DIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000544927390 341099730 /nfs/dbraw/zinc/09/97/30/341099730.db2.gz AGLBKYAQYMOOLC-OXQOHEQNSA-N 1 0 311.473 4.208 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000545272229 341118409 /nfs/dbraw/zinc/11/84/09/341118409.db2.gz CCXOWFUOQJRGCL-WFASDCNBSA-N 1 0 305.418 4.142 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000545865811 341143603 /nfs/dbraw/zinc/14/36/03/341143603.db2.gz YDTIFRYWKOZRON-DEYYWGMASA-N 1 0 317.864 4.353 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000074336155 341144150 /nfs/dbraw/zinc/14/41/50/341144150.db2.gz NOXAXYIUHJGCNQ-GFCCVEGCSA-N 1 0 302.324 4.010 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000545978974 341149258 /nfs/dbraw/zinc/14/92/58/341149258.db2.gz XEONUQKTTVLSSZ-XJKCOSOUSA-N 1 0 314.256 4.156 20 30 DIEDRO N#CCSCCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000074989989 341159177 /nfs/dbraw/zinc/15/91/77/341159177.db2.gz HXDHERNESZRXKB-UHFFFAOYSA-N 1 0 308.450 4.316 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000546573212 341173262 /nfs/dbraw/zinc/17/32/62/341173262.db2.gz ZOZVNXMFZNILAB-UHFFFAOYSA-N 1 0 316.448 4.148 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000134155549 341207896 /nfs/dbraw/zinc/20/78/96/341207896.db2.gz XRENTJNYQMCZHP-UKRRQHHQSA-N 1 0 314.454 4.241 20 30 DIEDRO COc1ccc2cc(C[NH2+]Cc3ccc(C#N)cc3F)ccc2c1 ZINC000237284007 341210614 /nfs/dbraw/zinc/21/06/14/341210614.db2.gz RESNEHADAAODRS-UHFFFAOYSA-N 1 0 320.367 4.149 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccc(C#N)cc1 ZINC000134267426 341211497 /nfs/dbraw/zinc/21/14/97/341211497.db2.gz BAVOGRRSWSRTPI-CQSZACIVSA-N 1 0 306.409 4.123 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000076767091 341213733 /nfs/dbraw/zinc/21/37/33/341213733.db2.gz CWHKNHBCELZMCX-ACJLOTCBSA-N 1 0 314.816 4.077 20 30 DIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)c1 ZINC000237740130 341219447 /nfs/dbraw/zinc/21/94/47/341219447.db2.gz DHSSBMWPXWEILD-UHFFFAOYSA-N 1 0 314.429 4.360 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H](CC)C1CCOCC1)c1ccc(F)c(F)c1 ZINC000548158001 341250202 /nfs/dbraw/zinc/25/02/02/341250202.db2.gz HARQRDCCHPYHJC-MSOLQXFVSA-N 1 0 309.400 4.377 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H](CC)C1CCOCC1)c1ccc(F)c(F)c1 ZINC000548158003 341250251 /nfs/dbraw/zinc/25/02/51/341250251.db2.gz HARQRDCCHPYHJC-ROUUACIJSA-N 1 0 309.400 4.377 20 30 DIEDRO N#CCSCCC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000080626552 341274243 /nfs/dbraw/zinc/27/42/43/341274243.db2.gz QUFQGCQYEKZSEU-FQEVSTJZSA-N 1 0 322.477 4.281 20 30 DIEDRO CC(C)(C[NH2+]Cc1cccc(OCCCC#N)c1)C(F)(F)F ZINC000548859788 341278496 /nfs/dbraw/zinc/27/84/96/341278496.db2.gz YRHRUNDIWIHFHH-UHFFFAOYSA-N 1 0 314.351 4.047 20 30 DIEDRO COc1ccc([C@@H](CCC#N)[NH2+]CC(C)(C)C(F)(F)F)cc1 ZINC000549039215 341284252 /nfs/dbraw/zinc/28/42/52/341284252.db2.gz GSUIVPCBWXSPIV-CQSZACIVSA-N 1 0 314.351 4.218 20 30 DIEDRO C=C(C)CC[NH2+][C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549117225 341286241 /nfs/dbraw/zinc/28/62/41/341286241.db2.gz LIRKPTZAOCLHTQ-IRXDYDNUSA-N 1 0 310.844 4.170 20 30 DIEDRO C=CCCCN(C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000549137123 341286750 /nfs/dbraw/zinc/28/67/50/341286750.db2.gz KTUIJBVMNHFIEF-GFCCVEGCSA-N 1 0 305.422 4.303 20 30 DIEDRO CCCOc1ccc(OCC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000549167913 341287743 /nfs/dbraw/zinc/28/77/43/341287743.db2.gz XVXDQKKKNUDGRD-INIZCTEOSA-N 1 0 324.424 4.077 20 30 DIEDRO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000549527939 341296439 /nfs/dbraw/zinc/29/64/39/341296439.db2.gz YNHKDIPNYYDUKC-NVXWUHKLSA-N 1 0 305.425 4.258 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cc(F)c(Cl)cc1Cl ZINC000549535371 341296672 /nfs/dbraw/zinc/29/66/72/341296672.db2.gz FMUDGGYETYOZBC-GUBZILKMSA-N 1 0 301.192 4.475 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cc(F)c(Cl)cc1Cl ZINC000549535370 341296695 /nfs/dbraw/zinc/29/66/95/341296695.db2.gz FMUDGGYETYOZBC-AEJSXWLSSA-N 1 0 301.192 4.475 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000245945312 341319132 /nfs/dbraw/zinc/31/91/32/341319132.db2.gz KJQCUBMAEIBMGP-CCKFTAQKSA-N 1 0 300.446 4.193 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000550855980 341324568 /nfs/dbraw/zinc/32/45/68/341324568.db2.gz GJGSYZDRBANGSZ-MJGOQNOKSA-N 1 0 300.490 4.089 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551238394 341334818 /nfs/dbraw/zinc/33/48/18/341334818.db2.gz BZULSMFJCUJVDE-FZMZJTMJSA-N 1 0 317.845 4.245 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551238395 341334861 /nfs/dbraw/zinc/33/48/61/341334861.db2.gz BZULSMFJCUJVDE-RISCZKNCSA-N 1 0 317.845 4.245 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000551241712 341335214 /nfs/dbraw/zinc/33/52/14/341335214.db2.gz VQAZUMVAFXXVFW-CYBMUJFWSA-N 1 0 300.368 4.367 20 30 DIEDRO C=C(C)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551418537 341341075 /nfs/dbraw/zinc/34/10/75/341341075.db2.gz GQHIRSFXCABLFS-INIZCTEOSA-N 1 0 313.363 4.339 20 30 DIEDRO C=CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551416180 341341098 /nfs/dbraw/zinc/34/10/98/341341098.db2.gz DUWCLCQYKNOWAS-MRXNPFEDSA-N 1 0 313.363 4.339 20 30 DIEDRO C=C(C)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551418539 341341120 /nfs/dbraw/zinc/34/11/20/341341120.db2.gz GQHIRSFXCABLFS-MRXNPFEDSA-N 1 0 313.363 4.339 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C/C=C\c3ccc(F)cc3F)CC2)c1 ZINC000551580411 341346298 /nfs/dbraw/zinc/34/62/98/341346298.db2.gz HPZWCCODQGELPE-RQOWECAXSA-N 1 0 310.347 4.129 20 30 DIEDRO N#CCC[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000551683521 341348812 /nfs/dbraw/zinc/34/88/12/341348812.db2.gz MYHXKUKISSJCFN-MRXNPFEDSA-N 1 0 323.827 4.456 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000551823458 341353080 /nfs/dbraw/zinc/35/30/80/341353080.db2.gz GWFIKFDTKRNENN-CABCVRRESA-N 1 0 308.347 4.235 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccco1 ZINC000552040297 341364056 /nfs/dbraw/zinc/36/40/56/341364056.db2.gz WMNZNUAQWUZTCR-QGZVFWFLSA-N 1 0 309.413 4.317 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1ccco1 ZINC000552043699 341364436 /nfs/dbraw/zinc/36/44/36/341364436.db2.gz ZGZDWSIOZILEEC-QAPCUYQASA-N 1 0 315.413 4.353 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cn(CCCC)nc1C)c1ccco1 ZINC000552062264 341366187 /nfs/dbraw/zinc/36/61/87/341366187.db2.gz RHNZOCDVGYMQNA-KRWDZBQOSA-N 1 0 301.434 4.382 20 30 DIEDRO COCCC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000552089568 341368959 /nfs/dbraw/zinc/36/89/59/341368959.db2.gz NTUQVPUWYLCZHK-YXJHDRRASA-N 1 0 320.864 4.132 20 30 DIEDRO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccc(C#N)cc1Cl ZINC000552097820 341369584 /nfs/dbraw/zinc/36/95/84/341369584.db2.gz NWKPURYQWXEWKE-VIFPVBQESA-N 1 0 302.727 4.205 20 30 DIEDRO C=CCC[C@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccco1 ZINC000552276451 341383285 /nfs/dbraw/zinc/38/32/85/341383285.db2.gz YIRPHFFFSBQMDQ-ROUUACIJSA-N 1 0 304.478 4.245 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000552286129 341384374 /nfs/dbraw/zinc/38/43/74/341384374.db2.gz KGPNGOJBUQTPIN-YVEFUNNKSA-N 1 0 300.402 4.342 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000552290907 341384618 /nfs/dbraw/zinc/38/46/18/341384618.db2.gz YVYCTOKYHDJEIP-PXAZEXFGSA-N 1 0 300.402 4.342 20 30 DIEDRO N#Cc1csc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000552316502 341386089 /nfs/dbraw/zinc/38/60/89/341386089.db2.gz CFRYQDBTTYTBMJ-AWEZNQCLSA-N 1 0 302.830 4.263 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)c2ccc(F)cn2)cc1 ZINC000552324072 341386547 /nfs/dbraw/zinc/38/65/47/341386547.db2.gz ZRQTUXISIVTMGC-QGZVFWFLSA-N 1 0 300.377 4.026 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000248785194 341386833 /nfs/dbraw/zinc/38/68/33/341386833.db2.gz IGZZOEDUPYHJLD-CWFSZBLJSA-N 1 0 306.409 4.129 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1OCC ZINC000248912941 341390030 /nfs/dbraw/zinc/39/00/30/341390030.db2.gz VQLOMSCIZJLAFS-UXLLHSPISA-N 1 0 316.445 4.217 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2ccccc2C1 ZINC000552968981 341411097 /nfs/dbraw/zinc/41/10/97/341411097.db2.gz FKPAZTLICNGDIZ-CTNGQTDRSA-N 1 0 302.421 4.083 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)C1CC1 ZINC000090911410 341420238 /nfs/dbraw/zinc/42/02/38/341420238.db2.gz XOAIPQSSBGFHIM-WMLDXEAASA-N 1 0 311.429 4.175 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(Br)cs1 ZINC000554079179 341443011 /nfs/dbraw/zinc/44/30/11/341443011.db2.gz RONFOCNXWIHCHR-SNVBAGLBSA-N 1 0 315.280 4.491 20 30 DIEDRO C=CCOCC[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000555422850 341482670 /nfs/dbraw/zinc/48/26/70/341482670.db2.gz KAWLJKBUMUDDJR-KRWDZBQOSA-N 1 0 301.455 4.133 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000556218681 341497687 /nfs/dbraw/zinc/49/76/87/341497687.db2.gz ZEXLOTDCRHSAAV-ZDUSSCGKSA-N 1 0 318.852 4.174 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(F)c(F)c(F)c1 ZINC000564717777 341507669 /nfs/dbraw/zinc/50/76/69/341507669.db2.gz MFMQWXAUIFSQCJ-NSHDSACASA-N 1 0 316.326 4.315 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000565098810 341517059 /nfs/dbraw/zinc/51/70/59/341517059.db2.gz RENIXNDPLWBBCH-ZDUSSCGKSA-N 1 0 318.342 4.470 20 30 DIEDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc(CC#N)cc1)CCCO2 ZINC000566219330 341551060 /nfs/dbraw/zinc/55/10/60/341551060.db2.gz DTYPQIZKMAYOGI-HXUWFJFHSA-N 1 0 320.436 4.373 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000567026878 341575243 /nfs/dbraw/zinc/57/52/43/341575243.db2.gz XGCGRWBASSMACR-UHFFFAOYSA-N 1 0 300.446 4.338 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000156849692 341627413 /nfs/dbraw/zinc/62/74/13/341627413.db2.gz DBHWKCCJTQWLNN-INIZCTEOSA-N 1 0 317.408 4.143 20 30 DIEDRO N#CCc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000574692398 341766075 /nfs/dbraw/zinc/76/60/75/341766075.db2.gz LHNUUYPDCWWMMG-UHFFFAOYSA-N 1 0 320.436 4.274 20 30 DIEDRO CC(C)N(C)c1ccccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000574847871 341770710 /nfs/dbraw/zinc/77/07/10/341770710.db2.gz LWICMMZJSGYFHI-FQEVSTJZSA-N 1 0 319.452 4.180 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000174104351 341823752 /nfs/dbraw/zinc/82/37/52/341823752.db2.gz AAMMATFIQJIVKB-DNVCBOLYSA-N 1 0 323.415 4.017 20 30 DIEDRO COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000174430597 341826801 /nfs/dbraw/zinc/82/68/01/341826801.db2.gz JOQBLQNVTDLHLP-LBPRGKRZSA-N 1 0 300.789 4.071 20 30 DIEDRO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000576793886 341863560 /nfs/dbraw/zinc/86/35/60/341863560.db2.gz ZPIMFSVWJVJUTN-FQEVSTJZSA-N 1 0 316.404 4.433 20 30 DIEDRO COc1ccc([C@@H](CCC#N)[NH2+]CCSCC(C)C)cc1 ZINC000577703613 341930171 /nfs/dbraw/zinc/93/01/71/341930171.db2.gz DDIWKRJQANROOG-QGZVFWFLSA-N 1 0 306.475 4.019 20 30 DIEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000577991727 341964515 /nfs/dbraw/zinc/96/45/15/341964515.db2.gz MQYHQIROXCKWQU-CVEARBPZSA-N 1 0 309.413 4.003 20 30 DIEDRO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CC1(CC#N)CC1 ZINC000430030224 517753858 /nfs/dbraw/zinc/75/38/58/517753858.db2.gz ZWOIZLKHCYDGDY-OAHLLOKOSA-N 1 0 317.452 4.091 20 30 DIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC000182629154 519781774 /nfs/dbraw/zinc/78/17/74/519781774.db2.gz OWAULQCPSSZKQS-AWEZNQCLSA-N 1 0 312.388 4.335 20 30 DIEDRO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000288426957 534588878 /nfs/dbraw/zinc/58/88/78/534588878.db2.gz KIIQUFGWLHLITR-UHFFFAOYSA-N 1 0 323.440 4.058 20 30 DIEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546146 521890493 /nfs/dbraw/zinc/89/04/93/521890493.db2.gz RNHLXMAPBJJPOZ-YOEHRIQHSA-N 1 0 324.428 4.009 20 30 DIEDRO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)c2ccc(C#N)cc2)o1 ZINC000131304103 523023134 /nfs/dbraw/zinc/02/31/34/523023134.db2.gz ATELKDJSJAYAMK-RDTXWAMCSA-N 1 0 310.397 4.196 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000181424647 525204558 /nfs/dbraw/zinc/20/45/58/525204558.db2.gz VLYOFDKGRCDLHZ-VLIAUNLRSA-N 1 0 306.409 4.369 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000181861770 525442944 /nfs/dbraw/zinc/44/29/44/525442944.db2.gz IUDSTLUWSWEMBQ-HNNXBMFYSA-N 1 0 323.415 4.148 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@@H]1CCOC1 ZINC000367803249 525604701 /nfs/dbraw/zinc/60/47/01/525604701.db2.gz QVJGICQVDPIXLU-GCKMJXCFSA-N 1 0 320.436 4.301 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1cccc(C#N)c1 ZINC000181320370 525637037 /nfs/dbraw/zinc/63/70/37/525637037.db2.gz YOHSFQIZZXKUAI-FZKQIMNGSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000181430850 525666683 /nfs/dbraw/zinc/66/66/83/525666683.db2.gz RNSDFNXGZRKEAO-DYESRHJHSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000181622890 525669393 /nfs/dbraw/zinc/66/93/93/525669393.db2.gz WDAZUMWUAROFIM-UIAACRFSSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1cccc(C#N)c1 ZINC000181320411 525677876 /nfs/dbraw/zinc/67/78/76/525677876.db2.gz YOHSFQIZZXKUAI-ACJLOTCBSA-N 1 0 310.372 4.262 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000265475197 526035193 /nfs/dbraw/zinc/03/51/93/526035193.db2.gz JZAWKDPGLDJZNS-HRAATJIYSA-N 1 0 320.436 4.065 20 30 DIEDRO N#Cc1ccc(CNc2cc3c(c[nH+]2)CCC3)c(C(F)(F)F)c1 ZINC000339556833 526628424 /nfs/dbraw/zinc/62/84/24/526628424.db2.gz PNRWYUUMZLUXRA-UHFFFAOYSA-N 1 0 317.314 4.073 20 30 DIEDRO Cn1cc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1C#N ZINC000191318096 527220084 /nfs/dbraw/zinc/22/00/84/527220084.db2.gz SBHYMDIKFKGKEN-KRWDZBQOSA-N 1 0 317.383 4.052 20 30 DIEDRO CCSc1cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)ccn1 ZINC000275093174 535732385 /nfs/dbraw/zinc/73/23/85/535732385.db2.gz AAUASNLKUCLBFN-GFCCVEGCSA-N 1 0 315.417 4.055 20 30 DIEDRO C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615421 1050656817 /nfs/dbraw/zinc/65/68/17/1050656817.db2.gz QWKQOPVKKSUOEP-OLZOCXBDSA-N 1 0 307.235 4.136 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001256173837 1062741065 /nfs/dbraw/zinc/74/10/65/1062741065.db2.gz UGZGWIOOEQILRB-XJKCOSOUSA-N 1 0 321.262 4.052 20 30 DIEDRO C=CCCCCCCCCC[N@@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001207899739 1035519354 /nfs/dbraw/zinc/51/93/54/1035519354.db2.gz KRJUVUXTERWKGE-IBGZPJMESA-N 1 0 308.510 4.236 20 30 DIEDRO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000610216095 1035752507 /nfs/dbraw/zinc/75/25/07/1035752507.db2.gz LGLXTBMXODATSC-LAUBAEHRSA-N 1 0 320.436 4.063 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000119351043 1035770314 /nfs/dbraw/zinc/77/03/14/1035770314.db2.gz YLAXXSHCALPVRA-NEPJUHHUSA-N 1 0 302.443 4.352 20 30 DIEDRO COc1ccccc1C[N@H+](Cc1ccc(C)c(C#N)c1)C1CC1 ZINC001167077782 1035797760 /nfs/dbraw/zinc/79/77/60/1035797760.db2.gz NPEDUPRYWUQLRV-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)C[C@H](CC)CCC(=O)OC ZINC001208789715 1035859560 /nfs/dbraw/zinc/85/95/60/1035859560.db2.gz USPHGHSVYVJWNZ-QGZVFWFLSA-N 1 0 303.446 4.044 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000154324753 1035864104 /nfs/dbraw/zinc/86/41/04/1035864104.db2.gz DANKJSVJBPNVJJ-KSSFIOAISA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)c1ccc(C#N)cc1 ZINC000154340835 1035874532 /nfs/dbraw/zinc/87/45/32/1035874532.db2.gz FFRGMVKUURTPMI-KBPBESRZSA-N 1 0 311.404 4.175 20 30 DIEDRO CN(C)CC[N@H+](Cc1cccc(Cl)c1)CC(C)(C)CCC#N ZINC000349063536 1035879662 /nfs/dbraw/zinc/87/96/62/1035879662.db2.gz QAZJJNSGIWADBM-UHFFFAOYSA-N 1 0 321.896 4.034 20 30 DIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCc2ccc(C#N)cc2)cc1 ZINC001208926011 1035946415 /nfs/dbraw/zinc/94/64/15/1035946415.db2.gz DSBPYSCIUSCUMB-OAQYLSRUSA-N 1 0 320.436 4.337 20 30 DIEDRO N#Cc1ccc(CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC001208926189 1035948109 /nfs/dbraw/zinc/94/81/09/1035948109.db2.gz IHNYALLLPXPVON-UHFFFAOYSA-N 1 0 322.427 4.195 20 30 DIEDRO C=CCCCC[N@@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209206987 1036060235 /nfs/dbraw/zinc/06/02/35/1036060235.db2.gz FYPJYXZCXDUQEP-UHFFFAOYSA-N 1 0 324.509 4.454 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C(C)C)C1CCC1 ZINC000533532617 1036078338 /nfs/dbraw/zinc/07/83/38/1036078338.db2.gz PZRFOCJCMVGAAI-UHFFFAOYSA-N 1 0 318.486 4.166 20 30 DIEDRO C=CC[N@@H+](CCOC1CCCCCC1)Cc1ccc(OC)cc1 ZINC001167117084 1036113981 /nfs/dbraw/zinc/11/39/81/1036113981.db2.gz ZNDMYYPCIHQCLC-UHFFFAOYSA-N 1 0 317.473 4.423 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1c1ccccc1 ZINC001209432837 1036171825 /nfs/dbraw/zinc/17/18/25/1036171825.db2.gz KPKAMCMAQGISIL-RBUKOAKNSA-N 1 0 315.457 4.359 20 30 DIEDRO C=CC[N@@H+](CCCc1ccccc1OC)Cc1ccccc1F ZINC001167137562 1036173262 /nfs/dbraw/zinc/17/32/62/1036173262.db2.gz AYBOHLNHAIVZRA-UHFFFAOYSA-N 1 0 313.416 4.455 20 30 DIEDRO C=CCCCCCC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001209441778 1036187305 /nfs/dbraw/zinc/18/73/05/1036187305.db2.gz ZVLSGAXNZQPLFV-HNNXBMFYSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCCCCN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209442379 1036188765 /nfs/dbraw/zinc/18/87/65/1036188765.db2.gz HENJFEKMQWALPA-UHFFFAOYSA-N 1 0 304.522 4.321 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCc2ccccc2C1 ZINC001167164138 1036230635 /nfs/dbraw/zinc/23/06/35/1036230635.db2.gz NXOBSRWVVPKWHR-KRWDZBQOSA-N 1 0 310.466 4.389 20 30 DIEDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108729 1036310159 /nfs/dbraw/zinc/31/01/59/1036310159.db2.gz VFSQKSDOBWXDIX-KSSFIOAISA-N 1 0 318.848 4.254 20 30 DIEDRO CO[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001167247558 1036317718 /nfs/dbraw/zinc/31/77/18/1036317718.db2.gz BBJCKDUZQDGRGE-NRFANRHFSA-N 1 0 322.452 4.026 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CC2(CO1)CCCCC2 ZINC001167252105 1036327931 /nfs/dbraw/zinc/32/79/31/1036327931.db2.gz SUYSMUYNURLRAH-HXUWFJFHSA-N 1 0 324.468 4.286 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC001167267644 1036350265 /nfs/dbraw/zinc/35/02/65/1036350265.db2.gz GYZMYZPNZHDPID-IBGZPJMESA-N 1 0 316.489 4.300 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599068191 1036457239 /nfs/dbraw/zinc/45/72/39/1036457239.db2.gz LULYMDLUUZOMOP-CTNGQTDRSA-N 1 0 317.436 4.462 20 30 DIEDRO C[C@@H](NCc1ccc(C#N)s1)c1nc(C(C)(C)C)cs1 ZINC000176965447 1036521347 /nfs/dbraw/zinc/52/13/47/1036521347.db2.gz IZXKPZITWNESPJ-SNVBAGLBSA-N 1 0 305.472 4.225 20 30 DIEDRO CC[N@H+](Cc1nc2cc(F)ccc2o1)[C@H](C)c1ccc(C#N)cc1 ZINC000176979079 1036523958 /nfs/dbraw/zinc/52/39/58/1036523958.db2.gz DKGYMZCGNHLRKL-CYBMUJFWSA-N 1 0 323.371 4.422 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)ccc1F ZINC001167303217 1036559674 /nfs/dbraw/zinc/55/96/74/1036559674.db2.gz YHYJCAYZGXOXEI-SFHVURJKSA-N 1 0 308.400 4.467 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2cccnc2)C(C)C)cc1 ZINC000177595502 1036570538 /nfs/dbraw/zinc/57/05/38/1036570538.db2.gz ZWIZVONKHOJQDA-NRFANRHFSA-N 1 0 322.452 4.013 20 30 DIEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1csc(C#N)c1 ZINC001648822218 1036587638 /nfs/dbraw/zinc/58/76/38/1036587638.db2.gz XLDSHTQJQGDWMI-OAHLLOKOSA-N 1 0 300.427 4.325 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(c3ccc(F)cc3)CC1)CC2 ZINC000580016805 1036753524 /nfs/dbraw/zinc/75/35/24/1036753524.db2.gz BJMLKSMVWCFXDK-LJQANCHMSA-N 1 0 306.384 4.006 20 30 DIEDRO COc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000610341687 1036832279 /nfs/dbraw/zinc/83/22/79/1036832279.db2.gz LXPUGDJJSUBKTD-HNNXBMFYSA-N 1 0 308.425 4.195 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(-c2ccncc2)c1)c1ccc(C#N)cc1 ZINC000610346159 1036841242 /nfs/dbraw/zinc/84/12/42/1036841242.db2.gz MZJJUONTCNZPEU-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO N#Cc1csc(C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000177679964 1036852414 /nfs/dbraw/zinc/85/24/14/1036852414.db2.gz DOJLEZJFAGTTSR-UHFFFAOYSA-N 1 0 304.418 4.499 20 30 DIEDRO CCCCOc1cccc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000177686341 1036879880 /nfs/dbraw/zinc/87/98/80/1036879880.db2.gz VNZKJEXVGGMBIL-UHFFFAOYSA-N 1 0 300.427 4.088 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1OC(F)F ZINC000177684538 1036881894 /nfs/dbraw/zinc/88/18/94/1036881894.db2.gz WCHYZQHTETYVGY-CQSZACIVSA-N 1 0 322.380 4.462 20 30 DIEDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000616745359 1036997159 /nfs/dbraw/zinc/99/71/59/1036997159.db2.gz YWJCRDPGORFFJB-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cccc(Br)c1Cl)C(C)(C)C ZINC000706557303 1037084214 /nfs/dbraw/zinc/08/42/14/1037084214.db2.gz BFLVVGOAHLNLOR-GFCCVEGCSA-N 1 0 314.654 4.240 20 30 DIEDRO C=CC[N@@H+](Cc1cc(C(=O)OC)cs1)CC1CCCCC1 ZINC001167392623 1037107453 /nfs/dbraw/zinc/10/74/53/1037107453.db2.gz VJYQJNJTKUCCMI-UHFFFAOYSA-N 1 0 307.459 4.103 20 30 DIEDRO CO[C@H](C)C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C(C)C ZINC000580502404 1037171651 /nfs/dbraw/zinc/17/16/51/1037171651.db2.gz UBULGFZSLHKHSZ-QGZVFWFLSA-N 1 0 322.452 4.471 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610447702 1037207325 /nfs/dbraw/zinc/20/73/25/1037207325.db2.gz APBJTWYXVXAXJE-MOPGFXCFSA-N 1 0 314.473 4.416 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000561159409 1037249697 /nfs/dbraw/zinc/24/96/97/1037249697.db2.gz DPJCAUJDSPJHHL-SFTDATJTSA-N 1 0 313.404 4.084 20 30 DIEDRO C[C@H](CCc1ccccc1F)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000580824409 1037318968 /nfs/dbraw/zinc/31/89/68/1037318968.db2.gz MMWXYVOLKNUQMN-OAHLLOKOSA-N 1 0 308.400 4.297 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000580833869 1037322976 /nfs/dbraw/zinc/32/29/76/1037322976.db2.gz JWANEWJBUHQUOM-UHFFFAOYSA-N 1 0 305.425 4.264 20 30 DIEDRO Cc1cc(Br)ccc1C[N@H+](C)CCC(C)(C)C#N ZINC000558119011 1037455025 /nfs/dbraw/zinc/45/50/25/1037455025.db2.gz WFQYEBRZFNUJGC-UHFFFAOYSA-N 1 0 309.251 4.129 20 30 DIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001167452414 1037505028 /nfs/dbraw/zinc/50/50/28/1037505028.db2.gz CDUIKUNBGFNUQD-QGZVFWFLSA-N 1 0 315.417 4.257 20 30 DIEDRO N#CCSCCC[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000581443738 1037642098 /nfs/dbraw/zinc/64/20/98/1037642098.db2.gz LJWJTFULPWMNBE-GOSISDBHSA-N 1 0 302.487 4.121 20 30 DIEDRO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC001167464376 1037657099 /nfs/dbraw/zinc/65/70/99/1037657099.db2.gz KUPBRWNRUIGPQB-VQTJNVASSA-N 1 0 320.436 4.275 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001167465180 1037671728 /nfs/dbraw/zinc/67/17/28/1037671728.db2.gz VUMXUPKRRWDXFW-MJGOQNOKSA-N 1 0 307.412 4.364 20 30 DIEDRO C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(C#N)cc1 ZINC000320155017 1037697966 /nfs/dbraw/zinc/69/79/66/1037697966.db2.gz JWINCRAVKJJVPB-MRXNPFEDSA-N 1 0 303.409 4.254 20 30 DIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccoc1 ZINC000537979813 1037702504 /nfs/dbraw/zinc/70/25/04/1037702504.db2.gz XEJKNOGCPHRXMV-NNGSBXSVSA-N 1 0 310.397 4.192 20 30 DIEDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000610511364 1037750523 /nfs/dbraw/zinc/75/05/23/1037750523.db2.gz NURFDNZHZDVCNK-UHFFFAOYSA-N 1 0 300.427 4.087 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000160970061 1037778737 /nfs/dbraw/zinc/77/87/37/1037778737.db2.gz MIMDSRLPAYNGGN-SFHVURJKSA-N 1 0 311.450 4.317 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133725 1037819138 /nfs/dbraw/zinc/81/91/38/1037819138.db2.gz BBHXJLUVVOMZNL-LEWJYISDSA-N 1 0 320.436 4.158 20 30 DIEDRO CC[C@H]([NH2+][C@H]1C[C@H](OC(C)C)C1(C)C)c1ccc(C#N)cc1 ZINC000581706247 1037928272 /nfs/dbraw/zinc/92/82/72/1037928272.db2.gz RBPMXWRRKQBICN-BZSNNMDCSA-N 1 0 300.446 4.191 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001625871311 1037933725 /nfs/dbraw/zinc/93/37/25/1037933725.db2.gz KGKYUVUQXUDVRU-BUHFOSPRSA-N 1 0 308.510 4.236 20 30 DIEDRO C=CC[N@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000597983730 1037995003 /nfs/dbraw/zinc/99/50/03/1037995003.db2.gz FPWJMFMRIGWBHS-UHFFFAOYSA-N 1 0 301.409 4.046 20 30 DIEDRO CC[N@H+](Cc1cccc(C#N)n1)[C@H](C)c1cc2ccccc2o1 ZINC000602447255 1038009637 /nfs/dbraw/zinc/00/96/37/1038009637.db2.gz CGKGDWXSWOFSEY-CQSZACIVSA-N 1 0 305.381 4.283 20 30 DIEDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)CCC#N)oc21 ZINC000602501355 1038017901 /nfs/dbraw/zinc/01/79/01/1038017901.db2.gz GHUJWPDERCCAQP-KBPBESRZSA-N 1 0 300.402 4.422 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cnn(C(C)(C)C)c1C)c1ccccc1 ZINC000276578953 1038023198 /nfs/dbraw/zinc/02/31/98/1038023198.db2.gz UYWKGTNEIPJHOQ-DNVCBOLYSA-N 1 0 309.457 4.362 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000602517635 1038023930 /nfs/dbraw/zinc/02/39/30/1038023930.db2.gz ICEMHRMJOFCKEM-DLBZAZTESA-N 1 0 323.440 4.251 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000602520509 1038023955 /nfs/dbraw/zinc/02/39/55/1038023955.db2.gz HDBIPWYBMQTUHH-CHWSQXEVSA-N 1 0 314.351 4.218 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000602520511 1038024126 /nfs/dbraw/zinc/02/41/26/1038024126.db2.gz HDBIPWYBMQTUHH-QWHCGFSZSA-N 1 0 314.351 4.218 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000602516348 1038025738 /nfs/dbraw/zinc/02/57/38/1038025738.db2.gz ZLLUMXXABJRXPZ-GOSISDBHSA-N 1 0 322.452 4.433 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000602509503 1038030526 /nfs/dbraw/zinc/03/05/26/1038030526.db2.gz HMWXEHUUASOIJA-AWEZNQCLSA-N 1 0 313.376 4.042 20 30 DIEDRO CC(C)[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602511436 1038030619 /nfs/dbraw/zinc/03/06/19/1038030619.db2.gz RNNSELNNNGQHKW-PKOBYXMFSA-N 1 0 314.473 4.115 20 30 DIEDRO N#CC1CCC([NH2+]Cc2cccc(COCc3ccco3)c2)CC1 ZINC000602512609 1038030727 /nfs/dbraw/zinc/03/07/27/1038030727.db2.gz WEQGYGKSSJHBLH-UHFFFAOYSA-N 1 0 324.424 4.168 20 30 DIEDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)CCC#N)ccc1OC(C)C ZINC000602511743 1038032156 /nfs/dbraw/zinc/03/21/56/1038032156.db2.gz TXXAWGAXZOLCLB-GJZGRUSLSA-N 1 0 304.434 4.073 20 30 DIEDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](C)CCC#N)c(C)c2c1 ZINC000602538436 1038033409 /nfs/dbraw/zinc/03/34/09/1038033409.db2.gz LVVSZIZOUQMHTO-TZMCWYRMSA-N 1 0 300.402 4.340 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000602539088 1038033776 /nfs/dbraw/zinc/03/37/76/1038033776.db2.gz BNZQIYLEEJWLLA-SFHVURJKSA-N 1 0 311.816 4.238 20 30 DIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602554603 1038036004 /nfs/dbraw/zinc/03/60/04/1038036004.db2.gz BTRLIBLFDIDYLO-PSPNYPNSSA-N 1 0 306.837 4.088 20 30 DIEDRO COc1ccc(C[NH2+]C[C@@H](C)CCC#N)cc1OC1CCCC1 ZINC000602534666 1038036178 /nfs/dbraw/zinc/03/61/78/1038036178.db2.gz ISCCDDNSEUCNIP-HNNXBMFYSA-N 1 0 316.445 4.046 20 30 DIEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000602535653 1038036954 /nfs/dbraw/zinc/03/69/54/1038036954.db2.gz WIDUPDOBQGALOM-GOSISDBHSA-N 1 0 313.445 4.084 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000602536522 1038037237 /nfs/dbraw/zinc/03/72/37/1038037237.db2.gz UKVYAPUZHPYCFI-IBGZPJMESA-N 1 0 309.388 4.113 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000602569220 1038039737 /nfs/dbraw/zinc/03/97/37/1038039737.db2.gz PLKCASYWCBBGEZ-CBCUQQMYSA-N 1 0 316.420 4.347 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)n1 ZINC000602569952 1038041692 /nfs/dbraw/zinc/04/16/92/1038041692.db2.gz DTQPZBHWYRITLK-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO COc1ccc(-c2csc(C[NH2+]C[C@@H](C)CCC#N)c2)cc1 ZINC000602572125 1038042222 /nfs/dbraw/zinc/04/22/22/1038042222.db2.gz KHSWMOMAJUSWKW-AWEZNQCLSA-N 1 0 314.454 4.453 20 30 DIEDRO CC(C)[C@@H](NCc1cccc(C#N)n1)c1ccc(Cl)cc1F ZINC000602595526 1038043280 /nfs/dbraw/zinc/04/32/80/1038043280.db2.gz CGQPQCAAHUVOHT-QGZVFWFLSA-N 1 0 317.795 4.233 20 30 DIEDRO CC(C)c1nc([C@@H]2CCCCCN2C[C@H](C)CCC#N)no1 ZINC000602597328 1038043834 /nfs/dbraw/zinc/04/38/34/1038043834.db2.gz AWUSMRZQJBWQGL-CABCVRRESA-N 1 0 304.438 4.050 20 30 DIEDRO N#CC1CCC([NH2+]CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000602576785 1038045920 /nfs/dbraw/zinc/04/59/20/1038045920.db2.gz PGICKBCQMDMING-UHFFFAOYSA-N 1 0 319.861 4.164 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000602577466 1038046272 /nfs/dbraw/zinc/04/62/72/1038046272.db2.gz UWXMUUBSJKXGJS-KWCHVYNWSA-N 1 0 314.326 4.491 20 30 DIEDRO N#CC1CCC([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC1 ZINC000602578848 1038046319 /nfs/dbraw/zinc/04/63/19/1038046319.db2.gz HURSAYWFARXWIK-UHFFFAOYSA-N 1 0 306.812 4.183 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000602579963 1038046621 /nfs/dbraw/zinc/04/66/21/1038046621.db2.gz CLJJCLCEKWCKBB-GFCCVEGCSA-N 1 0 315.244 4.039 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)n1 ZINC000602576063 1038047562 /nfs/dbraw/zinc/04/75/62/1038047562.db2.gz LIXPYOOPRUHHRR-IBGZPJMESA-N 1 0 309.388 4.113 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000602601337 1038047772 /nfs/dbraw/zinc/04/77/72/1038047772.db2.gz KLUIXVZGPLTXJT-MRXNPFEDSA-N 1 0 303.409 4.255 20 30 DIEDRO CC1(C)CC[C@@H]2C[C@H]([NH2+]Cc3cccc(C#N)n3)c3cccc1c32 ZINC000602581399 1038048117 /nfs/dbraw/zinc/04/81/17/1038048117.db2.gz JOEPTWBWUBUHSY-KUHUBIRLSA-N 1 0 317.436 4.343 20 30 DIEDRO C[C@@H](C[NH2+]C1CCC(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000602626584 1038049101 /nfs/dbraw/zinc/04/91/01/1038049101.db2.gz LIIIBFZRTGWXNM-FUJMWEONSA-N 1 0 310.363 4.481 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)CCC2 ZINC000602672618 1038057612 /nfs/dbraw/zinc/05/76/12/1038057612.db2.gz NHGYYQOHVYZFMK-QFBILLFUSA-N 1 0 312.457 4.061 20 30 DIEDRO Cc1cccc2nc(C3CC[NH+](C[C@H](C)CCC#N)CC3)oc21 ZINC000602628091 1038058216 /nfs/dbraw/zinc/05/82/16/1038058216.db2.gz HBDZAZDREGMUCZ-CQSZACIVSA-N 1 0 311.429 4.256 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000602671085 1038059658 /nfs/dbraw/zinc/05/96/58/1038059658.db2.gz IQOMNZYHBZVQRW-LBPRGKRZSA-N 1 0 312.335 4.104 20 30 DIEDRO CCC[N@H+](C[C@H](C)CCC#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000602654459 1038061400 /nfs/dbraw/zinc/06/14/00/1038061400.db2.gz UOXHFQQVKANESL-IAGOWNOFSA-N 1 0 315.461 4.056 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000602657946 1038062795 /nfs/dbraw/zinc/06/27/95/1038062795.db2.gz VCHLHTZNCFYLSD-GOSISDBHSA-N 1 0 307.441 4.066 20 30 DIEDRO N#CC1CCC([NH2+]CC2(c3c(F)cccc3F)CCC2)CC1 ZINC000602690403 1038067310 /nfs/dbraw/zinc/06/73/10/1038067310.db2.gz LPGBZBVETWJGGA-UHFFFAOYSA-N 1 0 304.384 4.058 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000602691880 1038067956 /nfs/dbraw/zinc/06/79/56/1038067956.db2.gz VDDRKNGEXCBMEV-GDBMZVCRSA-N 1 0 311.816 4.033 20 30 DIEDRO CCCC[N@H+](C[C@@H](C)CCC#N)[C@@H]1CCc2ncsc2C1 ZINC000602701119 1038072201 /nfs/dbraw/zinc/07/22/01/1038072201.db2.gz ASESAWSCYIDTPK-LSDHHAIUSA-N 1 0 305.491 4.042 20 30 DIEDRO C[C@H](CCC#N)CNc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000602700095 1038073855 /nfs/dbraw/zinc/07/38/55/1038073855.db2.gz RURQXSLLWGUGOA-MRXNPFEDSA-N 1 0 317.502 4.226 20 30 DIEDRO N#CC1CCC([NH2+]CCc2c[nH]c3c2cccc3Cl)CC1 ZINC000602732134 1038079233 /nfs/dbraw/zinc/07/92/33/1038079233.db2.gz ZGPGQLPJKFCHMC-UHFFFAOYSA-N 1 0 301.821 4.036 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000602728959 1038079373 /nfs/dbraw/zinc/07/93/73/1038079373.db2.gz FPCSALHCRTUVIM-NSHDSACASA-N 1 0 307.800 4.032 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602954037 1038117153 /nfs/dbraw/zinc/11/71/53/1038117153.db2.gz GNBBONTWHJLMOC-CQSZACIVSA-N 1 0 311.454 4.030 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000598600847 1038125336 /nfs/dbraw/zinc/12/53/36/1038125336.db2.gz GQAMBDXLRCPVIT-MOPGFXCFSA-N 1 0 314.473 4.198 20 30 DIEDRO Cc1cccc([C@H]2CCCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)c1C ZINC000598596849 1038129410 /nfs/dbraw/zinc/12/94/10/1038129410.db2.gz UMCNKZAMQRJMFM-PKOBYXMFSA-N 1 0 314.473 4.131 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598594467 1038129776 /nfs/dbraw/zinc/12/97/76/1038129776.db2.gz KKSIBAHMVDHBNC-CXAGYDPISA-N 1 0 320.864 4.166 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598594708 1038130013 /nfs/dbraw/zinc/13/00/13/1038130013.db2.gz IFGMPFFEELHRGL-GRDNDAEWSA-N 1 0 322.880 4.065 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000598613610 1038132149 /nfs/dbraw/zinc/13/21/49/1038132149.db2.gz KNYMHOJJURSHNG-SJORKVTESA-N 1 0 320.864 4.168 20 30 DIEDRO CCC(CC)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598599823 1038133209 /nfs/dbraw/zinc/13/32/09/1038133209.db2.gz FYJMUFPQQMFBPA-MSOLQXFVSA-N 1 0 302.462 4.054 20 30 DIEDRO N#CCCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000341577565 1038144752 /nfs/dbraw/zinc/14/47/52/1038144752.db2.gz VVTJYOAGSFXFSX-OAHLLOKOSA-N 1 0 307.235 4.184 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC000598679367 1038150806 /nfs/dbraw/zinc/15/08/06/1038150806.db2.gz HJPUMTVLJJPNLJ-SWLSCSKDSA-N 1 0 308.347 4.366 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000061001594 1038157518 /nfs/dbraw/zinc/15/75/18/1038157518.db2.gz CITIIUZWOPPGAH-UHFFFAOYSA-N 1 0 323.396 4.187 20 30 DIEDRO COCCCC[N@H+](Cc1csc(C#N)c1)Cc1ccccc1 ZINC000891811163 1038210058 /nfs/dbraw/zinc/21/00/58/1038210058.db2.gz YWLBGYONNRRFRX-UHFFFAOYSA-N 1 0 314.454 4.049 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)C1 ZINC000599043976 1038222341 /nfs/dbraw/zinc/22/23/41/1038222341.db2.gz QLTLAHDYLPOESC-CJBNDPTMSA-N 1 0 313.832 4.481 20 30 DIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000933773096 1038222666 /nfs/dbraw/zinc/22/26/66/1038222666.db2.gz BYQLHJSOBZKJFM-UHFFFAOYSA-N 1 0 309.438 4.053 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2F ZINC000341700039 1038232947 /nfs/dbraw/zinc/23/29/47/1038232947.db2.gz SPDPOJVNKRXVLY-VQTJNVASSA-N 1 0 306.384 4.352 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC000599093880 1038239289 /nfs/dbraw/zinc/23/92/89/1038239289.db2.gz AWSSPPDTWJPIHV-JSGCOSHPSA-N 1 0 301.821 4.036 20 30 DIEDRO Cc1ccc2nc(CSc3ccc(Cl)cc3C#N)cn2c1 ZINC000610655244 1038240358 /nfs/dbraw/zinc/24/03/58/1038240358.db2.gz WKPBGKBSXDLMGA-UHFFFAOYSA-N 1 0 313.813 4.460 20 30 DIEDRO CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1C ZINC000603629562 1038255476 /nfs/dbraw/zinc/25/54/76/1038255476.db2.gz KSFQIONILHFQAR-UHFFFAOYSA-N 1 0 303.409 4.142 20 30 DIEDRO COc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341757807 1038259183 /nfs/dbraw/zinc/25/91/83/1038259183.db2.gz LNSKLXRFIIDDAI-QRWLVFNGSA-N 1 0 320.436 4.165 20 30 DIEDRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341757048 1038260433 /nfs/dbraw/zinc/26/04/33/1038260433.db2.gz HICKSPHFECZVJN-AUUYWEPGSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000341756051 1038261062 /nfs/dbraw/zinc/26/10/62/1038261062.db2.gz BSPIOOTVLLDMMM-UGSOOPFHSA-N 1 0 320.392 4.015 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1OC ZINC000599348367 1038270979 /nfs/dbraw/zinc/27/09/79/1038270979.db2.gz JMHODONEPXCAJX-OAHLLOKOSA-N 1 0 324.424 4.043 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1C#N ZINC000599347311 1038271094 /nfs/dbraw/zinc/27/10/94/1038271094.db2.gz GMDQYVAUSQJTDU-ZDUSSCGKSA-N 1 0 316.351 4.319 20 30 DIEDRO CC(C)C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000599355644 1038274015 /nfs/dbraw/zinc/27/40/15/1038274015.db2.gz CVSYMNVZUIZNRA-SJORKVTESA-N 1 0 320.864 4.072 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000599504908 1038294854 /nfs/dbraw/zinc/29/48/54/1038294854.db2.gz HPWOPYAMHBRHIE-UHFFFAOYSA-N 1 0 318.436 4.389 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000093439460 1038299941 /nfs/dbraw/zinc/29/99/41/1038299941.db2.gz GMKYRNNVICJFNB-PXNSSMCTSA-N 1 0 310.441 4.300 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c(F)c1 ZINC000603855789 1038301733 /nfs/dbraw/zinc/30/17/33/1038301733.db2.gz QPWKJAALVDGRGZ-IBGZPJMESA-N 1 0 308.400 4.295 20 30 DIEDRO Cc1cc(Cl)ccc1C1=CCN(Cc2ccncc2C#N)CC1 ZINC000599620681 1038320186 /nfs/dbraw/zinc/32/01/86/1038320186.db2.gz ZSHMAFKFIDVVQI-UHFFFAOYSA-N 1 0 323.827 4.204 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC)cc1OC(F)F)c1ccccc1 ZINC000604065597 1038352975 /nfs/dbraw/zinc/35/29/75/1038352975.db2.gz JNLGZNPFJHMYBG-UHFFFAOYSA-N 1 0 319.351 4.100 20 30 DIEDRO Cc1cccc(C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C2CC2)c1 ZINC000610812800 1038356040 /nfs/dbraw/zinc/35/60/40/1038356040.db2.gz SAMHHGIBSOTNSH-FQEVSTJZSA-N 1 0 308.400 4.117 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000610812542 1038359212 /nfs/dbraw/zinc/35/92/12/1038359212.db2.gz KHNYDQYQLVGRNC-PKOBYXMFSA-N 1 0 312.363 4.262 20 30 DIEDRO CC(C)CCC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1 ZINC000610813452 1038360214 /nfs/dbraw/zinc/36/02/14/1038360214.db2.gz HSFFRNZSOSGUBG-FQEVSTJZSA-N 1 0 313.489 4.132 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(OC(F)F)c1 ZINC000538120536 1038361681 /nfs/dbraw/zinc/36/16/81/1038361681.db2.gz FONNHGTUZJWYHW-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000610829802 1038371851 /nfs/dbraw/zinc/37/18/51/1038371851.db2.gz MVABFNVJZFPEBY-GJZGRUSLSA-N 1 0 322.408 4.131 20 30 DIEDRO Cc1ccc(C[N@H+](Cc2cc(C#N)ccc2F)C(C)C)s1 ZINC000065161930 1038377230 /nfs/dbraw/zinc/37/72/30/1038377230.db2.gz QJOXIIMORHEVPH-UHFFFAOYSA-N 1 0 302.418 4.478 20 30 DIEDRO C[C@]1(F)CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000535840043 1038391819 /nfs/dbraw/zinc/39/18/19/1038391819.db2.gz SZUCJXZOFOWEBQ-FQEVSTJZSA-N 1 0 324.399 4.071 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000610947099 1038405692 /nfs/dbraw/zinc/40/56/92/1038405692.db2.gz NOXQBDWEQBSGOY-JSGCOSHPSA-N 1 0 314.326 4.156 20 30 DIEDRO COc1cccc(C[N@@H+](Cc2cccc(C#N)c2)CC(C)C)c1 ZINC000604494714 1038420931 /nfs/dbraw/zinc/42/09/31/1038420931.db2.gz YEFJGAWNYUQDEV-UHFFFAOYSA-N 1 0 308.425 4.225 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)ccn1 ZINC000610994670 1038425645 /nfs/dbraw/zinc/42/56/45/1038425645.db2.gz MJQONWHLZYMDCX-KUFMOJEASA-N 1 0 317.436 4.411 20 30 DIEDRO CCN(CCC[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000538397447 1038468779 /nfs/dbraw/zinc/46/87/79/1038468779.db2.gz GAOXIJLGCZXFGJ-QGZVFWFLSA-N 1 0 307.441 4.125 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCOC)c1ccc(C(F)(F)F)cc1 ZINC000342201895 1038473804 /nfs/dbraw/zinc/47/38/04/1038473804.db2.gz ZNYMCXUAVSXBEJ-OAHLLOKOSA-N 1 0 301.352 4.339 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000342217265 1038481778 /nfs/dbraw/zinc/48/17/78/1038481778.db2.gz FQVKKSYKIDXNQL-HOTGVXAUSA-N 1 0 313.363 4.481 20 30 DIEDRO C=CCCC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000605150867 1038494225 /nfs/dbraw/zinc/49/42/25/1038494225.db2.gz SUIYURJJHOTWSI-UHFFFAOYSA-N 1 0 301.409 4.046 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CCC)c1ncccc1Cl ZINC000926344059 1038500164 /nfs/dbraw/zinc/50/01/64/1038500164.db2.gz TZEYIDFYRQFSKL-UNEWFSDZSA-N 1 0 308.853 4.147 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC000605323177 1038507133 /nfs/dbraw/zinc/50/71/33/1038507133.db2.gz LFRVIPADVMESMG-PKOBYXMFSA-N 1 0 317.473 4.182 20 30 DIEDRO CCc1nc(C)c([C@@H](C)N(C)Cc2csc(C#N)c2)s1 ZINC000892101710 1038514411 /nfs/dbraw/zinc/51/44/11/1038514411.db2.gz BLWRSFBNILTKNE-LLVKDONJSA-N 1 0 305.472 4.140 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000342285772 1038517897 /nfs/dbraw/zinc/51/78/97/1038517897.db2.gz SHTLTJQGIIUOMN-UHFFFAOYSA-N 1 0 316.836 4.150 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000342293540 1038520285 /nfs/dbraw/zinc/52/02/85/1038520285.db2.gz GWRSARRXEQHTIJ-UHFFFAOYSA-N 1 0 318.314 4.144 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001167516324 1038542927 /nfs/dbraw/zinc/54/29/27/1038542927.db2.gz DRGFFEPEDCLOQO-OAQYLSRUSA-N 1 0 309.428 4.439 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000539244596 1038544598 /nfs/dbraw/zinc/54/45/98/1038544598.db2.gz ZGPXGDMQJXJULS-IBGZPJMESA-N 1 0 308.425 4.444 20 30 DIEDRO C=CCCC[N@@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000605740688 1038550343 /nfs/dbraw/zinc/55/03/43/1038550343.db2.gz NJXRMQNQDHOLNZ-UHFFFAOYSA-N 1 0 310.441 4.091 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)nc1 ZINC000593976721 1038600282 /nfs/dbraw/zinc/60/02/82/1038600282.db2.gz YJROPERSXLDGJC-HBMCJLEFSA-N 1 0 317.436 4.111 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2cccs2)nc1 ZINC000593977755 1038600679 /nfs/dbraw/zinc/60/06/79/1038600679.db2.gz VCXBCLSAWLNXBU-HJCTWCACSA-N 1 0 323.465 4.473 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000611587364 1038634230 /nfs/dbraw/zinc/63/42/30/1038634230.db2.gz BSIUEZINYMHVOS-HOCLYGCPSA-N 1 0 308.400 4.153 20 30 DIEDRO C=CCC[NH+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000606898050 1038638108 /nfs/dbraw/zinc/63/81/08/1038638108.db2.gz ZWMLBBMJOXEKDB-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CCc2cc3ccccc3o2)c1 ZINC000606913535 1038639200 /nfs/dbraw/zinc/63/92/00/1038639200.db2.gz SIPRIERFYYHIIC-UHFFFAOYSA-N 1 0 307.393 4.330 20 30 DIEDRO CC[N@H+](Cc1cccc2c[nH]nc21)[C@H](C)c1ccc(C#N)cc1 ZINC000119860137 1038681243 /nfs/dbraw/zinc/68/12/43/1038681243.db2.gz UTQXAVXFGTVYMW-CQSZACIVSA-N 1 0 304.397 4.018 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000049525880 1038687619 /nfs/dbraw/zinc/68/76/19/1038687619.db2.gz WGDIBSFJPOULTL-VIFPVBQESA-N 1 0 319.040 4.008 20 30 DIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCCC(C)(C)C#N ZINC000159152299 1038691663 /nfs/dbraw/zinc/69/16/63/1038691663.db2.gz QMWCVWSFHQFXEM-KRWDZBQOSA-N 1 0 323.868 4.202 20 30 DIEDRO C[C@@H]([NH2+]CCCc1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000479551354 1038719586 /nfs/dbraw/zinc/71/95/86/1038719586.db2.gz DNLPVWJDNKPTIY-CYBMUJFWSA-N 1 0 300.352 4.120 20 30 DIEDRO C[C@H](CCc1ccccc1)CN(CCC#N)Cc1cccnc1 ZINC000342682212 1038719772 /nfs/dbraw/zinc/71/97/72/1038719772.db2.gz WGVTVFLORABCEE-GOSISDBHSA-N 1 0 307.441 4.066 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000563417391 1038730327 /nfs/dbraw/zinc/73/03/27/1038730327.db2.gz LZXPFFTXEWODCC-JTQLQIEISA-N 1 0 303.269 4.303 20 30 DIEDRO CC(C)(C)c1ccccc1OCC[NH2+]Cc1cccc(C#N)c1 ZINC000609419972 1038757897 /nfs/dbraw/zinc/75/78/97/1038757897.db2.gz WBTACTFVRJLWDX-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1OC(C)C ZINC000075755668 1038759925 /nfs/dbraw/zinc/75/99/25/1038759925.db2.gz GWMRSHPXTVDOPO-HNNXBMFYSA-N 1 0 324.424 4.205 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000657528437 1038761880 /nfs/dbraw/zinc/76/18/80/1038761880.db2.gz ANKRWUJJAPHOQU-OALUTQOASA-N 1 0 309.457 4.156 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000657529242 1038763565 /nfs/dbraw/zinc/76/35/65/1038763565.db2.gz ADWRREQGIJYIKZ-PBHICJAKSA-N 1 0 313.470 4.430 20 30 DIEDRO CC1(C)Cc2occc2[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000342774347 1038768973 /nfs/dbraw/zinc/76/89/73/1038768973.db2.gz FDRPYRQPWCIUQO-QGZVFWFLSA-N 1 0 306.409 4.444 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Cl ZINC000661116231 1038838764 /nfs/dbraw/zinc/83/87/64/1038838764.db2.gz HYGBHIIPWUULGF-ZFWWWQNUSA-N 1 0 306.837 4.003 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000076397654 1038839212 /nfs/dbraw/zinc/83/92/12/1038839212.db2.gz BHTFPUFIMUHEMZ-GFCCVEGCSA-N 1 0 320.314 4.308 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncsc1Br ZINC000661116590 1038854373 /nfs/dbraw/zinc/85/43/73/1038854373.db2.gz YXLSADUQUCSZHR-GHMZBOCLSA-N 1 0 315.280 4.130 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cn(C)nc2-c2ccncc2)CCCC1 ZINC000657566847 1038855212 /nfs/dbraw/zinc/85/52/12/1038855212.db2.gz AZDXAEUJIYVKTI-UHFFFAOYSA-N 1 0 324.472 4.098 20 30 DIEDRO C=CCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000657583034 1038877109 /nfs/dbraw/zinc/87/71/09/1038877109.db2.gz UYGPQZJMJZRDRS-UHFFFAOYSA-N 1 0 308.834 4.041 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1C#N ZINC000174279983 1038914897 /nfs/dbraw/zinc/91/48/97/1038914897.db2.gz ITOKENPVFVTNRW-AWEZNQCLSA-N 1 0 320.392 4.472 20 30 DIEDRO CC1CCN(c2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000174372031 1038928603 /nfs/dbraw/zinc/92/86/03/1038928603.db2.gz QHLZMAMOSSYBCE-UHFFFAOYSA-N 1 0 313.489 4.342 20 30 DIEDRO COc1ccccc1CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000608833235 1038930424 /nfs/dbraw/zinc/93/04/24/1038930424.db2.gz DBMNKIOKOJPNRX-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cc1C#N ZINC000174348086 1038931474 /nfs/dbraw/zinc/93/14/74/1038931474.db2.gz WZNPLDUHPGMTAS-HXUWFJFHSA-N 1 0 324.399 4.337 20 30 DIEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC001167619450 1038938935 /nfs/dbraw/zinc/93/89/35/1038938935.db2.gz LRNNDLIIDDJPRR-DOTOQJQBSA-N 1 0 308.400 4.150 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)Cc2cccs2)cc1 ZINC000174534008 1038948716 /nfs/dbraw/zinc/94/87/16/1038948716.db2.gz CZUBZIJDDNNGSI-GJZGRUSLSA-N 1 0 314.454 4.007 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)Cc2cccs2)cc1 ZINC000174534033 1038949602 /nfs/dbraw/zinc/94/96/02/1038949602.db2.gz CZUBZIJDDNNGSI-LSDHHAIUSA-N 1 0 314.454 4.007 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@]2(C)CC2(F)F)cc1Cl ZINC000657666504 1038972500 /nfs/dbraw/zinc/97/25/00/1038972500.db2.gz SZDIPLVNYFJMRH-AWEZNQCLSA-N 1 0 301.764 4.040 20 30 DIEDRO COc1cccc(C2CC[NH+](CC3CCC(C#N)CC3)CC2)c1 ZINC000929422322 1038975699 /nfs/dbraw/zinc/97/56/99/1038975699.db2.gz YQOZDRCRQMCZMI-UHFFFAOYSA-N 1 0 312.457 4.205 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728530073 1038985665 /nfs/dbraw/zinc/98/56/65/1038985665.db2.gz CNIKHWFVOAEGPQ-LJQANCHMSA-N 1 0 322.537 4.462 20 30 DIEDRO CC(C)C1=[NH+]CCc2ccc(NCc3ccccc3C#N)cc21 ZINC001167633515 1039012207 /nfs/dbraw/zinc/01/22/07/1039012207.db2.gz KJGFJILYLPJWTF-UHFFFAOYSA-N 1 0 303.409 4.172 20 30 DIEDRO N#Cc1ccccc1CNc1cc(OCc2ccccc2)cc[nH+]1 ZINC001167634703 1039017591 /nfs/dbraw/zinc/01/75/91/1039017591.db2.gz YOHIRAPAEQEUNL-UHFFFAOYSA-N 1 0 315.376 4.144 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001167640426 1039039636 /nfs/dbraw/zinc/03/96/36/1039039636.db2.gz ASHRQTVZFAVFRJ-GOSISDBHSA-N 1 0 316.489 4.099 20 30 DIEDRO N#CCc1ccc(C[NH+]2CCC(Cc3ccccc3F)CC2)cc1 ZINC001167653856 1039148463 /nfs/dbraw/zinc/14/84/63/1039148463.db2.gz SVJSADOCQROZKH-UHFFFAOYSA-N 1 0 322.427 4.346 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(N2CCCC2)c1 ZINC000178795111 1039170469 /nfs/dbraw/zinc/17/04/69/1039170469.db2.gz PJYUYLGMSKGGCP-HNNXBMFYSA-N 1 0 323.415 4.148 20 30 DIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000218862287 1039180929 /nfs/dbraw/zinc/18/09/29/1039180929.db2.gz KHQWPYLNSXATNS-SJORKVTESA-N 1 0 324.468 4.304 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000154839237 1039218441 /nfs/dbraw/zinc/21/84/41/1039218441.db2.gz NTXJSBKDAAQHIY-UHFFFAOYSA-N 1 0 320.440 4.200 20 30 DIEDRO Cc1ccc(C[N@H+](CCc2ccccc2)CC2(C#N)CC2)s1 ZINC000539461715 1039266300 /nfs/dbraw/zinc/26/63/00/1039266300.db2.gz SKMTUTWNRYWSIY-UHFFFAOYSA-N 1 0 310.466 4.405 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000150882687 1039266743 /nfs/dbraw/zinc/26/67/43/1039266743.db2.gz BMKBXHVSXAHUMN-KRWDZBQOSA-N 1 0 302.462 4.309 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](C)Oc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000539508417 1039279395 /nfs/dbraw/zinc/27/93/95/1039279395.db2.gz XKSCBQNDLNNXPD-UONOGXRCSA-N 1 0 314.816 4.330 20 30 DIEDRO CC[C@H](CSc1ccc(C)c(C)c1)[NH2+]Cc1ccc(C#N)o1 ZINC000539527967 1039284342 /nfs/dbraw/zinc/28/43/42/1039284342.db2.gz FEEVLRUXGVCZDE-OAHLLOKOSA-N 1 0 314.454 4.429 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccsc2)cc(OC)c1O ZINC000669831199 1039292276 /nfs/dbraw/zinc/29/22/76/1039292276.db2.gz XDZJFICCNGEPNO-GFCCVEGCSA-N 1 0 303.427 4.042 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000539610097 1039297583 /nfs/dbraw/zinc/29/75/83/1039297583.db2.gz PUAGUQJPERWVOS-GXTWGEPZSA-N 1 0 300.377 4.271 20 30 DIEDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000539607595 1039298227 /nfs/dbraw/zinc/29/82/27/1039298227.db2.gz SMWBVKFFGSKIAZ-VLIAUNLRSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539609094 1039298592 /nfs/dbraw/zinc/29/85/92/1039298592.db2.gz DQESXBSBIHRNCH-CYBMUJFWSA-N 1 0 312.363 4.219 20 30 DIEDRO CC(C)(O)C#Cc1cccc(Nc2cc[nH+]c(C(C)(C)C)c2)c1 ZINC001213168683 1039302803 /nfs/dbraw/zinc/30/28/03/1039302803.db2.gz OURQBKMHHNGQGB-UHFFFAOYSA-N 1 0 308.425 4.245 20 30 DIEDRO COc1ccc(C2([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)cc1 ZINC000539624178 1039303434 /nfs/dbraw/zinc/30/34/34/1039303434.db2.gz HOFUJCCORYXZOP-ZDUSSCGKSA-N 1 0 310.372 4.046 20 30 DIEDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1)N(C)C ZINC000443213155 1039332719 /nfs/dbraw/zinc/33/27/19/1039332719.db2.gz GJHFWQRFSXQONE-LZJOCLMNSA-N 1 0 321.468 4.209 20 30 DIEDRO Cc1c(C)c(C[N@@H+]2CCC[C@@H](C#N)CC2)ccc1Br ZINC001233222326 1039335706 /nfs/dbraw/zinc/33/57/06/1039335706.db2.gz OWUMMNNTWSEFOI-CQSZACIVSA-N 1 0 321.262 4.192 20 30 DIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc2cnccc2o1 ZINC000595048049 1039339692 /nfs/dbraw/zinc/33/96/92/1039339692.db2.gz UYVMYAAFFWFFJO-AWEZNQCLSA-N 1 0 317.392 4.429 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc2cnccc2o1 ZINC000595043079 1039341260 /nfs/dbraw/zinc/34/12/60/1039341260.db2.gz FWJQIRVVQUDDKZ-UGSOOPFHSA-N 1 0 317.392 4.428 20 30 DIEDRO C[C@@H](C#N)C[N@H+](C[C@H](C)c1cccc(Br)c1)C1CC1 ZINC000539825467 1039345831 /nfs/dbraw/zinc/34/58/31/1039345831.db2.gz TZZLYFJATVEELZ-STQMWFEESA-N 1 0 321.262 4.177 20 30 DIEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]Cc3ccc(C#N)o3)cc2)cs1 ZINC000343257707 1039350531 /nfs/dbraw/zinc/35/05/31/1039350531.db2.gz GFUMRXGVSDJOBU-GFCCVEGCSA-N 1 0 323.421 4.434 20 30 DIEDRO C[C@@H](CCc1ccccc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583528635 1039362878 /nfs/dbraw/zinc/36/28/78/1039362878.db2.gz DYVADBTUNWPDJK-SFHVURJKSA-N 1 0 322.452 4.028 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2cnc(-c3ccsc3)s2)c1 ZINC000343277437 1039367333 /nfs/dbraw/zinc/36/73/33/1039367333.db2.gz WIQQMQSZSYPTRM-UHFFFAOYSA-N 1 0 311.435 4.033 20 30 DIEDRO CCCOc1ccc2c(c1)CC[N@@H+](CC(C)(C)CCC#N)C2 ZINC000539912175 1039391556 /nfs/dbraw/zinc/39/15/56/1039391556.db2.gz MPHSWNRCKSXPKB-UHFFFAOYSA-N 1 0 300.446 4.163 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)C1CC1 ZINC000245926595 1039401415 /nfs/dbraw/zinc/40/14/15/1039401415.db2.gz HZZLBGZNUITMKP-AOIWGVFYSA-N 1 0 318.530 4.465 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000566624237 1039402905 /nfs/dbraw/zinc/40/29/05/1039402905.db2.gz PNLOWVJCETUCBY-XJKSGUPXSA-N 1 0 308.347 4.342 20 30 DIEDRO C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000583681950 1039424882 /nfs/dbraw/zinc/42/48/82/1039424882.db2.gz FPMTVSSVYRPLTB-LJQANCHMSA-N 1 0 321.424 4.119 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)c2cccs2)cc1 ZINC000157818327 1039475492 /nfs/dbraw/zinc/47/54/92/1039475492.db2.gz NCIHMRMGPWLZEX-KGLIPLIRSA-N 1 0 300.427 4.232 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000540341727 1039480907 /nfs/dbraw/zinc/48/09/07/1039480907.db2.gz SETROJHKAUREPL-LJQANCHMSA-N 1 0 308.425 4.444 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000540396127 1039489375 /nfs/dbraw/zinc/48/93/75/1039489375.db2.gz BCCFFLCGIQDDOT-FOIQADDNSA-N 1 0 313.441 4.074 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1cccc(C#N)c1 ZINC000540594333 1039519465 /nfs/dbraw/zinc/51/94/65/1039519465.db2.gz RCUPJTDVNHLCSL-KUHUBIRLSA-N 1 0 308.450 4.239 20 30 DIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000540608486 1039527239 /nfs/dbraw/zinc/52/72/39/1039527239.db2.gz JOMZGCOCAXSSCC-TYILLQQXSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)Oc1cccc(Cl)c1 ZINC000540609256 1039528587 /nfs/dbraw/zinc/52/85/87/1039528587.db2.gz PALOAMIPOJCZNI-KGLIPLIRSA-N 1 0 314.816 4.330 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000540606778 1039528731 /nfs/dbraw/zinc/52/87/31/1039528731.db2.gz PAWIQAMBTKISIM-CJXDPKRBSA-N 1 0 306.409 4.162 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000540608294 1039528820 /nfs/dbraw/zinc/52/88/20/1039528820.db2.gz RCSTWFMNRZUZLX-KGLIPLIRSA-N 1 0 300.446 4.312 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000540663880 1039540769 /nfs/dbraw/zinc/54/07/69/1039540769.db2.gz PEXQXVLCCKSPBP-ZDUSSCGKSA-N 1 0 315.392 4.086 20 30 DIEDRO CCN(CCC(C)(C)C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000540667675 1039541072 /nfs/dbraw/zinc/54/10/72/1039541072.db2.gz HCGZRCOLDDKVDP-MJGOQNOKSA-N 1 0 313.489 4.084 20 30 DIEDRO C[C@@H]([NH2+]CCCOC1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000540702540 1039545092 /nfs/dbraw/zinc/54/50/92/1039545092.db2.gz WBVZFESQBDOJJI-CQSZACIVSA-N 1 0 304.409 4.087 20 30 DIEDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540708473 1039545163 /nfs/dbraw/zinc/54/51/63/1039545163.db2.gz WWKKIHTUZMLZFT-LSDHHAIUSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(OCc2cccnc2)cc1 ZINC000540712229 1039553278 /nfs/dbraw/zinc/55/32/78/1039553278.db2.gz LAVFDOASNIPRBP-MRXNPFEDSA-N 1 0 323.440 4.251 20 30 DIEDRO C=CCC1(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CCC1 ZINC000685268984 1039610884 /nfs/dbraw/zinc/61/08/84/1039610884.db2.gz FJFBMEQZGNJZHX-UHFFFAOYSA-N 1 0 323.440 4.330 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)cc1F ZINC000278639208 1039612420 /nfs/dbraw/zinc/61/24/20/1039612420.db2.gz HJOQLXGTDOUFKF-SFHVURJKSA-N 1 0 312.388 4.337 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(OC)c2)CC1)c1ccc(C#N)cc1 ZINC000278641731 1039615410 /nfs/dbraw/zinc/61/54/10/1039615410.db2.gz HNAGMEBOSADIGS-IBGZPJMESA-N 1 0 306.409 4.297 20 30 DIEDRO CCOc1cc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)ccc1OC ZINC000278649516 1039620346 /nfs/dbraw/zinc/62/03/46/1039620346.db2.gz HZOVNQDCABUHLS-SFHVURJKSA-N 1 0 324.424 4.206 20 30 DIEDRO CC[C@H](NC1(c2nc(C)cs2)CCC1)c1ccc(C#N)cc1 ZINC000278693761 1039652007 /nfs/dbraw/zinc/65/20/07/1039652007.db2.gz KOYAAYYEAJUZJY-INIZCTEOSA-N 1 0 311.454 4.443 20 30 DIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(CC#N)cc1 ZINC000541271702 1039654496 /nfs/dbraw/zinc/65/44/96/1039654496.db2.gz AYBZLPMWLNXXOJ-UHFFFAOYSA-N 1 0 317.436 4.283 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000541282729 1039658628 /nfs/dbraw/zinc/65/86/28/1039658628.db2.gz RSTSTQQKEZJQNX-NRFANRHFSA-N 1 0 304.437 4.350 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC000541320517 1039666125 /nfs/dbraw/zinc/66/61/25/1039666125.db2.gz YHNURPORSYBZAD-MGPUTAFESA-N 1 0 306.409 4.150 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)C(CC)CC)CC1 ZINC000657847426 1039699508 /nfs/dbraw/zinc/69/95/08/1039699508.db2.gz WGMUGPMZSQEPQO-IEBWSBKVSA-N 1 0 320.521 4.138 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C ZINC000541555305 1039702739 /nfs/dbraw/zinc/70/27/39/1039702739.db2.gz WCYMYOPROYZAHG-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO C=CCOc1ccccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541553305 1039703368 /nfs/dbraw/zinc/70/33/68/1039703368.db2.gz GZVXNAZEWRAUCA-UHFFFAOYSA-N 1 0 318.420 4.288 20 30 DIEDRO N#CCCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000541569714 1039707881 /nfs/dbraw/zinc/70/78/81/1039707881.db2.gz MAXRUISSCSNUQX-KRWDZBQOSA-N 1 0 302.780 4.462 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000541596815 1039709979 /nfs/dbraw/zinc/70/99/79/1039709979.db2.gz FLMPYLBQQBAIGZ-QZTJIDSGSA-N 1 0 315.482 4.257 20 30 DIEDRO N#CCCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000609140499 1039749321 /nfs/dbraw/zinc/74/93/21/1039749321.db2.gz TWQODEDTWSONAJ-UHFFFAOYSA-N 1 0 317.436 4.473 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)Cc1cc(-c2ccccc2)no1 ZINC000491331729 1039777281 /nfs/dbraw/zinc/77/72/81/1039777281.db2.gz ZEHLRPUFMRVESU-UHFFFAOYSA-N 1 0 308.381 4.165 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000271757114 1039805566 /nfs/dbraw/zinc/80/55/66/1039805566.db2.gz HBWYUMKTKVLEDI-UHFFFAOYSA-N 1 0 316.326 4.356 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)[C@H]2CCCC[C@H]12 ZINC000542184561 1039809931 /nfs/dbraw/zinc/80/99/31/1039809931.db2.gz CMCORCHOIWSIEC-AHRSYUTCSA-N 1 0 312.457 4.380 20 30 DIEDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)CC2 ZINC000090665663 1039810498 /nfs/dbraw/zinc/81/04/98/1039810498.db2.gz WCBDGUMPLXKJKU-TZIWHRDSSA-N 1 0 320.436 4.187 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(COCC)cc2)cc1 ZINC000151623408 1039843902 /nfs/dbraw/zinc/84/39/02/1039843902.db2.gz PMSDKAQJYBNKHT-QGZVFWFLSA-N 1 0 323.436 4.086 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271904067 1039880775 /nfs/dbraw/zinc/88/07/75/1039880775.db2.gz WFUKWKYGMWBAML-IFXJQAMLSA-N 1 0 306.409 4.295 20 30 DIEDRO N#Cc1ccc(CNCc2ccc(-c3ccccc3)cc2F)o1 ZINC000492259175 1039938281 /nfs/dbraw/zinc/93/82/81/1039938281.db2.gz OKHKYMUOBMRVIG-UHFFFAOYSA-N 1 0 306.340 4.247 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cccnc1 ZINC000271982058 1039945003 /nfs/dbraw/zinc/94/50/03/1039945003.db2.gz XCWFNBQAYUSJJV-KDOFPFPSSA-N 1 0 311.404 4.183 20 30 DIEDRO Cc1csc(C2(N[C@H](C)c3ccc(C#N)c(F)c3)CCC2)n1 ZINC000271984206 1039948512 /nfs/dbraw/zinc/94/85/12/1039948512.db2.gz PRDPZKZXSLWMQW-GFCCVEGCSA-N 1 0 315.417 4.192 20 30 DIEDRO Cc1cc(C[NH2+][C@H](c2ccccc2)c2ccncc2)ccc1C#N ZINC000443959413 1039976735 /nfs/dbraw/zinc/97/67/35/1039976735.db2.gz FFPAHDQSZVJABZ-OAQYLSRUSA-N 1 0 313.404 4.141 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000480502945 1039982434 /nfs/dbraw/zinc/98/24/34/1039982434.db2.gz XBCWWJFJQKALRR-UHFFFAOYSA-N 1 0 324.811 4.207 20 30 DIEDRO COc1ccc2cc(C[NH2+]Cc3ccc(C#N)c(C)c3)ccc2c1 ZINC000443968700 1039985071 /nfs/dbraw/zinc/98/50/71/1039985071.db2.gz OEIILYWXAKUSSF-UHFFFAOYSA-N 1 0 316.404 4.318 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000492635143 1039988592 /nfs/dbraw/zinc/98/85/92/1039988592.db2.gz YFILQPWWVHXGHH-XJKSGUPXSA-N 1 0 319.246 4.085 20 30 DIEDRO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1C#N ZINC000443981477 1039993282 /nfs/dbraw/zinc/99/32/82/1039993282.db2.gz AUPUENDIMMBGKV-HOTGVXAUSA-N 1 0 310.363 4.325 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1ccc(C#N)c(C)c1 ZINC000443998691 1040013881 /nfs/dbraw/zinc/01/38/81/1040013881.db2.gz QWFWKFIDDXAZHQ-UHFFFAOYSA-N 1 0 319.452 4.383 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000657889006 1040035401 /nfs/dbraw/zinc/03/54/01/1040035401.db2.gz OZOMJBNBNDEHQH-GHMZBOCLSA-N 1 0 304.381 4.386 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000179201188 1040057200 /nfs/dbraw/zinc/05/72/00/1040057200.db2.gz GCKRHECRTFBAGC-OAHLLOKOSA-N 1 0 319.408 4.022 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2cccs2)ccn1 ZINC000611941638 1040101337 /nfs/dbraw/zinc/10/13/37/1040101337.db2.gz BBFXCJQJUFGGMH-LKGOPFMKSA-N 1 0 323.465 4.473 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000658060951 1040284240 /nfs/dbraw/zinc/28/42/40/1040284240.db2.gz QZTJLMJIYOSCEI-OWSLCNJRSA-N 1 0 301.478 4.171 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000658062388 1040285579 /nfs/dbraw/zinc/28/55/79/1040285579.db2.gz ZILAPCCNFIITTF-SZVBFZGTSA-N 1 0 314.473 4.174 20 30 DIEDRO C=CCCC1(C[NH2+]C2CCN(c3ccccn3)CC2)CCCC1 ZINC000658096785 1040303132 /nfs/dbraw/zinc/30/31/32/1040303132.db2.gz VUNMKWLJJOVUOS-UHFFFAOYSA-N 1 0 313.489 4.167 20 30 DIEDRO C=CCC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000658116064 1040307279 /nfs/dbraw/zinc/30/72/79/1040307279.db2.gz GLKMAINHPFHVHG-ZBFHGGJFSA-N 1 0 307.409 4.000 20 30 DIEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000658116060 1040308658 /nfs/dbraw/zinc/30/86/58/1040308658.db2.gz GLKMAINHPFHVHG-HOCLYGCPSA-N 1 0 307.409 4.000 20 30 DIEDRO C=CCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000658115847 1040308923 /nfs/dbraw/zinc/30/89/23/1040308923.db2.gz FBMISSCBSRNSPP-SECBINFHSA-N 1 0 307.287 4.116 20 30 DIEDRO CCC[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(OC)cc1 ZINC000612065863 1040325554 /nfs/dbraw/zinc/32/55/54/1040325554.db2.gz PCIQBVQLSMQDMM-UHFFFAOYSA-N 1 0 308.425 4.173 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(CC#N)cc1)CC3 ZINC000612098728 1040343124 /nfs/dbraw/zinc/34/31/24/1040343124.db2.gz CYDZMPUYWRAINI-UHFFFAOYSA-N 1 0 315.420 4.101 20 30 DIEDRO CCCn1nc(C)c(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000179463137 1040461100 /nfs/dbraw/zinc/46/11/00/1040461100.db2.gz NXEGGJGCAWWIOL-INIZCTEOSA-N 1 0 324.472 4.365 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)cs1)[C@@H](C)c1cccc(OC)c1 ZINC000179470632 1040464029 /nfs/dbraw/zinc/46/40/29/1040464029.db2.gz BREHIPKPKDHBDX-ZDUSSCGKSA-N 1 0 300.427 4.211 20 30 DIEDRO CCOc1cccc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1O ZINC000179463590 1040465664 /nfs/dbraw/zinc/46/56/64/1040465664.db2.gz WVULQZXMCBUFPC-OAHLLOKOSA-N 1 0 324.424 4.246 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000612204146 1040500521 /nfs/dbraw/zinc/50/05/21/1040500521.db2.gz JNPHKPOWNUZMLO-CQSZACIVSA-N 1 0 310.372 4.113 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000179736136 1040525600 /nfs/dbraw/zinc/52/56/00/1040525600.db2.gz NXMFXNNVGKIBCE-GOSISDBHSA-N 1 0 312.388 4.337 20 30 DIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cc(C#N)ccc1OC ZINC000179736762 1040526313 /nfs/dbraw/zinc/52/63/13/1040526313.db2.gz HKDVOJLYZPHEPR-GOSISDBHSA-N 1 0 324.424 4.206 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278789616 1040551376 /nfs/dbraw/zinc/55/13/76/1040551376.db2.gz QHJDYEKTQTZHHZ-RYGJVYDSSA-N 1 0 308.425 4.111 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)c(F)c1 ZINC000612401332 1040583072 /nfs/dbraw/zinc/58/30/72/1040583072.db2.gz BOYDXSPMEZKIEN-UHFFFAOYSA-N 1 0 314.791 4.387 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCNc1ccccc1F ZINC000612422720 1040589648 /nfs/dbraw/zinc/58/96/48/1040589648.db2.gz KNGULYVAMJWNLB-IBGZPJMESA-N 1 0 323.415 4.167 20 30 DIEDRO Cn1cc(C[N@H+](C)C2CCCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179893462 1040609970 /nfs/dbraw/zinc/60/99/70/1040609970.db2.gz UMAWZMCXOPPCSX-UHFFFAOYSA-N 1 0 322.456 4.113 20 30 DIEDRO CC[C@H](C)[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000572751572 1040665857 /nfs/dbraw/zinc/66/58/57/1040665857.db2.gz MZVYFZZRFZNSAG-GRDNDAEWSA-N 1 0 303.837 4.460 20 30 DIEDRO CCc1ccc(C[N@H+](C)Cc2cc(F)c(C#N)c(F)c2)cc1 ZINC001140754967 1040668154 /nfs/dbraw/zinc/66/81/54/1040668154.db2.gz QMWJGEJICCJAJY-UHFFFAOYSA-N 1 0 300.352 4.031 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)cc1 ZINC000177582667 1040713169 /nfs/dbraw/zinc/71/31/69/1040713169.db2.gz MBOOEYSTJXJWMD-BRWVUGGUSA-N 1 0 308.425 4.259 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000661379020 1040775462 /nfs/dbraw/zinc/77/54/62/1040775462.db2.gz QRORRJZFBMMAHL-QWHCGFSZSA-N 1 0 303.431 4.147 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(C#N)cc1Cl ZINC000580028490 1040782023 /nfs/dbraw/zinc/78/20/23/1040782023.db2.gz GNXLFBXXIWBXMC-NSHDSACASA-N 1 0 320.770 4.383 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000613254763 1040843910 /nfs/dbraw/zinc/84/39/10/1040843910.db2.gz YDGWREZTYSKJQO-WFASDCNBSA-N 1 0 301.821 4.036 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000613255232 1040844871 /nfs/dbraw/zinc/84/48/71/1040844871.db2.gz KNMPNKASWUNUQA-NBHGPNQESA-N 1 0 320.436 4.457 20 30 DIEDRO C[C@H](c1ccco1)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581222599 1040846202 /nfs/dbraw/zinc/84/62/02/1040846202.db2.gz FHFMITFXJGYNMQ-LLVKDONJSA-N 1 0 308.303 4.363 20 30 DIEDRO CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000581853849 1040894948 /nfs/dbraw/zinc/89/49/48/1040894948.db2.gz YWCJEUXSFURRBN-CRAIPNDOSA-N 1 0 311.454 4.064 20 30 DIEDRO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000581853852 1040895242 /nfs/dbraw/zinc/89/52/42/1040895242.db2.gz YWCJEUXSFURRBN-YJBOKZPZSA-N 1 0 311.454 4.064 20 30 DIEDRO CC[N@H+](CCCc1cnccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000582267786 1040914163 /nfs/dbraw/zinc/91/41/63/1040914163.db2.gz KNHJXDZTUKAWPA-QGZVFWFLSA-N 1 0 307.441 4.277 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000414142757 1040920562 /nfs/dbraw/zinc/92/05/62/1040920562.db2.gz JDLSOTKZBKJRJO-CABCVRRESA-N 1 0 311.404 4.154 20 30 DIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000414160170 1040936319 /nfs/dbraw/zinc/93/63/19/1040936319.db2.gz XLLYGGDLNBLNSQ-UONOGXRCSA-N 1 0 312.388 4.426 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(Br)cc1F ZINC000414162507 1040941189 /nfs/dbraw/zinc/94/11/89/1040941189.db2.gz HGEUQQLAAYUFSY-JTQLQIEISA-N 1 0 313.214 4.179 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1OC(F)(F)F ZINC000414160718 1040944171 /nfs/dbraw/zinc/94/41/71/1040944171.db2.gz DKMJTZZOYNEMPU-NSHDSACASA-N 1 0 300.324 4.176 20 30 DIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)CC(F)(F)F ZINC000414271342 1041065755 /nfs/dbraw/zinc/06/57/55/1041065755.db2.gz WJXPBKJAVQJCSO-QWRGUYRKSA-N 1 0 302.315 4.327 20 30 DIEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C3CCCCC3)c2)CC1 ZINC001131545278 1041072156 /nfs/dbraw/zinc/07/21/56/1041072156.db2.gz GAYGGUCALKDLAV-UHFFFAOYSA-N 1 0 324.468 4.018 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414294158 1041088150 /nfs/dbraw/zinc/08/81/50/1041088150.db2.gz DHWPOMHOOYECNK-IEBWSBKVSA-N 1 0 311.473 4.172 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC)Cc2ccccn2)cc1Cl ZINC000539831009 1041161194 /nfs/dbraw/zinc/16/11/94/1041161194.db2.gz GBRQZHPZKBUOCB-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCSCC2)cc1 ZINC000180508445 1041163499 /nfs/dbraw/zinc/16/34/99/1041163499.db2.gz ZKXDESMYFDQALF-ZDUSSCGKSA-N 1 0 311.878 4.364 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)cc1 ZINC000809612558 1041194107 /nfs/dbraw/zinc/19/41/07/1041194107.db2.gz QSLADCXXDMBCHK-UHFFFAOYSA-N 1 0 320.436 4.064 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000809611107 1041194524 /nfs/dbraw/zinc/19/45/24/1041194524.db2.gz RCJQSJXUXBJTJI-LJQANCHMSA-N 1 0 303.409 4.031 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H](C)CC(C)C)ccc1OC ZINC000809619865 1041196479 /nfs/dbraw/zinc/19/64/79/1041196479.db2.gz ZVLIKJLKYIVBJB-NVXWUHKLSA-N 1 0 318.461 4.148 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000809594483 1041197028 /nfs/dbraw/zinc/19/70/28/1041197028.db2.gz XNXXDDWIKJFEJH-PMACEKPBSA-N 1 0 323.436 4.129 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000809617376 1041197051 /nfs/dbraw/zinc/19/70/51/1041197051.db2.gz PAKOJCHJJLKUIF-UHFFFAOYSA-N 1 0 318.464 4.194 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H](C)CC(C)C)ccc1OC ZINC000809619864 1041197709 /nfs/dbraw/zinc/19/77/09/1041197709.db2.gz ZVLIKJLKYIVBJB-DOTOQJQBSA-N 1 0 318.461 4.148 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](CCCCOC)c2ccccc2)cc1 ZINC000809656567 1041211544 /nfs/dbraw/zinc/21/15/44/1041211544.db2.gz FXRUPIDBSGSSFI-NRFANRHFSA-N 1 0 307.437 4.316 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)CC1(OC)CCC1)c1ccc(Cl)cc1F ZINC000809699875 1041217543 /nfs/dbraw/zinc/21/75/43/1041217543.db2.gz UBWJJDYFRNHUQN-MLGOLLRUSA-N 1 0 309.812 4.091 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)C1CCSCC1)c1ccc(Cl)cc1F ZINC000809699543 1041219364 /nfs/dbraw/zinc/21/93/64/1041219364.db2.gz POWALLXMGACZAR-ZBEGNZNMSA-N 1 0 311.853 4.275 20 30 DIEDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000613540396 1041235029 /nfs/dbraw/zinc/23/50/29/1041235029.db2.gz UQBCBCWJXVZTHZ-JFDDCEBESA-N 1 0 300.446 4.102 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](CC)[C@H](C)c2cccnc2)cc1 ZINC000809766111 1041249392 /nfs/dbraw/zinc/24/93/92/1041249392.db2.gz VCRPONVEYDXRPK-QGZVFWFLSA-N 1 0 308.425 4.067 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C)C(C)(C)C ZINC000809781684 1041253083 /nfs/dbraw/zinc/25/30/83/1041253083.db2.gz XOKGINIPGJHWAK-XJKSGUPXSA-N 1 0 320.864 4.003 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1cccc(OC)c1OC ZINC000926794859 1041266227 /nfs/dbraw/zinc/26/62/27/1041266227.db2.gz NNBWDVKJNVAKOI-ZFWWWQNUSA-N 1 0 304.434 4.073 20 30 DIEDRO C=CCCCCCCC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000810160569 1041328663 /nfs/dbraw/zinc/32/86/63/1041328663.db2.gz LQXDEFFSIYDTMJ-UHFFFAOYSA-N 1 0 318.461 4.000 20 30 DIEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccc(C(F)(F)F)cc1O ZINC000810216167 1041337734 /nfs/dbraw/zinc/33/77/34/1041337734.db2.gz ROAHIURJLUQQBQ-CYBMUJFWSA-N 1 0 300.324 4.146 20 30 DIEDRO C=CCCOCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810229207 1041343488 /nfs/dbraw/zinc/34/34/88/1041343488.db2.gz UTAYCLWUJLHZSY-CQSZACIVSA-N 1 0 317.351 4.044 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810229205 1041343512 /nfs/dbraw/zinc/34/35/12/1041343512.db2.gz UTAYCLWUJLHZSY-AWEZNQCLSA-N 1 0 317.351 4.044 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCSCc1ccccc1)CC2 ZINC000810208703 1041347764 /nfs/dbraw/zinc/34/77/64/1041347764.db2.gz ZFRLTBMMXWSXBI-IBGZPJMESA-N 1 0 308.450 4.069 20 30 DIEDRO CCOCOc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000782965073 1041357137 /nfs/dbraw/zinc/35/71/37/1041357137.db2.gz VSKYPGSLNVHGAX-HXUWFJFHSA-N 1 0 324.424 4.194 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000924599496 1041383456 /nfs/dbraw/zinc/38/34/56/1041383456.db2.gz HLRCWWYTOQNDIB-KBPBESRZSA-N 1 0 313.445 4.014 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290268203 1041404540 /nfs/dbraw/zinc/40/45/40/1041404540.db2.gz XOZZMPZRSBXWPY-PHIMTYICSA-N 1 0 302.365 4.173 20 30 DIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000747619892 1041413017 /nfs/dbraw/zinc/41/30/17/1041413017.db2.gz OLSQDLAPTYUPGL-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000613667781 1041420683 /nfs/dbraw/zinc/42/06/83/1041420683.db2.gz REUWRNNBOGUGEX-ZAAXVRCTSA-N 1 0 306.409 4.066 20 30 DIEDRO C=CCCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000117874367 1041426884 /nfs/dbraw/zinc/42/68/84/1041426884.db2.gz ZODQVZZAMCFUNC-UHFFFAOYSA-N 1 0 324.262 4.011 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)ccc1OC(C)C ZINC000924611676 1041428893 /nfs/dbraw/zinc/42/88/93/1041428893.db2.gz CJYQGNDNQFJDDL-LSDHHAIUSA-N 1 0 318.461 4.461 20 30 DIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000541153184 1041433418 /nfs/dbraw/zinc/43/34/18/1041433418.db2.gz GKWVCVVBGINCLL-HUUCEWRRSA-N 1 0 318.424 4.106 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(OCC#N)cc1 ZINC000053147937 1041442981 /nfs/dbraw/zinc/44/29/81/1041442981.db2.gz RFBMMNVGMANVKV-ZDUSSCGKSA-N 1 0 300.789 4.093 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415578436 1041466665 /nfs/dbraw/zinc/46/66/65/1041466665.db2.gz IQBGVRDHSNEBJZ-OAHLLOKOSA-N 1 0 317.477 4.178 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000728711529 1041473295 /nfs/dbraw/zinc/47/32/95/1041473295.db2.gz DAGXEGQUQWVJSA-SJLPKXTDSA-N 1 0 308.425 4.261 20 30 DIEDRO CC(C)c1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728711520 1041473575 /nfs/dbraw/zinc/47/35/75/1041473575.db2.gz CFXDNGZXNSMIFS-INIZCTEOSA-N 1 0 308.425 4.391 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)c2ccccc2)cc1 ZINC000728711933 1041478635 /nfs/dbraw/zinc/47/86/35/1041478635.db2.gz OXKONJZVXZNFFM-IRXDYDNUSA-N 1 0 308.425 4.261 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000728713015 1041478866 /nfs/dbraw/zinc/47/88/66/1041478866.db2.gz IIQZPUOXVDRHRU-ACJLOTCBSA-N 1 0 312.438 4.280 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)C2CCCCC2)cc1 ZINC000728711678 1041478971 /nfs/dbraw/zinc/47/89/71/1041478971.db2.gz GPDHZXOTFLEJDH-CVEARBPZSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)c2ccccc2)cc1 ZINC000728711931 1041479020 /nfs/dbraw/zinc/47/90/20/1041479020.db2.gz OXKONJZVXZNFFM-DLBZAZTESA-N 1 0 308.425 4.261 20 30 DIEDRO CC(C)c1ccc(CC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728712944 1041479146 /nfs/dbraw/zinc/47/91/46/1041479146.db2.gz FYHPSSMNONINSP-KRWDZBQOSA-N 1 0 322.452 4.433 20 30 DIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728714843 1041480980 /nfs/dbraw/zinc/48/09/80/1041480980.db2.gz ATDMFSLAUGDUEX-SUMDDJOVSA-N 1 0 300.446 4.426 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000728712886 1041481043 /nfs/dbraw/zinc/48/10/43/1041481043.db2.gz BYBYBMXPADTMBX-OQIJWPOYSA-N 1 0 312.457 4.426 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccc(Cl)cc1 ZINC000811516356 1041534059 /nfs/dbraw/zinc/53/40/59/1041534059.db2.gz MBWYVFTZIAFBTL-LXPRWKDFSA-N 1 0 303.833 4.096 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001170637804 1041538648 /nfs/dbraw/zinc/53/86/48/1041538648.db2.gz CXDDQXWRARFMAZ-WWMYMODYSA-N 1 0 320.436 4.355 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2cnn(C(C)C)c21)c1ccc(C#N)cc1 ZINC000365799258 1041583278 /nfs/dbraw/zinc/58/32/78/1041583278.db2.gz WVIPPAOJCMFRAV-OALUTQOASA-N 1 0 322.456 4.454 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3CCc4cc(F)cc(F)c4C3)(CC1)CC2 ZINC001170675801 1041616064 /nfs/dbraw/zinc/61/60/64/1041616064.db2.gz UUCZSLDRQIBTDK-VNCLNFNDSA-N 1 0 316.395 4.028 20 30 DIEDRO C=CCCN(Cc1ccccc1)Cc1ncc(Cl)nc1Cl ZINC001141136459 1041621649 /nfs/dbraw/zinc/62/16/49/1041621649.db2.gz ZUTQXQGYNOVOLR-UHFFFAOYSA-N 1 0 322.239 4.362 20 30 DIEDRO C=CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000812494345 1041626273 /nfs/dbraw/zinc/62/62/73/1041626273.db2.gz JRBFKNILDWWHSX-QZTJIDSGSA-N 1 0 323.525 4.027 20 30 DIEDRO C=CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000812494347 1041626389 /nfs/dbraw/zinc/62/63/89/1041626389.db2.gz JRBFKNILDWWHSX-ZWKOTPCHSA-N 1 0 323.525 4.027 20 30 DIEDRO C=CCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000812494205 1041626609 /nfs/dbraw/zinc/62/66/09/1041626609.db2.gz JRBFKNILDWWHSX-MSOLQXFVSA-N 1 0 323.525 4.027 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000747815391 1041647827 /nfs/dbraw/zinc/64/78/27/1041647827.db2.gz GNNZLOFUPPDOFZ-FOIQADDNSA-N 1 0 324.399 4.284 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000812842368 1041655550 /nfs/dbraw/zinc/65/55/50/1041655550.db2.gz IZPZHVQGFCCFHD-QGZVFWFLSA-N 1 0 315.505 4.056 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000417374371 1041664188 /nfs/dbraw/zinc/66/41/88/1041664188.db2.gz YCTFEVGBUMSOPZ-NHCUHLMSSA-N 1 0 317.436 4.462 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cn1 ZINC000417367327 1041665488 /nfs/dbraw/zinc/66/54/88/1041665488.db2.gz OPUPVCXZHHTDOX-QZTJIDSGSA-N 1 0 309.388 4.211 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000417367746 1041665511 /nfs/dbraw/zinc/66/55/11/1041665511.db2.gz PGMAQQJGXANJCH-NHCUHLMSSA-N 1 0 318.420 4.308 20 30 DIEDRO CC(C)CC[NH+]1CCC(N[C@H](CCC#N)c2ccccc2)CC1 ZINC000925599777 1041666791 /nfs/dbraw/zinc/66/67/91/1041666791.db2.gz CITAPPURISHKHA-HXUWFJFHSA-N 1 0 313.489 4.132 20 30 DIEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000728777083 1041683427 /nfs/dbraw/zinc/68/34/27/1041683427.db2.gz YJDQXIGIPXKJLG-RBUKOAKNSA-N 1 0 313.489 4.341 20 30 DIEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000728777084 1041683843 /nfs/dbraw/zinc/68/38/43/1041683843.db2.gz YJDQXIGIPXKJLG-RTBURBONSA-N 1 0 313.489 4.341 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000747855892 1041713986 /nfs/dbraw/zinc/71/39/86/1041713986.db2.gz CQTLESNLXMYIHH-LJQANCHMSA-N 1 0 316.514 4.074 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)C1CC1 ZINC000747858783 1041720741 /nfs/dbraw/zinc/72/07/41/1041720741.db2.gz YYNQVLGQZCIUOD-IBGZPJMESA-N 1 0 312.457 4.038 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(O)c1Cl ZINC000418152180 1041731608 /nfs/dbraw/zinc/73/16/08/1041731608.db2.gz YDMBNQIQYIEQHE-MRXNPFEDSA-N 1 0 312.800 4.084 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000752790303 1041735683 /nfs/dbraw/zinc/73/56/83/1041735683.db2.gz RCPNVSGZUYNXAU-GOSISDBHSA-N 1 0 311.812 4.129 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(C)(C)COC)cc1 ZINC000813883878 1041742848 /nfs/dbraw/zinc/74/28/48/1041742848.db2.gz YRBAOXJKZLWFIW-CQSZACIVSA-N 1 0 311.853 4.141 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1c(O)ccc2ccccc21 ZINC000025477614 1041750948 /nfs/dbraw/zinc/75/09/48/1041750948.db2.gz HNIZINVWSMVIKZ-UHFFFAOYSA-N 1 0 302.377 4.049 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2cc(OC3CCC3)cc(F)c2C#N)cc1 ZINC001204643052 1041759618 /nfs/dbraw/zinc/75/96/18/1041759618.db2.gz ZTQTZWOCCHRQFM-UHFFFAOYSA-N 1 0 324.399 4.357 20 30 DIEDRO CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709467194 1041786162 /nfs/dbraw/zinc/78/61/62/1041786162.db2.gz AHTQTHYLVHQOBA-BBWFWOEESA-N 1 0 324.509 4.334 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C/C=C\c2ccc(F)cc2)c1 ZINC000747917066 1041791217 /nfs/dbraw/zinc/79/12/17/1041791217.db2.gz VYKNRCFYPPKJTA-UTSMFGRCSA-N 1 0 324.399 4.310 20 30 DIEDRO CCOc1cccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1O ZINC000814304998 1041808141 /nfs/dbraw/zinc/80/81/41/1041808141.db2.gz VQYTYEFBOITRII-GOSISDBHSA-N 1 0 324.424 4.316 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c(O)c1 ZINC000814304778 1041808826 /nfs/dbraw/zinc/80/88/26/1041808826.db2.gz QYZMAZSCDAGDOQ-LJQANCHMSA-N 1 0 324.424 4.316 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657371 1041845368 /nfs/dbraw/zinc/84/53/68/1041845368.db2.gz CRSXLGXYEOHXHZ-INIZCTEOSA-N 1 0 316.445 4.430 20 30 DIEDRO CCCCCCCC[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000814655726 1041845916 /nfs/dbraw/zinc/84/59/16/1041845916.db2.gz VWTDOAJKIQQUMG-LBPRGKRZSA-N 1 0 314.271 4.250 20 30 DIEDRO CC(=NNc1ccccc1Cl)c1cccc(C[NH+](C)C)c1 ZINC000814690935 1041854198 /nfs/dbraw/zinc/85/41/98/1041854198.db2.gz GAMKRSWHQHQYAZ-UHFFFAOYSA-N 1 0 301.821 4.238 20 30 DIEDRO CC(=NN[C@H](C)c1ccc(C(C)C)cc1)C1CC[NH+](C)CC1 ZINC000814811821 1041870564 /nfs/dbraw/zinc/87/05/64/1041870564.db2.gz VJRNTXRLHBHHDP-OAHLLOKOSA-N 1 0 301.478 4.178 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000651670448 1041873582 /nfs/dbraw/zinc/87/35/82/1041873582.db2.gz JLEMCYKPTOUITJ-MAUKXSAKSA-N 1 0 324.424 4.366 20 30 DIEDRO CC(=NNc1cccc2cnccc21)c1cccc(C[NH+](C)C)c1 ZINC000814836457 1041874280 /nfs/dbraw/zinc/87/42/80/1041874280.db2.gz QUSMNIHTJWLJKR-UHFFFAOYSA-N 1 0 318.424 4.133 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000651670450 1041874290 /nfs/dbraw/zinc/87/42/90/1041874290.db2.gz JLEMCYKPTOUITJ-YJBOKZPZSA-N 1 0 324.424 4.366 20 30 DIEDRO C=CCC[NH2+][C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001170769333 1041878125 /nfs/dbraw/zinc/87/81/25/1041878125.db2.gz OLGJWXQXVQGJNW-QGZVFWFLSA-N 1 0 318.461 4.198 20 30 DIEDRO CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(C[NH+](C)C)cc1 ZINC000814863974 1041879219 /nfs/dbraw/zinc/87/92/19/1041879219.db2.gz KOFAAYSDESCWMJ-UHFFFAOYSA-N 1 0 321.346 4.002 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000661115344 1041887790 /nfs/dbraw/zinc/88/77/90/1041887790.db2.gz BLCQTNFFTVLOMI-BZUAXINKSA-N 1 0 321.465 4.028 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C ZINC000661114076 1041888038 /nfs/dbraw/zinc/88/80/38/1041888038.db2.gz CSZDDGDPCZZVQL-FUHWJXTLSA-N 1 0 300.446 4.048 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000661115397 1041888179 /nfs/dbraw/zinc/88/81/79/1041888179.db2.gz BUXFTFVLYWHHBY-NVXWUHKLSA-N 1 0 311.429 4.004 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000661118130 1041889522 /nfs/dbraw/zinc/88/95/22/1041889522.db2.gz WVWVDAXIJTUJRS-OCCSQVGLSA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Cl ZINC000661116223 1041890172 /nfs/dbraw/zinc/89/01/72/1041890172.db2.gz HYGBHIIPWUULGF-HIFRSBDPSA-N 1 0 306.837 4.003 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000661119709 1041890390 /nfs/dbraw/zinc/89/03/90/1041890390.db2.gz WKOZHTXPZIQTRP-JSGCOSHPSA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](Cc2nccn2C)c2ccccc2)C1 ZINC000651725221 1041895866 /nfs/dbraw/zinc/89/58/66/1041895866.db2.gz WVAMGOIIHHZNJI-NZSAHSFTSA-N 1 0 309.457 4.038 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001134838122 1041906872 /nfs/dbraw/zinc/90/68/72/1041906872.db2.gz MWLCBZYDLGIXNA-LJQANCHMSA-N 1 0 320.436 4.180 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651793136 1041914585 /nfs/dbraw/zinc/91/45/85/1041914585.db2.gz ZXOKFPYYBBODFB-PBEJRMEISA-N 1 0 322.452 4.380 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000661378283 1041928703 /nfs/dbraw/zinc/92/87/03/1041928703.db2.gz BPBAYMIXQACQCU-STQMWFEESA-N 1 0 303.431 4.147 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000661378216 1041929396 /nfs/dbraw/zinc/92/93/96/1041929396.db2.gz AMJHEVDNQFONEJ-INIZCTEOSA-N 1 0 314.473 4.038 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000661379018 1041929417 /nfs/dbraw/zinc/92/94/17/1041929417.db2.gz QRORRJZFBMMAHL-CHWSQXEVSA-N 1 0 303.431 4.147 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000661378325 1041929880 /nfs/dbraw/zinc/92/98/80/1041929880.db2.gz CSTBVDODRSYBAY-SFHVURJKSA-N 1 0 314.473 4.310 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000661379632 1041930009 /nfs/dbraw/zinc/93/00/09/1041930009.db2.gz FMXBYIJPEZMHPB-ZDUSSCGKSA-N 1 0 317.820 4.178 20 30 DIEDRO CCSc1cc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)ccn1 ZINC000278846264 1041951514 /nfs/dbraw/zinc/95/15/14/1041951514.db2.gz VFVHPYHUXGSMFJ-QGZVFWFLSA-N 1 0 311.454 4.306 20 30 DIEDRO Cc1cc(CNc2ccccc2O[C@@H](C)C#N)c2c(n1)CCCC2 ZINC000893472928 1041960211 /nfs/dbraw/zinc/96/02/11/1041960211.db2.gz QVDBQDRJMDGKNY-HNNXBMFYSA-N 1 0 321.424 4.172 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](CC)c1ccc(C(=O)OC)cc1)c1ccncc1 ZINC000815580819 1041966441 /nfs/dbraw/zinc/96/64/41/1041966441.db2.gz RKHSQTXQLRTYSV-MOPGFXCFSA-N 1 0 324.424 4.226 20 30 DIEDRO C#CCCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815595798 1041970147 /nfs/dbraw/zinc/97/01/47/1041970147.db2.gz BRQHCXNJOZUJKR-HXUWFJFHSA-N 1 0 307.437 4.459 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](CC)c1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000815599559 1041970517 /nfs/dbraw/zinc/97/05/17/1041970517.db2.gz VZYZRRMGLBEEKX-UXHICEINSA-N 1 0 321.420 4.279 20 30 DIEDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000815635571 1041981867 /nfs/dbraw/zinc/98/18/67/1041981867.db2.gz FRCGKXSWDJRLMV-KXBFYZLASA-N 1 0 324.424 4.487 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000815636819 1041981988 /nfs/dbraw/zinc/98/19/88/1041981988.db2.gz CTWAIISIRFBCBT-OAHLLOKOSA-N 1 0 300.446 4.066 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2cc(Cl)ccc2C)CCCC1 ZINC000661861628 1042007580 /nfs/dbraw/zinc/00/75/80/1042007580.db2.gz DMOOVRXMMARBRB-UHFFFAOYSA-N 1 0 306.837 4.065 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000662081789 1042058105 /nfs/dbraw/zinc/05/81/05/1042058105.db2.gz SAOBSYSKEZYGRC-KURKYZTESA-N 1 0 312.457 4.122 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000662086310 1042059742 /nfs/dbraw/zinc/05/97/42/1042059742.db2.gz QTJLPVGZHZWZGP-CWRNSKLLSA-N 1 0 318.848 4.158 20 30 DIEDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC001170835215 1042073885 /nfs/dbraw/zinc/07/38/85/1042073885.db2.gz JKZJJBYDAWFACK-UHFFFAOYSA-N 1 0 324.468 4.407 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000024665355 1042105381 /nfs/dbraw/zinc/10/53/81/1042105381.db2.gz RQDWGMXRDSSHER-KRWDZBQOSA-N 1 0 317.392 4.079 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(N2CCCCCC2)cc1 ZINC000818356298 1042150565 /nfs/dbraw/zinc/15/05/65/1042150565.db2.gz NCLLYHMRRHWTRD-JENIJYKNSA-N 1 0 311.473 4.410 20 30 DIEDRO N#CCC[NH2+]CCCN1c2ccccc2Sc2ccccc21 ZINC000818955408 1042163965 /nfs/dbraw/zinc/16/39/65/1042163965.db2.gz UXAHFQYHOQYLDK-UHFFFAOYSA-N 1 0 309.438 4.183 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001136177328 1042164789 /nfs/dbraw/zinc/16/47/89/1042164789.db2.gz HOLBCYVKPCRKHJ-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CC[C@@H]([NH2+]CCc1nc2c(cccc2C)o1)c1ccc(C#N)cc1 ZINC000278898667 1042172938 /nfs/dbraw/zinc/17/29/38/1042172938.db2.gz ZFNRCMLYWCFYMU-QGZVFWFLSA-N 1 0 319.408 4.291 20 30 DIEDRO C[C@H]([NH2+]CCCn1ccc2ccccc21)c1cccc(C#N)c1 ZINC000319731055 1042229875 /nfs/dbraw/zinc/22/98/75/1042229875.db2.gz QZFWNQNEUTWWME-INIZCTEOSA-N 1 0 303.409 4.254 20 30 DIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc(Cl)c(F)c2)c1 ZINC000821017744 1042238178 /nfs/dbraw/zinc/23/81/78/1042238178.db2.gz NBRAWFNXLAKJIF-VQHVLOKHSA-N 1 0 317.791 4.437 20 30 DIEDRO N#C[C@H]1CC[C@H](Nc2cc[nH+]c(C3(C(F)(F)F)CC3)c2)CC1 ZINC001167844382 1042261556 /nfs/dbraw/zinc/26/15/56/1042261556.db2.gz DWAQKIROIQVNJK-HAQNSBGRSA-N 1 0 309.335 4.170 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000319810678 1042276403 /nfs/dbraw/zinc/27/64/03/1042276403.db2.gz IOFICUAPDSIUKX-OAHLLOKOSA-N 1 0 305.377 4.296 20 30 DIEDRO CS[C@H]1CC[C@H]1[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000822456818 1042286768 /nfs/dbraw/zinc/28/67/68/1042286768.db2.gz VBJYTXDVVSTQIV-WBVHZDCISA-N 1 0 314.479 4.270 20 30 DIEDRO CCN(Cc1ccnc(Cl)c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000823403925 1042323611 /nfs/dbraw/zinc/32/36/11/1042323611.db2.gz GFTWYUANAZQJHZ-LBPRGKRZSA-N 1 0 317.795 4.329 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000436302968 1042326459 /nfs/dbraw/zinc/32/64/59/1042326459.db2.gz BEPCXEQWOFPFHQ-WQVCFCJDSA-N 1 0 323.889 4.448 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(OC)ccc2C1)c1ccc(C#N)cc1 ZINC000618575647 1042334100 /nfs/dbraw/zinc/33/41/00/1042334100.db2.gz USROKWQGTUXUSN-FPOVZHCZSA-N 1 0 320.436 4.165 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(Cl)nc1Cl ZINC000823616634 1042335747 /nfs/dbraw/zinc/33/57/47/1042335747.db2.gz BGYHQSFAURRVPR-NSHDSACASA-N 1 0 320.223 4.453 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000237159116 1042362861 /nfs/dbraw/zinc/36/28/61/1042362861.db2.gz BPDJKMXXQSYUGD-CQSZACIVSA-N 1 0 315.388 4.077 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000724454065 1042369235 /nfs/dbraw/zinc/36/92/35/1042369235.db2.gz FCCINGIZDLXGFK-UHFFFAOYSA-N 1 0 312.226 4.424 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000237202020 1042374375 /nfs/dbraw/zinc/37/43/75/1042374375.db2.gz TUSZIXBTUCKTNG-UHFFFAOYSA-N 1 0 319.452 4.205 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000237637094 1042377806 /nfs/dbraw/zinc/37/78/06/1042377806.db2.gz ANHXVCVQMXSMES-JTQLQIEISA-N 1 0 312.360 4.493 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CCC(C)(C)CC2)c1 ZINC000236894339 1042378885 /nfs/dbraw/zinc/37/88/85/1042378885.db2.gz KTHDXJHOWVPBBL-QGZVFWFLSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H](CC)C2)c1 ZINC000236944368 1042418775 /nfs/dbraw/zinc/41/87/75/1042418775.db2.gz FHDLNLVIXITUCD-KBAYOESNSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(OC)cc1 ZINC000236944591 1042419142 /nfs/dbraw/zinc/41/91/42/1042419142.db2.gz MFSYJXMVGHFSGG-QRWLVFNGSA-N 1 0 324.424 4.227 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000614168640 1042419603 /nfs/dbraw/zinc/41/96/03/1042419603.db2.gz NHPYFMYHPJMEMT-UHFFFAOYSA-N 1 0 310.363 4.262 20 30 DIEDRO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171535 1042421669 /nfs/dbraw/zinc/42/16/69/1042421669.db2.gz OQOSCTBBOUYHON-UHFFFAOYSA-N 1 0 315.848 4.112 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178421 1042422146 /nfs/dbraw/zinc/42/21/46/1042422146.db2.gz BSSKYGAIKWJBSP-GOSISDBHSA-N 1 0 322.456 4.165 20 30 DIEDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614175842 1042422239 /nfs/dbraw/zinc/42/22/39/1042422239.db2.gz BAYUFDKXBWCWME-OAHLLOKOSA-N 1 0 304.503 4.451 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614180036 1042422688 /nfs/dbraw/zinc/42/26/88/1042422688.db2.gz UCWWHGYJZCPFIL-HNNXBMFYSA-N 1 0 308.425 4.347 20 30 DIEDRO COCC[N@H+](CCC1(C#N)CCCCC1)Cc1cccs1 ZINC000411128475 1042426951 /nfs/dbraw/zinc/42/69/51/1042426951.db2.gz AFNAQNKUOOIEIZ-UHFFFAOYSA-N 1 0 306.475 4.061 20 30 DIEDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCCC#N)cc1 ZINC000236961236 1042428851 /nfs/dbraw/zinc/42/88/51/1042428851.db2.gz XLXUPQJKIBGQRV-UHFFFAOYSA-N 1 0 321.468 4.497 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235807 1042442694 /nfs/dbraw/zinc/44/26/94/1042442694.db2.gz IAGUITZUWWNYFB-QGZVFWFLSA-N 1 0 324.472 4.078 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000236990318 1042446840 /nfs/dbraw/zinc/44/68/40/1042446840.db2.gz DAGXEGQUQWVJSA-AEFFLSMTSA-N 1 0 308.425 4.261 20 30 DIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 ZINC000236990155 1042447350 /nfs/dbraw/zinc/44/73/50/1042447350.db2.gz DAGXEGQUQWVJSA-WMZOPIPTSA-N 1 0 308.425 4.261 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411979415 1042464561 /nfs/dbraw/zinc/46/45/61/1042464561.db2.gz FGAZMUHIPZEVRB-SFHVURJKSA-N 1 0 300.446 4.250 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419329031 1042471352 /nfs/dbraw/zinc/47/13/52/1042471352.db2.gz GEOLRZVIZQELLX-IRXDYDNUSA-N 1 0 306.494 4.234 20 30 DIEDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CCCC1 ZINC000151024109 1042481729 /nfs/dbraw/zinc/48/17/29/1042481729.db2.gz NFAVKXXGFMMNGE-INIZCTEOSA-N 1 0 300.446 4.196 20 30 DIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614396679 1042490076 /nfs/dbraw/zinc/49/00/76/1042490076.db2.gz DSJHYJHBKMMLKN-HXUWFJFHSA-N 1 0 320.436 4.082 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614397334 1042490151 /nfs/dbraw/zinc/49/01/51/1042490151.db2.gz LVVGYPYRIMJSHL-LJQANCHMSA-N 1 0 306.409 4.212 20 30 DIEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614396678 1042490159 /nfs/dbraw/zinc/49/01/59/1042490159.db2.gz DSJHYJHBKMMLKN-FQEVSTJZSA-N 1 0 320.436 4.082 20 30 DIEDRO Cc1cc(C#N)ccc1CN(C)[C@H](C)c1cc(F)ccc1F ZINC000614397733 1042490292 /nfs/dbraw/zinc/49/02/92/1042490292.db2.gz ZAXHVQLGNUIYTJ-CYBMUJFWSA-N 1 0 300.352 4.338 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000614397710 1042491065 /nfs/dbraw/zinc/49/10/65/1042491065.db2.gz UBNDOCFQXJKEJP-NRFANRHFSA-N 1 0 320.436 4.048 20 30 DIEDRO C=C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000513452289 1042543011 /nfs/dbraw/zinc/54/30/11/1042543011.db2.gz WVJLQLIECOMAET-UHFFFAOYSA-N 1 0 318.420 4.289 20 30 DIEDRO C=CCC[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccco1 ZINC000513678097 1042558550 /nfs/dbraw/zinc/55/85/50/1042558550.db2.gz IADITSGKCAACFP-HNNXBMFYSA-N 1 0 307.340 4.234 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccco1 ZINC000513678098 1042558670 /nfs/dbraw/zinc/55/86/70/1042558670.db2.gz IADITSGKCAACFP-OAHLLOKOSA-N 1 0 307.340 4.234 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)c1ccco1 ZINC000513684240 1042559094 /nfs/dbraw/zinc/55/90/94/1042559094.db2.gz PQVLXKJVMWJASP-QGZVFWFLSA-N 1 0 315.413 4.136 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc(OC)c1 ZINC000618803377 1042600106 /nfs/dbraw/zinc/60/01/06/1042600106.db2.gz IGEKELFMYCSTJE-UXHICEINSA-N 1 0 306.409 4.295 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000618805343 1042610087 /nfs/dbraw/zinc/61/00/87/1042610087.db2.gz GMGJYILLTNZCLR-WOJBJXKFSA-N 1 0 301.393 4.158 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000618805402 1042611067 /nfs/dbraw/zinc/61/10/67/1042611067.db2.gz ODJKTTJGEZPIDO-OUNSHVDWSA-N 1 0 306.384 4.220 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618805254 1042611214 /nfs/dbraw/zinc/61/12/14/1042611214.db2.gz FNVPDPFBUKTIGG-LIRRHRJNSA-N 1 0 322.477 4.488 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](CC(F)F)c2ccccc2)ccc1C#N ZINC000420988661 1042619133 /nfs/dbraw/zinc/61/91/33/1042619133.db2.gz ASJKHIPDYXLDRO-KRWDZBQOSA-N 1 0 300.352 4.353 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H](CC(F)F)c2ccccc2)cc1 ZINC000420999488 1042621071 /nfs/dbraw/zinc/62/10/71/1042621071.db2.gz VACOEHCELJDILJ-QGZVFWFLSA-N 1 0 300.352 4.239 20 30 DIEDRO N#CCCCC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421323654 1042629717 /nfs/dbraw/zinc/62/97/17/1042629717.db2.gz IUBWGMMOWMRLBS-UHFFFAOYSA-N 1 0 322.456 4.449 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C#N)s1 ZINC000421348386 1042631405 /nfs/dbraw/zinc/63/14/05/1042631405.db2.gz FQUOAHYBWANPQQ-NSHDSACASA-N 1 0 306.381 4.009 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)cc1F ZINC000421355219 1042631648 /nfs/dbraw/zinc/63/16/48/1042631648.db2.gz ITPPTKRTGCCTMM-ZIAGYGMSSA-N 1 0 314.326 4.156 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(C2CC2)c1 ZINC000421350663 1042631727 /nfs/dbraw/zinc/63/17/27/1042631727.db2.gz BAHQAPFKYAYTQK-UHFFFAOYSA-N 1 0 311.425 4.228 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC(C)(C)CCC#N)C2CC2)c(F)c1 ZINC000421856403 1042657565 /nfs/dbraw/zinc/65/75/65/1042657565.db2.gz OMXIPAKPOVQNJB-KRWDZBQOSA-N 1 0 304.409 4.205 20 30 DIEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccsc2S1 ZINC000421875934 1042660177 /nfs/dbraw/zinc/66/01/77/1042660177.db2.gz JMQRFSVKRQMZAO-TVQRCGJNSA-N 1 0 306.481 4.396 20 30 DIEDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(C#N)s2)c1 ZINC000421880544 1042661138 /nfs/dbraw/zinc/66/11/38/1042661138.db2.gz OLQHLYINGFAROG-NSHDSACASA-N 1 0 322.380 4.380 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)s1 ZINC000421868654 1042661804 /nfs/dbraw/zinc/66/18/04/1042661804.db2.gz DCCHJQWVQHTRNQ-HNNXBMFYSA-N 1 0 318.829 4.277 20 30 DIEDRO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423028892 1042696567 /nfs/dbraw/zinc/69/65/67/1042696567.db2.gz HFUUFXLHRYXOHW-VWKPWSFCSA-N 1 0 319.452 4.016 20 30 DIEDRO CC(C)c1ccc([C@@H](N)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000423247981 1042703528 /nfs/dbraw/zinc/70/35/28/1042703528.db2.gz RAVFWYZYAKRRAX-YWZLYKJASA-N 1 0 307.441 4.032 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc(C#N)c1 ZINC000423442995 1042712407 /nfs/dbraw/zinc/71/24/07/1042712407.db2.gz PYIMQAIMVDTPHZ-UGSOOPFHSA-N 1 0 321.424 4.093 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000424172756 1042728114 /nfs/dbraw/zinc/72/81/14/1042728114.db2.gz MCSWSJOWRXSHHD-KSSFIOAISA-N 1 0 315.388 4.075 20 30 DIEDRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424208340 1042730145 /nfs/dbraw/zinc/73/01/45/1042730145.db2.gz ZDUZGXJEVCRRRO-FQDRTLPPSA-N 1 0 308.347 4.391 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000424289783 1042731381 /nfs/dbraw/zinc/73/13/81/1042731381.db2.gz AFTAQVYJQDFRIW-GLQYFDAESA-N 1 0 312.240 4.161 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000424300962 1042731923 /nfs/dbraw/zinc/73/19/23/1042731923.db2.gz YVKJUENWSHUKMV-GUXCAODWSA-N 1 0 324.424 4.116 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000424299603 1042732112 /nfs/dbraw/zinc/73/21/12/1042732112.db2.gz VSDLORKSAFOMDR-JQFCIGGWSA-N 1 0 321.848 4.043 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000424327915 1042734152 /nfs/dbraw/zinc/73/41/52/1042734152.db2.gz NGPNRAVQYFITDE-SGIREYDYSA-N 1 0 324.346 4.318 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000424336690 1042734454 /nfs/dbraw/zinc/73/44/54/1042734454.db2.gz YIUFTMUKWDUCPH-LNSITVRQSA-N 1 0 312.335 4.318 20 30 DIEDRO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424335062 1042734600 /nfs/dbraw/zinc/73/46/00/1042734600.db2.gz WLEKZVYLVSWZCS-MFHCWRBVSA-N 1 0 312.457 4.392 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424346468 1042738021 /nfs/dbraw/zinc/73/80/21/1042738021.db2.gz JOPSZECHCLJHIY-XIRDDKMYSA-N 1 0 311.454 4.099 20 30 DIEDRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H](CCCC#N)c3ccccc3)C[C@H]2C1 ZINC000424342787 1042738100 /nfs/dbraw/zinc/73/81/00/1042738100.db2.gz DMMRWJMLBNLGLY-UTBUEMAESA-N 1 0 312.457 4.215 20 30 DIEDRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H](CCCC#N)c3ccccc3)C[C@H]2C1 ZINC000424342785 1042738238 /nfs/dbraw/zinc/73/82/38/1042738238.db2.gz DMMRWJMLBNLGLY-JAZQRGJZSA-N 1 0 312.457 4.215 20 30 DIEDRO CO[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000513969872 1042765830 /nfs/dbraw/zinc/76/58/30/1042765830.db2.gz FPNWROPYCINTQG-GOSISDBHSA-N 1 0 314.816 4.031 20 30 DIEDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000514184309 1042771565 /nfs/dbraw/zinc/77/15/65/1042771565.db2.gz SNPXZZTWMAFLBY-HXUWFJFHSA-N 1 0 308.400 4.213 20 30 DIEDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000514191275 1042774153 /nfs/dbraw/zinc/77/41/53/1042774153.db2.gz XKCZIATUFIYSSE-LJQANCHMSA-N 1 0 308.400 4.213 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1Cl ZINC000514237816 1042776949 /nfs/dbraw/zinc/77/69/49/1042776949.db2.gz NXRWVAZRXBPXEA-LBPRGKRZSA-N 1 0 320.795 4.290 20 30 DIEDRO Cc1cc(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)cn1 ZINC000425276164 1042786942 /nfs/dbraw/zinc/78/69/42/1042786942.db2.gz DBCXKACALUONLN-GOSISDBHSA-N 1 0 323.465 4.018 20 30 DIEDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000425366206 1042798704 /nfs/dbraw/zinc/79/87/04/1042798704.db2.gz ORSVMMBIXZFZCY-HNNXBMFYSA-N 1 0 324.424 4.077 20 30 DIEDRO C=CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](CC)CCCC ZINC001269960651 1042801688 /nfs/dbraw/zinc/80/16/88/1042801688.db2.gz QFKNZTXFPTUBKU-HCXYKTFWSA-N 1 0 320.521 4.090 20 30 DIEDRO C=CCCc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC000514974451 1042803379 /nfs/dbraw/zinc/80/33/79/1042803379.db2.gz MAPUVPIQXKXCDE-INIZCTEOSA-N 1 0 317.477 4.047 20 30 DIEDRO CC(C)(C#N)CCCCN1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000515075781 1042807817 /nfs/dbraw/zinc/80/78/17/1042807817.db2.gz UCIRBGZEYWRXLN-HNNXBMFYSA-N 1 0 320.399 4.138 20 30 DIEDRO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000515511858 1042823516 /nfs/dbraw/zinc/82/35/16/1042823516.db2.gz XZKCSQLMKBDVDU-GOSISDBHSA-N 1 0 312.363 4.044 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCCC1CCOCC1 ZINC000425533851 1042837293 /nfs/dbraw/zinc/83/72/93/1042837293.db2.gz LMFZZTNLNIYAIC-MRXNPFEDSA-N 1 0 300.446 4.148 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCC(=O)c1ccccc1 ZINC000425539756 1042839104 /nfs/dbraw/zinc/83/91/04/1042839104.db2.gz UMNZWDQGGQOSAH-INIZCTEOSA-N 1 0 306.409 4.214 20 30 DIEDRO Cc1ccncc1CCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000517057179 1042864327 /nfs/dbraw/zinc/86/43/27/1042864327.db2.gz JVJWWICXWYCMCO-SFTDATJTSA-N 1 0 319.452 4.094 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)c1ncccc1C)c1ccc(C#N)cc1 ZINC000517442425 1042880692 /nfs/dbraw/zinc/88/06/92/1042880692.db2.gz SBTVDCXSUORACQ-GOSISDBHSA-N 1 0 307.441 4.280 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925027519 1042881851 /nfs/dbraw/zinc/88/18/51/1042881851.db2.gz KGBOLKXLXRUHBK-OAHLLOKOSA-N 1 0 311.429 4.024 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000517667321 1042892257 /nfs/dbraw/zinc/89/22/57/1042892257.db2.gz AXBMUKSKZXLRIW-UHFFFAOYSA-N 1 0 317.436 4.172 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000518978132 1042927748 /nfs/dbraw/zinc/92/77/48/1042927748.db2.gz WWMNERFSRDPKSE-UHFFFAOYSA-N 1 0 324.399 4.177 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccncc2)ccc1OC ZINC000426553701 1042937346 /nfs/dbraw/zinc/93/73/46/1042937346.db2.gz DXWDFCPMOKWGDM-LJQANCHMSA-N 1 0 308.425 4.298 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1CCC(OC)CC1 ZINC000894416826 1042955991 /nfs/dbraw/zinc/95/59/91/1042955991.db2.gz FZKKLBNIMOZAGD-UHFFFAOYSA-N 1 0 319.493 4.047 20 30 DIEDRO C[C@]1(Br)C[C@H]1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000894607554 1042969415 /nfs/dbraw/zinc/96/94/15/1042969415.db2.gz UPLAXWJYRHAFBS-JYJNAYRXSA-N 1 0 321.262 4.185 20 30 DIEDRO Cc1ccc([C@@H](CNc2ccc(C#N)cc2F)[NH+]2CCCC2)cc1 ZINC000507014335 1042980432 /nfs/dbraw/zinc/98/04/32/1042980432.db2.gz IBKQYKYDSAEBOG-HXUWFJFHSA-N 1 0 323.415 4.255 20 30 DIEDRO N#Cc1ccnc(C[N@@H+](Cc2cccc(F)c2)C2CCCC2)c1 ZINC001167984496 1042981383 /nfs/dbraw/zinc/98/13/83/1042981383.db2.gz SPMPRUIYICOCCX-UHFFFAOYSA-N 1 0 309.388 4.037 20 30 DIEDRO CCCCCCCCCCCCC(=O)N1CC2(C1)C[NH+](C)C2 ZINC001270766381 1042986191 /nfs/dbraw/zinc/98/61/91/1042986191.db2.gz BGQAJBAIYLBKTK-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO CC[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)Oc1ccccc1F ZINC000519861237 1043006464 /nfs/dbraw/zinc/00/64/64/1043006464.db2.gz WMEPKZPVLQONRA-APWZRJJASA-N 1 0 324.399 4.132 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441029953 1043016471 /nfs/dbraw/zinc/01/64/71/1043016471.db2.gz NIVZPLDNFCQTSY-UHFFFAOYSA-N 1 0 308.400 4.185 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(-c2ccncc2)c1 ZINC000151398905 1043021413 /nfs/dbraw/zinc/02/14/13/1043021413.db2.gz ZVFHNLVZWARCOI-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCOc2ccccc2C#N)C1 ZINC000441320847 1043035263 /nfs/dbraw/zinc/03/52/63/1043035263.db2.gz DATMMZVDALCQTI-KXBFYZLASA-N 1 0 324.399 4.159 20 30 DIEDRO COc1ccc(C[NH2+]CC2CCC(C#N)CC2)c2ccccc12 ZINC000441329129 1043037563 /nfs/dbraw/zinc/03/75/63/1043037563.db2.gz BUPGGABAILRIIT-UHFFFAOYSA-N 1 0 308.425 4.268 20 30 DIEDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000441389427 1043043068 /nfs/dbraw/zinc/04/30/68/1043043068.db2.gz VKTDGESMJHKISD-OXQOHEQNSA-N 1 0 320.436 4.225 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(C#N)cc1 ZINC000174039576 1043058853 /nfs/dbraw/zinc/05/88/53/1043058853.db2.gz VRGKVVPFWCMINB-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C)cc1O ZINC000794826989 1043066247 /nfs/dbraw/zinc/06/62/47/1043066247.db2.gz GOVRFSGQBYDHDC-RBUKOAKNSA-N 1 0 306.409 4.301 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cccc(C#N)c1 ZINC000174429573 1043066829 /nfs/dbraw/zinc/06/68/29/1043066829.db2.gz CCYKOBNWRRTRCM-QGZVFWFLSA-N 1 0 319.452 4.399 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccc(OCC#N)cc1 ZINC000320010603 1043077437 /nfs/dbraw/zinc/07/74/37/1043077437.db2.gz FBFYMIJGZVNLNL-STQMWFEESA-N 1 0 316.351 4.279 20 30 DIEDRO CCCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000350683348 1043094441 /nfs/dbraw/zinc/09/44/41/1043094441.db2.gz FEIDADDZWVUAHV-UHFFFAOYSA-N 1 0 323.440 4.002 20 30 DIEDRO C=C[C@@](C)(CC)C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000188954194 1043132170 /nfs/dbraw/zinc/13/21/70/1043132170.db2.gz LGOMWIVDUZCMJM-IBGZPJMESA-N 1 0 300.446 4.199 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cc2cnccc2o1 ZINC000865853446 1043142142 /nfs/dbraw/zinc/14/21/42/1043142142.db2.gz HTQFIZMVHTVCLV-CQSZACIVSA-N 1 0 319.408 4.480 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000120800421 1043143930 /nfs/dbraw/zinc/14/39/30/1043143930.db2.gz AELFXOFUVNFIOC-HUUCEWRRSA-N 1 0 312.388 4.448 20 30 DIEDRO CC[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463295 1043146096 /nfs/dbraw/zinc/14/60/96/1043146096.db2.gz JYVPVHSFGUHWKN-AWEZNQCLSA-N 1 0 304.397 4.018 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866352111 1043186658 /nfs/dbraw/zinc/18/66/58/1043186658.db2.gz GWLDZJABGGGQSG-HSMVNMDESA-N 1 0 320.820 4.113 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866363622 1043189804 /nfs/dbraw/zinc/18/98/04/1043189804.db2.gz KCWDMOSWOKGUDD-IRFCIJBXSA-N 1 0 319.452 4.427 20 30 DIEDRO Cc1cc(F)cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001143586018 1043196342 /nfs/dbraw/zinc/19/63/42/1043196342.db2.gz IZFRLDVCYRSYRV-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)c(C)o1 ZINC000866448346 1043203687 /nfs/dbraw/zinc/20/36/87/1043203687.db2.gz DNJZZLQZDAPAID-HNNXBMFYSA-N 1 0 323.440 4.088 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(C#N)s1)c1cccc(Cl)c1F ZINC000185846517 1043208349 /nfs/dbraw/zinc/20/83/49/1043208349.db2.gz IXKJUDHBGASISB-UHFFFAOYSA-N 1 0 308.809 4.437 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000186437692 1043225608 /nfs/dbraw/zinc/22/56/08/1043225608.db2.gz UKWOLZFDCOEFAZ-CQSZACIVSA-N 1 0 310.344 4.055 20 30 DIEDRO CCC1(CC)CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000186539280 1043228322 /nfs/dbraw/zinc/22/83/22/1043228322.db2.gz SRVQMZVLMBMUBM-UHFFFAOYSA-N 1 0 324.428 4.010 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000186575339 1043229591 /nfs/dbraw/zinc/22/95/91/1043229591.db2.gz HNEWPNBCIMBRBO-KRWDZBQOSA-N 1 0 320.436 4.300 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000186575358 1043229746 /nfs/dbraw/zinc/22/97/46/1043229746.db2.gz HNEWPNBCIMBRBO-QGZVFWFLSA-N 1 0 320.436 4.300 20 30 DIEDRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000520606405 1043233907 /nfs/dbraw/zinc/23/39/07/1043233907.db2.gz CDGYOCMRUNZYJJ-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO CCCOc1cccc(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000574729503 1043237898 /nfs/dbraw/zinc/23/78/98/1043237898.db2.gz YQKLHLFDLMVSNH-NRFANRHFSA-N 1 0 320.436 4.167 20 30 DIEDRO CCSc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000614638151 1043250956 /nfs/dbraw/zinc/25/09/56/1043250956.db2.gz CPKOJAPWRKUQSX-GOSISDBHSA-N 1 0 323.465 4.232 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)C1CC1 ZINC000121652867 1043253447 /nfs/dbraw/zinc/25/34/47/1043253447.db2.gz UYVYBNAMHDAKTL-HZPDHXFCSA-N 1 0 301.455 4.269 20 30 DIEDRO C=C[C@](C)(CC)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000188020417 1043253733 /nfs/dbraw/zinc/25/37/33/1043253733.db2.gz CBQUGFLNXJYTHN-LJQANCHMSA-N 1 0 300.446 4.132 20 30 DIEDRO CN(CC[N@H+](C)Cc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000487400159 1043284398 /nfs/dbraw/zinc/28/43/98/1043284398.db2.gz SPMPNWRQOLHRAO-UHFFFAOYSA-N 1 0 321.468 4.056 20 30 DIEDRO COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000194064497 1043288600 /nfs/dbraw/zinc/28/86/00/1043288600.db2.gz DONXGUBBUPMABV-ACJLOTCBSA-N 1 0 314.816 4.250 20 30 DIEDRO C#CCCC[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000266600444 1043302353 /nfs/dbraw/zinc/30/23/53/1043302353.db2.gz OCOHYHLKEMDQLX-MRXNPFEDSA-N 1 0 306.409 4.003 20 30 DIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCSCC#N ZINC000266755692 1043302512 /nfs/dbraw/zinc/30/25/12/1043302512.db2.gz ROPPQAKTWQNFGF-GFCCVEGCSA-N 1 0 316.392 4.345 20 30 DIEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000266931744 1043303473 /nfs/dbraw/zinc/30/34/73/1043303473.db2.gz SWDKZQBAKVTIOV-KRWDZBQOSA-N 1 0 300.446 4.032 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000266889405 1043304339 /nfs/dbraw/zinc/30/43/39/1043304339.db2.gz DCYKPGRASFXHCF-GOSISDBHSA-N 1 0 318.436 4.137 20 30 DIEDRO C[C@@H](NCc1ccc(Cl)cc1F)c1ccc(C#N)cc1F ZINC000427885635 1043313276 /nfs/dbraw/zinc/31/32/76/1043313276.db2.gz MYGNYTXWSOSTKM-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1csc(C#N)c1)CC2 ZINC000895136895 1043315197 /nfs/dbraw/zinc/31/51/97/1043315197.db2.gz XEIGTMYDOSBHSX-UHFFFAOYSA-N 1 0 321.449 4.260 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000268905325 1043343497 /nfs/dbraw/zinc/34/34/97/1043343497.db2.gz GRYNBHZOCQUQGV-JLTOFOAXSA-N 1 0 306.409 4.295 20 30 DIEDRO C/C(=C/c1ccccc1)C[NH2+]CCSCc1ccccc1C#N ZINC000520954270 1043345350 /nfs/dbraw/zinc/34/53/50/1043345350.db2.gz RBJYCWBVCFVXJV-LGMDPLHJSA-N 1 0 322.477 4.485 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCCCOc2ccc(Cl)cc2)c1 ZINC000520958245 1043346799 /nfs/dbraw/zinc/34/67/99/1043346799.db2.gz PIHIGKJYTVKZSI-UHFFFAOYSA-N 1 0 314.816 4.160 20 30 DIEDRO COc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)ccc1SC ZINC000269597771 1043369296 /nfs/dbraw/zinc/36/92/96/1043369296.db2.gz GTRZHFRTGAYKEB-UHFFFAOYSA-N 1 0 324.449 4.068 20 30 DIEDRO CC(C)CCOCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000521196418 1043374637 /nfs/dbraw/zinc/37/46/37/1043374637.db2.gz FWZKOSYADPQFRP-UHFFFAOYSA-N 1 0 302.462 4.079 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000123650405 1043378079 /nfs/dbraw/zinc/37/80/79/1043378079.db2.gz NWSBZCNOUUVJEJ-OXQOHEQNSA-N 1 0 306.409 4.315 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]C1CCC(C(F)F)CC1)C(C)C ZINC000442714788 1043407288 /nfs/dbraw/zinc/40/72/88/1043407288.db2.gz ZAYBCJUSFQUJRG-JCYILVPMSA-N 1 0 314.464 4.099 20 30 DIEDRO Cc1cccc(Oc2cc(C[NH2+][C@H]3CC[C@@H](C#N)C3)ccn2)c1C ZINC000442779330 1043416028 /nfs/dbraw/zinc/41/60/28/1043416028.db2.gz MAFVGHPESQZGMX-AEFFLSMTSA-N 1 0 321.424 4.273 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271431637 1043416430 /nfs/dbraw/zinc/41/64/30/1043416430.db2.gz DFQYMKIWKXQNHI-QAPCUYQASA-N 1 0 309.409 4.119 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000271431639 1043416483 /nfs/dbraw/zinc/41/64/83/1043416483.db2.gz DFQYMKIWKXQNHI-YJBOKZPZSA-N 1 0 309.409 4.119 20 30 DIEDRO CCN(CCC(C)(C)C#N)Cc1ccccc1Br ZINC000557966134 1043417317 /nfs/dbraw/zinc/41/73/17/1043417317.db2.gz KMNZMJPYIMOBKX-UHFFFAOYSA-N 1 0 309.251 4.211 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000442780773 1043417365 /nfs/dbraw/zinc/41/73/65/1043417365.db2.gz LOFXLEUAJJFTKH-YOEHRIQHSA-N 1 0 302.849 4.434 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)s2)cc1 ZINC000442784483 1043418285 /nfs/dbraw/zinc/41/82/85/1043418285.db2.gz PTEFOSQVLPXNLH-HIFRSBDPSA-N 1 0 312.438 4.206 20 30 DIEDRO COc1ccc(C2(C[NH2+][C@@H]3CC[C@@H](C#N)C3)CCCCC2)cc1 ZINC000442765267 1043421671 /nfs/dbraw/zinc/42/16/71/1043421671.db2.gz IVZQDHFRZIROFX-SJLPKXTDSA-N 1 0 312.457 4.179 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872044356 1043433409 /nfs/dbraw/zinc/43/34/09/1043433409.db2.gz AISAJADJWBEXIY-BJJXKVORSA-N 1 0 324.262 4.081 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872044359 1043433866 /nfs/dbraw/zinc/43/38/66/1043433866.db2.gz AISAJADJWBEXIY-JGGQBBKZSA-N 1 0 324.262 4.081 20 30 DIEDRO Cc1ccncc1[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000271538341 1043434841 /nfs/dbraw/zinc/43/48/41/1043434841.db2.gz TWUDGCNGTOELQB-CQSZACIVSA-N 1 0 318.342 4.111 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(Br)c3)CCC2)C1 ZINC000442867811 1043438480 /nfs/dbraw/zinc/43/84/80/1043438480.db2.gz ZKHVINKYHFLNKD-SWLSCSKDSA-N 1 0 319.246 4.110 20 30 DIEDRO CSc1ccccc1[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000442869188 1043438407 /nfs/dbraw/zinc/43/84/07/1043438407.db2.gz RXEJRYJBUIZIHF-CQSZACIVSA-N 1 0 312.438 4.010 20 30 DIEDRO CC(C)[C@@H](COCc1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000442865404 1043439264 /nfs/dbraw/zinc/43/92/64/1043439264.db2.gz IGWKFCLECBQXJF-AFMYVXGZSA-N 1 0 314.473 4.147 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(COC)c1)c1ccccc1 ZINC000271594995 1043441250 /nfs/dbraw/zinc/44/12/50/1043441250.db2.gz YUJHVKGVTYGVCX-OXQOHEQNSA-N 1 0 323.436 4.257 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1nc(COC)sc1-c1ccccc1 ZINC000442855532 1043443922 /nfs/dbraw/zinc/44/39/22/1043443922.db2.gz MQWXZAQUKWHCBH-AWEZNQCLSA-N 1 0 316.470 4.401 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000442854041 1043444284 /nfs/dbraw/zinc/44/42/84/1043444284.db2.gz VPHVNDGCTMDLAY-LERXQTSPSA-N 1 0 300.299 4.101 20 30 DIEDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)ccc1C#N ZINC000442883369 1043447896 /nfs/dbraw/zinc/44/78/96/1043447896.db2.gz VAUPOSUBAMYBGQ-PBHICJAKSA-N 1 0 310.397 4.133 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C12CCCCC2 ZINC000442879093 1043448995 /nfs/dbraw/zinc/44/89/95/1043448995.db2.gz VPXZTSIBMSEUQB-HIEASXQVSA-N 1 0 304.478 4.034 20 30 DIEDRO Cc1cccc([C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c2ccccn2)c1 ZINC000925662678 1043449684 /nfs/dbraw/zinc/44/96/84/1043449684.db2.gz LMEUCJMNEJWYMI-QFBILLFUSA-N 1 0 307.441 4.397 20 30 DIEDRO Cc1cccc([C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c2ccccn2)c1 ZINC000925662677 1043450667 /nfs/dbraw/zinc/45/06/67/1043450667.db2.gz LMEUCJMNEJWYMI-LPHOPBHVSA-N 1 0 307.441 4.397 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000442889687 1043450607 /nfs/dbraw/zinc/45/06/07/1043450607.db2.gz FVFWWEKTVWSBHW-IIBYNOLFSA-N 1 0 318.420 4.141 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000442897566 1043454342 /nfs/dbraw/zinc/45/43/42/1043454342.db2.gz IBHIUGRVPQVUOG-ZDUSSCGKSA-N 1 0 319.433 4.328 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000442900939 1043454552 /nfs/dbraw/zinc/45/45/52/1043454552.db2.gz SPWGVUQVRPDLLD-FUHWJXTLSA-N 1 0 306.409 4.020 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000872100101 1043457569 /nfs/dbraw/zinc/45/75/69/1043457569.db2.gz HBQWAFKSEXPAGB-CYBMUJFWSA-N 1 0 310.507 4.283 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000872099879 1043458384 /nfs/dbraw/zinc/45/83/84/1043458384.db2.gz GELJUEVRRZVUAV-OAHLLOKOSA-N 1 0 302.462 4.031 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000872101861 1043458967 /nfs/dbraw/zinc/45/89/67/1043458967.db2.gz OQAIBIPHGOFRJV-AWEZNQCLSA-N 1 0 318.461 4.297 20 30 DIEDRO C=CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000521714820 1043459619 /nfs/dbraw/zinc/45/96/19/1043459619.db2.gz BXBXLGCTEBXKHW-YLJYHZDGSA-N 1 0 312.457 4.142 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC(C(F)(F)F)C1 ZINC000348692136 1043461909 /nfs/dbraw/zinc/46/19/09/1043461909.db2.gz DKWMIYHYBDUKRQ-XUJLQICISA-N 1 0 308.347 4.256 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000521826519 1043480352 /nfs/dbraw/zinc/48/03/52/1043480352.db2.gz DQPGVONDCQJRRB-FQEVSTJZSA-N 1 0 320.436 4.016 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000348935952 1043483590 /nfs/dbraw/zinc/48/35/90/1043483590.db2.gz RFNLSSOPCUPHRJ-FQEVSTJZSA-N 1 0 321.424 4.101 20 30 DIEDRO Cc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1C ZINC000521821431 1043487030 /nfs/dbraw/zinc/48/70/30/1043487030.db2.gz SENLMZGXGPPEIO-UHFFFAOYSA-N 1 0 310.466 4.198 20 30 DIEDRO C=C(C)C[N@H+](C/C(C)=C\c1ccccc1)Cc1ccc(CO)o1 ZINC000558409279 1043504242 /nfs/dbraw/zinc/50/42/42/1043504242.db2.gz QUEPQMKEAVRNFO-BOPFTXTBSA-N 1 0 311.425 4.254 20 30 DIEDRO C[N@H+](Cc1cccc(Br)c1)CC(C)(C)CCC#N ZINC000349676117 1043517323 /nfs/dbraw/zinc/51/73/23/1043517323.db2.gz CNCVUGXGSTWUNE-UHFFFAOYSA-N 1 0 309.251 4.211 20 30 DIEDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000349707772 1043518935 /nfs/dbraw/zinc/51/89/35/1043518935.db2.gz QAQSPYWOWVWQGQ-AEFFLSMTSA-N 1 0 300.446 4.380 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873168389 1043522135 /nfs/dbraw/zinc/52/21/35/1043522135.db2.gz APTBWRDBJMOMQR-UHFFFAOYSA-N 1 0 319.758 4.173 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccco1 ZINC000558508983 1043525037 /nfs/dbraw/zinc/52/50/37/1043525037.db2.gz LBKMKQHSNKNJRU-WSTZPKSXSA-N 1 0 311.425 4.043 20 30 DIEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000522039926 1043528473 /nfs/dbraw/zinc/52/84/73/1043528473.db2.gz VXENHGBJWGTOJZ-YCRPNKLZSA-N 1 0 320.436 4.023 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000522069972 1043530787 /nfs/dbraw/zinc/53/07/87/1043530787.db2.gz XRYRSMFOBXWXGC-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H](Cc1ccccn1)c1ccccc1 ZINC000926212213 1043546634 /nfs/dbraw/zinc/54/66/34/1043546634.db2.gz CHYJSXMGMVKVBO-QFBILLFUSA-N 1 0 307.441 4.283 20 30 DIEDRO C=C(C)[C@@H](N[C@H](C)c1cc(OC)ccn1)c1ccc(F)c(F)c1 ZINC000926206521 1043546687 /nfs/dbraw/zinc/54/66/87/1043546687.db2.gz NJRDRZCCPNSRRN-KZULUSFZSA-N 1 0 318.367 4.336 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926312943 1043561250 /nfs/dbraw/zinc/56/12/50/1043561250.db2.gz CJNKYDZNEMWYJN-MSOLQXFVSA-N 1 0 323.827 4.261 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc2ccccc2[nH]1 ZINC000926318233 1043561538 /nfs/dbraw/zinc/56/15/38/1043561538.db2.gz VKCXEWYWVWZXIN-DJJJIMSYSA-N 1 0 301.393 4.378 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000926343610 1043565144 /nfs/dbraw/zinc/56/51/44/1043565144.db2.gz PYIMXGOPQINGAF-GIVPXCGWSA-N 1 0 322.452 4.050 20 30 DIEDRO CCc1ccc([C@@H]([NH2+]CC2(CC#N)CC2)c2cccnc2)cc1 ZINC000926344668 1043567963 /nfs/dbraw/zinc/56/79/63/1043567963.db2.gz MGKFQOIKSSBVJC-LJQANCHMSA-N 1 0 305.425 4.017 20 30 DIEDRO Cc1ccc([C@H]([NH2+]CC2CCC(C#N)CC2)c2ccccn2)cc1 ZINC000926357273 1043569547 /nfs/dbraw/zinc/56/95/47/1043569547.db2.gz VVXFBBGCDCTBBL-NGICGMGXSA-N 1 0 319.452 4.399 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@]2(CCN(C)C2=O)CC1 ZINC001275119449 1043577484 /nfs/dbraw/zinc/57/74/84/1043577484.db2.gz SLOPBWCDLICALT-IBGZPJMESA-N 1 0 308.510 4.071 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000353107472 1043586294 /nfs/dbraw/zinc/58/62/94/1043586294.db2.gz FVRJLMGTWCARDZ-UHFFFAOYSA-N 1 0 312.457 4.428 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOc3c(Cl)cccc31)CC2 ZINC000353248058 1043593522 /nfs/dbraw/zinc/59/35/22/1043593522.db2.gz AJFUBUHUBXJSMA-ROUUACIJSA-N 1 0 324.811 4.312 20 30 DIEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC001307708979 1043600291 /nfs/dbraw/zinc/60/02/91/1043600291.db2.gz PNIXKVJPLYQWDU-XJKSGUPXSA-N 1 0 321.262 4.379 20 30 DIEDRO COc1ccc([C@@H](N[C@@H](C)CC(C)(C)C#N)c2ccco2)cc1 ZINC000926549985 1043599287 /nfs/dbraw/zinc/59/92/87/1043599287.db2.gz IEEFFYQZHNWZCL-KBXCAEBGSA-N 1 0 312.413 4.296 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC001307708976 1043599538 /nfs/dbraw/zinc/59/95/38/1043599538.db2.gz PNIXKVJPLYQWDU-CJNGLKHVSA-N 1 0 321.262 4.379 20 30 DIEDRO Cc1ccc(F)c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000353400616 1043604213 /nfs/dbraw/zinc/60/42/13/1043604213.db2.gz GHVBLPQQCBLGGC-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cnn(C2CCC2)c1 ZINC000926599400 1043605613 /nfs/dbraw/zinc/60/56/13/1043605613.db2.gz FYDBHFQTWKKLMK-VLIAUNLRSA-N 1 0 320.440 4.208 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc2c1OCO2 ZINC000926603528 1043605971 /nfs/dbraw/zinc/60/59/71/1043605971.db2.gz VIQPHACTZKEEFF-FZKQIMNGSA-N 1 0 320.392 4.015 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926603049 1043606348 /nfs/dbraw/zinc/60/63/48/1043606348.db2.gz RNJPCTNYMOWRGI-QZTJIDSGSA-N 1 0 323.827 4.261 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccnn1C1CCC1 ZINC000926603076 1043606363 /nfs/dbraw/zinc/60/63/63/1043606363.db2.gz SJYJCZCAFBVGOJ-AUUYWEPGSA-N 1 0 320.440 4.208 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(OC)n1 ZINC000926599011 1043606642 /nfs/dbraw/zinc/60/66/42/1043606642.db2.gz DGMWDXGSEYYOOI-MSOLQXFVSA-N 1 0 321.424 4.080 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(OC)cc1 ZINC000353410629 1043607508 /nfs/dbraw/zinc/60/75/08/1043607508.db2.gz IJRRJVJRDVLMIV-PMACEKPBSA-N 1 0 306.409 4.295 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926611062 1043608036 /nfs/dbraw/zinc/60/80/36/1043608036.db2.gz IITJQUCAYCZULH-NHCYSSNCSA-N 1 0 305.365 4.009 20 30 DIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccsc1C ZINC000353467328 1043609011 /nfs/dbraw/zinc/60/90/11/1043609011.db2.gz BEBQKSNRIBDRPY-UHFFFAOYSA-N 1 0 303.475 4.412 20 30 DIEDRO C[C@@H]1CCCCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000353513044 1043611696 /nfs/dbraw/zinc/61/16/96/1043611696.db2.gz VVGSOJSFZVHSSG-QGZVFWFLSA-N 1 0 322.456 4.228 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cnn(C2CCC2)c1 ZINC000926671131 1043614810 /nfs/dbraw/zinc/61/48/10/1043614810.db2.gz MLVDKJUZYAOMEL-OAHLLOKOSA-N 1 0 320.440 4.210 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000926678281 1043615648 /nfs/dbraw/zinc/61/56/48/1043615648.db2.gz QMJWZFFNVAOMKC-CABCVRRESA-N 1 0 319.880 4.084 20 30 DIEDRO CO[C@@H](C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000558853032 1043618855 /nfs/dbraw/zinc/61/88/55/1043618855.db2.gz OWNHBPBETGHZEH-NRFANRHFSA-N 1 0 318.420 4.035 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)ccc1C#N ZINC000353655414 1043630136 /nfs/dbraw/zinc/63/01/36/1043630136.db2.gz GBQAXYDPXOBCHV-LJQANCHMSA-N 1 0 310.397 4.099 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@H](C)c1cc(OC)no1)c1ccccc1 ZINC000926856753 1043643610 /nfs/dbraw/zinc/64/36/10/1043643610.db2.gz YYPVKPAROQHDHL-ZBFHGGJFSA-N 1 0 300.402 4.431 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1C#N ZINC000926867322 1043646330 /nfs/dbraw/zinc/64/63/30/1043646330.db2.gz CAESGYFMSFOVKE-IBGZPJMESA-N 1 0 323.465 4.306 20 30 DIEDRO Cc1cccc(CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000353871900 1043652456 /nfs/dbraw/zinc/65/24/56/1043652456.db2.gz UTNDMZKSJISZFE-OAQYLSRUSA-N 1 0 319.452 4.252 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccccc1-n1cccn1 ZINC001137099202 1043655460 /nfs/dbraw/zinc/65/54/60/1043655460.db2.gz CFKDNBBODGOVJM-UHFFFAOYSA-N 1 0 317.436 4.451 20 30 DIEDRO Cc1nn(C(C)C)cc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353915290 1043656653 /nfs/dbraw/zinc/65/66/53/1043656653.db2.gz NDFXCGSPOJEDJK-LJQANCHMSA-N 1 0 310.445 4.297 20 30 DIEDRO CC(C)(C)n1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353916210 1043657115 /nfs/dbraw/zinc/65/71/15/1043657115.db2.gz OXPLMJKUCIRIKO-SFHVURJKSA-N 1 0 310.445 4.163 20 30 DIEDRO CCN(C)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353915920 1043657344 /nfs/dbraw/zinc/65/73/44/1043657344.db2.gz ONWAVMCPPWWSSB-IBGZPJMESA-N 1 0 322.456 4.062 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000353918020 1043657394 /nfs/dbraw/zinc/65/73/94/1043657394.db2.gz WWLDFRMHUXCHTK-OAHLLOKOSA-N 1 0 315.398 4.181 20 30 DIEDRO Cc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cc1C#N ZINC000926967107 1043663229 /nfs/dbraw/zinc/66/32/29/1043663229.db2.gz ZYSLZJDRTYRCAW-HNNXBMFYSA-N 1 0 316.326 4.061 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cc1C#N ZINC000926967109 1043663937 /nfs/dbraw/zinc/66/39/37/1043663937.db2.gz ZYSLZJDRTYRCAW-OAHLLOKOSA-N 1 0 316.326 4.061 20 30 DIEDRO CCC[N@H+](CCCc1ccc(C)nc1)Cc1ccc(C#N)cc1 ZINC000474150174 1043664813 /nfs/dbraw/zinc/66/48/13/1043664813.db2.gz MYGFSEAOMHWEAC-UHFFFAOYSA-N 1 0 307.441 4.107 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc(C#N)cc1 ZINC000926973308 1043665200 /nfs/dbraw/zinc/66/52/00/1043665200.db2.gz KNIFRKZWXALSOE-FSPWUOQZSA-N 1 0 312.363 4.258 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000927037051 1043670653 /nfs/dbraw/zinc/67/06/53/1043670653.db2.gz MHSDJNDPHGEDDT-GXTWGEPZSA-N 1 0 304.434 4.166 20 30 DIEDRO COc1ccc(CCC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000559049077 1043677904 /nfs/dbraw/zinc/67/79/04/1043677904.db2.gz AMYZUOYISWOGAH-RTBURBONSA-N 1 0 312.457 4.032 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C2CCC2)cc1 ZINC000927065320 1043679516 /nfs/dbraw/zinc/67/95/16/1043679516.db2.gz CSQLIIUBFLYYGY-VBKZILBWSA-N 1 0 321.424 4.154 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC001252986609 1043692172 /nfs/dbraw/zinc/69/21/72/1043692172.db2.gz NJXINEZJFNPZQR-OTWHNJEPSA-N 1 0 313.526 4.019 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(CCN(CC=C(C)C)C2=O)CC1 ZINC001275325364 1043698308 /nfs/dbraw/zinc/69/83/08/1043698308.db2.gz MYQNBGBSQROXKJ-UHFFFAOYSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@]2(CCN(CC(C)C)C2=O)CC1 ZINC001275328902 1043700239 /nfs/dbraw/zinc/70/02/39/1043700239.db2.gz GJETULRWAXNHLM-FQEVSTJZSA-N 1 0 320.521 4.093 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@]2(CCN(CC(=C)C)C2=O)CC1 ZINC001275329331 1043700671 /nfs/dbraw/zinc/70/06/71/1043700671.db2.gz SKTKBGVNTSRFGR-FQEVSTJZSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@]2(CCN(CC(C)C)C2=O)CC1 ZINC001275328903 1043701069 /nfs/dbraw/zinc/70/10/69/1043701069.db2.gz GJETULRWAXNHLM-HXUWFJFHSA-N 1 0 320.521 4.093 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1 ZINC000559130438 1043702055 /nfs/dbraw/zinc/70/20/55/1043702055.db2.gz RUWHMSKHALNUNF-ILXRZTDVSA-N 1 0 311.454 4.168 20 30 DIEDRO C=CCOCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000559147030 1043704127 /nfs/dbraw/zinc/70/41/27/1043704127.db2.gz KDMMPUQVUAHMAW-MRXNPFEDSA-N 1 0 324.262 4.083 20 30 DIEDRO C#CCCCCCC[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000876794964 1043710393 /nfs/dbraw/zinc/71/03/93/1043710393.db2.gz HZHZTLXPSOIRER-HRAATJIYSA-N 1 0 305.487 4.001 20 30 DIEDRO Cc1ccc(CCC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000474278134 1043724635 /nfs/dbraw/zinc/72/46/35/1043724635.db2.gz VQOLCRSSJCZIIN-SFTDATJTSA-N 1 0 319.452 4.094 20 30 DIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H](C)CCC#N)CCCC2 ZINC000895656771 1043727007 /nfs/dbraw/zinc/72/70/07/1043727007.db2.gz TXYFSEWKTYTBBX-WMLDXEAASA-N 1 0 316.445 4.001 20 30 DIEDRO C[C@@H](CC[N@H+](CCC#N)CC(C)(C)C)OCc1ccccc1 ZINC000354917511 1043728448 /nfs/dbraw/zinc/72/84/48/1043728448.db2.gz MMNWYQZADBWUGD-KRWDZBQOSA-N 1 0 302.462 4.244 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)CCOCc1ccccc1)c1ccncc1 ZINC000877046732 1043737719 /nfs/dbraw/zinc/73/77/19/1043737719.db2.gz RMMRBAYFBPICFC-YLJYHZDGSA-N 1 0 310.441 4.284 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)CC[P@](C)(=O)OCC)c1ccccc1 ZINC000877119518 1043744818 /nfs/dbraw/zinc/74/48/18/1043744818.db2.gz GYASRRWNAYQNRL-LDBYXDLTSA-N 1 0 307.374 4.064 20 30 DIEDRO N#CC1CCC([NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000877381053 1043760022 /nfs/dbraw/zinc/76/00/22/1043760022.db2.gz ZGXIJBBMRHFAOE-LFNLJPBCSA-N 1 0 320.436 4.059 20 30 DIEDRO Cc1cccc([C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C(C)C)c1 ZINC000877656303 1043785211 /nfs/dbraw/zinc/78/52/11/1043785211.db2.gz DKLJQPCZSLLDAV-QGZVFWFLSA-N 1 0 313.832 4.402 20 30 DIEDRO CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]C1CCC(C#N)CC1 ZINC000877684578 1043790318 /nfs/dbraw/zinc/79/03/18/1043790318.db2.gz XTRFYIZTPYNTEK-NXYGQSRBSA-N 1 0 309.457 4.171 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000877759574 1043795626 /nfs/dbraw/zinc/79/56/26/1043795626.db2.gz SEFOMWCCLCQPQG-XYPHTWIQSA-N 1 0 306.837 4.090 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000267682047 1043797473 /nfs/dbraw/zinc/79/74/73/1043797473.db2.gz PMFDZKWSRDPLTJ-VBKZILBWSA-N 1 0 306.409 4.295 20 30 DIEDRO CC1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC(F)(F)C1 ZINC000877834794 1043802424 /nfs/dbraw/zinc/80/24/24/1043802424.db2.gz ZGZGVAQVPHKEKJ-UHFFFAOYSA-N 1 0 304.384 4.168 20 30 DIEDRO COCC[N@H+](CC1CCC(C#N)CC1)[C@@H](C)c1ccccc1 ZINC000929391220 1043812732 /nfs/dbraw/zinc/81/27/32/1043812732.db2.gz DLXDMVVBMQMNTN-AOCRQIFASA-N 1 0 300.446 4.026 20 30 DIEDRO C[C@H](c1ccccc1)N(Cc1nc(C#N)cs1)CC1CCC1 ZINC000356133445 1043814779 /nfs/dbraw/zinc/81/47/79/1043814779.db2.gz XOWBZEASWMOGEM-CQSZACIVSA-N 1 0 311.454 4.378 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000356291028 1043829485 /nfs/dbraw/zinc/82/94/85/1043829485.db2.gz ZUXXYFGLAFEFJE-IBGZPJMESA-N 1 0 310.441 4.134 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000929656713 1043831519 /nfs/dbraw/zinc/83/15/19/1043831519.db2.gz QJVFKVCRHLTLIK-HTWSVDAQSA-N 1 0 300.471 4.106 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@H+](C1CC1)C1CCCCC1)c1ccccc1 ZINC000877965383 1043834396 /nfs/dbraw/zinc/83/43/96/1043834396.db2.gz VNHZLNYSYNSWFR-NRFANRHFSA-N 1 0 324.468 4.224 20 30 DIEDRO Cc1ccccc1[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000929709751 1043836725 /nfs/dbraw/zinc/83/67/25/1043836725.db2.gz VBVRPBKBXHQPHE-LJQANCHMSA-N 1 0 312.457 4.233 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000929757573 1043839658 /nfs/dbraw/zinc/83/96/58/1043839658.db2.gz TVMNJVBKGILUCD-TZJYRCSTSA-N 1 0 307.441 4.088 20 30 DIEDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356414696 1043840464 /nfs/dbraw/zinc/84/04/64/1043840464.db2.gz OBYZMHYPYVHWMG-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO CC[C@@H]1CCCCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878123534 1043851092 /nfs/dbraw/zinc/85/10/92/1043851092.db2.gz BBWJJMSGEBIWKF-WOJBJXKFSA-N 1 0 312.457 4.082 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]Cc1c(C)cc(C#N)cc1C)C(C)C ZINC000929982271 1043862060 /nfs/dbraw/zinc/86/20/60/1043862060.db2.gz SGYQUSRZZWTOSN-IBGZPJMESA-N 1 0 307.441 4.365 20 30 DIEDRO N#CC1CCC(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000929969506 1043863695 /nfs/dbraw/zinc/86/36/95/1043863695.db2.gz BQQWZILOXXCCOO-UHFFFAOYSA-N 1 0 322.456 4.072 20 30 DIEDRO N#CC1(CCCC[NH2+]C2(c3ccccc3)CCOCC2)CCC1 ZINC000929980596 1043864251 /nfs/dbraw/zinc/86/42/51/1043864251.db2.gz WCBLZYBOCWUDHJ-UHFFFAOYSA-N 1 0 312.457 4.146 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccccc1 ZINC000878367648 1043880373 /nfs/dbraw/zinc/88/03/73/1043880373.db2.gz AGYOMBRBZRGUJS-MOPGFXCFSA-N 1 0 315.457 4.012 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C[C@H]3CC[C@@H](c4ccccc4)O3)CC2)c1 ZINC000878364176 1043880826 /nfs/dbraw/zinc/88/08/26/1043880826.db2.gz DZMQIVXTYOXWHJ-UXHICEINSA-N 1 0 318.420 4.057 20 30 DIEDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930126200 1043882983 /nfs/dbraw/zinc/88/29/83/1043882983.db2.gz MAXZGWLRLXLZNT-MRXNPFEDSA-N 1 0 300.450 4.028 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000453348126 1043891954 /nfs/dbraw/zinc/89/19/54/1043891954.db2.gz KUHVDOBALWYHBZ-KFWWJZLASA-N 1 0 309.862 4.200 20 30 DIEDRO C#CCCCCC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000878427701 1043893704 /nfs/dbraw/zinc/89/37/04/1043893704.db2.gz NQYMWYGCUBGPIQ-RBUKOAKNSA-N 1 0 303.421 4.171 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000930208507 1043894434 /nfs/dbraw/zinc/89/44/34/1043894434.db2.gz QZVCAWJNJWKBRB-CQSZACIVSA-N 1 0 301.390 4.110 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474714405 1043900356 /nfs/dbraw/zinc/90/03/56/1043900356.db2.gz ZPXPTQURFVTNAP-GJZGRUSLSA-N 1 0 306.881 4.072 20 30 DIEDRO C[C@H]([NH2+]CCCCC1(C#N)CCC1)c1ccccc1[N+](=O)[O-] ZINC000930236517 1043901426 /nfs/dbraw/zinc/90/14/26/1043901426.db2.gz XMUBTALYXZJDTI-AWEZNQCLSA-N 1 0 301.390 4.110 20 30 DIEDRO N#Cc1cncc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000930233441 1043902014 /nfs/dbraw/zinc/90/20/14/1043902014.db2.gz QMLILIDACDUWLG-IBGZPJMESA-N 1 0 309.388 4.113 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)cc1 ZINC000930238402 1043903900 /nfs/dbraw/zinc/90/39/00/1043903900.db2.gz NZPXFDJGCPODDW-UUWFMWQGSA-N 1 0 311.816 4.094 20 30 DIEDRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C)c(C#N)c2)c1 ZINC001308517371 1043912103 /nfs/dbraw/zinc/91/21/03/1043912103.db2.gz DBWOHGFRUHQNKP-UHFFFAOYSA-N 1 0 316.351 4.066 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000561278745 1043918007 /nfs/dbraw/zinc/91/80/07/1043918007.db2.gz SHBOPAFVEHXRKI-KKUMJFAQSA-N 1 0 301.409 4.263 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@@H]1C1CCC1)c1ccccc1 ZINC000878771568 1043918179 /nfs/dbraw/zinc/91/81/79/1043918179.db2.gz OYPJGCSWIWRNEV-NHCUHLMSSA-N 1 0 324.468 4.082 20 30 DIEDRO CC(C)Oc1cccc(CN(C)Cc2cccc(F)c2C#N)c1 ZINC000428304329 1043933203 /nfs/dbraw/zinc/93/32/03/1043933203.db2.gz UKSLNNQWKHXUEM-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878992267 1043933995 /nfs/dbraw/zinc/93/39/95/1043933995.db2.gz WSFUORIOPHSPRU-SOUVJXGZSA-N 1 0 318.848 4.158 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000561349739 1043934772 /nfs/dbraw/zinc/93/47/72/1043934772.db2.gz XJAAUCCTMCZGIE-NRSPTQNISA-N 1 0 302.421 4.098 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)[C@@H]1OCCc2sccc21 ZINC000930558381 1043940724 /nfs/dbraw/zinc/94/07/24/1043940724.db2.gz CXKYCPKPMFPZNF-PBHICJAKSA-N 1 0 318.486 4.204 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000561455665 1043953432 /nfs/dbraw/zinc/95/34/32/1043953432.db2.gz KGXZJNYWDYABJZ-HBGVWJBISA-N 1 0 320.436 4.438 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000930695132 1043956490 /nfs/dbraw/zinc/95/64/90/1043956490.db2.gz GRYBWBPJCZQTLG-CQSZACIVSA-N 1 0 313.832 4.108 20 30 DIEDRO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433940 1043965759 /nfs/dbraw/zinc/96/57/59/1043965759.db2.gz KUAMCCHPVBCOOD-AWEZNQCLSA-N 1 0 311.429 4.079 20 30 DIEDRO CC[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(OC)c1OC ZINC000879466949 1043967479 /nfs/dbraw/zinc/96/74/79/1043967479.db2.gz YFZDMQLTAXWRMZ-INIZCTEOSA-N 1 0 318.461 4.465 20 30 DIEDRO CC(C)([NH2+]Cc1cccc(C#N)c1)c1cccc(Cl)c1F ZINC000185850158 1044004730 /nfs/dbraw/zinc/00/47/30/1044004730.db2.gz XIHCRWKGFZZSOE-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000561796429 1044007648 /nfs/dbraw/zinc/00/76/48/1044007648.db2.gz BQCPQUVYGQQYFY-OKILXGFUSA-N 1 0 314.326 4.250 20 30 DIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(C(F)(F)F)nc1 ZINC000880098798 1044012486 /nfs/dbraw/zinc/01/24/86/1044012486.db2.gz UAHUTNMPTJYQJT-GFCCVEGCSA-N 1 0 313.367 4.471 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000880103687 1044014747 /nfs/dbraw/zinc/01/47/47/1044014747.db2.gz XRSOWJOHQRLXIS-LBPRGKRZSA-N 1 0 319.330 4.017 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880576895 1044048686 /nfs/dbraw/zinc/04/86/86/1044048686.db2.gz FNFDTJZHNRZEJC-SFHVURJKSA-N 1 0 306.494 4.235 20 30 DIEDRO N#CCC[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1 ZINC000358344599 1044056963 /nfs/dbraw/zinc/05/69/63/1044056963.db2.gz KURGZEGDEFXVEI-IBGZPJMESA-N 1 0 312.457 4.360 20 30 DIEDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000562082401 1044062234 /nfs/dbraw/zinc/06/22/34/1044062234.db2.gz HBZIKPGXSJCYCK-LZLYRXPVSA-N 1 0 300.471 4.199 20 30 DIEDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000562082395 1044063242 /nfs/dbraw/zinc/06/32/42/1044063242.db2.gz HBZIKPGXSJCYCK-JFIYKMOQSA-N 1 0 300.471 4.199 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(c3cccc(Cl)c3)CC1)CC2 ZINC000562099447 1044064734 /nfs/dbraw/zinc/06/47/34/1044064734.db2.gz FKRTXSMYOAYCMZ-SFHVURJKSA-N 1 0 308.812 4.478 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931797262 1044073766 /nfs/dbraw/zinc/07/37/66/1044073766.db2.gz ULPORMJEXBGENY-LJQANCHMSA-N 1 0 322.456 4.077 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)ccc1C#N ZINC000443973117 1044077228 /nfs/dbraw/zinc/07/72/28/1044077228.db2.gz YBQVEPVELFJRQA-QGZVFWFLSA-N 1 0 312.800 4.134 20 30 DIEDRO N#CCCCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000358752356 1044097632 /nfs/dbraw/zinc/09/76/32/1044097632.db2.gz PFHALGKRTXZTLB-HNNXBMFYSA-N 1 0 307.235 4.110 20 30 DIEDRO N#CCCCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000358752369 1044097737 /nfs/dbraw/zinc/09/77/37/1044097737.db2.gz PFHALGKRTXZTLB-OAHLLOKOSA-N 1 0 307.235 4.110 20 30 DIEDRO C=CCCCCC[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000562350819 1044103034 /nfs/dbraw/zinc/10/30/34/1044103034.db2.gz WAXAEGAQWDOTHC-OAHLLOKOSA-N 1 0 315.461 4.368 20 30 DIEDRO N#CC1(CCCC[N@@H+]2CCC[C@@H](Cc3nccs3)C2)CCC1 ZINC000932194140 1044107529 /nfs/dbraw/zinc/10/75/29/1044107529.db2.gz MKXYKPBIRVJUHR-INIZCTEOSA-N 1 0 317.502 4.262 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(C#N)c(F)c1 ZINC000359024202 1044122526 /nfs/dbraw/zinc/12/25/26/1044122526.db2.gz AVZOBLFUHGQKSS-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000281394377 1044127590 /nfs/dbraw/zinc/12/75/90/1044127590.db2.gz YHIXHYLBWWWLCX-KZULUSFZSA-N 1 0 310.372 4.044 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(F)ccc1OC ZINC000932467722 1044131167 /nfs/dbraw/zinc/13/11/67/1044131167.db2.gz DGQVEPIUZQVOIG-GOSISDBHSA-N 1 0 312.388 4.141 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(F)ccc1OC ZINC000932467724 1044131524 /nfs/dbraw/zinc/13/15/24/1044131524.db2.gz DGQVEPIUZQVOIG-SFHVURJKSA-N 1 0 312.388 4.141 20 30 DIEDRO COCC[N@H+](CCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000346778400 1044141239 /nfs/dbraw/zinc/14/12/39/1044141239.db2.gz INCRNXMWNZNUBW-ZDUSSCGKSA-N 1 0 314.351 4.019 20 30 DIEDRO N#CCCC[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000346803432 1044142573 /nfs/dbraw/zinc/14/25/73/1044142573.db2.gz VZJSKBBQXPZFTH-HXUWFJFHSA-N 1 0 319.383 4.357 20 30 DIEDRO C[C@@H]([NH2+]CCCC#N)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000346823635 1044146295 /nfs/dbraw/zinc/14/62/95/1044146295.db2.gz HLHHQGIBGTWGSV-MNOVXSKESA-N 1 0 301.217 4.043 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)cc1 ZINC000129455808 1044151806 /nfs/dbraw/zinc/15/18/06/1044151806.db2.gz QWBCCGJWONOIHF-YWZLYKJASA-N 1 0 320.436 4.490 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)cc1 ZINC000129455373 1044152420 /nfs/dbraw/zinc/15/24/20/1044152420.db2.gz QWBCCGJWONOIHF-MGPUTAFESA-N 1 0 320.436 4.490 20 30 DIEDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000359295141 1044152351 /nfs/dbraw/zinc/15/23/51/1044152351.db2.gz OIOHBLHMDXRJLI-XLIONFOSSA-N 1 0 312.457 4.381 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)cc1 ZINC000129456029 1044152766 /nfs/dbraw/zinc/15/27/66/1044152766.db2.gz QWBCCGJWONOIHF-QRWLVFNGSA-N 1 0 320.436 4.490 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000562764637 1044155446 /nfs/dbraw/zinc/15/54/46/1044155446.db2.gz SZYVNHJMJAPHBT-QKLQHJQFSA-N 1 0 304.437 4.489 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OC ZINC000129505119 1044159021 /nfs/dbraw/zinc/15/90/21/1044159021.db2.gz WBNLWDVNGGUDSB-CRAIPNDOSA-N 1 0 324.424 4.227 20 30 DIEDRO C#C[C@@H]([NH2+]CC1CCCCC1)c1ccc(Br)cc1 ZINC001308783786 1044187679 /nfs/dbraw/zinc/18/76/79/1044187679.db2.gz DAUYIBQCOFAPAJ-MRXNPFEDSA-N 1 0 306.247 4.293 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)CC1CCCCC1 ZINC000444087303 1044187674 /nfs/dbraw/zinc/18/76/74/1044187674.db2.gz ZKFUMYIQGFHFAB-UHFFFAOYSA-N 1 0 314.473 4.392 20 30 DIEDRO C[C@@H](c1cccc2ccccc21)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653947 1044202935 /nfs/dbraw/zinc/20/29/35/1044202935.db2.gz ZDWSRXGHMIQZQL-INIZCTEOSA-N 1 0 321.420 4.239 20 30 DIEDRO Cc1cc(C)c([C@@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)c(C)c1 ZINC000933649770 1044203072 /nfs/dbraw/zinc/20/30/72/1044203072.db2.gz UKMBWGJZGDGBTA-QGZVFWFLSA-N 1 0 313.441 4.011 20 30 DIEDRO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653479 1044204360 /nfs/dbraw/zinc/20/43/60/1044204360.db2.gz UNBYCYIZYZFCRE-INIZCTEOSA-N 1 0 321.420 4.239 20 30 DIEDRO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651342 1044204448 /nfs/dbraw/zinc/20/44/48/1044204448.db2.gz DRIKDHKTFGYCNQ-KRWDZBQOSA-N 1 0 319.832 4.129 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000130488635 1044205654 /nfs/dbraw/zinc/20/56/54/1044205654.db2.gz GVPGDXXMVIZHRR-OXJNMPFZSA-N 1 0 319.408 4.112 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000130600961 1044210126 /nfs/dbraw/zinc/21/01/26/1044210126.db2.gz CGIPQALFLBGLOL-VIFPVBQESA-N 1 0 308.141 4.265 20 30 DIEDRO C=CCC1(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CCC1 ZINC000359943548 1044218715 /nfs/dbraw/zinc/21/87/15/1044218715.db2.gz QFPHJUCFOMKMNF-UHFFFAOYSA-N 1 0 312.457 4.008 20 30 DIEDRO C=CCC1([NH2+]Cc2nc(C)c(Br)s2)CCCC1 ZINC000719258990 1044219079 /nfs/dbraw/zinc/21/90/79/1044219079.db2.gz NWPFWFLOMQBDOF-UHFFFAOYSA-N 1 0 315.280 4.193 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC3(CCCC3)C2)c(Br)c1 ZINC000778221242 1044223483 /nfs/dbraw/zinc/22/34/83/1044223483.db2.gz QRFYCRSBAQSLEL-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000348225534 1044226971 /nfs/dbraw/zinc/22/69/71/1044226971.db2.gz AWRYXMBJIHBQQV-GOSISDBHSA-N 1 0 311.404 4.230 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccccc1 ZINC000883170338 1044227862 /nfs/dbraw/zinc/22/78/62/1044227862.db2.gz RFEJBFWROLWPKH-LJQANCHMSA-N 1 0 323.440 4.364 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)[C@@H]1CCCO1 ZINC000883178087 1044229112 /nfs/dbraw/zinc/22/91/12/1044229112.db2.gz OQQLCZOYCFFEHB-CABCVRRESA-N 1 0 318.442 4.007 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000883216911 1044236902 /nfs/dbraw/zinc/23/69/02/1044236902.db2.gz XVXNYCDNLZMOEY-FYQPLNBISA-N 1 0 315.457 4.010 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)[C@@H]1CCCO1 ZINC000883227882 1044238750 /nfs/dbraw/zinc/23/87/50/1044238750.db2.gz AEFZZXJRAKZIPS-WCXIOVBPSA-N 1 0 321.486 4.072 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](C)OC)c1ccc(C(F)(F)F)cc1 ZINC000360210046 1044245464 /nfs/dbraw/zinc/24/54/64/1044245464.db2.gz UMGOOHRFFHHPGA-WFASDCNBSA-N 1 0 301.352 4.337 20 30 DIEDRO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000883259486 1044249694 /nfs/dbraw/zinc/24/96/94/1044249694.db2.gz OBKWBLLTUREABN-UHFFFAOYSA-N 1 0 320.845 4.350 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC[C@H]3CCCC3(F)F)cc2)CC1 ZINC000883265097 1044252440 /nfs/dbraw/zinc/25/24/40/1044252440.db2.gz RWWUHEPVGMKDEM-MRXNPFEDSA-N 1 0 304.384 4.157 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)CCC(C)(C)C)cc(OC)c1O ZINC000522961964 1044253559 /nfs/dbraw/zinc/25/35/59/1044253559.db2.gz PJDCDHFQUJNLPR-AWEZNQCLSA-N 1 0 305.462 4.434 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000293273495 1044266257 /nfs/dbraw/zinc/26/62/57/1044266257.db2.gz CKFAPEAZFAKZLJ-KUHUBIRLSA-N 1 0 322.408 4.147 20 30 DIEDRO C=CCCCCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000563482367 1044269573 /nfs/dbraw/zinc/26/95/73/1044269573.db2.gz LRAWUMROBAXEFY-ZWKOTPCHSA-N 1 0 308.416 4.046 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC000934695328 1044270763 /nfs/dbraw/zinc/27/07/63/1044270763.db2.gz AQIZVOIOFUBHQY-LJQANCHMSA-N 1 0 305.425 4.124 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(O)ccc1Cl ZINC000883326242 1044274358 /nfs/dbraw/zinc/27/43/58/1044274358.db2.gz WMPSBQTYRDNQFI-GOSISDBHSA-N 1 0 312.800 4.084 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)c1ccccc1 ZINC000883324752 1044275003 /nfs/dbraw/zinc/27/50/03/1044275003.db2.gz CDUFRKSJMZVSQR-WMLDXEAASA-N 1 0 316.470 4.384 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC3(CCC3)O2)CC1 ZINC000883356804 1044282067 /nfs/dbraw/zinc/28/20/67/1044282067.db2.gz WEIFBISUMQTIBH-IOJLRTSASA-N 1 0 324.468 4.082 20 30 DIEDRO CO[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000360655122 1044297012 /nfs/dbraw/zinc/29/70/12/1044297012.db2.gz BSSVZRFAPYBVBP-NHCUHLMSSA-N 1 0 320.436 4.303 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000186174029 1044300869 /nfs/dbraw/zinc/30/08/69/1044300869.db2.gz SGFZXSILLKLPCA-MRXNPFEDSA-N 1 0 303.409 4.321 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000523009248 1044307768 /nfs/dbraw/zinc/30/77/68/1044307768.db2.gz TYBVQGYXIIUNQE-SFHVURJKSA-N 1 0 310.397 4.147 20 30 DIEDRO Cc1cccc(C)c1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000132117434 1044314911 /nfs/dbraw/zinc/31/49/11/1044314911.db2.gz TZBOPJPPNWUKGX-UHFFFAOYSA-N 1 0 308.425 4.276 20 30 DIEDRO COCc1ccccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360834497 1044315201 /nfs/dbraw/zinc/31/52/01/1044315201.db2.gz IPGJBFRDDFEFTO-NRFANRHFSA-N 1 0 320.436 4.262 20 30 DIEDRO COCc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360838841 1044317453 /nfs/dbraw/zinc/31/74/53/1044317453.db2.gz VNJDISWVFIKEBX-OAQYLSRUSA-N 1 0 320.436 4.262 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000360842507 1044317468 /nfs/dbraw/zinc/31/74/68/1044317468.db2.gz WXMVLZOAOZSGFE-FQEVSTJZSA-N 1 0 306.409 4.124 20 30 DIEDRO COCC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccco1 ZINC000360870697 1044319157 /nfs/dbraw/zinc/31/91/57/1044319157.db2.gz IBWSJMSKUBHEGA-MOPGFXCFSA-N 1 0 324.424 4.286 20 30 DIEDRO CCOC1CC(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360881727 1044321747 /nfs/dbraw/zinc/32/17/47/1044321747.db2.gz ASGJAOOQZJUDII-UPQHMETBSA-N 1 0 312.457 4.121 20 30 DIEDRO COc1cnccc1[C@@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360872743 1044323021 /nfs/dbraw/zinc/32/30/21/1044323021.db2.gz OBAQUJSMYXZDTI-KUHUBIRLSA-N 1 0 321.424 4.080 20 30 DIEDRO CC1(C)CC[C@@H]([NH2+]CCCC#N)c2cc(Br)ccc21 ZINC000360888297 1044325420 /nfs/dbraw/zinc/32/54/20/1044325420.db2.gz ZNHVZPZKHXDIIV-OAHLLOKOSA-N 1 0 321.262 4.455 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000609741578 1044330602 /nfs/dbraw/zinc/33/06/02/1044330602.db2.gz ROWYJMUKPURGDD-LBPRGKRZSA-N 1 0 302.399 4.378 20 30 DIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186293110 1044341014 /nfs/dbraw/zinc/34/10/14/1044341014.db2.gz XWMQSWSKSAIQRW-QGZVFWFLSA-N 1 0 311.454 4.141 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000475307669 1044350683 /nfs/dbraw/zinc/35/06/83/1044350683.db2.gz FPYAPKHIVNHVAD-VWKPWSFCSA-N 1 0 320.436 4.443 20 30 DIEDRO C=C(CC)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000564162725 1044351015 /nfs/dbraw/zinc/35/10/15/1044351015.db2.gz BLXPDTPRCZCSFE-UHFFFAOYSA-N 1 0 313.363 4.267 20 30 DIEDRO CCCCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935623679 1044352943 /nfs/dbraw/zinc/35/29/43/1044352943.db2.gz GEUDWVDSDICFJF-LJQANCHMSA-N 1 0 316.489 4.128 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2OC)CC1 ZINC000361221353 1044374704 /nfs/dbraw/zinc/37/47/04/1044374704.db2.gz RQDMVSIHJOQQLU-QGZVFWFLSA-N 1 0 322.880 4.040 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2OC)CC1 ZINC000361221352 1044375106 /nfs/dbraw/zinc/37/51/06/1044375106.db2.gz RQDMVSIHJOQQLU-KRWDZBQOSA-N 1 0 322.880 4.040 20 30 DIEDRO C=CCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccccc1 ZINC000936034559 1044381852 /nfs/dbraw/zinc/38/18/52/1044381852.db2.gz QHWONWZFXOGTLJ-UHFFFAOYSA-N 1 0 324.424 4.098 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000186376340 1044404098 /nfs/dbraw/zinc/40/40/98/1044404098.db2.gz OWRNEAVYOGDWJC-KRWDZBQOSA-N 1 0 319.452 4.351 20 30 DIEDRO CC(C)OCc1ccccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000565626436 1044448142 /nfs/dbraw/zinc/44/81/42/1044448142.db2.gz NMZODNMSWZQELT-OAQYLSRUSA-N 1 0 320.436 4.260 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000565745951 1044454254 /nfs/dbraw/zinc/45/42/54/1044454254.db2.gz PXGCSGSUBNNGDS-SCLBCKFNSA-N 1 0 321.380 4.113 20 30 DIEDRO CC(C)(CC#N)CS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000565844949 1044459455 /nfs/dbraw/zinc/45/94/55/1044459455.db2.gz GDLKILBIESAPNF-KRWDZBQOSA-N 1 0 302.487 4.324 20 30 DIEDRO CC(=O)c1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000294779489 1044459816 /nfs/dbraw/zinc/45/98/16/1044459816.db2.gz AKYGTUSGOKPSFJ-UHFFFAOYSA-N 1 0 306.409 4.171 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(C)c1O ZINC000565860205 1044460878 /nfs/dbraw/zinc/46/08/78/1044460878.db2.gz LYLCWVGZXHUIIO-PMACEKPBSA-N 1 0 320.436 4.281 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000840887782 1044469095 /nfs/dbraw/zinc/46/90/95/1044469095.db2.gz PJGVIZXKUPLXGM-XLIONFOSSA-N 1 0 320.436 4.427 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000840887780 1044469297 /nfs/dbraw/zinc/46/92/97/1044469297.db2.gz PJGVIZXKUPLXGM-FXAWDEMLSA-N 1 0 320.436 4.427 20 30 DIEDRO N#CCC[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000362033082 1044471906 /nfs/dbraw/zinc/47/19/06/1044471906.db2.gz SCGMZFJDMVEEGD-PKOBYXMFSA-N 1 0 306.409 4.187 20 30 DIEDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)CCCO2 ZINC000566219325 1044478258 /nfs/dbraw/zinc/47/82/58/1044478258.db2.gz DTYPQIZKMAYOGI-FQEVSTJZSA-N 1 0 320.436 4.373 20 30 DIEDRO CC#CCC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000566642379 1044504031 /nfs/dbraw/zinc/50/40/31/1044504031.db2.gz FMNGDVSHJDLCKP-UHFFFAOYSA-N 1 0 316.857 4.235 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000186608726 1044511132 /nfs/dbraw/zinc/51/11/32/1044511132.db2.gz RKDWOXKMDMYYBP-OAHLLOKOSA-N 1 0 304.393 4.114 20 30 DIEDRO Cc1cc2ccc(Cl)cc2nc1N=NC1CCC[N@@H+](C)CC1 ZINC000778551965 1044514307 /nfs/dbraw/zinc/51/43/07/1044514307.db2.gz OVWZBUGMPPDANM-UHFFFAOYSA-N 1 0 316.836 4.080 20 30 DIEDRO C=CCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001625948707 1044535595 /nfs/dbraw/zinc/53/55/95/1044535595.db2.gz NSRUBFIIEIKSOO-UHFFFAOYSA-N 1 0 314.473 4.459 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000567225236 1044550662 /nfs/dbraw/zinc/55/06/62/1044550662.db2.gz BRGGXEHNXMYKGE-SFTDATJTSA-N 1 0 318.420 4.295 20 30 DIEDRO N#CCCC1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000567271817 1044553360 /nfs/dbraw/zinc/55/33/60/1044553360.db2.gz YKAOPVVGDOFIJJ-UHFFFAOYSA-N 1 0 312.335 4.101 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000295865497 1044568862 /nfs/dbraw/zinc/56/88/62/1044568862.db2.gz BUMZWBMAPVAIFI-SNUQEOBHSA-N 1 0 310.372 4.260 20 30 DIEDRO C=CC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(OC)cc1 ZINC000444595109 1044572242 /nfs/dbraw/zinc/57/22/42/1044572242.db2.gz KZZPTZJRDWLQBA-UHFFFAOYSA-N 1 0 300.446 4.403 20 30 DIEDRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000296057913 1044586069 /nfs/dbraw/zinc/58/60/69/1044586069.db2.gz BGKLUBZFMSKBRW-IBGZPJMESA-N 1 0 324.428 4.009 20 30 DIEDRO CCC[N@H+](CCCCC(C)(C)C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000444641039 1044588884 /nfs/dbraw/zinc/58/88/84/1044588884.db2.gz ONRSITZOLATMFZ-GVDBMIGSSA-N 1 0 306.494 4.232 20 30 DIEDRO CC(C)(C#N)CCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000444658420 1044589178 /nfs/dbraw/zinc/58/91/78/1044589178.db2.gz FYMFULPPDDWYRR-UHFFFAOYSA-N 1 0 315.417 4.279 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886099156 1044606845 /nfs/dbraw/zinc/60/68/45/1044606845.db2.gz VYKLMPPGIPLRIO-MJGOQNOKSA-N 1 0 310.441 4.017 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2nc(C3CCCC3)no2)CCCC1(C)C ZINC000444781254 1044620453 /nfs/dbraw/zinc/62/04/53/1044620453.db2.gz HCYKRKIFKIYNKK-HNNXBMFYSA-N 1 0 303.450 4.294 20 30 DIEDRO N#CCCC[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccccc1 ZINC000886216241 1044626528 /nfs/dbraw/zinc/62/65/28/1044626528.db2.gz ZRIIBIVEVDOEBI-RBUKOAKNSA-N 1 0 312.457 4.360 20 30 DIEDRO CCc1ccc(C[NH2+]Cc2ccc(SC)c(C#N)c2)s1 ZINC000886278734 1044630035 /nfs/dbraw/zinc/63/00/35/1044630035.db2.gz HWLLYPDUOGEUON-UHFFFAOYSA-N 1 0 302.468 4.194 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2csc([C@@H](C)OC)n2)CCCC1(C)C ZINC000444786991 1044630592 /nfs/dbraw/zinc/63/05/92/1044630592.db2.gz PPBCWQVAOPRVHM-HIFRSBDPSA-N 1 0 308.491 4.417 20 30 DIEDRO C=CC[NH+](CC=C)CCCC(=O)c1ccc(Br)cc1 ZINC000568542902 1044632160 /nfs/dbraw/zinc/63/21/60/1044632160.db2.gz APYQAIPZEAQYKT-UHFFFAOYSA-N 1 0 322.246 4.086 20 30 DIEDRO C=CCSCC[NH2+]Cc1cccc(Cl)c1Br ZINC000719479431 1044634487 /nfs/dbraw/zinc/63/44/87/1044634487.db2.gz ZTJNDKVLYTYLFF-UHFFFAOYSA-N 1 0 320.683 4.111 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCc3c4cc(F)ccc4[nH]c32)c1 ZINC000886501267 1044649285 /nfs/dbraw/zinc/64/92/85/1044649285.db2.gz DDLYVINLXAGKIZ-IBGZPJMESA-N 1 0 319.383 4.346 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(C#N)cc1Cl ZINC000568830165 1044654469 /nfs/dbraw/zinc/65/44/69/1044654469.db2.gz WERRPJFNGQZFTQ-LLVKDONJSA-N 1 0 320.770 4.383 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000363949745 1044657104 /nfs/dbraw/zinc/65/71/04/1044657104.db2.gz PUIFXFZGLXXGNH-MRXNPFEDSA-N 1 0 318.420 4.141 20 30 DIEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC[C@H](C)CC(C)(C)C ZINC001275889381 1044661531 /nfs/dbraw/zinc/66/15/31/1044661531.db2.gz OQDYMXGGIJSJNW-RCCFBDPRSA-N 1 0 320.521 4.090 20 30 DIEDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000886614477 1044668532 /nfs/dbraw/zinc/66/85/32/1044668532.db2.gz YCNDWEWHNJZYEY-QRVBRYPASA-N 1 0 300.446 4.359 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC(C)(C)Oc2ccccc2)c1 ZINC000523706810 1044674303 /nfs/dbraw/zinc/67/43/03/1044674303.db2.gz FAVMFGDJPRJAOF-UHFFFAOYSA-N 1 0 311.425 4.199 20 30 DIEDRO COc1cc(C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)ccc1C#N ZINC000569136799 1044675519 /nfs/dbraw/zinc/67/55/19/1044675519.db2.gz USYLYIGBHRVWIG-FQEVSTJZSA-N 1 0 306.409 4.116 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000886684565 1044679610 /nfs/dbraw/zinc/67/96/10/1044679610.db2.gz NRIMWZBWRVQACQ-UHFFFAOYSA-N 1 0 321.424 4.046 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000364934591 1044680754 /nfs/dbraw/zinc/68/07/54/1044680754.db2.gz RCVLISLMMYIEHG-UHFFFAOYSA-N 1 0 306.837 4.123 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(C)nc2C)cc1C#N ZINC000886688447 1044681791 /nfs/dbraw/zinc/68/17/91/1044681791.db2.gz RTRCFJFOWDCGND-ZDUSSCGKSA-N 1 0 311.454 4.143 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)CCC(F)(F)F)cc1C#N ZINC000886687718 1044682115 /nfs/dbraw/zinc/68/21/15/1044682115.db2.gz CXMCZWOJRXERRJ-SNVBAGLBSA-N 1 0 302.365 4.101 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886709577 1044685255 /nfs/dbraw/zinc/68/52/55/1044685255.db2.gz UKJKORRJGUEFJG-MSOLQXFVSA-N 1 0 309.494 4.077 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886709579 1044685803 /nfs/dbraw/zinc/68/58/03/1044685803.db2.gz UKJKORRJGUEFJG-ROUUACIJSA-N 1 0 309.494 4.077 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886712536 1044686818 /nfs/dbraw/zinc/68/68/18/1044686818.db2.gz GFOKCUKCJRPKOX-ROUUACIJSA-N 1 0 309.494 4.077 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc3sccc3c2)ccc1C#N ZINC000569277271 1044690774 /nfs/dbraw/zinc/69/07/74/1044690774.db2.gz QRCOLOSQDHHVHC-UHFFFAOYSA-N 1 0 308.406 4.071 20 30 DIEDRO CC[C@H](C)[C@H](C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717315 1044691536 /nfs/dbraw/zinc/69/15/36/1044691536.db2.gz ZMXUGMOQZABCNH-KBPBESRZSA-N 1 0 324.428 4.007 20 30 DIEDRO CCC[C@@]1(C)CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000076145464 1044691649 /nfs/dbraw/zinc/69/16/49/1044691649.db2.gz SDIVSAYDYMRVCG-IBGZPJMESA-N 1 0 324.428 4.010 20 30 DIEDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000365551906 1044696621 /nfs/dbraw/zinc/69/66/21/1044696621.db2.gz FBPHGYRGSBWOBE-QYZOEREBSA-N 1 0 322.456 4.081 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCOc2cc(OC)ccc21)c1ccc(C#N)cc1 ZINC000365740777 1044700141 /nfs/dbraw/zinc/70/01/41/1044700141.db2.gz XULLJDODTPCMFA-RTBURBONSA-N 1 0 322.408 4.131 20 30 DIEDRO N#CC1(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000569654181 1044704019 /nfs/dbraw/zinc/70/40/19/1044704019.db2.gz HOOACIVDBJXJPA-UHFFFAOYSA-N 1 0 302.830 4.462 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1ccc(C#N)cc1 ZINC000365825907 1044704489 /nfs/dbraw/zinc/70/44/89/1044704489.db2.gz PGIKPJUUUKGWKS-ZWKOTPCHSA-N 1 0 322.408 4.131 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000569698358 1044706225 /nfs/dbraw/zinc/70/62/25/1044706225.db2.gz MTUNQUBHMKBXAD-KYJSFNMBSA-N 1 0 315.848 4.399 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000080533599 1044717978 /nfs/dbraw/zinc/71/79/78/1044717978.db2.gz HAINLVQFJCFYCQ-MOPGFXCFSA-N 1 0 314.473 4.382 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000367034909 1044729100 /nfs/dbraw/zinc/72/91/00/1044729100.db2.gz FIGKENGXZZWLII-BTRQGYIVSA-N 1 0 311.473 4.336 20 30 DIEDRO Cc1ccccc1[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367064580 1044730059 /nfs/dbraw/zinc/73/00/59/1044730059.db2.gz DRIHKDWBSKXRTG-KRWDZBQOSA-N 1 0 305.425 4.008 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000367095821 1044732666 /nfs/dbraw/zinc/73/26/66/1044732666.db2.gz ZUSHOCAWMLTEDV-WDSOQIARSA-N 1 0 320.436 4.494 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2csc(Cl)c2)ccc1C#N ZINC000570323320 1044748721 /nfs/dbraw/zinc/74/87/21/1044748721.db2.gz NURLYHOMYVLWLC-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCc2cnn(C(C)C)c2C1)c1ccco1 ZINC000367738004 1044752846 /nfs/dbraw/zinc/75/28/46/1044752846.db2.gz QVHUJXZBNFPABR-SJORKVTESA-N 1 0 313.445 4.211 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000570471122 1044761496 /nfs/dbraw/zinc/76/14/96/1044761496.db2.gz JYFBHIZSWUJGQV-HIFRSBDPSA-N 1 0 308.347 4.235 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000570745952 1044777879 /nfs/dbraw/zinc/77/78/79/1044777879.db2.gz SNABMYFVNDGKJE-CYBMUJFWSA-N 1 0 303.381 4.191 20 30 DIEDRO N#CCCCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000123809410 1044787670 /nfs/dbraw/zinc/78/76/70/1044787670.db2.gz XLLKYOSHUWKFMW-MOPGFXCFSA-N 1 0 300.446 4.049 20 30 DIEDRO CC(C)c1nc(C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)no1 ZINC000368944644 1044794241 /nfs/dbraw/zinc/79/42/41/1044794241.db2.gz FHTIUDHJLJDEID-CQSZACIVSA-N 1 0 324.428 4.005 20 30 DIEDRO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)CC12CCCCC2 ZINC000369198876 1044800368 /nfs/dbraw/zinc/80/03/68/1044800368.db2.gz QOVLFDQJOVOUDN-SFHVURJKSA-N 1 0 318.505 4.379 20 30 DIEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)CC12CCCCC2 ZINC000369198875 1044801531 /nfs/dbraw/zinc/80/15/31/1044801531.db2.gz QOVLFDQJOVOUDN-GOSISDBHSA-N 1 0 318.505 4.379 20 30 DIEDRO CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000572209392 1044848800 /nfs/dbraw/zinc/84/88/00/1044848800.db2.gz ZEPYRADHINQHRQ-LJQANCHMSA-N 1 0 308.425 4.370 20 30 DIEDRO CCOc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)ccc1OC ZINC000130520135 1044864806 /nfs/dbraw/zinc/86/48/06/1044864806.db2.gz SKWWJNYPBOYAFS-GOSISDBHSA-N 1 0 324.424 4.229 20 30 DIEDRO CC1CCC([N@H+](CCCC2(C#N)CCOCC2)C2CC2)CC1 ZINC000337139371 1044867169 /nfs/dbraw/zinc/86/71/69/1044867169.db2.gz PYGYZBOPCNGYMO-UHFFFAOYSA-N 1 0 304.478 4.130 20 30 DIEDRO CC(C)[NH+](CCNc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000524601616 1044888135 /nfs/dbraw/zinc/88/81/35/1044888135.db2.gz WMOBGNFAPTWXAW-UHFFFAOYSA-N 1 0 313.367 4.108 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCC12CCOCC2 ZINC000337492249 1044910032 /nfs/dbraw/zinc/91/00/32/1044910032.db2.gz ADXXXLPZLIJCTL-PMACEKPBSA-N 1 0 324.468 4.265 20 30 DIEDRO CC[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(C#N)cc1 ZINC000337530884 1044914736 /nfs/dbraw/zinc/91/47/36/1044914736.db2.gz CYDIBXXQPKABOG-IBGZPJMESA-N 1 0 303.409 4.323 20 30 DIEDRO CC1CCC([N@@H+](Cc2cccc(C#N)c2)C[C@H]2CCCO2)CC1 ZINC000524757099 1044918135 /nfs/dbraw/zinc/91/81/35/1044918135.db2.gz CNPKKLJSPDRIMP-RRWXTXHCSA-N 1 0 312.457 4.118 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000573695369 1044918307 /nfs/dbraw/zinc/91/83/07/1044918307.db2.gz LWGKDNHTVGXKSN-PMACEKPBSA-N 1 0 305.425 4.111 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1OC(F)F)c1ccc(C#N)cc1 ZINC000337562372 1044920652 /nfs/dbraw/zinc/92/06/52/1044920652.db2.gz WKBAXFSTGUUCQV-XHSDSOJGSA-N 1 0 308.372 4.149 20 30 DIEDRO C=CCCCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000574485689 1044954303 /nfs/dbraw/zinc/95/43/03/1044954303.db2.gz AMLPMGMWVSUILU-OAHLLOKOSA-N 1 0 313.445 4.292 20 30 DIEDRO CCc1nc(C(C)C)ccc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000574468739 1044955129 /nfs/dbraw/zinc/95/51/29/1044955129.db2.gz UGJKVYCKQPSDJQ-UHFFFAOYSA-N 1 0 319.452 4.418 20 30 DIEDRO CCCO[C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135208416 1044974531 /nfs/dbraw/zinc/97/45/31/1044974531.db2.gz BNJGQKJZTRZIPT-GOSISDBHSA-N 1 0 314.473 4.269 20 30 DIEDRO N#CC1(CC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)CCCCC1 ZINC000411182664 1044982206 /nfs/dbraw/zinc/98/22/06/1044982206.db2.gz HMFGCNKBAMACDY-SFHVURJKSA-N 1 0 316.445 4.125 20 30 DIEDRO C=C(C[NH2+][C@H](Cc1ccccn1)c1cccnc1)c1ccccc1 ZINC000338173497 1044982714 /nfs/dbraw/zinc/98/27/14/1044982714.db2.gz AXISUBOQLXYHJB-OAQYLSRUSA-N 1 0 315.420 4.063 20 30 DIEDRO COc1ccccc1C[C@@H](C)N(CCC#N)Cc1ccccc1 ZINC000338264156 1044988626 /nfs/dbraw/zinc/98/86/26/1044988626.db2.gz OQLPZYSRARDYQT-QGZVFWFLSA-N 1 0 308.425 4.042 20 30 DIEDRO C[C@H]1C[C@@H]1C[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047045173 1045004849 /nfs/dbraw/zinc/00/48/49/1045004849.db2.gz IRRPWPXMJXESEP-HRAATJIYSA-N 1 0 315.420 4.088 20 30 DIEDRO C[C@@H]1C[C@H]1C[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047045175 1045005704 /nfs/dbraw/zinc/00/57/04/1045005704.db2.gz IRRPWPXMJXESEP-IERDGZPVSA-N 1 0 315.420 4.088 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CCC#N)ccc1OC1CCCC1 ZINC000411444571 1045008448 /nfs/dbraw/zinc/00/84/48/1045008448.db2.gz FCEOIDPDOMYPQI-LSDHHAIUSA-N 1 0 316.445 4.359 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCCc3ccccc3Cl)CC2)c1 ZINC000575820862 1045009858 /nfs/dbraw/zinc/00/98/58/1045009858.db2.gz VWXJKWUKIBNOBY-UHFFFAOYSA-N 1 0 310.828 4.423 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000151391969 1045022380 /nfs/dbraw/zinc/02/23/80/1045022380.db2.gz HOBDVHOGKJQCMH-KRWDZBQOSA-N 1 0 316.351 4.401 20 30 DIEDRO C[C@@H](CCC#N)[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000411720770 1045024996 /nfs/dbraw/zinc/02/49/96/1045024996.db2.gz NTOIWZQQDRIPIJ-AWEZNQCLSA-N 1 0 313.470 4.342 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCC[C@H]2C2CCCCC2)CCOCC1 ZINC000374157149 1045033970 /nfs/dbraw/zinc/03/39/70/1045033970.db2.gz FKKPEMAWLCBORN-SFHVURJKSA-N 1 0 304.478 4.132 20 30 DIEDRO CC(C)CCOC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000446760474 1045035998 /nfs/dbraw/zinc/03/59/98/1045035998.db2.gz TWYFKTZMWHBBDQ-UHFFFAOYSA-N 1 0 319.876 4.219 20 30 DIEDRO N#CCCOCC[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000576175619 1045038974 /nfs/dbraw/zinc/03/89/74/1045038974.db2.gz IYGOQNLRANTACQ-KRWDZBQOSA-N 1 0 306.837 4.091 20 30 DIEDRO C=CCC[N@@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000525329040 1045038931 /nfs/dbraw/zinc/03/89/31/1045038931.db2.gz WQVJPYKDTQHBHK-UHFFFAOYSA-N 1 0 301.352 4.252 20 30 DIEDRO C[N@H+](CCCCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000152602563 1045044218 /nfs/dbraw/zinc/04/42/18/1045044218.db2.gz UVLGREIEDVNCJQ-UHFFFAOYSA-N 1 0 321.262 4.106 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000153720949 1045062415 /nfs/dbraw/zinc/06/24/15/1045062415.db2.gz YUKSZOKUGRQIRO-SCLBCKFNSA-N 1 0 309.369 4.268 20 30 DIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000576672697 1045071802 /nfs/dbraw/zinc/07/18/02/1045071802.db2.gz BCHXVBODVVBLHJ-FGTMMUONSA-N 1 0 300.471 4.199 20 30 DIEDRO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000576790517 1045079910 /nfs/dbraw/zinc/07/99/10/1045079910.db2.gz XVVPVAOUKPCVRS-RDTXWAMCSA-N 1 0 310.397 4.133 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(Cc3ccccc3)CC2)cc1 ZINC000158899446 1045082501 /nfs/dbraw/zinc/08/25/01/1045082501.db2.gz OYBMHEMANULEOM-QGZVFWFLSA-N 1 0 320.436 4.090 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1OC ZINC000047771678 1045092841 /nfs/dbraw/zinc/09/28/41/1045092841.db2.gz ITNNBIDNWAVTGN-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO CCCCC[N@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000577406043 1045122048 /nfs/dbraw/zinc/12/20/48/1045122048.db2.gz UOTHZYLPERMENE-UHFFFAOYSA-N 1 0 322.452 4.210 20 30 DIEDRO N#Cc1csc(C[N@H+](CCc2ccccc2)C2CCCC2)n1 ZINC000577432363 1045123527 /nfs/dbraw/zinc/12/35/27/1045123527.db2.gz KVGWBURAPUOXIO-UHFFFAOYSA-N 1 0 311.454 4.002 20 30 DIEDRO C[NH+](C)CCCC1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000577528162 1045133601 /nfs/dbraw/zinc/13/36/01/1045133601.db2.gz DTMIOFUPEKCMFF-UHFFFAOYSA-N 1 0 321.415 4.054 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000447530759 1045137007 /nfs/dbraw/zinc/13/70/07/1045137007.db2.gz NNRXFNRDIMXFCL-DYVFJYSZSA-N 1 0 308.381 4.089 20 30 DIEDRO C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc3[nH]cc(C#N)c3c2)cc1 ZINC000600779216 1045137409 /nfs/dbraw/zinc/13/74/09/1045137409.db2.gz QFTAOBKZKMCOMD-AWEZNQCLSA-N 1 0 316.408 4.086 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(C#N)cc1 ZINC000447527705 1045137719 /nfs/dbraw/zinc/13/77/19/1045137719.db2.gz FVQKXNKRMMYWPH-IBGZPJMESA-N 1 0 301.393 4.347 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)COc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447541971 1045142660 /nfs/dbraw/zinc/14/26/60/1045142660.db2.gz HSNIZOLHKOISQB-KUHUBIRLSA-N 1 0 312.388 4.206 20 30 DIEDRO CCO[C@H](C[NH2+][C@@H](CC)c1ccc(C#N)cc1)c1ccccc1 ZINC000447555728 1045149308 /nfs/dbraw/zinc/14/93/08/1045149308.db2.gz CWMXSOYCPFFEKL-VQTJNVASSA-N 1 0 308.425 4.377 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447562560 1045149387 /nfs/dbraw/zinc/14/93/87/1045149387.db2.gz MGVFCMGJTBYLEK-PZJWPPBQSA-N 1 0 319.452 4.268 20 30 DIEDRO N#Cc1cc(F)cc(NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000600856888 1045151838 /nfs/dbraw/zinc/15/18/38/1045151838.db2.gz RZUXGESDJJOMGQ-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](COc2ccccc2)c2ccccc2)C1 ZINC000447586757 1045152824 /nfs/dbraw/zinc/15/28/24/1045152824.db2.gz OPTGNJXEKPSQKP-YFVAEKQCSA-N 1 0 320.436 4.479 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1ccc(C#N)cc1 ZINC000447587839 1045152931 /nfs/dbraw/zinc/15/29/31/1045152931.db2.gz RUKJXCSZAKLHIR-IAGOWNOFSA-N 1 0 312.800 4.386 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000447585637 1045153431 /nfs/dbraw/zinc/15/34/31/1045153431.db2.gz LBQYIGNOLIDNTD-RHSMWYFYSA-N 1 0 313.397 4.424 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1COc2c1ccc(C)c2C)c1ccc(C#N)cc1 ZINC000447588672 1045154638 /nfs/dbraw/zinc/15/46/38/1045154638.db2.gz VTOROJQEPJTBBB-RBUKOAKNSA-N 1 0 306.409 4.350 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000447589953 1045154998 /nfs/dbraw/zinc/15/49/98/1045154998.db2.gz ZQJDVVZUBSNANO-GOSISDBHSA-N 1 0 323.440 4.371 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447578056 1045159267 /nfs/dbraw/zinc/15/92/67/1045159267.db2.gz CSDONEJAAWYWSW-HXUWFJFHSA-N 1 0 324.424 4.077 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1 ZINC000447602931 1045160592 /nfs/dbraw/zinc/16/05/92/1045160592.db2.gz WGIXZFKJFWNIDE-OALUTQOASA-N 1 0 312.457 4.481 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCOc1ccccc1 ZINC000577730810 1045167340 /nfs/dbraw/zinc/16/73/40/1045167340.db2.gz ZGYHRDGCGPAUKN-NRFANRHFSA-N 1 0 320.436 4.384 20 30 DIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000577789152 1045170682 /nfs/dbraw/zinc/17/06/82/1045170682.db2.gz HZKYDQOWUMTIRG-SJORKVTESA-N 1 0 311.454 4.173 20 30 DIEDRO COc1cc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N)ccc1OC(C)C ZINC000924611675 1045183364 /nfs/dbraw/zinc/18/33/64/1045183364.db2.gz CJYQGNDNQFJDDL-HUUCEWRRSA-N 1 0 318.461 4.461 20 30 DIEDRO N#CC1(c2ccc(CN[C@@H](CF)c3ccc(F)cc3)cc2)CC1 ZINC000601165908 1045195705 /nfs/dbraw/zinc/19/57/05/1045195705.db2.gz BWENDLSITXDKIR-SFHVURJKSA-N 1 0 312.363 4.181 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000601173840 1045197322 /nfs/dbraw/zinc/19/73/22/1045197322.db2.gz KDFNXAOZSHFVDL-UHFFFAOYSA-N 1 0 303.409 4.259 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000601276894 1045209809 /nfs/dbraw/zinc/20/98/09/1045209809.db2.gz QYEYBSNNBUPTKH-WSTZPKSXSA-N 1 0 305.425 4.037 20 30 DIEDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000601284096 1045210043 /nfs/dbraw/zinc/21/00/43/1045210043.db2.gz FSDCBKOBGNABPU-FQEVSTJZSA-N 1 0 318.420 4.223 20 30 DIEDRO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC1CCC(C#N)CC1 ZINC000601280452 1045211062 /nfs/dbraw/zinc/21/10/62/1045211062.db2.gz OCQRVLYTQNETJW-GTPINHCMSA-N 1 0 309.457 4.409 20 30 DIEDRO Cc1ncc([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000601299157 1045212666 /nfs/dbraw/zinc/21/26/66/1045212666.db2.gz JEMUUMBWBLVTNN-SJCJKPOMSA-N 1 0 311.454 4.442 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)c1ncc(C(F)(F)F)cc1Cl ZINC000924941274 1045213040 /nfs/dbraw/zinc/21/30/40/1045213040.db2.gz FMPCZMKJGPSSOP-VIFPVBQESA-N 1 0 305.731 4.098 20 30 DIEDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)CC(C)(C)C#N)cc1 ZINC000924939480 1045213368 /nfs/dbraw/zinc/21/33/68/1045213368.db2.gz SWUPIRVBIWRBPI-CABCVRRESA-N 1 0 320.502 4.404 20 30 DIEDRO C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc(C#N)cc1F ZINC000601304450 1045213966 /nfs/dbraw/zinc/21/39/66/1045213966.db2.gz OWSWCIYOJKIJPL-KDOFPFPSSA-N 1 0 316.420 4.087 20 30 DIEDRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C#N)s3)oc21 ZINC000557664023 1045216655 /nfs/dbraw/zinc/21/66/55/1045216655.db2.gz GRGRRGBCXCLUSI-NSHDSACASA-N 1 0 312.394 4.225 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000578170140 1045218044 /nfs/dbraw/zinc/21/80/44/1045218044.db2.gz RNRGUVGDQSSQCV-IWGBCORSSA-N 1 0 302.421 4.430 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC000578170139 1045218299 /nfs/dbraw/zinc/21/82/99/1045218299.db2.gz RNRGUVGDQSSQCV-BIGNBACZSA-N 1 0 302.421 4.430 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000925136432 1045228727 /nfs/dbraw/zinc/22/87/27/1045228727.db2.gz OSTUPTGMXZOYAB-HLLBOEOZSA-N 1 0 319.518 4.049 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1cccc(C#N)c1 ZINC000925190481 1045233857 /nfs/dbraw/zinc/23/38/57/1045233857.db2.gz JOQUJQXCWFPOPL-SJKOYZFVSA-N 1 0 311.816 4.335 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3cccc(Cl)c3)C2)s1 ZINC000557817924 1045235568 /nfs/dbraw/zinc/23/55/68/1045235568.db2.gz BMOUTKKYVDYRQC-UHFFFAOYSA-N 1 0 302.830 4.309 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]CCc2cccc(C#N)c2)cc1F ZINC000578470301 1045245191 /nfs/dbraw/zinc/24/51/91/1045245191.db2.gz YVZXJEZTDYEZQR-CYBMUJFWSA-N 1 0 314.429 4.313 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527719750 1045256268 /nfs/dbraw/zinc/25/62/68/1045256268.db2.gz JFYRNTVJLDXEFV-LJQANCHMSA-N 1 0 301.393 4.207 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cc1 ZINC000048711312 1045262832 /nfs/dbraw/zinc/26/28/32/1045262832.db2.gz QYUJFDJHPLZGMV-UHFFFAOYSA-N 1 0 315.376 4.035 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC/C=C\c2ccc(Br)cc2)C1 ZINC000527931480 1045285594 /nfs/dbraw/zinc/28/55/94/1045285594.db2.gz KXBTUDGSFMYDNN-VZIDFYGBSA-N 1 0 319.246 4.134 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC/C=C\c2ccc(Br)cc2)C1 ZINC000527931477 1045286069 /nfs/dbraw/zinc/28/60/69/1045286069.db2.gz KXBTUDGSFMYDNN-NHLUTYEJSA-N 1 0 319.246 4.134 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000527964335 1045289169 /nfs/dbraw/zinc/28/91/69/1045289169.db2.gz JWRZWHNKLZXQOR-DJJJIMSYSA-N 1 0 309.388 4.284 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000216167969 1045301980 /nfs/dbraw/zinc/30/19/80/1045301980.db2.gz UYDKNGFSFGKIOY-LLVKDONJSA-N 1 0 315.244 4.218 20 30 DIEDRO C[N@H+](CCc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000579418183 1045313611 /nfs/dbraw/zinc/31/36/11/1045313611.db2.gz ZVUBWBOAKSIMFI-UHFFFAOYSA-N 1 0 318.342 4.252 20 30 DIEDRO CC(C)C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000579465257 1045317393 /nfs/dbraw/zinc/31/73/93/1045317393.db2.gz QEFXQCQDROQQPQ-YOEHRIQHSA-N 1 0 303.837 4.460 20 30 DIEDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC000579539367 1045322290 /nfs/dbraw/zinc/32/22/90/1045322290.db2.gz KGGMYSDEWXVEKR-SFHVURJKSA-N 1 0 320.436 4.022 20 30 DIEDRO Cc1cc(Br)ccc1C[NH+]1CCC(CCC#N)CC1 ZINC000579588051 1045324353 /nfs/dbraw/zinc/32/43/53/1045324353.db2.gz UDOGAQCWDVODBE-UHFFFAOYSA-N 1 0 321.262 4.273 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000579582647 1045324481 /nfs/dbraw/zinc/32/44/81/1045324481.db2.gz JHKBIVFDRCGWKX-TZIWHRDSSA-N 1 0 317.436 4.394 20 30 DIEDRO C=CCCCC[C@H](C)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000449043396 1045339236 /nfs/dbraw/zinc/33/92/36/1045339236.db2.gz XUSMNHQNCWCTSB-KRWDZBQOSA-N 1 0 316.489 4.190 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000449065388 1045339452 /nfs/dbraw/zinc/33/94/52/1045339452.db2.gz UEJJJLTXZCRCKZ-SKINQDTJSA-N 1 0 305.425 4.233 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000449076581 1045345456 /nfs/dbraw/zinc/34/54/56/1045345456.db2.gz ULJGEYJDTHYJQW-MYWSLZCHSA-N 1 0 312.457 4.479 20 30 DIEDRO Cc1c(C[NH2+]C2CCC(C)(C#N)CC2)oc2ccc(F)cc12 ZINC000449097584 1045346173 /nfs/dbraw/zinc/34/61/73/1045346173.db2.gz MFPMINPYSODRDC-UHFFFAOYSA-N 1 0 300.377 4.442 20 30 DIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449100056 1045346872 /nfs/dbraw/zinc/34/68/72/1045346872.db2.gz VRQLDIZQKGNFFR-MUYFXNHWSA-N 1 0 300.446 4.133 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000076397650 1045349381 /nfs/dbraw/zinc/34/93/81/1045349381.db2.gz BHTFPUFIMUHEMZ-LBPRGKRZSA-N 1 0 320.314 4.308 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1[N+](=O)[O-] ZINC000449177153 1045354690 /nfs/dbraw/zinc/35/46/90/1045354690.db2.gz UYFASKQAYDRJDL-KTAKPFMOSA-N 1 0 301.390 4.026 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000449197409 1045362406 /nfs/dbraw/zinc/36/24/06/1045362406.db2.gz VXCSVBWDGBTGFC-FUFFSDJGSA-N 1 0 312.457 4.186 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cnn(Cc2ccccc2)c1 ZINC000449215157 1045363748 /nfs/dbraw/zinc/36/37/48/1045363748.db2.gz ZWYBGGPGOVAVJJ-PBPGXSGUSA-N 1 0 322.456 4.054 20 30 DIEDRO C=C(C)C[N@@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449225584 1045363996 /nfs/dbraw/zinc/36/39/96/1045363996.db2.gz KVCGOVAGJXROJV-UHFFFAOYSA-N 1 0 305.219 4.005 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc2ccoc21 ZINC000449318079 1045376846 /nfs/dbraw/zinc/37/68/46/1045376846.db2.gz CPIOXADGJLECGF-UHFFFAOYSA-N 1 0 311.381 4.096 20 30 DIEDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000449364457 1045382537 /nfs/dbraw/zinc/38/25/37/1045382537.db2.gz QPCDFNMYHSHHJK-MISXGVKJSA-N 1 0 314.326 4.249 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000449433409 1045392528 /nfs/dbraw/zinc/39/25/28/1045392528.db2.gz MFDLLSHDJIZJIU-AAEUAGOBSA-N 1 0 302.365 4.221 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000449520374 1045407077 /nfs/dbraw/zinc/40/70/77/1045407077.db2.gz PDBOCIOWPDAUAV-GXIIQHASSA-N 1 0 311.347 4.042 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C/C(C)=C/c1ccccc1OC(F)F ZINC000449545967 1045408856 /nfs/dbraw/zinc/40/88/56/1045408856.db2.gz AOECIRSGCCOVIY-UUUHGLBNSA-N 1 0 323.383 4.015 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(OC(C)(C)C)CC2)c1 ZINC000119217154 1045410712 /nfs/dbraw/zinc/41/07/12/1045410712.db2.gz ZPBHWCTWARJYCL-UHFFFAOYSA-N 1 0 303.446 4.031 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CCCC1 ZINC000449607365 1045418456 /nfs/dbraw/zinc/41/84/56/1045418456.db2.gz XLNGVPXAVHYZDE-OAHLLOKOSA-N 1 0 306.475 4.221 20 30 DIEDRO C=CCCCC(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000475658145 1045426404 /nfs/dbraw/zinc/42/64/04/1045426404.db2.gz CXHKHSILVZMTDS-MJGOQNOKSA-N 1 0 314.473 4.027 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cccc(CC#N)c2)C1 ZINC000449692615 1045427060 /nfs/dbraw/zinc/42/70/60/1045427060.db2.gz BPTPKVMJAWERLG-OXJNMPFZSA-N 1 0 305.425 4.000 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3cccc(CC#N)c3)CC2)C1 ZINC000449696932 1045427088 /nfs/dbraw/zinc/42/70/88/1045427088.db2.gz KSINBBLRXRCJBP-OXJNMPFZSA-N 1 0 311.473 4.208 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3cccc(CC#N)c3)CC2)C1 ZINC000449696937 1045427116 /nfs/dbraw/zinc/42/71/16/1045427116.db2.gz KSINBBLRXRCJBP-UZLBHIALSA-N 1 0 311.473 4.208 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccc(C#N)cc3F)C2)c1 ZINC000449757017 1045434836 /nfs/dbraw/zinc/43/48/36/1045434836.db2.gz QTCCJNJIBDAGDI-IYARVYRRSA-N 1 0 324.399 4.084 20 30 DIEDRO C#CCCCCCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC001168115525 1045471920 /nfs/dbraw/zinc/47/19/20/1045471920.db2.gz SQWJZFBTCRFTSE-UHFFFAOYSA-N 1 0 318.436 4.058 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001119622429 1045521484 /nfs/dbraw/zinc/52/14/84/1045521484.db2.gz LEFXGPQBJLDZOL-LBPRGKRZSA-N 1 0 314.351 4.046 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC001119776538 1045525314 /nfs/dbraw/zinc/52/53/14/1045525314.db2.gz KUIASBCCQPHIEF-RMYJWEKJSA-N 1 0 320.864 4.336 20 30 DIEDRO N#CCOc1cccc(C[NH2+]C2CC(Sc3ccccc3)C2)c1 ZINC001120008456 1045532814 /nfs/dbraw/zinc/53/28/14/1045532814.db2.gz SIHHYIAPNQDHFZ-UHFFFAOYSA-N 1 0 324.449 4.002 20 30 DIEDRO N#CCC[C@H](C#N)CN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC001120660994 1045540574 /nfs/dbraw/zinc/54/05/74/1045540574.db2.gz ODTNZJLKKYSTGT-CXAGYDPISA-N 1 0 313.401 4.010 20 30 DIEDRO C#Cc1cccc(NC(=O)c2ccc(C[N@@H+](CC)CCC)cc2)c1 ZINC000750831373 1045560374 /nfs/dbraw/zinc/56/03/74/1045560374.db2.gz JSJJXKSEZXJDMS-UHFFFAOYSA-N 1 0 320.436 4.152 20 30 DIEDRO C=CC[C@H]1CC[N@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000628405944 1045577921 /nfs/dbraw/zinc/57/79/21/1045577921.db2.gz YGBLAKSPQIECHM-KRWDZBQOSA-N 1 0 308.425 4.059 20 30 DIEDRO C=C(C)C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000119620330 1045580650 /nfs/dbraw/zinc/58/06/50/1045580650.db2.gz ISVCIKYGFBVUJA-UHFFFAOYSA-N 1 0 323.259 4.238 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1 ZINC000800275758 1045601419 /nfs/dbraw/zinc/60/14/19/1045601419.db2.gz CTALIQOJFNRICE-MRXNPFEDSA-N 1 0 307.384 4.004 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000800399798 1045615034 /nfs/dbraw/zinc/61/50/34/1045615034.db2.gz GKBGSDYNNCMBAM-IBGZPJMESA-N 1 0 324.855 4.398 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(C)c(C)o2)c1 ZINC000800481430 1045625423 /nfs/dbraw/zinc/62/54/23/1045625423.db2.gz RCIORSARDHKCQF-PBHICJAKSA-N 1 0 312.413 4.428 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000451117027 1045626382 /nfs/dbraw/zinc/62/63/82/1045626382.db2.gz SHUZJXLCXUYYLN-CQSZACIVSA-N 1 0 306.409 4.295 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1 ZINC000800482880 1045627439 /nfs/dbraw/zinc/62/74/39/1045627439.db2.gz OVDREZDEISZAMD-NRSPTQNISA-N 1 0 304.437 4.462 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)c(F)c1 ZINC000800495176 1045631673 /nfs/dbraw/zinc/63/16/73/1045631673.db2.gz KQRIKUNCJJXSBO-PIGZYNQJSA-N 1 0 314.791 4.169 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]CC2CCC(F)(F)CC2)cc1 ZINC000800500687 1045635458 /nfs/dbraw/zinc/63/54/58/1045635458.db2.gz VWISCURNRQHXMX-AWEZNQCLSA-N 1 0 307.384 4.175 20 30 DIEDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000451150947 1045635578 /nfs/dbraw/zinc/63/55/78/1045635578.db2.gz YENDRUWPYLOMME-LOWVWBTDSA-N 1 0 314.326 4.249 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC2CCC(F)(F)CC2)cc1 ZINC000800500688 1045637034 /nfs/dbraw/zinc/63/70/34/1045637034.db2.gz VWISCURNRQHXMX-CQSZACIVSA-N 1 0 307.384 4.175 20 30 DIEDRO C=CCCc1ccccc1NC(=O)CCCC[NH+]1CCCC1 ZINC000800592561 1045641544 /nfs/dbraw/zinc/64/15/44/1045641544.db2.gz UQVVQXHWCXSLKJ-UHFFFAOYSA-N 1 0 300.446 4.010 20 30 DIEDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000751932602 1045641765 /nfs/dbraw/zinc/64/17/65/1045641765.db2.gz PQFAKRXXSGQZIM-PMACEKPBSA-N 1 0 320.436 4.281 20 30 DIEDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000451203113 1045646250 /nfs/dbraw/zinc/64/62/50/1045646250.db2.gz QZNLGDCFMNVFEI-NRFANRHFSA-N 1 0 320.436 4.084 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000752068978 1045655011 /nfs/dbraw/zinc/65/50/11/1045655011.db2.gz NFZRQJIKYFSAQG-HOTGVXAUSA-N 1 0 300.446 4.456 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000752068980 1045655086 /nfs/dbraw/zinc/65/50/86/1045655086.db2.gz NFZRQJIKYFSAQG-HZPDHXFCSA-N 1 0 300.446 4.456 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000752068982 1045655252 /nfs/dbraw/zinc/65/52/52/1045655252.db2.gz NFZRQJIKYFSAQG-JKSUJKDBSA-N 1 0 300.446 4.456 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530419367 1045663112 /nfs/dbraw/zinc/66/31/12/1045663112.db2.gz LSPGYORYWPPMNO-IBGZPJMESA-N 1 0 312.457 4.262 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccccc1O ZINC000800989456 1045677664 /nfs/dbraw/zinc/67/76/64/1045677664.db2.gz DBQYIQUUSHSJNS-INIZCTEOSA-N 1 0 300.789 4.158 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1csc(Cl)c1 ZINC000191372922 1045686749 /nfs/dbraw/zinc/68/67/49/1045686749.db2.gz BRBSMQIKFGNXMP-LLVKDONJSA-N 1 0 306.818 4.003 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H](C)CCO)c1ccc(C(F)(F)F)cc1 ZINC000779414365 1045687562 /nfs/dbraw/zinc/68/75/62/1045687562.db2.gz CWWRXFNWYVDRLK-IUODEOHRSA-N 1 0 301.352 4.073 20 30 DIEDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCCC(C)(C)C#N)c1 ZINC000530626101 1045702400 /nfs/dbraw/zinc/70/24/00/1045702400.db2.gz GHQRGIMAUJMIGC-QGZVFWFLSA-N 1 0 300.446 4.032 20 30 DIEDRO N#Cc1csc(C[NH2+]CCCCCOC2CCCCC2)c1 ZINC000530640370 1045704089 /nfs/dbraw/zinc/70/40/89/1045704089.db2.gz BJXHZARPNRUZCB-UHFFFAOYSA-N 1 0 306.475 4.229 20 30 DIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000475671237 1045710525 /nfs/dbraw/zinc/71/05/25/1045710525.db2.gz LKQYWALALQODRX-UHFFFAOYSA-N 1 0 314.454 4.433 20 30 DIEDRO C#CC[C@@H]([NH2+]C[C@@H](OC)c1ccc(Cl)cc1)c1ccccc1 ZINC000801528207 1045731731 /nfs/dbraw/zinc/73/17/31/1045731731.db2.gz GFBFKWJGWZQKLM-RTBURBONSA-N 1 0 313.828 4.382 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000753199599 1045735573 /nfs/dbraw/zinc/73/55/73/1045735573.db2.gz JNQLRCSKOJYGMW-UHFFFAOYSA-N 1 0 320.436 4.143 20 30 DIEDRO CCCC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1O ZINC000801596699 1045749120 /nfs/dbraw/zinc/74/91/20/1045749120.db2.gz LACIXVGSMBHTLW-UHFFFAOYSA-N 1 0 324.424 4.097 20 30 DIEDRO CCCC[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1O ZINC000801597092 1045753504 /nfs/dbraw/zinc/75/35/04/1045753504.db2.gz ARCGQOMVYNSDDW-UHFFFAOYSA-N 1 0 312.388 4.205 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191988225 1045771285 /nfs/dbraw/zinc/77/12/85/1045771285.db2.gz UFFIIEKJKUNTCX-SFHVURJKSA-N 1 0 310.372 4.043 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000753680234 1045788151 /nfs/dbraw/zinc/78/81/51/1045788151.db2.gz ZHSUUJGEEOHQPB-BUIAKZPTSA-N 1 0 300.446 4.282 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753677873 1045788368 /nfs/dbraw/zinc/78/83/68/1045788368.db2.gz ALVYWLQZPAHWKY-QGZVFWFLSA-N 1 0 323.436 4.175 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1C ZINC000753688876 1045791064 /nfs/dbraw/zinc/79/10/64/1045791064.db2.gz WABUTXSZQYCWJT-OAHLLOKOSA-N 1 0 324.424 4.043 20 30 DIEDRO CSCCCCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000753731004 1045797098 /nfs/dbraw/zinc/79/70/98/1045797098.db2.gz ACVQEMVNOPEXCK-SFHVURJKSA-N 1 0 302.487 4.449 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(CC(F)(F)F)cc2)CCOCC1 ZINC000631174258 1045829380 /nfs/dbraw/zinc/82/93/80/1045829380.db2.gz XQUAPINLAQLJEP-UHFFFAOYSA-N 1 0 313.363 4.006 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000801913978 1045837263 /nfs/dbraw/zinc/83/72/63/1045837263.db2.gz PZWKXSMPSMJSEF-ZWKOTPCHSA-N 1 0 308.425 4.178 20 30 DIEDRO CC(C)c1ccc([C@@H]2CCCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC000801935509 1045852872 /nfs/dbraw/zinc/85/28/72/1045852872.db2.gz GJXFLYKGWFQTMW-APWZRJJASA-N 1 0 300.446 4.266 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000801940024 1045853717 /nfs/dbraw/zinc/85/37/17/1045853717.db2.gz UHXSLMIUDUXJLJ-RDTXWAMCSA-N 1 0 320.864 4.480 20 30 DIEDRO CC(C)=CC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(Cl)cc1 ZINC000801953895 1045860482 /nfs/dbraw/zinc/86/04/82/1045860482.db2.gz YILJMUGBTRWJRK-HNNXBMFYSA-N 1 0 306.837 4.037 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]CCCOc2ccc(C#N)cc2)s1 ZINC000754669791 1045910897 /nfs/dbraw/zinc/91/08/97/1045910897.db2.gz SQFUHHNYELFWBP-CQSZACIVSA-N 1 0 300.427 4.048 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1Br)[C@H](C)CC ZINC001137632829 1045913758 /nfs/dbraw/zinc/91/37/58/1045913758.db2.gz LSGACRGSDRWDMM-GFCCVEGCSA-N 1 0 309.251 4.331 20 30 DIEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(Br)cc1 ZINC000828629916 1045922646 /nfs/dbraw/zinc/92/26/46/1045922646.db2.gz XQSAJLWIUWOCMM-AWEZNQCLSA-N 1 0 307.235 4.184 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc3ccccc3s1)C2 ZINC001137681456 1045932971 /nfs/dbraw/zinc/93/29/71/1045932971.db2.gz XSENACDCWIZDLJ-UHFFFAOYSA-N 1 0 304.418 4.331 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1C#N ZINC001137703933 1045939723 /nfs/dbraw/zinc/93/97/23/1045939723.db2.gz ZLSMWGNBXIWLQK-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)c(C#N)c1 ZINC001137703069 1045939967 /nfs/dbraw/zinc/93/99/67/1045939967.db2.gz BYFVHLUGQAWOHT-FQEVSTJZSA-N 1 0 306.409 4.212 20 30 DIEDRO C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)Cc1cccc(C#N)c1 ZINC001137715799 1045943874 /nfs/dbraw/zinc/94/38/74/1045943874.db2.gz HBMZMFDGBYDXTB-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000755042570 1045947622 /nfs/dbraw/zinc/94/76/22/1045947622.db2.gz WYBFTGIZZWBAGE-CQSZACIVSA-N 1 0 317.433 4.366 20 30 DIEDRO CCCCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000755079451 1045950315 /nfs/dbraw/zinc/95/03/15/1045950315.db2.gz UJHHENKYPWRXNK-MSOLQXFVSA-N 1 0 323.525 4.004 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000192934359 1045954845 /nfs/dbraw/zinc/95/48/45/1045954845.db2.gz PMWGPJJNKKGUOW-CQSZACIVSA-N 1 0 314.816 4.136 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000192943945 1045954912 /nfs/dbraw/zinc/95/49/12/1045954912.db2.gz ADNKWMOATRMUDQ-SFHVURJKSA-N 1 0 314.816 4.483 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000192943734 1045954978 /nfs/dbraw/zinc/95/49/78/1045954978.db2.gz GRCKULBJXJGOQX-DLBZAZTESA-N 1 0 308.425 4.261 20 30 DIEDRO C#CCCC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000755190067 1045961797 /nfs/dbraw/zinc/96/17/97/1045961797.db2.gz SXVFVYUOHDFQLP-UHFFFAOYSA-N 1 0 315.461 4.280 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc2nc(C)sc2c1)c1ccncc1 ZINC000755195680 1045962028 /nfs/dbraw/zinc/96/20/28/1045962028.db2.gz OQFRVELYRRAPCH-INIZCTEOSA-N 1 0 309.438 4.407 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cccc(-c2cncnc2)c1 ZINC001137770344 1045963048 /nfs/dbraw/zinc/96/30/48/1045963048.db2.gz HWPLPMGIXLSHJB-UHFFFAOYSA-N 1 0 315.420 4.332 20 30 DIEDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000453195089 1045977054 /nfs/dbraw/zinc/97/70/54/1045977054.db2.gz OWEGCSXBAMMQEE-CABCVRRESA-N 1 0 311.404 4.154 20 30 DIEDRO Cn1cc(CC[NH2+][C@H]2CCC[C@H](C#N)C2)c2ccc(Cl)cc21 ZINC000193322500 1045991311 /nfs/dbraw/zinc/99/13/11/1045991311.db2.gz IRAURDGWAXHSBF-BBRMVZONSA-N 1 0 315.848 4.046 20 30 DIEDRO CCCCCCC[C@H](CCC)OCCC[NH+]1CCN(C)CC1 ZINC001206597659 1045996817 /nfs/dbraw/zinc/99/68/17/1045996817.db2.gz ZTLJGMRZRQFFCT-IBGZPJMESA-N 1 0 312.542 4.170 20 30 DIEDRO CC(C)(C)CC=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000755594584 1045998040 /nfs/dbraw/zinc/99/80/40/1045998040.db2.gz ULMNLTZVXQQLSP-UHFFFAOYSA-N 1 0 322.865 4.494 20 30 DIEDRO CC[C@@H](C)C=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000755595608 1045998455 /nfs/dbraw/zinc/99/84/55/1045998455.db2.gz ZOOARSRCKBTEHX-LLVKDONJSA-N 1 0 308.838 4.104 20 30 DIEDRO CC(C)(C)C=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000755594603 1045998536 /nfs/dbraw/zinc/99/85/36/1045998536.db2.gz USODMJPAIKZEQN-UHFFFAOYSA-N 1 0 308.838 4.104 20 30 DIEDRO CSCC1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000453272149 1046003327 /nfs/dbraw/zinc/00/33/27/1046003327.db2.gz SECKXDSORFXNOD-AUCFXJAVSA-N 1 0 300.471 4.057 20 30 DIEDRO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1 ZINC001137904333 1046004395 /nfs/dbraw/zinc/00/43/95/1046004395.db2.gz ZABOYTCVLDDBEA-GHTZIAJQSA-N 1 0 317.436 4.310 20 30 DIEDRO COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1Cl ZINC000453293510 1046017906 /nfs/dbraw/zinc/01/79/06/1046017906.db2.gz SVGHWQLWJRKAJN-AVGNSLFASA-N 1 0 322.836 4.090 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000193494123 1046020165 /nfs/dbraw/zinc/02/01/65/1046020165.db2.gz CKZJSXZRPVKWAD-HNNXBMFYSA-N 1 0 302.418 4.040 20 30 DIEDRO CCCC[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1O ZINC000802657726 1046029358 /nfs/dbraw/zinc/02/93/58/1046029358.db2.gz PBBCZKFDMPMXHN-UHFFFAOYSA-N 1 0 300.427 4.128 20 30 DIEDRO CCNc1ccccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000902600506 1046032148 /nfs/dbraw/zinc/03/21/48/1046032148.db2.gz FFYWQGQHNXFFQP-FQEVSTJZSA-N 1 0 305.425 4.157 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C(C)C)C1)c1ccc(C#N)cc1 ZINC000453315920 1046033249 /nfs/dbraw/zinc/03/32/49/1046033249.db2.gz HPUZNPWKCDDXEP-NEWSRXKRSA-N 1 0 300.446 4.050 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000830167696 1046044170 /nfs/dbraw/zinc/04/41/70/1046044170.db2.gz WPEHVXPEMZOGHC-AWEZNQCLSA-N 1 0 323.396 4.247 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453345753 1046046723 /nfs/dbraw/zinc/04/67/23/1046046723.db2.gz KDIGWKIUXLKGIV-YSGRDPCXSA-N 1 0 324.424 4.258 20 30 DIEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000453346687 1046050802 /nfs/dbraw/zinc/05/08/02/1046050802.db2.gz FXAXHMBSONNMSK-HNNXBMFYSA-N 1 0 303.450 4.177 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccccc1OC(F)F)c1cccc(C#N)c1 ZINC000902730483 1046051324 /nfs/dbraw/zinc/05/13/24/1046051324.db2.gz CHROPJDDHWHEDP-INIZCTEOSA-N 1 0 316.351 4.401 20 30 DIEDRO CCCCCCCCCC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000756090300 1046051732 /nfs/dbraw/zinc/05/17/32/1046051732.db2.gz HDHONVLVFTWUCD-LJQANCHMSA-N 1 0 322.537 4.317 20 30 DIEDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C(C)C)cc1 ZINC000902729669 1046051765 /nfs/dbraw/zinc/05/17/65/1046051765.db2.gz KWHVFKHFMDYCDY-LIRRHRJNSA-N 1 0 309.413 4.010 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000902726421 1046051975 /nfs/dbraw/zinc/05/19/75/1046051975.db2.gz PCSHAVSAWKSVPS-KSSFIOAISA-N 1 0 322.408 4.131 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000453350673 1046052524 /nfs/dbraw/zinc/05/25/24/1046052524.db2.gz LWEQBQFTAKTQCY-UNEWFSDZSA-N 1 0 314.454 4.194 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453381467 1046056616 /nfs/dbraw/zinc/05/66/16/1046056616.db2.gz LEXPEEKOLFRQJY-BLVKFPJESA-N 1 0 312.363 4.250 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000902742835 1046056901 /nfs/dbraw/zinc/05/69/01/1046056901.db2.gz YYDDBRDBGRPBCE-NRFANRHFSA-N 1 0 319.452 4.399 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000453358717 1046056944 /nfs/dbraw/zinc/05/69/44/1046056944.db2.gz OQOJZZNJYCRGAL-BXUZGUMPSA-N 1 0 322.499 4.158 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(C#N)cc3F)C2)c1 ZINC000453381739 1046058162 /nfs/dbraw/zinc/05/81/62/1046058162.db2.gz SEBAKQKFOPGDPQ-KBRIMQKVSA-N 1 0 324.399 4.303 20 30 DIEDRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1F ZINC000453364661 1046064729 /nfs/dbraw/zinc/06/47/29/1046064729.db2.gz SFJYLSLBQQNEQF-CYBMUJFWSA-N 1 0 312.363 4.262 20 30 DIEDRO CC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc(C#N)c1 ZINC000902767096 1046066245 /nfs/dbraw/zinc/06/62/45/1046066245.db2.gz YOHFAAUYMNRRDF-QGZVFWFLSA-N 1 0 318.424 4.108 20 30 DIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 ZINC000902767068 1046066901 /nfs/dbraw/zinc/06/69/01/1046066901.db2.gz XPWGLGUVSQSTDI-VXGBXAGGSA-N 1 0 319.330 4.384 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 ZINC000902767065 1046067831 /nfs/dbraw/zinc/06/78/31/1046067831.db2.gz XPWGLGUVSQSTDI-NEPJUHHUSA-N 1 0 319.330 4.384 20 30 DIEDRO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000902766687 1046068359 /nfs/dbraw/zinc/06/83/59/1046068359.db2.gz PRIRLBCXBVCSNT-LSDHHAIUSA-N 1 0 322.408 4.065 20 30 DIEDRO CCSc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902788631 1046069112 /nfs/dbraw/zinc/06/91/12/1046069112.db2.gz AMWHSBIIBZTJHI-ZIAGYGMSSA-N 1 0 311.454 4.477 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc2ccccc2c1O ZINC000193871375 1046078680 /nfs/dbraw/zinc/07/86/80/1046078680.db2.gz FRPYZQGHZSPVDR-AWEZNQCLSA-N 1 0 302.377 4.268 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902823814 1046079247 /nfs/dbraw/zinc/07/92/47/1046079247.db2.gz AECTZNGXHYIIBJ-KSSFIOAISA-N 1 0 311.404 4.010 20 30 DIEDRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000193904467 1046080057 /nfs/dbraw/zinc/08/00/57/1046080057.db2.gz PMMZYHCONBBVBV-SJORKVTESA-N 1 0 308.425 4.179 20 30 DIEDRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)c1cc(C#N)ccn1 ZINC000902835936 1046083214 /nfs/dbraw/zinc/08/32/14/1046083214.db2.gz SHTDSLOSFIPFPD-QHRIQVFBSA-N 1 0 309.388 4.067 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccc(C#N)cc1 ZINC000756459742 1046084536 /nfs/dbraw/zinc/08/45/36/1046084536.db2.gz WXCCQPBXHISQBL-WQGACYEGSA-N 1 0 310.372 4.302 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1cccc(C#N)c1 ZINC000902847497 1046084612 /nfs/dbraw/zinc/08/46/12/1046084612.db2.gz GQIIBUWNYBXLQU-XPGWFJOJSA-N 1 0 308.425 4.111 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccccc1)c1cccc(C#N)c1 ZINC000902847495 1046084797 /nfs/dbraw/zinc/08/47/97/1046084797.db2.gz GQIIBUWNYBXLQU-RYGJVYDSSA-N 1 0 308.425 4.111 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccccc1)c1cccc(C#N)c1 ZINC000902847498 1046084822 /nfs/dbraw/zinc/08/48/22/1046084822.db2.gz GQIIBUWNYBXLQU-YSSFQJQWSA-N 1 0 308.425 4.111 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)c2ccccc21)c1cc(C#N)ccn1 ZINC000902855013 1046086527 /nfs/dbraw/zinc/08/65/27/1046086527.db2.gz QUZOSZVWIXVKGP-RDTXWAMCSA-N 1 0 305.425 4.417 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)c2ccccc21)c1cc(C#N)ccn1 ZINC000902855012 1046087170 /nfs/dbraw/zinc/08/71/70/1046087170.db2.gz QUZOSZVWIXVKGP-KSSFIOAISA-N 1 0 305.425 4.417 20 30 DIEDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1cccc(C#N)c1 ZINC000902849327 1046087630 /nfs/dbraw/zinc/08/76/30/1046087630.db2.gz LGJBOBWKDVRMDR-PCCBWWKXSA-N 1 0 320.436 4.377 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1cccc(C#N)c1 ZINC000902866292 1046094369 /nfs/dbraw/zinc/09/43/69/1046094369.db2.gz DLHHEXBBGFGDOA-MSOLQXFVSA-N 1 0 322.408 4.131 20 30 DIEDRO Cn1cc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1C#N ZINC000453624655 1046095697 /nfs/dbraw/zinc/09/56/97/1046095697.db2.gz YRWQWHJRHIYECA-IBGZPJMESA-N 1 0 305.425 4.014 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2cc3ccccc3s2)cc1 ZINC000194398504 1046098573 /nfs/dbraw/zinc/09/85/73/1046098573.db2.gz SLEVHGJLGRIRFH-UHFFFAOYSA-N 1 0 308.406 4.093 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1cccc(C#N)c1 ZINC000902880574 1046100504 /nfs/dbraw/zinc/10/05/04/1046100504.db2.gz JVJHPBQDPVFNQO-MOPGFXCFSA-N 1 0 312.457 4.481 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756568083 1046100712 /nfs/dbraw/zinc/10/07/12/1046100712.db2.gz AGEQMDPJRRHQBS-INIZCTEOSA-N 1 0 311.425 4.425 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1cccc(C#N)c1 ZINC000902880582 1046100707 /nfs/dbraw/zinc/10/07/07/1046100707.db2.gz JVJHPBQDPVFNQO-OALUTQOASA-N 1 0 312.457 4.481 20 30 DIEDRO CCCCn1cc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)c(C)n1 ZINC000902893727 1046101628 /nfs/dbraw/zinc/10/16/28/1046101628.db2.gz CRUVCXHXQXTVKN-IBGZPJMESA-N 1 0 310.445 4.104 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)c1c(C)noc1C)[C@]1(C)CCCCO1 ZINC000902887196 1046101789 /nfs/dbraw/zinc/10/17/89/1046101789.db2.gz ZVFOROKYPWKEHZ-LJHODMEESA-N 1 0 320.477 4.279 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccncc1 ZINC000756585809 1046104211 /nfs/dbraw/zinc/10/42/11/1046104211.db2.gz YZKMUONIOHBKAH-BLLLJJGKSA-N 1 0 302.805 4.409 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc2c(c1)CCCC2 ZINC000194803687 1046107844 /nfs/dbraw/zinc/10/78/44/1046107844.db2.gz QGOJBOJVAOWKGE-MRXNPFEDSA-N 1 0 320.436 4.319 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1cccs1)C1CCCCC1 ZINC001138158817 1046111745 /nfs/dbraw/zinc/11/17/45/1046111745.db2.gz CEXSESBPNZBEHL-UHFFFAOYSA-N 1 0 301.459 4.459 20 30 DIEDRO CC[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc(C#N)c1 ZINC000902919545 1046113642 /nfs/dbraw/zinc/11/36/42/1046113642.db2.gz MWFVQXIJDLQIID-KRWDZBQOSA-N 1 0 320.392 4.017 20 30 DIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(C#N)c1 ZINC000902919614 1046113722 /nfs/dbraw/zinc/11/37/22/1046113722.db2.gz OAZOLIMQSKIWLU-LJQANCHMSA-N 1 0 301.393 4.160 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1cccc(C#N)c1 ZINC000902945860 1046120926 /nfs/dbraw/zinc/12/09/26/1046120926.db2.gz WLWMUPVQHBUPMP-RDJZCZTQSA-N 1 0 311.454 4.442 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cn(C(C)C)nc21)c1cccc(C#N)c1 ZINC000902953424 1046124718 /nfs/dbraw/zinc/12/47/18/1046124718.db2.gz DTHQALKKNZSARF-RTBURBONSA-N 1 0 322.456 4.454 20 30 DIEDRO N#C[C@@H]1CCCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001138250549 1046127488 /nfs/dbraw/zinc/12/74/88/1046127488.db2.gz GMJBNPRZXHMPBX-SFHVURJKSA-N 1 0 324.399 4.140 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](c2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902970540 1046132644 /nfs/dbraw/zinc/13/26/44/1046132644.db2.gz NECXPRQJGUBTBO-SNRMKQJTSA-N 1 0 305.425 4.330 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cc(C#N)ccn1 ZINC000902976888 1046135704 /nfs/dbraw/zinc/13/57/04/1046135704.db2.gz WIPBFMLWVPMWRX-OWQGQXMQSA-N 1 0 309.388 4.079 20 30 DIEDRO C[C@@H]([NH2+]CCCCc1ccc(Cl)s1)c1cc(C#N)ccn1 ZINC000902983071 1046137311 /nfs/dbraw/zinc/13/73/11/1046137311.db2.gz SJABNYRMYNDVML-GFCCVEGCSA-N 1 0 319.861 4.342 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)c1cc(C#N)ccn1 ZINC000903006455 1046139800 /nfs/dbraw/zinc/13/98/00/1046139800.db2.gz IBCDIQFYZUZMQT-XBFCOCLRSA-N 1 0 311.351 4.115 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1c1ccccc1)c1cc(C#N)ccn1 ZINC000903005325 1046139838 /nfs/dbraw/zinc/13/98/38/1046139838.db2.gz SFZGRQVOSDYINZ-SNRMKQJTSA-N 1 0 305.425 4.188 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccc(C#N)c1 ZINC000903013110 1046143057 /nfs/dbraw/zinc/14/30/57/1046143057.db2.gz XANZLUSVNQEZDP-UYSNPLJNSA-N 1 0 308.372 4.149 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2cccnc2)C1 ZINC000903026159 1046144205 /nfs/dbraw/zinc/14/42/05/1046144205.db2.gz MRDJPRFAHNOQBZ-YZGWKJHDSA-N 1 0 305.425 4.037 20 30 DIEDRO CC(C)C1CCC([NH+]2CCN(CCCC(C)(C)C#N)CC2)CC1 ZINC000084680654 1046145091 /nfs/dbraw/zinc/14/50/91/1046145091.db2.gz NGNCHPXMSDXUNE-UHFFFAOYSA-N 1 0 319.537 4.149 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(COC)cs1)c1cccc(C#N)c1 ZINC000903051789 1046148395 /nfs/dbraw/zinc/14/83/95/1046148395.db2.gz XGLBXHXXIAQFKO-QGZVFWFLSA-N 1 0 300.427 4.007 20 30 DIEDRO C=CCCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000756899453 1046149444 /nfs/dbraw/zinc/14/94/44/1046149444.db2.gz HAWUFXKJSQQVAO-GOSISDBHSA-N 1 0 301.455 4.250 20 30 DIEDRO CCc1cccc2c(C[N@@H+]3CCc4cc(C#N)ccc4C3)c[nH]c21 ZINC001138359567 1046154677 /nfs/dbraw/zinc/15/46/77/1046154677.db2.gz FPWWAIYZLLBORY-UHFFFAOYSA-N 1 0 315.420 4.160 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)c1cc(C#N)ccn1 ZINC000903073466 1046155585 /nfs/dbraw/zinc/15/55/85/1046155585.db2.gz SAHVOQQKIHSPLQ-PXAZEXFGSA-N 1 0 311.816 4.335 20 30 DIEDRO CCc1cccc2c(C[N@H+](C)Cc3cccc(C#N)c3)c[nH]c21 ZINC001138363091 1046156538 /nfs/dbraw/zinc/15/65/38/1046156538.db2.gz FCJBKUQDXQVGHF-UHFFFAOYSA-N 1 0 303.409 4.234 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000756997045 1046157257 /nfs/dbraw/zinc/15/72/57/1046157257.db2.gz ULSWKGHWCSUNNB-SFHVURJKSA-N 1 0 315.363 4.185 20 30 DIEDRO CC(=O)OCc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000903078512 1046157292 /nfs/dbraw/zinc/15/72/92/1046157292.db2.gz ICFXXWWFVXBLII-CABCVRRESA-N 1 0 322.408 4.033 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1 ZINC000756997785 1046158277 /nfs/dbraw/zinc/15/82/77/1046158277.db2.gz NEXUNSXJBYJQML-KRWDZBQOSA-N 1 0 301.336 4.142 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OC)c(OCCC)c1)c1ccccc1 ZINC000756996991 1046158324 /nfs/dbraw/zinc/15/83/24/1046158324.db2.gz SWMTZKGGXSRYLM-IBGZPJMESA-N 1 0 323.436 4.338 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000903079609 1046158424 /nfs/dbraw/zinc/15/84/24/1046158424.db2.gz FYOPWNFMFYWBSB-KRWDZBQOSA-N 1 0 309.369 4.016 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cccc(COC(C)=O)c1)c1ccncc1 ZINC000903097061 1046162612 /nfs/dbraw/zinc/16/26/12/1046162612.db2.gz BUQJMTMBUWGFTI-MGPUTAFESA-N 1 0 324.424 4.113 20 30 DIEDRO N#CC1(C[NH2+][C@@H](CCc2cccnc2)c2ccccc2)CCCC1 ZINC000903109334 1046168208 /nfs/dbraw/zinc/16/82/08/1046168208.db2.gz NYTAHJBQMCPDAT-FQEVSTJZSA-N 1 0 319.452 4.429 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000903132023 1046171823 /nfs/dbraw/zinc/17/18/23/1046171823.db2.gz WBGGXHVEPLCSAT-AUUYWEPGSA-N 1 0 324.380 4.019 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000903132025 1046171862 /nfs/dbraw/zinc/17/18/62/1046171862.db2.gz WBGGXHVEPLCSAT-KUHUBIRLSA-N 1 0 324.380 4.019 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc(Cl)c1 ZINC000903151029 1046176476 /nfs/dbraw/zinc/17/64/76/1046176476.db2.gz AFIDNABSHXPVIG-IRXDYDNUSA-N 1 0 315.848 4.148 20 30 DIEDRO CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001138443428 1046182845 /nfs/dbraw/zinc/18/28/45/1046182845.db2.gz DEXPWQRVUGUMRK-MRXNPFEDSA-N 1 0 308.425 4.364 20 30 DIEDRO C=C(C)[C@@H](Nc1nc(C)nc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000475742865 1046190922 /nfs/dbraw/zinc/19/09/22/1046190922.db2.gz COEISWLYBHADFR-OAHLLOKOSA-N 1 0 314.339 4.274 20 30 DIEDRO C=C(C)[C@H](Nc1nc(C)nc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000475742864 1046191223 /nfs/dbraw/zinc/19/12/23/1046191223.db2.gz COEISWLYBHADFR-HNNXBMFYSA-N 1 0 314.339 4.274 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc2c(c1)CCO2 ZINC000903238842 1046205270 /nfs/dbraw/zinc/20/52/70/1046205270.db2.gz YQFDEZCSKULPDY-OLZOCXBDSA-N 1 0 310.372 4.044 20 30 DIEDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C#N)CC3)cc2)cc1 ZINC001138516476 1046209013 /nfs/dbraw/zinc/20/90/13/1046209013.db2.gz MHOSKEOICXVGMT-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc1C#N ZINC000087823516 1046211448 /nfs/dbraw/zinc/21/14/48/1046211448.db2.gz LIQADXFPGGEWIO-SNVBAGLBSA-N 1 0 306.818 4.133 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)sc2C)cc1C#N ZINC000087823634 1046211853 /nfs/dbraw/zinc/21/18/53/1046211853.db2.gz OGBFYRLOHFHAIT-GFCCVEGCSA-N 1 0 300.427 4.096 20 30 DIEDRO COc1cccc(C#N)c1Nc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001204698968 1046221739 /nfs/dbraw/zinc/22/17/39/1046221739.db2.gz AEDCEFWGIOZSHU-UHFFFAOYSA-N 1 0 309.413 4.199 20 30 DIEDRO N#C[C@@H]1CC=C(Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC001212868048 1046225343 /nfs/dbraw/zinc/22/53/43/1046225343.db2.gz HVSKJRIDXPPXDN-GOSISDBHSA-N 1 0 309.457 4.334 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@H](C)c2ccccc2F)cc1 ZINC000245501069 1046237677 /nfs/dbraw/zinc/23/76/77/1046237677.db2.gz BUFVOSNBQIQXPK-HUUCEWRRSA-N 1 0 312.388 4.310 20 30 DIEDRO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000245503102 1046238082 /nfs/dbraw/zinc/23/80/82/1046238082.db2.gz HNBNDBPPUZELIE-IAGOWNOFSA-N 1 0 308.425 4.479 20 30 DIEDRO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000245503103 1046238379 /nfs/dbraw/zinc/23/83/79/1046238379.db2.gz HNBNDBPPUZELIE-SJORKVTESA-N 1 0 308.425 4.479 20 30 DIEDRO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245540847 1046242242 /nfs/dbraw/zinc/24/22/42/1046242242.db2.gz NCIHMRMGPWLZEX-UONOGXRCSA-N 1 0 300.427 4.232 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000903332126 1046244678 /nfs/dbraw/zinc/24/46/78/1046244678.db2.gz HJGRCHABHAQSIV-KBPBESRZSA-N 1 0 308.372 4.065 20 30 DIEDRO C=C(C)C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000783754009 1046245824 /nfs/dbraw/zinc/24/58/24/1046245824.db2.gz OEWBJPHXFNWXDY-UHFFFAOYSA-N 1 0 310.228 4.153 20 30 DIEDRO C=CCc1cccc(C[N@H+](CC)Cc2ccc(OC)cc2)c1O ZINC001138629504 1046246137 /nfs/dbraw/zinc/24/61/37/1046246137.db2.gz BDMPAKWYWJRVPI-UHFFFAOYSA-N 1 0 311.425 4.151 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c1O ZINC001138629665 1046250830 /nfs/dbraw/zinc/25/08/30/1046250830.db2.gz DZNAXOXSNVPDRZ-GOSISDBHSA-N 1 0 323.436 4.119 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001138661562 1046260946 /nfs/dbraw/zinc/26/09/46/1046260946.db2.gz CLCWBGBESWWNNF-ZBFHGGJFSA-N 1 0 307.384 4.119 20 30 DIEDRO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001138662873 1046261262 /nfs/dbraw/zinc/26/12/62/1046261262.db2.gz FUBHLXPDDNAMPF-LJQANCHMSA-N 1 0 308.425 4.374 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000245714001 1046262570 /nfs/dbraw/zinc/26/25/70/1046262570.db2.gz GNNRQJIUXNJJEI-JXXFODFXSA-N 1 0 306.409 4.170 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000245713910 1046263026 /nfs/dbraw/zinc/26/30/26/1046263026.db2.gz GMKYRNNVICJFNB-FXAWDEMLSA-N 1 0 310.441 4.300 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000666238499 1046267744 /nfs/dbraw/zinc/26/77/44/1046267744.db2.gz CRXSWPDASCJEEZ-PBHICJAKSA-N 1 0 322.408 4.371 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1c(C)oc2ccccc21 ZINC000758514727 1046276132 /nfs/dbraw/zinc/27/61/32/1046276132.db2.gz HTJVEFFCMOFEQK-UHFFFAOYSA-N 1 0 305.377 4.043 20 30 DIEDRO CC(C)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000758517937 1046276384 /nfs/dbraw/zinc/27/63/84/1046276384.db2.gz LTLRYMLDCBBSBZ-AYBZRNKSSA-N 1 0 300.446 4.139 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC(c3cccc(F)c3)CC2)ccc1F ZINC000758717334 1046288312 /nfs/dbraw/zinc/28/83/12/1046288312.db2.gz HLBWODZSMPSFGT-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCCC[C@H]2c2ccccc2)cc1 ZINC000245963559 1046288607 /nfs/dbraw/zinc/28/86/07/1046288607.db2.gz DBWRIYVZAOMCNN-LEWJYISDSA-N 1 0 320.436 4.209 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138779473 1046290520 /nfs/dbraw/zinc/29/05/20/1046290520.db2.gz KOOPDIJXAYGDPX-SFHVURJKSA-N 1 0 307.482 4.375 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)CCC(C)C)ccc1OC ZINC000089632200 1046293113 /nfs/dbraw/zinc/29/31/13/1046293113.db2.gz ZIAXQCQAJCWZDM-DOTOQJQBSA-N 1 0 318.461 4.290 20 30 DIEDRO Cc1ccc2cc(CN3CCC[C@H](CC#N)C3)c(Cl)nc2c1 ZINC001138862669 1046313051 /nfs/dbraw/zinc/31/30/51/1046313051.db2.gz NXBQJOOEZWLAFY-CQSZACIVSA-N 1 0 313.832 4.322 20 30 DIEDRO Cc1ccc2cc(CN3CCC[C@H](C#N)CC3)c(Cl)nc2c1 ZINC001138862984 1046313944 /nfs/dbraw/zinc/31/39/44/1046313944.db2.gz WQFDJPHCJHWZBS-AWEZNQCLSA-N 1 0 313.832 4.322 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000237709957 1046316271 /nfs/dbraw/zinc/31/62/71/1046316271.db2.gz QTWHUQWQWBGMKS-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO C=CCN(Cc1ccc(Br)o1)Cc1ccccc1 ZINC001138906175 1046325429 /nfs/dbraw/zinc/32/54/29/1046325429.db2.gz ISIIKJCGPFRYCH-UHFFFAOYSA-N 1 0 306.203 4.230 20 30 DIEDRO Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H](C#N)CC3)ccc21 ZINC001138918552 1046327582 /nfs/dbraw/zinc/32/75/82/1046327582.db2.gz IGWOPJPDCDINAL-INIZCTEOSA-N 1 0 317.436 4.457 20 30 DIEDRO Cn1c2ccccc2c2cc(CN3CC[C@](C)(C#N)C3)ccc21 ZINC001138920427 1046328399 /nfs/dbraw/zinc/32/83/99/1046328399.db2.gz PXFFZHRDZQHFLS-HXUWFJFHSA-N 1 0 303.409 4.067 20 30 DIEDRO Cn1c2ccccc2c2cc(CN3CC[C@@](C)(C#N)C3)ccc21 ZINC001138920426 1046328740 /nfs/dbraw/zinc/32/87/40/1046328740.db2.gz PXFFZHRDZQHFLS-FQEVSTJZSA-N 1 0 303.409 4.067 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1sccc1Br ZINC000037748499 1046333226 /nfs/dbraw/zinc/33/32/26/1046333226.db2.gz INMVDSKPZFNFAX-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000748270201 1046362767 /nfs/dbraw/zinc/36/27/67/1046362767.db2.gz UTRYADUVXSSIMZ-YJYMSZOUSA-N 1 0 310.372 4.066 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC2(CCOC2(C)C)CC1 ZINC001139030743 1046365206 /nfs/dbraw/zinc/36/52/06/1046365206.db2.gz LTUGREKATMTZPL-UHFFFAOYSA-N 1 0 315.457 4.033 20 30 DIEDRO C#CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC001139071092 1046382479 /nfs/dbraw/zinc/38/24/79/1046382479.db2.gz DELDVZQKJFJDAZ-UHFFFAOYSA-N 1 0 305.421 4.207 20 30 DIEDRO CC[N@H+](CCCCCn1cccn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170913078 1046390529 /nfs/dbraw/zinc/39/05/29/1046390529.db2.gz PGIGBTXXCKHRPJ-KRWDZBQOSA-N 1 0 310.445 4.008 20 30 DIEDRO CCCN(CCC)c1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000780781030 1046405273 /nfs/dbraw/zinc/40/52/73/1046405273.db2.gz FYOQBCMGWPWVHR-UHFFFAOYSA-N 1 0 313.489 4.439 20 30 DIEDRO COc1ccc(-c2ccc(CN3CCC[C@@H](C#N)C3)s2)cc1 ZINC001139287344 1046425475 /nfs/dbraw/zinc/42/54/75/1046425475.db2.gz LYZJWABHVXCHGX-AWEZNQCLSA-N 1 0 312.438 4.159 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1ccc(-n2cncn2)cc1 ZINC001139332263 1046429849 /nfs/dbraw/zinc/42/98/49/1046429849.db2.gz LUZPFPQGCUXWEM-UHFFFAOYSA-N 1 0 300.450 4.060 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001254644598 1046434421 /nfs/dbraw/zinc/43/44/21/1046434421.db2.gz ZNRIGRFUAHGRKB-SKDRFNHKSA-N 1 0 302.727 4.141 20 30 DIEDRO CCCCCCCC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001139362526 1046438511 /nfs/dbraw/zinc/43/85/11/1046438511.db2.gz YKFAXBYZJVMGEM-GOSISDBHSA-N 1 0 308.510 4.260 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)CC1CC1 ZINC001139406890 1046443638 /nfs/dbraw/zinc/44/36/38/1046443638.db2.gz ITIRRKTUUDBREW-UHFFFAOYSA-N 1 0 305.425 4.241 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)cc2)c1 ZINC001139405477 1046443803 /nfs/dbraw/zinc/44/38/03/1046443803.db2.gz REYKTXXGAGDQGZ-CTNGQTDRSA-N 1 0 317.436 4.385 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[NH+]3CCCCCCC3)cc2)c1 ZINC001139405779 1046443904 /nfs/dbraw/zinc/44/39/04/1046443904.db2.gz ASGWAGSHOLEHDL-UHFFFAOYSA-N 1 0 305.425 4.386 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000781421354 1046444199 /nfs/dbraw/zinc/44/41/99/1046444199.db2.gz PYUYGJXSJRBGFF-HNNXBMFYSA-N 1 0 323.415 4.148 20 30 DIEDRO C[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CCCC1 ZINC001139425473 1046448491 /nfs/dbraw/zinc/44/84/91/1046448491.db2.gz PPNIBCGNKISPMO-UHFFFAOYSA-N 1 0 307.397 4.120 20 30 DIEDRO CC[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427613 1046450130 /nfs/dbraw/zinc/45/01/30/1046450130.db2.gz MUCBGGVKHYBPQH-INIZCTEOSA-N 1 0 321.424 4.368 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139427679 1046450447 /nfs/dbraw/zinc/45/04/47/1046450447.db2.gz NKKZBIZSXXQZIS-UHFFFAOYSA-N 1 0 307.397 4.144 20 30 DIEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139428276 1046451216 /nfs/dbraw/zinc/45/12/16/1046451216.db2.gz IEMLHQNGELGKSK-LJQANCHMSA-N 1 0 321.424 4.366 20 30 DIEDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)c(F)c1 ZINC001139529402 1046462713 /nfs/dbraw/zinc/46/27/13/1046462713.db2.gz QNIGIQPDFLGVOS-UHFFFAOYSA-N 1 0 302.780 4.373 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000826861263 1046477109 /nfs/dbraw/zinc/47/71/09/1046477109.db2.gz CYMHHIIWWARTSH-GFCCVEGCSA-N 1 0 314.376 4.424 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000826862101 1046479444 /nfs/dbraw/zinc/47/94/44/1046479444.db2.gz UPNDMGHNILOJOK-MRXNPFEDSA-N 1 0 306.409 4.185 20 30 DIEDRO C=C(Cl)C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000781905637 1046484550 /nfs/dbraw/zinc/48/45/50/1046484550.db2.gz OSSYVTMASFABJW-UHFFFAOYSA-N 1 0 307.865 4.282 20 30 DIEDRO CCCN(CCC)c1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC000781925878 1046487673 /nfs/dbraw/zinc/48/76/73/1046487673.db2.gz BMHMKORDUYNSOE-UHFFFAOYSA-N 1 0 313.489 4.439 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000127872817 1046489227 /nfs/dbraw/zinc/48/92/27/1046489227.db2.gz MMAHNVDOEIUPCR-HNNXBMFYSA-N 1 0 311.429 4.337 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000795585578 1046492378 /nfs/dbraw/zinc/49/23/78/1046492378.db2.gz AGCMUEJZOKRTBE-CBZIJGRNSA-N 1 0 300.446 4.139 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000795585579 1046492907 /nfs/dbraw/zinc/49/29/07/1046492907.db2.gz AGCMUEJZOKRTBE-DFGXFYAUSA-N 1 0 300.446 4.139 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000092261475 1046502099 /nfs/dbraw/zinc/50/20/99/1046502099.db2.gz PVCIDUYMTQLQAO-KRWDZBQOSA-N 1 0 306.409 4.166 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2c[nH]c3c2cccc3C#N)cc1 ZINC001139704917 1046502294 /nfs/dbraw/zinc/50/22/94/1046502294.db2.gz DKUVPGXERACYSO-CQSZACIVSA-N 1 0 319.408 4.241 20 30 DIEDRO N#Cc1cccc2c(C[N@@H+]3CCC[C@H]3c3ccccc3)c[nH]c21 ZINC001139704043 1046502395 /nfs/dbraw/zinc/50/23/95/1046502395.db2.gz ZYOUWYZCSYVVTG-IBGZPJMESA-N 1 0 301.393 4.377 20 30 DIEDRO Cc1cc(O)cc(C)c1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001139713771 1046504603 /nfs/dbraw/zinc/50/46/03/1046504603.db2.gz IRVWTRSRCLWRHK-UHFFFAOYSA-N 1 0 320.436 4.260 20 30 DIEDRO CS[C@@H]1CCC[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C1 ZINC001202970950 1046516779 /nfs/dbraw/zinc/51/67/79/1046516779.db2.gz NQIGZLHNMNBYAV-IAGOWNOFSA-N 1 0 300.471 4.201 20 30 DIEDRO C=C(C)C[N@H+](CC)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000641849522 1046519789 /nfs/dbraw/zinc/51/97/89/1046519789.db2.gz BUOLLARKLNFOSD-QGZVFWFLSA-N 1 0 322.452 4.053 20 30 DIEDRO C[C@H](c1ccco1)[N@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000092483941 1046521253 /nfs/dbraw/zinc/52/12/53/1046521253.db2.gz XSULVFWTJZMCPW-MRXNPFEDSA-N 1 0 323.440 4.355 20 30 DIEDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000359877352 1046527164 /nfs/dbraw/zinc/52/71/64/1046527164.db2.gz PUKQNFDVLVOCDZ-OXQOHEQNSA-N 1 0 319.452 4.466 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000359877356 1046527700 /nfs/dbraw/zinc/52/77/00/1046527700.db2.gz PUKQNFDVLVOCDZ-UZLBHIALSA-N 1 0 319.452 4.466 20 30 DIEDRO C[C@@H]([NH2+]CCCCCCO)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782523848 1046531766 /nfs/dbraw/zinc/53/17/66/1046531766.db2.gz MHNLOAQOOZJIPN-QGZVFWFLSA-N 1 0 322.452 4.429 20 30 DIEDRO C[N@H+](CCc1cccc(Cl)c1)Cc1cc(F)cc(C#N)c1 ZINC001139875591 1046539171 /nfs/dbraw/zinc/53/91/71/1046539171.db2.gz VMQUXDQFIBBZTA-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C[N@H+](CCc1ccccc1Cl)Cc1cc(F)cc(C#N)c1 ZINC001139875170 1046539308 /nfs/dbraw/zinc/53/93/08/1046539308.db2.gz JFOWWRXTJJUEMV-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC001139876146 1046540548 /nfs/dbraw/zinc/54/05/48/1046540548.db2.gz MURUUZFFXHONOU-MRXNPFEDSA-N 1 0 314.791 4.340 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)CCc1n[nH]c2ccccc21)c1ccccc1 ZINC000782772365 1046542237 /nfs/dbraw/zinc/54/22/37/1046542237.db2.gz APZWUCZDLZKZRA-APWZRJJASA-N 1 0 317.436 4.238 20 30 DIEDRO Cn1ncc2cc(C[N@H+](CCC#N)C3CCCCCCC3)ccc21 ZINC001139951687 1046558344 /nfs/dbraw/zinc/55/83/44/1046558344.db2.gz MMRPTFBJYPHIHP-UHFFFAOYSA-N 1 0 324.472 4.402 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccn1 ZINC000729678723 1046575850 /nfs/dbraw/zinc/57/58/50/1046575850.db2.gz HTMQYBAOSWOKKN-IBGZPJMESA-N 1 0 322.456 4.062 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)nc1 ZINC000783294424 1046576226 /nfs/dbraw/zinc/57/62/26/1046576226.db2.gz QFRNPWHUSYQZAU-GOSISDBHSA-N 1 0 311.816 4.164 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccn1 ZINC000729678891 1046576385 /nfs/dbraw/zinc/57/63/85/1046576385.db2.gz LSEMYJAZOCBBFN-MAUKXSAKSA-N 1 0 309.413 4.003 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)nc1 ZINC000783300184 1046577397 /nfs/dbraw/zinc/57/73/97/1046577397.db2.gz JVTZKSWPZGTEDY-NRFANRHFSA-N 1 0 319.452 4.234 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000783312096 1046579435 /nfs/dbraw/zinc/57/94/35/1046579435.db2.gz ZQLDEDVZGJSONR-PBHICJAKSA-N 1 0 307.821 4.161 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000783325280 1046581965 /nfs/dbraw/zinc/58/19/65/1046581965.db2.gz IDMWIVUNKSKFFI-CAOSSQGBSA-N 1 0 310.482 4.013 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)C1 ZINC001140096364 1046588936 /nfs/dbraw/zinc/58/89/36/1046588936.db2.gz RPHLCAUXUIMCIW-CYBMUJFWSA-N 1 0 315.417 4.075 20 30 DIEDRO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccc(Cl)cc1 ZINC001140114384 1046590214 /nfs/dbraw/zinc/59/02/14/1046590214.db2.gz OOVDNXIJFFTNAF-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H](c4ccccc4F)C3)c2c1 ZINC001140114750 1046591749 /nfs/dbraw/zinc/59/17/49/1046591749.db2.gz YHHPZVQOIBYBKD-HNNXBMFYSA-N 1 0 319.383 4.168 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ccccc21 ZINC001140110951 1046592181 /nfs/dbraw/zinc/59/21/81/1046592181.db2.gz VMWNQWIUALHYOQ-CQSZACIVSA-N 1 0 301.393 4.159 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@H]3c3cccnc3)c2c1 ZINC001140114377 1046592899 /nfs/dbraw/zinc/59/28/99/1046592899.db2.gz OKONFBCJUCNWDP-FQEVSTJZSA-N 1 0 316.408 4.162 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H](c4ccc(F)cc4)C3)c2c1 ZINC001140115007 1046592934 /nfs/dbraw/zinc/59/29/34/1046592934.db2.gz JGWVWQQZAFPBPO-INIZCTEOSA-N 1 0 319.383 4.168 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1 ZINC001140116431 1046594408 /nfs/dbraw/zinc/59/44/08/1046594408.db2.gz YTLQPAAWPAAXID-UHFFFAOYSA-N 1 0 301.393 4.228 20 30 DIEDRO COc1cccc([C@H]2CCCCN2Cc2ccc(C#N)cc2F)c1 ZINC001140137295 1046598772 /nfs/dbraw/zinc/59/87/72/1046598772.db2.gz BCOJTYNSPZURCD-HXUWFJFHSA-N 1 0 324.399 4.433 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(OCC#N)cc1 ZINC000729686045 1046599225 /nfs/dbraw/zinc/59/92/25/1046599225.db2.gz ULVGRVCTCSNAMD-DEYYWGMASA-N 1 0 310.397 4.156 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC001140147767 1046601532 /nfs/dbraw/zinc/60/15/32/1046601532.db2.gz VKRAFMORIHSCMC-IPMKNSEASA-N 1 0 322.537 4.458 20 30 DIEDRO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000245411859 1046604758 /nfs/dbraw/zinc/60/47/58/1046604758.db2.gz YVFDUZNQLZQMTB-JFIYKMOQSA-N 1 0 300.446 4.167 20 30 DIEDRO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000245411860 1046604834 /nfs/dbraw/zinc/60/48/34/1046604834.db2.gz YVFDUZNQLZQMTB-NUJGCVRESA-N 1 0 300.446 4.167 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccncc2)cc1 ZINC001140171536 1046605899 /nfs/dbraw/zinc/60/58/99/1046605899.db2.gz QJPTYPYYXVBCJG-IRTIRVBGSA-N 1 0 303.409 4.015 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000678273841 1046607200 /nfs/dbraw/zinc/60/72/00/1046607200.db2.gz ADZYHTIFJTXTBL-UHFFFAOYSA-N 1 0 309.413 4.231 20 30 DIEDRO N#Cc1csc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000093319354 1046621902 /nfs/dbraw/zinc/62/19/02/1046621902.db2.gz MPHNSIWXPSQXPC-UHFFFAOYSA-N 1 0 312.438 4.270 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)C(C)(C)CC)ccc1OC ZINC000834645280 1046644595 /nfs/dbraw/zinc/64/45/95/1046644595.db2.gz AFTGSZBSBNGDFU-GDBMZVCRSA-N 1 0 318.461 4.290 20 30 DIEDRO C=CCC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000533058903 1046646315 /nfs/dbraw/zinc/64/63/15/1046646315.db2.gz UCDMXTZESIAOBO-MRXNPFEDSA-N 1 0 301.821 4.443 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)c2sccc21 ZINC000834672389 1046648941 /nfs/dbraw/zinc/64/89/41/1046648941.db2.gz FVBNECGGLRPFOT-BZNIZROVSA-N 1 0 300.402 4.487 20 30 DIEDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)c2sccc21 ZINC000834672391 1046649035 /nfs/dbraw/zinc/64/90/35/1046649035.db2.gz FVBNECGGLRPFOT-MEDUHNTESA-N 1 0 300.402 4.487 20 30 DIEDRO N#CCC[N@H+](Cc1ccccc1-c1cccnc1)C1CCCC1 ZINC001140317079 1046651395 /nfs/dbraw/zinc/65/13/95/1046651395.db2.gz BPBBYLROHYCJST-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO C#CCCCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000784049077 1046655431 /nfs/dbraw/zinc/65/54/31/1046655431.db2.gz YMNQUYMPXVQCMU-CQSZACIVSA-N 1 0 312.276 4.355 20 30 DIEDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(CC#N)cc2)cc1 ZINC000784125253 1046662387 /nfs/dbraw/zinc/66/23/87/1046662387.db2.gz OBGMIRUCRWFOCV-UHFFFAOYSA-N 1 0 321.468 4.231 20 30 DIEDRO N#CCC[N@H+](Cc1ccc(-c2ccccn2)cc1)C1CCCC1 ZINC001140379063 1046678676 /nfs/dbraw/zinc/67/86/76/1046678676.db2.gz JPCBSDNTPBPSIF-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO C=C(CC)C[NH2+]C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000678610434 1046679188 /nfs/dbraw/zinc/67/91/88/1046679188.db2.gz FWOPGBZSYLBFNJ-UHFFFAOYSA-N 1 0 311.425 4.349 20 30 DIEDRO C[N@H+](Cc1ccc(-c2ccccn2)cc1)Cc1cccc(C#N)c1 ZINC001140382731 1046681195 /nfs/dbraw/zinc/68/11/95/1046681195.db2.gz ZEPPWSIUYJWWKC-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000795829724 1046683662 /nfs/dbraw/zinc/68/36/62/1046683662.db2.gz HFEAYKALZZDZPB-OVWQWFNUSA-N 1 0 300.446 4.312 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[NH+](C(C)C)C(C)C ZINC000678714425 1046691821 /nfs/dbraw/zinc/69/18/21/1046691821.db2.gz XPMTUKPPTYHFFD-UHFFFAOYSA-N 1 0 306.475 4.022 20 30 DIEDRO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)c1 ZINC000784495074 1046693892 /nfs/dbraw/zinc/69/38/92/1046693892.db2.gz RWPOCXZFFCCDOB-IBGZPJMESA-N 1 0 320.436 4.195 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)CCCCO)cc1 ZINC000834878097 1046694742 /nfs/dbraw/zinc/69/47/42/1046694742.db2.gz MQPGJGBTZKVQBU-GJZGRUSLSA-N 1 0 311.853 4.020 20 30 DIEDRO C[C@@]1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1(Cl)Cl ZINC000834884112 1046696852 /nfs/dbraw/zinc/69/68/52/1046696852.db2.gz KJMBYJKMYWQMDS-GJZGRUSLSA-N 1 0 309.240 4.109 20 30 DIEDRO C=C(C)COc1cc(CNc2cc(C)cc(C)[nH+]2)ccc1OC ZINC000533329315 1046697028 /nfs/dbraw/zinc/69/70/28/1046697028.db2.gz FUILCMQMWDCYOY-UHFFFAOYSA-N 1 0 312.413 4.274 20 30 DIEDRO CC(C)=CCC[C@@H](C)CC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000795933438 1046697663 /nfs/dbraw/zinc/69/76/63/1046697663.db2.gz IOUFBMNXZUYKHI-QGZVFWFLSA-N 1 0 300.446 4.451 20 30 DIEDRO C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc(C#N)c(F)c1 ZINC000834892227 1046702749 /nfs/dbraw/zinc/70/27/49/1046702749.db2.gz KWSBXDSYJOAMCR-HZMBPMFUSA-N 1 0 315.219 4.322 20 30 DIEDRO N#Cc1ccc(F)c(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000533353097 1046705070 /nfs/dbraw/zinc/70/50/70/1046705070.db2.gz MUJDXQSMTYVQRP-HXUWFJFHSA-N 1 0 306.384 4.349 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@H](CCCOC)c2ccc(F)cc2)c1 ZINC000834902736 1046712669 /nfs/dbraw/zinc/71/26/69/1046712669.db2.gz KPVHYFPBVHVVTD-HXUWFJFHSA-N 1 0 311.400 4.065 20 30 DIEDRO CC[NH+](CC)Cc1cccc(NCc2ccc(C#N)cc2F)c1 ZINC000533448813 1046722928 /nfs/dbraw/zinc/72/29/28/1046722928.db2.gz XPUNLCPXHNKZFL-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](Cc2ccno2)C(C)(C)C)cc1 ZINC000533483272 1046735065 /nfs/dbraw/zinc/73/50/65/1046735065.db2.gz YXLJYHJNJQBZSC-UHFFFAOYSA-N 1 0 300.402 4.040 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCc3ccc(C)cc32)cc(OC)c1O ZINC000678932388 1046737997 /nfs/dbraw/zinc/73/79/97/1046737997.db2.gz UXOLWSVIAKRLQP-IBGZPJMESA-N 1 0 323.436 4.215 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccco1 ZINC000796820739 1046741400 /nfs/dbraw/zinc/74/14/00/1046741400.db2.gz VYSLPPNSJCHJKT-LSDHHAIUSA-N 1 0 323.795 4.403 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(OC)ccc1C#N ZINC001211993760 1046741748 /nfs/dbraw/zinc/74/17/48/1046741748.db2.gz DTUKLGWFPBPAEZ-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)cc1C#N ZINC000533538579 1046749032 /nfs/dbraw/zinc/74/90/32/1046749032.db2.gz GSBYWCUUAPOHKC-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(OC)c(C#N)c1 ZINC001211994022 1046749228 /nfs/dbraw/zinc/74/92/28/1046749228.db2.gz JVCLEIXBLNZTMA-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO C=CCC(C)(C)C(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000796895791 1046755249 /nfs/dbraw/zinc/75/52/49/1046755249.db2.gz AIRGUCVBCJMYKZ-GOSISDBHSA-N 1 0 315.457 4.044 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccco1 ZINC000796941587 1046760357 /nfs/dbraw/zinc/76/03/57/1046760357.db2.gz ODJSZZTWEHCNDN-FUHWJXTLSA-N 1 0 319.832 4.438 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccco1 ZINC000796941589 1046760692 /nfs/dbraw/zinc/76/06/92/1046760692.db2.gz ODJSZZTWEHCNDN-WMZOPIPTSA-N 1 0 319.832 4.438 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(C#N)ccc1OC ZINC001211996385 1046765366 /nfs/dbraw/zinc/76/53/66/1046765366.db2.gz XTGVGZOMRMCICL-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(C#N)cc1C#N ZINC001211997628 1046772628 /nfs/dbraw/zinc/77/26/28/1046772628.db2.gz CFWZRTUHWQSSEI-UHFFFAOYSA-N 1 0 304.397 4.015 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001140558982 1046781892 /nfs/dbraw/zinc/78/18/92/1046781892.db2.gz LFYAPPLGBUEJLQ-NSHDSACASA-N 1 0 317.738 4.084 20 30 DIEDRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001140592474 1046799750 /nfs/dbraw/zinc/79/97/50/1046799750.db2.gz NIENUCMGFKQMFJ-FQEVSTJZSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001140594848 1046803347 /nfs/dbraw/zinc/80/33/47/1046803347.db2.gz RLOFGWXLOPLQQD-FQEVSTJZSA-N 1 0 324.399 4.049 20 30 DIEDRO N#Cc1ccc(Cl)c(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001140603036 1046806261 /nfs/dbraw/zinc/80/62/61/1046806261.db2.gz XHMIGUKDONTDRU-HNNXBMFYSA-N 1 0 306.812 4.316 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679356334 1046825210 /nfs/dbraw/zinc/82/52/10/1046825210.db2.gz UEVRUJYSIPYMKH-RCBQFDQVSA-N 1 0 324.262 4.223 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(CC#N)cc2)C1 ZINC000248427422 1046845515 /nfs/dbraw/zinc/84/55/15/1046845515.db2.gz NFTPRZVHXZUZEV-OXJNMPFZSA-N 1 0 305.425 4.000 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000248633834 1046847898 /nfs/dbraw/zinc/84/78/98/1046847898.db2.gz SKMUURJAOUMEGB-MSOLQXFVSA-N 1 0 320.521 4.092 20 30 DIEDRO CCC[N@H+](CCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000076746529 1046867414 /nfs/dbraw/zinc/86/74/14/1046867414.db2.gz PQNRZCNLFSRXSJ-FQEVSTJZSA-N 1 0 313.489 4.057 20 30 DIEDRO Nc1ccc(Cl)cc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001140718054 1046871525 /nfs/dbraw/zinc/87/15/25/1046871525.db2.gz CNJPMBNTWQUZTP-UHFFFAOYSA-N 1 0 324.855 4.186 20 30 DIEDRO C=CCOCC[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000679576937 1046873243 /nfs/dbraw/zinc/87/32/43/1046873243.db2.gz ZACBUOGVNDPNTQ-OAHLLOKOSA-N 1 0 301.352 4.195 20 30 DIEDRO Cc1c(O)ccc(C[N@H+](CCC#N)C2CCCCCCC2)c1O ZINC001140745337 1046882131 /nfs/dbraw/zinc/88/21/31/1046882131.db2.gz GHQDGLZMFWFJFL-UHFFFAOYSA-N 1 0 316.445 4.235 20 30 DIEDRO COc1ccccc1CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000303176188 1046884613 /nfs/dbraw/zinc/88/46/13/1046884613.db2.gz SBUDXONDWOKNCC-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(C)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756573 1046888520 /nfs/dbraw/zinc/88/85/20/1046888520.db2.gz NGIDPQRBQXFDCH-UHFFFAOYSA-N 1 0 314.379 4.475 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237421096 1046898882 /nfs/dbraw/zinc/89/88/82/1046898882.db2.gz YDEIXSDFTXGZIN-SNVBAGLBSA-N 1 0 306.749 4.172 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000797878268 1046899957 /nfs/dbraw/zinc/89/99/57/1046899957.db2.gz RLZVFPXZWLIKMD-UKRRQHHQSA-N 1 0 313.413 4.072 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)cc1 ZINC000797877276 1046901027 /nfs/dbraw/zinc/90/10/27/1046901027.db2.gz YATWBEZQEMOHAD-IYARVYRRSA-N 1 0 323.411 4.264 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c1Cl ZINC001140812978 1046913466 /nfs/dbraw/zinc/91/34/66/1046913466.db2.gz QSWFQRJRBMCTGA-UHFFFAOYSA-N 1 0 306.812 4.316 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1ccc2c(c1)CCCO2 ZINC000797999296 1046917423 /nfs/dbraw/zinc/91/74/23/1046917423.db2.gz SONVUEZIYGRDLF-GGPKGHCWSA-N 1 0 315.457 4.034 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000797999281 1046917876 /nfs/dbraw/zinc/91/78/76/1046917876.db2.gz SHRMSSMKQMULOK-PVUWLOKVSA-N 1 0 309.837 4.068 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1ccco1 ZINC000475997736 1046935966 /nfs/dbraw/zinc/93/59/66/1046935966.db2.gz LDRBOIKLNUBVKX-MRXNPFEDSA-N 1 0 315.413 4.136 20 30 DIEDRO CN(C)c1ccc(CN(CCC#N)C2CCCC2)c(Cl)c1 ZINC001140923855 1046952200 /nfs/dbraw/zinc/95/22/00/1046952200.db2.gz JOTCDFXCFWDTTL-UHFFFAOYSA-N 1 0 305.853 4.064 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1c(F)cc(Br)cc1F ZINC001258721550 1046957362 /nfs/dbraw/zinc/95/73/62/1046957362.db2.gz YYZRBEWTFDSBEF-VIFPVBQESA-N 1 0 304.178 4.172 20 30 DIEDRO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001140963719 1046964420 /nfs/dbraw/zinc/96/44/20/1046964420.db2.gz FLBPFNGAYXETAS-CYBMUJFWSA-N 1 0 312.335 4.019 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](CC(C)C)c2ccc(OC)cc2)CC1 ZINC000647288009 1046967401 /nfs/dbraw/zinc/96/74/01/1046967401.db2.gz AVMLCEXYRJKBSH-HXUWFJFHSA-N 1 0 316.489 4.022 20 30 DIEDRO CCCCCCCC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001137408536 1046976079 /nfs/dbraw/zinc/97/60/79/1046976079.db2.gz MITLKTSPHQYPHJ-IEBWSBKVSA-N 1 0 316.489 4.126 20 30 DIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000798925387 1046987646 /nfs/dbraw/zinc/98/76/46/1046987646.db2.gz AHTQONPOFPFTSF-OALUTQOASA-N 1 0 305.425 4.078 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCCc2c[nH]c3cccc(C)c23)c1 ZINC000303971422 1047012054 /nfs/dbraw/zinc/01/20/54/1047012054.db2.gz DRNLCUFTECZKED-UHFFFAOYSA-N 1 0 320.440 4.062 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCCc2cc(F)cc(F)c2)c1 ZINC000303988063 1047012451 /nfs/dbraw/zinc/01/24/51/1047012451.db2.gz WDSKVCQEKLJMJZ-UHFFFAOYSA-N 1 0 317.383 4.058 20 30 DIEDRO CCCCCCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000836939724 1047013451 /nfs/dbraw/zinc/01/34/51/1047013451.db2.gz XWEDKIAWBOWZHK-AYHJJNSGSA-N 1 0 308.510 4.259 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c1Cl ZINC001141112963 1047018590 /nfs/dbraw/zinc/01/85/90/1047018590.db2.gz RGEDPAPQYQIEBK-ZDUSSCGKSA-N 1 0 323.893 4.400 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1F ZINC000799344675 1047019663 /nfs/dbraw/zinc/01/96/63/1047019663.db2.gz YDTJILMTVTUHGY-UHFFFAOYSA-N 1 0 317.452 4.091 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000799344196 1047021364 /nfs/dbraw/zinc/02/13/64/1047021364.db2.gz SYZKSWMJMYRLFX-UHFFFAOYSA-N 1 0 311.473 4.096 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000252734641 1047029909 /nfs/dbraw/zinc/02/99/09/1047029909.db2.gz YSNROAAUCRUIIG-CWPLJXCYSA-N 1 0 320.436 4.271 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cc1 ZINC001203098760 1047029916 /nfs/dbraw/zinc/02/99/16/1047029916.db2.gz CLWQKIKTMLEJQT-MRXNPFEDSA-N 1 0 316.408 4.045 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC001141167595 1047033185 /nfs/dbraw/zinc/03/31/85/1047033185.db2.gz QWFDSZNDPUIPNK-MRXNPFEDSA-N 1 0 324.399 4.086 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1 ZINC001141219617 1047049264 /nfs/dbraw/zinc/04/92/64/1047049264.db2.gz SCBDDFZWRQENGS-UHFFFAOYSA-N 1 0 306.331 4.385 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCC2(Sc3ccccc3)CC2)c1 ZINC000304755792 1047050314 /nfs/dbraw/zinc/05/03/14/1047050314.db2.gz NBNLCQKABRTJBI-UHFFFAOYSA-N 1 0 311.454 4.047 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)Oc2ccccc2)c1 ZINC000304765772 1047054390 /nfs/dbraw/zinc/05/43/90/1047054390.db2.gz ZSCDYAHTGFTKMZ-OAHLLOKOSA-N 1 0 311.429 4.004 20 30 DIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C#N)cc2F)cc1 ZINC000304765532 1047054648 /nfs/dbraw/zinc/05/46/48/1047054648.db2.gz ZJXPALLXAPZHNV-CYBMUJFWSA-N 1 0 324.403 4.138 20 30 DIEDRO CCC(CC)c1cc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)on1 ZINC000304783881 1047054911 /nfs/dbraw/zinc/05/49/11/1047054911.db2.gz HJJDLRPABQIRDO-UHFFFAOYSA-N 1 0 314.433 4.122 20 30 DIEDRO CCc1ccccc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001141229289 1047055601 /nfs/dbraw/zinc/05/56/01/1047055601.db2.gz ATYFJAPPFVITTE-UHFFFAOYSA-N 1 0 322.427 4.445 20 30 DIEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Cl)ccc1O ZINC000799725438 1047056949 /nfs/dbraw/zinc/05/69/49/1047056949.db2.gz HCELHANKDFJVJT-SEEARECTSA-N 1 0 306.837 4.416 20 30 DIEDRO Cc1c([C@H](C)[NH2+]CC2CCC(C#N)CC2)cnn1-c1ccccc1 ZINC000799726932 1047057008 /nfs/dbraw/zinc/05/70/08/1047057008.db2.gz SVLCBCYIJXFMJP-ZLPCBKJTSA-N 1 0 322.456 4.161 20 30 DIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000536664068 1047057439 /nfs/dbraw/zinc/05/74/39/1047057439.db2.gz DBQLCWIQWKQBGO-WOJBJXKFSA-N 1 0 320.436 4.275 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cccc(-n2ccnc2)c1 ZINC001141243177 1047060857 /nfs/dbraw/zinc/06/08/57/1047060857.db2.gz YWPUAYQUIGJMDL-UHFFFAOYSA-N 1 0 317.436 4.451 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(NC(C)=O)cc1)CC1CCCCC1 ZINC000536673267 1047063818 /nfs/dbraw/zinc/06/38/18/1047063818.db2.gz INMWEQYZNSXFJP-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO CCCC[C@@H](CCC)CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000304842452 1047064259 /nfs/dbraw/zinc/06/42/59/1047064259.db2.gz RIGDYMNSZCWWLA-CQSZACIVSA-N 1 0 321.465 4.037 20 30 DIEDRO [NH2+]=C(NCCCOc1ccc2ccccc2c1)Nc1ccccc1 ZINC000305048350 1047089356 /nfs/dbraw/zinc/08/93/56/1047089356.db2.gz GIQJODGOYPOWSO-UHFFFAOYSA-N 1 0 319.408 4.036 20 30 DIEDRO CCC1(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CCCC1 ZINC000305068566 1047090613 /nfs/dbraw/zinc/09/06/13/1047090613.db2.gz IRHAEVQYGXRZCJ-UHFFFAOYSA-N 1 0 309.841 4.046 20 30 DIEDRO C=C(CC)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000536905767 1047122759 /nfs/dbraw/zinc/12/27/59/1047122759.db2.gz VRWSHPOHWJZCET-UHFFFAOYSA-N 1 0 315.436 4.057 20 30 DIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000536995185 1047125712 /nfs/dbraw/zinc/12/57/12/1047125712.db2.gz SXYUDCDKGKHWHT-MRXNPFEDSA-N 1 0 315.457 4.335 20 30 DIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCOc2ccccc2C#N)c1 ZINC000537023883 1047133510 /nfs/dbraw/zinc/13/35/10/1047133510.db2.gz QGVHUGNDSLQQNL-INIZCTEOSA-N 1 0 324.424 4.075 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000537095287 1047137025 /nfs/dbraw/zinc/13/70/25/1047137025.db2.gz RWTPFUMNWMQYMX-BBRMVZONSA-N 1 0 315.379 4.177 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC001116466771 1047144633 /nfs/dbraw/zinc/14/46/33/1047144633.db2.gz IAWHNVCROBOQAN-SFTDATJTSA-N 1 0 320.436 4.405 20 30 DIEDRO CC(C)[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OCC#N)c1 ZINC001116461620 1047145273 /nfs/dbraw/zinc/14/52/73/1047145273.db2.gz TZCDZKIQWWYUJB-OAQYLSRUSA-N 1 0 322.452 4.336 20 30 DIEDRO N#Cc1cccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)c1 ZINC000537245957 1047155893 /nfs/dbraw/zinc/15/58/93/1047155893.db2.gz OYSFUKHZRLUOPC-UHFFFAOYSA-N 1 0 306.409 4.080 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3C)o2)C1 ZINC001116554684 1047157065 /nfs/dbraw/zinc/15/70/65/1047157065.db2.gz AZXWAJUIWZIHDL-INIZCTEOSA-N 1 0 315.388 4.171 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000537297412 1047160897 /nfs/dbraw/zinc/16/08/97/1047160897.db2.gz ZDPYFFIXDDLWLD-VHKYSDTDSA-N 1 0 324.399 4.268 20 30 DIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)c2cccc(C#N)c2)C1 ZINC000537294768 1047161613 /nfs/dbraw/zinc/16/16/13/1047161613.db2.gz DRIGLPOPLZDUMK-SJORKVTESA-N 1 0 313.489 4.109 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC001116620882 1047163827 /nfs/dbraw/zinc/16/38/27/1047163827.db2.gz ONQPJIHIBKQVKO-MFKMUULPSA-N 1 0 308.472 4.032 20 30 DIEDRO Cc1ccc(NC2CC(C#N)(c3ccccc3)C2)c(C[NH+](C)C)c1 ZINC001116706594 1047170308 /nfs/dbraw/zinc/17/03/08/1047170308.db2.gz KCONSPQEWQLDPY-UHFFFAOYSA-N 1 0 319.452 4.093 20 30 DIEDRO CC(C)(C#N)CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000537366659 1047176808 /nfs/dbraw/zinc/17/68/08/1047176808.db2.gz VZDWMWPBPICYOJ-UHFFFAOYSA-N 1 0 313.420 4.426 20 30 DIEDRO CC(C)(C#N)CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000537364334 1047176870 /nfs/dbraw/zinc/17/68/70/1047176870.db2.gz VMUSAQKBTZBSFN-UHFFFAOYSA-N 1 0 311.404 4.336 20 30 DIEDRO C=CC1(CC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CCCCC1 ZINC001141548872 1047177302 /nfs/dbraw/zinc/17/73/02/1047177302.db2.gz MFZHIYRXFJVVFI-SFHVURJKSA-N 1 0 320.521 4.140 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)c(F)c1 ZINC000537407408 1047180992 /nfs/dbraw/zinc/18/09/92/1047180992.db2.gz PDFGOZPJIAEDQB-NWDGAFQWSA-N 1 0 313.332 4.017 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(C#N)c(F)c1 ZINC000537407965 1047181060 /nfs/dbraw/zinc/18/10/60/1047181060.db2.gz SFGKFIWUKGGSBV-AWEZNQCLSA-N 1 0 319.383 4.139 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649916930 1047190198 /nfs/dbraw/zinc/19/01/98/1047190198.db2.gz TYAQFGKJPLBSGJ-FKBYEOEOSA-N 1 0 317.432 4.033 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1SC1CCCC1 ZINC001141571794 1047196711 /nfs/dbraw/zinc/19/67/11/1047196711.db2.gz JIPUEEXNMKFAQA-UHFFFAOYSA-N 1 0 318.486 4.168 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000839179312 1047201754 /nfs/dbraw/zinc/20/17/54/1047201754.db2.gz JGELLDPNGONZFA-UHFFFAOYSA-N 1 0 307.384 4.002 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000839170416 1047202219 /nfs/dbraw/zinc/20/22/19/1047202219.db2.gz MFKYVVDDWIDELX-SFTDATJTSA-N 1 0 320.436 4.357 20 30 DIEDRO C=C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC001141590388 1047208287 /nfs/dbraw/zinc/20/82/87/1047208287.db2.gz FZBHRFVCUPDLHO-HXUWFJFHSA-N 1 0 320.436 4.191 20 30 DIEDRO C#CCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000760328265 1047213224 /nfs/dbraw/zinc/21/32/24/1047213224.db2.gz FBEZWIFHQCIPPV-CQSZACIVSA-N 1 0 312.638 4.093 20 30 DIEDRO CC(C)[C@H]([NH2+]CCC1(C#N)CCCCC1)[C@H](O)c1ccccc1 ZINC000839602087 1047251488 /nfs/dbraw/zinc/25/14/88/1047251488.db2.gz OWIIAFCXAYRNEG-RBUKOAKNSA-N 1 0 314.473 4.198 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000897628897 1047252479 /nfs/dbraw/zinc/25/24/79/1047252479.db2.gz OQLJREUTMNBUNY-HIFRSBDPSA-N 1 0 317.845 4.094 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000683013655 1047258342 /nfs/dbraw/zinc/25/83/42/1047258342.db2.gz ICPSKIMNPVNHKJ-FQEVSTJZSA-N 1 0 314.432 4.399 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cncc3ccccc32)cc1 ZINC000796443423 1047288188 /nfs/dbraw/zinc/28/81/88/1047288188.db2.gz UQNSHXHYJSHUMX-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001203114213 1047292413 /nfs/dbraw/zinc/29/24/13/1047292413.db2.gz ZPZARBZGKRPDQJ-ZBFHGGJFSA-N 1 0 321.848 4.336 20 30 DIEDRO C[C@H](Cc1cccnc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000897970928 1047302293 /nfs/dbraw/zinc/30/22/93/1047302293.db2.gz VJXQAOVXYSGXIF-MDMXATFFSA-N 1 0 319.452 4.006 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@H]2c2ccccc2C)ccc1C#N ZINC001141932103 1047311238 /nfs/dbraw/zinc/31/12/38/1047311238.db2.gz SSXXBWSQQJENSI-SFHVURJKSA-N 1 0 323.465 4.321 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC000898013944 1047312101 /nfs/dbraw/zinc/31/21/01/1047312101.db2.gz KTZKPBQMPFZKQY-AWEZNQCLSA-N 1 0 304.384 4.157 20 30 DIEDRO CSc1nc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)ccc1C#N ZINC001141938939 1047312194 /nfs/dbraw/zinc/31/21/94/1047312194.db2.gz KDOMWOIPFBQPJX-KRWDZBQOSA-N 1 0 323.465 4.055 20 30 DIEDRO C[C@H](CCC#N)C[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000898130355 1047319593 /nfs/dbraw/zinc/31/95/93/1047319593.db2.gz GXKZETXPVPUSKR-CQSZACIVSA-N 1 0 318.848 4.175 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C1CCCCC1 ZINC000725853031 1047322251 /nfs/dbraw/zinc/32/22/51/1047322251.db2.gz NAZPPXAAOGFQOQ-FQEVSTJZSA-N 1 0 313.489 4.485 20 30 DIEDRO Cc1scc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1C ZINC000399813267 1047329968 /nfs/dbraw/zinc/32/99/68/1047329968.db2.gz KZCQGTXNLFHPGA-CYBMUJFWSA-N 1 0 300.427 4.118 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)CCOC)cc1 ZINC000840836202 1047341296 /nfs/dbraw/zinc/34/12/96/1047341296.db2.gz GAHPUUQOTZCWTG-HIFRSBDPSA-N 1 0 311.853 4.141 20 30 DIEDRO C=C(C)CNC(=S)Nc1ccc2c(c1)C[N@H+]([C@H](C)CCC)C2 ZINC000726496430 1047363549 /nfs/dbraw/zinc/36/35/49/1047363549.db2.gz XHJPWJQZFHYNCC-CQSZACIVSA-N 1 0 317.502 4.053 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC000192555559 1047383067 /nfs/dbraw/zinc/38/30/67/1047383067.db2.gz ZVSLQCUSRVTSGR-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCCCO2 ZINC001142271534 1047420380 /nfs/dbraw/zinc/42/03/80/1047420380.db2.gz NHWGJQQYQPEDEC-UHFFFAOYSA-N 1 0 309.409 4.036 20 30 DIEDRO O=C1C=C2C[N@@H+](Cc3ccccc3-c3ccccc3)CC[C@H]2S1 ZINC001142334674 1047433905 /nfs/dbraw/zinc/43/39/05/1047433905.db2.gz DDUNOVRYPZTVJF-LJQANCHMSA-N 1 0 321.445 4.128 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1c[nH]c2cc(Br)ccc12 ZINC001142402039 1047442015 /nfs/dbraw/zinc/44/20/15/1047442015.db2.gz NCSQQZQGOULMJP-UHFFFAOYSA-N 1 0 307.235 4.328 20 30 DIEDRO C[C@H]1CCC[N@H+](CCCCNc2nc3ccccc3cc2C#N)C1 ZINC000750015802 1047453557 /nfs/dbraw/zinc/45/35/57/1047453557.db2.gz FDTXNYMESFGDRO-INIZCTEOSA-N 1 0 322.456 4.030 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1O ZINC000841761855 1047454754 /nfs/dbraw/zinc/45/47/54/1047454754.db2.gz LWCYZJDDTLPMNV-KPZWWZAWSA-N 1 0 310.372 4.131 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccnc1Cl ZINC000841761836 1047455194 /nfs/dbraw/zinc/45/51/94/1047455194.db2.gz LPDQKCXCIJPLLA-YVEFUNNKSA-N 1 0 311.816 4.335 20 30 DIEDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000841763571 1047455786 /nfs/dbraw/zinc/45/57/86/1047455786.db2.gz ZYMNMASAVRYOPM-AUUYWEPGSA-N 1 0 306.409 4.301 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000088559229 1047464210 /nfs/dbraw/zinc/46/42/10/1047464210.db2.gz CZOIFRWZGWGDFX-HNNXBMFYSA-N 1 0 307.235 4.280 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000119882986 1047476201 /nfs/dbraw/zinc/47/62/01/1047476201.db2.gz WHHSTCQUUYJGJR-CYBMUJFWSA-N 1 0 303.352 4.380 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(NC(=O)NC(C)C)cc1)C1CC1 ZINC000120370187 1047487645 /nfs/dbraw/zinc/48/76/45/1047487645.db2.gz VKTBQPFLIWVOMT-GOSISDBHSA-N 1 0 315.461 4.051 20 30 DIEDRO C=CC[C@@H](NC1CCC(c2ccc(Cl)cc2)CC1)C(=O)OC ZINC001168335789 1047487907 /nfs/dbraw/zinc/48/79/07/1047487907.db2.gz PSSZSJSQPNWIOH-BDVYOWHSSA-N 1 0 321.848 4.074 20 30 DIEDRO N#CCC[N@H+](Cc1cccc(-c2ccccn2)c1)C1CCCC1 ZINC001142841635 1047501663 /nfs/dbraw/zinc/50/16/63/1047501663.db2.gz YRFMUDURECZWKC-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(c3cccc(F)c3)CCC2)cc1 ZINC000842744479 1047502171 /nfs/dbraw/zinc/50/21/71/1047502171.db2.gz WYAWCLVEUVOFMF-OAHLLOKOSA-N 1 0 324.399 4.286 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(c3cccc(F)c3)CCC2)cc1 ZINC000842744478 1047502243 /nfs/dbraw/zinc/50/22/43/1047502243.db2.gz WYAWCLVEUVOFMF-HNNXBMFYSA-N 1 0 324.399 4.286 20 30 DIEDRO Cc1ccc(C2([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CCC2)cc1 ZINC000842774207 1047502681 /nfs/dbraw/zinc/50/26/81/1047502681.db2.gz QNLIGGOUHOLHBJ-KRWDZBQOSA-N 1 0 320.436 4.455 20 30 DIEDRO COc1ccccc1C[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665525 1047507048 /nfs/dbraw/zinc/50/70/48/1047507048.db2.gz ACMRDPDMQQREIV-QFBILLFUSA-N 1 0 308.425 4.261 20 30 DIEDRO N#CCC[N@H+](Cc1ccnc2[nH]ccc21)C1CCCCCCC1 ZINC001142881285 1047507638 /nfs/dbraw/zinc/50/76/38/1047507638.db2.gz QDAXPUAZVDBKJP-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000090883726 1047510772 /nfs/dbraw/zinc/51/07/72/1047510772.db2.gz NWTKATOCDFXZNU-AWEZNQCLSA-N 1 0 302.443 4.053 20 30 DIEDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)c1O ZINC000842886661 1047511208 /nfs/dbraw/zinc/51/12/08/1047511208.db2.gz GIPVVWSATHWTHK-CYBMUJFWSA-N 1 0 314.816 4.271 20 30 DIEDRO C[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ccccc21 ZINC001142912172 1047513103 /nfs/dbraw/zinc/51/31/03/1047513103.db2.gz WXCPMVDBNWNBQV-AWEZNQCLSA-N 1 0 301.393 4.159 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccccc2F)CCC1)c1ccc(OCC#N)cc1 ZINC000842904696 1047513505 /nfs/dbraw/zinc/51/35/05/1047513505.db2.gz FQTUNTMQOHLATR-OAHLLOKOSA-N 1 0 324.399 4.458 20 30 DIEDRO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)C12CC3CC(CC(C3)C1)C2 ZINC001142920772 1047514569 /nfs/dbraw/zinc/51/45/69/1047514569.db2.gz AXCYMIHYIVBCMG-UHFFFAOYSA-N 1 0 319.452 4.440 20 30 DIEDRO Cc1cccc(CC[N@@H+](C)Cc2c[nH]c3cc(C#N)ccc23)c1 ZINC001142921536 1047515041 /nfs/dbraw/zinc/51/50/41/1047515041.db2.gz PUYCMOAZYQIRFI-UHFFFAOYSA-N 1 0 303.409 4.023 20 30 DIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000537633627 1047515329 /nfs/dbraw/zinc/51/53/29/1047515329.db2.gz NHOMSIYCEUPBBY-PXAZEXFGSA-N 1 0 300.402 4.342 20 30 DIEDRO C[N@H+](CCCc1ccccc1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142928824 1047516850 /nfs/dbraw/zinc/51/68/50/1047516850.db2.gz LYQJCCLSNQCMGX-UHFFFAOYSA-N 1 0 303.409 4.104 20 30 DIEDRO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)[C@@H]1CCc2ccccc21 ZINC001142930295 1047518088 /nfs/dbraw/zinc/51/80/88/1047518088.db2.gz IRQZUXJSECXROK-HXUWFJFHSA-N 1 0 301.393 4.159 20 30 DIEDRO Cc1ccc(C)c(OC2CC[NH+](CC(C)(C)CCC#N)CC2)c1 ZINC000092424063 1047534417 /nfs/dbraw/zinc/53/44/17/1047534417.db2.gz KKRZNINCDWJDSJ-UHFFFAOYSA-N 1 0 314.473 4.477 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000093445094 1047547868 /nfs/dbraw/zinc/54/78/68/1047547868.db2.gz GLOBNBQIMXCDDF-JXFKEZNVSA-N 1 0 321.424 4.018 20 30 DIEDRO CC(C)(CCC#N)C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000093741392 1047550325 /nfs/dbraw/zinc/55/03/25/1047550325.db2.gz NZYZANFKWMOHDD-IBGZPJMESA-N 1 0 314.473 4.078 20 30 DIEDRO CC(C)[C@H]1[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC12CC=CC2 ZINC000843432547 1047550893 /nfs/dbraw/zinc/55/08/93/1047550893.db2.gz YFPHAAMBIHNUMV-QFBILLFUSA-N 1 0 310.441 4.154 20 30 DIEDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000404590609 1047554126 /nfs/dbraw/zinc/55/41/26/1047554126.db2.gz QZAZLTABCHWIHG-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO CCCCCCCCCCC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001149672155 1047567369 /nfs/dbraw/zinc/56/73/69/1047567369.db2.gz RAZXEDWGAVPLHY-WOJBJXKFSA-N 1 0 322.537 4.317 20 30 DIEDRO CC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000926922474 1047608939 /nfs/dbraw/zinc/60/89/39/1047608939.db2.gz ZOIQKRPTMPXZQT-OAHLLOKOSA-N 1 0 311.454 4.134 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1ccc(-c2nc(CC)no2)cc1 ZINC000537977419 1047648970 /nfs/dbraw/zinc/64/89/70/1047648970.db2.gz HJFZYJIXJHOOPN-KRWDZBQOSA-N 1 0 313.445 4.176 20 30 DIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2c(Cl)cccc2C#N)C1 ZINC000538088308 1047657706 /nfs/dbraw/zinc/65/77/06/1047657706.db2.gz MTGZPPFQYVOCHC-IJEWVQPXSA-N 1 0 317.864 4.053 20 30 DIEDRO C[C@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)c1ccc(C#N)cc1 ZINC000538137843 1047659407 /nfs/dbraw/zinc/65/94/07/1047659407.db2.gz JEWPRAUDLOYMLF-INIZCTEOSA-N 1 0 319.452 4.368 20 30 DIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000538126584 1047660346 /nfs/dbraw/zinc/66/03/46/1047660346.db2.gz LKOUITVXKRWEQC-INIZCTEOSA-N 1 0 311.400 4.315 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000538207619 1047663415 /nfs/dbraw/zinc/66/34/15/1047663415.db2.gz HTOXHFYFIIACOF-HZPDHXFCSA-N 1 0 300.446 4.209 20 30 DIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)Oc1ccccc1F ZINC000538394319 1047674288 /nfs/dbraw/zinc/67/42/88/1047674288.db2.gz VTABUOQUCUFGEG-PBHICJAKSA-N 1 0 312.388 4.206 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000538394287 1047674294 /nfs/dbraw/zinc/67/42/94/1047674294.db2.gz VBPHPPHWKNDDCC-SFHVURJKSA-N 1 0 314.517 4.373 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1C(F)(F)F ZINC000538429320 1047676970 /nfs/dbraw/zinc/67/69/70/1047676970.db2.gz AACHAMWTQRVXJO-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2nccc3ccc(C#N)cc32)c1 ZINC001155340163 1047678132 /nfs/dbraw/zinc/67/81/32/1047678132.db2.gz ZHOOTEYWKKKVLN-ZDUSSCGKSA-N 1 0 312.376 4.070 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000538467211 1047680472 /nfs/dbraw/zinc/68/04/72/1047680472.db2.gz AVTPXPHXKCUZQN-HNNXBMFYSA-N 1 0 320.864 4.371 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000538506704 1047683903 /nfs/dbraw/zinc/68/39/03/1047683903.db2.gz RNDFOBFUFIDPMB-JWHHTLNTSA-N 1 0 324.399 4.301 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000538720766 1047701239 /nfs/dbraw/zinc/70/12/39/1047701239.db2.gz UYBSIBIZGCKIFE-SWLSCSKDSA-N 1 0 300.402 4.137 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000538728225 1047702640 /nfs/dbraw/zinc/70/26/40/1047702640.db2.gz GHVFFOPLEYKSGH-PMACEKPBSA-N 1 0 315.420 4.440 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000538965791 1047721783 /nfs/dbraw/zinc/72/17/83/1047721783.db2.gz OBZJWQITISXCGG-UHFFFAOYSA-N 1 0 318.490 4.069 20 30 DIEDRO Cc1nc(C(C)C)cc(N2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001156761303 1047721893 /nfs/dbraw/zinc/72/18/93/1047721893.db2.gz YMYZTFHPJJWZEH-UHFFFAOYSA-N 1 0 320.440 4.164 20 30 DIEDRO N#Cc1ccc(C2CCN(c3nccc4ccccc43)CC2)cc1 ZINC001156759957 1047721997 /nfs/dbraw/zinc/72/19/97/1047721997.db2.gz CZHPJHQFQLTEBU-UHFFFAOYSA-N 1 0 313.404 4.490 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(NCc2ccccc2C#N)nc1 ZINC001156791495 1047723836 /nfs/dbraw/zinc/72/38/36/1047723836.db2.gz UDIQMXRGWMNDRH-LJQANCHMSA-N 1 0 320.440 4.112 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000539091226 1047736117 /nfs/dbraw/zinc/73/61/17/1047736117.db2.gz UGVUDQDMKMKTTM-HZPDHXFCSA-N 1 0 309.457 4.051 20 30 DIEDRO C=CCN(c1ccc([C@@H]2CCCC[N@H+]2CC)cn1)C(C)(C)C ZINC001157585698 1047746987 /nfs/dbraw/zinc/74/69/87/1047746987.db2.gz PSPJJZMPLBKBNK-KRWDZBQOSA-N 1 0 301.478 4.419 20 30 DIEDRO C=CCCCCCCCCC(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160688 1047770741 /nfs/dbraw/zinc/77/07/41/1047770741.db2.gz LKHDXGDPXIJYBY-LJQANCHMSA-N 1 0 306.494 4.038 20 30 DIEDRO C=CCCCCCCCCC(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169695 1047771070 /nfs/dbraw/zinc/77/10/70/1047771070.db2.gz RDVLLOMKYWIZKX-UHFFFAOYSA-N 1 0 306.494 4.038 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001158530204 1047788368 /nfs/dbraw/zinc/78/83/68/1047788368.db2.gz XUZDYZPWTBANMC-AZUAARDMSA-N 1 0 322.537 4.317 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001158530207 1047788500 /nfs/dbraw/zinc/78/85/00/1047788500.db2.gz XUZDYZPWTBANMC-QUCCMNQESA-N 1 0 322.537 4.317 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC001158609995 1047791979 /nfs/dbraw/zinc/79/19/79/1047791979.db2.gz LOKSIXAQIBCLFX-QGZVFWFLSA-N 1 0 312.457 4.313 20 30 DIEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000552922690 1047807014 /nfs/dbraw/zinc/80/70/14/1047807014.db2.gz OMVRFAVOLNEDJY-XMDBHEJHSA-N 1 0 302.421 4.459 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2ccccc2C1 ZINC000552968984 1047809623 /nfs/dbraw/zinc/80/96/23/1047809623.db2.gz FKPAZTLICNGDIZ-PZJWPPBQSA-N 1 0 302.421 4.083 20 30 DIEDRO N#Cc1c(Nc2c(Cl)cccc2Cl)sc2c1CC[NH2+]C2 ZINC001159157152 1047817358 /nfs/dbraw/zinc/81/73/58/1047817358.db2.gz BITLHXJCWRTCJC-UHFFFAOYSA-N 1 0 324.236 4.316 20 30 DIEDRO CC(F)(F)c1ccc(Nc2sc3c(c2C#N)CC[NH2+]C3)cc1 ZINC001159159892 1047817486 /nfs/dbraw/zinc/81/74/86/1047817486.db2.gz SRRBTRQXKGFABB-UHFFFAOYSA-N 1 0 319.380 4.121 20 30 DIEDRO N#Cc1c(Nc2ccc(C(F)(F)F)cc2)sc2c1CC[NH2+]C2 ZINC001159159160 1047817572 /nfs/dbraw/zinc/81/75/72/1047817572.db2.gz ADDHSHKFVFJAIY-UHFFFAOYSA-N 1 0 323.343 4.028 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(NCC(C)(C)S)nc1 ZINC001159269528 1047825922 /nfs/dbraw/zinc/82/59/22/1047825922.db2.gz KDAIPAZJBYIMGX-HNNXBMFYSA-N 1 0 307.507 4.139 20 30 DIEDRO N#Cc1c(-c2ccc(Cl)cc2)csc1N=C1CC[NH2+]CC1 ZINC001159304760 1047827549 /nfs/dbraw/zinc/82/75/49/1047827549.db2.gz BLHWLEGAZMJTEF-UHFFFAOYSA-N 1 0 315.829 4.229 20 30 DIEDRO C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(C#N)c2F)C1 ZINC001159384703 1047838058 /nfs/dbraw/zinc/83/80/58/1047838058.db2.gz AKTHUOHEBDUJSL-QEJZJMRPSA-N 1 0 324.403 4.067 20 30 DIEDRO C[C@H]1C[C@@H](c2ccncc2Nc2cc(F)cc(C#N)c2)C[C@@H]([NH3+])C1 ZINC001159383869 1047838178 /nfs/dbraw/zinc/83/81/78/1047838178.db2.gz LJHKEOOQXYXFMG-BJJXKVORSA-N 1 0 324.403 4.067 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(C#N)c2F)C1 ZINC001159384700 1047838288 /nfs/dbraw/zinc/83/82/88/1047838288.db2.gz AKTHUOHEBDUJSL-AEGPPILISA-N 1 0 324.403 4.067 20 30 DIEDRO Cc1cc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@H]([NH3+])C2)ccc1C#N ZINC001159390812 1047838563 /nfs/dbraw/zinc/83/85/63/1047838563.db2.gz ODZQIXISGUAIQR-XYPHTWIQSA-N 1 0 320.440 4.236 20 30 DIEDRO C[C@H]1C[C@@H](c2ccncc2Nc2ccc(C#N)c(F)c2)C[C@@H]([NH3+])C1 ZINC001159390520 1047838662 /nfs/dbraw/zinc/83/86/62/1047838662.db2.gz NHNINAVEKQZLLI-CFVMTHIKSA-N 1 0 324.403 4.067 20 30 DIEDRO Cc1ccc(Nc2cnccc2[C@@H]2C[C@H](C)C[C@H]([NH3+])C2)cc1C#N ZINC001159387711 1047838874 /nfs/dbraw/zinc/83/88/74/1047838874.db2.gz UMVHKBPCDNADLZ-LXZKKBNFSA-N 1 0 320.440 4.236 20 30 DIEDRO C[C@H]1C[C@@H](c2ccncc2Nc2ccc(C#N)cc2F)C[C@@H]([NH3+])C1 ZINC001159388377 1047838921 /nfs/dbraw/zinc/83/89/21/1047838921.db2.gz IDRIBFUHIMOSAE-CFVMTHIKSA-N 1 0 324.403 4.067 20 30 DIEDRO C#Cc1ccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001159390869 1047839302 /nfs/dbraw/zinc/83/93/02/1047839302.db2.gz OYCSPLSGFRMXDW-DJIMGWMZSA-N 1 0 305.425 4.037 20 30 DIEDRO Cc1cc(Cl)nc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1C#N ZINC001159395282 1047839500 /nfs/dbraw/zinc/83/95/00/1047839500.db2.gz FNSMJSDWTMFQTK-HNNXBMFYSA-N 1 0 312.804 4.083 20 30 DIEDRO C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2ccc(F)c(C#N)c2)C1 ZINC001159391678 1047839996 /nfs/dbraw/zinc/83/99/96/1047839996.db2.gz SRDJMXNPMFJMAO-GZBFAFLISA-N 1 0 324.403 4.067 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2nc1OC ZINC001182845042 1047846848 /nfs/dbraw/zinc/84/68/48/1047846848.db2.gz REZGJRZOYDSEOJ-CRAIPNDOSA-N 1 0 310.441 4.468 20 30 DIEDRO Cc1c[nH+]ccc1Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC001174538555 1047864563 /nfs/dbraw/zinc/86/45/63/1047864563.db2.gz KBBKGHWDVDDKLP-UHFFFAOYSA-N 1 0 301.349 4.220 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001197680908 1047867690 /nfs/dbraw/zinc/86/76/90/1047867690.db2.gz CXZDOXZAODVBJK-VQTJNVASSA-N 1 0 301.474 4.247 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)s1 ZINC000553518229 1047869224 /nfs/dbraw/zinc/86/92/24/1047869224.db2.gz VLZGKCHQOSWBIY-UHFFFAOYSA-N 1 0 302.365 4.078 20 30 DIEDRO CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)CC(=O)OC(C)(C)C ZINC001182989754 1047872494 /nfs/dbraw/zinc/87/24/94/1047872494.db2.gz KJPNBBWZBYMGGK-YESZJQIVSA-N 1 0 322.493 4.052 20 30 DIEDRO CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)CC(=O)OC(C)(C)C ZINC001182989752 1047873041 /nfs/dbraw/zinc/87/30/41/1047873041.db2.gz KJPNBBWZBYMGGK-IXDOHACOSA-N 1 0 322.493 4.052 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001182998961 1047875061 /nfs/dbraw/zinc/87/50/61/1047875061.db2.gz FMRRYMFCJQYAFJ-IUODEOHRSA-N 1 0 302.245 4.361 20 30 DIEDRO N#Cc1cc(Cl)cc(Nc2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001159598189 1047878071 /nfs/dbraw/zinc/87/80/71/1047878071.db2.gz JNZMVNQVANSVHU-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cc(Br)c(OC)s1 ZINC001183044376 1047879985 /nfs/dbraw/zinc/87/99/85/1047879985.db2.gz CERGPODHESQFMC-UHFFFAOYSA-N 1 0 318.280 4.211 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)cc1F ZINC001183053535 1047885468 /nfs/dbraw/zinc/88/54/68/1047885468.db2.gz NIVOBTHIDHVBPO-CQSZACIVSA-N 1 0 307.409 4.227 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)cc1F ZINC001183124157 1047890731 /nfs/dbraw/zinc/89/07/31/1047890731.db2.gz QZUDKIKDUGKWMX-JCNLHEQBSA-N 1 0 312.413 4.110 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC001183066184 1047890920 /nfs/dbraw/zinc/89/09/20/1047890920.db2.gz VLAZDETYPDURSV-ZDUSSCGKSA-N 1 0 302.418 4.347 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1F ZINC001183155343 1047894218 /nfs/dbraw/zinc/89/42/18/1047894218.db2.gz FDSJBZQQKVMIBS-QGZVFWFLSA-N 1 0 300.764 4.128 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001183144622 1047894370 /nfs/dbraw/zinc/89/43/70/1047894370.db2.gz ATJYBHDWGANNHJ-JYJNAYRXSA-N 1 0 310.482 4.157 20 30 DIEDRO C#CC[N@@H+](CCCCCCCNC(=O)OC(C)(C)C)C(C)(C)C ZINC001197929668 1047902004 /nfs/dbraw/zinc/90/20/04/1047902004.db2.gz KGTMPVNESZCDDE-UHFFFAOYSA-N 1 0 324.509 4.195 20 30 DIEDRO CC(C)Sc1ccccc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159712725 1047907221 /nfs/dbraw/zinc/90/72/21/1047907221.db2.gz MTTZHOXEYUVUQE-UHFFFAOYSA-N 1 0 323.465 4.489 20 30 DIEDRO C=CC[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C(C)(C)C ZINC001174634267 1047917837 /nfs/dbraw/zinc/91/78/37/1047917837.db2.gz YBRNKADHJZECMD-UHFFFAOYSA-N 1 0 312.244 4.428 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CCC1 ZINC001198033694 1047922380 /nfs/dbraw/zinc/92/23/80/1047922380.db2.gz LRIMXHYBWIRQCN-UHFFFAOYSA-N 1 0 303.274 4.019 20 30 DIEDRO C#CCC1([NH2+]Cc2cc(F)cc(Br)c2)CCCCC1 ZINC001198086065 1047923811 /nfs/dbraw/zinc/92/38/11/1047923811.db2.gz XLEPTLBECRQTLL-UHFFFAOYSA-N 1 0 324.237 4.404 20 30 DIEDRO Cc1cc(Cl)cc(C)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159790151 1047925252 /nfs/dbraw/zinc/92/52/52/1047925252.db2.gz RHKBGSYHWXWTPQ-UHFFFAOYSA-N 1 0 311.816 4.259 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001183379684 1047926728 /nfs/dbraw/zinc/92/67/28/1047926728.db2.gz RJXAIUBWXXCUPL-NVXWUHKLSA-N 1 0 324.509 4.356 20 30 DIEDRO C#CC[N@@H+](Cc1cccc(N(C)C)c1)[C@@H]1CCCc2ccccc21 ZINC001198103886 1047927535 /nfs/dbraw/zinc/92/75/35/1047927535.db2.gz KVBHOCMWPYKWBR-JOCHJYFZSA-N 1 0 318.464 4.265 20 30 DIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1ccc(C(F)F)c(F)c1 ZINC001183428941 1047928154 /nfs/dbraw/zinc/92/81/54/1047928154.db2.gz NIOAYNABJAIVRC-UHFFFAOYSA-N 1 0 318.342 4.309 20 30 DIEDRO C#CC[N@@H+](CCCc1scnc1C)[C@@H]1CCCc2ccccc21 ZINC001198103161 1047928575 /nfs/dbraw/zinc/92/85/75/1047928575.db2.gz DNBKVQVOKCYFQF-LJQANCHMSA-N 1 0 324.493 4.397 20 30 DIEDRO Cc1c(F)ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1Cl ZINC001159827795 1047933551 /nfs/dbraw/zinc/93/35/51/1047933551.db2.gz WFHOSDOZTAHIMG-UHFFFAOYSA-N 1 0 315.779 4.090 20 30 DIEDRO CC(C)COc1cccc(C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC001198195138 1047935809 /nfs/dbraw/zinc/93/58/09/1047935809.db2.gz QKBZFYAPUFTWLL-UHFFFAOYSA-N 1 0 314.454 4.287 20 30 DIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000775835001 1047941040 /nfs/dbraw/zinc/94/10/40/1047941040.db2.gz XVOPLRHPMIHKHL-OAHLLOKOSA-N 1 0 312.844 4.108 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(N(C)C)cc1 ZINC000775834755 1047941147 /nfs/dbraw/zinc/94/11/47/1047941147.db2.gz PSWYMUWAMHSUDN-MRXNPFEDSA-N 1 0 321.468 4.405 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@H](C)c1ccc(CC(C)C)cc1 ZINC001183510028 1047941156 /nfs/dbraw/zinc/94/11/56/1047941156.db2.gz BTVBHDJQCHRPIQ-SQGPQFPESA-N 1 0 303.490 4.294 20 30 DIEDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001198289700 1047941538 /nfs/dbraw/zinc/94/15/38/1047941538.db2.gz RSXGTSIRBFOTMT-IBGZPJMESA-N 1 0 307.412 4.445 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCCC(C)(C)C=C ZINC001203571882 1047944283 /nfs/dbraw/zinc/94/42/83/1047944283.db2.gz LGJZVBCHFDHYPX-UHFFFAOYSA-N 1 0 305.849 4.434 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001198414496 1047953025 /nfs/dbraw/zinc/95/30/25/1047953025.db2.gz ULAAGVMGUIWOGZ-BBRMVZONSA-N 1 0 314.256 4.457 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001198414498 1047953102 /nfs/dbraw/zinc/95/31/02/1047953102.db2.gz ULAAGVMGUIWOGZ-CZUORRHYSA-N 1 0 314.256 4.457 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001198414499 1047953123 /nfs/dbraw/zinc/95/31/23/1047953123.db2.gz ULAAGVMGUIWOGZ-XJKSGUPXSA-N 1 0 314.256 4.457 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC001183778718 1047963266 /nfs/dbraw/zinc/96/32/66/1047963266.db2.gz AXIDKIBFJYZDNB-OALUTQOASA-N 1 0 323.521 4.467 20 30 DIEDRO C=CC[C@@H]1CCN1Cc1cc(Br)ccc1Cl ZINC001198491114 1047963884 /nfs/dbraw/zinc/96/38/84/1047963884.db2.gz OLJKYRUDQMVWFH-GFCCVEGCSA-N 1 0 300.627 4.253 20 30 DIEDRO CSc1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1C#N ZINC001183800244 1047967736 /nfs/dbraw/zinc/96/77/36/1047967736.db2.gz OSIRAOUNMHSOGA-MSOLQXFVSA-N 1 0 308.450 4.173 20 30 DIEDRO C#C[C@H]1CCCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC001198527243 1047968672 /nfs/dbraw/zinc/96/86/72/1047968672.db2.gz ZZLVHVRXHKRMNI-FQEVSTJZSA-N 1 0 305.421 4.253 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1cc(F)cc(F)c1 ZINC001183802954 1047968905 /nfs/dbraw/zinc/96/89/05/1047968905.db2.gz YNAHEZAYKIOZLK-STQMWFEESA-N 1 0 300.352 4.291 20 30 DIEDRO C#C[C@@H]1CCCC[N@H+]1CC/C=C/c1ccc(Br)cc1 ZINC001198525486 1047969664 /nfs/dbraw/zinc/96/96/64/1047969664.db2.gz MQEGKAVXARDOHP-OPQSBORISA-N 1 0 318.258 4.340 20 30 DIEDRO CC(C)(C)[N@H+](CCCC#N)Cc1ccc(Br)cc1 ZINC001174788660 1047971508 /nfs/dbraw/zinc/97/15/08/1047971508.db2.gz BJKVLTODAQZBFZ-UHFFFAOYSA-N 1 0 309.251 4.353 20 30 DIEDRO CCCCC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC001174781278 1047973098 /nfs/dbraw/zinc/97/30/98/1047973098.db2.gz WDLIMCBYNHMMCR-OALUTQOASA-N 1 0 300.446 4.026 20 30 DIEDRO C=C(C)c1ccccc1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174815444 1047980646 /nfs/dbraw/zinc/98/06/46/1047980646.db2.gz OVGHGYNYYIJYKV-UHFFFAOYSA-N 1 0 307.441 4.215 20 30 DIEDRO CN(C)c1ccc(C2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC000775883021 1047988335 /nfs/dbraw/zinc/98/83/35/1047988335.db2.gz PMNNYFVSVJDJMP-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO N#Cc1c(F)ccc(F)c1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001160222146 1048003192 /nfs/dbraw/zinc/00/31/92/1048003192.db2.gz BQMLTHYDWVINMO-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO CC(C)c1ccc2c(c1)CC[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001198844295 1048010530 /nfs/dbraw/zinc/01/05/30/1048010530.db2.gz JZZIVANGRPOJCD-UHFFFAOYSA-N 1 0 320.436 4.271 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1O ZINC000775913326 1048011079 /nfs/dbraw/zinc/01/10/79/1048011079.db2.gz KKCMYPHGIODFKD-LBPRGKRZSA-N 1 0 300.789 4.077 20 30 DIEDRO Cc1cc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)ccc1C#N ZINC001160265679 1048015303 /nfs/dbraw/zinc/01/53/03/1048015303.db2.gz QQWYXEUUZHKEMT-KRWDZBQOSA-N 1 0 305.425 4.152 20 30 DIEDRO CCCCCCCC[NH2+]Cc1c(F)cncc1Br ZINC001199021421 1048024450 /nfs/dbraw/zinc/02/44/50/1048024450.db2.gz ICUPUOJPVGOIOY-UHFFFAOYSA-N 1 0 317.246 4.433 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001199060009 1048032745 /nfs/dbraw/zinc/03/27/45/1048032745.db2.gz NBYDOFPQCFJCRC-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@H](C#N)CC(C)C)nc1 ZINC001160364321 1048040561 /nfs/dbraw/zinc/04/05/61/1048040561.db2.gz AERTZQVMIOXJOQ-ZWKOTPCHSA-N 1 0 314.477 4.369 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2nc(C)cs2)cc1Cl ZINC001199199257 1048043175 /nfs/dbraw/zinc/04/31/75/1048043175.db2.gz YGWRLWWSZKHXSX-UHFFFAOYSA-N 1 0 322.861 4.002 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1cccc(Cl)c1C)C(C)C ZINC001199197722 1048043432 /nfs/dbraw/zinc/04/34/32/1048043432.db2.gz IRHFZBRNQHEPKD-LJQANCHMSA-N 1 0 320.908 4.437 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000554302603 1048061441 /nfs/dbraw/zinc/06/14/41/1048061441.db2.gz QVWOBQOZVBSTNZ-UHFFFAOYSA-N 1 0 321.417 4.225 20 30 DIEDRO CC(C)c1ccc(CCNc2[nH]ccc3ncc(C#N)c2-3)cc1 ZINC001160813012 1048087347 /nfs/dbraw/zinc/08/73/47/1048087347.db2.gz HKJJKOGXTGEPBQ-UHFFFAOYSA-N 1 0 304.397 4.213 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC001199707955 1048091391 /nfs/dbraw/zinc/09/13/91/1048091391.db2.gz CUHDOZCZRHVFEE-UHFFFAOYSA-N 1 0 322.452 4.010 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCCC3(CC3)CC2)cc1 ZINC001175044291 1048107533 /nfs/dbraw/zinc/10/75/33/1048107533.db2.gz FDVZHVZLQNCVQA-UHFFFAOYSA-N 1 0 307.359 4.323 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)C(C)C ZINC000480271254 1048108013 /nfs/dbraw/zinc/10/80/13/1048108013.db2.gz YSBYDAPHYBLRPX-MAUKXSAKSA-N 1 0 321.896 4.084 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001199907825 1048114609 /nfs/dbraw/zinc/11/46/09/1048114609.db2.gz ZMUSVEHFFHZTCM-IHPCNDPISA-N 1 0 313.485 4.497 20 30 DIEDRO C=CCN(C(=O)[C@@H]([NH3+])c1ccc2ccccc2c1)C1CCCCC1 ZINC001161248467 1048116867 /nfs/dbraw/zinc/11/68/67/1048116867.db2.gz ZWROTVGYJQLOSF-FQEVSTJZSA-N 1 0 322.452 4.187 20 30 DIEDRO C=CCN(C(=O)c1cccc([C@@H]2CCC[NH2+]2)c1)C1CCCCC1 ZINC001161248342 1048117210 /nfs/dbraw/zinc/11/72/10/1048117210.db2.gz UKVNDUJKDNCZPW-IBGZPJMESA-N 1 0 312.457 4.072 20 30 DIEDRO Cc1cc(F)c(C#N)c(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC001185037970 1048121698 /nfs/dbraw/zinc/12/16/98/1048121698.db2.gz YTQPKZKMPZJWSA-NVXWUHKLSA-N 1 0 323.415 4.253 20 30 DIEDRO C#CCC[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000776034765 1048123481 /nfs/dbraw/zinc/12/34/81/1048123481.db2.gz XFZPCOBLZFSGLY-CQSZACIVSA-N 1 0 301.739 4.423 20 30 DIEDRO Cc1ccccc1CC(C)(C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000105492143 1048139879 /nfs/dbraw/zinc/13/98/79/1048139879.db2.gz GURCRZZSAXQUJR-KRWDZBQOSA-N 1 0 322.452 4.397 20 30 DIEDRO C=CC[N@H+](Cc1ccc2c(c1)CCC2)Cc1cccc(C#N)c1 ZINC000554650650 1048146743 /nfs/dbraw/zinc/14/67/43/1048146743.db2.gz KIFLVHFTJRTBCF-UHFFFAOYSA-N 1 0 302.421 4.235 20 30 DIEDRO CC(C)[Si](C#C[NH2+]CCCn1ccnc1)(C(C)C)C(C)C ZINC001161681940 1048153765 /nfs/dbraw/zinc/15/37/65/1048153765.db2.gz FTCQJRDHEHKKKU-UHFFFAOYSA-N 1 0 305.542 4.042 20 30 DIEDRO CC[NH+](CC)Cc1cccc(N[C@@H](C#N)c2ccccc2)c1F ZINC001161726174 1048161442 /nfs/dbraw/zinc/16/14/42/1048161442.db2.gz WFADBGDVHXQHJB-SFHVURJKSA-N 1 0 311.404 4.344 20 30 DIEDRO C=C(C)C[C@H](C)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000554784158 1048185128 /nfs/dbraw/zinc/18/51/28/1048185128.db2.gz FDBJEDOIJXCUJZ-HNNXBMFYSA-N 1 0 311.429 4.402 20 30 DIEDRO CN(C)/C=[NH+]/c1ccc(N[C@H](c2ccccc2)C2CC2)cc1C#N ZINC001161961704 1048200899 /nfs/dbraw/zinc/20/08/99/1048200899.db2.gz KVIUBGFLZLNGOY-YRXLECQKSA-N 1 0 318.424 4.343 20 30 DIEDRO CC1=C(c2ccco2)C[N@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000554836910 1048205094 /nfs/dbraw/zinc/20/50/94/1048205094.db2.gz ANMVLBMNIRZADH-UHFFFAOYSA-N 1 0 322.408 4.100 20 30 DIEDRO [NH3+]CCN(c1ccc(CS)cc1)c1cccc2ccccc21 ZINC001162006632 1048213564 /nfs/dbraw/zinc/21/35/64/1048213564.db2.gz FJJZDBUVPRBPPY-UHFFFAOYSA-N 1 0 308.450 4.366 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1C[C@H](OCC)C1(CC)CC)c1ccncc1 ZINC000776154633 1048236168 /nfs/dbraw/zinc/23/61/68/1048236168.db2.gz BMHHOKUFOUQPBK-BZSNNMDCSA-N 1 0 302.462 4.272 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776155398 1048237542 /nfs/dbraw/zinc/23/75/42/1048237542.db2.gz GJTLRRIRZWXFCX-YESZJQIVSA-N 1 0 300.446 4.456 20 30 DIEDRO CCCCCCCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000105943753 1048237796 /nfs/dbraw/zinc/23/77/96/1048237796.db2.gz GKZPZJXHYZZEKJ-HNNXBMFYSA-N 1 0 311.491 4.101 20 30 DIEDRO Cc1cc(Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(C#N)cn1 ZINC001162177680 1048238602 /nfs/dbraw/zinc/23/86/02/1048238602.db2.gz VBZGKOSFGTZRFL-MRXNPFEDSA-N 1 0 320.440 4.380 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC001201372722 1048242029 /nfs/dbraw/zinc/24/20/29/1048242029.db2.gz LYRBEMKOYQQFIE-UHFFFAOYSA-N 1 0 323.864 4.344 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@H](OCC)C12CCCC2)c1ccncc1 ZINC000776159583 1048246770 /nfs/dbraw/zinc/24/67/70/1048246770.db2.gz XWWXDSXKHCVAOP-KSZLIROESA-N 1 0 300.446 4.026 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(C#N)cc2C(F)(F)F)c1 ZINC001201396851 1048247610 /nfs/dbraw/zinc/24/76/10/1048247610.db2.gz CTLYEEGZEMWMIM-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776163499 1048251342 /nfs/dbraw/zinc/25/13/42/1048251342.db2.gz CAFYEZFHABJKRZ-SIFCLUCFSA-N 1 0 306.409 4.173 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC001201408194 1048252843 /nfs/dbraw/zinc/25/28/43/1048252843.db2.gz SKIFIEPIXKBYEZ-QMMMGPOBSA-N 1 0 308.141 4.132 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000776167346 1048265930 /nfs/dbraw/zinc/26/59/30/1048265930.db2.gz CQZLZKZKTLBMAV-HZPDHXFCSA-N 1 0 320.452 4.058 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)C1CCCC1)c1ccc(OCC#N)cc1 ZINC000776172095 1048267528 /nfs/dbraw/zinc/26/75/28/1048267528.db2.gz SGHOXBZUXNFMEE-HNNXBMFYSA-N 1 0 300.446 4.456 20 30 DIEDRO CC[C@@H]1CN(Cc2nc(C#N)cs2)CC[C@H]1c1ccccc1 ZINC000555095414 1048271291 /nfs/dbraw/zinc/27/12/91/1048271291.db2.gz YBEMTLDBWIKVBB-RHSMWYFYSA-N 1 0 311.454 4.030 20 30 DIEDRO COc1cccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c1C#N ZINC001175363767 1048278959 /nfs/dbraw/zinc/27/89/59/1048278959.db2.gz LTAAYSMOLMXJKA-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO N#Cc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001175367137 1048279796 /nfs/dbraw/zinc/27/97/96/1048279796.db2.gz WQKXAZJVZKTGPX-UHFFFAOYSA-N 1 0 316.408 4.159 20 30 DIEDRO COc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC001175366525 1048280309 /nfs/dbraw/zinc/28/03/09/1048280309.db2.gz LOHLULKIDDFQKX-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO N#Cc1cc(Nc2ccc(C[NH+]3CCCCC3)cc2)ccc1F ZINC001175365767 1048280546 /nfs/dbraw/zinc/28/05/46/1048280546.db2.gz AZLMJTVRAKFNBK-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO COc1cccc(C#N)c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175368245 1048281251 /nfs/dbraw/zinc/28/12/51/1048281251.db2.gz YENUOSBXQIENLQ-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO N#Cc1cccc(F)c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175367484 1048281389 /nfs/dbraw/zinc/28/13/89/1048281389.db2.gz QSAGWSOZSAXYQG-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2nc3cc(C)ccc3s2)CC1 ZINC001162437264 1048281838 /nfs/dbraw/zinc/28/18/38/1048281838.db2.gz IXOASMSSMXMOPZ-UHFFFAOYSA-N 1 0 301.459 4.057 20 30 DIEDRO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001201474930 1048293320 /nfs/dbraw/zinc/29/33/20/1048293320.db2.gz NXZCGCFLVXQASV-RTWAWAEBSA-N 1 0 315.420 4.291 20 30 DIEDRO C#Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201475718 1048296769 /nfs/dbraw/zinc/29/67/69/1048296769.db2.gz YKXSUABWLIGTIE-YADHBBJMSA-N 1 0 314.432 4.401 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH2+]C[C@H]3CCC=CO3)c2)s1 ZINC000775028189 1048314355 /nfs/dbraw/zinc/31/43/55/1048314355.db2.gz NFIWSAQBADQCQH-MRXNPFEDSA-N 1 0 310.422 4.069 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]CCCc2c(F)cccc2Cl)c1 ZINC000775029028 1048314590 /nfs/dbraw/zinc/31/45/90/1048314590.db2.gz JCDJSSSBWCQOCV-UHFFFAOYSA-N 1 0 320.770 4.212 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@@H](CC)CCCC)C2 ZINC001201565854 1048319378 /nfs/dbraw/zinc/31/93/78/1048319378.db2.gz LAORQPMPYWYNFT-GBESFXJTSA-N 1 0 309.494 4.029 20 30 DIEDRO N#Cc1ccc(N2CC[NH+](CCCC3CCCCC3)CC2)cc1 ZINC001175454722 1048331959 /nfs/dbraw/zinc/33/19/59/1048331959.db2.gz WOUXZLNOHNFEQP-UHFFFAOYSA-N 1 0 311.473 4.041 20 30 DIEDRO C=CCOCC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000555380501 1048335479 /nfs/dbraw/zinc/33/54/79/1048335479.db2.gz UDYWBMROFAELSI-UHFFFAOYSA-N 1 0 313.363 4.087 20 30 DIEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000481265380 1048347895 /nfs/dbraw/zinc/34/78/95/1048347895.db2.gz AWYJAEBMZVHMNL-BXUZGUMPSA-N 1 0 307.235 4.084 20 30 DIEDRO Cc1ccc(SCC[N@@H+](C)CCc2cccc(C#N)c2)cc1C ZINC001175533582 1048358873 /nfs/dbraw/zinc/35/88/73/1048358873.db2.gz ZWWWSTQMTMKXFV-UHFFFAOYSA-N 1 0 324.493 4.442 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001162809692 1048363617 /nfs/dbraw/zinc/36/36/17/1048363617.db2.gz HNSKCLCSDXIJSA-OAQYLSRUSA-N 1 0 319.452 4.208 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1OC ZINC000775080246 1048369301 /nfs/dbraw/zinc/36/93/01/1048369301.db2.gz KCQPUCRIGKSDPS-LJQANCHMSA-N 1 0 324.424 4.077 20 30 DIEDRO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1OC ZINC001175568577 1048373372 /nfs/dbraw/zinc/37/33/72/1048373372.db2.gz ATTGTWOBXDTWNJ-SFHVURJKSA-N 1 0 313.828 4.441 20 30 DIEDRO Cc1ccc([C@H](C)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000600157871 1048375145 /nfs/dbraw/zinc/37/51/45/1048375145.db2.gz AQAMFLJSBMUZOV-GOSISDBHSA-N 1 0 319.452 4.051 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001201814401 1048377092 /nfs/dbraw/zinc/37/70/92/1048377092.db2.gz OUIXWGQHFQCKKU-UXHICEINSA-N 1 0 315.505 4.091 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201776492 1048377733 /nfs/dbraw/zinc/37/77/33/1048377733.db2.gz DQGYZDKZFUNNRK-IAGOWNOFSA-N 1 0 321.534 4.010 20 30 DIEDRO CCCCCCC[NH+]1CCC2(CC1)OC(=O)c1ccccc12 ZINC001201788062 1048381157 /nfs/dbraw/zinc/38/11/57/1048381157.db2.gz VLEPCDRNWLHICZ-UHFFFAOYSA-N 1 0 301.430 4.119 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001201826164 1048383461 /nfs/dbraw/zinc/38/34/61/1048383461.db2.gz OTFGQCWIFCTLBE-UHFFFAOYSA-N 1 0 321.509 4.374 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+](CCCCCCCCC)CC2 ZINC001201839285 1048385174 /nfs/dbraw/zinc/38/51/74/1048385174.db2.gz KIUXKRCOVYTPAC-UHFFFAOYSA-N 1 0 320.521 4.380 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cccc3[nH]c(C#N)cc32)c1 ZINC001162907926 1048385256 /nfs/dbraw/zinc/38/52/56/1048385256.db2.gz HZLXTVFRFSULSL-LBPRGKRZSA-N 1 0 300.365 4.003 20 30 DIEDRO C=CC[C@@H](Nc1ccc(C[N@@H+](C)C2CC2)cn1)c1ccccc1 ZINC001162908765 1048385497 /nfs/dbraw/zinc/38/54/97/1048385497.db2.gz FDVRYQDXYDENNY-LJQANCHMSA-N 1 0 307.441 4.405 20 30 DIEDRO CCCCCCCC[NH+]1CCC(NC(=O)CC(C)(C)C)CC1 ZINC001201840170 1048387079 /nfs/dbraw/zinc/38/70/79/1048387079.db2.gz NUGGYTJLBBGJBQ-UHFFFAOYSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001201839392 1048387106 /nfs/dbraw/zinc/38/71/06/1048387106.db2.gz MQPDWXRIDFUWBL-LSDHHAIUSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001201846743 1048387474 /nfs/dbraw/zinc/38/74/74/1048387474.db2.gz KTAMUYFUFKPOAR-LJQANCHMSA-N 1 0 308.510 4.214 20 30 DIEDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1O ZINC000776219557 1048389710 /nfs/dbraw/zinc/38/97/10/1048389710.db2.gz PACOMPDZJQYHGT-GFCCVEGCSA-N 1 0 300.789 4.077 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000600213964 1048390433 /nfs/dbraw/zinc/39/04/33/1048390433.db2.gz JIZWJEIIWOMUKX-GOSISDBHSA-N 1 0 320.436 4.183 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001201875392 1048393683 /nfs/dbraw/zinc/39/36/83/1048393683.db2.gz XVIRJCZBZPHEMH-UHFFFAOYSA-N 1 0 310.526 4.364 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCc2cccnc21 ZINC000481430505 1048401005 /nfs/dbraw/zinc/40/10/05/1048401005.db2.gz AAZNOSYHCFJTJI-IBGZPJMESA-N 1 0 323.415 4.382 20 30 DIEDRO N#Cc1cc(F)cc(Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC001175685472 1048416986 /nfs/dbraw/zinc/41/69/86/1048416986.db2.gz UTVQWRBBZDNFAS-UHFFFAOYSA-N 1 0 309.388 4.079 20 30 DIEDRO C=C(C)[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000481573917 1048432025 /nfs/dbraw/zinc/43/20/25/1048432025.db2.gz UUILOSFRWBWAMB-CRAIPNDOSA-N 1 0 308.416 4.046 20 30 DIEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001163298654 1048448637 /nfs/dbraw/zinc/44/86/37/1048448637.db2.gz HOWZWNXLMJXGKM-UHFFFAOYSA-N 1 0 317.452 4.034 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1ccc(-c2cc(C)cc(C)c2)cc1)[C@H]1CCCO1 ZINC001202074243 1048454357 /nfs/dbraw/zinc/45/43/57/1048454357.db2.gz KJKWURQKQTWTID-FGZHOGPDSA-N 1 0 319.448 4.241 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[C@H]2C)cc1OC ZINC001202136298 1048460867 /nfs/dbraw/zinc/46/08/67/1048460867.db2.gz YBZPPGWMPLLBGS-HIFRSBDPSA-N 1 0 323.864 4.439 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001175871008 1048487390 /nfs/dbraw/zinc/48/73/90/1048487390.db2.gz HOMCWXUNRISANV-SJORKVTESA-N 1 0 307.865 4.235 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)s1 ZINC000481816364 1048490905 /nfs/dbraw/zinc/49/09/05/1048490905.db2.gz RCJUFNGGOLUPOR-QWHCGFSZSA-N 1 0 300.402 4.185 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC000481808355 1048493174 /nfs/dbraw/zinc/49/31/74/1048493174.db2.gz AFPVLWFGUBVPNP-HOCLYGCPSA-N 1 0 312.363 4.262 20 30 DIEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC1(C#N)CC1 ZINC000481846959 1048503596 /nfs/dbraw/zinc/50/35/96/1048503596.db2.gz ULTSDHANOYKHEH-AWEZNQCLSA-N 1 0 321.262 4.006 20 30 DIEDRO CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)c1ccc2ccccc2c1 ZINC000600617509 1048506931 /nfs/dbraw/zinc/50/69/31/1048506931.db2.gz KHPBPVKRDNVIBR-MRXNPFEDSA-N 1 0 305.425 4.151 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC001202350229 1048519704 /nfs/dbraw/zinc/51/97/04/1048519704.db2.gz WJNNYEZDRLIPJP-UHFFFAOYSA-N 1 0 301.409 4.442 20 30 DIEDRO N#CCc1cccc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c1F ZINC001163848755 1048537321 /nfs/dbraw/zinc/53/73/21/1048537321.db2.gz WKKRMMORDHVGCX-UHFFFAOYSA-N 1 0 311.404 4.497 20 30 DIEDRO N#Cc1cc(C#N)cc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001163848703 1048538930 /nfs/dbraw/zinc/53/89/30/1048538930.db2.gz VOVGAQKRHQABRC-UHFFFAOYSA-N 1 0 304.397 4.036 20 30 DIEDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3c(C)cc(C#N)cc3C)C2)c1 ZINC001202409454 1048541836 /nfs/dbraw/zinc/54/18/36/1048541836.db2.gz XNGFWOFBKJTSJK-WGSAOQKQSA-N 1 0 320.436 4.220 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(OC)c(OC)cc2C)CCCCC1 ZINC001202406785 1048542340 /nfs/dbraw/zinc/54/23/40/1048542340.db2.gz CAOKPDCUBBPMEM-UHFFFAOYSA-N 1 0 303.446 4.381 20 30 DIEDRO N#CCCc1ccc(-n2c(C[NH3+])cc3cc(Cl)ccc32)cc1 ZINC001163898779 1048545215 /nfs/dbraw/zinc/54/52/15/1048545215.db2.gz XYASPKMAAJEALU-UHFFFAOYSA-N 1 0 309.800 4.199 20 30 DIEDRO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000775203833 1048559330 /nfs/dbraw/zinc/55/93/30/1048559330.db2.gz IHPLDABZOATOSH-ROUUACIJSA-N 1 0 322.452 4.349 20 30 DIEDRO CC#CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000482161320 1048567541 /nfs/dbraw/zinc/56/75/41/1048567541.db2.gz DMIBRKPCQONKJK-UHFFFAOYSA-N 1 0 321.449 4.104 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCC(=O)C(C)(C)C)cc1 ZINC001164007682 1048570414 /nfs/dbraw/zinc/57/04/14/1048570414.db2.gz JLBTZHYQEOENRN-KRWDZBQOSA-N 1 0 300.446 4.037 20 30 DIEDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000107320022 1048579955 /nfs/dbraw/zinc/57/99/55/1048579955.db2.gz ACDCEPHGLKIKHU-IAGOWNOFSA-N 1 0 308.425 4.445 20 30 DIEDRO CC(C)(C)c1noc(Nc2cccc(C[NH+]3CCCC3)c2)c1C#N ZINC001176195116 1048592729 /nfs/dbraw/zinc/59/27/29/1048592729.db2.gz UINYUBBNZFPMJK-UHFFFAOYSA-N 1 0 324.428 4.183 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000042364965 1048592804 /nfs/dbraw/zinc/59/28/04/1048592804.db2.gz MGWIGINDJKSHJQ-UHFFFAOYSA-N 1 0 304.315 4.209 20 30 DIEDRO C[NH+](C)CCOc1ccc(Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC001176229473 1048610450 /nfs/dbraw/zinc/61/04/50/1048610450.db2.gz VSKUQFBCKYGTEC-UHFFFAOYSA-N 1 0 323.440 4.172 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000850034247 1048613223 /nfs/dbraw/zinc/61/32/23/1048613223.db2.gz JCDPMVHQTXDVHM-UHFFFAOYSA-N 1 0 320.436 4.319 20 30 DIEDRO C[NH+](C)Cc1ccc(Nc2c(C#N)cccc2C(F)(F)F)cc1 ZINC001176293048 1048621815 /nfs/dbraw/zinc/62/18/15/1048621815.db2.gz FCNROPARUAWDCY-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000850225658 1048624769 /nfs/dbraw/zinc/62/47/69/1048624769.db2.gz GAXHIVVKLTWSQU-HXUWFJFHSA-N 1 0 300.405 4.096 20 30 DIEDRO Cc1cccc2c(C)cc(N3CCc4cc(C#N)ccc4C3)nc12 ZINC001164477930 1048632653 /nfs/dbraw/zinc/63/26/53/1048632653.db2.gz VVJWCOBPUPCITE-UHFFFAOYSA-N 1 0 313.404 4.286 20 30 DIEDRO C[C@]1(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[C@@]1(F)Cl ZINC000850339874 1048633652 /nfs/dbraw/zinc/63/36/52/1048633652.db2.gz SRQLUEJDACQLAP-RDJZCZTQSA-N 1 0 306.812 4.036 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(SC(F)F)cc2)CCOCC1 ZINC000850369945 1048642167 /nfs/dbraw/zinc/64/21/67/1048642167.db2.gz YLSDIFRJLUOCAA-UHFFFAOYSA-N 1 0 313.413 4.216 20 30 DIEDRO N#C[C@@H](S[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001189583337 1048643122 /nfs/dbraw/zinc/64/31/22/1048643122.db2.gz OBNLLONXTMOPCM-RTBURBONSA-N 1 0 314.498 4.467 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)cc1 ZINC000850391486 1048646613 /nfs/dbraw/zinc/64/66/13/1048646613.db2.gz RWDUAZAFJOUUND-KTAKPFMOSA-N 1 0 320.383 4.035 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](c3cccc(F)c3)C1)CC2 ZINC000568025424 1048648051 /nfs/dbraw/zinc/64/80/51/1048648051.db2.gz CODXWJILWZESLS-YVWKXTFCSA-N 1 0 306.384 4.220 20 30 DIEDRO N#Cc1ccccc1OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001164660048 1048651291 /nfs/dbraw/zinc/65/12/91/1048651291.db2.gz PBOZOUOQDMQFQM-UHFFFAOYSA-N 1 0 306.409 4.123 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1ccncc1 ZINC000850434963 1048657066 /nfs/dbraw/zinc/65/70/66/1048657066.db2.gz DZMBSAHRBAYDCO-SWLSCSKDSA-N 1 0 303.356 4.382 20 30 DIEDRO CCCCCCCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000775301124 1048659231 /nfs/dbraw/zinc/65/92/31/1048659231.db2.gz VUAWDHAFOPFZHH-UHFFFAOYSA-N 1 0 302.462 4.046 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001176364374 1048660269 /nfs/dbraw/zinc/66/02/69/1048660269.db2.gz CDXAHZWNVZACRD-OXQOHEQNSA-N 1 0 320.436 4.335 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001176364377 1048660470 /nfs/dbraw/zinc/66/04/70/1048660470.db2.gz CDXAHZWNVZACRD-UZLBHIALSA-N 1 0 320.436 4.335 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001176364369 1048660814 /nfs/dbraw/zinc/66/08/14/1048660814.db2.gz CDXAHZWNVZACRD-OXJNMPFZSA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc2c(c1)CCCO2 ZINC000850459865 1048665738 /nfs/dbraw/zinc/66/57/38/1048665738.db2.gz IMGVMEBQKUBEGR-KBPBESRZSA-N 1 0 324.399 4.434 20 30 DIEDRO C#CC[N@@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CCCc2ccccc21 ZINC001176453384 1048688275 /nfs/dbraw/zinc/68/82/75/1048688275.db2.gz SVOOQABZCIGARD-MAUKXSAKSA-N 1 0 303.396 4.435 20 30 DIEDRO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccc(OCC#N)cc1 ZINC000850549698 1048688924 /nfs/dbraw/zinc/68/89/24/1048688924.db2.gz KCBSIUZCVQIDFR-BZOOQXSSSA-N 1 0 320.383 4.208 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000924782301 1048704073 /nfs/dbraw/zinc/70/40/73/1048704073.db2.gz MHQDBQLMQIOMDX-KBAYOESNSA-N 1 0 300.446 4.072 20 30 DIEDRO Cc1ccccc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000160519898 1048704429 /nfs/dbraw/zinc/70/44/29/1048704429.db2.gz UXZIWUOMQPAKIW-UHFFFAOYSA-N 1 0 308.425 4.310 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC001206706392 1048706725 /nfs/dbraw/zinc/70/67/25/1048706725.db2.gz AXZSKMXMCJGDQX-CYBMUJFWSA-N 1 0 311.372 4.275 20 30 DIEDRO CC[NH+](CC)Cc1cncc(NC(C)(C)c2ccc(C#N)cc2)c1 ZINC001165761056 1048716390 /nfs/dbraw/zinc/71/63/90/1048716390.db2.gz QZVOLJVCQMSXJH-UHFFFAOYSA-N 1 0 322.456 4.142 20 30 DIEDRO CCC(CC)C[N@H+](CC)Cc1ccc(C#N)cc1OC(F)F ZINC001190326053 1048718906 /nfs/dbraw/zinc/71/89/06/1048718906.db2.gz YVFCBICZZJYYMP-UHFFFAOYSA-N 1 0 310.388 4.418 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(C)CCCCCC2)cc1 ZINC000776497428 1048720329 /nfs/dbraw/zinc/72/03/29/1048720329.db2.gz IEVYBBFCHCYCRX-MRXNPFEDSA-N 1 0 300.446 4.428 20 30 DIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccccc3Cl)sc2C1 ZINC001176551490 1048723988 /nfs/dbraw/zinc/72/39/88/1048723988.db2.gz RSEOQSMQSGUIBZ-UHFFFAOYSA-N 1 0 303.818 4.005 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)ccc1F ZINC001190392997 1048726219 /nfs/dbraw/zinc/72/62/19/1048726219.db2.gz WYSBLNPQHBDELW-LJQANCHMSA-N 1 0 308.400 4.295 20 30 DIEDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160650936 1048726790 /nfs/dbraw/zinc/72/67/90/1048726790.db2.gz ROIMUDDPVRRNDI-LLVKDONJSA-N 1 0 304.315 4.169 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)ccc1F ZINC001190392996 1048727501 /nfs/dbraw/zinc/72/75/01/1048727501.db2.gz WYSBLNPQHBDELW-IBGZPJMESA-N 1 0 308.400 4.295 20 30 DIEDRO CCOc1cccc(Cl)c1C[NH+]1CCC(CCC#N)CC1 ZINC000568181281 1048731678 /nfs/dbraw/zinc/73/16/78/1048731678.db2.gz PBNBLRYPKVCQQK-UHFFFAOYSA-N 1 0 306.837 4.254 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000483098972 1048734813 /nfs/dbraw/zinc/73/48/13/1048734813.db2.gz DTQVLPFXJLOSAC-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO CC[N@H+](Cc1c(C)cc(C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC001190476136 1048738914 /nfs/dbraw/zinc/73/89/14/1048738914.db2.gz OIASOXXWIVDVPM-QGZVFWFLSA-N 1 0 307.441 4.462 20 30 DIEDRO CC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190503789 1048746678 /nfs/dbraw/zinc/74/66/78/1048746678.db2.gz XWWKXTYEMAZCRE-HNNXBMFYSA-N 1 0 311.347 4.201 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C(=O)O[C@@H](C)CC(C)(C)C#N)cc1 ZINC000851205406 1048750427 /nfs/dbraw/zinc/75/04/27/1048750427.db2.gz ZJBMJECHKDYREI-HNNXBMFYSA-N 1 0 316.445 4.014 20 30 DIEDRO CCCCCCCCC[N@H+](C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC001190494522 1048750820 /nfs/dbraw/zinc/75/08/20/1048750820.db2.gz ODJIUSMZLSTDII-RCCFBDPRSA-N 1 0 308.510 4.116 20 30 DIEDRO C#CCCC[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000775394569 1048751162 /nfs/dbraw/zinc/75/11/62/1048751162.db2.gz RJFWXMYOTDCTTC-IAQYHMDHSA-N 1 0 324.287 4.235 20 30 DIEDRO C#CCCC[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000775394580 1048751959 /nfs/dbraw/zinc/75/19/59/1048751959.db2.gz RJFWXMYOTDCTTC-XHDPSFHLSA-N 1 0 324.287 4.235 20 30 DIEDRO CC(C)[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000775396262 1048753509 /nfs/dbraw/zinc/75/35/09/1048753509.db2.gz VIBIVTSSNCPXJM-QUCCMNQESA-N 1 0 305.425 4.318 20 30 DIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1cccc(C(C)C)c1)c1ccccc1 ZINC000775397996 1048753720 /nfs/dbraw/zinc/75/37/20/1048753720.db2.gz DCFNBBQDFIBEEE-HXUWFJFHSA-N 1 0 320.436 4.103 20 30 DIEDRO CCC(CC)(C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)SC ZINC000775398420 1048764130 /nfs/dbraw/zinc/76/41/30/1048764130.db2.gz YLNNLNJZXPGERJ-QGZVFWFLSA-N 1 0 302.487 4.447 20 30 DIEDRO C#CC[C@@H]([NH2+]CCOc1ccc(SC)cc1)c1ccccc1 ZINC000775400206 1048765208 /nfs/dbraw/zinc/76/52/08/1048765208.db2.gz MSMDYZIKEZOLJN-LJQANCHMSA-N 1 0 311.450 4.142 20 30 DIEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483279728 1048769488 /nfs/dbraw/zinc/76/94/88/1048769488.db2.gz IFTLTACKAPJGAJ-ZIAGYGMSSA-N 1 0 315.848 4.174 20 30 DIEDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc1C#N ZINC000483357185 1048784338 /nfs/dbraw/zinc/78/43/38/1048784338.db2.gz PBXSUUMRZJSJEH-PWRODBHTSA-N 1 0 319.452 4.055 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775409234 1048784827 /nfs/dbraw/zinc/78/48/27/1048784827.db2.gz DTGDQSUMSAGWQD-JLTOFOAXSA-N 1 0 308.400 4.296 20 30 DIEDRO CSCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC001176804544 1048788424 /nfs/dbraw/zinc/78/84/24/1048788424.db2.gz RIUJGAWJAYZYFJ-UHFFFAOYSA-N 1 0 310.466 4.456 20 30 DIEDRO C=CCCC[N@@H+](CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001190855991 1048795277 /nfs/dbraw/zinc/79/52/77/1048795277.db2.gz WYAXNIVESVKCJQ-FQEVSTJZSA-N 1 0 300.490 4.329 20 30 DIEDRO N#Cc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1F ZINC000483517317 1048811280 /nfs/dbraw/zinc/81/12/80/1048811280.db2.gz SDQJHXODHWTPRT-UHFFFAOYSA-N 1 0 310.347 4.126 20 30 DIEDRO N#CCc1c(F)cccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166909932 1048813701 /nfs/dbraw/zinc/81/37/01/1048813701.db2.gz KRZKEJQRAJBECY-HXUWFJFHSA-N 1 0 323.415 4.141 20 30 DIEDRO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC1CCCCC1 ZINC001190984677 1048813949 /nfs/dbraw/zinc/81/39/49/1048813949.db2.gz KWOMMLZXYNSOPI-PKOBYXMFSA-N 1 0 320.521 4.092 20 30 DIEDRO C[C@@H]([NH2+]CCOC(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000851919667 1048814911 /nfs/dbraw/zinc/81/49/11/1048814911.db2.gz MKYFMTGRNOUDRP-CYBMUJFWSA-N 1 0 316.351 4.115 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000852099475 1048823096 /nfs/dbraw/zinc/82/30/96/1048823096.db2.gz AFESPBZMRQKMGQ-NRFANRHFSA-N 1 0 320.436 4.074 20 30 DIEDRO CC(C)CC[C@H](C)[NH2+]Cc1cc(C#N)ccc1Br ZINC001177076748 1048826385 /nfs/dbraw/zinc/82/63/85/1048826385.db2.gz SAVXWMHLWWYLDQ-LBPRGKRZSA-N 1 0 309.251 4.235 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483651227 1048831677 /nfs/dbraw/zinc/83/16/77/1048831677.db2.gz JONFQSKMWNASFL-YUTCNCBUSA-N 1 0 317.408 4.435 20 30 DIEDRO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001177098835 1048831630 /nfs/dbraw/zinc/83/16/30/1048831630.db2.gz QAWBZXDLOCTGRV-QGZVFWFLSA-N 1 0 304.437 4.353 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2cc[nH]c2c1 ZINC001167024456 1048832694 /nfs/dbraw/zinc/83/26/94/1048832694.db2.gz XVHUPODRRMAYNN-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO CC[C@H](c1ccc(F)cc1)N1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328465 1048833064 /nfs/dbraw/zinc/83/30/64/1048833064.db2.gz FSFXMKXSXXNXFN-QUCCMNQESA-N 1 0 323.415 4.229 20 30 DIEDRO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001177098734 1048833631 /nfs/dbraw/zinc/83/36/31/1048833631.db2.gz QAWBZXDLOCTGRV-KRWDZBQOSA-N 1 0 304.437 4.353 20 30 DIEDRO CCCCCCCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001191061685 1048834328 /nfs/dbraw/zinc/83/43/28/1048834328.db2.gz VLEDQEYPKZIUJH-GOSISDBHSA-N 1 0 323.525 4.007 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000852319904 1048834884 /nfs/dbraw/zinc/83/48/84/1048834884.db2.gz TTXQCZARYBOJMO-LBPRGKRZSA-N 1 0 314.376 4.424 20 30 DIEDRO CCCCCCCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC001177133546 1048836489 /nfs/dbraw/zinc/83/64/89/1048836489.db2.gz YUAVYLMHQWXEFD-UHFFFAOYSA-N 1 0 305.388 4.279 20 30 DIEDRO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000852329290 1048838139 /nfs/dbraw/zinc/83/81/39/1048838139.db2.gz XRHKRNWTMGXYJL-TZIWHRDSSA-N 1 0 317.436 4.016 20 30 DIEDRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]CCCC#N)cc1 ZINC000483695843 1048843390 /nfs/dbraw/zinc/84/33/90/1048843390.db2.gz GMBCPNMAEXTCKV-RTBURBONSA-N 1 0 316.445 4.059 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001203228689 1048849913 /nfs/dbraw/zinc/84/99/13/1048849913.db2.gz VLNZKTHSUYFMQU-UHFFFAOYSA-N 1 0 323.234 4.425 20 30 DIEDRO CCCCCCCNC(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001191098137 1048850384 /nfs/dbraw/zinc/85/03/84/1048850384.db2.gz RRKGWXURJUNFMF-SFHVURJKSA-N 1 0 323.525 4.007 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)C1 ZINC001177240772 1048851967 /nfs/dbraw/zinc/85/19/67/1048851967.db2.gz USBNMMDLBUWZGW-WBVHZDCISA-N 1 0 324.424 4.366 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483727223 1048852853 /nfs/dbraw/zinc/85/28/53/1048852853.db2.gz MUOZRGQNUKRCPM-VLIAUNLRSA-N 1 0 324.399 4.289 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000852893567 1048864215 /nfs/dbraw/zinc/86/42/15/1048864215.db2.gz OLQSICNMJUOJHH-IAGOWNOFSA-N 1 0 308.510 4.164 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)C1 ZINC001177312300 1048866077 /nfs/dbraw/zinc/86/60/77/1048866077.db2.gz LMWKACZGJFWTSI-MJGOQNOKSA-N 1 0 313.489 4.296 20 30 DIEDRO C[NH+](C)[C@@H]1CCOc2c(NC=Cc3ccc(C#N)cc3)cccc21 ZINC001203308544 1048866121 /nfs/dbraw/zinc/86/61/21/1048866121.db2.gz UYIQTGIPCWNQJR-FMAYLGMYSA-N 1 0 319.408 4.026 20 30 DIEDRO Cc1cccc([C@H]2CCCCC[N@@H+]2Cc2cncc(C#N)c2)c1 ZINC001191132284 1048875437 /nfs/dbraw/zinc/87/54/37/1048875437.db2.gz JOAUZQWGTPDNDZ-HXUWFJFHSA-N 1 0 305.425 4.379 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483949955 1048887207 /nfs/dbraw/zinc/88/72/07/1048887207.db2.gz UCTNKFQFXDBWCC-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001191214097 1048888352 /nfs/dbraw/zinc/88/83/52/1048888352.db2.gz MLGNEQJJTIHNDF-YLJYHZDGSA-N 1 0 314.473 4.123 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)Cc1ccsc1 ZINC000484010477 1048889751 /nfs/dbraw/zinc/88/97/51/1048889751.db2.gz BRKJLUZMWHHHMO-CYBMUJFWSA-N 1 0 302.418 4.212 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C#N)c(F)c1 ZINC000853242758 1048892098 /nfs/dbraw/zinc/89/20/98/1048892098.db2.gz RYOFPFHMMBBZAU-KBPBESRZSA-N 1 0 324.399 4.434 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000484079192 1048895615 /nfs/dbraw/zinc/89/56/15/1048895615.db2.gz FIJSWPOYMNVFEX-GFCCVEGCSA-N 1 0 318.779 4.080 20 30 DIEDRO FC(F)(F)[C@H]1CCC[C@H](C=[NH+]n2cnnc2-c2ccccc2)C1 ZINC000853284157 1048896556 /nfs/dbraw/zinc/89/65/56/1048896556.db2.gz RRTZDIFASMUCKX-JSGCOSHPSA-N 1 0 322.334 4.148 20 30 DIEDRO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CCCC#N ZINC000484092817 1048899612 /nfs/dbraw/zinc/89/96/12/1048899612.db2.gz LOFDXDATXZKCRX-DYESRHJHSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[C@@H]1c1ccccc1 ZINC001191223198 1048902236 /nfs/dbraw/zinc/90/22/36/1048902236.db2.gz MUUWERQHCULFPC-UTKZUKDTSA-N 1 0 304.437 4.378 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1C#N ZINC001191223462 1048902802 /nfs/dbraw/zinc/90/28/02/1048902802.db2.gz OIDICCHEDWUZCM-DYESRHJHSA-N 1 0 304.437 4.492 20 30 DIEDRO Cc1ccc(C(C)(C)C[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC001191231070 1048905343 /nfs/dbraw/zinc/90/53/43/1048905343.db2.gz BSTIWMSUBGVNSQ-UHFFFAOYSA-N 1 0 310.416 4.415 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CCCC1 ZINC001203470327 1048910330 /nfs/dbraw/zinc/91/03/30/1048910330.db2.gz FGHYWMKYAJNXON-UHFFFAOYSA-N 1 0 306.409 4.218 20 30 DIEDRO CCC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1O ZINC001191278617 1048913798 /nfs/dbraw/zinc/91/37/98/1048913798.db2.gz SPMLEJGAGHEUJE-UHFFFAOYSA-N 1 0 313.828 4.309 20 30 DIEDRO CCc1ccc([C@@H]2CN([C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000484355637 1048929011 /nfs/dbraw/zinc/92/90/11/1048929011.db2.gz LLIBEFMFHAGUJK-KKSFZXQISA-N 1 0 320.436 4.255 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC001177729466 1048933245 /nfs/dbraw/zinc/93/32/45/1048933245.db2.gz PJPRJEQNWSNURZ-DLBZAZTESA-N 1 0 324.509 4.356 20 30 DIEDRO CC(C)(C#N)c1ccc(CNc2ccc3c([nH+]2)CCCC3)cc1 ZINC001203566737 1048933783 /nfs/dbraw/zinc/93/37/83/1048933783.db2.gz ZKOVRCWCZMWARI-UHFFFAOYSA-N 1 0 305.425 4.374 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC001177693614 1048934715 /nfs/dbraw/zinc/93/47/15/1048934715.db2.gz WAMXHANDQVHKPJ-JSGCOSHPSA-N 1 0 309.837 4.192 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC001191367615 1048935110 /nfs/dbraw/zinc/93/51/10/1048935110.db2.gz RLMYHTBPLMRBPO-HOTGVXAUSA-N 1 0 306.862 4.072 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC001191367616 1048935586 /nfs/dbraw/zinc/93/55/86/1048935586.db2.gz RLMYHTBPLMRBPO-HZPDHXFCSA-N 1 0 306.862 4.072 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC001191367614 1048936064 /nfs/dbraw/zinc/93/60/64/1048936064.db2.gz RLMYHTBPLMRBPO-CVEARBPZSA-N 1 0 306.862 4.072 20 30 DIEDRO CCSc1ccccc1CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC001203598316 1048940488 /nfs/dbraw/zinc/94/04/88/1048940488.db2.gz QPDLZNVWKNZZNE-UHFFFAOYSA-N 1 0 310.466 4.311 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2C)cc1OC ZINC001177765770 1048941672 /nfs/dbraw/zinc/94/16/72/1048941672.db2.gz YBSJSWISOPRZQH-WFASDCNBSA-N 1 0 309.837 4.192 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(F)c3ccccc23)cc1C#N ZINC001203639996 1048943328 /nfs/dbraw/zinc/94/33/28/1048943328.db2.gz YOVBPHSLLFRCRR-UHFFFAOYSA-N 1 0 304.368 4.449 20 30 DIEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001191477586 1048950016 /nfs/dbraw/zinc/95/00/16/1048950016.db2.gz ZBSRKFUWWCYWBR-PXNSSMCTSA-N 1 0 307.412 4.130 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1cncc(C#N)c1 ZINC001191485462 1048951696 /nfs/dbraw/zinc/95/16/96/1048951696.db2.gz HOYXPDYRWBVEQO-KBPBESRZSA-N 1 0 313.832 4.231 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)c1cccc(C#N)c1 ZINC001203665719 1048955541 /nfs/dbraw/zinc/95/55/41/1048955541.db2.gz QKUSMJCEQDSBPC-SNVBAGLBSA-N 1 0 320.223 4.298 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000775463171 1048956538 /nfs/dbraw/zinc/95/65/38/1048956538.db2.gz JBMDODZGASFCMS-UXHICEINSA-N 1 0 322.452 4.277 20 30 DIEDRO COc1ccc(O)c(C[N@H+](CCC#N)C2CCCCCCC2)c1 ZINC001203674987 1048959841 /nfs/dbraw/zinc/95/98/41/1048959841.db2.gz GLNFDTPTYBRCQX-UHFFFAOYSA-N 1 0 316.445 4.229 20 30 DIEDRO C=CC[N@@H+](Cc1cc(F)cc2c1OCOC2)CC1CCCCC1 ZINC000484512710 1048961427 /nfs/dbraw/zinc/96/14/27/1048961427.db2.gz HDWLYFSWSAVETB-UHFFFAOYSA-N 1 0 319.420 4.261 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccc(C)s2)cc1 ZINC000776726034 1048962206 /nfs/dbraw/zinc/96/22/06/1048962206.db2.gz RXCSPOCOLCZPFG-GDBMZVCRSA-N 1 0 313.466 4.350 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1Br)C1CCCC1 ZINC001191582599 1048962636 /nfs/dbraw/zinc/96/26/36/1048962636.db2.gz SZPPZDFRQUAZEQ-UHFFFAOYSA-N 1 0 321.262 4.474 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000776727198 1048964757 /nfs/dbraw/zinc/96/47/57/1048964757.db2.gz CKZCQLBRGQLLLK-CQSZACIVSA-N 1 0 314.429 4.281 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC001191552847 1048964632 /nfs/dbraw/zinc/96/46/32/1048964632.db2.gz XPTRTDQGXDLRIR-UHFFFAOYSA-N 1 0 312.457 4.100 20 30 DIEDRO N#CC1(CC[N@@H+]2CCOC3(C2)CCCCCC3)CCCCC1 ZINC001191552896 1048964946 /nfs/dbraw/zinc/96/49/46/1048964946.db2.gz YYRVNHFOJFTCGW-UHFFFAOYSA-N 1 0 304.478 4.276 20 30 DIEDRO C#Cc1ccc(C[NH2+]C[C@@H](CC)Oc2ccccc2Cl)cc1 ZINC001177948968 1048967909 /nfs/dbraw/zinc/96/79/09/1048967909.db2.gz MQZZVKFBWBSNKC-QGZVFWFLSA-N 1 0 313.828 4.269 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)cc1 ZINC000484573510 1048971570 /nfs/dbraw/zinc/97/15/70/1048971570.db2.gz YDHLMBHEXGMYEJ-HXUWFJFHSA-N 1 0 306.409 4.083 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)CC1CCCCC1 ZINC000484572652 1048972317 /nfs/dbraw/zinc/97/23/17/1048972317.db2.gz QAZJFHCQJMQAPB-UHFFFAOYSA-N 1 0 314.473 4.310 20 30 DIEDRO CCCCCCCC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000854676982 1048985441 /nfs/dbraw/zinc/98/54/41/1048985441.db2.gz WPGWAEHVXGHAEA-UHFFFAOYSA-N 1 0 322.537 4.460 20 30 DIEDRO CC(C)(C)n1cc(C#N)cc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203774118 1048995440 /nfs/dbraw/zinc/99/54/40/1048995440.db2.gz XASYOXXXXWIJBR-UHFFFAOYSA-N 1 0 322.456 4.454 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c(C)c1 ZINC001203744509 1048997111 /nfs/dbraw/zinc/99/71/11/1048997111.db2.gz HGHMRJIHSAXZKW-UHFFFAOYSA-N 1 0 322.427 4.500 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](CCC=C)c2ccccc2)cc1 ZINC001178249548 1049001098 /nfs/dbraw/zinc/00/10/98/1049001098.db2.gz QPWUUQWPYJABGY-OAQYLSRUSA-N 1 0 305.421 4.496 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC(C)C)cc1OC ZINC001178272244 1049008643 /nfs/dbraw/zinc/00/86/43/1049008643.db2.gz LDFDVLKTKLJOGW-ZDUSSCGKSA-N 1 0 311.853 4.438 20 30 DIEDRO Cc1cc(C#N)c(F)cc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203826862 1049011284 /nfs/dbraw/zinc/01/12/84/1049011284.db2.gz NYFWWDCCUUGHOZ-UHFFFAOYSA-N 1 0 309.388 4.345 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000776794704 1049012931 /nfs/dbraw/zinc/01/29/31/1049012931.db2.gz HCXVEGHNGZZNPE-NRFANRHFSA-N 1 0 319.452 4.270 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCC3(CC3)C2)ccc1OC ZINC001203831819 1049013260 /nfs/dbraw/zinc/01/32/60/1049013260.db2.gz ZBYSTUUGMBXQKK-KRWDZBQOSA-N 1 0 315.457 4.463 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)ccc1O ZINC000775491612 1049019430 /nfs/dbraw/zinc/01/94/30/1049019430.db2.gz GDPWFTBWVMNXLT-INIZCTEOSA-N 1 0 300.789 4.158 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(Sc3ccccc3)CC2)cc1 ZINC001203905216 1049027934 /nfs/dbraw/zinc/02/79/34/1049027934.db2.gz XCNDKCINIOMRNX-UHFFFAOYSA-N 1 0 308.450 4.315 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC001203900100 1049029121 /nfs/dbraw/zinc/02/91/21/1049029121.db2.gz RSPHYTXMTNTNNO-UHFFFAOYSA-N 1 0 313.404 4.156 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000113314096 1049032794 /nfs/dbraw/zinc/03/27/94/1049032794.db2.gz LARHFRMOGZJBRW-LJQANCHMSA-N 1 0 323.461 4.415 20 30 DIEDRO N#Cc1cncc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC001192081150 1049033664 /nfs/dbraw/zinc/03/36/64/1049033664.db2.gz SUYSGGNRKSHZDD-OAQYLSRUSA-N 1 0 313.404 4.027 20 30 DIEDRO CN(C)c1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cc1 ZINC001203934024 1049034588 /nfs/dbraw/zinc/03/45/88/1049034588.db2.gz KCKAJEOGHSVOLC-UHFFFAOYSA-N 1 0 319.452 4.004 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(Cc3ccccc3)CC2)cc1 ZINC001178524584 1049050674 /nfs/dbraw/zinc/05/06/74/1049050674.db2.gz KPMJRTRDSGOBGH-UHFFFAOYSA-N 1 0 304.437 4.353 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC001178581077 1049055418 /nfs/dbraw/zinc/05/54/18/1049055418.db2.gz DJGUQZGYYZBOGH-INIZCTEOSA-N 1 0 303.837 4.278 20 30 DIEDRO C=CCCCC[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001178545788 1049055549 /nfs/dbraw/zinc/05/55/49/1049055549.db2.gz AUYNLYFOVMOOJT-UHFFFAOYSA-N 1 0 318.461 4.157 20 30 DIEDRO C=CC[C@@H](C)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001192183613 1049057097 /nfs/dbraw/zinc/05/70/97/1049057097.db2.gz KQDCKYRPSPUOMI-LJQANCHMSA-N 1 0 312.501 4.472 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001178584639 1049058268 /nfs/dbraw/zinc/05/82/68/1049058268.db2.gz NBBUFFVBOMUABV-CTNGQTDRSA-N 1 0 307.437 4.424 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC001178584733 1049058485 /nfs/dbraw/zinc/05/84/85/1049058485.db2.gz OHIJDOCFQGPUFI-BDJLRTHQSA-N 1 0 322.861 4.021 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000113952428 1049077611 /nfs/dbraw/zinc/07/76/11/1049077611.db2.gz NWZGQGUMFOHPAL-KSSFIOAISA-N 1 0 312.388 4.357 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)cc1 ZINC001178709706 1049079434 /nfs/dbraw/zinc/07/94/34/1049079434.db2.gz KBLYJHGZWBYDRH-UHFFFAOYSA-N 1 0 313.828 4.377 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2Cl)cc1 ZINC001178754262 1049083197 /nfs/dbraw/zinc/08/31/97/1049083197.db2.gz HNKUPWPDSJEISC-UHFFFAOYSA-N 1 0 320.219 4.295 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](OC)[C@@H](C)CC)cc1Cl ZINC001178766841 1049084838 /nfs/dbraw/zinc/08/48/38/1049084838.db2.gz XQGHYQBWFPYFAY-GUYCJALGSA-N 1 0 311.853 4.056 20 30 DIEDRO N#Cc1cccc(C#N)c1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204109748 1049085459 /nfs/dbraw/zinc/08/54/59/1049085459.db2.gz XNVROXZSTBTYHB-UHFFFAOYSA-N 1 0 316.408 4.159 20 30 DIEDRO COc1cccc(Nc2cccc(C[NH+]3CCCCC3)c2)c1C#N ZINC001204118758 1049088145 /nfs/dbraw/zinc/08/81/45/1049088145.db2.gz QERQSUXVCSEODJ-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC001178794791 1049089392 /nfs/dbraw/zinc/08/93/92/1049089392.db2.gz DJRBMYGWRZKNLF-UHFFFAOYSA-N 1 0 319.399 4.057 20 30 DIEDRO CCCCC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000856732869 1049102005 /nfs/dbraw/zinc/10/20/05/1049102005.db2.gz GFWBZJCRLCXALX-MSOLQXFVSA-N 1 0 302.462 4.198 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC001203294060 1049102374 /nfs/dbraw/zinc/10/23/74/1049102374.db2.gz FKUBIDJNUAISIE-AWEZNQCLSA-N 1 0 317.429 4.072 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000856779511 1049106046 /nfs/dbraw/zinc/10/60/46/1049106046.db2.gz ZNKWRLOMOSPUAY-GUBZILKMSA-N 1 0 317.742 4.097 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC001178939590 1049110949 /nfs/dbraw/zinc/11/09/49/1049110949.db2.gz LGIZZQVQQAAGMC-HNNXBMFYSA-N 1 0 304.796 4.151 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC#Cc2ccc(F)cc2)c1 ZINC001192500171 1049111062 /nfs/dbraw/zinc/11/10/62/1049111062.db2.gz HKBGDXULYPOCNN-IIBYNOLFSA-N 1 0 323.411 4.269 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)cc(OC)c1O ZINC001178950606 1049112721 /nfs/dbraw/zinc/11/27/21/1049112721.db2.gz PZGVWUWSAJZCMJ-QZTJIDSGSA-N 1 0 315.457 4.045 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(OC)c(C(C)(C)C)c2)c1 ZINC001178949052 1049113182 /nfs/dbraw/zinc/11/31/82/1049113182.db2.gz CPAQBSDOKUSUJN-UHFFFAOYSA-N 1 0 307.437 4.264 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC001204227109 1049114121 /nfs/dbraw/zinc/11/41/21/1049114121.db2.gz XOJJUORGNGSJAJ-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]CCCOc1cccc(C#N)c1)C1CC1 ZINC001192594674 1049120247 /nfs/dbraw/zinc/12/02/47/1049120247.db2.gz IXAVLEBSLWNNGV-NRFANRHFSA-N 1 0 320.436 4.377 20 30 DIEDRO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001179003392 1049120360 /nfs/dbraw/zinc/12/03/60/1049120360.db2.gz ZYHVBOPXYHAMAK-RVKKMQEKSA-N 1 0 317.452 4.090 20 30 DIEDRO Cc1cc(C[NH2+]CC2(c3ccccc3F)CCC2)ccc1C#N ZINC001179081134 1049128514 /nfs/dbraw/zinc/12/85/14/1049128514.db2.gz ARWNBDPEPKLULC-UHFFFAOYSA-N 1 0 308.400 4.217 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C2(c3ccccc3C)CCC2)cc1 ZINC001179072254 1049128582 /nfs/dbraw/zinc/12/85/82/1049128582.db2.gz OFBPFFWLHWEJDC-UHFFFAOYSA-N 1 0 305.421 4.176 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2cc(F)c(OC)cc2OC)CCCC1 ZINC001179142387 1049130281 /nfs/dbraw/zinc/13/02/81/1049130281.db2.gz GYIICTYYFAPGLV-UHFFFAOYSA-N 1 0 321.436 4.459 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC001179142341 1049130730 /nfs/dbraw/zinc/13/07/30/1049130730.db2.gz FKPVUOQDVYZVAH-GHTZIAJQSA-N 1 0 323.484 4.252 20 30 DIEDRO CCCCCCCCCN(C)C(=O)Nc1ccccc1C[NH3+] ZINC000904667353 1049131523 /nfs/dbraw/zinc/13/15/23/1049131523.db2.gz WVYQYOSTWFRUCX-UHFFFAOYSA-N 1 0 305.466 4.360 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC001179142897 1049131528 /nfs/dbraw/zinc/13/15/28/1049131528.db2.gz OSBOZJMQKFNQET-FUHWJXTLSA-N 1 0 301.430 4.006 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC001179143027 1049132156 /nfs/dbraw/zinc/13/21/56/1049132156.db2.gz OSBOZJMQKFNQET-WMZOPIPTSA-N 1 0 301.430 4.006 20 30 DIEDRO C=CCOc1ccc(C[N@H+](CC)Cc2ccc(OC)cc2)cc1 ZINC001204303192 1049134196 /nfs/dbraw/zinc/13/41/96/1049134196.db2.gz BSCQGMBFOZUIAS-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc([Si](C)(C)C)cc2)C1 ZINC001179178360 1049134897 /nfs/dbraw/zinc/13/48/97/1049134897.db2.gz TVUQKIRNNNDXCJ-ROUUACIJSA-N 1 0 301.550 4.109 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001192756972 1049137825 /nfs/dbraw/zinc/13/78/25/1049137825.db2.gz KEQZRPKGGSNLII-CVEARBPZSA-N 1 0 315.457 4.469 20 30 DIEDRO CCCCCCCCOc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001204311589 1049138885 /nfs/dbraw/zinc/13/88/85/1049138885.db2.gz IPJRCUUENMUIKH-UHFFFAOYSA-N 1 0 319.489 4.383 20 30 DIEDRO CCc1ccc(C2=CC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC001192858814 1049144824 /nfs/dbraw/zinc/14/48/24/1049144824.db2.gz NPKCTJWANVBTPO-UHFFFAOYSA-N 1 0 302.421 4.410 20 30 DIEDRO C=CCOCC[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001179237786 1049146141 /nfs/dbraw/zinc/14/61/41/1049146141.db2.gz AYVBZBZWLIYEER-UHFFFAOYSA-N 1 0 301.817 4.299 20 30 DIEDRO CO[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC001179248442 1049147708 /nfs/dbraw/zinc/14/77/08/1049147708.db2.gz RUJOZOMZVQMEIQ-IBGZPJMESA-N 1 0 314.473 4.173 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)c(F)c1 ZINC001179285638 1049151147 /nfs/dbraw/zinc/15/11/47/1049151147.db2.gz OSFAMXNCRFTAGW-JCNLHEQBSA-N 1 0 312.413 4.110 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)cc1 ZINC001204366862 1049151641 /nfs/dbraw/zinc/15/16/41/1049151641.db2.gz YNTWKRUPIBHIRA-IEBWSBKVSA-N 1 0 319.489 4.381 20 30 DIEDRO CCCCCCCOc1ccc(C[NH+]2CCC(C)(O)CC2)cc1 ZINC001204368630 1049153142 /nfs/dbraw/zinc/15/31/42/1049153142.db2.gz HZETVCMEZQYQQX-UHFFFAOYSA-N 1 0 319.489 4.383 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC001204367998 1049153567 /nfs/dbraw/zinc/15/35/67/1049153567.db2.gz CEKXUZHFAKPPJY-IBGZPJMESA-N 1 0 319.489 4.383 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)cc1 ZINC001204368467 1049153633 /nfs/dbraw/zinc/15/36/33/1049153633.db2.gz FUEGWWKXAOKHTP-FQEVSTJZSA-N 1 0 319.489 4.240 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001192931103 1049155272 /nfs/dbraw/zinc/15/52/72/1049155272.db2.gz IVNWILZSRZRNOB-ZWKOTPCHSA-N 1 0 323.525 4.005 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC001204441244 1049163325 /nfs/dbraw/zinc/16/33/25/1049163325.db2.gz HNXOEDCJESYCOO-OAQYLSRUSA-N 1 0 323.436 4.043 20 30 DIEDRO C#CC1([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CCCC1 ZINC001179437842 1049164059 /nfs/dbraw/zinc/16/40/59/1049164059.db2.gz OUZYUUYQFSDUNN-UHFFFAOYSA-N 1 0 316.857 4.499 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](CC(C)C)C2)cc1C#N ZINC001179448227 1049166402 /nfs/dbraw/zinc/16/64/02/1049166402.db2.gz ZKAAQYXOWPDTLW-QAPCUYQASA-N 1 0 300.446 4.261 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)C2 ZINC001179419460 1049167754 /nfs/dbraw/zinc/16/77/54/1049167754.db2.gz MPRHTWKABTXSRJ-CYBMUJFWSA-N 1 0 323.248 4.184 20 30 DIEDRO CCc1cccc2cc(C[NH2+][C@H]3Cc4ccc(C#N)cc4C3)oc21 ZINC001179419839 1049167803 /nfs/dbraw/zinc/16/78/03/1049167803.db2.gz UKKUPFXUHOJUDN-IBGZPJMESA-N 1 0 316.404 4.124 20 30 DIEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001193069083 1049170977 /nfs/dbraw/zinc/17/09/77/1049170977.db2.gz LLTRMYMTVCWYBK-OAQYLSRUSA-N 1 0 320.436 4.034 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc(F)c1C#N ZINC001204479822 1049172040 /nfs/dbraw/zinc/17/20/40/1049172040.db2.gz LTGUTFVHOBZHCZ-CZUORRHYSA-N 1 0 312.363 4.214 20 30 DIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001193082333 1049174015 /nfs/dbraw/zinc/17/40/15/1049174015.db2.gz QUSQJAGFCQTWBC-IEBWSBKVSA-N 1 0 300.446 4.276 20 30 DIEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001193082335 1049174700 /nfs/dbraw/zinc/17/47/00/1049174700.db2.gz QUSQJAGFCQTWBC-PKOBYXMFSA-N 1 0 300.446 4.276 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2)C1 ZINC001179559794 1049177732 /nfs/dbraw/zinc/17/77/32/1049177732.db2.gz VXJPTVKLFFVKSI-SWLSCSKDSA-N 1 0 324.262 4.292 20 30 DIEDRO Cc1c(F)cccc1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001204513634 1049178611 /nfs/dbraw/zinc/17/86/11/1049178611.db2.gz IXOQPVHZVCOTSX-IBGZPJMESA-N 1 0 324.399 4.049 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001193142093 1049183303 /nfs/dbraw/zinc/18/33/03/1049183303.db2.gz QKPUZHQPYGLJEE-IBGZPJMESA-N 1 0 324.509 4.290 20 30 DIEDRO C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC001204552108 1049187827 /nfs/dbraw/zinc/18/78/27/1049187827.db2.gz NHJJDYUVNKWGAC-OAHLLOKOSA-N 1 0 310.466 4.366 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(N(C)C)cc1 ZINC000775583390 1049191180 /nfs/dbraw/zinc/19/11/80/1049191180.db2.gz UMMHEBIGHSSADR-VFNWGFHPSA-N 1 0 319.452 4.352 20 30 DIEDRO N#Cc1csc(C[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)n1 ZINC001179681646 1049197347 /nfs/dbraw/zinc/19/73/47/1049197347.db2.gz QYUJGHIWPVWCCT-HOTGVXAUSA-N 1 0 311.454 4.221 20 30 DIEDRO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000776966501 1049197692 /nfs/dbraw/zinc/19/76/92/1049197692.db2.gz PLMJGVJYNHAXCE-YLZJTPGZSA-N 1 0 320.436 4.360 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC1CC1 ZINC001204640122 1049207122 /nfs/dbraw/zinc/20/71/22/1049207122.db2.gz BFDLULPUOKMVKI-UHFFFAOYSA-N 1 0 301.739 4.204 20 30 DIEDRO C#CC[N@H+](CC(Cc1ccccc1)Cc1ccccc1)CC1CC1 ZINC001204640740 1049209696 /nfs/dbraw/zinc/20/96/96/1049209696.db2.gz TWJDLWIGWFAWSQ-UHFFFAOYSA-N 1 0 317.476 4.433 20 30 DIEDRO CC(C)(CC1CCCCCC1)[NH2+]C[C@H](O)c1cccc(C#N)c1 ZINC001193474076 1049213254 /nfs/dbraw/zinc/21/32/54/1049213254.db2.gz UJAYSQYDCFRYDY-IBGZPJMESA-N 1 0 314.473 4.320 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OC)c(OC2CC2)c1)c1ccncc1 ZINC000858139028 1049222523 /nfs/dbraw/zinc/22/25/23/1049222523.db2.gz NTCSBZQYPAOWKS-GOSISDBHSA-N 1 0 324.424 4.038 20 30 DIEDRO C=C(C)[C@H](NC[C@@H]1CCCC[N@H+]1C(C)C)c1ccc(F)c(F)c1 ZINC001193573934 1049225695 /nfs/dbraw/zinc/22/56/95/1049225695.db2.gz CSETZRBSKKEWBE-LPHOPBHVSA-N 1 0 322.443 4.435 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000858206305 1049227269 /nfs/dbraw/zinc/22/72/69/1049227269.db2.gz OFGKUNVNNJYALR-UHFFFAOYSA-N 1 0 319.449 4.121 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)o2)c(C)n1-c1cccc(C)c1 ZINC000858293042 1049237557 /nfs/dbraw/zinc/23/75/57/1049237557.db2.gz INCQWLAEVAWWEY-UHFFFAOYSA-N 1 0 319.408 4.157 20 30 DIEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC001193647918 1049238268 /nfs/dbraw/zinc/23/82/68/1049238268.db2.gz BQROUCPYEHJGNG-XHBSWPGZSA-N 1 0 321.262 4.235 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccns2)cc1Cl ZINC000858316715 1049239025 /nfs/dbraw/zinc/23/90/25/1049239025.db2.gz IRCVSTCFHBEMTO-LLVKDONJSA-N 1 0 308.834 4.212 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]CCCCC2(C#N)CCC2)C1(CC)CC ZINC001193659072 1049242196 /nfs/dbraw/zinc/24/21/96/1049242196.db2.gz BQSIOJDDJDWLAH-IRXDYDNUSA-N 1 0 306.494 4.424 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC001193695151 1049246677 /nfs/dbraw/zinc/24/66/77/1049246677.db2.gz RMZCLFZCPXXTJX-ZIAGYGMSSA-N 1 0 303.833 4.471 20 30 DIEDRO CC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000858377186 1049249720 /nfs/dbraw/zinc/24/97/20/1049249720.db2.gz VRYRRWFUJMURRW-LJQANCHMSA-N 1 0 308.425 4.090 20 30 DIEDRO C=CCCC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC001205639981 1049249878 /nfs/dbraw/zinc/24/98/78/1049249878.db2.gz RNKNKFXSCSUEQG-NSHDSACASA-N 1 0 300.215 4.075 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001193762416 1049258675 /nfs/dbraw/zinc/25/86/75/1049258675.db2.gz OSSLAJGVEOXXQP-SFHVURJKSA-N 1 0 312.498 4.194 20 30 DIEDRO C=CC[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000668493367 1049259941 /nfs/dbraw/zinc/25/99/41/1049259941.db2.gz NKMKCSFMKRHIGD-INIZCTEOSA-N 1 0 309.413 4.057 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1OCC(F)F)C1CCCCC1 ZINC001180029580 1049261413 /nfs/dbraw/zinc/26/14/13/1049261413.db2.gz CHLOWRNMQPTWCO-UHFFFAOYSA-N 1 0 307.384 4.098 20 30 DIEDRO C=CCCCCC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001193849878 1049274371 /nfs/dbraw/zinc/27/43/71/1049274371.db2.gz UMQLEHGEDMFFSZ-UHFFFAOYSA-N 1 0 316.464 4.399 20 30 DIEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccc(C)c(F)c2)CCCC1(C)C ZINC001193920070 1049281311 /nfs/dbraw/zinc/28/13/11/1049281311.db2.gz JCNWOXWBAOSDOJ-KRWDZBQOSA-N 1 0 318.436 4.139 20 30 DIEDRO Cc1cc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)ccc1C#N ZINC001180136527 1049281328 /nfs/dbraw/zinc/28/13/28/1049281328.db2.gz FIRUQXGBNNEISK-UHFFFAOYSA-N 1 0 308.425 4.286 20 30 DIEDRO C=CC[C@H]1[N@@H+](CCC(=O)NCC2CCCCC2)CCCC1(C)C ZINC001193921117 1049282940 /nfs/dbraw/zinc/28/29/40/1049282940.db2.gz UNEVRHWHGHSYAJ-GOSISDBHSA-N 1 0 320.521 4.140 20 30 DIEDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC001180097979 1049285784 /nfs/dbraw/zinc/28/57/84/1049285784.db2.gz IEHUEPBNVZQBEZ-MRXNPFEDSA-N 1 0 304.437 4.435 20 30 DIEDRO C#CCCCCCC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC001193990271 1049294855 /nfs/dbraw/zinc/29/48/55/1049294855.db2.gz MSMOGXQCWPFKIY-UHFFFAOYSA-N 1 0 303.421 4.005 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204887046 1049297943 /nfs/dbraw/zinc/29/79/43/1049297943.db2.gz SENYCEVADAPFTE-XYYAHUGASA-N 1 0 312.310 4.111 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC001180161765 1049301807 /nfs/dbraw/zinc/30/18/07/1049301807.db2.gz PJPPVLOMVUJIRL-ZDUSSCGKSA-N 1 0 311.816 4.332 20 30 DIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cncc2ccccc21 ZINC001204898583 1049303652 /nfs/dbraw/zinc/30/36/52/1049303652.db2.gz JCYIAAJXGYPCCQ-UHFFFAOYSA-N 1 0 302.421 4.466 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCC(C)(C)C1 ZINC001194042215 1049306269 /nfs/dbraw/zinc/30/62/69/1049306269.db2.gz OSJLXMKHCJOJGS-CQSZACIVSA-N 1 0 308.372 4.170 20 30 DIEDRO C#CC[N@@H+](CC)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC001204900213 1049306599 /nfs/dbraw/zinc/30/65/99/1049306599.db2.gz YMNYQNDFWFYIFF-UHFFFAOYSA-N 1 0 307.441 4.120 20 30 DIEDRO C=CC[N@@H+](C[C@@H]1C[C@]1(C)Br)CC1CCCCC1 ZINC001204923793 1049311744 /nfs/dbraw/zinc/31/17/44/1049311744.db2.gz PVBJWKKJACANMF-GJZGRUSLSA-N 1 0 300.284 4.228 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)CC1CCCCC1 ZINC001204924140 1049312785 /nfs/dbraw/zinc/31/27/85/1049312785.db2.gz RXQYMQUECXTCTO-UHFFFAOYSA-N 1 0 315.505 4.495 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC001204941354 1049318337 /nfs/dbraw/zinc/31/83/37/1049318337.db2.gz IRDUYGVPVFITBE-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Cc3ccc(C)cc3)CC2)cc1 ZINC001204952630 1049322718 /nfs/dbraw/zinc/32/27/18/1049322718.db2.gz HYCXFCXEGHZDDJ-UHFFFAOYSA-N 1 0 303.449 4.431 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CCC(CC)(CC)C1 ZINC001180267070 1049324744 /nfs/dbraw/zinc/32/47/44/1049324744.db2.gz NALGBAGKZDKODY-UHFFFAOYSA-N 1 0 305.849 4.364 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)[C@@H](C)[C@H]1OC ZINC001194090203 1049324894 /nfs/dbraw/zinc/32/48/94/1049324894.db2.gz DTRQFKPPMBHGAP-ATZDWAIDSA-N 1 0 314.473 4.104 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)cc1C#N ZINC000859360396 1049330097 /nfs/dbraw/zinc/33/00/97/1049330097.db2.gz GYIYZFSPDDAGOW-OAHLLOKOSA-N 1 0 306.409 4.043 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001180281242 1049333306 /nfs/dbraw/zinc/33/33/06/1049333306.db2.gz ZTZAYJOLDUUKPM-RHSMWYFYSA-N 1 0 303.833 4.117 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1COC2(CCC(C)CC2)O1 ZINC001204992652 1049333559 /nfs/dbraw/zinc/33/35/59/1049333559.db2.gz JQYBBFVMZNCRFY-YBXZHIRMSA-N 1 0 309.494 4.423 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001180281241 1049334681 /nfs/dbraw/zinc/33/46/81/1049334681.db2.gz ZTZAYJOLDUUKPM-PBHICJAKSA-N 1 0 303.833 4.117 20 30 DIEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1cc(C#N)cs1 ZINC000093492432 1049336333 /nfs/dbraw/zinc/33/63/33/1049336333.db2.gz SPACULDYUIBLDZ-HNNXBMFYSA-N 1 0 300.427 4.325 20 30 DIEDRO C#CC[N@@H+](CCc1ccc(C)c(C)c1)[C@H]1CCc2ccccc21 ZINC001180296747 1049340037 /nfs/dbraw/zinc/34/00/37/1049340037.db2.gz LBOIIHWRSAPDTD-QFIPXVFZSA-N 1 0 303.449 4.469 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cnn(-c2ccccc2C)c1 ZINC001180339832 1049340386 /nfs/dbraw/zinc/34/03/86/1049340386.db2.gz RBBURDIFWZLGHL-UHFFFAOYSA-N 1 0 321.424 4.004 20 30 DIEDRO C=CCCC[N@@H+](CCCNC(=O)OC(C)(C)C)CC1CCCC1 ZINC001194213101 1049342506 /nfs/dbraw/zinc/34/25/06/1049342506.db2.gz MBBUDSJJRGOJSU-UHFFFAOYSA-N 1 0 324.509 4.360 20 30 DIEDRO C#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC001180359371 1049342896 /nfs/dbraw/zinc/34/28/96/1049342896.db2.gz JMKFTWCOOYPAMY-UHFFFAOYSA-N 1 0 301.389 4.463 20 30 DIEDRO C[C@@H]1Cc2cc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)ccc2O1 ZINC001180323341 1049343975 /nfs/dbraw/zinc/34/39/75/1049343975.db2.gz ZVOVTSVBEUWIRR-OAHLLOKOSA-N 1 0 318.420 4.046 20 30 DIEDRO C[C@H]1Cc2cc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)ccc2O1 ZINC001180323340 1049344967 /nfs/dbraw/zinc/34/49/67/1049344967.db2.gz ZVOVTSVBEUWIRR-HNNXBMFYSA-N 1 0 318.420 4.046 20 30 DIEDRO C=CC[N@H+](C/C=C\c1ccc(F)cc1F)CCc1ccco1 ZINC001180331804 1049346719 /nfs/dbraw/zinc/34/67/19/1049346719.db2.gz JSNTWVBDLCFCEO-HYXAFXHYSA-N 1 0 303.352 4.302 20 30 DIEDRO CCN(CC)c1ccc(C[N@H+](C)CC#Cc2ccccc2)cc1 ZINC001205024111 1049346927 /nfs/dbraw/zinc/34/69/27/1049346927.db2.gz RDBLYFIESBNZQS-UHFFFAOYSA-N 1 0 306.453 4.016 20 30 DIEDRO COCc1c(C)cc(C)c(C[N@H+](CCC#N)CC(C)C)c1C ZINC001180403767 1049351509 /nfs/dbraw/zinc/35/15/09/1049351509.db2.gz MNXXCDAZOBOEHD-UHFFFAOYSA-N 1 0 302.462 4.130 20 30 DIEDRO CCC[C@@]1([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCOC1 ZINC001194268928 1049354255 /nfs/dbraw/zinc/35/42/55/1049354255.db2.gz KZOWOUYCWAXTOR-OAQYLSRUSA-N 1 0 320.436 4.274 20 30 DIEDRO C=C(Cl)C[NH2+][C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC001194306182 1049354347 /nfs/dbraw/zinc/35/43/47/1049354347.db2.gz GJRRIWZJYHRZDB-ZDUSSCGKSA-N 1 0 308.636 4.413 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860136864 1049369559 /nfs/dbraw/zinc/36/95/59/1049369559.db2.gz BMEVXXJKZJRMAQ-JXFKEZNVSA-N 1 0 317.473 4.185 20 30 DIEDRO Cc1cccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1C ZINC001205103742 1049378092 /nfs/dbraw/zinc/37/80/92/1049378092.db2.gz PJOTVKHDLZKPOJ-UHFFFAOYSA-N 1 0 322.427 4.500 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)ccc1C#N ZINC001180592706 1049389403 /nfs/dbraw/zinc/38/94/03/1049389403.db2.gz IHHIHFYOPZKQQT-OAQYLSRUSA-N 1 0 320.436 4.164 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC001180686204 1049398671 /nfs/dbraw/zinc/39/86/71/1049398671.db2.gz COTIXBPXEXICSN-HNNXBMFYSA-N 1 0 312.498 4.404 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(N(C)C)cc1C ZINC001205161887 1049398791 /nfs/dbraw/zinc/39/87/91/1049398791.db2.gz JGSRBKIMIIODSJ-UHFFFAOYSA-N 1 0 300.471 4.311 20 30 DIEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC001194675279 1049410415 /nfs/dbraw/zinc/41/04/15/1049410415.db2.gz PHIUJUVBMNBTHU-OAHLLOKOSA-N 1 0 308.263 4.422 20 30 DIEDRO C=C(C)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC001194675277 1049411205 /nfs/dbraw/zinc/41/12/05/1049411205.db2.gz PHIUJUVBMNBTHU-HNNXBMFYSA-N 1 0 308.263 4.422 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC001205225559 1049412948 /nfs/dbraw/zinc/41/29/48/1049412948.db2.gz ZAPJDCYDCRYADS-LJQANCHMSA-N 1 0 315.457 4.424 20 30 DIEDRO CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[C@@H](C)C1 ZINC001194715564 1049421005 /nfs/dbraw/zinc/42/10/05/1049421005.db2.gz RNALCGHZBJMFOK-UXPWSPDFSA-N 1 0 314.473 4.272 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001194792488 1049424935 /nfs/dbraw/zinc/42/49/35/1049424935.db2.gz SYRPOIUYDHXTTM-IBGZPJMESA-N 1 0 311.400 4.269 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2(c3cccc(OC)c3)CC2)cc1 ZINC000777157575 1049430321 /nfs/dbraw/zinc/43/03/21/1049430321.db2.gz UZCGJEHZQDTWDS-MRXNPFEDSA-N 1 0 321.420 4.047 20 30 DIEDRO C=CCCCC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001181044590 1049431625 /nfs/dbraw/zinc/43/16/25/1049431625.db2.gz VXFCTIKSWLDMMP-UHFFFAOYSA-N 1 0 322.493 4.112 20 30 DIEDRO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000775613174 1049437070 /nfs/dbraw/zinc/43/70/70/1049437070.db2.gz KXYSUPULRAEJMC-SFHVURJKSA-N 1 0 301.455 4.250 20 30 DIEDRO CCCCCCCCCOC(=O)N[C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001194923827 1049449641 /nfs/dbraw/zinc/44/96/41/1049449641.db2.gz VFSAMCMTAZLBLB-CALCHBBNSA-N 1 0 312.498 4.336 20 30 DIEDRO N#Cc1csc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000093492213 1049450079 /nfs/dbraw/zinc/45/00/79/1049450079.db2.gz DGSXOQMKXFBLDB-CQSZACIVSA-N 1 0 304.415 4.086 20 30 DIEDRO CCCCCCCCCCOC(=O)NC1CC[NH+](C2CC2)CC1 ZINC001194929042 1049450473 /nfs/dbraw/zinc/45/04/73/1049450473.db2.gz MMOCAFDEUTYWKT-UHFFFAOYSA-N 1 0 324.509 4.480 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC001195015144 1049457482 /nfs/dbraw/zinc/45/74/82/1049457482.db2.gz SOBJFFUKSZSTJE-KRWDZBQOSA-N 1 0 307.441 4.071 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000486768315 1049467371 /nfs/dbraw/zinc/46/73/71/1049467371.db2.gz BXHHBRJPVIOUHU-ROUUACIJSA-N 1 0 314.498 4.348 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001205434483 1049468600 /nfs/dbraw/zinc/46/86/00/1049468600.db2.gz NVXDOTNNKRSRNX-AMVTXUCVSA-N 1 0 321.411 4.377 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)c(C)c1 ZINC000486790039 1049471862 /nfs/dbraw/zinc/47/18/62/1049471862.db2.gz WFUUMTSQYWOCOH-UHFFFAOYSA-N 1 0 303.409 4.151 20 30 DIEDRO C=CCCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486833783 1049478928 /nfs/dbraw/zinc/47/89/28/1049478928.db2.gz QKNMAMBPBBZMEK-YLJYHZDGSA-N 1 0 323.440 4.056 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001181435268 1049481818 /nfs/dbraw/zinc/48/18/18/1049481818.db2.gz BERJLWQGLYGSIC-QFUCXCTJSA-N 1 0 324.468 4.121 20 30 DIEDRO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC001181435205 1049481850 /nfs/dbraw/zinc/48/18/50/1049481850.db2.gz AOFRLEQWJTWXBT-HRAATJIYSA-N 1 0 304.437 4.465 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001181435262 1049482091 /nfs/dbraw/zinc/48/20/91/1049482091.db2.gz BERJLWQGLYGSIC-CUWPLCDZSA-N 1 0 324.468 4.121 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001181436353 1049482444 /nfs/dbraw/zinc/48/24/44/1049482444.db2.gz PYLONHSLPFMRAH-OXJNMPFZSA-N 1 0 322.839 4.346 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001181436355 1049482701 /nfs/dbraw/zinc/48/27/01/1049482701.db2.gz PYLONHSLPFMRAH-UZLBHIALSA-N 1 0 322.839 4.346 20 30 DIEDRO C#CCCCCCC[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC001205488930 1049483138 /nfs/dbraw/zinc/48/31/38/1049483138.db2.gz FISMLFXASZOMMF-UHFFFAOYSA-N 1 0 300.421 4.033 20 30 DIEDRO C#C[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)c1ccc(Cl)cc1F ZINC000862365043 1049489886 /nfs/dbraw/zinc/48/98/86/1049489886.db2.gz KPQXVLWWHNTVFF-YMTOWFKASA-N 1 0 301.739 4.177 20 30 DIEDRO C#C[C@@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)C(C)C ZINC001181578293 1049492213 /nfs/dbraw/zinc/49/22/13/1049492213.db2.gz ZETMORNXMPHGEX-OAHLLOKOSA-N 1 0 304.846 4.211 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001181602648 1049493145 /nfs/dbraw/zinc/49/31/45/1049493145.db2.gz VMTPSLQJRMUVGB-BDTNDASRSA-N 1 0 301.433 4.306 20 30 DIEDRO C(#Cc1ccccc1)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001181602651 1049493372 /nfs/dbraw/zinc/49/33/72/1049493372.db2.gz VMTPSLQJRMUVGB-YPAWHYETSA-N 1 0 301.433 4.306 20 30 DIEDRO C=CCOc1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)cc1 ZINC001204303432 1049501204 /nfs/dbraw/zinc/50/12/04/1049501204.db2.gz HFHBIPOEEBEGHX-KRWDZBQOSA-N 1 0 303.421 4.356 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC001181674232 1049503290 /nfs/dbraw/zinc/50/32/90/1049503290.db2.gz OTVACIGGTBRSJJ-GFCCVEGCSA-N 1 0 310.388 4.040 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)[C@@H]1CC1(C)C ZINC001195268468 1049504452 /nfs/dbraw/zinc/50/44/52/1049504452.db2.gz FHDBCNTXHGUPKD-DZGCQCFKSA-N 1 0 321.262 4.235 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC001195271097 1049506566 /nfs/dbraw/zinc/50/65/66/1049506566.db2.gz ZSQZHPOHSFCOLE-UHFFFAOYSA-N 1 0 322.493 4.208 20 30 DIEDRO C(#CC1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1)c1ccccc1 ZINC001205606048 1049508416 /nfs/dbraw/zinc/50/84/16/1049508416.db2.gz LHWQUVCGYJAMFQ-UHFFFAOYSA-N 1 0 314.432 4.432 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCCC[C@H]1CC ZINC001181697602 1049508926 /nfs/dbraw/zinc/50/89/26/1049508926.db2.gz LKGWXSBUXMLCNB-IAGOWNOFSA-N 1 0 305.462 4.366 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CCc1cccnc1)c1ccc(Cl)cc1F ZINC001181697779 1049510962 /nfs/dbraw/zinc/51/09/62/1049510962.db2.gz NLPZNNKRUVBIDP-UGSOOPFHSA-N 1 0 316.807 4.159 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CCCCC1 ZINC001195357808 1049517414 /nfs/dbraw/zinc/51/74/14/1049517414.db2.gz ICSCUTKVDUIIPZ-LBPRGKRZSA-N 1 0 308.372 4.218 20 30 DIEDRO CCC#C[C@H](C)[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC001195334756 1049520960 /nfs/dbraw/zinc/52/09/60/1049520960.db2.gz WHDSGOBJBYFPAE-AWEZNQCLSA-N 1 0 302.487 4.003 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc(C)ccc1OC(F)F)c1ccccc1 ZINC000794463615 1049521771 /nfs/dbraw/zinc/52/17/71/1049521771.db2.gz WFFYXVLSGYPJQP-QGZVFWFLSA-N 1 0 315.363 4.451 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)cc1F ZINC001181808610 1049522656 /nfs/dbraw/zinc/52/26/56/1049522656.db2.gz OTXMMSSAYIYAOP-UHFFFAOYSA-N 1 0 314.791 4.216 20 30 DIEDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000775651900 1049524468 /nfs/dbraw/zinc/52/44/68/1049524468.db2.gz BQNLYJSDJMNMHX-CQSZACIVSA-N 1 0 324.424 4.053 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000119259996 1049530613 /nfs/dbraw/zinc/53/06/13/1049530613.db2.gz CMKDTEWXYLDCRO-GOEBONIOSA-N 1 0 323.864 4.426 20 30 DIEDRO C#CCC1([NH2+]Cc2cccc(OCCCC#N)c2)CCCCC1 ZINC001203809405 1049535469 /nfs/dbraw/zinc/53/54/69/1049535469.db2.gz GPPHRYJCRJNFNA-UHFFFAOYSA-N 1 0 310.441 4.185 20 30 DIEDRO CCCCCCCC[N@@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC001195475427 1049535484 /nfs/dbraw/zinc/53/54/84/1049535484.db2.gz AIUIGMWGAAQKGU-UHFFFAOYSA-N 1 0 303.446 4.192 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)cc1 ZINC001181879808 1049537978 /nfs/dbraw/zinc/53/79/78/1049537978.db2.gz JKKCVNKADXYIMS-VQTJNVASSA-N 1 0 304.437 4.187 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1)C(C)C ZINC001205714148 1049541085 /nfs/dbraw/zinc/54/10/85/1049541085.db2.gz TWKKCVSNRZFRDR-RRQGHBQHSA-N 1 0 309.375 4.378 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001181901875 1049542097 /nfs/dbraw/zinc/54/20/97/1049542097.db2.gz WRQVJTOAWRTCBK-MAZHCROVSA-N 1 0 313.363 4.132 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CC#Cc3cccc(Cl)c3)CCC2)cc1 ZINC001195560185 1049543475 /nfs/dbraw/zinc/54/34/75/1049543475.db2.gz YYZVYLJQQRINNS-UHFFFAOYSA-N 1 0 320.823 4.232 20 30 DIEDRO CCCN(C)[C@H](C[NH2+]C[C@@H](C)CCC#N)c1ccc(Cl)cc1 ZINC001205758669 1049557461 /nfs/dbraw/zinc/55/74/61/1049557461.db2.gz TTYTVKKJYXSVHC-MAUKXSAKSA-N 1 0 321.896 4.252 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C/C=C\c1ccncc1)c1ccc(F)c(F)c1 ZINC000487577915 1049561942 /nfs/dbraw/zinc/56/19/42/1049561942.db2.gz WTTOXCZUSKKZGX-DDKKJVIOSA-N 1 0 300.352 4.280 20 30 DIEDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)cc1C#N ZINC001195851782 1049574805 /nfs/dbraw/zinc/57/48/05/1049574805.db2.gz PCIMDINRTBRTEX-HXUWFJFHSA-N 1 0 308.400 4.169 20 30 DIEDRO C[N@@H+](Cc1cccc(C(C)(C)C)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001195876668 1049582601 /nfs/dbraw/zinc/58/26/01/1049582601.db2.gz LUUIPHFJPJNSQS-FQEVSTJZSA-N 1 0 322.452 4.021 20 30 DIEDRO N#Cc1cc(Nc2ccc(C[NH+]3CCCC3)cc2)cc(F)c1F ZINC001203816715 1049582693 /nfs/dbraw/zinc/58/26/93/1049582693.db2.gz KBBZULZVZIGLCJ-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO C[N@@H+](Cc1cccc(C(C)(C)C)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876670 1049584003 /nfs/dbraw/zinc/58/40/03/1049584003.db2.gz LUUIPHFJPJNSQS-HXUWFJFHSA-N 1 0 322.452 4.021 20 30 DIEDRO C#CCCCCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000119624080 1049591748 /nfs/dbraw/zinc/59/17/48/1049591748.db2.gz RBXZYRHPQUTIST-KRWDZBQOSA-N 1 0 312.457 4.051 20 30 DIEDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000119612215 1049592685 /nfs/dbraw/zinc/59/26/85/1049592685.db2.gz ZJUYXEPBOYTLGM-KGLIPLIRSA-N 1 0 314.454 4.068 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC001195947353 1049598772 /nfs/dbraw/zinc/59/87/72/1049598772.db2.gz SVIFSEFMXMWSDU-PBHICJAKSA-N 1 0 318.848 4.121 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001205922186 1049602829 /nfs/dbraw/zinc/60/28/29/1049602829.db2.gz CNEGMGKKNGXNJW-OAQYLSRUSA-N 1 0 319.452 4.026 20 30 DIEDRO Cc1cccc(C)c1OCCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC001196040426 1049609540 /nfs/dbraw/zinc/60/95/40/1049609540.db2.gz WLWRYLPUPHGXAD-UHFFFAOYSA-N 1 0 322.452 4.469 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001205974141 1049614738 /nfs/dbraw/zinc/61/47/38/1049614738.db2.gz MGIJXRUKAXVHNR-SCLBCKFNSA-N 1 0 301.792 4.374 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC001205980526 1049616424 /nfs/dbraw/zinc/61/64/24/1049616424.db2.gz NMRNRBFRIGZVEY-ZDUSSCGKSA-N 1 0 308.853 4.249 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001205980589 1049616620 /nfs/dbraw/zinc/61/66/20/1049616620.db2.gz PWHJLOJPQHZEIQ-HNNXBMFYSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000774187647 1049618885 /nfs/dbraw/zinc/61/88/85/1049618885.db2.gz GJKKSYOZIASAFI-OALUTQOASA-N 1 0 323.396 4.274 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CC1CCC1)c1ccc(Br)cc1 ZINC001205987982 1049621458 /nfs/dbraw/zinc/62/14/58/1049621458.db2.gz BXEVXEVRBMHXAD-LRDDRELGSA-N 1 0 306.247 4.292 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC001205999368 1049624475 /nfs/dbraw/zinc/62/44/75/1049624475.db2.gz XPGYOOYJICFNMZ-CLCXKQKWSA-N 1 0 308.400 4.464 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1nc2ccccc2nc1C ZINC001182327006 1049626238 /nfs/dbraw/zinc/62/62/38/1049626238.db2.gz NSUUTTUPWBCNIB-SFHVURJKSA-N 1 0 317.436 4.215 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(C#N)cc1 ZINC000774185563 1049628993 /nfs/dbraw/zinc/62/89/93/1049628993.db2.gz CDZQIMSMODLYBV-FQEVSTJZSA-N 1 0 307.441 4.174 20 30 DIEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC001196263867 1049634904 /nfs/dbraw/zinc/63/49/04/1049634904.db2.gz SYHYIPNYLRSEFT-PHTAMDTFSA-N 1 0 308.347 4.340 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000570122209 1049636852 /nfs/dbraw/zinc/63/68/52/1049636852.db2.gz GUSATUNVUFSAKL-PVUWLOKVSA-N 1 0 300.402 4.258 20 30 DIEDRO CC[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000774270944 1049641385 /nfs/dbraw/zinc/64/13/85/1049641385.db2.gz RMIPUNZWMWYFKF-PMACEKPBSA-N 1 0 320.436 4.113 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(Br)ccc1F ZINC001206056805 1049642627 /nfs/dbraw/zinc/64/26/27/1049642627.db2.gz UNLDQRFFIGUIHB-ZDUSSCGKSA-N 1 0 300.215 4.423 20 30 DIEDRO CCCCC[C@H]1CCCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001196330439 1049643724 /nfs/dbraw/zinc/64/37/24/1049643724.db2.gz YFGKGQDIINYERH-SFHVURJKSA-N 1 0 300.446 4.372 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000119933167 1049644144 /nfs/dbraw/zinc/64/41/44/1049644144.db2.gz HWRZPJUXQZTSOT-HNNXBMFYSA-N 1 0 312.438 4.227 20 30 DIEDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000794604597 1049648493 /nfs/dbraw/zinc/64/84/93/1049648493.db2.gz PAIPXZSJPRUACW-GOEBONIOSA-N 1 0 324.877 4.006 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(NCCC)cc2)cc1 ZINC000774386448 1049650318 /nfs/dbraw/zinc/65/03/18/1049650318.db2.gz XJHRUAFOJPNRKF-QGZVFWFLSA-N 1 0 322.452 4.371 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001206094643 1049651550 /nfs/dbraw/zinc/65/15/50/1049651550.db2.gz SFQJYFMTFLOXKJ-UHFFFAOYSA-N 1 0 324.211 4.152 20 30 DIEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(F)(F)CC1 ZINC000794685509 1049654315 /nfs/dbraw/zinc/65/43/15/1049654315.db2.gz IMHMOBUSSUFAAN-UHFFFAOYSA-N 1 0 323.412 4.003 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000488447997 1049657355 /nfs/dbraw/zinc/65/73/55/1049657355.db2.gz YJUFUYKBUYBIBJ-IBGZPJMESA-N 1 0 315.436 4.327 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000488447999 1049658187 /nfs/dbraw/zinc/65/81/87/1049658187.db2.gz YJUFUYKBUYBIBJ-LJQANCHMSA-N 1 0 315.436 4.327 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000774447334 1049664445 /nfs/dbraw/zinc/66/44/45/1049664445.db2.gz NMDABZKEYCIRSK-VIFPVBQESA-N 1 0 305.274 4.145 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc(F)c(F)c1 ZINC000775723795 1049667487 /nfs/dbraw/zinc/66/74/87/1049667487.db2.gz NJURNNNUWCIYJY-GWCFXTLKSA-N 1 0 306.183 4.365 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC001196562557 1049673190 /nfs/dbraw/zinc/67/31/90/1049673190.db2.gz BFKLVMVKDKLJIB-OAHLLOKOSA-N 1 0 319.436 4.257 20 30 DIEDRO CC(C)[C@@H]1[N@H+](Cc2ccc(C#N)cc2F)CC12CCCCC2 ZINC001206215815 1049684207 /nfs/dbraw/zinc/68/42/07/1049684207.db2.gz QRWCNCZPRPEWNP-SFHVURJKSA-N 1 0 300.421 4.488 20 30 DIEDRO C=C(C)CN(CC)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000488619232 1049684542 /nfs/dbraw/zinc/68/45/42/1049684542.db2.gz RMHDSFKXGOFUGH-LBPRGKRZSA-N 1 0 305.809 4.349 20 30 DIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@@H]1Oc1ccccc1 ZINC001182575285 1049687413 /nfs/dbraw/zinc/68/74/13/1049687413.db2.gz YJLVUJBAYSRJSB-UXHICEINSA-N 1 0 320.436 4.088 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC001182574285 1049687748 /nfs/dbraw/zinc/68/77/48/1049687748.db2.gz MJJVAZCQMHWHHI-SFTDATJTSA-N 1 0 304.437 4.353 20 30 DIEDRO CC1(C)CCC(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)CC1 ZINC001196788568 1049688398 /nfs/dbraw/zinc/68/83/98/1049688398.db2.gz CSKMKJPYWKXPLF-HXUWFJFHSA-N 1 0 311.473 4.155 20 30 DIEDRO C[NH+](C)CCCO[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC001206294694 1049702971 /nfs/dbraw/zinc/70/29/71/1049702971.db2.gz AHYNGESFIKSNMR-LJQANCHMSA-N 1 0 310.397 4.012 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001196898889 1049702992 /nfs/dbraw/zinc/70/29/92/1049702992.db2.gz IMGXEAKENLBXHO-DOVSJBTNSA-N 1 0 302.421 4.355 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(C(=O)OC)sc2C)CCCCC1 ZINC001196953563 1049709222 /nfs/dbraw/zinc/70/92/22/1049709222.db2.gz YAOUYYDMSAIRRJ-UHFFFAOYSA-N 1 0 307.459 4.212 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC001182765202 1049713259 /nfs/dbraw/zinc/71/32/59/1049713259.db2.gz RHEPLGYAUOCPFA-HXUWFJFHSA-N 1 0 307.412 4.404 20 30 DIEDRO C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC001206328279 1049714100 /nfs/dbraw/zinc/71/41/00/1049714100.db2.gz IPHKBFDJPFGNIS-LIMHQNJXSA-N 1 0 312.457 4.246 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](Cc2cccnc2)C2CCCC2)cc1C#N ZINC001197193961 1049726414 /nfs/dbraw/zinc/72/64/14/1049726414.db2.gz HYRIONUJVHBKTH-OAQYLSRUSA-N 1 0 319.452 4.153 20 30 DIEDRO C=CCCC[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197212985 1049728710 /nfs/dbraw/zinc/72/87/10/1049728710.db2.gz ZGEMENPTCUYAND-IBGZPJMESA-N 1 0 324.509 4.216 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(COc3ccccc3)c2)CC1 ZINC001206410639 1049729001 /nfs/dbraw/zinc/72/90/01/1049729001.db2.gz SGVFAJUYUPALRQ-UHFFFAOYSA-N 1 0 305.421 4.111 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC001206409183 1049729202 /nfs/dbraw/zinc/72/92/02/1049729202.db2.gz JWNBTSQLOIDSIX-GOSISDBHSA-N 1 0 319.452 4.085 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)c(C)s2)C1 ZINC001206408446 1049729450 /nfs/dbraw/zinc/72/94/50/1049729450.db2.gz AFJUVUMQUWYJDU-GFCCVEGCSA-N 1 0 312.276 4.054 20 30 DIEDRO N#CC1(CCCC[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CCC1 ZINC001197264750 1049732889 /nfs/dbraw/zinc/73/28/89/1049732889.db2.gz NLNYGAXVCVGDQV-LJQANCHMSA-N 1 0 323.484 4.335 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000489599269 1049770167 /nfs/dbraw/zinc/77/01/67/1049770167.db2.gz SRMXVDXATGFUFC-LJQANCHMSA-N 1 0 312.363 4.044 20 30 DIEDRO COc1cc(C)ccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001206742025 1049789618 /nfs/dbraw/zinc/78/96/18/1049789618.db2.gz VBXAEZSEYKQWEW-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000490037069 1049796162 /nfs/dbraw/zinc/79/61/62/1049796162.db2.gz HXRBGZQLONUGBX-GOSISDBHSA-N 1 0 314.816 4.031 20 30 DIEDRO C=CC[N@@H+](Cc1c(C)nn(C(=O)OC(C)(C)C)c1C)C(C)(C)C ZINC001206816542 1049806244 /nfs/dbraw/zinc/80/62/44/1049806244.db2.gz NZBFSZXAYPRUAT-UHFFFAOYSA-N 1 0 321.465 4.070 20 30 DIEDRO N#CCc1cccc2c1CC[N@H+](Cc1coc3ccccc13)C2 ZINC001207009002 1049821591 /nfs/dbraw/zinc/82/15/91/1049821591.db2.gz RCEUNYMAMCBELS-UHFFFAOYSA-N 1 0 302.377 4.057 20 30 DIEDRO CCC[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)C1CCC1 ZINC001207036330 1049822739 /nfs/dbraw/zinc/82/27/39/1049822739.db2.gz XMERUBZONLPEKR-LJQANCHMSA-N 1 0 311.473 4.085 20 30 DIEDRO CCCC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001207034760 1049823146 /nfs/dbraw/zinc/82/31/46/1049823146.db2.gz JXZNLNSJASKKBS-SJORKVTESA-N 1 0 313.489 4.331 20 30 DIEDRO CC(C)(C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000490428092 1049827890 /nfs/dbraw/zinc/82/78/90/1049827890.db2.gz CMJIESLAYQPOKY-RDJZCZTQSA-N 1 0 315.461 4.069 20 30 DIEDRO CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]CC#Cc1ccccc1 ZINC001207067829 1049830248 /nfs/dbraw/zinc/83/02/48/1049830248.db2.gz ZSNKPDXBWSNCDL-FQEVSTJZSA-N 1 0 316.448 4.141 20 30 DIEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490436898 1049832385 /nfs/dbraw/zinc/83/23/85/1049832385.db2.gz UIXKBWABCFSIAK-LJQANCHMSA-N 1 0 322.456 4.113 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)CC2 ZINC001207179183 1049849350 /nfs/dbraw/zinc/84/93/50/1049849350.db2.gz BLGNGOZNJDKYHQ-ICSRJNTNSA-N 1 0 322.839 4.373 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCC2)C1 ZINC001207176146 1049850152 /nfs/dbraw/zinc/85/01/52/1049850152.db2.gz YIQKTYDENIFFME-WMLDXEAASA-N 1 0 302.849 4.434 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCC2)C1 ZINC001207176148 1049850954 /nfs/dbraw/zinc/85/09/54/1049850954.db2.gz YIQKTYDENIFFME-YOEHRIQHSA-N 1 0 302.849 4.434 20 30 DIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001207184749 1049854533 /nfs/dbraw/zinc/85/45/33/1049854533.db2.gz GELROPOCAYDBIV-PKOBYXMFSA-N 1 0 310.828 4.447 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207194664 1049858635 /nfs/dbraw/zinc/85/86/35/1049858635.db2.gz YNXSKHXHSDRVIG-FOJZWHKLSA-N 1 0 300.833 4.210 20 30 DIEDRO N#Cc1ccccc1OC1CC[NH+](CCC2CCCCC2)CC1 ZINC001207261236 1049871602 /nfs/dbraw/zinc/87/16/02/1049871602.db2.gz OXDPHLNOAYGIGN-UHFFFAOYSA-N 1 0 312.457 4.372 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CC(c2ccc(C)c(C)c2)=NO1 ZINC001207391112 1049886158 /nfs/dbraw/zinc/88/61/58/1049886158.db2.gz FMSGZOXMBHRVAR-ZWKOTPCHSA-N 1 0 300.446 4.131 20 30 DIEDRO CCC[N@H+](CCC#N)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207408612 1049888843 /nfs/dbraw/zinc/88/88/43/1049888843.db2.gz ZRVBFVOGOMTXPK-SFHVURJKSA-N 1 0 306.494 4.280 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@@H](C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC001207415038 1049890385 /nfs/dbraw/zinc/89/03/85/1049890385.db2.gz XPKZQRUHXGAGMK-GOSISDBHSA-N 1 0 318.505 4.280 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@H](C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC001207415039 1049890529 /nfs/dbraw/zinc/89/05/29/1049890529.db2.gz XPKZQRUHXGAGMK-SFHVURJKSA-N 1 0 318.505 4.280 20 30 DIEDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586779759 1049898630 /nfs/dbraw/zinc/89/86/30/1049898630.db2.gz ZAKLCGQILRPVJP-APWZRJJASA-N 1 0 314.473 4.003 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1C#N ZINC001207535712 1049906171 /nfs/dbraw/zinc/90/61/71/1049906171.db2.gz LMVXMXLNJIJNRZ-RDJZCZTQSA-N 1 0 300.471 4.339 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)c(F)c1 ZINC000187770875 1049910868 /nfs/dbraw/zinc/91/08/68/1049910868.db2.gz IYQRHSGBQVDTNB-ZWKOTPCHSA-N 1 0 321.342 4.044 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCCC1CCCCC1)C2 ZINC001207608040 1049917029 /nfs/dbraw/zinc/91/70/29/1049917029.db2.gz MFRAOJMBXPSJRG-VQTJNVASSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CCc1cc(C[NH2+]C2(c3ccccc3)CCC2)c(O)c(OC)c1 ZINC000164228742 1049925616 /nfs/dbraw/zinc/92/56/16/1049925616.db2.gz BMXHOGFAURTBQN-UHFFFAOYSA-N 1 0 323.436 4.298 20 30 DIEDRO CCCOc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1C ZINC001207685434 1049927302 /nfs/dbraw/zinc/92/73/02/1049927302.db2.gz SHHPAWXSMRLBHS-UHFFFAOYSA-N 1 0 314.454 4.349 20 30 DIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)c1C ZINC000156505767 1049931473 /nfs/dbraw/zinc/93/14/73/1049931473.db2.gz ROSHNAIGPSNKAY-SFTDATJTSA-N 1 0 320.436 4.046 20 30 DIEDRO N#CC1(C[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)CCOCC1 ZINC001207775501 1049937995 /nfs/dbraw/zinc/93/79/95/1049937995.db2.gz QZBAIIVRHJUBRZ-ROUUACIJSA-N 1 0 304.478 4.035 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)CCOCC1 ZINC001207775500 1049938064 /nfs/dbraw/zinc/93/80/64/1049938064.db2.gz QZBAIIVRHJUBRZ-QZTJIDSGSA-N 1 0 304.478 4.035 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)CC1(C)COC1 ZINC001207799606 1049940044 /nfs/dbraw/zinc/94/00/44/1049940044.db2.gz FQJFJIGENAMFRZ-KRWDZBQOSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC2(CCOC2=O)CC1 ZINC001207899784 1049951871 /nfs/dbraw/zinc/95/18/71/1049951871.db2.gz MPNAGKJJLOHDQZ-UHFFFAOYSA-N 1 0 307.478 4.322 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(N2CCOC2=O)CC1 ZINC001207899563 1049953089 /nfs/dbraw/zinc/95/30/89/1049953089.db2.gz GJLGEGCHXQNOKM-UHFFFAOYSA-N 1 0 322.493 4.210 20 30 DIEDRO C=CCCCCCCCCC[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001207899819 1049953208 /nfs/dbraw/zinc/95/32/08/1049953208.db2.gz OCBUZPGDUPXALF-UHFFFAOYSA-N 1 0 320.477 4.072 20 30 DIEDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000156721344 1049968040 /nfs/dbraw/zinc/96/80/40/1049968040.db2.gz FLCRSVKJASWOFK-SFTDATJTSA-N 1 0 320.436 4.046 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CCCC1CCCC1)C2 ZINC001208088904 1049972969 /nfs/dbraw/zinc/97/29/69/1049972969.db2.gz VFINBQKLVYIIPH-VQTJNVASSA-N 1 0 321.505 4.031 20 30 DIEDRO CCCCCCC/C=C/C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001208120046 1049975040 /nfs/dbraw/zinc/97/50/40/1049975040.db2.gz LDIWWGMIAOASSF-HVHJFMEUSA-N 1 0 307.400 4.150 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001208119425 1049975304 /nfs/dbraw/zinc/97/53/04/1049975304.db2.gz AXRXYIXLDSOYPK-CMDGGOBGSA-N 1 0 307.400 4.292 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001208124554 1049975363 /nfs/dbraw/zinc/97/53/63/1049975363.db2.gz SIDRDQQNFWQUCM-VAWYXSNFSA-N 1 0 322.537 4.482 20 30 DIEDRO CCCCCCC/C=C/C[NH+]1CCC(N(C)C(=O)CC)CC1 ZINC001208124366 1049975392 /nfs/dbraw/zinc/97/53/92/1049975392.db2.gz NBIKPCMYVKYOBC-VAWYXSNFSA-N 1 0 308.510 4.236 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(Oc3cccnc3)CC2)CC1 ZINC001208177729 1049980762 /nfs/dbraw/zinc/98/07/62/1049980762.db2.gz XZOQBMUIOVTACY-GOSISDBHSA-N 1 0 312.457 4.227 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001208171422 1049980984 /nfs/dbraw/zinc/98/09/84/1049980984.db2.gz SOXOOJIFDJPPAC-LJQANCHMSA-N 1 0 302.506 4.239 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+](CCCCC/C=C\CC)CC2 ZINC001208189327 1049982213 /nfs/dbraw/zinc/98/22/13/1049982213.db2.gz FUMAIGHUAQYOPK-WAYWQWQTSA-N 1 0 318.505 4.156 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1 ZINC001208197249 1049984333 /nfs/dbraw/zinc/98/43/33/1049984333.db2.gz JDNYUIXJOKMIRV-UHFFFAOYSA-N 1 0 322.427 4.195 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCCCCC#N ZINC000588652624 1049989563 /nfs/dbraw/zinc/98/95/63/1049989563.db2.gz HMMYATIJHZUOKH-UHFFFAOYSA-N 1 0 313.445 4.003 20 30 DIEDRO CCCCCCC[N@H+](CC)CC1CN(C(=O)OC(C)(C)C)C1 ZINC001208621361 1049997568 /nfs/dbraw/zinc/99/75/68/1049997568.db2.gz PRLRYKKXYIGSBJ-UHFFFAOYSA-N 1 0 312.498 4.146 20 30 DIEDRO CCCCCCCC[N@H+](C)CC1CN(C(=O)OC(C)(C)C)C1 ZINC001208621351 1049997780 /nfs/dbraw/zinc/99/77/80/1049997780.db2.gz PLVXIPQDJBEFHV-UHFFFAOYSA-N 1 0 312.498 4.146 20 30 DIEDRO N#C[C@@H]1CC[C@@H](S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000572363094 1050001419 /nfs/dbraw/zinc/00/14/19/1050001419.db2.gz INLHMCOKDZZNOL-KZNAEPCWSA-N 1 0 300.471 4.076 20 30 DIEDRO C[C@@H](C[N@@H+]1CCC2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710080 1050005301 /nfs/dbraw/zinc/00/53/01/1050005301.db2.gz NSEDMYHEPGTZPK-IFXJQAMLSA-N 1 0 323.461 4.217 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](CCCc2ccc(F)cc2)CC1 ZINC001208768575 1050009902 /nfs/dbraw/zinc/00/99/02/1050009902.db2.gz RJVQDISMASZIBM-UHFFFAOYSA-N 1 0 322.427 4.316 20 30 DIEDRO CC[C@@H](C)Oc1cc(C[NH2+]CC(C)(C)CCC#N)ccc1OC ZINC000588929607 1050012645 /nfs/dbraw/zinc/01/26/45/1050012645.db2.gz ZIMXCPYYHARWHW-OAHLLOKOSA-N 1 0 318.461 4.292 20 30 DIEDRO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000588978876 1050015537 /nfs/dbraw/zinc/01/55/37/1050015537.db2.gz SXDNIXDCTQGQQX-UHFFFAOYSA-N 1 0 321.468 4.186 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001208850585 1050015912 /nfs/dbraw/zinc/01/59/12/1050015912.db2.gz FEGYXLNQFAWTRE-LJQANCHMSA-N 1 0 308.400 4.119 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(Cc3ccccc3)CCC2)cc1 ZINC000760718234 1050016664 /nfs/dbraw/zinc/01/66/64/1050016664.db2.gz OHSSABPEPPKRFG-KRWDZBQOSA-N 1 0 320.436 4.232 20 30 DIEDRO COc1ccc([C@H](C)[N@H+](C)CCCc2cccc(C#N)c2)cc1 ZINC001208850322 1050016775 /nfs/dbraw/zinc/01/67/75/1050016775.db2.gz AFHGGKWHDODHGM-INIZCTEOSA-N 1 0 308.425 4.192 20 30 DIEDRO N#Cc1cccc(CCC[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001208853498 1050017300 /nfs/dbraw/zinc/01/73/00/1050017300.db2.gz OGNLFBURHPGAPA-OAQYLSRUSA-N 1 0 304.437 4.055 20 30 DIEDRO N#Cc1cccc(CCC[N@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001208851216 1050017908 /nfs/dbraw/zinc/01/79/08/1050017908.db2.gz UJMYDOPRORMVRX-UHFFFAOYSA-N 1 0 300.421 4.095 20 30 DIEDRO N#Cc1ccc(CCC[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC001208862918 1050018520 /nfs/dbraw/zinc/01/85/20/1050018520.db2.gz SBJBPLOMZONGET-IBGZPJMESA-N 1 0 308.400 4.119 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)CCCc1ccc(C#N)cc1 ZINC001208863686 1050018653 /nfs/dbraw/zinc/01/86/53/1050018653.db2.gz BMLILTYSHIIFKJ-KRWDZBQOSA-N 1 0 322.452 4.062 20 30 DIEDRO N#Cc1ccc(CCC[NH+]2CCC3(CC[C@@H](F)C3)CC2)cc1 ZINC001208862300 1050018765 /nfs/dbraw/zinc/01/87/65/1050018765.db2.gz HQPSQAMGXCZVPU-GOSISDBHSA-N 1 0 300.421 4.095 20 30 DIEDRO C[C@@H](C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC001208895191 1050020408 /nfs/dbraw/zinc/02/04/08/1050020408.db2.gz ALAXIVIBNDXZAL-ZDUSSCGKSA-N 1 0 310.363 4.011 20 30 DIEDRO C[C@@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)c1cccc(C#N)c1 ZINC000589170111 1050022010 /nfs/dbraw/zinc/02/20/10/1050022010.db2.gz JDGOTLNHZMYQDI-MRUCEZMOSA-N 1 0 312.363 4.433 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000589176654 1050022523 /nfs/dbraw/zinc/02/25/23/1050022523.db2.gz UORQHXQPWQZWSI-UPQHMETBSA-N 1 0 324.374 4.360 20 30 DIEDRO COc1cccc([C@H]2CCCC[N@@H+]2CCc2ccc(C#N)cc2)c1 ZINC001208926669 1050023355 /nfs/dbraw/zinc/02/33/55/1050023355.db2.gz YANROFLRRCWXEX-OAQYLSRUSA-N 1 0 320.436 4.337 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC001208927616 1050023459 /nfs/dbraw/zinc/02/34/59/1050023459.db2.gz MYWLVJORRXCUFE-NRFANRHFSA-N 1 0 304.437 4.370 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000589184374 1050023913 /nfs/dbraw/zinc/02/39/13/1050023913.db2.gz WPUDALOTLATCCO-QRVBRYPASA-N 1 0 308.450 4.388 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000589184372 1050024140 /nfs/dbraw/zinc/02/41/40/1050024140.db2.gz WPUDALOTLATCCO-OTWHNJEPSA-N 1 0 308.450 4.388 20 30 DIEDRO Cc1cccc(C[N@H+](CCc2ccc(C#N)cc2)C2CC2)c1C ZINC001208929142 1050026225 /nfs/dbraw/zinc/02/62/25/1050026225.db2.gz OHQFJRSWJAJSST-UHFFFAOYSA-N 1 0 304.437 4.382 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)c(C(F)(F)F)c1 ZINC000589311277 1050028152 /nfs/dbraw/zinc/02/81/52/1050028152.db2.gz DZFYICBLYPALHZ-HNNXBMFYSA-N 1 0 316.326 4.007 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000589314047 1050028271 /nfs/dbraw/zinc/02/82/71/1050028271.db2.gz CZWCANMOWYUVRS-LLVKDONJSA-N 1 0 320.314 4.133 20 30 DIEDRO C=CC[N@H+](C[C@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C ZINC001208942086 1050028503 /nfs/dbraw/zinc/02/85/03/1050028503.db2.gz GEYDJDHKBUUFBQ-IBGZPJMESA-N 1 0 300.490 4.185 20 30 DIEDRO C=CC[N@H+](C[C@@H]1CCCN(Cc2ccccc2)C1)C(C)(C)C ZINC001208942087 1050028955 /nfs/dbraw/zinc/02/89/55/1050028955.db2.gz GEYDJDHKBUUFBQ-LJQANCHMSA-N 1 0 300.490 4.185 20 30 DIEDRO CC(C)[C@@H](C[NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000589319231 1050029150 /nfs/dbraw/zinc/02/91/50/1050029150.db2.gz MSPMOHINLRTPRB-OAHLLOKOSA-N 1 0 319.861 4.198 20 30 DIEDRO COCCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001209053108 1050031839 /nfs/dbraw/zinc/03/18/39/1050031839.db2.gz AHWMWCGZUBXXDE-QGZVFWFLSA-N 1 0 308.425 4.158 20 30 DIEDRO COCCC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001209053482 1050031852 /nfs/dbraw/zinc/03/18/52/1050031852.db2.gz JFJQIFFWTQSITF-KRWDZBQOSA-N 1 0 308.425 4.158 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(Cl)cc1Cl ZINC001209082570 1050033026 /nfs/dbraw/zinc/03/30/26/1050033026.db2.gz WMQWPHQLGLGELK-UWEBFBLFSA-N 1 0 309.240 4.302 20 30 DIEDRO CCCC[N@@H+](CCC#N)CCCCCCCCCC(=O)OC ZINC001209095236 1050034929 /nfs/dbraw/zinc/03/49/29/1050034929.db2.gz RPCCMCZRZVRVFN-UHFFFAOYSA-N 1 0 310.482 4.296 20 30 DIEDRO C[C@H]([NH2+]Cc1cscc1C(F)(F)F)c1cccc(C#N)c1 ZINC000589506613 1050036869 /nfs/dbraw/zinc/03/68/69/1050036869.db2.gz JOTUEHDZTKCCBV-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO C[C@@H]([NH2+]Cc1cscc1C(F)(F)F)c1cccc(C#N)c1 ZINC000589506614 1050037089 /nfs/dbraw/zinc/03/70/89/1050037089.db2.gz JOTUEHDZTKCCBV-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO CC[N@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589498934 1050037937 /nfs/dbraw/zinc/03/79/37/1050037937.db2.gz KPPCUBOEMGOEIM-UHFFFAOYSA-N 1 0 324.268 4.351 20 30 DIEDRO C=CCCC[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001209163680 1050040974 /nfs/dbraw/zinc/04/09/74/1050040974.db2.gz HDTAFUPVSXIRKT-INIZCTEOSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCC[NH+]1CCC(N(CC)C(=O)OC(C)(C)C)CC1 ZINC001209204460 1050043882 /nfs/dbraw/zinc/04/38/82/1050043882.db2.gz DTTGFLAIIAJDIG-UHFFFAOYSA-N 1 0 310.482 4.064 20 30 DIEDRO N#Cc1ccc(CC2CC[NH+](CCc3cccs3)CC2)cc1 ZINC001209224960 1050044643 /nfs/dbraw/zinc/04/46/43/1050044643.db2.gz PAVDDKZUBJMAAI-UHFFFAOYSA-N 1 0 310.466 4.117 20 30 DIEDRO C[N@H+](CCc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC001209284472 1050050878 /nfs/dbraw/zinc/05/08/78/1050050878.db2.gz HKOAXRBHPXDGLD-UHFFFAOYSA-N 1 0 318.342 4.252 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](CC3Cc4ccccc4C3)CC2)c1 ZINC001209321260 1050051545 /nfs/dbraw/zinc/05/15/45/1050051545.db2.gz CLTUDCGRPHIGFP-UHFFFAOYSA-N 1 0 316.448 4.153 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000589742359 1050057168 /nfs/dbraw/zinc/05/71/68/1050057168.db2.gz LROANMWAPQVKIG-HXUWFJFHSA-N 1 0 324.472 4.141 20 30 DIEDRO C=CCCCCC[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001209423209 1050057320 /nfs/dbraw/zinc/05/73/20/1050057320.db2.gz JKNAASBBFFZLLX-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCCC[N@@H+]1CCC[C@]2(CCC(=O)N2CC=C)[C@@H]1CC ZINC001209423819 1050057436 /nfs/dbraw/zinc/05/74/36/1050057436.db2.gz ZFTSQSWBPHFWJS-ICSRJNTNSA-N 1 0 318.505 4.154 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001209423433 1050057481 /nfs/dbraw/zinc/05/74/81/1050057481.db2.gz QNJSDXSZAXZRNN-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001209427582 1050057826 /nfs/dbraw/zinc/05/78/26/1050057826.db2.gz UKQWUSLABNVJLY-GFCCVEGCSA-N 1 0 317.355 4.014 20 30 DIEDRO C=CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001209423024 1050057968 /nfs/dbraw/zinc/05/79/68/1050057968.db2.gz MMCKXZUQMVMBEL-IRXDYDNUSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209431702 1050058232 /nfs/dbraw/zinc/05/82/32/1050058232.db2.gz RNUXAZRWHFOMNB-CABCVRRESA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001209431707 1050058614 /nfs/dbraw/zinc/05/86/14/1050058614.db2.gz RNUXAZRWHFOMNB-GJZGRUSLSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCC[C@]2(CCC(=O)N2)[C@@H]1CC ZINC001209441757 1050059122 /nfs/dbraw/zinc/05/91/22/1050059122.db2.gz LRKIDQZLCWCCQC-HKUYNNGSSA-N 1 0 306.494 4.036 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001209435602 1050059251 /nfs/dbraw/zinc/05/92/51/1050059251.db2.gz LRNZDABVEAZPCN-LJQANCHMSA-N 1 0 321.505 4.173 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC001209436794 1050059370 /nfs/dbraw/zinc/05/93/70/1050059370.db2.gz XOTPQDKJNZXKFO-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO C=CCCCCCC[NH+]1CCC2(CCn3c(C)cnc32)CC1 ZINC001209436351 1050059513 /nfs/dbraw/zinc/05/95/13/1050059513.db2.gz UXTXKHGKMKDUDQ-UHFFFAOYSA-N 1 0 301.478 4.065 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(c2nnc(CC)o2)CC1 ZINC001209442934 1050060330 /nfs/dbraw/zinc/06/03/30/1050060330.db2.gz ZWFOPQKMMQYNKU-UHFFFAOYSA-N 1 0 305.466 4.338 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(OC(=O)NCC)CC1 ZINC001209445187 1050060341 /nfs/dbraw/zinc/06/03/41/1050060341.db2.gz GSRYYSBNJWHDRB-UHFFFAOYSA-N 1 0 310.482 4.114 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC2(CCN(C(C)=O)C2)CC1 ZINC001209443310 1050060369 /nfs/dbraw/zinc/06/03/69/1050060369.db2.gz QHZNGJBJOLDTOD-UHFFFAOYSA-N 1 0 320.521 4.238 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(NC(=O)OCC)CC1 ZINC001209445180 1050060687 /nfs/dbraw/zinc/06/06/87/1050060687.db2.gz GKABXDXMDQGNKB-UHFFFAOYSA-N 1 0 310.482 4.114 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001209445542 1050060698 /nfs/dbraw/zinc/06/06/98/1050060698.db2.gz LFNXPMYLBVLDLC-UHFFFAOYSA-N 1 0 308.510 4.127 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)cc1 ZINC001209515779 1050065177 /nfs/dbraw/zinc/06/51/77/1050065177.db2.gz HRQMVKVIAHSHQK-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)c1 ZINC001209512892 1050065424 /nfs/dbraw/zinc/06/54/24/1050065424.db2.gz RWESJOZXGWWBMP-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO C=CCC[N@@H+](Cc1c2ccccc2nn1C)Cc1ccccc1 ZINC001209536215 1050067307 /nfs/dbraw/zinc/06/73/07/1050067307.db2.gz ITOPLCSZQZZHRU-UHFFFAOYSA-N 1 0 305.425 4.152 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCC3)cc1Cl ZINC000589937803 1050068067 /nfs/dbraw/zinc/06/80/67/1050068067.db2.gz VUUKMAJDVHYATE-UHFFFAOYSA-N 1 0 310.828 4.380 20 30 DIEDRO CC(C)O[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000589990816 1050070343 /nfs/dbraw/zinc/07/03/43/1050070343.db2.gz BWYJWRZVFZFHRJ-OXJNMPFZSA-N 1 0 308.425 4.375 20 30 DIEDRO CSC[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590028550 1050072565 /nfs/dbraw/zinc/07/25/65/1050072565.db2.gz MDDIDFBXFVMDBP-INIZCTEOSA-N 1 0 302.487 4.063 20 30 DIEDRO N#Cc1ccc2c(c1)CN(Cc1cc3cc(Cl)ccc3[nH]1)CC2 ZINC001209721261 1050079301 /nfs/dbraw/zinc/07/93/01/1050079301.db2.gz ZNTANTZKSMXYHX-UHFFFAOYSA-N 1 0 321.811 4.251 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(F)c(Br)c1 ZINC000590194037 1050081014 /nfs/dbraw/zinc/08/10/14/1050081014.db2.gz XSROHGDCCGUYLZ-JTQLQIEISA-N 1 0 313.214 4.179 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2c(F)cc(C#N)cc2F)cc1 ZINC001209823397 1050089444 /nfs/dbraw/zinc/08/94/44/1050089444.db2.gz DQQUOMSFHYUMFC-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO C[C@@]1(C#N)CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000590362426 1050089519 /nfs/dbraw/zinc/08/95/19/1050089519.db2.gz HFDMKEDUMYVBRH-NRFANRHFSA-N 1 0 304.437 4.444 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2cc(C#N)ccc2NC)cc1 ZINC001209824038 1050089839 /nfs/dbraw/zinc/08/98/39/1050089839.db2.gz DYTGTIOJMNWDMG-UHFFFAOYSA-N 1 0 308.429 4.185 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2cc(F)c(F)cc2C#N)cc1 ZINC001209824814 1050090286 /nfs/dbraw/zinc/09/02/86/1050090286.db2.gz RVHFHHMTNMEGKW-UHFFFAOYSA-N 1 0 315.367 4.422 20 30 DIEDRO COCCN(CCC#N)Cc1ccccc1-c1ccccc1C ZINC000590638891 1050100854 /nfs/dbraw/zinc/10/08/54/1050100854.db2.gz KZCVTPGLEWBEMI-UHFFFAOYSA-N 1 0 308.425 4.024 20 30 DIEDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000590647762 1050101461 /nfs/dbraw/zinc/10/14/61/1050101461.db2.gz PMSUBSGFVFDRNE-WOJBJXKFSA-N 1 0 320.436 4.272 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)c1cccc(C#N)c1 ZINC000590646850 1050101675 /nfs/dbraw/zinc/10/16/75/1050101675.db2.gz KQPVKZUEMBULSJ-MYWSLZCHSA-N 1 0 312.457 4.479 20 30 DIEDRO CCOc1ccc(C[C@H](C)C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000590780291 1050106711 /nfs/dbraw/zinc/10/67/11/1050106711.db2.gz DEMBSGUMEOTXFM-VQSBYGRUSA-N 1 0 314.473 4.326 20 30 DIEDRO N#CCCCOc1cccc(C[NH+]2CC(Cc3ccccc3)C2)c1 ZINC000590967509 1050114923 /nfs/dbraw/zinc/11/49/23/1050114923.db2.gz OZGKEKIYDUJLPQ-UHFFFAOYSA-N 1 0 320.436 4.044 20 30 DIEDRO N#CC1(CC[NH2+][C@H](Cn2cccn2)c2ccccc2)CCCCC1 ZINC000591018809 1050118148 /nfs/dbraw/zinc/11/81/48/1050118148.db2.gz DLSXOSXOAVIXLS-LJQANCHMSA-N 1 0 322.456 4.078 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000591041761 1050120586 /nfs/dbraw/zinc/12/05/86/1050120586.db2.gz JKINXCRBDXHECT-UHFFFAOYSA-N 1 0 314.498 4.349 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000591241350 1050132293 /nfs/dbraw/zinc/13/22/93/1050132293.db2.gz IXXAKRWMFNKAJS-CYBMUJFWSA-N 1 0 314.816 4.380 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000591241351 1050132410 /nfs/dbraw/zinc/13/24/10/1050132410.db2.gz IXXAKRWMFNKAJS-ZDUSSCGKSA-N 1 0 314.816 4.380 20 30 DIEDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCCCC1(C#N)CCC1 ZINC001170014032 1050154655 /nfs/dbraw/zinc/15/46/55/1050154655.db2.gz OFDVFWDXFBELFM-IBGZPJMESA-N 1 0 314.473 4.040 20 30 DIEDRO CC[C@@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000770390112 1050155119 /nfs/dbraw/zinc/15/51/19/1050155119.db2.gz KDNALUZYDRUFDP-RXVVDRJESA-N 1 0 320.436 4.125 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000823831090 1050157796 /nfs/dbraw/zinc/15/77/96/1050157796.db2.gz PNSVGJKYPIOTIT-UZLBHIALSA-N 1 0 320.436 4.187 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC12CCSCC2 ZINC000591532466 1050167505 /nfs/dbraw/zinc/16/75/05/1050167505.db2.gz UGGAVCPTHBVLOA-WMZOPIPTSA-N 1 0 312.482 4.059 20 30 DIEDRO CCCCC[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)C(C)(C)C ZINC001307617513 1050169942 /nfs/dbraw/zinc/16/99/42/1050169942.db2.gz RTZZHEXSKIJFRC-ZWKOTPCHSA-N 1 0 302.462 4.176 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000824011950 1050174224 /nfs/dbraw/zinc/17/42/24/1050174224.db2.gz IZRGYRLNJCSWEK-RMXPPQQLSA-N 1 0 310.441 4.495 20 30 DIEDRO FC(F)(F)c1ccccc1[C@@H]1CCCCCC1=[NH+]n1cnnc1 ZINC000770591564 1050175714 /nfs/dbraw/zinc/17/57/14/1050175714.db2.gz YAJJRQIQNIVPGX-ZDUSSCGKSA-N 1 0 322.334 4.249 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccccc1 ZINC000824037633 1050177505 /nfs/dbraw/zinc/17/75/05/1050177505.db2.gz WDZKYJNJDYPPOD-LJQANCHMSA-N 1 0 321.420 4.092 20 30 DIEDRO CC(C)[N@@H+]1CC[C@H](OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001210247459 1050179260 /nfs/dbraw/zinc/17/92/60/1050179260.db2.gz UTIPAYRODAJUPW-FQEVSTJZSA-N 1 0 320.436 4.225 20 30 DIEDRO C[N@@H+]1CCC[C@@H](OCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC001210247218 1050179631 /nfs/dbraw/zinc/17/96/31/1050179631.db2.gz RRUXZAJIINPSJE-HXUWFJFHSA-N 1 0 320.436 4.226 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378760510 1050188537 /nfs/dbraw/zinc/18/85/37/1050188537.db2.gz AUIXHLRLFIZGEU-KXUCPTDWSA-N 1 0 320.683 4.392 20 30 DIEDRO C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCCCC1(C#N)CCC1)C1CC1 ZINC001171049979 1050191643 /nfs/dbraw/zinc/19/16/43/1050191643.db2.gz TYRQWIHKYGKYAD-HNNXBMFYSA-N 1 0 320.477 4.045 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N(CCC)CC[NH+](CC)CC)c1 ZINC001210299496 1050195720 /nfs/dbraw/zinc/19/57/20/1050195720.db2.gz MCBYZSWFHFLVPW-UHFFFAOYSA-N 1 0 317.477 4.305 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2C)cc1 ZINC000734005154 1050212901 /nfs/dbraw/zinc/21/29/01/1050212901.db2.gz XXHFNMBDRXAUJA-JFIYKMOQSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cc(C3CC3)ccc2F)cc1 ZINC000824548568 1050223678 /nfs/dbraw/zinc/22/36/78/1050223678.db2.gz JTOFCJVKEMFWKR-CQSZACIVSA-N 1 0 324.399 4.284 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)cc1 ZINC000824651033 1050229485 /nfs/dbraw/zinc/22/94/85/1050229485.db2.gz SSFXWMLNFZHBNS-OXQOHEQNSA-N 1 0 321.420 4.091 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccnc(C#N)c1)C1CCCC1 ZINC000591848902 1050229761 /nfs/dbraw/zinc/22/97/61/1050229761.db2.gz PMRMDYOWHVEKAP-MRXNPFEDSA-N 1 0 305.425 4.459 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2Nc1cc[nH+]cc1-c1ccccc1 ZINC001171062751 1050232208 /nfs/dbraw/zinc/23/22/08/1050232208.db2.gz MSXJPANQEVXDPO-HXUWFJFHSA-N 1 0 311.388 4.142 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCC1=NOCc1ccccc1 ZINC000734365311 1050257016 /nfs/dbraw/zinc/25/70/16/1050257016.db2.gz FVQYBMYCTDXSKO-KRWDZBQOSA-N 1 0 308.425 4.101 20 30 DIEDRO CCCc1ccc([C@H]([NH2+]Cc2ccncc2C#N)C(C)C)cc1 ZINC000592073085 1050267676 /nfs/dbraw/zinc/26/76/76/1050267676.db2.gz AVGVOYIWCKIKAL-HXUWFJFHSA-N 1 0 307.441 4.393 20 30 DIEDRO Cc1cnc(CC[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)c1 ZINC000592066214 1050270121 /nfs/dbraw/zinc/27/01/21/1050270121.db2.gz OHAYQGPOTBXGOG-UHFFFAOYSA-N 1 0 307.441 4.023 20 30 DIEDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000592153518 1050271953 /nfs/dbraw/zinc/27/19/53/1050271953.db2.gz FCVJDQAHOUHCSD-ROUUACIJSA-N 1 0 318.505 4.235 20 30 DIEDRO CCCCC[C@H]([NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C(C)(C)C ZINC000734508661 1050279721 /nfs/dbraw/zinc/27/97/21/1050279721.db2.gz KFNQJOIRMOEZFO-BXWFABGCSA-N 1 0 323.525 4.014 20 30 DIEDRO CCCCC[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C(C)(C)C ZINC000734508663 1050279851 /nfs/dbraw/zinc/27/98/51/1050279851.db2.gz KFNQJOIRMOEZFO-GJYPPUQNSA-N 1 0 323.525 4.014 20 30 DIEDRO CC(C)Cn1nccc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000592368130 1050289150 /nfs/dbraw/zinc/28/91/50/1050289150.db2.gz RYNQASOLOVWIOF-LJQANCHMSA-N 1 0 310.445 4.064 20 30 DIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CC(F)F ZINC000592392406 1050291079 /nfs/dbraw/zinc/29/10/79/1050291079.db2.gz RIEPLRCWPMCRSX-MXWWQKGMSA-N 1 0 306.400 4.271 20 30 DIEDRO N#Cc1cc(F)ccc1Nc1ccccc1C[NH+]1CCCCC1 ZINC001210554213 1050292831 /nfs/dbraw/zinc/29/28/31/1050292831.db2.gz BBNQCKOITBEAKG-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccncc1 ZINC000592390243 1050297060 /nfs/dbraw/zinc/29/70/60/1050297060.db2.gz KNNYIJCEFKTCKY-SFHVURJKSA-N 1 0 313.832 4.484 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592391635 1050297615 /nfs/dbraw/zinc/29/76/15/1050297615.db2.gz QAPUAZQLBYMUMS-ZDUSSCGKSA-N 1 0 313.470 4.492 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2CCC(F)CC2)c(C(F)(F)F)c1 ZINC000592377237 1050297734 /nfs/dbraw/zinc/29/77/34/1050297734.db2.gz MNXBRPZOBQCVHF-UHFFFAOYSA-N 1 0 314.326 4.195 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171084454 1050298838 /nfs/dbraw/zinc/29/88/38/1050298838.db2.gz ZAEMRAKLDLGZQD-IUODEOHRSA-N 1 0 323.267 4.476 20 30 DIEDRO Cc1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c(C#N)c1 ZINC001210566718 1050299268 /nfs/dbraw/zinc/29/92/68/1050299268.db2.gz PISFBAYDJIWITP-UHFFFAOYSA-N 1 0 305.425 4.420 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(C(C)(C)C)s2)ccc1C#N ZINC000574005318 1050300895 /nfs/dbraw/zinc/30/08/95/1050300895.db2.gz HSMRCIPZVBTJOT-UHFFFAOYSA-N 1 0 314.454 4.216 20 30 DIEDRO C[C@H]([NH2+]Cc1cscc1Cl)c1ccc(OCC#N)cc1 ZINC000771944649 1050303531 /nfs/dbraw/zinc/30/35/31/1050303531.db2.gz BBODLOHFTFBMJS-NSHDSACASA-N 1 0 306.818 4.155 20 30 DIEDRO C[C@]1(C#N)CCN([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088862 1050304337 /nfs/dbraw/zinc/30/43/37/1050304337.db2.gz WVAVMWVADKCLCI-CZUORRHYSA-N 1 0 309.240 4.086 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)ccc2F)c1 ZINC000735084871 1050344545 /nfs/dbraw/zinc/34/45/45/1050344545.db2.gz VRUAHYXUJAZHKL-KRWDZBQOSA-N 1 0 312.388 4.105 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000735085492 1050344892 /nfs/dbraw/zinc/34/48/92/1050344892.db2.gz CTXKVXMRVJCYAX-KRWDZBQOSA-N 1 0 310.441 4.332 20 30 DIEDRO N#Cc1cccc(Cl)c1CN1CC[C@H](c2ccccc2F)C1 ZINC001143726325 1050345541 /nfs/dbraw/zinc/34/55/41/1050345541.db2.gz MLLBIJLIIFQIBJ-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc(Cl)c1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210714904 1050346129 /nfs/dbraw/zinc/34/61/29/1050346129.db2.gz RFQGVBFUHPXBSD-HNNXBMFYSA-N 1 0 301.821 4.156 20 30 DIEDRO N#Cc1ccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c(F)c1Cl ZINC001210714120 1050346714 /nfs/dbraw/zinc/34/67/14/1050346714.db2.gz RUZVKCFSSYOTDP-AWEZNQCLSA-N 1 0 319.811 4.295 20 30 DIEDRO C[NH+]1CCC(COc2ccccc2Nc2ccccc2C#N)CC1 ZINC001210742093 1050357489 /nfs/dbraw/zinc/35/74/89/1050357489.db2.gz LTOBIAPVXZOIDL-UHFFFAOYSA-N 1 0 321.424 4.022 20 30 DIEDRO CC[N@H+](Cc1cccs1)Cc1cc(Cl)ccc1OCC#N ZINC000735305774 1050367701 /nfs/dbraw/zinc/36/77/01/1050367701.db2.gz DQYKQZAXAQDBSJ-UHFFFAOYSA-N 1 0 320.845 4.326 20 30 DIEDRO CC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735304243 1050367882 /nfs/dbraw/zinc/36/78/82/1050367882.db2.gz DCJJADCRUIPICR-UHFFFAOYSA-N 1 0 314.816 4.264 20 30 DIEDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735305957 1050368763 /nfs/dbraw/zinc/36/87/63/1050368763.db2.gz FTMWITYVEWPJQY-XJKSGUPXSA-N 1 0 306.837 4.253 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000574082063 1050369042 /nfs/dbraw/zinc/36/90/42/1050369042.db2.gz OTCPDTXXRBZCDJ-XEZPLFJOSA-N 1 0 313.363 4.337 20 30 DIEDRO C=C(Br)C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000785540172 1050386703 /nfs/dbraw/zinc/38/67/03/1050386703.db2.gz JPUOSAAJLGWKPE-UHFFFAOYSA-N 1 0 308.141 4.012 20 30 DIEDRO C#CCCCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000790552320 1050396953 /nfs/dbraw/zinc/39/69/53/1050396953.db2.gz AOUDBIACUGGDMD-UHFFFAOYSA-N 1 0 304.846 4.357 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785613368 1050398018 /nfs/dbraw/zinc/39/80/18/1050398018.db2.gz FFTAUYGAWJLASJ-OAQYLSRUSA-N 1 0 319.452 4.182 20 30 DIEDRO C=CCCC[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000735490880 1050397969 /nfs/dbraw/zinc/39/79/69/1050397969.db2.gz TYGPKRXXVSSSEN-QGZVFWFLSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000735490050 1050398180 /nfs/dbraw/zinc/39/81/80/1050398180.db2.gz ATEOASBGEYKUSV-IRXDYDNUSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCCC[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000735490048 1050398444 /nfs/dbraw/zinc/39/84/44/1050398444.db2.gz ATEOASBGEYKUSV-DLBZAZTESA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000785682839 1050400694 /nfs/dbraw/zinc/40/06/94/1050400694.db2.gz LRMDNOJTTXZYBA-IBGZPJMESA-N 1 0 305.437 4.318 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)c1 ZINC000766214434 1050427567 /nfs/dbraw/zinc/42/75/67/1050427567.db2.gz ORRRFIDLCWAART-QGPMSJSTSA-N 1 0 300.446 4.282 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000593626345 1050429133 /nfs/dbraw/zinc/42/91/33/1050429133.db2.gz YTNGAJHZBZSCKM-KOHJWAIASA-N 1 0 306.812 4.386 20 30 DIEDRO COC[C@@H](CC(C)(C)C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000593630342 1050429390 /nfs/dbraw/zinc/42/93/90/1050429390.db2.gz VBQXLHOMIMZJBW-QZTJIDSGSA-N 1 0 302.462 4.462 20 30 DIEDRO COC[C@@H](CC(C)(C)C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000593630341 1050430075 /nfs/dbraw/zinc/43/00/75/1050430075.db2.gz VBQXLHOMIMZJBW-MSOLQXFVSA-N 1 0 302.462 4.462 20 30 DIEDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000593626330 1050430295 /nfs/dbraw/zinc/43/02/95/1050430295.db2.gz WUNZUOHIOSIKRX-KLAILNCOSA-N 1 0 322.493 4.054 20 30 DIEDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1(C#N)CCCC1 ZINC000593654747 1050431840 /nfs/dbraw/zinc/43/18/40/1050431840.db2.gz MRJPAZDMMKGUBL-UVTDQMKNSA-N 1 0 320.383 4.365 20 30 DIEDRO CC1(C)C[C@H]([NH2+]C2CCC(C)(C#N)CC2)c2cc(F)ccc2O1 ZINC000593674450 1050435050 /nfs/dbraw/zinc/43/50/50/1050435050.db2.gz UMXPSZDMPGHLMY-RCDNUKIMSA-N 1 0 316.420 4.490 20 30 DIEDRO N#CCCC[C@H]([NH2+]CCc1noc2ccccc12)c1ccccc1 ZINC000593994747 1050462280 /nfs/dbraw/zinc/46/22/80/1050462280.db2.gz IZWHMNHPSAOAFT-SFHVURJKSA-N 1 0 319.408 4.395 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000797005585 1050464595 /nfs/dbraw/zinc/46/45/95/1050464595.db2.gz DDGWMEVBRRNZEH-ZDUSSCGKSA-N 1 0 317.816 4.461 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000797005584 1050465145 /nfs/dbraw/zinc/46/51/45/1050465145.db2.gz DDGWMEVBRRNZEH-CYBMUJFWSA-N 1 0 317.816 4.461 20 30 DIEDRO CC(=[NH+]OCc1cccnc1)c1ccc(N2CCCCCC2)cc1 ZINC000746586968 1050484399 /nfs/dbraw/zinc/48/43/99/1050484399.db2.gz AWOFBUXWAUUGNN-UHFFFAOYSA-N 1 0 323.440 4.403 20 30 DIEDRO CSc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144166741 1050487845 /nfs/dbraw/zinc/48/78/45/1050487845.db2.gz SVXASUHVZDPFPG-QGZVFWFLSA-N 1 0 309.438 4.012 20 30 DIEDRO N#Cc1coc(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)c1 ZINC001171148320 1050487905 /nfs/dbraw/zinc/48/79/05/1050487905.db2.gz DBZHYTUSRHCZGR-ZDUSSCGKSA-N 1 0 321.207 4.105 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC001211130087 1050490305 /nfs/dbraw/zinc/49/03/05/1050490305.db2.gz WYTVTRVSBRODQV-UHFFFAOYSA-N 1 0 305.303 4.040 20 30 DIEDRO CCCCCCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000226582918 1050490639 /nfs/dbraw/zinc/49/06/39/1050490639.db2.gz NQHBRUUEGFVMLR-UHFFFAOYSA-N 1 0 312.498 4.382 20 30 DIEDRO N#CC1(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000574518613 1050491425 /nfs/dbraw/zinc/49/14/25/1050491425.db2.gz OTJSXWIXYKDIPI-QGZVFWFLSA-N 1 0 300.471 4.078 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(N3CCCCC3)c(C#N)c2)c1 ZINC001211138483 1050493390 /nfs/dbraw/zinc/49/33/90/1050493390.db2.gz GUFDPURDZWOGCY-UHFFFAOYSA-N 1 0 320.440 4.012 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000574577205 1050497756 /nfs/dbraw/zinc/49/77/56/1050497756.db2.gz ZONDPDUEZNSPMY-CYBMUJFWSA-N 1 0 321.380 4.195 20 30 DIEDRO Cc1cc(Br)cc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001144218831 1050498277 /nfs/dbraw/zinc/49/82/77/1050498277.db2.gz PZLNZPADAVZDQU-UHFFFAOYSA-N 1 0 321.262 4.416 20 30 DIEDRO CCOc1ccccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594495882 1050518138 /nfs/dbraw/zinc/51/81/38/1050518138.db2.gz UEKOMOHHYLRJLV-UHFFFAOYSA-N 1 0 308.425 4.176 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1 ZINC000594498695 1050518196 /nfs/dbraw/zinc/51/81/96/1050518196.db2.gz SURYCBNLOCRKQU-HBMCJLEFSA-N 1 0 316.448 4.163 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594497592 1050518796 /nfs/dbraw/zinc/51/87/96/1050518796.db2.gz IFMGJXOTWCATNF-IBGZPJMESA-N 1 0 320.436 4.273 20 30 DIEDRO C#CCOc1ccc(CNc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000786831496 1050519010 /nfs/dbraw/zinc/51/90/10/1050519010.db2.gz ONWPGBPYIFWPNO-UHFFFAOYSA-N 1 0 322.452 4.153 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000594496554 1050519724 /nfs/dbraw/zinc/51/97/24/1050519724.db2.gz NSHUXVBPCCUFOJ-UHFFFAOYSA-N 1 0 300.352 4.056 20 30 DIEDRO CO[C@@](C)(C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594506913 1050520273 /nfs/dbraw/zinc/52/02/73/1050520273.db2.gz HHZJDKWASSMDIU-NRFANRHFSA-N 1 0 322.452 4.139 20 30 DIEDRO Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CCc3cc(C#N)ccc31)CC2 ZINC000594500306 1050520681 /nfs/dbraw/zinc/52/06/81/1050520681.db2.gz MUPYUDGCKSQBAO-UXHICEINSA-N 1 0 302.421 4.440 20 30 DIEDRO Cc1cnc([C@@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000594501444 1050520974 /nfs/dbraw/zinc/52/09/74/1050520974.db2.gz WGRNWZUDAKAROK-ZDUSSCGKSA-N 1 0 313.470 4.146 20 30 DIEDRO CC(C)OC1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594505248 1050522000 /nfs/dbraw/zinc/52/20/00/1050522000.db2.gz RLNNVKAUZNUWGO-UHFFFAOYSA-N 1 0 314.473 4.314 20 30 DIEDRO COC1CCC(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594500607 1050522038 /nfs/dbraw/zinc/52/20/38/1050522038.db2.gz PRNMMWXSSMQBKM-UHFFFAOYSA-N 1 0 314.473 4.173 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786870984 1050523701 /nfs/dbraw/zinc/52/37/01/1050523701.db2.gz UXVPQNNNAMCVNL-JKSUJKDBSA-N 1 0 315.461 4.002 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786870983 1050524561 /nfs/dbraw/zinc/52/45/61/1050524561.db2.gz UXVPQNNNAMCVNL-HZPDHXFCSA-N 1 0 315.461 4.002 20 30 DIEDRO COc1c(C)cccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594513628 1050525142 /nfs/dbraw/zinc/52/51/42/1050525142.db2.gz DWLLFPMJHBUOIK-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000594512758 1050526091 /nfs/dbraw/zinc/52/60/91/1050526091.db2.gz CXXJNFWYPYPJGF-CQSZACIVSA-N 1 0 321.380 4.196 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4c3cccc4F)CCC2)cc1 ZINC000594512978 1050526157 /nfs/dbraw/zinc/52/61/57/1050526157.db2.gz GARSKLUAVBYSOI-LJQANCHMSA-N 1 0 306.384 4.354 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C)c1ccncc1 ZINC000786910358 1050526199 /nfs/dbraw/zinc/52/61/99/1050526199.db2.gz DTFUEHSHQVAILW-KBXCAEBGSA-N 1 0 312.461 4.310 20 30 DIEDRO C[C@H](Cc1ccccn1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000594516209 1050528375 /nfs/dbraw/zinc/52/83/75/1050528375.db2.gz UTGHUIBLJCDLJS-FQVISZRSSA-N 1 0 319.452 4.006 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519712 1050528512 /nfs/dbraw/zinc/52/85/12/1050528512.db2.gz XYZACEZJBTWYSZ-JSGCOSHPSA-N 1 0 324.346 4.246 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000594516742 1050528700 /nfs/dbraw/zinc/52/87/00/1050528700.db2.gz DHDWXBKBENEBJR-HXUWFJFHSA-N 1 0 315.420 4.137 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594519775 1050528789 /nfs/dbraw/zinc/52/87/89/1050528789.db2.gz LKOGAQTVKBANRV-HKUYNNGSSA-N 1 0 310.441 4.017 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccccc1N(C)C ZINC000594520137 1050529356 /nfs/dbraw/zinc/52/93/56/1050529356.db2.gz ZZPFQAJVXXHKGO-MRXNPFEDSA-N 1 0 319.452 4.354 20 30 DIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594519299 1050531651 /nfs/dbraw/zinc/53/16/51/1050531651.db2.gz JNDDJPMANDXERU-RDTXWAMCSA-N 1 0 306.409 4.444 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000787029895 1050542714 /nfs/dbraw/zinc/54/27/14/1050542714.db2.gz ZAUCAPCELCIKMX-PMACEKPBSA-N 1 0 318.420 4.221 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171160943 1050544085 /nfs/dbraw/zinc/54/40/85/1050544085.db2.gz CRRBAPZEYHGJKO-DOMZBBRYSA-N 1 0 323.267 4.476 20 30 DIEDRO COc1ccc([C@@H]([NH2+]CC2(CC#N)CC2)c2ccc(C)cc2)cc1 ZINC000594702409 1050547523 /nfs/dbraw/zinc/54/75/23/1050547523.db2.gz WHXUYYKZPRKYID-FQEVSTJZSA-N 1 0 320.436 4.377 20 30 DIEDRO C=C(C)c1ccc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)nc1 ZINC001171165529 1050547735 /nfs/dbraw/zinc/54/77/35/1050547735.db2.gz JMDPSMFNMYQGJB-OAHLLOKOSA-N 1 0 305.425 4.257 20 30 DIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(CCC#N)cc3)c2c1 ZINC001171170507 1050551343 /nfs/dbraw/zinc/55/13/43/1050551343.db2.gz XXXQPVYVIHPXLB-INIZCTEOSA-N 1 0 317.436 4.285 20 30 DIEDRO N#CCC1(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000594700414 1050552055 /nfs/dbraw/zinc/55/20/55/1050552055.db2.gz GRADCDNDFGHYFC-INIZCTEOSA-N 1 0 300.402 4.260 20 30 DIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(CCC#N)cc3)c2c1 ZINC001171170508 1050552317 /nfs/dbraw/zinc/55/23/17/1050552317.db2.gz XXXQPVYVIHPXLB-MRXNPFEDSA-N 1 0 317.436 4.285 20 30 DIEDRO CCOCc1ccccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594914757 1050561266 /nfs/dbraw/zinc/56/12/66/1050561266.db2.gz KKWCZZMFMVETSO-UHFFFAOYSA-N 1 0 320.436 4.068 20 30 DIEDRO N#Cc1cnccc1SCc1cccc(C[NH+]2CCCCC2)c1 ZINC000594913820 1050561661 /nfs/dbraw/zinc/56/16/61/1050561661.db2.gz HNASFBWPTWUZML-UHFFFAOYSA-N 1 0 323.465 4.231 20 30 DIEDRO COc1ccc(C2([NH2+]Cc3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000594924409 1050562287 /nfs/dbraw/zinc/56/22/87/1050562287.db2.gz NUULSZQBQDDYQY-UHFFFAOYSA-N 1 0 318.420 4.029 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CSc4ccccc43)cc2)CC1 ZINC000594923613 1050562929 /nfs/dbraw/zinc/56/29/29/1050562929.db2.gz KWRRDJFZZHNVJT-QGZVFWFLSA-N 1 0 306.434 4.178 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc2ccccc21 ZINC001171175121 1050563393 /nfs/dbraw/zinc/56/33/93/1050563393.db2.gz HRIUFCJJYMHWEC-MRXNPFEDSA-N 1 0 300.405 4.432 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(OC)cc1 ZINC000594916575 1050563422 /nfs/dbraw/zinc/56/34/22/1050563422.db2.gz GNLWQKRWXIAQFG-HXUWFJFHSA-N 1 0 320.436 4.491 20 30 DIEDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594923254 1050563476 /nfs/dbraw/zinc/56/34/76/1050563476.db2.gz HKQIKZBLZIXNRI-HNNXBMFYSA-N 1 0 308.400 4.102 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594923255 1050563877 /nfs/dbraw/zinc/56/38/77/1050563877.db2.gz HKQIKZBLZIXNRI-OAHLLOKOSA-N 1 0 308.400 4.102 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001171174818 1050564007 /nfs/dbraw/zinc/56/40/07/1050564007.db2.gz CYPFNCBNIVHSRO-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)cc2)CC1 ZINC000594920688 1050564011 /nfs/dbraw/zinc/56/40/11/1050564011.db2.gz HEKPTZOAOUISLQ-UHFFFAOYSA-N 1 0 315.420 4.055 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCSc3ccccc3)cc2)CC1 ZINC000594917230 1050564341 /nfs/dbraw/zinc/56/43/41/1050564341.db2.gz HVZOZVDOJOXUQY-UHFFFAOYSA-N 1 0 308.450 4.124 20 30 DIEDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594923788 1050564867 /nfs/dbraw/zinc/56/48/67/1050564867.db2.gz LQDPEQYQYBUOHP-SJORKVTESA-N 1 0 300.471 4.006 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCc3ccc(Cl)s3)cc2)CC1 ZINC000594926116 1050565480 /nfs/dbraw/zinc/56/54/80/1050565480.db2.gz SBOBUYYKPOYZOA-UHFFFAOYSA-N 1 0 316.857 4.289 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC001211436329 1050566240 /nfs/dbraw/zinc/56/62/40/1050566240.db2.gz ITBZKRREBFRGOC-UHFFFAOYSA-N 1 0 317.820 4.198 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001211436107 1050566522 /nfs/dbraw/zinc/56/65/22/1050566522.db2.gz AWEQXBBGXVZZIA-UHFFFAOYSA-N 1 0 317.820 4.198 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cccc3ccccc32)no1 ZINC001211436612 1050566813 /nfs/dbraw/zinc/56/68/13/1050566813.db2.gz RTNLWOPKOCUGIR-UHFFFAOYSA-N 1 0 319.408 4.389 20 30 DIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cccc(C)c2Cl)no1 ZINC001211436576 1050566863 /nfs/dbraw/zinc/56/68/63/1050566863.db2.gz QELYGTYRRWHLCH-UHFFFAOYSA-N 1 0 317.820 4.198 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001171178374 1050568221 /nfs/dbraw/zinc/56/82/21/1050568221.db2.gz FWKDIQMACWPFCK-CYBMUJFWSA-N 1 0 300.352 4.217 20 30 DIEDRO Cc1ccc2cc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)[nH]c2c1 ZINC000594938467 1050575163 /nfs/dbraw/zinc/57/51/63/1050575163.db2.gz LHDZVBORGNVDMS-LJQANCHMSA-N 1 0 301.393 4.125 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000594939136 1050575222 /nfs/dbraw/zinc/57/52/22/1050575222.db2.gz ZTXVRNNSQPEBRQ-HNNXBMFYSA-N 1 0 304.384 4.157 20 30 DIEDRO CCS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594935231 1050575831 /nfs/dbraw/zinc/57/58/31/1050575831.db2.gz DVZHTMIVRUBPOL-ZWKOTPCHSA-N 1 0 314.498 4.396 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000594935968 1050575843 /nfs/dbraw/zinc/57/58/43/1050575843.db2.gz RLCSMTADPWVWGZ-AWEZNQCLSA-N 1 0 321.380 4.001 20 30 DIEDRO CCS[C@H]1CCC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594935230 1050576293 /nfs/dbraw/zinc/57/62/93/1050576293.db2.gz DVZHTMIVRUBPOL-ROUUACIJSA-N 1 0 314.498 4.396 20 30 DIEDRO CC(C)[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccnc1 ZINC000594938472 1050576917 /nfs/dbraw/zinc/57/69/17/1050576917.db2.gz KVVIVFIQIJSSEF-FQEVSTJZSA-N 1 0 319.452 4.166 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCCc4sccc43)cc2)CC1 ZINC000594943706 1050577997 /nfs/dbraw/zinc/57/79/97/1050577997.db2.gz GAQKEVMWVONTOO-QGZVFWFLSA-N 1 0 308.450 4.470 20 30 DIEDRO [NH2+]=C(Nc1ccc2c(c1)C=CC2)c1ccc2cc(O)ccc2c1 ZINC001171182158 1050578269 /nfs/dbraw/zinc/57/82/69/1050578269.db2.gz JBSIVGYMQNAJRX-UHFFFAOYSA-N 1 0 300.361 4.152 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(Cl)cc3F)cc2)CC1 ZINC000594948290 1050578155 /nfs/dbraw/zinc/57/81/55/1050578155.db2.gz YRFSOSSNYHSVEC-UHFFFAOYSA-N 1 0 314.791 4.324 20 30 DIEDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594940955 1050578514 /nfs/dbraw/zinc/57/85/14/1050578514.db2.gz WMJGGVSLANRMIZ-LJQANCHMSA-N 1 0 318.420 4.164 20 30 DIEDRO Cc1[nH]c2ccc(Nc3ccc4nc(C#N)sc4c3)cc2[nH+]1 ZINC001213074390 1050579087 /nfs/dbraw/zinc/57/90/87/1050579087.db2.gz RXLXPWAGYLXURK-UHFFFAOYSA-N 1 0 305.366 4.096 20 30 DIEDRO C=CCCSCC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000594960548 1050580405 /nfs/dbraw/zinc/58/04/05/1050580405.db2.gz SJTJRTPIRIFNTR-UHFFFAOYSA-N 1 0 304.484 4.209 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCc3cc4ccccc4[nH]3)cc2)CC1 ZINC000594953134 1050580624 /nfs/dbraw/zinc/58/06/24/1050580624.db2.gz IMPJXAIXLCZYOP-UHFFFAOYSA-N 1 0 315.420 4.055 20 30 DIEDRO Cc1ccc2c(CC[NH3+])cn([C@@H](C)Cc3cccc(C#N)c3)c2c1 ZINC001171180557 1050580516 /nfs/dbraw/zinc/58/05/16/1050580516.db2.gz BGGBOTZIDWXLSU-INIZCTEOSA-N 1 0 317.436 4.126 20 30 DIEDRO CCCOc1cccc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171185243 1050581383 /nfs/dbraw/zinc/58/13/83/1050581383.db2.gz PDQXJSGWHHZPMC-MRXNPFEDSA-N 1 0 308.425 4.068 20 30 DIEDRO CCCOc1cccc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171185242 1050581590 /nfs/dbraw/zinc/58/15/90/1050581590.db2.gz PDQXJSGWHHZPMC-INIZCTEOSA-N 1 0 308.425 4.068 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)c(F)cc1Cl ZINC001171183488 1050582023 /nfs/dbraw/zinc/58/20/23/1050582023.db2.gz FICCVFMIXVWIOB-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO C=CCCSCC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000594960460 1050582138 /nfs/dbraw/zinc/58/21/38/1050582138.db2.gz QSCSSYZYJFRPCA-UHFFFAOYSA-N 1 0 322.474 4.348 20 30 DIEDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000059384342 1050582489 /nfs/dbraw/zinc/58/24/89/1050582489.db2.gz SWFZYTXEOATCKR-QGZVFWFLSA-N 1 0 312.438 4.008 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)cc(Cl)cc1F ZINC001171184374 1050583237 /nfs/dbraw/zinc/58/32/37/1050583237.db2.gz MCTQWXJDKOMTND-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001171185708 1050586134 /nfs/dbraw/zinc/58/61/34/1050586134.db2.gz RMEOOFJRTDYNQH-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000594979872 1050587064 /nfs/dbraw/zinc/58/70/64/1050587064.db2.gz MPOHBVPBGAZFOL-VQIMIIECSA-N 1 0 324.468 4.146 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001171189175 1050588739 /nfs/dbraw/zinc/58/87/39/1050588739.db2.gz CCYJKVTXDKOAJS-BLVKFPJESA-N 1 0 312.363 4.045 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C1CCC(F)CC1 ZINC000594990413 1050590985 /nfs/dbraw/zinc/59/09/85/1050590985.db2.gz QEPDCRAYYQOHOH-NXVRBGIVSA-N 1 0 302.437 4.494 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000595056268 1050592156 /nfs/dbraw/zinc/59/21/56/1050592156.db2.gz TZSUNOQEUPNRQL-LJQANCHMSA-N 1 0 318.420 4.137 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C(F)F)nc1 ZINC000595008058 1050593451 /nfs/dbraw/zinc/59/34/51/1050593451.db2.gz PBHWPPOHYJKKRT-NWDGAFQWSA-N 1 0 301.340 4.303 20 30 DIEDRO CC(C)C[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)c1ccccn1 ZINC001171191730 1050593846 /nfs/dbraw/zinc/59/38/46/1050593846.db2.gz DQHFBTQBTNZPFH-UZLBHIALSA-N 1 0 307.441 4.261 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1cccc(OC)c1 ZINC001171191976 1050594023 /nfs/dbraw/zinc/59/40/23/1050594023.db2.gz JIAQZWLRJJBVFJ-MGPUTAFESA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC001171190031 1050594298 /nfs/dbraw/zinc/59/42/98/1050594298.db2.gz OUMVIDYQBIQDON-CHWSQXEVSA-N 1 0 300.352 4.118 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)c1cccc(OC)c1 ZINC001171191975 1050594466 /nfs/dbraw/zinc/59/44/66/1050594466.db2.gz JIAQZWLRJJBVFJ-FOIQADDNSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCCCCCCCCO ZINC001171190045 1050595133 /nfs/dbraw/zinc/59/51/33/1050595133.db2.gz OYMJJZHTSJALRI-GOSISDBHSA-N 1 0 316.489 4.192 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000595060268 1050595506 /nfs/dbraw/zinc/59/55/06/1050595506.db2.gz LXYNTCCAOZVCKY-ZDUSSCGKSA-N 1 0 316.351 4.053 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(Cl)c(F)cc1F ZINC001171190367 1050595939 /nfs/dbraw/zinc/59/59/39/1050595939.db2.gz SPFZXULIBKRKIK-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC2(c3cccc(F)c3)CC2)cc1 ZINC000740014150 1050597333 /nfs/dbraw/zinc/59/73/33/1050597333.db2.gz NFGVDXNYFZSVBC-UHFFFAOYSA-N 1 0 323.411 4.049 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C(F)F)nc1 ZINC000595029679 1050598063 /nfs/dbraw/zinc/59/80/63/1050598063.db2.gz KCNSYQFDBBXUQK-GFCCVEGCSA-N 1 0 313.351 4.231 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000739929386 1050598065 /nfs/dbraw/zinc/59/80/65/1050598065.db2.gz AOECBXXOQGUGSM-UHFFFAOYSA-N 1 0 324.509 4.312 20 30 DIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595034083 1050600126 /nfs/dbraw/zinc/60/01/26/1050600126.db2.gz UFHRKTPHXNPKAO-FVQBIDKESA-N 1 0 321.262 4.052 20 30 DIEDRO CC(=O)c1ccc([C@H](C)[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171192050 1050600565 /nfs/dbraw/zinc/60/05/65/1050600565.db2.gz JLOZQNJXEFYSLN-CABCVRRESA-N 1 0 306.409 4.043 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](C)c1cccc(F)c1F ZINC001171195229 1050601056 /nfs/dbraw/zinc/60/10/56/1050601056.db2.gz QIBVIXNEBVOXFY-CHWSQXEVSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(F)F)nc1 ZINC000595049041 1050602370 /nfs/dbraw/zinc/60/23/70/1050602370.db2.gz TZYVUUJJASAFCH-MEDUHNTESA-N 1 0 313.351 4.229 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC001171193891 1050604717 /nfs/dbraw/zinc/60/47/17/1050604717.db2.gz DVRGGALAJMNJHG-INIZCTEOSA-N 1 0 322.452 4.456 20 30 DIEDRO CC(C)(C)c1cc(Nc2nc(C(F)(F)F)ccc2C#N)cc[nH+]1 ZINC001213164321 1050605601 /nfs/dbraw/zinc/60/56/01/1050605601.db2.gz NMJFPENDLDTWMT-UHFFFAOYSA-N 1 0 320.318 4.408 20 30 DIEDRO CCCCCCCCCC[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144516080 1050605992 /nfs/dbraw/zinc/60/59/92/1050605992.db2.gz OSYPMVLCUXSINH-UHFFFAOYSA-N 1 0 309.450 4.376 20 30 DIEDRO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccc(C#N)c(F)c1 ZINC000595100467 1050608091 /nfs/dbraw/zinc/60/80/91/1050608091.db2.gz WFOAUYJEDSBNIF-WJFWJRBTSA-N 1 0 308.347 4.316 20 30 DIEDRO CC[C@H]([NH2+]Cc1cc(COC)cs1)c1ccc(C#N)cc1 ZINC000595076066 1050609402 /nfs/dbraw/zinc/60/94/02/1050609402.db2.gz DEIYTAYYJKVWRN-KRWDZBQOSA-N 1 0 300.427 4.007 20 30 DIEDRO N#CC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCCC1 ZINC000595091335 1050610152 /nfs/dbraw/zinc/61/01/52/1050610152.db2.gz PLEZUUSYONYPGZ-UHFFFAOYSA-N 1 0 321.468 4.454 20 30 DIEDRO COc1cc(C)c([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000595092153 1050610876 /nfs/dbraw/zinc/61/08/76/1050610876.db2.gz XVZSVPMSTUPGNU-OAHLLOKOSA-N 1 0 316.445 4.137 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(C)(C)Cc1ccccc1F ZINC001171198388 1050612229 /nfs/dbraw/zinc/61/22/29/1050612229.db2.gz LWMPPVVWOHISSB-MRXNPFEDSA-N 1 0 324.443 4.487 20 30 DIEDRO CC[N@H+](CCc1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000595295694 1050617687 /nfs/dbraw/zinc/61/76/87/1050617687.db2.gz PJDUGHJXVIRACY-MRXNPFEDSA-N 1 0 303.409 4.056 20 30 DIEDRO COc1ccccc1CC(C)(C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171198734 1050617890 /nfs/dbraw/zinc/61/78/90/1050617890.db2.gz OXOQJVZLOCYYHU-MRXNPFEDSA-N 1 0 322.452 4.109 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001171199274 1050618175 /nfs/dbraw/zinc/61/81/75/1050618175.db2.gz XURMINROOJXNAJ-STQMWFEESA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(C)(C)Cc1ccc(F)cc1 ZINC001171198695 1050618755 /nfs/dbraw/zinc/61/87/55/1050618755.db2.gz NZYSGGCJOCHXAG-INIZCTEOSA-N 1 0 324.443 4.487 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(n3ccc4ccccc43)CC2)cc1 ZINC001144578751 1050619204 /nfs/dbraw/zinc/61/92/04/1050619204.db2.gz MVMUDCANEAVSCU-UHFFFAOYSA-N 1 0 314.432 4.460 20 30 DIEDRO C#Cc1ccc(C[N@@H+](C)Cc2cccc(Br)c2)cc1 ZINC001144568253 1050621854 /nfs/dbraw/zinc/62/18/54/1050621854.db2.gz ONQIWSAMMOHUQK-UHFFFAOYSA-N 1 0 314.226 4.062 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H](C)CCCC(C)C)C2 ZINC001170078128 1050622606 /nfs/dbraw/zinc/62/26/06/1050622606.db2.gz QAIVSZKEIMGYAG-UYAOXDASSA-N 1 0 320.521 4.234 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001171200669 1050625716 /nfs/dbraw/zinc/62/57/16/1050625716.db2.gz ACWJUFFVPACEAC-ORYQWCPZSA-N 1 0 304.437 4.415 20 30 DIEDRO N#CC1(c2cccc(Nc3c[nH+]ccc3N3CCCCC3)c2)CC1 ZINC001213318378 1050629411 /nfs/dbraw/zinc/62/94/11/1050629411.db2.gz SQUOBRVAKQMUDR-UHFFFAOYSA-N 1 0 318.424 4.371 20 30 DIEDRO CCCCCCC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000740875912 1050637091 /nfs/dbraw/zinc/63/70/91/1050637091.db2.gz LNRXLQQUGCVKAY-UHFFFAOYSA-N 1 0 308.510 4.118 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000595503895 1050637388 /nfs/dbraw/zinc/63/73/88/1050637388.db2.gz YGXRPBHMBJSVLN-MOPGFXCFSA-N 1 0 300.446 4.216 20 30 DIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000740887575 1050637582 /nfs/dbraw/zinc/63/75/82/1050637582.db2.gz VZNYCZFKDZCYHN-SFHVURJKSA-N 1 0 300.446 4.380 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)CCC2 ZINC001171202342 1050638994 /nfs/dbraw/zinc/63/89/94/1050638994.db2.gz YWTVXVQYOYMOSJ-YCRPNKLZSA-N 1 0 320.436 4.165 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000845975991 1050639454 /nfs/dbraw/zinc/63/94/54/1050639454.db2.gz DJFZKSVWSUNLPN-ARFHVFGLSA-N 1 0 310.482 4.014 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001171204019 1050640096 /nfs/dbraw/zinc/64/00/96/1050640096.db2.gz RFZGIEZRRNVMFD-ZNOIYHFQSA-N 1 0 310.828 4.288 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1nsc2ccccc21 ZINC000595550361 1050642170 /nfs/dbraw/zinc/64/21/70/1050642170.db2.gz PNZFWGOQAIIBJO-CQSZACIVSA-N 1 0 321.449 4.403 20 30 DIEDRO C[NH+](C)[C@@H](CNc1cccc(C(F)F)c1C#N)c1cccs1 ZINC000575098981 1050644838 /nfs/dbraw/zinc/64/48/38/1050644838.db2.gz BENKNBMLFFCHTR-AWEZNQCLSA-N 1 0 321.396 4.272 20 30 DIEDRO C[NH+](C)[C@H](CNc1cccc(C(F)F)c1C#N)c1cccs1 ZINC000575098982 1050645382 /nfs/dbraw/zinc/64/53/82/1050645382.db2.gz BENKNBMLFFCHTR-CQSZACIVSA-N 1 0 321.396 4.272 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000595617935 1050652180 /nfs/dbraw/zinc/65/21/80/1050652180.db2.gz YNKCXJUMUAODSS-UHFFFAOYSA-N 1 0 308.425 4.460 20 30 DIEDRO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613860 1050657738 /nfs/dbraw/zinc/65/77/38/1050657738.db2.gz IOTULOHZCMCNJL-OLZOCXBDSA-N 1 0 312.335 4.272 20 30 DIEDRO C[NH2+]Cc1ccc2c(ccn2[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171208829 1050659573 /nfs/dbraw/zinc/65/95/73/1050659573.db2.gz FNIUWVZPJSQOPJ-OAHLLOKOSA-N 1 0 303.409 4.036 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1F ZINC000595686445 1050660684 /nfs/dbraw/zinc/66/06/84/1050660684.db2.gz ZZPDEWYMOIXWNQ-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1F ZINC000595689911 1050660863 /nfs/dbraw/zinc/66/08/63/1050660863.db2.gz FPENMTOZLWVAIM-SFHVURJKSA-N 1 0 300.352 4.323 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000846060179 1050663285 /nfs/dbraw/zinc/66/32/85/1050663285.db2.gz ZFDAAXOTAQMXKN-QRQLOZEOSA-N 1 0 302.462 4.416 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593117866 1050665325 /nfs/dbraw/zinc/66/53/25/1050665325.db2.gz OAUISBNWNYZNMS-IBGZPJMESA-N 1 0 324.374 4.456 20 30 DIEDRO N#Cc1cccc(C2([NH2+]CCC3CCCCC3)CCOCC2)c1 ZINC000595764673 1050666351 /nfs/dbraw/zinc/66/63/51/1050666351.db2.gz KYJKROJTHQEVCG-UHFFFAOYSA-N 1 0 312.457 4.124 20 30 DIEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCCCC(C)(C)C#N)C12CCC2 ZINC000595777948 1050670162 /nfs/dbraw/zinc/67/01/62/1050670162.db2.gz MMQFUBZWZSUWDW-JKSUJKDBSA-N 1 0 306.494 4.422 20 30 DIEDRO C[C@]1(C#N)CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000595840858 1050670696 /nfs/dbraw/zinc/67/06/96/1050670696.db2.gz QDEQRCAAZJUUTC-HXUWFJFHSA-N 1 0 324.399 4.140 20 30 DIEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593124949 1050672446 /nfs/dbraw/zinc/67/24/46/1050672446.db2.gz MYGMNMRYKNLVQD-ACRUOGEOSA-N 1 0 318.420 4.053 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000761146829 1050677198 /nfs/dbraw/zinc/67/71/98/1050677198.db2.gz QIMXSBQVBBRQCX-UHFFFAOYSA-N 1 0 308.510 4.214 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1O ZINC000846169607 1050680814 /nfs/dbraw/zinc/68/08/14/1050680814.db2.gz IIIILJYZEPHZRJ-CRAIPNDOSA-N 1 0 324.424 4.487 20 30 DIEDRO CC[C@@H](/[NH+]=C/c1ccc(N(CC)CC)cc1O)c1ccncc1 ZINC000741466520 1050683401 /nfs/dbraw/zinc/68/34/01/1050683401.db2.gz UNIQDVNRBIVMRK-ALDSOSFCSA-N 1 0 311.429 4.204 20 30 DIEDRO C=CCC[C@@H](C)OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000772719884 1050686767 /nfs/dbraw/zinc/68/67/67/1050686767.db2.gz YGEWYKZMIMLXGP-QGZVFWFLSA-N 1 0 315.457 4.187 20 30 DIEDRO Cc1cc(N=NC2CC[N@H+](C)[C@@H](C)C2)nc2ccc(Cl)cc12 ZINC000741456272 1050687040 /nfs/dbraw/zinc/68/70/40/1050687040.db2.gz QZYVPLZRYJFTSI-LBPRGKRZSA-N 1 0 316.836 4.079 20 30 DIEDRO CC[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000596118236 1050687666 /nfs/dbraw/zinc/68/76/66/1050687666.db2.gz UCUGFFATLVRKHC-INIZCTEOSA-N 1 0 319.330 4.213 20 30 DIEDRO C[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc(C#N)c(F)c1 ZINC000846215176 1050695278 /nfs/dbraw/zinc/69/52/78/1050695278.db2.gz MTFBVIPTSCGEIU-GWCFXTLKSA-N 1 0 315.219 4.322 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220544 1050706031 /nfs/dbraw/zinc/70/60/31/1050706031.db2.gz BVKQHYRDUKIALB-HRAATJIYSA-N 1 0 320.436 4.335 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220545 1050707776 /nfs/dbraw/zinc/70/77/76/1050707776.db2.gz BVKQHYRDUKIALB-IERDGZPVSA-N 1 0 320.436 4.335 20 30 DIEDRO C#CCC1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCCCC1 ZINC000788583184 1050709535 /nfs/dbraw/zinc/70/95/35/1050709535.db2.gz OWEPXGHPEGDKNZ-UHFFFAOYSA-N 1 0 324.468 4.195 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001171220704 1050711191 /nfs/dbraw/zinc/71/11/91/1050711191.db2.gz DQRBMRFXAKRSJT-LAUBAEHRSA-N 1 0 320.436 4.033 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001171221214 1050711741 /nfs/dbraw/zinc/71/17/41/1050711741.db2.gz JCXQJOBDGYVKSP-LAUBAEHRSA-N 1 0 304.437 4.054 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220742 1050712053 /nfs/dbraw/zinc/71/20/53/1050712053.db2.gz BNZFYXNDSYCCFM-JKSUJKDBSA-N 1 0 308.425 4.191 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1cccc2cccnc21 ZINC001171221438 1050712414 /nfs/dbraw/zinc/71/24/14/1050712414.db2.gz NIULGDJQZJFPRQ-MRXNPFEDSA-N 1 0 315.420 4.169 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CC=C(C)CC2)cc(OC)c1OC ZINC000788643582 1050712577 /nfs/dbraw/zinc/71/25/77/1050712577.db2.gz GMQLQIWKMSQWKM-KRWDZBQOSA-N 1 0 301.430 4.021 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2cccs2)CC1 ZINC001171221665 1050714037 /nfs/dbraw/zinc/71/40/37/1050714037.db2.gz RPUXPNXWWJMBFO-HNNXBMFYSA-N 1 0 310.466 4.430 20 30 DIEDRO C#CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001171222352 1050714410 /nfs/dbraw/zinc/71/44/10/1050714410.db2.gz GFPAKKSAZJVUFF-HTAPYJJXSA-N 1 0 314.432 4.112 20 30 DIEDRO C=CCCCCCCCCC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001144798225 1050715610 /nfs/dbraw/zinc/71/56/10/1050715610.db2.gz GUEIPSIODUNQGW-LDLYASANSA-N 1 0 320.521 4.425 20 30 DIEDRO C=CCCCCCCCCC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001144797794 1050716015 /nfs/dbraw/zinc/71/60/15/1050716015.db2.gz NVTCANQGEHODNT-GOSISDBHSA-N 1 0 308.510 4.234 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171225232 1050721035 /nfs/dbraw/zinc/72/10/35/1050721035.db2.gz YYIJQRFUGOUBNU-INIZCTEOSA-N 1 0 308.425 4.020 20 30 DIEDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171228638 1050723310 /nfs/dbraw/zinc/72/33/10/1050723310.db2.gz HNGYYHFIUPPILK-SJORKVTESA-N 1 0 322.452 4.061 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@H+]2[C@H](C)Cc2cccc(C#N)c2)cn1 ZINC001171228194 1050723772 /nfs/dbraw/zinc/72/37/72/1050723772.db2.gz FCVKZXJKZLDGDP-UZLBHIALSA-N 1 0 305.425 4.030 20 30 DIEDRO COc1cccc(CCC[N@H+](C)[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171229433 1050724678 /nfs/dbraw/zinc/72/46/78/1050724678.db2.gz NKAPOEVWUKZJJM-KRWDZBQOSA-N 1 0 322.452 4.062 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001171229375 1050725997 /nfs/dbraw/zinc/72/59/97/1050725997.db2.gz MXOHNTSNUKNLSI-LZQZEXGQSA-N 1 0 302.421 4.076 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccccc1C ZINC000741774730 1050739106 /nfs/dbraw/zinc/73/91/06/1050739106.db2.gz ZYKYZHXHEUMACN-MRXNPFEDSA-N 1 0 321.873 4.432 20 30 DIEDRO N#Cc1c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1C(F)F ZINC000596570013 1050745902 /nfs/dbraw/zinc/74/59/02/1050745902.db2.gz GOBBRZCYMAIRGS-AWEZNQCLSA-N 1 0 319.399 4.030 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596594854 1050750211 /nfs/dbraw/zinc/75/02/11/1050750211.db2.gz WPJISYQTXBXSQF-LJQANCHMSA-N 1 0 319.452 4.466 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(Cl)c(F)c1 ZINC000846772944 1050754111 /nfs/dbraw/zinc/75/41/11/1050754111.db2.gz VMCGVNOZVBQYAF-UHFFFAOYSA-N 1 0 317.795 4.158 20 30 DIEDRO COc1ccc(-c2ccc(F)c(C[NH+](C)C)c2)cc1C1(C#N)CC1 ZINC000596647034 1050763748 /nfs/dbraw/zinc/76/37/48/1050763748.db2.gz VMDZVMUUHVNSIT-UHFFFAOYSA-N 1 0 324.399 4.118 20 30 DIEDRO CC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000846949569 1050789375 /nfs/dbraw/zinc/78/93/75/1050789375.db2.gz IWLNCJYFUAGTLA-UHFFFAOYSA-N 1 0 318.420 4.026 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000597073157 1050803466 /nfs/dbraw/zinc/80/34/66/1050803466.db2.gz FMHCYDZVGRLDHM-UHFFFAOYSA-N 1 0 306.453 4.300 20 30 DIEDRO Cc1ncsc1-c1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000597079582 1050805709 /nfs/dbraw/zinc/80/57/09/1050805709.db2.gz DYUXCAMBBPQHBW-UHFFFAOYSA-N 1 0 311.454 4.244 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(C)(C)C#N ZINC000597083207 1050805946 /nfs/dbraw/zinc/80/59/46/1050805946.db2.gz PUXZPICLLDWXGL-JTQLQIEISA-N 1 0 318.770 4.429 20 30 DIEDRO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088523 1050807173 /nfs/dbraw/zinc/80/71/73/1050807173.db2.gz OZVXAYGDGGJOPY-BBRMVZONSA-N 1 0 322.374 4.405 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CCC(c4ccncc4)CC3)cc2)CC1 ZINC000597127064 1050809850 /nfs/dbraw/zinc/80/98/50/1050809850.db2.gz KIKBIKWRHKCJMF-UHFFFAOYSA-N 1 0 317.436 4.016 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000772965621 1050812106 /nfs/dbraw/zinc/81/21/06/1050812106.db2.gz QJNZSKCRJXRARS-HOTGVXAUSA-N 1 0 315.379 4.463 20 30 DIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(C#N)CCC1 ZINC000597154446 1050814926 /nfs/dbraw/zinc/81/49/26/1050814926.db2.gz QOQBZQTXJMVOLM-OAHLLOKOSA-N 1 0 321.262 4.054 20 30 DIEDRO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)ccc3ccccc32)n1 ZINC000789333011 1050817561 /nfs/dbraw/zinc/81/75/61/1050817561.db2.gz ZSXYSDDQEOIYOP-UHFFFAOYSA-N 1 0 317.436 4.000 20 30 DIEDRO N#CCC1C[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000597194125 1050817933 /nfs/dbraw/zinc/81/79/33/1050817933.db2.gz NUNSIZALEXOEJN-UHFFFAOYSA-N 1 0 302.830 4.414 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477358 1050818624 /nfs/dbraw/zinc/81/86/24/1050818624.db2.gz QCZQNGHZTALVBP-AWEZNQCLSA-N 1 0 307.372 4.152 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CCC(c4ccco4)CC3)cc2)CC1 ZINC000597179754 1050820387 /nfs/dbraw/zinc/82/03/87/1050820387.db2.gz LHPNNPOYSXBQFH-UHFFFAOYSA-N 1 0 306.409 4.214 20 30 DIEDRO CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000742369891 1050820894 /nfs/dbraw/zinc/82/08/94/1050820894.db2.gz ZTJQLKGGJCEHMT-IBGZPJMESA-N 1 0 308.425 4.068 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)cc1C#N ZINC000742368196 1050821861 /nfs/dbraw/zinc/82/18/61/1050821861.db2.gz YSPVOVXULSPPDX-VQTJNVASSA-N 1 0 320.436 4.383 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1C#N ZINC000742368403 1050821962 /nfs/dbraw/zinc/82/19/62/1050821962.db2.gz GTPQCJNOFCGVFJ-IBGZPJMESA-N 1 0 306.409 4.124 20 30 DIEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000597183300 1050822070 /nfs/dbraw/zinc/82/20/70/1050822070.db2.gz GYPZQERCVWRPFS-UHFFFAOYSA-N 1 0 324.472 4.152 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(F)ccc2C1)c1cccc(C#N)c1 ZINC001168410944 1050824216 /nfs/dbraw/zinc/82/42/16/1050824216.db2.gz FHUPYKQVQHZKKQ-VQTJNVASSA-N 1 0 308.400 4.296 20 30 DIEDRO C#CCCC[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000742383024 1050825273 /nfs/dbraw/zinc/82/52/73/1050825273.db2.gz RUNUFXITSUHZFK-UHFFFAOYSA-N 1 0 315.848 4.152 20 30 DIEDRO C#CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000742383303 1050827148 /nfs/dbraw/zinc/82/71/48/1050827148.db2.gz YNEJUHUGOYJLBF-UHFFFAOYSA-N 1 0 321.449 4.104 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC[C@@H](SC)C2)ccc1OC ZINC000742383575 1050828111 /nfs/dbraw/zinc/82/81/11/1050828111.db2.gz QJOUPTHKMXUQDC-JKSUJKDBSA-N 1 0 321.486 4.024 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc(C#N)cc1 ZINC000593323612 1050831446 /nfs/dbraw/zinc/83/14/46/1050831446.db2.gz RFIXQHRPSZFCQJ-HNAYVOBHSA-N 1 0 305.425 4.026 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)cc1C#N ZINC000742369812 1050832966 /nfs/dbraw/zinc/83/29/66/1050832966.db2.gz VKLXHDYUMGTLCB-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1C#N ZINC000742374198 1050835309 /nfs/dbraw/zinc/83/53/09/1050835309.db2.gz QBVSWVNZRFZZTJ-RTBURBONSA-N 1 0 324.399 4.132 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000742378370 1050837525 /nfs/dbraw/zinc/83/75/25/1050837525.db2.gz GTIYREFSZFEJDE-GUDVDZBRSA-N 1 0 311.473 4.095 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1C#N)[C@@H]1CC1(C)C ZINC001171286674 1050843980 /nfs/dbraw/zinc/84/39/80/1050843980.db2.gz JGRDWCFCMXOWAC-GJZGRUSLSA-N 1 0 321.262 4.235 20 30 DIEDRO C#CCCC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000789554431 1050849685 /nfs/dbraw/zinc/84/96/85/1050849685.db2.gz HWSNVULYPOTECV-GOSISDBHSA-N 1 0 311.404 4.156 20 30 DIEDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1(C)C ZINC001170116493 1050877212 /nfs/dbraw/zinc/87/72/12/1050877212.db2.gz GHHYKIIBIZWUNV-BMGDILEWSA-N 1 0 300.446 4.193 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(-n2c(CC[NH3+])cc3ccccc32)cc1 ZINC001171304317 1050881037 /nfs/dbraw/zinc/88/10/37/1050881037.db2.gz HIXDCMFWSQKUBJ-HXUWFJFHSA-N 1 0 317.436 4.395 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)CC2CCCC2)c1 ZINC000772984238 1050899826 /nfs/dbraw/zinc/89/98/26/1050899826.db2.gz OCXOPRIKKDPGPP-QAPCUYQASA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(C)nc2C)c1 ZINC000772985287 1050911190 /nfs/dbraw/zinc/91/11/90/1050911190.db2.gz WFFYHUDTTRYZIX-CRAIPNDOSA-N 1 0 323.440 4.230 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC001203478870 1050912184 /nfs/dbraw/zinc/91/21/84/1050912184.db2.gz LUTOLYXJVMOOSL-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)Cc2ccccc2)c1 ZINC000772985067 1050918653 /nfs/dbraw/zinc/91/86/53/1050918653.db2.gz QCEPYDPMSKNJDL-PMACEKPBSA-N 1 0 322.452 4.478 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2CC)ccc1OC ZINC000772986565 1050918844 /nfs/dbraw/zinc/91/88/44/1050918844.db2.gz ORPQETBPPBLZAP-BRWVUGGUSA-N 1 0 316.445 4.044 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000772987508 1050921077 /nfs/dbraw/zinc/92/10/77/1050921077.db2.gz JDQKWCZFTTZMLF-ZDUSSCGKSA-N 1 0 317.791 4.342 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000772987239 1050922571 /nfs/dbraw/zinc/92/25/71/1050922571.db2.gz HPHWYGXUOBGLLO-IBGZPJMESA-N 1 0 321.420 4.011 20 30 DIEDRO CCCCCCCC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000790240195 1050929905 /nfs/dbraw/zinc/92/99/05/1050929905.db2.gz GROHYBTZIOIVJX-QGZVFWFLSA-N 1 0 318.461 4.371 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000772988924 1050933600 /nfs/dbraw/zinc/93/36/00/1050933600.db2.gz UDPNVMXJSRFCEW-AWEZNQCLSA-N 1 0 322.433 4.159 20 30 DIEDRO C=CCCC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000790494369 1050964826 /nfs/dbraw/zinc/96/48/26/1050964826.db2.gz CXQLTICHIIQGAY-UHFFFAOYSA-N 1 0 301.474 4.496 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CCC3)C2)c(Br)c1 ZINC000348170767 1050997497 /nfs/dbraw/zinc/99/74/97/1050997497.db2.gz SJZVJQVBNRRPEW-UHFFFAOYSA-N 1 0 319.246 4.087 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3CCc4c(F)cc(F)cc4C3)(CC1)CC2 ZINC001171346357 1051008032 /nfs/dbraw/zinc/00/80/32/1051008032.db2.gz RGOXYJCPYQYFNF-MNNVXMFVSA-N 1 0 316.395 4.028 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743261190 1051008485 /nfs/dbraw/zinc/00/84/85/1051008485.db2.gz KRCWVGHCKNRSIT-SFHVURJKSA-N 1 0 301.817 4.062 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000790980628 1051019101 /nfs/dbraw/zinc/01/91/01/1051019101.db2.gz PDGDIXCQDLTPNA-NRFANRHFSA-N 1 0 305.421 4.330 20 30 DIEDRO C#CCSCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000773010013 1051020582 /nfs/dbraw/zinc/02/05/82/1051020582.db2.gz FTLGWXPCIVZBNN-CYBMUJFWSA-N 1 0 316.495 4.136 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1nc(NC2CC2)cc(C)[nH+]1 ZINC001171370233 1051021450 /nfs/dbraw/zinc/02/14/50/1051021450.db2.gz UJBRQYKRNCJLBG-CQSZACIVSA-N 1 0 324.428 4.097 20 30 DIEDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCOc2ccccc2C#N)C1 ZINC001170147609 1051022224 /nfs/dbraw/zinc/02/22/24/1051022224.db2.gz ABGGWULDPXQWDH-XLIONFOSSA-N 1 0 320.436 4.410 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)cc1 ZINC000755222466 1051025560 /nfs/dbraw/zinc/02/55/60/1051025560.db2.gz GTRJUCGDBSLHFQ-AWEZNQCLSA-N 1 0 313.363 4.299 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000773019223 1051026983 /nfs/dbraw/zinc/02/69/83/1051026983.db2.gz XSCQFKZGNCPDHB-ROUUACIJSA-N 1 0 317.379 4.295 20 30 DIEDRO C[C@H]1CC[C@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001170148087 1051027043 /nfs/dbraw/zinc/02/70/43/1051027043.db2.gz FZDXGVKFYBZGSH-ZFWWWQNUSA-N 1 0 318.848 4.243 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cccc2c1C[NH2+]CC2 ZINC001171373056 1051030612 /nfs/dbraw/zinc/03/06/12/1051030612.db2.gz COGFZAOOZKIMMT-OAHLLOKOSA-N 1 0 308.425 4.070 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(F)c2)c1 ZINC000743477684 1051032982 /nfs/dbraw/zinc/03/29/82/1051032982.db2.gz UJNUJNZZQLTUHP-KDOFPFPSSA-N 1 0 312.388 4.357 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400444991 1051042498 /nfs/dbraw/zinc/04/24/98/1051042498.db2.gz NIVHNQZBXBIDPA-OAHLLOKOSA-N 1 0 324.509 4.214 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001171376307 1051043069 /nfs/dbraw/zinc/04/30/69/1051043069.db2.gz SLCFPZWWKSLRNP-KDOFPFPSSA-N 1 0 308.425 4.371 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000773108480 1051064452 /nfs/dbraw/zinc/06/44/52/1051064452.db2.gz YYBIMRPZWFPTFW-PXNSSMCTSA-N 1 0 320.436 4.066 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)c1ccccc1 ZINC000773116499 1051064464 /nfs/dbraw/zinc/06/44/64/1051064464.db2.gz RVNFHKIDEWBGJN-HNAYVOBHSA-N 1 0 310.416 4.307 20 30 DIEDRO C#CC[C@H](NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000773117239 1051066885 /nfs/dbraw/zinc/06/68/85/1051066885.db2.gz UJMZWBJEKKKKNS-NYVOZVTQSA-N 1 0 324.512 4.384 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCCc2ccc(OC)cc21)c1ccccc1 ZINC000773114272 1051067728 /nfs/dbraw/zinc/06/77/28/1051067728.db2.gz HZKRPJNFLLAYAL-LEWJYISDSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCCc2ccc(OC)cc21)c1ccccc1 ZINC000773114279 1051069039 /nfs/dbraw/zinc/06/90/39/1051069039.db2.gz HZKRPJNFLLAYAL-SFTDATJTSA-N 1 0 305.421 4.427 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000743856467 1051078505 /nfs/dbraw/zinc/07/85/05/1051078505.db2.gz CIGOAZXULGBRJG-FQEVSTJZSA-N 1 0 322.452 4.351 20 30 DIEDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC000743872201 1051086597 /nfs/dbraw/zinc/08/65/97/1051086597.db2.gz QRSIZXCIHXJROS-BEFAXECRSA-N 1 0 324.424 4.464 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H](c2ccco2)C1 ZINC000743876394 1051087939 /nfs/dbraw/zinc/08/79/39/1051087939.db2.gz ZNCPVVFKAYXWFD-MAUKXSAKSA-N 1 0 310.397 4.155 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2c(F)cccc2C1)c1cccc(C#N)c1 ZINC001171410708 1051099324 /nfs/dbraw/zinc/09/93/24/1051099324.db2.gz WTDJBAGNOAACTK-YLJYHZDGSA-N 1 0 308.400 4.296 20 30 DIEDRO CCCC[N@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H](C)CC ZINC000744136699 1051120661 /nfs/dbraw/zinc/12/06/61/1051120661.db2.gz BQDOTDDKBXLVEK-MRXNPFEDSA-N 1 0 310.445 4.280 20 30 DIEDRO C#CCCCCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000773290242 1051127594 /nfs/dbraw/zinc/12/75/94/1051127594.db2.gz GGROMCUCKSWDCK-UHFFFAOYSA-N 1 0 312.457 4.195 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1C)c1ccccc1 ZINC000792273241 1051133074 /nfs/dbraw/zinc/13/30/74/1051133074.db2.gz TWILAMRAADPTNT-OAQYLSRUSA-N 1 0 315.420 4.035 20 30 DIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC001171488980 1051144100 /nfs/dbraw/zinc/14/41/00/1051144100.db2.gz BNADXGQKMJERKW-CQSZACIVSA-N 1 0 314.429 4.185 20 30 DIEDRO C=C(C)C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC001170184992 1051147668 /nfs/dbraw/zinc/14/76/68/1051147668.db2.gz RRFLEYMFNVXSDF-UHFFFAOYSA-N 1 0 319.832 4.046 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CC2)cc1 ZINC001171660340 1051185260 /nfs/dbraw/zinc/18/52/60/1051185260.db2.gz JQOJZPZBAMRVQV-QGZVFWFLSA-N 1 0 304.437 4.467 20 30 DIEDRO Cc1ccc(CC[C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC001171664204 1051185355 /nfs/dbraw/zinc/18/53/55/1051185355.db2.gz UEXMLOWPINEOJZ-GOSISDBHSA-N 1 0 322.452 4.247 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccncc1 ZINC001170355671 1051186993 /nfs/dbraw/zinc/18/69/93/1051186993.db2.gz OMYXOZDZSBNFDK-PBPGXSGUSA-N 1 0 305.425 4.136 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC001170362304 1051191559 /nfs/dbraw/zinc/19/15/59/1051191559.db2.gz VSAPCCQLBPXJRO-OBXNSHGQSA-N 1 0 317.436 4.063 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(N)cc1 ZINC001170369228 1051193805 /nfs/dbraw/zinc/19/38/05/1051193805.db2.gz URHJRCSBVAYHTB-ATIQYGATSA-N 1 0 319.452 4.324 20 30 DIEDRO CCCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000744748124 1051197597 /nfs/dbraw/zinc/19/75/97/1051197597.db2.gz CUWZKBFOPOXARX-MSOLQXFVSA-N 1 0 308.510 4.211 20 30 DIEDRO C[C@@]1(F)CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@H]1F ZINC001170379167 1051199258 /nfs/dbraw/zinc/19/92/58/1051199258.db2.gz RVYIJYVJSOETSG-QGLXBCBXSA-N 1 0 318.411 4.163 20 30 DIEDRO C[N@H+](C1CC(F)(F)C1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170379209 1051199629 /nfs/dbraw/zinc/19/96/29/1051199629.db2.gz TTYHUGXOLBZAHH-UHFFFAOYSA-N 1 0 304.384 4.120 20 30 DIEDRO CC1(F)CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170378570 1051199727 /nfs/dbraw/zinc/19/97/27/1051199727.db2.gz DYRXFZKKEBXHBM-UHFFFAOYSA-N 1 0 300.421 4.215 20 30 DIEDRO N#CCC1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCC1 ZINC001170375623 1051200058 /nfs/dbraw/zinc/20/00/58/1051200058.db2.gz AXWOGKKTGIGGGG-UHFFFAOYSA-N 1 0 307.441 4.207 20 30 DIEDRO C=C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1 ZINC001171740685 1051215217 /nfs/dbraw/zinc/21/52/17/1051215217.db2.gz KVOXWLXQFGZZDK-DUXKGJEZSA-N 1 0 306.453 4.166 20 30 DIEDRO C=C(C)CN(CCC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC001171799851 1051223752 /nfs/dbraw/zinc/22/37/52/1051223752.db2.gz TZFLKLZRISQKJE-UHFFFAOYSA-N 1 0 308.897 4.450 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001171847046 1051230622 /nfs/dbraw/zinc/23/06/22/1051230622.db2.gz HKUYURVOHVKFCI-UTKZUKDTSA-N 1 0 309.453 4.031 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC001171841326 1051231460 /nfs/dbraw/zinc/23/14/60/1051231460.db2.gz MVSPNQLVVYGMHY-ZDUSSCGKSA-N 1 0 318.367 4.408 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccc(CC#N)cc2)CCc2ccccc21 ZINC001171905934 1051236641 /nfs/dbraw/zinc/23/66/41/1051236641.db2.gz DKMZLDVGBJZRLC-UHFFFAOYSA-N 1 0 304.437 4.089 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001171920747 1051241169 /nfs/dbraw/zinc/24/11/69/1051241169.db2.gz MLOHSUDNTBAFTD-ZFWWWQNUSA-N 1 0 308.809 4.473 20 30 DIEDRO C[C@H](NN=C1CCC([N@H+](C)Cc2ccccc2)CC1)C(C)(C)C ZINC000793112867 1051247686 /nfs/dbraw/zinc/24/76/86/1051247686.db2.gz XZGFIFYWLWPZMG-UCFFOFKASA-N 1 0 315.505 4.441 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC001171973011 1051262945 /nfs/dbraw/zinc/26/29/45/1051262945.db2.gz DUMGXZGSVCEABX-CYBMUJFWSA-N 1 0 310.363 4.262 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001171973633 1051262960 /nfs/dbraw/zinc/26/29/60/1051262960.db2.gz LVGBQFAORDBXIO-ZFWWWQNUSA-N 1 0 310.363 4.262 20 30 DIEDRO CCC(C#N)(CC)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978733 1051269314 /nfs/dbraw/zinc/26/93/14/1051269314.db2.gz LHTYEBQMUVYBLU-SFHVURJKSA-N 1 0 313.489 4.102 20 30 DIEDRO CC(C)C1=[NH+]CCc2ccc(NCC#Cc3ccccc3)cc21 ZINC001170429243 1051276973 /nfs/dbraw/zinc/27/69/73/1051276973.db2.gz BZIXBKLWJQOIPD-UHFFFAOYSA-N 1 0 302.421 4.151 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000793309931 1051277407 /nfs/dbraw/zinc/27/74/07/1051277407.db2.gz UHLVGLZYWUAELL-NRFANRHFSA-N 1 0 323.411 4.395 20 30 DIEDRO C=C[C@@H]([NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC001170429850 1051284273 /nfs/dbraw/zinc/28/42/73/1051284273.db2.gz WPRIBLSCSPKIPY-ZWKOTPCHSA-N 1 0 309.409 4.253 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)cc1 ZINC000793369109 1051290838 /nfs/dbraw/zinc/29/08/38/1051290838.db2.gz CIQKGVQMGKTURL-NVXWUHKLSA-N 1 0 300.446 4.236 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000793515718 1051305079 /nfs/dbraw/zinc/30/50/79/1051305079.db2.gz IWCBORQGXYEAOW-DLBZAZTESA-N 1 0 312.461 4.443 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000793520807 1051307665 /nfs/dbraw/zinc/30/76/65/1051307665.db2.gz JOEKHKFAQONULA-GOSISDBHSA-N 1 0 315.505 4.161 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000746047887 1051310345 /nfs/dbraw/zinc/31/03/45/1051310345.db2.gz SKFUVBIGDOPMIX-PBHICJAKSA-N 1 0 312.413 4.067 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000746047889 1051310595 /nfs/dbraw/zinc/31/05/95/1051310595.db2.gz SKFUVBIGDOPMIX-WMLDXEAASA-N 1 0 312.413 4.067 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1nc2c(cccc2F)n1C ZINC000793537806 1051313918 /nfs/dbraw/zinc/31/39/18/1051313918.db2.gz BFZIRWMJWIFROD-OAHLLOKOSA-N 1 0 317.452 4.370 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cnc(OC)c(Cl)c1)c1ccncc1 ZINC000793542948 1051313973 /nfs/dbraw/zinc/31/39/73/1051313973.db2.gz SGPMELSMZTVURR-LRDDRELGSA-N 1 0 317.820 4.107 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000793540267 1051314173 /nfs/dbraw/zinc/31/41/73/1051314173.db2.gz LQFCQTUSQWAVIS-OAHLLOKOSA-N 1 0 317.452 4.370 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000793555730 1051319109 /nfs/dbraw/zinc/31/91/09/1051319109.db2.gz CBPBKSXNWHQWSQ-SJLPKXTDSA-N 1 0 303.494 4.436 20 30 DIEDRO N#Cc1sccc1Nc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001215711328 1051319111 /nfs/dbraw/zinc/31/91/11/1051319111.db2.gz NRAZDBHNSBSEJY-UHFFFAOYSA-N 1 0 315.417 4.488 20 30 DIEDRO Cc1nc(C#N)ccc1Nc1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001215711832 1051320004 /nfs/dbraw/zinc/32/00/04/1051320004.db2.gz YQBYARPKGIUUIZ-UHFFFAOYSA-N 1 0 324.403 4.130 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000793586054 1051323874 /nfs/dbraw/zinc/32/38/74/1051323874.db2.gz DXNQAZMMPCLAJS-CYBMUJFWSA-N 1 0 316.405 4.086 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(Nc2c(C#N)cccc2C#N)c1 ZINC001215725849 1051324635 /nfs/dbraw/zinc/32/46/35/1051324635.db2.gz OHRQDZLNVMMHHS-UHFFFAOYSA-N 1 0 322.387 4.154 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc2sccc2c1 ZINC001172302391 1051331699 /nfs/dbraw/zinc/33/16/99/1051331699.db2.gz JMBJKQHLGHERAU-CQSZACIVSA-N 1 0 306.434 4.494 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001172300493 1051332149 /nfs/dbraw/zinc/33/21/49/1051332149.db2.gz WKTCYDYNGMIBQZ-INIZCTEOSA-N 1 0 322.452 4.456 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(F)c1Cl ZINC001172302114 1051332284 /nfs/dbraw/zinc/33/22/84/1051332284.db2.gz DOLNYBDTJZTSPW-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC001172300612 1051332461 /nfs/dbraw/zinc/33/24/61/1051332461.db2.gz YJFYRJIPFRDDLE-QGZVFWFLSA-N 1 0 304.437 4.102 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1cc(F)cc(F)c1 ZINC001172301890 1051332566 /nfs/dbraw/zinc/33/25/66/1051332566.db2.gz YYILPXXQVFPSID-QWHCGFSZSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001172307267 1051333577 /nfs/dbraw/zinc/33/35/77/1051333577.db2.gz NMKVMXLXTVDWOG-MGPUTAFESA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(Cl)s1 ZINC001172304104 1051333620 /nfs/dbraw/zinc/33/36/20/1051333620.db2.gz HAHNDJCLQZJYSX-LBPRGKRZSA-N 1 0 304.846 4.036 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172302960 1051334073 /nfs/dbraw/zinc/33/40/73/1051334073.db2.gz UKAIHIYBBGHSFQ-KRWDZBQOSA-N 1 0 322.452 4.109 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001172311192 1051334955 /nfs/dbraw/zinc/33/49/55/1051334955.db2.gz QPKPCGJGMUCQIO-MRXNPFEDSA-N 1 0 304.437 4.283 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001172308280 1051335171 /nfs/dbraw/zinc/33/51/71/1051335171.db2.gz JMIREXSPKJVEQH-CYBMUJFWSA-N 1 0 313.832 4.063 20 30 DIEDRO CC[N@H+](Cc1cccc(OC)c1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172310736 1051335412 /nfs/dbraw/zinc/33/54/12/1051335412.db2.gz IZVLXGBELGRICH-MRXNPFEDSA-N 1 0 308.425 4.020 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCc2ccccc2CC1 ZINC001172308392 1051335525 /nfs/dbraw/zinc/33/55/25/1051335525.db2.gz JZOYJJHYAZMDMR-INIZCTEOSA-N 1 0 304.437 4.026 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCc2ccccc2CC1 ZINC001172308402 1051336356 /nfs/dbraw/zinc/33/63/56/1051336356.db2.gz JZOYJJHYAZMDMR-MRXNPFEDSA-N 1 0 304.437 4.026 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001172311685 1051337869 /nfs/dbraw/zinc/33/78/69/1051337869.db2.gz VXKMJEXHOLEJHX-KRWDZBQOSA-N 1 0 306.453 4.442 20 30 DIEDRO C[NH2+]CCc1cn([C@@H](C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC001172311715 1051338522 /nfs/dbraw/zinc/33/85/22/1051338522.db2.gz WLHRUMCSLONXLW-INIZCTEOSA-N 1 0 317.436 4.079 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001172319559 1051339416 /nfs/dbraw/zinc/33/94/16/1051339416.db2.gz OQWGMHNYNCFVGA-KXBFYZLASA-N 1 0 308.400 4.118 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001172318793 1051339577 /nfs/dbraw/zinc/33/95/77/1051339577.db2.gz IUHWWACXZODTSQ-KXBFYZLASA-N 1 0 308.400 4.118 20 30 DIEDRO COc1ccc(C#N)cc1Nc1ccc(C[NH2+]CC(C)C)cc1 ZINC001215746274 1051340913 /nfs/dbraw/zinc/34/09/13/1051340913.db2.gz ISFKHDJAAHJGBK-UHFFFAOYSA-N 1 0 309.413 4.056 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001172292491 1051346940 /nfs/dbraw/zinc/34/69/40/1051346940.db2.gz PJTCBFMNZLDUKI-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)ccc1Cl ZINC001172292120 1051346954 /nfs/dbraw/zinc/34/69/54/1051346954.db2.gz CXESBQDRXGTVQF-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCc1ccc(Cl)cc1 ZINC001172290250 1051347414 /nfs/dbraw/zinc/34/74/14/1051347414.db2.gz NRZRKABCMXTLBV-OAHLLOKOSA-N 1 0 312.844 4.365 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001172289566 1051347548 /nfs/dbraw/zinc/34/75/48/1051347548.db2.gz FLXCELXSXPZSQL-ZDUSSCGKSA-N 1 0 323.827 4.429 20 30 DIEDRO C[C@@H]([NH3+])Cc1cn([C@@H](C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC001172296204 1051348666 /nfs/dbraw/zinc/34/86/66/1051348666.db2.gz GHRVOHFREIFMHK-CVEARBPZSA-N 1 0 317.436 4.206 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)c(Cl)c1F ZINC001172296543 1051349733 /nfs/dbraw/zinc/34/97/33/1051349733.db2.gz AQPAGAUYKRDKJQ-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO CC(C)c1ccc(CC[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172299607 1051350737 /nfs/dbraw/zinc/35/07/37/1051350737.db2.gz MJLNHSRJABQSQF-KRWDZBQOSA-N 1 0 306.453 4.445 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC(C)(C)Cc1cccc(F)c1 ZINC001172299291 1051350782 /nfs/dbraw/zinc/35/07/82/1051350782.db2.gz JKCGFUXPCSCDPH-INIZCTEOSA-N 1 0 324.443 4.487 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC001172298606 1051350885 /nfs/dbraw/zinc/35/08/85/1051350885.db2.gz YZYGLWHTZJCDKM-FOIQADDNSA-N 1 0 308.425 4.239 20 30 DIEDRO CC(=O)c1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172298306 1051351019 /nfs/dbraw/zinc/35/10/19/1051351019.db2.gz WGHKFUYHBYMXFR-CABCVRRESA-N 1 0 306.409 4.043 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC001172298301 1051351568 /nfs/dbraw/zinc/35/15/68/1051351568.db2.gz VZFJLUPDJZNOEG-QWHCGFSZSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1cccc(F)c1F ZINC001172300186 1051352747 /nfs/dbraw/zinc/35/27/47/1051352747.db2.gz SOGUNWIHURDRJL-QWHCGFSZSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(Cc2ccc(F)cc2)CCC1 ZINC001172300301 1051353367 /nfs/dbraw/zinc/35/33/67/1051353367.db2.gz UWPJASCTTSERKZ-MRXNPFEDSA-N 1 0 322.427 4.383 20 30 DIEDRO COc1ccccc1C1([NH2+][C@H](C)Cc2ccc(C#N)cc2)CCC1 ZINC001172300323 1051353403 /nfs/dbraw/zinc/35/34/03/1051353403.db2.gz UFKTWTWVWGLJNE-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC001172299795 1051353475 /nfs/dbraw/zinc/35/34/75/1051353475.db2.gz NXZPNJPPPZHFHP-VBKZILBWSA-N 1 0 308.400 4.296 20 30 DIEDRO COc1ccccc1C1([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CCC1 ZINC001172300322 1051353559 /nfs/dbraw/zinc/35/35/59/1051353559.db2.gz UFKTWTWVWGLJNE-INIZCTEOSA-N 1 0 320.436 4.167 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC001172350033 1051366354 /nfs/dbraw/zinc/36/63/54/1051366354.db2.gz IKGSJECTWRMXBB-MRXNPFEDSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1cc(OC2COC2)ccn1 ZINC001172347561 1051366541 /nfs/dbraw/zinc/36/65/41/1051366541.db2.gz WZPVCWXVBTUYOC-MRXNPFEDSA-N 1 0 320.477 4.088 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1cc(C(=O)OC)ccn1 ZINC001172347009 1051366548 /nfs/dbraw/zinc/36/65/48/1051366548.db2.gz OTCHKYBXOAPOPX-MRXNPFEDSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1nnc2c(C)cccn12 ZINC001172351025 1051367936 /nfs/dbraw/zinc/36/79/36/1051367936.db2.gz CAJIEBXPWDSDPN-INIZCTEOSA-N 1 0 302.466 4.266 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H]1CCN(C(=O)C2CCC2)C1 ZINC001172351343 1051368191 /nfs/dbraw/zinc/36/81/91/1051368191.db2.gz SYSJNDVCTKHMOF-MSOLQXFVSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H]1c2ccccc2CNC1=O ZINC001172350807 1051368721 /nfs/dbraw/zinc/36/87/21/1051368721.db2.gz PWXIFNRUMAQJKH-AEFFLSMTSA-N 1 0 302.462 4.086 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001172353909 1051369611 /nfs/dbraw/zinc/36/96/11/1051369611.db2.gz BXNXVCIDTFZWCD-ZWKOTPCHSA-N 1 0 321.509 4.100 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001172353746 1051369804 /nfs/dbraw/zinc/36/98/04/1051369804.db2.gz BCLLGRHKJYDLCC-GOSISDBHSA-N 1 0 318.509 4.128 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CC(N(C)C)=NO2)CC1 ZINC001172353953 1051369874 /nfs/dbraw/zinc/36/98/74/1051369874.db2.gz CKTPVHGRJUQGBA-QGZVFWFLSA-N 1 0 323.525 4.256 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001172353989 1051370733 /nfs/dbraw/zinc/37/07/33/1051370733.db2.gz CWUZLFYITACMFN-LJQANCHMSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@H+](CCOC)C1CCN(C)CC1 ZINC001172356763 1051371767 /nfs/dbraw/zinc/37/17/67/1051371767.db2.gz YBLPPHPMPAZQQZ-GOSISDBHSA-N 1 0 312.542 4.168 20 30 DIEDRO CCCCCCC[C@H](CC)Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001172356278 1051371913 /nfs/dbraw/zinc/37/19/13/1051371913.db2.gz IAAZUJVHXCQNSU-ROUUACIJSA-N 1 0 306.494 4.272 20 30 DIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172356518 1051372282 /nfs/dbraw/zinc/37/22/82/1051372282.db2.gz WKWUZYKTPWVMLN-IRXDYDNUSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001172356383 1051372392 /nfs/dbraw/zinc/37/23/92/1051372392.db2.gz WDCGYGQKIIBMNH-XHSDSOJGSA-N 1 0 303.437 4.339 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(C[C@@H]2C(=O)N(C)C)CC1 ZINC001172355983 1051372543 /nfs/dbraw/zinc/37/25/43/1051372543.db2.gz TVMAFTLBXKLNFF-QZTJIDSGSA-N 1 0 322.537 4.316 20 30 DIEDRO N#Cc1c(F)cccc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000794375475 1051373660 /nfs/dbraw/zinc/37/36/60/1051373660.db2.gz LKRWDBSUIMYSLL-UHFFFAOYSA-N 1 0 324.399 4.348 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001172362008 1051374140 /nfs/dbraw/zinc/37/41/40/1051374140.db2.gz QRDQXEIDAKRRGU-QGZVFWFLSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(N2CCCC2=O)CC1 ZINC001172361964 1051374256 /nfs/dbraw/zinc/37/42/56/1051374256.db2.gz QAKWCHVZBZZGGL-QGZVFWFLSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCC[C@H](CC)N(c1cnccn1)C1CC[NH2+]CC1 ZINC001172362015 1051374745 /nfs/dbraw/zinc/37/47/45/1051374745.db2.gz QZHLMPPANJTRGV-KRWDZBQOSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001172362376 1051375033 /nfs/dbraw/zinc/37/50/33/1051375033.db2.gz WXWQPENTHUZWTR-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(OC(=O)NCC)CC1 ZINC001172362448 1051375098 /nfs/dbraw/zinc/37/50/98/1051375098.db2.gz YKFYLZHHJAQUDL-MRXNPFEDSA-N 1 0 312.498 4.336 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]Cc1cc2cc(Cl)ccc2nc1Cl ZINC001170450739 1051403016 /nfs/dbraw/zinc/40/30/16/1051403016.db2.gz GMTZTMGJFMEIHR-MRXNPFEDSA-N 1 0 307.224 4.433 20 30 DIEDRO COc1cccc([C@@H]([NH2+][C@@H](C)CCCC#N)c2ccccc2)c1 ZINC001172486436 1051403525 /nfs/dbraw/zinc/40/35/25/1051403525.db2.gz BYNRNQHYABDPSF-JXFKEZNVSA-N 1 0 308.425 4.457 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H](c1ccnc(C(F)(F)F)c1)C1CC1 ZINC001172484655 1051403531 /nfs/dbraw/zinc/40/35/31/1051403531.db2.gz BHJYHTOBKZZACH-NHYWBVRUSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(C(=O)c2ccccc2)cc1 ZINC001172481932 1051403671 /nfs/dbraw/zinc/40/36/71/1051403671.db2.gz ZIMUYCWAMZXHOX-INIZCTEOSA-N 1 0 306.409 4.090 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC001172484922 1051404413 /nfs/dbraw/zinc/40/44/13/1051404413.db2.gz JQVFWGRLGCDNOT-XHDPSFHLSA-N 1 0 307.235 4.108 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001172484567 1051404602 /nfs/dbraw/zinc/40/46/02/1051404602.db2.gz GOGZQMJZBUZUCK-RDTXWAMCSA-N 1 0 318.848 4.350 20 30 DIEDRO COc1cccc([C@H]([NH2+][C@@H](C)CCCC#N)c2ccccc2)c1 ZINC001172486439 1051404667 /nfs/dbraw/zinc/40/46/67/1051404667.db2.gz BYNRNQHYABDPSF-OXJNMPFZSA-N 1 0 308.425 4.457 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](c1cncc(C(F)(F)F)c1)C1CC1 ZINC001172486539 1051404778 /nfs/dbraw/zinc/40/47/78/1051404778.db2.gz GAOFFLFLRCCONH-IAQYHMDHSA-N 1 0 311.351 4.223 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2cccc3[nH]c(C#N)cc32)CC1(C)C ZINC001170451898 1051407099 /nfs/dbraw/zinc/40/70/99/1051407099.db2.gz SKLPWSQPEUEHLZ-UHFFFAOYSA-N 1 0 310.445 4.103 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCc2c1cccc2OC(F)(F)F ZINC001172487500 1051411246 /nfs/dbraw/zinc/41/12/46/1051411246.db2.gz HWXQKYDUDLFTEP-BXUZGUMPSA-N 1 0 312.335 4.244 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@@H](OCc2ccccc2)CC1 ZINC001172492715 1051418483 /nfs/dbraw/zinc/41/84/83/1051418483.db2.gz NVWKMFFYUZLGPI-YTQUADARSA-N 1 0 300.446 4.186 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001172495040 1051418628 /nfs/dbraw/zinc/41/86/28/1051418628.db2.gz MCPJZQDVKZFACK-RLLQIKCJSA-N 1 0 312.457 4.107 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]CCOc1ccc(-c2ccccc2)cc1 ZINC001172490099 1051418679 /nfs/dbraw/zinc/41/86/79/1051418679.db2.gz VWFORVSQSKYNGU-QGZVFWFLSA-N 1 0 308.425 4.404 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1Cc2c(Br)cccc2C[C@@H]1C ZINC001172500835 1051420225 /nfs/dbraw/zinc/42/02/25/1051420225.db2.gz AXDZNRDMQHAPTC-STQMWFEESA-N 1 0 321.262 4.278 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001172501891 1051420318 /nfs/dbraw/zinc/42/03/18/1051420318.db2.gz MFKZCSXOWJQCBZ-QGZVFWFLSA-N 1 0 308.510 4.260 20 30 DIEDRO CC[N@H+](Cc1cccc(Br)c1)[C@H](C)CCCC#N ZINC001172499090 1051420377 /nfs/dbraw/zinc/42/03/77/1051420377.db2.gz AOZAIJVKFGFETM-CYBMUJFWSA-N 1 0 309.251 4.353 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1Cc2c(Br)cccc2C[C@H]1C ZINC001172500834 1051420615 /nfs/dbraw/zinc/42/06/15/1051420615.db2.gz AXDZNRDMQHAPTC-QWHCGFSZSA-N 1 0 321.262 4.278 20 30 DIEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)CCCC#N)C2)cc1 ZINC001172498679 1051420644 /nfs/dbraw/zinc/42/06/44/1051420644.db2.gz PUINRLUTJUORGW-WMZOPIPTSA-N 1 0 300.446 4.032 20 30 DIEDRO CCCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172501774 1051420812 /nfs/dbraw/zinc/42/08/12/1051420812.db2.gz JZCPYQZRZYQJBD-FHWLQOOXSA-N 1 0 322.537 4.458 20 30 DIEDRO CC[N@H+](Cc1ccc(Br)cc1)[C@@H](C)CCCC#N ZINC001172501771 1051420875 /nfs/dbraw/zinc/42/08/75/1051420875.db2.gz RPXGWFUPRFHFLM-ZDUSSCGKSA-N 1 0 309.251 4.353 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172501274 1051420906 /nfs/dbraw/zinc/42/09/06/1051420906.db2.gz AYMVTLLBCWYOIG-MRXNPFEDSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCN(CC(F)F)CC1 ZINC001172502190 1051422424 /nfs/dbraw/zinc/42/24/24/1051422424.db2.gz OROFKSROEYMJJI-MRXNPFEDSA-N 1 0 304.469 4.398 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC001172504580 1051422902 /nfs/dbraw/zinc/42/29/02/1051422902.db2.gz HHNXZJMNKWPDCV-AWEZNQCLSA-N 1 0 306.837 4.266 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001172503601 1051423099 /nfs/dbraw/zinc/42/30/99/1051423099.db2.gz AZJCKSFDVQNIOX-YJBOKZPZSA-N 1 0 320.864 4.403 20 30 DIEDRO CCCCCCCC[C@@H](CC)n1nc(COC)c2c1C[NH2+]C2 ZINC001172505787 1051424671 /nfs/dbraw/zinc/42/46/71/1051424671.db2.gz UXRCKJHBGPIUQO-OAHLLOKOSA-N 1 0 307.482 4.334 20 30 DIEDRO C[C@H](CCCC#N)[N@H+](Cc1ccccc1)C1CCSCC1 ZINC001172508389 1051424917 /nfs/dbraw/zinc/42/49/17/1051424917.db2.gz CKOAZUGTAJMKIU-MRXNPFEDSA-N 1 0 302.487 4.467 20 30 DIEDRO C[C@@H](CCCC#N)[N@@H+]1Cc2ccc(Br)cc2C[C@H]1C ZINC001172506379 1051425371 /nfs/dbraw/zinc/42/53/71/1051425371.db2.gz SGPBFLVJDQVVRJ-QWHCGFSZSA-N 1 0 321.262 4.278 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1ccccc1C(N)=O ZINC001172506389 1051425478 /nfs/dbraw/zinc/42/54/78/1051425478.db2.gz SOWGDWGXNBVJRJ-KRWDZBQOSA-N 1 0 304.478 4.404 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2ccc(C#N)c3[nH]ccc32)CC1(C)C ZINC001170452091 1051425645 /nfs/dbraw/zinc/42/56/45/1051425645.db2.gz XAHRTZDTNIEECE-UHFFFAOYSA-N 1 0 310.445 4.103 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCN(C2CCOCC2)CC1 ZINC001172510606 1051426259 /nfs/dbraw/zinc/42/62/59/1051426259.db2.gz GYSUPVBSWWFCNY-IBGZPJMESA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172509497 1051426653 /nfs/dbraw/zinc/42/66/53/1051426653.db2.gz XZLVVFVOFMSDRO-INIZCTEOSA-N 1 0 312.498 4.336 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001172508716 1051426949 /nfs/dbraw/zinc/42/69/49/1051426949.db2.gz NBUSFSRZXOZJII-QGZVFWFLSA-N 1 0 320.477 4.487 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC(N2CCOC2=O)CC1 ZINC001172511444 1051428508 /nfs/dbraw/zinc/42/85/08/1051428508.db2.gz RAFBVMYPOPONAD-KRWDZBQOSA-N 1 0 324.509 4.432 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001172511768 1051428781 /nfs/dbraw/zinc/42/87/81/1051428781.db2.gz WPHWXKGBOHEGEY-IRXDYDNUSA-N 1 0 317.539 4.025 20 30 DIEDRO [NH2+]=C(N[C@H]1CC[C@@H](c2ccccc2)C1)c1ccc2ccccc2n1 ZINC001172560118 1051441287 /nfs/dbraw/zinc/44/12/87/1051441287.db2.gz MXRZQLVWNCHEEC-MSOLQXFVSA-N 1 0 315.420 4.276 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561743 1051443458 /nfs/dbraw/zinc/44/34/58/1051443458.db2.gz YRVMFYVDYLADJO-PLMTUMEDSA-N 1 0 302.421 4.471 20 30 DIEDRO N#Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001172537582 1051451745 /nfs/dbraw/zinc/45/17/45/1051451745.db2.gz QSUQVPTXHYVSPF-WOJBJXKFSA-N 1 0 320.436 4.253 20 30 DIEDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCC(S)CC1 ZINC001172577697 1051462887 /nfs/dbraw/zinc/46/28/87/1051462887.db2.gz KYNVSVZODNCQKR-JTQLQIEISA-N 1 0 319.848 4.334 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001172543994 1051455727 /nfs/dbraw/zinc/45/57/27/1051455727.db2.gz UVZXJFQFTJRPFX-RTWAWAEBSA-N 1 0 304.437 4.417 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001168849384 1051455897 /nfs/dbraw/zinc/45/58/97/1051455897.db2.gz ZJXDFXPERPFJPJ-SFHVURJKSA-N 1 0 305.510 4.425 20 30 DIEDRO COC(=O)[C@H]1CCC[C@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001172616050 1051461435 /nfs/dbraw/zinc/46/14/35/1051461435.db2.gz KETXKXSDENQDRB-WMZOPIPTSA-N 1 0 320.477 4.047 20 30 DIEDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC(C)(C)S ZINC001172579796 1051462437 /nfs/dbraw/zinc/46/24/37/1051462437.db2.gz YSIVTCZDGZJGIE-VIFPVBQESA-N 1 0 307.837 4.237 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)cc1 ZINC000766529550 1051468634 /nfs/dbraw/zinc/46/86/34/1051468634.db2.gz PUMLECZYLPHTGW-DYESRHJHSA-N 1 0 322.452 4.184 20 30 DIEDRO CC1(C)CC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC(C)(C)O1 ZINC001172654357 1051471671 /nfs/dbraw/zinc/47/16/71/1051471671.db2.gz CUTFFMZASMGZET-UHFFFAOYSA-N 1 0 306.837 4.037 20 30 DIEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172622389 1051476262 /nfs/dbraw/zinc/47/62/62/1051476262.db2.gz MACRIZVDWOGUQX-HOTGVXAUSA-N 1 0 310.482 4.110 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OCC)cc1 ZINC000766569318 1051490814 /nfs/dbraw/zinc/49/08/14/1051490814.db2.gz ADOWWCDOZZBZGP-QGZVFWFLSA-N 1 0 323.436 4.257 20 30 DIEDRO CC(C)OC(=O)CC[C@H](C)[N@H+](CCC#N)C1CCCCCCC1 ZINC001172763430 1051501321 /nfs/dbraw/zinc/50/13/21/1051501321.db2.gz JDXUBPCAPVETGC-KRWDZBQOSA-N 1 0 322.493 4.435 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCC[C@H](C(=O)OC)CC1)c1ccccc1 ZINC001172786961 1051506322 /nfs/dbraw/zinc/50/63/22/1051506322.db2.gz SOSDMYQCERZFNX-OKZBNKHCSA-N 1 0 301.430 4.015 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172790740 1051507449 /nfs/dbraw/zinc/50/74/49/1051507449.db2.gz DOGDCQKDGWRNKV-RBUKOAKNSA-N 1 0 315.457 4.187 20 30 DIEDRO Fc1ccc(C#CC[NH2+]C2(Cc3ccccc3)CCCC2)cc1 ZINC001169104140 1051512721 /nfs/dbraw/zinc/51/27/21/1051512721.db2.gz ZCNBPLHMQNGWPJ-UHFFFAOYSA-N 1 0 307.412 4.322 20 30 DIEDRO Cc1ccc2c(c1)C[C@@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)CC2 ZINC001172826220 1051516832 /nfs/dbraw/zinc/51/68/32/1051516832.db2.gz SDACVBQZLSYEMJ-FQEVSTJZSA-N 1 0 304.437 4.249 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)CC1(C)C ZINC001169091025 1051518234 /nfs/dbraw/zinc/51/82/34/1051518234.db2.gz LRQQKMSHOLCLFQ-LBPRGKRZSA-N 1 0 321.262 4.189 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C)cc2C1)c1cccc(C#N)c1 ZINC001172833514 1051520268 /nfs/dbraw/zinc/52/02/68/1051520268.db2.gz ZAEOAHKEPLTFMA-NHCUHLMSSA-N 1 0 304.437 4.465 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001172866082 1051524842 /nfs/dbraw/zinc/52/48/42/1051524842.db2.gz GCMPZXFSLZQQRF-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(C#N)cc1 ZINC001172840436 1051527764 /nfs/dbraw/zinc/52/77/64/1051527764.db2.gz YIGZLRHADFVPMG-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO CC1(C)C[C@H](Nc2ncc(C#N)c3ccccc32)C[C@@](C)(C[NH3+])C1 ZINC001169138904 1051529725 /nfs/dbraw/zinc/52/97/25/1051529725.db2.gz WFVVWFJZMSEXJI-MGPUTAFESA-N 1 0 322.456 4.062 20 30 DIEDRO C=CCc1cc(C)cnc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169142285 1051533139 /nfs/dbraw/zinc/53/31/39/1051533139.db2.gz MGIKPOLWXWDPED-VQIMIIECSA-N 1 0 301.478 4.074 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCc1ccc(C#N)cc1 ZINC001172845791 1051533788 /nfs/dbraw/zinc/53/37/88/1051533788.db2.gz OHHMPLCNDFADDN-CYBMUJFWSA-N 1 0 316.807 4.114 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cc(C#N)cs1 ZINC001172850235 1051537704 /nfs/dbraw/zinc/53/77/04/1051537704.db2.gz VUTPYMGNOMRNBK-JTQLQIEISA-N 1 0 308.809 4.133 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001172853543 1051539264 /nfs/dbraw/zinc/53/92/64/1051539264.db2.gz MRKUQAOGBNCHOL-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001172855433 1051540557 /nfs/dbraw/zinc/54/05/57/1051540557.db2.gz BNMJLPUUWABAKZ-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001172855432 1051541060 /nfs/dbraw/zinc/54/10/60/1051541060.db2.gz BNMJLPUUWABAKZ-LLVKDONJSA-N 1 0 320.770 4.211 20 30 DIEDRO C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)Cc1cccc(C#N)c1 ZINC001172863627 1051549905 /nfs/dbraw/zinc/54/99/05/1051549905.db2.gz YNFJPIKEKCTXFK-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)Cc1cccc(C#N)c1 ZINC001172863628 1051550205 /nfs/dbraw/zinc/55/02/05/1051550205.db2.gz YNFJPIKEKCTXFK-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO C=C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172907540 1051553476 /nfs/dbraw/zinc/55/34/76/1051553476.db2.gz SAESYBXDLYQWLB-AZUAARDMSA-N 1 0 322.408 4.359 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)CC1 ZINC000177913395 1051555938 /nfs/dbraw/zinc/55/59/38/1051555938.db2.gz UGSUWJNWCIDWLK-MRXNPFEDSA-N 1 0 324.468 4.149 20 30 DIEDRO C[C@H](Cc1ccc(F)cc1Cl)[N@H+](C)Cc1cccc(C#N)c1 ZINC001172870781 1051555961 /nfs/dbraw/zinc/55/59/61/1051555961.db2.gz FESIDYKZCNRWTE-CYBMUJFWSA-N 1 0 316.807 4.414 20 30 DIEDRO COc1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc1C#N ZINC001212690305 1051569138 /nfs/dbraw/zinc/56/91/38/1051569138.db2.gz DNVUDKRZLUPOAQ-UHFFFAOYSA-N 1 0 321.424 4.120 20 30 DIEDRO C[NH+]1CCC(c2ccc(Nc3cccc(CC#N)c3)cc2)CC1 ZINC001212691298 1051576604 /nfs/dbraw/zinc/57/66/04/1051576604.db2.gz JKPGIZBTIWKRJM-UHFFFAOYSA-N 1 0 305.425 4.305 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000178645278 1051579312 /nfs/dbraw/zinc/57/93/12/1051579312.db2.gz VBIXMJYQIPDLEK-VXGBXAGGSA-N 1 0 315.244 4.433 20 30 DIEDRO C=CCCCC[N@@H+](C)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305959 1051581890 /nfs/dbraw/zinc/58/18/90/1051581890.db2.gz RVRVFBLMMNOADQ-UHFFFAOYSA-N 1 0 315.457 4.443 20 30 DIEDRO C=CCCCCC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC001170470264 1051587712 /nfs/dbraw/zinc/58/77/12/1051587712.db2.gz YSCFSSQLOZYKEP-UHFFFAOYSA-N 1 0 308.416 4.223 20 30 DIEDRO Cc1[nH]c2ccc(N[C@](C)(C#N)c3ccccc3Cl)cc2[nH+]1 ZINC001169380361 1051598292 /nfs/dbraw/zinc/59/82/92/1051598292.db2.gz AHKPRLAWVMISJE-QGZVFWFLSA-N 1 0 310.788 4.376 20 30 DIEDRO CCCOC1CCC([N@H+](CCC#N)Cc2ccccc2)CC1 ZINC001173095345 1051600319 /nfs/dbraw/zinc/60/03/19/1051600319.db2.gz KUCJIBNUHPWKMW-UHFFFAOYSA-N 1 0 300.446 4.140 20 30 DIEDRO C[C@@](C#N)(Nc1ccc(C2([NH3+])CC2)cc1)c1ccccc1Cl ZINC001169389212 1051605777 /nfs/dbraw/zinc/60/57/77/1051605777.db2.gz OVPJBFGIHLPHKU-KRWDZBQOSA-N 1 0 311.816 4.139 20 30 DIEDRO C[C@@](C#N)(Nc1cccc2c1CC[C@H]2[NH3+])c1ccccc1Cl ZINC001169389325 1051606011 /nfs/dbraw/zinc/60/60/11/1051606011.db2.gz RHBADDOQAZLLJE-AEFFLSMTSA-N 1 0 311.816 4.137 20 30 DIEDRO C#CCCC[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000766727565 1051622329 /nfs/dbraw/zinc/62/23/29/1051622329.db2.gz GHQWUKYKTHJDAC-IBGZPJMESA-N 1 0 313.828 4.441 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2ccc(C(F)(F)F)cc2C#N)c1F ZINC001216224276 1051633231 /nfs/dbraw/zinc/63/32/31/1051633231.db2.gz VCCGHJLBOKBPLW-UHFFFAOYSA-N 1 0 323.293 4.179 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cccc(C(F)(F)F)c2C#N)c1F ZINC001216225977 1051633350 /nfs/dbraw/zinc/63/33/50/1051633350.db2.gz ZZRSOQVFSZIYOX-UHFFFAOYSA-N 1 0 323.293 4.179 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2sc3c(c2C#N)CCC3)c1F ZINC001216227670 1051635234 /nfs/dbraw/zinc/63/52/34/1051635234.db2.gz ODRCOQUZOUAMOX-UHFFFAOYSA-N 1 0 315.417 4.053 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001169539474 1051639786 /nfs/dbraw/zinc/63/97/86/1051639786.db2.gz NRILNYAQMTXOOB-INIZCTEOSA-N 1 0 312.457 4.359 20 30 DIEDRO N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)CC2CCC2)cc1 ZINC000031473590 1051647146 /nfs/dbraw/zinc/64/71/46/1051647146.db2.gz OWXSVQQLFASLKJ-UHFFFAOYSA-N 1 0 315.420 4.232 20 30 DIEDRO C[C@H](CC(c1ccccc1)c1ccccc1)[NH+]1CC(CC#N)C1 ZINC001173212768 1051649579 /nfs/dbraw/zinc/64/95/79/1051649579.db2.gz AMKFFPNSIAQIFG-QGZVFWFLSA-N 1 0 304.437 4.443 20 30 DIEDRO C=C(C)CCc1ccccc1N1CCCc2ccc(C[NH3+])nc21 ZINC001169592302 1051651124 /nfs/dbraw/zinc/65/11/24/1051651124.db2.gz LWSPRXZPECMYJH-UHFFFAOYSA-N 1 0 307.441 4.133 20 30 DIEDRO C=C(Br)C[NH2+]C(C)(C)c1ccc(OCCC)cc1 ZINC001169677094 1051670091 /nfs/dbraw/zinc/67/00/91/1051670091.db2.gz XFJRXHBIHALCJY-UHFFFAOYSA-N 1 0 312.251 4.209 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(CC#N)cc1C ZINC001169689686 1051672941 /nfs/dbraw/zinc/67/29/41/1051672941.db2.gz IALMYYXBEBAYEN-SFHVURJKSA-N 1 0 305.425 4.301 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(C#N)cc2[nH]ccc21 ZINC001169690469 1051673998 /nfs/dbraw/zinc/67/39/98/1051673998.db2.gz MBWLADIQRFFJGM-KRWDZBQOSA-N 1 0 316.408 4.280 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(F)cc(CC#N)c1 ZINC001169688997 1051674007 /nfs/dbraw/zinc/67/40/07/1051674007.db2.gz CHYJHTUTZNBWJD-GOSISDBHSA-N 1 0 309.388 4.132 20 30 DIEDRO CCCCCCCC[C@@H](CCC)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001173310300 1051681196 /nfs/dbraw/zinc/68/11/96/1051681196.db2.gz SBHVLQSIKYCZPP-OAHLLOKOSA-N 1 0 307.486 4.337 20 30 DIEDRO CCCCCCCC[C@H](CCC)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001173309017 1051681378 /nfs/dbraw/zinc/68/13/78/1051681378.db2.gz FEWITHKQAXTELI-KRWDZBQOSA-N 1 0 324.509 4.480 20 30 DIEDRO C=CCOC1CCC(n2cc(CC[NH3+])c3cccc(C)c32)CC1 ZINC001173311468 1051683569 /nfs/dbraw/zinc/68/35/69/1051683569.db2.gz JLZUVSQJAWMBJP-UHFFFAOYSA-N 1 0 312.457 4.137 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC001173311075 1051684111 /nfs/dbraw/zinc/68/41/11/1051684111.db2.gz DCKJWFDQVPJCCF-CBNMVNINSA-N 1 0 322.452 4.274 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2ccc(OCCC)cc2)CC1 ZINC001173311225 1051684268 /nfs/dbraw/zinc/68/42/68/1051684268.db2.gz IMKAPMCXKRVERV-UHFFFAOYSA-N 1 0 303.446 4.079 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2c(F)ccc(Cl)c2F)CC1 ZINC001173310913 1051684445 /nfs/dbraw/zinc/68/44/45/1051684445.db2.gz ADRCOXMQHSOKHU-UHFFFAOYSA-N 1 0 315.791 4.222 20 30 DIEDRO C=CCOC1CCC([NH2+]CCCOc2cccc(Cl)c2)CC1 ZINC001173311530 1051684528 /nfs/dbraw/zinc/68/45/28/1051684528.db2.gz LROSNQUITVGVCG-UHFFFAOYSA-N 1 0 323.864 4.212 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173310770 1051684721 /nfs/dbraw/zinc/68/47/21/1051684721.db2.gz YUVGCSSUINZVKG-DLBZAZTESA-N 1 0 309.498 4.007 20 30 DIEDRO N#CC1(CCCC[N@H+]2CC[C@@](F)(c3ccccc3)C2)CCC1 ZINC001169745548 1051685907 /nfs/dbraw/zinc/68/59/07/1051685907.db2.gz RGGQFKWHRLAJFL-IBGZPJMESA-N 1 0 300.421 4.421 20 30 DIEDRO CC[C@H]1CC[C@H]([NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001173282803 1051686896 /nfs/dbraw/zinc/68/68/96/1051686896.db2.gz HPTXRRHLJDCVJG-HOTGVXAUSA-N 1 0 300.421 4.262 20 30 DIEDRO CC(C)[Si](C#C[NH2+]Cc1ncccc1O)(C(C)C)C(C)C ZINC001169731826 1051687652 /nfs/dbraw/zinc/68/76/52/1051687652.db2.gz QXXLLOVMDPEALR-UHFFFAOYSA-N 1 0 304.510 4.056 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)n1cncc1C[C@@H]([NH3+])CO ZINC001173285350 1051687649 /nfs/dbraw/zinc/68/76/49/1051687649.db2.gz SMQJCMMPEVMULE-QZTJIDSGSA-N 1 0 323.525 4.227 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CCC(=O)NC1 ZINC001173285664 1051688800 /nfs/dbraw/zinc/68/88/00/1051688800.db2.gz ZSQHJIJKLXSIGE-QZTJIDSGSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]CCCc1c[nH][nH]c1=O ZINC001173285582 1051689058 /nfs/dbraw/zinc/68/90/58/1051689058.db2.gz XOAWTMJEMQKWOD-QZTJIDSGSA-N 1 0 323.525 4.397 20 30 DIEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000805839840 1051689488 /nfs/dbraw/zinc/68/94/88/1051689488.db2.gz UGIOFEJACBSQEK-DOTOQJQBSA-N 1 0 300.446 4.236 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001173326073 1051692593 /nfs/dbraw/zinc/69/25/93/1051692593.db2.gz SBKOAYJWKHZQHE-UHFFFAOYSA-N 1 0 312.335 4.147 20 30 DIEDRO C=CCOC1CCC([N@H+](CC)Cc2cccc(F)c2F)CC1 ZINC001173323399 1051692934 /nfs/dbraw/zinc/69/29/34/1051692934.db2.gz WYNAONRECJOEKI-UHFFFAOYSA-N 1 0 309.400 4.301 20 30 DIEDRO C=CCOC1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001173321739 1051692986 /nfs/dbraw/zinc/69/29/86/1051692986.db2.gz ONBOVVDFGLLCBQ-UHFFFAOYSA-N 1 0 324.468 4.058 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001173326339 1051693019 /nfs/dbraw/zinc/69/30/19/1051693019.db2.gz YZJFKTMKXFENKX-IOJLRTSASA-N 1 0 317.448 4.346 20 30 DIEDRO C=CCOC1CCC([N@H+](C)Cc2cccc3cccnc32)CC1 ZINC001173327172 1051694374 /nfs/dbraw/zinc/69/43/74/1051694374.db2.gz IDOIQLWZVMHOIB-UHFFFAOYSA-N 1 0 310.441 4.180 20 30 DIEDRO COc1ccc2cccc(CC[NH2+]C3CCC(CC#N)CC3)c2c1 ZINC001173328900 1051694804 /nfs/dbraw/zinc/69/48/04/1051694804.db2.gz SBLBLJCKWRSUAO-UHFFFAOYSA-N 1 0 322.452 4.453 20 30 DIEDRO N#CCC1CCC([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001173329225 1051695242 /nfs/dbraw/zinc/69/52/42/1051695242.db2.gz AJOBLNHMTZWAJM-QOJXUVEWSA-N 1 0 303.837 4.248 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001173328022 1051695857 /nfs/dbraw/zinc/69/58/57/1051695857.db2.gz XVNPMGPSOYLVBP-ACBHZAAOSA-N 1 0 317.498 4.290 20 30 DIEDRO N#CCC1CCC(n2cc(CC[NH3+])c3c2cccc3Cl)CC1 ZINC001173332337 1051696696 /nfs/dbraw/zinc/69/66/96/1051696696.db2.gz KFLIRGUACMXEKZ-UHFFFAOYSA-N 1 0 315.848 4.441 20 30 DIEDRO Cc1c(Br)cccc1C[NH2+]C1CCC(CC#N)CC1 ZINC001173334420 1051696819 /nfs/dbraw/zinc/69/68/19/1051696819.db2.gz RHUAJLUMHMRSBC-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC1 ZINC001173334882 1051697201 /nfs/dbraw/zinc/69/72/01/1051697201.db2.gz ZPTMCCLKGGWKRF-LDZOIKDWSA-N 1 0 303.837 4.248 20 30 DIEDRO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CCC(CC#N)CC1 ZINC001173330929 1051697667 /nfs/dbraw/zinc/69/76/67/1051697667.db2.gz HWSDVDUDUCIAPC-MUYFXNHWSA-N 1 0 314.473 4.421 20 30 DIEDRO N#CCC1CCC([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001173333652 1051697711 /nfs/dbraw/zinc/69/77/11/1051697711.db2.gz OINWAZWAIZBIMA-UAIPMZCESA-N 1 0 303.837 4.248 20 30 DIEDRO COc1ccc(CC2([NH2+]C3CCC(CC#N)CC3)CCC2)cc1 ZINC001173332463 1051697745 /nfs/dbraw/zinc/69/77/45/1051697745.db2.gz LOEMQDAWPUMGDJ-UHFFFAOYSA-N 1 0 312.457 4.222 20 30 DIEDRO N#CCC1CCC([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001173340326 1051698491 /nfs/dbraw/zinc/69/84/91/1051698491.db2.gz VAMOILMOJXPLLN-PPSBMQLTSA-N 1 0 300.421 4.305 20 30 DIEDRO N#CCC1CCC([NH+]2CC3(CC(OCc4ccccc4)C3)C2)CC1 ZINC001173337564 1051698701 /nfs/dbraw/zinc/69/87/01/1051698701.db2.gz OLIWFLCCTHEVTE-UHFFFAOYSA-N 1 0 324.468 4.140 20 30 DIEDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCC(CC#N)CC1 ZINC001173339835 1051699123 /nfs/dbraw/zinc/69/91/23/1051699123.db2.gz VMOXGEGOISKMIC-UHFFFAOYSA-N 1 0 311.473 4.191 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173340316 1051699148 /nfs/dbraw/zinc/69/91/48/1051699148.db2.gz ZWCDRDJJFVINTE-CTWPCTMYSA-N 1 0 312.457 4.311 20 30 DIEDRO CNc1cc(Nc2sc(Cc3ccccc3)cc2C#N)cc[nH+]1 ZINC001216331103 1051704297 /nfs/dbraw/zinc/70/42/97/1051704297.db2.gz KYUYKSMYABMIKJ-UHFFFAOYSA-N 1 0 320.421 4.391 20 30 DIEDRO C=CCOC1CCC(n2cc(C[C@@H](C)[NH3+])c3ccccc32)CC1 ZINC001173314140 1051709053 /nfs/dbraw/zinc/70/90/53/1051709053.db2.gz JYDIOMPBOBTDDT-FAEJEUNOSA-N 1 0 312.457 4.217 20 30 DIEDRO C=CCOC1CCC([NH2+]Cc2cc(F)c(F)cc2Cl)CC1 ZINC001173315686 1051709306 /nfs/dbraw/zinc/70/93/06/1051709306.db2.gz PJXANIHPDPEALC-UHFFFAOYSA-N 1 0 315.791 4.222 20 30 DIEDRO C=CCOC1CCC([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CC1 ZINC001173316706 1051711070 /nfs/dbraw/zinc/71/10/70/1051711070.db2.gz MFBYYMSXJSGANH-UHFFFAOYSA-N 1 0 313.634 4.213 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843667 1051711546 /nfs/dbraw/zinc/71/15/46/1051711546.db2.gz HFHUVXRNBIQWQG-JKSUJKDBSA-N 1 0 309.400 4.065 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](C)c2ccc(C(C)=O)cc2)CC1 ZINC001173318413 1051711451 /nfs/dbraw/zinc/71/14/51/1051711451.db2.gz SVRAZJQWBGKBSS-YCMKEVRSSA-N 1 0 301.430 4.054 20 30 DIEDRO C=CCOC1CCC([N@@H+](CCN)CCCCCCCC)CC1 ZINC001173318121 1051711630 /nfs/dbraw/zinc/71/16/30/1051711630.db2.gz PVDFIZVFHQFEKN-UHFFFAOYSA-N 1 0 310.526 4.121 20 30 DIEDRO C=CCOC1CCC([NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC001173315895 1051711795 /nfs/dbraw/zinc/71/17/95/1051711795.db2.gz SGODGLVWVOHVIG-UHFFFAOYSA-N 1 0 305.849 4.433 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccnn1-c1ccccc1)c1ccccc1 ZINC000467335486 1051715595 /nfs/dbraw/zinc/71/55/95/1051715595.db2.gz KUIBTLGAVWZAAM-QGZVFWFLSA-N 1 0 303.409 4.236 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCc2cncs2)cc1 ZINC001169867912 1051721238 /nfs/dbraw/zinc/72/12/38/1051721238.db2.gz HKYYGYJCFDWLAK-GOSISDBHSA-N 1 0 313.470 4.121 20 30 DIEDRO C=CCCCC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC001169873828 1051722941 /nfs/dbraw/zinc/72/29/41/1051722941.db2.gz YNEQRRHLJOJGQA-UHFFFAOYSA-N 1 0 317.864 4.432 20 30 DIEDRO C=C[C@H](CC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000152543931 1051723397 /nfs/dbraw/zinc/72/33/97/1051723397.db2.gz KHQYBSLNXVMYGN-QGZVFWFLSA-N 1 0 308.425 4.047 20 30 DIEDRO N#CCC[N@H+]([C@@H]1CCCC2(C1)OCCO2)C1CCCCCCC1 ZINC001169949229 1051733315 /nfs/dbraw/zinc/73/33/15/1051733315.db2.gz MIGRDZQEGFMQDG-GOSISDBHSA-N 1 0 320.477 4.001 20 30 DIEDRO C[C@H]1CCC[C@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC001169953456 1051735723 /nfs/dbraw/zinc/73/57/23/1051735723.db2.gz QUJOQQYQAHNKQH-WMZOPIPTSA-N 1 0 312.457 4.228 20 30 DIEDRO C#CCCC[NH+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000766896854 1051738105 /nfs/dbraw/zinc/73/81/05/1051738105.db2.gz XVUARRZGNWXNHG-UHFFFAOYSA-N 1 0 323.436 4.119 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000806174945 1051747096 /nfs/dbraw/zinc/74/70/96/1051747096.db2.gz QLHFLZUCMPLEED-JKSUJKDBSA-N 1 0 313.363 4.073 20 30 DIEDRO Cc1cc(Br)cc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC001173590444 1051755783 /nfs/dbraw/zinc/75/57/83/1051755783.db2.gz JGBREAWUGDEOOZ-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000806145405 1051752884 /nfs/dbraw/zinc/75/28/84/1051752884.db2.gz BLCBRLVWFQDFOK-BPQIPLTHSA-N 1 0 300.446 4.282 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCCOc2cccc(Cl)c2)CC1 ZINC001173584552 1051753799 /nfs/dbraw/zinc/75/37/99/1051753799.db2.gz ACIKDQOKZGHQND-UHFFFAOYSA-N 1 0 306.837 4.171 20 30 DIEDRO N#CCC[C@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)c1ccccc1 ZINC000806149453 1051754066 /nfs/dbraw/zinc/75/40/66/1051754066.db2.gz SXAQQNGVWOVZKL-HOTGVXAUSA-N 1 0 311.816 4.357 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCSCc2ccc(F)cc2)CC1 ZINC001173585006 1051754159 /nfs/dbraw/zinc/75/41/59/1051754159.db2.gz VYJPOWAHKFDWLV-UHFFFAOYSA-N 1 0 306.450 4.121 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001173592083 1051754773 /nfs/dbraw/zinc/75/47/73/1051754773.db2.gz FJFUCNGSSYSRAO-UHFFFAOYSA-N 1 0 323.440 4.480 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001173588565 1051755033 /nfs/dbraw/zinc/75/50/33/1051755033.db2.gz KXNLJFTWQHQHRD-ARWYELJZSA-N 1 0 303.837 4.248 20 30 DIEDRO COc1cccc(CC2(C[NH2+]C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173591114 1051755447 /nfs/dbraw/zinc/75/54/47/1051755447.db2.gz JJLGQXLVFSDCKK-UHFFFAOYSA-N 1 0 312.457 4.080 20 30 DIEDRO CC1(C#N)CCC(NC(=[NH2+])Cc2cccc(C(F)(F)F)c2)CC1 ZINC001173590409 1051755461 /nfs/dbraw/zinc/75/54/61/1051755461.db2.gz IBZNYCAMSRPQRV-UHFFFAOYSA-N 1 0 323.362 4.287 20 30 DIEDRO COc1ccc(CC(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC001173591191 1051755638 /nfs/dbraw/zinc/75/56/38/1051755638.db2.gz KLTXEZFEMHXSEV-UHFFFAOYSA-N 1 0 314.473 4.326 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001173599381 1051758517 /nfs/dbraw/zinc/75/85/17/1051758517.db2.gz KSCDYKZWDPEKJR-ADKAHSJRSA-N 1 0 318.461 4.388 20 30 DIEDRO CC1(C#N)CCC(n2nc(C3CC[NH2+]CC3)c3ccccc32)CC1 ZINC001173601410 1051759132 /nfs/dbraw/zinc/75/91/32/1051759132.db2.gz SNJIPKFGKUWHQO-UHFFFAOYSA-N 1 0 322.456 4.148 20 30 DIEDRO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173601419 1051760337 /nfs/dbraw/zinc/76/03/37/1051760337.db2.gz SUENOTCYXLYIGO-FDYSRKEFSA-N 1 0 312.457 4.442 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H]1CC[C@@H](CC(=O)OCC)C1)c1ccccc1 ZINC001173652001 1051776043 /nfs/dbraw/zinc/77/60/43/1051776043.db2.gz PVIJCRZXJXYHRU-KBAYOESNSA-N 1 0 301.430 4.015 20 30 DIEDRO N#CCC1CC[NH+](C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173690509 1051782724 /nfs/dbraw/zinc/78/27/24/1051782724.db2.gz VPPWNJWMPXJSDO-UHFFFAOYSA-N 1 0 308.469 4.439 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000185778477 1051782887 /nfs/dbraw/zinc/78/28/87/1051782887.db2.gz NZJSCRMZYONYGW-RDJZCZTQSA-N 1 0 316.445 4.046 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000185769951 1051783047 /nfs/dbraw/zinc/78/30/47/1051783047.db2.gz HFBUSNPBUFKEKO-OBJOEFQTSA-N 1 0 312.335 4.318 20 30 DIEDRO C=CCC[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173709077 1051785711 /nfs/dbraw/zinc/78/57/11/1051785711.db2.gz VEKJZPVKIPYPMJ-HXUWFJFHSA-N 1 0 307.437 4.289 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000185859879 1051788631 /nfs/dbraw/zinc/78/86/31/1051788631.db2.gz PQXWGQJSJVDDTE-JLJPHGGASA-N 1 0 316.420 4.347 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000767371742 1051798366 /nfs/dbraw/zinc/79/83/66/1051798366.db2.gz ZUFOIVPRVOHBMZ-SFHLNBCPSA-N 1 0 320.436 4.261 20 30 DIEDRO CCc1nc2ccccc2n1[NH+]=C/C=C/c1ccccc1OC ZINC000767374133 1051798488 /nfs/dbraw/zinc/79/84/88/1051798488.db2.gz QYTACYPFLZBDIU-GGFLDDBKSA-N 1 0 305.381 4.155 20 30 DIEDRO C#C[C@](C)(CC)[NH2+]C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173783779 1051801144 /nfs/dbraw/zinc/80/11/44/1051801144.db2.gz HVAVJAQIVWRYKY-OUNSHVDWSA-N 1 0 313.441 4.030 20 30 DIEDRO CC(C)(C#N)c1ccc(Nc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001216553433 1051815641 /nfs/dbraw/zinc/81/56/41/1051815641.db2.gz BKMZUYYCSLYISC-UHFFFAOYSA-N 1 0 316.408 4.476 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccc(F)c(F)c1 ZINC000186448796 1051817716 /nfs/dbraw/zinc/81/77/16/1051817716.db2.gz AIYPKSGYHHRKQV-ORAYPTAESA-N 1 0 317.379 4.425 20 30 DIEDRO C=C(C)[C@H]([NH2+]Cc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187370648 1051842830 /nfs/dbraw/zinc/84/28/30/1051842830.db2.gz USFISXBQALEDJM-SFHVURJKSA-N 1 0 303.352 4.380 20 30 DIEDRO COc1ccc(C[N@H+](C)C/C(C)=C\c2ccccc2)cc1C#N ZINC000494234864 1051858248 /nfs/dbraw/zinc/85/82/48/1051858248.db2.gz RXFYCIKFQLIPEH-WJDWOHSUSA-N 1 0 306.409 4.102 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000404826257 1051892287 /nfs/dbraw/zinc/89/22/87/1051892287.db2.gz GIYCGTCABLIJOU-JTQLQIEISA-N 1 0 306.743 4.341 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000768194833 1051900232 /nfs/dbraw/zinc/90/02/32/1051900232.db2.gz GDYQJESDNMDORH-CVEARBPZSA-N 1 0 306.409 4.097 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3[C@H](C)C2)cc1 ZINC000768194835 1051900905 /nfs/dbraw/zinc/90/09/05/1051900905.db2.gz GDYQJESDNMDORH-HZPDHXFCSA-N 1 0 306.409 4.097 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494478207 1051901267 /nfs/dbraw/zinc/90/12/67/1051901267.db2.gz SKZMDVXJMDSEKL-JTQLQIEISA-N 1 0 302.296 4.058 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(C#N)cc1C(F)(F)F ZINC001173929962 1051902549 /nfs/dbraw/zinc/90/25/49/1051902549.db2.gz NZPOIDPAGQZWEU-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C[NH+](C)Cc1ccccc1Nc1c(C#N)cccc1C(F)(F)F ZINC001173933003 1051904995 /nfs/dbraw/zinc/90/49/95/1051904995.db2.gz XGQQFLLXHHKPBR-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccco1 ZINC000796972793 1051925595 /nfs/dbraw/zinc/92/55/95/1051925595.db2.gz RIWDXGLLWNPSBZ-JKSUJKDBSA-N 1 0 323.795 4.403 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(Cl)c(C)c1 ZINC000768485658 1051933723 /nfs/dbraw/zinc/93/37/23/1051933723.db2.gz VPXXJCNLNRILBV-UHFFFAOYSA-N 1 0 313.832 4.327 20 30 DIEDRO C=CCC1(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)CCC1 ZINC000190166000 1051939535 /nfs/dbraw/zinc/93/95/35/1051939535.db2.gz MSCOXXIZCPPPMZ-UHFFFAOYSA-N 1 0 320.521 4.093 20 30 DIEDRO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768530006 1051939830 /nfs/dbraw/zinc/93/98/30/1051939830.db2.gz BVUUHCCCCHHJHP-JXFKEZNVSA-N 1 0 320.436 4.314 20 30 DIEDRO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768530009 1051940249 /nfs/dbraw/zinc/94/02/49/1051940249.db2.gz BVUUHCCCCHHJHP-UZLBHIALSA-N 1 0 320.436 4.314 20 30 DIEDRO C=CC1(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CCCCC1 ZINC001131092640 1051948970 /nfs/dbraw/zinc/94/89/70/1051948970.db2.gz PLUGMXITNJQDFD-SFHVURJKSA-N 1 0 318.505 4.036 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169996530 1051969732 /nfs/dbraw/zinc/96/97/32/1051969732.db2.gz BALMZWQCNHKODJ-GOSISDBHSA-N 1 0 324.424 4.033 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191531432 1051975448 /nfs/dbraw/zinc/97/54/48/1051975448.db2.gz DZACMPIQSXCRNZ-XQQFMLRXSA-N 1 0 303.381 4.127 20 30 DIEDRO CC[C@@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743860896 1051976126 /nfs/dbraw/zinc/97/61/26/1051976126.db2.gz YVBBEYZOGAWQMM-KRWDZBQOSA-N 1 0 306.837 4.254 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000494603696 1051980112 /nfs/dbraw/zinc/98/01/12/1051980112.db2.gz NIOXTQOQYMBUOW-MOPGFXCFSA-N 1 0 306.409 4.015 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000768957264 1051988211 /nfs/dbraw/zinc/98/82/11/1051988211.db2.gz QVHSXVTZCNVKAA-MSOLQXFVSA-N 1 0 308.510 4.070 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000769192193 1052003620 /nfs/dbraw/zinc/00/36/20/1052003620.db2.gz HPLXXADSETZDOL-UHFFFAOYSA-N 1 0 324.399 4.140 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)cc1 ZINC000769165957 1052004530 /nfs/dbraw/zinc/00/45/30/1052004530.db2.gz XIVMGFWKCHYKAH-NVXWUHKLSA-N 1 0 300.446 4.378 20 30 DIEDRO CCCCn1nc(C)c(C[NH2+]CC(C)(C)CCC#N)c1Cl ZINC000808429713 1052030452 /nfs/dbraw/zinc/03/04/52/1052030452.db2.gz GVHVCHAYYXURBL-UHFFFAOYSA-N 1 0 310.873 4.065 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000769379135 1052034855 /nfs/dbraw/zinc/03/48/55/1052034855.db2.gz JPTJAIAEIDKLRG-DOTOQJQBSA-N 1 0 324.399 4.106 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000769394734 1052049683 /nfs/dbraw/zinc/04/96/83/1052049683.db2.gz CJFUFZXSIBZOAH-CRAIPNDOSA-N 1 0 324.399 4.106 20 30 DIEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769488500 1052051740 /nfs/dbraw/zinc/05/17/40/1052051740.db2.gz QWEAEEQCMRHPPV-PXNSSMCTSA-N 1 0 322.452 4.431 20 30 DIEDRO CCC[C@@]1(C)CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769452543 1052057911 /nfs/dbraw/zinc/05/79/11/1052057911.db2.gz XLOGFXIPPSLNIC-APWZRJJASA-N 1 0 300.446 4.380 20 30 DIEDRO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000769463205 1052062142 /nfs/dbraw/zinc/06/21/42/1052062142.db2.gz OIUCTPSCVLRVJK-ROUUACIJSA-N 1 0 322.452 4.349 20 30 DIEDRO N#Cc1c(Cl)ccc(Nc2ccc3[nH+]ccn3c2)c1Cl ZINC001174279761 1052067306 /nfs/dbraw/zinc/06/73/06/1052067306.db2.gz GRAWWLQUNACKLQ-UHFFFAOYSA-N 1 0 303.152 4.256 20 30 DIEDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1O ZINC000808705934 1052069034 /nfs/dbraw/zinc/06/90/34/1052069034.db2.gz BHEPYIPAYPKXAF-LLVKDONJSA-N 1 0 318.779 4.216 20 30 DIEDRO C#CC[N@H+](Cc1cnc(-c2cccs2)s1)C1CCCC1 ZINC000769529719 1052075780 /nfs/dbraw/zinc/07/57/80/1052075780.db2.gz DPULGZCDGKTPFS-UHFFFAOYSA-N 1 0 302.468 4.249 20 30 DIEDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769536606 1052077736 /nfs/dbraw/zinc/07/77/36/1052077736.db2.gz BXCXUXSQCHUEQT-FUHWJXTLSA-N 1 0 300.446 4.378 20 30 DIEDRO CC[N@H+](CCCCC(C)(C)C#N)C[C@H](O)c1ccc(C)cc1 ZINC000769729382 1052098478 /nfs/dbraw/zinc/09/84/78/1052098478.db2.gz OSOJCADGDGWEDT-SFHVURJKSA-N 1 0 302.462 4.070 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(F)c3F)CCCC2)o1 ZINC000494840361 1052147607 /nfs/dbraw/zinc/14/76/07/1052147607.db2.gz OSXNASMZWMRVFY-UHFFFAOYSA-N 1 0 316.351 4.031 20 30 DIEDRO C[NH2+][C@H]1CC[C@H](O/C(=N/c2ccccc2)c2ccccc2)CC1 ZINC001217823617 1052148381 /nfs/dbraw/zinc/14/83/81/1052148381.db2.gz DHVHRXMJYFMTRK-BJRSDDCUSA-N 1 0 308.425 4.312 20 30 DIEDRO c1ccc(/N=C(/O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC001217825876 1052150098 /nfs/dbraw/zinc/15/00/98/1052150098.db2.gz YFHDFWKAXPXNKL-NYAUGKMWSA-N 1 0 306.409 4.065 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1OCc1c2ccccc2cc2ccccc21 ZINC001217832677 1052151328 /nfs/dbraw/zinc/15/13/28/1052151328.db2.gz UBGCVUOVFOOZBA-NRFANRHFSA-N 1 0 303.405 4.428 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](OCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217833527 1052151510 /nfs/dbraw/zinc/15/15/10/1052151510.db2.gz OUJNITFSQUFXAE-IEBWSBKVSA-N 1 0 315.533 4.015 20 30 DIEDRO Cc1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(C)s1 ZINC001174421011 1052151899 /nfs/dbraw/zinc/15/18/99/1052151899.db2.gz LEHNUTOEPOHYKI-UHFFFAOYSA-N 1 0 303.456 4.030 20 30 DIEDRO CCCCCCC[C@H](C)OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217842033 1052155021 /nfs/dbraw/zinc/15/50/21/1052155021.db2.gz XLHRTHUMIKXKBV-ZWKOTPCHSA-N 1 0 311.510 4.301 20 30 DIEDRO C=CC[C@H](OCC[C@@H]([NH3+])c1ccc(OC)cc1)c1ccccc1 ZINC001217877180 1052161733 /nfs/dbraw/zinc/16/17/33/1052161733.db2.gz YZJFPNMUFHRAFN-UXHICEINSA-N 1 0 311.425 4.419 20 30 DIEDRO CCCCCCCC[C@@H](C)OC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001217891372 1052164905 /nfs/dbraw/zinc/16/49/05/1052164905.db2.gz OPXNPIJNUBISCR-MSOLQXFVSA-N 1 0 311.510 4.301 20 30 DIEDRO CCC[C@H](C#Cc1ccccc1)OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217926761 1052171735 /nfs/dbraw/zinc/17/17/35/1052171735.db2.gz CRHZKIKSJBMBMZ-JOCHJYFZSA-N 1 0 319.448 4.069 20 30 DIEDRO [NH3+][C@H]1CC[C@H](CO[C@H](C#Cc2ccccc2)c2ccccc2)CC1 ZINC001217926760 1052171869 /nfs/dbraw/zinc/17/18/69/1052171869.db2.gz CRCJOBMDYBKZFB-CEMLEFRQSA-N 1 0 319.448 4.314 20 30 DIEDRO CCC[C@@H](C#Cc1ccccc1)OCCCCC1CC[NH2+]CC1 ZINC001217929252 1052172108 /nfs/dbraw/zinc/17/21/08/1052172108.db2.gz UIHFGXDMECMHCF-NRFANRHFSA-N 1 0 313.485 4.393 20 30 DIEDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccccc1C=Nc1ccccc1 ZINC001217991736 1052182795 /nfs/dbraw/zinc/18/27/95/1052182795.db2.gz XNFLWEXQALOXAB-VQIMIIECSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001218029632 1052188038 /nfs/dbraw/zinc/18/80/38/1052188038.db2.gz DMVUBICTJIFANZ-YAGTXNICSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@@H]1C[C@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)CC[NH2+]1 ZINC001218054728 1052189453 /nfs/dbraw/zinc/18/94/53/1052189453.db2.gz FWOLFXRJFIBXIH-OFHUKCQUSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@H]1C[C@@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)CC[NH2+]1 ZINC001218052763 1052189765 /nfs/dbraw/zinc/18/97/65/1052189765.db2.gz CSGLCIXHXRSTLK-SBGWCXSDSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]1C[C@@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001218055731 1052191278 /nfs/dbraw/zinc/19/12/78/1052191278.db2.gz JGCOMYQBTQBBGL-HPPYIQOSSA-N 1 0 321.420 4.102 20 30 DIEDRO C(=N/c1ccc(O[C@H]2CCC23CC[NH2+]CC3)cc1)\c1ccccc1 ZINC001218079422 1052193766 /nfs/dbraw/zinc/19/37/66/1052193766.db2.gz GOZQCKVOEGMTRP-NGIIGVMLSA-N 1 0 320.436 4.348 20 30 DIEDRO C(=N/c1ccc(O[C@@H]2CCC23CC[NH2+]CC3)cc1)\c1ccccc1 ZINC001218079425 1052194004 /nfs/dbraw/zinc/19/40/04/1052194004.db2.gz GOZQCKVOEGMTRP-OGTCDWKQSA-N 1 0 320.436 4.348 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2CC[C@]23CC[NH2+]C3)cc1 ZINC001218116516 1052198990 /nfs/dbraw/zinc/19/89/90/1052198990.db2.gz KJVJXPYRMVXEBS-WOJBJXKFSA-N 1 0 324.399 4.097 20 30 DIEDRO C=CC[NH+](CC=C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000495046161 1052203512 /nfs/dbraw/zinc/20/35/12/1052203512.db2.gz FZEBBDGEICJEAG-UHFFFAOYSA-N 1 0 321.346 4.270 20 30 DIEDRO C[NH2+][C@H]1CC[C@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC001218188347 1052204696 /nfs/dbraw/zinc/20/46/96/1052204696.db2.gz YGORGJHFXOZVGD-KESTWPANSA-N 1 0 306.409 4.135 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001218185401 1052204752 /nfs/dbraw/zinc/20/47/52/1052204752.db2.gz BFTZWISJZBZMAL-REPLKXPHSA-N 1 0 324.399 4.238 20 30 DIEDRO C[NH2+][C@H]1CC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC001218189850 1052205894 /nfs/dbraw/zinc/20/58/94/1052205894.db2.gz LVSVWPWGDROVCZ-KESTWPANSA-N 1 0 306.409 4.135 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccccc1-c1nc2ccccc2s1 ZINC001218206047 1052206890 /nfs/dbraw/zinc/20/68/90/1052206890.db2.gz IQYFKOICFJDTRU-KRWDZBQOSA-N 1 0 322.433 4.260 20 30 DIEDRO C[Si](C)(C)C#C[C@@H](Oc1cccc2c1C[NH2+]C2)c1ccccc1 ZINC001218214422 1052208843 /nfs/dbraw/zinc/20/88/43/1052208843.db2.gz NRLMDJGZCHMCMC-LJQANCHMSA-N 1 0 321.496 4.291 20 30 DIEDRO C=C[C@@H](CCCCC)Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218212069 1052209040 /nfs/dbraw/zinc/20/90/40/1052209040.db2.gz HRZALOJQFQQJRG-IBGZPJMESA-N 1 0 316.489 4.123 20 30 DIEDRO F[C@H]1[C@H]2CC[C@@H](C[C@H]1Oc1ccc(/N=C/c3ccccc3)cc1)[NH2+]2 ZINC001218281160 1052217955 /nfs/dbraw/zinc/21/79/55/1052217955.db2.gz VVXGCDJNVIJMAY-ZYWNOUNXSA-N 1 0 324.399 4.047 20 30 DIEDRO C(=N/c1ccc(O[C@H]2CC[NH2+]C3(CCC3)C2)cc1)\c1ccccc1 ZINC001218310764 1052223347 /nfs/dbraw/zinc/22/33/47/1052223347.db2.gz ZHJPQCOGRYTRPO-OFXNXBLFSA-N 1 0 320.436 4.491 20 30 DIEDRO CC1(C)C[NH2+]CCc2ccc(O[C@H](CC#N)c3ccccc3)cc21 ZINC001218317434 1052224767 /nfs/dbraw/zinc/22/47/67/1052224767.db2.gz MTFIAVUYJPPGOE-HXUWFJFHSA-N 1 0 320.436 4.144 20 30 DIEDRO C[C@@H]1CC[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)C[NH2+]1 ZINC001218396318 1052233519 /nfs/dbraw/zinc/23/35/19/1052233519.db2.gz AKBYSHPLEXSVJF-UZICZHQRSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]1CC[C@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C[NH2+]1 ZINC001218405769 1052236175 /nfs/dbraw/zinc/23/61/75/1052236175.db2.gz MCHFWLWDQQDEMV-KNXCTVGOSA-N 1 0 312.388 4.096 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc(-c2ccc(C#N)cc2)c1 ZINC001218456982 1052241634 /nfs/dbraw/zinc/24/16/34/1052241634.db2.gz AVOFYLAEOMZELF-NHCUHLMSSA-N 1 0 318.420 4.301 20 30 DIEDRO CC(C)(C)c1cccc(C#N)c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218489948 1052249281 /nfs/dbraw/zinc/24/92/81/1052249281.db2.gz QBVYQOJDQDKCTK-GOSISDBHSA-N 1 0 306.409 4.079 20 30 DIEDRO CCC[N@@H+](Cc1ccc(Br)cc1C#N)CC(C)C ZINC000310803777 1052274737 /nfs/dbraw/zinc/27/47/37/1052274737.db2.gz FAEWTOTUWGFFAW-UHFFFAOYSA-N 1 0 309.251 4.189 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000311595820 1052282250 /nfs/dbraw/zinc/28/22/50/1052282250.db2.gz FEVFUINBGXKKJI-GFCCVEGCSA-N 1 0 321.262 4.379 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000231750822 1052287861 /nfs/dbraw/zinc/28/78/61/1052287861.db2.gz MQGYEAVANYTTNL-ZETCQYMHSA-N 1 0 303.221 4.275 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219825195 1052305495 /nfs/dbraw/zinc/30/54/95/1052305495.db2.gz DZGYPNFOPOBVEM-HIFRSBDPSA-N 1 0 308.491 4.005 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219825197 1052305645 /nfs/dbraw/zinc/30/56/45/1052305645.db2.gz DZGYPNFOPOBVEM-ZFWWWQNUSA-N 1 0 308.491 4.005 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220162720 1052322310 /nfs/dbraw/zinc/32/23/10/1052322310.db2.gz LDVMOMAZJNAVPE-SCTDSRPQSA-N 1 0 308.510 4.022 20 30 DIEDRO C=C(C)c1cccc(NC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC001220336683 1052330494 /nfs/dbraw/zinc/33/04/94/1052330494.db2.gz DEFMVAMBSXESEW-UHFFFAOYSA-N 1 0 315.461 4.107 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000303667747 1052337181 /nfs/dbraw/zinc/33/71/81/1052337181.db2.gz XZDJJLAVZUIEFV-UHFFFAOYSA-N 1 0 306.409 4.113 20 30 DIEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000495406957 1052339109 /nfs/dbraw/zinc/33/91/09/1052339109.db2.gz HIQXQTQXFWHYKA-SJORKVTESA-N 1 0 308.425 4.109 20 30 DIEDRO C=CCCCCCCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001220545000 1052341066 /nfs/dbraw/zinc/34/10/66/1052341066.db2.gz JFUHHUHJJUJMNI-UHFFFAOYSA-N 1 0 323.525 4.121 20 30 DIEDRO CCCCCCCCCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000315680009 1052347976 /nfs/dbraw/zinc/34/79/76/1052347976.db2.gz BXZLTTAIUXAGJX-ROUUACIJSA-N 1 0 308.510 4.118 20 30 DIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000487913738 1052351807 /nfs/dbraw/zinc/35/18/07/1052351807.db2.gz IPOWOEVVUSRFLI-IBGZPJMESA-N 1 0 306.409 4.212 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000315889941 1052355915 /nfs/dbraw/zinc/35/59/15/1052355915.db2.gz PMRFMMPWNGECOY-CVEARBPZSA-N 1 0 306.498 4.404 20 30 DIEDRO CC(C)[C@@H](C[NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000915226450 1052370898 /nfs/dbraw/zinc/37/08/98/1052370898.db2.gz NYSGYIZLQYXUAT-HXUWFJFHSA-N 1 0 308.425 4.118 20 30 DIEDRO C[C@H](C/N=C/c1c(O)ccc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000915271533 1052380112 /nfs/dbraw/zinc/38/01/12/1052380112.db2.gz ZRMWCJCBXKIXKQ-FZWUDDDMSA-N 1 0 310.441 4.227 20 30 DIEDRO CC#CCCCCCCCC(=O)NC(C[NH3+])(CCC)CCC ZINC001221373570 1052387299 /nfs/dbraw/zinc/38/72/99/1052387299.db2.gz LBBIPWKTUTUZMO-UHFFFAOYSA-N 1 0 308.510 4.154 20 30 DIEDRO CCCCCCCC[N@@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000762638796 1052411527 /nfs/dbraw/zinc/41/15/27/1052411527.db2.gz FABMLNDGRRAXFF-KRWDZBQOSA-N 1 0 308.466 4.243 20 30 DIEDRO CC[C@H](CC#N)[NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000762795844 1052423748 /nfs/dbraw/zinc/42/37/48/1052423748.db2.gz ZDNNDHMQPKVLTM-HXUWFJFHSA-N 1 0 321.468 4.495 20 30 DIEDRO C=CCOc1ccc(CNc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000236685241 1052428614 /nfs/dbraw/zinc/42/86/14/1052428614.db2.gz GHQWYPWFFNZASC-UHFFFAOYSA-N 1 0 322.452 4.459 20 30 DIEDRO CCCN(CCC)c1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000915681327 1052469099 /nfs/dbraw/zinc/46/90/99/1052469099.db2.gz ZVSJPQHESOMUAV-UHFFFAOYSA-N 1 0 321.468 4.474 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(CNc3ccc(F)cc32)CC1 ZINC001222325689 1052484214 /nfs/dbraw/zinc/48/42/14/1052484214.db2.gz INDDZERUINRLJF-UHFFFAOYSA-N 1 0 302.437 4.331 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(O)ccc2OC)cc1 ZINC001222655750 1052522985 /nfs/dbraw/zinc/52/29/85/1052522985.db2.gz STGXCGMTVYRIEI-IBGZPJMESA-N 1 0 309.409 4.391 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC001222662956 1052524397 /nfs/dbraw/zinc/52/43/97/1052524397.db2.gz JBDOHHSUNMNFDF-UHFFFAOYSA-N 1 0 320.436 4.317 20 30 DIEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000153368659 1052534830 /nfs/dbraw/zinc/53/48/30/1052534830.db2.gz SHGILXSXQBXXJX-CQSZACIVSA-N 1 0 314.454 4.395 20 30 DIEDRO Cc1ccc(OC[C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000324536825 1052553478 /nfs/dbraw/zinc/55/34/78/1052553478.db2.gz IURQRPIKJQIHOM-IAGOWNOFSA-N 1 0 324.424 4.016 20 30 DIEDRO C[C@@H]([NH2+]C(C)(C)CNc1cccc(F)c1C#N)c1ccccc1 ZINC000488064860 1052571623 /nfs/dbraw/zinc/57/16/23/1052571623.db2.gz IEVFQVPUYCIXKK-CQSZACIVSA-N 1 0 311.404 4.239 20 30 DIEDRO CCCCCCCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000916194081 1052595730 /nfs/dbraw/zinc/59/57/30/1052595730.db2.gz FZGNVGLFPHYKRO-SFHVURJKSA-N 1 0 323.525 4.007 20 30 DIEDRO Cc1ccc(C)c(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000763383196 1052621268 /nfs/dbraw/zinc/62/12/68/1052621268.db2.gz ZMZDYBHWEKESII-UHFFFAOYSA-N 1 0 321.468 4.285 20 30 DIEDRO C=CC(C=C)OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001223630002 1052621982 /nfs/dbraw/zinc/62/19/82/1052621982.db2.gz OZIHVUSLWNATLI-UHFFFAOYSA-N 1 0 315.457 4.199 20 30 DIEDRO CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000763405393 1052624040 /nfs/dbraw/zinc/62/40/40/1052624040.db2.gz ABNZSCBVYOQFHK-IBGZPJMESA-N 1 0 300.446 4.026 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O[C@@H](C#N)c1ccccc1 ZINC001223709618 1052629069 /nfs/dbraw/zinc/62/90/69/1052629069.db2.gz NTIMXSMPPITSRQ-QMMLZNLJSA-N 1 0 320.436 4.178 20 30 DIEDRO N#C[C@H](O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC001223711203 1052629240 /nfs/dbraw/zinc/62/92/40/1052629240.db2.gz OKNXLXIMKBBZGZ-QUCCMNQESA-N 1 0 324.399 4.072 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(C)c2)C(C)C)cc1 ZINC000488171962 1052632240 /nfs/dbraw/zinc/63/22/40/1052632240.db2.gz ULCWQIFVMPLKAS-HXUWFJFHSA-N 1 0 308.425 4.362 20 30 DIEDRO C=CCOc1ccccc1CO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001223785065 1052637738 /nfs/dbraw/zinc/63/77/38/1052637738.db2.gz DBAJUBBJKIGBOL-FQEVSTJZSA-N 1 0 323.436 4.043 20 30 DIEDRO C=CCOc1ccccc1CO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001223785066 1052637742 /nfs/dbraw/zinc/63/77/42/1052637742.db2.gz DBAJUBBJKIGBOL-HXUWFJFHSA-N 1 0 323.436 4.043 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000125617498 1052650889 /nfs/dbraw/zinc/65/08/89/1052650889.db2.gz BKLYSMOAHNGUFY-HNNXBMFYSA-N 1 0 312.251 4.083 20 30 DIEDRO CC[NH+]1CCC(O/C(=N/c2ccccc2)c2ccccc2)CC1 ZINC001224087820 1052667090 /nfs/dbraw/zinc/66/70/90/1052667090.db2.gz QWRBJKSJSXMDDR-QZQOTICOSA-N 1 0 308.425 4.266 20 30 DIEDRO N#CCCCCCCOC1CC[NH+](CCc2ccccc2)CC1 ZINC001224374852 1052692011 /nfs/dbraw/zinc/69/20/11/1052692011.db2.gz DSOVFORLHAOMHJ-UHFFFAOYSA-N 1 0 314.473 4.184 20 30 DIEDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](OCCCCCCC#N)C1 ZINC001224376684 1052693098 /nfs/dbraw/zinc/69/30/98/1052693098.db2.gz URAORGSTMTWJRL-ZWKOTPCHSA-N 1 0 315.461 4.098 20 30 DIEDRO C=CCCCCCOC1CC[NH+](CCc2ccccc2)CC1 ZINC001224427699 1052696220 /nfs/dbraw/zinc/69/62/20/1052696220.db2.gz HHCMLXVWNKHQND-UHFFFAOYSA-N 1 0 301.474 4.457 20 30 DIEDRO C=CCCCCCO[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001224427970 1052696419 /nfs/dbraw/zinc/69/64/19/1052696419.db2.gz OBSZZDXPRBCKOO-QUCCMNQESA-N 1 0 317.473 4.039 20 30 DIEDRO C[C@@H]([C@H](OCC#C[Si](C)(C)C)c1ccccc1)[NH+]1CCCC1 ZINC001224615152 1052709417 /nfs/dbraw/zinc/70/94/17/1052709417.db2.gz AGPMHFVRRWLVDV-HKUYNNGSSA-N 1 0 315.533 4.109 20 30 DIEDRO CCCCCCCOC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001224619114 1052710360 /nfs/dbraw/zinc/71/03/60/1052710360.db2.gz LFOYHRFXXBYJCZ-FQEVSTJZSA-N 1 0 319.489 4.265 20 30 DIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OCCCCCC#N ZINC001224693044 1052716410 /nfs/dbraw/zinc/71/64/10/1052716410.db2.gz QRDXWEUBWVHYLT-LJQANCHMSA-N 1 0 314.473 4.388 20 30 DIEDRO C#C[C@@H](OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224825317 1052728917 /nfs/dbraw/zinc/72/89/17/1052728917.db2.gz JAKYKQSBDCTGER-RBBKRZOGSA-N 1 0 319.448 4.290 20 30 DIEDRO C[C@H](CC(C)(C)S)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224823752 1052729162 /nfs/dbraw/zinc/72/91/62/1052729162.db2.gz GVFREMFTDQYDGM-AEFFLSMTSA-N 1 0 321.530 4.402 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)OCCC[NH+]1CCCCC1 ZINC001224861581 1052731817 /nfs/dbraw/zinc/73/18/17/1052731817.db2.gz XZMQRQOYUCXZHU-QGZVFWFLSA-N 1 0 303.446 4.205 20 30 DIEDRO C[NH+](C)CCCCO[C@@H]1Cc2ccccc2C#Cc2ccccc21 ZINC001224990839 1052740740 /nfs/dbraw/zinc/74/07/40/1052740740.db2.gz HOHWHLBMNYOSED-JOCHJYFZSA-N 1 0 319.448 4.042 20 30 DIEDRO C=CC[C@@H](C)OC[C@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001225152355 1052750210 /nfs/dbraw/zinc/75/02/10/1052750210.db2.gz QHRKGCVPETWNQN-XLIONFOSSA-N 1 0 317.473 4.037 20 30 DIEDRO C=CC[C@@H](C)OC[C@@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001225152356 1052750702 /nfs/dbraw/zinc/75/07/02/1052750702.db2.gz QHRKGCVPETWNQN-YLJYHZDGSA-N 1 0 317.473 4.037 20 30 DIEDRO C[C@@H]([C@H](Oc1cccc(C#N)c1)c1ccccc1)[NH+]1CCCC1 ZINC001225221266 1052757981 /nfs/dbraw/zinc/75/79/81/1052757981.db2.gz IQRNZCGOMRKBJD-JXFKEZNVSA-N 1 0 306.409 4.163 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CC#N)cc1 ZINC001225263580 1052765922 /nfs/dbraw/zinc/76/59/22/1052765922.db2.gz GQKKAZIPMCAZIE-UTKZUKDTSA-N 1 0 320.436 4.042 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CC#N)cc1 ZINC001225263581 1052766209 /nfs/dbraw/zinc/76/62/09/1052766209.db2.gz GQKKAZIPMCAZIE-UWJYYQICSA-N 1 0 320.436 4.042 20 30 DIEDRO N#Cc1ccc(-c2ccc(OC3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC001225334733 1052775590 /nfs/dbraw/zinc/77/55/90/1052775590.db2.gz RDYGJDRZOYIRPM-UHFFFAOYSA-N 1 0 318.420 4.231 20 30 DIEDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225335411 1052776145 /nfs/dbraw/zinc/77/61/45/1052776145.db2.gz UXKSEHOWIJYSHF-HXUWFJFHSA-N 1 0 306.409 4.088 20 30 DIEDRO C[NH+](C)C1CCC(Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC001225335869 1052776336 /nfs/dbraw/zinc/77/63/36/1052776336.db2.gz XUBPOQKLLPCWRP-UHFFFAOYSA-N 1 0 320.436 4.477 20 30 DIEDRO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc(C[NH+](C)C)cc2)O1 ZINC001225335282 1052776487 /nfs/dbraw/zinc/77/64/87/1052776487.db2.gz YUTTYGQTSABREN-PKOBYXMFSA-N 1 0 303.446 4.029 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000129336726 1052783347 /nfs/dbraw/zinc/78/33/47/1052783347.db2.gz PBNYBEOYOFLDKS-VIFPVBQESA-N 1 0 306.294 4.080 20 30 DIEDRO Cc1c(C)c(O[C@@H](CC[NH+](C)C)c2ccccc2)ccc1C#N ZINC001225512900 1052797967 /nfs/dbraw/zinc/79/79/67/1052797967.db2.gz GNUXRDUVIFXUKJ-FQEVSTJZSA-N 1 0 308.425 4.247 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC2(c3ccccc3OC)CC2)c1 ZINC000556220975 1052824071 /nfs/dbraw/zinc/82/40/71/1052824071.db2.gz CMTAUZPHSBJHGW-UHFFFAOYSA-N 1 0 323.436 4.081 20 30 DIEDRO C[C@@H]([C@H](Oc1cccc(/C=N/O)c1)c1ccccc1)[NH+]1CCCC1 ZINC001226110378 1052869035 /nfs/dbraw/zinc/86/90/35/1052869035.db2.gz QNFZLEYEUBOGRI-NVXFZSFRSA-N 1 0 324.424 4.099 20 30 DIEDRO CCCCCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000919654824 1052879967 /nfs/dbraw/zinc/87/99/67/1052879967.db2.gz OCECDKXIAKHOCZ-MSOLQXFVSA-N 1 0 323.525 4.005 20 30 DIEDRO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000919654721 1052880057 /nfs/dbraw/zinc/88/00/57/1052880057.db2.gz IPWRYVYPAIZEPP-ZWKOTPCHSA-N 1 0 323.525 4.005 20 30 DIEDRO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cc(N)[nH+]c3ccccc32)O1 ZINC001226423429 1052895119 /nfs/dbraw/zinc/89/51/19/1052895119.db2.gz XBFBJUMFNKCDDX-VQIMIIECSA-N 1 0 312.413 4.098 20 30 DIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1ccc(C#N)s1 ZINC000556901709 1052895597 /nfs/dbraw/zinc/89/55/97/1052895597.db2.gz QKAVJTUXPDIYTB-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000556909598 1052896930 /nfs/dbraw/zinc/89/69/30/1052896930.db2.gz HTETZYGYLFFLFD-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000556909299 1052897187 /nfs/dbraw/zinc/89/71/87/1052897187.db2.gz AXDRNSLLULASMT-UHFFFAOYSA-N 1 0 315.457 4.080 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)s1 ZINC000556909395 1052897215 /nfs/dbraw/zinc/89/72/15/1052897215.db2.gz BUKBEOHVJQSCDQ-ZDUSSCGKSA-N 1 0 302.830 4.263 20 30 DIEDRO CC(C)[NH+]1CCC(Oc2c(Cl)cc(C#N)cc2Cl)CC1 ZINC001226585710 1052912506 /nfs/dbraw/zinc/91/25/06/1052912506.db2.gz QCBNAEVVUZUFRF-UHFFFAOYSA-N 1 0 313.228 4.117 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000920182001 1052925080 /nfs/dbraw/zinc/92/50/80/1052925080.db2.gz ZQEZIOYODNMZQM-UHFFFAOYSA-N 1 0 323.436 4.023 20 30 DIEDRO CCCC1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000920181556 1052925191 /nfs/dbraw/zinc/92/51/91/1052925191.db2.gz WORQCITYIVNWIV-UHFFFAOYSA-N 1 0 313.489 4.485 20 30 DIEDRO C[C@@H](N[NH+]=Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000920386330 1052937160 /nfs/dbraw/zinc/93/71/60/1052937160.db2.gz XPZNHWWJOGQPBX-QGZVFWFLSA-N 1 0 307.441 4.362 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000920415174 1052938269 /nfs/dbraw/zinc/93/82/69/1052938269.db2.gz IUTGLFSWHZEHIF-UHFFFAOYSA-N 1 0 323.436 4.166 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc2ccccc2s1 ZINC000920414894 1052938744 /nfs/dbraw/zinc/93/87/44/1052938744.db2.gz PKQUCQUVGBLSOM-UHFFFAOYSA-N 1 0 307.418 4.203 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755258 1052945257 /nfs/dbraw/zinc/94/52/57/1052945257.db2.gz DTHQAGNECAPLNL-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000920810014 1052951738 /nfs/dbraw/zinc/95/17/38/1052951738.db2.gz XGFRAQLVWMTEMH-KSZLIROESA-N 1 0 308.510 4.211 20 30 DIEDRO N#CC1(c2ccc(Nc3c[nH+]ccc3N3CCCCC3)cc2)CC1 ZINC001212251506 1052957471 /nfs/dbraw/zinc/95/74/71/1052957471.db2.gz GYSIUVWDODPGLO-UHFFFAOYSA-N 1 0 318.424 4.371 20 30 DIEDRO N#CC1(c2ccc(Nc3cccc(-n4ccnc4)c3)cc2)CC1 ZINC001212253341 1052966082 /nfs/dbraw/zinc/96/60/82/1052966082.db2.gz ICSOPJGRQJQNRG-UHFFFAOYSA-N 1 0 300.365 4.171 20 30 DIEDRO Cc1ccc([C@@H](C/N=C/c2cc(Cl)ccc2O)[NH+](C)C)cc1 ZINC000921262109 1052966489 /nfs/dbraw/zinc/96/64/89/1052966489.db2.gz ZXXPRQRGIDKOAR-MLHZQLSASA-N 1 0 316.832 4.076 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1ccc(Cl)cc1C#N)c1cccs1 ZINC001227204985 1052972463 /nfs/dbraw/zinc/97/24/63/1052972463.db2.gz AWUWSCMODPGPDU-HNNXBMFYSA-N 1 0 320.845 4.345 20 30 DIEDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000763452773 1052976610 /nfs/dbraw/zinc/97/66/10/1052976610.db2.gz KEMJQLBCSHRVMM-NRFANRHFSA-N 1 0 320.436 4.344 20 30 DIEDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000763452774 1052976699 /nfs/dbraw/zinc/97/66/99/1052976699.db2.gz KEMJQLBCSHRVMM-OAQYLSRUSA-N 1 0 320.436 4.344 20 30 DIEDRO CC1(C)C[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609433181 1052977332 /nfs/dbraw/zinc/97/73/32/1052977332.db2.gz DRMJPRGWKULSNL-IBGZPJMESA-N 1 0 306.409 4.025 20 30 DIEDRO CCN(Cc1noc2c1CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000609417422 1052978198 /nfs/dbraw/zinc/97/81/98/1052978198.db2.gz JYDNAJQMIRQBDX-CQSZACIVSA-N 1 0 309.413 4.008 20 30 DIEDRO Cc1cc(O[C@H](CC#N)C[N+](C)(C)C)c(C(C)C)cc1Cl ZINC001227334375 1052982896 /nfs/dbraw/zinc/98/28/96/1052982896.db2.gz IRPXIXWIYRHRBU-CQSZACIVSA-N 1 0 309.861 4.139 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000609744346 1052989930 /nfs/dbraw/zinc/98/99/30/1052989930.db2.gz CZOHMVSGNJEQDN-UHFFFAOYSA-N 1 0 312.363 4.044 20 30 DIEDRO Cc1ccc(F)c(C[NH2+]CCSCc2ccccc2C#N)c1 ZINC000609740924 1052990076 /nfs/dbraw/zinc/99/00/76/1052990076.db2.gz BRNRTUGFSOFBHJ-UHFFFAOYSA-N 1 0 314.429 4.029 20 30 DIEDRO CC[N@@H+]1CC[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)C1 ZINC001227435187 1052991381 /nfs/dbraw/zinc/99/13/81/1052991381.db2.gz SOCHFZVMKDDFET-QFQMRYFISA-N 1 0 321.420 4.056 20 30 DIEDRO Cc1cc(C)c(C)c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001227505472 1052996524 /nfs/dbraw/zinc/99/65/24/1052996524.db2.gz FDCNISXCYPIEEM-FQEVSTJZSA-N 1 0 320.436 4.137 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000610001811 1053002402 /nfs/dbraw/zinc/00/24/02/1053002402.db2.gz BQMBZWBCXOQPLB-CRAIPNDOSA-N 1 0 308.400 4.384 20 30 DIEDRO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000610162020 1053009117 /nfs/dbraw/zinc/00/91/17/1053009117.db2.gz AITNUPQOVBONPI-OAHLLOKOSA-N 1 0 320.864 4.297 20 30 DIEDRO Cc1cc(C)c(CC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(C)c1 ZINC000237571678 1053013271 /nfs/dbraw/zinc/01/32/71/1053013271.db2.gz VJJBXKABQRJABI-GOSISDBHSA-N 1 0 322.452 4.235 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)cc1 ZINC000237582256 1053013365 /nfs/dbraw/zinc/01/33/65/1053013365.db2.gz OTANZAKOODTBIT-IAGOWNOFSA-N 1 0 322.452 4.433 20 30 DIEDRO Cc1ccccc1C1(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000237592721 1053013850 /nfs/dbraw/zinc/01/38/50/1053013850.db2.gz SQMSEYXQYYSZRD-QGZVFWFLSA-N 1 0 320.436 4.107 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1cccc(Cl)c1C#N)c1ccccc1 ZINC001227788592 1053016907 /nfs/dbraw/zinc/01/69/07/1053016907.db2.gz CDQIEZNIADEEHT-QGZVFWFLSA-N 1 0 314.816 4.283 20 30 DIEDRO CC(C)([NH2+]Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000179598426 1053017315 /nfs/dbraw/zinc/01/73/15/1053017315.db2.gz XALYINFKIIGUCF-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO Cc1ccccc1C(C)(C)C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237694258 1053021519 /nfs/dbraw/zinc/02/15/19/1053021519.db2.gz OCLKVAFJWSXTFA-KRWDZBQOSA-N 1 0 322.452 4.353 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000237833782 1053031230 /nfs/dbraw/zinc/03/12/30/1053031230.db2.gz MMVROPWSXKXMTJ-UHFFFAOYSA-N 1 0 302.377 4.032 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CC=CCC3)c2)c1 ZINC000237848925 1053033703 /nfs/dbraw/zinc/03/37/03/1053033703.db2.gz VCZJOUSMCGLQQJ-FQEVSTJZSA-N 1 0 318.420 4.336 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)C1CCC(F)(F)CC1 ZINC000616092037 1053046556 /nfs/dbraw/zinc/04/65/56/1053046556.db2.gz DDGPLUGREUUDGY-CYBMUJFWSA-N 1 0 304.384 4.351 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180541939 1053065823 /nfs/dbraw/zinc/06/58/23/1053065823.db2.gz IHOZHVHWPGOCMF-HZPDHXFCSA-N 1 0 324.424 4.399 20 30 DIEDRO Cc1cccc(C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CC2)c1 ZINC000180559906 1053070976 /nfs/dbraw/zinc/07/09/76/1053070976.db2.gz CLKIIIJPJWOVLN-OAQYLSRUSA-N 1 0 320.436 4.008 20 30 DIEDRO C=CC(C=C)Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001228373766 1053084698 /nfs/dbraw/zinc/08/46/98/1053084698.db2.gz BIWWLMBMLPQGNC-UHFFFAOYSA-N 1 0 308.425 4.340 20 30 DIEDRO C#C[C@@H](CC)Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001228374555 1053087524 /nfs/dbraw/zinc/08/75/24/1053087524.db2.gz LXCLSSPZCVGEJP-KRWDZBQOSA-N 1 0 308.425 4.011 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1SC ZINC000069160058 1053125089 /nfs/dbraw/zinc/12/50/89/1053125089.db2.gz DQXBPOKRYICXEM-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccccc1C=Nc1ccccc1)C2 ZINC001228565543 1053135494 /nfs/dbraw/zinc/13/54/94/1053135494.db2.gz SKPVPNBUQQCOHK-ACDBMABISA-N 1 0 320.436 4.441 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000617569674 1053165655 /nfs/dbraw/zinc/16/56/55/1053165655.db2.gz FNIWYDKIXYKKDH-UHFFFAOYSA-N 1 0 319.452 4.262 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cn1)Cc1ccc(C(C)(C)C)cc1 ZINC000780556429 1053179265 /nfs/dbraw/zinc/17/92/65/1053179265.db2.gz YMJXPWBKPWGJCS-MRXNPFEDSA-N 1 0 321.468 4.219 20 30 DIEDRO CCC#C[C@@H](C)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228824008 1053188433 /nfs/dbraw/zinc/18/84/33/1053188433.db2.gz WHVPTDQCROHJMC-OAHLLOKOSA-N 1 0 310.441 4.158 20 30 DIEDRO CC[C@@H](c1cccc(O[C@H](C)[C@H](C)S)c1)[C@@H](C)C[NH+](C)C ZINC001228897366 1053203799 /nfs/dbraw/zinc/20/37/99/1053203799.db2.gz MWZYGGRMZWQOMG-JTOWHCCKSA-N 1 0 309.519 4.464 20 30 DIEDRO C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000181420632 1053205699 /nfs/dbraw/zinc/20/56/99/1053205699.db2.gz HXHBWYPNOAVLNE-IAGOWNOFSA-N 1 0 308.425 4.377 20 30 DIEDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000181517560 1053231830 /nfs/dbraw/zinc/23/18/30/1053231830.db2.gz BYBMWDVLQZGVMT-OAHLLOKOSA-N 1 0 321.424 4.148 20 30 DIEDRO C[NH+]1C(C)(C)CC(Oc2cccc(C#N)c2Cl)CC1(C)C ZINC001229069261 1053237181 /nfs/dbraw/zinc/23/71/81/1053237181.db2.gz ITEZWZSYBSNJAU-UHFFFAOYSA-N 1 0 306.837 4.242 20 30 DIEDRO COc1ccc(C[C@H](C)C[N@H+](C)CCCC(C)(C)C#N)cc1 ZINC000090618829 1053238872 /nfs/dbraw/zinc/23/88/72/1053238872.db2.gz IZXIWCGUADFVQZ-INIZCTEOSA-N 1 0 302.462 4.136 20 30 DIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)CCCC(C)(C)C#N)cc1 ZINC000090618830 1053239731 /nfs/dbraw/zinc/23/97/31/1053239731.db2.gz IZXIWCGUADFVQZ-MRXNPFEDSA-N 1 0 302.462 4.136 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001474738720 1053240973 /nfs/dbraw/zinc/24/09/73/1053240973.db2.gz XURHKJXZZNABKZ-HZMVEIRTSA-N 1 0 322.493 4.251 20 30 DIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000181571888 1053248233 /nfs/dbraw/zinc/24/82/33/1053248233.db2.gz RJCKCGKAAIRWGW-HNAYVOBHSA-N 1 0 306.409 4.317 20 30 DIEDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000181583895 1053253525 /nfs/dbraw/zinc/25/35/25/1053253525.db2.gz ZPXCAIWMNDMOKR-KRWDZBQOSA-N 1 0 308.425 4.099 20 30 DIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181594088 1053254530 /nfs/dbraw/zinc/25/45/30/1053254530.db2.gz INSFAPJHKWTLKU-SJORKVTESA-N 1 0 308.425 4.433 20 30 DIEDRO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)COCc1ccccc1 ZINC000181607032 1053258807 /nfs/dbraw/zinc/25/88/07/1053258807.db2.gz SSJVHUXSIFKLBL-IAGOWNOFSA-N 1 0 308.425 4.062 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001360675123 1053260456 /nfs/dbraw/zinc/26/04/56/1053260456.db2.gz WFHDTWJPMOUUJA-KSZLIROESA-N 1 0 310.526 4.314 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001319732164 1053268183 /nfs/dbraw/zinc/26/81/83/1053268183.db2.gz AXPOGBKHKYZZOT-NRFANRHFSA-N 1 0 304.437 4.141 20 30 DIEDRO Cc1cccc(C#N)c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001229180665 1053269187 /nfs/dbraw/zinc/26/91/87/1053269187.db2.gz AJVLMOWGNHLVKF-YLJYHZDGSA-N 1 0 320.436 4.156 20 30 DIEDRO Cc1ccc(OCCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181644730 1053271463 /nfs/dbraw/zinc/27/14/63/1053271463.db2.gz UCIGTTBTVPBDKJ-QGZVFWFLSA-N 1 0 324.424 4.017 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000449546986 1053276617 /nfs/dbraw/zinc/27/66/17/1053276617.db2.gz GETMFAQTMCIHCE-RYKAKRHSSA-N 1 0 305.384 4.067 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1cc(C#N)ccc1Cl)c1ccccc1 ZINC001229249879 1053282551 /nfs/dbraw/zinc/28/25/51/1053282551.db2.gz BGNCOOFTZAFONC-QGZVFWFLSA-N 1 0 314.816 4.283 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)CC1 ZINC000181716944 1053283502 /nfs/dbraw/zinc/28/35/02/1053283502.db2.gz IADDCYXTOPYXCY-CYBMUJFWSA-N 1 0 318.848 4.387 20 30 DIEDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccc(OCC#N)cc1 ZINC000181730330 1053286445 /nfs/dbraw/zinc/28/64/45/1053286445.db2.gz MPJJDLWPEKSGSB-OAHLLOKOSA-N 1 0 312.388 4.011 20 30 DIEDRO C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cccc(C#N)c1 ZINC000181749250 1053286886 /nfs/dbraw/zinc/28/68/86/1053286886.db2.gz JELGEGVPEIGGPK-IAGOWNOFSA-N 1 0 321.468 4.338 20 30 DIEDRO C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cccc(C#N)c1 ZINC000181749198 1053286922 /nfs/dbraw/zinc/28/69/22/1053286922.db2.gz JELGEGVPEIGGPK-IRXDYDNUSA-N 1 0 321.468 4.338 20 30 DIEDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc(OCC#N)cc1 ZINC000181730318 1053287353 /nfs/dbraw/zinc/28/73/53/1053287353.db2.gz MPJJDLWPEKSGSB-HNNXBMFYSA-N 1 0 312.388 4.011 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000181763500 1053289092 /nfs/dbraw/zinc/28/90/92/1053289092.db2.gz CRNMUXHBESVZAG-BEFAXECRSA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@H]([NH2+]CCCCOc1ccccc1)c1ccc(C#N)cc1F ZINC001319961465 1053289261 /nfs/dbraw/zinc/28/92/61/1053289261.db2.gz CBTNARKPMCMVLJ-HNNXBMFYSA-N 1 0 312.388 4.207 20 30 DIEDRO Cc1ccc([C@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181778865 1053290465 /nfs/dbraw/zinc/29/04/65/1053290465.db2.gz ZQOBYSBOOQORSH-IAGOWNOFSA-N 1 0 308.425 4.352 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 ZINC001319971535 1053291226 /nfs/dbraw/zinc/29/12/26/1053291226.db2.gz YGHIIJCGJLJRFN-HNNXBMFYSA-N 1 0 309.837 4.192 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000618280085 1053292821 /nfs/dbraw/zinc/29/28/21/1053292821.db2.gz UGNHSURUDFBDCM-GOSISDBHSA-N 1 0 300.446 4.170 20 30 DIEDRO C=C(C)C[C@@H](Oc1ccc(C(=O)CC[NH+](C)C)cc1)C(=C)C ZINC001229303526 1053295986 /nfs/dbraw/zinc/29/59/86/1053295986.db2.gz UCDUHVWPBJBGRK-LJQANCHMSA-N 1 0 301.430 4.111 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1cccc(OCC#N)c1)C1CCCCC1 ZINC001320025953 1053296978 /nfs/dbraw/zinc/29/69/78/1053296978.db2.gz KERUSEHDYOMITB-LJQANCHMSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000181837385 1053297659 /nfs/dbraw/zinc/29/76/59/1053297659.db2.gz KZCPRSKDEMBVFJ-HNNXBMFYSA-N 1 0 316.445 4.111 20 30 DIEDRO C=CCc1ccc(O)c(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001229338367 1053300527 /nfs/dbraw/zinc/30/05/27/1053300527.db2.gz FLGSZEQLZBHSOE-UHFFFAOYSA-N 1 0 303.446 4.151 20 30 DIEDRO C=CCc1ccc(O)c(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001229341040 1053301264 /nfs/dbraw/zinc/30/12/64/1053301264.db2.gz DZVVDLWUWSRPSG-IBGZPJMESA-N 1 0 323.436 4.164 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC001320087228 1053302285 /nfs/dbraw/zinc/30/22/85/1053302285.db2.gz WGGKOQGUOGLBFJ-LJQANCHMSA-N 1 0 323.436 4.139 20 30 DIEDRO C[C@H](C[N+](C)(C)C)Oc1ccc(/C=N/c2ccc(F)cc2)cc1 ZINC001229357353 1053307236 /nfs/dbraw/zinc/30/72/36/1053307236.db2.gz SWRJZAUSMDLLJR-NWGMWSOJSA-N 1 0 315.412 4.050 20 30 DIEDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC001320126281 1053307752 /nfs/dbraw/zinc/30/77/52/1053307752.db2.gz XWCQUXGBFRPRIE-LRDDRELGSA-N 1 0 310.372 4.050 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000181997890 1053323228 /nfs/dbraw/zinc/32/32/28/1053323228.db2.gz OCKXNXPZQPBYCM-SCLBCKFNSA-N 1 0 314.816 4.250 20 30 DIEDRO CCc1ccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181996940 1053323255 /nfs/dbraw/zinc/32/32/55/1053323255.db2.gz SKEAJEKCIUWIJR-MRXNPFEDSA-N 1 0 308.425 4.045 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000182000455 1053323431 /nfs/dbraw/zinc/32/34/31/1053323431.db2.gz CJKOYNKJZJJAFW-LPHOPBHVSA-N 1 0 320.436 4.360 20 30 DIEDRO CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000618572216 1053324607 /nfs/dbraw/zinc/32/46/07/1053324607.db2.gz VJNXACYIMLWPTD-KRWDZBQOSA-N 1 0 316.445 4.111 20 30 DIEDRO CCO[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000618578908 1053325311 /nfs/dbraw/zinc/32/53/11/1053325311.db2.gz SSEZAFDXJYHISG-NHCUHLMSSA-N 1 0 320.436 4.303 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000618742716 1053357320 /nfs/dbraw/zinc/35/73/20/1053357320.db2.gz QCQWWRSBLNPCOE-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000618742093 1053358703 /nfs/dbraw/zinc/35/87/03/1053358703.db2.gz JPBCUBOAQPWMCU-GOSISDBHSA-N 1 0 323.465 4.449 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000618741655 1053359342 /nfs/dbraw/zinc/35/93/42/1053359342.db2.gz HLTOWFNGHWOAOF-MRXNPFEDSA-N 1 0 321.405 4.052 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(Cl)ccc1F ZINC000618742750 1053360412 /nfs/dbraw/zinc/36/04/12/1053360412.db2.gz RBBQCHLXDYWKPH-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000618741873 1053360647 /nfs/dbraw/zinc/36/06/47/1053360647.db2.gz IOCQKAPUBAWGGG-KRWDZBQOSA-N 1 0 316.326 4.354 20 30 DIEDRO C=CCOc1ccccc1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001229614619 1053366799 /nfs/dbraw/zinc/36/67/99/1053366799.db2.gz UKDLILXMUUOQHL-KRWDZBQOSA-N 1 0 317.454 4.385 20 30 DIEDRO CCCCCCCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001545838343 1053369180 /nfs/dbraw/zinc/36/91/80/1053369180.db2.gz KPFNYWVPNZDZMF-UHFFFAOYSA-N 1 0 315.461 4.381 20 30 DIEDRO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618805247 1053371081 /nfs/dbraw/zinc/37/10/81/1053371081.db2.gz FNVPDPFBUKTIGG-IFXJQAMLSA-N 1 0 322.477 4.488 20 30 DIEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804744 1053371099 /nfs/dbraw/zinc/37/10/99/1053371099.db2.gz LSVPDXFCWISVEZ-VBKZILBWSA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804666 1053371354 /nfs/dbraw/zinc/37/13/54/1053371354.db2.gz LOIZTJBRIAJNJC-XOBRGWDASA-N 1 0 308.400 4.296 20 30 DIEDRO CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618806342 1053371591 /nfs/dbraw/zinc/37/15/91/1053371591.db2.gz QSRYJLZQQUGOGK-BZNIZROVSA-N 1 0 311.454 4.224 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618806885 1053372420 /nfs/dbraw/zinc/37/24/20/1053372420.db2.gz SYGCXQQCVKLBNW-NHCUHLMSSA-N 1 0 318.420 4.221 20 30 DIEDRO CC[C@]1(c2cccc(O[C@H](C)CS)c2)CCCC[N@H+](C)C1 ZINC001229648460 1053373708 /nfs/dbraw/zinc/37/37/08/1053373708.db2.gz VDLVXUZYYYPZAI-QAPCUYQASA-N 1 0 307.503 4.147 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618807183 1053374139 /nfs/dbraw/zinc/37/41/39/1053374139.db2.gz VHASFHIOBGGLNQ-KPZWWZAWSA-N 1 0 310.372 4.044 20 30 DIEDRO CC[C@@]1(c2cccc(OC3CC(C#N)C3)c2)CCCC[N@H+](C)C1 ZINC001229648999 1053375176 /nfs/dbraw/zinc/37/51/76/1053375176.db2.gz ZTDGZDIIUPPWFP-RRWXTXHCSA-N 1 0 312.457 4.131 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCCCCOc1ccccc1 ZINC000618831321 1053376666 /nfs/dbraw/zinc/37/66/66/1053376666.db2.gz JVDWSFYKEPEYSA-NRFANRHFSA-N 1 0 320.436 4.384 20 30 DIEDRO CC(C)(C)Oc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC001321016569 1053380682 /nfs/dbraw/zinc/38/06/82/1053380682.db2.gz XJCDIVIFRJWSGD-IAGOWNOFSA-N 1 0 300.446 4.078 20 30 DIEDRO CC(C)c1ccc(O[C@H](CC#N)C[N+](C)(C)C)c(C(C)C)c1 ZINC001229680131 1053381356 /nfs/dbraw/zinc/38/13/56/1053381356.db2.gz MCEIDCPWOKGWFI-QGZVFWFLSA-N 1 0 303.470 4.301 20 30 DIEDRO CCc1cccc(Cl)c1C[NH2+]Cc1cccc(OCC#N)c1 ZINC001320999441 1053381477 /nfs/dbraw/zinc/38/14/77/1053381477.db2.gz LKAOWNIEVZTFEE-UHFFFAOYSA-N 1 0 314.816 4.095 20 30 DIEDRO C=CC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000093359236 1053396624 /nfs/dbraw/zinc/39/66/24/1053396624.db2.gz BUOLPNWVQMVRFH-UHFFFAOYSA-N 1 0 308.425 4.059 20 30 DIEDRO CCOc1ccc(C[N@H+](C)CCCCC(C)(C)C#N)cc1OC ZINC001321217692 1053401226 /nfs/dbraw/zinc/40/12/26/1053401226.db2.gz DWKUHNALLGCAIA-UHFFFAOYSA-N 1 0 318.461 4.246 20 30 DIEDRO C=C(C[NH2+]Cc1c(C)nc2scc(C3CC3)n12)c1ccccc1 ZINC001200136193 1053407846 /nfs/dbraw/zinc/40/78/46/1053407846.db2.gz WTMGKEJYUYQHMD-UHFFFAOYSA-N 1 0 323.465 4.385 20 30 DIEDRO CSc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC001321356151 1053409230 /nfs/dbraw/zinc/40/92/30/1053409230.db2.gz VXMUYPWTVMCQIB-AWEZNQCLSA-N 1 0 312.438 4.162 20 30 DIEDRO Cc1ccccc1C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)C1CC1 ZINC001321756110 1053432164 /nfs/dbraw/zinc/43/21/64/1053432164.db2.gz XFKIYTYSXDHVOA-OAQYLSRUSA-N 1 0 320.436 4.008 20 30 DIEDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccccc2/C=N/c2ccccc2O)C1 ZINC001229932549 1053433572 /nfs/dbraw/zinc/43/35/72/1053433572.db2.gz DSGUKKQRAUHAFA-VYVDHXHBSA-N 1 0 324.424 4.004 20 30 DIEDRO CC(C)[N@@H+]1CC[C@H](Oc2ccccc2/C=N/c2ccccc2O)C1 ZINC001229932548 1053434409 /nfs/dbraw/zinc/43/44/09/1053434409.db2.gz DSGUKKQRAUHAFA-RSZPVBOMSA-N 1 0 324.424 4.004 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccccc3OC)CCC2)cc1 ZINC001321882972 1053440623 /nfs/dbraw/zinc/44/06/23/1053440623.db2.gz MVDBIGOKXBKBEC-UHFFFAOYSA-N 1 0 323.436 4.429 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC001474763405 1053440683 /nfs/dbraw/zinc/44/06/83/1053440683.db2.gz XPDQCJXZIPQEAN-NEPJUHHUSA-N 1 0 320.387 4.410 20 30 DIEDRO C=CCCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000619197358 1053453308 /nfs/dbraw/zinc/45/33/08/1053453308.db2.gz IKKWWKSNXVDCJL-UHFFFAOYSA-N 1 0 306.409 4.193 20 30 DIEDRO Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000182537938 1053470240 /nfs/dbraw/zinc/47/02/40/1053470240.db2.gz FEFJURQBDDEXHP-UHFFFAOYSA-N 1 0 319.452 4.252 20 30 DIEDRO C=C[C@H](C)Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@H+](C)CC3 ZINC001230126648 1053480398 /nfs/dbraw/zinc/48/03/98/1053480398.db2.gz VNHNITANQCKBGV-SUMWQHHRSA-N 1 0 321.420 4.098 20 30 DIEDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000619428454 1053493045 /nfs/dbraw/zinc/49/30/45/1053493045.db2.gz OXSMHDLBDRYXGL-WOJBJXKFSA-N 1 0 320.436 4.272 20 30 DIEDRO N#CCC1(C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000619530079 1053501541 /nfs/dbraw/zinc/50/15/41/1053501541.db2.gz XAELATLBZNRBEV-UHFFFAOYSA-N 1 0 324.399 4.188 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCSCc1ccccc1 ZINC000619534944 1053507086 /nfs/dbraw/zinc/50/70/86/1053507086.db2.gz GFHZOPIYKCWXRT-IBGZPJMESA-N 1 0 308.450 4.069 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(NC(=O)C2CC2)cc1)c1ccco1 ZINC001322447704 1053507546 /nfs/dbraw/zinc/50/75/46/1053507546.db2.gz ZSLFPQPIRZLKKI-GOSISDBHSA-N 1 0 324.424 4.425 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1CC#N ZINC001230276668 1053510910 /nfs/dbraw/zinc/51/09/10/1053510910.db2.gz ZRANCOKVMURGQL-XLIONFOSSA-N 1 0 320.436 4.042 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@H](C)CC2)cc(OC)c1OC ZINC001200267298 1053512368 /nfs/dbraw/zinc/51/23/68/1053512368.db2.gz DWKXLKKYCHCXLP-MAUKXSAKSA-N 1 0 317.473 4.491 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCC(C)(C)C2)cc(OC)c1OC ZINC001200268759 1053512652 /nfs/dbraw/zinc/51/26/52/1053512652.db2.gz PIKCXBGHIFBWNI-QGZVFWFLSA-N 1 0 317.473 4.491 20 30 DIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C)cc1 ZINC000619620025 1053521557 /nfs/dbraw/zinc/52/15/57/1053521557.db2.gz PINBVVWVPBQTBM-UHFFFAOYSA-N 1 0 314.473 4.308 20 30 DIEDRO CC[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccccc1OC ZINC000325727722 1053524990 /nfs/dbraw/zinc/52/49/90/1053524990.db2.gz OJBCBANVLFVSDO-BIXGBWIQSA-N 1 0 320.436 4.360 20 30 DIEDRO N#CCOc1ccc(C[NH2+]Cc2cccc(CC3CCC3)c2)cc1 ZINC001200294133 1053532379 /nfs/dbraw/zinc/53/23/79/1053532379.db2.gz WYLIEWVUTAYYSF-UHFFFAOYSA-N 1 0 320.436 4.221 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1Cl ZINC000619669474 1053532990 /nfs/dbraw/zinc/53/29/90/1053532990.db2.gz VZABLWDUESUWMO-HSBZDZAISA-N 1 0 306.837 4.329 20 30 DIEDRO C[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000619720351 1053540805 /nfs/dbraw/zinc/54/08/05/1053540805.db2.gz DGTZMHWBLSZTST-BBRMVZONSA-N 1 0 310.363 4.435 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cccc2[nH]ccc21 ZINC000619724630 1053541293 /nfs/dbraw/zinc/54/12/93/1053541293.db2.gz OTNNKSGIUWTRPK-FQEVSTJZSA-N 1 0 315.420 4.249 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3C)cc1OC ZINC001200314566 1053547031 /nfs/dbraw/zinc/54/70/31/1053547031.db2.gz PCYKUAHUWYVFQM-LJQANCHMSA-N 1 0 323.436 4.346 20 30 DIEDRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619755108 1053547444 /nfs/dbraw/zinc/54/74/44/1053547444.db2.gz TXFKBILVJYUQCR-SECBINFHSA-N 1 0 305.834 4.136 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755580 1053547583 /nfs/dbraw/zinc/54/75/83/1053547583.db2.gz ZYTVGXJAWKUQAA-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3ccccc3F)C2)cc1Cl ZINC000619755700 1053547873 /nfs/dbraw/zinc/54/78/73/1053547873.db2.gz PRTBXLGNMDHEFU-UHFFFAOYSA-N 1 0 314.791 4.387 20 30 DIEDRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754939 1053548550 /nfs/dbraw/zinc/54/85/50/1053548550.db2.gz OYSCOMUXNMGIDN-IRWQIABSSA-N 1 0 310.828 4.493 20 30 DIEDRO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755419 1053548732 /nfs/dbraw/zinc/54/87/32/1053548732.db2.gz ITBJQCOLBABMQQ-CYBMUJFWSA-N 1 0 314.816 4.380 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1F ZINC000619755044 1053548909 /nfs/dbraw/zinc/54/89/09/1053548909.db2.gz RKVTUYLCJSHLLW-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc1Cl ZINC000619755509 1053549021 /nfs/dbraw/zinc/54/90/21/1053549021.db2.gz ZGRQZVDNKNPGOG-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO C=CC[C@@H](Oc1ccc2[nH]c(N)[nH+]c2c1)c1ccc(Cl)cc1 ZINC001230517948 1053550971 /nfs/dbraw/zinc/55/09/71/1053550971.db2.gz INLBYDONZSQWMK-MRXNPFEDSA-N 1 0 313.788 4.495 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)ccc1Cl ZINC000619748333 1053554064 /nfs/dbraw/zinc/55/40/64/1053554064.db2.gz AQMWAGZCSALELZ-UHFFFAOYSA-N 1 0 305.208 4.463 20 30 DIEDRO COc1ccccc1/C=C/C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748409 1053554084 /nfs/dbraw/zinc/55/40/84/1053554084.db2.gz KKJZOKNWXGHAEV-GQCTYLIASA-N 1 0 312.800 4.023 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)[C@@H]1C[C@H]1c1ccccc1 ZINC000619822960 1053565242 /nfs/dbraw/zinc/56/52/42/1053565242.db2.gz JOQPYMOQTFUUFH-AKQDLLBKSA-N 1 0 302.421 4.327 20 30 DIEDRO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000153033221 1053569985 /nfs/dbraw/zinc/56/99/85/1053569985.db2.gz KUWPBSWFRARPEB-CQSZACIVSA-N 1 0 322.880 4.040 20 30 DIEDRO COc1ccccc1C1([NH2+][C@H](C)c2ccc(C#N)cc2)CCC1 ZINC001323505209 1053585798 /nfs/dbraw/zinc/58/57/98/1053585798.db2.gz LBWDRGIYEGGKET-OAHLLOKOSA-N 1 0 306.409 4.297 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000183207221 1053603899 /nfs/dbraw/zinc/60/38/99/1053603899.db2.gz KTHHIQPXJNMPGD-VBKZILBWSA-N 1 0 324.399 4.456 20 30 DIEDRO C=CCc1cccc(O[C@H]2CCCN(c3ccc(C)cn3)C2)c1 ZINC001231010405 1053648761 /nfs/dbraw/zinc/64/87/61/1053648761.db2.gz QSMQHUZDHRACFD-IBGZPJMESA-N 1 0 308.425 4.166 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC#N)c2)cc1 ZINC001324840787 1053681843 /nfs/dbraw/zinc/68/18/43/1053681843.db2.gz HPFDJILQFVPNPH-MRXNPFEDSA-N 1 0 324.424 4.229 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)C2CCCCC2)cc1 ZINC001324823157 1053682579 /nfs/dbraw/zinc/68/25/79/1053682579.db2.gz FGCRITUJQABDSO-HNNXBMFYSA-N 1 0 300.446 4.426 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@H]2CCc3c2cccc3Cl)c1 ZINC001324843248 1053685738 /nfs/dbraw/zinc/68/57/38/1053685738.db2.gz VPYJDMYGKSZDSR-SFHVURJKSA-N 1 0 312.800 4.019 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(/N=C/c3ccccc3)cc2)CC1 ZINC001231199763 1053698525 /nfs/dbraw/zinc/69/85/25/1053698525.db2.gz FOTAJKTYOINRSL-SRMPHAGFSA-N 1 0 308.425 4.300 20 30 DIEDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231200998 1053700644 /nfs/dbraw/zinc/70/06/44/1053700644.db2.gz WBGLUBYFWPZHOM-LQOIVRHRSA-N 1 0 308.425 4.299 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000154250468 1053733465 /nfs/dbraw/zinc/73/34/65/1053733465.db2.gz FCYZPFSPAKTCDW-UHFFFAOYSA-N 1 0 308.828 4.430 20 30 DIEDRO C=CCC1(c2nnc(-c3ccc(C[NH+](CC)CC)o3)o2)CCC1 ZINC001325828460 1053735873 /nfs/dbraw/zinc/73/58/73/1053735873.db2.gz QFFHZMOWUZHDOB-UHFFFAOYSA-N 1 0 315.417 4.169 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000267202928 1053738282 /nfs/dbraw/zinc/73/82/82/1053738282.db2.gz GDQPVKSYONOBDN-LSDHHAIUSA-N 1 0 310.397 4.009 20 30 DIEDRO CCCCCCCNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001231389217 1053741722 /nfs/dbraw/zinc/74/17/22/1053741722.db2.gz XJMYOIOMKZBKKO-UHFFFAOYSA-N 1 0 323.525 4.053 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1Cl ZINC000183715332 1053742606 /nfs/dbraw/zinc/74/26/06/1053742606.db2.gz GQGZUNZOMPIMKJ-AWEZNQCLSA-N 1 0 316.832 4.493 20 30 DIEDRO CN(C)c1ccc2cc(C[N@@H+]3CCC[C@@H](C#N)CC3)ccc2c1 ZINC001231441750 1053755463 /nfs/dbraw/zinc/75/54/63/1053755463.db2.gz DQZIWWHQNGDOHT-MRXNPFEDSA-N 1 0 307.441 4.031 20 30 DIEDRO N#CCCN(Cc1ccc(O)c(C(F)(F)F)c1)C1CCCC1 ZINC001231523856 1053777799 /nfs/dbraw/zinc/77/77/99/1053777799.db2.gz ACXGEEFSUHWWOF-UHFFFAOYSA-N 1 0 312.335 4.069 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(OC(=O)C(C)C)c(OC)c1 ZINC001231530878 1053781035 /nfs/dbraw/zinc/78/10/35/1053781035.db2.gz ZZSIMQCWTXXZNK-UHFFFAOYSA-N 1 0 319.445 4.045 20 30 DIEDRO FC1(F)C[C@]12CC[N@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001231578933 1053789862 /nfs/dbraw/zinc/78/98/62/1053789862.db2.gz UVWKZQLPPBZKMM-FQEVSTJZSA-N 1 0 323.386 4.318 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC001231618241 1053802347 /nfs/dbraw/zinc/80/23/47/1053802347.db2.gz CAICZJYVQMZDFJ-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001231623872 1053804640 /nfs/dbraw/zinc/80/46/40/1053804640.db2.gz ZEWNCMCEEZGHBQ-FQEVSTJZSA-N 1 0 308.425 4.374 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC001231618586 1053804785 /nfs/dbraw/zinc/80/47/85/1053804785.db2.gz OPVOJDZGUMFWDV-LJQANCHMSA-N 1 0 306.409 4.212 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H](c3cccc(OC)c3)C2)c1 ZINC001231624422 1053805189 /nfs/dbraw/zinc/80/51/89/1053805189.db2.gz MIHLDYPQTFKGFV-LJQANCHMSA-N 1 0 323.436 4.250 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001231625029 1053805538 /nfs/dbraw/zinc/80/55/38/1053805538.db2.gz KDIFLLRCQIOFAX-QGZVFWFLSA-N 1 0 303.421 4.356 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC3(CCOC3(C)C)CC2)c1 ZINC001231624618 1053806232 /nfs/dbraw/zinc/80/62/32/1053806232.db2.gz RXKKYVOAUHZOPQ-UHFFFAOYSA-N 1 0 315.457 4.033 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c1 ZINC001231623912 1053806367 /nfs/dbraw/zinc/80/63/67/1053806367.db2.gz BFBWPOSXSJDYQW-LJQANCHMSA-N 1 0 323.436 4.250 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001231625094 1053807434 /nfs/dbraw/zinc/80/74/34/1053807434.db2.gz LLXVRWVAHXSZEY-UHFFFAOYSA-N 1 0 303.421 4.356 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1 ZINC001200623075 1053825773 /nfs/dbraw/zinc/82/57/73/1053825773.db2.gz UGLQKZCGCGRMSF-LIRRHRJNSA-N 1 0 313.828 4.187 20 30 DIEDRO FCCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000157664100 1053863330 /nfs/dbraw/zinc/86/33/30/1053863330.db2.gz NSBMIRJPXWQBCN-UHFFFAOYSA-N 1 0 303.221 4.173 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC001231819850 1053877242 /nfs/dbraw/zinc/87/72/42/1053877242.db2.gz IGHWQPFYEXQINZ-AZUAARDMSA-N 1 0 311.473 4.191 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]c2c1cccc2OC)Cc1ccccc1 ZINC001231899031 1053907881 /nfs/dbraw/zinc/90/78/81/1053907881.db2.gz JSYPJQDEHGBTOP-UHFFFAOYSA-N 1 0 306.409 4.365 20 30 DIEDRO C=CCN(Cc1nc(Cl)ccc1Br)C(C)(C)C ZINC001232059213 1053951372 /nfs/dbraw/zinc/95/13/72/1053951372.db2.gz BFMNTQXRPGQBBC-UHFFFAOYSA-N 1 0 317.658 4.284 20 30 DIEDRO Cc1cccc([C@H]([NH2+]Cc2cccc(OCC#N)c2)C(C)C)c1 ZINC001328789417 1053953665 /nfs/dbraw/zinc/95/36/65/1053953665.db2.gz QDJLCTADVFCCMD-HXUWFJFHSA-N 1 0 308.425 4.384 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccc[nH]2)cc1OC ZINC001328764653 1053953765 /nfs/dbraw/zinc/95/37/65/1053953765.db2.gz OYJPMXFJDCQUAG-LBPRGKRZSA-N 1 0 320.820 4.092 20 30 DIEDRO C=CCC[N@@H+](Cc1cn(C)nc1C(F)(F)F)Cc1ccccc1 ZINC001232088381 1053957790 /nfs/dbraw/zinc/95/77/90/1053957790.db2.gz QDHWYKJNTNUNPQ-UHFFFAOYSA-N 1 0 323.362 4.017 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2sc(C)nc2C)cc1Cl ZINC001200792917 1053978685 /nfs/dbraw/zinc/97/86/85/1053978685.db2.gz ZWUDSINPXAFQQH-UHFFFAOYSA-N 1 0 322.861 4.268 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1c(F)cccc1Cl)CC2 ZINC001329956992 1054013430 /nfs/dbraw/zinc/01/34/30/1054013430.db2.gz PUZVZMMHDOKWRH-SFHVURJKSA-N 1 0 314.791 4.170 20 30 DIEDRO C=CC[N@@H+](Cc1cnc(Br)cc1C)C1CCCCC1 ZINC001232318664 1054020452 /nfs/dbraw/zinc/02/04/52/1054020452.db2.gz OEAIXBKXBVPVDY-UHFFFAOYSA-N 1 0 323.278 4.473 20 30 DIEDRO C=CCC[N@@H+](Cc1cn2cc(F)ccc2n1)Cc1ccccc1 ZINC001232413915 1054042055 /nfs/dbraw/zinc/04/20/55/1054042055.db2.gz XWIDYEBWXJLAMT-UHFFFAOYSA-N 1 0 309.388 4.052 20 30 DIEDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC001331307328 1054070906 /nfs/dbraw/zinc/07/09/06/1054070906.db2.gz WPCREEFGRDJFGS-CKEIUWERSA-N 1 0 306.409 4.471 20 30 DIEDRO CN(Cc1ccc(Cl)cc1C#N)Cc1cccc2cccnc21 ZINC001232609173 1054078673 /nfs/dbraw/zinc/07/86/73/1054078673.db2.gz ORCSWWBFQCBILJ-UHFFFAOYSA-N 1 0 321.811 4.392 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cnn(C(C)C)c21)c1cccc(C#N)c1 ZINC001331984954 1054104651 /nfs/dbraw/zinc/10/46/51/1054104651.db2.gz TYAGBMFGSCKHLO-RTBURBONSA-N 1 0 322.456 4.454 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC(Nc3ccccc3)CC2)CCC1 ZINC001332674167 1054125168 /nfs/dbraw/zinc/12/51/68/1054125168.db2.gz BJHHUKJSHJRXJQ-UHFFFAOYSA-N 1 0 311.473 4.427 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC001332701190 1054125287 /nfs/dbraw/zinc/12/52/87/1054125287.db2.gz RGPQKXJYWCCCQP-CTNGQTDRSA-N 1 0 320.436 4.043 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC001332701192 1054125719 /nfs/dbraw/zinc/12/57/19/1054125719.db2.gz RGPQKXJYWCCCQP-PZJWPPBQSA-N 1 0 320.436 4.043 20 30 DIEDRO C[C@H]1OC2(CC[NH+](Cc3ccc(C#N)s3)CC2)c2ccccc21 ZINC001232845229 1054130156 /nfs/dbraw/zinc/13/01/56/1054130156.db2.gz PQUUPOCWVHLASR-CQSZACIVSA-N 1 0 324.449 4.202 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccncc1 ZINC000848537197 1054133414 /nfs/dbraw/zinc/13/34/14/1054133414.db2.gz BJIUMEJJCSXYBX-LJQANCHMSA-N 1 0 305.425 4.290 20 30 DIEDRO C[N@H+](Cc1ccc(Br)c(C#N)c1)C1CCCCC1 ZINC001232892729 1054141085 /nfs/dbraw/zinc/14/10/85/1054141085.db2.gz VGUNUEOETQNVHA-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO CC[N@H+](Cc1ccc(Br)c(C#N)c1)C1CCCCC1 ZINC001232892327 1054141738 /nfs/dbraw/zinc/14/17/38/1054141738.db2.gz HWRVFXGJCDXZAO-UHFFFAOYSA-N 1 0 321.262 4.475 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1Br ZINC001232899716 1054143711 /nfs/dbraw/zinc/14/37/11/1054143711.db2.gz UOAKZWGJBMHJQB-BBRMVZONSA-N 1 0 319.246 4.085 20 30 DIEDRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1cccc(C#N)n1 ZINC001232926317 1054150152 /nfs/dbraw/zinc/15/01/52/1054150152.db2.gz JJCFGNCJDLFKKE-OAHLLOKOSA-N 1 0 301.393 4.299 20 30 DIEDRO CC[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccccc1O ZINC000848567236 1054153643 /nfs/dbraw/zinc/15/36/43/1054153643.db2.gz RMDIYPBBXVPCQD-SFHVURJKSA-N 1 0 306.409 4.384 20 30 DIEDRO CC[N@H+](Cc1ccc(C)cc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC001232962129 1054158744 /nfs/dbraw/zinc/15/87/44/1054158744.db2.gz JXWPZYJKGBWFKH-KRWDZBQOSA-N 1 0 322.452 4.328 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(COc3ccccc3)CC2)c(C#N)c1 ZINC001232966533 1054159469 /nfs/dbraw/zinc/15/94/69/1054159469.db2.gz PMQFZJJLVLCORQ-UHFFFAOYSA-N 1 0 320.436 4.158 20 30 DIEDRO C=CCCCCN(C)Cc1cc(Cl)cnc1Br ZINC001232962485 1054160038 /nfs/dbraw/zinc/16/00/38/1054160038.db2.gz GJAAZJPQXHCCOS-UHFFFAOYSA-N 1 0 317.658 4.286 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001233081377 1054183083 /nfs/dbraw/zinc/18/30/83/1054183083.db2.gz WOPQHWVXZUKBTR-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC001233081183 1054183203 /nfs/dbraw/zinc/18/32/03/1054183203.db2.gz SAZCHIPMWBRVQN-HXUWFJFHSA-N 1 0 320.436 4.219 20 30 DIEDRO Cc1ccccc1OC1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233080014 1054183292 /nfs/dbraw/zinc/18/32/92/1054183292.db2.gz BEVROFDFRMJGCI-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001233082776 1054183604 /nfs/dbraw/zinc/18/36/04/1054183604.db2.gz ZGPNPPGJYHEHIU-OAQYLSRUSA-N 1 0 320.436 4.048 20 30 DIEDRO CCCCCCCCC(=O)N1CCN(C)Cc2ccccc21 ZINC001438526110 1054185412 /nfs/dbraw/zinc/18/54/12/1054185412.db2.gz YYRNJFLDHHDJFF-UHFFFAOYSA-N 1 0 302.462 4.216 20 30 DIEDRO C=CCC[N@@H+](Cc1[nH]nc2cc(F)ccc21)Cc1ccccc1 ZINC001233124915 1054187649 /nfs/dbraw/zinc/18/76/49/1054187649.db2.gz SCAMGSOECFDJPA-UHFFFAOYSA-N 1 0 309.388 4.280 20 30 DIEDRO C=CC[N@@H+](Cc1cc(Br)cc(C)c1O)C(C)(C)C ZINC001233111769 1054188673 /nfs/dbraw/zinc/18/86/73/1054188673.db2.gz WZTPOTMEWVQHHT-UHFFFAOYSA-N 1 0 312.251 4.250 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc1O ZINC001233233320 1054209929 /nfs/dbraw/zinc/20/99/29/1054209929.db2.gz FIJMTZCAXMKSMB-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO CCCC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 ZINC000184882067 1054228075 /nfs/dbraw/zinc/22/80/75/1054228075.db2.gz DDXJPJMPZDEKAB-KRWDZBQOSA-N 1 0 324.428 4.057 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc(Cl)o3)CC2)c1 ZINC001233315968 1054230093 /nfs/dbraw/zinc/23/00/93/1054230093.db2.gz GNVXWPGWKQKODM-UHFFFAOYSA-N 1 0 300.789 4.184 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001233339764 1054238054 /nfs/dbraw/zinc/23/80/54/1054238054.db2.gz ZFRBVQIJUVRFRR-UHFFFAOYSA-N 1 0 304.434 4.432 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001233339496 1054238605 /nfs/dbraw/zinc/23/86/05/1054238605.db2.gz LPSJCXRWPHXRBT-UHFFFAOYSA-N 1 0 302.418 4.208 20 30 DIEDRO C[NH+](C)[C@H]1CC[C@H](Oc2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC001233513147 1054286477 /nfs/dbraw/zinc/28/64/77/1054286477.db2.gz UBUSOOYGXSCQIU-MXVIHJGJSA-N 1 0 320.436 4.477 20 30 DIEDRO CC(C)c1ccccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000848909173 1054293848 /nfs/dbraw/zinc/29/38/48/1054293848.db2.gz MNMYCXCSLKZVDQ-UHFFFAOYSA-N 1 0 319.452 4.262 20 30 DIEDRO CCCCCCCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000848991783 1054325171 /nfs/dbraw/zinc/32/51/71/1054325171.db2.gz CPONPOXKGFMMHC-UHFFFAOYSA-N 1 0 319.449 4.145 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001339892446 1054349999 /nfs/dbraw/zinc/34/99/99/1054349999.db2.gz GXDGNFDJSZHWOV-NUEKZKHPSA-N 1 0 313.363 4.132 20 30 DIEDRO c1csc(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000849057116 1054365438 /nfs/dbraw/zinc/36/54/38/1054365438.db2.gz YCSYSCMEMKILPJ-UHFFFAOYSA-N 1 0 313.470 4.245 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(-c3cccc(C#N)c3)cc1)C2 ZINC001233867460 1054377454 /nfs/dbraw/zinc/37/74/54/1054377454.db2.gz UOYGVVUUFGITRY-CEQLMSFQSA-N 1 0 318.420 4.229 20 30 DIEDRO C#CC[C@@H](C)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC001233941651 1054395441 /nfs/dbraw/zinc/39/54/41/1054395441.db2.gz MOOBJSDVMNTRNE-JCXROGDPSA-N 1 0 323.480 4.165 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001444207110 1054469906 /nfs/dbraw/zinc/46/99/06/1054469906.db2.gz HOHUYAKKIMNBOB-RTBURBONSA-N 1 0 322.537 4.460 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)[NH2+]CCCSCC#N)cc1 ZINC000174156895 1054505612 /nfs/dbraw/zinc/50/56/12/1054505612.db2.gz OAGOMJCHBJOAEW-UHFFFAOYSA-N 1 0 320.502 4.193 20 30 DIEDRO N#Cc1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC001168528476 1054560009 /nfs/dbraw/zinc/56/00/09/1054560009.db2.gz DTGVGBNVPRRLTN-LJQANCHMSA-N 1 0 310.828 4.323 20 30 DIEDRO C=CCN(Cc1ccn(-c2ccccc2)n1)Cc1ccccc1 ZINC000623433926 1054594578 /nfs/dbraw/zinc/59/45/78/1054594578.db2.gz RJKUFZYRAJUSRI-UHFFFAOYSA-N 1 0 303.409 4.061 20 30 DIEDRO C=C(C)[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000623495485 1054610293 /nfs/dbraw/zinc/61/02/93/1054610293.db2.gz DRVWIVVHZOSOEP-RHSMWYFYSA-N 1 0 308.416 4.044 20 30 DIEDRO CCOc1ccccc1C[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000073012379 1054614151 /nfs/dbraw/zinc/61/41/51/1054614151.db2.gz OXFPTOHIYRVCHJ-GOSISDBHSA-N 1 0 324.424 4.056 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(F)cc2C)c1 ZINC000073012608 1054614201 /nfs/dbraw/zinc/61/42/01/1054614201.db2.gz ANWCHTWBDMSRNC-SFHVURJKSA-N 1 0 312.388 4.105 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000073012200 1054614878 /nfs/dbraw/zinc/61/48/78/1054614878.db2.gz JYEBMRWQOBVVBR-QGZVFWFLSA-N 1 0 319.408 4.139 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000073012336 1054615257 /nfs/dbraw/zinc/61/52/57/1054615257.db2.gz CUPQQXOZVNXDSH-KRWDZBQOSA-N 1 0 312.388 4.105 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N(CC)C1CC[NH+](C)CC1 ZINC001449965083 1054633495 /nfs/dbraw/zinc/63/34/95/1054633495.db2.gz BJVCCTDLULCTOV-QGZVFWFLSA-N 1 0 310.526 4.316 20 30 DIEDRO N#CCC1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234996931 1054639958 /nfs/dbraw/zinc/63/99/58/1054639958.db2.gz QDXBTLYMYCLIRE-UHFFFAOYSA-N 1 0 306.409 4.185 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001450234397 1054642174 /nfs/dbraw/zinc/64/21/74/1054642174.db2.gz FNVJEAFGQYQOEJ-QUCCMNQESA-N 1 0 322.537 4.317 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235042935 1054646959 /nfs/dbraw/zinc/64/69/59/1054646959.db2.gz MVVLSHRSHNMENW-MKZZRHPPSA-N 1 0 309.388 4.087 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001235067702 1054651790 /nfs/dbraw/zinc/65/17/90/1054651790.db2.gz YNJKUSAIYHFCMT-UHFFFAOYSA-N 1 0 316.214 4.082 20 30 DIEDRO CCCCCCC/C=C/CN1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235087928 1054654901 /nfs/dbraw/zinc/65/49/01/1054654901.db2.gz IXBUFZREGYUWFV-KBOKABMXSA-N 1 0 314.464 4.224 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)CC1(C)C ZINC001473365728 1054656907 /nfs/dbraw/zinc/65/69/07/1054656907.db2.gz SRCFNCBBDNUPQE-LBPRGKRZSA-N 1 0 321.262 4.189 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)C1CC1 ZINC000178681052 1054657540 /nfs/dbraw/zinc/65/75/40/1054657540.db2.gz BEAVNVJDNVJWOA-GOSISDBHSA-N 1 0 324.424 4.366 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)C1CC1 ZINC000178673369 1054657563 /nfs/dbraw/zinc/65/75/63/1054657563.db2.gz XPMNBKXJOAMZSB-SFHVURJKSA-N 1 0 300.446 4.116 20 30 DIEDRO C=CCCCCC[N@@H+]1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC001473366717 1054665329 /nfs/dbraw/zinc/66/53/29/1054665329.db2.gz XLWZPAZESGXRMQ-FQEVSTJZSA-N 1 0 300.490 4.329 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1COC(C)C ZINC000921501628 1054680026 /nfs/dbraw/zinc/68/00/26/1054680026.db2.gz LXVZOGDRQNLTIW-UHFFFAOYSA-N 1 0 322.452 4.390 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000179645838 1054693008 /nfs/dbraw/zinc/69/30/08/1054693008.db2.gz WOARTISSYZFFFU-ZIAGYGMSSA-N 1 0 307.434 4.108 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)CCCC1(C)C ZINC001473433058 1054720343 /nfs/dbraw/zinc/72/03/43/1054720343.db2.gz QUSGVMMBJQIWCI-ZWKOTPCHSA-N 1 0 321.892 4.310 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccsc1C(=O)OC)c1ccccc1 ZINC000180040419 1054729509 /nfs/dbraw/zinc/72/95/09/1054729509.db2.gz WKOCRHILLAJSQS-MRXNPFEDSA-N 1 0 315.438 4.332 20 30 DIEDRO C=CC[N@@H+](Cc1c[nH]c2cnc(Cl)cc12)Cc1ccccc1 ZINC001235519869 1054732312 /nfs/dbraw/zinc/73/23/12/1054732312.db2.gz IGQKIFLTUXEPQS-UHFFFAOYSA-N 1 0 311.816 4.405 20 30 DIEDRO CC[N@H+](Cc1ccccc1CC#N)[C@H](C)Cc1ccc(OC)cc1 ZINC001235511639 1054733674 /nfs/dbraw/zinc/73/36/74/1054733674.db2.gz KEBNOLLPLVBCKU-QGZVFWFLSA-N 1 0 322.452 4.214 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001235522575 1054736142 /nfs/dbraw/zinc/73/61/42/1054736142.db2.gz HLGOPJHAXMFOER-IBGZPJMESA-N 1 0 312.363 4.368 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001235522581 1054736717 /nfs/dbraw/zinc/73/67/17/1054736717.db2.gz HLGOPJHAXMFOER-LJQANCHMSA-N 1 0 312.363 4.368 20 30 DIEDRO N#CCc1ccccc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001235526555 1054738099 /nfs/dbraw/zinc/73/80/99/1054738099.db2.gz ZZMJTJIUMMLWNS-UHFFFAOYSA-N 1 0 322.427 4.346 20 30 DIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2CC#N)cc1 ZINC001235522691 1054738221 /nfs/dbraw/zinc/73/82/21/1054738221.db2.gz IKQDTPYVQRQZGZ-NRFANRHFSA-N 1 0 320.436 4.488 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2CC#N)cc1 ZINC001235522702 1054738588 /nfs/dbraw/zinc/73/85/88/1054738588.db2.gz INPRZBGVXUQLFC-HXUWFJFHSA-N 1 0 306.409 4.098 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1OC(F)F ZINC000921507677 1054740728 /nfs/dbraw/zinc/74/07/28/1054740728.db2.gz JLRCHWMJXTYQCH-UHFFFAOYSA-N 1 0 316.351 4.066 20 30 DIEDRO N#CCSCCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180303603 1054748519 /nfs/dbraw/zinc/74/85/19/1054748519.db2.gz WUOMKOUMMJUQFI-QGZVFWFLSA-N 1 0 306.450 4.293 20 30 DIEDRO C#CC[N@@H+](CC[C@H](O)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001473826949 1054760111 /nfs/dbraw/zinc/76/01/11/1054760111.db2.gz XSAYFZGHAPXVCU-YADHBBJMSA-N 1 0 319.448 4.123 20 30 DIEDRO C=CC[N@@H+](Cc1cnc(Br)c(C)c1)C1CCCCC1 ZINC001235830787 1054817905 /nfs/dbraw/zinc/81/79/05/1054817905.db2.gz PUXBMROTFVXBKD-UHFFFAOYSA-N 1 0 323.278 4.473 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](Cc1ccccc1)OC ZINC001474575938 1054828219 /nfs/dbraw/zinc/82/82/19/1054828219.db2.gz GYVQUHKTCWPGRU-LEWJYISDSA-N 1 0 309.453 4.021 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(F)c(C#N)c2)ccc1OC ZINC001235897799 1054836704 /nfs/dbraw/zinc/83/67/04/1054836704.db2.gz OYVNPHYKDGXCFZ-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2ccc(F)c(C#N)c2)c1F ZINC001235897773 1054837333 /nfs/dbraw/zinc/83/73/33/1054837333.db2.gz NKXPNEDSJTYZCF-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC001474595445 1054837579 /nfs/dbraw/zinc/83/75/79/1054837579.db2.gz LCYONRQCDPSFSX-UHFFFAOYSA-N 1 0 309.384 4.463 20 30 DIEDRO c1ccc(NC(=[NH+]CC2CCSCC2)N2CCCCC2)cc1 ZINC000849099682 1054837922 /nfs/dbraw/zinc/83/79/22/1054837922.db2.gz DDYJUSXDBCMIFG-UHFFFAOYSA-N 1 0 317.502 4.084 20 30 DIEDRO Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2F)nc(C)c1C#N ZINC001236003702 1054891453 /nfs/dbraw/zinc/89/14/53/1054891453.db2.gz BNRSNPUXTDOGOR-UHFFFAOYSA-N 1 0 323.415 4.362 20 30 DIEDRO Cc1cc(C#N)cc(-c2cccc(C[NH+]3CCCCC3)c2F)n1 ZINC001236005141 1054891460 /nfs/dbraw/zinc/89/14/60/1054891460.db2.gz LMTUDZLJKCOGOS-UHFFFAOYSA-N 1 0 309.388 4.054 20 30 DIEDRO N#Cc1cc(C#N)cc(-c2cccc(C[NH+]3CCCCC3)c2F)c1 ZINC001236015198 1054898530 /nfs/dbraw/zinc/89/85/30/1054898530.db2.gz LZBNYEYWAWZKTG-UHFFFAOYSA-N 1 0 319.383 4.222 20 30 DIEDRO N#Cc1cc(-c2cccc(C3CC3)c2)ccc1OC1CC[NH2+]CC1 ZINC001236085023 1054934827 /nfs/dbraw/zinc/93/48/27/1054934827.db2.gz MIIFPRLNOYARQZ-UHFFFAOYSA-N 1 0 318.420 4.233 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](CCCCCO)Cc1cccc(C#N)c1 ZINC001236146875 1054967605 /nfs/dbraw/zinc/96/76/05/1054967605.db2.gz BASDPVHVTLRRAQ-SFHVURJKSA-N 1 0 322.452 4.284 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)cc1 ZINC001236194956 1054993947 /nfs/dbraw/zinc/99/39/47/1054993947.db2.gz YATKPGBKEQVJIH-NRFANRHFSA-N 1 0 315.420 4.419 20 30 DIEDRO Cc1nc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)ccc1CC#N ZINC001236244212 1055029885 /nfs/dbraw/zinc/02/98/85/1055029885.db2.gz IUBQIJHZMNKGGS-UHFFFAOYSA-N 1 0 323.415 4.248 20 30 DIEDRO C=CCC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184791200 1055080592 /nfs/dbraw/zinc/08/05/92/1055080592.db2.gz XRHCAMOLYMCBLP-GFCCVEGCSA-N 1 0 302.443 4.354 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000184971037 1055085291 /nfs/dbraw/zinc/08/52/91/1055085291.db2.gz IMHGMVBYKUDMTF-IAGOWNOFSA-N 1 0 309.438 4.065 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2nc(-c3ccccc3)ccc2C#N)c1 ZINC001236414454 1055103924 /nfs/dbraw/zinc/10/39/24/1055103924.db2.gz QBRKHMZVRFUHPO-UHFFFAOYSA-N 1 0 313.404 4.349 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc3[nH]c(C#N)cc3c2)cc1 ZINC001236436203 1055112251 /nfs/dbraw/zinc/11/22/51/1055112251.db2.gz LLYNQXBAMYOQPQ-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(OCCC#N)cc2)cc1 ZINC001236436834 1055113295 /nfs/dbraw/zinc/11/32/95/1055113295.db2.gz QEHSKUNSZUCDRR-UHFFFAOYSA-N 1 0 308.425 4.392 20 30 DIEDRO C=CCCCCCCCCN(Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC001236439209 1055113342 /nfs/dbraw/zinc/11/33/42/1055113342.db2.gz DBXGBQAHOFMOLG-FQEVSTJZSA-N 1 0 315.505 4.162 20 30 DIEDRO CCCCCCC/C=C/CN(Cc1ccncc1)[C@H]1CC[NH2+]C1 ZINC001236440441 1055115024 /nfs/dbraw/zinc/11/50/24/1055115024.db2.gz JNTWZOLFFYVXCD-IBDYFIJFSA-N 1 0 315.505 4.162 20 30 DIEDRO C=CCCC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001536600540 1055138059 /nfs/dbraw/zinc/13/80/59/1055138059.db2.gz ZYOAEHYRQOVDRV-RTBURBONSA-N 1 0 314.473 4.073 20 30 DIEDRO Cc1c(Br)cccc1C[N@H+](CCC#N)C1CCCC1 ZINC001236606402 1055203244 /nfs/dbraw/zinc/20/32/44/1055203244.db2.gz FVCGXPYZRBKVGB-UHFFFAOYSA-N 1 0 321.262 4.416 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3ccc(C#N)cc3F)c(C)c2)CC1 ZINC001236524447 1055159355 /nfs/dbraw/zinc/15/93/55/1055159355.db2.gz XVOYPNQQUSOFLP-UHFFFAOYSA-N 1 0 321.399 4.177 20 30 DIEDRO N#Cc1ccc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c(F)c1 ZINC001236526606 1055161779 /nfs/dbraw/zinc/16/17/79/1055161779.db2.gz WLSCRDNLZOSKQE-UHFFFAOYSA-N 1 0 304.368 4.012 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(C#N)cc2F)ccc1OC ZINC001236532797 1055165521 /nfs/dbraw/zinc/16/55/21/1055165521.db2.gz HJTWGLIYWMIKIH-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO COc1ccc(C#N)cc1-c1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001236538350 1055168606 /nfs/dbraw/zinc/16/86/06/1055168606.db2.gz HDCOROWFXJCTCZ-HNNXBMFYSA-N 1 0 321.424 4.003 20 30 DIEDRO COc1ccc(C#N)cc1-c1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001236538364 1055168943 /nfs/dbraw/zinc/16/89/43/1055168943.db2.gz HDCOROWFXJCTCZ-OAHLLOKOSA-N 1 0 321.424 4.003 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000764465227 1055187464 /nfs/dbraw/zinc/18/74/64/1055187464.db2.gz WERGWDQULMJYET-ROUUACIJSA-N 1 0 308.510 4.118 20 30 DIEDRO Cc1cc(Cl)nc(Cl)c1CN(C)Cc1cccc(C#N)c1 ZINC001236612577 1055204697 /nfs/dbraw/zinc/20/46/97/1055204697.db2.gz SGRRTIABLHCVQQ-UHFFFAOYSA-N 1 0 320.223 4.201 20 30 DIEDRO COc1cc2ccccc2cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001236675594 1055225881 /nfs/dbraw/zinc/22/58/81/1055225881.db2.gz JRDIIHZQOPYQBV-QIDUDWOJSA-N 1 0 306.409 4.115 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)cc2)cc1 ZINC000764847165 1055270414 /nfs/dbraw/zinc/27/04/14/1055270414.db2.gz DEUOOWMWCJBLIP-QGZVFWFLSA-N 1 0 323.436 4.337 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1cccnc1Cl)C(C)C ZINC000764874560 1055280988 /nfs/dbraw/zinc/28/09/88/1055280988.db2.gz ILZKTUICQWWCIK-RDJZCZTQSA-N 1 0 321.896 4.084 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1cccc(-n2cncn2)c1 ZINC001236883522 1055303601 /nfs/dbraw/zinc/30/36/01/1055303601.db2.gz DCDTWHOOSMNLGR-UHFFFAOYSA-N 1 0 300.450 4.060 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3CCC[C@H]2C)cc1C#N ZINC000764977632 1055304483 /nfs/dbraw/zinc/30/44/83/1055304483.db2.gz PIOUBCIAIZCQMK-VFNWGFHPSA-N 1 0 320.436 4.370 20 30 DIEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000764976622 1055305393 /nfs/dbraw/zinc/30/53/93/1055305393.db2.gz YURRMNRXZANEAB-OAHLLOKOSA-N 1 0 307.869 4.051 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1F ZINC000765013907 1055310736 /nfs/dbraw/zinc/31/07/36/1055310736.db2.gz IVXJLVZPPKDKBM-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1OC(F)F ZINC000765011723 1055314723 /nfs/dbraw/zinc/31/47/23/1055314723.db2.gz DUXDTEGDOPEJDN-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765011786 1055314811 /nfs/dbraw/zinc/31/48/11/1055314811.db2.gz DYIUKCDDFBZCJY-KGLIPLIRSA-N 1 0 321.449 4.450 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OCCC)cc2)cc1 ZINC000765038706 1055315473 /nfs/dbraw/zinc/31/54/73/1055315473.db2.gz OILBXEJCIYFNJX-QGZVFWFLSA-N 1 0 323.436 4.338 20 30 DIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)ccc1SC ZINC000765016658 1055316665 /nfs/dbraw/zinc/31/66/65/1055316665.db2.gz XROMRVUFKLNCFJ-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO Cc1cccc(-c2ccc(C[NH+]3CCC(S)CC3)cn2)c1C ZINC001236989413 1055323068 /nfs/dbraw/zinc/32/30/68/1055323068.db2.gz NZHGBSAMWKEIFH-UHFFFAOYSA-N 1 0 312.482 4.260 20 30 DIEDRO CCOc1ccccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001203534399 1055329126 /nfs/dbraw/zinc/32/91/26/1055329126.db2.gz DCJJUHFSLFMEGO-UHFFFAOYSA-N 1 0 320.436 4.143 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001237001822 1055332272 /nfs/dbraw/zinc/33/22/72/1055332272.db2.gz LOGLKBWIXXUSRO-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO CCCCCCCCC[C@H](C)CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC001587747304 1055358021 /nfs/dbraw/zinc/35/80/21/1055358021.db2.gz KMEFZQKELBIORI-KRWDZBQOSA-N 1 0 310.526 4.364 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000765370806 1055371541 /nfs/dbraw/zinc/37/15/41/1055371541.db2.gz MNFALYDFPMXSGV-IBGZPJMESA-N 1 0 314.473 4.147 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccnc2c(OC)cccc12 ZINC001237112682 1055374662 /nfs/dbraw/zinc/37/46/62/1055374662.db2.gz WYOJSVFRFBVADL-UHFFFAOYSA-N 1 0 318.420 4.432 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CSCc3ccccc32)cc1 ZINC000765428765 1055388328 /nfs/dbraw/zinc/38/83/28/1055388328.db2.gz YRPZYNVWJNEDCH-QRWLVFNGSA-N 1 0 323.461 4.337 20 30 DIEDRO COc1ccc2c(N[C@@H](C)c3cccc(C#N)c3)cc[nH+]c2c1 ZINC000765512897 1055419988 /nfs/dbraw/zinc/41/99/88/1055419988.db2.gz JLXUMKISZJSHIQ-ZDUSSCGKSA-N 1 0 303.365 4.288 20 30 DIEDRO C[N@H+](Cc1ccnc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC001237459000 1055456889 /nfs/dbraw/zinc/45/68/89/1055456889.db2.gz GDFVHYXAWGXNSZ-UHFFFAOYSA-N 1 0 313.404 4.175 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c2cc(C#N)ccc21 ZINC001237471793 1055459660 /nfs/dbraw/zinc/45/96/60/1055459660.db2.gz ZQGVQENDGSGREK-APWZRJJASA-N 1 0 307.441 4.205 20 30 DIEDRO C[C@H](c1cccc2ccccc21)[N@H+](C)Cc1ccnc(C#N)c1 ZINC001237469495 1055459754 /nfs/dbraw/zinc/45/97/54/1055459754.db2.gz WCRCSGVIVWQIRL-OAHLLOKOSA-N 1 0 301.393 4.299 20 30 DIEDRO CN(Cc1cccc(Cl)c1)Cc1cc(C#N)c(F)cc1F ZINC001237527551 1055467605 /nfs/dbraw/zinc/46/76/05/1055467605.db2.gz VRLJEYQLFXWNRR-UHFFFAOYSA-N 1 0 306.743 4.122 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c(F)cc1F ZINC001237530386 1055469231 /nfs/dbraw/zinc/46/92/31/1055469231.db2.gz OGNFWWJOAJEQSN-GOSISDBHSA-N 1 0 304.384 4.381 20 30 DIEDRO Cc1ccnc2cccc(C[N@H+](C)Cc3ccc(C#N)cc3)c12 ZINC001237634818 1055490430 /nfs/dbraw/zinc/49/04/30/1055490430.db2.gz XXEUWKYPJXFGOE-UHFFFAOYSA-N 1 0 301.393 4.047 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237644867 1055493611 /nfs/dbraw/zinc/49/36/11/1055493611.db2.gz DVTWXBGJCOQOBZ-OAHLLOKOSA-N 1 0 324.399 4.324 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)C1 ZINC001620867230 1055494015 /nfs/dbraw/zinc/49/40/15/1055494015.db2.gz ZZZKUAKORXECIJ-BHIYHBOVSA-N 1 0 323.484 4.446 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccc(O)cc3)cc2)CC1 ZINC001237664108 1055497343 /nfs/dbraw/zinc/49/73/43/1055497343.db2.gz DABJLTDDXYJJPU-UHFFFAOYSA-N 1 0 306.409 4.185 20 30 DIEDRO C#CC[N@@H+](Cc1cc(OC)ccc1C)[C@@H]1CCc2ccccc21 ZINC001237712956 1055512439 /nfs/dbraw/zinc/51/24/39/1055512439.db2.gz HDPNCBQZDAMNKZ-OAQYLSRUSA-N 1 0 305.421 4.126 20 30 DIEDRO Cc1cc(C[N@H+](CCC#N)C2CCCC2)ccc1OC(C)C ZINC001237712526 1055514073 /nfs/dbraw/zinc/51/40/73/1055514073.db2.gz QHFUMDSIWLHTIN-UHFFFAOYSA-N 1 0 300.446 4.441 20 30 DIEDRO Cc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)ccc1OC(C)C ZINC001237723390 1055515110 /nfs/dbraw/zinc/51/51/10/1055515110.db2.gz VTTLFVGFOQVOGC-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(Cl)cc(C#N)c2)cc1 ZINC001237751324 1055523362 /nfs/dbraw/zinc/52/33/62/1055523362.db2.gz IOUVWQHIWMAYTF-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001237751590 1055523422 /nfs/dbraw/zinc/52/34/22/1055523422.db2.gz MLEOELJUYNVUQX-INIZCTEOSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CCSCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001620897147 1055523630 /nfs/dbraw/zinc/52/36/30/1055523630.db2.gz STNGIEWNFXLSDX-UHFFFAOYSA-N 1 0 309.784 4.368 20 30 DIEDRO C=CCCN(Cc1ccccc1)Cc1ccc(OC)nc1Cl ZINC001237802999 1055531727 /nfs/dbraw/zinc/53/17/27/1055531727.db2.gz LPALSZYESVAJFT-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC001620913298 1055538277 /nfs/dbraw/zinc/53/82/77/1055538277.db2.gz AJTCGRMEWRRHGB-UHFFFAOYSA-N 1 0 323.827 4.302 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC001620916912 1055539587 /nfs/dbraw/zinc/53/95/87/1055539587.db2.gz JTMLFKXXPOAUJL-XLIONFOSSA-N 1 0 311.425 4.326 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC2(C)C)cc1OC ZINC001620932168 1055548065 /nfs/dbraw/zinc/54/80/65/1055548065.db2.gz AIKFKLFEAXXBBX-OAHLLOKOSA-N 1 0 309.837 4.192 20 30 DIEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC001620931914 1055548159 /nfs/dbraw/zinc/54/81/59/1055548159.db2.gz PRPSNNPUXHJRJG-QGZVFWFLSA-N 1 0 307.437 4.348 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1oc2ccccc2c1Br ZINC001620938562 1055553308 /nfs/dbraw/zinc/55/33/08/1055553308.db2.gz FXLXZFZJEFGORJ-UHFFFAOYSA-N 1 0 308.219 4.497 20 30 DIEDRO C=C(C)CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC001620945355 1055560833 /nfs/dbraw/zinc/56/08/33/1055560833.db2.gz AYJLALDSWLQBEL-UHFFFAOYSA-N 1 0 321.424 4.497 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001620950040 1055564888 /nfs/dbraw/zinc/56/48/88/1055564888.db2.gz NDUCXYZRTFGYAR-PZJWPPBQSA-N 1 0 319.448 4.372 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000765734639 1055573635 /nfs/dbraw/zinc/57/36/35/1055573635.db2.gz BFSPYPLHFUZQNW-IRXDYDNUSA-N 1 0 323.436 4.076 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC001620955249 1055576717 /nfs/dbraw/zinc/57/67/17/1055576717.db2.gz XYTKBWUWTWTMFT-BBWFWOEESA-N 1 0 324.509 4.404 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(Cl)c1 ZINC001238083312 1055603597 /nfs/dbraw/zinc/60/35/97/1055603597.db2.gz RKGJEPKFJIFNBP-UHFFFAOYSA-N 1 0 310.775 4.223 20 30 DIEDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(Cl)c(C#N)c1 ZINC001238190531 1055617407 /nfs/dbraw/zinc/61/74/07/1055617407.db2.gz DJJDNFOTCUREOB-UHFFFAOYSA-N 1 0 313.832 4.061 20 30 DIEDRO C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(Cl)c(C#N)c1 ZINC001238194942 1055618743 /nfs/dbraw/zinc/61/87/43/1055618743.db2.gz XRYPLHLPGHTMMU-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(O)c(OCc2ccccc2)c1 ZINC001238253223 1055630280 /nfs/dbraw/zinc/63/02/80/1055630280.db2.gz ZHHYBOSBPYLSAG-UHFFFAOYSA-N 1 0 311.425 4.369 20 30 DIEDRO CC(C)Oc1c(F)cccc1CN(C)Cc1cccc(C#N)c1 ZINC001238323301 1055638785 /nfs/dbraw/zinc/63/87/85/1055638785.db2.gz OSOHSJQTRMKGJZ-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)ccc1C#N ZINC001238408028 1055652683 /nfs/dbraw/zinc/65/26/83/1055652683.db2.gz WWYKUTALWHERLA-GOSISDBHSA-N 1 0 320.436 4.022 20 30 DIEDRO COc1cc(C[N@@H+](Cc2ccccc2)CC(C)C)ccc1C#N ZINC001238410433 1055653723 /nfs/dbraw/zinc/65/37/23/1055653723.db2.gz QEOFSGORLAXUSY-UHFFFAOYSA-N 1 0 308.425 4.225 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)ccc1C#N ZINC001238412252 1055654021 /nfs/dbraw/zinc/65/40/21/1055654021.db2.gz BOJSJFCOFKYTEX-LJQANCHMSA-N 1 0 320.436 4.337 20 30 DIEDRO CC(C)Oc1cccc(CN(C)Cc2cccc(C#N)c2)c1F ZINC001238429367 1055657596 /nfs/dbraw/zinc/65/75/96/1055657596.db2.gz GXNXPITXDXDLRE-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238555303 1055685566 /nfs/dbraw/zinc/68/55/66/1055685566.db2.gz MJRRHDSMOLNRKW-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001238624639 1055700449 /nfs/dbraw/zinc/70/04/49/1055700449.db2.gz JYQKOHHXRIOJRE-KRWDZBQOSA-N 1 0 305.425 4.183 20 30 DIEDRO Cc1cnc(-c2ccccc2)c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001238623810 1055702477 /nfs/dbraw/zinc/70/24/77/1055702477.db2.gz FGUQDBSIVIYVQM-UHFFFAOYSA-N 1 0 305.425 4.183 20 30 DIEDRO Cc1cnc(-c2ccccc2)c(C[NH+]2CCC(CC#N)CC2)c1 ZINC001238627053 1055703200 /nfs/dbraw/zinc/70/32/00/1055703200.db2.gz WNQJUNRWFFLVBN-UHFFFAOYSA-N 1 0 305.425 4.183 20 30 DIEDRO Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C#N)CC2)c1 ZINC001238626478 1055704710 /nfs/dbraw/zinc/70/47/10/1055704710.db2.gz UELDRYGJBMXYFF-KRWDZBQOSA-N 1 0 305.425 4.183 20 30 DIEDRO N#CC1CC[NH+](Cc2cccc(-c3ccc(Cl)cn3)c2)CC1 ZINC001238634809 1055706000 /nfs/dbraw/zinc/70/60/00/1055706000.db2.gz MVZOPVKKTDZNPJ-UHFFFAOYSA-N 1 0 311.816 4.138 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(-c3ccc(Cl)cn3)c2)CC1 ZINC001238637537 1055706858 /nfs/dbraw/zinc/70/68/58/1055706858.db2.gz QDRDUIOKURTTIA-UHFFFAOYSA-N 1 0 310.828 4.247 20 30 DIEDRO Cc1cc(OC(C)C)cc(C)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238664141 1055712931 /nfs/dbraw/zinc/71/29/31/1055712931.db2.gz GJGJWYIUZUKDPJ-NNZMDNLPSA-N 1 0 312.457 4.357 20 30 DIEDRO C=CCCCC[N@H+]1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001278269890 1055730174 /nfs/dbraw/zinc/73/01/74/1055730174.db2.gz VQTVFZRIHUBWOM-UHFFFAOYSA-N 1 0 318.427 4.083 20 30 DIEDRO CC(C)Oc1c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc(F)c1F ZINC001238740693 1055737630 /nfs/dbraw/zinc/73/76/30/1055737630.db2.gz BLXRULLAHCMQSO-XMQYKBBCSA-N 1 0 320.383 4.019 20 30 DIEDRO C=C(C)CCc1ccccc1-c1ccnc(N2CC[NH+](C)CC2)c1 ZINC001238822750 1055754441 /nfs/dbraw/zinc/75/44/41/1055754441.db2.gz ZSANPMGZOZOAPQ-UHFFFAOYSA-N 1 0 321.468 4.009 20 30 DIEDRO C[NH+](C)/C=C/c1ccncc1-c1ccc(C(F)(F)F)cc1C#N ZINC001238844390 1055765669 /nfs/dbraw/zinc/76/56/69/1055765669.db2.gz BLPWQZXAJVBVID-SOFGYWHQSA-N 1 0 317.314 4.171 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1cccc(C2([NH3+])CC2)c1 ZINC001238844418 1055766363 /nfs/dbraw/zinc/76/63/63/1055766363.db2.gz GVCZKKCITITIGZ-UHFFFAOYSA-N 1 0 302.299 4.192 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001597032260 1055778499 /nfs/dbraw/zinc/77/84/99/1055778499.db2.gz PIKYPXNHSHQZND-FJIDUMEYSA-N 1 0 310.526 4.361 20 30 DIEDRO CCCCCCCCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001597189245 1055799144 /nfs/dbraw/zinc/79/91/44/1055799144.db2.gz CIADERSVIMMMPU-HKUYNNGSSA-N 1 0 310.526 4.364 20 30 DIEDRO COc1cc(C[NH2+][C@](C)(Cc2ccccc2)C2CC2)ccc1C#N ZINC001620973844 1055804538 /nfs/dbraw/zinc/80/45/38/1055804538.db2.gz SNLQUZPNRSZYRB-OAQYLSRUSA-N 1 0 320.436 4.068 20 30 DIEDRO COc1cc(C[NH2+][C@@](C)(Cc2ccccc2)C2CC2)ccc1C#N ZINC001620973843 1055804641 /nfs/dbraw/zinc/80/46/41/1055804641.db2.gz SNLQUZPNRSZYRB-NRFANRHFSA-N 1 0 320.436 4.068 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001239187579 1055842284 /nfs/dbraw/zinc/84/22/84/1055842284.db2.gz GFCVJHCKCVRYNU-AWEZNQCLSA-N 1 0 303.450 4.160 20 30 DIEDRO CCCCCCCCNC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001239188456 1055844788 /nfs/dbraw/zinc/84/47/88/1055844788.db2.gz FSNBXSHLWIQOHV-UHFFFAOYSA-N 1 0 319.493 4.405 20 30 DIEDRO CCCCCCCCCCCCNC(=O)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001239278909 1055858613 /nfs/dbraw/zinc/85/86/13/1055858613.db2.gz JHWLZSWSGCHPIR-PKOBYXMFSA-N 1 0 323.525 4.040 20 30 DIEDRO CCCCCCCCCCOC(=O)Nc1ccnc(C[NH3+])c1 ZINC001239312292 1055864303 /nfs/dbraw/zinc/86/43/03/1055864303.db2.gz HPXPSNCFJXBELU-UHFFFAOYSA-N 1 0 307.438 4.230 20 30 DIEDRO CCCCCCCOC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001239312804 1055864536 /nfs/dbraw/zinc/86/45/36/1055864536.db2.gz ZFIGKQNBYLJIGM-UHFFFAOYSA-N 1 0 306.450 4.442 20 30 DIEDRO CCCCCCCCCOC(=O)Nc1ccccc1CC[NH3+] ZINC001239314057 1055866601 /nfs/dbraw/zinc/86/66/01/1055866601.db2.gz YXMKQRRDXPZTNG-UHFFFAOYSA-N 1 0 306.450 4.487 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC001569790891 1055872850 /nfs/dbraw/zinc/87/28/50/1055872850.db2.gz SHMUEQDDTNLMFB-MSOLQXFVSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCCNC(=S)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001239343129 1055875763 /nfs/dbraw/zinc/87/57/63/1055875763.db2.gz HDTKEVMPMAFBKC-INIZCTEOSA-N 1 0 319.518 4.020 20 30 DIEDRO CCCCCCCOC(=O)N(CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239338008 1055875976 /nfs/dbraw/zinc/87/59/76/1055875976.db2.gz NNOFCMXQPCYXTH-QAQDUYKDSA-N 1 0 310.482 4.075 20 30 DIEDRO CCCCCCCCCNC(=S)Nc1ccc2c(c1)C[NH2+]C2 ZINC001239343284 1055877798 /nfs/dbraw/zinc/87/77/98/1055877798.db2.gz NZQLEQAJRBINSA-UHFFFAOYSA-N 1 0 319.518 4.327 20 30 DIEDRO CCCCCCCCCCCCNC(=S)N(C)C[C@H](C)[NH3+] ZINC001239461659 1055893895 /nfs/dbraw/zinc/89/38/95/1055893895.db2.gz TUONXXYHHGFZBG-INIZCTEOSA-N 1 0 315.571 4.061 20 30 DIEDRO C=CC1(CC(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)CCCCC1 ZINC001539747359 1055896507 /nfs/dbraw/zinc/89/65/07/1055896507.db2.gz WHJRKLKMWODFDO-QZTJIDSGSA-N 1 0 320.521 4.234 20 30 DIEDRO COc1cc(C[NH2+]C[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)ccc1C#N ZINC001620758814 1055929733 /nfs/dbraw/zinc/92/97/33/1055929733.db2.gz YHJBRHGJFPKADR-AYOQOUSVSA-N 1 0 314.473 4.365 20 30 DIEDRO C=C[C@](C)(CC)C(=O)N[C@@H](CC[NH+](CC)CC)c1ccccc1 ZINC001539914118 1055930831 /nfs/dbraw/zinc/93/08/31/1055930831.db2.gz GODJZYMPMPXDPK-AZUAARDMSA-N 1 0 316.489 4.178 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CCc1cccc2ccccc21 ZINC001620783117 1055952149 /nfs/dbraw/zinc/95/21/49/1055952149.db2.gz WJUWCNHAJYUDRI-UHFFFAOYSA-N 1 0 315.416 4.184 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(=O)oc3cc(C)ccc23)CCCCC1 ZINC001620499828 1055957792 /nfs/dbraw/zinc/95/77/92/1055957792.db2.gz HYIOIVOAXYLCGJ-UHFFFAOYSA-N 1 0 311.425 4.470 20 30 DIEDRO C=CCOCC[N@H+]1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001620504273 1055958990 /nfs/dbraw/zinc/95/89/90/1055958990.db2.gz NUGSMHIWPIAKLW-QGZVFWFLSA-N 1 0 311.828 4.079 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001620995444 1055965830 /nfs/dbraw/zinc/96/58/30/1055965830.db2.gz NARNVWYFPZAPPT-OTWHNJEPSA-N 1 0 322.537 4.458 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC001621004145 1055971088 /nfs/dbraw/zinc/97/10/88/1055971088.db2.gz KZDCCYFJBTXOJF-IAGOWNOFSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)C1 ZINC001621010245 1055975638 /nfs/dbraw/zinc/97/56/38/1055975638.db2.gz FFIDZHGINFSRDN-WCXIOVBPSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1ccc(OCc2cccnc2)cc1 ZINC001620646855 1055977125 /nfs/dbraw/zinc/97/71/25/1055977125.db2.gz UAKDBRQNEAERPC-UHFFFAOYSA-N 1 0 310.441 4.449 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccccc1 ZINC001168594190 1055977198 /nfs/dbraw/zinc/97/71/98/1055977198.db2.gz OZPSIUCUAPUTPX-QZTJIDSGSA-N 1 0 314.473 4.198 20 30 DIEDRO CCC(C)(C)CC[NH2+]Cc1cc(C#N)ccc1Br ZINC001621030030 1055992555 /nfs/dbraw/zinc/99/25/55/1055992555.db2.gz RVWQILVTBRLPHW-UHFFFAOYSA-N 1 0 309.251 4.237 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(C)(C)c1ccccc1 ZINC001620810683 1056003837 /nfs/dbraw/zinc/00/38/37/1056003837.db2.gz XYHBPJBJPOJUGM-FQEVSTJZSA-N 1 0 322.452 4.413 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CCCC1 ZINC001621044910 1056004263 /nfs/dbraw/zinc/00/42/63/1056004263.db2.gz BNZKNXZYMBGNKP-UHFFFAOYSA-N 1 0 301.336 4.260 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC001621045701 1056005037 /nfs/dbraw/zinc/00/50/37/1056005037.db2.gz DPWVVVWWHIZXDM-CYBMUJFWSA-N 1 0 321.873 4.485 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001621045789 1056006911 /nfs/dbraw/zinc/00/69/11/1056006911.db2.gz HPZZIFCKKCKGPH-QGZVFWFLSA-N 1 0 315.388 4.035 20 30 DIEDRO C=CCCC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC001621048698 1056008732 /nfs/dbraw/zinc/00/87/32/1056008732.db2.gz VBJSFVOYRFYUMJ-SFHVURJKSA-N 1 0 322.443 4.403 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2cccc(OC)c2OC(F)F)CC1 ZINC001621060620 1056016956 /nfs/dbraw/zinc/01/69/56/1056016956.db2.gz GGNOQGSXVOGJMR-UHFFFAOYSA-N 1 0 311.372 4.133 20 30 DIEDRO C=CCC[C@@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC001602980423 1056020289 /nfs/dbraw/zinc/02/02/89/1056020289.db2.gz GOQUAUMFOVVKJF-LJQANCHMSA-N 1 0 314.473 4.099 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC001540603343 1056050488 /nfs/dbraw/zinc/05/04/88/1056050488.db2.gz FIIDUABJBWMTIV-UHFFFAOYSA-N 1 0 324.424 4.234 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NC2CCC(OC)CC2)cc1 ZINC001168610330 1056066860 /nfs/dbraw/zinc/06/68/60/1056066860.db2.gz CBYAQIVDLHOBLX-SOAGJPPSSA-N 1 0 314.473 4.379 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2C)C(C)C)cc1 ZINC000186318315 1056102125 /nfs/dbraw/zinc/10/21/25/1056102125.db2.gz SXAWHSDRRRQOPH-FQEVSTJZSA-N 1 0 308.425 4.362 20 30 DIEDRO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001542186177 1056107826 /nfs/dbraw/zinc/10/78/26/1056107826.db2.gz NYZLFLAYVSTROZ-QZTJIDSGSA-N 1 0 310.526 4.220 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccncc1 ZINC000090997611 1056162943 /nfs/dbraw/zinc/16/29/43/1056162943.db2.gz MNXHNZQWIXYWFY-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001543416690 1056217395 /nfs/dbraw/zinc/21/73/95/1056217395.db2.gz ONFRCNPIJYQOHD-GXDHUFHOSA-N 1 0 320.521 4.380 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001543592860 1056259567 /nfs/dbraw/zinc/25/95/67/1056259567.db2.gz NKRGAPGTDLADQB-MSOLQXFVSA-N 1 0 308.510 4.212 20 30 DIEDRO N#Cc1cnc(-c2ccc(C[NH+]3CCCC3)cc2)c2ccccc12 ZINC001240044807 1056278339 /nfs/dbraw/zinc/27/83/39/1056278339.db2.gz HEDCREMRPLEIQI-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)c(CC#N)c1 ZINC001240057889 1056292302 /nfs/dbraw/zinc/29/23/02/1056292302.db2.gz ALYIMYMBNMDNJA-UHFFFAOYSA-N 1 0 306.409 4.024 20 30 DIEDRO O/N=C1/CCc2cc(-c3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC001240060561 1056297178 /nfs/dbraw/zinc/29/71/78/1056297178.db2.gz MSYVWOVQRGCTIS-MRCUWXFGSA-N 1 0 306.409 4.074 20 30 DIEDRO N#Cc1nc2c(cccc2-c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC001240062174 1056297561 /nfs/dbraw/zinc/29/75/61/1056297561.db2.gz TXXJXICJKXIIIU-UHFFFAOYSA-N 1 0 319.433 4.431 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000301545484 1056333554 /nfs/dbraw/zinc/33/35/54/1056333554.db2.gz OSKFTLOOMHQMRZ-QAPCUYQASA-N 1 0 323.415 4.162 20 30 DIEDRO N#Cc1cnc2cc[nH]c(-c3cccc(C[NH+]4CCCCC4)c3)c1-2 ZINC001240161388 1056357869 /nfs/dbraw/zinc/35/78/69/1056357869.db2.gz DMHNCYFQSZIXQB-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO N#Cc1c[nH]c2nccc(-c3cccc(C[NH+]4CCCCC4)c3)c12 ZINC001240175318 1056364258 /nfs/dbraw/zinc/36/42/58/1056364258.db2.gz ZXJWLYGHAGBODU-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO N#Cc1ccnc(SCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001613475280 1056381000 /nfs/dbraw/zinc/38/10/00/1056381000.db2.gz MMECOCUMLHMLMF-UHFFFAOYSA-N 1 0 323.465 4.231 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001544358117 1056412577 /nfs/dbraw/zinc/41/25/77/1056412577.db2.gz VABNCLLGTPLMSJ-MOPGFXCFSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001544358119 1056413255 /nfs/dbraw/zinc/41/32/55/1056413255.db2.gz VABNCLLGTPLMSJ-RBUKOAKNSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC001584797469 1056417781 /nfs/dbraw/zinc/41/77/81/1056417781.db2.gz IQBYCKXTFRKYRZ-QZTJIDSGSA-N 1 0 310.526 4.316 20 30 DIEDRO N#CC1(c2ccccc2-c2ccc3ncsc3c2)CC[NH2+]CC1 ZINC001240345438 1056438686 /nfs/dbraw/zinc/43/86/86/1056438686.db2.gz PEZGFZZJFYRFLY-UHFFFAOYSA-N 1 0 319.433 4.108 20 30 DIEDRO N#Cc1cc(-c2ccc3c4c(cccc42)CC3)cc(C2C[NH2+]C2)c1 ZINC001240351501 1056441822 /nfs/dbraw/zinc/44/18/22/1056441822.db2.gz RQMGZOOXMHOWBD-UHFFFAOYSA-N 1 0 310.400 4.164 20 30 DIEDRO COc1cc(F)c(C(C)C)cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240350428 1056441988 /nfs/dbraw/zinc/44/19/88/1056441988.db2.gz BJJJZWNKOFNTAS-UHFFFAOYSA-N 1 0 324.399 4.183 20 30 DIEDRO N#Cc1cc(-c2ccc(OC3CCCC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240356934 1056443808 /nfs/dbraw/zinc/44/38/08/1056443808.db2.gz YFYFEFPARKDMOD-UHFFFAOYSA-N 1 0 318.420 4.233 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ncnc3cc(C#N)ccc32)cc1 ZINC001240360341 1056445275 /nfs/dbraw/zinc/44/52/75/1056445275.db2.gz BESOYHFUEMELBO-UHFFFAOYSA-N 1 0 316.408 4.057 20 30 DIEDRO CCc1nnc(-c2ccc(C[NH2+]C(C)(C)C)cc2)c(C#N)c1CC ZINC001240368351 1056453158 /nfs/dbraw/zinc/45/31/58/1056453158.db2.gz SVRQNFHJZBUGML-UHFFFAOYSA-N 1 0 322.456 4.028 20 30 DIEDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(CC#N)c(C#N)c2)cc1 ZINC001240370627 1056457403 /nfs/dbraw/zinc/45/74/03/1056457403.db2.gz VHBQNFBFCAERHP-UHFFFAOYSA-N 1 0 303.409 4.179 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000072742226 1056467168 /nfs/dbraw/zinc/46/71/68/1056467168.db2.gz LVKMOWPPHUMOLX-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO CC[N@H+](CCOCc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001615229293 1056479922 /nfs/dbraw/zinc/47/99/22/1056479922.db2.gz IEEZCKHMTRPACU-KRWDZBQOSA-N 1 0 308.425 4.158 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001615223750 1056480756 /nfs/dbraw/zinc/48/07/56/1056480756.db2.gz WQTCOEKAPBRJIX-INIZCTEOSA-N 1 0 306.409 4.316 20 30 DIEDRO CCCCCCCCC[N@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC001615239550 1056481770 /nfs/dbraw/zinc/48/17/70/1056481770.db2.gz FPMFHJVFDVPJAC-GOSISDBHSA-N 1 0 311.510 4.397 20 30 DIEDRO N#Cc1cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)ccc1Cl ZINC001240401009 1056482232 /nfs/dbraw/zinc/48/22/32/1056482232.db2.gz XSKSVKRZCRXNAU-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H](c2ccccc2)O1 ZINC001615245448 1056482765 /nfs/dbraw/zinc/48/27/65/1056482765.db2.gz IKRFMKVSZZVXMC-IEBWSBKVSA-N 1 0 312.457 4.313 20 30 DIEDRO C[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(Cl)c(C#N)c2)nc1 ZINC001240401475 1056484086 /nfs/dbraw/zinc/48/40/86/1056484086.db2.gz YNDITQQEVHBAKZ-SFHVURJKSA-N 1 0 311.816 4.430 20 30 DIEDRO C#CC[N@H+](Cc1ccc2c(c1)CCC2)[C@H]1CCc2ccccc21 ZINC001615264635 1056484884 /nfs/dbraw/zinc/48/48/84/1056484884.db2.gz CYNXRWHPSLBWNK-QFIPXVFZSA-N 1 0 301.433 4.298 20 30 DIEDRO C#CC[N@H+](C[C@@H]1CCCC2(CCC2)O1)[C@H]1CCc2ccccc21 ZINC001615272436 1056486482 /nfs/dbraw/zinc/48/64/82/1056486482.db2.gz NYVDOUSALUSDAI-ICSRJNTNSA-N 1 0 309.453 4.101 20 30 DIEDRO C#CC[N@H+](C[C@@H]1CCCC2(CCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615272435 1056487227 /nfs/dbraw/zinc/48/72/27/1056487227.db2.gz NYVDOUSALUSDAI-AZUAARDMSA-N 1 0 309.453 4.101 20 30 DIEDRO C#CC[N@H+](C[C@H]1CCCC2(CCC2)O1)[C@H]1CCc2ccccc21 ZINC001615272437 1056487443 /nfs/dbraw/zinc/48/74/43/1056487443.db2.gz NYVDOUSALUSDAI-QUCCMNQESA-N 1 0 309.453 4.101 20 30 DIEDRO C#CC[N@H+](C[C@H]1CCCC2(CCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615272438 1056487896 /nfs/dbraw/zinc/48/78/96/1056487896.db2.gz NYVDOUSALUSDAI-UYAOXDASSA-N 1 0 309.453 4.101 20 30 DIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CC1CCC(C#N)CC1 ZINC001615320082 1056491232 /nfs/dbraw/zinc/49/12/32/1056491232.db2.gz YFAGMGGZFPUHNC-UHFFFAOYSA-N 1 0 309.457 4.346 20 30 DIEDRO CCCCCCCC[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC001615337977 1056496978 /nfs/dbraw/zinc/49/69/78/1056496978.db2.gz PPSRETMNMJOOMM-UHFFFAOYSA-N 1 0 309.885 4.218 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1C#N ZINC001615362874 1056499110 /nfs/dbraw/zinc/49/91/10/1056499110.db2.gz FUSWEJPNADWDOJ-UHFFFAOYSA-N 1 0 322.427 4.461 20 30 DIEDRO C=CCCCCC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC001615406112 1056505611 /nfs/dbraw/zinc/50/56/11/1056505611.db2.gz RTLPYEHENKGFHE-KRWDZBQOSA-N 1 0 301.430 4.341 20 30 DIEDRO N#CCC1(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC001615417042 1056507583 /nfs/dbraw/zinc/50/75/83/1056507583.db2.gz BRBGMWZJQQOYFL-UHFFFAOYSA-N 1 0 310.441 4.060 20 30 DIEDRO CCCCCCCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001615422904 1056507666 /nfs/dbraw/zinc/50/76/66/1056507666.db2.gz MZKNSOSMOJIPNM-UHFFFAOYSA-N 1 0 312.498 4.290 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC001544857027 1056515078 /nfs/dbraw/zinc/51/50/78/1056515078.db2.gz HIDJFBQUSLWIDH-BZSNNMDCSA-N 1 0 310.526 4.314 20 30 DIEDRO N#CCc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240457376 1056519305 /nfs/dbraw/zinc/51/93/05/1056519305.db2.gz SMEXQUAFDNGJNV-UHFFFAOYSA-N 1 0 316.326 4.084 20 30 DIEDRO C=CCCCCC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001615523879 1056526868 /nfs/dbraw/zinc/52/68/68/1056526868.db2.gz JQDWGMDZKNVNJF-IYBDPMFKSA-N 1 0 310.482 4.063 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001615535652 1056530156 /nfs/dbraw/zinc/53/01/56/1056530156.db2.gz KFQNCLFPMUNVLJ-QGZVFWFLSA-N 1 0 310.526 4.221 20 30 DIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCc2ccc(C#N)cc2)c1 ZINC001615563863 1056537718 /nfs/dbraw/zinc/53/77/18/1056537718.db2.gz YPELFSOHTXZHNO-OAQYLSRUSA-N 1 0 319.452 4.004 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC001615584481 1056544576 /nfs/dbraw/zinc/54/45/76/1056544576.db2.gz SUYGSWZPHHGFAY-GOSISDBHSA-N 1 0 300.446 4.358 20 30 DIEDRO C[C@@H]1C[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC001615638691 1056548784 /nfs/dbraw/zinc/54/87/84/1056548784.db2.gz AWJSDVVYKIZGEN-RTBURBONSA-N 1 0 318.464 4.474 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccn3ccnc3c2)cc1 ZINC001240518605 1056549019 /nfs/dbraw/zinc/54/90/19/1056549019.db2.gz RDUSMLLSIAMKHA-IBGZPJMESA-N 1 0 303.409 4.324 20 30 DIEDRO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC001615638685 1056549157 /nfs/dbraw/zinc/54/91/57/1056549157.db2.gz AWJSDVVYKIZGEN-KDURUIRLSA-N 1 0 318.464 4.474 20 30 DIEDRO C[C@H]1C[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC001615638689 1056550703 /nfs/dbraw/zinc/55/07/03/1056550703.db2.gz AWJSDVVYKIZGEN-OALUTQOASA-N 1 0 318.464 4.474 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)c(C)s1 ZINC001168684774 1056552434 /nfs/dbraw/zinc/55/24/34/1056552434.db2.gz DKJUTIJHVMQPLQ-CQSZACIVSA-N 1 0 314.454 4.356 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC001615664361 1056558617 /nfs/dbraw/zinc/55/86/17/1056558617.db2.gz AECBMFHJWRIVJV-AUUYWEPGSA-N 1 0 324.399 4.289 20 30 DIEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000111411459 1056576617 /nfs/dbraw/zinc/57/66/17/1056576617.db2.gz ISTDERHZXOMCOK-IERDGZPVSA-N 1 0 320.436 4.392 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCCCOC2CCCCC2)cc1 ZINC000111410467 1056577061 /nfs/dbraw/zinc/57/70/61/1056577061.db2.gz FCIPWUJLFQHVKZ-UHFFFAOYSA-N 1 0 300.446 4.167 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(CC)CCCCC1)C(C)C ZINC001615883699 1056591028 /nfs/dbraw/zinc/59/10/28/1056591028.db2.gz BYXVVEHSPCWGLP-GOSISDBHSA-N 1 0 320.521 4.162 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)C1(CC)CC ZINC001615998028 1056603380 /nfs/dbraw/zinc/60/33/80/1056603380.db2.gz AIEYJBSTAURWKD-OALUTQOASA-N 1 0 314.473 4.168 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)C1(CC)CC ZINC001615998473 1056605834 /nfs/dbraw/zinc/60/58/34/1056605834.db2.gz FZPCEBNTHWDPBE-IAGOWNOFSA-N 1 0 318.436 4.113 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1csc(C#N)c1 ZINC000921911655 1056613079 /nfs/dbraw/zinc/61/30/79/1056613079.db2.gz WGGFKAPFCKEFEW-UHFFFAOYSA-N 1 0 311.454 4.136 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC001616159980 1056615465 /nfs/dbraw/zinc/61/54/65/1056615465.db2.gz WLXLEBHKLJFOAK-ZWKOTPCHSA-N 1 0 318.436 4.113 20 30 DIEDRO CSCc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000921926332 1056627356 /nfs/dbraw/zinc/62/73/56/1056627356.db2.gz VLWWKTPNXJGSFK-UHFFFAOYSA-N 1 0 308.450 4.200 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](Cc2ccccc2OC)C(C)C)cc1 ZINC001620830827 1056643508 /nfs/dbraw/zinc/64/35/08/1056643508.db2.gz ACKDLWFQKKNGSD-HXUWFJFHSA-N 1 0 307.437 4.033 20 30 DIEDRO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cccc(C#N)c2)cc1 ZINC000112635819 1056643792 /nfs/dbraw/zinc/64/37/92/1056643792.db2.gz FFPKIWNQJVLEHS-IBGZPJMESA-N 1 0 308.450 4.157 20 30 DIEDRO Cc1cc(C)cc(C2=CC[N@H+](Cc3cccc(C#N)c3)CC2)c1 ZINC001616396346 1056649058 /nfs/dbraw/zinc/64/90/58/1056649058.db2.gz VONJMBAUQOQTBS-UHFFFAOYSA-N 1 0 302.421 4.464 20 30 DIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2C#N)cc1)C(C)C ZINC000076708904 1056651421 /nfs/dbraw/zinc/65/14/21/1056651421.db2.gz JBQVQYJVJSBIQO-UHFFFAOYSA-N 1 0 321.424 4.041 20 30 DIEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001616549059 1056676232 /nfs/dbraw/zinc/67/62/32/1056676232.db2.gz NBNNWGMAVQXENI-AWEZNQCLSA-N 1 0 321.262 4.189 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+]C1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001616631085 1056691167 /nfs/dbraw/zinc/69/11/67/1056691167.db2.gz YZSMSCYTFOYJLG-INIZCTEOSA-N 1 0 314.473 4.272 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cs1 ZINC000921967166 1056692695 /nfs/dbraw/zinc/69/26/95/1056692695.db2.gz BBZKSMXHIVCKLM-HNNXBMFYSA-N 1 0 318.829 4.277 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCCCO)c1ccc(C(F)(F)F)cc1 ZINC001616669255 1056698259 /nfs/dbraw/zinc/69/82/59/1056698259.db2.gz DIZVVZIFTZSTSL-MRXNPFEDSA-N 1 0 315.379 4.465 20 30 DIEDRO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001616700474 1056702955 /nfs/dbraw/zinc/70/29/55/1056702955.db2.gz UUHOQBWNYXRCEF-CVEARBPZSA-N 1 0 310.482 4.063 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001616737687 1056707860 /nfs/dbraw/zinc/70/78/60/1056707860.db2.gz DGYXAAIPYOFCJW-QGZVFWFLSA-N 1 0 318.461 4.198 20 30 DIEDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1c(C)cc(C#N)cc1C)CCC2 ZINC000921981298 1056711156 /nfs/dbraw/zinc/71/11/56/1056711156.db2.gz SRTHJEITERCKJV-INIZCTEOSA-N 1 0 311.454 4.107 20 30 DIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc2c(c1)CCC2 ZINC001616801654 1056719656 /nfs/dbraw/zinc/71/96/56/1056719656.db2.gz SNDGVTXWRRTSPO-MRXNPFEDSA-N 1 0 320.436 4.167 20 30 DIEDRO C=C(C)c1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001240833345 1056723914 /nfs/dbraw/zinc/72/39/14/1056723914.db2.gz PJMHNKGZOYUSRR-UHFFFAOYSA-N 1 0 317.436 4.172 20 30 DIEDRO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1C=C1CC[NH2+]CC1 ZINC001240876867 1056735166 /nfs/dbraw/zinc/73/51/66/1056735166.db2.gz IBDZKXLMXLHJEA-UHFFFAOYSA-N 1 0 313.216 4.029 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccco1 ZINC000672620048 1056736428 /nfs/dbraw/zinc/73/64/28/1056736428.db2.gz SHJBDKRYRMTAIM-RDJZCZTQSA-N 1 0 319.832 4.306 20 30 DIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc2c(c1)CCCC2 ZINC001617041165 1056765198 /nfs/dbraw/zinc/76/51/98/1056765198.db2.gz VSVNKTQBIBOOMG-INIZCTEOSA-N 1 0 320.436 4.167 20 30 DIEDRO CCCCC[N@H+](CCCOC)Cc1cc(Cl)cc(C#N)c1 ZINC001617132957 1056780489 /nfs/dbraw/zinc/78/04/89/1056780489.db2.gz QRGAGJHJUIPHPF-UHFFFAOYSA-N 1 0 308.853 4.240 20 30 DIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OC ZINC001617133957 1056782325 /nfs/dbraw/zinc/78/23/25/1056782325.db2.gz UEYIIKFTELIGMB-QRWLVFNGSA-N 1 0 308.425 4.301 20 30 DIEDRO C#CC(C)(C)[N@@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC001617175433 1056786472 /nfs/dbraw/zinc/78/64/72/1056786472.db2.gz DDOKAIGLHAQKFB-UHFFFAOYSA-N 1 0 317.376 4.151 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000922097031 1056800118 /nfs/dbraw/zinc/80/01/18/1056800118.db2.gz OKFCVZZWJFOHOT-UHFFFAOYSA-N 1 0 321.424 4.293 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC001617275145 1056805887 /nfs/dbraw/zinc/80/58/87/1056805887.db2.gz VSUKOGUNRSLZKP-AEFFLSMTSA-N 1 0 300.446 4.261 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c(OC(F)F)c1 ZINC001617291326 1056808878 /nfs/dbraw/zinc/80/88/78/1056808878.db2.gz JGEXAVDIEYZPLA-UHFFFAOYSA-N 1 0 320.383 4.316 20 30 DIEDRO C=C(C)[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc(F)c(F)c1 ZINC001617345930 1056817066 /nfs/dbraw/zinc/81/70/66/1056817066.db2.gz VVCLXQKQNBNSRL-KRWDZBQOSA-N 1 0 309.400 4.257 20 30 DIEDRO N#Cc1cncc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1 ZINC001617345912 1056817293 /nfs/dbraw/zinc/81/72/93/1056817293.db2.gz VRDCZMKKGFDORJ-HBMCJLEFSA-N 1 0 317.436 4.111 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1nccc2c1CCCC2)c1ccccc1 ZINC000922144623 1056845264 /nfs/dbraw/zinc/84/52/64/1056845264.db2.gz HFWYVQLQGUQGNG-FQEVSTJZSA-N 1 0 319.452 4.485 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccccc1 ZINC000922145831 1056847231 /nfs/dbraw/zinc/84/72/31/1056847231.db2.gz WYLUHVVCZBVXNH-LJQANCHMSA-N 1 0 308.429 4.133 20 30 DIEDRO C#CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC001617627616 1056859322 /nfs/dbraw/zinc/85/93/22/1056859322.db2.gz IEDFLKWVFHYCSA-VNTMZGSJSA-N 1 0 305.506 4.222 20 30 DIEDRO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC001617620370 1056859691 /nfs/dbraw/zinc/85/96/91/1056859691.db2.gz DWXCDHYNAODJCK-QGZVFWFLSA-N 1 0 308.425 4.209 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000922161118 1056877528 /nfs/dbraw/zinc/87/75/28/1056877528.db2.gz SIOZJQMIKWUGSL-RDJZCZTQSA-N 1 0 307.397 4.046 20 30 DIEDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2C#N)C1(C)C ZINC001617807608 1056886651 /nfs/dbraw/zinc/88/66/51/1056886651.db2.gz OYJHAJJWAIVATN-IRXDYDNUSA-N 1 0 320.864 4.285 20 30 DIEDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C1(C)C ZINC001617999994 1056912149 /nfs/dbraw/zinc/91/21/49/1056912149.db2.gz CPDPORMIWPNQJT-PMACEKPBSA-N 1 0 320.436 4.128 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001617998036 1056912238 /nfs/dbraw/zinc/91/22/38/1056912238.db2.gz IDROGRIADZONBD-GGPKGHCWSA-N 1 0 322.537 4.173 20 30 DIEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001618048866 1056918068 /nfs/dbraw/zinc/91/80/68/1056918068.db2.gz VTZSCMSQTPWAED-AWEZNQCLSA-N 1 0 314.654 4.302 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001618195962 1056933132 /nfs/dbraw/zinc/93/31/32/1056933132.db2.gz GUENIHVHWGKFJK-LLGFUMIMSA-N 1 0 307.412 4.444 20 30 DIEDRO N#CC1(C[N@H+]2CCCCC[C@H]2Cc2ccccc2Cl)CC1 ZINC001618208026 1056934529 /nfs/dbraw/zinc/93/45/29/1056934529.db2.gz KPFXAPQPDIJBOL-INIZCTEOSA-N 1 0 302.849 4.431 20 30 DIEDRO C[C@H](C[N@H+](C)CCOCc1ccc(C#N)cc1)C1CCCCC1 ZINC001618273187 1056943904 /nfs/dbraw/zinc/94/39/04/1056943904.db2.gz HJDGWHPUWFVELF-QGZVFWFLSA-N 1 0 314.473 4.223 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cnccc1C(C)(C)C ZINC000922181868 1056954026 /nfs/dbraw/zinc/95/40/26/1056954026.db2.gz CEEGMXFYOVOMDP-UHFFFAOYSA-N 1 0 307.441 4.157 20 30 DIEDRO Cc1cnc(Cl)c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000922190261 1056962417 /nfs/dbraw/zinc/96/24/17/1056962417.db2.gz IKYDJWRNZVAMOR-KRWDZBQOSA-N 1 0 311.816 4.082 20 30 DIEDRO CCCCCCCOc1ccc(-c2cc3c(nn2)C[NH2+]C3)cc1 ZINC001241218278 1056966091 /nfs/dbraw/zinc/96/60/91/1056966091.db2.gz OIOREEPJENLFBB-UHFFFAOYSA-N 1 0 311.429 4.096 20 30 DIEDRO N#Cc1cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC000922221416 1056981157 /nfs/dbraw/zinc/98/11/57/1056981157.db2.gz ZCEUGUTXXWZPBH-UHFFFAOYSA-N 1 0 322.355 4.417 20 30 DIEDRO CCOc1cccc(F)c1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001241253678 1056982236 /nfs/dbraw/zinc/98/22/36/1056982236.db2.gz QHLLWEDSUALJFS-UHFFFAOYSA-N 1 0 324.399 4.036 20 30 DIEDRO CCOc1cccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1F ZINC001241266966 1056987765 /nfs/dbraw/zinc/98/77/65/1056987765.db2.gz MNBYTTCMTUAQCK-UHFFFAOYSA-N 1 0 324.399 4.036 20 30 DIEDRO CCOc1ccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c(C)c1 ZINC001241273261 1056991125 /nfs/dbraw/zinc/99/11/25/1056991125.db2.gz GKGOUYZYLMNQAU-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(F)c(Cl)c2Cl)CCOCC1 ZINC000657633585 1057003465 /nfs/dbraw/zinc/00/34/65/1057003465.db2.gz QXAUAMGIYNSYCQ-UHFFFAOYSA-N 1 0 318.219 4.347 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(N(C)C)nc2)cc1 ZINC001241373445 1057029874 /nfs/dbraw/zinc/02/98/74/1057029874.db2.gz ZEVWZDHMJPOSLE-LJQANCHMSA-N 1 0 307.441 4.138 20 30 DIEDRO Cc1cc(C#N)c(-c2ccc(C[NH+]3CCCCC3)cc2)nc1C ZINC001241387073 1057033647 /nfs/dbraw/zinc/03/36/47/1057033647.db2.gz UTRLQMBFCZCQBT-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO N#Cc1nc2[nH]ccc2cc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001241388489 1057034698 /nfs/dbraw/zinc/03/46/98/1057034698.db2.gz AEQOIUCCTJNELD-UHFFFAOYSA-N 1 0 316.408 4.039 20 30 DIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000093492379 1057038079 /nfs/dbraw/zinc/03/80/79/1057038079.db2.gz NHPFLQUTZQBPNW-CYBMUJFWSA-N 1 0 300.427 4.258 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)cc2OC)nc1 ZINC001241396602 1057038337 /nfs/dbraw/zinc/03/83/37/1057038337.db2.gz DTGVMTZKZCJMLS-IBGZPJMESA-N 1 0 321.424 4.176 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(C(F)(F)F)cc1 ZINC000093492247 1057038647 /nfs/dbraw/zinc/03/86/47/1057038647.db2.gz JTFWVZSPNNNWPX-SNVBAGLBSA-N 1 0 310.344 4.489 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1cccc(C#N)c1 ZINC000389949941 1057039103 /nfs/dbraw/zinc/03/91/03/1057039103.db2.gz WLNXIZCRPFGIKD-DLBZAZTESA-N 1 0 308.425 4.204 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cc2ccncc2s1 ZINC000922603952 1057039729 /nfs/dbraw/zinc/03/97/29/1057039729.db2.gz PKUNXGOWEIMXKF-UHFFFAOYSA-N 1 0 321.449 4.279 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154959855 1057041370 /nfs/dbraw/zinc/04/13/70/1057041370.db2.gz BOWMKTOZKKBFEP-JXFKEZNVSA-N 1 0 305.425 4.196 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(C#N)cc2OC)c1 ZINC001241408417 1057044499 /nfs/dbraw/zinc/04/44/99/1057044499.db2.gz AFJHZCGMFRVLLN-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO COc1cc(C#N)ccc1-c1ccc(F)c(C[NH+]2CCCCC2)c1 ZINC001241412561 1057044968 /nfs/dbraw/zinc/04/49/68/1057044968.db2.gz UDUUPDCSENHPPE-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1C ZINC000922675840 1057048094 /nfs/dbraw/zinc/04/80/94/1057048094.db2.gz ZCTHBEHVTNNSAA-INIZCTEOSA-N 1 0 320.436 4.410 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ncc(C)cc2C)cc1Cl ZINC000922739603 1057052111 /nfs/dbraw/zinc/05/21/11/1057052111.db2.gz AGRPFDZXDIWTJE-UHFFFAOYSA-N 1 0 316.832 4.206 20 30 DIEDRO Cc1cc(C2=CC[N@H+](Cc3ccccc3)CC2)cc(F)c1C#N ZINC001241504793 1057074561 /nfs/dbraw/zinc/07/45/61/1057074561.db2.gz JWUGEWOEKRIYKQ-UHFFFAOYSA-N 1 0 306.384 4.295 20 30 DIEDRO N#CCc1c(F)cccc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241507938 1057079124 /nfs/dbraw/zinc/07/91/24/1057079124.db2.gz VSCNLCGXZVRVHK-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000021512056 1057083330 /nfs/dbraw/zinc/08/33/30/1057083330.db2.gz GRZKRFHDWUKVDF-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO N#CC1CCC(C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000282173236 1057084883 /nfs/dbraw/zinc/08/48/83/1057084883.db2.gz FCKXWKDHOFNWIH-ZUEPYMLJSA-N 1 0 304.434 4.282 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2cc(CC#N)ccc2OC)cc1 ZINC001241580662 1057096735 /nfs/dbraw/zinc/09/67/35/1057096735.db2.gz KWLIJDXPMPLWDA-UHFFFAOYSA-N 1 0 308.425 4.270 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(OC)cc2CC#N)cc1 ZINC001241582679 1057098157 /nfs/dbraw/zinc/09/81/57/1057098157.db2.gz IJPRIZJBKRNBLZ-UHFFFAOYSA-N 1 0 308.425 4.270 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000766017724 1057105789 /nfs/dbraw/zinc/10/57/89/1057105789.db2.gz CRVCORZUQOWKKR-MAUKXSAKSA-N 1 0 324.424 4.211 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccncc1 ZINC000766018802 1057107545 /nfs/dbraw/zinc/10/75/45/1057107545.db2.gz HKNOLUKADFPSEI-KUHUBIRLSA-N 1 0 309.413 4.008 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1cnn(-c2ccccc2)c1)c1ccncc1 ZINC000766019154 1057115428 /nfs/dbraw/zinc/11/54/28/1057115428.db2.gz KFQSDKPHSUVXIO-UZLBHIALSA-N 1 0 318.424 4.235 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1ccncc1 ZINC000766019977 1057121008 /nfs/dbraw/zinc/12/10/08/1057121008.db2.gz LJFCCWXBRILZHO-KBXCAEBGSA-N 1 0 312.413 4.067 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](CC)c1ccc2c(c1)CCO2)c1ccncc1 ZINC000766023002 1057121786 /nfs/dbraw/zinc/12/17/86/1057121786.db2.gz YYHLGRMIVSFLFM-RTBURBONSA-N 1 0 308.425 4.375 20 30 DIEDRO CC[NH+](CC)Cc1cccc(-c2cc(F)cc(C#N)c2)c1F ZINC001241660616 1057126860 /nfs/dbraw/zinc/12/68/60/1057126860.db2.gz WYNCONIFAXCSGC-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Br)cs1 ZINC000226392989 1057127896 /nfs/dbraw/zinc/12/78/96/1057127896.db2.gz UEDITOABRUURQX-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000625700028 1057192088 /nfs/dbraw/zinc/19/20/88/1057192088.db2.gz HAAPYWRDDLQFPI-NSHDSACASA-N 1 0 310.319 4.245 20 30 DIEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000625701166 1057192659 /nfs/dbraw/zinc/19/26/59/1057192659.db2.gz OWWSGSQCLPYZHF-QGZVFWFLSA-N 1 0 308.425 4.059 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)c2ccncc2)cc1Cl ZINC000674069198 1057198685 /nfs/dbraw/zinc/19/86/85/1057198685.db2.gz CPIFDFIRRSGICJ-AWEZNQCLSA-N 1 0 316.832 4.193 20 30 DIEDRO C#Cc1cccc(-c2nccc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC001241916753 1057210666 /nfs/dbraw/zinc/21/06/66/1057210666.db2.gz HXNYDHORDJJQHF-UHFFFAOYSA-N 1 0 324.427 4.288 20 30 DIEDRO C#Cc1cccc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)c1 ZINC001241919730 1057210721 /nfs/dbraw/zinc/21/07/21/1057210721.db2.gz MDVOXXMOJRCTFN-NHCUHLMSSA-N 1 0 305.421 4.121 20 30 DIEDRO C#Cc1cccc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001241922086 1057211918 /nfs/dbraw/zinc/21/19/18/1057211918.db2.gz ZOPJUMMJBJYXTJ-SFTDATJTSA-N 1 0 305.421 4.121 20 30 DIEDRO N#Cc1ccc2c(c1)nccc2-c1cccc(C[NH+]2CCCC2)c1 ZINC001242118049 1057267956 /nfs/dbraw/zinc/26/79/56/1057267956.db2.gz BVRZMWWQXXEGBB-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO N#Cc1nc2c(cccc2-c2cccc(C[NH+]3CCCC3)c2)s1 ZINC001242120035 1057269068 /nfs/dbraw/zinc/26/90/68/1057269068.db2.gz RRSSHIFNAPENBA-UHFFFAOYSA-N 1 0 319.433 4.431 20 30 DIEDRO N#Cc1ccc2cc(-c3cccc(C[NH+]4CCCC4)c3)ccc2n1 ZINC001242123203 1057270703 /nfs/dbraw/zinc/27/07/03/1057270703.db2.gz XFCJIMOBCLKPCO-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(C#N)cc1 ZINC000173205273 1057285419 /nfs/dbraw/zinc/28/54/19/1057285419.db2.gz ONULUTMGYJSADN-HOTGVXAUSA-N 1 0 316.408 4.156 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CSc3ccccc32)cc1 ZINC000766072116 1057285775 /nfs/dbraw/zinc/28/57/75/1057285775.db2.gz PZNCEVYPIFBCPM-KDOFPFPSSA-N 1 0 309.434 4.196 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)c(O)c2)cc1 ZINC001242176990 1057287375 /nfs/dbraw/zinc/28/73/75/1057287375.db2.gz RLBZIUSJLRDQAW-GOSISDBHSA-N 1 0 309.409 4.391 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(-c2ccc(OC)cc2)no1 ZINC000658189294 1057311442 /nfs/dbraw/zinc/31/14/42/1057311442.db2.gz YUEGUELPULBPPB-ZIAGYGMSSA-N 1 0 300.402 4.041 20 30 DIEDRO Cc1c(F)c(F)ccc1-c1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001242308142 1057329904 /nfs/dbraw/zinc/32/99/04/1057329904.db2.gz XRXAWJXMWSSXHP-UHFFFAOYSA-N 1 0 312.363 4.085 20 30 DIEDRO CC[NH+](CC)Cc1cc(C2=CC(=O)CC(C)(C)C2)ccc1OC ZINC001242318161 1057332868 /nfs/dbraw/zinc/33/28/68/1057332868.db2.gz RYSOYZPBVUTFMC-UHFFFAOYSA-N 1 0 315.457 4.310 20 30 DIEDRO CC1(C)CC(=O)C=C(c2cccc(C[NH+]3CCCC3)c2F)C1 ZINC001242318300 1057333143 /nfs/dbraw/zinc/33/31/43/1057333143.db2.gz ZWLOGSMAYRPUQK-UHFFFAOYSA-N 1 0 301.405 4.194 20 30 DIEDRO CC1(C)CC=C(c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)CC1 ZINC001242329428 1057336450 /nfs/dbraw/zinc/33/64/50/1057336450.db2.gz RDNGNIXTVWJWGQ-UHFFFAOYSA-N 1 0 310.441 4.283 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cnc(C#N)c(C)c2)nc1 ZINC001242354684 1057343393 /nfs/dbraw/zinc/34/33/93/1057343393.db2.gz BWVKRYOUSJTYKS-HXUWFJFHSA-N 1 0 320.440 4.261 20 30 DIEDRO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(C#N)c1 ZINC000245902772 1057347915 /nfs/dbraw/zinc/34/79/15/1057347915.db2.gz ODGGWVZWTXHPOP-CDXJDZJCSA-N 1 0 320.436 4.377 20 30 DIEDRO COc1cccc(C2(C[NH2+]CC(C)(C)CCC#N)CCCC2)c1 ZINC000174372073 1057359417 /nfs/dbraw/zinc/35/94/17/1057359417.db2.gz XHYITNVWMOULCL-UHFFFAOYSA-N 1 0 314.473 4.427 20 30 DIEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000174406245 1057360735 /nfs/dbraw/zinc/36/07/35/1057360735.db2.gz NFBHYXZYTKSBIO-KRWDZBQOSA-N 1 0 317.452 4.023 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000174431619 1057362007 /nfs/dbraw/zinc/36/20/07/1057362007.db2.gz RSANLYNTWHTRLK-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3cc(C)cc(C#N)c3)c(C)c2)CC1 ZINC001242476878 1057378117 /nfs/dbraw/zinc/37/81/17/1057378117.db2.gz OATDESJAESRXFD-UHFFFAOYSA-N 1 0 317.436 4.346 20 30 DIEDRO Cc1ccc(C#N)cc1-c1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001242540854 1057398522 /nfs/dbraw/zinc/39/85/22/1057398522.db2.gz GOFKUYLJXNDCTA-INIZCTEOSA-N 1 0 305.425 4.303 20 30 DIEDRO Cc1ccc(C#N)cc1-c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001242542751 1057399371 /nfs/dbraw/zinc/39/93/71/1057399371.db2.gz OSMLPCZRRBYHEM-NHCUHLMSSA-N 1 0 320.436 4.320 20 30 DIEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(O)c(C#N)c2)nc1 ZINC001242563749 1057406835 /nfs/dbraw/zinc/40/68/35/1057406835.db2.gz VBUYFOXAYJATOX-LJQANCHMSA-N 1 0 321.424 4.263 20 30 DIEDRO C=C(C[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC)c1ccccc1 ZINC000675783179 1057414100 /nfs/dbraw/zinc/41/41/00/1057414100.db2.gz CVCAFBOSPDJIJI-KRWDZBQOSA-N 1 0 322.452 4.269 20 30 DIEDRO C=C(C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000675783596 1057414201 /nfs/dbraw/zinc/41/42/01/1057414201.db2.gz LYCVKUMLRIGTHR-KRWDZBQOSA-N 1 0 322.452 4.324 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000675783366 1057414348 /nfs/dbraw/zinc/41/43/48/1057414348.db2.gz GVEMQASCRVRMEU-OAHLLOKOSA-N 1 0 320.436 4.280 20 30 DIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C)cc2C#N)nc1 ZINC001242591138 1057416864 /nfs/dbraw/zinc/41/68/64/1057416864.db2.gz JQKUQIQTHOOSIE-FQEVSTJZSA-N 1 0 305.425 4.476 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C)cc2C#N)nc1 ZINC001242591139 1057417198 /nfs/dbraw/zinc/41/71/98/1057417198.db2.gz JQKUQIQTHOOSIE-HXUWFJFHSA-N 1 0 305.425 4.476 20 30 DIEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000675934089 1057434559 /nfs/dbraw/zinc/43/45/59/1057434559.db2.gz HTVWWNAJSBALRT-SMDDNHRTSA-N 1 0 302.418 4.491 20 30 DIEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000675933529 1057435021 /nfs/dbraw/zinc/43/50/21/1057435021.db2.gz FXGCQEPANDGRSY-WFASDCNBSA-N 1 0 314.454 4.360 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000676017368 1057443937 /nfs/dbraw/zinc/44/39/37/1057443937.db2.gz BHHBPYOHZONGOK-DLVCFXQMSA-N 1 0 324.468 4.425 20 30 DIEDRO N#Cc1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)nc(C(F)(F)F)c1 ZINC001242688263 1057446863 /nfs/dbraw/zinc/44/68/63/1057446863.db2.gz GOIHCZWMVCGCJX-AWEZNQCLSA-N 1 0 321.346 4.004 20 30 DIEDRO Cc1c(C#N)c(C2=CC[C@H]([NH+]3CCCC3)CC2)nc2ccccc12 ZINC001242688445 1057446899 /nfs/dbraw/zinc/44/68/99/1057446899.db2.gz COYHKSCEHCOYRL-KRWDZBQOSA-N 1 0 317.436 4.447 20 30 DIEDRO N#Cc1cnc(C2=CC[C@H]([NH+]3CCCC3)CC2)c2ccccc12 ZINC001242687871 1057446947 /nfs/dbraw/zinc/44/69/47/1057446947.db2.gz JCKNPLISXSEUDW-KRWDZBQOSA-N 1 0 303.409 4.138 20 30 DIEDRO C[Si](C)(C)C#Cc1ccc(C2=CC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC001242689364 1057447563 /nfs/dbraw/zinc/44/75/63/1057447563.db2.gz ZPPIBZWQBXOKFU-IBGZPJMESA-N 1 0 324.544 4.342 20 30 DIEDRO N#CCc1cc2ccccc2nc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242689138 1057447725 /nfs/dbraw/zinc/44/77/25/1057447725.db2.gz IGYALPVIMUWRSD-LJQANCHMSA-N 1 0 317.436 4.333 20 30 DIEDRO CC(C)(C)c1ccc(C#N)c(C2=CC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC001242690549 1057447963 /nfs/dbraw/zinc/44/79/63/1057447963.db2.gz FQLJDQRKHMPGKX-QGZVFWFLSA-N 1 0 309.457 4.282 20 30 DIEDRO N#Cc1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)ncc1C(F)(F)F ZINC001242688862 1057448032 /nfs/dbraw/zinc/44/80/32/1057448032.db2.gz MQBQEFUKXCBBKJ-AWEZNQCLSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1nccc2cc(C3=CC[C@@H]([NH+]4CCCC4)CC3)ccc21 ZINC001242694238 1057450520 /nfs/dbraw/zinc/45/05/20/1057450520.db2.gz OMPDQQKCHVZBIK-GOSISDBHSA-N 1 0 303.409 4.138 20 30 DIEDRO N#Cc1ccccc1-c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001242714108 1057456693 /nfs/dbraw/zinc/45/66/93/1057456693.db2.gz CYGNKHOADOLYIU-UHFFFAOYSA-N 1 0 315.420 4.345 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1nc(C)sc1C)C(C)C ZINC000676488113 1057478446 /nfs/dbraw/zinc/47/84/46/1057478446.db2.gz BXOKTVFBZVDEQS-YOEHRIQHSA-N 1 0 321.534 4.109 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000676638760 1057492041 /nfs/dbraw/zinc/49/20/41/1057492041.db2.gz AHSWSBPTELQOSY-KUHUBIRLSA-N 1 0 320.427 4.126 20 30 DIEDRO CC(C)(C#N)CCCCN1Cc2ccc(Br)cc2C1 ZINC000707985237 1057499925 /nfs/dbraw/zinc/49/99/25/1057499925.db2.gz NJZSKACMEUOXGY-UHFFFAOYSA-N 1 0 321.262 4.485 20 30 DIEDRO CC#Cc1cncc(-c2ccc([C@H]3CCCC[N@H+]3CC)cn2)c1 ZINC001242941318 1057524240 /nfs/dbraw/zinc/52/42/40/1057524240.db2.gz XOKPLYSXRARHCH-HXUWFJFHSA-N 1 0 305.425 4.062 20 30 DIEDRO CC#Cc1cncc(-c2ccc(OC)cc2C[NH+]2CCCCC2)c1 ZINC001242942038 1057525090 /nfs/dbraw/zinc/52/50/90/1057525090.db2.gz NNQMFOZTNFNGPI-UHFFFAOYSA-N 1 0 320.436 4.115 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccnc(OC)c2OC)cc1 ZINC001242963335 1057529563 /nfs/dbraw/zinc/52/95/63/1057529563.db2.gz OELVGULXDOOZDF-SFHVURJKSA-N 1 0 324.424 4.089 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnn3ccccc23)cc1 ZINC001242966937 1057530245 /nfs/dbraw/zinc/53/02/45/1057530245.db2.gz DYUPTMVBUDYMJD-IBGZPJMESA-N 1 0 303.409 4.324 20 30 DIEDRO C[NH2+]Cc1ccc(-c2nc(-c3cccs3)ccc2C#N)cc1 ZINC001242992446 1057539400 /nfs/dbraw/zinc/53/94/00/1057539400.db2.gz XDDPIHYTMWMETO-UHFFFAOYSA-N 1 0 305.406 4.068 20 30 DIEDRO C[NH2+]Cc1cccc(-c2ccc(C(F)(F)F)cc2CC#N)c1 ZINC001242995881 1057539965 /nfs/dbraw/zinc/53/99/65/1057539965.db2.gz NNPQIQSJAGKMOV-UHFFFAOYSA-N 1 0 304.315 4.158 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000489420728 1057587290 /nfs/dbraw/zinc/58/72/90/1057587290.db2.gz BSFPWUNLXLFBMI-GOSISDBHSA-N 1 0 314.473 4.371 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000611268897 1057587754 /nfs/dbraw/zinc/58/77/54/1057587754.db2.gz ZQCLATQPPUFTSE-UHFFFAOYSA-N 1 0 306.400 4.474 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(CO)ccc2OC)cc1 ZINC001243174787 1057593801 /nfs/dbraw/zinc/59/38/01/1057593801.db2.gz AACFDWXJFXEHCN-HXUWFJFHSA-N 1 0 323.436 4.177 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)c1cccc(C#N)c1 ZINC000611388504 1057594211 /nfs/dbraw/zinc/59/42/11/1057594211.db2.gz PJEQKJQFIHMHFE-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c2ccccc2n1 ZINC000611387408 1057594350 /nfs/dbraw/zinc/59/43/50/1057594350.db2.gz NKRCJSWNRJOKGZ-HNNXBMFYSA-N 1 0 301.393 4.266 20 30 DIEDRO COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392978 1057595245 /nfs/dbraw/zinc/59/52/45/1057595245.db2.gz AIAIQEFXEDDPRX-ACJLOTCBSA-N 1 0 324.399 4.434 20 30 DIEDRO CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393047 1057595259 /nfs/dbraw/zinc/59/52/59/1057595259.db2.gz FCJUFVZPPYEHPM-NUJGCVRESA-N 1 0 300.471 4.199 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1c(C)nn(C)c1C ZINC000611393163 1057595483 /nfs/dbraw/zinc/59/54/83/1057595483.db2.gz MBYJYWMMUJYKQF-MOPGFXCFSA-N 1 0 322.456 4.027 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc2ccccc2[nH]1 ZINC000611391943 1057595676 /nfs/dbraw/zinc/59/56/76/1057595676.db2.gz BMGKCYICXOBVNU-HXUWFJFHSA-N 1 0 301.393 4.207 20 30 DIEDRO C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Oc1cccc(F)c1 ZINC000611393618 1057596356 /nfs/dbraw/zinc/59/63/56/1057596356.db2.gz YFLNGPKHTWQETK-VBKZILBWSA-N 1 0 324.399 4.132 20 30 DIEDRO CCOCCC1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCC1 ZINC000611394580 1057596363 /nfs/dbraw/zinc/59/63/63/1057596363.db2.gz QSCZJSDCZJVLKB-LJQANCHMSA-N 1 0 312.457 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1COc2c1cccc2Cl ZINC000611394305 1057596504 /nfs/dbraw/zinc/59/65/04/1057596504.db2.gz BSVCKXIOQPHJSV-ROUUACIJSA-N 1 0 324.811 4.312 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000611395270 1057596620 /nfs/dbraw/zinc/59/66/20/1057596620.db2.gz ZNGXGZMWALMOSM-VQTJNVASSA-N 1 0 303.409 4.072 20 30 DIEDRO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000611433772 1057598938 /nfs/dbraw/zinc/59/89/38/1057598938.db2.gz SKFMNCNHEFMSJL-KRWDZBQOSA-N 1 0 324.428 4.057 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1Cl ZINC000611438692 1057600130 /nfs/dbraw/zinc/60/01/30/1057600130.db2.gz HACSIXWHWXHEOZ-SCLBCKFNSA-N 1 0 314.816 4.250 20 30 DIEDRO COc1ccc(C2([NH2+][C@@H]3CCCc4cc(C#N)ccc43)CC2)cc1 ZINC000611471709 1057601839 /nfs/dbraw/zinc/60/18/39/1057601839.db2.gz JBAQDAUEQWIOKA-HXUWFJFHSA-N 1 0 318.420 4.223 20 30 DIEDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000611477479 1057602978 /nfs/dbraw/zinc/60/29/78/1057602978.db2.gz RGQYWEWJWBGZLV-GGPKGHCWSA-N 1 0 312.457 4.119 20 30 DIEDRO CC(C)C([NH2+]Cc1ccc(C#N)cc1Br)C(C)C ZINC000611500941 1057604184 /nfs/dbraw/zinc/60/41/84/1057604184.db2.gz JQWNZXJCYSMQJF-UHFFFAOYSA-N 1 0 309.251 4.091 20 30 DIEDRO N#Cc1ccc(C[NH+]2C3CCCC2CCC3)c(Br)c1 ZINC000611500850 1057604249 /nfs/dbraw/zinc/60/42/49/1057604249.db2.gz IRHHTBRVTLUSNA-UHFFFAOYSA-N 1 0 319.246 4.228 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ncnc2ccc(C#N)cc21 ZINC001243334213 1057649998 /nfs/dbraw/zinc/64/99/98/1057649998.db2.gz ZHSVOKBFINAWDF-UHFFFAOYSA-N 1 0 316.408 4.010 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc2c(c1)CC/C2=N/O ZINC001243336629 1057650394 /nfs/dbraw/zinc/65/03/94/1057650394.db2.gz QAYQLJVECPAFRO-MRCUWXFGSA-N 1 0 308.425 4.320 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1cc(CC#N)ccc1OC ZINC001243337837 1057650939 /nfs/dbraw/zinc/65/09/39/1057650939.db2.gz GYRFORZKUMXDFG-UHFFFAOYSA-N 1 0 308.425 4.270 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(CC#N)c(C#N)c1 ZINC001243338487 1057651142 /nfs/dbraw/zinc/65/11/42/1057651142.db2.gz KDVJEJXOZRMWTA-UHFFFAOYSA-N 1 0 303.409 4.133 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(F)cc1OCC#N ZINC001243337493 1057651463 /nfs/dbraw/zinc/65/14/63/1057651463.db2.gz BOFOSNAARQLOKS-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2nc(C)cs2)c(O)c1 ZINC000727653003 1057663105 /nfs/dbraw/zinc/66/31/05/1057663105.db2.gz ABPFVBSOQQOADE-CCOVPTLTSA-N 1 0 317.458 4.183 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCc3ccccc32)ccc1OC ZINC000057960153 1057670908 /nfs/dbraw/zinc/67/09/08/1057670908.db2.gz TWUVWEXMAORMGO-LJQANCHMSA-N 1 0 323.436 4.427 20 30 DIEDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000727839081 1057676596 /nfs/dbraw/zinc/67/65/96/1057676596.db2.gz WTKNVZHCRGLAOZ-HXUWFJFHSA-N 1 0 321.468 4.147 20 30 DIEDRO N#CC1(c2ccc(-c3cc(N4CCCCC4)cc[nH+]3)cc2)CC1 ZINC001243418593 1057677872 /nfs/dbraw/zinc/67/78/72/1057677872.db2.gz BJVNTDFCGPGFEU-UHFFFAOYSA-N 1 0 303.409 4.294 20 30 DIEDRO N#CC1(c2ccc(-c3ccc([C@@H]4CCC[NH2+]C4)cc3)cc2)CC1 ZINC001243421899 1057679010 /nfs/dbraw/zinc/67/90/10/1057679010.db2.gz ARVAIASLDKQDNU-LJQANCHMSA-N 1 0 302.421 4.376 20 30 DIEDRO N#CC1(c2ccc(-c3ccccc3C3CC[NH2+]CC3)cc2)CC1 ZINC001243424138 1057679516 /nfs/dbraw/zinc/67/95/16/1057679516.db2.gz NTSFMKYXNQONOF-UHFFFAOYSA-N 1 0 302.421 4.376 20 30 DIEDRO N#CC1(c2ccc(-c3ccc([C@@H]4CCC[NH2+]4)c(F)c3)cc2)CC1 ZINC001243423374 1057679559 /nfs/dbraw/zinc/67/95/59/1057679559.db2.gz BJAVAFUEXQHXAA-IBGZPJMESA-N 1 0 306.384 4.472 20 30 DIEDRO C=CCN1CCC([NH2+]Cc2ccccc2-c2ccccc2)CC1 ZINC000730019733 1057701925 /nfs/dbraw/zinc/70/19/25/1057701925.db2.gz OHGIFHYYSYBZFH-UHFFFAOYSA-N 1 0 306.453 4.094 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000730109633 1057703348 /nfs/dbraw/zinc/70/33/48/1057703348.db2.gz UQRFGPAWKCSELN-YWZLYKJASA-N 1 0 306.409 4.063 20 30 DIEDRO CC[NH+](CC)Cc1ccc(C)c(-c2ccccc2OCC#N)c1 ZINC001243586454 1057724786 /nfs/dbraw/zinc/72/47/86/1057724786.db2.gz KQUJYLQLVVVNEL-UHFFFAOYSA-N 1 0 308.425 4.406 20 30 DIEDRO N#CCOc1ccc(-c2ccccc2C[NH+]2CCCCC2)cc1 ZINC001243590757 1057726152 /nfs/dbraw/zinc/72/61/52/1057726152.db2.gz LHJHJOLOODARHS-UHFFFAOYSA-N 1 0 306.409 4.242 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(OCC#N)cc2)ccc1OC ZINC001243591859 1057726725 /nfs/dbraw/zinc/72/67/25/1057726725.db2.gz ZRXLUFXAJXEWOO-UHFFFAOYSA-N 1 0 324.424 4.106 20 30 DIEDRO CC(C)C1=[NH+]CCc2ccc(-c3ccc(OCC#N)cc3)cc21 ZINC001243593152 1057726875 /nfs/dbraw/zinc/72/68/75/1057726875.db2.gz CTJVZSMEMXEFKU-UHFFFAOYSA-N 1 0 304.393 4.257 20 30 DIEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731211564 1057738150 /nfs/dbraw/zinc/73/81/50/1057738150.db2.gz ODVXNHGWOLEREW-CQSZACIVSA-N 1 0 314.816 4.435 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C1(C)CC1 ZINC000731360999 1057742604 /nfs/dbraw/zinc/74/26/04/1057742604.db2.gz UUGMQWSUKCTRIN-MRXNPFEDSA-N 1 0 320.436 4.415 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc(CC#N)c(C#N)c3)cc2)CC1 ZINC001243655323 1057744724 /nfs/dbraw/zinc/74/47/24/1057744724.db2.gz WRFBBXPLINLMMQ-UHFFFAOYSA-N 1 0 315.420 4.101 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(C)cc(CO)c2)cc1 ZINC001243704543 1057757694 /nfs/dbraw/zinc/75/76/94/1057757694.db2.gz OAKQESHFNULCNF-NRFANRHFSA-N 1 0 307.437 4.477 20 30 DIEDRO COc1ccc(C2=CC[C@H](C#N)CC2)c(C[NH+]2CCCCC2)c1 ZINC001243792860 1057780823 /nfs/dbraw/zinc/78/08/23/1057780823.db2.gz KOTLHVRTWBIEJN-INIZCTEOSA-N 1 0 310.441 4.388 20 30 DIEDRO COc1ccc(C[NH+]2CCCCC2)cc1C1=CC[C@H](C#N)CC1 ZINC001243796255 1057781498 /nfs/dbraw/zinc/78/14/98/1057781498.db2.gz SRWDRWYNFXKVPD-INIZCTEOSA-N 1 0 310.441 4.388 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(C3=CC[C@@H](C#N)CC3)c(C)c2)CC1 ZINC001243801484 1057782710 /nfs/dbraw/zinc/78/27/10/1057782710.db2.gz ZMEGUSQHQAEPFC-MRXNPFEDSA-N 1 0 307.441 4.206 20 30 DIEDRO C=CC[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)CC1CCCCC1 ZINC000732667217 1057782722 /nfs/dbraw/zinc/78/27/22/1057782722.db2.gz LFRIMGYVQDUUCU-GOSISDBHSA-N 1 0 309.400 4.067 20 30 DIEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000733310229 1057811865 /nfs/dbraw/zinc/81/18/65/1057811865.db2.gz AZBYAKNITDPGLD-FQEVSTJZSA-N 1 0 320.436 4.105 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000733325974 1057813038 /nfs/dbraw/zinc/81/30/38/1057813038.db2.gz BKUWOFHPBBLDFS-UHFFFAOYSA-N 1 0 301.389 4.142 20 30 DIEDRO C=C(Br)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613213 1057826913 /nfs/dbraw/zinc/82/69/13/1057826913.db2.gz FDIMYMMOBCGSNP-UHFFFAOYSA-N 1 0 310.235 4.045 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(O)cc2OC)cc1 ZINC001243985686 1057829357 /nfs/dbraw/zinc/82/93/57/1057829357.db2.gz FDMMJBPGARGUKY-LJQANCHMSA-N 1 0 309.409 4.391 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(-c2cccc(C3(C#N)CC3)c2)nc1 ZINC001244074111 1057859321 /nfs/dbraw/zinc/85/93/21/1057859321.db2.gz LNNDMVBWHYBAIQ-HXUWFJFHSA-N 1 0 317.436 4.461 20 30 DIEDRO N#CC1(c2cccc(-c3ccc([C@@H]4CCC[NH2+]C4)cc3)c2)CC1 ZINC001244076324 1057859680 /nfs/dbraw/zinc/85/96/80/1057859680.db2.gz OWYDKEYELQKOOO-LJQANCHMSA-N 1 0 302.421 4.376 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(C#N)cc2N)cc1 ZINC001244093924 1057866606 /nfs/dbraw/zinc/86/66/06/1057866606.db2.gz TXSHARCFHOIJPX-FQEVSTJZSA-N 1 0 303.409 4.130 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(N)c(C#N)c2)nc1 ZINC001244112762 1057873512 /nfs/dbraw/zinc/87/35/12/1057873512.db2.gz RMXZZDXICDNOKG-FQEVSTJZSA-N 1 0 320.440 4.139 20 30 DIEDRO Cc1cc2cc(-c3ccccc3C3(C#N)CC[NH2+]CC3)ccc2[nH]1 ZINC001244243728 1057908020 /nfs/dbraw/zinc/90/80/20/1057908020.db2.gz QIBQHZKFLVDYMX-UHFFFAOYSA-N 1 0 315.420 4.288 20 30 DIEDRO N#Cc1ccc(-c2cnccc2C[NH+]2CCCCC2)c(Cl)c1 ZINC001244331027 1057935404 /nfs/dbraw/zinc/93/54/04/1057935404.db2.gz HJQZNCPAPVJRRD-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO N#Cc1ccc(-c2ccc(C[NH+]3CCCCC3)cn2)c(Cl)c1 ZINC001244331215 1057935921 /nfs/dbraw/zinc/93/59/21/1057935921.db2.gz KEEDLBUWBICKSN-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cc(C#N)ccc2F)nc1 ZINC001244552354 1057993517 /nfs/dbraw/zinc/99/35/17/1057993517.db2.gz DLODPEMAOALOND-LJQANCHMSA-N 1 0 309.388 4.306 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3cc(C#N)ccc3F)c(C)c2)CC1 ZINC001244558286 1057995552 /nfs/dbraw/zinc/99/55/52/1057995552.db2.gz NKAQUDFZKDOLQJ-UHFFFAOYSA-N 1 0 321.399 4.177 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cccc(F)c2CO)cc1 ZINC001244563734 1057996140 /nfs/dbraw/zinc/99/61/40/1057996140.db2.gz UYMQFPFXHNSHOX-FQEVSTJZSA-N 1 0 311.400 4.308 20 30 DIEDRO COc1ccc(-c2cccc(C[NH+]3CCCCC3)c2)cc1C#N ZINC001244709377 1058032567 /nfs/dbraw/zinc/03/25/67/1058032567.db2.gz VJGAAJRIOHXXEU-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO COc1ccc(-c2ccc3c(c2)C(C(C)C)=[NH+]CC3)cc1C#N ZINC001244710716 1058033180 /nfs/dbraw/zinc/03/31/80/1058033180.db2.gz QNQLZNZDPCBOOZ-UHFFFAOYSA-N 1 0 304.393 4.235 20 30 DIEDRO Cc1c(C#N)cccc1-c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001244818566 1058052307 /nfs/dbraw/zinc/05/23/07/1058052307.db2.gz ZJKLGGHRRZPVKO-NHCUHLMSSA-N 1 0 320.436 4.320 20 30 DIEDRO CCc1cc(-c2cc(C[NH+]3CCCCC3)ccn2)ccc1C#N ZINC001244950687 1058079423 /nfs/dbraw/zinc/07/94/23/1058079423.db2.gz PQUPSZZZVNKWJW-UHFFFAOYSA-N 1 0 305.425 4.169 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc(C#N)c2F)nc1 ZINC001245069329 1058106780 /nfs/dbraw/zinc/10/67/80/1058106780.db2.gz QAEGJARCSFPWJG-CQSZACIVSA-N 1 0 309.388 4.134 20 30 DIEDRO N#Cc1cccc(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)c1F ZINC001245072943 1058107171 /nfs/dbraw/zinc/10/71/71/1058107171.db2.gz XEONHZOZOQJWQE-UHFFFAOYSA-N 1 0 316.326 4.238 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2cccc(C#N)c2F)cc1F ZINC001245072074 1058107278 /nfs/dbraw/zinc/10/72/78/1058107278.db2.gz AUOWOAGDRUWQMM-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2cccc(CCC#N)c2)cc1 ZINC001245337144 1058146458 /nfs/dbraw/zinc/14/64/58/1058146458.db2.gz XMLWXNRQXVWHEO-UHFFFAOYSA-N 1 0 308.425 4.140 20 30 DIEDRO Cc1ccc(-c2ccc(OCCC[NH+](C)C)cc2)c(C)c1C#N ZINC001245339221 1058146825 /nfs/dbraw/zinc/14/68/25/1058146825.db2.gz LOURHTPEOOQPTM-UHFFFAOYSA-N 1 0 308.425 4.173 20 30 DIEDRO C[C@H](C#N)c1ccc(-c2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC001245340696 1058146955 /nfs/dbraw/zinc/14/69/55/1058146955.db2.gz ZZHSLPCUNGXFFT-MRXNPFEDSA-N 1 0 308.425 4.311 20 30 DIEDRO N#Cc1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)nc1C(F)(F)F ZINC001245345112 1058148609 /nfs/dbraw/zinc/14/86/09/1058148609.db2.gz DQZARGKTEAPHTP-CQSZACIVSA-N 1 0 317.314 4.064 20 30 DIEDRO N#Cc1nc(-c2ccc([C@H]3CCC[NH2+]3)cc2)ccc1C(F)(F)F ZINC001245348098 1058149098 /nfs/dbraw/zinc/14/90/98/1058149098.db2.gz WEJSXVVUVZITRF-CQSZACIVSA-N 1 0 317.314 4.064 20 30 DIEDRO C[C@@H](C#N)c1ccc(-c2ccc(COC3CC[NH2+]CC3)cc2)cc1 ZINC001245408059 1058161487 /nfs/dbraw/zinc/16/14/87/1058161487.db2.gz PJILTNOZDGOHMV-INIZCTEOSA-N 1 0 320.436 4.249 20 30 DIEDRO C[C@H](C#N)c1ccc(-c2ccc(COC3CC[NH2+]CC3)cc2)cc1 ZINC001245408060 1058161522 /nfs/dbraw/zinc/16/15/22/1058161522.db2.gz PJILTNOZDGOHMV-MRXNPFEDSA-N 1 0 320.436 4.249 20 30 DIEDRO C=C(C)c1cncc(-c2ccc(COC3CC[NH2+]CC3)cc2)c1 ZINC001245410096 1058161982 /nfs/dbraw/zinc/16/19/82/1058161982.db2.gz OMCGPDTUUNHGKQ-UHFFFAOYSA-N 1 0 308.425 4.050 20 30 DIEDRO N#CC1(c2ccc(-c3ccc(C4CC[NH2+]CC4)cc3)nc2)CCC1 ZINC001245522806 1058197961 /nfs/dbraw/zinc/19/79/61/1058197961.db2.gz ACNOCJZNPJZBLC-UHFFFAOYSA-N 1 0 317.436 4.161 20 30 DIEDRO N#Cc1cnc2cc(-c3ccc(C4CC[NH2+]CC4)cc3)ccc2c1 ZINC001245527634 1058205012 /nfs/dbraw/zinc/20/50/12/1058205012.db2.gz WLKMPBYYFCIMTO-UHFFFAOYSA-N 1 0 313.404 4.240 20 30 DIEDRO Cc1ccc(C#N)c(-c2ccc(C[N@H+]3CCCC[C@H]3C)cn2)c1 ZINC001245601759 1058278964 /nfs/dbraw/zinc/27/89/64/1058278964.db2.gz YKXHPKMWKVMGDE-MRXNPFEDSA-N 1 0 305.425 4.303 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cc(C)ccc2C#N)nc1 ZINC001245602467 1058279766 /nfs/dbraw/zinc/27/97/66/1058279766.db2.gz BFWHBGJGGMFBRI-HXUWFJFHSA-N 1 0 305.425 4.476 20 30 DIEDRO C=C[C@H](OC(=O)c1ccc(C[NH+](CC)CC)o1)c1ccccc1 ZINC001528623055 1058469769 /nfs/dbraw/zinc/46/97/69/1058469769.db2.gz AUGZTCWLZXOVBO-KRWDZBQOSA-N 1 0 313.397 4.206 20 30 DIEDRO C=CCCCCCC[C@@H](O)CNc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001245965228 1058652839 /nfs/dbraw/zinc/65/28/39/1058652839.db2.gz DYKHSTGTDLEGDI-UYAOXDASSA-N 1 0 316.489 4.063 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]CCc1ccc(N)cc1 ZINC001246021964 1058656773 /nfs/dbraw/zinc/65/67/73/1058656773.db2.gz XWSIKPIIYSLCRM-FQEVSTJZSA-N 1 0 320.521 4.293 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1scnc1C ZINC001278435455 1058739515 /nfs/dbraw/zinc/73/95/15/1058739515.db2.gz PJTSSUJHNREFFT-IRXDYDNUSA-N 1 0 321.534 4.071 20 30 DIEDRO CCCCCCCCC(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001557679858 1058785580 /nfs/dbraw/zinc/78/55/80/1058785580.db2.gz WSRMCGCQRNPAPR-ROUUACIJSA-N 1 0 310.526 4.316 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCN[C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC001246312189 1058818989 /nfs/dbraw/zinc/81/89/89/1058818989.db2.gz BEHDSCWVNSEPTI-PWRODBHTSA-N 1 0 319.452 4.092 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316679 1058830983 /nfs/dbraw/zinc/83/09/83/1058830983.db2.gz JFYGCZGAEJXLDM-WNRNVDISSA-N 1 0 316.489 4.211 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCNC[C@H]1C(F)(F)F ZINC001246339279 1058845896 /nfs/dbraw/zinc/84/58/96/1058845896.db2.gz CXGVBZCXOKZOAH-RRFJBIMHSA-N 1 0 308.432 4.256 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+]C[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001246338233 1058850254 /nfs/dbraw/zinc/85/02/54/1058850254.db2.gz DKISRMKAMLFSBB-AABGKKOBSA-N 1 0 317.521 4.461 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3CNc4ccccc43)CC2)cc1 ZINC001246358239 1058869457 /nfs/dbraw/zinc/86/94/57/1058869457.db2.gz ZFIFWTLPAYUVPR-NGICGMGXSA-N 1 0 317.436 4.341 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001246423094 1058920025 /nfs/dbraw/zinc/92/00/25/1058920025.db2.gz XWJMFGOTINZMHG-GOSISDBHSA-N 1 0 317.521 4.085 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC001559124059 1059011348 /nfs/dbraw/zinc/01/13/48/1059011348.db2.gz VAQCGBCSIBCDAN-UHFFFAOYSA-N 1 0 315.436 4.215 20 30 DIEDRO CCCCCCC[C@H](C)N1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246654674 1059052824 /nfs/dbraw/zinc/05/28/24/1059052824.db2.gz NMRNKDLVNBYJEP-HNNXBMFYSA-N 1 0 302.453 4.199 20 30 DIEDRO C[C@@]1(CNc2cc(F)ccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001559180071 1059064360 /nfs/dbraw/zinc/06/43/60/1059064360.db2.gz SQUZGFKWNRYIBG-FQEVSTJZSA-N 1 0 323.415 4.021 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1C#N ZINC001559492499 1059269328 /nfs/dbraw/zinc/26/93/28/1059269328.db2.gz SIMMGVGSMYLFKN-UHFFFAOYSA-N 1 0 321.468 4.343 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(C)cc(C)nc1C ZINC001559493330 1059270082 /nfs/dbraw/zinc/27/00/82/1059270082.db2.gz YDTNHHJIQYVYKE-UHFFFAOYSA-N 1 0 310.441 4.204 20 30 DIEDRO C#CC[N@@H+](CCCOc1ccccc1C)[C@@H]1CCc2ccccc21 ZINC001559499066 1059281361 /nfs/dbraw/zinc/28/13/61/1059281361.db2.gz HMODVLTVECSHNG-OAQYLSRUSA-N 1 0 319.448 4.387 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC001559521983 1059319599 /nfs/dbraw/zinc/31/95/99/1059319599.db2.gz TWEQHSVVMBYHRY-KRWDZBQOSA-N 1 0 307.359 4.321 20 30 DIEDRO CC(C)C[C@@H](C)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC001559529883 1059331283 /nfs/dbraw/zinc/33/12/83/1059331283.db2.gz DATKKYJZTZMNRP-MRXNPFEDSA-N 1 0 300.446 4.084 20 30 DIEDRO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC001559538440 1059338824 /nfs/dbraw/zinc/33/88/24/1059338824.db2.gz YJXVOYAYNZOSTQ-CQSZACIVSA-N 1 0 305.418 4.196 20 30 DIEDRO C=C(CC)C[N@H+](CCc1ccc(OC)c(OC)c1)CC(C)C ZINC001559537223 1059340571 /nfs/dbraw/zinc/34/05/71/1059340571.db2.gz QBEYKAZIJPDTMV-UHFFFAOYSA-N 1 0 305.462 4.171 20 30 DIEDRO CCC[N@H+](CCc1ccc(C#N)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001559550792 1059358531 /nfs/dbraw/zinc/35/85/31/1059358531.db2.gz RKZFGFFHFKRVLQ-RBUKOAKNSA-N 1 0 314.473 4.016 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001559557654 1059368893 /nfs/dbraw/zinc/36/88/93/1059368893.db2.gz DWCBDVXDIPFRPD-SFHVURJKSA-N 1 0 315.432 4.304 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001559557653 1059370203 /nfs/dbraw/zinc/37/02/03/1059370203.db2.gz DWCBDVXDIPFRPD-GOSISDBHSA-N 1 0 315.432 4.304 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC001559555897 1059370544 /nfs/dbraw/zinc/37/05/44/1059370544.db2.gz NCLSTUSFZZEKHR-UHFFFAOYSA-N 1 0 312.816 4.096 20 30 DIEDRO CC(C)(C)C[N@H+](CCC#N)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001559554279 1059371621 /nfs/dbraw/zinc/37/16/21/1059371621.db2.gz YXBYOEFTCSGQHT-UHFFFAOYSA-N 1 0 322.493 4.150 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC001559558506 1059376140 /nfs/dbraw/zinc/37/61/40/1059376140.db2.gz XRKKVDIFYMZTLF-OAHLLOKOSA-N 1 0 308.400 4.434 20 30 DIEDRO C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001559578947 1059412517 /nfs/dbraw/zinc/41/25/17/1059412517.db2.gz XOBSDSVAOSFCKS-IBGZPJMESA-N 1 0 314.473 4.017 20 30 DIEDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCOc1ccccc1C#N ZINC001559596874 1059432822 /nfs/dbraw/zinc/43/28/22/1059432822.db2.gz SIKVLIKJWYUYOW-OAQYLSRUSA-N 1 0 320.436 4.192 20 30 DIEDRO CCC[NH+](CCC)[C@@H](C)c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001247417901 1059470705 /nfs/dbraw/zinc/47/07/05/1059470705.db2.gz TZCVSKWKWVBKRP-AWEZNQCLSA-N 1 0 312.417 4.100 20 30 DIEDRO Cc1cccc(C2([NH2+]CCOc3ccccc3C#N)CCCC2)c1 ZINC001559645465 1059472494 /nfs/dbraw/zinc/47/24/94/1059472494.db2.gz IPOPRGAGDSTWOV-UHFFFAOYSA-N 1 0 320.436 4.305 20 30 DIEDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)c1 ZINC001559648820 1059475402 /nfs/dbraw/zinc/47/54/02/1059475402.db2.gz QTUFKAQBLHMRQP-FQEVSTJZSA-N 1 0 320.436 4.391 20 30 DIEDRO CCCCCCC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001559667191 1059495770 /nfs/dbraw/zinc/49/57/70/1059495770.db2.gz NCOFIJVAYBLDHW-UHFFFAOYSA-N 1 0 304.478 4.178 20 30 DIEDRO CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC001559673989 1059499092 /nfs/dbraw/zinc/49/90/92/1059499092.db2.gz ANQPICNWEUEKGU-NHCUHLMSSA-N 1 0 305.421 4.249 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(C)c(F)c1 ZINC001559680879 1059510980 /nfs/dbraw/zinc/51/09/80/1059510980.db2.gz ONYKCBSGWSWAPE-LJQANCHMSA-N 1 0 312.388 4.277 20 30 DIEDRO CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC001559685129 1059513845 /nfs/dbraw/zinc/51/38/45/1059513845.db2.gz SZIPYUFKPYFKEL-HXUWFJFHSA-N 1 0 306.453 4.447 20 30 DIEDRO C#CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@H]1C ZINC001559688072 1059517111 /nfs/dbraw/zinc/51/71/11/1059517111.db2.gz GFFJTVCXCRBSJA-AEFFLSMTSA-N 1 0 315.457 4.108 20 30 DIEDRO CCCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001559691942 1059520711 /nfs/dbraw/zinc/52/07/11/1059520711.db2.gz VWFNVALEEJEMMP-JKSUJKDBSA-N 1 0 312.498 4.287 20 30 DIEDRO C=CC[N@H+](CCSc1cccc(OC)c1)CCc1ccco1 ZINC001559689784 1059521033 /nfs/dbraw/zinc/52/10/33/1059521033.db2.gz XDJIISLGHJRQBS-UHFFFAOYSA-N 1 0 317.454 4.111 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC001559694815 1059522578 /nfs/dbraw/zinc/52/25/78/1059522578.db2.gz JGNLXJAKFHFYKR-IBGZPJMESA-N 1 0 318.424 4.064 20 30 DIEDRO COc1ccc([C@H]([NH2+]CCc2ccc(C#N)cc2)C(C)C)cc1 ZINC001559708321 1059534560 /nfs/dbraw/zinc/53/45/60/1059534560.db2.gz PSFYNUNMWQXWJH-HXUWFJFHSA-N 1 0 308.425 4.096 20 30 DIEDRO Cc1cc(C)cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001559715243 1059542698 /nfs/dbraw/zinc/54/26/98/1059542698.db2.gz VHXJGBZLBBMEJY-UHFFFAOYSA-N 1 0 302.421 4.464 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCc1ccc(C#N)cc1)[C@H]2C ZINC001559739324 1059570592 /nfs/dbraw/zinc/57/05/92/1059570592.db2.gz OAIPLZVEOVWJEN-CVEARBPZSA-N 1 0 320.436 4.117 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1ccc(F)c(F)c1 ZINC001559767131 1059603910 /nfs/dbraw/zinc/60/39/10/1059603910.db2.gz SWRNEPBRMLOGLG-OALUTQOASA-N 1 0 317.379 4.214 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1)[C@H]1CCCO1 ZINC001559769704 1059606723 /nfs/dbraw/zinc/60/67/23/1059606723.db2.gz RQPBREGIDYVGRI-TYCQWZJGSA-N 1 0 321.420 4.310 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001559773480 1059610577 /nfs/dbraw/zinc/61/05/77/1059610577.db2.gz PHQCPGYBOMRUBW-CPUCHLNUSA-N 1 0 309.375 4.471 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCCC1(C)C ZINC001559796930 1059631466 /nfs/dbraw/zinc/63/14/66/1059631466.db2.gz BFQNNJUHUNCBSG-LJQANCHMSA-N 1 0 309.457 4.439 20 30 DIEDRO C=CC[C@H]1[N@H+](C[C@H](O)c2ccc(F)cc2C)CCCC1(C)C ZINC001559797260 1059633497 /nfs/dbraw/zinc/63/34/97/1059633497.db2.gz LNJLSVTZRWJGNB-ZWKOTPCHSA-N 1 0 305.437 4.234 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)CCCC1(C)C ZINC001559796951 1059633552 /nfs/dbraw/zinc/63/35/52/1059633552.db2.gz BTKMXCCVMGEQPF-IAGOWNOFSA-N 1 0 309.400 4.065 20 30 DIEDRO C=CC[C@@H]1[N@H+](CCC(=O)Nc2ccccc2C)CCCC1(C)C ZINC001559797073 1059633604 /nfs/dbraw/zinc/63/36/04/1059633604.db2.gz FYZNWEHJEULSTM-SFHVURJKSA-N 1 0 314.473 4.390 20 30 DIEDRO C=C(C)CN(Cc1ccccc1)C[C@H]1CCCC[N@H+]1C(C)C ZINC001559808012 1059644484 /nfs/dbraw/zinc/64/44/84/1059644484.db2.gz YJWARBSCYQMQBY-HXUWFJFHSA-N 1 0 300.490 4.328 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1COC2(CCCCC2)O1 ZINC001559807508 1059644544 /nfs/dbraw/zinc/64/45/44/1059644544.db2.gz GJRLGOTZGVKOTB-IBGZPJMESA-N 1 0 315.457 4.141 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC001559816537 1059652380 /nfs/dbraw/zinc/65/23/80/1059652380.db2.gz INSPHHXJKOMMHN-BHDDXSALSA-N 1 0 316.448 4.369 20 30 DIEDRO Clc1ccccc1C#CC[N@@H+]1CCCc2ccccc2CC1 ZINC001559841855 1059670029 /nfs/dbraw/zinc/67/00/29/1059670029.db2.gz WKGKFIYUYRBSQW-UHFFFAOYSA-N 1 0 309.840 4.182 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC001559868403 1059689188 /nfs/dbraw/zinc/68/91/88/1059689188.db2.gz QLTCIQBDIANPGY-QINHECLXSA-N 1 0 320.436 4.333 20 30 DIEDRO C=CCOCC[N@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001559869758 1059689961 /nfs/dbraw/zinc/68/99/61/1059689961.db2.gz DCWZKCIATSUAHV-QGZVFWFLSA-N 1 0 307.865 4.330 20 30 DIEDRO CCCCCCCC[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001559873405 1059692339 /nfs/dbraw/zinc/69/23/39/1059692339.db2.gz QLMVUWRPTJXXMN-RBUKOAKNSA-N 1 0 307.453 4.147 20 30 DIEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559879677 1059698423 /nfs/dbraw/zinc/69/84/23/1059698423.db2.gz OTARGGYTCHLLAH-CJNGLKHVSA-N 1 0 315.417 4.113 20 30 DIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CCC1 ZINC001559900668 1059718339 /nfs/dbraw/zinc/71/83/39/1059718339.db2.gz UMEUZTCDLZGFME-HNNXBMFYSA-N 1 0 308.372 4.218 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC001559907374 1059722596 /nfs/dbraw/zinc/72/25/96/1059722596.db2.gz FMKRDKONKAMTLZ-GOSISDBHSA-N 1 0 308.510 4.214 20 30 DIEDRO C[N@H+](CCCOc1cccc(C#N)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001559921853 1059735877 /nfs/dbraw/zinc/73/58/77/1059735877.db2.gz UJYMVXIFZUCZTN-MOPGFXCFSA-N 1 0 314.473 4.474 20 30 DIEDRO C=CCCCC[N@H+]1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC001559962495 1059768445 /nfs/dbraw/zinc/76/84/45/1059768445.db2.gz QLEYVEVWEYBSIF-IPMKNSEASA-N 1 0 300.490 4.326 20 30 DIEDRO CCCCCCCc1ccc(-c2noc([C@H]3C[C@H]([NH3+])C3)n2)cc1 ZINC001248315514 1059778712 /nfs/dbraw/zinc/77/87/12/1059778712.db2.gz ZSVCSKAUTIGAFI-QAQDUYKDSA-N 1 0 313.445 4.454 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001559983060 1059789176 /nfs/dbraw/zinc/78/91/76/1059789176.db2.gz FPXCQRXIJFNHTN-IRXDYDNUSA-N 1 0 322.452 4.455 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC001559993251 1059797245 /nfs/dbraw/zinc/79/72/45/1059797245.db2.gz SUQBTLUXTQXWFL-CXAGYDPISA-N 1 0 322.399 4.018 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001559992481 1059797297 /nfs/dbraw/zinc/79/72/97/1059797297.db2.gz AWOACEGISKXSAB-LRDDRELGSA-N 1 0 308.809 4.473 20 30 DIEDRO C=CCC1([NH2+]CC(=O)N(C2CC2)C2CCC(C)CC2)CCCC1 ZINC001560001632 1059808176 /nfs/dbraw/zinc/80/81/76/1059808176.db2.gz DVNPUZCNYCPSIE-UHFFFAOYSA-N 1 0 318.505 4.035 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c(OC(F)F)c1 ZINC001560012221 1059819575 /nfs/dbraw/zinc/81/95/75/1059819575.db2.gz SWXBCIXVZXEYOC-OAHLLOKOSA-N 1 0 320.383 4.172 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC001560017374 1059824117 /nfs/dbraw/zinc/82/41/17/1059824117.db2.gz HSEIVFBJEJZJDB-HDICACEKSA-N 1 0 313.832 4.209 20 30 DIEDRO Cc1cccc2[nH]c(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)cc21 ZINC001248425147 1059825542 /nfs/dbraw/zinc/82/55/42/1059825542.db2.gz MNZXPCWSCKTBHA-UHFFFAOYSA-N 1 0 322.437 4.141 20 30 DIEDRO CC[N@H+](CCOc1ccccc1OC)[C@@H](C)c1cccc(C#N)c1 ZINC001560031297 1059845364 /nfs/dbraw/zinc/84/53/64/1059845364.db2.gz UVVJCSAJWXAUSR-INIZCTEOSA-N 1 0 324.424 4.029 20 30 DIEDRO C#CCCCCCC[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC001560042510 1059856488 /nfs/dbraw/zinc/85/64/88/1059856488.db2.gz QIFYOUHMCSWJEP-KRWDZBQOSA-N 1 0 303.421 4.207 20 30 DIEDRO C[C@@H](C[N@H+](C)CCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC001560057754 1059866619 /nfs/dbraw/zinc/86/66/19/1059866619.db2.gz BYZZLYVQMMGQIB-KRWDZBQOSA-N 1 0 314.473 4.475 20 30 DIEDRO CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001560054129 1059868566 /nfs/dbraw/zinc/86/85/66/1059868566.db2.gz SSBAGVIPMPCYOE-IYBDPMFKSA-N 1 0 310.482 4.041 20 30 DIEDRO C[C@H](C[N@H+](C)CCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC001560057755 1059869860 /nfs/dbraw/zinc/86/98/60/1059869860.db2.gz BYZZLYVQMMGQIB-QGZVFWFLSA-N 1 0 314.473 4.475 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)ccc1N1CCCCC1 ZINC001560060166 1059873814 /nfs/dbraw/zinc/87/38/14/1059873814.db2.gz GYMFAAUDPBODSR-UYAOXDASSA-N 1 0 311.473 4.109 20 30 DIEDRO CCC[N@@H+](Cc1ccc(OC)cc1)CC1CCC(C#N)CC1 ZINC001560066925 1059876352 /nfs/dbraw/zinc/87/63/52/1059876352.db2.gz MFBUYBUJKZYIJW-UHFFFAOYSA-N 1 0 300.446 4.237 20 30 DIEDRO C[N@H+](Cc1ccccc1OCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001560064012 1059877522 /nfs/dbraw/zinc/87/75/22/1059877522.db2.gz RCSPJDQGQOVWJS-UYAOXDASSA-N 1 0 320.436 4.390 20 30 DIEDRO Cc1ccc2c(C[N@H+](C)Cc3ccc(C#N)cc3)cccc2n1 ZINC001248565878 1059889326 /nfs/dbraw/zinc/88/93/26/1059889326.db2.gz XDCFADAXIWECJS-UHFFFAOYSA-N 1 0 301.393 4.047 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1cc2cnccc2o1 ZINC001560093612 1059901370 /nfs/dbraw/zinc/90/13/70/1059901370.db2.gz FEOGPNGYAIIWDH-ZDUSSCGKSA-N 1 0 310.784 4.184 20 30 DIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cc(Cl)cc(Cl)c1F ZINC001560129020 1059929776 /nfs/dbraw/zinc/92/97/76/1059929776.db2.gz VUOHHQOXWFOXJR-VIFPVBQESA-N 1 0 301.192 4.477 20 30 DIEDRO CCc1cc(C#N)ccc1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001248751953 1059963891 /nfs/dbraw/zinc/96/38/91/1059963891.db2.gz QJZAWWWVAYWTJK-GOSISDBHSA-N 1 0 300.421 4.225 20 30 DIEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001248752431 1059965155 /nfs/dbraw/zinc/96/51/55/1059965155.db2.gz LHLONZOGKWKQGH-UHFFFAOYSA-N 1 0 320.436 4.206 20 30 DIEDRO CCc1cc(C#N)ccc1C[N@H+](C)Cc1cccc2cccnc21 ZINC001248751261 1059966217 /nfs/dbraw/zinc/96/62/17/1059966217.db2.gz PRWLRPMPWRSGQK-UHFFFAOYSA-N 1 0 315.420 4.301 20 30 DIEDRO C#CC[N@@H+](C[C@H](OC)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001560171666 1059968632 /nfs/dbraw/zinc/96/86/32/1059968632.db2.gz BGRNFKSAXKZSCM-VXKWHMMOSA-N 1 0 319.448 4.387 20 30 DIEDRO N#Cc1ccc([C@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)cc1 ZINC001560182001 1059971580 /nfs/dbraw/zinc/97/15/80/1059971580.db2.gz BKDAHDCRQUVYFN-NHCUHLMSSA-N 1 0 318.420 4.009 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001560188199 1059976024 /nfs/dbraw/zinc/97/60/24/1059976024.db2.gz JYONSFAFOWWDFN-XADARROHSA-N 1 0 318.420 4.245 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001560200059 1059982143 /nfs/dbraw/zinc/98/21/43/1059982143.db2.gz LFHCGRYOAPJNKY-HOTGVXAUSA-N 1 0 313.363 4.169 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001560206262 1059986392 /nfs/dbraw/zinc/98/63/92/1059986392.db2.gz UJRDPUVKVZURGZ-QGZVFWFLSA-N 1 0 322.493 4.064 20 30 DIEDRO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC001560216949 1059993633 /nfs/dbraw/zinc/99/36/33/1059993633.db2.gz DGWKZNNUMAFKGN-RBUKOAKNSA-N 1 0 317.521 4.045 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001525703311 1059996429 /nfs/dbraw/zinc/99/64/29/1059996429.db2.gz SXKINYVPIZNDPI-GBESFXJTSA-N 1 0 322.537 4.458 20 30 DIEDRO C=C(CC)C[N@@H+]1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001560226237 1060001013 /nfs/dbraw/zinc/00/10/13/1060001013.db2.gz NNCKRIUXTUSPKX-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001560271782 1060046049 /nfs/dbraw/zinc/04/60/49/1060046049.db2.gz CLARHGAZEMLLGG-GJZGRUSLSA-N 1 0 313.363 4.462 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC001525866755 1060059216 /nfs/dbraw/zinc/05/92/16/1060059216.db2.gz SOMHEBARUDJGGB-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001560337350 1060122963 /nfs/dbraw/zinc/12/29/63/1060122963.db2.gz CLSXRPWMHSXNHE-FQEVSTJZSA-N 1 0 307.437 4.289 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cccc2ncccc12 ZINC001560337495 1060123319 /nfs/dbraw/zinc/12/33/19/1060123319.db2.gz KMODGOAVRBHLTB-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccccc1Br)c1ccncc1 ZINC001560339085 1060125055 /nfs/dbraw/zinc/12/50/55/1060125055.db2.gz ZHQKRGABNVXYRL-INIZCTEOSA-N 1 0 317.230 4.251 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccccc2OCC2CC2)c1 ZINC001560345896 1060133284 /nfs/dbraw/zinc/13/32/84/1060133284.db2.gz BAVJSBSHVAUZDS-UHFFFAOYSA-N 1 0 323.436 4.330 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)Cc2cc(C)cc(C)c2)cc1 ZINC001560356796 1060143113 /nfs/dbraw/zinc/14/31/13/1060143113.db2.gz WPABSDRFUVPQTQ-LJQANCHMSA-N 1 0 321.464 4.426 20 30 DIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249113848 1060163915 /nfs/dbraw/zinc/16/39/15/1060163915.db2.gz PKMKYSQBJMFCDK-CYBMUJFWSA-N 1 0 324.815 4.052 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249113849 1060164182 /nfs/dbraw/zinc/16/41/82/1060164182.db2.gz PKMKYSQBJMFCDK-ZDUSSCGKSA-N 1 0 324.815 4.052 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC001560394578 1060180736 /nfs/dbraw/zinc/18/07/36/1060180736.db2.gz DXYPIQDBLSNGLH-AWEZNQCLSA-N 1 0 313.397 4.160 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)CCC2 ZINC001560404895 1060189401 /nfs/dbraw/zinc/18/94/01/1060189401.db2.gz NKECHSKTVVGUIC-FQEVSTJZSA-N 1 0 306.409 4.043 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCNc2cccc(Br)c2)C1 ZINC001560416282 1060199975 /nfs/dbraw/zinc/19/99/75/1060199975.db2.gz OZGGTZKUDKEUSS-XJKSGUPXSA-N 1 0 323.278 4.195 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC001560414860 1060199995 /nfs/dbraw/zinc/19/99/95/1060199995.db2.gz OCZVYUMXBACGQP-LPHOPBHVSA-N 1 0 303.446 4.079 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001560418063 1060202847 /nfs/dbraw/zinc/20/28/47/1060202847.db2.gz SLDPQKBYGWUWBX-IUODEOHRSA-N 1 0 308.809 4.125 20 30 DIEDRO Cc1cc(C[NH2+]C[C@]2(C)CCCc3ccccc32)ccc1C#N ZINC001560427041 1060212554 /nfs/dbraw/zinc/21/25/54/1060212554.db2.gz LUXQKNKNDRZBIV-NRFANRHFSA-N 1 0 304.437 4.251 20 30 DIEDRO C=CCCOCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC001560429705 1060215466 /nfs/dbraw/zinc/21/54/66/1060215466.db2.gz ZILNRKNYLVCUQF-UHFFFAOYSA-N 1 0 323.864 4.344 20 30 DIEDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426275 1060246146 /nfs/dbraw/zinc/24/61/46/1060246146.db2.gz KWLRUFARDLPNLT-CQSZACIVSA-N 1 0 301.393 4.159 20 30 DIEDRO CC[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccc(C)cc1 ZINC001249430431 1060247372 /nfs/dbraw/zinc/24/73/72/1060247372.db2.gz RFIMUNBXCDCFPN-UHFFFAOYSA-N 1 0 303.409 4.370 20 30 DIEDRO N#Cc1ccc2cc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)[nH]c2c1 ZINC001249429108 1060248774 /nfs/dbraw/zinc/24/87/74/1060248774.db2.gz NSIQUMCDZPCGKC-SFHVURJKSA-N 1 0 315.420 4.104 20 30 DIEDRO N#Cc1ccc2cc(C[NH+]3CCC(c4ccccc4)CC3)[nH]c2c1 ZINC001249426773 1060248886 /nfs/dbraw/zinc/24/88/86/1060248886.db2.gz GUFGXUVTMGJOLZ-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO CCCCCCC[N@H+](CC)Cc1cnc(Br)cn1 ZINC001249492135 1060260801 /nfs/dbraw/zinc/26/08/01/1060260801.db2.gz MMMZNOKIHZTQTM-UHFFFAOYSA-N 1 0 314.271 4.031 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(OC)cc3c2O[C@@H](C)C3)CCCC1 ZINC001560471380 1060261390 /nfs/dbraw/zinc/26/13/90/1060261390.db2.gz NYWIFEHSONZCTE-HNNXBMFYSA-N 1 0 315.457 4.245 20 30 DIEDRO C=C(C)C[NH2+]Cc1ccccc1OCc1ccc(F)cc1F ZINC001560470479 1060261633 /nfs/dbraw/zinc/26/16/33/1060261633.db2.gz ZIBPTTCGYVONMQ-UHFFFAOYSA-N 1 0 303.352 4.210 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2cc3cccc(CC)c3o2)cc1 ZINC001560477871 1060267196 /nfs/dbraw/zinc/26/71/96/1060267196.db2.gz ZNLGWVDBAYEQTK-UHFFFAOYSA-N 1 0 319.404 4.297 20 30 DIEDRO C=CC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C(C)(C)C ZINC001249519474 1060273333 /nfs/dbraw/zinc/27/33/33/1060273333.db2.gz HBJKPTAXHKLPKS-UHFFFAOYSA-N 1 0 322.250 4.112 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)C(C)(C)C)cc1OC ZINC001560484439 1060274984 /nfs/dbraw/zinc/27/49/84/1060274984.db2.gz KXKSNDCCSWGQQK-UHFFFAOYSA-N 1 0 305.462 4.422 20 30 DIEDRO CC1(C)CCC[C@H]1C[NH2+]Cc1cc(C#N)ccc1Br ZINC001560483253 1060275898 /nfs/dbraw/zinc/27/58/98/1060275898.db2.gz SFCHXISIZVUCGB-AWEZNQCLSA-N 1 0 321.262 4.237 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCCC2CCOCC2)cc1Cl ZINC001560485736 1060276740 /nfs/dbraw/zinc/27/67/40/1060276740.db2.gz FEXJEAVFMYCLSI-UHFFFAOYSA-N 1 0 323.864 4.201 20 30 DIEDRO N#Cc1csc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)c1 ZINC001560496734 1060292665 /nfs/dbraw/zinc/29/26/65/1060292665.db2.gz GVFCISGKUMPEBL-UHFFFAOYSA-N 1 0 322.437 4.308 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC001560503054 1060298061 /nfs/dbraw/zinc/29/80/61/1060298061.db2.gz YTPSJBCTHOQRGF-NRFANRHFSA-N 1 0 320.480 4.432 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001560510150 1060306211 /nfs/dbraw/zinc/30/62/11/1060306211.db2.gz HGZOGRBTNXGCTM-JKSUJKDBSA-N 1 0 317.860 4.410 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2ncccc12 ZINC001560509215 1060307728 /nfs/dbraw/zinc/30/77/28/1060307728.db2.gz UTQVBXPBUOPQRP-OAQYLSRUSA-N 1 0 313.404 4.274 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC001560511165 1060308712 /nfs/dbraw/zinc/30/87/12/1060308712.db2.gz BIKMRRGXHDQFKZ-QXSJWSMHSA-N 1 0 322.493 4.013 20 30 DIEDRO C=CCCSCC[NH2+]Cc1c(C)cc(C)c(COC)c1C ZINC001560526415 1060326406 /nfs/dbraw/zinc/32/64/06/1060326406.db2.gz PKDNEVBNNTUYKY-UHFFFAOYSA-N 1 0 307.503 4.157 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC001560531067 1060331387 /nfs/dbraw/zinc/33/13/87/1060331387.db2.gz TWMJGWWHIKBYHQ-ROUUACIJSA-N 1 0 315.457 4.463 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(OC)c(OC)c2)CCCC1 ZINC001560531466 1060334412 /nfs/dbraw/zinc/33/44/12/1060334412.db2.gz BOHVXCVDEHGYLS-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC001560531808 1060335720 /nfs/dbraw/zinc/33/57/20/1060335720.db2.gz OPQUABNSJBGEOU-UHFFFAOYSA-N 1 0 302.377 4.151 20 30 DIEDRO CC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC001560533718 1060338305 /nfs/dbraw/zinc/33/83/05/1060338305.db2.gz WDXHHFOAILWSRJ-IBGZPJMESA-N 1 0 308.425 4.068 20 30 DIEDRO CC1(C)CC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC001560539812 1060345779 /nfs/dbraw/zinc/34/57/79/1060345779.db2.gz QHOSEWKDIYJKIA-UHFFFAOYSA-N 1 0 320.436 4.415 20 30 DIEDRO CC(C)Cc1ccccc1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC001560541145 1060347700 /nfs/dbraw/zinc/34/77/00/1060347700.db2.gz MQNQSSCCBBUOLU-UHFFFAOYSA-N 1 0 321.468 4.113 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001560542550 1060349520 /nfs/dbraw/zinc/34/95/20/1060349520.db2.gz JRNUSMJTLRRJOV-UHFFFAOYSA-N 1 0 301.352 4.462 20 30 DIEDRO CC1(c2ccccc2)CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC001249694146 1060353173 /nfs/dbraw/zinc/35/31/73/1060353173.db2.gz YTJMVHNDOJPTMU-UHFFFAOYSA-N 1 0 308.400 4.251 20 30 DIEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC001560549899 1060362195 /nfs/dbraw/zinc/36/21/95/1060362195.db2.gz UDSZBQLWZAZMSL-INIZCTEOSA-N 1 0 317.429 4.072 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC001560554182 1060364056 /nfs/dbraw/zinc/36/40/56/1060364056.db2.gz LUKJJMPPZURVBL-UHFFFAOYSA-N 1 0 311.429 4.351 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001534765237 1060364212 /nfs/dbraw/zinc/36/42/12/1060364212.db2.gz HVFLXZVGILMYLO-FHWLQOOXSA-N 1 0 322.537 4.316 20 30 DIEDRO C#CC1([NH2+]Cc2cc(Cl)c(OCCC)c(OC)c2)CCCC1 ZINC001560569133 1060380707 /nfs/dbraw/zinc/38/07/07/1060380707.db2.gz KVBDTQGHDJZKDC-UHFFFAOYSA-N 1 0 321.848 4.173 20 30 DIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001560569824 1060380811 /nfs/dbraw/zinc/38/08/11/1060380811.db2.gz KEMMDIAXEXIPPD-QGZVFWFLSA-N 1 0 315.388 4.035 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1ccnc(OC)c1F)c1ccccc1 ZINC001560572600 1060383732 /nfs/dbraw/zinc/38/37/32/1060383732.db2.gz UCFXJYHFEXWZGD-KRWDZBQOSA-N 1 0 314.404 4.417 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)ccc1C#N ZINC001560676216 1060509094 /nfs/dbraw/zinc/50/90/94/1060509094.db2.gz VHGCXFGOYGVBDE-NRFANRHFSA-N 1 0 304.437 4.420 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)ccc1C#N ZINC001560676217 1060513660 /nfs/dbraw/zinc/51/36/60/1060513660.db2.gz VHGCXFGOYGVBDE-OAQYLSRUSA-N 1 0 304.437 4.420 20 30 DIEDRO C#CC[N@@H+](Cc1cc(F)cc(OCC)c1)[C@H]1CCc2ccccc21 ZINC001560701429 1060556585 /nfs/dbraw/zinc/55/65/85/1060556585.db2.gz MUNGHJYEYGPEIW-NRFANRHFSA-N 1 0 323.411 4.347 20 30 DIEDRO C#CC[N@H+](Cc1cccc2c1CCC2)[C@H]1CCc2ccccc21 ZINC001560701490 1060557328 /nfs/dbraw/zinc/55/73/28/1060557328.db2.gz NNYPPFBKZYGWTP-QFIPXVFZSA-N 1 0 301.433 4.298 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001560714242 1060571549 /nfs/dbraw/zinc/57/15/49/1060571549.db2.gz BCFMBYKZLQIFLN-CYBMUJFWSA-N 1 0 309.837 4.145 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001560742135 1060608892 /nfs/dbraw/zinc/60/88/92/1060608892.db2.gz SXGUHYBFPBKWLM-DLBZAZTESA-N 1 0 306.494 4.035 20 30 DIEDRO C=CCCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001560773412 1060637022 /nfs/dbraw/zinc/63/70/22/1060637022.db2.gz ZIAYPLMIAUJTCB-RDJZCZTQSA-N 1 0 302.418 4.252 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001560795095 1060656340 /nfs/dbraw/zinc/65/63/40/1060656340.db2.gz MAEHIHDJDSWENJ-YESZJQIVSA-N 1 0 322.493 4.063 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](SC)C1)c1ccc(Cl)cc1F ZINC001560825793 1060684428 /nfs/dbraw/zinc/68/44/28/1060684428.db2.gz XRALPTPHFAVSAY-XEZPLFJOSA-N 1 0 311.853 4.417 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](OCC)C1)c1ccc(Cl)cc1F ZINC001560825259 1060684442 /nfs/dbraw/zinc/68/44/42/1060684442.db2.gz GVWOLHBVCVTMQW-KEYYUXOJSA-N 1 0 309.812 4.091 20 30 DIEDRO C=CCC1(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001560831653 1060689082 /nfs/dbraw/zinc/68/90/82/1060689082.db2.gz RTLLSVWFOKHHOY-MRXNPFEDSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001560837623 1060695265 /nfs/dbraw/zinc/69/52/65/1060695265.db2.gz XGYJQDCCGYOCMK-GOEBONIOSA-N 1 0 302.418 4.108 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC001560841883 1060697275 /nfs/dbraw/zinc/69/72/75/1060697275.db2.gz FVJQBXPDKUMDMM-BRWVUGGUSA-N 1 0 322.493 4.110 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001560849093 1060704750 /nfs/dbraw/zinc/70/47/50/1060704750.db2.gz PFFFQWMMQRLXJB-XJKSGUPXSA-N 1 0 308.878 4.446 20 30 DIEDRO COc1cc(C[N@@H+]2Cc3cccc(C)c3CC2(C)C)ccc1C#N ZINC001560847757 1060704981 /nfs/dbraw/zinc/70/49/81/1060704981.db2.gz VAMKXVWQOHTMMN-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](c1ccc(SC)cc1)N(C)C ZINC001560850100 1060708172 /nfs/dbraw/zinc/70/81/72/1060708172.db2.gz HLLGRRRZWWHDBL-AEFFLSMTSA-N 1 0 306.519 4.346 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](c1ccc(SC)cc1)N(C)C ZINC001560850102 1060708946 /nfs/dbraw/zinc/70/89/46/1060708946.db2.gz HLLGRRRZWWHDBL-SJLPKXTDSA-N 1 0 306.519 4.346 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cc2cc(Br)ccc2o1)C(C)(C)C ZINC001560863590 1060723051 /nfs/dbraw/zinc/72/30/51/1060723051.db2.gz XNHPZDKLGQLBEU-HNNXBMFYSA-N 1 0 320.230 4.333 20 30 DIEDRO C#C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001560865404 1060724568 /nfs/dbraw/zinc/72/45/68/1060724568.db2.gz YMSIRFZHPNYRQH-XJDXJNMNSA-N 1 0 324.855 4.383 20 30 DIEDRO C#C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC001560865402 1060725606 /nfs/dbraw/zinc/72/56/06/1060725606.db2.gz YMSIRFZHPNYRQH-PRPIBZDOSA-N 1 0 324.855 4.383 20 30 DIEDRO N#Cc1cc(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)cs1 ZINC001560879623 1060740757 /nfs/dbraw/zinc/74/07/57/1060740757.db2.gz GTZQNMXOCDCDHC-BXUZGUMPSA-N 1 0 306.793 4.058 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)ccc1C(F)(F)F ZINC001560886430 1060748004 /nfs/dbraw/zinc/74/80/04/1060748004.db2.gz BWRZABYXLSWSTL-UHFFFAOYSA-N 1 0 322.305 4.314 20 30 DIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(C)CCC(C)(C)CC1 ZINC001560888361 1060751112 /nfs/dbraw/zinc/75/11/12/1060751112.db2.gz ALOWVYCWAUGHCA-MRXNPFEDSA-N 1 0 306.494 4.281 20 30 DIEDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1CC#Cc1ccccc1 ZINC001560901382 1060764044 /nfs/dbraw/zinc/76/40/44/1060764044.db2.gz RGWOEKMIFHVYJG-OAQYLSRUSA-N 1 0 307.412 4.274 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC001560902654 1060764670 /nfs/dbraw/zinc/76/46/70/1060764670.db2.gz GVSUXLBKIUQEBC-JYJNAYRXSA-N 1 0 312.498 4.403 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001560902653 1060765325 /nfs/dbraw/zinc/76/53/25/1060765325.db2.gz GVSUXLBKIUQEBC-HRCADAONSA-N 1 0 312.498 4.403 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001560906116 1060768564 /nfs/dbraw/zinc/76/85/64/1060768564.db2.gz CGTPVZOFQHCKOX-LVQVYYBASA-N 1 0 309.494 4.323 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CC(C#N)(c3ccccc3)C1)CC2 ZINC001560913957 1060774263 /nfs/dbraw/zinc/77/42/63/1060774263.db2.gz VJOPTNKZFAXPST-CKHPTIKVSA-N 1 0 302.421 4.196 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC001560916916 1060779541 /nfs/dbraw/zinc/77/95/41/1060779541.db2.gz YSOYRQJWQRWXLU-ARFHVFGLSA-N 1 0 322.493 4.157 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC001560928703 1060792675 /nfs/dbraw/zinc/79/26/75/1060792675.db2.gz ZTVOHRVVOAJJDB-RTWAWAEBSA-N 1 0 304.437 4.201 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC001560936352 1060798608 /nfs/dbraw/zinc/79/86/08/1060798608.db2.gz XFWZFFGCPDBJIC-WDSOQIARSA-N 1 0 303.494 4.246 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001560947846 1060812854 /nfs/dbraw/zinc/81/28/54/1060812854.db2.gz JHOBHPVTCFGUKI-LBPRGKRZSA-N 1 0 320.408 4.486 20 30 DIEDRO C#Cc1ccc(CN2CCc3c(cccc3C(F)(F)F)C2)cc1 ZINC001560961037 1060824606 /nfs/dbraw/zinc/82/46/06/1060824606.db2.gz KBLMTQZTHXTXCS-UHFFFAOYSA-N 1 0 315.338 4.245 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001560970722 1060834542 /nfs/dbraw/zinc/83/45/42/1060834542.db2.gz GVMWUSFLTYAHLG-HRCADAONSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC001560996940 1060855939 /nfs/dbraw/zinc/85/59/39/1060855939.db2.gz GJPLPRLILKQJOJ-UHFFFAOYSA-N 1 0 323.790 4.174 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001560997279 1060856138 /nfs/dbraw/zinc/85/61/38/1060856138.db2.gz PODPDUIYBDHVQU-HZPDHXFCSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC001560997387 1060856491 /nfs/dbraw/zinc/85/64/91/1060856491.db2.gz SFFNLWMKLPJQKY-INIZCTEOSA-N 1 0 302.462 4.294 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001560999423 1060858026 /nfs/dbraw/zinc/85/80/26/1060858026.db2.gz UXZJIZQWNWBBQP-NXOAAHMSSA-N 1 0 322.493 4.109 20 30 DIEDRO N#Cc1cccc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001250582423 1060918002 /nfs/dbraw/zinc/91/80/02/1060918002.db2.gz VWDNZOYUWSRKPW-UHFFFAOYSA-N 1 0 306.409 4.090 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)OC)CC1 ZINC001462122942 1060943670 /nfs/dbraw/zinc/94/36/70/1060943670.db2.gz XAVQMQAYXWHNBE-HOTGVXAUSA-N 1 0 312.498 4.192 20 30 DIEDRO C=CCCCC[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC001462128779 1060948882 /nfs/dbraw/zinc/94/88/82/1060948882.db2.gz VDIMBDXJERYLNW-KZNAEPCWSA-N 1 0 305.487 4.271 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC001473195127 1060955101 /nfs/dbraw/zinc/95/51/01/1060955101.db2.gz RYWUFCMXKWPUFK-KSSFIOAISA-N 1 0 324.424 4.442 20 30 DIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001473200959 1060964240 /nfs/dbraw/zinc/96/42/40/1060964240.db2.gz MBSCADSXRKRRPZ-QGZVFWFLSA-N 1 0 322.452 4.247 20 30 DIEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473215645 1060984875 /nfs/dbraw/zinc/98/48/75/1060984875.db2.gz KXWYPAHOFPBCHK-QAPCUYQASA-N 1 0 308.400 4.150 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC001473216732 1060990845 /nfs/dbraw/zinc/99/08/45/1060990845.db2.gz YWNRMEQAFJPKBF-QFBILLFUSA-N 1 0 320.436 4.020 20 30 DIEDRO C=C(Br)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC001473230429 1061008975 /nfs/dbraw/zinc/00/89/75/1061008975.db2.gz GXWLZDCSXLRBKP-CYBMUJFWSA-N 1 0 300.215 4.411 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC001462194788 1061017520 /nfs/dbraw/zinc/01/75/20/1061017520.db2.gz YGKQDKAWEYBJII-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1(CC)CC ZINC001473242666 1061017867 /nfs/dbraw/zinc/01/78/67/1061017867.db2.gz DOAWNIUYJKZOLP-ROUUACIJSA-N 1 0 318.436 4.113 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1(CC)CC ZINC001473242664 1061018362 /nfs/dbraw/zinc/01/83/62/1061018362.db2.gz DOAWNIUYJKZOLP-QZTJIDSGSA-N 1 0 318.436 4.113 20 30 DIEDRO C#CC[N@@H+](Cc1cc2c(cccc2O)s1)Cc1ccccc1 ZINC001462214882 1061031713 /nfs/dbraw/zinc/03/17/13/1061031713.db2.gz JXIIZVYOWFHONT-UHFFFAOYSA-N 1 0 307.418 4.242 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC001473259687 1061034909 /nfs/dbraw/zinc/03/49/09/1061034909.db2.gz LKGYICDZEGTEHV-CVEARBPZSA-N 1 0 306.475 4.035 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC[C@@H](O)C(C)C)C(C)(C)C)cc1 ZINC001473264842 1061039978 /nfs/dbraw/zinc/03/99/78/1061039978.db2.gz CHHNDHGNZVBAQQ-LJQANCHMSA-N 1 0 319.489 4.259 20 30 DIEDRO C[C@H]1C[C@H](Nc2cccc(CC#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC001462246025 1061050399 /nfs/dbraw/zinc/05/03/99/1061050399.db2.gz DKFZBWJPZRSJCM-UWJYYQICSA-N 1 0 319.452 4.075 20 30 DIEDRO C[C@H]1C[C@@H](Nc2cccc(CC#N)c2)C[N@H+](Cc2ccccc2)C1 ZINC001462246017 1061051255 /nfs/dbraw/zinc/05/12/55/1061051255.db2.gz DKFZBWJPZRSJCM-LAUBAEHRSA-N 1 0 319.452 4.075 20 30 DIEDRO C#CC[N@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC001462255394 1061057096 /nfs/dbraw/zinc/05/70/96/1061057096.db2.gz NDCJUNYKTBTTBW-TWGQIWQCSA-N 1 0 317.432 4.376 20 30 DIEDRO C=C(Br)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC001473309947 1061073953 /nfs/dbraw/zinc/07/39/53/1061073953.db2.gz DSEKXNCTFQMKJA-CYBMUJFWSA-N 1 0 300.215 4.411 20 30 DIEDRO C#CCOCC[NH2+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001473310303 1061075931 /nfs/dbraw/zinc/07/59/31/1061075931.db2.gz ISZAEBAIJDGBGY-FGZHOGPDSA-N 1 0 319.448 4.087 20 30 DIEDRO C#C[C@H]([NH2+][C@H](CC)Cc1ccc(Br)cc1)C(C)(C)C ZINC001462296773 1061086995 /nfs/dbraw/zinc/08/69/95/1061086995.db2.gz MSTHZWVAAPPYFB-CVEARBPZSA-N 1 0 322.290 4.408 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001462290667 1061081286 /nfs/dbraw/zinc/08/12/86/1061081286.db2.gz CFFCLUPZHUITDA-XHDPSFHLSA-N 1 0 314.256 4.398 20 30 DIEDRO C=CC[N@H+](CCc1ccco1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001473319490 1061085457 /nfs/dbraw/zinc/08/54/57/1061085457.db2.gz UXHHMGKKAFXMDU-PMACEKPBSA-N 1 0 311.425 4.230 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1)C(C)(C)C ZINC001462295385 1061085649 /nfs/dbraw/zinc/08/56/49/1061085649.db2.gz KPVCFARXXIYJOV-XJKSGUPXSA-N 1 0 320.864 4.003 20 30 DIEDRO CCC1(CC)C[N@H+](CC#Cc2ccc(Cl)cc2)CCS1 ZINC001473361546 1061114389 /nfs/dbraw/zinc/11/43/89/1061114389.db2.gz ZFYQLYBVBDYJMY-UHFFFAOYSA-N 1 0 307.890 4.299 20 30 DIEDRO N#Cc1cc(F)ccc1C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC001473365270 1061114559 /nfs/dbraw/zinc/11/45/59/1061114559.db2.gz BEKCEJBPJNKWSZ-UHFFFAOYSA-N 1 0 308.400 4.342 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001462366079 1061130375 /nfs/dbraw/zinc/13/03/75/1061130375.db2.gz VSAXZMNMUFINBP-GJZGRUSLSA-N 1 0 306.409 4.075 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001462373582 1061135630 /nfs/dbraw/zinc/13/56/30/1061135630.db2.gz MMCBBWWNOQWKAU-AFVILVPDSA-N 1 0 308.469 4.416 20 30 DIEDRO C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)CC12CCCCC2 ZINC001473407062 1061141657 /nfs/dbraw/zinc/14/16/57/1061141657.db2.gz ZWGRKRBVHRZDNH-QGZVFWFLSA-N 1 0 312.457 4.229 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001473408891 1061143408 /nfs/dbraw/zinc/14/34/08/1061143408.db2.gz NFTQIJIKTZQVRV-FPOVZHCZSA-N 1 0 312.501 4.070 20 30 DIEDRO C=CCCCC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC001473415991 1061147869 /nfs/dbraw/zinc/14/78/69/1061147869.db2.gz HVRJAIQTEBJUBC-IBGZPJMESA-N 1 0 300.490 4.233 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC001462408153 1061154762 /nfs/dbraw/zinc/15/47/62/1061154762.db2.gz MRQSKNQESBDYQW-CQSZACIVSA-N 1 0 300.377 4.457 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@H](C)CSc2ccccc2)ccc1C#N ZINC001462415901 1061160348 /nfs/dbraw/zinc/16/03/48/1061160348.db2.gz SCOQDCARVACEIO-MRXNPFEDSA-N 1 0 310.466 4.479 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)[C@H](C)[C@H]1OC ZINC001473446744 1061163324 /nfs/dbraw/zinc/16/33/24/1061163324.db2.gz GTBHYQYTJVYIDV-MJSCVDMRSA-N 1 0 300.446 4.049 20 30 DIEDRO CC(C)c1ccc(O)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC001462429856 1061169804 /nfs/dbraw/zinc/16/98/04/1061169804.db2.gz RFFNWLDAODXYBQ-UHFFFAOYSA-N 1 0 308.425 4.412 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](OC)C1CCCC1 ZINC001473466220 1061178113 /nfs/dbraw/zinc/17/81/13/1061178113.db2.gz ALISAFKKSZXZIL-LJQANCHMSA-N 1 0 319.493 4.047 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC001462445098 1061178249 /nfs/dbraw/zinc/17/82/49/1061178249.db2.gz RMXSETYOONPTST-CQSZACIVSA-N 1 0 315.379 4.209 20 30 DIEDRO Cc1ccc(CC2C[NH+](Cc3c(C)cc(C#N)cc3C)C2)cc1 ZINC001462446200 1061179108 /nfs/dbraw/zinc/17/91/08/1061179108.db2.gz VQOXLHXHZGVLKS-UHFFFAOYSA-N 1 0 304.437 4.158 20 30 DIEDRO Cc1cccc2[nH]c(C[N@H+](C)CCc3cccc(C#N)c3)cc21 ZINC001462521422 1061229030 /nfs/dbraw/zinc/22/90/30/1061229030.db2.gz VXZNJZQDOKSJBR-UHFFFAOYSA-N 1 0 303.409 4.023 20 30 DIEDRO CCCCCCCCC(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001455686517 1061231991 /nfs/dbraw/zinc/23/19/91/1061231991.db2.gz FLDRMTWEHVAENH-KRWDZBQOSA-N 1 0 308.510 4.212 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001473539715 1061232585 /nfs/dbraw/zinc/23/25/85/1061232585.db2.gz UQZKKDZGLQBYMM-NHCUHLMSSA-N 1 0 304.437 4.369 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1cccc(C#N)c1 ZINC001473542629 1061238570 /nfs/dbraw/zinc/23/85/70/1061238570.db2.gz QULQFWMDIBCSPS-XOKHGSTOSA-N 1 0 300.446 4.191 20 30 DIEDRO CCCCCCC[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC001473563653 1061250434 /nfs/dbraw/zinc/25/04/34/1061250434.db2.gz GOXDEPYCODBTHY-WGSAOQKQSA-N 1 0 319.489 4.468 20 30 DIEDRO CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC001462543377 1061252057 /nfs/dbraw/zinc/25/20/57/1061252057.db2.gz CRHRSCFZBPYMCZ-CZUORRHYSA-N 1 0 306.837 4.299 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c(OC(F)F)c1 ZINC001473567777 1061254160 /nfs/dbraw/zinc/25/41/60/1061254160.db2.gz YBSOUMJLSRMUKV-HNNXBMFYSA-N 1 0 320.383 4.172 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCCC12CCOCC2 ZINC001473573348 1061262044 /nfs/dbraw/zinc/26/20/44/1061262044.db2.gz NDRBACZKYVNULT-APWZRJJASA-N 1 0 312.457 4.148 20 30 DIEDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473579002 1061265325 /nfs/dbraw/zinc/26/53/25/1061265325.db2.gz WCHWYRYNOLUFRK-SJORKVTESA-N 1 0 300.421 4.346 20 30 DIEDRO Cc1cccc(C)c1C[N@@H+](Cc1cc(C#N)ccn1)CC(C)C ZINC001473577854 1061266255 /nfs/dbraw/zinc/26/62/55/1061266255.db2.gz MGYPSHOMRAPFSE-UHFFFAOYSA-N 1 0 307.441 4.228 20 30 DIEDRO C=C1CCC(C[NH2+][C@H]2CC[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC001462568806 1061267251 /nfs/dbraw/zinc/26/72/51/1061267251.db2.gz XBNZYSZYJCHVQY-RXVVDRJESA-N 1 0 312.501 4.376 20 30 DIEDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473579000 1061268092 /nfs/dbraw/zinc/26/80/92/1061268092.db2.gz WCHWYRYNOLUFRK-IAGOWNOFSA-N 1 0 300.421 4.346 20 30 DIEDRO C#CC1CC[NH+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC001473580944 1061271795 /nfs/dbraw/zinc/27/17/95/1061271795.db2.gz BWNPUHROIAOVBH-UHFFFAOYSA-N 1 0 323.436 4.070 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Br)c1 ZINC001473638455 1061310344 /nfs/dbraw/zinc/31/03/44/1061310344.db2.gz VFJBWQMLHFRMAU-ZIAGYGMSSA-N 1 0 309.251 4.069 20 30 DIEDRO C#Cc1ccc(N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001462647058 1061315308 /nfs/dbraw/zinc/31/53/08/1061315308.db2.gz XKLSAPWGOITGSK-HXUWFJFHSA-N 1 0 304.437 4.133 20 30 DIEDRO Cc1cccc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC001473671894 1061331620 /nfs/dbraw/zinc/33/16/20/1061331620.db2.gz FNBPQOCWKUSXLT-MRXNPFEDSA-N 1 0 305.425 4.202 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@H](C3CCCCC3)C2)c1 ZINC001473670963 1061334964 /nfs/dbraw/zinc/33/49/64/1061334964.db2.gz QJTJMPYWKRRGSK-IBGZPJMESA-N 1 0 312.457 4.229 20 30 DIEDRO C/C=C\C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473687648 1061347968 /nfs/dbraw/zinc/34/79/68/1061347968.db2.gz HTRMKUKUSMKFQU-PYLYLYNFSA-N 1 0 320.383 4.338 20 30 DIEDRO C[C@H](C[N@H+](C)Cc1ccc(OCC#N)cc1)C1CCCCC1 ZINC001473705530 1061358909 /nfs/dbraw/zinc/35/89/09/1061358909.db2.gz CJJIINQRDZUZTH-MRXNPFEDSA-N 1 0 300.446 4.237 20 30 DIEDRO C=CCCCC[NH+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@]2(C)C1 ZINC001473718954 1061366266 /nfs/dbraw/zinc/36/62/66/1061366266.db2.gz RABIRHUAHOOOJR-SFTDATJTSA-N 1 0 312.501 4.187 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(SC)cc2)CCCCC1 ZINC001473719921 1061369655 /nfs/dbraw/zinc/36/96/55/1061369655.db2.gz XBZWPBDJMDCACM-UHFFFAOYSA-N 1 0 318.486 4.216 20 30 DIEDRO C=CCCCC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001473739695 1061382966 /nfs/dbraw/zinc/38/29/66/1061382966.db2.gz UGTKBXLHIPDLBM-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001473741004 1061383169 /nfs/dbraw/zinc/38/31/69/1061383169.db2.gz JXJWIJYOUOSQMF-UHFFFAOYSA-N 1 0 303.409 4.288 20 30 DIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](C3CCC3)CC2)cc1 ZINC001473740196 1061385247 /nfs/dbraw/zinc/38/52/47/1061385247.db2.gz CGIPFBLMKSEBCU-IBGZPJMESA-N 1 0 312.457 4.229 20 30 DIEDRO CCCCCCCC[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC001473758499 1061394339 /nfs/dbraw/zinc/39/43/39/1061394339.db2.gz WJXLTQZHTVXAIT-UHFFFAOYSA-N 1 0 303.372 4.078 20 30 DIEDRO CCCC1(CCC)CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC001473768805 1061398352 /nfs/dbraw/zinc/39/83/52/1061398352.db2.gz HMZMYIWQWPUTKW-GOSISDBHSA-N 1 0 300.446 4.026 20 30 DIEDRO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)[nH]n1 ZINC001473773441 1061403911 /nfs/dbraw/zinc/40/39/11/1061403911.db2.gz VCJWHUKXFBTWQU-CRAIPNDOSA-N 1 0 322.456 4.345 20 30 DIEDRO CCCCCCCCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001457090161 1061407147 /nfs/dbraw/zinc/40/71/47/1061407147.db2.gz WPHQAXRVDIFXGK-RBUKOAKNSA-N 1 0 322.537 4.458 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1cccc(C#N)c1 ZINC001473786432 1061409923 /nfs/dbraw/zinc/40/99/23/1061409923.db2.gz BEGQSEZMPWPOIN-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001473801342 1061413477 /nfs/dbraw/zinc/41/34/77/1061413477.db2.gz GDFSVQVXPGDGCB-KCXAZCMYSA-N 1 0 308.347 4.284 20 30 DIEDRO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CCC2)cc1F ZINC001473812599 1061420078 /nfs/dbraw/zinc/42/00/78/1061420078.db2.gz CBLKKPHGXITSTB-UHFFFAOYSA-N 1 0 312.363 4.391 20 30 DIEDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001473818492 1061422568 /nfs/dbraw/zinc/42/25/68/1061422568.db2.gz OYHLIJZNLNUWKK-UWJYYQICSA-N 1 0 320.436 4.205 20 30 DIEDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001473818489 1061423555 /nfs/dbraw/zinc/42/35/55/1061423555.db2.gz OYHLIJZNLNUWKK-DYESRHJHSA-N 1 0 320.436 4.205 20 30 DIEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001473838133 1061428266 /nfs/dbraw/zinc/42/82/66/1061428266.db2.gz CYXOJRFYYTYUEO-OXQOHEQNSA-N 1 0 306.409 4.001 20 30 DIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC001473843583 1061432384 /nfs/dbraw/zinc/43/23/84/1061432384.db2.gz HBWJOFFAWWFRFS-DUQGCJEPSA-N 1 0 318.420 4.115 20 30 DIEDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCC[C@@H]21 ZINC001473863127 1061438852 /nfs/dbraw/zinc/43/88/52/1061438852.db2.gz SZSAZKKVURRSSJ-JKSUJKDBSA-N 1 0 318.848 4.253 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001473877613 1061444432 /nfs/dbraw/zinc/44/44/32/1061444432.db2.gz WBMBNRVNQBISLC-KRWDZBQOSA-N 1 0 306.498 4.135 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001473877614 1061445300 /nfs/dbraw/zinc/44/53/00/1061445300.db2.gz WBMBNRVNQBISLC-QGZVFWFLSA-N 1 0 306.498 4.135 20 30 DIEDRO C=CC[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC001473918570 1061468040 /nfs/dbraw/zinc/46/80/40/1061468040.db2.gz BCYFORAXNYUVTJ-UHFFFAOYSA-N 1 0 303.837 4.099 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC001473922981 1061472212 /nfs/dbraw/zinc/47/22/12/1061472212.db2.gz RGSHEXOPWYBKBN-PZJWPPBQSA-N 1 0 312.501 4.028 20 30 DIEDRO Cc1cccc(C)c1OCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001473948290 1061489788 /nfs/dbraw/zinc/48/97/88/1061489788.db2.gz FWMVMFKMNGOSHP-UHFFFAOYSA-N 1 0 320.436 4.027 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(F)F)c(F)c1)c1ccc(C#N)cc1 ZINC001473962972 1061503365 /nfs/dbraw/zinc/50/33/65/1061503365.db2.gz CTYYVEFKBAKPGH-NSHDSACASA-N 1 0 304.315 4.486 20 30 DIEDRO CCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001457796353 1061504122 /nfs/dbraw/zinc/50/41/22/1061504122.db2.gz MHANEEHRICQQMR-LJQANCHMSA-N 1 0 316.489 4.080 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC001473970751 1061516792 /nfs/dbraw/zinc/51/67/92/1061516792.db2.gz FMNFZVKHGHCWQA-UHFFFAOYSA-N 1 0 305.780 4.334 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CCC(C)C)cc1C#N ZINC001473976134 1061520644 /nfs/dbraw/zinc/52/06/44/1061520644.db2.gz CFOZDMJFSQAUAA-WMZOPIPTSA-N 1 0 300.446 4.261 20 30 DIEDRO C=C(C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)c1ccccc1 ZINC001473982452 1061526472 /nfs/dbraw/zinc/52/64/72/1061526472.db2.gz NZDNKPRTZGKHOS-UHFFFAOYSA-N 1 0 321.399 4.029 20 30 DIEDRO CCCCCCCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001457945029 1061526425 /nfs/dbraw/zinc/52/64/25/1061526425.db2.gz AWNQZDJRSIXCJD-IBGZPJMESA-N 1 0 316.489 4.196 20 30 DIEDRO C=C(Br)C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001473988521 1061530734 /nfs/dbraw/zinc/53/07/34/1061530734.db2.gz OGUYSNWNMOIFTG-UHFFFAOYSA-N 1 0 308.141 4.012 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H]2CSCc3ccccc32)c1 ZINC001473993396 1061536797 /nfs/dbraw/zinc/53/67/97/1061536797.db2.gz XCYFCCDOACOWLJ-IBGZPJMESA-N 1 0 311.450 4.329 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)N[C@H](c1ccc([C@@H](C)CC)cc1)C(C)C ZINC001463961903 1061539098 /nfs/dbraw/zinc/53/90/98/1061539098.db2.gz MEXGABBJZFALGN-KXBFYZLASA-N 1 0 316.489 4.131 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC001474001976 1061542702 /nfs/dbraw/zinc/54/27/02/1061542702.db2.gz CSUXMDLOEREWCO-SFHVURJKSA-N 1 0 304.437 4.307 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)C1 ZINC001474007305 1061548963 /nfs/dbraw/zinc/54/89/63/1061548963.db2.gz XOAMEUMLTQHOPN-MNEFBYGVSA-N 1 0 301.474 4.352 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)c1 ZINC001474008033 1061549046 /nfs/dbraw/zinc/54/90/46/1061549046.db2.gz SZCWLGPMHHJVMI-KBAYOESNSA-N 1 0 300.446 4.426 20 30 DIEDRO Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001474012569 1061554111 /nfs/dbraw/zinc/55/41/11/1061554111.db2.gz QSTSYPAVSZAXFW-KRWDZBQOSA-N 1 0 304.437 4.444 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCc2ccc(OC)c(OCC)c2)C1 ZINC001474012803 1061554572 /nfs/dbraw/zinc/55/45/72/1061554572.db2.gz HWLQEVQQQHJCFD-WMZOPIPTSA-N 1 0 317.473 4.361 20 30 DIEDRO Cc1ccc(O[C@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC001474025449 1061564799 /nfs/dbraw/zinc/56/47/99/1061564799.db2.gz RUBWFGDIPVZFKE-QGZVFWFLSA-N 1 0 322.452 4.353 20 30 DIEDRO CC1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCC1 ZINC001474033176 1061578105 /nfs/dbraw/zinc/57/81/05/1061578105.db2.gz BDBYJPZQAYPROW-UHFFFAOYSA-N 1 0 320.436 4.417 20 30 DIEDRO CCCCCCCC[C@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC001252121395 1061580710 /nfs/dbraw/zinc/58/07/10/1061580710.db2.gz FUOGRTHGYXSYNQ-FQEVSTJZSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001252121116 1061581333 /nfs/dbraw/zinc/58/13/33/1061581333.db2.gz CGYPDZXVJZQXHL-CABCVRRESA-N 1 0 309.416 4.167 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001252121119 1061581527 /nfs/dbraw/zinc/58/15/27/1061581527.db2.gz CGYPDZXVJZQXHL-GJZGRUSLSA-N 1 0 309.416 4.167 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC001252122485 1061583281 /nfs/dbraw/zinc/58/32/81/1061583281.db2.gz WJQPGIKQJQVHNJ-AEFFLSMTSA-N 1 0 308.466 4.231 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001252128218 1061584024 /nfs/dbraw/zinc/58/40/24/1061584024.db2.gz KLGDATYSCUFCFY-LSDHHAIUSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001252128215 1061585911 /nfs/dbraw/zinc/58/59/11/1061585911.db2.gz KLGDATYSCUFCFY-CABCVRRESA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001252127108 1061586412 /nfs/dbraw/zinc/58/64/12/1061586412.db2.gz WVDXJHKULYDOSD-OWCLPIDISA-N 1 0 303.437 4.075 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001252130482 1061587014 /nfs/dbraw/zinc/58/70/14/1061587014.db2.gz RKNBPAKBVXFKJE-RBUKOAKNSA-N 1 0 318.505 4.373 20 30 DIEDRO C=CC1(CC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCCCC1 ZINC001464399659 1061588199 /nfs/dbraw/zinc/58/81/99/1061588199.db2.gz JLUCALSJZFGXOV-FXAWDEMLSA-N 1 0 320.521 4.140 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001252131508 1061589062 /nfs/dbraw/zinc/58/90/62/1061589062.db2.gz PCUGLPUPBKVCNU-VQIMIIECSA-N 1 0 302.462 4.320 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC001252131434 1061589923 /nfs/dbraw/zinc/58/99/23/1061589923.db2.gz NPDCYLHECWXMDJ-JKSUJKDBSA-N 1 0 317.477 4.325 20 30 DIEDRO CCCCCCCC[C@H](O)CNc1cccc(C[NH+](C)C)c1 ZINC001252133528 1061591177 /nfs/dbraw/zinc/59/11/77/1061591177.db2.gz QCTPISAWVJKNJO-IBGZPJMESA-N 1 0 306.494 4.272 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001252134176 1061591579 /nfs/dbraw/zinc/59/15/79/1061591579.db2.gz OBKNEMLJZVJWQF-INIZCTEOSA-N 1 0 312.885 4.245 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@H+](C1CCC1)C1CCOCC1 ZINC001252132316 1061592288 /nfs/dbraw/zinc/59/22/88/1061592288.db2.gz FNQNCQIEANYPQN-IBGZPJMESA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@@H](O)CNc1ccc(C[NH+](C)C)cc1 ZINC001252132783 1061592692 /nfs/dbraw/zinc/59/26/92/1061592692.db2.gz LECNTFJWBINVMN-LJQANCHMSA-N 1 0 306.494 4.272 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc(OC)c(F)c1 ZINC001252134920 1061594581 /nfs/dbraw/zinc/59/45/81/1061594581.db2.gz UKHWSMVKUMDNPO-INIZCTEOSA-N 1 0 311.441 4.035 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001252135624 1061594610 /nfs/dbraw/zinc/59/46/10/1061594610.db2.gz GNYDZBSLMMSIAL-SFHVURJKSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)c1cc(C)ccn1 ZINC001252138406 1061595775 /nfs/dbraw/zinc/59/57/75/1061595775.db2.gz BILXWBWJTKJIEP-GOSISDBHSA-N 1 0 320.521 4.369 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cc2ccccc2cn1 ZINC001252137609 1061595920 /nfs/dbraw/zinc/59/59/20/1061595920.db2.gz ZJXHFENIUJFTRJ-FQEVSTJZSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCc2cc(C)ncc21 ZINC001252140151 1061596624 /nfs/dbraw/zinc/59/66/24/1061596624.db2.gz ZZHKMVCXADBSEK-MJGOQNOKSA-N 1 0 304.478 4.078 20 30 DIEDRO CCCCCCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001464454432 1061597041 /nfs/dbraw/zinc/59/70/41/1061597041.db2.gz XXCJGLBAWOFZSK-QGZVFWFLSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]C1(CC2CC2)CCOCC1 ZINC001252139765 1061597346 /nfs/dbraw/zinc/59/73/46/1061597346.db2.gz RWDQUBGHZSLSTM-GOSISDBHSA-N 1 0 311.510 4.037 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc2cccnc21 ZINC001252139990 1061597773 /nfs/dbraw/zinc/59/77/73/1061597773.db2.gz WJXJIVMDUXGQQL-LJQANCHMSA-N 1 0 314.473 4.436 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](c1ccnc(F)c1)C1CC1 ZINC001252140113 1061598001 /nfs/dbraw/zinc/59/80/01/1061598001.db2.gz ZCWKUVIHRMLFRQ-HKUYNNGSSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCc2cc(C)ncc21 ZINC001252140149 1061598333 /nfs/dbraw/zinc/59/83/33/1061598333.db2.gz ZZHKMVCXADBSEK-HKUYNNGSSA-N 1 0 304.478 4.078 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)Cc1ccncc1 ZINC001252139439 1061598806 /nfs/dbraw/zinc/59/88/06/1061598806.db2.gz OENQLZPHSURVCJ-LJQANCHMSA-N 1 0 320.521 4.351 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](c1ccncc1)C(C)C ZINC001252140425 1061599662 /nfs/dbraw/zinc/59/96/62/1061599662.db2.gz AAVTVOUCYHOWIF-RBUKOAKNSA-N 1 0 306.494 4.480 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC001252140602 1061599734 /nfs/dbraw/zinc/59/97/34/1061599734.db2.gz RWGOENFSCVEIRD-IEBWSBKVSA-N 1 0 305.462 4.081 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cnc(C(C)C)s1 ZINC001252140273 1061601064 /nfs/dbraw/zinc/60/10/64/1061601064.db2.gz OOITUGLVXMNDQG-HNNXBMFYSA-N 1 0 312.523 4.468 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccccc1 ZINC001474075580 1061621518 /nfs/dbraw/zinc/62/15/18/1061621518.db2.gz QWJITABKUWXWBU-IBGZPJMESA-N 1 0 302.421 4.341 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(C)c(F)c1 ZINC001474094507 1061639765 /nfs/dbraw/zinc/63/97/65/1061639765.db2.gz PDPBJIDLJRYHKW-SFHVURJKSA-N 1 0 312.388 4.255 20 30 DIEDRO C=C[C@](C)(O)C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001252557237 1061663637 /nfs/dbraw/zinc/66/36/37/1061663637.db2.gz IJVSIYJKJLJTTP-UTKZUKDTSA-N 1 0 320.436 4.058 20 30 DIEDRO C=C[C@](C)(O)C[N@@H+](Cc1c(Cl)cccc1Cl)C(C)C ZINC001252558086 1061663708 /nfs/dbraw/zinc/66/37/08/1061663708.db2.gz MGODPMIEJYNWAY-HNNXBMFYSA-N 1 0 302.245 4.141 20 30 DIEDRO C=C[C@@](C)(O)C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001252559448 1061664853 /nfs/dbraw/zinc/66/48/53/1061664853.db2.gz XHQLCBLDTASUHR-LAUBAEHRSA-N 1 0 320.436 4.058 20 30 DIEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001252574228 1061670762 /nfs/dbraw/zinc/67/07/62/1061670762.db2.gz NBJPJSOTELZPJP-SFHVURJKSA-N 1 0 317.816 4.159 20 30 DIEDRO C=C[C@](C)(O)C[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC001252581786 1061670776 /nfs/dbraw/zinc/67/07/76/1061670776.db2.gz JQMAQHSNGPHHKI-YADHBBJMSA-N 1 0 317.432 4.456 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)cc1 ZINC001474121087 1061671510 /nfs/dbraw/zinc/67/15/10/1061671510.db2.gz JPCBABZHHMAQGZ-NHCUHLMSSA-N 1 0 319.448 4.141 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC001252602687 1061673534 /nfs/dbraw/zinc/67/35/34/1061673534.db2.gz FADMAULIQAPHFC-GOSISDBHSA-N 1 0 311.425 4.238 20 30 DIEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001474129823 1061675792 /nfs/dbraw/zinc/67/57/92/1061675792.db2.gz XBRXYKVAEDLIML-QGZVFWFLSA-N 1 0 313.441 4.271 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC)Cc1ccc(Cl)cc1Cl ZINC001252620153 1061678467 /nfs/dbraw/zinc/67/84/67/1061678467.db2.gz QMAUPRDZAXQZHZ-HUUCEWRRSA-N 1 0 316.272 4.231 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1 ZINC001252617780 1061679438 /nfs/dbraw/zinc/67/94/38/1061679438.db2.gz KLSXVMFWRJHKKH-KRWDZBQOSA-N 1 0 315.388 4.035 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2sccc2Br)C1 ZINC001474135167 1061681866 /nfs/dbraw/zinc/68/18/66/1061681866.db2.gz SQCYZOHHQJGPLQ-MNOVXSKESA-N 1 0 300.265 4.345 20 30 DIEDRO C=CCC1([NH2+]Cc2cn3cc(Cl)ccc3n2)CCCCC1 ZINC001474146948 1061693193 /nfs/dbraw/zinc/69/31/93/1061693193.db2.gz MKTOCUBEXACAMJ-UHFFFAOYSA-N 1 0 303.837 4.356 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(OC)ccc2OCOC)CCCCC1 ZINC001474146855 1061693619 /nfs/dbraw/zinc/69/36/19/1061693619.db2.gz HYGMBBZQDPVDSV-UHFFFAOYSA-N 1 0 319.445 4.047 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001474162903 1061706736 /nfs/dbraw/zinc/70/67/36/1061706736.db2.gz AILFVSJSCZNCBA-UAPYVXQJSA-N 1 0 308.400 4.350 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001474164239 1061709551 /nfs/dbraw/zinc/70/95/51/1061709551.db2.gz JYUDOKDCKAAQQU-RTBURBONSA-N 1 0 313.489 4.342 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cccc(OCC)c2OCCC)c1 ZINC001474179047 1061724132 /nfs/dbraw/zinc/72/41/32/1061724132.db2.gz ZTEBFQOMUKTVCA-UHFFFAOYSA-N 1 0 323.436 4.145 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001474177873 1061724209 /nfs/dbraw/zinc/72/42/09/1061724209.db2.gz AZUKPAJRYBUWNP-SFHVURJKSA-N 1 0 310.397 4.180 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1 ZINC001474178702 1061725105 /nfs/dbraw/zinc/72/51/05/1061725105.db2.gz OXAFCTCLZIWOEX-UHFFFAOYSA-N 1 0 305.352 4.357 20 30 DIEDRO Cc1ccccc1[C@@H]([C@H](C)Nc1cccc(F)c1C#N)[NH+](C)C ZINC001458369103 1061725391 /nfs/dbraw/zinc/72/53/91/1061725391.db2.gz FGWJUJSBGYICBG-IFXJQAMLSA-N 1 0 311.404 4.109 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)CCCC1 ZINC001474207816 1061763497 /nfs/dbraw/zinc/76/34/97/1061763497.db2.gz GTPPJMSRKKIOPW-UHFFFAOYSA-N 1 0 315.457 4.398 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC001474208297 1061763956 /nfs/dbraw/zinc/76/39/56/1061763956.db2.gz ZCOIZGFFQMDCPW-RDJZCZTQSA-N 1 0 318.461 4.033 20 30 DIEDRO C=CCC1([NH2+]Cc2ccnn2CCc2ccccc2)CCCC1 ZINC001474209594 1061767426 /nfs/dbraw/zinc/76/74/26/1061767426.db2.gz FXAGARHOJYPNEU-UHFFFAOYSA-N 1 0 309.457 4.104 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC001252980337 1061771957 /nfs/dbraw/zinc/77/19/57/1061771957.db2.gz RQZJRYSSTZXMKA-RTBURBONSA-N 1 0 313.526 4.115 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccncc1C ZINC001252982869 1061772179 /nfs/dbraw/zinc/77/21/79/1061772179.db2.gz MUHBIUGHQRQTSR-IBGZPJMESA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cnccc1C ZINC001252982550 1061773322 /nfs/dbraw/zinc/77/33/22/1061773322.db2.gz HFFMRCFBVFBDHS-IBGZPJMESA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccccc1CO ZINC001252985285 1061777747 /nfs/dbraw/zinc/77/77/47/1061777747.db2.gz CYVKLOAKIUBUIN-HXUWFJFHSA-N 1 0 321.505 4.160 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001252987108 1061778916 /nfs/dbraw/zinc/77/89/16/1061778916.db2.gz QSAHETSTMFJJGB-QZTJIDSGSA-N 1 0 313.526 4.425 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccnc(F)c1 ZINC001252987517 1061781090 /nfs/dbraw/zinc/78/10/90/1061781090.db2.gz UNSJITLHRFPSTR-KRWDZBQOSA-N 1 0 310.457 4.202 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC[C@@H]2CCCS2)ccc1OC ZINC001474224397 1061785003 /nfs/dbraw/zinc/78/50/03/1061785003.db2.gz QHQBKBVNSVNYJW-INIZCTEOSA-N 1 0 321.486 4.025 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC001474246935 1061810997 /nfs/dbraw/zinc/81/09/97/1061810997.db2.gz LKWUGXJVDSXFEM-CTXBLAANSA-N 1 0 313.363 4.025 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001474246912 1061812742 /nfs/dbraw/zinc/81/27/42/1061812742.db2.gz KOFKEWJKMXGYKF-IBGZPJMESA-N 1 0 315.844 4.424 20 30 DIEDRO COc1ccc(C[NH2+]C/C=C\c2cc(C)c(C)cc2C)cc1C#N ZINC001474248641 1061815014 /nfs/dbraw/zinc/81/50/14/1061815014.db2.gz UAUKJHKSBBJHTG-WAYWQWQTSA-N 1 0 320.436 4.295 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC001474255176 1061823041 /nfs/dbraw/zinc/82/30/41/1061823041.db2.gz BNSDHNXKFKZAPT-HAQNSBGRSA-N 1 0 312.276 4.101 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001474255907 1061823109 /nfs/dbraw/zinc/82/31/09/1061823109.db2.gz BXLPMLVASFIWBN-HZPDHXFCSA-N 1 0 324.509 4.262 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1C#N ZINC001474263445 1061831008 /nfs/dbraw/zinc/83/10/08/1061831008.db2.gz YJNZIAUQHWAYHH-UHFFFAOYSA-N 1 0 304.315 4.175 20 30 DIEDRO CSC1CCC(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001474267017 1061832314 /nfs/dbraw/zinc/83/23/14/1061832314.db2.gz GIDJQZYJZNTERJ-UHFFFAOYSA-N 1 0 316.514 4.499 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC001253238702 1061836232 /nfs/dbraw/zinc/83/62/32/1061836232.db2.gz DLYTYDMAUUBBHX-MRXNPFEDSA-N 1 0 316.445 4.147 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1ccc2ncccc2c1 ZINC001474267944 1061836663 /nfs/dbraw/zinc/83/66/63/1061836663.db2.gz QCHXJQKHWMELAD-UHFFFAOYSA-N 1 0 315.420 4.056 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(COCC)C1 ZINC001253234836 1061838736 /nfs/dbraw/zinc/83/87/36/1061838736.db2.gz FZIPQRIXQXROOA-AQNXPRMDSA-N 1 0 323.521 4.013 20 30 DIEDRO C=CCCCCCC[C@H](O)C[N@@H+](C)Cc1cccc(OC)c1 ZINC001253239100 1061839010 /nfs/dbraw/zinc/83/90/10/1061839010.db2.gz KDAGZKAKVIGTFC-SFHVURJKSA-N 1 0 305.462 4.015 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCC(C)(C)O2)CC1 ZINC001253240903 1061840916 /nfs/dbraw/zinc/84/09/16/1061840916.db2.gz BORZWUYDEFTUFO-SFHVURJKSA-N 1 0 323.521 4.298 20 30 DIEDRO CCCCCCC[C@H](C)CNC(=O)Nc1cc(C)ncc1C ZINC001465948617 1061847553 /nfs/dbraw/zinc/84/75/53/1061847553.db2.gz IEWWTAJWEJCRBC-AWEZNQCLSA-N 1 0 305.466 4.238 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC001253245635 1061847816 /nfs/dbraw/zinc/84/78/16/1061847816.db2.gz ADJTYDRZUBFPOS-HOTGVXAUSA-N 1 0 315.461 4.101 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001253247398 1061849898 /nfs/dbraw/zinc/84/98/98/1061849898.db2.gz IVUBSDLYMVCYBT-GOSISDBHSA-N 1 0 300.446 4.145 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001253248955 1061850365 /nfs/dbraw/zinc/85/03/65/1061850365.db2.gz DSBQKLBQQNZAEO-JTDSTZFVSA-N 1 0 323.427 4.298 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC001253247375 1061851080 /nfs/dbraw/zinc/85/10/80/1061851080.db2.gz IQGABHKDNGOVHT-AEFFLSMTSA-N 1 0 305.462 4.233 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC001253247475 1061851911 /nfs/dbraw/zinc/85/19/11/1061851911.db2.gz ZNPYDQFNHCKRSF-WMZOPIPTSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2ncccc2c1 ZINC001253248249 1061852130 /nfs/dbraw/zinc/85/21/30/1061852130.db2.gz SQHSGEJVPNPCHE-IBGZPJMESA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC001253252239 1061853160 /nfs/dbraw/zinc/85/31/60/1061853160.db2.gz SWFWIAJFPDBXKW-HOTGVXAUSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC001253252283 1061853684 /nfs/dbraw/zinc/85/36/84/1061853684.db2.gz UJOLCIXLBDGPKW-DOTOQJQBSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cc2ccccc2cn1 ZINC001253250339 1061854127 /nfs/dbraw/zinc/85/41/27/1061854127.db2.gz XHZAYZPGCSYWAJ-HXUWFJFHSA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(c2ccccc2F)CC1 ZINC001253252723 1061855231 /nfs/dbraw/zinc/85/52/31/1061855231.db2.gz ZXGTYPRBJVGYBL-INIZCTEOSA-N 1 0 305.437 4.292 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CCCOCc1ccccc1 ZINC001253249672 1061855309 /nfs/dbraw/zinc/85/53/09/1061855309.db2.gz MNRYQDFPAXAZTN-FQEVSTJZSA-N 1 0 319.489 4.070 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC001253254891 1061856203 /nfs/dbraw/zinc/85/62/03/1061856203.db2.gz VCLYFJKLXWSKOM-OALUTQOASA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C(C)(C)CC1CCOCC1 ZINC001253255276 1061856323 /nfs/dbraw/zinc/85/63/23/1061856323.db2.gz XXEAVTATLIHVFN-GOSISDBHSA-N 1 0 311.510 4.059 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(C)(C)c1cccc(C)n1 ZINC001253254759 1061856575 /nfs/dbraw/zinc/85/65/75/1061856575.db2.gz RUVCCUQDIXCHRG-SFHVURJKSA-N 1 0 318.505 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC001253254965 1061857069 /nfs/dbraw/zinc/85/70/69/1061857069.db2.gz GBVNJGYXNHHFHH-FXAWDEMLSA-N 1 0 317.473 4.160 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cccc2cccnc21 ZINC001253255345 1061857117 /nfs/dbraw/zinc/85/71/17/1061857117.db2.gz YCEMABBHLZSKFU-IBGZPJMESA-N 1 0 312.457 4.212 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1cccnc1F)C1CC1 ZINC001253255397 1061857443 /nfs/dbraw/zinc/85/74/43/1061857443.db2.gz YGQLBEPISADLPM-FUHWJXTLSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(Cc2ccccn2)CCC1 ZINC001253255112 1061858284 /nfs/dbraw/zinc/85/82/84/1061858284.db2.gz WEHJVLBZASCHJE-LJQANCHMSA-N 1 0 316.489 4.024 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)c1cccc(F)c1OC ZINC001253257184 1061859425 /nfs/dbraw/zinc/85/94/25/1061859425.db2.gz OHRRKEZLFROQFP-HZPDHXFCSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](c1cncc(C)c1)C1CC1 ZINC001253257494 1061860174 /nfs/dbraw/zinc/86/01/74/1061860174.db2.gz WVAUGAAWNBRGET-PMACEKPBSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](CCC)c1ccncc1 ZINC001253256422 1061860284 /nfs/dbraw/zinc/86/02/84/1061860284.db2.gz XQDAAHOYFRYJEZ-MOPGFXCFSA-N 1 0 304.478 4.400 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC001253255715 1061860823 /nfs/dbraw/zinc/86/08/23/1061860823.db2.gz LCJZBZBECQWQSD-XLIONFOSSA-N 1 0 317.473 4.160 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC001474294690 1061864608 /nfs/dbraw/zinc/86/46/08/1061864608.db2.gz SASFHFGJESUTEC-AWEZNQCLSA-N 1 0 309.251 4.009 20 30 DIEDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001474306517 1061873418 /nfs/dbraw/zinc/87/34/18/1061873418.db2.gz DOVUFLWYBOLOSF-LEWJYISDSA-N 1 0 320.436 4.271 20 30 DIEDRO COc1cc(C)ccc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001474320089 1061897459 /nfs/dbraw/zinc/89/74/59/1061897459.db2.gz VXNYGHCCDPDCPK-UHFFFAOYSA-N 1 0 308.425 4.286 20 30 DIEDRO C=CCC[NH2+]C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253496871 1061905439 /nfs/dbraw/zinc/90/54/39/1061905439.db2.gz KNPVUWKPLOQLTB-SFHVURJKSA-N 1 0 309.881 4.216 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](CC)C2)cc1OC ZINC001474331788 1061923976 /nfs/dbraw/zinc/92/39/76/1061923976.db2.gz WEFFVKIZJZQTAI-ZDUSSCGKSA-N 1 0 309.837 4.145 20 30 DIEDRO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1nccn1C ZINC001253562798 1061926985 /nfs/dbraw/zinc/92/69/85/1061926985.db2.gz GYGUDOVNFMPFSV-SFHVURJKSA-N 1 0 323.525 4.182 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1cncnc1 ZINC001253563316 1061928671 /nfs/dbraw/zinc/92/86/71/1061928671.db2.gz CLECMWXRTMKHBQ-LJQANCHMSA-N 1 0 321.509 4.238 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccncn1 ZINC001253565413 1061929705 /nfs/dbraw/zinc/92/97/05/1061929705.db2.gz MWAKFFKTVKUMCO-LJQANCHMSA-N 1 0 321.509 4.238 20 30 DIEDRO C=C[C@@H](O)C[N@@H+]1CCCC[C@H]1C(c1ccccc1)c1ccccc1 ZINC001253578393 1061930246 /nfs/dbraw/zinc/93/02/46/1061930246.db2.gz AJGKHRCOTOZIIK-RTWAWAEBSA-N 1 0 321.464 4.220 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001253566324 1061932968 /nfs/dbraw/zinc/93/29/68/1061932968.db2.gz ZVVBYMIVIFGLQY-QRVBRYPASA-N 1 0 313.526 4.019 20 30 DIEDRO COc1ccc(C[C@H](C)C[N@H+](CCC#N)CC(C)(C)C)cc1F ZINC001474339923 1061933101 /nfs/dbraw/zinc/93/31/01/1061933101.db2.gz RGRZTMREMDVBSR-HNNXBMFYSA-N 1 0 320.452 4.275 20 30 DIEDRO C#Cc1ccc(C[N@@H+](CCC)[C@H]2CCc3ccccc3C2)cc1 ZINC001474341553 1061940155 /nfs/dbraw/zinc/94/01/55/1061940155.db2.gz ZOTSNWHPPMWWOF-QFIPXVFZSA-N 1 0 303.449 4.437 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1OCC2 ZINC001474363095 1061993998 /nfs/dbraw/zinc/99/39/98/1061993998.db2.gz ZDZASXKSQDQJRB-UHFFFAOYSA-N 1 0 320.436 4.151 20 30 DIEDRO CC[N@H+](Cc1cccn1C(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC001474369018 1062004827 /nfs/dbraw/zinc/00/48/27/1062004827.db2.gz BAEQGMGRFGXXOI-ZDUSSCGKSA-N 1 0 303.356 4.338 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2cccc(OCC#N)c2)c2ccccc21 ZINC001254110662 1062026305 /nfs/dbraw/zinc/02/63/05/1062026305.db2.gz PIAGXFPFFBHMNO-IBGZPJMESA-N 1 0 306.409 4.101 20 30 DIEDRO N#CCOc1cccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC001254109850 1062027132 /nfs/dbraw/zinc/02/71/32/1062027132.db2.gz JQTZZYTZEPIAGL-GOSISDBHSA-N 1 0 312.800 4.019 20 30 DIEDRO N#Cc1ccc(C[N@@H+](C/C=C/c2ccc(F)cc2)C2CC2)cc1 ZINC001474390238 1062040258 /nfs/dbraw/zinc/04/02/58/1062040258.db2.gz UBPQEPLHYGQDGJ-OWOJBTEDSA-N 1 0 306.384 4.375 20 30 DIEDRO COc1ccc(Cl)cc1CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC001254184509 1062041242 /nfs/dbraw/zinc/04/12/42/1062041242.db2.gz OEYCIWLUUNCTQX-ZDUSSCGKSA-N 1 0 314.816 4.114 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cccc(OC2CC2)c1F ZINC001474390945 1062043593 /nfs/dbraw/zinc/04/35/93/1062043593.db2.gz JHUPZEUCSDPKLM-UHFFFAOYSA-N 1 0 315.388 4.191 20 30 DIEDRO C#CCCCCCC[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001474392192 1062045535 /nfs/dbraw/zinc/04/55/35/1062045535.db2.gz UIMGNKLLVUBRQO-OAHLLOKOSA-N 1 0 322.855 4.231 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC001474393131 1062047233 /nfs/dbraw/zinc/04/72/33/1062047233.db2.gz JHKZAZSSBITQGI-UONOGXRCSA-N 1 0 301.409 4.325 20 30 DIEDRO FC1(F)CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001254226002 1062058824 /nfs/dbraw/zinc/05/88/24/1062058824.db2.gz OKYDMZAXDJGIEK-UHFFFAOYSA-N 1 0 303.396 4.328 20 30 DIEDRO Cc1ccnc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)c1 ZINC001254341537 1062080244 /nfs/dbraw/zinc/08/02/44/1062080244.db2.gz GQOXWXNVKKFZPS-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC001254347299 1062080740 /nfs/dbraw/zinc/08/07/40/1062080740.db2.gz GEBZQAQLUHHHGC-UHFFFAOYSA-N 1 0 312.432 4.308 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1cccnc1 ZINC001254341060 1062081560 /nfs/dbraw/zinc/08/15/60/1062081560.db2.gz CVVOVWRIYOGANG-VMEOHVCESA-N 1 0 323.415 4.275 20 30 DIEDRO Cc1occc1C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254347968 1062081945 /nfs/dbraw/zinc/08/19/45/1062081945.db2.gz WTCOOWXQTFQPDV-UHFFFAOYSA-N 1 0 312.388 4.221 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH2+]C2(CC3CC3)CC2)CC1 ZINC001254351840 1062083156 /nfs/dbraw/zinc/08/31/56/1062083156.db2.gz WQEYAGDXZVPQSS-UHFFFAOYSA-N 1 0 312.432 4.452 20 30 DIEDRO CC1CC[NH+](C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254353193 1062083918 /nfs/dbraw/zinc/08/39/18/1062083918.db2.gz UOEZCMLJRJAGFM-UHFFFAOYSA-N 1 0 300.421 4.262 20 30 DIEDRO C#CC1([NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)CCCCC1 ZINC001254351236 1062084110 /nfs/dbraw/zinc/08/41/10/1062084110.db2.gz HTYSERVCXXGUPP-UHFFFAOYSA-N 1 0 324.443 4.455 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CC3CCC2CC3)CC1 ZINC001254355538 1062084572 /nfs/dbraw/zinc/08/45/72/1062084572.db2.gz HNJGPBXERSUSTG-UHFFFAOYSA-N 1 0 312.432 4.404 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC001459339706 1062097688 /nfs/dbraw/zinc/09/76/88/1062097688.db2.gz AEQZARQLVHDIKR-IBGZPJMESA-N 1 0 315.457 4.175 20 30 DIEDRO C#Cc1cccc(N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC001474423637 1062098065 /nfs/dbraw/zinc/09/80/65/1062098065.db2.gz KVNZBANKJSBYGA-RBBKRZOGSA-N 1 0 316.448 4.448 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001459353864 1062108584 /nfs/dbraw/zinc/10/85/84/1062108584.db2.gz WGPUYVRUZGRUKW-UWJYYQICSA-N 1 0 320.436 4.137 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001474440994 1062118525 /nfs/dbraw/zinc/11/85/25/1062118525.db2.gz BQIYPROGOQSZQV-DLBZAZTESA-N 1 0 302.462 4.131 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC(C)(C)O1 ZINC001459389637 1062122668 /nfs/dbraw/zinc/12/26/68/1062122668.db2.gz ITCVXAOYGZSYLU-GOSISDBHSA-N 1 0 300.446 4.116 20 30 DIEDRO C=CC[N@H+](CCO[C@H]1CCCC[C@@H]1C)CCc1ccccc1 ZINC001459392597 1062122976 /nfs/dbraw/zinc/12/29/76/1062122976.db2.gz OHVHIOBEMWXRTD-ICSRJNTNSA-N 1 0 301.474 4.312 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@H]1C[C@H](OC)C12CCC2)c1ccc(F)c(F)c1 ZINC001474450716 1062130219 /nfs/dbraw/zinc/13/02/19/1062130219.db2.gz VUIJQXADAKWYBK-ULQDDVLXSA-N 1 0 307.384 4.129 20 30 DIEDRO CCCCCCC[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC001459413670 1062134028 /nfs/dbraw/zinc/13/40/28/1062134028.db2.gz OAJDTKJRIMLXRP-UHFFFAOYSA-N 1 0 308.510 4.071 20 30 DIEDRO C=CC[C@H]1N(C(=O)CCC[NH+](CCC)CCC)CCCC1(C)C ZINC001467609334 1062151260 /nfs/dbraw/zinc/15/12/60/1062151260.db2.gz NPHOBWCPTJZYSR-GOSISDBHSA-N 1 0 322.537 4.482 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@H+](C2CC2)C2CCCC2)cc1 ZINC001459469715 1062159916 /nfs/dbraw/zinc/15/99/16/1062159916.db2.gz YGWHPPCYGNFZBH-UHFFFAOYSA-N 1 0 307.359 4.464 20 30 DIEDRO Fc1ccc(C#CC[N@@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC001459502548 1062168394 /nfs/dbraw/zinc/16/83/94/1062168394.db2.gz MBXRQFQMBNSWIJ-UHFFFAOYSA-N 1 0 311.375 4.229 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC001459501892 1062168541 /nfs/dbraw/zinc/16/85/41/1062168541.db2.gz KMLTWGGGERTLCO-UHFFFAOYSA-N 1 0 308.400 4.418 20 30 DIEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001459496245 1062170186 /nfs/dbraw/zinc/17/01/86/1062170186.db2.gz YYTGKZIWMRYHKO-CYBMUJFWSA-N 1 0 308.372 4.172 20 30 DIEDRO N#CC1CCC(C[N@H+](Cc2ccc(F)cc2)CC2CC2)CC1 ZINC001459506481 1062173287 /nfs/dbraw/zinc/17/32/87/1062173287.db2.gz YUSPWCCLYZDEQZ-UHFFFAOYSA-N 1 0 300.421 4.368 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C12CCCCC2 ZINC001474497455 1062176170 /nfs/dbraw/zinc/17/61/70/1062176170.db2.gz KSLNEBXFBXFGHM-VAMGGRTRSA-N 1 0 324.468 4.263 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1nc2ccccc2s1 ZINC001474506317 1062187382 /nfs/dbraw/zinc/18/73/82/1062187382.db2.gz TZMILNQGDSCIAI-UHFFFAOYSA-N 1 0 321.449 4.117 20 30 DIEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001459532143 1062188807 /nfs/dbraw/zinc/18/88/07/1062188807.db2.gz MFOKQZVGQSWLET-RTBURBONSA-N 1 0 317.448 4.093 20 30 DIEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC001459532119 1062189548 /nfs/dbraw/zinc/18/95/48/1062189548.db2.gz MFOKQZVGQSWLET-OALUTQOASA-N 1 0 317.448 4.093 20 30 DIEDRO C#C[C@H](CC)[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC001474509366 1062192159 /nfs/dbraw/zinc/19/21/59/1062192159.db2.gz SLEWJIWUIPBKAG-QGZVFWFLSA-N 1 0 313.391 4.120 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC001474514855 1062198184 /nfs/dbraw/zinc/19/81/84/1062198184.db2.gz JCCZXGVABYDSKC-HNNXBMFYSA-N 1 0 300.446 4.426 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCC[C@H]1c1ccccc1Cl ZINC001474520224 1062200893 /nfs/dbraw/zinc/20/08/93/1062200893.db2.gz AVBQHWCVNGJVAX-HFTRVMKXSA-N 1 0 307.865 4.283 20 30 DIEDRO C=C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC001254622244 1062201525 /nfs/dbraw/zinc/20/15/25/1062201525.db2.gz YGCSYFLSAFMIPP-HXUWFJFHSA-N 1 0 310.416 4.311 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)cc1 ZINC001474517862 1062202871 /nfs/dbraw/zinc/20/28/71/1062202871.db2.gz XFFINIXGRBHRKA-GOSISDBHSA-N 1 0 307.437 4.146 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)C1CCN(c2ccc(F)cc2)CC1 ZINC001254630884 1062205365 /nfs/dbraw/zinc/20/53/65/1062205365.db2.gz VCAINSPEXNMZTH-UHFFFAOYSA-N 1 0 324.443 4.483 20 30 DIEDRO Cc1cc2c(s1)N([C@@H]1CC[C@H](C#N)C1)c1ccccc1NC2=N ZINC001254636702 1062207671 /nfs/dbraw/zinc/20/76/71/1062207671.db2.gz LIEXPDJQMFTXEI-QWHCGFSZSA-N 1 0 322.437 4.237 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)[C@H](C)c1ccc(CC(C)C)cc1 ZINC001474523525 1062209750 /nfs/dbraw/zinc/20/97/50/1062209750.db2.gz ZNYWAFRZLFUQKD-ABSDTBQOSA-N 1 0 303.490 4.294 20 30 DIEDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC001459561537 1062212126 /nfs/dbraw/zinc/21/21/26/1062212126.db2.gz NIOSHNSBPSYACE-CVEARBPZSA-N 1 0 308.878 4.318 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001474528890 1062212370 /nfs/dbraw/zinc/21/23/70/1062212370.db2.gz ZGQVHJBUEHNRMV-UHFFFAOYSA-N 1 0 311.425 4.273 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2cncc(C#N)c2)cc1 ZINC001459561189 1062213396 /nfs/dbraw/zinc/21/33/96/1062213396.db2.gz MKTOVTITWUIQFG-VQTJNVASSA-N 1 0 305.425 4.030 20 30 DIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC001459561553 1062213583 /nfs/dbraw/zinc/21/35/83/1062213583.db2.gz NIOSHNSBPSYACE-JKSUJKDBSA-N 1 0 308.878 4.318 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C1 ZINC001254650290 1062213361 /nfs/dbraw/zinc/21/33/61/1062213361.db2.gz ZDBYCYSVQKCTHH-GDBMZVCRSA-N 1 0 304.384 4.373 20 30 DIEDRO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254646696 1062213862 /nfs/dbraw/zinc/21/38/62/1062213862.db2.gz CFDXHSLSNCVCII-DZGCQCFKSA-N 1 0 310.363 4.308 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2c3ccccc3CCc3ccccc32)C1 ZINC001254645938 1062214207 /nfs/dbraw/zinc/21/42/07/1062214207.db2.gz IFZVTDOFKQGKIN-QFBILLFUSA-N 1 0 316.448 4.199 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001254646917 1062214553 /nfs/dbraw/zinc/21/45/53/1062214553.db2.gz DCHIBBQNTJMGGD-HOCLYGCPSA-N 1 0 322.374 4.310 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C1 ZINC001254650292 1062215599 /nfs/dbraw/zinc/21/55/99/1062215599.db2.gz ZDBYCYSVQKCTHH-GOEBONIOSA-N 1 0 304.384 4.373 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3C(F)(F)F)CCC2)C1 ZINC001254659110 1062220172 /nfs/dbraw/zinc/22/01/72/1062220172.db2.gz ZIQSEFPGLXOSHI-DZGCQCFKSA-N 1 0 322.374 4.452 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC001254654863 1062220656 /nfs/dbraw/zinc/22/06/56/1062220656.db2.gz XUKXINGEJMVZGS-BYCMXARLSA-N 1 0 307.235 4.182 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC001254657624 1062220798 /nfs/dbraw/zinc/22/07/98/1062220798.db2.gz QXQNZIKJFJBYNG-GDBMZVCRSA-N 1 0 322.374 4.452 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001254659693 1062220815 /nfs/dbraw/zinc/22/08/15/1062220815.db2.gz BFYHYNWPXSJADL-WWGRRREGSA-N 1 0 319.246 4.278 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccc(F)cc3Cl)CC2)C1 ZINC001254665925 1062222194 /nfs/dbraw/zinc/22/21/94/1062222194.db2.gz RQJDPULKQXITLG-OCCSQVGLSA-N 1 0 322.811 4.015 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(Oc3ccc(F)cc3Cl)CC2)C1 ZINC001254665924 1062223717 /nfs/dbraw/zinc/22/37/17/1062223717.db2.gz RQJDPULKQXITLG-JSGCOSHPSA-N 1 0 322.811 4.015 20 30 DIEDRO Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@H]1CC[C@@H](C#N)C1 ZINC001254672428 1062224582 /nfs/dbraw/zinc/22/45/82/1062224582.db2.gz AYGRXVDQOKWKFC-WBVHZDCISA-N 1 0 307.441 4.282 20 30 DIEDRO CCC[N@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254671332 1062227377 /nfs/dbraw/zinc/22/73/77/1062227377.db2.gz QPGJMJNAMNTQNU-CZUORRHYSA-N 1 0 321.262 4.353 20 30 DIEDRO N#C[C@@H]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)C1 ZINC001254673495 1062227648 /nfs/dbraw/zinc/22/76/48/1062227648.db2.gz LNIMHTDVTJRPAG-UKRRQHHQSA-N 1 0 311.404 4.112 20 30 DIEDRO CCC[N@H+](Cc1cccc(Br)c1)[C@H]1CC[C@@H](C#N)C1 ZINC001254671331 1062227961 /nfs/dbraw/zinc/22/79/61/1062227961.db2.gz QPGJMJNAMNTQNU-CJNGLKHVSA-N 1 0 321.262 4.353 20 30 DIEDRO CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)[C@H]1CC[C@H](C#N)C1 ZINC001254674382 1062228065 /nfs/dbraw/zinc/22/80/65/1062228065.db2.gz YEPYRHITURATQU-NDXORKPFSA-N 1 0 322.452 4.276 20 30 DIEDRO N#Cc1ccc(OCCC[NH+]2CCC(C3CCCC3)CC2)cc1 ZINC001459592219 1062228886 /nfs/dbraw/zinc/22/88/86/1062228886.db2.gz CUSXTWFEWRBFMM-UHFFFAOYSA-N 1 0 312.457 4.229 20 30 DIEDRO N#Cc1cccc(OCCC[NH+]2CCC(C3CCCC3)CC2)c1 ZINC001459593335 1062233727 /nfs/dbraw/zinc/23/37/27/1062233727.db2.gz DPHYNBWCULZHAO-UHFFFAOYSA-N 1 0 312.457 4.229 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)c1ccc(F)cc1 ZINC001474544510 1062238698 /nfs/dbraw/zinc/23/86/98/1062238698.db2.gz PWQKGKIXGHWVRL-LYBXBRPPSA-N 1 0 315.432 4.360 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+]Cc2cccc(F)c2C#N)c(C)c1 ZINC001474546434 1062241846 /nfs/dbraw/zinc/24/18/46/1062241846.db2.gz ZNNUCEYWRDPVEX-UHFFFAOYSA-N 1 0 310.416 4.382 20 30 DIEDRO CC[C@@H]1CCCC[C@@H]1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001474555643 1062256868 /nfs/dbraw/zinc/25/68/68/1062256868.db2.gz ZVNXZDDUDBGQDX-WOJBJXKFSA-N 1 0 314.473 4.223 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C)c1ccc(Cl)cc1 ZINC001474558240 1062260894 /nfs/dbraw/zinc/26/08/94/1062260894.db2.gz YHHZMRTZLKNJBA-YESZJQIVSA-N 1 0 305.849 4.196 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C)c1ccc(Cl)cc1 ZINC001474558238 1062261338 /nfs/dbraw/zinc/26/13/38/1062261338.db2.gz YHHZMRTZLKNJBA-GVDBMIGSSA-N 1 0 305.849 4.196 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)c1ccc(Cl)cc1 ZINC001474558237 1062262700 /nfs/dbraw/zinc/26/27/00/1062262700.db2.gz YHHZMRTZLKNJBA-BBWFWOEESA-N 1 0 305.849 4.196 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001459633794 1062272734 /nfs/dbraw/zinc/27/27/34/1062272734.db2.gz CCITVVXSMMTSJZ-IBGZPJMESA-N 1 0 310.416 4.459 20 30 DIEDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC001474572877 1062277829 /nfs/dbraw/zinc/27/78/29/1062277829.db2.gz KVNPBTJEXDWMQG-MRXNPFEDSA-N 1 0 322.427 4.444 20 30 DIEDRO N#CCC[N@@H+]([C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)C1CCCCCCC1 ZINC001254950334 1062290009 /nfs/dbraw/zinc/29/00/09/1062290009.db2.gz FBIUTCITOWAPSG-VQFNDLOPSA-N 1 0 302.462 4.073 20 30 DIEDRO C=CC[N@@H+]([C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(C)(C)C ZINC001254987150 1062293553 /nfs/dbraw/zinc/29/35/53/1062293553.db2.gz JCGFONWPQCGNCZ-PMPSAXMXSA-N 1 0 322.493 4.061 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1c1ccccc1 ZINC001459673576 1062295380 /nfs/dbraw/zinc/29/53/80/1062295380.db2.gz VMCBACXNKMUBTH-HNAYVOBHSA-N 1 0 308.400 4.323 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC001474592035 1062304631 /nfs/dbraw/zinc/30/46/31/1062304631.db2.gz TXMCSTGHTDYHAD-QLBOMPFWSA-N 1 0 319.452 4.330 20 30 DIEDRO C#CCCCCCC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001459693217 1062311815 /nfs/dbraw/zinc/31/18/15/1062311815.db2.gz NRLMEVDLGBXHLV-OAQYLSRUSA-N 1 0 306.453 4.477 20 30 DIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC001468402835 1062316279 /nfs/dbraw/zinc/31/62/79/1062316279.db2.gz WAXPAWLVFNVKKC-UHFFFAOYSA-N 1 0 324.465 4.163 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC001459703479 1062319665 /nfs/dbraw/zinc/31/96/65/1062319665.db2.gz DTECGMLEEINPRW-MRXNPFEDSA-N 1 0 303.471 4.369 20 30 DIEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001459710964 1062327403 /nfs/dbraw/zinc/32/74/03/1062327403.db2.gz SLTCOAIWMUYVND-QFBILLFUSA-N 1 0 300.446 4.228 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)cs1 ZINC001474613054 1062329547 /nfs/dbraw/zinc/32/95/47/1062329547.db2.gz VVYITQDUAWDOSN-UHFFFAOYSA-N 1 0 322.477 4.391 20 30 DIEDRO C=CCCCC[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001459717033 1062331238 /nfs/dbraw/zinc/33/12/38/1062331238.db2.gz GAKBZNDKNCTNAB-UHFFFAOYSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC001474619070 1062339623 /nfs/dbraw/zinc/33/96/23/1062339623.db2.gz MMZZGRLKUUSOAB-ZDUSSCGKSA-N 1 0 309.837 4.145 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC001474623277 1062345043 /nfs/dbraw/zinc/34/50/43/1062345043.db2.gz MLRKCAKJDFPBGU-CGTJXYLNSA-N 1 0 317.473 4.446 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC001255155626 1062346199 /nfs/dbraw/zinc/34/61/99/1062346199.db2.gz RSFAGHORAZPSLS-DZGCQCFKSA-N 1 0 307.235 4.108 20 30 DIEDRO C=CCCCCC[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC001459739798 1062352599 /nfs/dbraw/zinc/35/25/99/1062352599.db2.gz HNJMVJNMEUCIKB-GOSISDBHSA-N 1 0 312.498 4.262 20 30 DIEDRO CCCCCCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255207103 1062357231 /nfs/dbraw/zinc/35/72/31/1062357231.db2.gz IHGGFOHGMAROFF-FVQHAEBGSA-N 1 0 310.482 4.041 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001459752362 1062363711 /nfs/dbraw/zinc/36/37/11/1062363711.db2.gz GVTQLRAOBWJCKV-DLBZAZTESA-N 1 0 300.446 4.261 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001474648234 1062376981 /nfs/dbraw/zinc/37/69/81/1062376981.db2.gz ZWSGEORSQBFEER-AWEZNQCLSA-N 1 0 314.454 4.217 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCC(C)(C)CC1)C2 ZINC001255304165 1062383504 /nfs/dbraw/zinc/38/35/04/1062383504.db2.gz HKYUSPGYFPPXHI-ICSRJNTNSA-N 1 0 321.505 4.029 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCC(C)(C)CC1)CCO2 ZINC001255306621 1062387605 /nfs/dbraw/zinc/38/76/05/1062387605.db2.gz GDOXQHMRMAZZQZ-FXAWDEMLSA-N 1 0 321.505 4.029 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC001474660671 1062392570 /nfs/dbraw/zinc/39/25/70/1062392570.db2.gz RVIBDUPFEBUQNS-OAHLLOKOSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1sccc1Br ZINC001474683918 1062415794 /nfs/dbraw/zinc/41/57/94/1062415794.db2.gz BLWXIKICUXWMAF-NSHDSACASA-N 1 0 302.281 4.388 20 30 DIEDRO C=CCCC[C@@H]([NH2+][C@H](C)[C@H]1COC(C)(C)O1)c1ccccc1 ZINC001474685747 1062416131 /nfs/dbraw/zinc/41/61/31/1062416131.db2.gz ACZDPCXVDDCCSG-KBAYOESNSA-N 1 0 303.446 4.214 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@H](C)[C@H]1COC(C)(C)O1)c1ccccc1 ZINC001474685745 1062416314 /nfs/dbraw/zinc/41/63/14/1062416314.db2.gz ACZDPCXVDDCCSG-BPQIPLTHSA-N 1 0 303.446 4.214 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)cc2C)c1 ZINC001459814377 1062420123 /nfs/dbraw/zinc/42/01/23/1062420123.db2.gz NJGGSNZAQJIKNN-BTYIYWSLSA-N 1 0 320.436 4.458 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001474697593 1062427471 /nfs/dbraw/zinc/42/74/71/1062427471.db2.gz ZRPJGXBWMMYWES-IBGZPJMESA-N 1 0 324.509 4.216 20 30 DIEDRO CSc1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1C#N ZINC001474704623 1062431204 /nfs/dbraw/zinc/43/12/04/1062431204.db2.gz FGBJYZKSWYOEFU-INIZCTEOSA-N 1 0 308.450 4.100 20 30 DIEDRO CC(C)CC[C@H]([NH2+]CCOc1cccc(C#N)c1)C(C)(C)C ZINC001459838943 1062437683 /nfs/dbraw/zinc/43/76/83/1062437683.db2.gz UZHZYYSBCVKGHB-SFHVURJKSA-N 1 0 302.462 4.378 20 30 DIEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001459839340 1062438182 /nfs/dbraw/zinc/43/81/82/1062438182.db2.gz HDSCCBZQVLRIRN-HZPDHXFCSA-N 1 0 303.446 4.183 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC001459841624 1062441804 /nfs/dbraw/zinc/44/18/04/1062441804.db2.gz LLBBUCDZHMSGQP-HNNXBMFYSA-N 1 0 315.388 4.471 20 30 DIEDRO C#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001474730969 1062451453 /nfs/dbraw/zinc/45/14/53/1062451453.db2.gz AZTRPMAGSSNMPK-GOSISDBHSA-N 1 0 324.855 4.398 20 30 DIEDRO Cc1cc([C@@H]([NH2+]CCOc2cccc(C#N)c2)C2CC2)ccc1F ZINC001459871756 1062460563 /nfs/dbraw/zinc/46/05/63/1062460563.db2.gz RMVVRNVKZZGKNJ-FQEVSTJZSA-N 1 0 324.399 4.126 20 30 DIEDRO C[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC001459867644 1062460721 /nfs/dbraw/zinc/46/07/21/1062460721.db2.gz XBWLSKSYDJDDGN-BTYIYWSLSA-N 1 0 316.404 4.096 20 30 DIEDRO COc1ccc(C[C@H](C)C[N@H+](C)CC2CCC(C#N)CC2)cc1 ZINC001459873846 1062463190 /nfs/dbraw/zinc/46/31/90/1062463190.db2.gz NGRWCKILAGUDGZ-IVMQYODDSA-N 1 0 314.473 4.136 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001255509555 1062467492 /nfs/dbraw/zinc/46/74/92/1062467492.db2.gz NANFLSGRONNUAE-SEEARECTSA-N 1 0 308.347 4.256 20 30 DIEDRO N#CCC1(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)CC1 ZINC001459882144 1062468462 /nfs/dbraw/zinc/46/84/62/1062468462.db2.gz GWTRSTQVGXMUKW-LJQANCHMSA-N 1 0 308.400 4.393 20 30 DIEDRO CCCCCCCC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC001459882801 1062469148 /nfs/dbraw/zinc/46/91/48/1062469148.db2.gz OGEXLBPTQJXNEH-UHFFFAOYSA-N 1 0 306.469 4.304 20 30 DIEDRO FC[C@@]1(C(F)(F)F)CC[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255517209 1062469736 /nfs/dbraw/zinc/46/97/36/1062469736.db2.gz VPNUDFRGYOSGHG-ILDUYXDCSA-N 1 0 321.280 4.331 20 30 DIEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC001459907044 1062489933 /nfs/dbraw/zinc/48/99/33/1062489933.db2.gz QWNJLSQTJVFFDT-HXUWFJFHSA-N 1 0 308.400 4.295 20 30 DIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)ccc1C(F)(F)F ZINC001255636096 1062492364 /nfs/dbraw/zinc/49/23/64/1062492364.db2.gz KVLOPHJOBUEOLO-ZETCQYMHSA-N 1 0 303.221 4.275 20 30 DIEDRO COc1ccccc1C[C@@H]([NH2+]Cc1ccc(C#N)cc1C)C(C)C ZINC001459925821 1062501742 /nfs/dbraw/zinc/50/17/42/1062501742.db2.gz SZLVQMFNNDNRGA-HXUWFJFHSA-N 1 0 322.452 4.232 20 30 DIEDRO Cc1ccc([C@@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)C2)cc1 ZINC001459939498 1062512219 /nfs/dbraw/zinc/51/22/19/1062512219.db2.gz YUZRWCGRAOZOLD-HXUWFJFHSA-N 1 0 320.436 4.125 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001255692201 1062519763 /nfs/dbraw/zinc/51/97/63/1062519763.db2.gz NDFVDRRZLZLBNT-GJZGRUSLSA-N 1 0 308.347 4.258 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001255692200 1062519995 /nfs/dbraw/zinc/51/99/95/1062519995.db2.gz NDFVDRRZLZLBNT-CABCVRRESA-N 1 0 308.347 4.258 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001255692203 1062520547 /nfs/dbraw/zinc/52/05/47/1062520547.db2.gz NDFVDRRZLZLBNT-LSDHHAIUSA-N 1 0 308.347 4.258 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1cc2ccccc2s1 ZINC001459954795 1062521767 /nfs/dbraw/zinc/52/17/67/1062521767.db2.gz AUUHWXZWGWXEAB-CXAGYDPISA-N 1 0 322.433 4.157 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)CC12CCCCC2 ZINC001459984345 1062548078 /nfs/dbraw/zinc/54/80/78/1062548078.db2.gz BVZWOWXTQUGXOO-HNNXBMFYSA-N 1 0 300.421 4.490 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001255728773 1062550930 /nfs/dbraw/zinc/55/09/30/1062550930.db2.gz ZHRWSWBPAUZVTO-CQSZACIVSA-N 1 0 314.429 4.010 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@H](C)CSc2ccc(F)cc2)cc1C ZINC001255736550 1062560542 /nfs/dbraw/zinc/56/05/42/1062560542.db2.gz BIOPZIUTXAIFFO-CQSZACIVSA-N 1 0 316.445 4.329 20 30 DIEDRO C[C@H](CSc1ccc(F)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001255748521 1062571082 /nfs/dbraw/zinc/57/10/82/1062571082.db2.gz QYIFGQHBEPCFJZ-CQSZACIVSA-N 1 0 314.429 4.310 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)Cc1cc(Cl)cc(Cl)c1F ZINC001460029724 1062573038 /nfs/dbraw/zinc/57/30/38/1062573038.db2.gz AYPSXGMGSORWET-UHFFFAOYSA-N 1 0 319.251 4.072 20 30 DIEDRO Cc1ccccc1[C@]1(F)CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC001460025669 1062578555 /nfs/dbraw/zinc/57/85/55/1062578555.db2.gz YRBNGWXSDSRLHD-TVPLGVNVSA-N 1 0 300.421 4.196 20 30 DIEDRO C=CC[C@@H]1[N@H+](CCOc2cccc(OC)c2)CCCC1(C)C ZINC001460027543 1062583721 /nfs/dbraw/zinc/58/37/21/1062583721.db2.gz FZGZZPYXYLFHKF-SFHVURJKSA-N 1 0 303.446 4.141 20 30 DIEDRO Cc1ccc(SC[C@H](C)[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001255769480 1062593328 /nfs/dbraw/zinc/59/33/28/1062593328.db2.gz HMFVKVMSCJPMGR-LUKYLMHMSA-N 1 0 300.471 4.242 20 30 DIEDRO C=CCCCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001460069927 1062614859 /nfs/dbraw/zinc/61/48/59/1062614859.db2.gz JGSMMCFQZDVTIU-QZTJIDSGSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001460069931 1062615915 /nfs/dbraw/zinc/61/59/15/1062615915.db2.gz JGSMMCFQZDVTIU-ZWKOTPCHSA-N 1 0 322.493 4.066 20 30 DIEDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C1(C)C ZINC001460071341 1062615929 /nfs/dbraw/zinc/61/59/29/1062615929.db2.gz AITDFHHKTNUFGN-OALUTQOASA-N 1 0 314.473 4.249 20 30 DIEDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC001460077304 1062618477 /nfs/dbraw/zinc/61/84/77/1062618477.db2.gz APIMSCQSXYCJBY-IAGOWNOFSA-N 1 0 302.487 4.252 20 30 DIEDRO C=CCCCC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC001460086574 1062627606 /nfs/dbraw/zinc/62/76/06/1062627606.db2.gz VCIGDKWXRZIAKP-OAHLLOKOSA-N 1 0 302.245 4.363 20 30 DIEDRO Cc1ccccc1[C@@H](C)[N@@H+](Cc1ccncc1C#N)CC(C)C ZINC001460089375 1062627653 /nfs/dbraw/zinc/62/76/53/1062627653.db2.gz RCTWDWBXPWYVNV-QGZVFWFLSA-N 1 0 307.441 4.481 20 30 DIEDRO COc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1Cl ZINC001460089747 1062627921 /nfs/dbraw/zinc/62/79/21/1062627921.db2.gz MSOVIVSLJHVPHJ-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001460136019 1062655028 /nfs/dbraw/zinc/65/50/28/1062655028.db2.gz OQUQYINCFCBWFR-LJQANCHMSA-N 1 0 300.446 4.228 20 30 DIEDRO N#CC1(c2ccccc2F)CC[NH+](C2CCCCCC2)CC1 ZINC001255894337 1062659860 /nfs/dbraw/zinc/65/98/60/1062659860.db2.gz RKANUIYQXOLCFN-UHFFFAOYSA-N 1 0 300.421 4.406 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001460143608 1062660466 /nfs/dbraw/zinc/66/04/66/1062660466.db2.gz WAYRIMQBXXLDHI-HIFRSBDPSA-N 1 0 308.263 4.278 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC001460161410 1062671958 /nfs/dbraw/zinc/67/19/58/1062671958.db2.gz LJKQAEIZFZEXHX-JXXFODFXSA-N 1 0 320.436 4.333 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCOc1ccccc1C#N ZINC001460164759 1062672215 /nfs/dbraw/zinc/67/22/15/1062672215.db2.gz WZBXBVMAWDXVDV-UWVAXJGDSA-N 1 0 320.436 4.204 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460199096 1062696295 /nfs/dbraw/zinc/69/62/95/1062696295.db2.gz WWNYQGSXPRRWNH-VQTJNVASSA-N 1 0 320.436 4.236 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001460220209 1062703464 /nfs/dbraw/zinc/70/34/64/1062703464.db2.gz ZYKMZTOMXBZGGG-HNNXBMFYSA-N 1 0 313.828 4.359 20 30 DIEDRO [NH2+]=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(Cl)cn1 ZINC001256107263 1062705843 /nfs/dbraw/zinc/70/58/43/1062705843.db2.gz PNZPOWUAHVITER-GOEBONIOSA-N 1 0 313.832 4.167 20 30 DIEDRO C=CCCCCC[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC001460224726 1062707377 /nfs/dbraw/zinc/70/73/77/1062707377.db2.gz NBQMPFNRRVFAIF-LJQANCHMSA-N 1 0 323.427 4.457 20 30 DIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001256173834 1062740308 /nfs/dbraw/zinc/74/03/08/1062740308.db2.gz UGZGWIOOEQILRB-HEHGZKQESA-N 1 0 321.262 4.052 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH+]1CCC(CC#N)CC1 ZINC001256188463 1062744474 /nfs/dbraw/zinc/74/44/74/1062744474.db2.gz SMVRZTKGMDPHON-CYBMUJFWSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C1(CC#N)CCCC1 ZINC001256188103 1062747816 /nfs/dbraw/zinc/74/78/16/1062747816.db2.gz ZQAAZXHSTSNYAF-CYBMUJFWSA-N 1 0 321.262 4.196 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)C1CCCCC1 ZINC001460279001 1062748994 /nfs/dbraw/zinc/74/89/94/1062748994.db2.gz PHAAPDBFVBVGDI-LBPRGKRZSA-N 1 0 321.262 4.379 20 30 DIEDRO CC1(C)c2ccccc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001460280717 1062753126 /nfs/dbraw/zinc/75/31/26/1062753126.db2.gz VKKKZPDEOXLPIX-UHFFFAOYSA-N 1 0 320.436 4.121 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CC2CCCC2)cc1 ZINC001460316634 1062776874 /nfs/dbraw/zinc/77/68/74/1062776874.db2.gz PTEXKYSUKAZHRJ-HXUWFJFHSA-N 1 0 324.468 4.041 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001460334161 1062785990 /nfs/dbraw/zinc/78/59/90/1062785990.db2.gz OANZQWMVQIOYBK-HUUCEWRRSA-N 1 0 308.400 4.420 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001460347313 1062798583 /nfs/dbraw/zinc/79/85/83/1062798583.db2.gz WQSVROHURKQTCU-JKSUJKDBSA-N 1 0 312.498 4.334 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC001477187415 1062801813 /nfs/dbraw/zinc/80/18/13/1062801813.db2.gz HAALUEQHTDHELZ-GOSISDBHSA-N 1 0 315.461 4.058 20 30 DIEDRO C#CCOCC[NH2+][C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001460355627 1062802486 /nfs/dbraw/zinc/80/24/86/1062802486.db2.gz JICXHEOEXNALIH-QZTJIDSGSA-N 1 0 323.436 4.127 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC001477187416 1062803838 /nfs/dbraw/zinc/80/38/38/1062803838.db2.gz HAALUEQHTDHELZ-SFHVURJKSA-N 1 0 315.461 4.058 20 30 DIEDRO C#CCOCC[NH2+][C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001460355628 1062805738 /nfs/dbraw/zinc/80/57/38/1062805738.db2.gz JICXHEOEXNALIH-ROUUACIJSA-N 1 0 323.436 4.127 20 30 DIEDRO C=CCCCCC[NH+]1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC001460371336 1062818955 /nfs/dbraw/zinc/81/89/55/1062818955.db2.gz ZGRNIVJTZVOFHN-DOTOQJQBSA-N 1 0 317.477 4.194 20 30 DIEDRO CCOC1CCC([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)CC1 ZINC001256432511 1062818969 /nfs/dbraw/zinc/81/89/69/1062818969.db2.gz MBYLQMSLDLOUQC-CTWPCTMYSA-N 1 0 300.446 4.193 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C1CCC(OCC)CC1 ZINC001256431771 1062819166 /nfs/dbraw/zinc/81/91/66/1062819166.db2.gz KBQHFIRAUQILJB-KLAILNCOSA-N 1 0 303.446 4.250 20 30 DIEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C1CC(C)(C)CC(C)(C)C1 ZINC001460394430 1062831556 /nfs/dbraw/zinc/83/15/56/1062831556.db2.gz XWRKNTLKDKDJSS-SFHVURJKSA-N 1 0 314.473 4.128 20 30 DIEDRO C=CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(C)(C)C ZINC001256491094 1062837640 /nfs/dbraw/zinc/83/76/40/1062837640.db2.gz VOODKVLBBZQRBM-HUUCEWRRSA-N 1 0 310.482 4.061 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)oc2cc(C)ccc12 ZINC001460414685 1062843571 /nfs/dbraw/zinc/84/35/71/1062843571.db2.gz YQYQXBKLKDBCRX-CRAIPNDOSA-N 1 0 311.425 4.326 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)oc2cc(C)ccc12 ZINC001460414694 1062846724 /nfs/dbraw/zinc/84/67/24/1062846724.db2.gz YQYQXBKLKDBCRX-QAPCUYQASA-N 1 0 311.425 4.326 20 30 DIEDRO CC(C)([NH2+]Cc1cc(-c2ccccc2)no1)c1cccc(C#N)c1 ZINC001460419780 1062847698 /nfs/dbraw/zinc/84/76/98/1062847698.db2.gz RCPWGZCFSFKYLY-UHFFFAOYSA-N 1 0 317.392 4.238 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]CCCCCCS)CCN1Cc1ccccc1 ZINC001256538988 1062863621 /nfs/dbraw/zinc/86/36/21/1062863621.db2.gz UOYRYQNPKINLGE-MJGOQNOKSA-N 1 0 320.546 4.119 20 30 DIEDRO C=C(Cl)C[N@@H+]([C@H](CC)CO)C1CCC(C(C)(C)C)CC1 ZINC001460496968 1062884921 /nfs/dbraw/zinc/88/49/21/1062884921.db2.gz CSLKJONQEVHPPN-HWOWSKLDSA-N 1 0 301.902 4.417 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001460517314 1062892973 /nfs/dbraw/zinc/89/29/73/1062892973.db2.gz PPJUCQYTYGSCJC-OAHLLOKOSA-N 1 0 313.844 4.264 20 30 DIEDRO CCCCCCC[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC001460570678 1062919234 /nfs/dbraw/zinc/91/92/34/1062919234.db2.gz PWNKUXCGWOFRFX-UHFFFAOYSA-N 1 0 316.489 4.160 20 30 DIEDRO N#CCSCCC[NH+]1CCC(Cc2ccccc2Cl)CC1 ZINC001460646571 1062956746 /nfs/dbraw/zinc/95/67/46/1062956746.db2.gz ZPPORTGYIOWGEU-UHFFFAOYSA-N 1 0 322.905 4.241 20 30 DIEDRO CCCCCCCC[N@@H+]1CCN[C@H](c2cccc(OC)c2)C1 ZINC001460664779 1062968294 /nfs/dbraw/zinc/96/82/94/1062968294.db2.gz IPFNGAGFDHUWNA-IBGZPJMESA-N 1 0 304.478 4.002 20 30 DIEDRO N#CC12CCC([NH2+][C@@H]3CCO[C@@H](c4ccccc4)C3)(CC1)CC2 ZINC001256800889 1062988061 /nfs/dbraw/zinc/98/80/61/1062988061.db2.gz RTYXUUXASAKZNO-UVHRUJRTSA-N 1 0 310.441 4.113 20 30 DIEDRO C#CC(CC)(CC)[NH2+][C@@H](C)Cc1ccccc1Br ZINC001256825514 1063005078 /nfs/dbraw/zinc/00/50/78/1063005078.db2.gz SGYZCDUHLPEWMU-ZDUSSCGKSA-N 1 0 308.263 4.162 20 30 DIEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCC(CC)CC1)C2 ZINC001256871266 1063026954 /nfs/dbraw/zinc/02/69/54/1063026954.db2.gz LLADZCRILNKQHF-GUMHCPJTSA-N 1 0 321.505 4.029 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)c1cccc(C#N)c1 ZINC001460749431 1063034883 /nfs/dbraw/zinc/03/48/83/1063034883.db2.gz RRXGWVZDKXQAAX-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO N#CC1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001256955919 1063058400 /nfs/dbraw/zinc/05/84/00/1063058400.db2.gz DIHZDKOQJFBORO-UHFFFAOYSA-N 1 0 300.299 4.016 20 30 DIEDRO N#CC1CCC([NH2+][C@H](c2ccccc2)[C@@H](N)c2ccccc2)CC1 ZINC001256959377 1063058503 /nfs/dbraw/zinc/05/85/03/1063058503.db2.gz CBLHFECERWVWCZ-APDVGNCJSA-N 1 0 319.452 4.100 20 30 DIEDRO N#CC1CCC([NH2+][C@@H](c2ncccc2C(F)(F)F)C2CC2)CC1 ZINC001256962569 1063060329 /nfs/dbraw/zinc/06/03/29/1063060329.db2.gz OXPXCBKLESYJFF-ABIUDSBCSA-N 1 0 323.362 4.223 20 30 DIEDRO COc1cc(Cl)cc([C@H](C)[NH2+]C2CCC(C#N)CC2)c1OC ZINC001256960128 1063061408 /nfs/dbraw/zinc/06/14/08/1063061408.db2.gz HYNPBTJHVKWONM-DCBWTQNWSA-N 1 0 322.836 4.090 20 30 DIEDRO N#CC1CCC([NH2+]CCc2ccc(Oc3ccccc3)nc2)CC1 ZINC001256963127 1063063050 /nfs/dbraw/zinc/06/30/50/1063063050.db2.gz BTJYLXXIIHHOLG-UHFFFAOYSA-N 1 0 321.424 4.088 20 30 DIEDRO COc1cccc(CC2CC[NH+](C3CCC(C#N)CC3)CC2)c1 ZINC001256973578 1063064577 /nfs/dbraw/zinc/06/45/77/1063064577.db2.gz TWCWBHXSTHOXSB-UHFFFAOYSA-N 1 0 312.457 4.032 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1CCOc1ccccc1Br ZINC001460887437 1063118114 /nfs/dbraw/zinc/11/81/14/1063118114.db2.gz SPVXVEXJFGZKEB-AWEZNQCLSA-N 1 0 324.262 4.259 20 30 DIEDRO COC1CCC([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257010932 1063076776 /nfs/dbraw/zinc/07/67/76/1063076776.db2.gz NFTJAIYWSQMSOI-UHFFFAOYSA-N 1 0 312.457 4.132 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CC3CC(F)(F)C3)CC2)cc1 ZINC001257010321 1063078112 /nfs/dbraw/zinc/07/81/12/1063078112.db2.gz YGZBJYBKLXDCGZ-UHFFFAOYSA-N 1 0 304.384 4.219 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCC[C@@H](F)C3)CC2)cc1 ZINC001257009994 1063078369 /nfs/dbraw/zinc/07/83/69/1063078369.db2.gz SBRREPYORBBRQV-JWHDQAAXSA-N 1 0 300.421 4.455 20 30 DIEDRO C[N@H+](Cc1ccccn1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015634 1063079452 /nfs/dbraw/zinc/07/94/52/1063079452.db2.gz MMBAFYDNYVPLHE-UHFFFAOYSA-N 1 0 305.425 4.111 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@H]3CCCC3(F)F)CC2)cc1 ZINC001257012606 1063079676 /nfs/dbraw/zinc/07/96/76/1063079676.db2.gz KYEKFDMYGZVYEZ-JCYILVPMSA-N 1 0 304.384 4.362 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CC#Cc3ccccc3)CC2)cc1 ZINC001257012944 1063080908 /nfs/dbraw/zinc/08/09/08/1063080908.db2.gz ULCYQJRPNPBRTD-UHFFFAOYSA-N 1 0 314.432 4.226 20 30 DIEDRO N#Cc1ccc(C2CCC([N@H+]3CCC(F)(F)[C@@H](F)C3)CC2)cc1 ZINC001257016400 1063081519 /nfs/dbraw/zinc/08/15/19/1063081519.db2.gz CCQNUQKJYWGZBI-JCYILVPMSA-N 1 0 322.374 4.264 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CC[C@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC001257017512 1063082673 /nfs/dbraw/zinc/08/26/73/1063082673.db2.gz VKJCUKKEPBSNOM-GOLJUSPKSA-N 1 0 324.468 4.085 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(OCc3ccccc3F)cc2)CCC1 ZINC001460821536 1063084054 /nfs/dbraw/zinc/08/40/54/1063084054.db2.gz ROVJDQIMADJZEB-UHFFFAOYSA-N 1 0 323.411 4.440 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCc4occc4C3)CC2)cc1 ZINC001257019257 1063084853 /nfs/dbraw/zinc/08/48/53/1063084853.db2.gz MIYHSTZKGDMWOV-UHFFFAOYSA-N 1 0 306.409 4.236 20 30 DIEDRO CCO[C@@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257021317 1063085226 /nfs/dbraw/zinc/08/52/26/1063085226.db2.gz SGSLLMVUOWWRHH-SOAGJPPSSA-N 1 0 312.457 4.085 20 30 DIEDRO C=CC1(CC(=O)Nc2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001472485447 1063086527 /nfs/dbraw/zinc/08/65/27/1063086527.db2.gz GDSDKAVLYNLBMP-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO C#CCC1([NH2+]Cc2coc(-c3cccc(OC)c3)n2)CCCCC1 ZINC001460830506 1063088118 /nfs/dbraw/zinc/08/81/18/1063088118.db2.gz QEMXAEFAQVOSCC-UHFFFAOYSA-N 1 0 324.424 4.166 20 30 DIEDRO C#CCC1([NH2+]Cc2c(F)cccc2Br)CCCCC1 ZINC001460833994 1063091762 /nfs/dbraw/zinc/09/17/62/1063091762.db2.gz ZYZOGGSHDVIBRO-UHFFFAOYSA-N 1 0 324.237 4.404 20 30 DIEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001460870526 1063110330 /nfs/dbraw/zinc/11/03/30/1063110330.db2.gz LMTARROCURILCE-INIZCTEOSA-N 1 0 302.468 4.278 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC001460887475 1063118226 /nfs/dbraw/zinc/11/82/26/1063118226.db2.gz VGLNUANUESEOKO-OAHLLOKOSA-N 1 0 319.246 4.251 20 30 DIEDRO C=CCCCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001257142863 1063121751 /nfs/dbraw/zinc/12/17/51/1063121751.db2.gz NWKATZAZVJEMHB-SJORKVTESA-N 1 0 324.509 4.453 20 30 DIEDRO C=C[C@@H]([NH2+][C@@H](C)Cc1ccc(C(=O)OCC)cc1)c1ccccc1 ZINC001257158353 1063124374 /nfs/dbraw/zinc/12/43/74/1063124374.db2.gz WARPLZNRSQBGFW-OXJNMPFZSA-N 1 0 323.436 4.311 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC001460903522 1063126482 /nfs/dbraw/zinc/12/64/82/1063126482.db2.gz XFYWBEHNIGSBCW-UHFFFAOYSA-N 1 0 308.853 4.183 20 30 DIEDRO CC(C)C[C@@H](CNc1cccc(C#N)n1)[NH2+][C@@H](C)c1ccccc1 ZINC001472693301 1063155538 /nfs/dbraw/zinc/15/55/38/1063155538.db2.gz ZKUKTPUTRFCHOZ-LPHOPBHVSA-N 1 0 322.456 4.131 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1 ZINC001460999011 1063175500 /nfs/dbraw/zinc/17/55/00/1063175500.db2.gz ISICRDQVAHZWQR-UHFFFAOYSA-N 1 0 303.327 4.019 20 30 DIEDRO COc1ccc2cc(CC[C@H](C)[NH2+]CC(C)(C)S)ccc2c1 ZINC001257275786 1063176582 /nfs/dbraw/zinc/17/65/82/1063176582.db2.gz WUCGNHKPSGAMON-AWEZNQCLSA-N 1 0 317.498 4.468 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257275366 1063178069 /nfs/dbraw/zinc/17/80/69/1063178069.db2.gz RVOLFINNHDZXQJ-KXBFYZLASA-N 1 0 310.441 4.451 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](C)CCCCCC)C2 ZINC001257369936 1063238587 /nfs/dbraw/zinc/23/85/87/1063238587.db2.gz XLFQGBCEJAQLKT-FHWLQOOXSA-N 1 0 309.494 4.171 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)CCCCCC)C2 ZINC001257369935 1063239469 /nfs/dbraw/zinc/23/94/69/1063239469.db2.gz XLFQGBCEJAQLKT-CEXWTWQISA-N 1 0 309.494 4.171 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)C1 ZINC001461110379 1063258743 /nfs/dbraw/zinc/25/87/43/1063258743.db2.gz BLMSFGZKMCXXND-GDBMZVCRSA-N 1 0 301.430 4.027 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H](CC)CCCC)CCO2 ZINC001257421509 1063268465 /nfs/dbraw/zinc/26/84/65/1063268465.db2.gz OYPWJKLVKNOFNO-GBESFXJTSA-N 1 0 309.494 4.029 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC001257459052 1063287263 /nfs/dbraw/zinc/28/72/63/1063287263.db2.gz LEBDZILFPGGPFR-UHFFFAOYSA-N 1 0 318.848 4.388 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H](C)CCCCC)CCO2 ZINC001257515179 1063321669 /nfs/dbraw/zinc/32/16/69/1063321669.db2.gz OIJWYYUOYFUEBC-GUDVDZBRSA-N 1 0 309.494 4.029 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H](C)CCCCC)CCO2 ZINC001257515177 1063322463 /nfs/dbraw/zinc/32/24/63/1063322463.db2.gz OIJWYYUOYFUEBC-GBESFXJTSA-N 1 0 309.494 4.029 20 30 DIEDRO CCCCCCCCCC[C@@H](C)n1[nH]c(=O)c2c1CC[NH2+]C2 ZINC001257549788 1063329144 /nfs/dbraw/zinc/32/91/44/1063329144.db2.gz DBHBKNPLZMOELH-OAHLLOKOSA-N 1 0 307.482 4.326 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH+]1CCC(C(=O)NC)CC1 ZINC001257550846 1063331792 /nfs/dbraw/zinc/33/17/92/1063331792.db2.gz WMIZSERUYNFTGL-QGZVFWFLSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001257550259 1063331887 /nfs/dbraw/zinc/33/18/87/1063331887.db2.gz LRHWGKRPIUATCM-UXHICEINSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCCCC[C@H](C)NC1(C#N)CC[NH+](C)CC1 ZINC001257550538 1063333042 /nfs/dbraw/zinc/33/30/42/1063333042.db2.gz OMYOXXCBKPTKNK-SFHVURJKSA-N 1 0 307.526 4.483 20 30 DIEDRO CCCCCC(CCCCC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001257550266 1063333794 /nfs/dbraw/zinc/33/37/94/1063333794.db2.gz OXQGIGJSXJBKOJ-UHFFFAOYSA-N 1 0 317.477 4.020 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH+]1CCC(CC#N)CC1 ZINC001257564885 1063339741 /nfs/dbraw/zinc/33/97/41/1063339741.db2.gz OQQHISPZJBFBDM-CYBMUJFWSA-N 1 0 321.262 4.006 20 30 DIEDRO CCc1ccccc1C[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC001461221483 1063344242 /nfs/dbraw/zinc/34/42/42/1063344242.db2.gz XYFZWNNBMKJXAS-LJQANCHMSA-N 1 0 308.425 4.220 20 30 DIEDRO Cc1coc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)c1 ZINC001461230979 1063352737 /nfs/dbraw/zinc/35/27/37/1063352737.db2.gz GHYRYQLPKXLJPE-UHFFFAOYSA-N 1 0 308.406 4.478 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCC[C@H](SCC)C2)cc1 ZINC001461272133 1063381878 /nfs/dbraw/zinc/38/18/78/1063381878.db2.gz CJQZLPKMNPXVQV-HKUYNNGSSA-N 1 0 317.498 4.243 20 30 DIEDRO C=CC[N@@H+](C)C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257771485 1063384180 /nfs/dbraw/zinc/38/41/80/1063384180.db2.gz QGWUMRUARLYRKH-UHFFFAOYSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257801289 1063391256 /nfs/dbraw/zinc/39/12/56/1063391256.db2.gz VHGBGTAHFGHUGA-VQIMIIECSA-N 1 0 322.493 4.112 20 30 DIEDRO C(#Cc1ccccc1)C[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257825438 1063395420 /nfs/dbraw/zinc/39/54/20/1063395420.db2.gz ZGMSOIZDYXAEBM-UHFFFAOYSA-N 1 0 319.448 4.156 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2CCC(OCc3ccccc3)CC2)cc1 ZINC001257824720 1063396231 /nfs/dbraw/zinc/39/62/31/1063396231.db2.gz IMYRAHAEOFQWML-UHFFFAOYSA-N 1 0 319.448 4.286 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](C2CCC(OCc3ccccc3)CC2)C1 ZINC001257833091 1063400156 /nfs/dbraw/zinc/40/01/56/1063400156.db2.gz LUUQSIFWOAGUCD-KKXNLOMOSA-N 1 0 312.457 4.140 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1F ZINC001473112687 1063414243 /nfs/dbraw/zinc/41/42/43/1063414243.db2.gz SGNJEQYWFKDTNE-IBGZPJMESA-N 1 0 308.400 4.295 20 30 DIEDRO Cc1cccc(OCC[N@@H+](C)CC#Cc2ccccc2Cl)c1 ZINC001473113252 1063415925 /nfs/dbraw/zinc/41/59/25/1063415925.db2.gz XRFBMLDKFGMMMU-UHFFFAOYSA-N 1 0 313.828 4.011 20 30 DIEDRO CCC1CCC([N@H+](CCOc2ccccc2C#N)C2CC2)CC1 ZINC001473113278 1063416045 /nfs/dbraw/zinc/41/60/45/1063416045.db2.gz XTSMTQRMJMZQRE-UHFFFAOYSA-N 1 0 312.457 4.370 20 30 DIEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCC(OC(C)C)CC1 ZINC001257882841 1063422332 /nfs/dbraw/zinc/42/23/32/1063422332.db2.gz FHBLZLPCOPCQGS-GZNCHQMQSA-N 1 0 311.469 4.345 20 30 DIEDRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 ZINC001473120596 1063423195 /nfs/dbraw/zinc/42/31/95/1063423195.db2.gz MJTKWWCDFXOHHE-OAHLLOKOSA-N 1 0 323.396 4.276 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cc(Br)ccn3)C[C@H](C1)C2 ZINC001257887279 1063424380 /nfs/dbraw/zinc/42/43/80/1063424380.db2.gz ZXEXZFDLUIVHKK-NNQSOWQGSA-N 1 0 321.262 4.069 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccc(-n4ccnc4)cc3)C[C@H](C1)C2 ZINC001257886920 1063424870 /nfs/dbraw/zinc/42/48/70/1063424870.db2.gz PROATOOBLYZKLH-DFNIBXOVSA-N 1 0 307.441 4.097 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ncccc3C(F)(F)F)C[C@H](C1)C2 ZINC001257886680 1063425194 /nfs/dbraw/zinc/42/51/94/1063425194.db2.gz BCYVNAZUSJCYTI-PBWFPOADSA-N 1 0 310.363 4.325 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccnc(Br)c3)C[C@H](C1)C2 ZINC001257888167 1063425451 /nfs/dbraw/zinc/42/54/51/1063425451.db2.gz AAPLJNJRZLBABJ-YIONKMFJSA-N 1 0 321.262 4.069 20 30 DIEDRO C=C1C[C@@H]2CC(n3cncc3-c3cccc(C[NH3+])c3)C[C@H](C1)C2 ZINC001257890096 1063427509 /nfs/dbraw/zinc/42/75/09/1063427509.db2.gz QFGACFKGJXELTC-JJTKIYQPSA-N 1 0 307.441 4.316 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](c3ccncc3OC)C3CC3)C[C@H](C1)C2 ZINC001257890170 1063428614 /nfs/dbraw/zinc/42/86/14/1063428614.db2.gz RSVLPKHDBLVLOQ-GYYSHVHKSA-N 1 0 312.457 4.266 20 30 DIEDRO C=C1C[C@@H]2CC(n3cncc3-c3ccc(C[NH3+])cc3)C[C@H](C1)C2 ZINC001257889946 1063428624 /nfs/dbraw/zinc/42/86/24/1063428624.db2.gz OSWILZAGGVXCIB-JJTKIYQPSA-N 1 0 307.441 4.316 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CCCc3nc4ccccc4n3C)C[C@H](C1)C2 ZINC001257888346 1063429168 /nfs/dbraw/zinc/42/91/68/1063429168.db2.gz HISYSQAPIIKKEB-JWTNVVGKSA-N 1 0 323.484 4.230 20 30 DIEDRO C=C1C[C@@H]2CC([NH+]3CCC(Oc4cccnc4)CC3)C[C@H](C1)C2 ZINC001257893025 1063431374 /nfs/dbraw/zinc/43/13/74/1063431374.db2.gz KPQSTZPJHINDSC-JWTNVVGKSA-N 1 0 312.457 4.060 20 30 DIEDRO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](N4CCCCC4)[C@@H](F)C3)C[C@H](C1)C2 ZINC001257894444 1063431882 /nfs/dbraw/zinc/43/18/82/1063431882.db2.gz VFEPSAKIXZNZQL-WSCSCYJOSA-N 1 0 320.496 4.020 20 30 DIEDRO C=C1C[C@@H]2CC([N@H+]3C[C@H]4c5ccccc5C(=O)[C@H]4C3)C[C@H](C1)C2 ZINC001257892195 1063432112 /nfs/dbraw/zinc/43/21/12/1063432112.db2.gz VGXZAEWXJLZSAM-PMVJOBDPSA-N 1 0 307.437 4.033 20 30 DIEDRO N#Cc1ccc(OCC[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC001257994543 1063452741 /nfs/dbraw/zinc/45/27/41/1063452741.db2.gz PWGOCNXDSMFVLZ-UHFFFAOYSA-N 1 0 320.436 4.253 20 30 DIEDRO C=CCCCC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC001473153850 1063459021 /nfs/dbraw/zinc/45/90/21/1063459021.db2.gz LNMNYQRIVBFSPY-UHFFFAOYSA-N 1 0 311.429 4.272 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001546268366 1063466844 /nfs/dbraw/zinc/46/68/44/1063466844.db2.gz BQFSEXKLSFNGNX-DNHBRAKOSA-N 1 0 308.510 4.234 20 30 DIEDRO C=CC1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC001473166356 1063469897 /nfs/dbraw/zinc/46/98/97/1063469897.db2.gz TYBZXWNTSCBPNJ-UHFFFAOYSA-N 1 0 313.363 4.372 20 30 DIEDRO C=C[C@@H]([NH2+]C1CCC(CC(=O)OCC)CC1)c1ccccc1 ZINC001258030129 1063470033 /nfs/dbraw/zinc/47/00/33/1063470033.db2.gz CSCBHNBPKMWGKH-VMWRSERWSA-N 1 0 301.430 4.015 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(c2cccnc2)CC1 ZINC001258041104 1063472046 /nfs/dbraw/zinc/47/20/46/1063472046.db2.gz MMIYFCYFJSSRAH-KRWDZBQOSA-N 1 0 303.494 4.389 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC001258040887 1063472281 /nfs/dbraw/zinc/47/22/81/1063472281.db2.gz JOOMXUKXICLYTD-QRFRQXIXSA-N 1 0 316.489 4.345 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001258040541 1063472766 /nfs/dbraw/zinc/47/27/66/1063472766.db2.gz FSGCIIAKLYQFFI-IEBWSBKVSA-N 1 0 316.489 4.240 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@H](CC(=O)OC)c1cccc(O)c1 ZINC001258041108 1063473099 /nfs/dbraw/zinc/47/30/99/1063473099.db2.gz MPDXTYKJHKROOW-CRAIPNDOSA-N 1 0 321.461 4.335 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cn(Cc2ccccn2)cn1 ZINC001258043272 1063475144 /nfs/dbraw/zinc/47/51/44/1063475144.db2.gz NMAJFHBKKLXVBT-QGZVFWFLSA-N 1 0 314.477 4.165 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]CC1(c2ccccn2)CCOCC1 ZINC001258043387 1063475337 /nfs/dbraw/zinc/47/53/37/1063475337.db2.gz OHFHALUHWVAODT-SFHVURJKSA-N 1 0 318.505 4.468 20 30 DIEDRO CCCCCCC[C@@H](C)n1nc(C[NH3+])c2cc(OC)ccc21 ZINC001258043068 1063475741 /nfs/dbraw/zinc/47/57/41/1063475741.db2.gz IMASGZJGROZCCL-CQSZACIVSA-N 1 0 303.450 4.425 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@@H](CC(=O)OC)c1ccc(O)cc1 ZINC001258041484 1063475972 /nfs/dbraw/zinc/47/59/72/1063475972.db2.gz UMHQYGMQEWKYLC-YJBOKZPZSA-N 1 0 321.461 4.335 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001258043452 1063477010 /nfs/dbraw/zinc/47/70/10/1063477010.db2.gz CIKMWLRBDNAZBJ-SJLPKXTDSA-N 1 0 321.509 4.198 20 30 DIEDRO C=CCN1C(=O)CCC12CC[NH+]([C@H](C)CCCCCCC)CC2 ZINC001258044579 1063477453 /nfs/dbraw/zinc/47/74/53/1063477453.db2.gz RHVJLMVDNUOBOI-GOSISDBHSA-N 1 0 320.521 4.378 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(CC)C2=O)C1 ZINC001258046461 1063477479 /nfs/dbraw/zinc/47/74/79/1063477479.db2.gz BHAHLNGJJOKKMM-PKOBYXMFSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001258044634 1063477513 /nfs/dbraw/zinc/47/75/13/1063477513.db2.gz RZPRPYORKWAXGB-IAGOWNOFSA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cn(Cc2ccncc2)cn1 ZINC001258044097 1063477916 /nfs/dbraw/zinc/47/79/16/1063477916.db2.gz XKTXOYAVENSUJY-KRWDZBQOSA-N 1 0 314.477 4.165 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001258047511 1063478830 /nfs/dbraw/zinc/47/88/30/1063478830.db2.gz LICBDBDPXASJPV-ZWKOTPCHSA-N 1 0 321.509 4.100 20 30 DIEDRO CCCCCCC[C@@H](C)[N@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001258044636 1063479026 /nfs/dbraw/zinc/47/90/26/1063479026.db2.gz RZPRPYORKWAXGB-SJORKVTESA-N 1 0 321.509 4.105 20 30 DIEDRO CCCCCCC[C@H](C)[NH+]1CCC2(CCN(C(C)=O)C2)CC1 ZINC001258044247 1063479063 /nfs/dbraw/zinc/47/90/63/1063479063.db2.gz KQUIJKSRCLBKTH-KRWDZBQOSA-N 1 0 308.510 4.070 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2)[C@H]1CC ZINC001258048365 1063481649 /nfs/dbraw/zinc/48/16/49/1063481649.db2.gz UDKXBVHVHPUOFP-SCTDSRPQSA-N 1 0 308.510 4.259 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)o1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001473176101 1063482354 /nfs/dbraw/zinc/48/23/54/1063482354.db2.gz RQZUEUWBUKSZHC-ROUUACIJSA-N 1 0 316.445 4.101 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CCC[C@@]2(C[C@H](OCC)CO2)C1 ZINC001258048647 1063483263 /nfs/dbraw/zinc/48/32/63/1063483263.db2.gz WMVUOMUKXMKQJH-GBESFXJTSA-N 1 0 311.510 4.395 20 30 DIEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC001473178729 1063484324 /nfs/dbraw/zinc/48/43/24/1063484324.db2.gz CKGYJMHJUIGLNI-JKSUJKDBSA-N 1 0 319.876 4.405 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CC(=O)N(C(C)C)C2)CC1 ZINC001258053119 1063484593 /nfs/dbraw/zinc/48/45/93/1063484593.db2.gz WHBJCXZKHSWXOL-GOSISDBHSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+]CCCc1c[nH][nH]c1=O ZINC001258053262 1063485683 /nfs/dbraw/zinc/48/56/83/1063485683.db2.gz XWQMZKZHGBWLHC-MSOLQXFVSA-N 1 0 323.525 4.397 20 30 DIEDRO C=CCCC[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001473181513 1063489739 /nfs/dbraw/zinc/48/97/39/1063489739.db2.gz XNWCDWLTFMEODY-UHFFFAOYSA-N 1 0 308.263 4.379 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)ccc1C#N ZINC001461431315 1063495788 /nfs/dbraw/zinc/49/57/88/1063495788.db2.gz BVYXAOIFAUMJRF-GHTZIAJQSA-N 1 0 304.437 4.368 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)C[C@H](C)CC(C)C)C2 ZINC001258069428 1063496840 /nfs/dbraw/zinc/49/68/40/1063496840.db2.gz HYTVHYDCQNJVLP-YSTOQKLRSA-N 1 0 323.521 4.273 20 30 DIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H](C)CCC=C(C)C)C2 ZINC001258091848 1063514794 /nfs/dbraw/zinc/51/47/94/1063514794.db2.gz BUXBCHFRJFSITH-SLFFLAALSA-N 1 0 321.505 4.195 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CCCC(=O)OCC ZINC001258113699 1063526686 /nfs/dbraw/zinc/52/66/86/1063526686.db2.gz ZLYATHDOVTWVOG-CVEARBPZSA-N 1 0 319.445 4.024 20 30 DIEDRO CCOC(=O)CCC[C@@H](C)[N@H+](CCC#N)C1CCCCCCC1 ZINC001258126845 1063527898 /nfs/dbraw/zinc/52/78/98/1063527898.db2.gz IAADDOSNGDKYMU-QGZVFWFLSA-N 1 0 322.493 4.437 20 30 DIEDRO CCOC(=O)CCC[C@H](C)[N@H+](CCC#N)C1CCCCCCC1 ZINC001258126844 1063528098 /nfs/dbraw/zinc/52/80/98/1063528098.db2.gz IAADDOSNGDKYMU-KRWDZBQOSA-N 1 0 322.493 4.437 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC001461493600 1063535449 /nfs/dbraw/zinc/53/54/49/1063535449.db2.gz VBPBTWAAJNLPKO-UHFFFAOYSA-N 1 0 301.434 4.215 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC001461492933 1063535728 /nfs/dbraw/zinc/53/57/28/1063535728.db2.gz HRMRGKVMDMXPBB-WAYWQWQTSA-N 1 0 322.452 4.120 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OC)c(OCC(C)C)c2)cc1 ZINC001461515335 1063548850 /nfs/dbraw/zinc/54/88/50/1063548850.db2.gz VLJCBMIESDDZFW-UHFFFAOYSA-N 1 0 323.436 4.001 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCC(C)(C)C2CC2)cc1OC ZINC001461537336 1063565678 /nfs/dbraw/zinc/56/56/78/1063565678.db2.gz ALLYMUUDEKUBDW-UHFFFAOYSA-N 1 0 303.446 4.176 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001258228115 1063569560 /nfs/dbraw/zinc/56/95/60/1063569560.db2.gz DJKQSGOBAUKRRG-AEFFLSMTSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCN(c2ccncn2)C1 ZINC001258230853 1063570660 /nfs/dbraw/zinc/57/06/60/1063570660.db2.gz COWFPLBCPRQQSW-QZTJIDSGSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001258232114 1063570678 /nfs/dbraw/zinc/57/06/78/1063570678.db2.gz YSFVUVAZQUDOEH-MRXNPFEDSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001258232307 1063571711 /nfs/dbraw/zinc/57/17/11/1063571711.db2.gz JKYXLVLJRIOFNE-MRXNPFEDSA-N 1 0 310.482 4.090 20 30 DIEDRO Cc1cccc2cc(C[NH2+]CC(C)(C)CC#N)c(Cl)nc12 ZINC001461568007 1063584372 /nfs/dbraw/zinc/58/43/72/1063584372.db2.gz VRXGOVGIMKKDTI-UHFFFAOYSA-N 1 0 301.821 4.226 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H]1CCCC(C)(C)C1)CCO2 ZINC001258291831 1063589329 /nfs/dbraw/zinc/58/93/29/1063589329.db2.gz PUHUQSWJGASHOF-WSTZPKSXSA-N 1 0 321.505 4.029 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)cc(OC)c1O ZINC001461581364 1063590359 /nfs/dbraw/zinc/59/03/59/1063590359.db2.gz RMNXKTSMSBLRML-YQQAZPJKSA-N 1 0 317.473 4.434 20 30 DIEDRO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]Cc1ccc(C#N)o1 ZINC001258307928 1063603028 /nfs/dbraw/zinc/60/30/28/1063603028.db2.gz WMXJKWHEZITXRP-ZDUSSCGKSA-N 1 0 318.442 4.324 20 30 DIEDRO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@H](C#N)C1 ZINC001258313611 1063603555 /nfs/dbraw/zinc/60/35/55/1063603555.db2.gz FSCSIGDWFMJQRW-HUUCEWRRSA-N 1 0 306.475 4.306 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001461597215 1063603338 /nfs/dbraw/zinc/60/33/38/1063603338.db2.gz ZLIHUDSDEGAPHI-ICSRJNTNSA-N 1 0 308.400 4.215 20 30 DIEDRO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001258315085 1063606481 /nfs/dbraw/zinc/60/64/81/1063606481.db2.gz ATHOHZGCBDRKFC-WMLDXEAASA-N 1 0 306.475 4.306 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2c(OC)cccc2OC)CCCC1 ZINC001461632536 1063626424 /nfs/dbraw/zinc/62/64/24/1063626424.db2.gz NCNVYMFCGZRNRT-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC001461635231 1063627975 /nfs/dbraw/zinc/62/79/75/1063627975.db2.gz WZYADAZCEMSGKZ-RDJZCZTQSA-N 1 0 301.430 4.072 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC001461635234 1063628499 /nfs/dbraw/zinc/62/84/99/1063628499.db2.gz WZYADAZCEMSGKZ-WBVHZDCISA-N 1 0 301.430 4.072 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+](C(CCCC)CCCC)C2)C1=O ZINC001258386354 1063629092 /nfs/dbraw/zinc/62/90/92/1063629092.db2.gz XZUBSAHKKNOCQJ-FQEVSTJZSA-N 1 0 320.521 4.236 20 30 DIEDRO COc1cc(C[NH2+]CC2(C#N)CCCCC2)cc2ccccc21 ZINC001461645269 1063632109 /nfs/dbraw/zinc/63/21/09/1063632109.db2.gz MFLRNVDLDWUBCG-UHFFFAOYSA-N 1 0 308.425 4.412 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(OC(F)F)c(OC)c2)CCCC1 ZINC001461644676 1063632533 /nfs/dbraw/zinc/63/25/33/1063632533.db2.gz KDOMROJUCOUWOS-UHFFFAOYSA-N 1 0 311.372 4.275 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC001461657640 1063640663 /nfs/dbraw/zinc/64/06/63/1063640663.db2.gz SLKITSQZXDOZRC-UHFFFAOYSA-N 1 0 310.441 4.495 20 30 DIEDRO COc1ccc(CC[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC001258403294 1063640749 /nfs/dbraw/zinc/64/07/49/1063640749.db2.gz KGOGILPHZLRDTL-MRXNPFEDSA-N 1 0 308.425 4.020 20 30 DIEDRO C=C[C@@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccccc1 ZINC001258418735 1063648085 /nfs/dbraw/zinc/64/80/85/1063648085.db2.gz YSTRAVCQEJKKGJ-HXUWFJFHSA-N 1 0 310.416 4.311 20 30 DIEDRO CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]CC(C)(C)CCC#N ZINC001461681448 1063655186 /nfs/dbraw/zinc/65/51/86/1063655186.db2.gz NBPNKUGJKCXTDJ-QGZVFWFLSA-N 1 0 311.473 4.419 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001461684965 1063656834 /nfs/dbraw/zinc/65/68/34/1063656834.db2.gz SOISIGYWJCIKQV-WCXIOVBPSA-N 1 0 322.493 4.109 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)C2 ZINC001461706614 1063670320 /nfs/dbraw/zinc/67/03/20/1063670320.db2.gz ZCRMVHUUUMQKDI-MRXNPFEDSA-N 1 0 317.219 4.122 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCCOC2)cc1Cl ZINC001461710875 1063673566 /nfs/dbraw/zinc/67/35/66/1063673566.db2.gz PMPPSIILQKTEAI-WBVHZDCISA-N 1 0 323.864 4.200 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC001461729848 1063684157 /nfs/dbraw/zinc/68/41/57/1063684157.db2.gz OZHBBHMJILRFTC-WJYNOGRTSA-N 1 0 313.832 4.012 20 30 DIEDRO C#Cc1cccc(C[NH2+]C2CCN(c3ccccc3Cl)CC2)c1 ZINC001258537858 1063689811 /nfs/dbraw/zinc/68/98/11/1063689811.db2.gz DWISGPDDPNZYSS-UHFFFAOYSA-N 1 0 324.855 4.080 20 30 DIEDRO C#CCC1([NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CCC1 ZINC001461778432 1063710296 /nfs/dbraw/zinc/71/02/96/1063710296.db2.gz RCSOMCWHFVLHHS-UHFFFAOYSA-N 1 0 310.466 4.463 20 30 DIEDRO C#CCCC1(CC[NH2+][C@@H](C)Cc2ccc(Cl)cc2Cl)N=N1 ZINC001258678705 1063746901 /nfs/dbraw/zinc/74/69/01/1063746901.db2.gz RABHVXUAWZLTNK-LBPRGKRZSA-N 1 0 324.255 4.480 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C)ccc1NC ZINC001461871270 1063763885 /nfs/dbraw/zinc/76/38/85/1063763885.db2.gz IYXYFXZUXLPRRW-UHFFFAOYSA-N 1 0 310.441 4.234 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH+]1CCC(NC(C)=O)CC1 ZINC001258714572 1063770008 /nfs/dbraw/zinc/77/00/08/1063770008.db2.gz QJQQAJXCZQWDCI-IBGZPJMESA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001258714777 1063771389 /nfs/dbraw/zinc/77/13/89/1063771389.db2.gz VTCHLIBTQACWNI-LJQANCHMSA-N 1 0 322.537 4.316 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)n1[nH]c(=O)c2c1CC[NH2+]C2 ZINC001258714070 1063771406 /nfs/dbraw/zinc/77/14/06/1063771406.db2.gz HDFSNFFLPSAKRZ-HNNXBMFYSA-N 1 0 307.482 4.182 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001258716571 1063772530 /nfs/dbraw/zinc/77/25/30/1063772530.db2.gz BCLXWAZVWRPKOV-WBVHZDCISA-N 1 0 318.461 4.197 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001258717264 1063773225 /nfs/dbraw/zinc/77/32/25/1063773225.db2.gz NTWFWTIJIRBDEC-ULQDDVLXSA-N 1 0 324.509 4.214 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@H](O)c1ccccn1 ZINC001258716103 1063773386 /nfs/dbraw/zinc/77/33/86/1063773386.db2.gz SBHOFAVVVZMWTI-HKUYNNGSSA-N 1 0 306.494 4.480 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001258720687 1063774087 /nfs/dbraw/zinc/77/40/87/1063774087.db2.gz DGEQAMLXZDRJKW-WCXIOVBPSA-N 1 0 322.493 4.251 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001258717692 1063774504 /nfs/dbraw/zinc/77/45/04/1063774504.db2.gz XEMJJXRBKSYUKY-QFBILLFUSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001258717567 1063774867 /nfs/dbraw/zinc/77/48/67/1063774867.db2.gz URRBDKBWXPFNHX-CRAIPNDOSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001258720092 1063775549 /nfs/dbraw/zinc/77/55/49/1063775549.db2.gz REPOWJXJXCALMY-CVEARBPZSA-N 1 0 310.482 4.110 20 30 DIEDRO CNc1ccccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001461884283 1063775626 /nfs/dbraw/zinc/77/56/26/1063775626.db2.gz SCIFNSQKVZCTKM-QUCCMNQESA-N 1 0 305.425 4.000 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](CO)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001258721432 1063776004 /nfs/dbraw/zinc/77/60/04/1063776004.db2.gz VLTQVULRGDMWRA-QMTHXVAHSA-N 1 0 321.770 4.337 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001258722031 1063776263 /nfs/dbraw/zinc/77/62/63/1063776263.db2.gz AWBZGTYELOAWTI-OAHLLOKOSA-N 1 0 306.881 4.249 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(N2CCCCCC2=O)cc1 ZINC001258722701 1063776638 /nfs/dbraw/zinc/77/66/38/1063776638.db2.gz MDYJLSXTJLVQHW-INIZCTEOSA-N 1 0 300.446 4.038 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726884 1063778795 /nfs/dbraw/zinc/77/87/95/1063778795.db2.gz YDCLXBHGTAFZPV-VQIMIIECSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC001258725373 1063779798 /nfs/dbraw/zinc/77/97/98/1063779798.db2.gz KRTFNIXMGXLJAU-ROUUACIJSA-N 1 0 314.473 4.451 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(c2nnc(-c3ccccc3)o2)CC1 ZINC001258730918 1063780798 /nfs/dbraw/zinc/78/07/98/1063780798.db2.gz QJCSBUUXKZQWDC-OAHLLOKOSA-N 1 0 311.429 4.271 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H](C(=O)OCC)[C@H](c2ccccc2)C1 ZINC001258731902 1063781286 /nfs/dbraw/zinc/78/12/86/1063781286.db2.gz FEEBMFSZPHYSFZ-WDSOQIARSA-N 1 0 315.457 4.010 20 30 DIEDRO C=CCC[C@H](C)[N@H+]1CCCC[C@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001258731245 1063781459 /nfs/dbraw/zinc/78/14/59/1063781459.db2.gz BTYZXHWQOICAAS-YTQUADARSA-N 1 0 315.457 4.152 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1C[C@H]2Cc3c(c(-c4ccccc4)nn3C)[C@H]2C1 ZINC001258731466 1063782498 /nfs/dbraw/zinc/78/24/98/1063782498.db2.gz YDYDJOKADKAQFS-JQHSSLGASA-N 1 0 321.468 4.013 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(COc2ccccc2OC)CC1 ZINC001258733593 1063784507 /nfs/dbraw/zinc/78/45/07/1063784507.db2.gz JGJNPZVKYOHRDH-MRXNPFEDSA-N 1 0 303.446 4.141 20 30 DIEDRO C=CCC[C@@H](C)[N@H+](CCC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258735732 1063784698 /nfs/dbraw/zinc/78/46/98/1063784698.db2.gz AGFNDMPKAGWLPK-SJORKVTESA-N 1 0 324.509 4.310 20 30 DIEDRO C=CCC[C@H](C)[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001258736466 1063784732 /nfs/dbraw/zinc/78/47/32/1063784732.db2.gz UIQVBZOKKXDZLO-BBRMVZONSA-N 1 0 313.363 4.433 20 30 DIEDRO C=CCC[C@@H](C)[N@H+](C)Cc1cccc(Br)c1F ZINC001258735569 1063784846 /nfs/dbraw/zinc/78/48/46/1063784846.db2.gz WRDKVHCLCHFNQL-LLVKDONJSA-N 1 0 300.215 4.375 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(Nc2ccc(OCC)cc2)CC1 ZINC001258734463 1063784879 /nfs/dbraw/zinc/78/48/79/1063784879.db2.gz YKIFEBZTVJERAJ-MRXNPFEDSA-N 1 0 302.462 4.316 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(Nc2ccc(OCC)cc2)CC1 ZINC001258734462 1063785347 /nfs/dbraw/zinc/78/53/47/1063785347.db2.gz YKIFEBZTVJERAJ-INIZCTEOSA-N 1 0 302.462 4.316 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC001461902392 1063786347 /nfs/dbraw/zinc/78/63/47/1063786347.db2.gz NGTQDXWXHHHJHY-KRWDZBQOSA-N 1 0 322.452 4.043 20 30 DIEDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001258740237 1063788832 /nfs/dbraw/zinc/78/88/32/1063788832.db2.gz OPIFACYPUWJRNU-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001258743296 1063792240 /nfs/dbraw/zinc/79/22/40/1063792240.db2.gz ZWTHZIBBODZKRG-ORAYPTAESA-N 1 0 310.828 4.420 20 30 DIEDRO Cc1ccc(C(=[NH2+])N[C@H](C)Cc2cccc(Cl)c2)cc1C ZINC001258744823 1063795262 /nfs/dbraw/zinc/79/52/62/1063795262.db2.gz UQFDHGYMYPYFMR-CQSZACIVSA-N 1 0 300.833 4.293 20 30 DIEDRO COc1cc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)ccc1C#N ZINC001461933410 1063821731 /nfs/dbraw/zinc/82/17/31/1063821731.db2.gz AJPZFWKDAMXQBL-OAQYLSRUSA-N 1 0 320.436 4.121 20 30 DIEDRO N#Cc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cs1 ZINC001461986707 1063859955 /nfs/dbraw/zinc/85/99/55/1063859955.db2.gz LWBKCZQHLFNTAC-UHFFFAOYSA-N 1 0 312.438 4.270 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@@H]1c1ccccc1 ZINC001461990045 1063861315 /nfs/dbraw/zinc/86/13/15/1063861315.db2.gz VRQQRYKKTSNSRO-NHCUHLMSSA-N 1 0 302.421 4.350 20 30 DIEDRO C#CC[N@@H+](Cc1cc(O)cc(Cl)c1)[C@H]1CCc2ccccc21 ZINC001461990341 1063862125 /nfs/dbraw/zinc/86/21/25/1063862125.db2.gz WXCDYEVGQUNWJL-IBGZPJMESA-N 1 0 311.812 4.168 20 30 DIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)CC3 ZINC001461992490 1063863284 /nfs/dbraw/zinc/86/32/84/1063863284.db2.gz MPTSNJRLQHXOBT-HUUCEWRRSA-N 1 0 309.457 4.252 20 30 DIEDRO COc1ccccc1C[C@@H](C)[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001258882493 1063869511 /nfs/dbraw/zinc/86/95/11/1063869511.db2.gz XMOHCOPZFFNNHE-IIBYNOLFSA-N 1 0 322.452 4.485 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC001461997647 1063870546 /nfs/dbraw/zinc/87/05/46/1063870546.db2.gz GPVQDMIPCMVYPD-UHFFFAOYSA-N 1 0 312.416 4.439 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(F)cc1OC(F)F ZINC001262009591 1063951953 /nfs/dbraw/zinc/95/19/53/1063951953.db2.gz BSXZHCJCVKRADI-ZBOXLXRLSA-N 1 0 312.335 4.160 20 30 DIEDRO C[C@@H](CCC#N)CNc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001262113959 1063957441 /nfs/dbraw/zinc/95/74/41/1063957441.db2.gz GXBQPTQBQSLMCE-LBPRGKRZSA-N 1 0 313.367 4.119 20 30 DIEDRO C[C@H](CCC#N)CNc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001262113958 1063958111 /nfs/dbraw/zinc/95/81/11/1063958111.db2.gz GXBQPTQBQSLMCE-GFCCVEGCSA-N 1 0 313.367 4.119 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000386793883 1064059534 /nfs/dbraw/zinc/05/95/34/1064059534.db2.gz LTNAEDYKOGWQMJ-UHFFFAOYSA-N 1 0 318.205 4.419 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000701909948 1064272634 /nfs/dbraw/zinc/27/26/34/1064272634.db2.gz FVMIHGYITMWYDA-CABCVRRESA-N 1 0 322.493 4.014 20 30 DIEDRO C=CCCCCC[NH+]1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001279271254 1064338600 /nfs/dbraw/zinc/33/86/00/1064338600.db2.gz HFTDJCKOOBRIBN-UHFFFAOYSA-N 1 0 318.427 4.083 20 30 DIEDRO C=CCCCCCC[NH+]1CC2(CN(CCCC(F)(F)F)C2)C1 ZINC001279271826 1064340334 /nfs/dbraw/zinc/34/03/34/1064340334.db2.gz TXCSTTCFVGHDOT-UHFFFAOYSA-N 1 0 318.427 4.083 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000724440800 1064341407 /nfs/dbraw/zinc/34/14/07/1064341407.db2.gz JOUZORHLIIHYOV-UHFFFAOYSA-N 1 0 312.226 4.424 20 30 DIEDRO C#Cc1cccc(CN2CC3(C2)C[NH+](C[C@H](CC)CCCC)C3)c1 ZINC001279302179 1064341693 /nfs/dbraw/zinc/34/16/93/1064341693.db2.gz YVCPGAOONZNORK-HXUWFJFHSA-N 1 0 324.512 4.002 20 30 DIEDRO CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1ccc(C#N)cc1 ZINC001279744892 1064365737 /nfs/dbraw/zinc/36/57/37/1064365737.db2.gz WTFCBHXFRJJVQQ-FFZOFVMBSA-N 1 0 311.473 4.038 20 30 DIEDRO C#CCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1ccc([C@H](C)CC)cc1 ZINC001279750152 1064366743 /nfs/dbraw/zinc/36/67/43/1064366743.db2.gz RLEDNIAVAQVHNW-BLIXFSHQSA-N 1 0 324.468 4.016 20 30 DIEDRO CCCCCCCCCC[NH2+]C12CC(C(=O)N3CC=CC3)(C1)C2 ZINC001279873036 1064368627 /nfs/dbraw/zinc/36/86/27/1064368627.db2.gz QUBVMNCZLGJWRY-UHFFFAOYSA-N 1 0 318.505 4.038 20 30 DIEDRO CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCC#N ZINC001280181836 1064384903 /nfs/dbraw/zinc/38/49/03/1064384903.db2.gz XPVGWROQXMARLB-QBUWPKIASA-N 1 0 305.510 4.092 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001292338183 1064768587 /nfs/dbraw/zinc/76/85/87/1064768587.db2.gz PHQVKYCWUFWWBA-RTBURBONSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCC(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001293769629 1064829998 /nfs/dbraw/zinc/82/99/98/1064829998.db2.gz BDDCAEHJEGEDMD-UHFFFAOYSA-N 1 0 316.489 4.476 20 30 DIEDRO CCCCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001295095467 1064901370 /nfs/dbraw/zinc/90/13/70/1064901370.db2.gz RSKLGDSSKSLPCP-IEBWSBKVSA-N 1 0 320.452 4.048 20 30 DIEDRO C=CCC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001297943663 1064993822 /nfs/dbraw/zinc/99/38/22/1064993822.db2.gz VGKGOCDWJOUIOL-QGZVFWFLSA-N 1 0 318.505 4.036 20 30 DIEDRO C=CCCCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001298803323 1065021687 /nfs/dbraw/zinc/02/16/87/1065021687.db2.gz NOACTQZTFOCMDP-IPMKNSEASA-N 1 0 320.521 4.140 20 30 DIEDRO CCN(C[C@H]1CCCC[N@@H+]1C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC001307425212 1065386012 /nfs/dbraw/zinc/38/60/12/1065386012.db2.gz AHQIARVVPAVZGW-FXAWDEMLSA-N 1 0 313.489 4.204 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCc2ccccc2C1 ZINC001307428270 1065388281 /nfs/dbraw/zinc/38/82/81/1065388281.db2.gz DYRYSYHHOIBBPX-FQEVSTJZSA-N 1 0 322.427 4.467 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)s1 ZINC001307431038 1065390422 /nfs/dbraw/zinc/39/04/22/1065390422.db2.gz DCGKSWOMTMPWFG-CQSZACIVSA-N 1 0 316.857 4.480 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC001307430720 1065392003 /nfs/dbraw/zinc/39/20/03/1065392003.db2.gz JSXJEOLBMKJSRI-IBGZPJMESA-N 1 0 320.392 4.026 20 30 DIEDRO C=CCC[C@@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC001307436969 1065397836 /nfs/dbraw/zinc/39/78/36/1065397836.db2.gz PVEABGOCXGJDQP-LJQANCHMSA-N 1 0 309.453 4.346 20 30 DIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC(C)(C)O1 ZINC001307437694 1065399343 /nfs/dbraw/zinc/39/93/43/1065399343.db2.gz JGFLQJFJBBFDCU-LJQANCHMSA-N 1 0 314.473 4.364 20 30 DIEDRO CCC[N@H+](Cc1ccccc1Br)[C@@H]1CC[C@@H](C#N)C1 ZINC001307438522 1065399396 /nfs/dbraw/zinc/39/93/96/1065399396.db2.gz UTECRWNQRYMJBX-UKRRQHHQSA-N 1 0 321.262 4.353 20 30 DIEDRO C=CC[N@@H+](CCCc1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC001307439374 1065400838 /nfs/dbraw/zinc/40/08/38/1065400838.db2.gz XLHSXFHRIQUIMN-UHFFFAOYSA-N 1 0 304.437 4.488 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](CCOC)c1ccccc1 ZINC001307445019 1065404174 /nfs/dbraw/zinc/40/41/74/1065404174.db2.gz RICUYWNHXYUGKZ-NRFANRHFSA-N 1 0 309.453 4.495 20 30 DIEDRO C=CCC[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C(C)C ZINC001307443070 1065405438 /nfs/dbraw/zinc/40/54/38/1065405438.db2.gz RNUODZMOSQPRNL-MRXNPFEDSA-N 1 0 315.379 4.243 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC001307462265 1065415176 /nfs/dbraw/zinc/41/51/76/1065415176.db2.gz PEZOXSSYPCDIME-KRWDZBQOSA-N 1 0 307.865 4.412 20 30 DIEDRO C=CC[N@@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)CC1CCCCC1 ZINC001307469900 1065419886 /nfs/dbraw/zinc/41/98/86/1065419886.db2.gz HIYKEYVAUHNSEP-LSDHHAIUSA-N 1 0 305.384 4.165 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC001307476915 1065423997 /nfs/dbraw/zinc/42/39/97/1065423997.db2.gz BDLIGUBPLZJOHO-FQEVSTJZSA-N 1 0 320.436 4.082 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccc1CF ZINC001307487140 1065432572 /nfs/dbraw/zinc/43/25/72/1065432572.db2.gz NLWFDUVTSGFUFG-VQTJNVASSA-N 1 0 308.400 4.428 20 30 DIEDRO CC[N@@H+](Cc1c(C)cc(C#N)cc1C)C[C@H](O)c1ccc(C)cc1 ZINC001307496902 1065441853 /nfs/dbraw/zinc/44/18/53/1065441853.db2.gz QCSUALJYKSRVFP-NRFANRHFSA-N 1 0 322.452 4.039 20 30 DIEDRO CCCC[NH+](CCCC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC001307504028 1065445869 /nfs/dbraw/zinc/44/58/69/1065445869.db2.gz BNFSYFVBGDTODU-UHFFFAOYSA-N 1 0 321.490 4.077 20 30 DIEDRO C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC001307513643 1065453773 /nfs/dbraw/zinc/45/37/73/1065453773.db2.gz MSYVGOWZQXRRFM-GFCCVEGCSA-N 1 0 304.846 4.336 20 30 DIEDRO CCC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC001307562871 1065484193 /nfs/dbraw/zinc/48/41/93/1065484193.db2.gz HTUGPGLIVLYJEO-AWEZNQCLSA-N 1 0 306.837 4.254 20 30 DIEDRO CC(C)(C)[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001307569035 1065487797 /nfs/dbraw/zinc/48/77/97/1065487797.db2.gz ZWTLGLJUMPXGOZ-UHFFFAOYSA-N 1 0 323.396 4.267 20 30 DIEDRO COc1ccccc1C(C)(C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001307577155 1065491587 /nfs/dbraw/zinc/49/15/87/1065491587.db2.gz HSIJMTSBPKMCKG-UHFFFAOYSA-N 1 0 308.425 4.209 20 30 DIEDRO CCCCC[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)C(C)(C)C ZINC001307617510 1065521167 /nfs/dbraw/zinc/52/11/67/1065521167.db2.gz RTZZHEXSKIJFRC-MSOLQXFVSA-N 1 0 302.462 4.176 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)C(C)(C)c1ccccc1 ZINC001307620380 1065522229 /nfs/dbraw/zinc/52/22/29/1065522229.db2.gz WRPQYSDZQYXACH-HXUWFJFHSA-N 1 0 322.452 4.413 20 30 DIEDRO CCOc1cccc([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)c1 ZINC001307623979 1065525439 /nfs/dbraw/zinc/52/54/39/1065525439.db2.gz RZXVXXLJBDPXAI-OAHLLOKOSA-N 1 0 313.828 4.441 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC001307626509 1065526826 /nfs/dbraw/zinc/52/68/26/1065526826.db2.gz LAKJQULMVWDTAS-DZFGPLHGSA-N 1 0 309.453 4.448 20 30 DIEDRO C=C(Cl)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC001307632960 1065530769 /nfs/dbraw/zinc/53/07/69/1065530769.db2.gz TWWCATRQYFIMQL-CQSZACIVSA-N 1 0 302.805 4.064 20 30 DIEDRO CCCC[C@@H](CC)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001307650221 1065541778 /nfs/dbraw/zinc/54/17/78/1065541778.db2.gz ULZQSJGRBMUHJO-APWZRJJASA-N 1 0 300.446 4.148 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001307674987 1065557064 /nfs/dbraw/zinc/55/70/64/1065557064.db2.gz NNHAISIUOGPPJN-CKJXQJPGSA-N 1 0 320.436 4.301 20 30 DIEDRO CCCCCCCCC[NH2+][C@@H](C)C1CCN(C(=O)OC)CC1 ZINC001307695115 1065568253 /nfs/dbraw/zinc/56/82/53/1065568253.db2.gz HCLGZNYVDDLUDZ-INIZCTEOSA-N 1 0 312.498 4.194 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001307697279 1065568978 /nfs/dbraw/zinc/56/89/78/1065568978.db2.gz RZZXEUVBSCTQJJ-HZPDHXFCSA-N 1 0 308.878 4.366 20 30 DIEDRO Cc1cc(C)c2c(c1)C[N@@H+](CCCOc1cccc(C#N)c1)CC2 ZINC001307697953 1065570052 /nfs/dbraw/zinc/57/00/52/1065570052.db2.gz WTNACGXWKRSCNE-UHFFFAOYSA-N 1 0 320.436 4.002 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCSC(F)(F)F)c1ccc(F)c(F)c1 ZINC001307700177 1065570763 /nfs/dbraw/zinc/57/07/63/1065570763.db2.gz ZSSIRZGVLKUFIZ-LBPRGKRZSA-N 1 0 311.319 4.425 20 30 DIEDRO CC[C@@H](C[N@H+](CC)CCOc1ccccc1C#N)c1ccccc1 ZINC001307701551 1065573554 /nfs/dbraw/zinc/57/35/54/1065573554.db2.gz YRHGWMKDDPLPQR-SFHVURJKSA-N 1 0 322.452 4.453 20 30 DIEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCOc1ccc(C#N)cc1 ZINC001307705975 1065575596 /nfs/dbraw/zinc/57/55/96/1065575596.db2.gz KIPMEVUEIOZMCE-CRAIPNDOSA-N 1 0 300.446 4.132 20 30 DIEDRO C=CCC[NH+]1CCC(C)(c2ccc(Br)cc2)CC1 ZINC001307712179 1065579767 /nfs/dbraw/zinc/57/97/67/1065579767.db2.gz DJGZQNXPQYSZCO-UHFFFAOYSA-N 1 0 308.263 4.379 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CCCCC2(C#N)CCC2)[C@@H](C)[C@@H]1OC ZINC001307746461 1065602315 /nfs/dbraw/zinc/60/23/15/1065602315.db2.gz UFSAGDHINGLCTP-ZACQAIPSSA-N 1 0 306.494 4.280 20 30 DIEDRO CCCC[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1OC ZINC001307770199 1065613201 /nfs/dbraw/zinc/61/32/01/1065613201.db2.gz UJQYMXYXLQKAAL-WOJBJXKFSA-N 1 0 317.448 4.237 20 30 DIEDRO C=CCCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC001307794402 1065623746 /nfs/dbraw/zinc/62/37/46/1065623746.db2.gz YVSHPTQXGDKYAY-BBRMVZONSA-N 1 0 313.363 4.433 20 30 DIEDRO Cc1ccc2c(c1)C[N@@H+](CCOc1ccccc1C#N)C(C)(C)C2 ZINC001307795004 1065624114 /nfs/dbraw/zinc/62/41/14/1065624114.db2.gz SASAJQBOICKJCG-UHFFFAOYSA-N 1 0 320.436 4.082 20 30 DIEDRO C=CCCC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001307794405 1065624155 /nfs/dbraw/zinc/62/41/55/1065624155.db2.gz YVSHPTQXGDKYAY-XJKSGUPXSA-N 1 0 313.363 4.433 20 30 DIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC001307873644 1065664725 /nfs/dbraw/zinc/66/47/25/1065664725.db2.gz FIVVUDAGAUPNCE-RDJZCZTQSA-N 1 0 307.359 4.321 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC001307878027 1065664795 /nfs/dbraw/zinc/66/47/95/1065664795.db2.gz OIJZNMHDKWNNOO-QGZVFWFLSA-N 1 0 323.411 4.250 20 30 DIEDRO C=CC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC001307915811 1065679801 /nfs/dbraw/zinc/67/98/01/1065679801.db2.gz XMYWEIJLCHPFCU-SFHVURJKSA-N 1 0 322.452 4.449 20 30 DIEDRO C=C(Br)C[N@H+]1CCC[C@]1(CC)Cc1ccccc1 ZINC001307919773 1065679826 /nfs/dbraw/zinc/67/98/26/1065679826.db2.gz XEIWFMKEELSNEU-MRXNPFEDSA-N 1 0 308.263 4.382 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC001307914992 1065680863 /nfs/dbraw/zinc/68/08/63/1065680863.db2.gz NROTWLRMWLHQRE-CQSZACIVSA-N 1 0 313.363 4.372 20 30 DIEDRO C=CC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C(C)(C)C ZINC001307939110 1065690327 /nfs/dbraw/zinc/69/03/27/1065690327.db2.gz PZERTOJGRNOHBN-UHFFFAOYSA-N 1 0 309.457 4.148 20 30 DIEDRO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001307943079 1065690768 /nfs/dbraw/zinc/69/07/68/1065690768.db2.gz VBMYWBNJSVRYCH-MRXNPFEDSA-N 1 0 322.493 4.255 20 30 DIEDRO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)CC1CCC(C#N)CC1 ZINC001307955129 1065698830 /nfs/dbraw/zinc/69/88/30/1065698830.db2.gz QECSNFOMILGVQZ-UHFFFAOYSA-N 1 0 322.493 4.006 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC001307983266 1065712150 /nfs/dbraw/zinc/71/21/50/1065712150.db2.gz LUUVMCYGVQVCBB-UHFFFAOYSA-N 1 0 322.374 4.393 20 30 DIEDRO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(F)cc1 ZINC001307991617 1065715361 /nfs/dbraw/zinc/71/53/61/1065715361.db2.gz UKDSKNFVCYRWTR-LJQANCHMSA-N 1 0 312.388 4.121 20 30 DIEDRO C=CCC1([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CCCCC1 ZINC001308002979 1065721717 /nfs/dbraw/zinc/72/17/17/1065721717.db2.gz OMMLTLJQYFDNQO-KRWDZBQOSA-N 1 0 307.865 4.112 20 30 DIEDRO C=CCCC[C@@H]([NH2+]CC1(CC(=O)OC)CC1)c1ccccc1 ZINC001308041702 1065738702 /nfs/dbraw/zinc/73/87/02/1065738702.db2.gz XOLLQALBPWHFCM-QGZVFWFLSA-N 1 0 301.430 4.017 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001308081724 1065755712 /nfs/dbraw/zinc/75/57/12/1065755712.db2.gz KAERKBARFBUPMK-RCBQFDQVSA-N 1 0 308.347 4.284 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC001308084214 1065755758 /nfs/dbraw/zinc/75/57/58/1065755758.db2.gz DGIUSOAXAMDVST-KRWDZBQOSA-N 1 0 304.503 4.290 20 30 DIEDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001308100088 1065761944 /nfs/dbraw/zinc/76/19/44/1065761944.db2.gz VKEFJTYNKKUTFE-DYESRHJHSA-N 1 0 304.437 4.369 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCC1 ZINC001308101428 1065762452 /nfs/dbraw/zinc/76/24/52/1065762452.db2.gz QFBOHSDKOAPTTO-UHFFFAOYSA-N 1 0 300.405 4.261 20 30 DIEDRO C#CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCCc2ccccc21 ZINC001308105180 1065765556 /nfs/dbraw/zinc/76/55/56/1065765556.db2.gz YKYNYPFIFBBTFX-JOCHJYFZSA-N 1 0 317.407 4.190 20 30 DIEDRO C#CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC001308104878 1065765886 /nfs/dbraw/zinc/76/58/86/1065765886.db2.gz HYCPSLABYIGDIB-UHFFFAOYSA-N 1 0 306.793 4.064 20 30 DIEDRO C#CCC1([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC001308105307 1065766181 /nfs/dbraw/zinc/76/61/81/1065766181.db2.gz KOKZWXSPRYMIDA-UHFFFAOYSA-N 1 0 319.370 4.373 20 30 DIEDRO C[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001308114350 1065768363 /nfs/dbraw/zinc/76/83/63/1065768363.db2.gz MQSFOZJTBIYQDI-CRAIPNDOSA-N 1 0 300.446 4.004 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001308119732 1065770495 /nfs/dbraw/zinc/77/04/95/1065770495.db2.gz FGSXVMDICXUYSA-CBUFDYBVSA-N 1 0 318.420 4.115 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001308116528 1065770980 /nfs/dbraw/zinc/77/09/80/1065770980.db2.gz GSIKFFWONZQOSE-HXUWFJFHSA-N 1 0 310.441 4.257 20 30 DIEDRO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001308119734 1065771337 /nfs/dbraw/zinc/77/13/37/1065771337.db2.gz FGSXVMDICXUYSA-DRUFCSCSSA-N 1 0 318.420 4.115 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)c1F ZINC001308122720 1065771478 /nfs/dbraw/zinc/77/14/78/1065771478.db2.gz QCMKWNQYYNRBHA-CVTTXWKISA-N 1 0 306.384 4.375 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC001308133344 1065772805 /nfs/dbraw/zinc/77/28/05/1065772805.db2.gz DMBNWPVVNMENJX-CQSZACIVSA-N 1 0 308.853 4.264 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC001308130075 1065772989 /nfs/dbraw/zinc/77/29/89/1065772989.db2.gz YNVMTQYIFKHOGD-UHFFFAOYSA-N 1 0 309.416 4.374 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC001308138124 1065775126 /nfs/dbraw/zinc/77/51/26/1065775126.db2.gz WFBSHALJIYDRLT-OAHLLOKOSA-N 1 0 315.392 4.115 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC001308139565 1065778430 /nfs/dbraw/zinc/77/84/30/1065778430.db2.gz GZEPJSVEOWWGCG-GQIGUUNPSA-N 1 0 322.452 4.056 20 30 DIEDRO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC001308142043 1065778572 /nfs/dbraw/zinc/77/85/72/1065778572.db2.gz OQHJVQWIVFURRY-FQEVSTJZSA-N 1 0 305.421 4.253 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccc2occc2c1)C(C)C ZINC001308198506 1065806288 /nfs/dbraw/zinc/80/62/88/1065806288.db2.gz ZHOKHSFJGUBWNB-LJQANCHMSA-N 1 0 312.457 4.221 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccccc1Cl)C(C)C ZINC001308196991 1065806789 /nfs/dbraw/zinc/80/67/89/1065806789.db2.gz KFEZUFQMXRCJET-SFHVURJKSA-N 1 0 306.881 4.128 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC001308209966 1065818104 /nfs/dbraw/zinc/81/81/04/1065818104.db2.gz OYRITKMCUJJRTB-DLBZAZTESA-N 1 0 321.468 4.195 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1ccncc1 ZINC001308273428 1065871763 /nfs/dbraw/zinc/87/17/63/1065871763.db2.gz YEZNRGGULKNOFT-MRXNPFEDSA-N 1 0 313.788 4.283 20 30 DIEDRO C=CC[C@@H]([NH2+]C/C=C/c1ccc(F)cc1F)c1ccncc1 ZINC001308272743 1065871842 /nfs/dbraw/zinc/87/18/42/1065871842.db2.gz IYRLLYHGMVVHNO-YWPBOTNQSA-N 1 0 300.352 4.280 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCC(C)(C)CC1 ZINC001308285906 1065882138 /nfs/dbraw/zinc/88/21/38/1065882138.db2.gz NAAONGCTTRFPGO-UHFFFAOYSA-N 1 0 305.849 4.410 20 30 DIEDRO CCCC1(C[NH2+]Cc2cc(C#N)ccc2Br)CCC1 ZINC001308330829 1065917502 /nfs/dbraw/zinc/91/75/02/1065917502.db2.gz MHXQRDZYYMQOTI-UHFFFAOYSA-N 1 0 321.262 4.381 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+]Cc1ncc(Br)cc1Cl ZINC001308345367 1065930110 /nfs/dbraw/zinc/93/01/10/1065930110.db2.gz DNPHFVHWYWNZTD-SNVBAGLBSA-N 1 0 317.658 4.332 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC001308352625 1065935095 /nfs/dbraw/zinc/93/50/95/1065935095.db2.gz ALKVOLRCULJFGL-QGZVFWFLSA-N 1 0 322.452 4.089 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)C(C)C)ccc1OC ZINC001308373629 1065948706 /nfs/dbraw/zinc/94/87/06/1065948706.db2.gz DKVNCHMYOYTGDD-UHFFFAOYSA-N 1 0 305.462 4.422 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC001308387975 1065956645 /nfs/dbraw/zinc/95/66/45/1065956645.db2.gz GHGLLLQQWHRMJK-WGSAOQKQSA-N 1 0 305.421 4.043 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C2(C(C)(C)c3ccccc3)CC2)cc1 ZINC001308402956 1065964834 /nfs/dbraw/zinc/96/48/34/1065964834.db2.gz LQDFBZGPBGLXCX-UHFFFAOYSA-N 1 0 319.448 4.299 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OC)c(OCC(=C)C)c1 ZINC001308414989 1065973048 /nfs/dbraw/zinc/97/30/48/1065973048.db2.gz BWUPPXLHZDXFHO-UHFFFAOYSA-N 1 0 303.446 4.342 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(C)CCCCC2)cc1OC ZINC001308422493 1065979037 /nfs/dbraw/zinc/97/90/37/1065979037.db2.gz FZOJJCLPCWPFIM-UHFFFAOYSA-N 1 0 303.446 4.320 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1OC ZINC001308431895 1065982577 /nfs/dbraw/zinc/98/25/77/1065982577.db2.gz BSMCWUBXUKYYIR-IJEWVQPXSA-N 1 0 321.848 4.192 20 30 DIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC001308432449 1065983191 /nfs/dbraw/zinc/98/31/91/1065983191.db2.gz KNQOAMTUKHZRAR-UHFFFAOYSA-N 1 0 315.642 4.132 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1OC ZINC001308457647 1066000199 /nfs/dbraw/zinc/00/01/99/1066000199.db2.gz PNDPDKFDWXVKOZ-RBSFLKMASA-N 1 0 321.848 4.192 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1C ZINC001308461514 1066003484 /nfs/dbraw/zinc/00/34/84/1066003484.db2.gz COCKPKQZMJLUKC-DOTOQJQBSA-N 1 0 303.446 4.237 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC001308463833 1066004245 /nfs/dbraw/zinc/00/42/45/1066004245.db2.gz NJGNGBGNIGZSEY-WMZOPIPTSA-N 1 0 315.457 4.461 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC001308463035 1066004626 /nfs/dbraw/zinc/00/46/26/1066004626.db2.gz SUWKAKKGHPMZKB-UHFFFAOYSA-N 1 0 321.468 4.429 20 30 DIEDRO Cc1cc(C[NH2+]CCc2ccc(C#N)cc2)ccc1C(F)(F)F ZINC001308463688 1066004974 /nfs/dbraw/zinc/00/49/74/1066004974.db2.gz LVOWZQDTPUXWEN-UHFFFAOYSA-N 1 0 318.342 4.218 20 30 DIEDRO CN(CCC#N)c1ccc(C[NH2+]CC[C@@H]2CCCC2(C)C)cc1 ZINC001308472534 1066012346 /nfs/dbraw/zinc/01/23/46/1066012346.db2.gz QBSDWHGZKVZJSU-SFHVURJKSA-N 1 0 313.489 4.342 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC001308510095 1066037340 /nfs/dbraw/zinc/03/73/40/1066037340.db2.gz LUNUQTODALJITQ-UHFFFAOYSA-N 1 0 311.853 4.439 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(O)ccc1Br ZINC001308510417 1066037558 /nfs/dbraw/zinc/03/75/58/1066037558.db2.gz SVCOAJODJXUWLG-UHFFFAOYSA-N 1 0 312.251 4.237 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC001308510866 1066037633 /nfs/dbraw/zinc/03/76/33/1066037633.db2.gz YZIFNJRWNLWIFM-HDJSIYSDSA-N 1 0 314.429 4.231 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001308510507 1066037829 /nfs/dbraw/zinc/03/78/29/1066037829.db2.gz VIPPQHUCLCDJJY-JKSUJKDBSA-N 1 0 324.509 4.404 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)cc1C#N ZINC001308517490 1066040984 /nfs/dbraw/zinc/04/09/84/1066040984.db2.gz GVORADXWUYHNOC-UHFFFAOYSA-N 1 0 318.342 4.484 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)cc1C#N ZINC001308519167 1066042410 /nfs/dbraw/zinc/04/24/10/1066042410.db2.gz DOPOUCFKKJWTOM-LSDHHAIUSA-N 1 0 306.500 4.044 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2F)cc1 ZINC001308523873 1066045489 /nfs/dbraw/zinc/04/54/89/1066045489.db2.gz XGPHCNDESIRMDU-UHFFFAOYSA-N 1 0 315.363 4.002 20 30 DIEDRO Cc1cccc2[nH]c(C[NH2+]C(C)(C)Cc3ccc(C#N)cc3)cc21 ZINC001308529030 1066048139 /nfs/dbraw/zinc/04/81/39/1066048139.db2.gz HMGPECQRKSKOSV-UHFFFAOYSA-N 1 0 317.436 4.459 20 30 DIEDRO Cc1cc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cnc1Cl ZINC001308528813 1066048931 /nfs/dbraw/zinc/04/89/31/1066048931.db2.gz AHCKOQCLODMGEI-UHFFFAOYSA-N 1 0 313.832 4.026 20 30 DIEDRO C#CCC1([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CCC1 ZINC001308530999 1066049905 /nfs/dbraw/zinc/04/99/05/1066049905.db2.gz WYOBREHLNPKMPF-UHFFFAOYSA-N 1 0 318.392 4.124 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCS[C@H](C)C2)cc1Cl ZINC001308540280 1066057522 /nfs/dbraw/zinc/05/75/22/1066057522.db2.gz RFEIXUSCYUMQET-OCCSQVGLSA-N 1 0 311.878 4.279 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC001308555002 1066066318 /nfs/dbraw/zinc/06/63/18/1066066318.db2.gz SROIAQYIAXDKOS-AZUAARDMSA-N 1 0 312.457 4.285 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1cccc(C#N)n1 ZINC001308565088 1066074883 /nfs/dbraw/zinc/07/48/83/1066074883.db2.gz PTGLVBZJNNEHLO-FQEVSTJZSA-N 1 0 307.441 4.105 20 30 DIEDRO Cc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)ccc1C#N ZINC001308565049 1066076166 /nfs/dbraw/zinc/07/61/66/1066076166.db2.gz OYILYQBCOKEKAV-LAUBAEHRSA-N 1 0 304.437 4.492 20 30 DIEDRO C[C@H]1SCC[N@H+](CC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001308574809 1066090882 /nfs/dbraw/zinc/09/08/82/1066090882.db2.gz VPRVNSCWGFPXJU-XLIONFOSSA-N 1 0 307.462 4.217 20 30 DIEDRO CCNc1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001308579320 1066093990 /nfs/dbraw/zinc/09/39/90/1066093990.db2.gz WVACQONLPJEPKZ-TZIWHRDSSA-N 1 0 319.452 4.390 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2scnc2c1 ZINC001308579188 1066094867 /nfs/dbraw/zinc/09/48/67/1066094867.db2.gz YJMQZUYQUBRVLE-UHFFFAOYSA-N 1 0 324.449 4.493 20 30 DIEDRO CCc1cccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1O ZINC001308606708 1066113673 /nfs/dbraw/zinc/11/36/73/1066113673.db2.gz GLUKJKIQBLYDSC-UHFFFAOYSA-N 1 0 318.420 4.116 20 30 DIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001308615093 1066119792 /nfs/dbraw/zinc/11/97/92/1066119792.db2.gz DPNMZFHWSRUWQC-FQEVSTJZSA-N 1 0 305.421 4.274 20 30 DIEDRO C=CC[N@H+](CCCc1ccc2c(c1)CCO2)CCc1ccccc1 ZINC001308631328 1066128176 /nfs/dbraw/zinc/12/81/76/1066128176.db2.gz CMEAZACBNQKHKG-UHFFFAOYSA-N 1 0 321.464 4.285 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2cccc3ccoc32)C2CC2)cc1 ZINC001308639427 1066132352 /nfs/dbraw/zinc/13/23/52/1066132352.db2.gz QCCLDLYIGLMZCG-UHFFFAOYSA-N 1 0 302.377 4.469 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)c1 ZINC001308639470 1066132431 /nfs/dbraw/zinc/13/24/31/1066132431.db2.gz QRMRZIRSIIJRIZ-UHFFFAOYSA-N 1 0 306.409 4.040 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(CSC)cc1 ZINC001308639821 1066133046 /nfs/dbraw/zinc/13/30/46/1066133046.db2.gz BRNUBWZGJSHYJB-UHFFFAOYSA-N 1 0 301.455 4.373 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccs1 ZINC000754579081 1066135260 /nfs/dbraw/zinc/13/52/60/1066135260.db2.gz NUHSOIMDSLDHAW-LLVKDONJSA-N 1 0 306.818 4.155 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC001308718373 1066197465 /nfs/dbraw/zinc/19/74/65/1066197465.db2.gz UNGYRLINDONACZ-ZDUSSCGKSA-N 1 0 316.367 4.247 20 30 DIEDRO C=CC[C@@H]1[N@H+](C[C@H]2C[C@@]2(C)Br)CCCC1(C)C ZINC001308724047 1066201377 /nfs/dbraw/zinc/20/13/77/1066201377.db2.gz KVBMDFZTODXCJI-VNHYZAJKSA-N 1 0 300.284 4.227 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(C)cc(OC)c1O ZINC001308736839 1066211074 /nfs/dbraw/zinc/21/10/74/1066211074.db2.gz WGANELQEAVNJEI-UHFFFAOYSA-N 1 0 311.425 4.288 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1F ZINC001308736920 1066212257 /nfs/dbraw/zinc/21/22/57/1066212257.db2.gz AYMRYFPLYLDWEH-CRAIPNDOSA-N 1 0 312.363 4.262 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1)C(C)C ZINC001308751627 1066225108 /nfs/dbraw/zinc/22/51/08/1066225108.db2.gz VXRNTJAAGWZPLC-FQEVSTJZSA-N 1 0 321.468 4.413 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3cc4c(ccnc4Cl)o3)CC2)c1 ZINC001308758354 1066232324 /nfs/dbraw/zinc/23/23/24/1066232324.db2.gz OXFUHTXEZFOVGF-UHFFFAOYSA-N 1 0 323.783 4.132 20 30 DIEDRO C=CCC1(C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CCCC1 ZINC001308762989 1066237155 /nfs/dbraw/zinc/23/71/55/1066237155.db2.gz KGULIVORACRGFJ-UHFFFAOYSA-N 1 0 324.509 4.263 20 30 DIEDRO C#C[C@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccc(Br)cc1 ZINC001308786061 1066259412 /nfs/dbraw/zinc/25/94/12/1066259412.db2.gz VMPCZKBCPQPVGS-WFASDCNBSA-N 1 0 308.263 4.395 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccccc1SC)c1ccc(F)cc1 ZINC001308786112 1066261630 /nfs/dbraw/zinc/26/16/30/1066261630.db2.gz JAWHSOGBJMEREH-KSSFIOAISA-N 1 0 313.441 4.443 20 30 DIEDRO C#C[C@@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC001308787345 1066262010 /nfs/dbraw/zinc/26/20/10/1066262010.db2.gz RUFPNQUHBKRXGC-DDKKJVIOSA-N 1 0 301.311 4.081 20 30 DIEDRO Cc1cc(CC[NH2+]C2CC(C#N)(c3ccccc3)C2)ccc1Cl ZINC001308788960 1066263711 /nfs/dbraw/zinc/26/37/11/1066263711.db2.gz YXIURQIWTPJTMC-UHFFFAOYSA-N 1 0 324.855 4.405 20 30 DIEDRO CC[C@H](C[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC001308794779 1066270099 /nfs/dbraw/zinc/27/00/99/1066270099.db2.gz MQNPDUGEDATQJN-HXUWFJFHSA-N 1 0 322.452 4.200 20 30 DIEDRO CCOc1ccc(C[C@@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC001308803589 1066280516 /nfs/dbraw/zinc/28/05/16/1066280516.db2.gz OUSOLYYHMSGHMR-CVEARBPZSA-N 1 0 302.462 4.182 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001308812715 1066289668 /nfs/dbraw/zinc/28/96/68/1066289668.db2.gz IYGJAAMIKRFUNG-AZUAARDMSA-N 1 0 308.400 4.465 20 30 DIEDRO Fc1cccc(F)c1C1(C[NH2+]CC#Cc2ccccc2)CCC1 ZINC001308819892 1066293452 /nfs/dbraw/zinc/29/34/52/1066293452.db2.gz MYTMFIUSSWTSDG-UHFFFAOYSA-N 1 0 311.375 4.028 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308828631 1066303254 /nfs/dbraw/zinc/30/32/54/1066303254.db2.gz HHQMCJSJYXCNGO-JYJNAYRXSA-N 1 0 324.509 4.403 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308829072 1066303829 /nfs/dbraw/zinc/30/38/29/1066303829.db2.gz AVZJDUIKHRCZTI-AWEZNQCLSA-N 1 0 314.379 4.462 20 30 DIEDRO C[C@@H](CC1CCCCC1)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001308851415 1066331449 /nfs/dbraw/zinc/33/14/49/1066331449.db2.gz KTXFZEVTUNMEKA-OXJNMPFZSA-N 1 0 314.473 4.130 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC001308856490 1066336685 /nfs/dbraw/zinc/33/66/85/1066336685.db2.gz XKZJYEVUNDUJQK-KRWDZBQOSA-N 1 0 309.457 4.358 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC001308856184 1066336734 /nfs/dbraw/zinc/33/67/34/1066336734.db2.gz VCKFMERRGXMMSX-CQSZACIVSA-N 1 0 302.443 4.500 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC001308855228 1066337113 /nfs/dbraw/zinc/33/71/13/1066337113.db2.gz LVKAALIXSRKMGU-LLVKDONJSA-N 1 0 300.265 4.299 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC001308860601 1066340205 /nfs/dbraw/zinc/34/02/05/1066340205.db2.gz SBXCXYFLJYDGPT-LEWJYISDSA-N 1 0 304.437 4.417 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC001308860602 1066342335 /nfs/dbraw/zinc/34/23/35/1066342335.db2.gz SBXCXYFLJYDGPT-NHCUHLMSSA-N 1 0 304.437 4.417 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001308876068 1066356694 /nfs/dbraw/zinc/35/66/94/1066356694.db2.gz IBXAYDWXCOTUNT-HZPDHXFCSA-N 1 0 324.509 4.214 20 30 DIEDRO C#CC[C@H]1CC[N@@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC001308881632 1066361361 /nfs/dbraw/zinc/36/13/61/1066361361.db2.gz XNRQINYEHPGXBZ-SZGZABIGSA-N 1 0 305.368 4.037 20 30 DIEDRO CCCCCC[C@@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001308890763 1066371069 /nfs/dbraw/zinc/37/10/69/1066371069.db2.gz INUZTZOFUICSOM-QGZVFWFLSA-N 1 0 313.489 4.476 20 30 DIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cc(F)cc(C#N)c2)CC1 ZINC001308902833 1066379665 /nfs/dbraw/zinc/37/96/65/1066379665.db2.gz TWRVNLGNGMFVIQ-LIRRHRJNSA-N 1 0 315.436 4.152 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC001308901530 1066380930 /nfs/dbraw/zinc/38/09/30/1066380930.db2.gz ZCRMBILKDIGOAE-CVEARBPZSA-N 1 0 315.379 4.463 20 30 DIEDRO CC[C@H](CC1CCCCC1)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC001308918828 1066396398 /nfs/dbraw/zinc/39/63/98/1066396398.db2.gz OCHKAKPALVTMKF-GOSISDBHSA-N 1 0 300.446 4.405 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC001308928503 1066403091 /nfs/dbraw/zinc/40/30/91/1066403091.db2.gz PQWOQKTZGANFPQ-IBGZPJMESA-N 1 0 300.490 4.233 20 30 DIEDRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC001308938764 1066409108 /nfs/dbraw/zinc/40/91/08/1066409108.db2.gz PDEDUVSMTJVFGZ-ZDUSSCGKSA-N 1 0 316.392 4.491 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2)cc1C#N ZINC001308939587 1066410345 /nfs/dbraw/zinc/41/03/45/1066410345.db2.gz YIDGGNXCKRJPNL-CYBMUJFWSA-N 1 0 314.429 4.140 20 30 DIEDRO CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001308958271 1066420152 /nfs/dbraw/zinc/42/01/52/1066420152.db2.gz FZOGGDNWSBETTH-KPFFTGBYSA-N 1 0 312.457 4.148 20 30 DIEDRO CCCCCCCC[C@@H](CO)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC001308975599 1066427614 /nfs/dbraw/zinc/42/76/14/1066427614.db2.gz FWAPWLOUXUDRNP-MUYFXNHWSA-N 1 0 311.510 4.035 20 30 DIEDRO Cc1[nH]c2ccccc2c1SCC[NH2+]C1CCC(C#N)CC1 ZINC001308986582 1066433964 /nfs/dbraw/zinc/43/39/64/1066433964.db2.gz OGLBPEUECLSSEY-UHFFFAOYSA-N 1 0 313.470 4.240 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000280922948 334967387 /nfs/dbraw/zinc/96/73/87/334967387.db2.gz UFUVZWFFBXBTFD-NEBZKDRISA-N 1 0 309.500 4.244 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccco1 ZINC000285938803 335028235 /nfs/dbraw/zinc/02/82/35/335028235.db2.gz DHNPIPWJAHDUQN-JKXTWKSPSA-N 1 0 317.454 4.375 20 30 DIEDRO C=CCC[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000286193288 335030477 /nfs/dbraw/zinc/03/04/77/335030477.db2.gz RJWNMFSVAMWHSD-GOSISDBHSA-N 1 0 302.462 4.284 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000287540509 335044661 /nfs/dbraw/zinc/04/46/61/335044661.db2.gz PHOXVACJWBWIHO-HNNXBMFYSA-N 1 0 324.424 4.061 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2sccc2OC)cc1 ZINC000287570165 335044856 /nfs/dbraw/zinc/04/48/56/335044856.db2.gz QOZOMIVSIMJELB-ZDUSSCGKSA-N 1 0 303.427 4.172 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000287581128 335044924 /nfs/dbraw/zinc/04/49/24/335044924.db2.gz HJXPOAXHADYXSG-HRCADAONSA-N 1 0 313.363 4.393 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000121838153 195359300 /nfs/dbraw/zinc/35/93/00/195359300.db2.gz PXHHWSXBRBRTIB-KDOFPFPSSA-N 1 0 324.424 4.377 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000273399398 130116979 /nfs/dbraw/zinc/11/69/79/130116979.db2.gz GDTBBJNTSFNVPW-KPOBHBOGSA-N 1 0 324.399 4.268 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000273399402 130117315 /nfs/dbraw/zinc/11/73/15/130117315.db2.gz GDTBBJNTSFNVPW-VHKYSDTDSA-N 1 0 324.399 4.268 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273557086 130137159 /nfs/dbraw/zinc/13/71/59/130137159.db2.gz WALARZKMSNELTK-WOJBJXKFSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000274010080 130197812 /nfs/dbraw/zinc/19/78/12/130197812.db2.gz OGKCUHOKBQLBCQ-YMTQGWHGSA-N 1 0 320.436 4.039 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc(C#N)cc1 ZINC000274400609 130231739 /nfs/dbraw/zinc/23/17/39/130231739.db2.gz SEVFCSYASHIOID-AWEZNQCLSA-N 1 0 322.408 4.054 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)ccc1C#N ZINC000281615494 130873991 /nfs/dbraw/zinc/87/39/91/130873991.db2.gz GYICSFPIWVDYGF-OAHLLOKOSA-N 1 0 324.424 4.205 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284965895 131127114 /nfs/dbraw/zinc/12/71/14/131127114.db2.gz XMXBTMPXBNJDFD-DFBGVHRSSA-N 1 0 309.240 4.135 20 30 DIEDRO COCc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000121848422 132160505 /nfs/dbraw/zinc/16/05/05/132160505.db2.gz SEIACKTXFHMBID-LSDHHAIUSA-N 1 0 324.424 4.125 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCc2c1ccc(OC)c2F)c1ccccc1 ZINC000290156994 335069518 /nfs/dbraw/zinc/06/95/18/335069518.db2.gz DAPHYPGJDVTSPU-ROUUACIJSA-N 1 0 309.384 4.176 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2nc3cccc(C)c3s2)CC1 ZINC000479990354 435359977 /nfs/dbraw/zinc/35/99/77/435359977.db2.gz MHBCSJFIWNSSQN-UHFFFAOYSA-N 1 0 301.459 4.057 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000186000425 332791427 /nfs/dbraw/zinc/79/14/27/332791427.db2.gz LUYNQORFJORUAO-OAHLLOKOSA-N 1 0 307.865 4.333 20 30 DIEDRO Cc1cccc(N2CC[NH+](CCCCC(C)(C)C#N)CC2)c1C ZINC000322975464 331578354 /nfs/dbraw/zinc/57/83/54/331578354.db2.gz XXTBVGXMXCGJAK-UHFFFAOYSA-N 1 0 313.489 4.146 20 30 DIEDRO C[C@@H]1[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[C@@H]1c1ccccc1 ZINC000556600011 331719274 /nfs/dbraw/zinc/71/92/74/331719274.db2.gz DRWUNFPOKFBNNE-YSSFQJQWSA-N 1 0 302.421 4.329 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000556611767 331720292 /nfs/dbraw/zinc/72/02/92/331720292.db2.gz WLEDZNOTJMHNCQ-HWWQOWPSSA-N 1 0 323.278 4.486 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000556872257 331745538 /nfs/dbraw/zinc/74/55/38/331745538.db2.gz WXWSGHLXDHCYBX-NLWGTHIKSA-N 1 0 323.484 4.085 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)C1CC1 ZINC000556913610 331752864 /nfs/dbraw/zinc/75/28/64/331752864.db2.gz UVPNESQXUWFWPK-SFHVURJKSA-N 1 0 302.437 4.260 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2sc(C)nc2C)cc1 ZINC000040445863 331909992 /nfs/dbraw/zinc/90/99/92/331909992.db2.gz PRXDMMRKXUKLKK-LBPRGKRZSA-N 1 0 302.443 4.176 20 30 DIEDRO C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)c1c(Cl)cccc1Cl ZINC000558506908 331915082 /nfs/dbraw/zinc/91/50/82/331915082.db2.gz VIHCTMAOQLIZQP-NWDGAFQWSA-N 1 0 310.228 4.130 20 30 DIEDRO C[C@H](C[NH2+]C[C@H](C#N)CCC#N)c1c(Cl)cccc1Cl ZINC000558506907 331915130 /nfs/dbraw/zinc/91/51/30/331915130.db2.gz VIHCTMAOQLIZQP-NEPJUHHUSA-N 1 0 310.228 4.130 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ncc(-c2ccccc2)n1C ZINC000517865203 331975051 /nfs/dbraw/zinc/97/50/51/331975051.db2.gz IYHHPHMQVMVJDG-KLAILNCOSA-N 1 0 322.456 4.068 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)ccc1OC ZINC000518248390 332000404 /nfs/dbraw/zinc/00/04/04/332000404.db2.gz GLCDHWHJHOCBFH-RDJZCZTQSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCOc2ccccc2)cc1Cl ZINC000518268693 332003278 /nfs/dbraw/zinc/00/32/78/332003278.db2.gz QBLSHHVKLXPHDG-UHFFFAOYSA-N 1 0 317.816 4.073 20 30 DIEDRO C=CCCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449290012 332004320 /nfs/dbraw/zinc/00/43/20/332004320.db2.gz CWCUWAWELCMCLA-UHFFFAOYSA-N 1 0 305.219 4.053 20 30 DIEDRO CCC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000518273803 332004682 /nfs/dbraw/zinc/00/46/82/332004682.db2.gz JMNLOXKCEHGBHK-UHFFFAOYSA-N 1 0 308.425 4.415 20 30 DIEDRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCCCC(C)(C)C#N ZINC000409447354 332031810 /nfs/dbraw/zinc/03/18/10/332031810.db2.gz QDIFZPDQLHQZDR-YJBOKZPZSA-N 1 0 300.446 4.030 20 30 DIEDRO C=CCCCC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000569419823 332079329 /nfs/dbraw/zinc/07/93/29/332079329.db2.gz HJWANCAQFJXVAQ-LJQANCHMSA-N 1 0 308.425 4.312 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1OC ZINC000090664623 332092022 /nfs/dbraw/zinc/09/20/22/332092022.db2.gz WPMWBVNJTJAMAK-CRAIPNDOSA-N 1 0 324.424 4.399 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000090665348 332092167 /nfs/dbraw/zinc/09/21/67/332092167.db2.gz RFLBZNZDXADWDL-OXQOHEQNSA-N 1 0 307.441 4.448 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000090665398 332092272 /nfs/dbraw/zinc/09/22/72/332092272.db2.gz OODDZLUTQLKVMQ-QAPCUYQASA-N 1 0 322.408 4.153 20 30 DIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)[C@@H](C)c1ccc(F)cc1 ZINC000410332558 332112090 /nfs/dbraw/zinc/11/20/90/332112090.db2.gz LAAYGZHNXIWAJY-INIZCTEOSA-N 1 0 318.436 4.309 20 30 DIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000569509188 332112495 /nfs/dbraw/zinc/11/24/95/332112495.db2.gz YJEQISYKSFAOLL-HOTGVXAUSA-N 1 0 308.425 4.043 20 30 DIEDRO C[N@H+](Cc1cc(Br)cs1)CC(C)(C)CCC#N ZINC000091888457 332113811 /nfs/dbraw/zinc/11/38/11/332113811.db2.gz NPJIRDYGUGEEKA-UHFFFAOYSA-N 1 0 315.280 4.272 20 30 DIEDRO CC(C)[N@H+](CCCCC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000410334831 332113829 /nfs/dbraw/zinc/11/38/29/332113829.db2.gz IJTMBCMFITZMGK-UHFFFAOYSA-N 1 0 314.473 4.366 20 30 DIEDRO Cc1cccc2oc(CC[NH2+][C@@H](C)c3ccc(C#N)cc3F)nc21 ZINC000410363386 332116533 /nfs/dbraw/zinc/11/65/33/332116533.db2.gz WJOWPKYDIHDUGS-ZDUSSCGKSA-N 1 0 323.371 4.040 20 30 DIEDRO COc1c2ccccc2oc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000569533880 332127950 /nfs/dbraw/zinc/12/79/50/332127950.db2.gz DWWGFPYCPAYRFA-KRWDZBQOSA-N 1 0 318.376 4.090 20 30 DIEDRO CC(C)C[C@@H](CNc1cc(C#N)ccn1)[NH2+][C@H](C)c1ccccc1 ZINC000569538026 332129649 /nfs/dbraw/zinc/12/96/49/332129649.db2.gz QVFLFRVYIHEIDP-APWZRJJASA-N 1 0 322.456 4.131 20 30 DIEDRO Cc1cc(CN(C)[C@H](C)CC#N)cc(C)c1OCc1ccccn1 ZINC000093090526 332133878 /nfs/dbraw/zinc/13/38/78/332133878.db2.gz MSIXELQQJVYHLH-QGZVFWFLSA-N 1 0 323.440 4.011 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000093594593 332140399 /nfs/dbraw/zinc/14/03/99/332140399.db2.gz RRCRVMIZUCCCQH-INIZCTEOSA-N 1 0 316.420 4.050 20 30 DIEDRO CSCC[C@H](C)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426993574 332164774 /nfs/dbraw/zinc/16/47/74/332164774.db2.gz DAHKQLPASXXZFS-ZDUSSCGKSA-N 1 0 315.404 4.130 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181319714 332191133 /nfs/dbraw/zinc/19/11/33/332191133.db2.gz GGGUUADFZIZDSO-HUUCEWRRSA-N 1 0 302.418 4.039 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000538196174 332209669 /nfs/dbraw/zinc/20/96/69/332209669.db2.gz XBLMIPRHEIUWJC-UONOGXRCSA-N 1 0 319.445 4.389 20 30 DIEDRO CCC(CC)CN(CCC#N)Cc1nc2cc(F)ccc2o1 ZINC000151689854 332224875 /nfs/dbraw/zinc/22/48/75/332224875.db2.gz YXLOQQRCYMORFL-UHFFFAOYSA-N 1 0 303.381 4.119 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559399593 332256247 /nfs/dbraw/zinc/25/62/47/332256247.db2.gz JMZDWUZCNBZKSU-MRXNPFEDSA-N 1 0 306.837 4.123 20 30 DIEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000448032677 332269590 /nfs/dbraw/zinc/26/95/90/332269590.db2.gz XFOVGBGOTNRXCJ-DOTOQJQBSA-N 1 0 321.436 4.390 20 30 DIEDRO C=CCCC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000448032680 332269977 /nfs/dbraw/zinc/26/99/77/332269977.db2.gz XFOVGBGOTNRXCJ-WBVHZDCISA-N 1 0 321.436 4.390 20 30 DIEDRO C=CCC(C)(C)C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000559876199 332288218 /nfs/dbraw/zinc/28/82/18/332288218.db2.gz DWYBUTVYPRWPQM-UHFFFAOYSA-N 1 0 308.416 4.126 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000560144328 332314567 /nfs/dbraw/zinc/31/45/67/332314567.db2.gz VRHFYXGNENXNPC-GOSISDBHSA-N 1 0 317.436 4.242 20 30 DIEDRO N#CC1(C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)CC1 ZINC000560181755 332317259 /nfs/dbraw/zinc/31/72/59/332317259.db2.gz CLIWEYIIQRRKIK-UHFFFAOYSA-N 1 0 308.450 4.021 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000387527882 332329407 /nfs/dbraw/zinc/32/94/07/332329407.db2.gz PKDGVQZGYFNRAA-AWEZNQCLSA-N 1 0 314.816 4.283 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000152960725 332332599 /nfs/dbraw/zinc/33/25/99/332332599.db2.gz IKDQMCZUJXYIIL-CQSZACIVSA-N 1 0 321.534 4.266 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccco1 ZINC000560520610 332349634 /nfs/dbraw/zinc/34/96/34/332349634.db2.gz RCFNZUIGPGBRPL-RTBURBONSA-N 1 0 312.457 4.049 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1cccc(OC)c1OC)c1ccco1 ZINC000560530248 332352654 /nfs/dbraw/zinc/35/26/54/332352654.db2.gz XMBYGRRZRRNKNR-INIZCTEOSA-N 1 0 315.413 4.136 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)cc1 ZINC000560571956 332362582 /nfs/dbraw/zinc/36/25/82/332362582.db2.gz PARAPJXSCHJYTK-VLIAUNLRSA-N 1 0 311.400 4.414 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000560572776 332362855 /nfs/dbraw/zinc/36/28/55/332362855.db2.gz BXLKPTDBHSSCJG-FQEVSTJZSA-N 1 0 306.409 4.364 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000237778387 332389490 /nfs/dbraw/zinc/38/94/90/332389490.db2.gz ZFYZOSZUYIGVNE-UHFFFAOYSA-N 1 0 314.816 4.312 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]CCCc1cn(-c2ccccc2)nc1C ZINC000560883428 332391731 /nfs/dbraw/zinc/39/17/31/332391731.db2.gz JCRGMMSGYHTCIQ-LJQANCHMSA-N 1 0 311.473 4.448 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]CC2(c3ccccc3)CC2)c1 ZINC000237821145 332392453 /nfs/dbraw/zinc/39/24/53/332392453.db2.gz RXBQIFWILHDLCO-UHFFFAOYSA-N 1 0 320.436 4.191 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1)c1ccccc1 ZINC000561160339 332418583 /nfs/dbraw/zinc/41/85/83/332418583.db2.gz DZUHYVLZCANLQZ-IBGZPJMESA-N 1 0 309.409 4.270 20 30 DIEDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151393814 332576030 /nfs/dbraw/zinc/57/60/30/332576030.db2.gz DPJNQXPOUARFOA-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO N#CC1(c2ccccn2)CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000562708446 332618721 /nfs/dbraw/zinc/61/87/21/332618721.db2.gz NWNAOBFKQXGCRN-BJMVGYQFSA-N 1 0 317.436 4.042 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000562900573 332638325 /nfs/dbraw/zinc/63/83/25/332638325.db2.gz AEAFCWWEZHWDNY-NOLJZWGESA-N 1 0 324.262 4.081 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464093548 332641934 /nfs/dbraw/zinc/64/19/34/332641934.db2.gz HILHRBAMYUGQFG-WOJBJXKFSA-N 1 0 312.501 4.199 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000569698360 332663412 /nfs/dbraw/zinc/66/34/12/332663412.db2.gz MTUNQUBHMKBXAD-UWWQBHOKSA-N 1 0 315.848 4.399 20 30 DIEDRO COc1ccc([C@@H](C)CC[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000569861214 332687239 /nfs/dbraw/zinc/68/72/39/332687239.db2.gz UYILDTOMKKABOY-BTYIYWSLSA-N 1 0 320.436 4.338 20 30 DIEDRO C=CCOc1cccc(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000569888109 332689639 /nfs/dbraw/zinc/68/96/39/332689639.db2.gz DTOOLIFIEWWOHV-UHFFFAOYSA-N 1 0 308.425 4.026 20 30 DIEDRO C=C(C)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000159870050 332717610 /nfs/dbraw/zinc/71/76/10/332717610.db2.gz CRANJAKMHGZDJC-GFCCVEGCSA-N 1 0 302.443 4.354 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(c3ccccc3)CCC1)CC2 ZINC000570438464 332755182 /nfs/dbraw/zinc/75/51/82/332755182.db2.gz FCLRNGDPUURITN-FQEVSTJZSA-N 1 0 302.421 4.257 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000466399614 333017894 /nfs/dbraw/zinc/01/78/94/333017894.db2.gz PCHZPEOJXPMXBR-ZDUSSCGKSA-N 1 0 317.414 4.163 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(OC(F)F)c1 ZINC000179578336 333025458 /nfs/dbraw/zinc/02/54/58/333025458.db2.gz YCGNTNKOROFIJT-NSHDSACASA-N 1 0 320.314 4.150 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768491 333054280 /nfs/dbraw/zinc/05/42/80/333054280.db2.gz NRFGZCOLDOAWKG-MRXNPFEDSA-N 1 0 324.424 4.227 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000378889603 333060409 /nfs/dbraw/zinc/06/04/09/333060409.db2.gz KJEQEJPCVBEVJU-CQSZACIVSA-N 1 0 312.369 4.010 20 30 DIEDRO Cc1cc(C[NH+]2CCC(CCC#N)CC2)c(OC(F)F)cc1C ZINC000518772354 333086180 /nfs/dbraw/zinc/08/61/80/333086180.db2.gz QVWIQLQMOZTUOT-UHFFFAOYSA-N 1 0 322.399 4.421 20 30 DIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCC(C)(C)C#N)c(OC)c1 ZINC000174812037 333090995 /nfs/dbraw/zinc/09/09/95/333090995.db2.gz YQALULZWSJRWJR-QGZVFWFLSA-N 1 0 316.445 4.171 20 30 DIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccc(N2CCCCC2)cc1 ZINC000174812286 333091090 /nfs/dbraw/zinc/09/10/90/333091090.db2.gz FAWYJODUNAUNOC-UHFFFAOYSA-N 1 0 313.489 4.439 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCCC2(C)C)cc1OCCCC#N ZINC000175868232 333105854 /nfs/dbraw/zinc/10/58/54/333105854.db2.gz TUAPQGBUKUSCAW-GOSISDBHSA-N 1 0 316.445 4.046 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CCC)Cc2ccccc2)CC1 ZINC000462049451 333115766 /nfs/dbraw/zinc/11/57/66/333115766.db2.gz NZVLKDCXLXTBQP-HXUWFJFHSA-N 1 0 300.490 4.028 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]CCCCC#N)c2cccc(Br)c21 ZINC000178647464 333141949 /nfs/dbraw/zinc/14/19/49/333141949.db2.gz DVMUGHFSOXECRQ-BXUZGUMPSA-N 1 0 307.235 4.281 20 30 DIEDRO C[C@H]([NH2+]CCCCC#N)c1cc(Cl)ccc1OC(F)F ZINC000178647811 333141968 /nfs/dbraw/zinc/14/19/68/333141968.db2.gz YUDPGNZIHUSTMU-JTQLQIEISA-N 1 0 302.752 4.286 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CCCC#N)ccc1OCc1ccccc1 ZINC000179711911 333154854 /nfs/dbraw/zinc/15/48/54/333154854.db2.gz FQXHOEIGKABNHC-INIZCTEOSA-N 1 0 324.424 4.229 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(OCC#N)cc1 ZINC000180542579 333162877 /nfs/dbraw/zinc/16/28/77/333162877.db2.gz KFPFLLPEEYTQMZ-YJYMSZOUSA-N 1 0 310.372 4.066 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181191050 333167997 /nfs/dbraw/zinc/16/79/97/333167997.db2.gz QYUUCRWRPUWLSF-SJLPKXTDSA-N 1 0 300.446 4.074 20 30 DIEDRO C[C@H]([NH2+]CCCSCC#N)c1cccc(C(F)(F)F)c1 ZINC000181615139 333170702 /nfs/dbraw/zinc/17/07/02/333170702.db2.gz CKYSTKAJUXHPHP-NSHDSACASA-N 1 0 302.365 4.003 20 30 DIEDRO N#CC1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000522712552 333173113 /nfs/dbraw/zinc/17/31/13/333173113.db2.gz WVNFUTSJUQOGNY-IWQZZHSRSA-N 1 0 319.246 4.088 20 30 DIEDRO C[C@@H]([NH2+]CCc1cc2ccccc2o1)c1ccc(OCC#N)cc1 ZINC000181984521 333174096 /nfs/dbraw/zinc/17/40/96/333174096.db2.gz WLEFBUUXVSWYMT-OAHLLOKOSA-N 1 0 320.392 4.228 20 30 DIEDRO COc1ccc2oc([C@@H](C)[NH2+]CCCSCC#N)c(C)c2c1 ZINC000184321304 333194975 /nfs/dbraw/zinc/19/49/75/333194975.db2.gz JROKGOJTIGWSMI-CYBMUJFWSA-N 1 0 318.442 4.047 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294478793 335123356 /nfs/dbraw/zinc/12/33/56/335123356.db2.gz XDTKIWHYKWSMNP-ZBFHGGJFSA-N 1 0 302.418 4.039 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000185779512 333213862 /nfs/dbraw/zinc/21/38/62/333213862.db2.gz BQYVOBKJIPYHLD-GXFFZTMASA-N 1 0 300.299 4.016 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000185847357 333214998 /nfs/dbraw/zinc/21/49/98/333214998.db2.gz UQBHVMJQVSRBMS-SWLSCSKDSA-N 1 0 301.821 4.036 20 30 DIEDRO COc1ccccc1C[C@H]([NH2+]CCCC(C)(C)C#N)C(C)C ZINC000185867095 333215145 /nfs/dbraw/zinc/21/51/45/333215145.db2.gz SYHPWHAYEPLRBH-KRWDZBQOSA-N 1 0 302.462 4.182 20 30 DIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000497263093 333228825 /nfs/dbraw/zinc/22/88/25/333228825.db2.gz RUCPKRJTEZDBPJ-XJKSGUPXSA-N 1 0 308.853 4.336 20 30 DIEDRO CCOc1ccc([C@H](CC)[NH2+]CC2(CC#N)CC2)cc1OCC ZINC000430739335 335129281 /nfs/dbraw/zinc/12/92/81/335129281.db2.gz HYEWFPNEOPZUEM-INIZCTEOSA-N 1 0 316.445 4.219 20 30 DIEDRO C=CCC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccco1 ZINC000514085947 333252181 /nfs/dbraw/zinc/25/21/81/333252181.db2.gz XPVOUTHOAUJNRG-IBGZPJMESA-N 1 0 321.424 4.305 20 30 DIEDRO C=CCC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccco1 ZINC000514085950 333252222 /nfs/dbraw/zinc/25/22/22/333252222.db2.gz XPVOUTHOAUJNRG-LJQANCHMSA-N 1 0 321.424 4.305 20 30 DIEDRO C[N@H+](CCOc1ccccc1C#N)Cc1ccc2ccccc2c1 ZINC000497584358 333265965 /nfs/dbraw/zinc/26/59/65/333265965.db2.gz FRLKCYPKQYWYHM-UHFFFAOYSA-N 1 0 316.404 4.222 20 30 DIEDRO CC[N@H+](Cc1cccc(F)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000497617501 333270279 /nfs/dbraw/zinc/27/02/79/333270279.db2.gz FSHCZBWYNOIYDK-CYBMUJFWSA-N 1 0 300.352 4.420 20 30 DIEDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497622054 333270828 /nfs/dbraw/zinc/27/08/28/333270828.db2.gz ZXLFXFAFHFFLPG-OAHLLOKOSA-N 1 0 323.396 4.092 20 30 DIEDRO N#CCCCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190598680 333272523 /nfs/dbraw/zinc/27/25/23/333272523.db2.gz FYAWJIYPXVGKOP-CYBMUJFWSA-N 1 0 313.264 4.245 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1csc(Cl)c1 ZINC000191355468 333279497 /nfs/dbraw/zinc/27/94/97/333279497.db2.gz VNMLDXNOONKSFF-LLVKDONJSA-N 1 0 306.818 4.155 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cnn1C(C)C ZINC000191388410 333279877 /nfs/dbraw/zinc/27/98/77/333279877.db2.gz QADVJWFQJQWTLL-BEFAXECRSA-N 1 0 310.445 4.468 20 30 DIEDRO CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000364328569 333288317 /nfs/dbraw/zinc/28/83/17/333288317.db2.gz DBNITWHXTGHGRD-MOPGFXCFSA-N 1 0 309.457 4.118 20 30 DIEDRO CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000364357264 333298093 /nfs/dbraw/zinc/29/80/93/333298093.db2.gz UVCYFZJIJALSHH-LJQANCHMSA-N 1 0 319.537 4.150 20 30 DIEDRO CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000188190984 333357739 /nfs/dbraw/zinc/35/77/39/333357739.db2.gz GJIHYHGBPCMGFS-QGZVFWFLSA-N 1 0 313.489 4.063 20 30 DIEDRO C=C(C)[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000295546123 335135708 /nfs/dbraw/zinc/13/57/08/335135708.db2.gz XYKXKQIJGOGGRX-PBHICJAKSA-N 1 0 307.384 4.273 20 30 DIEDRO C=C[C@@](C)(CC)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000188523448 333370946 /nfs/dbraw/zinc/37/09/46/333370946.db2.gz YNNBKZPADOTYFB-PXNSSMCTSA-N 1 0 320.521 4.092 20 30 DIEDRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC1(CC#N)CC1 ZINC000337249215 333444205 /nfs/dbraw/zinc/44/42/05/333444205.db2.gz JEHNBTMCMFCXKD-RAXLEYEMSA-N 1 0 308.347 4.392 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000338955571 333503149 /nfs/dbraw/zinc/50/31/49/333503149.db2.gz GDBWJWRXLLWCPO-HXUWFJFHSA-N 1 0 324.399 4.285 20 30 DIEDRO C[C@H]([NH2+]CCOCCC#N)c1ccccc1Oc1ccccc1 ZINC000339070275 333508078 /nfs/dbraw/zinc/50/80/78/333508078.db2.gz KUZCPYGLQWVOJU-INIZCTEOSA-N 1 0 310.397 4.060 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CC)c1ccc(C(F)(F)F)cc1 ZINC000339074428 333508252 /nfs/dbraw/zinc/50/82/52/333508252.db2.gz MFVBHTPHFKENRQ-GJZGRUSLSA-N 1 0 301.352 4.073 20 30 DIEDRO C#CC[C@H]([NH2+][C@@H]1CCCc2nc(Cl)ccc21)c1ccccc1 ZINC000296913426 335149842 /nfs/dbraw/zinc/14/98/42/335149842.db2.gz PKLCJNQLSUICGW-DLBZAZTESA-N 1 0 310.828 4.467 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H]1CCCc2nc(Cl)ccc21)c1ccccc1 ZINC000296913428 335149923 /nfs/dbraw/zinc/14/99/23/335149923.db2.gz PKLCJNQLSUICGW-IAGOWNOFSA-N 1 0 310.828 4.467 20 30 DIEDRO N#CC1(CC[NH+]2CCC(c3ccc(O)cc3)CC2)CCCCC1 ZINC000411125084 333634644 /nfs/dbraw/zinc/63/46/44/333634644.db2.gz JQWSXWJUBHZKKJ-UHFFFAOYSA-N 1 0 312.457 4.436 20 30 DIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000411449379 333675350 /nfs/dbraw/zinc/67/53/50/333675350.db2.gz GBQGYYSTRPSBGD-CQSZACIVSA-N 1 0 301.390 4.110 20 30 DIEDRO CC(C)([NH2+]CCC1(C#N)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000411760835 333705204 /nfs/dbraw/zinc/70/52/04/333705204.db2.gz TYRFFFXRTXBCRW-UHFFFAOYSA-N 1 0 315.417 4.284 20 30 DIEDRO C=CCCc1ccccc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412323624 333747165 /nfs/dbraw/zinc/74/71/65/333747165.db2.gz XFDQYNHFJBDGSC-JYJNAYRXSA-N 1 0 300.446 4.005 20 30 DIEDRO CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442827488 335157349 /nfs/dbraw/zinc/15/73/49/335157349.db2.gz PSEFTWNBWXTZKX-ZACQAIPSSA-N 1 0 302.487 4.456 20 30 DIEDRO CCOc1ccc([C@@H](CC)[NH2+]CC(C)(C)CC#N)cc1OCC ZINC000414160065 333914868 /nfs/dbraw/zinc/91/48/68/333914868.db2.gz CEWGUUOXFDJJBI-MRXNPFEDSA-N 1 0 318.461 4.465 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000436289722 333923289 /nfs/dbraw/zinc/92/32/89/333923289.db2.gz HCNHQCFHAJDEOX-LESCRADOSA-N 1 0 305.487 4.430 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000436289728 333923525 /nfs/dbraw/zinc/92/35/25/333923525.db2.gz HCNHQCFHAJDEOX-ZVZYQTTQSA-N 1 0 305.487 4.430 20 30 DIEDRO CC(C)(C)c1ccncc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000414234064 333927641 /nfs/dbraw/zinc/92/76/41/333927641.db2.gz SGHKURTXWHVIRU-IBGZPJMESA-N 1 0 305.425 4.028 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000264585946 333958487 /nfs/dbraw/zinc/95/84/87/333958487.db2.gz XFXLZTIJRZFBJW-HXUWFJFHSA-N 1 0 324.399 4.359 20 30 DIEDRO COc1cc([C@H](C)[NH2+]CCCCC#N)ccc1OCCC(C)C ZINC000268911998 333995955 /nfs/dbraw/zinc/99/59/55/333995955.db2.gz OJXRLXKDIGBFDC-INIZCTEOSA-N 1 0 318.461 4.465 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccn1 ZINC000271059468 334017809 /nfs/dbraw/zinc/01/78/09/334017809.db2.gz FUMXCCJSYOYASS-VQSBYGRUSA-N 1 0 305.425 4.136 20 30 DIEDRO N#CCCCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000271136255 334019253 /nfs/dbraw/zinc/01/92/53/334019253.db2.gz MXVLXRUPGKJERP-SFHVURJKSA-N 1 0 313.832 4.302 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)ccc1F ZINC000271517156 334024175 /nfs/dbraw/zinc/02/41/75/334024175.db2.gz UFMYWQVEBJYVLU-LSDHHAIUSA-N 1 0 312.388 4.448 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000271699509 334025614 /nfs/dbraw/zinc/02/56/14/334025614.db2.gz HELDHFVDTMRFIO-CQSZACIVSA-N 1 0 323.396 4.247 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1 ZINC000271685959 334025649 /nfs/dbraw/zinc/02/56/49/334025649.db2.gz PWDCWOOQXIAJFE-OAHLLOKOSA-N 1 0 308.425 4.347 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000271829744 334027511 /nfs/dbraw/zinc/02/75/11/334027511.db2.gz DRKHJUUXJRVEQO-OXQOHEQNSA-N 1 0 304.393 4.004 20 30 DIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000271863448 334027798 /nfs/dbraw/zinc/02/77/98/334027798.db2.gz KWOROVQCPUXGQN-LSDHHAIUSA-N 1 0 312.388 4.182 20 30 DIEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000271879835 334028380 /nfs/dbraw/zinc/02/83/80/334028380.db2.gz PCZUWZZXCHBYRJ-IFXJQAMLSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271989251 334029477 /nfs/dbraw/zinc/02/94/77/334029477.db2.gz YSNSNEKJUUDLNL-KUHUBIRLSA-N 1 0 307.372 4.393 20 30 DIEDRO CCN(C)c1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267884 334032262 /nfs/dbraw/zinc/03/22/62/334032262.db2.gz MSCJSKYQGNPKIA-INIZCTEOSA-N 1 0 319.452 4.354 20 30 DIEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000343521420 335174257 /nfs/dbraw/zinc/17/42/57/335174257.db2.gz UUOABEGNDLUJMQ-SFHVURJKSA-N 1 0 300.352 4.120 20 30 DIEDRO C[C@H]([NH2+]CCCC#N)c1ccc(SCC(F)(F)F)cc1 ZINC000273202755 334044107 /nfs/dbraw/zinc/04/41/07/334044107.db2.gz IYHJSSLBINURBL-NSHDSACASA-N 1 0 302.365 4.295 20 30 DIEDRO N#CCCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000273291571 334044993 /nfs/dbraw/zinc/04/49/93/334044993.db2.gz SGIBWJBHLVICEV-CQSZACIVSA-N 1 0 315.417 4.220 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C1 ZINC000274226619 334057329 /nfs/dbraw/zinc/05/73/29/334057329.db2.gz RGLBPCTZXJVYMY-PWSUYJOCSA-N 1 0 305.834 4.122 20 30 DIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000274574456 334063502 /nfs/dbraw/zinc/06/35/02/334063502.db2.gz BKYYMUHSFQLQCP-UXLLHSPISA-N 1 0 316.445 4.217 20 30 DIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(OCC4CC4)cc3)CC2)c1 ZINC000276586296 334082765 /nfs/dbraw/zinc/08/27/65/334082765.db2.gz CSJVQQWYXIWLJO-UHFFFAOYSA-N 1 0 318.420 4.126 20 30 DIEDRO COc1ccc([C@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)cc1 ZINC000277574943 334089191 /nfs/dbraw/zinc/08/91/91/334089191.db2.gz BQYCBNZWWLHDAA-KRWDZBQOSA-N 1 0 300.446 4.205 20 30 DIEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000277628660 334089516 /nfs/dbraw/zinc/08/95/16/334089516.db2.gz GRFHWUOPNQVYDN-FUHWJXTLSA-N 1 0 300.446 4.168 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000277881968 334091763 /nfs/dbraw/zinc/09/17/63/334091763.db2.gz ZFZIEGAQHZYYAG-HZPDHXFCSA-N 1 0 320.502 4.356 20 30 DIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(C)(C)CCC#N ZINC000278848391 334102240 /nfs/dbraw/zinc/10/22/40/334102240.db2.gz DCGCIANLFUDLCM-MRXNPFEDSA-N 1 0 308.853 4.289 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000278846390 334102245 /nfs/dbraw/zinc/10/22/45/334102245.db2.gz REOKATPBIYBRHI-KRWDZBQOSA-N 1 0 300.446 4.107 20 30 DIEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000278878070 334102468 /nfs/dbraw/zinc/10/24/68/334102468.db2.gz HSBCJFFHULTOTL-SECBINFHSA-N 1 0 305.369 4.142 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(OCC#N)cc1 ZINC000280726095 334119467 /nfs/dbraw/zinc/11/94/67/334119467.db2.gz GIRHGMDQLPZKIH-DJIMGWMZSA-N 1 0 324.399 4.325 20 30 DIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc2ccccc2o1 ZINC000281426745 334125991 /nfs/dbraw/zinc/12/59/91/334125991.db2.gz SDUOUNFMCQGBQC-OAHLLOKOSA-N 1 0 312.413 4.184 20 30 DIEDRO N#CCCCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000281410976 334126012 /nfs/dbraw/zinc/12/60/12/334126012.db2.gz PRFGFQQBIKJYAH-UHFFFAOYSA-N 1 0 321.262 4.322 20 30 DIEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281888643 334129356 /nfs/dbraw/zinc/12/93/56/334129356.db2.gz DPLUZAXADSJPNC-OAHLLOKOSA-N 1 0 320.864 4.433 20 30 DIEDRO CC[C@H](C)[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282001887 334130440 /nfs/dbraw/zinc/13/04/40/334130440.db2.gz NPYAEYVCUKAZSV-SFHVURJKSA-N 1 0 314.473 4.388 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000282466105 334134829 /nfs/dbraw/zinc/13/48/29/334134829.db2.gz UHLVNYZAHAPJBO-UHFFFAOYSA-N 1 0 317.483 4.291 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000282773763 334136980 /nfs/dbraw/zinc/13/69/80/334136980.db2.gz PDFUTLRNOQLABJ-UONOGXRCSA-N 1 0 308.372 4.065 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000284195957 334142786 /nfs/dbraw/zinc/14/27/86/334142786.db2.gz GHLJDTGCJMFDRU-CHKNCPMRSA-N 1 0 312.457 4.107 20 30 DIEDRO COC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(Cl)c1F ZINC000286970000 334155243 /nfs/dbraw/zinc/15/52/43/334155243.db2.gz IKRCSBHSTUSBFW-ZUEPYMLJSA-N 1 0 324.827 4.086 20 30 DIEDRO CC(C)(C#N)CCCC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000287029530 334156054 /nfs/dbraw/zinc/15/60/54/334156054.db2.gz SCODYELGXLXHOI-MRXNPFEDSA-N 1 0 308.853 4.073 20 30 DIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(Oc2cccnc2)cc1 ZINC000289395545 334164840 /nfs/dbraw/zinc/16/48/40/334164840.db2.gz KLLVPCFHFNMHIS-HNNXBMFYSA-N 1 0 309.413 4.464 20 30 DIEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCOC(C)(C)C1 ZINC000289923773 334169518 /nfs/dbraw/zinc/16/95/18/334169518.db2.gz UMLRWGULGASEEA-QGZVFWFLSA-N 1 0 314.473 4.267 20 30 DIEDRO COCc1ccccc1/C=C(/C)C[NH2+]CC(C)(C)CCC#N ZINC000353526990 334173575 /nfs/dbraw/zinc/17/35/75/334173575.db2.gz KMBRWBFOBLZDFR-VBKFSLOCSA-N 1 0 300.446 4.156 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000291687968 334180823 /nfs/dbraw/zinc/18/08/23/334180823.db2.gz XVLJCJDLUVNLTB-CHWSQXEVSA-N 1 0 315.417 4.121 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)cc1 ZINC000414920996 334181653 /nfs/dbraw/zinc/18/16/53/334181653.db2.gz ZWVBAXCLFITCGL-FQEVSTJZSA-N 1 0 308.425 4.001 20 30 DIEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](C#N)CCC#N ZINC000293159942 334196268 /nfs/dbraw/zinc/19/62/68/334196268.db2.gz UUZQGVSQGHFHTM-WMZOPIPTSA-N 1 0 317.864 4.330 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)C1 ZINC000293522817 334198616 /nfs/dbraw/zinc/19/86/16/334198616.db2.gz IUIJMYPDEUZQFE-CZUORRHYSA-N 1 0 311.404 4.179 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562555 334199100 /nfs/dbraw/zinc/19/91/00/334199100.db2.gz MGGZYVUIHDSKOP-XPKDYRNWSA-N 1 0 306.862 4.199 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1ccc(OCC#N)cc1 ZINC000293676717 334200651 /nfs/dbraw/zinc/20/06/51/334200651.db2.gz NAIUDUCUDMMAHW-LSDHHAIUSA-N 1 0 322.399 4.455 20 30 DIEDRO CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000340441726 334202428 /nfs/dbraw/zinc/20/24/28/334202428.db2.gz DKEBXSRBXUFAGO-XLIONFOSSA-N 1 0 324.472 4.420 20 30 DIEDRO CC(C)n1ccc(C[C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000340441730 334202444 /nfs/dbraw/zinc/20/24/44/334202444.db2.gz DKEBXSRBXUFAGO-YLJYHZDGSA-N 1 0 324.472 4.420 20 30 DIEDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340448436 334204676 /nfs/dbraw/zinc/20/46/76/334204676.db2.gz TUCXEQBGBRNNOS-IPMKNSEASA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(C2CC2)c1 ZINC000294880879 334213984 /nfs/dbraw/zinc/21/39/84/334213984.db2.gz UTKFRJUMMXAEQO-OAHLLOKOSA-N 1 0 306.409 4.317 20 30 DIEDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294957521 334214811 /nfs/dbraw/zinc/21/48/11/334214811.db2.gz DNWFSSHPTYZTIK-BPUTZDHNSA-N 1 0 322.399 4.281 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000295083807 334218151 /nfs/dbraw/zinc/21/81/51/334218151.db2.gz QRVIAVWRBAUWBK-RYUDHWBXSA-N 1 0 303.456 4.044 20 30 DIEDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295128568 334219091 /nfs/dbraw/zinc/21/90/91/334219091.db2.gz XQUFUOMKZDXCQW-QPSCCSFWSA-N 1 0 313.470 4.460 20 30 DIEDRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295137149 334219602 /nfs/dbraw/zinc/21/96/02/334219602.db2.gz YXRCCKFAQNGLFS-GWCFXTLKSA-N 1 0 313.228 4.174 20 30 DIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(OCC#N)cc1 ZINC000296357489 334232907 /nfs/dbraw/zinc/23/29/07/334232907.db2.gz IPYIFTMFDUAYEC-ZRGWGRIASA-N 1 0 322.408 4.152 20 30 DIEDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000296373568 334233030 /nfs/dbraw/zinc/23/30/30/334233030.db2.gz JHONOGZSOUQJIX-IPYPFGDCSA-N 1 0 306.837 4.472 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2ccccc2)cc1 ZINC000296388347 334233377 /nfs/dbraw/zinc/23/33/77/334233377.db2.gz JYMLOGKWBJRBLD-NBHGPNQESA-N 1 0 320.436 4.457 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Br)cs1 ZINC000296522906 334234812 /nfs/dbraw/zinc/23/48/12/334234812.db2.gz QBEBLUCCBKPBPK-NHCYSSNCSA-N 1 0 313.264 4.244 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000299721968 334257497 /nfs/dbraw/zinc/25/74/97/334257497.db2.gz SNFBWQHBIOCWCW-JKSUJKDBSA-N 1 0 309.413 4.003 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000187713310 334269339 /nfs/dbraw/zinc/26/93/39/334269339.db2.gz UFMRVIPOIOXOMS-KRWDZBQOSA-N 1 0 319.452 4.220 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000187708675 334269392 /nfs/dbraw/zinc/26/93/92/334269392.db2.gz MBNZJJANNJNOTF-INIZCTEOSA-N 1 0 312.457 4.290 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1OC ZINC000048714810 334297525 /nfs/dbraw/zinc/29/75/25/334297525.db2.gz XTTORLQAOISZGG-HNNXBMFYSA-N 1 0 324.424 4.206 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1OCCCC#N ZINC000120004937 334298514 /nfs/dbraw/zinc/29/85/14/334298514.db2.gz RWKULMGTQQLDIK-DOTOQJQBSA-N 1 0 316.445 4.046 20 30 DIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303962001 334350426 /nfs/dbraw/zinc/35/04/26/334350426.db2.gz ZYWAUSYCEPUNDD-RTBURBONSA-N 1 0 312.457 4.118 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000541897497 334352056 /nfs/dbraw/zinc/35/20/56/334352056.db2.gz FDNSRKYDPKGPIR-ZDUSSCGKSA-N 1 0 305.443 4.320 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000535069998 334364002 /nfs/dbraw/zinc/36/40/02/334364002.db2.gz WLMKQMIRNUJOGM-UHFFFAOYSA-N 1 0 314.473 4.367 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000341683766 334469999 /nfs/dbraw/zinc/46/99/99/334469999.db2.gz MVWTZARQKYIHJB-WOJBJXKFSA-N 1 0 306.384 4.352 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCOc2ccccc21 ZINC000341694970 334471146 /nfs/dbraw/zinc/47/11/46/334471146.db2.gz AJHCUSJBHJNUQH-WOJBJXKFSA-N 1 0 318.420 4.439 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCOc2ccccc21 ZINC000341694968 334471227 /nfs/dbraw/zinc/47/12/27/334471227.db2.gz AJHCUSJBHJNUQH-VQTJNVASSA-N 1 0 318.420 4.439 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000341712400 334473004 /nfs/dbraw/zinc/47/30/04/334473004.db2.gz XASVZBAFAKXCFV-VBKZILBWSA-N 1 0 301.393 4.158 20 30 DIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000341760440 334477963 /nfs/dbraw/zinc/47/79/63/334477963.db2.gz MHLXCNSFFQULFT-ZNOIYHFQSA-N 1 0 306.409 4.442 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc2ccccc2o1 ZINC000341760411 334478112 /nfs/dbraw/zinc/47/81/12/334478112.db2.gz LMPLDVOQXVHIQN-LJQANCHMSA-N 1 0 302.377 4.472 20 30 DIEDRO COc1ccc(C)cc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341820213 334482289 /nfs/dbraw/zinc/48/22/89/334482289.db2.gz XWMSRZRXQHWUHZ-LJQANCHMSA-N 1 0 306.409 4.043 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000341941927 334494601 /nfs/dbraw/zinc/49/46/01/334494601.db2.gz INOZAVBQIFWXSN-SCTDSRPQSA-N 1 0 314.473 4.073 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccccc1C(F)(F)F ZINC000341995686 334499307 /nfs/dbraw/zinc/49/93/07/334499307.db2.gz HBAXGBMAGJYLPN-LLVKDONJSA-N 1 0 302.365 4.003 20 30 DIEDRO Cc1csc(C2([NH2+]Cc3ccc(CC#N)cc3)CCCC2)n1 ZINC000342750158 334566697 /nfs/dbraw/zinc/56/66/97/334566697.db2.gz LODGJIWZSYEMEQ-UHFFFAOYSA-N 1 0 311.454 4.077 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415582669 334615537 /nfs/dbraw/zinc/61/55/37/334615537.db2.gz POQPSTJWZSBPOS-INIZCTEOSA-N 1 0 317.477 4.033 20 30 DIEDRO C=CC[C@@H]1N(C(=O)Nc2ccccc2C[NH2+]C)CCCC1(C)C ZINC000415925069 334632854 /nfs/dbraw/zinc/63/28/54/334632854.db2.gz SMRKYPAVFBROSI-KRWDZBQOSA-N 1 0 315.461 4.005 20 30 DIEDRO C=CCCc1ccccc1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416223431 334655105 /nfs/dbraw/zinc/65/51/05/334655105.db2.gz HDFWWCWUDZYXCW-HXUWFJFHSA-N 1 0 322.452 4.437 20 30 DIEDRO Cc1cc(CNc2cccc(C[NH+]3CCCCC3)c2)ccc1C#N ZINC000443971825 338464717 /nfs/dbraw/zinc/46/47/17/338464717.db2.gz WBFZHCKCTJYWCQ-UHFFFAOYSA-N 1 0 319.452 4.465 20 30 DIEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cnn1C(C)C ZINC000417365720 334741500 /nfs/dbraw/zinc/74/15/00/334741500.db2.gz MHPNBPXWQNDXRI-VLIAUNLRSA-N 1 0 322.456 4.372 20 30 DIEDRO Cc1cc(C[NH2+]CCCO[C@H](C)c2ccccc2)ccc1C#N ZINC000443972267 338464958 /nfs/dbraw/zinc/46/49/58/338464958.db2.gz XMJIFBGFUJGDGP-QGZVFWFLSA-N 1 0 308.425 4.124 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCC2)C1 ZINC000425962497 334865561 /nfs/dbraw/zinc/86/55/61/334865561.db2.gz YKWVJCPUWBMONB-RDJZCZTQSA-N 1 0 302.849 4.477 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)CN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000344047971 335212993 /nfs/dbraw/zinc/21/29/93/335212993.db2.gz KORQHONGRRLJKZ-DYESRHJHSA-N 1 0 321.468 4.119 20 30 DIEDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1cccc(C#N)c1 ZINC000344175824 335227537 /nfs/dbraw/zinc/22/75/37/335227537.db2.gz SXIUQXFICQKZTO-CYBMUJFWSA-N 1 0 307.372 4.072 20 30 DIEDRO CS[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C(C)(C)C ZINC000344311194 335239713 /nfs/dbraw/zinc/23/97/13/335239713.db2.gz WTKVJJGELVLOSR-KRWDZBQOSA-N 1 0 320.502 4.236 20 30 DIEDRO N#CCCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000344369881 335244996 /nfs/dbraw/zinc/24/49/96/335244996.db2.gz WYOSVAJWXFIUIP-UHFFFAOYSA-N 1 0 302.324 4.150 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3cccnc3)cc2)c(F)c1 ZINC000344602364 335263071 /nfs/dbraw/zinc/26/30/71/335263071.db2.gz IUNFMMPIZAQCFW-UHFFFAOYSA-N 1 0 317.367 4.049 20 30 DIEDRO Cc1ccc(C)c(N2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444649854 338478728 /nfs/dbraw/zinc/47/87/28/338478728.db2.gz KUOWUYGAYYSDCF-UHFFFAOYSA-N 1 0 313.489 4.146 20 30 DIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1Oc2ccccc2[C@H]1C ZINC000444670466 338480905 /nfs/dbraw/zinc/48/09/05/338480905.db2.gz IPQWZYRZYGAHCG-VKJFTORMSA-N 1 0 300.446 4.249 20 30 DIEDRO C=CCOCCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000347968524 335537874 /nfs/dbraw/zinc/53/78/74/335537874.db2.gz RNDFBLRXEQMDDI-UHFFFAOYSA-N 1 0 316.470 4.068 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000348205540 335565740 /nfs/dbraw/zinc/56/57/40/335565740.db2.gz JRGOLKKHQNVSJS-SFHVURJKSA-N 1 0 311.404 4.230 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCCSC1 ZINC000348206111 335565830 /nfs/dbraw/zinc/56/58/30/335565830.db2.gz KVPPZOIUBCEAAU-QAPCUYQASA-N 1 0 300.471 4.059 20 30 DIEDRO CC(C)[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000348205514 335565837 /nfs/dbraw/zinc/56/58/37/335565837.db2.gz JEJJQCQXMBTTFO-INIZCTEOSA-N 1 0 315.417 4.150 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000348249393 335567556 /nfs/dbraw/zinc/56/75/56/335567556.db2.gz YKXFTVCISWEHQH-GOSISDBHSA-N 1 0 311.404 4.230 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)c1ccc(C#N)cc1 ZINC000348319027 335576247 /nfs/dbraw/zinc/57/62/47/335576247.db2.gz LKMDZPWSNPUDED-KHDYIWLOSA-N 1 0 310.372 4.260 20 30 DIEDRO COc1cc(C[NH2+]C(C)(C)CCc2ccccc2)ccc1C#N ZINC000323789948 335583002 /nfs/dbraw/zinc/58/30/02/335583002.db2.gz DEMNHGBPZZREMQ-UHFFFAOYSA-N 1 0 308.425 4.068 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1OC(F)F ZINC000093492242 335652808 /nfs/dbraw/zinc/65/28/08/335652808.db2.gz RRQOKJKKNVDNRW-JTQLQIEISA-N 1 0 308.353 4.072 20 30 DIEDRO N#CC1(NC(=O)C[NH2+][C@@H]2CCCCC23CCCC3)CCCCC1 ZINC000329603914 336003796 /nfs/dbraw/zinc/00/37/96/336003796.db2.gz GOESHPQYBWIALA-MRXNPFEDSA-N 1 0 317.477 4.262 20 30 DIEDRO C[C@H](CCC#N)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000351494374 336038349 /nfs/dbraw/zinc/03/83/49/336038349.db2.gz RBPSUDCVGFDZPR-CYBMUJFWSA-N 1 0 321.262 4.105 20 30 DIEDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)on1 ZINC000331822910 336149956 /nfs/dbraw/zinc/14/99/56/336149956.db2.gz MMPYRTHVDQUGRV-QGZVFWFLSA-N 1 0 309.413 4.121 20 30 DIEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332180161 336161810 /nfs/dbraw/zinc/16/18/10/336161810.db2.gz VJWSXVRDQFLQLA-INIZCTEOSA-N 1 0 324.428 4.009 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000352249916 336206767 /nfs/dbraw/zinc/20/67/67/336206767.db2.gz ANYSXEWLEDXXHB-GOSISDBHSA-N 1 0 324.424 4.125 20 30 DIEDRO CC1(c2ccccc2)CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352811041 336244867 /nfs/dbraw/zinc/24/48/67/336244867.db2.gz PSVSQUWJEOGDCD-UHFFFAOYSA-N 1 0 311.454 4.005 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)n1 ZINC000532538229 336255373 /nfs/dbraw/zinc/25/53/73/336255373.db2.gz DQVBLQPLNVUJHI-LJQANCHMSA-N 1 0 310.828 4.232 20 30 DIEDRO N#Cc1ccc(CNc2cccc(C[NH+]3CCCCC3)c2)c(F)c1 ZINC000532587988 336256601 /nfs/dbraw/zinc/25/66/01/336256601.db2.gz KQRCZBYRWFAFPL-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO COc1ccc(CN(C)[C@H](C)c2cc(F)ccc2F)cc1C#N ZINC000532745848 336269414 /nfs/dbraw/zinc/26/94/14/336269414.db2.gz KHJFLLDWKRFMRR-GFCCVEGCSA-N 1 0 316.351 4.038 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000192905306 336283782 /nfs/dbraw/zinc/28/37/82/336283782.db2.gz DUODSTQBOJZVDT-LBPRGKRZSA-N 1 0 302.324 4.010 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC000192909256 336284150 /nfs/dbraw/zinc/28/41/50/336284150.db2.gz VODNTKKZRHJYSZ-UWJYYQICSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC000192909294 336284229 /nfs/dbraw/zinc/28/42/29/336284229.db2.gz VODNTKKZRHJYSZ-DYESRHJHSA-N 1 0 319.452 4.046 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(F)c(F)c1 ZINC000192977808 336286405 /nfs/dbraw/zinc/28/64/05/336286405.db2.gz UHUGGXIMRCHKSF-QWHCGFSZSA-N 1 0 316.351 4.279 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccc(OC)cc1 ZINC000192999246 336286721 /nfs/dbraw/zinc/28/67/21/336286721.db2.gz YBAWNDSAQAPDGH-QRWLVFNGSA-N 1 0 324.424 4.399 20 30 DIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000193004419 336286892 /nfs/dbraw/zinc/28/68/92/336286892.db2.gz CDSMZAYXMJIUJK-FOIQADDNSA-N 1 0 306.409 4.391 20 30 DIEDRO N#Cc1c(F)cccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000301058729 336287646 /nfs/dbraw/zinc/28/76/46/336287646.db2.gz DNCAFVCHQNCKOD-UHFFFAOYSA-N 1 0 323.415 4.295 20 30 DIEDRO N#Cc1cccc(Cl)c1NC[C@H](c1ccco1)N1CCCC1 ZINC000301168397 336293009 /nfs/dbraw/zinc/29/30/09/336293009.db2.gz FKTDROMZRMVYIL-OAHLLOKOSA-N 1 0 315.804 4.054 20 30 DIEDRO CC[N@H+](C)Cc1cccc(CNc2ccc(Cl)cc2C#N)c1 ZINC000301233209 336296009 /nfs/dbraw/zinc/29/60/09/336296009.db2.gz KJIHYQGLDWUMNO-UHFFFAOYSA-N 1 0 313.832 4.275 20 30 DIEDRO CC[N@H+](C)Cc1cccc(CNc2ccc(C#N)c(Cl)c2)c1 ZINC000301272446 336297983 /nfs/dbraw/zinc/29/79/83/336297983.db2.gz XYDMPTDZLHNERV-UHFFFAOYSA-N 1 0 313.832 4.275 20 30 DIEDRO N#Cc1cc(Cl)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000301566292 336315405 /nfs/dbraw/zinc/31/54/05/336315405.db2.gz VRVHXCHAFVBNFY-UHFFFAOYSA-N 1 0 303.837 4.031 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2ncccc2C#N)cc1 ZINC000301986686 336341527 /nfs/dbraw/zinc/34/15/27/336341527.db2.gz KKFZIOXQRQLAEE-OAHLLOKOSA-N 1 0 306.413 4.071 20 30 DIEDRO C[C@H]1CCC[N@H+](CCCCNc2ccc3cc(C#N)ccc3n2)C1 ZINC000301991135 336341865 /nfs/dbraw/zinc/34/18/65/336341865.db2.gz XYKPHBRVCBDFMZ-INIZCTEOSA-N 1 0 322.456 4.030 20 30 DIEDRO C=C(C)C[NH+]1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302189755 336353069 /nfs/dbraw/zinc/35/30/69/336353069.db2.gz YBTJPHDCAVQIRG-UHFFFAOYSA-N 1 0 323.362 4.029 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(F)cc3cccnc32)cc1 ZINC000352953626 336379023 /nfs/dbraw/zinc/37/90/23/336379023.db2.gz RKULMUXRCLOSTC-UHFFFAOYSA-N 1 0 322.383 4.229 20 30 DIEDRO C[NH+](C)CCSCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193068391 336392945 /nfs/dbraw/zinc/39/29/45/336392945.db2.gz LOSNFNWHHMONQA-UHFFFAOYSA-N 1 0 324.493 4.181 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOc3ccc(F)cc31)CC2 ZINC000353259312 336408495 /nfs/dbraw/zinc/40/84/95/336408495.db2.gz RZGNTOFGMKRQKW-RBUKOAKNSA-N 1 0 322.383 4.188 20 30 DIEDRO N#CCCCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353533432 336423096 /nfs/dbraw/zinc/42/30/96/336423096.db2.gz FQNPOPHCBDYDGH-LJQANCHMSA-N 1 0 305.381 4.201 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3ccc(F)cc31)CC2 ZINC000353583270 336426806 /nfs/dbraw/zinc/42/68/06/336426806.db2.gz XMDVORXWRIMXKV-UXHICEINSA-N 1 0 306.384 4.352 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2cnc3ccsc3c2)ccc1C#N ZINC000353604869 336428153 /nfs/dbraw/zinc/42/81/53/336428153.db2.gz AWHXLVDJIXPXIH-LBPRGKRZSA-N 1 0 323.421 4.027 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccco1 ZINC000353623739 336429576 /nfs/dbraw/zinc/42/95/76/336429576.db2.gz RUJPLHKXNSFIMD-HZPDHXFCSA-N 1 0 313.397 4.107 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCCC1CCOCC1)c1ccccc1 ZINC000353902418 336447019 /nfs/dbraw/zinc/44/70/19/336447019.db2.gz TYAFXDPIZQXKRR-LJQANCHMSA-N 1 0 300.446 4.218 20 30 DIEDRO CCOc1cccc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000353916239 336448103 /nfs/dbraw/zinc/44/81/03/336448103.db2.gz PLCNPEDVMJZCBE-GOSISDBHSA-N 1 0 309.413 4.005 20 30 DIEDRO N#CCCCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000354960546 336489119 /nfs/dbraw/zinc/48/91/19/336489119.db2.gz ONWREINGFFOWSV-SFHVURJKSA-N 1 0 313.832 4.302 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000358347514 336625246 /nfs/dbraw/zinc/62/52/46/336625246.db2.gz BSFKFVDTHHSJBQ-MRXNPFEDSA-N 1 0 309.837 4.044 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000358347511 336625251 /nfs/dbraw/zinc/62/52/51/336625251.db2.gz BSFKFVDTHHSJBQ-INIZCTEOSA-N 1 0 309.837 4.044 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000360655208 336717571 /nfs/dbraw/zinc/71/75/71/336717571.db2.gz CDRXRCMKLIAJKU-NHCUHLMSSA-N 1 0 317.436 4.462 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(F)c(F)c1 ZINC000360836931 336723762 /nfs/dbraw/zinc/72/37/62/336723762.db2.gz NNDHHGZOJJZIJM-IBGZPJMESA-N 1 0 312.363 4.394 20 30 DIEDRO CSCCCCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360883213 336725593 /nfs/dbraw/zinc/72/55/93/336725593.db2.gz JIMPZMYXHKMUFS-SFHVURJKSA-N 1 0 302.487 4.449 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[NH+]1CCC(C)(C#N)CC1 ZINC000361348729 336752791 /nfs/dbraw/zinc/75/27/91/336752791.db2.gz NDYKIZAYYXXZHE-UHFFFAOYSA-N 1 0 324.472 4.141 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367828287 336830270 /nfs/dbraw/zinc/83/02/70/336830270.db2.gz SXUSBCNAWVTTGP-ZOCZFRKYSA-N 1 0 320.436 4.443 20 30 DIEDRO N#CCSCCC[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000369567057 336867516 /nfs/dbraw/zinc/86/75/16/336867516.db2.gz RJDLGANWHLVBNA-UHFFFAOYSA-N 1 0 322.424 4.091 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2[nH]ccc21 ZINC000418143901 336896599 /nfs/dbraw/zinc/89/65/99/336896599.db2.gz JKYFYPJBLZWEPJ-HXUWFJFHSA-N 1 0 301.393 4.207 20 30 DIEDRO CC(C)n1ncc2c1[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000372084024 336921695 /nfs/dbraw/zinc/92/16/95/336921695.db2.gz QADRZZIONXVXMJ-KSSFIOAISA-N 1 0 308.429 4.064 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373494749 336962192 /nfs/dbraw/zinc/96/21/92/336962192.db2.gz LIVMQTCVDXSIFZ-FHERZECASA-N 1 0 318.427 4.126 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000375404371 337010421 /nfs/dbraw/zinc/01/04/21/337010421.db2.gz MCYMVKOIEPYDTN-RBUKOAKNSA-N 1 0 309.457 4.478 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000375404368 337010563 /nfs/dbraw/zinc/01/05/63/337010563.db2.gz MCYMVKOIEPYDTN-OALUTQOASA-N 1 0 309.457 4.478 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000375639198 337015348 /nfs/dbraw/zinc/01/53/48/337015348.db2.gz LXPZNYKXSBSBHW-SNRMKQJTSA-N 1 0 306.409 4.013 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccco1 ZINC000375842900 337021106 /nfs/dbraw/zinc/02/11/06/337021106.db2.gz XANBAVRCJWVMNW-ROUUACIJSA-N 1 0 324.424 4.374 20 30 DIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000375930122 337023458 /nfs/dbraw/zinc/02/34/58/337023458.db2.gz FIGISOCHDUQBBF-UHFFFAOYSA-N 1 0 317.452 4.422 20 30 DIEDRO CC[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(C#N)cc1 ZINC000376133213 337028104 /nfs/dbraw/zinc/02/81/04/337028104.db2.gz SOPCMMXFBDSKKC-SFHVURJKSA-N 1 0 305.425 4.116 20 30 DIEDRO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC(CC#N)CC1 ZINC000582697363 337121644 /nfs/dbraw/zinc/12/16/44/337121644.db2.gz AALFFDHFPVROSC-OWBHPGMISA-N 1 0 320.383 4.317 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000173398437 337135670 /nfs/dbraw/zinc/13/56/70/337135670.db2.gz UNOYDDFSTQQHSP-OAHLLOKOSA-N 1 0 304.503 4.100 20 30 DIEDRO Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508074 337137463 /nfs/dbraw/zinc/13/74/63/337137463.db2.gz VBCXGJHNDIZATP-CABCVRRESA-N 1 0 312.388 4.124 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@](C)(CC)c2nc(C)cs2)c1 ZINC000174498515 337141634 /nfs/dbraw/zinc/14/16/34/337141634.db2.gz ZELOHOUKNNCJAJ-GOSISDBHSA-N 1 0 316.470 4.431 20 30 DIEDRO Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538508077 337142400 /nfs/dbraw/zinc/14/24/00/337142400.db2.gz VBCXGJHNDIZATP-LSDHHAIUSA-N 1 0 312.388 4.124 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000177910818 337158944 /nfs/dbraw/zinc/15/89/44/337158944.db2.gz RIQXBQARUJAFLL-CYBMUJFWSA-N 1 0 321.534 4.050 20 30 DIEDRO CC(C)c1ccc(C2(O)CCC([NH2+]CCCCC#N)CC2)cc1 ZINC000179567621 337170280 /nfs/dbraw/zinc/17/02/80/337170280.db2.gz UOUSPJPHPZDJBL-UHFFFAOYSA-N 1 0 314.473 4.224 20 30 DIEDRO C=CCCCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000583010170 337228692 /nfs/dbraw/zinc/22/86/92/337228692.db2.gz OJSHRCPLHDQELG-AWEZNQCLSA-N 1 0 305.384 4.024 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2F)c(C(F)(F)F)c1 ZINC000584379958 337233090 /nfs/dbraw/zinc/23/30/90/337233090.db2.gz CKHNBAUIAHBYML-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO C=C(C)COCC[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000583107278 337238212 /nfs/dbraw/zinc/23/82/12/337238212.db2.gz XDSPSCONHMGZRI-ZROIWOOFSA-N 1 0 313.363 4.291 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000185802257 337250463 /nfs/dbraw/zinc/25/04/63/337250463.db2.gz WAXULRVSLVJHEH-JDFRZJQESA-N 1 0 320.383 4.337 20 30 DIEDRO C=CCCOCC[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000229860418 337267908 /nfs/dbraw/zinc/26/79/08/337267908.db2.gz INKLQXNNCYLDMQ-OAHLLOKOSA-N 1 0 312.251 4.083 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000192158022 337303538 /nfs/dbraw/zinc/30/35/38/337303538.db2.gz LBBHJKDQQAEPEI-KRWDZBQOSA-N 1 0 304.315 4.216 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)ccc1C#N ZINC000583292776 337308174 /nfs/dbraw/zinc/30/81/74/337308174.db2.gz BVDWYBMLCZMUPW-OAHLLOKOSA-N 1 0 308.425 4.023 20 30 DIEDRO Cc1c2ccccc2oc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000583745770 337328490 /nfs/dbraw/zinc/32/84/90/337328490.db2.gz ORDQFDCYYRNCFS-SFHVURJKSA-N 1 0 302.377 4.390 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1Cl ZINC000584484997 337349568 /nfs/dbraw/zinc/34/95/68/337349568.db2.gz KMSBCKHXZTUMHG-FUHWJXTLSA-N 1 0 321.848 4.048 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000584484999 337349578 /nfs/dbraw/zinc/34/95/78/337349578.db2.gz KMSBCKHXZTUMHG-WMZOPIPTSA-N 1 0 321.848 4.048 20 30 DIEDRO COc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)ccc1C#N ZINC000583901444 337384834 /nfs/dbraw/zinc/38/48/34/337384834.db2.gz CNKPUYPCWXASKP-KDOFPFPSSA-N 1 0 306.409 4.213 20 30 DIEDRO N#CCCn1cc(C[NH2+]CCC2=CCCC2)c(-c2ccccc2)n1 ZINC000120152237 337395455 /nfs/dbraw/zinc/39/54/55/337395455.db2.gz KAAQBBMGTWWJCY-UHFFFAOYSA-N 1 0 320.440 4.054 20 30 DIEDRO Cc1csc([C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C2CC2)n1 ZINC000127409493 337420693 /nfs/dbraw/zinc/42/06/93/337420693.db2.gz HXKAEUDWJYBHHL-TVRKMHQQSA-N 1 0 323.465 4.116 20 30 DIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000421347520 337527865 /nfs/dbraw/zinc/52/78/65/337527865.db2.gz COBZZSCMJGSRDY-HUUCEWRRSA-N 1 0 311.454 4.139 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421351699 337528004 /nfs/dbraw/zinc/52/80/04/337528004.db2.gz OMQHRZCQSQULJI-GFCCVEGCSA-N 1 0 302.468 4.062 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)s1 ZINC000421351559 337528014 /nfs/dbraw/zinc/52/80/14/337528014.db2.gz MQQPQJAJIUHWBV-UHFFFAOYSA-N 1 0 312.438 4.141 20 30 DIEDRO CC(C)Cc1ccc([C@@H]([NH2+]CCOCCC#N)C(C)C)cc1 ZINC000571780224 337576640 /nfs/dbraw/zinc/57/66/40/337576640.db2.gz JTHOEPTUGKSPEZ-IBGZPJMESA-N 1 0 302.462 4.102 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1ccccc1 ZINC000271549271 337644934 /nfs/dbraw/zinc/64/49/34/337644934.db2.gz RYACUJBMDSFINS-HNAYVOBHSA-N 1 0 309.409 4.119 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CCC(C#N)CC1 ZINC000421853674 337650113 /nfs/dbraw/zinc/65/01/13/337650113.db2.gz KDDIIPDDTKRWIL-HSBZDZAISA-N 1 0 308.828 4.330 20 30 DIEDRO C=C[C@H](CC(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275925951 337663271 /nfs/dbraw/zinc/66/32/71/337663271.db2.gz XMUJFSKTDLRXIP-QGZVFWFLSA-N 1 0 322.452 4.089 20 30 DIEDRO C[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423028893 337696149 /nfs/dbraw/zinc/69/61/49/337696149.db2.gz HFUUFXLHRYXOHW-WHSLLNHNSA-N 1 0 319.452 4.016 20 30 DIEDRO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423028883 337696216 /nfs/dbraw/zinc/69/62/16/337696216.db2.gz HFUUFXLHRYXOHW-CKJXQJPGSA-N 1 0 319.452 4.016 20 30 DIEDRO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423028894 337696269 /nfs/dbraw/zinc/69/62/69/337696269.db2.gz HFUUFXLHRYXOHW-XFQAVAEZSA-N 1 0 319.452 4.016 20 30 DIEDRO C=C(C)[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)c(F)c1 ZINC000423053702 337697325 /nfs/dbraw/zinc/69/73/25/337697325.db2.gz SIPACXITQWVZMG-FHWLQOOXSA-N 1 0 314.379 4.316 20 30 DIEDRO C=C(C)[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)c(F)c1 ZINC000423053712 337697382 /nfs/dbraw/zinc/69/73/82/337697382.db2.gz SIPACXITQWVZMG-QRVBRYPASA-N 1 0 314.379 4.316 20 30 DIEDRO C[C@H](C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000527239931 337740194 /nfs/dbraw/zinc/74/01/94/337740194.db2.gz CAPMEMXCTKQEPH-QGZVFWFLSA-N 1 0 320.436 4.205 20 30 DIEDRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000536871047 337752213 /nfs/dbraw/zinc/75/22/13/337752213.db2.gz PTWLCNLJBXGKBL-WPAPPDIDSA-N 1 0 300.446 4.272 20 30 DIEDRO C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc(C#N)cc1 ZINC000527941824 337773480 /nfs/dbraw/zinc/77/34/80/337773480.db2.gz IIISTMMZAUMKJF-NDYZWRROSA-N 1 0 308.812 4.201 20 30 DIEDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000527964329 337780568 /nfs/dbraw/zinc/78/05/68/337780568.db2.gz JWRZWHNKLZXQOR-BFUOFWGJSA-N 1 0 309.388 4.284 20 30 DIEDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000527964339 337780599 /nfs/dbraw/zinc/78/05/99/337780599.db2.gz JWRZWHNKLZXQOR-ORAYPTAESA-N 1 0 309.388 4.284 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000424198473 337807832 /nfs/dbraw/zinc/80/78/32/337807832.db2.gz PJIYJSKJTHOIQY-MAUKXSAKSA-N 1 0 324.399 4.187 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OCC)c(F)c2)cc1 ZINC000106244810 337814775 /nfs/dbraw/zinc/81/47/75/337814775.db2.gz DBIRNBBIMIQIAU-UHFFFAOYSA-N 1 0 315.388 4.079 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1Br ZINC000424299247 337817331 /nfs/dbraw/zinc/81/73/31/337817331.db2.gz VFJOZQNSEXRNTP-RCBQFDQVSA-N 1 0 324.262 4.081 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccccc1Br ZINC000424299245 337817353 /nfs/dbraw/zinc/81/73/53/337817353.db2.gz VFJOZQNSEXRNTP-MAZHCROVSA-N 1 0 324.262 4.081 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1csc(-c2ccccc2F)n1 ZINC000424321179 337820288 /nfs/dbraw/zinc/82/02/88/337820288.db2.gz GXPQAWPLVMUMAU-RWMBFGLXSA-N 1 0 315.417 4.292 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(SCC(F)F)cc1 ZINC000424321644 337820441 /nfs/dbraw/zinc/82/04/41/337820441.db2.gz HKNRVYOAPVMDGK-MBNYWOFBSA-N 1 0 310.413 4.387 20 30 DIEDRO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424326533 337821351 /nfs/dbraw/zinc/82/13/51/337821351.db2.gz MCRXXQOMZSAPFK-BJJXKVORSA-N 1 0 304.821 4.144 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000424327601 337821403 /nfs/dbraw/zinc/82/14/03/337821403.db2.gz MZYCSOQYSUEEKR-PEYYIBSZSA-N 1 0 319.246 4.108 20 30 DIEDRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CCCO2 ZINC000424332346 337822433 /nfs/dbraw/zinc/82/24/33/337822433.db2.gz SUSJCGUXCHBWQN-WOSRLPQWSA-N 1 0 304.821 4.144 20 30 DIEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424335572 337822688 /nfs/dbraw/zinc/82/26/88/337822688.db2.gz XAKRQYPXKHVNGW-FBBABVLZSA-N 1 0 320.436 4.261 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000533309336 337840566 /nfs/dbraw/zinc/84/05/66/337840566.db2.gz KIOGFIBUGHKWBB-UHFFFAOYSA-N 1 0 314.791 4.172 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2cccc3ccccc32)c(F)c1 ZINC000533309143 337840594 /nfs/dbraw/zinc/84/05/94/337840594.db2.gz ZZWJGRARPZOUNT-UHFFFAOYSA-N 1 0 304.368 4.183 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000046836381 337840805 /nfs/dbraw/zinc/84/08/05/337840805.db2.gz JROXLWPPPWQBGF-LBPRGKRZSA-N 1 0 320.314 4.308 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000118392105 337850525 /nfs/dbraw/zinc/85/05/25/337850525.db2.gz FSJJCQPLEWIYMB-OAHLLOKOSA-N 1 0 306.409 4.204 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1)C1CC1 ZINC000120251349 337870187 /nfs/dbraw/zinc/87/01/87/337870187.db2.gz IADJFXZFZYQMAU-HNAYVOBHSA-N 1 0 314.473 4.049 20 30 DIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)cc1 ZINC000537063332 337885486 /nfs/dbraw/zinc/88/54/86/337885486.db2.gz WJHWZVNQFOIFJU-MRXNPFEDSA-N 1 0 324.424 4.075 20 30 DIEDRO Cc1cc([C@@H]([NH2+]Cc2cc(C#N)ccc2F)C2CC2)ccc1F ZINC000537219210 337924964 /nfs/dbraw/zinc/92/49/64/337924964.db2.gz IPPFEACAFBUYTP-IBGZPJMESA-N 1 0 312.363 4.386 20 30 DIEDRO CCN(CCC[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000537295686 337929066 /nfs/dbraw/zinc/92/90/66/337929066.db2.gz KXYGFIAGDRBYGD-QGZVFWFLSA-N 1 0 307.441 4.125 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)s1 ZINC000537267539 337929472 /nfs/dbraw/zinc/92/94/72/337929472.db2.gz NQYWQEZIRYFFSB-UHFFFAOYSA-N 1 0 324.371 4.361 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccccc1Cl)c1ccc(C#N)c(F)c1 ZINC000537406059 337933507 /nfs/dbraw/zinc/93/35/07/337933507.db2.gz CPQVZBYQESTEOL-GFCCVEGCSA-N 1 0 302.780 4.244 20 30 DIEDRO C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc(C#N)c(F)c1 ZINC000537407010 337933588 /nfs/dbraw/zinc/93/35/88/337933588.db2.gz NCGBACXTEDWPIU-ZDUSSCGKSA-N 1 0 312.363 4.219 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000061558139 337945165 /nfs/dbraw/zinc/94/51/65/337945165.db2.gz AXUVZNQTXRWQDA-CQSZACIVSA-N 1 0 315.388 4.250 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000514784358 337970841 /nfs/dbraw/zinc/97/08/41/337970841.db2.gz IAZVCENYFVATPV-TYNCELHUSA-N 1 0 322.239 4.130 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000514818338 337971166 /nfs/dbraw/zinc/97/11/66/337971166.db2.gz PXRPDVMMVAXKTG-IFIJOSMWSA-N 1 0 309.450 4.179 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccco1 ZINC000515006848 337976502 /nfs/dbraw/zinc/97/65/02/337976502.db2.gz XRNNLKBCGWLAGK-KRWDZBQOSA-N 1 0 312.413 4.261 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCn1ccc3ccccc31)CC2 ZINC000516217343 338007698 /nfs/dbraw/zinc/00/76/98/338007698.db2.gz JNFKBZXCUMSIRX-FQEVSTJZSA-N 1 0 315.420 4.180 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccco1 ZINC000426311436 338026193 /nfs/dbraw/zinc/02/61/93/338026193.db2.gz NSOXZFXXNLWTBF-RDJZCZTQSA-N 1 0 314.404 4.295 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000426365358 338029114 /nfs/dbraw/zinc/02/91/14/338029114.db2.gz LRFQZHAXRAEMBV-ZDUSSCGKSA-N 1 0 307.359 4.320 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000428390825 338034081 /nfs/dbraw/zinc/03/40/81/338034081.db2.gz VDAATTFTRHINBE-UHFFFAOYSA-N 1 0 315.388 4.031 20 30 DIEDRO Cc1nc(C(C)C)oc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000428209438 338042572 /nfs/dbraw/zinc/04/25/72/338042572.db2.gz SPVJIGWKJGICIR-UHFFFAOYSA-N 1 0 311.429 4.389 20 30 DIEDRO Cc1nc(C(C)C)oc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000428292048 338045803 /nfs/dbraw/zinc/04/58/03/338045803.db2.gz WUEDHFMAPONUFV-UHFFFAOYSA-N 1 0 321.424 4.267 20 30 DIEDRO C[C@H](NCc1cccc(F)c1C#N)c1cccc(N2CCCC2)c1 ZINC000428354207 338048519 /nfs/dbraw/zinc/04/85/19/338048519.db2.gz YCRLLFORXSSPKF-HNNXBMFYSA-N 1 0 323.415 4.148 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1cccc(F)c1C#N ZINC000428435210 338051300 /nfs/dbraw/zinc/05/13/00/338051300.db2.gz NKRIKIJSBURDMR-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO CC(C)O[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000428458766 338052888 /nfs/dbraw/zinc/05/28/88/338052888.db2.gz JFDJCPBUSAYUDU-FQEVSTJZSA-N 1 0 308.425 4.156 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1ccc(C#N)cc1 ZINC000428847572 338061993 /nfs/dbraw/zinc/06/19/93/338061993.db2.gz GQNKSABNJZYNDN-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO C=CCOCCC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429175564 338072589 /nfs/dbraw/zinc/07/25/89/338072589.db2.gz JLOCWTPFWONAMV-INIZCTEOSA-N 1 0 311.878 4.099 20 30 DIEDRO C=C(C)C[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429777879 338089709 /nfs/dbraw/zinc/08/97/09/338089709.db2.gz XJOLIIHMZKFGFM-DLBZAZTESA-N 1 0 310.844 4.169 20 30 DIEDRO N#CCC1(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000430041106 338094280 /nfs/dbraw/zinc/09/42/80/338094280.db2.gz LHSOOKYDPHYLGH-UHFFFAOYSA-N 1 0 324.399 4.188 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1Cl ZINC000430042108 338094342 /nfs/dbraw/zinc/09/43/42/338094342.db2.gz XTKVRMQTZBOVKA-ZDUSSCGKSA-N 1 0 315.791 4.430 20 30 DIEDRO CC[C@@H]1CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000430205351 338101255 /nfs/dbraw/zinc/10/12/55/338101255.db2.gz MVEYLYLTRMXVSW-LJQANCHMSA-N 1 0 306.409 4.122 20 30 DIEDRO C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430726941 338112497 /nfs/dbraw/zinc/11/24/97/338112497.db2.gz WXYHMDUDMLREGS-CWIOURORSA-N 1 0 312.457 4.246 20 30 DIEDRO N#CCC1(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000430764002 338114110 /nfs/dbraw/zinc/11/41/10/338114110.db2.gz FDZSITRSZHZYDI-UHFFFAOYSA-N 1 0 310.363 4.312 20 30 DIEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000430874415 338117609 /nfs/dbraw/zinc/11/76/09/338117609.db2.gz CTRQNQFUXLBKLG-DZGCQCFKSA-N 1 0 308.347 4.235 20 30 DIEDRO C=CCC(C)(C)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000431389416 338129717 /nfs/dbraw/zinc/12/97/17/338129717.db2.gz OWUXWKPKFGBBJC-UHFFFAOYSA-N 1 0 323.440 4.427 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cccc(C#N)c1 ZINC000432503038 338157802 /nfs/dbraw/zinc/15/78/02/338157802.db2.gz QTUURELFMWXSSV-MJGOQNOKSA-N 1 0 319.452 4.125 20 30 DIEDRO COc1c(C)cnc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1C ZINC000433008923 338176050 /nfs/dbraw/zinc/17/60/50/338176050.db2.gz FRJMHIWZZDCIHM-GOSISDBHSA-N 1 0 323.440 4.232 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000433018340 338176401 /nfs/dbraw/zinc/17/64/01/338176401.db2.gz DMVYKNOEXCKPRA-LJQANCHMSA-N 1 0 307.372 4.222 20 30 DIEDRO CO[C@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433019995 338176536 /nfs/dbraw/zinc/17/65/36/338176536.db2.gz MELLZHRQPUIRAC-VQTJNVASSA-N 1 0 308.425 4.399 20 30 DIEDRO N#CCCC[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000433035202 338177498 /nfs/dbraw/zinc/17/74/98/338177498.db2.gz WNZHQMYTDAESPJ-HXUWFJFHSA-N 1 0 320.436 4.189 20 30 DIEDRO C[N@H+](CCSCc1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000433036372 338177643 /nfs/dbraw/zinc/17/76/43/338177643.db2.gz UOALCDWBPDUEIV-UHFFFAOYSA-N 1 0 314.429 4.063 20 30 DIEDRO C[C@H]1CC[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000433052428 338178815 /nfs/dbraw/zinc/17/88/15/338178815.db2.gz MGTQRYIIFRIJGD-LPHOPBHVSA-N 1 0 322.456 4.084 20 30 DIEDRO C=CCc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc(OC)c1O ZINC000434985313 338228682 /nfs/dbraw/zinc/22/86/82/338228682.db2.gz HXUPNQLPHZMMFU-GOSISDBHSA-N 1 0 309.409 4.076 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)s1 ZINC000435039656 338230459 /nfs/dbraw/zinc/23/04/59/338230459.db2.gz IBGZWMRWIDWDPB-UHFFFAOYSA-N 1 0 300.402 4.081 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000435666196 338244631 /nfs/dbraw/zinc/24/46/31/338244631.db2.gz UXQCJYJDLPJYOO-INWMFGNUSA-N 1 0 324.262 4.081 20 30 DIEDRO C=CCC[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000435725324 338246240 /nfs/dbraw/zinc/24/62/40/338246240.db2.gz XDBGCGMPPVFZGI-FQEVSTJZSA-N 1 0 322.452 4.186 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000435741264 338247320 /nfs/dbraw/zinc/24/73/20/338247320.db2.gz IKKVNQNUTMHSCU-WJANQJKRSA-N 1 0 305.849 4.314 20 30 DIEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000435741702 338247365 /nfs/dbraw/zinc/24/73/65/338247365.db2.gz QPAFYRHWVFUUST-RTBURBONSA-N 1 0 300.446 4.022 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000435745160 338247655 /nfs/dbraw/zinc/24/76/55/338247655.db2.gz KENPCPSNFQYMJD-BEFAXECRSA-N 1 0 315.388 4.157 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436244251 338263262 /nfs/dbraw/zinc/26/32/62/338263262.db2.gz ZLAVNPIJGWJLOS-UHFFFAOYSA-N 1 0 310.372 4.162 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000436291188 338266560 /nfs/dbraw/zinc/26/65/60/338266560.db2.gz KTYVOMBAFOEGKW-VMGRFDJRSA-N 1 0 323.889 4.448 20 30 DIEDRO N#CCC[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000436292870 338266728 /nfs/dbraw/zinc/26/67/28/338266728.db2.gz MBMAVHZLIUKBAT-SFHVURJKSA-N 1 0 307.372 4.442 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000436302107 338267643 /nfs/dbraw/zinc/26/76/43/338267643.db2.gz QZRDHTPEZOAJQL-SUMDDJOVSA-N 1 0 303.446 4.106 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000436303465 338267758 /nfs/dbraw/zinc/26/77/58/338267758.db2.gz CGHMABNAUSQWPU-IEZWGBDMSA-N 1 0 303.446 4.026 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000436307437 338268139 /nfs/dbraw/zinc/26/81/39/338268139.db2.gz NOIXKHKWYPVBTI-AABGKKOBSA-N 1 0 301.474 4.215 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000436314190 338268619 /nfs/dbraw/zinc/26/86/19/338268619.db2.gz YBUSUUDQTMIQGD-XYPHTWIQSA-N 1 0 321.848 4.125 20 30 DIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1 ZINC000437594094 338315524 /nfs/dbraw/zinc/31/55/24/338315524.db2.gz PFJFTUBTGDGJQQ-UHFFFAOYSA-N 1 0 309.438 4.326 20 30 DIEDRO C[C@H]([NH2+]CCCCCOc1ccccc1)c1ccc(C#N)cc1 ZINC000438070234 338329673 /nfs/dbraw/zinc/32/96/73/338329673.db2.gz DGYDHBUQEXGQRT-KRWDZBQOSA-N 1 0 308.425 4.458 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(CSC)c2)cc1 ZINC000438368502 338341745 /nfs/dbraw/zinc/34/17/45/338341745.db2.gz BTBXMJGWDYCETM-UHFFFAOYSA-N 1 0 313.466 4.404 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000438992187 338357880 /nfs/dbraw/zinc/35/78/80/338357880.db2.gz QJQISIWMDHDQBK-UIFIKXQLSA-N 1 0 312.501 4.374 20 30 DIEDRO C=CCC[C@H]([NH2+]CC(C)(C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000438992455 338357946 /nfs/dbraw/zinc/35/79/46/338357946.db2.gz RKZWTCQSMCZBTA-KRWDZBQOSA-N 1 0 317.473 4.316 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000439079647 338360410 /nfs/dbraw/zinc/36/04/10/338360410.db2.gz PAXOCJXHLUKDMS-OAQYLSRUSA-N 1 0 322.452 4.495 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000439079646 338360412 /nfs/dbraw/zinc/36/04/12/338360412.db2.gz PAXOCJXHLUKDMS-NRFANRHFSA-N 1 0 322.452 4.495 20 30 DIEDRO C=CCC[C@H]([NH2+]C1CCN(Cc2ccccc2C)CC1)C1CC1 ZINC000439082703 338360612 /nfs/dbraw/zinc/36/06/12/338360612.db2.gz FIPFLNWKQIOJNH-NRFANRHFSA-N 1 0 312.501 4.294 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000439086933 338360656 /nfs/dbraw/zinc/36/06/56/338360656.db2.gz PGUHVRBMHZHBTR-HXUWFJFHSA-N 1 0 309.457 4.324 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)NCc1ccc(C#N)cc1Cl ZINC000439436574 338369373 /nfs/dbraw/zinc/36/93/73/338369373.db2.gz IIFMSTRKCHKICO-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO CSc1ccccc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000440627488 338392982 /nfs/dbraw/zinc/39/29/82/338392982.db2.gz INZWMHOIKVXOKN-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)ccc1C#N ZINC000440804076 338397844 /nfs/dbraw/zinc/39/78/44/338397844.db2.gz DDJTTXLSEBVXOF-QGZVFWFLSA-N 1 0 324.424 4.272 20 30 DIEDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)ccc1C#N ZINC000440805798 338397870 /nfs/dbraw/zinc/39/78/70/338397870.db2.gz FLMQVBFGLOMKKQ-UHFFFAOYSA-N 1 0 324.399 4.265 20 30 DIEDRO CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000442635398 338426333 /nfs/dbraw/zinc/42/63/33/338426333.db2.gz PMVKYSGKQDRMHX-HDMKZQKVSA-N 1 0 319.880 4.005 20 30 DIEDRO Cc1nc(-c2ccc(CC[NH2+][C@H]3CC[C@@H](C#N)C3)s2)cs1 ZINC000442633320 338426359 /nfs/dbraw/zinc/42/63/59/338426359.db2.gz CLJXMNBNCKWFAH-OLZOCXBDSA-N 1 0 317.483 4.004 20 30 DIEDRO Cc1cccc(Oc2cc(C[NH2+][C@H]3CC[C@H](C#N)C3)ccn2)c1C ZINC000442779335 338430776 /nfs/dbraw/zinc/43/07/76/338430776.db2.gz MAFVGHPESQZGMX-WMZOPIPTSA-N 1 0 321.424 4.273 20 30 DIEDRO CCCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442799802 338432312 /nfs/dbraw/zinc/43/23/12/338432312.db2.gz ZYOVXCKZKRKUMN-SJLPKXTDSA-N 1 0 300.446 4.346 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1Br ZINC000442830102 338433781 /nfs/dbraw/zinc/43/37/81/338433781.db2.gz RGHXZKLFZAZQOX-OLZOCXBDSA-N 1 0 321.262 4.009 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3cccc(F)c3F)CCCC2)C1 ZINC000442866248 338436118 /nfs/dbraw/zinc/43/61/18/338436118.db2.gz WAAXISZLOAJRPR-ZIAGYGMSSA-N 1 0 304.384 4.058 20 30 DIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000442867774 338436345 /nfs/dbraw/zinc/43/63/45/338436345.db2.gz MMYZKFNIQHGJJJ-KPPDAEKUSA-N 1 0 317.380 4.142 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000442872684 338436806 /nfs/dbraw/zinc/43/68/06/338436806.db2.gz IQIIRWUJIUHAKM-TVPLGVNVSA-N 1 0 302.437 4.312 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCOc3c(-c4ccccc4)cccc32)C1 ZINC000442871950 338436887 /nfs/dbraw/zinc/43/68/87/338436887.db2.gz MLFCUDRFLVCXAY-SYNHAJSKSA-N 1 0 318.420 4.459 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)c1ccc(C#N)cc1 ZINC000447525721 338553933 /nfs/dbraw/zinc/55/39/33/338553933.db2.gz BDYSLBIHMMJGFW-CRAIPNDOSA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447536079 338554997 /nfs/dbraw/zinc/55/49/97/338554997.db2.gz KVRDUUGQLMPFKH-YWZLYKJASA-N 1 0 324.424 4.075 20 30 DIEDRO CC[C@H]([NH2+]CCc1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000447539608 338555339 /nfs/dbraw/zinc/55/53/39/338555339.db2.gz HFJRKBNXJAAQNQ-SFHVURJKSA-N 1 0 300.352 4.120 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)COc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447541969 338555519 /nfs/dbraw/zinc/55/55/19/338555519.db2.gz HSNIZOLHKOISQB-IFXJQAMLSA-N 1 0 312.388 4.206 20 30 DIEDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447545091 338555878 /nfs/dbraw/zinc/55/58/78/338555878.db2.gz XAMWBYLFRCDOGJ-OXQOHEQNSA-N 1 0 307.441 4.124 20 30 DIEDRO CC[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447564428 338557122 /nfs/dbraw/zinc/55/71/22/338557122.db2.gz WXLNWRVBFGWNRG-IFXJQAMLSA-N 1 0 312.388 4.206 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000449056453 338588998 /nfs/dbraw/zinc/58/89/98/338588998.db2.gz PNZMLORXZPVZCD-MAUKXSAKSA-N 1 0 315.436 4.373 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(OC(F)F)c1 ZINC000449083998 338591798 /nfs/dbraw/zinc/59/17/98/338591798.db2.gz WBTXPWOSUUFMMK-MKQDKFQKSA-N 1 0 308.372 4.411 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000449103465 338593657 /nfs/dbraw/zinc/59/36/57/338593657.db2.gz BAOOMMZVSADVTM-UHFFFAOYSA-N 1 0 307.235 4.011 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCCOc2cccc3cccnc32)CC1 ZINC000449126155 338595547 /nfs/dbraw/zinc/59/55/47/338595547.db2.gz URXDAHDWRSTORM-UHFFFAOYSA-N 1 0 323.440 4.066 20 30 DIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449183640 338600132 /nfs/dbraw/zinc/60/01/32/338600132.db2.gz DSNNIWCTTOXWBO-MYWSLZCHSA-N 1 0 322.456 4.304 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000449207903 338602440 /nfs/dbraw/zinc/60/24/40/338602440.db2.gz ROIDCYSURDTGBS-SAGYGOJTSA-N 1 0 318.848 4.232 20 30 DIEDRO COc1cccc(Sc2ccccc2C[NH2+]CCCC#N)c1 ZINC000449236121 338605224 /nfs/dbraw/zinc/60/52/24/338605224.db2.gz XCJXMPSXZBTHSV-UHFFFAOYSA-N 1 0 312.438 4.240 20 30 DIEDRO C[C@H](CC(C)(C)C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000449268332 338608486 /nfs/dbraw/zinc/60/84/86/338608486.db2.gz FXDGTCPOGKBXLB-ODIFPOPNSA-N 1 0 315.461 4.058 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCN2CCC3(CCCCC3)CC2)CC1 ZINC000449306749 338611367 /nfs/dbraw/zinc/61/13/67/338611367.db2.gz XNOMMGJBDMHVQL-UHFFFAOYSA-N 1 0 317.521 4.095 20 30 DIEDRO CC(C)CCOc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000449446757 338624911 /nfs/dbraw/zinc/62/49/11/338624911.db2.gz STKJXHLTHSFNMU-WMZOPIPTSA-N 1 0 300.446 4.283 20 30 DIEDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450715596 338700767 /nfs/dbraw/zinc/70/07/67/338700767.db2.gz JGKAYYJWACDAGT-CVEARBPZSA-N 1 0 308.425 4.037 20 30 DIEDRO CC(C)([NH2+]CC1(C#N)CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000450832351 338707578 /nfs/dbraw/zinc/70/75/78/338707578.db2.gz HUZZUSOWURSONA-UHFFFAOYSA-N 1 0 312.335 4.104 20 30 DIEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000451060843 338720010 /nfs/dbraw/zinc/72/00/10/338720010.db2.gz GYXWGAHNOCWACW-JRGCBEDISA-N 1 0 322.452 4.176 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000451871065 338746772 /nfs/dbraw/zinc/74/67/72/338746772.db2.gz QTRGLGGWECADFY-HNAYVOBHSA-N 1 0 305.425 4.180 20 30 DIEDRO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C(C)C)C1)c1ccc(C#N)cc1 ZINC000453315926 338823460 /nfs/dbraw/zinc/82/34/60/338823460.db2.gz HPUZNPWKCDDXEP-WDSOQIARSA-N 1 0 300.446 4.050 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000453355457 338830521 /nfs/dbraw/zinc/83/05/21/338830521.db2.gz LNRJXUUSGCOBLQ-GLQYFDAESA-N 1 0 313.413 4.038 20 30 DIEDRO C=CCC1(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CCCC1 ZINC000453371604 338833495 /nfs/dbraw/zinc/83/34/95/338833495.db2.gz NVVMBGQUVNXECF-IAGOWNOFSA-N 1 0 301.478 4.172 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)C1 ZINC000453379058 338834776 /nfs/dbraw/zinc/83/47/76/338834776.db2.gz QIIHLJWFZCTFIX-HNAYVOBHSA-N 1 0 318.411 4.302 20 30 DIEDRO N#Cc1ccccc1OC1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000459450304 339029964 /nfs/dbraw/zinc/02/99/64/339029964.db2.gz VMPKAGBFONVHLM-UHFFFAOYSA-N 1 0 310.441 4.171 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459530214 339034231 /nfs/dbraw/zinc/03/42/31/339034231.db2.gz MUFMTYRHCXIWCX-SFHVURJKSA-N 1 0 314.473 4.200 20 30 DIEDRO COc1c(Cl)cc(Cl)cc1C[NH2+]CC(C)(C)CC#N ZINC000459698685 339043459 /nfs/dbraw/zinc/04/34/59/339043459.db2.gz QZHTYDJMUDKKIC-UHFFFAOYSA-N 1 0 301.217 4.031 20 30 DIEDRO COc1cc(Cl)c(C[NH2+]CC(C)(C)CC#N)cc1Cl ZINC000459730006 339044829 /nfs/dbraw/zinc/04/48/29/339044829.db2.gz LFLFCNZQONAABP-UHFFFAOYSA-N 1 0 301.217 4.031 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCC(C)(C)O)C(C)(C)C)cc1 ZINC000462318824 339075585 /nfs/dbraw/zinc/07/55/85/339075585.db2.gz YJZZITLTPZEWNL-UHFFFAOYSA-N 1 0 305.462 4.013 20 30 DIEDRO CC[C@H]1CCC[C@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000462365811 339076898 /nfs/dbraw/zinc/07/68/98/339076898.db2.gz NFRPEZGIEMMFGX-YJBOKZPZSA-N 1 0 302.487 4.350 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](C)Oc1ccccc1C ZINC000462735259 339085727 /nfs/dbraw/zinc/08/57/27/339085727.db2.gz OYBCZHPIIALQOT-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1OC ZINC000462737054 339085829 /nfs/dbraw/zinc/08/58/29/339085829.db2.gz OTBNRSDRLJILOH-FGTMMUONSA-N 1 0 315.457 4.318 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCCC3)c1 ZINC000462745669 339086524 /nfs/dbraw/zinc/08/65/24/339086524.db2.gz LLMYPWTYNMSMIS-RTBURBONSA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)C23CCCC3)cc1 ZINC000462756144 339087190 /nfs/dbraw/zinc/08/71/90/339087190.db2.gz MCIBPELLIQENDW-MOPGFXCFSA-N 1 0 315.457 4.079 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)c2ccc(F)cc2F)c1 ZINC000462756491 339087223 /nfs/dbraw/zinc/08/72/23/339087223.db2.gz NSNAJJJKYWARQC-AWEZNQCLSA-N 1 0 317.379 4.423 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2F)cc1 ZINC000462759876 339087333 /nfs/dbraw/zinc/08/73/33/339087333.db2.gz ZASMUDJSFFMVJK-AWEZNQCLSA-N 1 0 317.379 4.423 20 30 DIEDRO CCc1oc2ccccc2c1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000462768317 339087566 /nfs/dbraw/zinc/08/75/66/339087566.db2.gz UXFMWWHZQCGPGF-UHFFFAOYSA-N 1 0 320.392 4.035 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1c(Cl)cccc1C#N ZINC000462789453 339088771 /nfs/dbraw/zinc/08/87/71/339088771.db2.gz KHHRPGWRNXGEAG-AWEZNQCLSA-N 1 0 305.853 4.278 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462820007 339091807 /nfs/dbraw/zinc/09/18/07/339091807.db2.gz UPMFRXDVINRFNR-ZDUSSCGKSA-N 1 0 320.433 4.193 20 30 DIEDRO CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000463237276 339110995 /nfs/dbraw/zinc/11/09/95/339110995.db2.gz VFXMBKAZNWWHOG-DOTOQJQBSA-N 1 0 300.446 4.035 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000463272035 339112770 /nfs/dbraw/zinc/11/27/70/339112770.db2.gz NNCWMRWTFLDGHL-NSHGMRRFSA-N 1 0 300.490 4.374 20 30 DIEDRO C=CCCCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000463277421 339113032 /nfs/dbraw/zinc/11/30/32/339113032.db2.gz SIGRUWQQSPZNHA-UHFFFAOYSA-N 1 0 306.881 4.250 20 30 DIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)ccn1 ZINC000463280613 339113130 /nfs/dbraw/zinc/11/31/30/339113130.db2.gz DVKINKGZNBBYPA-BQFCYCMXSA-N 1 0 315.461 4.067 20 30 DIEDRO CC(C)(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463284715 339113402 /nfs/dbraw/zinc/11/34/02/339113402.db2.gz QFPCEHKMOOJYHP-JKSUJKDBSA-N 1 0 300.446 4.035 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000463295298 339113810 /nfs/dbraw/zinc/11/38/10/339113810.db2.gz ZODHUJHRKVNQOH-ICSRJNTNSA-N 1 0 320.436 4.438 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000463303176 339114209 /nfs/dbraw/zinc/11/42/09/339114209.db2.gz QBILLGUYKIBBMU-PBHICJAKSA-N 1 0 302.849 4.434 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000463303177 339114210 /nfs/dbraw/zinc/11/42/10/339114210.db2.gz QBILLGUYKIBBMU-RHSMWYFYSA-N 1 0 302.849 4.434 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)CC(F)(F)F)ccc1OC ZINC000463714437 339124391 /nfs/dbraw/zinc/12/43/91/339124391.db2.gz BIKHJWAZSVTDFB-GFCCVEGCSA-N 1 0 317.351 4.081 20 30 DIEDRO C=C(C)C[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000464442916 339142215 /nfs/dbraw/zinc/14/22/15/339142215.db2.gz UNSAPEBTPOHCFY-QGZVFWFLSA-N 1 0 314.473 4.256 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1cc(F)ccc1C#N ZINC000464591499 339146616 /nfs/dbraw/zinc/14/66/16/339146616.db2.gz YDOFDXBLPGLXSZ-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO CCC[N@H+](CCc1cccs1)Cc1cc(C#N)ccc1F ZINC000464591401 339146626 /nfs/dbraw/zinc/14/66/26/339146626.db2.gz XKFUWKLPQVXLIZ-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000464743601 339150742 /nfs/dbraw/zinc/15/07/42/339150742.db2.gz ZJPXLBULRZZGPX-MGPUTAFESA-N 1 0 324.399 4.159 20 30 DIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000464786066 339153476 /nfs/dbraw/zinc/15/34/76/339153476.db2.gz KBJPYYMZJJEVQD-FQEVSTJZSA-N 1 0 310.416 4.396 20 30 DIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000466383613 339201744 /nfs/dbraw/zinc/20/17/44/339201744.db2.gz NHACFOHRKMGOKI-AWEZNQCLSA-N 1 0 300.358 4.299 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2cc(C(F)(F)F)ccc2F)c1 ZINC000466408980 339203125 /nfs/dbraw/zinc/20/31/25/339203125.db2.gz IUMGAIPZADUOKM-UHFFFAOYSA-N 1 0 322.305 4.048 20 30 DIEDRO N#Cc1cccc(CC[NH2+]Cc2csc(Cl)c2Cl)c1 ZINC000466422680 339204073 /nfs/dbraw/zinc/20/40/73/339204073.db2.gz MZIAEPZGEXWQPR-UHFFFAOYSA-N 1 0 311.237 4.259 20 30 DIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000466424323 339204196 /nfs/dbraw/zinc/20/41/96/339204196.db2.gz HCXDKZHHLSAAEE-PZJWPPBQSA-N 1 0 304.437 4.102 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000466473711 339206632 /nfs/dbraw/zinc/20/66/32/339206632.db2.gz MJUQOKZJTOUMMA-UHFFFAOYSA-N 1 0 314.791 4.387 20 30 DIEDRO Cc1ccccc1C1CC([N@H+](CCCSCC#N)C2CC2)C1 ZINC000466729348 339214516 /nfs/dbraw/zinc/21/45/16/339214516.db2.gz ZUPNJIQMXFWDAM-UHFFFAOYSA-N 1 0 314.498 4.352 20 30 DIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CCCSCC#N ZINC000466734475 339214812 /nfs/dbraw/zinc/21/48/12/339214812.db2.gz DJLGGHZNBMMEIS-SFHVURJKSA-N 1 0 304.503 4.285 20 30 DIEDRO CC#CCCCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000466982819 339223366 /nfs/dbraw/zinc/22/33/66/339223366.db2.gz AEVCUVWLLSGXDT-UHFFFAOYSA-N 1 0 323.440 4.069 20 30 DIEDRO C=CCC[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000467285837 339229812 /nfs/dbraw/zinc/22/98/12/339229812.db2.gz LWUPJWJQXUAYJA-UHFFFAOYSA-N 1 0 308.425 4.190 20 30 DIEDRO C=CCC[N@@H+](C)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000467302757 339230598 /nfs/dbraw/zinc/23/05/98/339230598.db2.gz LYPIQFHCCWKORZ-UHFFFAOYSA-N 1 0 321.218 4.112 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000467411046 339237067 /nfs/dbraw/zinc/23/70/67/339237067.db2.gz LYGOGGZDRVYJBY-WFASDCNBSA-N 1 0 318.852 4.234 20 30 DIEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000467418576 339237426 /nfs/dbraw/zinc/23/74/26/339237426.db2.gz NMHXYAFXYPSEDR-KGLIPLIRSA-N 1 0 308.853 4.310 20 30 DIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000467418577 339237542 /nfs/dbraw/zinc/23/75/42/339237542.db2.gz NMHXYAFXYPSEDR-UONOGXRCSA-N 1 0 308.853 4.310 20 30 DIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467434230 339238316 /nfs/dbraw/zinc/23/83/16/339238316.db2.gz CGYHTRCYKLHMBB-CYBMUJFWSA-N 1 0 313.470 4.340 20 30 DIEDRO N#Cc1cc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)ccc1F ZINC000468272710 339258341 /nfs/dbraw/zinc/25/83/41/339258341.db2.gz OHRZVDQGKKHOSI-GOSISDBHSA-N 1 0 312.363 4.044 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1F ZINC000468283033 339258807 /nfs/dbraw/zinc/25/88/07/339258807.db2.gz WHMRMPUQAWXTNM-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO C[C@H](CCc1ccc(Cl)s1)[NH2+]Cc1cccc(C#N)c1 ZINC000468363885 339260780 /nfs/dbraw/zinc/26/07/80/339260780.db2.gz XGNKGUAOXRGFNN-GFCCVEGCSA-N 1 0 304.846 4.384 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccccc1F ZINC000469136559 339281223 /nfs/dbraw/zinc/28/12/23/339281223.db2.gz UNFMWYAKZFEPBX-QUCCMNQESA-N 1 0 308.400 4.140 20 30 DIEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)c1cccc(Cl)c1F ZINC000469563346 339293373 /nfs/dbraw/zinc/29/33/73/339293373.db2.gz HADHBCXIVXQIBG-UHFFFAOYSA-N 1 0 322.836 4.480 20 30 DIEDRO C[C@H](CCC1CC1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000469799031 339300825 /nfs/dbraw/zinc/30/08/25/339300825.db2.gz IBPSWPDZNOMULD-VNCLNFNDSA-N 1 0 312.457 4.417 20 30 DIEDRO C=CCOCCC[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000470753880 339326852 /nfs/dbraw/zinc/32/68/52/339326852.db2.gz DETWLWIBCODPON-QGZVFWFLSA-N 1 0 301.455 4.214 20 30 DIEDRO C=CCOCCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000470775132 339327530 /nfs/dbraw/zinc/32/75/30/339327530.db2.gz WTDYPLBXSCDPRE-UHFFFAOYSA-N 1 0 313.363 4.267 20 30 DIEDRO C=CCOCCC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000470790316 339328249 /nfs/dbraw/zinc/32/82/49/339328249.db2.gz RMQFANFUYOHVIA-CQSZACIVSA-N 1 0 303.402 4.075 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](OC(C)C)c1ccccc1OC ZINC000471608499 339349396 /nfs/dbraw/zinc/34/93/96/339349396.db2.gz DAZMUPCPFJSMFV-FRQCXROJSA-N 1 0 305.462 4.352 20 30 DIEDRO C=CCCCC[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000472057839 339361473 /nfs/dbraw/zinc/36/14/73/339361473.db2.gz BJRAWEZZIPRDLE-UHFFFAOYSA-N 1 0 303.837 4.186 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000472761493 339377072 /nfs/dbraw/zinc/37/70/72/339377072.db2.gz FMAOMFNOAVWMIF-AAEUAGOBSA-N 1 0 302.245 4.313 20 30 DIEDRO Cc1ccc2[nH]c(C[N@@H+](C)Cc3cccc(C#N)c3)cc2c1C ZINC000473147985 339382983 /nfs/dbraw/zinc/38/29/83/339382983.db2.gz YBPCIAOAHJRIAW-UHFFFAOYSA-N 1 0 303.409 4.288 20 30 DIEDRO CCC1(CC)CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000474004140 339396870 /nfs/dbraw/zinc/39/68/70/339396870.db2.gz CAVCYBNEUCDEHZ-UHFFFAOYSA-N 1 0 310.445 4.045 20 30 DIEDRO CCOC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)C ZINC000474095001 339402055 /nfs/dbraw/zinc/40/20/55/339402055.db2.gz KBYHYSDHHVVLKZ-GPJFCIFZSA-N 1 0 314.473 4.041 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474793355 339426039 /nfs/dbraw/zinc/42/60/39/339426039.db2.gz DKANXXGLLXEMLU-MRVPVSSYSA-N 1 0 308.141 4.132 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCC(C(F)(F)F)CC1 ZINC000474475340 339416443 /nfs/dbraw/zinc/41/64/43/339416443.db2.gz VKGRRLNFRLYMTD-UWTIGNOOSA-N 1 0 310.363 4.405 20 30 DIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000475669508 339458863 /nfs/dbraw/zinc/45/88/63/339458863.db2.gz LVTZVKOFAKBBRB-UHFFFAOYSA-N 1 0 308.425 4.372 20 30 DIEDRO C=CCCCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000479547490 339540450 /nfs/dbraw/zinc/54/04/50/339540450.db2.gz UXKIPRLXERDGJY-UHFFFAOYSA-N 1 0 300.446 4.213 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000480209356 339563624 /nfs/dbraw/zinc/56/36/24/339563624.db2.gz MJNSQZDZICPCIM-CYBMUJFWSA-N 1 0 301.352 4.462 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)c1 ZINC000480358290 339570455 /nfs/dbraw/zinc/57/04/55/339570455.db2.gz GIQKKVKNKBHHGZ-UHFFFAOYSA-N 1 0 324.330 4.386 20 30 DIEDRO CCCc1ccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)C(C)C)cc1 ZINC000480370109 339570985 /nfs/dbraw/zinc/57/09/85/339570985.db2.gz KACXUQCVWRHYIN-HXUWFJFHSA-N 1 0 309.457 4.336 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000481667253 339609203 /nfs/dbraw/zinc/60/92/03/339609203.db2.gz JTCDFBBFFDQNKP-WBVHZDCISA-N 1 0 304.384 4.493 20 30 DIEDRO COc1ccccc1CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481912481 339616512 /nfs/dbraw/zinc/61/65/12/339616512.db2.gz XAVWJUAERSSVHY-FQEVSTJZSA-N 1 0 320.436 4.167 20 30 DIEDRO COc1cccc(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481921708 339616732 /nfs/dbraw/zinc/61/67/32/339616732.db2.gz NWWWIIDYCBVLGU-OAQYLSRUSA-N 1 0 320.436 4.167 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000488136383 339771491 /nfs/dbraw/zinc/77/14/91/339771491.db2.gz GQRJYGSECHCUGT-YOEHRIQHSA-N 1 0 316.445 4.193 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)ccc1C#N ZINC000488138002 339771641 /nfs/dbraw/zinc/77/16/41/339771641.db2.gz WBAPGWXKTCFJJP-ZDUSSCGKSA-N 1 0 316.351 4.319 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000495004563 339969872 /nfs/dbraw/zinc/96/98/72/339969872.db2.gz GUNJVSFMZHZUHI-YJBOKZPZSA-N 1 0 318.436 4.213 20 30 DIEDRO CC(C)C[C@@H](CNc1ncccc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000495318711 339980774 /nfs/dbraw/zinc/98/07/74/339980774.db2.gz DIXSXCZLBURHAB-LPHOPBHVSA-N 1 0 322.456 4.131 20 30 DIEDRO CC(C)(C)C[NH+](CCCC1(C#N)CCOCC1)CC(C)(C)C ZINC000499603908 340040680 /nfs/dbraw/zinc/04/06/80/340040680.db2.gz ATAQMEFGLHXELB-UHFFFAOYSA-N 1 0 308.510 4.481 20 30 DIEDRO N#CC1(CCC[NH2+]C2(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000499605836 340040800 /nfs/dbraw/zinc/04/08/00/340040800.db2.gz MDQHGFTUYYWNQL-UHFFFAOYSA-N 1 0 318.848 4.019 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)cc(OC)c1O ZINC000500156585 340051573 /nfs/dbraw/zinc/05/15/73/340051573.db2.gz MHVHQOLXNBXHGD-HUUCEWRRSA-N 1 0 303.446 4.045 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000500220945 340053285 /nfs/dbraw/zinc/05/32/85/340053285.db2.gz UTEHFOAZXDIFJD-ZDUSSCGKSA-N 1 0 312.438 4.140 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000500229014 340053449 /nfs/dbraw/zinc/05/34/49/340053449.db2.gz LJYOQYLLUVZKRY-FQEVSTJZSA-N 1 0 308.400 4.251 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000500227641 340053532 /nfs/dbraw/zinc/05/35/32/340053532.db2.gz KTZGSRYXVRCZHO-FQEVSTJZSA-N 1 0 308.400 4.251 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc(OC)c1O ZINC000500292667 340054759 /nfs/dbraw/zinc/05/47/59/340054759.db2.gz ULOGAHSLKJFWLZ-GRDNDAEWSA-N 1 0 303.446 4.044 20 30 DIEDRO C=C(C)COCC[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000500396554 340056632 /nfs/dbraw/zinc/05/66/32/340056632.db2.gz ATRPZXKWAPDVDA-UVTDQMKNSA-N 1 0 313.363 4.291 20 30 DIEDRO C[C@H]1C[C@]1([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000500397139 340056685 /nfs/dbraw/zinc/05/66/85/340056685.db2.gz LILWCBUZSLFIDO-MEDUHNTESA-N 1 0 302.830 4.298 20 30 DIEDRO C[C@@H]1C[C@]1([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000500416740 340057670 /nfs/dbraw/zinc/05/76/70/340057670.db2.gz OTSHJSWMQHUJBK-KZULUSFZSA-N 1 0 314.791 4.376 20 30 DIEDRO CC[C@@H]1C[C@]1([NH2+]Cc1ccc(C#N)c(OC)c1)c1cccc(C)c1 ZINC000500532832 340061580 /nfs/dbraw/zinc/06/15/80/340061580.db2.gz LIYBIWDKTZNIHE-WIYYLYMNSA-N 1 0 320.436 4.290 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CCc2cccc3[nH]ccc32)cc1 ZINC000500564090 340062368 /nfs/dbraw/zinc/06/23/68/340062368.db2.gz YYJULYWOCIMOQU-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000404768816 340063182 /nfs/dbraw/zinc/06/31/82/340063182.db2.gz UZAOMZCMFYKNRC-CQSZACIVSA-N 1 0 312.388 4.337 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000501201887 340076160 /nfs/dbraw/zinc/07/61/60/340076160.db2.gz HRJRCRHLMFCWRZ-UHFFFAOYSA-N 1 0 312.388 4.117 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000501483899 340082082 /nfs/dbraw/zinc/08/20/82/340082082.db2.gz XHCTXLAURMNNJU-PXNSSMCTSA-N 1 0 322.452 4.462 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cnn(C2CCCC2)c1 ZINC000502426706 340102886 /nfs/dbraw/zinc/10/28/86/340102886.db2.gz GOCFDRLMZUZIMH-GJZGRUSLSA-N 1 0 308.429 4.282 20 30 DIEDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000502453560 340104289 /nfs/dbraw/zinc/10/42/89/340104289.db2.gz KEWQTSPSLDDDTJ-IKGGRYGDSA-N 1 0 307.359 4.225 20 30 DIEDRO N#Cc1ccc(C2=CC[N@H+](CCCOc3ccccc3)CC2)cc1 ZINC000502513211 340106601 /nfs/dbraw/zinc/10/66/01/340106601.db2.gz WYBXIBGDITWFEA-UHFFFAOYSA-N 1 0 318.420 4.116 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000502539084 340107190 /nfs/dbraw/zinc/10/71/90/340107190.db2.gz DPMKRZYLJZZRJA-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO CC[C@@H]1C[C@]1([NH2+]Cc1cc(C#N)ccc1F)c1cccc(C)c1 ZINC000502560394 340107710 /nfs/dbraw/zinc/10/77/10/340107710.db2.gz QCQHICKRCWMTNX-YLJYHZDGSA-N 1 0 308.400 4.421 20 30 DIEDRO CC[C@H]1C[C@@]1([NH2+]Cc1cc(C#N)ccc1F)c1cccc(C)c1 ZINC000502560392 340107725 /nfs/dbraw/zinc/10/77/25/340107725.db2.gz QCQHICKRCWMTNX-PXNSSMCTSA-N 1 0 308.400 4.421 20 30 DIEDRO CC[C@@H]1C[C@@]1([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(C)c1 ZINC000502560612 340107855 /nfs/dbraw/zinc/10/78/55/340107855.db2.gz RTEGAWNIGVIUKX-NQIIRXRSSA-N 1 0 320.436 4.290 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503006082 340118570 /nfs/dbraw/zinc/11/85/70/340118570.db2.gz RMXONTAPIKUHIT-UXHICEINSA-N 1 0 322.477 4.185 20 30 DIEDRO C[C@@H]1C[C@@]1([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)cc1 ZINC000503372850 340126559 /nfs/dbraw/zinc/12/65/59/340126559.db2.gz HGEGMHCQVGZZQI-XIKOKIGWSA-N 1 0 314.791 4.376 20 30 DIEDRO C[C@@H]1C[C@]1([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)cc1 ZINC000503372848 340126667 /nfs/dbraw/zinc/12/66/67/340126667.db2.gz HGEGMHCQVGZZQI-KZULUSFZSA-N 1 0 314.791 4.376 20 30 DIEDRO C[C@@H]1C[C@]1([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000503378604 340126803 /nfs/dbraw/zinc/12/68/03/340126803.db2.gz STAYAODMODSIFN-KZULUSFZSA-N 1 0 314.791 4.376 20 30 DIEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000503525482 340129704 /nfs/dbraw/zinc/12/97/04/340129704.db2.gz GCBVRBAXPDPCMJ-QZTJIDSGSA-N 1 0 300.446 4.044 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000503571590 340131059 /nfs/dbraw/zinc/13/10/59/340131059.db2.gz ABOIAESQQCPQSU-ZDUSSCGKSA-N 1 0 318.342 4.470 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000479440858 340151650 /nfs/dbraw/zinc/15/16/50/340151650.db2.gz TXBFVCXIAWVWOA-CQSZACIVSA-N 1 0 321.399 4.348 20 30 DIEDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000479451492 340151817 /nfs/dbraw/zinc/15/18/17/340151817.db2.gz JTBIPNGQHRRNLM-AWEZNQCLSA-N 1 0 321.399 4.348 20 30 DIEDRO C[N@H+](Cc1cccs1)Cc1cccc(OCCCC#N)c1 ZINC000505630636 340173596 /nfs/dbraw/zinc/17/35/96/340173596.db2.gz DCFVSYRRCXBGIU-UHFFFAOYSA-N 1 0 300.427 4.063 20 30 DIEDRO CC(C)[NH+](CCN(C)Cc1ccccc1C(C)(C)C#N)C(C)C ZINC000505907954 340181361 /nfs/dbraw/zinc/18/13/61/340181361.db2.gz VZXFDJGZCDBGSC-UHFFFAOYSA-N 1 0 315.505 4.038 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(OCC)c(OC)c1 ZINC000506011500 340183098 /nfs/dbraw/zinc/18/30/98/340183098.db2.gz CQJGCMBAPABIIQ-UHFFFAOYSA-N 1 0 317.454 4.344 20 30 DIEDRO C=CCc1cc(C[N@H+](C)[C@@H](C)c2ccccc2)cc(OC)c1O ZINC000506017264 340183409 /nfs/dbraw/zinc/18/34/09/340183409.db2.gz PIYCGBLHFKODRE-HNNXBMFYSA-N 1 0 311.425 4.322 20 30 DIEDRO C=CCOc1ccccc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000506258578 340190302 /nfs/dbraw/zinc/19/03/02/340190302.db2.gz IRCKYNQURRKRGA-UHFFFAOYSA-N 1 0 321.420 4.246 20 30 DIEDRO CN(Cc1ccccc1C#N)Cc1ccccc1OC(F)(F)F ZINC000506338228 340192634 /nfs/dbraw/zinc/19/26/34/340192634.db2.gz DUCXBUFQMMVZOX-UHFFFAOYSA-N 1 0 320.314 4.089 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OC(F)(F)F ZINC000506338156 340192655 /nfs/dbraw/zinc/19/26/55/340192655.db2.gz BCGWHHZTCURSQL-UHFFFAOYSA-N 1 0 320.314 4.089 20 30 DIEDRO N#Cc1ccc(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)o1 ZINC000506393860 340194045 /nfs/dbraw/zinc/19/40/45/340194045.db2.gz HCLFJKPRMNGOOX-OAQYLSRUSA-N 1 0 314.388 4.299 20 30 DIEDRO CC[N@H+](Cc1ccccc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506481749 340195417 /nfs/dbraw/zinc/19/54/17/340195417.db2.gz QFDNOLWIKITPAV-INIZCTEOSA-N 1 0 308.425 4.020 20 30 DIEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)Cc2cnc3ccc(C#N)cn23)c1 ZINC000507203272 340212983 /nfs/dbraw/zinc/21/29/83/340212983.db2.gz MQXDGAPTGIUGEU-INIZCTEOSA-N 1 0 318.424 4.016 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000507212831 340213764 /nfs/dbraw/zinc/21/37/64/340213764.db2.gz PAOOADDXSDVDEY-UHFFFAOYSA-N 1 0 322.305 4.348 20 30 DIEDRO CC(C)c1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000507217569 340214280 /nfs/dbraw/zinc/21/42/80/340214280.db2.gz XMIZLIMJWNYGCI-UHFFFAOYSA-N 1 0 323.396 4.222 20 30 DIEDRO CCN(Cc1c(F)ccc(O)c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000507333395 340217382 /nfs/dbraw/zinc/21/73/82/340217382.db2.gz LWZOKVKDHOCHJX-LBPRGKRZSA-N 1 0 316.351 4.125 20 30 DIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000507377485 340218406 /nfs/dbraw/zinc/21/84/06/340218406.db2.gz WVFJBNAXPXYACK-NSHDSACASA-N 1 0 308.303 4.363 20 30 DIEDRO CO[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C ZINC000507615634 340226304 /nfs/dbraw/zinc/22/63/04/340226304.db2.gz ZFNJENSYVMHJLV-FDYSRKEFSA-N 1 0 314.473 4.041 20 30 DIEDRO C[C@H](c1ccccc1F)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507848652 340233981 /nfs/dbraw/zinc/23/39/81/340233981.db2.gz WJDFHECDVTZMFW-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO CCC1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000508329916 340242459 /nfs/dbraw/zinc/24/24/59/340242459.db2.gz ZELKMIJXSNAHBC-UHFFFAOYSA-N 1 0 302.487 4.350 20 30 DIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000508468367 340244231 /nfs/dbraw/zinc/24/42/31/340244231.db2.gz QXNIVSCDSBZKMP-UHFFFAOYSA-N 1 0 321.424 4.042 20 30 DIEDRO CCOc1ccc(C[N@H+](Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000508540280 340246149 /nfs/dbraw/zinc/24/61/49/340246149.db2.gz CAAFVRCGXPXPSA-UHFFFAOYSA-N 1 0 314.454 4.429 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508603984 340247654 /nfs/dbraw/zinc/24/76/54/340247654.db2.gz KWYNNOTYNOEXCW-OAHLLOKOSA-N 1 0 323.396 4.358 20 30 DIEDRO CC[N@H+](Cc1cc(OC)cc(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508602894 340247660 /nfs/dbraw/zinc/24/76/60/340247660.db2.gz GXWXCXVTTINCGS-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000508664965 340249933 /nfs/dbraw/zinc/24/99/33/340249933.db2.gz KSHBZOARHXNSRJ-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000509006190 340257986 /nfs/dbraw/zinc/25/79/86/340257986.db2.gz IIOFYKQRBRFVMA-NSHDSACASA-N 1 0 304.381 4.308 20 30 DIEDRO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000509009060 340258039 /nfs/dbraw/zinc/25/80/39/340258039.db2.gz WSOOKDJNBJYNMQ-BBRMVZONSA-N 1 0 324.262 4.177 20 30 DIEDRO C=C(C)CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000509348252 340266869 /nfs/dbraw/zinc/26/68/69/340266869.db2.gz MENICWJUUUONJW-HNNXBMFYSA-N 1 0 315.392 4.021 20 30 DIEDRO C=C(C)CC[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000509701675 340277501 /nfs/dbraw/zinc/27/75/01/340277501.db2.gz XAOFNKRQJJAEMC-KRWDZBQOSA-N 1 0 318.848 4.054 20 30 DIEDRO CC(C)(CCC#N)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000510394735 340297675 /nfs/dbraw/zinc/29/76/75/340297675.db2.gz KTCSQIJXUIAHFX-UHFFFAOYSA-N 1 0 302.437 4.410 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(COC)c1 ZINC000510647169 340304872 /nfs/dbraw/zinc/30/48/72/340304872.db2.gz IZHBOWZPCZFRTO-UHFFFAOYSA-N 1 0 311.425 4.030 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000303167366 340308142 /nfs/dbraw/zinc/30/81/42/340308142.db2.gz IEGNBCKBKHSVLB-QGZVFWFLSA-N 1 0 308.400 4.467 20 30 DIEDRO C=CC[N@@H+](CC(=O)Nc1cccc(C)c1C)CC1CCCCC1 ZINC000303426934 340325264 /nfs/dbraw/zinc/32/52/64/340325264.db2.gz CDTVUKIYPLBNFA-UHFFFAOYSA-N 1 0 314.473 4.310 20 30 DIEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)cc1 ZINC000303552585 340333267 /nfs/dbraw/zinc/33/32/67/340333267.db2.gz HGNGBZFCLVZQHA-FQEVSTJZSA-N 1 0 308.400 4.213 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000511843781 340340099 /nfs/dbraw/zinc/34/00/99/340340099.db2.gz ONHOPVBJZYTYEV-NJDAHSKKSA-N 1 0 302.421 4.326 20 30 DIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1OC ZINC000511875320 340341268 /nfs/dbraw/zinc/34/12/68/340341268.db2.gz RTOAJQLNQXOLEQ-IRXDYDNUSA-N 1 0 301.430 4.025 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1c(C)nn(CCC)c1C ZINC000512030071 340345949 /nfs/dbraw/zinc/34/59/49/340345949.db2.gz GVRMJWOBPWWLHH-UHFFFAOYSA-N 1 0 311.473 4.141 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000512051154 340346883 /nfs/dbraw/zinc/34/68/83/340346883.db2.gz GJXTWPGCYDFLGZ-NSHDSACASA-N 1 0 318.280 4.062 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000512051153 340346885 /nfs/dbraw/zinc/34/68/85/340346885.db2.gz GJXTWPGCYDFLGZ-LLVKDONJSA-N 1 0 318.280 4.062 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)CCc1ccccc1 ZINC000512224831 340353026 /nfs/dbraw/zinc/35/30/26/340353026.db2.gz CNVULXKWGKOZGW-KRWDZBQOSA-N 1 0 313.441 4.171 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512292473 340355830 /nfs/dbraw/zinc/35/58/30/340355830.db2.gz PQDKHCACHFCPNV-OAHLLOKOSA-N 1 0 306.409 4.292 20 30 DIEDRO CC1(C#N)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000512334180 340357659 /nfs/dbraw/zinc/35/76/59/340357659.db2.gz NAWQVXBVBRRIHE-UHFFFAOYSA-N 1 0 304.437 4.444 20 30 DIEDRO C=C(C)C[N@@H+](CCCC(C)(C)C#N)Cc1cnn(C(C)C)c1 ZINC000512512181 340364873 /nfs/dbraw/zinc/36/48/73/340364873.db2.gz RCRTUCCPLZAOOK-UHFFFAOYSA-N 1 0 302.466 4.172 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3nc(C)sc3c2)cc1 ZINC000512557803 340366813 /nfs/dbraw/zinc/36/68/13/340366813.db2.gz YCNSEEFCXQOPMG-UHFFFAOYSA-N 1 0 324.449 4.459 20 30 DIEDRO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(C#N)cc1F ZINC000512614202 340369128 /nfs/dbraw/zinc/36/91/28/340369128.db2.gz VCIAJPSWOHWIGP-ZDUSSCGKSA-N 1 0 307.372 4.072 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512623763 340369631 /nfs/dbraw/zinc/36/96/31/340369631.db2.gz GOTBISIDKNVKOQ-VXGBXAGGSA-N 1 0 316.351 4.257 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512623762 340369712 /nfs/dbraw/zinc/36/97/12/340369712.db2.gz GOTBISIDKNVKOQ-RYUDHWBXSA-N 1 0 316.351 4.257 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1Cl ZINC000512626952 340369756 /nfs/dbraw/zinc/36/97/56/340369756.db2.gz XZCZAARDKBGPQX-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO C[C@H]([NH2+]CCSc1ccccc1)c1ccc(C#N)cc1F ZINC000512626922 340369904 /nfs/dbraw/zinc/36/99/04/340369904.db2.gz XPTLLXUGFRTDGK-ZDUSSCGKSA-N 1 0 300.402 4.140 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000512629638 340369986 /nfs/dbraw/zinc/36/99/86/340369986.db2.gz JPJOSTSIOTUWPV-YEWWUXTCSA-N 1 0 318.436 4.189 20 30 DIEDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccc(C#N)cc1F ZINC000512636225 340370335 /nfs/dbraw/zinc/37/03/35/340370335.db2.gz KNXUOYPNROJYKN-VLIAUNLRSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccc(C#N)cc1F ZINC000512641557 340370574 /nfs/dbraw/zinc/37/05/74/340370574.db2.gz IFODSEYQAWUUQB-QWHCGFSZSA-N 1 0 302.418 4.288 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512641875 340370706 /nfs/dbraw/zinc/37/07/06/340370706.db2.gz KTOGSJDFWGYGNO-CHWSQXEVSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(C#N)cc1F ZINC000512650133 340370860 /nfs/dbraw/zinc/37/08/60/340370860.db2.gz XKKANJRZNBVKNW-GDBMZVCRSA-N 1 0 316.420 4.230 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512649034 340370876 /nfs/dbraw/zinc/37/08/76/340370876.db2.gz PZFYCGGHPATOOR-HNNXBMFYSA-N 1 0 323.415 4.017 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000512655442 340371254 /nfs/dbraw/zinc/37/12/54/340371254.db2.gz UMEKCLLAJDURLN-RDTXWAMCSA-N 1 0 311.404 4.449 20 30 DIEDRO Cc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512654793 340371378 /nfs/dbraw/zinc/37/13/78/340371378.db2.gz OVNMWBUWRZIKSD-HUUCEWRRSA-N 1 0 312.388 4.124 20 30 DIEDRO C[C@@H](NCc1ccccc1OC1CCC1)c1ccc(C#N)cc1F ZINC000512667889 340372098 /nfs/dbraw/zinc/37/20/98/340372098.db2.gz RRKLQJUOVKQUJT-CQSZACIVSA-N 1 0 324.399 4.479 20 30 DIEDRO C[N@H+](CCc1cccc2ccccc21)Cc1cc(C#N)cs1 ZINC000512668597 340372150 /nfs/dbraw/zinc/37/21/50/340372150.db2.gz MLTJENFGYRLYFS-UHFFFAOYSA-N 1 0 306.434 4.447 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000512674625 340372445 /nfs/dbraw/zinc/37/24/45/340372445.db2.gz YFUBQYSPCJZGTJ-UHTWSYAYSA-N 1 0 314.326 4.469 20 30 DIEDRO N#CCSCCC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000173901253 340377188 /nfs/dbraw/zinc/37/71/88/340377188.db2.gz JCUDGJPTEKVLGB-HXUWFJFHSA-N 1 0 322.477 4.433 20 30 DIEDRO CC[C@@H]1C[N@H+](CCCSCC#N)CC[C@@H]1c1ccccc1 ZINC000174888864 340398504 /nfs/dbraw/zinc/39/85/04/340398504.db2.gz HXSWVWLRHMJGRR-AEFFLSMTSA-N 1 0 302.487 4.149 20 30 DIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(SC(C)C)cc2)CC1 ZINC000177909851 340445484 /nfs/dbraw/zinc/44/54/84/340445484.db2.gz YHRBQVOGPPMMMI-INIZCTEOSA-N 1 0 318.530 4.488 20 30 DIEDRO COc1c(Cl)cc(Cl)cc1C[NH2+]CC(C)(C)CCC#N ZINC000516890396 340458049 /nfs/dbraw/zinc/45/80/49/340458049.db2.gz ZOWJKQSSPYIKNU-UHFFFAOYSA-N 1 0 315.244 4.422 20 30 DIEDRO CC1(C)CC[C@@H]2C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c3cccc1c32 ZINC000517230978 340466200 /nfs/dbraw/zinc/46/62/00/340466200.db2.gz MBIHZENTSBYKNT-IIDMSEBBSA-N 1 0 307.441 4.320 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000185778459 340505013 /nfs/dbraw/zinc/50/50/13/340505013.db2.gz NZJSCRMZYONYGW-DOTOQJQBSA-N 1 0 316.445 4.046 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000185811165 340505608 /nfs/dbraw/zinc/50/56/08/340505608.db2.gz DAHACJGFWPKJPO-XJKSGUPXSA-N 1 0 322.374 4.409 20 30 DIEDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC000223666969 340546978 /nfs/dbraw/zinc/54/69/78/340546978.db2.gz BQUBOGXBKBLSIL-GFCCVEGCSA-N 1 0 300.402 4.270 20 30 DIEDRO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)C ZINC000191013600 340549084 /nfs/dbraw/zinc/54/90/84/340549084.db2.gz CAGRIIWWHXTNQQ-LJQANCHMSA-N 1 0 321.424 4.438 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(F)c(F)c(F)c1 ZINC000521937994 340558162 /nfs/dbraw/zinc/55/81/62/340558162.db2.gz GZOQGJWYDNHNRG-LLVKDONJSA-N 1 0 304.315 4.021 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000522627661 340605930 /nfs/dbraw/zinc/60/59/30/340605930.db2.gz SQROMTSWZSWBAX-OAHLLOKOSA-N 1 0 311.425 4.425 20 30 DIEDRO C=CC1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000523605852 340629544 /nfs/dbraw/zinc/62/95/44/340629544.db2.gz YGVPHXYPMUJNEJ-UHFFFAOYSA-N 1 0 302.805 4.393 20 30 DIEDRO CC(C)CCOc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000236776132 340665011 /nfs/dbraw/zinc/66/50/11/340665011.db2.gz BPMKFENKOIUEFO-UHFFFAOYSA-N 1 0 308.425 4.273 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000538153943 340811602 /nfs/dbraw/zinc/81/16/02/340811602.db2.gz AZIDURLWROPBAG-HNNXBMFYSA-N 1 0 308.425 4.023 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](CC)c1ccc(Cl)cc1Cl ZINC000538198309 340812869 /nfs/dbraw/zinc/81/28/69/340812869.db2.gz QHLYSIILIBZUOB-IAQYHMDHSA-N 1 0 302.245 4.219 20 30 DIEDRO C[C@@H]([NH2+]CCOc1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000538394253 340820473 /nfs/dbraw/zinc/82/04/73/340820473.db2.gz STDLNHSATKBDCM-MRXNPFEDSA-N 1 0 316.404 4.441 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(C#N)c(F)c1 ZINC000538508720 340829612 /nfs/dbraw/zinc/82/96/12/340829612.db2.gz ZYVAGZNIINFGEY-SNVBAGLBSA-N 1 0 308.809 4.306 20 30 DIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCC1)c1cccc(C#N)c1 ZINC000539494287 340887097 /nfs/dbraw/zinc/88/70/97/340887097.db2.gz DFHZSMXKVWVKES-HNNXBMFYSA-N 1 0 308.400 4.470 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000539496132 340887330 /nfs/dbraw/zinc/88/73/30/340887330.db2.gz ILHMWXBWEGZMAS-KSSFIOAISA-N 1 0 312.388 4.206 20 30 DIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000539496130 340887336 /nfs/dbraw/zinc/88/73/36/340887336.db2.gz ILHMWXBWEGZMAS-KBXCAEBGSA-N 1 0 312.388 4.206 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)c1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000539608544 340892270 /nfs/dbraw/zinc/89/22/70/340892270.db2.gz QVHBUMGMQNUFOM-ZDUSSCGKSA-N 1 0 314.379 4.465 20 30 DIEDRO CCC(CC)[C@@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)OC ZINC000539610490 340892757 /nfs/dbraw/zinc/89/27/57/340892757.db2.gz YKJGKCSFGZZEIJ-SCLBCKFNSA-N 1 0 306.425 4.189 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1OC(F)F ZINC000540348745 340927996 /nfs/dbraw/zinc/92/79/96/340927996.db2.gz XWLDOIIDFDZPPZ-ZDUSSCGKSA-N 1 0 319.326 4.129 20 30 DIEDRO C=CCC[NH2+][C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000540361448 340928581 /nfs/dbraw/zinc/92/85/81/340928581.db2.gz YOBXXBAJPQKTCM-SFHVURJKSA-N 1 0 311.425 4.153 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000540476685 340932813 /nfs/dbraw/zinc/93/28/13/340932813.db2.gz JBHFNEUSGGPPJM-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO CCc1cccc2c(CC[NH2+][C@H](C)c3ccc(C#N)cc3)c[nH]c21 ZINC000540594652 340937479 /nfs/dbraw/zinc/93/74/79/340937479.db2.gz DTOVQXCSONUYAN-OAHLLOKOSA-N 1 0 317.436 4.495 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000540604956 340938183 /nfs/dbraw/zinc/93/81/83/340938183.db2.gz BBTBSUFFABBJJZ-LSDHHAIUSA-N 1 0 309.409 4.421 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(C#N)c(F)c1 ZINC000540707082 340942369 /nfs/dbraw/zinc/94/23/69/340942369.db2.gz OKPICSWASXYIQG-CQSZACIVSA-N 1 0 324.399 4.479 20 30 DIEDRO CCOC1CC([NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000541258463 340964114 /nfs/dbraw/zinc/96/41/14/340964114.db2.gz QWWGQXLNWWQFKG-TVRCVXMWSA-N 1 0 320.436 4.443 20 30 DIEDRO COc1ccc(Oc2ccc(C[NH2+]CCCCC#N)cc2)cc1 ZINC000541540172 340973270 /nfs/dbraw/zinc/97/32/70/340973270.db2.gz DAADBYHXQPEUOX-UHFFFAOYSA-N 1 0 310.397 4.271 20 30 DIEDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542012339 340993273 /nfs/dbraw/zinc/99/32/73/340993273.db2.gz FZTVWAFYSANUJT-INIZCTEOSA-N 1 0 320.436 4.181 20 30 DIEDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000542124326 340996128 /nfs/dbraw/zinc/99/61/28/340996128.db2.gz XZJDMQXTZHABJD-HNNXBMFYSA-N 1 0 307.441 4.296 20 30 DIEDRO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(CC#N)cc2)c1 ZINC000542207607 341000030 /nfs/dbraw/zinc/00/00/30/341000030.db2.gz OOBQWTVHSLCTMZ-UHFFFAOYSA-N 1 0 308.425 4.172 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542277323 341003043 /nfs/dbraw/zinc/00/30/43/341003043.db2.gz NRBJOQOWXBREEJ-KXBFYZLASA-N 1 0 308.400 4.270 20 30 DIEDRO COc1ccc(C2(C[NH2+][C@@H](C)c3ccc(C#N)cc3)CCC2)cc1 ZINC000542488753 341010075 /nfs/dbraw/zinc/01/00/75/341010075.db2.gz WHVXJCHTPCGNHU-INIZCTEOSA-N 1 0 320.436 4.339 20 30 DIEDRO CC[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc(Cl)s1 ZINC000542556240 341013515 /nfs/dbraw/zinc/01/35/15/341013515.db2.gz MMTXZEHSXMKTLE-ZDUSSCGKSA-N 1 0 320.845 4.393 20 30 DIEDRO CC(C)CCOc1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC000542850097 341023576 /nfs/dbraw/zinc/02/35/76/341023576.db2.gz LTJCKYCUAYEXQX-UHFFFAOYSA-N 1 0 300.446 4.237 20 30 DIEDRO C[C@H](c1cccc(Br)c1)[NH+]1CCC(CC#N)CC1 ZINC000542878320 341024703 /nfs/dbraw/zinc/02/47/03/341024703.db2.gz GKBBRJJYOZARAV-GFCCVEGCSA-N 1 0 307.235 4.136 20 30 DIEDRO N#CCC[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000130523390 341026371 /nfs/dbraw/zinc/02/63/71/341026371.db2.gz TWVZSHTVDDGNGQ-HXUWFJFHSA-N 1 0 316.408 4.007 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1cccc(C#N)c1 ZINC000071307832 341028815 /nfs/dbraw/zinc/02/88/15/341028815.db2.gz JIAUEOYFYJQEOZ-SNVBAGLBSA-N 1 0 321.243 4.233 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000543172741 341035180 /nfs/dbraw/zinc/03/51/80/341035180.db2.gz LVSKEYFBOYOWOZ-XOBRGWDASA-N 1 0 324.399 4.289 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccccc2C#N)c1 ZINC000543175859 341035350 /nfs/dbraw/zinc/03/53/50/341035350.db2.gz JYQGWJJMUPJFRP-YWZLYKJASA-N 1 0 306.409 4.150 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000543208047 341036893 /nfs/dbraw/zinc/03/68/93/341036893.db2.gz KCSRTBIGSJQBHX-SFTDATJTSA-N 1 0 315.420 4.024 20 30 DIEDRO C=CCCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000543632871 341052175 /nfs/dbraw/zinc/05/21/75/341052175.db2.gz YWNBOSBIQXBLGI-UHFFFAOYSA-N 1 0 305.315 4.165 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000543635114 341052456 /nfs/dbraw/zinc/05/24/56/341052456.db2.gz MRUPVPRHHKQKOP-LSDHHAIUSA-N 1 0 301.455 4.250 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000543635104 341052460 /nfs/dbraw/zinc/05/24/60/341052460.db2.gz MRUPVPRHHKQKOP-CABCVRRESA-N 1 0 301.455 4.250 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873784 341062141 /nfs/dbraw/zinc/06/21/41/341062141.db2.gz HTNLXTQKDVGWIU-HRAATJIYSA-N 1 0 320.436 4.445 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960930 341064293 /nfs/dbraw/zinc/06/42/93/341064293.db2.gz GAFPZRGGVPRSNQ-HRAATJIYSA-N 1 0 320.436 4.445 20 30 DIEDRO CCCC(CCC)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000544002919 341065888 /nfs/dbraw/zinc/06/58/88/341065888.db2.gz ZKSSCQYXEYQSHS-UHFFFAOYSA-N 1 0 315.461 4.202 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2cc(C#N)cs2)c1 ZINC000544367273 341078395 /nfs/dbraw/zinc/07/83/95/341078395.db2.gz UTOGDPKSNQAEQA-UGSOOPFHSA-N 1 0 312.438 4.211 20 30 DIEDRO N#CCSCCC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000072515176 341088700 /nfs/dbraw/zinc/08/87/00/341088700.db2.gz RYAKICXBZDUIKB-SFHVURJKSA-N 1 0 300.471 4.175 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000544939980 341100329 /nfs/dbraw/zinc/10/03/29/341100329.db2.gz XEYWMIBPIWWGNC-MRXNPFEDSA-N 1 0 300.446 4.237 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000544939979 341100399 /nfs/dbraw/zinc/10/03/99/341100399.db2.gz XEYWMIBPIWWGNC-INIZCTEOSA-N 1 0 300.446 4.237 20 30 DIEDRO CC[C@@H](CSc1ccccc1)[NH2+]Cc1ccc(C#N)s1 ZINC000131701777 341109157 /nfs/dbraw/zinc/10/91/57/341109157.db2.gz HQJRFRRWMAFQKL-ZDUSSCGKSA-N 1 0 302.468 4.280 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000545315565 341121017 /nfs/dbraw/zinc/12/10/17/341121017.db2.gz TVZAFTPSGRLOSQ-QZTJIDSGSA-N 1 0 314.473 4.290 20 30 DIEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000545978971 341149297 /nfs/dbraw/zinc/14/92/97/341149297.db2.gz XEONUQKTTVLSSZ-IOASZLSFSA-N 1 0 314.256 4.156 20 30 DIEDRO C=CC[C@@H](CO)[NH2+][C@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000546685840 341178652 /nfs/dbraw/zinc/17/86/52/341178652.db2.gz SBGFWPMXPOKQOX-SWLSCSKDSA-N 1 0 302.245 4.361 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000075755823 341182097 /nfs/dbraw/zinc/18/20/97/341182097.db2.gz YNYVWGKBEQGXCR-GFCCVEGCSA-N 1 0 320.314 4.308 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000547280683 341203518 /nfs/dbraw/zinc/20/35/18/341203518.db2.gz LKHVIQVINJYVQY-GUYCJALGSA-N 1 0 303.837 4.107 20 30 DIEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000547374907 341209703 /nfs/dbraw/zinc/20/97/03/341209703.db2.gz HJHSEAMEFQYTIU-LBPRGKRZSA-N 1 0 307.846 4.095 20 30 DIEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000547374906 341209711 /nfs/dbraw/zinc/20/97/11/341209711.db2.gz HJHSEAMEFQYTIU-GFCCVEGCSA-N 1 0 307.846 4.095 20 30 DIEDRO Cc1cc(Cl)ccc1OCCC[NH2+]Cc1cc(C#N)cs1 ZINC000237614524 341216526 /nfs/dbraw/zinc/21/65/26/341216526.db2.gz ODXDOEXFLXPWKD-UHFFFAOYSA-N 1 0 320.845 4.140 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)cc1 ZINC000237700361 341218438 /nfs/dbraw/zinc/21/84/38/341218438.db2.gz HBZDINUJMVSLDF-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO FC(F)(F)[C@@H]1CC[N@H+](CC#Cc2ccccc2)CC12CCC2 ZINC000548934604 341281630 /nfs/dbraw/zinc/28/16/30/341281630.db2.gz LROQIYMSBWLURB-MRXNPFEDSA-N 1 0 307.359 4.093 20 30 DIEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549474042 341295437 /nfs/dbraw/zinc/29/54/37/341295437.db2.gz YGDLUNFIXSHUJO-QZTJIDSGSA-N 1 0 308.416 4.044 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cc(F)c(Cl)cc1Cl ZINC000549535372 341296731 /nfs/dbraw/zinc/29/67/31/341296731.db2.gz FMUDGGYETYOZBC-IVZWLZJFSA-N 1 0 301.192 4.475 20 30 DIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)C1CCCC1 ZINC000549545489 341297045 /nfs/dbraw/zinc/29/70/45/341297045.db2.gz WPLSPMGFFQAQMS-UHFFFAOYSA-N 1 0 318.486 4.168 20 30 DIEDRO N#CCCOCC[N@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000549870424 341305770 /nfs/dbraw/zinc/30/57/70/341305770.db2.gz YXZLPMVZYWXSHW-QGZVFWFLSA-N 1 0 320.864 4.057 20 30 DIEDRO CC(C)c1ccc([C@H]2CCCC[N@@H+]2CCOCCC#N)cc1 ZINC000549921592 341306729 /nfs/dbraw/zinc/30/67/29/341306729.db2.gz FKZZGOMVIXLZAZ-LJQANCHMSA-N 1 0 300.446 4.267 20 30 DIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)CCO1 ZINC000245899944 341317746 /nfs/dbraw/zinc/31/77/46/341317746.db2.gz DMPTWRFWMAQZEA-CCKFTAQKSA-N 1 0 300.446 4.193 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000551009184 341329124 /nfs/dbraw/zinc/32/91/24/341329124.db2.gz QTPIMQWWEOOCGQ-ZLGUVYLKSA-N 1 0 319.452 4.044 20 30 DIEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CCOCC1 ZINC000551221669 341334261 /nfs/dbraw/zinc/33/42/61/341334261.db2.gz FSVBXQVLUCDQIZ-OALUTQOASA-N 1 0 300.446 4.216 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000551240339 341335134 /nfs/dbraw/zinc/33/51/34/341335134.db2.gz JXZKZDNQAROHQP-AWEZNQCLSA-N 1 0 305.462 4.135 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(OCCCC)cc2)CC1 ZINC000551532957 341344322 /nfs/dbraw/zinc/34/43/22/341344322.db2.gz GSEVIHVDCWKDCZ-QGZVFWFLSA-N 1 0 316.489 4.167 20 30 DIEDRO N#Cc1cccc(C2([NH2+]C/C=C/c3ccc(F)cc3F)CC2)c1 ZINC000551580410 341346284 /nfs/dbraw/zinc/34/62/84/341346284.db2.gz HPZWCCODQGELPE-DUXPYHPUSA-N 1 0 310.347 4.129 20 30 DIEDRO C[C@H](C[NH2+]Cc1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000551588447 341346639 /nfs/dbraw/zinc/34/66/39/341346639.db2.gz VZQHJQFYJQEKOO-SSDOTTSWSA-N 1 0 319.220 4.012 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccco1 ZINC000552032932 341363323 /nfs/dbraw/zinc/36/33/23/341363323.db2.gz CVOCUWTZTAQYEG-PKOBYXMFSA-N 1 0 310.441 4.403 20 30 DIEDRO C=CCC[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccco1 ZINC000552040296 341364041 /nfs/dbraw/zinc/36/40/41/341364041.db2.gz WMNZNUAQWUZTCR-KRWDZBQOSA-N 1 0 309.413 4.317 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000552283110 341383989 /nfs/dbraw/zinc/38/39/89/341383989.db2.gz YVIXFOSECXVTCO-AEFFLSMTSA-N 1 0 311.473 4.085 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000552286128 341384319 /nfs/dbraw/zinc/38/43/19/341384319.db2.gz KGPNGOJBUQTPIN-SJKOYZFVSA-N 1 0 300.402 4.342 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1OC(F)F ZINC000248827266 341387846 /nfs/dbraw/zinc/38/78/46/341387846.db2.gz MCPNROYXYSMZPE-NFAWXSAZSA-N 1 0 308.372 4.411 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000248860668 341388758 /nfs/dbraw/zinc/38/87/58/341388758.db2.gz PQXWGQJSJVDDTE-YSVLISHTSA-N 1 0 316.420 4.347 20 30 DIEDRO COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248889757 341389646 /nfs/dbraw/zinc/38/96/46/341389646.db2.gz SMKOVJCGHBHLRP-BZUAXINKSA-N 1 0 318.486 4.095 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000248900664 341389882 /nfs/dbraw/zinc/38/98/82/341389882.db2.gz ULEFXMYXZZFQPE-VWYCJHECSA-N 1 0 317.380 4.285 20 30 DIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000552502505 341396638 /nfs/dbraw/zinc/39/66/38/341396638.db2.gz ZLZQIWBPINLZJA-GOSISDBHSA-N 1 0 322.880 4.051 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000249409586 341397227 /nfs/dbraw/zinc/39/72/27/341397227.db2.gz XMZJCXKIAFTHLC-FXAWDEMLSA-N 1 0 320.436 4.158 20 30 DIEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000552922687 341408766 /nfs/dbraw/zinc/40/87/66/341408766.db2.gz OMVRFAVOLNEDJY-IFZYUDKTSA-N 1 0 302.421 4.459 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000090451084 341415849 /nfs/dbraw/zinc/41/58/49/341415849.db2.gz YBJCHJBOIIMCRT-AWEZNQCLSA-N 1 0 302.443 4.053 20 30 DIEDRO C=CCCOCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000090883569 341420062 /nfs/dbraw/zinc/42/00/62/341420062.db2.gz PUUNRRXSNXDDFP-CQSZACIVSA-N 1 0 316.470 4.362 20 30 DIEDRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000554079666 341443044 /nfs/dbraw/zinc/44/30/44/341443044.db2.gz YZHWGNZHENJPPD-GOSISDBHSA-N 1 0 311.404 4.359 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554359785 341451137 /nfs/dbraw/zinc/45/11/37/341451137.db2.gz RWBWZRSQYKPPGB-IRXDYDNUSA-N 1 0 300.446 4.152 20 30 DIEDRO COC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCC(c2ccccc2)CC1 ZINC000554374200 341452276 /nfs/dbraw/zinc/45/22/76/341452276.db2.gz QGMBYIRBBLQLOT-VHBXLISGSA-N 1 0 312.457 4.011 20 30 DIEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)sc1Br ZINC000554719169 341461941 /nfs/dbraw/zinc/46/19/41/341461941.db2.gz ISUUTFNMXLDECK-UHFFFAOYSA-N 1 0 315.280 4.239 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000093405882 341471883 /nfs/dbraw/zinc/47/18/83/341471883.db2.gz WGZIBWLNAHRHPD-SFHVURJKSA-N 1 0 304.503 4.219 20 30 DIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000555104303 341475215 /nfs/dbraw/zinc/47/52/15/341475215.db2.gz UZJGRQYTIZMDPK-MRVPVSSYSA-N 1 0 310.241 4.008 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000555591190 341486134 /nfs/dbraw/zinc/48/61/34/341486134.db2.gz ROLNGNMPGWKGEC-UHFFFAOYSA-N 1 0 310.441 4.353 20 30 DIEDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000556295808 341501030 /nfs/dbraw/zinc/50/10/30/341501030.db2.gz SHKCGZMQWWGDQC-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO COc1ccc(C[NH+]2CCC(CCC#N)CC2)c2ccccc12 ZINC000564990953 341514547 /nfs/dbraw/zinc/51/45/47/341514547.db2.gz QFQHSFSZHQTJQF-UHFFFAOYSA-N 1 0 308.425 4.364 20 30 DIEDRO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565738383 341536679 /nfs/dbraw/zinc/53/66/79/341536679.db2.gz STJYHBSXYRYSOR-YWZLYKJASA-N 1 0 322.452 4.283 20 30 DIEDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000267202927 341590029 /nfs/dbraw/zinc/59/00/29/341590029.db2.gz GDQPVKSYONOBDN-HUUCEWRRSA-N 1 0 310.397 4.009 20 30 DIEDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000267202925 341590032 /nfs/dbraw/zinc/59/00/32/341590032.db2.gz GDQPVKSYONOBDN-GJZGRUSLSA-N 1 0 310.397 4.009 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 ZINC000268797162 341604095 /nfs/dbraw/zinc/60/40/95/341604095.db2.gz IUQOVMPNVSXLQT-LSDHHAIUSA-N 1 0 322.408 4.131 20 30 DIEDRO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(CCC#N)CC2)c1C ZINC000567790345 341633425 /nfs/dbraw/zinc/63/34/25/341633425.db2.gz XUGZFDLPJNJDEO-UHFFFAOYSA-N 1 0 312.457 4.330 20 30 DIEDRO CSC1(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000568328747 341665475 /nfs/dbraw/zinc/66/54/75/341665475.db2.gz LBIPBEPZMMQXNB-UHFFFAOYSA-N 1 0 308.450 4.210 20 30 DIEDRO COc1cccc(C2(C[NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)c1 ZINC000574369048 341756657 /nfs/dbraw/zinc/75/66/57/341756657.db2.gz AJQBEIAQTBRBEG-CQSZACIVSA-N 1 0 324.399 4.088 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC([C@@H](F)c3ccccc3F)CC2)C1 ZINC000575199429 341785412 /nfs/dbraw/zinc/78/54/12/341785412.db2.gz SXRNNOQZOKJJDJ-QIIPPGSGSA-N 1 0 304.384 4.241 20 30 DIEDRO C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 ZINC000174068575 341823686 /nfs/dbraw/zinc/82/36/86/341823686.db2.gz JZIQXUZYHLYFDA-HNNXBMFYSA-N 1 0 303.409 4.323 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC000576910855 341869157 /nfs/dbraw/zinc/86/91/57/341869157.db2.gz AZDPXYDYYRZROO-TYPHKJRUSA-N 1 0 318.420 4.055 20 30 DIEDRO Cc1cc(C)[nH+]c(NCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000577211520 341897532 /nfs/dbraw/zinc/89/75/32/341897532.db2.gz ANZUCODHOGWEKU-UHFFFAOYSA-N 1 0 305.303 4.201 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCC[C@@H]3F)c2)c1 ZINC000577364604 341905940 /nfs/dbraw/zinc/90/59/40/341905940.db2.gz NJANZJJBYGAUQK-VQTJNVASSA-N 1 0 324.399 4.117 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)s1 ZINC000176958931 341906966 /nfs/dbraw/zinc/90/69/66/341906966.db2.gz GWIWQRYQYPEYEL-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000177703726 341924471 /nfs/dbraw/zinc/92/44/71/341924471.db2.gz ODLNWTAUIGFQIR-BZNIZROVSA-N 1 0 320.845 4.139 20 30 DIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccc(F)cc2O1 ZINC000372781968 517514990 /nfs/dbraw/zinc/51/49/90/517514990.db2.gz FWVYMWUJABZUKB-KRWDZBQOSA-N 1 0 310.372 4.089 20 30 DIEDRO CC[N@H+](Cc1ccccc1NC(C)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000119878445 521383820 /nfs/dbraw/zinc/38/38/20/521383820.db2.gz NIZWNTXMFZCHBK-HNNXBMFYSA-N 1 0 321.424 4.100 20 30 DIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000181270462 521615367 /nfs/dbraw/zinc/61/53/67/521615367.db2.gz DMPTWRFWMAQZEA-KYNGSXCRSA-N 1 0 300.446 4.193 20 30 DIEDRO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000288461262 534589219 /nfs/dbraw/zinc/58/92/19/534589219.db2.gz OBQIYVWKHWCFEM-UHFFFAOYSA-N 1 0 323.440 4.058 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cnn(C(C)C)c21)c1ccc(C#N)cc1 ZINC000365799259 522717492 /nfs/dbraw/zinc/71/74/92/522717492.db2.gz WVIPPAOJCMFRAV-RBUKOAKNSA-N 1 0 322.456 4.454 20 30 DIEDRO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)c2cccc(C#N)c2)o1 ZINC000190035684 523023095 /nfs/dbraw/zinc/02/30/95/523023095.db2.gz FYCJOLNJHIUACM-KBXCAEBGSA-N 1 0 310.397 4.196 20 30 DIEDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000180138269 523294166 /nfs/dbraw/zinc/29/41/66/523294166.db2.gz BLJOEEYQRMOWAM-GJZGRUSLSA-N 1 0 318.424 4.340 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C(C)C)cc1 ZINC000182050067 525202661 /nfs/dbraw/zinc/20/26/61/525202661.db2.gz XLHJMOPRFUHUAU-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000191212921 525332939 /nfs/dbraw/zinc/33/29/39/525332939.db2.gz NATCBFHYKFBTPV-OCBCSQNSSA-N 1 0 313.832 4.037 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C2CC2)cc1 ZINC000181424614 525373390 /nfs/dbraw/zinc/37/33/90/525373390.db2.gz VLYOFDKGRCDLHZ-JLTOFOAXSA-N 1 0 306.409 4.369 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(F)cc2cccnc21)c1ccc(C#N)cc1 ZINC000338376176 525430110 /nfs/dbraw/zinc/43/01/10/525430110.db2.gz JZXQCQNDMJOFEC-ZDUSSCGKSA-N 1 0 305.356 4.096 20 30 DIEDRO C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(C#N)cc1 ZINC000181486324 525472218 /nfs/dbraw/zinc/47/22/18/525472218.db2.gz KMVCELKIAGRMQO-HNNXBMFYSA-N 1 0 321.424 4.125 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)c1ccc(C#N)cc1 ZINC000338376173 525514468 /nfs/dbraw/zinc/51/44/68/525514468.db2.gz JZXQCQNDMJOFEC-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000158085528 525648113 /nfs/dbraw/zinc/64/81/13/525648113.db2.gz MNOIUJDFCRKTQZ-YSGRDPCXSA-N 1 0 306.409 4.129 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccc(C#N)cc1 ZINC000179959927 525677242 /nfs/dbraw/zinc/67/72/42/525677242.db2.gz BOOSTDGETYGJJJ-ACJLOTCBSA-N 1 0 310.372 4.262 20 30 DIEDRO COc1ccc2oc([C@H](C)[NH2+]Cc3ccc(C#N)cc3)c(C)c2c1 ZINC000237323023 525689186 /nfs/dbraw/zinc/68/91/86/525689186.db2.gz WIDIRLUEUNIXQM-AWEZNQCLSA-N 1 0 320.392 4.472 20 30 DIEDRO Cn1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)cc1C#N ZINC000190967526 527222084 /nfs/dbraw/zinc/22/20/84/527222084.db2.gz UDXAWIIJCMHNNL-SFHVURJKSA-N 1 0 313.832 4.181 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000273471129 535907111 /nfs/dbraw/zinc/90/71/11/535907111.db2.gz FUSQQDBBXAFGRV-UONOGXRCSA-N 1 0 320.845 4.047 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000278644195 535940773 /nfs/dbraw/zinc/94/07/73/535940773.db2.gz HTJABMHEKRHDPK-ZWKOTPCHSA-N 1 0 310.372 4.262 20 30 DIEDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000289367385 537022540 /nfs/dbraw/zinc/02/25/40/537022540.db2.gz ZWXOPDLHQHUKFM-PXAZEXFGSA-N 1 0 310.372 4.044 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCCC#N)c1ccc(Br)cc1F ZINC001172485385 1051404654 /nfs/dbraw/zinc/40/46/54/1051404654.db2.gz POMRWLPZACGROJ-WDEREUQCSA-N 1 0 313.214 4.321 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC001172489173 1051416048 /nfs/dbraw/zinc/41/60/48/1051416048.db2.gz ZZXKTTJWJMKEAU-QWRGUYRKSA-N 1 0 313.214 4.321 20 30 DIEDRO COc1ccc(F)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000339406917 1035552255 /nfs/dbraw/zinc/55/22/55/1035552255.db2.gz HWMRLBUCGRIFTI-IBGZPJMESA-N 1 0 312.388 4.359 20 30 DIEDRO COc1cccc(CCC[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000610212977 1035743457 /nfs/dbraw/zinc/74/34/57/1035743457.db2.gz PJMOCJIQFXOEJR-UHFFFAOYSA-N 1 0 322.452 4.410 20 30 DIEDRO C[C@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@H]1c1ccccc1 ZINC000610216082 1035750266 /nfs/dbraw/zinc/75/02/66/1035750266.db2.gz KAJPEXYJHBIFBX-FXAWDEMLSA-N 1 0 320.436 4.063 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000119354705 1035768926 /nfs/dbraw/zinc/76/89/26/1035768926.db2.gz YJCXXLLLTIOUIX-RKDXNWHRSA-N 1 0 307.287 4.115 20 30 DIEDRO C=C[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000119350952 1035770494 /nfs/dbraw/zinc/77/04/94/1035770494.db2.gz YLAXXSHCALPVRA-VXGBXAGGSA-N 1 0 302.443 4.352 20 30 DIEDRO CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000154333085 1035870444 /nfs/dbraw/zinc/87/04/44/1035870444.db2.gz FHOXWCJDJVIPPE-DOMZBBRYSA-N 1 0 311.454 4.305 20 30 DIEDRO N#Cc1ccc(CCC[N@@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC001208863125 1035889740 /nfs/dbraw/zinc/88/97/40/1035889740.db2.gz XLRIFVGLSMEOEU-UHFFFAOYSA-N 1 0 310.828 4.203 20 30 DIEDRO Cc1ccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000179602040 1035903272 /nfs/dbraw/zinc/90/32/72/1035903272.db2.gz FJJIJLLTIYAGJA-UHFFFAOYSA-N 1 0 308.425 4.310 20 30 DIEDRO C[N@H+](CCc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC001208925980 1035944734 /nfs/dbraw/zinc/94/47/34/1035944734.db2.gz BJNDWWDYKHNLRX-UHFFFAOYSA-N 1 0 318.342 4.252 20 30 DIEDRO C=CCC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533502929 1035996455 /nfs/dbraw/zinc/99/64/55/1035996455.db2.gz MYQPUZHKNGFXIK-AWEZNQCLSA-N 1 0 317.820 4.146 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1 ZINC001209156630 1036037145 /nfs/dbraw/zinc/03/71/45/1036037145.db2.gz FTKZVKHKYFRQQJ-IBGZPJMESA-N 1 0 322.493 4.208 20 30 DIEDRO C=CCCCC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001209207014 1036058604 /nfs/dbraw/zinc/05/86/04/1036058604.db2.gz HTRUWYCGGFADJP-UHFFFAOYSA-N 1 0 302.245 4.144 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(Cl)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC001167131231 1036159000 /nfs/dbraw/zinc/15/90/00/1036159000.db2.gz NEQSJXZPXROZBP-AWEZNQCLSA-N 1 0 313.832 4.498 20 30 DIEDRO C=CCCCCC[N@@H+](CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209427428 1036165066 /nfs/dbraw/zinc/16/50/66/1036165066.db2.gz QFITXBXFYZZTHE-UHFFFAOYSA-N 1 0 324.509 4.454 20 30 DIEDRO C=CCCCCC[N@@H+](C[C@H](O)c1ccccc1OC)C(C)C ZINC001209429168 1036166326 /nfs/dbraw/zinc/16/63/26/1036166326.db2.gz VYWYXQBLVRFHKY-SFHVURJKSA-N 1 0 305.462 4.185 20 30 DIEDRO C=CCCCCC[N@@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC001209429166 1036167438 /nfs/dbraw/zinc/16/74/38/1036167438.db2.gz VYWYXQBLVRFHKY-GOSISDBHSA-N 1 0 305.462 4.185 20 30 DIEDRO C=CCCCCC[N@@H+](C)C[C@H]1Cc2cc(OC)c(OC)cc21 ZINC001209432719 1036175206 /nfs/dbraw/zinc/17/52/06/1036175206.db2.gz JGLZTVLQYYTLKW-MRXNPFEDSA-N 1 0 303.446 4.022 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001209438642 1036178994 /nfs/dbraw/zinc/17/89/94/1036178994.db2.gz QTHYADQEYJCTPE-HUUCEWRRSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCCCC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001209442357 1036187274 /nfs/dbraw/zinc/18/72/74/1036187274.db2.gz GQULMEMUNIPNEL-HNNXBMFYSA-N 1 0 307.400 4.150 20 30 DIEDRO C=CCCCCCC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001209441782 1036188525 /nfs/dbraw/zinc/18/85/25/1036188525.db2.gz ZVLSGAXNZQPLFV-OAHLLOKOSA-N 1 0 307.400 4.148 20 30 DIEDRO C=CCCCCCCC[NH+]1CCC(NC(=O)N(CC)CC)CC1 ZINC001209442071 1036189197 /nfs/dbraw/zinc/18/91/97/1036189197.db2.gz OFMMWFVWSVTQIX-UHFFFAOYSA-N 1 0 323.525 4.029 20 30 DIEDRO C=CCCCCCCCC[NH+]1CCC(F)(C(=O)OCC)CC1 ZINC001209443860 1036191249 /nfs/dbraw/zinc/19/12/49/1036191249.db2.gz GRDWKNKJLBQWRP-UHFFFAOYSA-N 1 0 313.457 4.270 20 30 DIEDRO CCC#C[C@H](C)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC001167156879 1036224519 /nfs/dbraw/zinc/22/45/19/1036224519.db2.gz GFHBPCNGJWXYIV-HNNXBMFYSA-N 1 0 310.441 4.158 20 30 DIEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000398185301 1036264745 /nfs/dbraw/zinc/26/47/45/1036264745.db2.gz UWFUGDFPLORGKH-SWLSCSKDSA-N 1 0 301.352 4.073 20 30 DIEDRO CC[N@@H+](CC#Cc1cccc(Cl)c1)CCc1cccs1 ZINC001167206472 1036273315 /nfs/dbraw/zinc/27/33/15/1036273315.db2.gz QLJIZCCRWGQPOH-UHFFFAOYSA-N 1 0 303.858 4.318 20 30 DIEDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000025355558 1036278837 /nfs/dbraw/zinc/27/88/37/1036278837.db2.gz LIHBNYIOESFNRH-QGZVFWFLSA-N 1 0 307.441 4.196 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000237494068 1036381715 /nfs/dbraw/zinc/38/17/15/1036381715.db2.gz ABLHQMHSZZJDRK-INIZCTEOSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000175750744 1036392162 /nfs/dbraw/zinc/39/21/62/1036392162.db2.gz SLMUAZPNRYXJOK-GFCCVEGCSA-N 1 0 320.314 4.308 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000610271329 1036407018 /nfs/dbraw/zinc/40/70/18/1036407018.db2.gz CIWHSHMKEOHURW-CEXWTWQISA-N 1 0 312.457 4.428 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CCCC2)o1 ZINC000237843753 1036414874 /nfs/dbraw/zinc/41/48/74/1036414874.db2.gz LFGBQKWMHKBEHW-UHFFFAOYSA-N 1 0 314.816 4.406 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)s1 ZINC000176960490 1036521144 /nfs/dbraw/zinc/52/11/44/1036521144.db2.gz FXXWHAMNJIMYLL-UHFFFAOYSA-N 1 0 300.402 4.318 20 30 DIEDRO CC[N@H+](Cc1nc2cc(F)ccc2o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000176979060 1036524350 /nfs/dbraw/zinc/52/43/50/1036524350.db2.gz DKGYMZCGNHLRKL-ZDUSSCGKSA-N 1 0 323.371 4.422 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)c2nccn2C)C1 ZINC000651962681 1036570585 /nfs/dbraw/zinc/57/05/85/1036570585.db2.gz LQHHFDLGVQYSKI-BHIYHBOVSA-N 1 0 309.457 4.038 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(NC(=O)CCC)cc2)C1 ZINC001648817113 1036577988 /nfs/dbraw/zinc/57/79/88/1036577988.db2.gz VHMBAZCXFSXAJT-YJBOKZPZSA-N 1 0 300.446 4.260 20 30 DIEDRO COCC[N@H+](CCC1CCCCCC1)Cc1ccc(C#N)cc1 ZINC001167315154 1036668485 /nfs/dbraw/zinc/66/84/85/1036668485.db2.gz UIAMEJAZUDFRGO-UHFFFAOYSA-N 1 0 314.473 4.367 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)COc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000447541964 1036774555 /nfs/dbraw/zinc/77/45/55/1036774555.db2.gz HSNIZOLHKOISQB-AUUYWEPGSA-N 1 0 312.388 4.206 20 30 DIEDRO C=CCCCCC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000580026447 1036774675 /nfs/dbraw/zinc/77/46/75/1036774675.db2.gz MHIVXUJOYLXNTA-OAHLLOKOSA-N 1 0 301.352 4.075 20 30 DIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC001167331946 1036779505 /nfs/dbraw/zinc/77/95/05/1036779505.db2.gz DEGVWROAQPLSPK-OAQYLSRUSA-N 1 0 304.437 4.055 20 30 DIEDRO C=C(CC)C[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000539094805 1036829529 /nfs/dbraw/zinc/82/95/29/1036829529.db2.gz ODCJBKOJGSTKCQ-UHFFFAOYSA-N 1 0 311.372 4.227 20 30 DIEDRO N#Cc1csc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC000177693154 1036903320 /nfs/dbraw/zinc/90/33/20/1036903320.db2.gz OYPCJZZKBJXMSF-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1 ZINC001167358366 1036967539 /nfs/dbraw/zinc/96/75/39/1036967539.db2.gz ZWPVHKDMINRITM-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1cccc(C#N)c1F ZINC001167368325 1036997415 /nfs/dbraw/zinc/99/74/15/1036997415.db2.gz XVXYHAKYMBDULB-UHFFFAOYSA-N 1 0 314.379 4.291 20 30 DIEDRO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC001167387357 1037092604 /nfs/dbraw/zinc/09/26/04/1037092604.db2.gz RMVROWJGSSDEGU-QGZVFWFLSA-N 1 0 324.472 4.397 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)CC1CCCCC1 ZINC001167392253 1037107527 /nfs/dbraw/zinc/10/75/27/1037107527.db2.gz RRRSWJHUKWTTMT-UHFFFAOYSA-N 1 0 318.436 4.223 20 30 DIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccs1 ZINC000177821456 1037307852 /nfs/dbraw/zinc/30/78/52/1037307852.db2.gz OHOBETGRMCVOIT-CYBMUJFWSA-N 1 0 302.468 4.204 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c(F)c1 ZINC000177860851 1037352980 /nfs/dbraw/zinc/35/29/80/1037352980.db2.gz WRUFUNIIMKXPTP-KRWDZBQOSA-N 1 0 300.764 4.128 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000580951727 1037380847 /nfs/dbraw/zinc/38/08/47/1037380847.db2.gz KHVXTAXAQSXADG-IPHXSNPTSA-N 1 0 320.436 4.043 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCS2 ZINC000276096400 1037514037 /nfs/dbraw/zinc/51/40/37/1037514037.db2.gz DSWXIJYQQRSZEK-FZKQIMNGSA-N 1 0 324.449 4.455 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC001167454451 1037531284 /nfs/dbraw/zinc/53/12/84/1037531284.db2.gz WPMOTPAESNBXDG-GOSISDBHSA-N 1 0 300.446 4.358 20 30 DIEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000684207556 1037559505 /nfs/dbraw/zinc/55/95/05/1037559505.db2.gz VOXDKONOTPUHRC-UXHICEINSA-N 1 0 317.473 4.292 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001167465179 1037670422 /nfs/dbraw/zinc/67/04/22/1037670422.db2.gz VUMXUPKRRWDXFW-IEBWSBKVSA-N 1 0 307.412 4.364 20 30 DIEDRO C=CCC[N@@H+](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000276366537 1037750206 /nfs/dbraw/zinc/75/02/06/1037750206.db2.gz GHUAZZSTVXKQOA-UHFFFAOYSA-N 1 0 302.462 4.380 20 30 DIEDRO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(CC#N)cc3)oc21 ZINC000581693845 1037918297 /nfs/dbraw/zinc/91/82/97/1037918297.db2.gz RNERZNGANQWCCA-CQSZACIVSA-N 1 0 320.392 4.358 20 30 DIEDRO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCCC1 ZINC000078574005 1037932326 /nfs/dbraw/zinc/93/23/26/1037932326.db2.gz WRIAJPYJAYOVJU-UHFFFAOYSA-N 1 0 323.440 4.002 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000602455136 1038005674 /nfs/dbraw/zinc/00/56/74/1038005674.db2.gz VLPFLHCOOGJDSF-NZSAHSFTSA-N 1 0 300.446 4.026 20 30 DIEDRO CC[N@@H+]([C@H](C)c1cnc(C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000602442952 1038006701 /nfs/dbraw/zinc/00/67/01/1038006701.db2.gz CYYDKXDDXFTMGB-LSDHHAIUSA-N 1 0 308.429 4.109 20 30 DIEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@H](C)CCC#N ZINC000602456309 1038007772 /nfs/dbraw/zinc/00/77/72/1038007772.db2.gz WSPWQNZOLXOSSS-OAHLLOKOSA-N 1 0 324.472 4.169 20 30 DIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602443393 1038008092 /nfs/dbraw/zinc/00/80/92/1038008092.db2.gz USRJCJZXJNWPJB-GFCCVEGCSA-N 1 0 319.330 4.165 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000602448370 1038009877 /nfs/dbraw/zinc/00/98/77/1038009877.db2.gz GAZXEWCNLKHRBY-YJBOKZPZSA-N 1 0 310.445 4.040 20 30 DIEDRO Cc1ccc(C)c(OC2CC[NH+](C[C@H](C)CCC#N)CC2)c1 ZINC000602447228 1038009937 /nfs/dbraw/zinc/00/99/37/1038009937.db2.gz CEBWJKOWXLFBEZ-MRXNPFEDSA-N 1 0 300.446 4.087 20 30 DIEDRO C[C@H](CCC#N)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000602448071 1038010776 /nfs/dbraw/zinc/01/07/76/1038010776.db2.gz ROZZZLUDCSTQDV-CQSZACIVSA-N 1 0 311.404 4.336 20 30 DIEDRO C[C@H](CCC#N)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000602456154 1038011649 /nfs/dbraw/zinc/01/16/49/1038011649.db2.gz VFJPRNPIHWBRDN-MRXNPFEDSA-N 1 0 311.429 4.146 20 30 DIEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000602482835 1038015763 /nfs/dbraw/zinc/01/57/63/1038015763.db2.gz GUYYDWNDLKSNPE-GJZGRUSLSA-N 1 0 317.502 4.141 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000602517637 1038025099 /nfs/dbraw/zinc/02/50/99/1038025099.db2.gz ICEMHRMJOFCKEM-IRXDYDNUSA-N 1 0 323.440 4.251 20 30 DIEDRO CC(C)Oc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602517828 1038026367 /nfs/dbraw/zinc/02/63/67/1038026367.db2.gz JGOYRERDMAFQTM-IRXDYDNUSA-N 1 0 302.462 4.324 20 30 DIEDRO CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CCC#N)cc1OC ZINC000602515078 1038026468 /nfs/dbraw/zinc/02/64/68/1038026468.db2.gz TXDMZBYQSFMCMY-HUUCEWRRSA-N 1 0 304.434 4.074 20 30 DIEDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602517827 1038026651 /nfs/dbraw/zinc/02/66/51/1038026651.db2.gz JGOYRERDMAFQTM-IAGOWNOFSA-N 1 0 302.462 4.324 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000602522429 1038028503 /nfs/dbraw/zinc/02/85/03/1038028503.db2.gz UKQXSAIRJIFVPJ-AWEZNQCLSA-N 1 0 313.376 4.042 20 30 DIEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000602511869 1038031696 /nfs/dbraw/zinc/03/16/96/1038031696.db2.gz RXFYGWFEIZPOFO-QAPCUYQASA-N 1 0 319.880 4.006 20 30 DIEDRO CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000581853851 1038031903 /nfs/dbraw/zinc/03/19/03/1038031903.db2.gz YWCJEUXSFURRBN-QAPCUYQASA-N 1 0 311.454 4.064 20 30 DIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602529443 1038033215 /nfs/dbraw/zinc/03/32/15/1038033215.db2.gz PMTAKWVZNMWJLR-GDBMZVCRSA-N 1 0 319.880 4.004 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000602544276 1038033513 /nfs/dbraw/zinc/03/35/13/1038033513.db2.gz HGFLHJWQENXVNC-GHMZBOCLSA-N 1 0 313.214 4.179 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000602548629 1038034274 /nfs/dbraw/zinc/03/42/74/1038034274.db2.gz UKPKIHHYCDLQOD-ZDUSSCGKSA-N 1 0 321.262 4.010 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000602525973 1038034893 /nfs/dbraw/zinc/03/48/93/1038034893.db2.gz NKWGKHFDZOVUFF-OLZOCXBDSA-N 1 0 314.351 4.002 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000178176236 1038035176 /nfs/dbraw/zinc/03/51/76/1038035176.db2.gz HZSVEMCWLJFLIT-CABCVRRESA-N 1 0 324.424 4.296 20 30 DIEDRO COc1cccc(C[NH2+]C[C@H](C)CCC#N)c1OC1CCCC1 ZINC000602561350 1038037319 /nfs/dbraw/zinc/03/73/19/1038037319.db2.gz DPFQTAMSEVTAIY-OAHLLOKOSA-N 1 0 316.445 4.046 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000602557128 1038038551 /nfs/dbraw/zinc/03/85/51/1038038551.db2.gz WEERHNVMYLNRHS-ZDUSSCGKSA-N 1 0 321.262 4.010 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(-c2cccnc2)cc1 ZINC000602574382 1038040200 /nfs/dbraw/zinc/04/02/00/1038040200.db2.gz ZSBOVSBWZDSMPV-SHPPYHEDSA-N 1 0 305.425 4.482 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000178177118 1038040423 /nfs/dbraw/zinc/04/04/23/1038040423.db2.gz KEAXDJWCAUJGCD-RDTXWAMCSA-N 1 0 322.408 4.131 20 30 DIEDRO CCOC1CC(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000602598112 1038044855 /nfs/dbraw/zinc/04/48/55/1038044855.db2.gz BNXXVJPLRLEVEI-UHFFFAOYSA-N 1 0 320.436 4.130 20 30 DIEDRO C=CC[N@@H+](C)CCCC(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000121474775 1038046572 /nfs/dbraw/zinc/04/65/72/1038046572.db2.gz QDQAZQCQWGHOCK-UHFFFAOYSA-N 1 0 322.880 4.301 20 30 DIEDRO Cc1cccc([C@H]([NH2+]C2CCC(C#N)CC2)c2ccccn2)c1 ZINC000602582327 1038046873 /nfs/dbraw/zinc/04/68/73/1038046873.db2.gz WKKGLIKEDIERPM-NLPFYKDJSA-N 1 0 305.425 4.151 20 30 DIEDRO CCc1ccc(-c2noc([C@@H](C)[NH2+]C3CCC(C#N)CC3)n2)cc1 ZINC000602649798 1038054972 /nfs/dbraw/zinc/05/49/72/1038054972.db2.gz ZKOOZVFVKFYMEQ-BZOOQXSSSA-N 1 0 324.428 4.032 20 30 DIEDRO COCCCC[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602647399 1038055931 /nfs/dbraw/zinc/05/59/31/1038055931.db2.gz IHCYGPXOMGJZPB-NKELODKYSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000602671025 1038057585 /nfs/dbraw/zinc/05/75/85/1038057585.db2.gz HGFLHJWQENXVNC-QWRGUYRKSA-N 1 0 313.214 4.179 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]C1(Cc2ccccc2Br)CC1 ZINC000602671259 1038059426 /nfs/dbraw/zinc/05/94/26/1038059426.db2.gz DNQRWNRSQXWEGD-ZDUSSCGKSA-N 1 0 321.262 4.054 20 30 DIEDRO COc1cc(C[C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)ccn1 ZINC000602669588 1038063330 /nfs/dbraw/zinc/06/33/30/1038063330.db2.gz KKIOGQJFRZWSFR-APWZRJJASA-N 1 0 323.440 4.046 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000602691881 1038067194 /nfs/dbraw/zinc/06/71/94/1038067194.db2.gz VDDRKNGEXCBMEV-GOEBONIOSA-N 1 0 311.816 4.033 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c2ccccc12 ZINC000602692560 1038067848 /nfs/dbraw/zinc/06/78/48/1038067848.db2.gz AXIJEHKBUYDVEF-KRWDZBQOSA-N 1 0 322.452 4.337 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602680609 1038069245 /nfs/dbraw/zinc/06/92/45/1038069245.db2.gz PTTIPWYXSVCDIQ-WBKMXMRLSA-N 1 0 323.484 4.026 20 30 DIEDRO N#CC1(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000602699129 1038071327 /nfs/dbraw/zinc/07/13/27/1038071327.db2.gz JGAMFBGLRNQARO-UYAOXDASSA-N 1 0 323.484 4.028 20 30 DIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000602726338 1038080633 /nfs/dbraw/zinc/08/06/33/1038080633.db2.gz PULOEMGTQWRSTC-GUYCJALGSA-N 1 0 318.848 4.016 20 30 DIEDRO CC[N@H+](Cc1cccc2c1CCOC2)[C@H](C)c1ccc(C#N)cc1 ZINC000602763479 1038081789 /nfs/dbraw/zinc/08/17/89/1038081789.db2.gz LBJYMGNHIVQHSV-MRXNPFEDSA-N 1 0 320.436 4.214 20 30 DIEDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908654 1038105511 /nfs/dbraw/zinc/10/55/11/1038105511.db2.gz FUEUFGYZTUFVMV-AWEZNQCLSA-N 1 0 309.388 4.033 20 30 DIEDRO CSc1cccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602904978 1038109332 /nfs/dbraw/zinc/10/93/32/1038109332.db2.gz BWPVBOWPEAAUEI-UHFFFAOYSA-N 1 0 323.465 4.055 20 30 DIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602954035 1038116362 /nfs/dbraw/zinc/11/63/62/1038116362.db2.gz GNBBONTWHJLMOC-AWEZNQCLSA-N 1 0 311.454 4.030 20 30 DIEDRO CC(C)c1ccc(C[N@H+](C[C@@H](O)CC(C)(C)C#N)C2CC2)cc1 ZINC000598584986 1038126516 /nfs/dbraw/zinc/12/65/16/1038126516.db2.gz MEFOTZMZRGCYKI-IBGZPJMESA-N 1 0 314.473 4.075 20 30 DIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC000598600848 1038126619 /nfs/dbraw/zinc/12/66/19/1038126619.db2.gz GQAMBDXLRCPVIT-OALUTQOASA-N 1 0 314.473 4.198 20 30 DIEDRO CC(C)[N@H+](Cc1cc2cnccc2o1)Cc1ccc(C#N)cc1 ZINC000593567523 1038126968 /nfs/dbraw/zinc/12/69/68/1038126968.db2.gz RSPJPHFWFPLYQM-UHFFFAOYSA-N 1 0 305.381 4.110 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001168413549 1038127033 /nfs/dbraw/zinc/12/70/33/1038127033.db2.gz KOJMOQHSSIIXBX-OAQYLSRUSA-N 1 0 312.501 4.479 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000598587979 1038129600 /nfs/dbraw/zinc/12/96/00/1038129600.db2.gz YGNGBLKGMQHJTQ-YLJYHZDGSA-N 1 0 322.452 4.277 20 30 DIEDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000603028185 1038130267 /nfs/dbraw/zinc/13/02/67/1038130267.db2.gz ATGKXDQUVRRBIU-GOSISDBHSA-N 1 0 304.478 4.132 20 30 DIEDRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598599826 1038131331 /nfs/dbraw/zinc/13/13/31/1038131331.db2.gz FYJMUFPQQMFBPA-ZWKOTPCHSA-N 1 0 302.462 4.054 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000341596905 1038167653 /nfs/dbraw/zinc/16/76/53/1038167653.db2.gz NASXXYLZKJYIEH-DYVFJYSZSA-N 1 0 316.470 4.096 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000598975452 1038206928 /nfs/dbraw/zinc/20/69/28/1038206928.db2.gz OHUQYJIEDPKHLY-CQSZACIVSA-N 1 0 322.355 4.416 20 30 DIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000598996379 1038213395 /nfs/dbraw/zinc/21/33/95/1038213395.db2.gz HMRICCXRMKYGOE-WKILWMFISA-N 1 0 306.475 4.083 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccccc2CC(F)(F)F)ccc1C#N ZINC000599018361 1038221368 /nfs/dbraw/zinc/22/13/68/1038221368.db2.gz WLNIZHZNBMMGOQ-UHFFFAOYSA-N 1 0 318.342 4.261 20 30 DIEDRO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000599049488 1038222166 /nfs/dbraw/zinc/22/21/66/1038222166.db2.gz YQEWVTZUIRDGRT-IPYPFGDCSA-N 1 0 321.262 4.491 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(-c2ccccc2)n(C)n1 ZINC000599045989 1038223741 /nfs/dbraw/zinc/22/37/41/1038223741.db2.gz FUUNGOHTRVYVEG-HNNXBMFYSA-N 1 0 310.445 4.068 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1C(F)(F)F ZINC000599050819 1038230167 /nfs/dbraw/zinc/23/01/67/1038230167.db2.gz DHPQAUGKVQVFCJ-JBLDHEPKSA-N 1 0 300.299 4.187 20 30 DIEDRO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000599053261 1038230398 /nfs/dbraw/zinc/23/03/98/1038230398.db2.gz RQVKKDIQWGTTQH-MBNYWOFBSA-N 1 0 307.235 4.100 20 30 DIEDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)nc1 ZINC000599071885 1038231824 /nfs/dbraw/zinc/23/18/24/1038231824.db2.gz VFGKQSODGJQMHK-AWEZNQCLSA-N 1 0 311.404 4.029 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(C#N)c2)c2cc(F)ccc2O1 ZINC000593673808 1038236415 /nfs/dbraw/zinc/23/64/15/1038236415.db2.gz KTOSMEDLUNQBPD-QGZVFWFLSA-N 1 0 310.372 4.089 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)CC2 ZINC000599087072 1038236518 /nfs/dbraw/zinc/23/65/18/1038236518.db2.gz ZKBNRGGVJZKYKI-OAHLLOKOSA-N 1 0 308.347 4.258 20 30 DIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)s2)c2cc(F)ccc2O1 ZINC000593674386 1038237264 /nfs/dbraw/zinc/23/72/64/1038237264.db2.gz RHTLHGWXEUKCSV-OAHLLOKOSA-N 1 0 316.401 4.151 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)CC2 ZINC000599088676 1038237879 /nfs/dbraw/zinc/23/78/79/1038237879.db2.gz SHVJKYBRHZWMNI-CQSZACIVSA-N 1 0 322.355 4.416 20 30 DIEDRO C[N@H+](CCSc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000603581047 1038249998 /nfs/dbraw/zinc/24/99/98/1038249998.db2.gz AIWYBOCPPXWGCM-UHFFFAOYSA-N 1 0 316.857 4.436 20 30 DIEDRO CCCC[C@@H](CC)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593701932 1038257112 /nfs/dbraw/zinc/25/71/12/1038257112.db2.gz HYUIRAKCOYKSMC-LJQANCHMSA-N 1 0 313.489 4.081 20 30 DIEDRO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341757806 1038260488 /nfs/dbraw/zinc/26/04/88/1038260488.db2.gz LNSKLXRFIIDDAI-MGPUTAFESA-N 1 0 320.436 4.165 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000341756050 1038260578 /nfs/dbraw/zinc/26/05/78/1038260578.db2.gz BSPIOOTVLLDMMM-SCLBCKFNSA-N 1 0 320.392 4.015 20 30 DIEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1F ZINC000593718462 1038262332 /nfs/dbraw/zinc/26/23/32/1038262332.db2.gz HOZYRXRNQUCBOD-VHFSOBRXSA-N 1 0 324.399 4.268 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)F)cc1C#N ZINC000599350985 1038271417 /nfs/dbraw/zinc/27/14/17/1038271417.db2.gz UCOXNFCUAQXPNS-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1C#N ZINC000599349268 1038271442 /nfs/dbraw/zinc/27/14/42/1038271442.db2.gz NZTGGKXIXSKMDY-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1cc(F)ccc1F ZINC000599356967 1038272576 /nfs/dbraw/zinc/27/25/76/1038272576.db2.gz PLDIUXSERYDSFV-SFHVURJKSA-N 1 0 300.352 4.386 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1C#N ZINC000599355345 1038273321 /nfs/dbraw/zinc/27/33/21/1038273321.db2.gz ZCDBASCNTGPTIS-RXVVDRJESA-N 1 0 320.436 4.124 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)c(C)c1OC ZINC000599418865 1038279284 /nfs/dbraw/zinc/27/92/84/1038279284.db2.gz BRXWTXVJFCKGNG-HNNXBMFYSA-N 1 0 324.424 4.043 20 30 DIEDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000603837060 1038293259 /nfs/dbraw/zinc/29/32/59/1038293259.db2.gz VFGUVDVNBBKBBO-OAHLLOKOSA-N 1 0 320.392 4.376 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341875790 1038305026 /nfs/dbraw/zinc/30/50/26/1038305026.db2.gz KHSYDTWHFBKGIN-JKSUJKDBSA-N 1 0 323.440 4.339 20 30 DIEDRO C[NH+](C)[C@@H](CNc1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000603871582 1038309247 /nfs/dbraw/zinc/30/92/47/1038309247.db2.gz HGHQCTNUPCDSNF-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cc(F)c(Br)cc1F ZINC000599542503 1038310231 /nfs/dbraw/zinc/31/02/31/1038310231.db2.gz UPSRFAVQJCLVGY-DTWKUNHWSA-N 1 0 317.177 4.070 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000535723372 1038319946 /nfs/dbraw/zinc/31/99/46/1038319946.db2.gz KVSSRANEIUNZQN-HZPDHXFCSA-N 1 0 302.462 4.425 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000535723373 1038320317 /nfs/dbraw/zinc/32/03/17/1038320317.db2.gz KVSSRANEIUNZQN-JKSUJKDBSA-N 1 0 302.462 4.425 20 30 DIEDRO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCCCC#N ZINC000599653332 1038332113 /nfs/dbraw/zinc/33/21/13/1038332113.db2.gz UWVHTLPHSASCIQ-ZFWWWQNUSA-N 1 0 321.262 4.321 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)o1 ZINC000535781659 1038332552 /nfs/dbraw/zinc/33/25/52/1038332552.db2.gz UUULZVZCOBGVPU-CYBMUJFWSA-N 1 0 323.421 4.141 20 30 DIEDRO Cc1ccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)o1 ZINC000535784785 1038335743 /nfs/dbraw/zinc/33/57/43/1038335743.db2.gz JVPLVZYWRKIIAS-UHFFFAOYSA-N 1 0 308.425 4.124 20 30 DIEDRO COC[C@H](C)[N@H+](CCCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000599681168 1038337779 /nfs/dbraw/zinc/33/77/79/1038337779.db2.gz DCKDQRMZMQEKNO-LPHOPBHVSA-N 1 0 314.473 4.341 20 30 DIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000604013341 1038342838 /nfs/dbraw/zinc/34/28/38/1038342838.db2.gz BRDNTPZQHBFXMK-HXUWFJFHSA-N 1 0 306.409 4.083 20 30 DIEDRO C[N@H+](CCCC#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000341910331 1038349048 /nfs/dbraw/zinc/34/90/48/1038349048.db2.gz APWQIIUNXOINOY-UHFFFAOYSA-N 1 0 324.268 4.460 20 30 DIEDRO C=C(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000610805476 1038352393 /nfs/dbraw/zinc/35/23/93/1038352393.db2.gz CWSSBYPQPYXXHD-LJQANCHMSA-N 1 0 322.408 4.219 20 30 DIEDRO Cc1cccc(C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C2CC2)c1 ZINC000610812801 1038356934 /nfs/dbraw/zinc/35/69/34/1038356934.db2.gz SAMHHGIBSOTNSH-HXUWFJFHSA-N 1 0 308.400 4.117 20 30 DIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000610830458 1038372705 /nfs/dbraw/zinc/37/27/05/1038372705.db2.gz VMSNCUQGDMAVCS-BZUAXINKSA-N 1 0 308.425 4.410 20 30 DIEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610830077 1038372882 /nfs/dbraw/zinc/37/28/82/1038372882.db2.gz CKUIRUPIDADAOH-CABCVRRESA-N 1 0 323.396 4.138 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000610830369 1038373359 /nfs/dbraw/zinc/37/33/59/1038373359.db2.gz OLSBFGSZJJVIPM-XOBRGWDASA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)c1cccc(C#N)c1 ZINC000610830543 1038373437 /nfs/dbraw/zinc/37/34/37/1038373437.db2.gz ZWCWUCDMLUXYPX-KGLIPLIRSA-N 1 0 311.404 4.175 20 30 DIEDRO Cc1ccc(C[N@@H+](CCOc2cccc(C#N)c2)C(C)C)s1 ZINC000065162302 1038375580 /nfs/dbraw/zinc/37/55/80/1038375580.db2.gz PLGKHQUENXMXGZ-UHFFFAOYSA-N 1 0 314.454 4.218 20 30 DIEDRO COc1ccc(C[NH2+]C(C(C)C)C(C)C)cc1OCCCC#N ZINC000610898799 1038390161 /nfs/dbraw/zinc/39/01/61/1038390161.db2.gz GSDBAYKYTAPRFH-UHFFFAOYSA-N 1 0 318.461 4.148 20 30 DIEDRO COc1cccc(C[N@@H+](Cc2ccccc2C#N)CC(C)C)c1 ZINC000604494705 1038420427 /nfs/dbraw/zinc/42/04/27/1038420427.db2.gz WVYGCAUVDCSUHM-UHFFFAOYSA-N 1 0 308.425 4.225 20 30 DIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(C)cc(C)cc1C ZINC000604493447 1038420675 /nfs/dbraw/zinc/42/06/75/1038420675.db2.gz RKMWNIRRRLVPBG-UHFFFAOYSA-N 1 0 322.452 4.132 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1ccnc(C#N)c1 ZINC000610993760 1038421125 /nfs/dbraw/zinc/42/11/25/1038421125.db2.gz HPUQKCIUZBCATC-HXUWFJFHSA-N 1 0 307.441 4.105 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610993843 1038421804 /nfs/dbraw/zinc/42/18/04/1038421804.db2.gz KHFDWKGRRZPYDV-VQTJNVASSA-N 1 0 305.425 4.030 20 30 DIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccnc(C#N)c2)c1C ZINC000610993740 1038422480 /nfs/dbraw/zinc/42/24/80/1038422480.db2.gz FXVWPARTUASGDD-FQEVSTJZSA-N 1 0 305.425 4.297 20 30 DIEDRO C=CC[NH+]1CCC(NC(=O)N(CCCC)[C@H](C)CCCC)CC1 ZINC000458348813 1038426407 /nfs/dbraw/zinc/42/64/07/1038426407.db2.gz ZQGHIRUYRKBQGY-QGZVFWFLSA-N 1 0 323.525 4.027 20 30 DIEDRO CC(C)c1ccc(C[N@H+](Cc2ccnc(C#N)c2)C2CC2)cc1 ZINC000610995373 1038426417 /nfs/dbraw/zinc/42/64/17/1038426417.db2.gz ZFBOKESMSUVTAX-UHFFFAOYSA-N 1 0 305.425 4.241 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)ccn1 ZINC000610995581 1038426441 /nfs/dbraw/zinc/42/64/41/1038426441.db2.gz LOLNQUMMPXNFDQ-LJQANCHMSA-N 1 0 319.452 4.188 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000171563543 1038440903 /nfs/dbraw/zinc/44/09/03/1038440903.db2.gz GXQRHOOIRBJTSD-MRXNPFEDSA-N 1 0 306.409 4.146 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC001167499552 1038453943 /nfs/dbraw/zinc/45/39/43/1038453943.db2.gz KXKOMNKDZHAVJH-OXJNMPFZSA-N 1 0 320.436 4.192 20 30 DIEDRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC1(CC#N)CC1 ZINC000342153902 1038457609 /nfs/dbraw/zinc/45/76/09/1038457609.db2.gz BUXABFOTFGLFQR-LCYFTJDESA-N 1 0 308.347 4.392 20 30 DIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)s1 ZINC000538395101 1038468868 /nfs/dbraw/zinc/46/88/68/1038468868.db2.gz YNDNAXPDGUJLAE-UHFFFAOYSA-N 1 0 316.857 4.485 20 30 DIEDRO C=CCCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000472041694 1038485240 /nfs/dbraw/zinc/48/52/40/1038485240.db2.gz ACNQRNWZBKNBMW-UHFFFAOYSA-N 1 0 317.414 4.164 20 30 DIEDRO C=CCCC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000605150877 1038494121 /nfs/dbraw/zinc/49/41/21/1038494121.db2.gz VMQAEWFMGKXVFT-UHFFFAOYSA-N 1 0 302.245 4.144 20 30 DIEDRO Cc1ccc2ncc(/C=C\C(=O)c3coc4ccccc34)n2c1 ZINC000255471619 1038537997 /nfs/dbraw/zinc/53/79/97/1038537997.db2.gz SXTFRJYTLANJHC-FPLPWBNLSA-N 1 0 302.333 4.285 20 30 DIEDRO CCc1nc2c(s1)[C@H](N(C)Cc1csc(C#N)c1)CCC2 ZINC000892142265 1038544891 /nfs/dbraw/zinc/54/48/91/1038544891.db2.gz ZPHGIBMJCAEKCZ-CQSZACIVSA-N 1 0 317.483 4.148 20 30 DIEDRO C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1cccc(C#N)c1 ZINC000539500321 1038571612 /nfs/dbraw/zinc/57/16/12/1038571612.db2.gz ZUIDYXJBUHNDBP-CYBMUJFWSA-N 1 0 316.351 4.053 20 30 DIEDRO CCC[N@H+](CCc1noc2ccccc21)Cc1ccc(C#N)cc1 ZINC000593945616 1038573117 /nfs/dbraw/zinc/57/31/17/1038573117.db2.gz ULJBBSZQCUOXMD-UHFFFAOYSA-N 1 0 319.408 4.154 20 30 DIEDRO Cc1cccnc1[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000934288021 1038578893 /nfs/dbraw/zinc/57/88/93/1038578893.db2.gz IHMQUQQWCFAOMI-SFHVURJKSA-N 1 0 311.404 4.278 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(Br)c(C)n1)C1CCCCC1 ZINC001232670850 1038619112 /nfs/dbraw/zinc/61/91/12/1038619112.db2.gz KNVQIZLFHHIDPF-UHFFFAOYSA-N 1 0 323.278 4.473 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCCCC3CCOCC3)CCC2)cc1 ZINC000594033206 1038623773 /nfs/dbraw/zinc/62/37/73/1038623773.db2.gz KDTCYPQCGZNIDW-UHFFFAOYSA-N 1 0 312.457 4.124 20 30 DIEDRO N#Cc1ccc(C2([NH2+]Cc3sccc3Cl)CCC2)cc1 ZINC000594033673 1038628433 /nfs/dbraw/zinc/62/84/33/1038628433.db2.gz XPYRLNQONXYRBR-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000606902250 1038638488 /nfs/dbraw/zinc/63/84/88/1038638488.db2.gz IWUJHMKQIYRFHJ-UHFFFAOYSA-N 1 0 308.853 4.265 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000606902263 1038638623 /nfs/dbraw/zinc/63/86/23/1038638623.db2.gz NGURZXTWYFRMPS-UHFFFAOYSA-N 1 0 301.409 4.190 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000606902602 1038638811 /nfs/dbraw/zinc/63/88/11/1038638811.db2.gz DOAKMSMLTLMAOD-UHFFFAOYSA-N 1 0 302.462 4.427 20 30 DIEDRO N#CCc1ccc(CN2CCc3sc(Cl)cc3C2)cc1 ZINC000582357952 1038639123 /nfs/dbraw/zinc/63/91/23/1038639123.db2.gz XASAAAIAFAFJDF-UHFFFAOYSA-N 1 0 302.830 4.026 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)CC2 ZINC000582389757 1038651079 /nfs/dbraw/zinc/65/10/79/1038651079.db2.gz BAGOPIJFMHJYNR-QHAWAJNXSA-N 1 0 318.420 4.055 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc2cccnc21 ZINC000063300349 1038692406 /nfs/dbraw/zinc/69/24/06/1038692406.db2.gz UPHJYXSYCSFBJE-UHFFFAOYSA-N 1 0 313.404 4.295 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000607749968 1038722774 /nfs/dbraw/zinc/72/27/74/1038722774.db2.gz ACEDDFSJBWVYEK-LJQANCHMSA-N 1 0 309.409 4.207 20 30 DIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1OC(C)C ZINC000075755670 1038759821 /nfs/dbraw/zinc/75/98/21/1038759821.db2.gz GWMRSHPXTVDOPO-OAHLLOKOSA-N 1 0 324.424 4.205 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000657528980 1038765464 /nfs/dbraw/zinc/76/54/64/1038765464.db2.gz OLHAZODANIXAEU-GOEBONIOSA-N 1 0 313.470 4.430 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C(C)C)cc1 ZINC000174249130 1038910271 /nfs/dbraw/zinc/91/02/71/1038910271.db2.gz UEYWAIKSDOTUMP-FQEVSTJZSA-N 1 0 324.424 4.062 20 30 DIEDRO C=CCC1([NH2+]Cc2cnc(-c3cccs3)s2)CCOCC1 ZINC000657633649 1038931434 /nfs/dbraw/zinc/93/14/34/1038931434.db2.gz UVPFVTPSLYQOJL-UHFFFAOYSA-N 1 0 320.483 4.087 20 30 DIEDRO C=CCC1([NH2+]Cc2ncc(-c3ccccc3)s2)CCOCC1 ZINC000657633778 1038932208 /nfs/dbraw/zinc/93/22/08/1038932208.db2.gz WRJWDMPQJBDMFR-UHFFFAOYSA-N 1 0 314.454 4.025 20 30 DIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)cc1C#N ZINC000174408922 1038935265 /nfs/dbraw/zinc/93/52/65/1038935265.db2.gz FNAGQAHAHNPSHN-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000174430296 1038939280 /nfs/dbraw/zinc/93/92/80/1038939280.db2.gz KGNSESCGONGFAV-INIZCTEOSA-N 1 0 307.441 4.255 20 30 DIEDRO C[C@H]1C[C@H](C)C[NH+](CCSc2cccc(Cl)c2C#N)C1 ZINC001307324811 1038940714 /nfs/dbraw/zinc/94/07/14/1038940714.db2.gz ZVBQELDVNWOKEV-STQMWFEESA-N 1 0 308.878 4.282 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2oc3ccccc3c2C)cc1 ZINC000237604550 1038948640 /nfs/dbraw/zinc/94/86/40/1038948640.db2.gz WFFCTWGOCDQLOT-UHFFFAOYSA-N 1 0 319.404 4.433 20 30 DIEDRO Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1C#N ZINC001167622136 1038953208 /nfs/dbraw/zinc/95/32/08/1038953208.db2.gz VKKXERVUCRIVCF-FXAWDEMLSA-N 1 0 304.437 4.320 20 30 DIEDRO C#CCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000174610054 1038959678 /nfs/dbraw/zinc/95/96/78/1038959678.db2.gz SQQYYLQRPFFAQO-UHFFFAOYSA-N 1 0 318.760 4.011 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000237644968 1038962712 /nfs/dbraw/zinc/96/27/12/1038962712.db2.gz ABWOAAUEMFRESM-NRFANRHFSA-N 1 0 305.421 4.248 20 30 DIEDRO CCCCCCCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728530072 1038985116 /nfs/dbraw/zinc/98/51/16/1038985116.db2.gz CNIKHWFVOAEGPQ-IBGZPJMESA-N 1 0 322.537 4.462 20 30 DIEDRO C=CCC1([NH2+]Cc2cnc(-c3ccccc3OC)nc2)CCCC1 ZINC000657703449 1039037643 /nfs/dbraw/zinc/03/76/43/1039037643.db2.gz YOTNQLBMPIKLHY-UHFFFAOYSA-N 1 0 323.440 4.131 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc(Oc3cnccn3)cc2)CCCC1 ZINC000657703240 1039040354 /nfs/dbraw/zinc/04/03/54/1039040354.db2.gz VMWYJDLYGTUWFO-UHFFFAOYSA-N 1 0 309.413 4.247 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121828926 1039069310 /nfs/dbraw/zinc/06/93/10/1039069310.db2.gz LTHVUVWISJGPBW-AWEZNQCLSA-N 1 0 304.459 4.115 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000162562378 1039096199 /nfs/dbraw/zinc/09/61/99/1039096199.db2.gz NGVZNVDUYHVVQM-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO CC1CCC([N@H+](CCCC#N)Cc2ccc3c(c2)OCO3)CC1 ZINC000343013237 1039102570 /nfs/dbraw/zinc/10/25/70/1039102570.db2.gz YQVNLMMQNIBKRX-UHFFFAOYSA-N 1 0 314.429 4.100 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000278155106 1039223820 /nfs/dbraw/zinc/22/38/20/1039223820.db2.gz ANGRYFHKXJONGY-ACJLOTCBSA-N 1 0 309.369 4.268 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1F ZINC000539602437 1039295641 /nfs/dbraw/zinc/29/56/41/1039295641.db2.gz IZBOAPJBEJNITE-RYUDHWBXSA-N 1 0 316.351 4.257 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1F ZINC000539602438 1039295683 /nfs/dbraw/zinc/29/56/83/1039295683.db2.gz IZBOAPJBEJNITE-VXGBXAGGSA-N 1 0 316.351 4.257 20 30 DIEDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539610269 1039297811 /nfs/dbraw/zinc/29/78/11/1039297811.db2.gz SJMPJQWAGSOOOX-STQMWFEESA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000539610266 1039299131 /nfs/dbraw/zinc/29/91/31/1039299131.db2.gz SJMPJQWAGSOOOX-CHWSQXEVSA-N 1 0 300.352 4.118 20 30 DIEDRO C[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)c1cccc(Br)c1 ZINC000539825464 1039345054 /nfs/dbraw/zinc/34/50/54/1039345054.db2.gz TZZLYFJATVEELZ-OLZOCXBDSA-N 1 0 321.262 4.177 20 30 DIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000539822872 1039354845 /nfs/dbraw/zinc/35/48/45/1039354845.db2.gz VQCFZTUVZWUZCU-TZMCWYRMSA-N 1 0 300.402 4.137 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000539837018 1039364237 /nfs/dbraw/zinc/36/42/37/1039364237.db2.gz UMTXQQMMUXEODU-LBPRGKRZSA-N 1 0 304.846 4.336 20 30 DIEDRO CCSc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926513518 1039395370 /nfs/dbraw/zinc/39/53/70/1039395370.db2.gz WEPNKQLZJMHCBD-VYDXJSESSA-N 1 0 302.487 4.402 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000278354994 1039410140 /nfs/dbraw/zinc/41/01/40/1039410140.db2.gz ZRXQVPSAIMQION-VBKZILBWSA-N 1 0 321.424 4.319 20 30 DIEDRO C=CC[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000540055939 1039410502 /nfs/dbraw/zinc/41/05/02/1039410502.db2.gz LSQKBZVVHXIKHA-UHFFFAOYSA-N 1 0 320.436 4.333 20 30 DIEDRO Cc1ccc(Br)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140650496 1039424772 /nfs/dbraw/zinc/42/47/72/1039424772.db2.gz RKWASWLURBVQKM-DVSIDAKKSA-N 1 0 319.246 4.024 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000540152113 1039431819 /nfs/dbraw/zinc/43/18/19/1039431819.db2.gz WFYNATKMNRFUFY-SWLSCSKDSA-N 1 0 324.262 4.180 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000540152218 1039432681 /nfs/dbraw/zinc/43/26/81/1039432681.db2.gz SAFDVLWKTLDDHN-SFHVURJKSA-N 1 0 303.446 4.206 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C#N)cc1 ZINC000278391879 1039435724 /nfs/dbraw/zinc/43/57/24/1039435724.db2.gz DVZANPOMSZXMOO-IBGZPJMESA-N 1 0 301.393 4.160 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000540179998 1039444642 /nfs/dbraw/zinc/44/46/42/1039444642.db2.gz NYFCEGKZQNJNHW-ZDUSSCGKSA-N 1 0 307.388 4.308 20 30 DIEDRO CC[C@H](CSC)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000540198169 1039455530 /nfs/dbraw/zinc/45/55/30/1039455530.db2.gz FXYHKSKRVFCNQC-OAHLLOKOSA-N 1 0 315.404 4.130 20 30 DIEDRO COc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2F)C(C)C)cc1 ZINC000540341938 1039481291 /nfs/dbraw/zinc/48/12/91/1039481291.db2.gz FUEGAGPZTLOQOY-IBGZPJMESA-N 1 0 312.388 4.193 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1F ZINC000540350177 1039484403 /nfs/dbraw/zinc/48/44/03/1039484403.db2.gz LMRCGFMTXCSGDV-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000540456884 1039499551 /nfs/dbraw/zinc/49/95/51/1039499551.db2.gz QXRXJZQBLZMKPB-VBQJREDUSA-N 1 0 316.445 4.192 20 30 DIEDRO CCc1cccc2c(CC[NH2+][C@@H](C)c3ccc(C#N)cc3)c[nH]c21 ZINC000540594651 1039523463 /nfs/dbraw/zinc/52/34/63/1039523463.db2.gz DTOVQXCSONUYAN-HNNXBMFYSA-N 1 0 317.436 4.495 20 30 DIEDRO Cc1ccc(CSCC[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000540597429 1039524336 /nfs/dbraw/zinc/52/43/36/1039524336.db2.gz NXSVVUMQZGZNOD-MRXNPFEDSA-N 1 0 310.466 4.451 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000540604952 1039525420 /nfs/dbraw/zinc/52/54/20/1039525420.db2.gz BBTBSUFFABBJJZ-GJZGRUSLSA-N 1 0 309.409 4.421 20 30 DIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000540604954 1039525807 /nfs/dbraw/zinc/52/58/07/1039525807.db2.gz BBTBSUFFABBJJZ-HUUCEWRRSA-N 1 0 309.409 4.421 20 30 DIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1cccc(C#N)c1 ZINC000540605194 1039526178 /nfs/dbraw/zinc/52/61/78/1039526178.db2.gz FCXMXMRHHVGSFS-CYBMUJFWSA-N 1 0 312.363 4.219 20 30 DIEDRO CC[C@H](C[NH2+]Cc1cccc(C#N)c1)Oc1ccccc1Cl ZINC000540611210 1039528303 /nfs/dbraw/zinc/52/83/03/1039528303.db2.gz FJSPEEOGVLSYJV-MRXNPFEDSA-N 1 0 314.816 4.159 20 30 DIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000540663878 1039539837 /nfs/dbraw/zinc/53/98/37/1039539837.db2.gz PEXQXVLCCKSPBP-CYBMUJFWSA-N 1 0 315.392 4.086 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1OC ZINC000540711413 1039552631 /nfs/dbraw/zinc/55/26/31/1039552631.db2.gz MKQLXPSPFXJDGC-AWEZNQCLSA-N 1 0 304.434 4.074 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)C1 ZINC000657819857 1039570249 /nfs/dbraw/zinc/57/02/49/1039570249.db2.gz UMGGDRHNJVZFCL-HUUCEWRRSA-N 1 0 312.413 4.185 20 30 DIEDRO CCCC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000151546612 1039580425 /nfs/dbraw/zinc/58/04/25/1039580425.db2.gz SGQOWHBACRQTLD-UHFFFAOYSA-N 1 0 322.456 4.134 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000153002464 1039584375 /nfs/dbraw/zinc/58/43/75/1039584375.db2.gz JSSBUGRPTMKNDZ-ZDUSSCGKSA-N 1 0 310.844 4.170 20 30 DIEDRO C=CCSCC[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000540968620 1039599120 /nfs/dbraw/zinc/59/91/20/1039599120.db2.gz GJDYGGIXJCTKKA-NSHDSACASA-N 1 0 305.365 4.155 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@@H]2C ZINC000540995111 1039607480 /nfs/dbraw/zinc/60/74/80/1039607480.db2.gz NPHGEPKSVYXNTK-HUUCEWRRSA-N 1 0 306.409 4.075 20 30 DIEDRO CCOc1ccc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)cc1F ZINC000278639197 1039612027 /nfs/dbraw/zinc/61/20/27/1039612027.db2.gz HJOQLXGTDOUFKF-GOSISDBHSA-N 1 0 312.388 4.337 20 30 DIEDRO C=C(Br)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000159054285 1039618785 /nfs/dbraw/zinc/61/87/85/1039618785.db2.gz ASOPAZCLGYWXTG-CYBMUJFWSA-N 1 0 300.627 4.289 20 30 DIEDRO CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)c1ccc(C#N)cc1 ZINC000278705193 1039662991 /nfs/dbraw/zinc/66/29/91/1039662991.db2.gz LFKAWILNBCFUIB-CZAAIQMYSA-N 1 0 322.452 4.154 20 30 DIEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CCO)c1ccccc1 ZINC000135256205 1039665267 /nfs/dbraw/zinc/66/52/67/1039665267.db2.gz AANCJZKFZRGYQS-FQEVSTJZSA-N 1 0 322.452 4.043 20 30 DIEDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135211956 1039667151 /nfs/dbraw/zinc/66/71/51/1039667151.db2.gz FMSFXASCKMJPOO-HNNXBMFYSA-N 1 0 308.425 4.386 20 30 DIEDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135211979 1039667204 /nfs/dbraw/zinc/66/72/04/1039667204.db2.gz FMSFXASCKMJPOO-OAHLLOKOSA-N 1 0 308.425 4.386 20 30 DIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccc(C#N)o1 ZINC000584318641 1039672526 /nfs/dbraw/zinc/67/25/26/1039672526.db2.gz SZHBNRNOWCNCER-GFCCVEGCSA-N 1 0 322.330 4.233 20 30 DIEDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@@H](C)CO1 ZINC000541349757 1039672511 /nfs/dbraw/zinc/67/25/11/1039672511.db2.gz RMUUMOHACDPMNM-LAUBAEHRSA-N 1 0 320.436 4.023 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](SC)C(C)(C)C)cc1OC ZINC000541381285 1039677748 /nfs/dbraw/zinc/67/77/48/1039677748.db2.gz YVNXLJOLHVVTTA-KRWDZBQOSA-N 1 0 323.502 4.127 20 30 DIEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000541564896 1039701049 /nfs/dbraw/zinc/70/10/49/1039701049.db2.gz IKJLOIISBCXFJR-FZKQIMNGSA-N 1 0 314.385 4.394 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccnc3ccccc23)C2CC2)cc1 ZINC000541553325 1039702484 /nfs/dbraw/zinc/70/24/84/1039702484.db2.gz HMURRSHOJFWRDS-UHFFFAOYSA-N 1 0 313.404 4.271 20 30 DIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC000541554432 1039703175 /nfs/dbraw/zinc/70/31/75/1039703175.db2.gz FULPLKFLUMWUHY-FZKQIMNGSA-N 1 0 312.438 4.211 20 30 DIEDRO N#Cc1ccc(CNCc2cnc(C3CCCC3)s2)c(F)c1 ZINC000136071372 1039714593 /nfs/dbraw/zinc/71/45/93/1039714593.db2.gz QUEONFOZELBBMH-UHFFFAOYSA-N 1 0 315.417 4.101 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)CC1 ZINC000541913727 1039760475 /nfs/dbraw/zinc/76/04/75/1039760475.db2.gz WHYHGJDNSGYNAJ-SFHVURJKSA-N 1 0 324.871 4.416 20 30 DIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]2C ZINC000541922196 1039762378 /nfs/dbraw/zinc/76/23/78/1039762378.db2.gz QPRZEUKVSCCBLI-GJZGRUSLSA-N 1 0 306.409 4.075 20 30 DIEDRO CC[N@H+](Cc1ccc2c(c1)ncn2C)[C@@H](C)c1ccc(C#N)cc1 ZINC000271753180 1039810069 /nfs/dbraw/zinc/81/00/69/1039810069.db2.gz WJTPSFHAJXHVJP-HNNXBMFYSA-N 1 0 318.424 4.028 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(N2CCCC2)c1 ZINC000179095456 1039827185 /nfs/dbraw/zinc/82/71/85/1039827185.db2.gz LQKGDMUDWXYPGE-MRXNPFEDSA-N 1 0 305.425 4.009 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(N2CCCC2)c1 ZINC000179095450 1039827445 /nfs/dbraw/zinc/82/74/45/1039827445.db2.gz LQKGDMUDWXYPGE-INIZCTEOSA-N 1 0 305.425 4.009 20 30 DIEDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000030150817 1039872328 /nfs/dbraw/zinc/87/23/28/1039872328.db2.gz CEIOPVPJNFVHAF-AUUYWEPGSA-N 1 0 306.409 4.439 20 30 DIEDRO COC[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C1CC1 ZINC000611870386 1039876556 /nfs/dbraw/zinc/87/65/56/1039876556.db2.gz KEIHGCGFWGYCTK-QVKFZJNVSA-N 1 0 320.436 4.301 20 30 DIEDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C1CC1 ZINC000611870388 1039877745 /nfs/dbraw/zinc/87/77/45/1039877745.db2.gz KEIHGCGFWGYCTK-YCRPNKLZSA-N 1 0 320.436 4.301 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(N(C)C)cc1 ZINC000784351073 1039880189 /nfs/dbraw/zinc/88/01/89/1039880189.db2.gz JNFWTMFJCVPFIQ-CYBMUJFWSA-N 1 0 313.832 4.128 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(N(C)C)cc1 ZINC000784351075 1039880411 /nfs/dbraw/zinc/88/04/11/1039880411.db2.gz JNFWTMFJCVPFIQ-ZDUSSCGKSA-N 1 0 313.832 4.128 20 30 DIEDRO Cc1cccc2oc(CC[NH2+][C@H](C)c3ccc(C#N)c(F)c3)nc21 ZINC000271925585 1039896490 /nfs/dbraw/zinc/89/64/90/1039896490.db2.gz GJBNZCPGPUCHHT-CYBMUJFWSA-N 1 0 323.371 4.040 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000271929039 1039899455 /nfs/dbraw/zinc/89/94/55/1039899455.db2.gz HIZXIKZUXVPHIW-VHKYSDTDSA-N 1 0 324.399 4.268 20 30 DIEDRO C[C@H]([NH2+]Cc1ccccc1OCC1CC1)c1ccc(C#N)c(F)c1 ZINC000271958961 1039925104 /nfs/dbraw/zinc/92/51/04/1039925104.db2.gz QUHXOWIROXAWQM-AWEZNQCLSA-N 1 0 324.399 4.337 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccnc1 ZINC000271982062 1039946232 /nfs/dbraw/zinc/94/62/32/1039946232.db2.gz XCWFNBQAYUSJJV-KSSFIOAISA-N 1 0 311.404 4.183 20 30 DIEDRO Cc1cc(C[NH2+]CCCO[C@@H](C)c2ccccc2)ccc1C#N ZINC000443972266 1039986384 /nfs/dbraw/zinc/98/63/84/1039986384.db2.gz XMJIFBGFUJGDGP-KRWDZBQOSA-N 1 0 308.425 4.124 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(OCC#N)cc1 ZINC000171405028 1039996802 /nfs/dbraw/zinc/99/68/02/1039996802.db2.gz BZCPSYYNDQJBTQ-SUMWQHHRSA-N 1 0 312.438 4.379 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443986770 1040006610 /nfs/dbraw/zinc/00/66/10/1040006610.db2.gz WLCVVFLVMVSOSE-RTWAWAEBSA-N 1 0 320.436 4.185 20 30 DIEDRO Cc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000443998950 1040011384 /nfs/dbraw/zinc/01/13/84/1040011384.db2.gz AXZKSICWPXXARW-WOJBJXKFSA-N 1 0 324.399 4.016 20 30 DIEDRO CC[N@H+](Cc1cccc(COC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179201209 1040057686 /nfs/dbraw/zinc/05/76/86/1040057686.db2.gz HHGKRKCHMBTSPX-INIZCTEOSA-N 1 0 308.425 4.288 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177313522 1040117632 /nfs/dbraw/zinc/11/76/32/1040117632.db2.gz SZKHHRSZQOWYNU-OAQYLSRUSA-N 1 0 324.443 4.155 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000657924183 1040178763 /nfs/dbraw/zinc/17/87/63/1040178763.db2.gz QZRMXCRXAFNXIE-ZGRYLRDCSA-N 1 0 303.450 4.129 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000657924180 1040179108 /nfs/dbraw/zinc/17/91/08/1040179108.db2.gz QZRMXCRXAFNXIE-OTBWCIGPSA-N 1 0 303.450 4.129 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC(F)(F)C1 ZINC000628233772 1040240542 /nfs/dbraw/zinc/24/05/42/1040240542.db2.gz UNAZEPPLDFISBR-NSHDSACASA-N 1 0 317.301 4.080 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C1CC(CF)(CF)C1)c1ccc(F)c(F)c1 ZINC000657983480 1040246467 /nfs/dbraw/zinc/24/64/67/1040246467.db2.gz VAWWZDQMKVWGGF-OAHLLOKOSA-N 1 0 301.327 4.259 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000657982112 1040247268 /nfs/dbraw/zinc/24/72/68/1040247268.db2.gz UYDRPZJTKCEVBN-RHSMWYFYSA-N 1 0 306.450 4.214 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000658059574 1040284444 /nfs/dbraw/zinc/28/44/44/1040284444.db2.gz JILMZMLKBCEVKP-SJLPKXTDSA-N 1 0 320.521 4.138 20 30 DIEDRO C=CCC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000658115844 1040309214 /nfs/dbraw/zinc/30/92/14/1040309214.db2.gz DXAIZIVUVJSFIV-INIZCTEOSA-N 1 0 321.424 4.140 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(-c2ccc(OC)cc2)no1 ZINC000658189288 1040348956 /nfs/dbraw/zinc/34/89/56/1040348956.db2.gz YUEGUELPULBPPB-KBPBESRZSA-N 1 0 300.402 4.041 20 30 DIEDRO C=CCOCCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000658209619 1040359641 /nfs/dbraw/zinc/35/96/41/1040359641.db2.gz IHOWHDLXGVADFQ-FQEVSTJZSA-N 1 0 322.408 4.100 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)CCC2 ZINC000179361302 1040396527 /nfs/dbraw/zinc/39/65/27/1040396527.db2.gz WBUYLDYQYAUNQG-HRAATJIYSA-N 1 0 320.436 4.453 20 30 DIEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000658334503 1040425052 /nfs/dbraw/zinc/42/50/52/1040425052.db2.gz KVJSMGMAZKDAME-FRQCXROJSA-N 1 0 311.425 4.024 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc2cccnc2c1)c1ccc(C#N)cc1F ZINC000612204238 1040501445 /nfs/dbraw/zinc/50/14/45/1040501445.db2.gz RCBVHHSCEHLEGE-CYBMUJFWSA-N 1 0 305.356 4.096 20 30 DIEDRO C=CCCc1ccccc1NC(=O)N[C@H](C)C[N@@H+](CC)CCC ZINC000569747016 1040538207 /nfs/dbraw/zinc/53/82/07/1040538207.db2.gz MAPUVPIQXKXCDE-MRXNPFEDSA-N 1 0 317.477 4.047 20 30 DIEDRO CS[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000612419657 1040588765 /nfs/dbraw/zinc/58/87/65/1040588765.db2.gz DKTOEGUQXSOHRE-SJORKVTESA-N 1 0 302.487 4.303 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000318401955 1040614484 /nfs/dbraw/zinc/61/44/84/1040614484.db2.gz JKFQPRDLUSARNC-KSZLIROESA-N 1 0 306.494 4.112 20 30 DIEDRO C=C(C)C[NH+]1CCC(NCc2ccc(-c3ccccc3)o2)CC1 ZINC000236691373 1040646910 /nfs/dbraw/zinc/64/69/10/1040646910.db2.gz PSWCZJXLZKPKFB-UHFFFAOYSA-N 1 0 310.441 4.077 20 30 DIEDRO C[C@@H](CC#N)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000612584625 1040647906 /nfs/dbraw/zinc/64/79/06/1040647906.db2.gz UEEQJRPHDUDFFN-QMMMGPOBSA-N 1 0 310.241 4.116 20 30 DIEDRO CC1(C)C[C@@H](Nc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000612691799 1040682100 /nfs/dbraw/zinc/68/21/00/1040682100.db2.gz GFEQQIKQTKCXOB-HXUWFJFHSA-N 1 0 319.452 4.218 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000570415521 1040716990 /nfs/dbraw/zinc/71/69/90/1040716990.db2.gz TWBROODBBLLMBE-INIZCTEOSA-N 1 0 321.346 4.293 20 30 DIEDRO CCCC[N@@H+]1Cc2ccc(N=Cc3cccc(OC)c3O)cc2C1 ZINC000255873764 1040727417 /nfs/dbraw/zinc/72/74/17/1040727417.db2.gz SENRSLHSTQQJBB-UHFFFAOYSA-N 1 0 324.424 4.267 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000661378280 1040770193 /nfs/dbraw/zinc/77/01/93/1040770193.db2.gz BPBAYMIXQACQCU-CHWSQXEVSA-N 1 0 303.431 4.147 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(N(C)C)cc1 ZINC000177858685 1040800643 /nfs/dbraw/zinc/80/06/43/1040800643.db2.gz LFXLKSLJWOLIPG-LJQANCHMSA-N 1 0 311.404 4.004 20 30 DIEDRO C[C@@H](c1ccco1)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581222603 1040846729 /nfs/dbraw/zinc/84/67/29/1040846729.db2.gz FHFMITFXJGYNMQ-NSHDSACASA-N 1 0 308.303 4.363 20 30 DIEDRO CC(C)(C)c1ccc(C(C)(C)NCc2nc(C#N)cs2)cc1 ZINC000581576888 1040865764 /nfs/dbraw/zinc/86/57/64/1040865764.db2.gz BFCZPZWVVLTQKL-UHFFFAOYSA-N 1 0 313.470 4.337 20 30 DIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@@H]1c1ccccc1 ZINC000613314800 1040873842 /nfs/dbraw/zinc/87/38/42/1040873842.db2.gz CIGGEECUYANMGC-IEBWSBKVSA-N 1 0 308.400 4.369 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1OC(F)F ZINC000414160080 1040935446 /nfs/dbraw/zinc/93/54/46/1040935446.db2.gz CGBCLIAJHZGYFA-SNVBAGLBSA-N 1 0 300.324 4.018 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)CC#N)CCCS2 ZINC000414161616 1040941378 /nfs/dbraw/zinc/94/13/78/1040941378.db2.gz FTWCZCBEYBSLSE-OAHLLOKOSA-N 1 0 304.459 4.152 20 30 DIEDRO CC[N@H+](CCCCCn1cc(C)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000170884477 1041073558 /nfs/dbraw/zinc/07/35/58/1041073558.db2.gz CCBWAMIMTWTWMV-GOSISDBHSA-N 1 0 324.472 4.317 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000414281829 1041079650 /nfs/dbraw/zinc/07/96/50/1041079650.db2.gz GPFUCPFDTXGGGB-QGLXBCBXSA-N 1 0 300.421 4.261 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000414310660 1041108508 /nfs/dbraw/zinc/10/85/08/1041108508.db2.gz WXKYBXVRRXNDEV-MAUKXSAKSA-N 1 0 311.425 4.239 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000102681417 1041145291 /nfs/dbraw/zinc/14/52/91/1041145291.db2.gz QZUZSWPLCWBZGA-GFCCVEGCSA-N 1 0 305.809 4.349 20 30 DIEDRO C#Cc1ccc(C[N@H+](CCCCOC)Cc2ccccc2)cc1 ZINC000809552911 1041192180 /nfs/dbraw/zinc/19/21/80/1041192180.db2.gz SVIRFHXMPOAZEU-UHFFFAOYSA-N 1 0 307.437 4.097 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000809611584 1041194630 /nfs/dbraw/zinc/19/46/30/1041194630.db2.gz HLOHDMOZJXHEEH-UHFFFAOYSA-N 1 0 318.445 4.390 20 30 DIEDRO C#Cc1ccc(CNc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000809597235 1041199738 /nfs/dbraw/zinc/19/97/38/1041199738.db2.gz BAQCYWREMPMXGM-UHFFFAOYSA-N 1 0 304.437 4.266 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000809604455 1041205245 /nfs/dbraw/zinc/20/52/45/1041205245.db2.gz KPOOFXMGKOOHDA-UHFFFAOYSA-N 1 0 305.352 4.357 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1 ZINC000809627615 1041206945 /nfs/dbraw/zinc/20/69/45/1041206945.db2.gz DFEWSFYRQKNZIH-GOSISDBHSA-N 1 0 309.384 4.199 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000809627042 1041207562 /nfs/dbraw/zinc/20/75/62/1041207562.db2.gz OEUNMWVLWJUSHI-IBGZPJMESA-N 1 0 303.405 4.204 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1 ZINC000809627617 1041207764 /nfs/dbraw/zinc/20/77/64/1041207764.db2.gz DFEWSFYRQKNZIH-SFHVURJKSA-N 1 0 309.384 4.199 20 30 DIEDRO CCc1ccc([C@@H]2CN(Cc3ccc(C#N)cc3C)CCO2)cc1 ZINC000616811929 1041208230 /nfs/dbraw/zinc/20/82/30/1041208230.db2.gz BYRXBRHUEFEFQI-NRFANRHFSA-N 1 0 320.436 4.003 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CC1(OC)CCC1)c1ccc(Cl)cc1F ZINC000809699877 1041217946 /nfs/dbraw/zinc/21/79/46/1041217946.db2.gz UBWJJDYFRNHUQN-WBMJQRKESA-N 1 0 309.812 4.091 20 30 DIEDRO C#C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1F ZINC000809700010 1041218228 /nfs/dbraw/zinc/21/82/28/1041218228.db2.gz VUDRHQDFPKQAEJ-KRWDZBQOSA-N 1 0 322.855 4.006 20 30 DIEDRO C#C[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000809683965 1041224899 /nfs/dbraw/zinc/22/48/99/1041224899.db2.gz SXARCBWQOJYYNL-ZDUSSCGKSA-N 1 0 315.848 4.070 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](CC)[C@@H](C)c2cccnc2)cc1 ZINC000809766110 1041250776 /nfs/dbraw/zinc/25/07/76/1041250776.db2.gz VCRPONVEYDXRPK-KRWDZBQOSA-N 1 0 308.425 4.067 20 30 DIEDRO CCCC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C1CCC1 ZINC000809766279 1041251000 /nfs/dbraw/zinc/25/10/00/1041251000.db2.gz WRSKHVNCQPBJMG-BEFAXECRSA-N 1 0 300.446 4.426 20 30 DIEDRO CCCC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C1CCC1 ZINC000809766282 1041251771 /nfs/dbraw/zinc/25/17/71/1041251771.db2.gz WRSKHVNCQPBJMG-KXBFYZLASA-N 1 0 300.446 4.426 20 30 DIEDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356420855 1041269445 /nfs/dbraw/zinc/26/94/45/1041269445.db2.gz TWPSQWGTAIZAEY-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)c1 ZINC000810144463 1041320260 /nfs/dbraw/zinc/32/02/60/1041320260.db2.gz ABJLRVJHWCLSFG-ZYSHUDEJSA-N 1 0 312.457 4.450 20 30 DIEDRO CC(C)Oc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000810211210 1041337008 /nfs/dbraw/zinc/33/70/08/1041337008.db2.gz OOSROBUNXFCLSV-HXUWFJFHSA-N 1 0 306.409 4.123 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001203208270 1041369801 /nfs/dbraw/zinc/36/98/01/1041369801.db2.gz QADMTZQHZLHTMD-PVXIVEMSSA-N 1 0 314.256 4.361 20 30 DIEDRO CC(C)(C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000236736959 1041382357 /nfs/dbraw/zinc/38/23/57/1041382357.db2.gz NBIFYTAOEPIXSR-UHFFFAOYSA-N 1 0 322.452 4.437 20 30 DIEDRO Cc1ccccc1C1(CNC(=[NH2+])Nc2ccccn2)CCCCC1 ZINC000170914402 1041382824 /nfs/dbraw/zinc/38/28/24/1041382824.db2.gz OELARONCAFCBKO-UHFFFAOYSA-N 1 0 322.456 4.019 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000924599507 1041383010 /nfs/dbraw/zinc/38/30/10/1041383010.db2.gz HLRCWWYTOQNDIB-ZIAGYGMSSA-N 1 0 313.445 4.014 20 30 DIEDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000541153183 1041432620 /nfs/dbraw/zinc/43/26/20/1041432620.db2.gz GKWVCVVBGINCLL-GJZGRUSLSA-N 1 0 318.424 4.106 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000150900840 1041464800 /nfs/dbraw/zinc/46/48/00/1041464800.db2.gz LAWDKGIQMKHDOJ-UHFFFAOYSA-N 1 0 300.450 4.190 20 30 DIEDRO N#Cc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1Cl ZINC000301081187 1041464934 /nfs/dbraw/zinc/46/49/34/1041464934.db2.gz IPTCYKRNRZLNLA-UHFFFAOYSA-N 1 0 308.772 4.009 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(C#N)cc1 ZINC000177200493 1041475159 /nfs/dbraw/zinc/47/51/59/1041475159.db2.gz OPZFXCDOUBLHLP-HOTGVXAUSA-N 1 0 316.408 4.156 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)C2CCCCC2)cc1 ZINC000728711688 1041478302 /nfs/dbraw/zinc/47/83/02/1041478302.db2.gz GPDHZXOTFLEJDH-JKSUJKDBSA-N 1 0 300.446 4.283 20 30 DIEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728711734 1041478686 /nfs/dbraw/zinc/47/86/86/1041478686.db2.gz HWQZGOCHUFTQRR-FOIQADDNSA-N 1 0 306.409 4.063 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCCC1 ZINC000728711682 1041479137 /nfs/dbraw/zinc/47/91/37/1041479137.db2.gz GPDHZXOTFLEJDH-HOTGVXAUSA-N 1 0 300.446 4.283 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000728711784 1041479197 /nfs/dbraw/zinc/47/91/97/1041479197.db2.gz JKSSYFHRANQPIG-GXTWGEPZSA-N 1 0 300.427 4.198 20 30 DIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728713316 1041480960 /nfs/dbraw/zinc/48/09/60/1041480960.db2.gz ZDSMDAYEASPDKQ-HOTGVXAUSA-N 1 0 324.424 4.145 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000728712885 1041481070 /nfs/dbraw/zinc/48/10/70/1041481070.db2.gz BYBYBMXPADTMBX-NXWXRZEISA-N 1 0 312.457 4.426 20 30 DIEDRO C=CCCCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000311056911 1041481120 /nfs/dbraw/zinc/48/11/20/1041481120.db2.gz WCYFXUWJWVDIRM-CQSZACIVSA-N 1 0 310.235 4.219 20 30 DIEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728715327 1041482220 /nfs/dbraw/zinc/48/22/20/1041482220.db2.gz WZEOCEQLLSDMFA-MNEFBYGVSA-N 1 0 300.446 4.282 20 30 DIEDRO C=C(C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000468633756 1041494471 /nfs/dbraw/zinc/49/44/71/1041494471.db2.gz VZVSXMKYCQNBNE-RVDMUPIBSA-N 1 0 308.381 4.301 20 30 DIEDRO C=CCC[C@@H](NC(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000415944453 1041508877 /nfs/dbraw/zinc/50/88/77/1041508877.db2.gz PFPCTXBXINKAMQ-LJQANCHMSA-N 1 0 323.440 4.235 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1ccccc1 ZINC000893192552 1041546776 /nfs/dbraw/zinc/54/67/76/1041546776.db2.gz WTPGVTGTWRXQCX-OAHLLOKOSA-N 1 0 303.837 4.179 20 30 DIEDRO CCCN(CCC#N)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143505954 1041609052 /nfs/dbraw/zinc/60/90/52/1041609052.db2.gz QBKODZHVWPUTFN-UHFFFAOYSA-N 1 0 304.743 4.484 20 30 DIEDRO N#CC12CCC([NH2+][C@H]3CCc4cc(F)cc(F)c4C3)(CC1)CC2 ZINC001170675800 1041616516 /nfs/dbraw/zinc/61/65/16/1041616516.db2.gz UUCZSLDRQIBTDK-MNNVXMFVSA-N 1 0 316.395 4.028 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc2ccccc2c1 ZINC000236689173 1041625624 /nfs/dbraw/zinc/62/56/24/1041625624.db2.gz WEAPOTOAFJZKSZ-UHFFFAOYSA-N 1 0 301.389 4.142 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000812724418 1041641526 /nfs/dbraw/zinc/64/15/26/1041641526.db2.gz CLKFUAMUKFLSKP-ZDUSSCGKSA-N 1 0 302.418 4.403 20 30 DIEDRO C[C@@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccc(OCC#N)cc1 ZINC000812738801 1041643293 /nfs/dbraw/zinc/64/32/93/1041643293.db2.gz BKJCLNUUTJQBCM-CQSZACIVSA-N 1 0 307.397 4.036 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000812792889 1041650940 /nfs/dbraw/zinc/65/09/40/1041650940.db2.gz JXEJFMGWZUHXHE-DBVUQKKJSA-N 1 0 308.400 4.211 20 30 DIEDRO CC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849047 1041656409 /nfs/dbraw/zinc/65/64/09/1041656409.db2.gz FWBNNIWGGLXYIW-FUHWJXTLSA-N 1 0 302.462 4.150 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000417368528 1041665660 /nfs/dbraw/zinc/66/56/60/1041665660.db2.gz PXJCSBBKGXJQRO-OALUTQOASA-N 1 0 324.374 4.491 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCNc2ccccc21 ZINC000417366290 1041665690 /nfs/dbraw/zinc/66/56/90/1041665690.db2.gz NDBQOCZNKMDRLV-NHCUHLMSSA-N 1 0 317.436 4.472 20 30 DIEDRO CO[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CC(C)C ZINC000417376139 1041667537 /nfs/dbraw/zinc/66/75/37/1041667537.db2.gz QSIAHYVNJPXDTD-GPJFCIFZSA-N 1 0 314.473 4.041 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000417393386 1041668015 /nfs/dbraw/zinc/66/80/15/1041668015.db2.gz UGPYJAKWCLVZSU-BFUOFWGJSA-N 1 0 321.380 4.195 20 30 DIEDRO N#Cc1ccc(C2([NH2+]CCCCC3(C#N)CCC3)CCC2)cc1 ZINC000930886833 1041689363 /nfs/dbraw/zinc/68/93/63/1041689363.db2.gz IOMFNXNEMMEKCG-UHFFFAOYSA-N 1 0 307.441 4.391 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000584865938 1041695196 /nfs/dbraw/zinc/69/51/96/1041695196.db2.gz LVRGMQWZVJCIPV-RHSMWYFYSA-N 1 0 300.446 4.357 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OC)c(COCC)c1)c1ccccc1 ZINC000747852859 1041703140 /nfs/dbraw/zinc/70/31/40/1041703140.db2.gz NHLJPZHVOWNURQ-UHFFFAOYSA-N 1 0 311.425 4.035 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000418144754 1041731562 /nfs/dbraw/zinc/73/15/62/1041731562.db2.gz LAWGHZNEECBOSM-QGZVFWFLSA-N 1 0 316.326 4.143 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1scnc1C1CC1 ZINC000418143869 1041731710 /nfs/dbraw/zinc/73/17/10/1041731710.db2.gz JHRZOWYWFYTAPU-MRXNPFEDSA-N 1 0 309.438 4.059 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(-c2ccc(C#N)o2)cc1 ZINC001167754614 1041751334 /nfs/dbraw/zinc/75/13/34/1041751334.db2.gz ZYZXMENDMMCFGD-MRXNPFEDSA-N 1 0 323.440 4.495 20 30 DIEDRO N#CCCCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000092745826 1041760217 /nfs/dbraw/zinc/76/02/17/1041760217.db2.gz GAKWHORTFZFCTQ-OAHLLOKOSA-N 1 0 307.235 4.110 20 30 DIEDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1 ZINC000781929188 1041774423 /nfs/dbraw/zinc/77/44/23/1041774423.db2.gz GUOWETRWLGTHRQ-YLJYHZDGSA-N 1 0 311.473 4.049 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000814164939 1041781937 /nfs/dbraw/zinc/78/19/37/1041781937.db2.gz HUCFFBTXNWCTQJ-IBGZPJMESA-N 1 0 308.510 4.071 20 30 DIEDRO C=CCCCCCCN1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001222642572 1041839711 /nfs/dbraw/zinc/83/97/11/1041839711.db2.gz LBGNFBOCCKVUJU-HNNXBMFYSA-N 1 0 318.427 4.129 20 30 DIEDRO CC[C@@H](C)[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047549334 1041840637 /nfs/dbraw/zinc/84/06/37/1041840637.db2.gz JXELVHGGFJABPI-MRXNPFEDSA-N 1 0 303.409 4.231 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1cccc2nsnc21)c1ccccc1 ZINC000814661141 1041845547 /nfs/dbraw/zinc/84/55/47/1041845547.db2.gz WBVOHSHLNKLEHR-MRXNPFEDSA-N 1 0 322.437 4.216 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000651672259 1041875364 /nfs/dbraw/zinc/87/53/64/1041875364.db2.gz VRQDKZVNFPPJEP-SPYBWZPUSA-N 1 0 312.457 4.431 20 30 DIEDRO CC(N=Nc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000814872470 1041881717 /nfs/dbraw/zinc/88/17/17/1041881717.db2.gz XNMUCXJAPHNPRD-UHFFFAOYSA-N 1 0 300.233 4.123 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1CC ZINC000661115860 1041888311 /nfs/dbraw/zinc/88/83/11/1041888311.db2.gz FSXPNZDNAAUZMX-ROUUACIJSA-N 1 0 314.473 4.220 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000661118674 1041888355 /nfs/dbraw/zinc/88/83/55/1041888355.db2.gz JKBFKDOXYZOVDY-ZBFHGGJFSA-N 1 0 315.417 4.171 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncn1Cc1ccccc1 ZINC000661113907 1041888868 /nfs/dbraw/zinc/88/88/68/1041888868.db2.gz CLRHQVCEOJECEI-QUCCMNQESA-N 1 0 309.457 4.156 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000661119708 1041889429 /nfs/dbraw/zinc/88/94/29/1041889429.db2.gz WKOZHTXPZIQTRP-GXTWGEPZSA-N 1 0 303.431 4.023 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Cl ZINC000661116217 1041890222 /nfs/dbraw/zinc/89/02/22/1041890222.db2.gz HYGBHIIPWUULGF-DZGCQCFKSA-N 1 0 306.837 4.003 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc([C@@H](C)OCC)n1 ZINC000661118153 1041890468 /nfs/dbraw/zinc/89/04/68/1041890468.db2.gz XBLUYSIXUDKYTA-FMKPAKJESA-N 1 0 308.491 4.465 20 30 DIEDRO CC(N=Nc1ccc(F)c(F)c1F)c1cccc(C[NH+](C)C)c1 ZINC000814945518 1041894415 /nfs/dbraw/zinc/89/44/15/1041894415.db2.gz ZRQBAFKFLFJTMM-UHFFFAOYSA-N 1 0 321.346 4.002 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N(CC)CC)cc2)C1 ZINC000651749948 1041902352 /nfs/dbraw/zinc/90/23/52/1041902352.db2.gz PTSXSFNGFNLTNQ-APWZRJJASA-N 1 0 314.473 4.003 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000651750295 1041903250 /nfs/dbraw/zinc/90/32/50/1041903250.db2.gz CCARNMYNLNPENC-CRAIPNDOSA-N 1 0 315.461 4.051 20 30 DIEDRO CC(C)[N@H+](Cc1cccnc1)Cc1ccccc1C(C)(C)C#N ZINC000093223803 1041903375 /nfs/dbraw/zinc/90/33/75/1041903375.db2.gz XYLHMOWCACQUFN-UHFFFAOYSA-N 1 0 307.441 4.293 20 30 DIEDRO C=CCC(F)(F)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000815041251 1041908780 /nfs/dbraw/zinc/90/87/80/1041908780.db2.gz GJEKUNSUVCQJAQ-CQSZACIVSA-N 1 0 322.399 4.068 20 30 DIEDRO C=CCOCC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000815078148 1041910728 /nfs/dbraw/zinc/91/07/28/1041910728.db2.gz PKDLYAQWDOADMB-QGZVFWFLSA-N 1 0 311.425 4.158 20 30 DIEDRO C[C@@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000815082040 1041911481 /nfs/dbraw/zinc/91/14/81/1041911481.db2.gz XVQHFRSPUKHXET-VFNWGFHPSA-N 1 0 316.404 4.096 20 30 DIEDRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000815151990 1041919591 /nfs/dbraw/zinc/91/95/91/1041919591.db2.gz XCVSHCADVXSVQD-UHFFFAOYSA-N 1 0 321.468 4.370 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000815109655 1041919715 /nfs/dbraw/zinc/91/97/15/1041919715.db2.gz IYCMAQOFSPIDAD-CQSZACIVSA-N 1 0 308.432 4.209 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000815142691 1041925250 /nfs/dbraw/zinc/92/52/50/1041925250.db2.gz XSAGLXPSQAFUOI-UHFFFAOYSA-N 1 0 320.868 4.358 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)cc1 ZINC000815142379 1041925354 /nfs/dbraw/zinc/92/53/54/1041925354.db2.gz RQSUGWCKMDCGAH-UHFFFAOYSA-N 1 0 315.363 4.100 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815201359 1041933175 /nfs/dbraw/zinc/93/31/75/1041933175.db2.gz LHRQXWOKKOQRGY-IRXDYDNUSA-N 1 0 322.493 4.064 20 30 DIEDRO CCCCCCCC[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000796797702 1041951974 /nfs/dbraw/zinc/95/19/74/1041951974.db2.gz JQIZYEGVVTUIOI-CQSZACIVSA-N 1 0 304.434 4.029 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 ZINC000236737830 1041965203 /nfs/dbraw/zinc/96/52/03/1041965203.db2.gz WXECLTQGTLFEIY-OXJNMPFZSA-N 1 0 308.425 4.464 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000815593863 1041969267 /nfs/dbraw/zinc/96/92/67/1041969267.db2.gz ZLGWJQZWYGOOIN-MRXNPFEDSA-N 1 0 305.421 4.427 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](CC)c1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000815599561 1041970207 /nfs/dbraw/zinc/97/02/07/1041970207.db2.gz VZYZRRMGLBEEKX-WOJBJXKFSA-N 1 0 321.420 4.279 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccccc1SC(C)(C)C ZINC000815600907 1041971682 /nfs/dbraw/zinc/97/16/82/1041971682.db2.gz IGUDSNMRMBVEAB-GJZGRUSLSA-N 1 0 307.503 4.412 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000815622313 1041976632 /nfs/dbraw/zinc/97/66/32/1041976632.db2.gz RIFYENQNAIUJMJ-IBGZPJMESA-N 1 0 320.436 4.350 20 30 DIEDRO CC[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000541630009 1041989238 /nfs/dbraw/zinc/98/92/38/1041989238.db2.gz SRSNMAUVHGYCHZ-AWEZNQCLSA-N 1 0 320.845 4.393 20 30 DIEDRO C=CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C(C)(C)C ZINC000661755579 1041991065 /nfs/dbraw/zinc/99/10/65/1041991065.db2.gz VAFUOFUOIXMNIK-UHFFFAOYSA-N 1 0 323.440 4.024 20 30 DIEDRO C=CCC1([NH2+]Cc2coc(-c3ccc(OC)cc3)n2)CCCC1 ZINC000661848487 1042005799 /nfs/dbraw/zinc/00/57/99/1042005799.db2.gz FBIVQDYKTYQKOF-UHFFFAOYSA-N 1 0 312.413 4.329 20 30 DIEDRO CCOc1cncc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000598644350 1042045701 /nfs/dbraw/zinc/04/57/01/1042045701.db2.gz JIBFAAPJNOOEHD-IBGZPJMESA-N 1 0 309.413 4.005 20 30 DIEDRO C#CC1CC[NH+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000830343281 1042053870 /nfs/dbraw/zinc/05/38/70/1042053870.db2.gz QVFFVZMPKCQGAH-ZDUSSCGKSA-N 1 0 314.816 4.401 20 30 DIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000093872515 1042079415 /nfs/dbraw/zinc/07/94/15/1042079415.db2.gz UVEZMEZDKRKIEY-TZIWHRDSSA-N 1 0 315.420 4.440 20 30 DIEDRO FC(F)(F)C=CNNc1[nH+]cc(C(F)(F)F)cc1Cl ZINC000817321948 1042103089 /nfs/dbraw/zinc/10/30/89/1042103089.db2.gz GLBFXUYJNFVZMR-UHFFFAOYSA-N 1 0 305.609 4.104 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000818347932 1042148256 /nfs/dbraw/zinc/14/82/56/1042148256.db2.gz XBHCMZLUMMVDIF-WHOFXGATSA-N 1 0 313.413 4.243 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1O ZINC000818355455 1042150410 /nfs/dbraw/zinc/15/04/10/1042150410.db2.gz FZTWJVHOKFJHKZ-SUHUHFCYSA-N 1 0 312.335 4.144 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4cccc(Cl)c4C3)CC2)cc1 ZINC001170904173 1042153116 /nfs/dbraw/zinc/15/31/16/1042153116.db2.gz YTBIRTIGOFTVRJ-QGZVFWFLSA-N 1 0 322.839 4.348 20 30 DIEDRO N#Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170922298 1042169503 /nfs/dbraw/zinc/16/95/03/1042169503.db2.gz YFUGASRMAOKUEJ-SFHVURJKSA-N 1 0 322.839 4.127 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(Cl)cc1 ZINC001206091807 1042190462 /nfs/dbraw/zinc/19/04/62/1042190462.db2.gz SQKXBKYGNBXXLR-IAGOWNOFSA-N 1 0 303.833 4.096 20 30 DIEDRO CC[C@@H](C)Oc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1OC ZINC000066971919 1042210922 /nfs/dbraw/zinc/21/09/22/1042210922.db2.gz HAOWEBUITLHVJN-OAHLLOKOSA-N 1 0 324.424 4.034 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1Cl ZINC000066971886 1042211043 /nfs/dbraw/zinc/21/10/43/1042211043.db2.gz OCBURUYPQCHLRM-UHFFFAOYSA-N 1 0 312.800 4.066 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1Cl ZINC000585726577 1042237621 /nfs/dbraw/zinc/23/76/21/1042237621.db2.gz UUNYJYVHLHWWQJ-GOSISDBHSA-N 1 0 312.800 4.084 20 30 DIEDRO CCOc1cccc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000821021545 1042237876 /nfs/dbraw/zinc/23/78/76/1042237876.db2.gz HRXDIYHTWBDHBG-QXMHVHEDSA-N 1 0 309.409 4.043 20 30 DIEDRO CC(C)Oc1ccc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000821017382 1042238193 /nfs/dbraw/zinc/23/81/93/1042238193.db2.gz GTPOZOXSBJVUAH-RAXLEYEMSA-N 1 0 323.436 4.432 20 30 DIEDRO CC(C)Oc1cccc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000821017694 1042238334 /nfs/dbraw/zinc/23/83/34/1042238334.db2.gz LXHYZIFOWPESRP-VAWYXSNFSA-N 1 0 323.436 4.432 20 30 DIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)c1 ZINC000821017295 1042238486 /nfs/dbraw/zinc/23/84/86/1042238486.db2.gz FAUWZUWPQLMFHC-VURMDHGXSA-N 1 0 315.800 4.003 20 30 DIEDRO CC(C)Oc1cccc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000821017693 1042238740 /nfs/dbraw/zinc/23/87/40/1042238740.db2.gz LXHYZIFOWPESRP-QXMHVHEDSA-N 1 0 323.436 4.432 20 30 DIEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000585764848 1042244894 /nfs/dbraw/zinc/24/48/94/1042244894.db2.gz QPGSRPUVZXBPIO-VUEDXXQZSA-N 1 0 320.436 4.410 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000772858326 1042274487 /nfs/dbraw/zinc/27/44/87/1042274487.db2.gz QHBOBNOIGIZWFQ-MOPGFXCFSA-N 1 0 317.379 4.295 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000772858329 1042275028 /nfs/dbraw/zinc/27/50/28/1042275028.db2.gz QHBOBNOIGIZWFQ-RBUKOAKNSA-N 1 0 317.379 4.295 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000436282624 1042325733 /nfs/dbraw/zinc/32/57/33/1042325733.db2.gz HUWUSQDWAYTSFD-CBDKUPKJSA-N 1 0 319.411 4.314 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2cnn(CC(F)(F)F)c2)CCCC1(C)C ZINC000446857090 1042331225 /nfs/dbraw/zinc/33/12/25/1042331225.db2.gz SCVFVICYCKCDES-CQSZACIVSA-N 1 0 315.383 4.012 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(Cl)nc(Cl)c1 ZINC000823617183 1042335775 /nfs/dbraw/zinc/33/57/75/1042335775.db2.gz GNEZSURYWIBHBO-NSHDSACASA-N 1 0 320.223 4.453 20 30 DIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171023498 1042336111 /nfs/dbraw/zinc/33/61/11/1042336111.db2.gz YJIPHBXAQVABML-MGPUTAFESA-N 1 0 322.839 4.346 20 30 DIEDRO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000320327574 1042372408 /nfs/dbraw/zinc/37/24/08/1042372408.db2.gz XWESDLVIGWIEKF-UHFFFAOYSA-N 1 0 320.314 4.089 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000236894831 1042378744 /nfs/dbraw/zinc/37/87/44/1042378744.db2.gz OKRJOXREXAAPAS-YLJYHZDGSA-N 1 0 322.452 4.478 20 30 DIEDRO COc1ccc(CC[N@H+](CCCC#N)Cc2ccccc2)cc1 ZINC000339710784 1042386391 /nfs/dbraw/zinc/38/63/91/1042386391.db2.gz PABAPHJKDKZYLN-UHFFFAOYSA-N 1 0 308.425 4.044 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(Br)cc1)c1ccccc1 ZINC000110057638 1042393628 /nfs/dbraw/zinc/39/36/28/1042393628.db2.gz QUCWYBDGXOICBW-UHFFFAOYSA-N 1 0 302.215 4.252 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000573732146 1042412936 /nfs/dbraw/zinc/41/29/36/1042412936.db2.gz ICTJRFBFCPUOIP-KKSFZXQISA-N 1 0 318.420 4.089 20 30 DIEDRO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc(C#N)cc1F ZINC000453222811 1042414145 /nfs/dbraw/zinc/41/41/45/1042414145.db2.gz RHFHSFHADUVHIE-JSGCOSHPSA-N 1 0 312.413 4.237 20 30 DIEDRO C#CCOc1ccccc1CNc1cccc(C[NH+](CC)CC)c1 ZINC000236932670 1042414186 /nfs/dbraw/zinc/41/41/86/1042414186.db2.gz FFXPNOWOWUBMRO-UHFFFAOYSA-N 1 0 322.452 4.153 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1(Cc2ccccc2)CC1 ZINC000614159569 1042418199 /nfs/dbraw/zinc/41/81/99/1042418199.db2.gz HTUAOIXQGDNBAX-HXUWFJFHSA-N 1 0 302.421 4.301 20 30 DIEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000614163974 1042419188 /nfs/dbraw/zinc/41/91/88/1042419188.db2.gz YXLPBEKRVXTSID-AQNXPRMDSA-N 1 0 312.457 4.119 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178685051 1042420660 /nfs/dbraw/zinc/42/06/60/1042420660.db2.gz NLHXCKFUGSCNHI-HUUCEWRRSA-N 1 0 324.380 4.019 20 30 DIEDRO CCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCCCO1 ZINC000614174120 1042421189 /nfs/dbraw/zinc/42/11/89/1042421189.db2.gz IENSVHGAOYTAFK-LJQANCHMSA-N 1 0 314.473 4.269 20 30 DIEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171394 1042421536 /nfs/dbraw/zinc/42/15/36/1042421536.db2.gz VUGVNBZGHISJBQ-MRXNPFEDSA-N 1 0 322.452 4.256 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CC(Cc3ccccc3)C2)cc1 ZINC000614178879 1042422153 /nfs/dbraw/zinc/42/21/53/1042422153.db2.gz SFIBTRMEVPJKAD-UHFFFAOYSA-N 1 0 304.437 4.162 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000614177566 1042422610 /nfs/dbraw/zinc/42/26/10/1042422610.db2.gz YITHYIIWJVNKOS-LJQANCHMSA-N 1 0 305.425 4.220 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614183056 1042424289 /nfs/dbraw/zinc/42/42/89/1042424289.db2.gz VMLVXTJKPQCLFH-UHFFFAOYSA-N 1 0 308.425 4.311 20 30 DIEDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614186107 1042425813 /nfs/dbraw/zinc/42/58/13/1042425813.db2.gz WGDNTIUYPFNSSZ-KRWDZBQOSA-N 1 0 314.473 4.126 20 30 DIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000894105018 1042426159 /nfs/dbraw/zinc/42/61/59/1042426159.db2.gz DBCBJFIWKLMBOJ-GFCCVEGCSA-N 1 0 317.433 4.367 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000894105019 1042426228 /nfs/dbraw/zinc/42/62/28/1042426228.db2.gz DBCBJFIWKLMBOJ-LBPRGKRZSA-N 1 0 317.433 4.367 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000150924265 1042430125 /nfs/dbraw/zinc/43/01/25/1042430125.db2.gz ARMUDZLXQQEEIC-GOSISDBHSA-N 1 0 300.352 4.467 20 30 DIEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614227419 1042441003 /nfs/dbraw/zinc/44/10/03/1042441003.db2.gz RUEVFBHTSAASCF-MOPGFXCFSA-N 1 0 314.473 4.171 20 30 DIEDRO CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000237033086 1042466789 /nfs/dbraw/zinc/46/67/89/1042466789.db2.gz VZDGPQXILIHHMB-YLJYHZDGSA-N 1 0 322.452 4.478 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419329032 1042471356 /nfs/dbraw/zinc/47/13/56/1042471356.db2.gz GEOLRZVIZQELLX-SJORKVTESA-N 1 0 306.494 4.234 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419346352 1042474042 /nfs/dbraw/zinc/47/40/42/1042474042.db2.gz VAWFBPMLDFEPJL-CQSZACIVSA-N 1 0 306.409 4.295 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000614403108 1042491896 /nfs/dbraw/zinc/49/18/96/1042491896.db2.gz DHQZQPRSOGPBLM-UHFFFAOYSA-N 1 0 313.404 4.028 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000614402116 1042492071 /nfs/dbraw/zinc/49/20/71/1042492071.db2.gz KWDCLQVPVRDEOZ-NHCUHLMSSA-N 1 0 315.420 4.138 20 30 DIEDRO COc1cc(C[N@H+](C)[C@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000389888811 1042496970 /nfs/dbraw/zinc/49/69/70/1042496970.db2.gz MXVLDTJJFJYFSI-CYBMUJFWSA-N 1 0 314.816 4.413 20 30 DIEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000151139424 1042500881 /nfs/dbraw/zinc/50/08/81/1042500881.db2.gz BAPBEECINCTKTP-HXPMCKFVSA-N 1 0 312.363 4.250 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000513402646 1042539689 /nfs/dbraw/zinc/53/96/89/1042539689.db2.gz YKLQNBYSHVNMLI-SFHVURJKSA-N 1 0 310.828 4.419 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1cccc(Cl)c1 ZINC000182588557 1042544922 /nfs/dbraw/zinc/54/49/22/1042544922.db2.gz VQRLOMCQGKDWQR-QGZVFWFLSA-N 1 0 314.816 4.461 20 30 DIEDRO C=C1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000513467892 1042544997 /nfs/dbraw/zinc/54/49/97/1042544997.db2.gz ZFRYPSJQRMVTIH-UHFFFAOYSA-N 1 0 321.468 4.377 20 30 DIEDRO CC1(C)CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513659653 1042556763 /nfs/dbraw/zinc/55/67/63/1042556763.db2.gz CZLKJHYMMNYAKN-IBGZPJMESA-N 1 0 311.473 4.085 20 30 DIEDRO COc1cc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000614493859 1042563513 /nfs/dbraw/zinc/56/35/13/1042563513.db2.gz ZYJWNLGQEQPUCX-MRXNPFEDSA-N 1 0 308.425 4.377 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000280720883 1042578391 /nfs/dbraw/zinc/57/83/91/1042578391.db2.gz FRZGMBBSICWOQJ-NDXORKPFSA-N 1 0 322.452 4.380 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000280734899 1042579416 /nfs/dbraw/zinc/57/94/16/1042579416.db2.gz HHTIPDDUYNZPIQ-CFVMTHIKSA-N 1 0 308.491 4.207 20 30 DIEDRO CC(C)[C@H]1CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000513713020 1042593995 /nfs/dbraw/zinc/59/39/95/1042593995.db2.gz IZXYLAGYLDIYBN-CSODTCANSA-N 1 0 312.457 4.272 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618805273 1042609799 /nfs/dbraw/zinc/60/97/99/1042609799.db2.gz FPZTYYWMJHBGTJ-YJYMSZOUSA-N 1 0 310.828 4.420 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805720 1042610910 /nfs/dbraw/zinc/61/09/10/1042610910.db2.gz PAJGGYSVRIQMKS-OALUTQOASA-N 1 0 321.380 4.195 20 30 DIEDRO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000420935797 1042615621 /nfs/dbraw/zinc/61/56/21/1042615621.db2.gz YNOQROHAYACVMB-HOTGVXAUSA-N 1 0 322.493 4.149 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420974986 1042619805 /nfs/dbraw/zinc/61/98/05/1042619805.db2.gz OXXBKULAMDFDOS-HNNXBMFYSA-N 1 0 321.262 4.150 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000513739102 1042623568 /nfs/dbraw/zinc/62/35/68/1042623568.db2.gz DKHFTFJCKJKFCM-UHFFFAOYSA-N 1 0 308.425 4.337 20 30 DIEDRO C[C@H](C[N@H+](CCC#N)CC1CC1)c1cccc(Br)c1 ZINC000513741428 1042625071 /nfs/dbraw/zinc/62/50/71/1042625071.db2.gz MZBVQRYSOWNXKN-CYBMUJFWSA-N 1 0 321.262 4.178 20 30 DIEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618807775 1042625553 /nfs/dbraw/zinc/62/55/53/1042625553.db2.gz WLZDGNLBHCLALG-YCRPNKLZSA-N 1 0 320.436 4.165 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc2ccccc2[nH]1 ZINC000421327387 1042630530 /nfs/dbraw/zinc/63/05/30/1042630530.db2.gz PYCFEBPGCZTZPR-GOSISDBHSA-N 1 0 322.387 4.061 20 30 DIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1ccc(C#N)c(F)c1 ZINC000421340479 1042630997 /nfs/dbraw/zinc/63/09/97/1042630997.db2.gz UNGRTQQJYWRRER-UHFFFAOYSA-N 1 0 323.415 4.214 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c(C)c1 ZINC000421348779 1042631820 /nfs/dbraw/zinc/63/18/20/1042631820.db2.gz BMJCINHEFIGALT-UHFFFAOYSA-N 1 0 312.388 4.084 20 30 DIEDRO CC(C)[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1ccsc1 ZINC000421368038 1042632545 /nfs/dbraw/zinc/63/25/45/1042632545.db2.gz FSBHCOKOGJOELV-CQSZACIVSA-N 1 0 324.453 4.239 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1F ZINC000421362207 1042632669 /nfs/dbraw/zinc/63/26/69/1042632669.db2.gz ITPPTKRTGCCTMM-KBPBESRZSA-N 1 0 314.326 4.156 20 30 DIEDRO CC[C@H]1c2ccsc2CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000016420403 1042639075 /nfs/dbraw/zinc/63/90/75/1042639075.db2.gz DWJFCSLKSRTEON-KRWDZBQOSA-N 1 0 312.438 4.008 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc2c(s1)CCCC2 ZINC000421866235 1042659005 /nfs/dbraw/zinc/65/90/05/1042659005.db2.gz BACRIGKXHKCQJM-NSHDSACASA-N 1 0 302.468 4.411 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)s2)C(C)C)c(F)c1 ZINC000421848083 1042659622 /nfs/dbraw/zinc/65/96/22/1042659622.db2.gz AAGJLYHZASXLQC-QGZVFWFLSA-N 1 0 318.417 4.254 20 30 DIEDRO COCCC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000421869101 1042661627 /nfs/dbraw/zinc/66/16/27/1042661627.db2.gz DMDIDNXZOUWTIF-QGZVFWFLSA-N 1 0 318.417 4.016 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CC(C)(C)OC)cc1Cl ZINC000237134426 1042664823 /nfs/dbraw/zinc/66/48/23/1042664823.db2.gz HHIRPKUNIXNETI-CYBMUJFWSA-N 1 0 311.853 4.198 20 30 DIEDRO CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000423247978 1042702743 /nfs/dbraw/zinc/70/27/43/1042702743.db2.gz RAVFWYZYAKRRAX-FOIQADDNSA-N 1 0 307.441 4.032 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc(C#N)c1 ZINC000423442993 1042712318 /nfs/dbraw/zinc/71/23/18/1042712318.db2.gz PYIMQAIMVDTPHZ-FZKQIMNGSA-N 1 0 321.424 4.093 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000424172321 1042728161 /nfs/dbraw/zinc/72/81/61/1042728161.db2.gz LRSPYYABFVAKDU-YOEHRIQHSA-N 1 0 317.429 4.235 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000424293852 1042731343 /nfs/dbraw/zinc/73/13/43/1042731343.db2.gz JQJRFOZYGYVYMQ-XKGZKEIXSA-N 1 0 315.457 4.107 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)c(Cl)c1 ZINC000424342201 1042738125 /nfs/dbraw/zinc/73/81/25/1042738125.db2.gz CKQAAGHUXHBFNC-HSBZDZAISA-N 1 0 306.837 4.329 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1C(C)=CCC[C@H]1C ZINC000515017421 1042806068 /nfs/dbraw/zinc/80/60/68/1042806068.db2.gz AFRSCMDSLDXUBV-VQIMIIECSA-N 1 0 303.446 4.142 20 30 DIEDRO N#Cc1c(C[N@@H+]2CCC[C@H]2Cc2ccccc2)cn2ccccc12 ZINC000515123753 1042809751 /nfs/dbraw/zinc/80/97/51/1042809751.db2.gz NRWFLRFKTFZXQW-IBGZPJMESA-N 1 0 315.420 4.018 20 30 DIEDRO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(CCC#N)CC3)o2)cc1 ZINC000515379835 1042818005 /nfs/dbraw/zinc/81/80/05/1042818005.db2.gz VZIZCHGLTBWXOP-OAHLLOKOSA-N 1 0 324.428 4.122 20 30 DIEDRO C[C@H](c1ccccc1F)N(C)Cc1cn2ccccc2c1C#N ZINC000515502782 1042824717 /nfs/dbraw/zinc/82/47/17/1042824717.db2.gz IVLOFOJBVPIECW-CQSZACIVSA-N 1 0 307.372 4.143 20 30 DIEDRO C=CCN(Cc1ccccc1F)Cc1nc2ccccc2nc1C ZINC000515770257 1042833948 /nfs/dbraw/zinc/83/39/48/1042833948.db2.gz BNHIAGNPZNGHQA-UHFFFAOYSA-N 1 0 321.399 4.266 20 30 DIEDRO CCC(CC)n1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425529633 1042837662 /nfs/dbraw/zinc/83/76/62/1042837662.db2.gz CGSWDXJKUCHILK-OAHLLOKOSA-N 1 0 310.445 4.309 20 30 DIEDRO CC(C)N(Cc1cccc(F)c1)Cc1cc(C#N)ccc1F ZINC000516745381 1042853828 /nfs/dbraw/zinc/85/38/28/1042853828.db2.gz HBSCOCVQFXJIEQ-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO CC(C)COc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000517752585 1042895698 /nfs/dbraw/zinc/89/56/98/1042895698.db2.gz SOMKBQDGPAKPFX-UHFFFAOYSA-N 1 0 320.436 4.372 20 30 DIEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(Cl)s2)cc1 ZINC000262023856 1042956487 /nfs/dbraw/zinc/95/64/87/1042956487.db2.gz YTXVNGWDGQSRQJ-UHFFFAOYSA-N 1 0 323.849 4.116 20 30 DIEDRO C=CCCC1(CNC(=O)c2sccc2C[NH+](C)C)CCCC1 ZINC000617417125 1042972008 /nfs/dbraw/zinc/97/20/08/1042972008.db2.gz MLYUIIRCLHQEBL-UHFFFAOYSA-N 1 0 320.502 4.066 20 30 DIEDRO N#Cc1ccc(OCCC[NH2+]C2(c3ccc(F)cc3)CCC2)cc1 ZINC000729474695 1042986487 /nfs/dbraw/zinc/98/64/87/1042986487.db2.gz JRTIVGXCNWJKKU-UHFFFAOYSA-N 1 0 324.399 4.135 20 30 DIEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)ccc1OC ZINC000151372720 1042989090 /nfs/dbraw/zinc/98/90/90/1042989090.db2.gz FJLJEBIWNWBPGO-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000519643288 1042997448 /nfs/dbraw/zinc/99/74/48/1042997448.db2.gz CMWMGFUIYQMKNL-HXUWFJFHSA-N 1 0 305.425 4.414 20 30 DIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1OC(F)F ZINC000151395763 1043021656 /nfs/dbraw/zinc/02/16/56/1043021656.db2.gz BVOLAOWLTJEYOZ-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1cccc(C#N)c1)CCCO2 ZINC000151390824 1043022339 /nfs/dbraw/zinc/02/23/39/1043022339.db2.gz KVCZJZLQBHLXLK-LJQANCHMSA-N 1 0 306.409 4.179 20 30 DIEDRO Cc1ccc(C[NH2+]CC2CCC(C#N)CC2)c(Br)c1 ZINC000441380987 1043042067 /nfs/dbraw/zinc/04/20/67/1043042067.db2.gz LLOZQPCUZCDSPG-UHFFFAOYSA-N 1 0 321.262 4.177 20 30 DIEDRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000173882906 1043054881 /nfs/dbraw/zinc/05/48/81/1043054881.db2.gz CKTZSBIKLJCTRP-LAUBAEHRSA-N 1 0 319.452 4.046 20 30 DIEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000173918885 1043056082 /nfs/dbraw/zinc/05/60/82/1043056082.db2.gz JPOGEWISMHTTBL-GJZGRUSLSA-N 1 0 324.424 4.296 20 30 DIEDRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174368715 1043064892 /nfs/dbraw/zinc/06/48/92/1043064892.db2.gz KWJCETVWFLHMJQ-UHFFFAOYSA-N 1 0 312.413 4.211 20 30 DIEDRO CCC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H](O)c1ccccc1 ZINC000794831827 1043068304 /nfs/dbraw/zinc/06/83/04/1043068304.db2.gz RCEUBTZGBLMCEH-RYGJVYDSSA-N 1 0 308.425 4.111 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2c1NCCC2 ZINC000895024908 1043069471 /nfs/dbraw/zinc/06/94/71/1043069471.db2.gz KMVAZHZQLLLECE-FQEVSTJZSA-N 1 0 317.436 4.084 20 30 DIEDRO N#Cc1ccc(NCCCCC[NH+]2CCCCC2)cc1Cl ZINC000609517084 1043074361 /nfs/dbraw/zinc/07/43/61/1043074361.db2.gz LVFKWXRWIACOBN-UHFFFAOYSA-N 1 0 305.853 4.280 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000794834405 1043079997 /nfs/dbraw/zinc/07/99/97/1043079997.db2.gz NINOJLMGZFBMAV-WMLDXEAASA-N 1 0 323.864 4.020 20 30 DIEDRO CC(C)c1nnc(NC(=O)C[N@@H+]2CCCC23CCCCC3)s1 ZINC000328890865 1043080727 /nfs/dbraw/zinc/08/07/27/1043080727.db2.gz SAVYQGMIEMBQOG-UHFFFAOYSA-N 1 0 322.478 4.048 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)s1 ZINC000176944074 1043101755 /nfs/dbraw/zinc/10/17/55/1043101755.db2.gz FTHPZQJIOFTRRY-CQSZACIVSA-N 1 0 304.415 4.086 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccccc1 ZINC000865579321 1043115803 /nfs/dbraw/zinc/11/58/03/1043115803.db2.gz YGKVXJDNSYPWSI-KRWDZBQOSA-N 1 0 321.380 4.058 20 30 DIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000865606378 1043116418 /nfs/dbraw/zinc/11/64/18/1043116418.db2.gz XWUWEQDPTZRWSN-UHFFFAOYSA-N 1 0 300.427 4.087 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188606826 1043125036 /nfs/dbraw/zinc/12/50/36/1043125036.db2.gz VNNCXQPLFRIVQM-SOUVJXGZSA-N 1 0 307.400 4.195 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000178643516 1043134092 /nfs/dbraw/zinc/13/40/92/1043134092.db2.gz SOJAYXHRALOTFO-KBPBESRZSA-N 1 0 310.445 4.230 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000049160249 1043136103 /nfs/dbraw/zinc/13/61/03/1043136103.db2.gz NSNHQBJDPQGSQY-KGLIPLIRSA-N 1 0 300.427 4.371 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cc2cnccc2o1 ZINC000865855133 1043141312 /nfs/dbraw/zinc/14/13/12/1043141312.db2.gz VVGSPDLMLOITAE-CQSZACIVSA-N 1 0 317.392 4.234 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2cc3cnccc3o2)cc1 ZINC000865854210 1043141435 /nfs/dbraw/zinc/14/14/35/1043141435.db2.gz MZJAARLMCDSWCK-HNNXBMFYSA-N 1 0 320.392 4.081 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1Cl ZINC001252619647 1043145176 /nfs/dbraw/zinc/14/51/76/1043145176.db2.gz NWNJHWSYYBJKEV-NSHDSACASA-N 1 0 308.636 4.064 20 30 DIEDRO CC[N@H+](Cc1cnn(C(C)(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464643 1043147417 /nfs/dbraw/zinc/14/74/17/1043147417.db2.gz DPQJVMGWLSKYIR-HNNXBMFYSA-N 1 0 310.445 4.093 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866353209 1043185847 /nfs/dbraw/zinc/18/58/47/1043185847.db2.gz PTIHRQGPRYPTME-LRQRDZAKSA-N 1 0 324.468 4.127 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866351553 1043186486 /nfs/dbraw/zinc/18/64/86/1043186486.db2.gz BPIAERGDCKPUQG-HIFPTAJRSA-N 1 0 317.820 4.462 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc2c(ccnc2Cl)o1 ZINC000866362645 1043189755 /nfs/dbraw/zinc/18/97/55/1043189755.db2.gz CRXOBDUQOHBXLM-SRVKXCTJSA-N 1 0 303.793 4.214 20 30 DIEDRO C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000866362693 1043190124 /nfs/dbraw/zinc/19/01/24/1043190124.db2.gz CVCBWHBGHTYGRQ-GJYPPUQNSA-N 1 0 307.441 4.228 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000090883570 1043193073 /nfs/dbraw/zinc/19/30/73/1043193073.db2.gz PUUNRRXSNXDDFP-AWEZNQCLSA-N 1 0 316.470 4.362 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC[C@@H]2CCCS2)CC1 ZINC000866479902 1043208991 /nfs/dbraw/zinc/20/89/91/1043208991.db2.gz ANLZOCMATMWAIF-XBMUEBEBSA-N 1 0 314.498 4.266 20 30 DIEDRO CC(C)CCOC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186163717 1043217301 /nfs/dbraw/zinc/21/73/01/1043217301.db2.gz TVEJANNBIAEBKO-INIZCTEOSA-N 1 0 300.446 4.146 20 30 DIEDRO COCCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CCCCC1 ZINC000184719122 1043218535 /nfs/dbraw/zinc/21/85/35/1043218535.db2.gz ONVSNCMSTOABQN-INIZCTEOSA-N 1 0 300.446 4.196 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000866540137 1043218750 /nfs/dbraw/zinc/21/87/50/1043218750.db2.gz JNOUOSWRIOSUHQ-HNNXBMFYSA-N 1 0 300.358 4.293 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000866606630 1043232516 /nfs/dbraw/zinc/23/25/16/1043232516.db2.gz DCNKRZQIBOXPGM-LIRZEXBASA-N 1 0 318.848 4.232 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000866611202 1043234126 /nfs/dbraw/zinc/23/41/26/1043234126.db2.gz ZPQIXUJYWYJTFQ-GPJFCIFZSA-N 1 0 311.473 4.245 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cc2cnccc2o1 ZINC000866619469 1043238359 /nfs/dbraw/zinc/23/83/59/1043238359.db2.gz GKHWOKZQXFBVEU-PXAZEXFGSA-N 1 0 303.365 4.038 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)cc1 ZINC000237220721 1043255301 /nfs/dbraw/zinc/25/53/01/1043255301.db2.gz PWEOBPZYPIYWHB-NRFANRHFSA-N 1 0 323.436 4.194 20 30 DIEDRO FC(F)(F)CCON=C1CCCC[C@H]1[NH+]1CCCCCC1 ZINC000777459746 1043257165 /nfs/dbraw/zinc/25/71/65/1043257165.db2.gz UNYSUKXWQUSWAP-CQSZACIVSA-N 1 0 306.372 4.130 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000121771887 1043260041 /nfs/dbraw/zinc/26/00/41/1043260041.db2.gz TUWFWZLFIGXHKA-OALUTQOASA-N 1 0 324.424 4.020 20 30 DIEDRO C=CC[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191514825 1043261405 /nfs/dbraw/zinc/26/14/05/1043261405.db2.gz HQVIYIMPKMTHPH-UHFFFAOYSA-N 1 0 314.454 4.184 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]Cc1nccc2ccccc21 ZINC000067451029 1043269070 /nfs/dbraw/zinc/26/90/70/1043269070.db2.gz FOMBPBUFAPCUOZ-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1cc(C#N)cs1)CC2 ZINC000895131943 1043293451 /nfs/dbraw/zinc/29/34/51/1043293451.db2.gz VYYAAMAGMVARMQ-UHFFFAOYSA-N 1 0 321.449 4.260 20 30 DIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000266931747 1043304546 /nfs/dbraw/zinc/30/45/46/1043304546.db2.gz SWDKZQBAKVTIOV-QGZVFWFLSA-N 1 0 300.446 4.032 20 30 DIEDRO CC(C)(C#N)CCC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000267401607 1043306805 /nfs/dbraw/zinc/30/68/05/1043306805.db2.gz IYMXXULXWRUKAH-IBGZPJMESA-N 1 0 314.473 4.078 20 30 DIEDRO C=C(C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C)c1ccccc1 ZINC000268851804 1043337989 /nfs/dbraw/zinc/33/79/89/1043337989.db2.gz SVTFXZSAQJYHKF-KRWDZBQOSA-N 1 0 308.425 4.015 20 30 DIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C(C)C)cc1 ZINC000520900011 1043339754 /nfs/dbraw/zinc/33/97/54/1043339754.db2.gz HXSWPRYIJSHIJP-HXUWFJFHSA-N 1 0 324.424 4.062 20 30 DIEDRO C/C(=C\c1ccccc1)C[NH2+]CCSCc1ccccc1C#N ZINC000520954268 1043345629 /nfs/dbraw/zinc/34/56/29/1043345629.db2.gz RBJYCWBVCFVXJV-GHRIWEEISA-N 1 0 322.477 4.485 20 30 DIEDRO COc1cccc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)c1 ZINC000487417270 1043386061 /nfs/dbraw/zinc/38/60/61/1043386061.db2.gz SJECJIFPMDVRMH-UHFFFAOYSA-N 1 0 308.425 4.128 20 30 DIEDRO CC[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H](C)c1cccnc1 ZINC000521317910 1043387069 /nfs/dbraw/zinc/38/70/69/1043387069.db2.gz DSQQASYOXMDVRV-KRWDZBQOSA-N 1 0 323.440 4.347 20 30 DIEDRO C#CCCC[N@@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000271010111 1043399945 /nfs/dbraw/zinc/39/99/45/1043399945.db2.gz HSOSAEMPQWCXKR-UHFFFAOYSA-N 1 0 317.820 4.015 20 30 DIEDRO C#CCCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000271081872 1043403056 /nfs/dbraw/zinc/40/30/56/1043403056.db2.gz YOTBKGYRSCJQHG-UHFFFAOYSA-N 1 0 302.805 4.074 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000442721300 1043412794 /nfs/dbraw/zinc/41/27/94/1043412794.db2.gz SWCSPPRVCOKZPS-NQIIRXRSSA-N 1 0 320.436 4.185 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3cccc(C)c32)c1 ZINC000925418499 1043417059 /nfs/dbraw/zinc/41/70/59/1043417059.db2.gz KFYXSXIURDCLLU-QUCCMNQESA-N 1 0 320.436 4.453 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCCCC2)C1 ZINC000442775378 1043417125 /nfs/dbraw/zinc/41/71/25/1043417125.db2.gz BSGNLIRYDZOFCT-MAUKXSAKSA-N 1 0 300.421 4.309 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(C#N)cc1 ZINC000871937011 1043417450 /nfs/dbraw/zinc/41/74/50/1043417450.db2.gz QXAJBIZKGWMSIY-NEPJUHHUSA-N 1 0 319.330 4.384 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000442783501 1043418402 /nfs/dbraw/zinc/41/84/02/1043418402.db2.gz NSEMSDYUXNDLHW-IUODEOHRSA-N 1 0 310.363 4.265 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)c1cccc(OC)c1 ZINC000442796684 1043425488 /nfs/dbraw/zinc/42/54/88/1043425488.db2.gz GKPKGQHCWDEYMN-OAHLLOKOSA-N 1 0 324.424 4.159 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000442799184 1043425935 /nfs/dbraw/zinc/42/59/35/1043425935.db2.gz KAWIASIXDQDOEI-OAHLLOKOSA-N 1 0 319.408 4.022 20 30 DIEDRO C#CCCCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925525477 1043426419 /nfs/dbraw/zinc/42/64/19/1043426419.db2.gz BJFHCZUREDHCOH-FQEVSTJZSA-N 1 0 304.393 4.310 20 30 DIEDRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccc(C)cc2)cc1 ZINC000442796263 1043426658 /nfs/dbraw/zinc/42/66/58/1043426658.db2.gz VSIITXGINKSLIG-OZOXKJRCSA-N 1 0 320.436 4.375 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000271500958 1043426708 /nfs/dbraw/zinc/42/67/08/1043426708.db2.gz MBJSWCFUQLBORY-QAPCUYQASA-N 1 0 308.381 4.318 20 30 DIEDRO COc1cc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)ccc1C#N ZINC000442815555 1043428878 /nfs/dbraw/zinc/42/88/78/1043428878.db2.gz VLZTYQBWGBMCMN-HXUWFJFHSA-N 1 0 318.420 4.219 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000442817027 1043429764 /nfs/dbraw/zinc/42/97/64/1043429764.db2.gz LPSCNMPAQRAJEP-WOJBJXKFSA-N 1 0 320.436 4.090 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2nc(C3CCCCC3)cs2)C1 ZINC000442847724 1043431772 /nfs/dbraw/zinc/43/17/72/1043431772.db2.gz LTUCFGBIZQOHDR-DZGCQCFKSA-N 1 0 303.475 4.015 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000271524777 1043432601 /nfs/dbraw/zinc/43/26/01/1043432601.db2.gz OVYTXXVZWVSWPU-MGPUTAFESA-N 1 0 306.409 4.060 20 30 DIEDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)n(-c2ccccc2)n1 ZINC000925585048 1043432935 /nfs/dbraw/zinc/43/29/35/1043432935.db2.gz RSVJWFWPMJBCBF-RDJZCZTQSA-N 1 0 324.472 4.030 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442844182 1043434584 /nfs/dbraw/zinc/43/45/84/1043434584.db2.gz FORXYQNCUUGABY-VQIMIIECSA-N 1 0 301.393 4.007 20 30 DIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)CC(C)(C)C#N)c(C)c1 ZINC000925596485 1043435735 /nfs/dbraw/zinc/43/57/35/1043435735.db2.gz WQLORIJWCWTYGQ-PKOBYXMFSA-N 1 0 324.472 4.159 20 30 DIEDRO CCCOc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442863275 1043436280 /nfs/dbraw/zinc/43/62/80/1043436280.db2.gz QTSHRNMMFIDYFY-GTPINHCMSA-N 1 0 300.446 4.456 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(OCCOC)cc1)c1ccccc1 ZINC000271557469 1043437039 /nfs/dbraw/zinc/43/70/39/1043437039.db2.gz SZXCSYYTYHBSLC-UTKZUKDTSA-N 1 0 323.436 4.127 20 30 DIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000442872683 1043440762 /nfs/dbraw/zinc/44/07/62/1043440762.db2.gz IQIIRWUJIUHAKM-FAFZWHIHSA-N 1 0 302.437 4.312 20 30 DIEDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000558117306 1043442625 /nfs/dbraw/zinc/44/26/25/1043442625.db2.gz PJGIYCXRWBQFEI-DNVCBOLYSA-N 1 0 310.828 4.170 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccnn1CC1CCC1)c1ccccc1 ZINC000925638235 1043443119 /nfs/dbraw/zinc/44/31/19/1043443119.db2.gz YXWMJDWISXXTLU-APWZRJJASA-N 1 0 307.441 4.098 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1Cl ZINC000558157113 1043444468 /nfs/dbraw/zinc/44/44/68/1043444468.db2.gz MTFZZZXPLBJLTD-GFCCVEGCSA-N 1 0 302.780 4.396 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000442856354 1043445462 /nfs/dbraw/zinc/44/54/62/1043445462.db2.gz DFKISZLPDMYLJA-IUODEOHRSA-N 1 0 308.347 4.019 20 30 DIEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000442857751 1043445680 /nfs/dbraw/zinc/44/56/80/1043445680.db2.gz NRNONOZLCWHCKH-SWLSCSKDSA-N 1 0 310.363 4.265 20 30 DIEDRO COc1ccccc1C[C@@H]([NH2+]CC1CCC(C#N)CC1)C(C)C ZINC000442857838 1043446317 /nfs/dbraw/zinc/44/63/17/1043446317.db2.gz QFXUTRAOPMMXFB-FAFZWHIHSA-N 1 0 314.473 4.182 20 30 DIEDRO CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)[C@@H]1CCCOC1 ZINC000872073714 1043450426 /nfs/dbraw/zinc/45/04/26/1043450426.db2.gz QVFCGKTWNSSCJP-QYZOEREBSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000442891505 1043452058 /nfs/dbraw/zinc/45/20/58/1043452058.db2.gz NJKXIBVWMYWGLC-BBRMVZONSA-N 1 0 312.363 4.387 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000558180046 1043452848 /nfs/dbraw/zinc/45/28/48/1043452848.db2.gz MHNAJKRTBITAOX-GOSISDBHSA-N 1 0 324.424 4.159 20 30 DIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000925694751 1043454671 /nfs/dbraw/zinc/45/46/71/1043454671.db2.gz FLHMFPLDUKKCRH-LAUBAEHRSA-N 1 0 324.468 4.069 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(Cc3ccccc3F)CC2)c1 ZINC000558247328 1043470691 /nfs/dbraw/zinc/47/06/91/1043470691.db2.gz VYXRRTUXAHOJCX-UHFFFAOYSA-N 1 0 308.400 4.152 20 30 DIEDRO COc1cccc2cc([C@H](C)[NH2+]CC(C)(C)CCC#N)oc21 ZINC000558244798 1043471712 /nfs/dbraw/zinc/47/17/12/1043471712.db2.gz DGWRENQDVHWWLF-ZDUSSCGKSA-N 1 0 300.402 4.422 20 30 DIEDRO N#CC1CCC(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000443070558 1043476862 /nfs/dbraw/zinc/47/68/62/1043476862.db2.gz ZGELKPYVXAQTMK-UHFFFAOYSA-N 1 0 312.457 4.338 20 30 DIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000872139005 1043477745 /nfs/dbraw/zinc/47/77/45/1043477745.db2.gz CMQUHCXLJFCFPI-SNRMKQJTSA-N 1 0 303.421 4.075 20 30 DIEDRO N#CCCc1ccc(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000925823261 1043478464 /nfs/dbraw/zinc/47/84/64/1043478464.db2.gz QJIRLHYQZTUTSJ-PMACEKPBSA-N 1 0 305.425 4.048 20 30 DIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCCc2ccccc21 ZINC000521822006 1043486930 /nfs/dbraw/zinc/48/69/30/1043486930.db2.gz PCDNLMMQFJXELH-LJQANCHMSA-N 1 0 312.457 4.096 20 30 DIEDRO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000521821829 1043487766 /nfs/dbraw/zinc/48/77/66/1043487766.db2.gz YTARCSMNVVWFBN-UHFFFAOYSA-N 1 0 308.425 4.225 20 30 DIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2ccccc2[nH]1 ZINC000925927093 1043494250 /nfs/dbraw/zinc/49/42/50/1043494250.db2.gz XVRQSOWMLQVLNQ-CQSZACIVSA-N 1 0 301.393 4.379 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2ccccc2[nH]1 ZINC000925927090 1043495212 /nfs/dbraw/zinc/49/52/12/1043495212.db2.gz XVRQSOWMLQVLNQ-AWEZNQCLSA-N 1 0 301.393 4.379 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000124070165 1043495617 /nfs/dbraw/zinc/49/56/17/1043495617.db2.gz GDIUOKPNIUAUHA-FOIQADDNSA-N 1 0 324.399 4.454 20 30 DIEDRO CC1(C)C[C@H]([N@H+](CCCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000349388358 1043505158 /nfs/dbraw/zinc/50/51/58/1043505158.db2.gz WCDNNDRFGBJHKB-KRWDZBQOSA-N 1 0 300.446 4.138 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000558467463 1043516017 /nfs/dbraw/zinc/51/60/17/1043516017.db2.gz WNGMJCNLHKBWAP-KKXDTOCCSA-N 1 0 308.416 4.044 20 30 DIEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000349707775 1043518573 /nfs/dbraw/zinc/51/85/73/1043518573.db2.gz QAQSPYWOWVWQGQ-WMZOPIPTSA-N 1 0 300.446 4.380 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)ccc1C#N ZINC000873185632 1043525147 /nfs/dbraw/zinc/52/51/47/1043525147.db2.gz NODNUMUSHLYEGE-LBPRGKRZSA-N 1 0 319.330 4.131 20 30 DIEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Br)s1 ZINC000443343154 1043532534 /nfs/dbraw/zinc/53/25/34/1043532534.db2.gz MCQLZUSOLFUSQW-SNVBAGLBSA-N 1 0 315.280 4.491 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000777587543 1043534807 /nfs/dbraw/zinc/53/48/07/1043534807.db2.gz UOVKAHOTSSAZLK-IIBYNOLFSA-N 1 0 320.436 4.065 20 30 DIEDRO Cc1cc(F)cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c1 ZINC001143590323 1043560583 /nfs/dbraw/zinc/56/05/83/1043560583.db2.gz SXUMHQWLKBSQJG-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000124700574 1043561599 /nfs/dbraw/zinc/56/15/99/1043561599.db2.gz FVPMYPGLWIYNGH-IIBYNOLFSA-N 1 0 320.436 4.088 20 30 DIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(CF)cc1 ZINC000777595106 1043561873 /nfs/dbraw/zinc/56/18/73/1043561873.db2.gz UVJTUTRYLTWCSL-PMACEKPBSA-N 1 0 308.400 4.428 20 30 DIEDRO N#CCC1(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000926343488 1043565068 /nfs/dbraw/zinc/56/50/68/1043565068.db2.gz GESSETYBIJZFOZ-UHFFFAOYSA-N 1 0 316.289 4.323 20 30 DIEDRO Cc1ccc([C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c2ccccn2)cc1 ZINC000926334841 1043566173 /nfs/dbraw/zinc/56/61/73/1043566173.db2.gz ZUHOFXDSPITGRU-LPHOPBHVSA-N 1 0 307.441 4.397 20 30 DIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(-c2ccccc2)no1 ZINC000926355024 1043569256 /nfs/dbraw/zinc/56/92/56/1043569256.db2.gz AJLCYHFAUNCOSC-FHERZECASA-N 1 0 309.413 4.322 20 30 DIEDRO Cc1ccc([C@@H]([NH2+]CC2CCC(C#N)CC2)c2ccccn2)cc1 ZINC000926357275 1043570068 /nfs/dbraw/zinc/57/00/68/1043570068.db2.gz VVXFBBGCDCTBBL-WIXQSORDSA-N 1 0 319.452 4.399 20 30 DIEDRO C=C(C)CN1CC[C@]2(CCC[N@H+]2C[C@H](C)CCC=C(C)C)C1=O ZINC001275068313 1043571089 /nfs/dbraw/zinc/57/10/89/1043571089.db2.gz GGRDFUVYCHVCSO-UYAOXDASSA-N 1 0 318.505 4.012 20 30 DIEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C[C@H](CC)CCCC)CC2)C1=O ZINC001275081731 1043571924 /nfs/dbraw/zinc/57/19/24/1043571924.db2.gz IGBHEPXMJZQAMA-QUCCMNQESA-N 1 0 320.521 4.093 20 30 DIEDRO CCCCCCCCCCC[N@@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001275093237 1043572865 /nfs/dbraw/zinc/57/28/65/1043572865.db2.gz JWSBDQSTMYPMSN-LJQANCHMSA-N 1 0 308.510 4.071 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@]12CCN(CC(C)C)C2=O ZINC001275115723 1043577004 /nfs/dbraw/zinc/57/70/04/1043577004.db2.gz YMYFDYHJCBBTPC-IBGZPJMESA-N 1 0 308.510 4.070 20 30 DIEDRO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1 ZINC000558740131 1043583954 /nfs/dbraw/zinc/58/39/54/1043583954.db2.gz VXHBAJRMJWRVHK-WKCHPHFGSA-N 1 0 302.421 4.469 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000926482056 1043585239 /nfs/dbraw/zinc/58/52/39/1043585239.db2.gz XHVXJRSMKZYFOR-XUVXKRRUSA-N 1 0 311.473 4.028 20 30 DIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000353272299 1043596107 /nfs/dbraw/zinc/59/61/07/1043596107.db2.gz LNEBSALWOZJDKL-ROUUACIJSA-N 1 0 306.434 4.372 20 30 DIEDRO Cc1cc(C)cc([C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccnc2)c1 ZINC000926616109 1043607370 /nfs/dbraw/zinc/60/73/70/1043607370.db2.gz RMVVRXDEXSAHMR-DBVUQKKJSA-N 1 0 305.425 4.070 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc2ccccc2c(OC)c1 ZINC000926609802 1043607464 /nfs/dbraw/zinc/60/74/64/1043607464.db2.gz AYVFTEZROVQSRT-QOKNQOGYSA-N 1 0 311.425 4.090 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cc(C#N)ccc1OC ZINC000190503331 1043608146 /nfs/dbraw/zinc/60/81/46/1043608146.db2.gz WUWIIXYCEUVICS-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccco1 ZINC000353440568 1043608546 /nfs/dbraw/zinc/60/85/46/1043608546.db2.gz LHNGTCZLBJVXGW-SFHVURJKSA-N 1 0 307.397 4.262 20 30 DIEDRO CCCCCCCCCC(=O)NCc1ccc2c[nH+]cn2c1 ZINC001275236325 1043609722 /nfs/dbraw/zinc/60/97/22/1043609722.db2.gz AWWBKNVTMPGJJK-UHFFFAOYSA-N 1 0 301.434 4.091 20 30 DIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc(O)cc(F)c1 ZINC000926668623 1043614858 /nfs/dbraw/zinc/61/48/58/1043614858.db2.gz IXMWCFNYLONVSA-CYBMUJFWSA-N 1 0 310.372 4.133 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353582204 1043620440 /nfs/dbraw/zinc/62/04/40/1043620440.db2.gz PFNVLHRGGRHMOH-BFUOFWGJSA-N 1 0 322.456 4.156 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccco1 ZINC000353623741 1043625162 /nfs/dbraw/zinc/62/51/62/1043625162.db2.gz RUJPLHKXNSFIMD-JKSUJKDBSA-N 1 0 313.397 4.107 20 30 DIEDRO CC[C@@]1(C)CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000353686638 1043633925 /nfs/dbraw/zinc/63/39/25/1043633925.db2.gz KVWCCUOQJGXVGP-IBGZPJMESA-N 1 0 300.446 4.381 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@@H](C)c1cc(OC)no1)c1ccccc1 ZINC000926856750 1043644173 /nfs/dbraw/zinc/64/41/73/1043644173.db2.gz YYPVKPAROQHDHL-HOCLYGCPSA-N 1 0 300.402 4.431 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1C ZINC000926901732 1043652049 /nfs/dbraw/zinc/65/20/49/1043652049.db2.gz ADNXXYXLZILKLM-CVEARBPZSA-N 1 0 324.424 4.318 20 30 DIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1C ZINC000926903555 1043652802 /nfs/dbraw/zinc/65/28/02/1043652802.db2.gz WNFRDYWUBXYRPA-UONOGXRCSA-N 1 0 312.388 4.426 20 30 DIEDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353916929 1043657385 /nfs/dbraw/zinc/65/73/85/1043657385.db2.gz RYVNNXVUROMGJQ-OXQOHEQNSA-N 1 0 308.425 4.348 20 30 DIEDRO CCN(C)c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cn1 ZINC000353915921 1043657407 /nfs/dbraw/zinc/65/74/07/1043657407.db2.gz ONWAVMCPPWWSSB-LJQANCHMSA-N 1 0 322.456 4.062 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)[C@H]1CCCO1 ZINC000926979115 1043667071 /nfs/dbraw/zinc/66/70/71/1043667071.db2.gz WZLRUBKAPZCGQU-FJIDUMEYSA-N 1 0 321.411 4.139 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)cc1 ZINC000353981691 1043669317 /nfs/dbraw/zinc/66/93/17/1043669317.db2.gz WOBITMAWJKZCMX-FZKQIMNGSA-N 1 0 304.397 4.236 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000927037054 1043669723 /nfs/dbraw/zinc/66/97/23/1043669723.db2.gz MHSDJNDPHGEDDT-OCCSQVGLSA-N 1 0 304.434 4.166 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCc2cccnc21 ZINC000927063319 1043677306 /nfs/dbraw/zinc/67/73/06/1043677306.db2.gz DQECMKUYMQXJNQ-UXHICEINSA-N 1 0 317.436 4.388 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000927068958 1043681601 /nfs/dbraw/zinc/68/16/01/1043681601.db2.gz KDIMGWINAFUZNC-JBACZVJFSA-N 1 0 324.468 4.121 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000927114836 1043690926 /nfs/dbraw/zinc/69/09/26/1043690926.db2.gz HASXTNIHPUKSBI-JLTOFOAXSA-N 1 0 324.399 4.052 20 30 DIEDRO N#Cc1cc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cs1 ZINC000895469038 1043692317 /nfs/dbraw/zinc/69/23/17/1043692317.db2.gz YDABSDDVKDOMEB-UHFFFAOYSA-N 1 0 322.433 4.060 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccco1 ZINC000927126746 1043695539 /nfs/dbraw/zinc/69/55/39/1043695539.db2.gz ZPZPBZSGWUOQMX-MRXNPFEDSA-N 1 0 315.413 4.402 20 30 DIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000876592479 1043699433 /nfs/dbraw/zinc/69/94/33/1043699433.db2.gz SGPDXPSYHATKTF-HNNXBMFYSA-N 1 0 308.853 4.342 20 30 DIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1 ZINC000559130443 1043700546 /nfs/dbraw/zinc/70/05/46/1043700546.db2.gz RUWHMSKHALNUNF-KFWWJZLASA-N 1 0 311.454 4.168 20 30 DIEDRO C=CCCCCCC[N@H+]1CC[C@@]2(CCN(CC=C(C)C)C2=O)C1 ZINC001275329315 1043701652 /nfs/dbraw/zinc/70/16/52/1043701652.db2.gz RWTXRHBMYAIWGD-HXUWFJFHSA-N 1 0 318.505 4.014 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000876722142 1043706718 /nfs/dbraw/zinc/70/67/18/1043706718.db2.gz PEXGSXPSIRACGJ-KBXCAEBGSA-N 1 0 320.864 4.025 20 30 DIEDRO C[C@H](CCC#N)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000876803471 1043709666 /nfs/dbraw/zinc/70/96/66/1043709666.db2.gz IOIYCZDHSUQIAA-IKGGRYGDSA-N 1 0 320.502 4.356 20 30 DIEDRO C#CCCCCCC[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000876794966 1043710429 /nfs/dbraw/zinc/71/04/29/1043710429.db2.gz HZHZTLXPSOIRER-IIBYNOLFSA-N 1 0 305.487 4.001 20 30 DIEDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000354650658 1043712368 /nfs/dbraw/zinc/71/23/68/1043712368.db2.gz LCZARNYJSKPNFT-AWEZNQCLSA-N 1 0 314.351 4.190 20 30 DIEDRO N#Cc1csc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)c1 ZINC000185230215 1043712850 /nfs/dbraw/zinc/71/28/50/1043712850.db2.gz ZWIHLVWIJUIPFL-UHFFFAOYSA-N 1 0 300.402 4.014 20 30 DIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1 ZINC000187373376 1043733729 /nfs/dbraw/zinc/73/37/29/1043733729.db2.gz FXHBUVKEHAJMDC-LJQANCHMSA-N 1 0 315.363 4.307 20 30 DIEDRO C=CC[C@H]([NH2+]C[C@@H](OC(C)C)c1ccccc1)c1ccncc1 ZINC000877046531 1043738057 /nfs/dbraw/zinc/73/80/57/1043738057.db2.gz OYQPWFJUJBDYHK-VQTJNVASSA-N 1 0 310.441 4.455 20 30 DIEDRO C=CCC[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000355038445 1043739972 /nfs/dbraw/zinc/73/99/72/1043739972.db2.gz FIJRSJMPOMSXSP-OALUTQOASA-N 1 0 314.473 4.075 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000877093106 1043741359 /nfs/dbraw/zinc/74/13/59/1043741359.db2.gz FBFIORVGQRAPGB-RYUDHWBXSA-N 1 0 300.324 4.176 20 30 DIEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000355090740 1043742788 /nfs/dbraw/zinc/74/27/88/1043742788.db2.gz VFYBEDYPUCQWRT-BRWVUGGUSA-N 1 0 300.446 4.236 20 30 DIEDRO N#CCC1CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877191422 1043753890 /nfs/dbraw/zinc/75/38/90/1043753890.db2.gz UMZRVMQEUCNABI-UHFFFAOYSA-N 1 0 305.834 4.075 20 30 DIEDRO N#CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2F)cc1 ZINC001137119288 1043757671 /nfs/dbraw/zinc/75/76/71/1043757671.db2.gz DEEMKKLRNIRKLV-HXUWFJFHSA-N 1 0 324.399 4.455 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)cnc1Cl)[C@@H](C)Cc1ccsc1 ZINC000877439918 1043762373 /nfs/dbraw/zinc/76/23/73/1043762373.db2.gz HJURKISMQQABBT-LBPRGKRZSA-N 1 0 319.861 4.121 20 30 DIEDRO N#Cc1cnc(Cl)c(CN2CCC(c3ccsc3)CC2)c1 ZINC000877424750 1043762712 /nfs/dbraw/zinc/76/27/12/1043762712.db2.gz OMXYJUXRXDHJOL-UHFFFAOYSA-N 1 0 317.845 4.048 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000877475518 1043764153 /nfs/dbraw/zinc/76/41/53/1043764153.db2.gz RSRARYLOPBWBQS-GWCFXTLKSA-N 1 0 313.228 4.346 20 30 DIEDRO C[C@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000777701431 1043768894 /nfs/dbraw/zinc/76/88/94/1043768894.db2.gz MZJUIUJRHIBLDM-LBPRGKRZSA-N 1 0 315.367 4.071 20 30 DIEDRO CC[N@H+](CCC1CC1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000355509090 1043771659 /nfs/dbraw/zinc/77/16/59/1043771659.db2.gz KUXSBUNCLDCJLR-UHFFFAOYSA-N 1 0 322.456 4.086 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(C)c(C)c1 ZINC001137122439 1043777372 /nfs/dbraw/zinc/77/73/72/1043777372.db2.gz BDMMNFKHAONWHS-UHFFFAOYSA-N 1 0 308.425 4.228 20 30 DIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCC(C)(C)C1 ZINC000355590319 1043779551 /nfs/dbraw/zinc/77/95/51/1043779551.db2.gz ZWUZOAXLPMIQAN-KRWDZBQOSA-N 1 0 300.446 4.380 20 30 DIEDRO N#CCCCOc1cccc(C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000355735868 1043785259 /nfs/dbraw/zinc/78/52/59/1043785259.db2.gz UCQOIIAREQSXLT-UHFFFAOYSA-N 1 0 312.457 4.381 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1O ZINC000877756535 1043792129 /nfs/dbraw/zinc/79/21/29/1043792129.db2.gz PYFHVRLJELBUMZ-SRWJYRBRSA-N 1 0 320.436 4.447 20 30 DIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1O ZINC000877757327 1043792721 /nfs/dbraw/zinc/79/27/21/1043792721.db2.gz PYFHVRLJELBUMZ-AFJQURTJSA-N 1 0 320.436 4.447 20 30 DIEDRO COCC[N@H+](CCCCC1(C#N)CCC1)Cc1cccs1 ZINC000929144610 1043794195 /nfs/dbraw/zinc/79/41/95/1043794195.db2.gz LTCYUAGUNBBPKK-UHFFFAOYSA-N 1 0 306.475 4.061 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000267682045 1043797140 /nfs/dbraw/zinc/79/71/40/1043797140.db2.gz PMFDZKWSRDPLTJ-JLTOFOAXSA-N 1 0 306.409 4.295 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccccc1 ZINC000896020037 1043806144 /nfs/dbraw/zinc/80/61/44/1043806144.db2.gz ZMYPSZZRSFULIU-IBGZPJMESA-N 1 0 309.457 4.485 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000929297915 1043808084 /nfs/dbraw/zinc/80/80/84/1043808084.db2.gz MCLUYLGNPXRFKC-JTTJXQCZSA-N 1 0 318.848 4.043 20 30 DIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cncc(C#N)c1 ZINC000929373733 1043815178 /nfs/dbraw/zinc/81/51/78/1043815178.db2.gz ZMOTXVKVHVMOIV-LBPRGKRZSA-N 1 0 319.330 4.165 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC(OC3CCCC3)CC2)CCC1 ZINC000929430166 1043818528 /nfs/dbraw/zinc/81/85/28/1043818528.db2.gz XHEDESPZFAWZAY-UHFFFAOYSA-N 1 0 304.478 4.274 20 30 DIEDRO N#CC1(CCCCN2CCO[C@H](c3cccc(F)c3)C2)CCC1 ZINC000929488365 1043822060 /nfs/dbraw/zinc/82/20/60/1043822060.db2.gz NIKNPXFMVYJHCE-SFHVURJKSA-N 1 0 316.420 4.063 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[NH+](CC(C)C)CC(C)C)c1ccccc1 ZINC000877950348 1043829350 /nfs/dbraw/zinc/82/93/50/1043829350.db2.gz KHPUJZYCCAWVRW-FQEVSTJZSA-N 1 0 314.473 4.041 20 30 DIEDRO CC(=O)[C@](C#N)(CC[NH+](CC(C)C)CC(C)C)c1ccccc1 ZINC000877950349 1043829836 /nfs/dbraw/zinc/82/98/36/1043829836.db2.gz KHPUJZYCCAWVRW-HXUWFJFHSA-N 1 0 314.473 4.041 20 30 DIEDRO CC(F)(F)CCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000929669641 1043833046 /nfs/dbraw/zinc/83/30/46/1043833046.db2.gz WTYMOZPZTYZLPJ-UHFFFAOYSA-N 1 0 313.232 4.239 20 30 DIEDRO C#CCCCCC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000877990077 1043836276 /nfs/dbraw/zinc/83/62/76/1043836276.db2.gz NGILNWPNWWSPSF-RYUDHWBXSA-N 1 0 315.301 4.243 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000356399037 1043837808 /nfs/dbraw/zinc/83/78/08/1043837808.db2.gz SCQOOUNKRPETKC-UHFFFAOYSA-N 1 0 308.347 4.343 20 30 DIEDRO CCC(CC)[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878037407 1043843124 /nfs/dbraw/zinc/84/31/24/1043843124.db2.gz UNASPFADDKASPL-FQEVSTJZSA-N 1 0 312.457 4.080 20 30 DIEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCCCC1(C#N)CCC1 ZINC000929848988 1043843806 /nfs/dbraw/zinc/84/38/06/1043843806.db2.gz IJBQJBFUAPWANP-INIZCTEOSA-N 1 0 300.446 4.119 20 30 DIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC2(C1)CCCCC2)c1ccccc1 ZINC000878136039 1043850422 /nfs/dbraw/zinc/85/04/22/1043850422.db2.gz VKODUNXOGWDKLJ-OAQYLSRUSA-N 1 0 324.468 4.083 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929889735 1043852232 /nfs/dbraw/zinc/85/22/32/1043852232.db2.gz WIHLETXYRUBZMP-ZDUSSCGKSA-N 1 0 311.816 4.332 20 30 DIEDRO N#CCC1(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000878182187 1043855095 /nfs/dbraw/zinc/85/50/95/1043855095.db2.gz BVHSNYCZWJFBLI-MOPGFXCFSA-N 1 0 312.457 4.049 20 30 DIEDRO N#CC1(CCCC[NH2+][C@@H](Cn2cccn2)c2ccccc2)CCC1 ZINC000929995663 1043864139 /nfs/dbraw/zinc/86/41/39/1043864139.db2.gz SVYJMHBUAJXANK-IBGZPJMESA-N 1 0 322.456 4.078 20 30 DIEDRO CC[C@](C)([NH2+]Cc1c(C)cc(C#N)cc1C)c1nc(C)cs1 ZINC000930011180 1043866451 /nfs/dbraw/zinc/86/64/51/1043866451.db2.gz YOQDHNOYDRUQSZ-SFHVURJKSA-N 1 0 313.470 4.355 20 30 DIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)CC1CCC(C#N)CC1)CCC2 ZINC000930034598 1043869636 /nfs/dbraw/zinc/86/96/36/1043869636.db2.gz DGERRWRRFXAFMF-ZBCRRDGASA-N 1 0 317.502 4.345 20 30 DIEDRO C[N@@H+](Cc1cccc(C#N)c1)CC1CCC(C(F)(F)F)CC1 ZINC000185494936 1043881173 /nfs/dbraw/zinc/88/11/73/1043881173.db2.gz RIKMBPYECMBZAU-UHFFFAOYSA-N 1 0 310.363 4.359 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000356822576 1043882752 /nfs/dbraw/zinc/88/27/52/1043882752.db2.gz NPODRLDXIMZSTJ-HOTGVXAUSA-N 1 0 314.473 4.350 20 30 DIEDRO C[C@@H](CCO)[N@H+](CCCCC1(C#N)CCC1)Cc1ccccc1 ZINC000930177533 1043888014 /nfs/dbraw/zinc/88/80/14/1043888014.db2.gz NNYCNYHXHAFLHL-SFHVURJKSA-N 1 0 314.473 4.124 20 30 DIEDRO C#CCCCCC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000878427699 1043894157 /nfs/dbraw/zinc/89/41/57/1043894157.db2.gz NQYMWYGCUBGPIQ-MOPGFXCFSA-N 1 0 303.421 4.171 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000474706508 1043894181 /nfs/dbraw/zinc/89/41/81/1043894181.db2.gz HBHRHXLSDZYHGJ-JKSUJKDBSA-N 1 0 320.908 4.462 20 30 DIEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cncc(C#N)c2)cc1 ZINC000930215901 1043896457 /nfs/dbraw/zinc/89/64/57/1043896457.db2.gz QSNQDUAHCXHUPD-CQSZACIVSA-N 1 0 311.454 4.305 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCCC1(C#N)CCC1)c1nc(C2CC2)no1 ZINC000930237224 1043902062 /nfs/dbraw/zinc/90/20/62/1043902062.db2.gz REJFDTGUIBGURR-HNNXBMFYSA-N 1 0 316.449 4.098 20 30 DIEDRO CCSc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000185522625 1043902338 /nfs/dbraw/zinc/90/23/38/1043902338.db2.gz ZYTDLLQBWQXGFD-UHFFFAOYSA-N 1 0 300.402 4.099 20 30 DIEDRO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930308508 1043910614 /nfs/dbraw/zinc/91/06/14/1043910614.db2.gz PZIDAIYKMMGOES-KRWDZBQOSA-N 1 0 314.477 4.294 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1scnc1Cl)c1ccccc1 ZINC000878648948 1043911211 /nfs/dbraw/zinc/91/12/11/1043911211.db2.gz TYCDNKOOJMOWCR-ZDUSSCGKSA-N 1 0 305.834 4.321 20 30 DIEDRO CC1(C)CC[C@H](C[NH2+][C@H](CCCC#N)c2ccccc2)OC1 ZINC000878648514 1043911932 /nfs/dbraw/zinc/91/19/32/1043911932.db2.gz PHCSFLWXDWNJSP-QZTJIDSGSA-N 1 0 300.446 4.216 20 30 DIEDRO C=CCCC1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000474781966 1043916955 /nfs/dbraw/zinc/91/69/55/1043916955.db2.gz ANYORTHUTAIOLA-UHFFFAOYSA-N 1 0 312.457 4.357 20 30 DIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@H]1C1CCC1)c1ccccc1 ZINC000878771570 1043918438 /nfs/dbraw/zinc/91/84/38/1043918438.db2.gz OYPJGCSWIWRNEV-SFTDATJTSA-N 1 0 324.468 4.082 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930460046 1043928581 /nfs/dbraw/zinc/92/85/81/1043928581.db2.gz LLOBLFSMOZQNEP-ACHSLPGTSA-N 1 0 323.431 4.133 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2ccccc2OC)n1 ZINC000878991796 1043933933 /nfs/dbraw/zinc/93/39/33/1043933933.db2.gz NGNHMDPNPPLSGA-IYBDPMFKSA-N 1 0 310.397 4.033 20 30 DIEDRO CC(C)(C)SCCC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000879024623 1043938519 /nfs/dbraw/zinc/93/85/19/1043938519.db2.gz ZWAMPROSLHXMIT-UHFFFAOYSA-N 1 0 317.502 4.054 20 30 DIEDRO C[C@@H]1C[C@H](C[NH2+][C@H](CCCC#N)c2ccccc2)C[C@H](C)O1 ZINC000930569744 1043941484 /nfs/dbraw/zinc/94/14/84/1043941484.db2.gz ZHOHTLNNUJZBKC-VUHPKUFZSA-N 1 0 300.446 4.215 20 30 DIEDRO CC[C@](C)([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1 ZINC000879128811 1043947113 /nfs/dbraw/zinc/94/71/13/1043947113.db2.gz RAEZXTRZTQGHBK-IBGZPJMESA-N 1 0 312.388 4.143 20 30 DIEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000329159930 1043947332 /nfs/dbraw/zinc/94/73/32/1043947332.db2.gz XXIUONFUQCHMBZ-JKSUJKDBSA-N 1 0 317.477 4.070 20 30 DIEDRO C=CC(C)(C)CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000879176521 1043949008 /nfs/dbraw/zinc/94/90/08/1043949008.db2.gz YBPCWRWISFOFAP-QGZVFWFLSA-N 1 0 320.521 4.092 20 30 DIEDRO CC(C)(C#N)CC[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879159437 1043949141 /nfs/dbraw/zinc/94/91/41/1043949141.db2.gz VFDSGEURFPEFLR-UHFFFAOYSA-N 1 0 305.809 4.246 20 30 DIEDRO COc1ccc(Nc2ccccc2C[NH+]2CCCCC2)c(C#N)c1 ZINC001212783645 1043955112 /nfs/dbraw/zinc/95/51/12/1043955112.db2.gz ZUALSTKAKCHSAJ-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO Fc1ccc(C(F)(F)F)cc1C[NH2+]CCCC(F)(F)F ZINC000561522904 1043964436 /nfs/dbraw/zinc/96/44/36/1043964436.db2.gz PGNMUDIHIRCEJQ-UHFFFAOYSA-N 1 0 303.221 4.277 20 30 DIEDRO CC[C@H]([NH2+]CCCC(C)(C)C#N)c1cccc(OC)c1OC ZINC000879464557 1043967082 /nfs/dbraw/zinc/96/70/82/1043967082.db2.gz NJMZAJNNWVCCPF-HNNXBMFYSA-N 1 0 304.434 4.074 20 30 DIEDRO N#CC1(CCCC[NH+]2CCC3(CC2)C(F)(F)C3(F)F)CCC1 ZINC000930848907 1043967376 /nfs/dbraw/zinc/96/73/76/1043967376.db2.gz NHVUKVLSLYMNHO-UHFFFAOYSA-N 1 0 318.358 4.217 20 30 DIEDRO N#CC1(CC[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CCCCC1 ZINC000879672779 1043978959 /nfs/dbraw/zinc/97/89/59/1043978959.db2.gz VSBMPJUKYUKHDO-ZIAGYGMSSA-N 1 0 300.368 4.337 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@H](Cc2cccnc2)C2CCCC2)cc1 ZINC000879676735 1043981371 /nfs/dbraw/zinc/98/13/71/1043981371.db2.gz JVDAQEIHNQAZFR-OAQYLSRUSA-N 1 0 319.452 4.039 20 30 DIEDRO Cc1ccc(SC[C@@H](C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000185797286 1043987446 /nfs/dbraw/zinc/98/74/46/1043987446.db2.gz XTMNJYLXYBYMKZ-CYBMUJFWSA-N 1 0 302.468 4.199 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880103265 1044011183 /nfs/dbraw/zinc/01/11/83/1044011183.db2.gz NGFYSMUUTWYTNF-LBPRGKRZSA-N 1 0 319.330 4.131 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC001168045070 1044023419 /nfs/dbraw/zinc/02/34/19/1044023419.db2.gz VTYAKEKOHHYZSA-QGZVFWFLSA-N 1 0 317.477 4.011 20 30 DIEDRO C=CCC[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccccc1 ZINC000358179924 1044030761 /nfs/dbraw/zinc/03/07/61/1044030761.db2.gz RKEICMAJHWSKCU-UGKGYDQZSA-N 1 0 313.466 4.091 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccccc1 ZINC000880388130 1044037728 /nfs/dbraw/zinc/03/77/28/1044037728.db2.gz IHPRBFPFFOFRRX-FQEVSTJZSA-N 1 0 322.452 4.233 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387734 1044038017 /nfs/dbraw/zinc/03/80/17/1044038017.db2.gz MGBGJZWVCZTZAD-KRWDZBQOSA-N 1 0 302.487 4.497 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)nc1 ZINC000562042579 1044054321 /nfs/dbraw/zinc/05/43/21/1044054321.db2.gz DWOVAHCDJGLRKO-LJQANCHMSA-N 1 0 309.388 4.113 20 30 DIEDRO CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000562082398 1044063722 /nfs/dbraw/zinc/06/37/22/1044063722.db2.gz HBZIKPGXSJCYCK-JZXOWHBKSA-N 1 0 300.471 4.199 20 30 DIEDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000562088713 1044065555 /nfs/dbraw/zinc/06/55/55/1044065555.db2.gz IBVVYLSPENXDBO-IFZYUDKTSA-N 1 0 302.421 4.459 20 30 DIEDRO C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(C#N)cc1F ZINC000358579580 1044084501 /nfs/dbraw/zinc/08/45/01/1044084501.db2.gz WTPMEBWTAFKIKJ-AWEZNQCLSA-N 1 0 316.420 4.087 20 30 DIEDRO Cc1csc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001137161442 1044086972 /nfs/dbraw/zinc/08/69/72/1044086972.db2.gz DIRPEAMFUNSYGN-UHFFFAOYSA-N 1 0 314.429 4.253 20 30 DIEDRO C=CCCOCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000358966748 1044114925 /nfs/dbraw/zinc/11/49/25/1044114925.db2.gz PNFJOBBOGZXGII-MRXNPFEDSA-N 1 0 324.262 4.009 20 30 DIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000281394382 1044128610 /nfs/dbraw/zinc/12/86/10/1044128610.db2.gz YHIXHYLBWWWLCX-XIKOKIGWSA-N 1 0 310.372 4.044 20 30 DIEDRO CC[C@H](NCc1ccc(F)cc1C#N)c1cc(F)ccc1OC ZINC000932474810 1044133739 /nfs/dbraw/zinc/13/37/39/1044133739.db2.gz MAEWRIPOKNOOPL-KRWDZBQOSA-N 1 0 316.351 4.086 20 30 DIEDRO CSC[C@@H]([NH2+]CCCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000359216681 1044143249 /nfs/dbraw/zinc/14/32/49/1044143249.db2.gz FXQVKNWYSGMMHU-CQSZACIVSA-N 1 0 316.392 4.393 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000562647487 1044146570 /nfs/dbraw/zinc/14/65/70/1044146570.db2.gz AQFSEDGMYFEZCH-UHFFFAOYSA-N 1 0 310.372 4.354 20 30 DIEDRO CSCC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000932588789 1044147915 /nfs/dbraw/zinc/14/79/15/1044147915.db2.gz CXSLWTSIZZUNHG-UHFFFAOYSA-N 1 0 302.487 4.063 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cc(F)ccc1F ZINC000281615575 1044168420 /nfs/dbraw/zinc/16/84/20/1044168420.db2.gz GZMBQVJGDHOIRW-KRWDZBQOSA-N 1 0 316.351 4.086 20 30 DIEDRO C#CCC1([NH2+]Cc2coc(-c3ccccc3OC)n2)CCCCC1 ZINC000933265637 1044190191 /nfs/dbraw/zinc/19/01/91/1044190191.db2.gz HHZNQVBTDVETQH-UHFFFAOYSA-N 1 0 324.424 4.166 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000130145454 1044194558 /nfs/dbraw/zinc/19/45/58/1044194558.db2.gz LNNPUVFXXYLXBW-OAHLLOKOSA-N 1 0 324.399 4.281 20 30 DIEDRO CC(C)(C)OC1CC([NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC000933606927 1044201389 /nfs/dbraw/zinc/20/13/89/1044201389.db2.gz MJVNNEKPCWVCQC-UHFFFAOYSA-N 1 0 312.457 4.084 20 30 DIEDRO C[C@@H](c1ccc(F)nc1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933608443 1044202318 /nfs/dbraw/zinc/20/23/18/1044202318.db2.gz ZWQIUJPPERNJSF-AWEZNQCLSA-N 1 0 309.388 4.033 20 30 DIEDRO Cc1nc(C)c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC000933613420 1044203411 /nfs/dbraw/zinc/20/34/11/1044203411.db2.gz XCVLTLHIXPVELU-UHFFFAOYSA-N 1 0 311.454 4.011 20 30 DIEDRO C[C@H](c1cccc2ccccc21)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653950 1044204538 /nfs/dbraw/zinc/20/45/38/1044204538.db2.gz ZDWSRXGHMIQZQL-MRXNPFEDSA-N 1 0 321.420 4.239 20 30 DIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000347243952 1044215185 /nfs/dbraw/zinc/21/51/85/1044215185.db2.gz CXUJLWDMVLHNHW-RHSMWYFYSA-N 1 0 310.397 4.133 20 30 DIEDRO CCC[C@](C)([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000934187224 1044231714 /nfs/dbraw/zinc/23/17/14/1044231714.db2.gz UNIAKNVJLWIOFD-FQEVSTJZSA-N 1 0 308.425 4.394 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)n1 ZINC000360061756 1044233118 /nfs/dbraw/zinc/23/31/18/1044233118.db2.gz BYDWVBYDWFHUAR-UHFFFAOYSA-N 1 0 307.441 4.228 20 30 DIEDRO C=CCCC[C@@H]([NH2+]CCc1nnc(C)s1)c1ccccc1 ZINC000883223367 1044238959 /nfs/dbraw/zinc/23/89/59/1044238959.db2.gz NTZXWEPDLTZVMU-MRXNPFEDSA-N 1 0 301.459 4.076 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)nc1 ZINC000934341383 1044239980 /nfs/dbraw/zinc/23/99/80/1044239980.db2.gz JVFXRFSEYLGWRP-SFHVURJKSA-N 1 0 313.445 4.091 20 30 DIEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+]Cc1nn(C)cc1C(F)F ZINC000883242625 1044243632 /nfs/dbraw/zinc/24/36/32/1044243632.db2.gz MEYHAUXTSYPFOT-HNNXBMFYSA-N 1 0 319.399 4.025 20 30 DIEDRO C=CCCC[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccccc1 ZINC000883325240 1044272958 /nfs/dbraw/zinc/27/29/58/1044272958.db2.gz URGWZAWKIGLCAH-QGZVFWFLSA-N 1 0 314.454 4.034 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2Cc3ccccc32)ccc1OC ZINC000237412065 1044273405 /nfs/dbraw/zinc/27/34/05/1044273405.db2.gz CUVYAGQSOYTXBH-SFHVURJKSA-N 1 0 323.436 4.080 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnc(Cl)n1C)c1ccccc1 ZINC000883324851 1044274658 /nfs/dbraw/zinc/27/46/58/1044274658.db2.gz GUDKHJKADOVOFE-INIZCTEOSA-N 1 0 303.837 4.261 20 30 DIEDRO COc1cccc2c1OCCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000883330713 1044276649 /nfs/dbraw/zinc/27/66/49/1044276649.db2.gz KFUXMRWZVZIJRB-KBXCAEBGSA-N 1 0 322.408 4.131 20 30 DIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc(Cl)c(N)c(Cl)c1 ZINC000840786483 1044284138 /nfs/dbraw/zinc/28/41/38/1044284138.db2.gz QKOPTWPGASHNFD-SECBINFHSA-N 1 0 300.233 4.166 20 30 DIEDRO C=C(C)c1cccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000934874647 1044290674 /nfs/dbraw/zinc/29/06/74/1044290674.db2.gz NOGFHXIRONFXMV-UHFFFAOYSA-N 1 0 315.461 4.104 20 30 DIEDRO C=C(C)c1cccc(NC(=O)N2CCC(CC)([NH+](C)C)CC2)c1 ZINC000934884957 1044293140 /nfs/dbraw/zinc/29/31/40/1044293140.db2.gz AVMZETSUBRKSPK-UHFFFAOYSA-N 1 0 315.461 4.058 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nc(C2CC2)cs1 ZINC000360647020 1044294517 /nfs/dbraw/zinc/29/45/17/1044294517.db2.gz LJXSLOOABNBTIR-KRWDZBQOSA-N 1 0 323.465 4.449 20 30 DIEDRO CCSCC[C@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360646341 1044294757 /nfs/dbraw/zinc/29/47/57/1044294757.db2.gz HUDOGEUKBUVMBI-KBXCAEBGSA-N 1 0 302.487 4.447 20 30 DIEDRO CCC(CC)(CCO)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360654768 1044296706 /nfs/dbraw/zinc/29/67/06/1044296706.db2.gz ACEJIQXQNCHGPZ-LJQANCHMSA-N 1 0 314.473 4.104 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000360657928 1044296797 /nfs/dbraw/zinc/29/67/97/1044296797.db2.gz PRFBRLUBAIFHHA-GOSISDBHSA-N 1 0 321.380 4.024 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1 ZINC000563663410 1044299657 /nfs/dbraw/zinc/29/96/57/1044299657.db2.gz PPJWTTQIZYXUAB-UHFFFAOYSA-N 1 0 318.392 4.278 20 30 DIEDRO COc1cc(C)c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000186193912 1044304293 /nfs/dbraw/zinc/30/42/93/1044304293.db2.gz HUOJOFWKJBNDEF-OAHLLOKOSA-N 1 0 324.424 4.077 20 30 DIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2C)s1 ZINC000186239777 1044308461 /nfs/dbraw/zinc/30/84/61/1044308461.db2.gz BOYUDXPRCIJPSC-AWEZNQCLSA-N 1 0 313.470 4.387 20 30 DIEDRO CCCCOCCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360841852 1044316886 /nfs/dbraw/zinc/31/68/86/1044316886.db2.gz UKQWSGDJRCSUGT-LJQANCHMSA-N 1 0 300.446 4.122 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)cc1C#N ZINC000132326881 1044321168 /nfs/dbraw/zinc/32/11/68/1044321168.db2.gz VFAAVGKLZMONOI-IFXJQAMLSA-N 1 0 306.409 4.295 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)cc1C#N ZINC000132326268 1044321328 /nfs/dbraw/zinc/32/13/28/1044321328.db2.gz VFAAVGKLZMONOI-KUHUBIRLSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1nccs1 ZINC000360883701 1044322413 /nfs/dbraw/zinc/32/24/13/1044322413.db2.gz LADVMOPIORKOIO-GUYCJALGSA-N 1 0 311.454 4.176 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c1F ZINC000475201058 1044322908 /nfs/dbraw/zinc/32/29/08/1044322908.db2.gz GJNPNTVOHWFAAM-APWZRJJASA-N 1 0 308.400 4.198 20 30 DIEDRO C=CCOc1ccc(C[NH2+]CC2(C(F)F)CC2)cc1Cl ZINC000475213242 1044327856 /nfs/dbraw/zinc/32/78/56/1044327856.db2.gz CYWTZIKJUYPUDZ-UHFFFAOYSA-N 1 0 301.764 4.040 20 30 DIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000348244242 1044346436 /nfs/dbraw/zinc/34/64/36/1044346436.db2.gz NCHWEVDWTSQALY-SFHVURJKSA-N 1 0 322.456 4.169 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000935606875 1044349951 /nfs/dbraw/zinc/34/99/51/1044349951.db2.gz VXTIXPONGPCMFK-GOSISDBHSA-N 1 0 314.473 4.350 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001253254873 1044351576 /nfs/dbraw/zinc/35/15/76/1044351576.db2.gz UTPNEGRFCMCLDE-HOTGVXAUSA-N 1 0 303.437 4.289 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000475307670 1044351648 /nfs/dbraw/zinc/35/16/48/1044351648.db2.gz FPYAPKHIVNHVAD-WHSLLNHNSA-N 1 0 320.436 4.443 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)CCC#N)CCS2 ZINC000348248557 1044354649 /nfs/dbraw/zinc/35/46/49/1044354649.db2.gz XDDBYUPLQZLXBY-OAHLLOKOSA-N 1 0 304.459 4.152 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000475342869 1044370994 /nfs/dbraw/zinc/37/09/94/1044370994.db2.gz MDHUOURUTUSLPW-MAUKXSAKSA-N 1 0 312.363 4.262 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCc3c(F)cccc32)cc1 ZINC001202612260 1044373066 /nfs/dbraw/zinc/37/30/66/1044373066.db2.gz UVKPCIMZMXSHEI-NRFANRHFSA-N 1 0 323.411 4.395 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000564420527 1044376041 /nfs/dbraw/zinc/37/60/41/1044376041.db2.gz YSWZOPCXLUCTCO-QGZVFWFLSA-N 1 0 316.326 4.354 20 30 DIEDRO N#Cc1ccc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)nc1 ZINC000564515758 1044387127 /nfs/dbraw/zinc/38/71/27/1044387127.db2.gz MRRRZPCSYQSMDF-HXUWFJFHSA-N 1 0 316.408 4.162 20 30 DIEDRO Cc1nc2ccccc2n1CCCCC[N@H+](CCC#N)CC1CC1 ZINC000361309193 1044390608 /nfs/dbraw/zinc/39/06/08/1044390608.db2.gz NWUHLUKBNFMOIY-UHFFFAOYSA-N 1 0 324.472 4.141 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(F)c2ccccc21 ZINC000564679814 1044398373 /nfs/dbraw/zinc/39/83/73/1044398373.db2.gz HVTVGUWSHZALHH-CYBMUJFWSA-N 1 0 307.372 4.040 20 30 DIEDRO CCC1(Cc2ccccc2)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000361480390 1044407452 /nfs/dbraw/zinc/40/74/52/1044407452.db2.gz CEZNURSJAYQACN-IBGZPJMESA-N 1 0 309.457 4.165 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000565353374 1044429218 /nfs/dbraw/zinc/42/92/18/1044429218.db2.gz ZPAMXYLKRBSXQT-UNEWFSDZSA-N 1 0 301.821 4.009 20 30 DIEDRO N#CCc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000565618641 1044445677 /nfs/dbraw/zinc/44/56/77/1044445677.db2.gz CQCLEAFFDFCNJK-IBGZPJMESA-N 1 0 322.477 4.367 20 30 DIEDRO CC[C@H](c1ccccc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000565619114 1044445919 /nfs/dbraw/zinc/44/59/19/1044445919.db2.gz FVKDREVBMBPVII-HXUWFJFHSA-N 1 0 308.425 4.158 20 30 DIEDRO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000565738381 1044453104 /nfs/dbraw/zinc/45/31/04/1044453104.db2.gz STJYHBSXYRYSOR-MGPUTAFESA-N 1 0 322.452 4.283 20 30 DIEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC001202676351 1044460388 /nfs/dbraw/zinc/46/03/88/1044460388.db2.gz KTXCAFJUOYFTJD-VQIMIIECSA-N 1 0 300.446 4.428 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000565976640 1044467047 /nfs/dbraw/zinc/46/70/47/1044467047.db2.gz BOVZXCXVUPGPPU-GOSISDBHSA-N 1 0 324.424 4.159 20 30 DIEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000566068064 1044472657 /nfs/dbraw/zinc/47/26/57/1044472657.db2.gz QMRSLZUKQOOJEC-JLTOFOAXSA-N 1 0 308.400 4.305 20 30 DIEDRO N#CCCC1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000566248063 1044478444 /nfs/dbraw/zinc/47/84/44/1044478444.db2.gz KLCLJPPRZPUWSP-UHFFFAOYSA-N 1 0 305.425 4.264 20 30 DIEDRO CC(C)c1cccc(NC(=[NH2+])NCCc2c[nH]c3ccccc23)c1 ZINC000303717980 1044504705 /nfs/dbraw/zinc/50/47/05/1044504705.db2.gz UNZVHWTXYZYQBF-UHFFFAOYSA-N 1 0 320.440 4.261 20 30 DIEDRO Cc1cccc(NC(=[NH2+])NCCCSc2ccc(F)cc2)c1 ZINC000303784608 1044509489 /nfs/dbraw/zinc/50/94/89/1044509489.db2.gz PLBBIXLUOVXIJP-UHFFFAOYSA-N 1 0 317.433 4.043 20 30 DIEDRO C=CC(C)(C)CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001625948379 1044531424 /nfs/dbraw/zinc/53/14/24/1044531424.db2.gz LOJBJHLOAXXHPN-UHFFFAOYSA-N 1 0 314.473 4.459 20 30 DIEDRO C[C@H](NCc1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000614800112 1044537166 /nfs/dbraw/zinc/53/71/66/1044537166.db2.gz GPFHTHDSLBKBQX-JTQLQIEISA-N 1 0 306.196 4.111 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000567169741 1044546033 /nfs/dbraw/zinc/54/60/33/1044546033.db2.gz IVRTXZGRXUWVED-CTNGQTDRSA-N 1 0 317.436 4.046 20 30 DIEDRO COCCCC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000348333623 1044550562 /nfs/dbraw/zinc/55/05/62/1044550562.db2.gz ZZMBMZGDGHASSI-OAQYLSRUSA-N 1 0 322.452 4.400 20 30 DIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)ccc1C#N ZINC000567203445 1044551390 /nfs/dbraw/zinc/55/13/90/1044551390.db2.gz PJPPXVCXQZHHAR-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000362903006 1044562043 /nfs/dbraw/zinc/56/20/43/1044562043.db2.gz YMCYCVBAQLWVRN-OAHLLOKOSA-N 1 0 307.235 4.280 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCCc2nc(Cl)ccc21)c1ccc(C#N)cc1 ZINC000295861777 1044568529 /nfs/dbraw/zinc/56/85/29/1044568529.db2.gz GPZZBWDBPLYHKW-BLLLJJGKSA-N 1 0 311.816 4.335 20 30 DIEDRO CSCC[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444648485 1044582155 /nfs/dbraw/zinc/58/21/55/1044582155.db2.gz NTAMRWMYIYGULK-UHFFFAOYSA-N 1 0 324.493 4.181 20 30 DIEDRO Cc1ccccc1[C@@H]1C[N@H+](CCCCC(C)(C)C#N)[C@H](C)CO1 ZINC000444652875 1044586924 /nfs/dbraw/zinc/58/69/24/1044586924.db2.gz KIXXOUMELJXGJB-MJGOQNOKSA-N 1 0 314.473 4.477 20 30 DIEDRO Cc1ccccc1[C@@H]1C[N@H+](CCCCC(C)(C)C#N)[C@@H](C)CO1 ZINC000444652866 1044587044 /nfs/dbraw/zinc/58/70/44/1044587044.db2.gz KIXXOUMELJXGJB-HKUYNNGSSA-N 1 0 314.473 4.477 20 30 DIEDRO C[C@@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccc(C#N)cc1 ZINC000363169359 1044591330 /nfs/dbraw/zinc/59/13/30/1044591330.db2.gz PIVMDNGYBQINNU-OAHLLOKOSA-N 1 0 323.415 4.017 20 30 DIEDRO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000444673573 1044596485 /nfs/dbraw/zinc/59/64/85/1044596485.db2.gz NDSJRHWGCZLGRO-GOSISDBHSA-N 1 0 313.489 4.307 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000444688762 1044603719 /nfs/dbraw/zinc/60/37/19/1044603719.db2.gz KWSYZIXHXYJOAS-LJQANCHMSA-N 1 0 314.473 4.040 20 30 DIEDRO C=C(C)C[C@@H](C)c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000568441978 1044625931 /nfs/dbraw/zinc/62/59/31/1044625931.db2.gz SBQHBUZHCHNTKL-GFCCVEGCSA-N 1 0 303.381 4.007 20 30 DIEDRO N#CCCC[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccccc1 ZINC000886216242 1044627178 /nfs/dbraw/zinc/62/71/78/1044627178.db2.gz ZRIIBIVEVDOEBI-RTBURBONSA-N 1 0 312.457 4.360 20 30 DIEDRO C=CCN1CC[C@@]2(CC[N@@H+](C/C=C/CCCCCCC)C2)C1=O ZINC001275840782 1044629138 /nfs/dbraw/zinc/62/91/38/1044629138.db2.gz RHHZXXVFITVXRT-CTDFXDFQSA-N 1 0 318.505 4.014 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2nnc(C3CC3)n2C2CC2)CCCC1(C)C ZINC000444793900 1044630469 /nfs/dbraw/zinc/63/04/69/1044630469.db2.gz UKBYEYIPTRLUPZ-MRXNPFEDSA-N 1 0 314.477 4.057 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2csc([C@H](C)OC)n2)CCCC1(C)C ZINC000444786990 1044630543 /nfs/dbraw/zinc/63/05/43/1044630543.db2.gz PPBCWQVAOPRVHM-DZGCQCFKSA-N 1 0 308.491 4.417 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2csc([C@H](C)OC)n2)CCCC1(C)C ZINC000444786993 1044630790 /nfs/dbraw/zinc/63/07/90/1044630790.db2.gz PPBCWQVAOPRVHM-ZFWWWQNUSA-N 1 0 308.491 4.417 20 30 DIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCc3c4cc(F)ccc4[nH]c32)c1 ZINC000886501268 1044649086 /nfs/dbraw/zinc/64/90/86/1044649086.db2.gz DDLYVINLXAGKIZ-LJQANCHMSA-N 1 0 319.383 4.346 20 30 DIEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC[C@H](C)CC(C)(C)C)C1=O ZINC001275888715 1044661135 /nfs/dbraw/zinc/66/11/35/1044661135.db2.gz KKAUYGBEQWITKO-PXNSSMCTSA-N 1 0 320.521 4.092 20 30 DIEDRO CCCCOc1ncccc1C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000568954237 1044661887 /nfs/dbraw/zinc/66/18/87/1044661887.db2.gz QJUBFSRVXKWTQT-IBGZPJMESA-N 1 0 323.440 4.373 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000523581517 1044664523 /nfs/dbraw/zinc/66/45/23/1044664523.db2.gz UTQNHZUNWAKRCC-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO C=CC1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000523605588 1044664727 /nfs/dbraw/zinc/66/47/27/1044664727.db2.gz CPDORMOCSUVNNP-UHFFFAOYSA-N 1 0 302.418 4.347 20 30 DIEDRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000886614474 1044668652 /nfs/dbraw/zinc/66/86/52/1044668652.db2.gz YCNDWEWHNJZYEY-GUDVDZBRSA-N 1 0 300.446 4.359 20 30 DIEDRO C=CCCCC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000569075462 1044672612 /nfs/dbraw/zinc/67/26/12/1044672612.db2.gz QDZGWQFIYKKVAU-UHFFFAOYSA-N 1 0 309.457 4.452 20 30 DIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)CC2 ZINC000886687682 1044680632 /nfs/dbraw/zinc/68/06/32/1044680632.db2.gz BXLHBAYZVWNCJT-SFHVURJKSA-N 1 0 324.449 4.066 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cn2)cc1C#N ZINC000886690081 1044680962 /nfs/dbraw/zinc/68/09/62/1044680962.db2.gz NVMMZQKBODMYGZ-NSHDSACASA-N 1 0 317.845 4.179 20 30 DIEDRO CSc1ccc(C[NH2+][C@H](C)CCCC(F)(F)F)cc1C#N ZINC000886689800 1044681360 /nfs/dbraw/zinc/68/13/60/1044681360.db2.gz HVPYCEGFWPUODU-LLVKDONJSA-N 1 0 316.392 4.491 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1C#N ZINC000886689612 1044681651 /nfs/dbraw/zinc/68/16/51/1044681651.db2.gz DMJYISNWWVOXOO-GOSISDBHSA-N 1 0 324.449 4.153 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)c1ccc(C#N)cc1 ZINC000886690182 1044681782 /nfs/dbraw/zinc/68/17/82/1044681782.db2.gz QRUJECRTFVXMPS-GOSISDBHSA-N 1 0 321.449 4.393 20 30 DIEDRO C=CCC[C@@H](C(=O)OCc1cccc2nccn21)c1ccccc1 ZINC000778688538 1044683076 /nfs/dbraw/zinc/68/30/76/1044683076.db2.gz OXZWOWADEJFUIJ-GOSISDBHSA-N 1 0 320.392 4.128 20 30 DIEDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCCSCC#N)C2CC2)o1 ZINC000074980544 1044686652 /nfs/dbraw/zinc/68/66/52/1044686652.db2.gz POLSTYLQSLFLFO-BBRMVZONSA-N 1 0 304.459 4.014 20 30 DIEDRO C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000886773848 1044695029 /nfs/dbraw/zinc/69/50/29/1044695029.db2.gz CDVLPKUUDNQLMG-KSSFIOAISA-N 1 0 316.420 4.087 20 30 DIEDRO CC[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000886773773 1044695517 /nfs/dbraw/zinc/69/55/17/1044695517.db2.gz AQFVYPUCVHNYOS-OALUTQOASA-N 1 0 312.457 4.338 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)Cc2ccc(C)s2)c1 ZINC000524114598 1044740261 /nfs/dbraw/zinc/74/02/61/1044740261.db2.gz BQCQNMBATPYMRG-AWEZNQCLSA-N 1 0 301.455 4.342 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)Cc2ccc(C)s2)c1 ZINC000524114599 1044740559 /nfs/dbraw/zinc/74/05/59/1044740559.db2.gz BQCQNMBATPYMRG-CQSZACIVSA-N 1 0 301.455 4.342 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044506 1044746240 /nfs/dbraw/zinc/74/62/40/1044746240.db2.gz QQGZEEAAUMYJPK-AWEZNQCLSA-N 1 0 301.459 4.082 20 30 DIEDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367803059 1044756410 /nfs/dbraw/zinc/75/64/10/1044756410.db2.gz QRIDCRKLGQMILO-OAHLLOKOSA-N 1 0 306.409 4.055 20 30 DIEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000570606433 1044769303 /nfs/dbraw/zinc/76/93/03/1044769303.db2.gz PRZVZTMNRBCPRZ-KRWDZBQOSA-N 1 0 300.427 4.211 20 30 DIEDRO CCn1c2ccccc2nc1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000570632793 1044772126 /nfs/dbraw/zinc/77/21/26/1044772126.db2.gz OINCFLUYGYIRLA-HNNXBMFYSA-N 1 0 318.424 4.121 20 30 DIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000524251909 1044779577 /nfs/dbraw/zinc/77/95/77/1044779577.db2.gz RUJWZDHSSCXHQP-IEBWSBKVSA-N 1 0 320.436 4.124 20 30 DIEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000123328138 1044784049 /nfs/dbraw/zinc/78/40/49/1044784049.db2.gz PQKUFDYKLQRHBD-VQIMIIECSA-N 1 0 321.424 4.038 20 30 DIEDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000123327906 1044784731 /nfs/dbraw/zinc/78/47/31/1044784731.db2.gz PQKUFDYKLQRHBD-QFBILLFUSA-N 1 0 321.424 4.038 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000475633563 1044794358 /nfs/dbraw/zinc/79/43/58/1044794358.db2.gz GTOKOXZLODFXKF-YGRLFVJLSA-N 1 0 321.770 4.337 20 30 DIEDRO COc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000571170965 1044799331 /nfs/dbraw/zinc/79/93/31/1044799331.db2.gz AUVPCPDQUIVJBQ-LJQANCHMSA-N 1 0 312.388 4.359 20 30 DIEDRO C=CCC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccco1 ZINC000571427301 1044813847 /nfs/dbraw/zinc/81/38/47/1044813847.db2.gz AYTRYPOEGLYKHM-SFHVURJKSA-N 1 0 316.420 4.148 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)c1ccc(C#N)cc1 ZINC000369754818 1044815640 /nfs/dbraw/zinc/81/56/40/1044815640.db2.gz ZJWPQZLFMCRCDG-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C=C(C)C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000126950726 1044816264 /nfs/dbraw/zinc/81/62/64/1044816264.db2.gz UAEXKHIELLWSDN-UHFFFAOYSA-N 1 0 305.809 4.177 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000264121810 1044854217 /nfs/dbraw/zinc/85/42/17/1044854217.db2.gz KTDOBBDSNOEKJC-MRXNPFEDSA-N 1 0 319.408 4.044 20 30 DIEDRO CC[C@H](C)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000572751573 1044874586 /nfs/dbraw/zinc/87/45/86/1044874586.db2.gz MZVYFZZRFZNSAG-JJRVBVJISA-N 1 0 303.837 4.460 20 30 DIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 ZINC000572756799 1044874818 /nfs/dbraw/zinc/87/48/18/1044874818.db2.gz BWCZNMPCQJGVDQ-NRFANRHFSA-N 1 0 320.436 4.084 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000264386463 1044876684 /nfs/dbraw/zinc/87/66/84/1044876684.db2.gz QOYIEXMIGHZTJM-MRXNPFEDSA-N 1 0 322.408 4.005 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572841319 1044877910 /nfs/dbraw/zinc/87/79/10/1044877910.db2.gz OLCYLFRKEDRIBU-LJQANCHMSA-N 1 0 323.396 4.292 20 30 DIEDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264557940 1044893510 /nfs/dbraw/zinc/89/35/10/1044893510.db2.gz NNTHMQHOXONECP-CYBMUJFWSA-N 1 0 316.351 4.060 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000337540279 1044916928 /nfs/dbraw/zinc/91/69/28/1044916928.db2.gz ICSLTMPQZSMNTM-GVDBMIGSSA-N 1 0 320.383 4.076 20 30 DIEDRO Cc1ccccc1C1(C[NH2+]C[C@@H](C#N)CCC#N)CCCCC1 ZINC000573829359 1044925151 /nfs/dbraw/zinc/92/51/51/1044925151.db2.gz IHBYMBBTCMMAGI-GOSISDBHSA-N 1 0 309.457 4.230 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC000337637807 1044932298 /nfs/dbraw/zinc/93/22/98/1044932298.db2.gz UQIUQNGJKOTJMQ-UHFFFAOYSA-N 1 0 303.409 4.061 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000373106791 1044942436 /nfs/dbraw/zinc/94/24/36/1044942436.db2.gz MQRIQSWSECACLD-HXUWFJFHSA-N 1 0 312.457 4.228 20 30 DIEDRO CC[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000373203686 1044951997 /nfs/dbraw/zinc/95/19/97/1044951997.db2.gz GUZFQMDUMPEKSB-IBGZPJMESA-N 1 0 312.457 4.338 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000574405090 1044952392 /nfs/dbraw/zinc/95/23/92/1044952392.db2.gz YPEDWLMOYUMQSL-HNNXBMFYSA-N 1 0 323.396 4.438 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134775036 1044968390 /nfs/dbraw/zinc/96/83/90/1044968390.db2.gz AYYAHTBEGYYAPQ-MSOLQXFVSA-N 1 0 318.436 4.044 20 30 DIEDRO N#Cc1ccc(CN2CCc3ccccc3[C@H]2c2ccccc2)o1 ZINC000574829761 1044973502 /nfs/dbraw/zinc/97/35/02/1044973502.db2.gz RPOPHOSXYRYWGE-OAQYLSRUSA-N 1 0 314.388 4.299 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1cccc(C#N)c1 ZINC000411164129 1044981924 /nfs/dbraw/zinc/98/19/24/1044981924.db2.gz GTEURQNNZASLOK-INIZCTEOSA-N 1 0 303.409 4.403 20 30 DIEDRO CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)CCC#N ZINC000411214630 1044984356 /nfs/dbraw/zinc/98/43/56/1044984356.db2.gz ZMIWZFRPTLMHBF-LLVKDONJSA-N 1 0 313.214 4.102 20 30 DIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000136603678 1044987333 /nfs/dbraw/zinc/98/73/33/1044987333.db2.gz MWFFEQXUEJFVBW-UZLBHIALSA-N 1 0 308.425 4.348 20 30 DIEDRO CC(C)CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000575204203 1044990876 /nfs/dbraw/zinc/99/08/76/1044990876.db2.gz LNNIJMINMFEBTG-QGZVFWFLSA-N 1 0 312.461 4.146 20 30 DIEDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000411435441 1045006724 /nfs/dbraw/zinc/00/67/24/1045006724.db2.gz CWFAXOSYOYPABE-SFHVURJKSA-N 1 0 321.424 4.018 20 30 DIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccccc1-n1cccn1 ZINC000411466184 1045007488 /nfs/dbraw/zinc/00/74/88/1045007488.db2.gz ZJUSRVYWECFDAA-KRWDZBQOSA-N 1 0 322.456 4.387 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](C)Cc1ccccc1 ZINC000575907917 1045018218 /nfs/dbraw/zinc/01/82/18/1045018218.db2.gz WPGOVHGVKTZCRG-KRWDZBQOSA-N 1 0 313.441 4.029 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)ccc1SC ZINC000151388114 1045022528 /nfs/dbraw/zinc/02/25/28/1045022528.db2.gz BZJVVWXDTMIGLA-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO CC(C)O[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000428452700 1045022740 /nfs/dbraw/zinc/02/27/40/1045022740.db2.gz CVGWERUYRAFAON-FQEVSTJZSA-N 1 0 308.425 4.156 20 30 DIEDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2cccc(C#N)c2)c1 ZINC000151371199 1045022997 /nfs/dbraw/zinc/02/29/97/1045022997.db2.gz JTOUQDKXRLJCBK-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000441075216 1045026576 /nfs/dbraw/zinc/02/65/76/1045026576.db2.gz ZKNYICHNBDGXKX-OAHLLOKOSA-N 1 0 306.409 4.076 20 30 DIEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000411776930 1045027259 /nfs/dbraw/zinc/02/72/59/1045027259.db2.gz DBSNJHXIPUIUOV-HIFRSBDPSA-N 1 0 321.262 4.006 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@@H]2CCC3(CCCC3)O2)C2CC2)cc1 ZINC000576209401 1045042662 /nfs/dbraw/zinc/04/26/62/1045042662.db2.gz MHBCQDKMLBKZQL-IBGZPJMESA-N 1 0 310.441 4.014 20 30 DIEDRO N#Cc1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)o1 ZINC000374285096 1045043700 /nfs/dbraw/zinc/04/37/00/1045043700.db2.gz XLXNDFFEXZAOIF-INIZCTEOSA-N 1 0 307.353 4.020 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1cccc(C#N)c1 ZINC000153706324 1045059952 /nfs/dbraw/zinc/05/99/52/1045059952.db2.gz AVZVDEXAWSPYGF-SJCJKPOMSA-N 1 0 312.800 4.386 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)CC(C)(C)C2CCCCC2)CC1 ZINC000475646925 1045063277 /nfs/dbraw/zinc/06/32/77/1045063277.db2.gz QTEOKSXPZSIIJC-UHFFFAOYSA-N 1 0 320.521 4.140 20 30 DIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000576672699 1045072202 /nfs/dbraw/zinc/07/22/02/1045072202.db2.gz BCHXVBODVVBLHJ-KZNAEPCWSA-N 1 0 300.471 4.199 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Oc2cccc(F)c2)C1 ZINC000576693886 1045074332 /nfs/dbraw/zinc/07/43/32/1045074332.db2.gz LSIPAKIZTCCJRX-RHSMWYFYSA-N 1 0 310.372 4.400 20 30 DIEDRO N#CCCCC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000374625810 1045077351 /nfs/dbraw/zinc/07/73/51/1045077351.db2.gz KZJIUGRUTFVAHA-OAHLLOKOSA-N 1 0 314.326 4.270 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778995750 1045110066 /nfs/dbraw/zinc/11/00/66/1045110066.db2.gz CWSVHPZHCICCEU-UHFFFAOYSA-N 1 0 320.776 4.072 20 30 DIEDRO N#Cc1ccc(OCC[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000525708319 1045113041 /nfs/dbraw/zinc/11/30/41/1045113041.db2.gz GWJUIIATZBZHDA-UHFFFAOYSA-N 1 0 321.207 4.034 20 30 DIEDRO C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cnc3[nH]cc(C#N)c3c2)c1 ZINC000600779719 1045136984 /nfs/dbraw/zinc/13/69/84/1045136984.db2.gz YWNMCERWGQDFBC-CQSZACIVSA-N 1 0 316.408 4.086 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)c(C)o1 ZINC000447533966 1045140919 /nfs/dbraw/zinc/14/09/19/1045140919.db2.gz TWYOTAUDEUDCFW-CQSZACIVSA-N 1 0 314.454 4.352 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc(C#N)cc1 ZINC000447537247 1045141448 /nfs/dbraw/zinc/14/14/48/1045141448.db2.gz UGBMQOFFWFBVMP-YWZLYKJASA-N 1 0 308.425 4.326 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](CC)c1c(C)nn(C)c1C)c1ccc(C#N)cc1 ZINC000447537231 1045141512 /nfs/dbraw/zinc/14/15/12/1045141512.db2.gz UFCQKBGMYAGPPH-MSOLQXFVSA-N 1 0 310.445 4.101 20 30 DIEDRO CC[NH+](CC)Cc1ccc(NCc2cccc(F)c2C#N)cc1 ZINC000600854813 1045149520 /nfs/dbraw/zinc/14/95/20/1045149520.db2.gz YZXIRDSGFQFAHI-UHFFFAOYSA-N 1 0 311.404 4.151 20 30 DIEDRO C[NH+](C)Cc1cccc(NCc2ccccc2C(C)(C)C#N)c1 ZINC000600851089 1045150251 /nfs/dbraw/zinc/15/02/51/1045150251.db2.gz WNRITNBQHMMLFT-UHFFFAOYSA-N 1 0 307.441 4.161 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000447589818 1045154326 /nfs/dbraw/zinc/15/43/26/1045154326.db2.gz ZBQPIYFJTNRDKP-PCCBWWKXSA-N 1 0 319.452 4.044 20 30 DIEDRO C=CCCC[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000577704126 1045160627 /nfs/dbraw/zinc/16/06/27/1045160627.db2.gz RQCOEVNODRJNCJ-UHFFFAOYSA-N 1 0 324.424 4.003 20 30 DIEDRO C[C@@H](CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000447734155 1045170254 /nfs/dbraw/zinc/17/02/54/1045170254.db2.gz TZSOVBNYUUQMLL-LAUBAEHRSA-N 1 0 320.436 4.125 20 30 DIEDRO C[C@H](CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000447734156 1045170948 /nfs/dbraw/zinc/17/09/48/1045170948.db2.gz TZSOVBNYUUQMLL-UTKZUKDTSA-N 1 0 320.436 4.125 20 30 DIEDRO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc(C)c1O ZINC000577918441 1045187567 /nfs/dbraw/zinc/18/75/67/1045187567.db2.gz UYECFGFTORLSOU-UHFFFAOYSA-N 1 0 306.409 4.045 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(F)c2F)cc1 ZINC000601142236 1045193655 /nfs/dbraw/zinc/19/36/55/1045193655.db2.gz OLDASEBEBKKOBW-UHFFFAOYSA-N 1 0 300.352 4.056 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC1 ZINC000601156743 1045195209 /nfs/dbraw/zinc/19/52/09/1045195209.db2.gz YPWZIYIWRUQAID-KUMGQCAPSA-N 1 0 300.471 4.372 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000577991731 1045197458 /nfs/dbraw/zinc/19/74/58/1045197458.db2.gz MQYHQIROXCKWQU-JKSUJKDBSA-N 1 0 309.413 4.003 20 30 DIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000527123835 1045199416 /nfs/dbraw/zinc/19/94/16/1045199416.db2.gz OXKQIYTVPXSARJ-LBPRGKRZSA-N 1 0 300.402 4.270 20 30 DIEDRO Cc1[nH]c2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2c1C ZINC000578102305 1045208459 /nfs/dbraw/zinc/20/84/59/1045208459.db2.gz CFTAJBLRKCPMKA-HXUWFJFHSA-N 1 0 315.420 4.434 20 30 DIEDRO Cc1ccc(-c2nc(CC[NH2+][C@@H](C)CC(C)(C)C#N)co2)cc1 ZINC000924902528 1045209088 /nfs/dbraw/zinc/20/90/88/1045209088.db2.gz PMLRHKGGOGWNQD-HNNXBMFYSA-N 1 0 311.429 4.111 20 30 DIEDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000601272774 1045209633 /nfs/dbraw/zinc/20/96/33/1045209633.db2.gz KTBXAXMLGAIAIL-VQTJNVASSA-N 1 0 306.409 4.317 20 30 DIEDRO COc1ccc2c(c1)CC[C@H]2[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000601284097 1045211104 /nfs/dbraw/zinc/21/11/04/1045211104.db2.gz FSDCBKOBGNABPU-HXUWFJFHSA-N 1 0 318.420 4.223 20 30 DIEDRO N#CCCCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000924943094 1045213143 /nfs/dbraw/zinc/21/31/43/1045213143.db2.gz SGIVCVLLFMISDQ-IBGZPJMESA-N 1 0 305.381 4.201 20 30 DIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000601305033 1045214749 /nfs/dbraw/zinc/21/47/49/1045214749.db2.gz RAGDMGHQPZGCGY-LRDDRELGSA-N 1 0 321.380 4.207 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1ccncc1 ZINC000925074761 1045224562 /nfs/dbraw/zinc/22/45/62/1045224562.db2.gz KBECQXRGCLRLGI-DLBZAZTESA-N 1 0 313.832 4.414 20 30 DIEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(Nc2cccc(C)c2)c1C ZINC000925107109 1045227940 /nfs/dbraw/zinc/22/79/40/1045227940.db2.gz BSRRJBWWJVTNNT-UHFFFAOYSA-N 1 0 323.440 4.103 20 30 DIEDRO N#CCC[C@@H](C#N)CN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000578316348 1045230080 /nfs/dbraw/zinc/23/00/80/1045230080.db2.gz XNNNUZRZPMUAKD-PXNSSMCTSA-N 1 0 321.399 4.143 20 30 DIEDRO Cc1cnc(CC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)c1 ZINC000578352997 1045234340 /nfs/dbraw/zinc/23/43/40/1045234340.db2.gz QBHLGONOBMRAKX-PZJWPPBQSA-N 1 0 319.452 4.013 20 30 DIEDRO CC1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000578365775 1045235718 /nfs/dbraw/zinc/23/57/18/1045235718.db2.gz BMQVVYOIWNKQKU-RHSMWYFYSA-N 1 0 302.849 4.386 20 30 DIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000578492370 1045248585 /nfs/dbraw/zinc/24/85/85/1045248585.db2.gz KGDNVYUGQLJRIC-LSDHHAIUSA-N 1 0 305.462 4.278 20 30 DIEDRO CCC([NH2+]Cc1cccc(OCCCC#N)c1)(C1CC1)C1CC1 ZINC000527765743 1045261423 /nfs/dbraw/zinc/26/14/23/1045261423.db2.gz SLTQWEMCQIDCPX-UHFFFAOYSA-N 1 0 312.457 4.428 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000527771960 1045263092 /nfs/dbraw/zinc/26/30/92/1045263092.db2.gz KWTNAZDNYTYMFT-HXUWFJFHSA-N 1 0 308.425 4.277 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccccc1SC ZINC000282022177 1045274554 /nfs/dbraw/zinc/27/45/54/1045274554.db2.gz KIJRDHDLQUDFRK-CYBMUJFWSA-N 1 0 312.438 4.140 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527898530 1045275946 /nfs/dbraw/zinc/27/59/46/1045275946.db2.gz ZAIKJSYVPPQHNF-VCMHEYGDSA-N 1 0 306.812 4.386 20 30 DIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000578919009 1045282352 /nfs/dbraw/zinc/28/23/52/1045282352.db2.gz RFHBOAXMKZLSNV-HOTGVXAUSA-N 1 0 320.436 4.338 20 30 DIEDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000579145528 1045297341 /nfs/dbraw/zinc/29/73/41/1045297341.db2.gz GYDJGPZTOQYQLU-GOSISDBHSA-N 1 0 312.388 4.289 20 30 DIEDRO C[NH+](C)[C@@H](CNc1cccc(C(F)F)c1C#N)c1ccsc1 ZINC000579293146 1045305878 /nfs/dbraw/zinc/30/58/78/1045305878.db2.gz PZZYGMXVHVRBQX-HNNXBMFYSA-N 1 0 321.396 4.272 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000579290981 1045306083 /nfs/dbraw/zinc/30/60/83/1045306083.db2.gz UYYGUKPFOYMBTQ-CYBMUJFWSA-N 1 0 324.371 4.131 20 30 DIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000579582644 1045324309 /nfs/dbraw/zinc/32/43/09/1045324309.db2.gz JHKBIVFDRCGWKX-CTNGQTDRSA-N 1 0 317.436 4.394 20 30 DIEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000187780808 1045331136 /nfs/dbraw/zinc/33/11/36/1045331136.db2.gz PEZKHDQCABPELX-ZWKOTPCHSA-N 1 0 321.342 4.044 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000188025248 1045333238 /nfs/dbraw/zinc/33/32/38/1045333238.db2.gz NUJNARGQIYXSJF-LESCRADOSA-N 1 0 323.864 4.020 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000188180867 1045333749 /nfs/dbraw/zinc/33/37/49/1045333749.db2.gz GRPJGRRTTDQVOG-TZIWHRDSSA-N 1 0 320.436 4.189 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(OCC#N)cc1 ZINC000188724529 1045339098 /nfs/dbraw/zinc/33/90/98/1045339098.db2.gz YZDLAGNKAONMCZ-OAHLLOKOSA-N 1 0 306.409 4.317 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000075755646 1045339448 /nfs/dbraw/zinc/33/94/48/1045339448.db2.gz YGNJTBFISRUGMR-INIZCTEOSA-N 1 0 307.441 4.255 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc1 ZINC000188878696 1045340903 /nfs/dbraw/zinc/34/09/03/1045340903.db2.gz PMDIVGOQYNVLIG-HXUWFJFHSA-N 1 0 321.420 4.011 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000449085509 1045342314 /nfs/dbraw/zinc/34/23/14/1045342314.db2.gz NXJIIFRVTYBFAM-KRWDZBQOSA-N 1 0 314.473 4.034 20 30 DIEDRO CC(C)c1ccc(OCC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449086910 1045343307 /nfs/dbraw/zinc/34/33/07/1045343307.db2.gz TWQJNPWDKVDZSZ-UHFFFAOYSA-N 1 0 300.446 4.251 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)cc1 ZINC000189371607 1045346301 /nfs/dbraw/zinc/34/63/01/1045346301.db2.gz LAIGGSAKUXKQDJ-OXQOHEQNSA-N 1 0 321.420 4.181 20 30 DIEDRO CC(C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1nc2ccccc2[nH]1 ZINC000449099936 1045346866 /nfs/dbraw/zinc/34/68/66/1045346866.db2.gz AJVTXKFIUZLZNU-KGYZHSKHSA-N 1 0 310.445 4.322 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1cccc(C#N)c1 ZINC000449172054 1045354767 /nfs/dbraw/zinc/35/47/67/1045354767.db2.gz JGNHAQJHHHZRQK-BONVTDFDSA-N 1 0 316.326 4.314 20 30 DIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2SCCc3ccccc32)CC1 ZINC000449178248 1045355498 /nfs/dbraw/zinc/35/54/98/1045355498.db2.gz XHVUGISBBQOSMN-NXYGQSRBSA-N 1 0 300.471 4.079 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)c(OC(C)C)c1 ZINC000449193770 1045357791 /nfs/dbraw/zinc/35/77/91/1045357791.db2.gz OALDHFLUXGWVSN-UHFFFAOYSA-N 1 0 300.446 4.344 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000449183596 1045359323 /nfs/dbraw/zinc/35/93/23/1045359323.db2.gz GHJLTURFZNINKC-CQSZACIVSA-N 1 0 301.459 4.430 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000449197412 1045361966 /nfs/dbraw/zinc/36/19/66/1045361966.db2.gz VXCSVBWDGBTGFC-WBFXSEPVSA-N 1 0 312.457 4.186 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449254140 1045367052 /nfs/dbraw/zinc/36/70/52/1045367052.db2.gz WXWKHEWVIGBYQD-VXESANQCSA-N 1 0 312.457 4.177 20 30 DIEDRO Cc1ccc(Br)cc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449270557 1045369851 /nfs/dbraw/zinc/36/98/51/1045369851.db2.gz RCXUGRRVWMTBSO-UHFFFAOYSA-N 1 0 321.262 4.320 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N[C@H]1CCn2ccnc2C1 ZINC000779213487 1045371960 /nfs/dbraw/zinc/37/19/60/1045371960.db2.gz KFLKUFKOHPZPPI-MQNTZWLQSA-N 1 0 317.477 4.011 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000449266638 1045372110 /nfs/dbraw/zinc/37/21/10/1045372110.db2.gz WELBJYUDKIYQDY-RRFJBIMHSA-N 1 0 307.400 4.195 20 30 DIEDRO N#CC1CCC(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449305866 1045374337 /nfs/dbraw/zinc/37/43/37/1045374337.db2.gz UUUMVJBDDZQOHL-UHFFFAOYSA-N 1 0 303.258 4.474 20 30 DIEDRO CN(C)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000449312754 1045376950 /nfs/dbraw/zinc/37/69/50/1045376950.db2.gz NFMCIPCPYHLMCL-ADKAHSJRSA-N 1 0 319.880 4.005 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c(F)c1 ZINC000449353295 1045384445 /nfs/dbraw/zinc/38/44/45/1045384445.db2.gz ZSNSAGBNSQFXKV-SFHVURJKSA-N 1 0 316.326 4.143 20 30 DIEDRO COC[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000449480668 1045398648 /nfs/dbraw/zinc/39/86/48/1045398648.db2.gz PALLYGDPVMLSJR-FAEJEUNOSA-N 1 0 320.864 4.132 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000449493935 1045400767 /nfs/dbraw/zinc/40/07/67/1045400767.db2.gz MKHHNQGYKUCZLY-WWDZGPRUSA-N 1 0 318.411 4.416 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(OC)c(OC)c(OC)c2)CCCCC1 ZINC000449576061 1045415490 /nfs/dbraw/zinc/41/54/90/1045415490.db2.gz PSPRKSZESNVCBS-UHFFFAOYSA-N 1 0 319.445 4.081 20 30 DIEDRO C=CCC1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CCCC1 ZINC000449606914 1045420083 /nfs/dbraw/zinc/42/00/83/1045420083.db2.gz UAGARUUHUUEUKQ-UHFFFAOYSA-N 1 0 318.427 4.129 20 30 DIEDRO C[C@H]1C[C@H](Nc2cccc(CC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000449699375 1045427965 /nfs/dbraw/zinc/42/79/65/1045427965.db2.gz OUORGTHWFSAIQG-LAUBAEHRSA-N 1 0 319.452 4.218 20 30 DIEDRO CC(C)COc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000449733600 1045431936 /nfs/dbraw/zinc/43/19/36/1045431936.db2.gz IVZPZGQMLPPRNE-UHFFFAOYSA-N 1 0 312.388 4.022 20 30 DIEDRO N#Cc1ccc(CN2CCC[C@H]2c2ccc(F)cc2F)s1 ZINC000449737702 1045432760 /nfs/dbraw/zinc/43/27/60/1045432760.db2.gz ZRFUEABXAQFGFY-INIZCTEOSA-N 1 0 304.365 4.235 20 30 DIEDRO CC(C)COc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000449734849 1045433134 /nfs/dbraw/zinc/43/31/34/1045433134.db2.gz ORJWYMBEUMHTSF-UHFFFAOYSA-N 1 0 312.388 4.022 20 30 DIEDRO COc1cccc([C@@H]2C[N@H+](CC(C)(C)CCC#N)CC2(C)C)c1 ZINC000529638483 1045504915 /nfs/dbraw/zinc/50/49/15/1045504915.db2.gz DSKFXPDXCSDFJZ-SFHVURJKSA-N 1 0 314.473 4.451 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC001120249335 1045536200 /nfs/dbraw/zinc/53/62/00/1045536200.db2.gz JOBOOSHRWQBYMZ-WMLDXEAASA-N 1 0 319.399 4.122 20 30 DIEDRO N#Cc1ccc(OCCC[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000750726982 1045546652 /nfs/dbraw/zinc/54/66/52/1045546652.db2.gz QGCCWMUTULAQOT-HXUWFJFHSA-N 1 0 306.409 4.068 20 30 DIEDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450721621 1045548873 /nfs/dbraw/zinc/54/88/73/1045548873.db2.gz XOVRPZLTFGGJTH-YWZLYKJASA-N 1 0 308.425 4.037 20 30 DIEDRO C=CCCC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000750833618 1045560650 /nfs/dbraw/zinc/56/06/50/1045560650.db2.gz LCTAWZPTRMYWHU-UHFFFAOYSA-N 1 0 322.493 4.064 20 30 DIEDRO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2(C#N)CCC2)cc1 ZINC000450818667 1045573471 /nfs/dbraw/zinc/57/34/71/1045573471.db2.gz JAWUCDHSOGFCHT-MOPGFXCFSA-N 1 0 312.457 4.393 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@H]1CC2CCC1CC2 ZINC000381917553 1045584895 /nfs/dbraw/zinc/58/48/95/1045584895.db2.gz NUZRZEIBBMSYBA-ZJXZKNCCSA-N 1 0 312.457 4.454 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000800459367 1045624256 /nfs/dbraw/zinc/62/42/56/1045624256.db2.gz MQKINGVESSIELI-KRWDZBQOSA-N 1 0 317.539 4.026 20 30 DIEDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000451141126 1045628494 /nfs/dbraw/zinc/62/84/94/1045628494.db2.gz CYQHWXCMKOJZCY-WOSRLPQWSA-N 1 0 310.363 4.304 20 30 DIEDRO C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(C#N)c(F)c1 ZINC000800495174 1045631568 /nfs/dbraw/zinc/63/15/68/1045631568.db2.gz KQRIKUNCJJXSBO-DIFFPNOSSA-N 1 0 314.791 4.169 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC(F)(F)C2)cc1 ZINC000800493059 1045631927 /nfs/dbraw/zinc/63/19/27/1045631927.db2.gz IGIUWNGCABJMJN-CABCVRRESA-N 1 0 307.384 4.175 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2cccc3[nH]ccc32)cc1 ZINC000800500193 1045635574 /nfs/dbraw/zinc/63/55/74/1045635574.db2.gz ADTNBPMOGSDWMY-INIZCTEOSA-N 1 0 318.420 4.073 20 30 DIEDRO CC[N@H+](C[C@H]1CCC2(CCCC2)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000530366441 1045652767 /nfs/dbraw/zinc/65/27/67/1045652767.db2.gz GTCQLOROFQABSD-QFBILLFUSA-N 1 0 312.457 4.433 20 30 DIEDRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000451291416 1045658369 /nfs/dbraw/zinc/65/83/69/1045658369.db2.gz ONDACRDBEFAXAI-IBGZPJMESA-N 1 0 324.428 4.009 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(-c2cnn(C)c2)s1)c1ccccc1 ZINC000800888200 1045662332 /nfs/dbraw/zinc/66/23/32/1045662332.db2.gz SRYAAWCWCDFAAX-SFHVURJKSA-N 1 0 321.449 4.003 20 30 DIEDRO COc1c(C)cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1C ZINC000800896127 1045664143 /nfs/dbraw/zinc/66/41/43/1045664143.db2.gz ZTNMLZFRHGEUPR-UHFFFAOYSA-N 1 0 314.816 4.127 20 30 DIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191223316 1045664716 /nfs/dbraw/zinc/66/47/16/1045664716.db2.gz LKCBPTWTBQPYCJ-ZDUSSCGKSA-N 1 0 313.832 4.276 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(O)c1 ZINC000800989468 1045678620 /nfs/dbraw/zinc/67/86/20/1045678620.db2.gz DGOUUZGNAJYMRV-GFCCVEGCSA-N 1 0 300.789 4.077 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(O)c1C ZINC000800991132 1045678677 /nfs/dbraw/zinc/67/86/77/1045678677.db2.gz YISZUFDCDBXJRC-CYBMUJFWSA-N 1 0 314.816 4.385 20 30 DIEDRO CC1CC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000530729530 1045718677 /nfs/dbraw/zinc/71/86/77/1045718677.db2.gz ZYMZSLAGGIPUNA-UHFFFAOYSA-N 1 0 306.409 4.025 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)c1 ZINC000753565988 1045763497 /nfs/dbraw/zinc/76/34/97/1045763497.db2.gz LSPYWTFVAFYWKM-UHFFFAOYSA-N 1 0 314.791 4.387 20 30 DIEDRO Cc1cccc([C@@H]2CC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000753591417 1045769488 /nfs/dbraw/zinc/76/94/88/1045769488.db2.gz PZLBZMUMLIJKOC-FXAWDEMLSA-N 1 0 320.436 4.275 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(OC(F)F)c1 ZINC000192150486 1045788482 /nfs/dbraw/zinc/78/84/82/1045788482.db2.gz BGCDNBPBBOTNSQ-LLVKDONJSA-N 1 0 320.314 4.150 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC(C)(C)C2)ccc1OC ZINC000753677909 1045789531 /nfs/dbraw/zinc/78/95/31/1045789531.db2.gz BADNFZRUNYJQFZ-JKSUJKDBSA-N 1 0 316.445 4.044 20 30 DIEDRO CS[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(C)(C)C ZINC000753741329 1045799713 /nfs/dbraw/zinc/79/97/13/1045799713.db2.gz KBFQRHCQMXDLSU-XJKSGUPXSA-N 1 0 306.475 4.017 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1cnc(CCOC)s1)c1ccccc1 ZINC000631097916 1045814008 /nfs/dbraw/zinc/81/40/08/1045814008.db2.gz HLEWEOLRFLZDFW-KRWDZBQOSA-N 1 0 316.470 4.129 20 30 DIEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000801912976 1045834589 /nfs/dbraw/zinc/83/45/89/1045834589.db2.gz KNFBESAQRUSBMO-CRAIPNDOSA-N 1 0 300.446 4.050 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cc(=O)oc2cc(CC)c(Cl)cc12 ZINC000754014660 1045834596 /nfs/dbraw/zinc/83/45/96/1045834596.db2.gz RBVJWVRCXFVRBI-UHFFFAOYSA-N 1 0 317.816 4.183 20 30 DIEDRO CC[N@H+](CCO[C@@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000801914616 1045837619 /nfs/dbraw/zinc/83/76/19/1045837619.db2.gz ZACUTSULTXSLDY-STQMWFEESA-N 1 0 314.351 4.017 20 30 DIEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000801923626 1045844647 /nfs/dbraw/zinc/84/46/47/1045844647.db2.gz LQTKAKZZRQWQEV-IAGOWNOFSA-N 1 0 308.425 4.275 20 30 DIEDRO CC(C)[C@H]([NH2+]CCO[C@H](C)C#N)c1ccc(C(C)(C)C)cc1 ZINC000801928953 1045847432 /nfs/dbraw/zinc/84/74/32/1045847432.db2.gz CJICBANWGRXTBQ-QAPCUYQASA-N 1 0 302.462 4.199 20 30 DIEDRO CC[C@H](C)c1ccc([C@H]([NH2+]CCO[C@H](C)C#N)C(C)C)cc1 ZINC000801928944 1045848923 /nfs/dbraw/zinc/84/89/23/1045848923.db2.gz CAUUHQHUSIUTOL-FRQCXROJSA-N 1 0 302.462 4.415 20 30 DIEDRO C[C@@H](C#N)OCC[NH2+][C@H](CC1CCCCC1)c1ccccc1 ZINC000801937147 1045852209 /nfs/dbraw/zinc/85/22/09/1045852209.db2.gz FMVGMBYQSCACDZ-QFBILLFUSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccccc1Oc1ccccc1 ZINC000801938152 1045852804 /nfs/dbraw/zinc/85/28/04/1045852804.db2.gz ZEQABXDWUDHEKX-JKSUJKDBSA-N 1 0 310.397 4.058 20 30 DIEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1ccccc1Oc1ccccc1 ZINC000801938147 1045852944 /nfs/dbraw/zinc/85/29/44/1045852944.db2.gz ZEQABXDWUDHEKX-CVEARBPZSA-N 1 0 310.397 4.058 20 30 DIEDRO CC(C)CC[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000801937527 1045853838 /nfs/dbraw/zinc/85/38/38/1045853838.db2.gz PGYGOZUVHSPBQU-WMLDXEAASA-N 1 0 308.853 4.336 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](c2nccs2)c2ccccc2)CC1 ZINC000901983704 1045880528 /nfs/dbraw/zinc/88/05/28/1045880528.db2.gz ICDGMLWRJBAVME-VMBOVVBDSA-N 1 0 311.454 4.152 20 30 DIEDRO C=C(C)COCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000531629835 1045884377 /nfs/dbraw/zinc/88/43/77/1045884377.db2.gz MBYMKPICNPAHKI-UHFFFAOYSA-N 1 0 321.367 4.124 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000631679790 1045902643 /nfs/dbraw/zinc/90/26/43/1045902643.db2.gz IVIIZSQSPLYPQK-IBGZPJMESA-N 1 0 314.473 4.062 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000631684318 1045904340 /nfs/dbraw/zinc/90/43/40/1045904340.db2.gz QKPFKJIQKIMDKU-OAHLLOKOSA-N 1 0 302.462 4.031 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000531715910 1045906704 /nfs/dbraw/zinc/90/67/04/1045906704.db2.gz ZKIYKLLVXAGUSP-QAPCUYQASA-N 1 0 323.415 4.017 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1csc2ccccc21 ZINC000754735428 1045924210 /nfs/dbraw/zinc/92/42/10/1045924210.db2.gz UDIAWNYPNWHGFH-FZKQIMNGSA-N 1 0 322.433 4.157 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453149251 1045950438 /nfs/dbraw/zinc/95/04/38/1045950438.db2.gz QGXUPMHLCWQWAL-MRXNPFEDSA-N 1 0 312.413 4.117 20 30 DIEDRO C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000802308708 1045951637 /nfs/dbraw/zinc/95/16/37/1045951637.db2.gz HDNAABWSFXIBCA-ZRZPHAQCSA-N 1 0 320.436 4.433 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000829029495 1045952642 /nfs/dbraw/zinc/95/26/42/1045952642.db2.gz QXNJADVVGVFREV-BBRMVZONSA-N 1 0 304.821 4.007 20 30 DIEDRO C=CC[N@H+](Cc1cccc(-c2cncnc2)c1)C1CCCCC1 ZINC001137773137 1045964405 /nfs/dbraw/zinc/96/44/05/1045964405.db2.gz UODFFYWDQRUBLD-UHFFFAOYSA-N 1 0 307.441 4.464 20 30 DIEDRO CCCCCCCCCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000755250982 1045966016 /nfs/dbraw/zinc/96/60/16/1045966016.db2.gz PUFQYTCTEYZCJX-ROUUACIJSA-N 1 0 323.525 4.053 20 30 DIEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000632753819 1045968508 /nfs/dbraw/zinc/96/85/08/1045968508.db2.gz YLDQHVLAVOEFPM-ZWKOTPCHSA-N 1 0 314.473 4.207 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1-c1ccccc1 ZINC001137858031 1045987065 /nfs/dbraw/zinc/98/70/65/1045987065.db2.gz UFCCWPNBPMUNKW-SFHVURJKSA-N 1 0 307.441 4.220 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)c(C)n1-c1ccccc1 ZINC001137858990 1045988442 /nfs/dbraw/zinc/98/84/42/1045988442.db2.gz DNLACFVPPRFJMM-UHFFFAOYSA-N 1 0 307.441 4.220 20 30 DIEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)c3ccsc32)ccc1C#N ZINC000453247836 1046003379 /nfs/dbraw/zinc/00/33/79/1046003379.db2.gz IDCKVCCYJIXORL-BLLLJJGKSA-N 1 0 312.438 4.357 20 30 DIEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000237582113 1046007185 /nfs/dbraw/zinc/00/71/85/1046007185.db2.gz PKZGODGKGPDTSW-IAGOWNOFSA-N 1 0 300.446 4.285 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)ccc1OC ZINC000453298367 1046020320 /nfs/dbraw/zinc/02/03/20/1046020320.db2.gz XLSKNOGGWYXRDL-DUVNUKRYSA-N 1 0 306.837 4.472 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000453296985 1046020485 /nfs/dbraw/zinc/02/04/85/1046020485.db2.gz VGRROAKBXQZCKP-UCLAIMLFSA-N 1 0 310.441 4.061 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)ccc1OC ZINC000453298372 1046020504 /nfs/dbraw/zinc/02/05/04/1046020504.db2.gz XLSKNOGGWYXRDL-NOLJZWGESA-N 1 0 306.837 4.472 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(OC(F)(F)F)cc1 ZINC000453296867 1046020598 /nfs/dbraw/zinc/02/05/98/1046020598.db2.gz UPLIIWHVFZFRBN-DYEKYZERSA-N 1 0 312.335 4.318 20 30 DIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000453299210 1046020913 /nfs/dbraw/zinc/02/09/13/1046020913.db2.gz ZTDFPVHFSGBXKB-DUVNUKRYSA-N 1 0 304.821 4.226 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)cc1C#N ZINC000080339743 1046026075 /nfs/dbraw/zinc/02/60/75/1046026075.db2.gz CPIJDKQBFFQBHV-RBZFPXEDSA-N 1 0 324.399 4.119 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453306645 1046028828 /nfs/dbraw/zinc/02/88/28/1046028828.db2.gz AWMMCRYVKCSDDV-HNNXBMFYSA-N 1 0 321.486 4.020 20 30 DIEDRO C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000802659404 1046029808 /nfs/dbraw/zinc/02/98/08/1046029808.db2.gz SDJFESOVPZIPJG-JKSUJKDBSA-N 1 0 300.446 4.378 20 30 DIEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000453313775 1046032170 /nfs/dbraw/zinc/03/21/70/1046032170.db2.gz WYBUMDJDSXNJMM-HNNXBMFYSA-N 1 0 317.477 4.423 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCCC1(F)F ZINC000453325967 1046039702 /nfs/dbraw/zinc/03/97/02/1046039702.db2.gz XNTZJMCMYIWZMX-DOTOQJQBSA-N 1 0 304.384 4.351 20 30 DIEDRO C=CCCC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000756056548 1046046489 /nfs/dbraw/zinc/04/64/89/1046046489.db2.gz MAUNJDRQQABLTB-QGZVFWFLSA-N 1 0 301.455 4.250 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000902726420 1046051027 /nfs/dbraw/zinc/05/10/27/1046051027.db2.gz PCSHAVSAWKSVPS-KDOFPFPSSA-N 1 0 322.408 4.131 20 30 DIEDRO C#CC[C@H]([NH2+][C@H](C)CCc1ccc(OC)c(O)c1)c1ccccc1 ZINC000756100755 1046050961 /nfs/dbraw/zinc/05/09/61/1046050961.db2.gz WIJNDUUMYOGZPA-APWZRJJASA-N 1 0 323.436 4.076 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)CCc1ccc(OC)c(O)c1)c1ccccc1 ZINC000756100759 1046051211 /nfs/dbraw/zinc/05/12/11/1046051211.db2.gz WIJNDUUMYOGZPA-VQIMIIECSA-N 1 0 323.436 4.076 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH+]2CCC(Cc3cc(F)ccc3F)CC2)C1 ZINC000453350393 1046052557 /nfs/dbraw/zinc/05/25/57/1046052557.db2.gz IAHYMWHTGABVKG-MAUKXSAKSA-N 1 0 318.411 4.302 20 30 DIEDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1cccc(C#N)c1 ZINC000902728189 1046052905 /nfs/dbraw/zinc/05/29/05/1046052905.db2.gz NDWZBYYJEPRRJN-KUHUBIRLSA-N 1 0 324.424 4.377 20 30 DIEDRO CCOCc1ccccc1C[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902734350 1046053914 /nfs/dbraw/zinc/05/39/14/1046053914.db2.gz UMZSCAJVYCNWDO-FQEVSTJZSA-N 1 0 308.425 4.336 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(C#N)c1 ZINC000902742836 1046056320 /nfs/dbraw/zinc/05/63/20/1046056320.db2.gz YYDDBRDBGRPBCE-OAQYLSRUSA-N 1 0 319.452 4.399 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)s1 ZINC000902741413 1046057280 /nfs/dbraw/zinc/05/72/80/1046057280.db2.gz QPXUMUNXCRUUTF-JTQLQIEISA-N 1 0 310.344 4.489 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000453364363 1046066416 /nfs/dbraw/zinc/06/64/16/1046066416.db2.gz QENSXXXULIVPEE-ZMYBRWDISA-N 1 0 312.457 4.157 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000902766571 1046067459 /nfs/dbraw/zinc/06/74/59/1046067459.db2.gz NFMMYCXBKKNXBC-YSSFQJQWSA-N 1 0 312.457 4.194 20 30 DIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(C(=O)OC)cc1C)c1ccncc1 ZINC000902807072 1046074866 /nfs/dbraw/zinc/07/48/66/1046074866.db2.gz VKGDDTFNTSAEBD-HNAYVOBHSA-N 1 0 324.424 4.145 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000453378206 1046075608 /nfs/dbraw/zinc/07/56/08/1046075608.db2.gz YTEGGTFJCJCFQG-KFWWJZLASA-N 1 0 311.372 4.062 20 30 DIEDRO CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cccc(C#N)c1 ZINC000902816614 1046075929 /nfs/dbraw/zinc/07/59/29/1046075929.db2.gz QKIHQLOWULJYKR-PMACEKPBSA-N 1 0 308.425 4.113 20 30 DIEDRO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000902826558 1046081404 /nfs/dbraw/zinc/08/14/04/1046081404.db2.gz FNOIJSGBZHJUML-GJZGRUSLSA-N 1 0 322.408 4.065 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccc(C#N)cc1 ZINC000756454594 1046084359 /nfs/dbraw/zinc/08/43/59/1046084359.db2.gz CWVZIFADAPQAJH-NEPJUHHUSA-N 1 0 300.789 4.329 20 30 DIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccc(C#N)cc1 ZINC000756459711 1046084700 /nfs/dbraw/zinc/08/47/00/1046084700.db2.gz WXCCQPBXHISQBL-BFQNTYOBSA-N 1 0 310.372 4.302 20 30 DIEDRO CC[C@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1cccc(C#N)c1 ZINC000902842650 1046085778 /nfs/dbraw/zinc/08/57/78/1046085778.db2.gz ZMOCSLFJRJCFTK-DQLDELGASA-N 1 0 322.452 4.154 20 30 DIEDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1cccc(C#N)c1 ZINC000902849325 1046085981 /nfs/dbraw/zinc/08/59/81/1046085981.db2.gz LGJBOBWKDVRMDR-ACRUOGEOSA-N 1 0 320.436 4.377 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1cccc(C#N)c1 ZINC000902866295 1046094905 /nfs/dbraw/zinc/09/49/05/1046094905.db2.gz DLHHEXBBGFGDOA-ZWKOTPCHSA-N 1 0 322.408 4.131 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1cccc(C#N)c1 ZINC000902880583 1046100050 /nfs/dbraw/zinc/10/00/50/1046100050.db2.gz JVJHPBQDPVFNQO-RBUKOAKNSA-N 1 0 312.457 4.481 20 30 DIEDRO Cc1ccc(C2([NH2+]Cc3ccc(OCC#N)cc3)CCC2)cc1 ZINC000830821700 1046101869 /nfs/dbraw/zinc/10/18/69/1046101869.db2.gz YUVWZTOPSBBSOE-UHFFFAOYSA-N 1 0 306.409 4.066 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000902891225 1046102754 /nfs/dbraw/zinc/10/27/54/1046102754.db2.gz QSNQFFQMBBRTID-OKZBNKHCSA-N 1 0 300.446 4.193 20 30 DIEDRO C[C@H](Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(C#N)ccn1 ZINC000902902640 1046104282 /nfs/dbraw/zinc/10/42/82/1046104282.db2.gz GUCSHVDBRNUMAP-INIZCTEOSA-N 1 0 320.440 4.112 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc2ccccc2o1 ZINC000194802075 1046109202 /nfs/dbraw/zinc/10/92/02/1046109202.db2.gz GPDOKDBEPMZHHQ-CQSZACIVSA-N 1 0 306.365 4.186 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(OC)c2)CC1)c1cccc(C#N)c1 ZINC000902916419 1046111793 /nfs/dbraw/zinc/11/17/93/1046111793.db2.gz QPZRJBCRZZUUSM-IBGZPJMESA-N 1 0 306.409 4.297 20 30 DIEDRO C=CC[N@H+](Cc1ccc(N2CCCCC2)o1)Cc1ccccc1 ZINC001138177248 1046112029 /nfs/dbraw/zinc/11/20/29/1046112029.db2.gz LNVIHNSKMDZOJI-UHFFFAOYSA-N 1 0 310.441 4.458 20 30 DIEDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1cccc(C#N)c1 ZINC000756624202 1046112818 /nfs/dbraw/zinc/11/28/18/1046112818.db2.gz DOVIQGYVGXTRPY-WQGACYEGSA-N 1 0 310.372 4.302 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1cccc(C#N)c1 ZINC000902945859 1046121874 /nfs/dbraw/zinc/12/18/74/1046121874.db2.gz WLWMUPVQHBUPMP-NVXWUHKLSA-N 1 0 311.454 4.442 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000756710578 1046122025 /nfs/dbraw/zinc/12/20/25/1046122025.db2.gz ZKLCZRDQWYTLKM-WBVHZDCISA-N 1 0 324.424 4.232 20 30 DIEDRO CCC[C@H]([NH2+]Cc1cccc(O[C@H](C#N)CC)c1)c1cccnc1 ZINC000756709698 1046122269 /nfs/dbraw/zinc/12/22/69/1046122269.db2.gz NPYPGUBHQXGGBL-ICSRJNTNSA-N 1 0 323.440 4.394 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000756708713 1046122285 /nfs/dbraw/zinc/12/22/85/1046122285.db2.gz HMSMQCJDQPCPNX-NVXWUHKLSA-N 1 0 324.424 4.232 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cccc(C#N)c1 ZINC000902946220 1046123309 /nfs/dbraw/zinc/12/33/09/1046123309.db2.gz YOCOYIQBZWAVKK-GOSISDBHSA-N 1 0 323.440 4.371 20 30 DIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc2ccccc2c1O ZINC000756734723 1046124098 /nfs/dbraw/zinc/12/40/98/1046124098.db2.gz ZAJWGXHLCJFWNB-CYBMUJFWSA-N 1 0 320.367 4.407 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc2ccccc2c1O ZINC000756734728 1046124728 /nfs/dbraw/zinc/12/47/28/1046124728.db2.gz ZAJWGXHLCJFWNB-ZDUSSCGKSA-N 1 0 320.367 4.407 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902966312 1046132125 /nfs/dbraw/zinc/13/21/25/1046132125.db2.gz DCDKQLWIQLIGHS-KVSKMBFKSA-N 1 0 305.425 4.015 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc(C#N)c1 ZINC000902977177 1046135167 /nfs/dbraw/zinc/13/51/67/1046135167.db2.gz WSQRCOMEOFIMOD-PMACEKPBSA-N 1 0 301.393 4.158 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cc(C#N)ccn1 ZINC000902979059 1046135187 /nfs/dbraw/zinc/13/51/87/1046135187.db2.gz OGANTAJQWDQCMB-FDQGKXFDSA-N 1 0 309.388 4.079 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC001138289082 1046137687 /nfs/dbraw/zinc/13/76/87/1046137687.db2.gz JKLVPJQECUMHJR-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)c1cc(C#N)ccn1 ZINC000903001684 1046139734 /nfs/dbraw/zinc/13/97/34/1046139734.db2.gz XDSDQUSTOBHHQV-BPLDGKMQSA-N 1 0 311.816 4.203 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000903006502 1046139782 /nfs/dbraw/zinc/13/97/82/1046139782.db2.gz JPYFJQMZGXMLOS-OAHLLOKOSA-N 1 0 319.330 4.213 20 30 DIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc(C#N)ccn1 ZINC000903000572 1046139985 /nfs/dbraw/zinc/13/99/85/1046139985.db2.gz LFSKPZGTHWPEGZ-QAPCUYQASA-N 1 0 304.397 4.039 20 30 DIEDRO C[C@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)c1cc(C#N)ccn1 ZINC000903012798 1046141077 /nfs/dbraw/zinc/14/10/77/1046141077.db2.gz UCWGBSSFQHJHMY-ZDUSSCGKSA-N 1 0 311.816 4.033 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)COc2ccc(C)cc2)cc1 ZINC000320922417 1046142066 /nfs/dbraw/zinc/14/20/66/1046142066.db2.gz BRXRCLIEPZXRKD-QGZVFWFLSA-N 1 0 311.425 4.117 20 30 DIEDRO CC[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccc(C#N)c1 ZINC000903013109 1046143347 /nfs/dbraw/zinc/14/33/47/1046143347.db2.gz XANZLUSVNQEZDP-GPANFISMSA-N 1 0 308.372 4.149 20 30 DIEDRO FC1(F)C[C@@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@@H]21 ZINC001138335296 1046152988 /nfs/dbraw/zinc/15/29/88/1046152988.db2.gz LXINICFDCICSAV-UXHICEINSA-N 1 0 323.386 4.173 20 30 DIEDRO N#CC[C@H]1CCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138336283 1046153440 /nfs/dbraw/zinc/15/34/40/1046153440.db2.gz NSJFQPZKGMFFPC-OAQYLSRUSA-N 1 0 314.432 4.212 20 30 DIEDRO C#CCOc1ccc(C[N@H+](CC=C)C2CCCCC2)cc1OC ZINC001138346353 1046155002 /nfs/dbraw/zinc/15/50/02/1046155002.db2.gz BWXBUTBJZZSVMV-UHFFFAOYSA-N 1 0 313.441 4.028 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)c1ccccc1 ZINC000756995385 1046157468 /nfs/dbraw/zinc/15/74/68/1046157468.db2.gz HLFSBRANZQTPIS-LJQANCHMSA-N 1 0 323.436 4.337 20 30 DIEDRO CCc1cccc2c(C[N@@H+]3CCc4ccc(C#N)cc4C3)c[nH]c21 ZINC001138360182 1046157584 /nfs/dbraw/zinc/15/75/84/1046157584.db2.gz OLSISABFTDEIEN-UHFFFAOYSA-N 1 0 315.420 4.160 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1cccc(Br)c1)c1ccccc1 ZINC000756996322 1046158089 /nfs/dbraw/zinc/15/80/89/1046158089.db2.gz QBBQDCMQWWZPBS-KRWDZBQOSA-N 1 0 314.226 4.303 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc2cccc(OC)c2o1)c1ccccc1 ZINC000756996362 1046158105 /nfs/dbraw/zinc/15/81/05/1046158105.db2.gz FASXWOFPRNARII-GOSISDBHSA-N 1 0 305.377 4.296 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1cc2cccc(F)c2o1 ZINC000475702376 1046160536 /nfs/dbraw/zinc/16/05/36/1046160536.db2.gz NJJJHMKVIJJRTD-ZDUSSCGKSA-N 1 0 324.355 4.173 20 30 DIEDRO COc1cccc(F)c1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001138383270 1046161909 /nfs/dbraw/zinc/16/19/09/1046161909.db2.gz DLCBYYCNPLBVHU-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO CCOc1ccc([C@H](CC)[NH2+]CC(C)(C)C#N)cc1OCC ZINC000903100607 1046162378 /nfs/dbraw/zinc/16/23/78/1046162378.db2.gz UNDSHFQZUQACHY-HNNXBMFYSA-N 1 0 304.434 4.074 20 30 DIEDRO CC(=O)OCc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000903103569 1046162793 /nfs/dbraw/zinc/16/27/93/1046162793.db2.gz KABMKPBTLRSQGR-LSDHHAIUSA-N 1 0 322.408 4.033 20 30 DIEDRO CC(C)(C#N)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000903101580 1046163609 /nfs/dbraw/zinc/16/36/09/1046163609.db2.gz JGKMIDASFLDZTN-GFCCVEGCSA-N 1 0 313.264 4.101 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cccc(COC(C)=O)c1)c1ccccc1 ZINC000903131156 1046169326 /nfs/dbraw/zinc/16/93/26/1046169326.db2.gz QXYIUQHFZOONKV-HRAATJIYSA-N 1 0 321.420 4.165 20 30 DIEDRO C=CCC[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cccc(Cl)c1 ZINC000903126666 1046170411 /nfs/dbraw/zinc/17/04/11/1046170411.db2.gz UEBXGQCYGDPIKG-ZSOFBXJNSA-N 1 0 313.894 4.094 20 30 DIEDRO CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccc(C#N)cc1 ZINC000903159660 1046180564 /nfs/dbraw/zinc/18/05/64/1046180564.db2.gz KNBVZHQQJGZIFV-ONQFOCNCSA-N 1 0 300.471 4.273 20 30 DIEDRO CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001138443427 1046182934 /nfs/dbraw/zinc/18/29/34/1046182934.db2.gz DEXPWQRVUGUMRK-INIZCTEOSA-N 1 0 308.425 4.364 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)c1 ZINC000903183462 1046186598 /nfs/dbraw/zinc/18/65/98/1046186598.db2.gz OTSRICLHOHJDQB-OAQYLSRUSA-N 1 0 323.411 4.065 20 30 DIEDRO C=CCC[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc(Cl)c1 ZINC000903226315 1046197977 /nfs/dbraw/zinc/19/79/77/1046197977.db2.gz KRBSUKJOSRMMRV-QGZVFWFLSA-N 1 0 321.848 4.090 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(C)c3ccccc23)ccc1C#N ZINC001202833735 1046199164 /nfs/dbraw/zinc/19/91/64/1046199164.db2.gz RDOLAIQVGGZILT-UHFFFAOYSA-N 1 0 316.404 4.318 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1C ZINC000903233511 1046200537 /nfs/dbraw/zinc/20/05/37/1046200537.db2.gz GNUUQNLHCBKRAV-ZIAGYGMSSA-N 1 0 312.388 4.426 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000610270766 1046203785 /nfs/dbraw/zinc/20/37/85/1046203785.db2.gz KNESPNUFIMBNAN-UHFFFAOYSA-N 1 0 303.837 4.283 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)cc1 ZINC001138559053 1046225208 /nfs/dbraw/zinc/22/52/08/1046225208.db2.gz NHAWVTNZXFZYRS-HXUWFJFHSA-N 1 0 321.420 4.044 20 30 DIEDRO C#CCOc1ccc(C[N@@H+](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC001138559114 1046226092 /nfs/dbraw/zinc/22/60/92/1046226092.db2.gz PIKSFEJGOZNWLB-UHFFFAOYSA-N 1 0 309.453 4.099 20 30 DIEDRO C[C@@H](C#N)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000757908222 1046226331 /nfs/dbraw/zinc/22/63/31/1046226331.db2.gz ZSKWTUWFAQIFIN-ZDUSSCGKSA-N 1 0 302.462 4.236 20 30 DIEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2F)cc1 ZINC001138559643 1046226492 /nfs/dbraw/zinc/22/64/92/1046226492.db2.gz ZMIXENBCXMDQQH-FQEVSTJZSA-N 1 0 309.384 4.175 20 30 DIEDRO C#CC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000756997184 1046229327 /nfs/dbraw/zinc/22/93/27/1046229327.db2.gz VVSBJECCJOBRSG-KRWDZBQOSA-N 1 0 319.326 4.439 20 30 DIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000245510693 1046239683 /nfs/dbraw/zinc/23/96/83/1046239683.db2.gz WSMGVXBNXMTVSE-YWZLYKJASA-N 1 0 306.409 4.097 20 30 DIEDRO C#CC1CC[NH+](Cc2cccc(-c3ccc(OC)cc3)c2)CC1 ZINC001138617928 1046243284 /nfs/dbraw/zinc/24/32/84/1046243284.db2.gz NDIRKXAYVZUSMN-UHFFFAOYSA-N 1 0 305.421 4.207 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+]([C@H](C)c2ccco2)C2CC2)cc1 ZINC000245570542 1046245341 /nfs/dbraw/zinc/24/53/41/1046245341.db2.gz XEDWZGFTMUPYDG-HUUCEWRRSA-N 1 0 310.397 4.296 20 30 DIEDRO C[C@H](c1ccco1)[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000245570546 1046245505 /nfs/dbraw/zinc/24/55/05/1046245505.db2.gz XEDWZGFTMUPYDG-LSDHHAIUSA-N 1 0 310.397 4.296 20 30 DIEDRO C=CCc1cccc(C[N@@H+](C)Cc2cccc3cccnc32)c1O ZINC001138629282 1046245628 /nfs/dbraw/zinc/24/56/28/1046245628.db2.gz SZRRIVLIUWAYAF-UHFFFAOYSA-N 1 0 318.420 4.301 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)c1O ZINC001138628993 1046246401 /nfs/dbraw/zinc/24/64/01/1046246401.db2.gz KHBADBSZLFLIQL-LJQANCHMSA-N 1 0 323.436 4.466 20 30 DIEDRO C=CCc1cccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1O ZINC001138629019 1046247458 /nfs/dbraw/zinc/24/74/58/1046247458.db2.gz LIFHHJPBNUANMI-GOSISDBHSA-N 1 0 307.437 4.185 20 30 DIEDRO C=CCc1cccc(C[N@H+](C)Cc2ccc(Cl)cc2)c1O ZINC001138628822 1046247930 /nfs/dbraw/zinc/24/79/30/1046247930.db2.gz GLBXCSMTGPWEJO-UHFFFAOYSA-N 1 0 301.817 4.406 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903336540 1046248059 /nfs/dbraw/zinc/24/80/59/1046248059.db2.gz ZXTLDHZBZQOQSH-PZJWPPBQSA-N 1 0 317.436 4.462 20 30 DIEDRO C=CCc1cccc(C[N@H+]2CC[C@H](c3cccc(OC)c3)C2)c1O ZINC001138630098 1046249646 /nfs/dbraw/zinc/24/96/46/1046249646.db2.gz QUBDGPVVIIVVDJ-SFHVURJKSA-N 1 0 323.436 4.119 20 30 DIEDRO C=CCc1cccc(C[N@H+](C)CC/C=C/c2cccnc2)c1O ZINC001138630511 1046250133 /nfs/dbraw/zinc/25/01/33/1046250133.db2.gz XZYPQIMUJZRUHR-RUDMXATFSA-N 1 0 308.425 4.051 20 30 DIEDRO C=C(C)COc1ccccc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001138662461 1046259795 /nfs/dbraw/zinc/25/97/95/1046259795.db2.gz YSCARNANPOFKAG-UHFFFAOYSA-N 1 0 303.421 4.356 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC001138659562 1046259850 /nfs/dbraw/zinc/25/98/50/1046259850.db2.gz JAVCPUOTJSAEMF-UHFFFAOYSA-N 1 0 323.411 4.250 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+]1CCCC[C@@H]1CCOC ZINC001138664365 1046261181 /nfs/dbraw/zinc/26/11/81/1046261181.db2.gz OQKREHRDKAAIHI-GOSISDBHSA-N 1 0 303.446 4.033 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000245713914 1046261945 /nfs/dbraw/zinc/26/19/45/1046261945.db2.gz GMKYRNNVICJFNB-YLJYHZDGSA-N 1 0 310.441 4.300 20 30 DIEDRO C=C(C)COc1ccccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001138666074 1046262122 /nfs/dbraw/zinc/26/21/22/1046262122.db2.gz HQAPGUOCUKPXIC-UHFFFAOYSA-N 1 0 306.409 4.145 20 30 DIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245750043 1046264264 /nfs/dbraw/zinc/26/42/64/1046264264.db2.gz NRAHBHNNUMPENG-QGPMSJSTSA-N 1 0 318.486 4.083 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903428348 1046277219 /nfs/dbraw/zinc/27/72/19/1046277219.db2.gz NSEKWGNMQIHWHY-LEWJYISDSA-N 1 0 317.436 4.462 20 30 DIEDRO CCc1cccc2cc(CN3CCC(C#N)CC3)c(Cl)nc21 ZINC001138726346 1046278525 /nfs/dbraw/zinc/27/85/25/1046278525.db2.gz AMFRCXGEQRUWHQ-UHFFFAOYSA-N 1 0 313.832 4.186 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc3cccc(CC)c3nc2Cl)C1 ZINC001138730026 1046281210 /nfs/dbraw/zinc/28/12/10/1046281210.db2.gz PEMYMCHGWMATAS-CQSZACIVSA-N 1 0 312.844 4.296 20 30 DIEDRO N#CCC[N@H+](Cc1cnc2[nH]ccc2c1)C1CCCCCCC1 ZINC001138739213 1046284031 /nfs/dbraw/zinc/28/40/31/1046284031.db2.gz LFDJMTHJSZUBCS-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CCC(C)C)ccc1OC ZINC000089632203 1046293205 /nfs/dbraw/zinc/29/32/05/1046293205.db2.gz ZIAXQCQAJCWZDM-NVXWUHKLSA-N 1 0 318.461 4.290 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)ccc1OC ZINC000089632477 1046294820 /nfs/dbraw/zinc/29/48/20/1046294820.db2.gz RNWHTCBAURZVQU-UAGQMJEPSA-N 1 0 316.445 4.044 20 30 DIEDRO Cc1ccc2cc(C[NH+]3CCC(CC#N)CC3)c(Cl)nc2c1 ZINC001138859834 1046309378 /nfs/dbraw/zinc/30/93/78/1046309378.db2.gz UBSGSVIOYDYWBU-UHFFFAOYSA-N 1 0 313.832 4.322 20 30 DIEDRO CC(C)COc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1 ZINC001138971473 1046347211 /nfs/dbraw/zinc/34/72/11/1046347211.db2.gz NHSMPCULHNSZMD-UHFFFAOYSA-N 1 0 300.446 4.380 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)ccc1OC ZINC000246485221 1046361510 /nfs/dbraw/zinc/36/15/10/1046361510.db2.gz RNWHTCBAURZVQU-DJIMGWMZSA-N 1 0 316.445 4.044 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000748270198 1046362503 /nfs/dbraw/zinc/36/25/03/1046362503.db2.gz UTRYADUVXSSIMZ-BFUOFWGJSA-N 1 0 310.372 4.066 20 30 DIEDRO C=CCOc1ccccc1C[NH+]1CCC2(CCC(C)(C)O2)CC1 ZINC001139030577 1046364568 /nfs/dbraw/zinc/36/45/68/1046364568.db2.gz RBQIKLUHVISGIX-UHFFFAOYSA-N 1 0 315.457 4.175 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC001139036744 1046366387 /nfs/dbraw/zinc/36/63/87/1046366387.db2.gz UQRUXYIGIMFTGN-QGZVFWFLSA-N 1 0 305.421 4.207 20 30 DIEDRO C=CC[N@H+](Cc1cc(Br)cc2cccnc21)C(C)C ZINC000759689598 1046372676 /nfs/dbraw/zinc/37/26/76/1046372676.db2.gz AUVBIEVLVLHVAA-UHFFFAOYSA-N 1 0 319.246 4.394 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000610830366 1046379052 /nfs/dbraw/zinc/37/90/52/1046379052.db2.gz OLSBFGSZJJVIPM-JLTOFOAXSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1cccc(C#N)c1 ZINC000610829711 1046379591 /nfs/dbraw/zinc/37/95/91/1046379591.db2.gz GHVDJFBBBHSEPU-MNOVXSKESA-N 1 0 304.315 4.387 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000610830367 1046380239 /nfs/dbraw/zinc/38/02/39/1046380239.db2.gz OLSBFGSZJJVIPM-VBKZILBWSA-N 1 0 306.409 4.295 20 30 DIEDRO CCn1ccc2c1cccc2C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001139153728 1046396326 /nfs/dbraw/zinc/39/63/26/1046396326.db2.gz WWRVDIKODUQOAW-UHFFFAOYSA-N 1 0 315.420 4.091 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665824 1046407533 /nfs/dbraw/zinc/40/75/33/1046407533.db2.gz MFCBNMXRCHNAJY-RTBURBONSA-N 1 0 306.409 4.317 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCC(S)CC3)s2)cc1 ZINC001139288131 1046425704 /nfs/dbraw/zinc/42/57/04/1046425704.db2.gz RVUOSHWRJIEUBC-UHFFFAOYSA-N 1 0 319.495 4.318 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](CC)c2c(C)noc2C)cc1 ZINC000090887368 1046427600 /nfs/dbraw/zinc/42/76/00/1046427600.db2.gz WSLLHWGGZOSYNG-SCLBCKFNSA-N 1 0 312.413 4.105 20 30 DIEDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](c1cccc(C#N)c1)C(C)C)C2 ZINC001168241031 1046440007 /nfs/dbraw/zinc/44/00/07/1046440007.db2.gz DRPLMHBDYUZVGE-PZJWPPBQSA-N 1 0 320.436 4.021 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000781420198 1046442609 /nfs/dbraw/zinc/44/26/09/1046442609.db2.gz JBBYCTSJGKHWKZ-CHWSQXEVSA-N 1 0 300.352 4.291 20 30 DIEDRO N#Cc1ccnc(-c2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc2)c1 ZINC001139402450 1046443720 /nfs/dbraw/zinc/44/37/20/1046443720.db2.gz RTSBIVRPHQLPKU-WOJBJXKFSA-N 1 0 317.436 4.242 20 30 DIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405085 1046444130 /nfs/dbraw/zinc/44/41/30/1046444130.db2.gz IPOLMKTXUICVTH-HZPDHXFCSA-N 1 0 305.425 4.098 20 30 DIEDRO C=C(C[NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1 ZINC000676900191 1046444777 /nfs/dbraw/zinc/44/47/77/1046444777.db2.gz HTAFVQPDQJVAJT-UHFFFAOYSA-N 1 0 311.816 4.030 20 30 DIEDRO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1C#N ZINC000486697965 1046445168 /nfs/dbraw/zinc/44/51/68/1046445168.db2.gz LWXFHBPJAHUWBD-UHFFFAOYSA-N 1 0 303.409 4.149 20 30 DIEDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407172 1046445786 /nfs/dbraw/zinc/44/57/86/1046445786.db2.gz SMSWJGTWUVPWDT-JKSUJKDBSA-N 1 0 305.425 4.241 20 30 DIEDRO CC(C)[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)CC1CC1 ZINC001139425916 1046448278 /nfs/dbraw/zinc/44/82/78/1046448278.db2.gz XYSSZSAFSBSEKZ-UHFFFAOYSA-N 1 0 321.424 4.366 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CCCCCC3)cn2)cc1 ZINC001139423235 1046448979 /nfs/dbraw/zinc/44/89/79/1046448979.db2.gz APXAQADNCUXING-UHFFFAOYSA-N 1 0 307.397 4.122 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](C)C1 ZINC001139425911 1046449001 /nfs/dbraw/zinc/44/90/01/1046449001.db2.gz XYJIRWUVJHJFJT-HZPDHXFCSA-N 1 0 321.424 4.366 20 30 DIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427453 1046450409 /nfs/dbraw/zinc/45/04/09/1046450409.db2.gz GOSWKBVZLYKQKQ-IYBDPMFKSA-N 1 0 321.424 4.223 20 30 DIEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427614 1046450685 /nfs/dbraw/zinc/45/06/85/1046450685.db2.gz MUCBGGVKHYBPQH-MRXNPFEDSA-N 1 0 321.424 4.368 20 30 DIEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139428275 1046450899 /nfs/dbraw/zinc/45/08/99/1046450899.db2.gz IEMLHQNGELGKSK-IBGZPJMESA-N 1 0 321.424 4.366 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCCCC34CC4)cn2)cc1 ZINC001139427991 1046450952 /nfs/dbraw/zinc/45/09/52/1046450952.db2.gz XODJNAOHSIXDIV-UHFFFAOYSA-N 1 0 319.408 4.264 20 30 DIEDRO N#CCC1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000781572708 1046457049 /nfs/dbraw/zinc/45/70/49/1046457049.db2.gz SPUHXJFMFYAXOS-UHFFFAOYSA-N 1 0 324.424 4.143 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccsc2)nc1 ZINC001139504199 1046458467 /nfs/dbraw/zinc/45/84/67/1046458467.db2.gz QMNVZNCQUFJCCW-XGBSXSJOSA-N 1 0 309.438 4.077 20 30 DIEDRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1CCCCC#N ZINC000125932939 1046474088 /nfs/dbraw/zinc/47/40/88/1046474088.db2.gz CWMWOVWKADDAHD-OAHLLOKOSA-N 1 0 322.884 4.332 20 30 DIEDRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000125932685 1046474314 /nfs/dbraw/zinc/47/43/14/1046474314.db2.gz CWMWOVWKADDAHD-HNNXBMFYSA-N 1 0 322.884 4.332 20 30 DIEDRO C=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000677237636 1046476136 /nfs/dbraw/zinc/47/61/36/1046476136.db2.gz LBQAULYXIMTTQC-RXVVDRJESA-N 1 0 307.437 4.457 20 30 DIEDRO C=C(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000677237635 1046476709 /nfs/dbraw/zinc/47/67/09/1046476709.db2.gz LBQAULYXIMTTQC-NQIIRXRSSA-N 1 0 307.437 4.457 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000127595212 1046484839 /nfs/dbraw/zinc/48/48/39/1046484839.db2.gz MZZSRBUNLOILBA-MRXNPFEDSA-N 1 0 314.454 4.088 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000781914281 1046486223 /nfs/dbraw/zinc/48/62/23/1046486223.db2.gz WMFACJDYJWJVLD-MGPUTAFESA-N 1 0 306.409 4.060 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccnc(Cl)c2)cc1 ZINC000795591363 1046493052 /nfs/dbraw/zinc/49/30/52/1046493052.db2.gz MBBCLWKILGZDNT-CYBMUJFWSA-N 1 0 302.805 4.151 20 30 DIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1cccc(Cl)c1C#N ZINC001139692248 1046499276 /nfs/dbraw/zinc/49/92/76/1046499276.db2.gz SQOGWIOGCPSYCB-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001139692175 1046499293 /nfs/dbraw/zinc/49/92/93/1046499293.db2.gz PYDYDNISVNFFKN-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO N#Cc1cccc2c(C[N@H+]3CC[C@@H](c4ccccc4F)C3)c[nH]c21 ZINC001139702902 1046500637 /nfs/dbraw/zinc/50/06/37/1046500637.db2.gz CIFPTOWDDKCLJP-OAHLLOKOSA-N 1 0 319.383 4.168 20 30 DIEDRO N#Cc1cccc2c(C[N@H+]3CC[C@@H](c4ccc(F)cc4)C3)c[nH]c21 ZINC001139706294 1046500977 /nfs/dbraw/zinc/50/09/77/1046500977.db2.gz PZVAUNPRHXUGLW-MRXNPFEDSA-N 1 0 319.383 4.168 20 30 DIEDRO C#CC[N@@H+](Cc1c(C)cc(O)cc1C)[C@@H]1CCc2ccccc21 ZINC001139714663 1046503869 /nfs/dbraw/zinc/50/38/69/1046503869.db2.gz IHTRTDZYJLWPMV-OAQYLSRUSA-N 1 0 305.421 4.132 20 30 DIEDRO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC001202963551 1046504717 /nfs/dbraw/zinc/50/47/17/1046504717.db2.gz BSIADBZUXCCDAI-UHFFFAOYSA-N 1 0 314.816 4.095 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(Cl)cnc1OC ZINC001139750090 1046510945 /nfs/dbraw/zinc/51/09/45/1046510945.db2.gz SLYQRZJXCWXYKX-UHFFFAOYSA-N 1 0 316.832 4.322 20 30 DIEDRO C=CCC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1ccccc1 ZINC001137308767 1046514095 /nfs/dbraw/zinc/51/40/95/1046514095.db2.gz DHHWNORLIPPBIZ-UHFFFAOYSA-N 1 0 305.425 4.221 20 30 DIEDRO C[C@H]([NH2+]CCCCCCO)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000782523847 1046531575 /nfs/dbraw/zinc/53/15/75/1046531575.db2.gz MHNLOAQOOZJIPN-KRWDZBQOSA-N 1 0 322.452 4.429 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1ccc2nc(C)ccc2c1)c1ccncc1 ZINC000782529379 1046533785 /nfs/dbraw/zinc/53/37/85/1046533785.db2.gz MCSQSDVTGCSRIV-IBGZPJMESA-N 1 0 303.409 4.345 20 30 DIEDRO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC001139876145 1046539071 /nfs/dbraw/zinc/53/90/71/1046539071.db2.gz MURUUZFFXHONOU-INIZCTEOSA-N 1 0 314.791 4.340 20 30 DIEDRO C[N@H+](Cc1cc(F)cc(C#N)c1)Cc1cccc2ccccc21 ZINC001139874787 1046539701 /nfs/dbraw/zinc/53/97/01/1046539701.db2.gz LYWQFEADRVOKFQ-UHFFFAOYSA-N 1 0 304.368 4.483 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1-c1cncnc1)C1CCCCC1 ZINC001140024112 1046572364 /nfs/dbraw/zinc/57/23/64/1046572364.db2.gz YHPNOMJBJQSCNM-UHFFFAOYSA-N 1 0 307.441 4.464 20 30 DIEDRO CCC[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccn1 ZINC000729678724 1046575914 /nfs/dbraw/zinc/57/59/14/1046575914.db2.gz HTMQYBAOSWOKKN-LJQANCHMSA-N 1 0 322.456 4.062 20 30 DIEDRO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000783300419 1046577672 /nfs/dbraw/zinc/57/76/72/1046577672.db2.gz LZJNHAZUDOERGD-MRXNPFEDSA-N 1 0 323.440 4.373 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000783325281 1046582706 /nfs/dbraw/zinc/58/27/06/1046582706.db2.gz IDMWIVUNKSKFFI-JONQDZQNSA-N 1 0 310.482 4.013 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)CC1 ZINC001140096259 1046587348 /nfs/dbraw/zinc/58/73/48/1046587348.db2.gz NPNKGIPLIMZXMW-ZDUSSCGKSA-N 1 0 315.417 4.075 20 30 DIEDRO C[N@H+](CCCc1ccccc1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140113809 1046590190 /nfs/dbraw/zinc/59/01/90/1046590190.db2.gz DIOFJBIVOREVIP-UHFFFAOYSA-N 1 0 303.409 4.104 20 30 DIEDRO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1cccc(Cl)c1 ZINC001140114423 1046590294 /nfs/dbraw/zinc/59/02/94/1046590294.db2.gz PETMTSZDOMWQQE-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H](c4ccc(F)cc4)C3)c2c1 ZINC001140115008 1046590420 /nfs/dbraw/zinc/59/04/20/1046590420.db2.gz JGWVWQQZAFPBPO-MRXNPFEDSA-N 1 0 319.383 4.168 20 30 DIEDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110297 1046590862 /nfs/dbraw/zinc/59/08/62/1046590862.db2.gz IMKARARIKWUEPH-CQSZACIVSA-N 1 0 301.393 4.159 20 30 DIEDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115013 1046591729 /nfs/dbraw/zinc/59/17/29/1046591729.db2.gz JOVBBRUZZNIEMK-UHFFFAOYSA-N 1 0 323.827 4.367 20 30 DIEDRO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)C12CC3CC(CC(C3)C1)C2 ZINC001140114657 1046592955 /nfs/dbraw/zinc/59/29/55/1046592955.db2.gz VKTADGAOSUOSTR-UHFFFAOYSA-N 1 0 319.452 4.440 20 30 DIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cc1 ZINC001140115286 1046595544 /nfs/dbraw/zinc/59/55/44/1046595544.db2.gz SWCUKPNTZFUVDL-CQSZACIVSA-N 1 0 319.408 4.241 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000678239243 1046595666 /nfs/dbraw/zinc/59/56/66/1046595666.db2.gz XKDGCNSLENLSSB-NRFANRHFSA-N 1 0 323.436 4.215 20 30 DIEDRO CC[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccc(OC)cc1 ZINC001140116183 1046595898 /nfs/dbraw/zinc/59/58/98/1046595898.db2.gz USGIXNCLLGRACY-UHFFFAOYSA-N 1 0 319.408 4.070 20 30 DIEDRO COc1cccc([C@@H]2CCCCN2Cc2ccc(C#N)cc2F)c1 ZINC001140137292 1046597378 /nfs/dbraw/zinc/59/73/78/1046597378.db2.gz BCOJTYNSPZURCD-FQEVSTJZSA-N 1 0 324.399 4.433 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c(F)c1 ZINC001140136264 1046598086 /nfs/dbraw/zinc/59/80/86/1046598086.db2.gz RMUYPHFCUFGKSG-UHFFFAOYSA-N 1 0 318.395 4.258 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(OCC#N)cc1 ZINC000729686048 1046598945 /nfs/dbraw/zinc/59/89/45/1046598945.db2.gz ULVGRVCTCSNAMD-SUNYJGFJSA-N 1 0 310.397 4.156 20 30 DIEDRO N#Cc1ccc(CN2CCC[C@H]2c2ccc(F)cc2F)c(F)c1 ZINC001140139754 1046598901 /nfs/dbraw/zinc/59/89/01/1046598901.db2.gz CYBCWLRLHAUOFC-SFHVURJKSA-N 1 0 316.326 4.313 20 30 DIEDRO N#CCC[N@H+](Cc1ccc(-c2ccncc2)cc1)C1CCCC1 ZINC001140172813 1046608124 /nfs/dbraw/zinc/60/81/24/1046608124.db2.gz CLBVPOMMTKIFEN-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc1 ZINC000093115516 1046610706 /nfs/dbraw/zinc/61/07/06/1046610706.db2.gz AXRALPWBJNZOQT-GFCCVEGCSA-N 1 0 305.830 4.264 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@H]2CCCC[C@H]12 ZINC000783592753 1046613850 /nfs/dbraw/zinc/61/38/50/1046613850.db2.gz JGZGTBKIZVWNLX-AHRSYUTCSA-N 1 0 311.473 4.047 20 30 DIEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000093453445 1046629717 /nfs/dbraw/zinc/62/97/17/1046629717.db2.gz IUCKOHODJJUAHD-NRFANRHFSA-N 1 0 320.436 4.129 20 30 DIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000532967643 1046631322 /nfs/dbraw/zinc/63/13/22/1046631322.db2.gz ZRYNWVWLPCJKPA-OAHLLOKOSA-N 1 0 306.425 4.139 20 30 DIEDRO C=CCCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001140295985 1046643115 /nfs/dbraw/zinc/64/31/15/1046643115.db2.gz SSXNXZDGGSQJBL-SFHVURJKSA-N 1 0 306.494 4.036 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(O[C@H](C#N)CC)c1)c1ccncc1 ZINC000834650643 1046644521 /nfs/dbraw/zinc/64/45/21/1046644521.db2.gz OQZCUKQTNJQSBB-PKOBYXMFSA-N 1 0 309.413 4.003 20 30 DIEDRO COc1cccc(C2=CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000533075086 1046649884 /nfs/dbraw/zinc/64/98/84/1046649884.db2.gz GWLAOFAKHLNACV-INIZCTEOSA-N 1 0 318.420 4.417 20 30 DIEDRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000533079642 1046650922 /nfs/dbraw/zinc/65/09/22/1046650922.db2.gz WYBKQNZHIAPWJQ-INIZCTEOSA-N 1 0 312.438 4.138 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1cccnc1 ZINC001140320308 1046653150 /nfs/dbraw/zinc/65/31/50/1046653150.db2.gz INTQRPOEFDSOAC-OHFIKTQHSA-N 1 0 303.409 4.015 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1cccnc1 ZINC001140318987 1046653871 /nfs/dbraw/zinc/65/38/71/1046653871.db2.gz SCIWIUFQLNJXLQ-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO CC[C@@H](CSc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000533104567 1046656299 /nfs/dbraw/zinc/65/62/99/1046656299.db2.gz YRCYGNGYGJJKOX-INIZCTEOSA-N 1 0 314.429 4.358 20 30 DIEDRO N#CCc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000784158421 1046668111 /nfs/dbraw/zinc/66/81/11/1046668111.db2.gz LCBGMFPMHBAWQD-IBGZPJMESA-N 1 0 312.363 4.368 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cncnc2)cc1 ZINC001140353748 1046672031 /nfs/dbraw/zinc/67/20/31/1046672031.db2.gz RHKPMQLJXSRQJX-UHFFFAOYSA-N 1 0 315.420 4.332 20 30 DIEDRO C[C@H](O)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000795787239 1046676358 /nfs/dbraw/zinc/67/63/58/1046676358.db2.gz PWVGZHBIIPSXNM-BTYIYWSLSA-N 1 0 320.436 4.169 20 30 DIEDRO C=C(Br)C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000795795487 1046679282 /nfs/dbraw/zinc/67/92/82/1046679282.db2.gz YBVMHLSHUZMXAV-SNVBAGLBSA-N 1 0 322.168 4.135 20 30 DIEDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000795802097 1046680515 /nfs/dbraw/zinc/68/05/15/1046680515.db2.gz XTILYAKEYJYWDC-NIKGAXFTSA-N 1 0 324.424 4.021 20 30 DIEDRO C[N@H+](CCc1ccccc1F)Cc1ccc(C#N)cc1Cl ZINC000784342199 1046683215 /nfs/dbraw/zinc/68/32/15/1046683215.db2.gz OWDYBPDPXLPHIQ-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccnc(Cl)c1 ZINC000795838909 1046685985 /nfs/dbraw/zinc/68/59/85/1046685985.db2.gz IZNAFDUNKOOWMA-SJCJKPOMSA-N 1 0 311.816 4.335 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000533288472 1046687107 /nfs/dbraw/zinc/68/71/07/1046687107.db2.gz LCYBTDCHVTWOIX-UHFFFAOYSA-N 1 0 312.816 4.096 20 30 DIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000533309298 1046689409 /nfs/dbraw/zinc/68/94/09/1046689409.db2.gz DVGILCOYIDNYGC-PMACEKPBSA-N 1 0 324.399 4.016 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678715868 1046691706 /nfs/dbraw/zinc/69/17/06/1046691706.db2.gz GSYCQHNAIMEVBZ-HBNTYKKESA-N 1 0 303.290 4.404 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccccc1-c1cccc(Br)n1 ZINC001140407859 1046691823 /nfs/dbraw/zinc/69/18/23/1046691823.db2.gz ILMXCUFADGEYHO-UHFFFAOYSA-N 1 0 317.230 4.129 20 30 DIEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000678747902 1046693254 /nfs/dbraw/zinc/69/32/54/1046693254.db2.gz FLYFUXJFOZTHNW-KBXCAEBGSA-N 1 0 315.388 4.206 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)CCCCO)cc1 ZINC000834878091 1046695049 /nfs/dbraw/zinc/69/50/49/1046695049.db2.gz MQPGJGBTZKVQBU-CABCVRRESA-N 1 0 311.853 4.020 20 30 DIEDRO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000533324221 1046695253 /nfs/dbraw/zinc/69/52/53/1046695253.db2.gz RAGOTVMFNVRRDN-HNNXBMFYSA-N 1 0 324.424 4.159 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cnccc2C)cc1 ZINC000834886943 1046699948 /nfs/dbraw/zinc/69/99/48/1046699948.db2.gz GFBKXSSYJWXIHK-OAHLLOKOSA-N 1 0 316.832 4.372 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H]2CCSc3ccc(OC)cc32)c1 ZINC000834901764 1046712388 /nfs/dbraw/zinc/71/23/88/1046712388.db2.gz BQZCCSSXDFHCPL-GOSISDBHSA-N 1 0 309.434 4.003 20 30 DIEDRO C#Cc1cccc(C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)c1 ZINC000834904027 1046716249 /nfs/dbraw/zinc/71/62/49/1046716249.db2.gz USXCYCRUSKMGBT-LJQANCHMSA-N 1 0 320.392 4.002 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000834904200 1046716360 /nfs/dbraw/zinc/71/63/60/1046716360.db2.gz WGMWIHZSEKIRBU-IBGZPJMESA-N 1 0 324.399 4.263 20 30 DIEDRO C=CC[N@@H+](Cc1cnc2ccc(Cl)cn12)C1CCCCC1 ZINC001140432213 1046720594 /nfs/dbraw/zinc/72/05/94/1046720594.db2.gz BJWRVTGXDXWOAQ-UHFFFAOYSA-N 1 0 303.837 4.308 20 30 DIEDRO C[N@H+](Cc1c[nH]c2cccc(Cl)c12)Cc1ccc(C#N)cc1 ZINC001140436989 1046722874 /nfs/dbraw/zinc/72/28/74/1046722874.db2.gz YBWHBDOPKIYZQE-UHFFFAOYSA-N 1 0 309.800 4.325 20 30 DIEDRO C=CCN1CCC([NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000678927076 1046734528 /nfs/dbraw/zinc/73/45/28/1046734528.db2.gz HDRIDGGYTQVNDG-LJQANCHMSA-N 1 0 300.490 4.404 20 30 DIEDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000835041533 1046747378 /nfs/dbraw/zinc/74/73/78/1046747378.db2.gz MUBHHUXBIMRHGI-NJRZHNRPSA-N 1 0 319.452 4.400 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140491013 1046752222 /nfs/dbraw/zinc/75/22/22/1046752222.db2.gz LFIIGWSSCZUTPF-UHFFFAOYSA-N 1 0 303.446 4.272 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)c(OCC2CC2)c1)C(C)(C)C ZINC001140492281 1046752340 /nfs/dbraw/zinc/75/23/40/1046752340.db2.gz RZXSBLJDNBAHLM-UHFFFAOYSA-N 1 0 303.446 4.271 20 30 DIEDRO C=CCCc1ccccc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455387747 1046759217 /nfs/dbraw/zinc/75/92/17/1046759217.db2.gz UGTQBOMUXGVCIV-UHFFFAOYSA-N 1 0 317.477 4.047 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000679026099 1046759753 /nfs/dbraw/zinc/75/97/53/1046759753.db2.gz VTLQTBSOUZXOKB-MOPGFXCFSA-N 1 0 321.468 4.335 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1Nc1cccc(OC)c1C#N ZINC001211996019 1046765381 /nfs/dbraw/zinc/76/53/81/1046765381.db2.gz PWXJDNUGHJTAAP-UHFFFAOYSA-N 1 0 309.413 4.152 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796977489 1046766084 /nfs/dbraw/zinc/76/60/84/1046766084.db2.gz JIASEHOYARWMKO-VBQJREDUSA-N 1 0 323.864 4.289 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)c2ccc3c(c2)CCO3)cc1 ZINC000797006581 1046771762 /nfs/dbraw/zinc/77/17/62/1046771762.db2.gz JRCYORLCJXHHIP-HXUWFJFHSA-N 1 0 323.436 4.427 20 30 DIEDRO CCC[N@H+](CCc1ccccn1)Cc1cc(C#N)ccc1Cl ZINC001140602940 1046805026 /nfs/dbraw/zinc/80/50/26/1046805026.db2.gz UZLSMIUUBVBUSA-UHFFFAOYSA-N 1 0 313.832 4.061 20 30 DIEDRO C[N@H+](CC/C=C/c1cccnc1)Cc1cc(C#N)ccc1Cl ZINC001140604117 1046807833 /nfs/dbraw/zinc/80/78/33/1046807833.db2.gz QQPUMRQWZMPTEC-GORDUTHDSA-N 1 0 311.816 4.142 20 30 DIEDRO C[N@H+](CCc1ccccc1F)Cc1cc(C#N)ccc1Cl ZINC001140603749 1046808663 /nfs/dbraw/zinc/80/86/63/1046808663.db2.gz AYBFALCXJPPOFV-UHFFFAOYSA-N 1 0 302.780 4.025 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@@H+](Cc1csc3ccccc13)CC2 ZINC001140636576 1046821121 /nfs/dbraw/zinc/82/11/21/1046821121.db2.gz MTKASVBXQGRMEV-UHFFFAOYSA-N 1 0 304.418 4.331 20 30 DIEDRO N#CCCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796285749 1046830916 /nfs/dbraw/zinc/83/09/16/1046830916.db2.gz WGCVFGWHMARMAK-UHFFFAOYSA-N 1 0 319.452 4.033 20 30 DIEDRO COc1ccc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)c(C)c1 ZINC001140678243 1046847574 /nfs/dbraw/zinc/84/75/74/1046847574.db2.gz VYSILUBTXISSCH-UHFFFAOYSA-N 1 0 320.436 4.255 20 30 DIEDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000797605555 1046870967 /nfs/dbraw/zinc/87/09/67/1046870967.db2.gz QOLBXZAHDSJNGU-UHFFFAOYSA-N 1 0 319.452 4.106 20 30 DIEDRO C=CCOCC[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000679576936 1046872936 /nfs/dbraw/zinc/87/29/36/1046872936.db2.gz ZACBUOGVNDPNTQ-HNNXBMFYSA-N 1 0 301.352 4.195 20 30 DIEDRO C=CC[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccncc1 ZINC000796308328 1046876696 /nfs/dbraw/zinc/87/66/96/1046876696.db2.gz PSLMBNHOBAVWMI-YZTRRJNXSA-N 1 0 300.352 4.280 20 30 DIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000303171388 1046884475 /nfs/dbraw/zinc/88/44/75/1046884475.db2.gz JGQOPOQQEVGSNB-SFHVURJKSA-N 1 0 308.400 4.467 20 30 DIEDRO CCC[N@H+](Cc1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140753258 1046885080 /nfs/dbraw/zinc/88/50/80/1046885080.db2.gz DBEOAFPXEMRTPR-UHFFFAOYSA-N 1 0 300.352 4.249 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000614963244 1046892632 /nfs/dbraw/zinc/89/26/32/1046892632.db2.gz ZCAGDYBSVFDZDP-HNAYVOBHSA-N 1 0 308.450 4.409 20 30 DIEDRO N#Cc1ccc(OC2CC[NH+]([C@H]3CCc4ccccc43)CC2)cc1 ZINC000614963218 1046892675 /nfs/dbraw/zinc/89/26/75/1046892675.db2.gz VMUYODAIPJTLGC-NRFANRHFSA-N 1 0 318.420 4.089 20 30 DIEDRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001140782001 1046896316 /nfs/dbraw/zinc/89/63/16/1046896316.db2.gz YLBAUXHCKDDYLU-HXUWFJFHSA-N 1 0 324.399 4.049 20 30 DIEDRO C#CC[N@@H+](Cc1cc(O)cc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC001140797942 1046904892 /nfs/dbraw/zinc/90/48/92/1046904892.db2.gz WXCDYEVGQUNWJL-LJQANCHMSA-N 1 0 311.812 4.168 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1Cl ZINC001140812801 1046910803 /nfs/dbraw/zinc/91/08/03/1046910803.db2.gz LMCXEJYKMWTVKK-IYBDPMFKSA-N 1 0 308.812 4.298 20 30 DIEDRO C[NH+](C)[C@@H](CNc1ccc(Cl)cc1C#N)c1cccc(F)c1 ZINC000303333307 1046911380 /nfs/dbraw/zinc/91/13/80/1046911380.db2.gz BYACWFGAWPYRJW-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000797999294 1046917345 /nfs/dbraw/zinc/91/73/45/1046917345.db2.gz SONVUEZIYGRDLF-BJLQDIEVSA-N 1 0 315.457 4.034 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc(C#N)c(Cl)c1 ZINC000303462882 1046920486 /nfs/dbraw/zinc/92/04/86/1046920486.db2.gz LZFCKAUXEFDWTF-CQSZACIVSA-N 1 0 305.853 4.278 20 30 DIEDRO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796355815 1046933358 /nfs/dbraw/zinc/93/33/58/1046933358.db2.gz GZIMMOMNJALYRW-HXUWFJFHSA-N 1 0 322.452 4.162 20 30 DIEDRO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000303665897 1046940981 /nfs/dbraw/zinc/94/09/81/1046940981.db2.gz FGVGSTBDDRXCPI-HNAYVOBHSA-N 1 0 308.450 4.237 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000303680587 1046946624 /nfs/dbraw/zinc/94/66/24/1046946624.db2.gz IWSBRASTJCMAQT-QGZVFWFLSA-N 1 0 320.436 4.410 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796369073 1046953906 /nfs/dbraw/zinc/95/39/06/1046953906.db2.gz ZSTYOKPRQWQULN-HWOWSKLDSA-N 1 0 310.482 4.014 20 30 DIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2OC)cc1 ZINC000303722375 1046954384 /nfs/dbraw/zinc/95/43/84/1046954384.db2.gz YBZJVCUDBPMOFE-AWEZNQCLSA-N 1 0 311.429 4.136 20 30 DIEDRO CC1(C#N)CC[NH+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941387 1046956185 /nfs/dbraw/zinc/95/61/85/1046956185.db2.gz IQBAMXWFLDERDS-UHFFFAOYSA-N 1 0 313.832 4.256 20 30 DIEDRO C[NH+](C)[C@@H](CNc1cc(Cl)ccc1C#N)c1cccc(F)c1 ZINC000303761049 1046961886 /nfs/dbraw/zinc/96/18/86/1046961886.db2.gz KUGDHDYBBGYGMD-KRWDZBQOSA-N 1 0 317.795 4.066 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000615096195 1046963624 /nfs/dbraw/zinc/96/36/24/1046963624.db2.gz XXJYGSTYOXJFCN-RBUKOAKNSA-N 1 0 322.383 4.188 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000615096196 1046963820 /nfs/dbraw/zinc/96/38/20/1046963820.db2.gz XXJYGSTYOXJFCN-RTBURBONSA-N 1 0 322.383 4.188 20 30 DIEDRO COc1ccc2cc(CNC(=[NH2+])Nc3cccc(C)c3)ccc2c1 ZINC000303787745 1046964297 /nfs/dbraw/zinc/96/42/97/1046964297.db2.gz SSYLWLGLQVBEKN-UHFFFAOYSA-N 1 0 319.408 4.084 20 30 DIEDRO Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC(CC#N)CC1 ZINC001140964202 1046964794 /nfs/dbraw/zinc/96/47/94/1046964794.db2.gz UWVONAICRPSNRZ-UHFFFAOYSA-N 1 0 312.335 4.019 20 30 DIEDRO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001140963633 1046965152 /nfs/dbraw/zinc/96/51/52/1046965152.db2.gz BBLWXHZDVOKLEO-CYBMUJFWSA-N 1 0 312.335 4.019 20 30 DIEDRO Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001140965352 1046965213 /nfs/dbraw/zinc/96/52/13/1046965213.db2.gz GWKADVCOPZDIDD-UHFFFAOYSA-N 1 0 312.335 4.019 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccccn2)s1 ZINC001141001848 1046975891 /nfs/dbraw/zinc/97/58/91/1046975891.db2.gz DOBAYECIHMHEND-QKDCVEJESA-N 1 0 309.438 4.077 20 30 DIEDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000798925417 1046987576 /nfs/dbraw/zinc/98/75/76/1046987576.db2.gz AMIYDYWWWYUYFB-CYBMUJFWSA-N 1 0 318.342 4.298 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000798961904 1046993454 /nfs/dbraw/zinc/99/34/54/1046993454.db2.gz HPIZVFGJKBGNOF-HNNXBMFYSA-N 1 0 309.523 4.451 20 30 DIEDRO C=CC[N@@H+](Cc1c2cc[nH]c2ncc1Cl)C1CCCCC1 ZINC001138954401 1047004290 /nfs/dbraw/zinc/00/42/90/1047004290.db2.gz KCUMINWKWWVNKU-UHFFFAOYSA-N 1 0 303.837 4.489 20 30 DIEDRO CC[C@](C)([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000799155591 1047005030 /nfs/dbraw/zinc/00/50/30/1047005030.db2.gz XAOQYDZSLKFRIL-SFHVURJKSA-N 1 0 300.446 4.002 20 30 DIEDRO CC[C@@](C)([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000799155588 1047007130 /nfs/dbraw/zinc/00/71/30/1047007130.db2.gz XAOQYDZSLKFRIL-GOSISDBHSA-N 1 0 300.446 4.002 20 30 DIEDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000237482265 1047015952 /nfs/dbraw/zinc/01/59/52/1047015952.db2.gz WQAHRQYKYCSXAJ-QZTJIDSGSA-N 1 0 322.452 4.315 20 30 DIEDRO Cc1ccc(CN(C)Cc2sc(N)c(C#N)c2Cl)cc1C ZINC001141113838 1047017145 /nfs/dbraw/zinc/01/71/45/1047017145.db2.gz SYLCWSSBYPYNGJ-UHFFFAOYSA-N 1 0 319.861 4.104 20 30 DIEDRO N#Cc1c(N)sc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1Cl ZINC001141113407 1047017850 /nfs/dbraw/zinc/01/78/50/1047017850.db2.gz GPQZHGWVDAFHIZ-PWSUYJOCSA-N 1 0 309.866 4.010 20 30 DIEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000273425299 1047018666 /nfs/dbraw/zinc/01/86/66/1047018666.db2.gz KDSYIDVWEJROJQ-QYZOEREBSA-N 1 0 303.421 4.380 20 30 DIEDRO N#Cc1c(N)sc(CN(Cc2ccccc2)C2CC2)c1Cl ZINC001141113012 1047019287 /nfs/dbraw/zinc/01/92/87/1047019287.db2.gz UJIQVBCOYGZCPJ-UHFFFAOYSA-N 1 0 317.845 4.020 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141117875 1047019780 /nfs/dbraw/zinc/01/97/80/1047019780.db2.gz AHJIEXNHMWQLAB-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(SCC)cc2)CC1 ZINC000533787237 1047020779 /nfs/dbraw/zinc/02/07/79/1047020779.db2.gz SGHGMVZLUWKTLG-INIZCTEOSA-N 1 0 318.530 4.490 20 30 DIEDRO CC1(C)CCc2cc(C[N@H+](CCC#N)C3CCCC3)ccc2O1 ZINC001141183622 1047037258 /nfs/dbraw/zinc/03/72/58/1047037258.db2.gz QDTNXLTZRCWHKR-UHFFFAOYSA-N 1 0 312.457 4.448 20 30 DIEDRO CCO[C@H](CCNC(=[NH2+])Nc1cc(C)cc(C)c1)C1CCCC1 ZINC000304495890 1047038713 /nfs/dbraw/zinc/03/87/13/1047038713.db2.gz NNXPMMXGBPQKHC-GOSISDBHSA-N 1 0 317.477 4.015 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c(F)c1 ZINC001141196872 1047043135 /nfs/dbraw/zinc/04/31/35/1047043135.db2.gz WKYDKZXPNQZJDU-SFHVURJKSA-N 1 0 324.399 4.049 20 30 DIEDRO Cc1cc(C)cc(NC(=[NH2+])NCCCc2c[nH]c3ccccc23)c1 ZINC000304755131 1047051470 /nfs/dbraw/zinc/05/14/70/1047051470.db2.gz MJQHMYRLVQZBRB-UHFFFAOYSA-N 1 0 320.440 4.144 20 30 DIEDRO C[C@@H]1SCCN(Cc2ccc(C#N)s2)[C@@H]1c1ccccc1 ZINC000536661812 1047053350 /nfs/dbraw/zinc/05/33/50/1047053350.db2.gz FUSOCWYXDIMAMD-GUYCJALGSA-N 1 0 314.479 4.298 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)cc1 ZINC000799729484 1047059238 /nfs/dbraw/zinc/05/92/38/1047059238.db2.gz TXQVRFPATXWESX-INIZCTEOSA-N 1 0 318.420 4.073 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCCC34CC4)cc2)cc1 ZINC001141287666 1047076919 /nfs/dbraw/zinc/07/69/19/1047076919.db2.gz KBXHTEJPMFHQSA-UHFFFAOYSA-N 1 0 304.393 4.479 20 30 DIEDRO N#Cc1ccc(Oc2ccc(C[NH+]3CC4(CCC4)C3)cc2)cc1 ZINC001141289105 1047078150 /nfs/dbraw/zinc/07/81/50/1047078150.db2.gz AOCRXJMPVKFHCW-UHFFFAOYSA-N 1 0 304.393 4.336 20 30 DIEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141295446 1047080030 /nfs/dbraw/zinc/08/00/30/1047080030.db2.gz CQJCOCPPZVLBCX-QGZVFWFLSA-N 1 0 316.404 4.196 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000648733037 1047087331 /nfs/dbraw/zinc/08/73/31/1047087331.db2.gz PPEFTGHPQHOYOP-UHFFFAOYSA-N 1 0 302.443 4.121 20 30 DIEDRO COc1ccsc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001141329189 1047094913 /nfs/dbraw/zinc/09/49/13/1047094913.db2.gz JONHKWLGJKUGLY-UHFFFAOYSA-N 1 0 312.438 4.008 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000536855561 1047113686 /nfs/dbraw/zinc/11/36/86/1047113686.db2.gz BJFYODOJTGWXOE-ZMSDIMECSA-N 1 0 321.436 4.389 20 30 DIEDRO C#C[C@H]([NH2+]Cc1ccccc1-c1ccccc1C)C1CCOCC1 ZINC000827555692 1047120329 /nfs/dbraw/zinc/12/03/29/1047120329.db2.gz ZNOJOBKCXBJKIJ-QFIPXVFZSA-N 1 0 319.448 4.180 20 30 DIEDRO C=CCC[C@H]([NH2+][C@H]1CCOc2ccc(OCC)cc21)C1CC1 ZINC000681400064 1047120447 /nfs/dbraw/zinc/12/04/47/1047120447.db2.gz WZABNLIQDAJLKT-ROUUACIJSA-N 1 0 301.430 4.243 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001141444675 1047133781 /nfs/dbraw/zinc/13/37/81/1047133781.db2.gz VTBJHMMJLUSCSS-HXUWFJFHSA-N 1 0 322.537 4.462 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000537131898 1047139679 /nfs/dbraw/zinc/13/96/79/1047139679.db2.gz GZCNTSFUICWBLP-BBRMVZONSA-N 1 0 313.363 4.339 20 30 DIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001116439335 1047140446 /nfs/dbraw/zinc/14/04/46/1047140446.db2.gz VCYXHQJAYDEIHK-RTBURBONSA-N 1 0 312.457 4.381 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCOCc1ccccc1 ZINC001116469853 1047144581 /nfs/dbraw/zinc/14/45/81/1047144581.db2.gz ITTDZUQLQAMVRF-OAQYLSRUSA-N 1 0 320.436 4.132 20 30 DIEDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001116470348 1047145648 /nfs/dbraw/zinc/14/56/48/1047145648.db2.gz NFXQYYVYWJVXFW-YWZLYKJASA-N 1 0 306.409 4.002 20 30 DIEDRO CCCCCCCC[N@H+](C)Cc1ccc(C(F)(F)F)nn1 ZINC001141492866 1047149547 /nfs/dbraw/zinc/14/95/47/1047149547.db2.gz JYMTVGWRVIFLAJ-UHFFFAOYSA-N 1 0 303.372 4.288 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001116569064 1047158091 /nfs/dbraw/zinc/15/80/91/1047158091.db2.gz ZYZGSLLWEXDXSR-DOTOQJQBSA-N 1 0 321.420 4.051 20 30 DIEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000537288472 1047160031 /nfs/dbraw/zinc/16/00/31/1047160031.db2.gz CDSMMXDTKIDBEZ-FVJLSDCUSA-N 1 0 319.452 4.044 20 30 DIEDRO CCN(CCC[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000537295685 1047161329 /nfs/dbraw/zinc/16/13/29/1047161329.db2.gz KXYGFIAGDRBYGD-KRWDZBQOSA-N 1 0 307.441 4.125 20 30 DIEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCC(C)(C)C#N ZINC000537370267 1047176032 /nfs/dbraw/zinc/17/60/32/1047176032.db2.gz WHZFWWYQGAEFQG-UHFFFAOYSA-N 1 0 324.472 4.169 20 30 DIEDRO CSCCCCCCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000305821261 1047180315 /nfs/dbraw/zinc/18/03/15/1047180315.db2.gz OYCLLZWEXPATNP-UHFFFAOYSA-N 1 0 307.507 4.460 20 30 DIEDRO C[C@H](NCCC[N@H+](C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000537407269 1047181126 /nfs/dbraw/zinc/18/11/26/1047181126.db2.gz ODSDPZZBOVPISQ-HNNXBMFYSA-N 1 0 317.452 4.003 20 30 DIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000537407384 1047181644 /nfs/dbraw/zinc/18/16/44/1047181644.db2.gz KAIATLSGKYNDBD-STQMWFEESA-N 1 0 300.352 4.291 20 30 DIEDRO CC[C@H](c1ccc(Br)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433302374 1047183577 /nfs/dbraw/zinc/18/35/77/1047183577.db2.gz XOKLDDJQSYPAJL-CQSZACIVSA-N 1 0 309.251 4.382 20 30 DIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839170414 1047201574 /nfs/dbraw/zinc/20/15/74/1047201574.db2.gz MFKYVVDDWIDELX-NHCUHLMSSA-N 1 0 320.436 4.357 20 30 DIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC001117784091 1047244550 /nfs/dbraw/zinc/24/45/50/1047244550.db2.gz OKAQJCONLKINBS-QGZVFWFLSA-N 1 0 316.489 4.389 20 30 DIEDRO CCCC[N@H+](CCC)Cc1cc(C#N)ccc1Br ZINC001141659452 1047250519 /nfs/dbraw/zinc/25/05/19/1047250519.db2.gz OSSZXYATPXDZHV-UHFFFAOYSA-N 1 0 309.251 4.333 20 30 DIEDRO CCCCCCCN(CC)Cc1ncc(Br)cn1 ZINC001141671774 1047257218 /nfs/dbraw/zinc/25/72/18/1047257218.db2.gz MZCFMPHZEFSNFI-UHFFFAOYSA-N 1 0 314.271 4.031 20 30 DIEDRO CCn1ccc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000683028091 1047261704 /nfs/dbraw/zinc/26/17/04/1047261704.db2.gz ACYRYOBKUCRIFB-UHFFFAOYSA-N 1 0 320.358 4.010 20 30 DIEDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000796435120 1047271156 /nfs/dbraw/zinc/27/11/56/1047271156.db2.gz PUDKGOPQLIVTLF-TYCQWZJGSA-N 1 0 320.436 4.065 20 30 DIEDRO N#C[C@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001141739182 1047284271 /nfs/dbraw/zinc/28/42/71/1047284271.db2.gz HIBRQKJTTMFVCR-INIZCTEOSA-N 1 0 302.421 4.383 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC001203113758 1047288718 /nfs/dbraw/zinc/28/87/18/1047288718.db2.gz PYDORZFMSWXNHJ-IAGOWNOFSA-N 1 0 303.446 4.318 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCSC(C)(C)C2)cc1 ZINC000897792950 1047289816 /nfs/dbraw/zinc/28/98/16/1047289816.db2.gz HZOCUDOQUQLGNF-INIZCTEOSA-N 1 0 302.487 4.252 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(SC)n1 ZINC001141938441 1047312853 /nfs/dbraw/zinc/31/28/53/1047312853.db2.gz CJLVYOMFBIYYQB-UHFFFAOYSA-N 1 0 323.465 4.253 20 30 DIEDRO CSc1nc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)ccc1C#N ZINC001141941459 1047313599 /nfs/dbraw/zinc/31/35/99/1047313599.db2.gz KMJUILYDHYGXEV-MRXNPFEDSA-N 1 0 315.486 4.077 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898112238 1047317291 /nfs/dbraw/zinc/31/72/91/1047317291.db2.gz PUBBTAMJHFLBDZ-GPJFCIFZSA-N 1 0 324.468 4.082 20 30 DIEDRO C[C@@H](CCC#N)C[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000898130354 1047320259 /nfs/dbraw/zinc/32/02/59/1047320259.db2.gz GXKZETXPVPUSKR-AWEZNQCLSA-N 1 0 318.848 4.175 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)C1 ZINC000651670675 1047321312 /nfs/dbraw/zinc/32/13/12/1047321312.db2.gz RKERKYCHCZDKLG-QAPCUYQASA-N 1 0 300.446 4.116 20 30 DIEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000398072200 1047327621 /nfs/dbraw/zinc/32/76/21/1047327621.db2.gz AITMZSDMRUEJJQ-HZPDHXFCSA-N 1 0 310.482 4.110 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)c2nccn2C)C1 ZINC000651962682 1047335862 /nfs/dbraw/zinc/33/58/62/1047335862.db2.gz LQHHFDLGVQYSKI-NEWSRXKRSA-N 1 0 309.457 4.038 20 30 DIEDRO SC1CC[NH+](Cc2sccc2Oc2ccccc2)CC1 ZINC001142001354 1047338399 /nfs/dbraw/zinc/33/83/99/1047338399.db2.gz MPAHWYZOOGXPPG-UHFFFAOYSA-N 1 0 305.468 4.435 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652195979 1047346277 /nfs/dbraw/zinc/34/62/77/1047346277.db2.gz BREXQJVJBGSXND-UFYCRDLUSA-N 1 0 314.473 4.274 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000840895743 1047357334 /nfs/dbraw/zinc/35/73/34/1047357334.db2.gz VDFHARCHSVCQEA-UXLLHSPISA-N 1 0 323.864 4.020 20 30 DIEDRO C=C(C)CNC(=S)Nc1ccc2c(c1)C[N@H+]([C@@H](C)CCC)C2 ZINC000726496429 1047362785 /nfs/dbraw/zinc/36/27/85/1047362785.db2.gz XHJPWJQZFHYNCC-AWEZNQCLSA-N 1 0 317.502 4.053 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2cnccc2C(C)(C)C)cc1 ZINC000840959909 1047363974 /nfs/dbraw/zinc/36/39/74/1047363974.db2.gz XTTUAQUKTRISTJ-UHFFFAOYSA-N 1 0 322.452 4.071 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000840971076 1047365426 /nfs/dbraw/zinc/36/54/26/1047365426.db2.gz FPPPAIPTNJOVGW-FXAWDEMLSA-N 1 0 320.436 4.254 20 30 DIEDRO N#CCCCC[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000726597279 1047367808 /nfs/dbraw/zinc/36/78/08/1047367808.db2.gz FDBUEGWGJVNERL-INIZCTEOSA-N 1 0 321.262 4.150 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000726697490 1047374869 /nfs/dbraw/zinc/37/48/69/1047374869.db2.gz KZZVSVHVKJCHFO-NRFANRHFSA-N 1 0 323.436 4.194 20 30 DIEDRO C=C(Cl)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000138485296 1047376896 /nfs/dbraw/zinc/37/68/96/1047376896.db2.gz QJXSKHNDDRSDFR-UHFFFAOYSA-N 1 0 304.821 4.108 20 30 DIEDRO C=CCCn1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000653762084 1047419040 /nfs/dbraw/zinc/41/90/40/1047419040.db2.gz SSHGTUWFTFLLKF-PMACEKPBSA-N 1 0 324.472 4.012 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000117877045 1047425398 /nfs/dbraw/zinc/42/53/98/1047425398.db2.gz JBTPJHITSGTMME-HNNXBMFYSA-N 1 0 315.392 4.021 20 30 DIEDRO O=C1C=C2C[N@@H+](Cc3ccccc3-c3ccccc3)CC[C@@H]2S1 ZINC001142334673 1047434131 /nfs/dbraw/zinc/43/41/31/1047434131.db2.gz DDUNOVRYPZTVJF-IBGZPJMESA-N 1 0 321.445 4.128 20 30 DIEDRO CC(N=Nc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000841646184 1047440267 /nfs/dbraw/zinc/44/02/67/1047440267.db2.gz XSAKJAMMIOLYDX-UHFFFAOYSA-N 1 0 300.233 4.123 20 30 DIEDRO CCCCCCCCCCNC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841858026 1047459421 /nfs/dbraw/zinc/45/94/21/1047459421.db2.gz MNEHBRSEUQPSPV-UHFFFAOYSA-N 1 0 311.514 4.038 20 30 DIEDRO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)s1 ZINC000537622566 1047468224 /nfs/dbraw/zinc/46/82/24/1047468224.db2.gz AYFWOUFYFBDQKL-UHFFFAOYSA-N 1 0 300.402 4.171 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000057872489 1047469370 /nfs/dbraw/zinc/46/93/70/1047469370.db2.gz PPDVPZLCHCKJLH-UHFFFAOYSA-N 1 0 324.399 4.140 20 30 DIEDRO C[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537628098 1047489224 /nfs/dbraw/zinc/48/92/24/1047489224.db2.gz GNTPLAAYYYSRBS-MRXNPFEDSA-N 1 0 306.409 4.122 20 30 DIEDRO N#CC1(NC2CCC(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC001168336195 1047490732 /nfs/dbraw/zinc/49/07/32/1047490732.db2.gz WLIKZPPSGDEEPH-UHFFFAOYSA-N 1 0 318.848 4.029 20 30 DIEDRO C[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537628697 1047494028 /nfs/dbraw/zinc/49/40/28/1047494028.db2.gz YMHULEAWSZLVRX-INIZCTEOSA-N 1 0 306.409 4.122 20 30 DIEDRO Cc1ccccc1C1([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000842732966 1047500849 /nfs/dbraw/zinc/50/08/49/1047500849.db2.gz RJVIPZRAFCSZFI-INIZCTEOSA-N 1 0 306.409 4.065 20 30 DIEDRO C=CCCOCC[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000120805898 1047502430 /nfs/dbraw/zinc/50/24/30/1047502430.db2.gz HSGMZGZZSXXOEY-UHFFFAOYSA-N 1 0 311.425 4.045 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc2c(cc1O)CCCC2 ZINC000842884659 1047511144 /nfs/dbraw/zinc/51/11/44/1047511144.db2.gz LRSRDHHWEWRBFZ-OAHLLOKOSA-N 1 0 320.436 4.188 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(Cl)ccc1O ZINC000842885593 1047511367 /nfs/dbraw/zinc/51/13/67/1047511367.db2.gz BFHWCMBIZGKJSB-KRWDZBQOSA-N 1 0 314.816 4.353 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000842901200 1047512755 /nfs/dbraw/zinc/51/27/55/1047512755.db2.gz JCEMWESYVRYZHB-WBVHZDCISA-N 1 0 315.461 4.002 20 30 DIEDRO N#Cc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccccc3)c[nH]c2c1 ZINC001142921486 1047514640 /nfs/dbraw/zinc/51/46/40/1047514640.db2.gz OTEAVGVEDWPWPF-HXUWFJFHSA-N 1 0 301.393 4.377 20 30 DIEDRO N#Cc1ccc2c(C[N@H+](Cc3ccccc3)C3CC3)c[nH]c2c1 ZINC001142922385 1047514915 /nfs/dbraw/zinc/51/49/15/1047514915.db2.gz GFCCALFCIMJUOS-UHFFFAOYSA-N 1 0 301.393 4.204 20 30 DIEDRO N#Cc1ccc2c(C[N@H+]3CC=C(c4ccccc4)CC3)c[nH]c2c1 ZINC001142922279 1047515318 /nfs/dbraw/zinc/51/53/18/1047515318.db2.gz ACBZNKOKNRNWLS-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000537633629 1047515387 /nfs/dbraw/zinc/51/53/87/1047515387.db2.gz NHOMSIYCEUPBBY-SJKOYZFVSA-N 1 0 300.402 4.342 20 30 DIEDRO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)[C@H]1CCc2ccccc21 ZINC001142930291 1047517995 /nfs/dbraw/zinc/51/79/95/1047517995.db2.gz IRQZUXJSECXROK-FQEVSTJZSA-N 1 0 301.393 4.159 20 30 DIEDRO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCc2ccc(Br)cc21 ZINC000537639423 1047535830 /nfs/dbraw/zinc/53/58/30/1047535830.db2.gz JLVRVOGJDUKSLG-LRDDRELGSA-N 1 0 321.262 4.308 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000092667133 1047537622 /nfs/dbraw/zinc/53/76/22/1047537622.db2.gz PFQUXPVLQBUWOX-GOSISDBHSA-N 1 0 318.436 4.137 20 30 DIEDRO C=CC[N@@H+](Cc1cn(C)nc1-c1ccncc1)CC1CCCCC1 ZINC000093382958 1047546993 /nfs/dbraw/zinc/54/69/93/1047546993.db2.gz YCPFOPMNELMFHE-UHFFFAOYSA-N 1 0 324.472 4.050 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000093480349 1047548617 /nfs/dbraw/zinc/54/86/17/1047548617.db2.gz ZTFONUPHCWTZKC-UHFFFAOYSA-N 1 0 321.262 4.137 20 30 DIEDRO CC[C@H](C)C[N@H+](CC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093844888 1047551933 /nfs/dbraw/zinc/55/19/33/1047551933.db2.gz SOHFEUMQKXMRLH-KRWDZBQOSA-N 1 0 324.472 4.332 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001204375426 1047569462 /nfs/dbraw/zinc/56/94/62/1047569462.db2.gz SBBUHOIMUWWLQD-INIZCTEOSA-N 1 0 323.436 4.207 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000477340246 1047614361 /nfs/dbraw/zinc/61/43/61/1047614361.db2.gz PXWVHFIJODWEEP-NHCUHLMSSA-N 1 0 304.437 4.449 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192755147 1047619259 /nfs/dbraw/zinc/61/92/59/1047619259.db2.gz CECVCJATOXUSOA-FZKQIMNGSA-N 1 0 309.369 4.268 20 30 DIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)cc1C#N ZINC000926960171 1047641659 /nfs/dbraw/zinc/64/16/59/1047641659.db2.gz FHQGBMQMEPZKKE-LBPRGKRZSA-N 1 0 319.330 4.131 20 30 DIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCc2ccccc21 ZINC000537973569 1047652031 /nfs/dbraw/zinc/65/20/31/1047652031.db2.gz PYQJHVRKOLGKIO-IBGZPJMESA-N 1 0 308.450 4.069 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000538013523 1047652739 /nfs/dbraw/zinc/65/27/39/1047652739.db2.gz AJRRVTMSQPJNEJ-NSHDSACASA-N 1 0 304.381 4.308 20 30 DIEDRO C=C(CC)C[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000537993255 1047653428 /nfs/dbraw/zinc/65/34/28/1047653428.db2.gz KWYUYAASSVLHGZ-HXUWFJFHSA-N 1 0 311.425 4.349 20 30 DIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC1(C#N)CC1 ZINC000538349201 1047671123 /nfs/dbraw/zinc/67/11/23/1047671123.db2.gz RJZADGKBGJLRBY-CQSZACIVSA-N 1 0 311.454 4.415 20 30 DIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)Oc1ccccc1F ZINC000538394321 1047673864 /nfs/dbraw/zinc/67/38/64/1047673864.db2.gz VTABUOQUCUFGEG-WMLDXEAASA-N 1 0 312.388 4.206 20 30 DIEDRO CCO[C@H](CC[NH2+][C@H](C)c1cccc(C#N)c1)C1CCCC1 ZINC000538394862 1047674388 /nfs/dbraw/zinc/67/43/88/1047674388.db2.gz AIKIQIYVPFSYMT-DNVCBOLYSA-N 1 0 300.446 4.194 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000538410269 1047675808 /nfs/dbraw/zinc/67/58/08/1047675808.db2.gz KUXRHZQOCIRNJY-GHMZBOCLSA-N 1 0 302.365 4.078 20 30 DIEDRO COc1cc([C@@H](C)[NH2+]CCC(C)(C)C#N)ccc1OCC(C)C ZINC000538514738 1047684741 /nfs/dbraw/zinc/68/47/41/1047684741.db2.gz PQYFITIBUHMWQH-OAHLLOKOSA-N 1 0 318.461 4.320 20 30 DIEDRO C=CC[N@@H+](CCC(=O)c1ccc(F)cc1)Cc1cccs1 ZINC000538624365 1047691931 /nfs/dbraw/zinc/69/19/31/1047691931.db2.gz ZLOCFBBJALPPBV-UHFFFAOYSA-N 1 0 303.402 4.148 20 30 DIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1cc(C#N)cs1 ZINC000538728496 1047701960 /nfs/dbraw/zinc/70/19/60/1047701960.db2.gz AOWFACNXIIXORN-UHFFFAOYSA-N 1 0 302.418 4.214 20 30 DIEDRO N#Cc1csc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000538727372 1047702453 /nfs/dbraw/zinc/70/24/53/1047702453.db2.gz MQZQSMORILAGNY-UHFFFAOYSA-N 1 0 300.402 4.171 20 30 DIEDRO N#Cc1ccc(C2=CCN(Cc3cc(F)cc(F)c3)CC2)cc1 ZINC000538823955 1047715528 /nfs/dbraw/zinc/71/55/28/1047715528.db2.gz URRPPJUSETXWOR-UHFFFAOYSA-N 1 0 310.347 4.126 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000128072309 1047721836 /nfs/dbraw/zinc/72/18/36/1047721836.db2.gz HJOLQSZPRHTSEV-GFCCVEGCSA-N 1 0 300.789 4.071 20 30 DIEDRO C=C(CC)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000539118393 1047737562 /nfs/dbraw/zinc/73/75/62/1047737562.db2.gz CJJNUFYKLXHJKF-OAHLLOKOSA-N 1 0 315.392 4.021 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1F ZINC000539238753 1047744385 /nfs/dbraw/zinc/74/43/85/1047744385.db2.gz HRCZGYROYHXMQW-UHFFFAOYSA-N 1 0 321.399 4.227 20 30 DIEDRO N#CCCCCNc1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001157641089 1047747424 /nfs/dbraw/zinc/74/74/24/1047747424.db2.gz JHJBFDFYOBWWAA-UHFFFAOYSA-N 1 0 304.397 4.190 20 30 DIEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(NCCCCC#N)nc1 ZINC001157642635 1047747754 /nfs/dbraw/zinc/74/77/54/1047747754.db2.gz AXOZGOWPNIAHLD-KRWDZBQOSA-N 1 0 300.450 4.124 20 30 DIEDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc(C#N)c(F)c1 ZINC000477853369 1047755614 /nfs/dbraw/zinc/75/56/14/1047755614.db2.gz FZRILEJORKAEIO-RHSMWYFYSA-N 1 0 316.420 4.230 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971434 1047764809 /nfs/dbraw/zinc/76/48/09/1047764809.db2.gz YDJFJCAUYSKYKL-MJGOQNOKSA-N 1 0 316.489 4.156 20 30 DIEDRO CC[N@@H+](CCC#N)CC/C=C\c1ccc(Br)cc1 ZINC000478051997 1047766988 /nfs/dbraw/zinc/76/69/88/1047766988.db2.gz DNXIUAUMRSUZSO-UTCJRWHESA-N 1 0 307.235 4.088 20 30 DIEDRO CC1(C)C[C@H](Nc2cc(C#N)c3ccccc3n2)C[C@@](C)(C[NH3+])C1 ZINC001158266057 1047772326 /nfs/dbraw/zinc/77/23/26/1047772326.db2.gz ROPMEZLEKALAQO-MGPUTAFESA-N 1 0 322.456 4.062 20 30 DIEDRO CC1(C)C[C@H](Nc2nccc3ccc(C#N)cc32)C[C@@](C)(C[NH3+])C1 ZINC001158268749 1047773484 /nfs/dbraw/zinc/77/34/84/1047773484.db2.gz QUWHKDRBQLEXDX-OXJNMPFZSA-N 1 0 322.456 4.062 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)c1ccccc1 ZINC000237501293 1047776314 /nfs/dbraw/zinc/77/63/14/1047776314.db2.gz QHZFXMBMPURTRK-QZTJIDSGSA-N 1 0 321.468 4.318 20 30 DIEDRO N#Cc1c(Nc2ccc(F)c3ccccc23)sc2c1CC[NH2+]C2 ZINC001159160003 1047817077 /nfs/dbraw/zinc/81/70/77/1047817077.db2.gz VIZXVVXEOHYMAB-UHFFFAOYSA-N 1 0 323.396 4.301 20 30 DIEDRO Cc1cc(C)c(Cl)c(Nc2sc3c(c2C#N)CC[NH2+]C3)c1 ZINC001159159849 1047817551 /nfs/dbraw/zinc/81/75/51/1047817551.db2.gz QSLBYCHIXQEZSQ-UHFFFAOYSA-N 1 0 317.845 4.279 20 30 DIEDRO CCOc1c(Cl)cc(C[NH2+][C@H](C)CC(C)(C)C#N)cc1OC ZINC000924714702 1047832170 /nfs/dbraw/zinc/83/21/70/1047832170.db2.gz CTAIMAUKKWTALV-GFCCVEGCSA-N 1 0 324.852 4.165 20 30 DIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(NCC#Cc2ccccc2)nc1 ZINC001159377014 1047837002 /nfs/dbraw/zinc/83/70/02/1047837002.db2.gz FKGLMXLBDYQWQV-HXUWFJFHSA-N 1 0 319.452 4.092 20 30 DIEDRO C#Cc1cccc(Nc2cnccc2[C@H]2C[C@H]([NH3+])C[C@@H](C)C2)c1 ZINC001159387916 1047838781 /nfs/dbraw/zinc/83/87/81/1047838781.db2.gz FQCKNFVKZCHWJN-USXIJHARSA-N 1 0 305.425 4.037 20 30 DIEDRO C#Cc1ccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001159390870 1047838910 /nfs/dbraw/zinc/83/89/10/1047838910.db2.gz OYCSPLSGFRMXDW-OIISXLGYSA-N 1 0 305.425 4.037 20 30 DIEDRO N#Cc1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)c(Cl)c1 ZINC001159431094 1047843281 /nfs/dbraw/zinc/84/32/81/1047843281.db2.gz TZSHGVJITJFBDP-UHFFFAOYSA-N 1 0 311.816 4.422 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC001182844660 1047848618 /nfs/dbraw/zinc/84/86/18/1047848618.db2.gz NUQQNVODBKZCTH-DOMZBBRYSA-N 1 0 309.837 4.279 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccncc2Br)CCCC1 ZINC001182865504 1047851864 /nfs/dbraw/zinc/85/18/64/1047851864.db2.gz XWJUFBNKRMGZAE-UHFFFAOYSA-N 1 0 323.278 4.460 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC001182864242 1047852450 /nfs/dbraw/zinc/85/24/50/1047852450.db2.gz CJKZKIGKGLSBIJ-UHFFFAOYSA-N 1 0 306.381 4.350 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)s1 ZINC000553457678 1047856877 /nfs/dbraw/zinc/85/68/77/1047856877.db2.gz RPERMCJJOLQPMP-IAGOWNOFSA-N 1 0 300.402 4.185 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC001182890616 1047857975 /nfs/dbraw/zinc/85/79/75/1047857975.db2.gz FVFVEOHWDNKYGY-HZPDHXFCSA-N 1 0 322.493 4.253 20 30 DIEDRO Cc1c[nH+]ccc1Nc1sc(Cc2ccccc2)cc1C#N ZINC001174536298 1047866360 /nfs/dbraw/zinc/86/63/60/1047866360.db2.gz SKCNLZMKJQDBID-UHFFFAOYSA-N 1 0 305.406 4.080 20 30 DIEDRO C=CCC[C@H](CC)[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001182998964 1047874583 /nfs/dbraw/zinc/87/45/83/1047874583.db2.gz FMRRYMFCJQYAFJ-WFASDCNBSA-N 1 0 302.245 4.361 20 30 DIEDRO N#CC1(c2ccc(Nc3ccc(C4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001159598019 1047877617 /nfs/dbraw/zinc/87/76/17/1047877617.db2.gz CTQGGHMYEJLFCT-UHFFFAOYSA-N 1 0 317.436 4.452 20 30 DIEDRO CCc1cc(Nc2ccc(C3CC[NH2+]CC3)cc2)ccc1C#N ZINC001159598514 1047878616 /nfs/dbraw/zinc/87/86/16/1047878616.db2.gz QTCUDZYHLAFFFB-UHFFFAOYSA-N 1 0 305.425 4.331 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC001183046607 1047879681 /nfs/dbraw/zinc/87/96/81/1047879681.db2.gz XUBRFLPHFGDRBR-GJZGRUSLSA-N 1 0 305.462 4.388 20 30 DIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cccc(-c2cccs2)c1 ZINC001183079904 1047883029 /nfs/dbraw/zinc/88/30/29/1047883029.db2.gz GXRXZBMAAJMUDT-UHFFFAOYSA-N 1 0 312.438 4.006 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C ZINC001183058984 1047886550 /nfs/dbraw/zinc/88/65/50/1047886550.db2.gz IATAGRDWUMGDJH-LEWJYISDSA-N 1 0 322.452 4.023 20 30 DIEDRO C=CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC001183066180 1047886580 /nfs/dbraw/zinc/88/65/80/1047886580.db2.gz VLAZDETYPDURSV-CYBMUJFWSA-N 1 0 302.418 4.347 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC001183058987 1047886792 /nfs/dbraw/zinc/88/67/92/1047886792.db2.gz IATAGRDWUMGDJH-SFTDATJTSA-N 1 0 322.452 4.023 20 30 DIEDRO N#Cc1nc2ccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)cc2s1 ZINC001159631595 1047886762 /nfs/dbraw/zinc/88/67/62/1047886762.db2.gz SIAZYPZRILSFHD-HNNXBMFYSA-N 1 0 320.421 4.336 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](c1ccccc1)[C@H](O)C(C)C ZINC001183058985 1047887039 /nfs/dbraw/zinc/88/70/39/1047887039.db2.gz IATAGRDWUMGDJH-NHCUHLMSSA-N 1 0 322.452 4.023 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C ZINC001183058986 1047887525 /nfs/dbraw/zinc/88/75/25/1047887525.db2.gz IATAGRDWUMGDJH-RTWAWAEBSA-N 1 0 322.452 4.023 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC001183065003 1047888736 /nfs/dbraw/zinc/88/87/36/1047888736.db2.gz CJIAQGSYGOEMSM-CYBMUJFWSA-N 1 0 316.857 4.309 20 30 DIEDRO N#Cc1c(F)ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)c1F ZINC001159637367 1047889829 /nfs/dbraw/zinc/88/98/29/1047889829.db2.gz WNIPFDCWFIOIKY-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO C=CCC1([NH2+]CCC2(C(=O)OC(C)(C)C)CCC2)CCCC1 ZINC001174593262 1047897951 /nfs/dbraw/zinc/89/79/51/1047897951.db2.gz NRMNQJCTRLFZPM-UHFFFAOYSA-N 1 0 307.478 4.367 20 30 DIEDRO C=CCC1([NH2+]CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CCCC1 ZINC001174593264 1047898116 /nfs/dbraw/zinc/89/81/16/1047898116.db2.gz NSVJVTMCKIQCJU-OKILXGFUSA-N 1 0 317.395 4.403 20 30 DIEDRO Cc1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c2ccccc12 ZINC001159728560 1047910326 /nfs/dbraw/zinc/91/03/26/1047910326.db2.gz XWBIEXQWAFNYDG-UHFFFAOYSA-N 1 0 313.404 4.450 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000774616799 1047915463 /nfs/dbraw/zinc/91/54/63/1047915463.db2.gz WPRDIJXCQGAUDO-HOTGVXAUSA-N 1 0 324.509 4.356 20 30 DIEDRO C=CCCC[C@H](C)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000774618230 1047917363 /nfs/dbraw/zinc/91/73/63/1047917363.db2.gz LVVNEFZQRFYVDX-KXBFYZLASA-N 1 0 305.437 4.316 20 30 DIEDRO C#CCC1([NH2+]Cc2csc(Br)c2)CCCCC1 ZINC001198083663 1047924115 /nfs/dbraw/zinc/92/41/15/1047924115.db2.gz BQPHUVYRNDNXIY-UHFFFAOYSA-N 1 0 312.276 4.326 20 30 DIEDRO N#Cc1cc(Nc2ccc3sccc3c2)cc(C2C[NH2+]C2)c1 ZINC001159792037 1047925315 /nfs/dbraw/zinc/92/53/15/1047925315.db2.gz FBAWQEYSAVQFIM-UHFFFAOYSA-N 1 0 305.406 4.203 20 30 DIEDRO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C ZINC001174615232 1047927529 /nfs/dbraw/zinc/92/75/29/1047927529.db2.gz RDRCUMPZELGVEI-QGZVFWFLSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001183442760 1047928375 /nfs/dbraw/zinc/92/83/75/1047928375.db2.gz FZAZGSHMANWPQY-VQTJNVASSA-N 1 0 300.490 4.294 20 30 DIEDRO C#CC[N@@H+](CCc1scnc1C)[C@@H]1CCCc2ccccc21 ZINC001198104024 1047928589 /nfs/dbraw/zinc/92/85/89/1047928589.db2.gz LQNGODXVZZYCIR-GOSISDBHSA-N 1 0 310.466 4.007 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC001183474221 1047931994 /nfs/dbraw/zinc/93/19/94/1047931994.db2.gz ZNSIKUPOJDWKEC-MZORAGNBSA-N 1 0 306.247 4.032 20 30 DIEDRO N#Cc1cc(F)c(F)cc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159825893 1047933521 /nfs/dbraw/zinc/93/35/21/1047933521.db2.gz AODCDQBRISENON-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO N#Cc1c(Cl)c(Cl)ccc1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159854638 1047937345 /nfs/dbraw/zinc/93/73/45/1047937345.db2.gz XRDJSOHSUWVCPU-UHFFFAOYSA-N 1 0 304.180 4.212 20 30 DIEDRO Cc1ccc(CC#N)c(NCCc2ccccc2C(F)(F)F)n1 ZINC001159897709 1047943324 /nfs/dbraw/zinc/94/33/24/1047943324.db2.gz BDZQCGAGEJUTGP-UHFFFAOYSA-N 1 0 319.330 4.130 20 30 DIEDRO N#Cc1cc(F)cc(F)c1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159895681 1047943823 /nfs/dbraw/zinc/94/38/23/1047943823.db2.gz JEYKVQYASASUHI-UHFFFAOYSA-N 1 0 313.351 4.047 20 30 DIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC001198414080 1047953392 /nfs/dbraw/zinc/95/33/92/1047953392.db2.gz AAHGRGGJXQYUNL-KRWDZBQOSA-N 1 0 311.425 4.340 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC001183778720 1047962341 /nfs/dbraw/zinc/96/23/41/1047962341.db2.gz AXIDKIBFJYZDNB-RTBURBONSA-N 1 0 323.521 4.467 20 30 DIEDRO C=CC[C@H]1CCN1Cc1cc(Br)ccc1Cl ZINC001198491115 1047964583 /nfs/dbraw/zinc/96/45/83/1047964583.db2.gz OLJKYRUDQMVWFH-LBPRGKRZSA-N 1 0 300.627 4.253 20 30 DIEDRO CCc1ccc(Cl)cc1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001160006093 1047967255 /nfs/dbraw/zinc/96/72/55/1047967255.db2.gz PYMKFVURFAXWNV-UHFFFAOYSA-N 1 0 311.816 4.204 20 30 DIEDRO CCCCC[C@H]1CCCC[N@@H+]1CCOc1ccccc1C#N ZINC001174779212 1047972943 /nfs/dbraw/zinc/97/29/43/1047972943.db2.gz ATJLAJBWGXFFME-SFHVURJKSA-N 1 0 300.446 4.372 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)Nc1cc(N2CCCC2)cc[nH+]1 ZINC001160181356 1047988985 /nfs/dbraw/zinc/98/89/85/1047988985.db2.gz REWCIWAHEQYGHK-INIZCTEOSA-N 1 0 323.440 4.420 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cnn(Cc2ccccc2)c1Cl ZINC001184189334 1048005180 /nfs/dbraw/zinc/00/51/80/1048005180.db2.gz VDVRIODEEUXUCZ-UHFFFAOYSA-N 1 0 317.864 4.373 20 30 DIEDRO Cc1cc(C#N)ccc1Nc1ccc(OC2CC[NH2+]CC2)c(C)c1 ZINC001160227362 1048005978 /nfs/dbraw/zinc/00/59/78/1048005978.db2.gz PDSBUVDNVGLHCC-UHFFFAOYSA-N 1 0 321.424 4.050 20 30 DIEDRO N#Cc1ccc(Oc2cccc(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC001160249376 1048008105 /nfs/dbraw/zinc/00/81/05/1048008105.db2.gz AHCQLVZMRYDHRG-SJORKVTESA-N 1 0 317.392 4.171 20 30 DIEDRO N#Cc1c(Cl)ccc(Nc2ccc3c(c2)C[NH2+]C3)c1Cl ZINC001160249414 1048008299 /nfs/dbraw/zinc/00/82/99/1048008299.db2.gz BZHDHBFPPUWLQP-UHFFFAOYSA-N 1 0 304.180 4.212 20 30 DIEDRO CC1(C)CCC(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC001174871339 1048009759 /nfs/dbraw/zinc/00/97/59/1048009759.db2.gz BZAQUPRZJTVHBW-UHFFFAOYSA-N 1 0 311.473 4.349 20 30 DIEDRO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001174871724 1048010150 /nfs/dbraw/zinc/01/01/50/1048010150.db2.gz HMXRHQFNFQAPFA-FQEVSTJZSA-N 1 0 323.415 4.423 20 30 DIEDRO Cc1cc(C#N)ccc1Nc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC001160265048 1048015353 /nfs/dbraw/zinc/01/53/53/1048015353.db2.gz HVRJVOOYLQSKBA-SFHVURJKSA-N 1 0 305.425 4.152 20 30 DIEDRO Cc1ccc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)c(C#N)c1 ZINC001160264926 1048015795 /nfs/dbraw/zinc/01/57/95/1048015795.db2.gz DYZMODLMGLUCII-QGZVFWFLSA-N 1 0 305.425 4.152 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC001198952666 1048020381 /nfs/dbraw/zinc/02/03/81/1048020381.db2.gz RQAMFIWLIINTBV-UHFFFAOYSA-N 1 0 304.220 4.307 20 30 DIEDRO C=C(CC)C[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000773424062 1048021679 /nfs/dbraw/zinc/02/16/79/1048021679.db2.gz HZGSYVFATWUFNT-UHFFFAOYSA-N 1 0 322.493 4.064 20 30 DIEDRO CC1(C)C[NH2+]Cc2cc(NC=Cc3ccc(C#N)cc3)ccc21 ZINC001160286541 1048025403 /nfs/dbraw/zinc/02/54/03/1048025403.db2.gz KTGKIJPCADFTLY-MDZDMXLPSA-N 1 0 303.409 4.022 20 30 DIEDRO C=C(CC)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000773427228 1048031266 /nfs/dbraw/zinc/03/12/66/1048031266.db2.gz GGHVFKRNXUMJIP-GOSISDBHSA-N 1 0 301.455 4.250 20 30 DIEDRO CC(C)(C)Oc1cccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001160331575 1048034838 /nfs/dbraw/zinc/03/48/38/1048034838.db2.gz PHOFQZBOFWKSSF-UHFFFAOYSA-N 1 0 321.424 4.166 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001184428572 1048039097 /nfs/dbraw/zinc/03/90/97/1048039097.db2.gz NJWHAECJOTZUPC-ILZDJORESA-N 1 0 315.457 4.394 20 30 DIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC001184452334 1048041777 /nfs/dbraw/zinc/04/17/77/1048041777.db2.gz PYCMOIZRTPIWBR-VXGBXAGGSA-N 1 0 306.360 4.022 20 30 DIEDRO C=C(CC)C[N@@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000773428527 1048054386 /nfs/dbraw/zinc/05/43/86/1048054386.db2.gz JGCBBMSSZJSDHV-UHFFFAOYSA-N 1 0 310.482 4.064 20 30 DIEDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001174983562 1048080923 /nfs/dbraw/zinc/08/09/23/1048080923.db2.gz JBRLJMFNHRKTON-FUHWJXTLSA-N 1 0 311.473 4.261 20 30 DIEDRO CCCCC[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000776022509 1048096582 /nfs/dbraw/zinc/09/65/82/1048096582.db2.gz DLLWHZQKXVONKE-ZWKOTPCHSA-N 1 0 302.462 4.176 20 30 DIEDRO N#Cc1cc(Nc2cccc(CC[NH3+])c2)nc2ccc(Cl)cc12 ZINC001161081969 1048108318 /nfs/dbraw/zinc/10/83/18/1048108318.db2.gz OGKSIRDLLFSMLC-UHFFFAOYSA-N 1 0 322.799 4.005 20 30 DIEDRO CC1(C)CCC[C@H](C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000554558715 1048129546 /nfs/dbraw/zinc/12/95/46/1048129546.db2.gz OTYDNOTUBLLYLV-KRWDZBQOSA-N 1 0 311.473 4.155 20 30 DIEDRO CCCc1ccc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C(C)C)cc1 ZINC000480370108 1048134999 /nfs/dbraw/zinc/13/49/99/1048134999.db2.gz KACXUQCVWRHYIN-FQEVSTJZSA-N 1 0 309.457 4.336 20 30 DIEDRO Cc1ccc(CC(C)(C)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000842166279 1048138905 /nfs/dbraw/zinc/13/89/05/1048138905.db2.gz JYLDORXRBYWLSD-UHFFFAOYSA-N 1 0 308.425 4.008 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000774843895 1048149071 /nfs/dbraw/zinc/14/90/71/1048149071.db2.gz PHODXVNGQOTQCR-CQSZACIVSA-N 1 0 314.816 4.402 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000554746073 1048176454 /nfs/dbraw/zinc/17/64/54/1048176454.db2.gz QBCZQVVPSHQAOE-OKILXGFUSA-N 1 0 314.326 4.250 20 30 DIEDRO Cc1ccccc1SC[C@H](C)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC001175252028 1048193967 /nfs/dbraw/zinc/19/39/67/1048193967.db2.gz ZYTUNMCLNUOXLB-DJIMGWMZSA-N 1 0 302.487 4.347 20 30 DIEDRO Cc1ccccc1SC[C@H](C)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC001175252029 1048194083 /nfs/dbraw/zinc/19/40/83/1048194083.db2.gz ZYTUNMCLNUOXLB-HYVNUMGLSA-N 1 0 302.487 4.347 20 30 DIEDRO Cc1cccc(N(CC[NH3+])c2cccc3ccccc32)c1C#N ZINC001162005471 1048212669 /nfs/dbraw/zinc/21/26/69/1048212669.db2.gz OASHJUGIUHWUIO-UHFFFAOYSA-N 1 0 301.393 4.117 20 30 DIEDRO C[C@H](C1CC1)[N@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000480678725 1048215182 /nfs/dbraw/zinc/21/51/82/1048215182.db2.gz ACPMSEKLPOCBEP-LLVKDONJSA-N 1 0 319.246 4.084 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)C1CC1 ZINC000480688745 1048218258 /nfs/dbraw/zinc/21/82/58/1048218258.db2.gz JJLWWLLRQYNVKI-CQSZACIVSA-N 1 0 303.837 4.061 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480686028 1048222291 /nfs/dbraw/zinc/22/22/91/1048222291.db2.gz YJORSFMHQYRVKZ-RTBURBONSA-N 1 0 315.436 4.373 20 30 DIEDRO COCCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CCCCC1 ZINC000480755042 1048233672 /nfs/dbraw/zinc/23/36/72/1048233672.db2.gz ZXIIRTHMKHLEHT-HNNXBMFYSA-N 1 0 318.436 4.335 20 30 DIEDRO Cc1ccc(CCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000776154074 1048236150 /nfs/dbraw/zinc/23/61/50/1048236150.db2.gz NKHHWXOWSMFSGH-GOSISDBHSA-N 1 0 322.452 4.489 20 30 DIEDRO CCOCC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC001175300039 1048238710 /nfs/dbraw/zinc/23/87/10/1048238710.db2.gz BJEMYRMEGNUJDE-NRFANRHFSA-N 1 0 320.436 4.084 20 30 DIEDRO C=CC[C@H]([NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2)c1ccncc1 ZINC000776155463 1048238740 /nfs/dbraw/zinc/23/87/40/1048238740.db2.gz GMKLPEVXGAYUKO-IPMKNSEASA-N 1 0 314.473 4.416 20 30 DIEDRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)o1 ZINC000776162179 1048247693 /nfs/dbraw/zinc/24/76/93/1048247693.db2.gz CRRLODNASHIGCG-GOEBONIOSA-N 1 0 312.413 4.162 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2cc(C#N)cc(C(F)(F)F)c2)c1 ZINC001201399667 1048250050 /nfs/dbraw/zinc/25/00/50/1048250050.db2.gz HLVPRBYGPMWQDP-UHFFFAOYSA-N 1 0 319.330 4.382 20 30 DIEDRO Cc1cnc(CC[NH2+]C#C[Si](C(C)C)(C(C)C)C(C)C)nc1 ZINC001162246353 1048250443 /nfs/dbraw/zinc/25/04/43/1048250443.db2.gz VKHFPHAMNLWYKQ-UHFFFAOYSA-N 1 0 317.553 4.096 20 30 DIEDRO CC(C)[Si](C#C[NH2+][C@H]1CC[C@](C)(O)CC1)(C(C)C)C(C)C ZINC001162360007 1048267259 /nfs/dbraw/zinc/26/72/59/1048267259.db2.gz WNEFOGDGQABIRG-IYARVYRRSA-N 1 0 309.570 4.449 20 30 DIEDRO C[C@@H]([NH2+]CCC1Cc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000776171748 1048267650 /nfs/dbraw/zinc/26/76/50/1048267650.db2.gz PVQQNEMVZKVEIF-MRXNPFEDSA-N 1 0 320.436 4.045 20 30 DIEDRO CC(C)[PH+](CCNc1ccc2[nH]c(C#N)cc2n1)C(C)C ZINC001162361842 1048267959 /nfs/dbraw/zinc/26/79/59/1048267959.db2.gz HJBBXLVZFGIDTB-UHFFFAOYSA-N 1 0 302.362 4.145 20 30 DIEDRO CC(C)n1ncc(C#N)c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175362032 1048278655 /nfs/dbraw/zinc/27/86/55/1048278655.db2.gz AWLFUHVDGZGUDI-UHFFFAOYSA-N 1 0 323.444 4.065 20 30 DIEDRO COc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001175366412 1048280521 /nfs/dbraw/zinc/28/05/21/1048280521.db2.gz IUQYXLQTCXQEMK-UHFFFAOYSA-N 1 0 321.424 4.296 20 30 DIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H](C)CCC=C(C)C)C2 ZINC001201489151 1048280792 /nfs/dbraw/zinc/28/07/92/1048280792.db2.gz AIPJIGQGRHDXOM-AABGKKOBSA-N 1 0 321.505 4.195 20 30 DIEDRO N#CCc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001175368277 1048281904 /nfs/dbraw/zinc/28/19/04/1048281904.db2.gz ZWIQIBYKBFWLCU-UHFFFAOYSA-N 1 0 305.425 4.482 20 30 DIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Cl)c(F)c1 ZINC000555291202 1048312824 /nfs/dbraw/zinc/31/28/24/1048312824.db2.gz BGDIFYORBHZUSH-LBPRGKRZSA-N 1 0 302.780 4.244 20 30 DIEDRO CC(C)CC[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001201630778 1048327983 /nfs/dbraw/zinc/32/79/83/1048327983.db2.gz YHDQPXJBVRLPMR-UHFFFAOYSA-N 1 0 317.436 4.478 20 30 DIEDRO CCCCCCCCCCC[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001201630468 1048328991 /nfs/dbraw/zinc/32/89/91/1048328991.db2.gz ABLUWZGNHJBNEA-UHFFFAOYSA-N 1 0 322.493 4.296 20 30 DIEDRO C[C@H]1C[C@H](Nc2cc(F)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001162679909 1048333344 /nfs/dbraw/zinc/33/33/44/1048333344.db2.gz ATNSRZLAHCLOIY-HNAYVOBHSA-N 1 0 323.415 4.162 20 30 DIEDRO CC(=N[S@](=O)C(C)(C)C)c1ccc(NC(=[NH2+])C(C)(C)C)cc1 ZINC001162666746 1048334055 /nfs/dbraw/zinc/33/40/55/1048334055.db2.gz NTRMRVKUFAYRGQ-FNUHDPNESA-N 1 0 321.490 4.393 20 30 DIEDRO C=CCOCC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000555415340 1048341789 /nfs/dbraw/zinc/34/17/89/1048341789.db2.gz PXQCKSODTMVWGN-UHFFFAOYSA-N 1 0 311.878 4.099 20 30 DIEDRO N#Cc1cccc(C2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC001201664129 1048346396 /nfs/dbraw/zinc/34/63/96/1048346396.db2.gz VZJRDHHTGWVNHM-UHFFFAOYSA-N 1 0 304.437 4.370 20 30 DIEDRO CC(C)[C@@H](C#N)c1ccc(-n2c3ccccc3nc2[C@@H](C)[NH3+])cc1 ZINC001162777274 1048356286 /nfs/dbraw/zinc/35/62/86/1048356286.db2.gz OTQHULBJEPQLRA-RHSMWYFYSA-N 1 0 318.424 4.308 20 30 DIEDRO CC(C)COc1cccc(C[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC001175532914 1048358475 /nfs/dbraw/zinc/35/84/75/1048358475.db2.gz RBJAZNFWMSMMJI-UHFFFAOYSA-N 1 0 322.452 4.268 20 30 DIEDRO CC(C)C[N@H+](Cc1cnc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000600111835 1048358858 /nfs/dbraw/zinc/35/88/58/1048358858.db2.gz QHYCEPGTCZAQAT-UHFFFAOYSA-N 1 0 309.413 4.082 20 30 DIEDRO CCc1nc(C(C)C)ccc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC001175532991 1048359169 /nfs/dbraw/zinc/35/91/69/1048359169.db2.gz SEMHXCDQTQMTAC-UHFFFAOYSA-N 1 0 321.468 4.314 20 30 DIEDRO CCCCC[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001201737175 1048359993 /nfs/dbraw/zinc/35/99/93/1048359993.db2.gz GKOWTKXCYDIYMY-UHFFFAOYSA-N 1 0 306.837 4.245 20 30 DIEDRO CCCCCCC[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001201762770 1048370422 /nfs/dbraw/zinc/37/04/22/1048370422.db2.gz UGQWAXPHFRPWKX-SFHVURJKSA-N 1 0 309.494 4.007 20 30 DIEDRO CC(C)=CC[N@H+](CCOCCC#N)Cc1ccc(Cl)cc1 ZINC000555504051 1048373793 /nfs/dbraw/zinc/37/37/93/1048373793.db2.gz ZGTQZGZCGWUEII-UHFFFAOYSA-N 1 0 306.837 4.038 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201804735 1048373752 /nfs/dbraw/zinc/37/37/52/1048373752.db2.gz RLWOTYCKTATZCX-HUUCEWRRSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001201804732 1048373992 /nfs/dbraw/zinc/37/39/92/1048373992.db2.gz RLWOTYCKTATZCX-GJZGRUSLSA-N 1 0 309.416 4.372 20 30 DIEDRO CCCCCCCCCC[N@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001201852502 1048380547 /nfs/dbraw/zinc/38/05/47/1048380547.db2.gz ATPLSGRZAJJQPC-GOSISDBHSA-N 1 0 321.509 4.102 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001201852769 1048380808 /nfs/dbraw/zinc/38/08/08/1048380808.db2.gz KUBWWBBUTIEPMX-HNNXBMFYSA-N 1 0 309.416 4.374 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2nc(C(C)(C)C)ccc2C#N)c1 ZINC001162902040 1048380896 /nfs/dbraw/zinc/38/08/96/1048380896.db2.gz FAQHJYSRHJAHIG-CYBMUJFWSA-N 1 0 318.424 4.214 20 30 DIEDRO CCCCCCCCCC[N@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001201852503 1048381384 /nfs/dbraw/zinc/38/13/84/1048381384.db2.gz ATPLSGRZAJJQPC-SFHVURJKSA-N 1 0 321.509 4.102 20 30 DIEDRO CCCCCCCC[NH+]1CCC2(CCOC[C@H]2COC)CC1 ZINC001201825995 1048383129 /nfs/dbraw/zinc/38/31/29/1048383129.db2.gz KPSYRCUNUGLOJG-GOSISDBHSA-N 1 0 311.510 4.112 20 30 DIEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCCCCCCC)C2 ZINC001201826372 1048383336 /nfs/dbraw/zinc/38/33/36/1048383336.db2.gz TZMPVQCXORTJRZ-RTBURBONSA-N 1 0 309.494 4.173 20 30 DIEDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc(C#N)c3[nH]ccc32)c1 ZINC001162907960 1048384941 /nfs/dbraw/zinc/38/49/41/1048384941.db2.gz IIKJPCHQHILEAG-LBPRGKRZSA-N 1 0 300.365 4.003 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2nn(CC)cc2[C@@H](COC)C1 ZINC001201839767 1048386684 /nfs/dbraw/zinc/38/66/84/1048386684.db2.gz RJGDVONLPQIZKS-QGZVFWFLSA-N 1 0 321.509 4.199 20 30 DIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000481383710 1048387067 /nfs/dbraw/zinc/38/70/67/1048387067.db2.gz SBOPYCYMTSEVDD-ACJLOTCBSA-N 1 0 314.816 4.077 20 30 DIEDRO CCCCCCCCC[N@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001201840306 1048387431 /nfs/dbraw/zinc/38/74/31/1048387431.db2.gz YAQLKLYJNNSYTJ-GOSISDBHSA-N 1 0 321.509 4.106 20 30 DIEDRO CCCCCCCC[NH+]1CC(N2Cc3ccccc3NC2=O)C1 ZINC001201840512 1048388229 /nfs/dbraw/zinc/38/82/29/1048388229.db2.gz YWQLNHUEISXLQK-UHFFFAOYSA-N 1 0 315.461 4.079 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC001201847334 1048388856 /nfs/dbraw/zinc/38/88/56/1048388856.db2.gz VFWZSLQAKRVTAN-FQEVSTJZSA-N 1 0 314.473 4.333 20 30 DIEDRO Cc1ccc2cc(C[N@@H+]3CCc4c(CC#N)cccc4C3)[nH]c2c1 ZINC000600212554 1048390181 /nfs/dbraw/zinc/39/01/81/1048390181.db2.gz GDFDSCLUCKLEEU-UHFFFAOYSA-N 1 0 315.420 4.101 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CC(Cc3cccs3)C2)cc1 ZINC000600214898 1048392021 /nfs/dbraw/zinc/39/20/21/1048392021.db2.gz GUGSGLXGNBOCRH-UHFFFAOYSA-N 1 0 310.466 4.224 20 30 DIEDRO CCCCCCCCCC[NH+]1CCC2(C[C@@H]2C(=O)N(C)C)CC1 ZINC001201874709 1048394037 /nfs/dbraw/zinc/39/40/37/1048394037.db2.gz DDMNNUZVTWBPRM-GOSISDBHSA-N 1 0 322.537 4.317 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001201874654 1048394427 /nfs/dbraw/zinc/39/44/27/1048394427.db2.gz BQUAAVSZABNSQQ-ROUUACIJSA-N 1 0 308.510 4.070 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCc2cccnc21 ZINC000481430514 1048402640 /nfs/dbraw/zinc/40/26/40/1048402640.db2.gz AAZNOSYHCFJTJI-LJQANCHMSA-N 1 0 323.415 4.382 20 30 DIEDRO CC(C)(C)CC[N@H+](CCc1ccccc1)Cc1cc(C#N)ccn1 ZINC001175680015 1048414566 /nfs/dbraw/zinc/41/45/66/1048414566.db2.gz YLLLECBPSKJGNR-UHFFFAOYSA-N 1 0 321.468 4.434 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000775141529 1048433037 /nfs/dbraw/zinc/43/30/37/1048433037.db2.gz DGWYFIHXYSFPFV-KRWDZBQOSA-N 1 0 310.526 4.316 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481671455 1048452713 /nfs/dbraw/zinc/45/27/13/1048452713.db2.gz BPRMLPDEGSTZIZ-IERDGZPVSA-N 1 0 318.420 4.141 20 30 DIEDRO C=C(C)CNc1cc(Br)ccc1C[NH+](CC)CC ZINC001163380644 1048463269 /nfs/dbraw/zinc/46/32/69/1048463269.db2.gz DZMKTTCLYZWNLN-UHFFFAOYSA-N 1 0 311.267 4.279 20 30 DIEDRO C=CCCCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001202111506 1048465111 /nfs/dbraw/zinc/46/51/11/1048465111.db2.gz VGVVNTZGAAICNN-UHFFFAOYSA-N 1 0 309.207 4.036 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cc2ccccc2nc1OC)c1ccccc1 ZINC000776253567 1048466946 /nfs/dbraw/zinc/46/69/46/1048466946.db2.gz XYBUSXIYHZSIMM-LJQANCHMSA-N 1 0 316.404 4.098 20 30 DIEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1ccc2cc(C)ccc2n1 ZINC001163465477 1048474136 /nfs/dbraw/zinc/47/41/36/1048474136.db2.gz BOUIAZJCHDNDMS-UHFFFAOYSA-N 1 0 318.424 4.032 20 30 DIEDRO CC(=NCc1cccc(C[NH3+])c1)Nc1nccc2cccc(C)c21 ZINC001163472711 1048476394 /nfs/dbraw/zinc/47/63/94/1048476394.db2.gz CJXSWJXFMLIBFB-UHFFFAOYSA-N 1 0 318.424 4.032 20 30 DIEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@H]1C ZINC001202204337 1048480528 /nfs/dbraw/zinc/48/05/28/1048480528.db2.gz UHJRRXPFEWDBEC-AOIWGVFYSA-N 1 0 313.489 4.198 20 30 DIEDRO CCOc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC001163680357 1048503152 /nfs/dbraw/zinc/50/31/52/1048503152.db2.gz PCZUEJQQCAIOML-UHFFFAOYSA-N 1 0 308.303 4.141 20 30 DIEDRO Cc1cc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)ccc1N(C)C ZINC001163685903 1048503310 /nfs/dbraw/zinc/50/33/10/1048503310.db2.gz UOVMRHHZHXGEHB-UHFFFAOYSA-N 1 0 321.346 4.117 20 30 DIEDRO CC(C)(C)c1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cn1 ZINC001163684436 1048504134 /nfs/dbraw/zinc/50/41/34/1048504134.db2.gz XLLGQABJGKJBBE-UHFFFAOYSA-N 1 0 321.346 4.435 20 30 DIEDRO COC=Cc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC001163685737 1048504392 /nfs/dbraw/zinc/50/43/92/1048504392.db2.gz SAWVLDBKLWWFOA-ZHACJKMWSA-N 1 0 320.314 4.360 20 30 DIEDRO Cc1c(C)n(-c2ccc(CC#N)cc2C)c2ccc(C[NH3+])cc12 ZINC001163761539 1048520542 /nfs/dbraw/zinc/52/05/42/1048520542.db2.gz GDFWAAXHFMDSOJ-UHFFFAOYSA-N 1 0 303.409 4.081 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000159636063 1048578938 /nfs/dbraw/zinc/57/89/38/1048578938.db2.gz ICEBEJZJHDKFAM-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO N#Cc1cc(F)c(F)cc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176198078 1048582746 /nfs/dbraw/zinc/58/27/46/1048582746.db2.gz VJSNCCCSUXCHIJ-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCCc2cccnc21 ZINC000482281344 1048584061 /nfs/dbraw/zinc/58/40/61/1048584061.db2.gz JPHGDHXSUKADPR-QGZVFWFLSA-N 1 0 311.454 4.304 20 30 DIEDRO CCC[N@H+](Cc1cc(C#N)cs1)[C@H]1CCCc2cccnc21 ZINC000482275007 1048584481 /nfs/dbraw/zinc/58/44/81/1048584481.db2.gz GLOPRMMKYGRWNO-KRWDZBQOSA-N 1 0 311.454 4.304 20 30 DIEDRO CC[C@](C)([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 ZINC000107717465 1048591609 /nfs/dbraw/zinc/59/16/09/1048591609.db2.gz HBICEXIZCIFVOV-JXFKEZNVSA-N 1 0 308.425 4.392 20 30 DIEDRO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000158606487 1048603525 /nfs/dbraw/zinc/60/35/25/1048603525.db2.gz GPAJNFDGEYJQEM-UXHICEINSA-N 1 0 309.457 4.165 20 30 DIEDRO C[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(F)c1 ZINC000850080241 1048616510 /nfs/dbraw/zinc/61/65/10/1048616510.db2.gz HYNRGRIMZKDYTE-HNNXBMFYSA-N 1 0 308.400 4.274 20 30 DIEDRO C=C(C)[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(F)c(F)c1 ZINC000482503839 1048621233 /nfs/dbraw/zinc/62/12/33/1048621233.db2.gz FETRFWQDJIPJFI-GOSISDBHSA-N 1 0 309.400 4.378 20 30 DIEDRO C#CC[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1 ZINC000850226234 1048624477 /nfs/dbraw/zinc/62/44/77/1048624477.db2.gz LIWKSPWPPHTPMG-GOSISDBHSA-N 1 0 309.384 4.221 20 30 DIEDRO CCCCCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775253939 1048628614 /nfs/dbraw/zinc/62/86/14/1048628614.db2.gz CQJIKYQYGNIKNW-QGZVFWFLSA-N 1 0 304.478 4.144 20 30 DIEDRO COc1cccc2cc(C[NH2+]C(C)(C)c3cccc(C#N)c3)oc21 ZINC000850354857 1048635532 /nfs/dbraw/zinc/63/55/32/1048635532.db2.gz BPVPZSURVFILPO-UHFFFAOYSA-N 1 0 320.392 4.338 20 30 DIEDRO C=CCCC1(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CCCC1 ZINC000850351997 1048636063 /nfs/dbraw/zinc/63/60/63/1048636063.db2.gz KYUCMZTVBBTDGF-ZIAGYGMSSA-N 1 0 305.384 4.213 20 30 DIEDRO C=CCCSCC[NH2+]Cc1sc2nc(C)nc(C)c2c1C ZINC000850354626 1048636492 /nfs/dbraw/zinc/63/64/92/1048636492.db2.gz QRXKNEAGFKBYEW-UHFFFAOYSA-N 1 0 321.515 4.015 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000237512660 1048638297 /nfs/dbraw/zinc/63/82/97/1048638297.db2.gz ZIBAQSCPMGXCEK-IAGOWNOFSA-N 1 0 308.425 4.088 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](CC(C)C)c2ccccc2)CC1 ZINC000482632217 1048650339 /nfs/dbraw/zinc/65/03/39/1048650339.db2.gz UQNHCTCISSQBAH-HXUWFJFHSA-N 1 0 300.490 4.404 20 30 DIEDRO C#CCCCC[NH2+][C@@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000850445944 1048658423 /nfs/dbraw/zinc/65/84/23/1048658423.db2.gz YCILXYTVQYRWRH-HNNXBMFYSA-N 1 0 311.425 4.311 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)c1 ZINC000775305118 1048660177 /nfs/dbraw/zinc/66/01/77/1048660177.db2.gz KSDFSIKLGHGHCI-POAQFYNOSA-N 1 0 312.457 4.450 20 30 DIEDRO CCCCN(CC#N)c1ccc([C@H]2CCCC[N@@H+]2CCC)cn1 ZINC001165159877 1048662758 /nfs/dbraw/zinc/66/27/58/1048662758.db2.gz MJFZZRGCXYACLT-GOSISDBHSA-N 1 0 314.477 4.149 20 30 DIEDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC001176365427 1048662735 /nfs/dbraw/zinc/66/27/35/1048662735.db2.gz PTNHBWAJSAPUIZ-BEFAXECRSA-N 1 0 308.400 4.465 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000850504181 1048673473 /nfs/dbraw/zinc/67/34/73/1048673473.db2.gz WRCCGNPCPXTJIY-HNNXBMFYSA-N 1 0 315.486 4.141 20 30 DIEDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1C ZINC000850522773 1048677229 /nfs/dbraw/zinc/67/72/29/1048677229.db2.gz LJJAHIFWLXHJGO-KRWDZBQOSA-N 1 0 308.425 4.099 20 30 DIEDRO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)c2c1c(F)ccc2O ZINC000850549597 1048688906 /nfs/dbraw/zinc/68/89/06/1048688906.db2.gz HMLUIKUTTUKCCH-TZMCWYRMSA-N 1 0 302.393 4.143 20 30 DIEDRO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1ccc(OCC#N)cc1 ZINC000850554748 1048689161 /nfs/dbraw/zinc/68/91/61/1048689161.db2.gz KWVYDIXWEUCDSE-JPQBHMHHSA-N 1 0 304.409 4.156 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)cc1 ZINC000850571974 1048699357 /nfs/dbraw/zinc/69/93/57/1048699357.db2.gz XFCGZTNQIJMUNB-ZBFHGGJFSA-N 1 0 323.864 4.284 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775361166 1048702507 /nfs/dbraw/zinc/70/25/07/1048702507.db2.gz AWSZRFUWCBDJFG-INIZCTEOSA-N 1 0 310.441 4.168 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC001203235596 1048710209 /nfs/dbraw/zinc/71/02/09/1048710209.db2.gz SDBXBDXXUTUQCY-UHFFFAOYSA-N 1 0 309.837 4.193 20 30 DIEDRO C[N@@H+]1CC[C@@H](c2ccc(NC(C)(C)c3ccc(C#N)cc3)cc2)C1 ZINC001165792424 1048717342 /nfs/dbraw/zinc/71/73/42/1048717342.db2.gz VGAZAPFWMMWQIE-GOSISDBHSA-N 1 0 319.452 4.325 20 30 DIEDRO Cc1ccc(NC(C)(C)c2ccc(C#N)cc2)c(C[NH+](C)C)c1 ZINC001165792186 1048717647 /nfs/dbraw/zinc/71/76/47/1048717647.db2.gz MWPFWGHUADAXNJ-UHFFFAOYSA-N 1 0 307.441 4.276 20 30 DIEDRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001190382583 1048724045 /nfs/dbraw/zinc/72/40/45/1048724045.db2.gz JLKKXEJQQNOEFY-ZDUSSCGKSA-N 1 0 300.352 4.072 20 30 DIEDRO Cc1cccc(C)c1C[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC001176554390 1048725249 /nfs/dbraw/zinc/72/52/49/1048725249.db2.gz DQBITEIYRRXZAX-UHFFFAOYSA-N 1 0 308.425 4.076 20 30 DIEDRO N#CCSCCC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483114702 1048739109 /nfs/dbraw/zinc/73/91/09/1048739109.db2.gz WUDKQHRVKARBFY-UHFFFAOYSA-N 1 0 308.878 4.166 20 30 DIEDRO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483171654 1048752946 /nfs/dbraw/zinc/75/29/46/1048752946.db2.gz DEQRUGWSBXTFQJ-NSHDSACASA-N 1 0 322.239 4.397 20 30 DIEDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775402018 1048767672 /nfs/dbraw/zinc/76/76/72/1048767672.db2.gz XHUKKPQRLVNKSU-NQERJWCQSA-N 1 0 320.436 4.037 20 30 DIEDRO C[C@@H](c1ccccc1)[N@@H+](Cc1cc(C#N)n(C)c1)CC1CCC1 ZINC000483270514 1048768172 /nfs/dbraw/zinc/76/81/72/1048768172.db2.gz VEGWOMKZHWGDQS-INIZCTEOSA-N 1 0 307.441 4.260 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)cc1C#N ZINC000483291784 1048773846 /nfs/dbraw/zinc/77/38/46/1048773846.db2.gz RTOJDRZAAFMWEM-NRFANRHFSA-N 1 0 315.420 4.387 20 30 DIEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000775407257 1048779272 /nfs/dbraw/zinc/77/92/72/1048779272.db2.gz CXEOOHNJRPUCSS-RTWAWAEBSA-N 1 0 322.452 4.277 20 30 DIEDRO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc1C#N ZINC000483357184 1048784049 /nfs/dbraw/zinc/78/40/49/1048784049.db2.gz PBXSUUMRZJSJEH-NJYVYQBISA-N 1 0 319.452 4.055 20 30 DIEDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000483403176 1048789385 /nfs/dbraw/zinc/78/93/85/1048789385.db2.gz HPLCHYOSHPXKET-IBGZPJMESA-N 1 0 312.363 4.000 20 30 DIEDRO C=CC[C@H]1CC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC001176813899 1048790821 /nfs/dbraw/zinc/79/08/21/1048790821.db2.gz HVZBVIFDEUSJBB-HNNXBMFYSA-N 1 0 317.230 4.148 20 30 DIEDRO C=CCN(CCOC)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000483428671 1048794264 /nfs/dbraw/zinc/79/42/64/1048794264.db2.gz DRCXNUOXHXKIBT-UHFFFAOYSA-N 1 0 322.861 4.098 20 30 DIEDRO C=C(C)CC[N@@H+](CCC)C1CCN(Cc2ccccc2)CC1 ZINC001176892071 1048797951 /nfs/dbraw/zinc/79/79/51/1048797951.db2.gz QSQVTEYXGAOYLZ-UHFFFAOYSA-N 1 0 300.490 4.329 20 30 DIEDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001190944844 1048804074 /nfs/dbraw/zinc/80/40/74/1048804074.db2.gz SSDZMDDGEMCZCK-FQEVSTJZSA-N 1 0 308.400 4.251 20 30 DIEDRO C=C(C)c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc1 ZINC001166889311 1048807798 /nfs/dbraw/zinc/80/77/98/1048807798.db2.gz PYCZXQVDSGUTLU-LJQANCHMSA-N 1 0 307.441 4.364 20 30 DIEDRO Cc1cccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C#N ZINC001166900092 1048811475 /nfs/dbraw/zinc/81/14/75/1048811475.db2.gz HCCJLBWOZLWKAU-HXUWFJFHSA-N 1 0 305.425 4.116 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1F ZINC000483513936 1048812459 /nfs/dbraw/zinc/81/24/59/1048812459.db2.gz POBINUCTQXTGML-GOSISDBHSA-N 1 0 312.363 4.044 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)c1cccc(OC)c1 ZINC000483513661 1048812755 /nfs/dbraw/zinc/81/27/55/1048812755.db2.gz OJJWQZOISZRXKJ-CQSZACIVSA-N 1 0 312.388 4.289 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)c1ccc(F)cc1 ZINC000483519610 1048813238 /nfs/dbraw/zinc/81/32/38/1048813238.db2.gz QSDVNLIUWZPLKQ-ZDUSSCGKSA-N 1 0 300.352 4.420 20 30 DIEDRO C(#Cc1ccccc1)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000483526914 1048815641 /nfs/dbraw/zinc/81/56/41/1048815641.db2.gz AXVVLGPUEHLHJG-GOSISDBHSA-N 1 0 318.445 4.485 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000038003371 1048816781 /nfs/dbraw/zinc/81/67/81/1048816781.db2.gz AMWSDPBJFJPITI-JTQLQIEISA-N 1 0 321.243 4.233 20 30 DIEDRO C=CCCCC[N@@H+](CC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001177039102 1048819262 /nfs/dbraw/zinc/81/92/62/1048819262.db2.gz TVOJXJQOTDPOMU-INIZCTEOSA-N 1 0 310.482 4.064 20 30 DIEDRO CC(C)[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1F ZINC000483600746 1048823193 /nfs/dbraw/zinc/82/31/93/1048823193.db2.gz NBVRIZUPCHVILS-UHFFFAOYSA-N 1 0 300.352 4.247 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000483631289 1048829533 /nfs/dbraw/zinc/82/95/33/1048829533.db2.gz AYVKUKRVCCTQTE-NVXWUHKLSA-N 1 0 313.445 4.446 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCc3ccc(Cl)cc3)cc2)CC1 ZINC001177109024 1048831422 /nfs/dbraw/zinc/83/14/22/1048831422.db2.gz YAZREGBHDSPOHR-UHFFFAOYSA-N 1 0 310.828 4.227 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@]1(C)CC1(Cl)Cl ZINC001167023622 1048832106 /nfs/dbraw/zinc/83/21/06/1048832106.db2.gz IMBQBMSHUYJLDX-HNNXBMFYSA-N 1 0 311.256 4.354 20 30 DIEDRO CCc1cc(C[N@H+](CC)C[C@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000110494777 1048832841 /nfs/dbraw/zinc/83/28/41/1048832841.db2.gz ZDCMYYWAXXAUFS-CQSZACIVSA-N 1 0 302.462 4.234 20 30 DIEDRO CC(C)(C)[N@H+](Cc1ccsc1)Cc1ccc(OCC#N)cc1 ZINC000852311858 1048833287 /nfs/dbraw/zinc/83/32/87/1048833287.db2.gz NXTFGSYWNZFQIY-UHFFFAOYSA-N 1 0 314.454 4.451 20 30 DIEDRO CC[C@@H](c1ccc(F)cc1)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328463 1048833594 /nfs/dbraw/zinc/83/35/94/1048833594.db2.gz FSFXMKXSXXNXFN-AZUAARDMSA-N 1 0 323.415 4.229 20 30 DIEDRO Cc1cccc([C@@H](C)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852328852 1048834154 /nfs/dbraw/zinc/83/41/54/1048834154.db2.gz OGVCGTRCLZEKAF-XLIONFOSSA-N 1 0 305.425 4.008 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000852412224 1048837328 /nfs/dbraw/zinc/83/73/28/1048837328.db2.gz ZQDSMMGTKWDAKO-JKSUJKDBSA-N 1 0 311.429 4.394 20 30 DIEDRO CCCCCCCCNC(=O)Nc1ccc2c(c1)C[N@@H+](C)CC2 ZINC001191072256 1048840451 /nfs/dbraw/zinc/84/04/51/1048840451.db2.gz CWSPJWAVQONCCD-UHFFFAOYSA-N 1 0 317.477 4.157 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCCOc2ccccc2)cc1 ZINC001177199580 1048841914 /nfs/dbraw/zinc/84/19/14/1048841914.db2.gz MOYDAKZJYZUYHY-UHFFFAOYSA-N 1 0 322.452 4.437 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1F ZINC000852446921 1048842218 /nfs/dbraw/zinc/84/22/18/1048842218.db2.gz NGLMGHJJGKCVIZ-LJQANCHMSA-N 1 0 312.388 4.215 20 30 DIEDRO N#CCOc1ccc(C[N@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000852564288 1048849298 /nfs/dbraw/zinc/84/92/98/1048849298.db2.gz MDIAQYPPCXOAOW-UHFFFAOYSA-N 1 0 324.399 4.140 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]C1CCC2(CCC2)CC1)C(C)C ZINC001177225456 1048849864 /nfs/dbraw/zinc/84/98/64/1048849864.db2.gz AYOWOMKXRBKDHT-LJQANCHMSA-N 1 0 304.522 4.388 20 30 DIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483727226 1048852098 /nfs/dbraw/zinc/85/20/98/1048852098.db2.gz MUOZRGQNUKRCPM-XOBRGWDASA-N 1 0 324.399 4.289 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)C1 ZINC001177240770 1048852724 /nfs/dbraw/zinc/85/27/24/1048852724.db2.gz USBNMMDLBUWZGW-NVXWUHKLSA-N 1 0 324.424 4.366 20 30 DIEDRO CCCCCCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001191123344 1048857200 /nfs/dbraw/zinc/85/72/00/1048857200.db2.gz NCMMNXMHFRWWHF-UHFFFAOYSA-N 1 0 323.525 4.053 20 30 DIEDRO CCCCCCCCCN(C)C(=O)c1cccc2c1C[NH2+]C2 ZINC000852794695 1048859775 /nfs/dbraw/zinc/85/97/75/1048859775.db2.gz SFTGVMQEUBOPAJ-UHFFFAOYSA-N 1 0 302.462 4.112 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)cc1 ZINC000853091526 1048880139 /nfs/dbraw/zinc/88/01/39/1048880139.db2.gz LHWPDGCKUZUNPS-IIBYNOLFSA-N 1 0 320.436 4.392 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000484057590 1048897374 /nfs/dbraw/zinc/89/73/74/1048897374.db2.gz IBVJBNKRMXAYSW-SFHVURJKSA-N 1 0 318.342 4.462 20 30 DIEDRO C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000484079196 1048899666 /nfs/dbraw/zinc/89/96/66/1048899666.db2.gz FIJSWPOYMNVFEX-LBPRGKRZSA-N 1 0 318.779 4.080 20 30 DIEDRO CC(C)[C@H](C[NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC001203447919 1048903321 /nfs/dbraw/zinc/90/33/21/1048903321.db2.gz SCQVVLTYHQAGJW-SFTDATJTSA-N 1 0 304.437 4.055 20 30 DIEDRO Cc1ccc(C(C)(C)C[N@H+](C)CCOc2ccccc2C#N)cc1 ZINC001191233873 1048904920 /nfs/dbraw/zinc/90/49/20/1048904920.db2.gz QIGHNADUMPNCEF-UHFFFAOYSA-N 1 0 322.452 4.155 20 30 DIEDRO N#CC[C@H]1CCCN(Cn2c(=S)oc3cc(Cl)ccc32)C1 ZINC000853525286 1048909428 /nfs/dbraw/zinc/90/94/28/1048909428.db2.gz CQJUHSKYCQJNDF-LLVKDONJSA-N 1 0 321.833 4.200 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CCC(C)C)C2)cc1C#N ZINC001203486208 1048911287 /nfs/dbraw/zinc/91/12/87/1048911287.db2.gz XLRTWCKKVOAUCJ-QAPCUYQASA-N 1 0 300.446 4.261 20 30 DIEDRO C=C(C)COCC[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000163522362 1048916708 /nfs/dbraw/zinc/91/67/08/1048916708.db2.gz MJXMQPJISQJZSX-HNNXBMFYSA-N 1 0 312.251 4.083 20 30 DIEDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001191342123 1048919649 /nfs/dbraw/zinc/91/96/49/1048919649.db2.gz OVIRXKVTRVKEAZ-OAHLLOKOSA-N 1 0 308.372 4.170 20 30 DIEDRO COc1ccc2c(Nc3cc(F)c(F)c(C#N)c3)cc[nH+]c2c1 ZINC001203527967 1048920882 /nfs/dbraw/zinc/92/08/82/1048920882.db2.gz JBFROGXGDYRTIN-UHFFFAOYSA-N 1 0 311.291 4.137 20 30 DIEDRO COCC#CC[N@H+](C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC001191341295 1048921414 /nfs/dbraw/zinc/92/14/14/1048921414.db2.gz MCFDSHQVAKESDP-VQTJNVASSA-N 1 0 303.490 4.240 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000484297548 1048922421 /nfs/dbraw/zinc/92/24/21/1048922421.db2.gz UVGPDGDHAPLAER-QZTJIDSGSA-N 1 0 311.473 4.206 20 30 DIEDRO CC(C)[C@](C)([NH2+]CC1(C#N)CC1)c1ccc(Br)cc1 ZINC000484322170 1048923934 /nfs/dbraw/zinc/92/39/34/1048923934.db2.gz CDZMKJWOOVIZES-HNNXBMFYSA-N 1 0 321.262 4.214 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)C1 ZINC001177636641 1048925206 /nfs/dbraw/zinc/92/52/06/1048925206.db2.gz AHQLVWVUBPCBKH-LSDHHAIUSA-N 1 0 304.503 4.289 20 30 DIEDRO N#CC1CCC(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)CC1 ZINC001191329726 1048927395 /nfs/dbraw/zinc/92/73/95/1048927395.db2.gz JSTNAHYFIPEJLD-ABHNRTSZSA-N 1 0 314.498 4.431 20 30 DIEDRO C=C(C[NH2+]Cc1cc(OC)c(OC)cc1Cl)c1ccccc1 ZINC001177687595 1048931877 /nfs/dbraw/zinc/93/18/77/1048931877.db2.gz COWPVPLBNROZHG-UHFFFAOYSA-N 1 0 317.816 4.160 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1 ZINC001177712490 1048936334 /nfs/dbraw/zinc/93/63/34/1048936334.db2.gz JXBOIYFYGUQJPB-MRXNPFEDSA-N 1 0 311.425 4.068 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@H]2C)cc1OC ZINC001177765767 1048941236 /nfs/dbraw/zinc/94/12/36/1048941236.db2.gz YBSJSWISOPRZQH-DOMZBBRYSA-N 1 0 309.837 4.192 20 30 DIEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001191477588 1048948871 /nfs/dbraw/zinc/94/88/71/1048948871.db2.gz ZBSRKFUWWCYWBR-YLJYHZDGSA-N 1 0 307.412 4.130 20 30 DIEDRO C=CC[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccncc1 ZINC001177885137 1048956594 /nfs/dbraw/zinc/95/65/94/1048956594.db2.gz OAINEIWHFOFVRJ-HNNXBMFYSA-N 1 0 301.459 4.243 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1C)c1ccccc1 ZINC000775462752 1048957231 /nfs/dbraw/zinc/95/72/31/1048957231.db2.gz DKYYPVWOWQGZGV-VQTJNVASSA-N 1 0 313.416 4.465 20 30 DIEDRO CSC1CCC(C[NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC001203672622 1048957605 /nfs/dbraw/zinc/95/76/05/1048957605.db2.gz SNIXQLQPLFMFCM-UHFFFAOYSA-N 1 0 302.487 4.187 20 30 DIEDRO CCCCCCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC001191569393 1048967384 /nfs/dbraw/zinc/96/73/84/1048967384.db2.gz ONCCXYWYIABFQV-UHFFFAOYSA-N 1 0 320.452 4.447 20 30 DIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)cc(OC)c1O ZINC001177951025 1048970033 /nfs/dbraw/zinc/97/00/33/1048970033.db2.gz YVUWNYJTWXQGSN-WMLDXEAASA-N 1 0 317.473 4.434 20 30 DIEDRO C=CC[N@@H+](Cc1nc(-c2cccs2)no1)CC1CCCCC1 ZINC000484564029 1048975045 /nfs/dbraw/zinc/97/50/45/1048975045.db2.gz FLIHHTIAJASVKC-UHFFFAOYSA-N 1 0 317.458 4.366 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2cccnc2Br)CCCC1(C)C ZINC001205569848 1048977918 /nfs/dbraw/zinc/97/79/18/1048977918.db2.gz XWZZPZFGPBMZOP-CQSZACIVSA-N 1 0 323.278 4.411 20 30 DIEDRO Cc1cc(C[NH2+]CC2(Cc3ccccc3)CCC2)ccc1C#N ZINC001178055875 1048980746 /nfs/dbraw/zinc/98/07/46/1048980746.db2.gz SAVCQYVXTXKKTH-UHFFFAOYSA-N 1 0 304.437 4.369 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2cccnc21 ZINC001203750007 1048989822 /nfs/dbraw/zinc/98/98/22/1048989822.db2.gz DAJGOMLYVVYEBD-UHFFFAOYSA-N 1 0 315.420 4.217 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001178165984 1048992079 /nfs/dbraw/zinc/99/20/79/1048992079.db2.gz QDLDYPMLMKDFMZ-CYBMUJFWSA-N 1 0 323.278 4.104 20 30 DIEDRO C[C@H]1OC2(CC[NH+](Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC001203764833 1048992741 /nfs/dbraw/zinc/99/27/41/1048992741.db2.gz NRDLOQBVBQAMTC-MRXNPFEDSA-N 1 0 318.420 4.141 20 30 DIEDRO N#Cc1cccc(C[N@H+](CCCCCCO)Cc2ccccc2)c1 ZINC001203764066 1048992813 /nfs/dbraw/zinc/99/28/13/1048992813.db2.gz WVVHRZYSCLJSED-UHFFFAOYSA-N 1 0 322.452 4.113 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)c1 ZINC001203763619 1048993172 /nfs/dbraw/zinc/99/31/72/1048993172.db2.gz DEUKGWPCBWVDOG-SFHVURJKSA-N 1 0 312.413 4.064 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)c1 ZINC001203764162 1048993408 /nfs/dbraw/zinc/99/34/08/1048993408.db2.gz ZYVGIIKAHRPZRO-FQEVSTJZSA-N 1 0 320.436 4.022 20 30 DIEDRO N#Cc1cccc(C[NH+]2CCC(c3ccc(F)cc3F)CC2)c1 ZINC001203764615 1048994087 /nfs/dbraw/zinc/99/40/87/1048994087.db2.gz JFFNNTRXHKQVJY-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C#CCC[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC001191743612 1048995875 /nfs/dbraw/zinc/99/58/75/1048995875.db2.gz UFUIRLCYEAMUJN-UHFFFAOYSA-N 1 0 306.247 4.217 20 30 DIEDRO N#Cc1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)c(F)c1F ZINC001203816998 1049009509 /nfs/dbraw/zinc/00/95/09/1049009509.db2.gz UJGFFMMHJSWVIL-UHFFFAOYSA-N 1 0 313.351 4.176 20 30 DIEDRO COc1cccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c1 ZINC001203822571 1049010785 /nfs/dbraw/zinc/01/07/85/1049010785.db2.gz QRORSZGPTVKYIJ-UHFFFAOYSA-N 1 0 320.436 4.022 20 30 DIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000776794646 1049014042 /nfs/dbraw/zinc/01/40/42/1049014042.db2.gz FVFONAXUOJQKSJ-LJQANCHMSA-N 1 0 312.363 4.482 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000776799601 1049019141 /nfs/dbraw/zinc/01/91/41/1049019141.db2.gz MTRPQOSYNIUUFY-CYBMUJFWSA-N 1 0 307.422 4.327 20 30 DIEDRO CN(Cc1ccncc1C#N)C1c2ccccc2-c2ccccc21 ZINC001191997527 1049023489 /nfs/dbraw/zinc/02/34/89/1049023489.db2.gz MUGTYCLXRQNJLV-UHFFFAOYSA-N 1 0 311.388 4.155 20 30 DIEDRO Cc1cccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001203893318 1049025767 /nfs/dbraw/zinc/02/57/67/1049025767.db2.gz AJGAVBMAKIOWHP-UHFFFAOYSA-N 1 0 308.400 4.192 20 30 DIEDRO N#CCC[N@@H+](Cc1ccc(Br)cc1)C1CCCC1 ZINC001203909725 1049027043 /nfs/dbraw/zinc/02/70/43/1049027043.db2.gz CFJRGWBFPZQLSF-UHFFFAOYSA-N 1 0 307.235 4.107 20 30 DIEDRO C[C@H]1OC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC001203907222 1049027768 /nfs/dbraw/zinc/02/77/68/1049027768.db2.gz ROCJPQQJFMPDFV-MRXNPFEDSA-N 1 0 318.420 4.141 20 30 DIEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC001203904978 1049028267 /nfs/dbraw/zinc/02/82/67/1049028267.db2.gz MXGBFJWMJWIUDF-AWEZNQCLSA-N 1 0 310.828 4.373 20 30 DIEDRO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC001203903394 1049028751 /nfs/dbraw/zinc/02/87/51/1049028751.db2.gz DYBGUQSBQUEBFW-FQEVSTJZSA-N 1 0 306.409 4.294 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)c1 ZINC001203906055 1049028847 /nfs/dbraw/zinc/02/88/47/1049028847.db2.gz KEMIKYKQCQDNOC-FQEVSTJZSA-N 1 0 320.436 4.022 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@@H](CC)c2ccc(OC)cc2)cc1 ZINC000113314067 1049031465 /nfs/dbraw/zinc/03/14/65/1049031465.db2.gz BLWGXBQOKJZKDB-NRFANRHFSA-N 1 0 323.436 4.338 20 30 DIEDRO CCCCCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC001192012688 1049032112 /nfs/dbraw/zinc/03/21/12/1049032112.db2.gz IYJOQVHFAXIAES-GOSISDBHSA-N 1 0 305.462 4.344 20 30 DIEDRO C=CCCOCC[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001178412459 1049037516 /nfs/dbraw/zinc/03/75/16/1049037516.db2.gz TYPHDIHUNLVZRG-UHFFFAOYSA-N 1 0 315.388 4.300 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)cc1OC ZINC001178509752 1049047397 /nfs/dbraw/zinc/04/73/97/1049047397.db2.gz OLLJCDZYOXNKEX-NVXWUHKLSA-N 1 0 303.446 4.318 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)C(C)C)cc1 ZINC001178519449 1049050332 /nfs/dbraw/zinc/05/03/32/1049050332.db2.gz VEKXLFKYLLYGDP-OAQYLSRUSA-N 1 0 321.464 4.303 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC001178532042 1049051788 /nfs/dbraw/zinc/05/17/88/1049051788.db2.gz HSLIRXJNLFKAFR-LAUBAEHRSA-N 1 0 324.468 4.032 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC001178532041 1049052702 /nfs/dbraw/zinc/05/27/02/1049052702.db2.gz HSLIRXJNLFKAFR-DYESRHJHSA-N 1 0 324.468 4.032 20 30 DIEDRO COc1ccc2ccccc2c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001203989977 1049054129 /nfs/dbraw/zinc/05/41/29/1049054129.db2.gz ORJYGVSNPXOXBO-XGBSXSJOSA-N 1 0 306.409 4.115 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)C1 ZINC001178532795 1049054611 /nfs/dbraw/zinc/05/46/11/1049054611.db2.gz YBISEZZFDXJXIS-UWVAXJGDSA-N 1 0 317.473 4.496 20 30 DIEDRO CC1(C)CCC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC001178504662 1049055542 /nfs/dbraw/zinc/05/55/42/1049055542.db2.gz CRHCLGALEMNTAE-AWEZNQCLSA-N 1 0 321.262 4.379 20 30 DIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001178584643 1049056715 /nfs/dbraw/zinc/05/67/15/1049056715.db2.gz NBBUFFVBOMUABV-PZJWPPBQSA-N 1 0 307.437 4.424 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001192252150 1049059144 /nfs/dbraw/zinc/05/91/44/1049059144.db2.gz GMLFXEXQVWYERN-RTBURBONSA-N 1 0 300.490 4.328 20 30 DIEDRO CCCCCCCC[C@H](CO)[NH2+][C@H]1CCc2cccnc2CC1 ZINC001204011450 1049060253 /nfs/dbraw/zinc/06/02/53/1049060253.db2.gz AHHAADNOAQQJDZ-RBUKOAKNSA-N 1 0 318.505 4.030 20 30 DIEDRO CSCc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC001178561399 1049060763 /nfs/dbraw/zinc/06/07/63/1049060763.db2.gz INGLVXSPERTRPQ-UHFFFAOYSA-N 1 0 316.857 4.364 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)s1 ZINC001204032990 1049065831 /nfs/dbraw/zinc/06/58/31/1049065831.db2.gz BYVJMDALTKLWLR-UHFFFAOYSA-N 1 0 310.466 4.383 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCCCC1 ZINC001178723652 1049075109 /nfs/dbraw/zinc/07/51/09/1049075109.db2.gz LLCOQCVWOFWWNI-UHFFFAOYSA-N 1 0 321.848 4.480 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccccc2F)c1 ZINC000113952528 1049077685 /nfs/dbraw/zinc/07/76/85/1049077685.db2.gz DKKIGJDMODSDMP-ZBFHGGJFSA-N 1 0 312.388 4.357 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@@H]1C1CCCC1 ZINC001204088828 1049080559 /nfs/dbraw/zinc/08/05/59/1049080559.db2.gz HNGXKRYQMLNXRZ-JKSUJKDBSA-N 1 0 317.860 4.268 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](OC)[C@H](C)CC)cc1Cl ZINC001178766840 1049085236 /nfs/dbraw/zinc/08/52/36/1049085236.db2.gz XQGHYQBWFPYFAY-DYVFJYSZSA-N 1 0 311.853 4.056 20 30 DIEDRO O=C1C=C2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)CC[C@H]2S1 ZINC001204134921 1049091896 /nfs/dbraw/zinc/09/18/96/1049091896.db2.gz HYYZXKJMWNVDQE-LJQANCHMSA-N 1 0 321.445 4.128 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(C=C)cc2)cc1 ZINC001178778178 1049094137 /nfs/dbraw/zinc/09/41/37/1049094137.db2.gz INJNTCPULXSTHS-UHFFFAOYSA-N 1 0 305.421 4.064 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC001178827511 1049096079 /nfs/dbraw/zinc/09/60/79/1049096079.db2.gz PBFYKHIGSNLUJU-LJQANCHMSA-N 1 0 309.384 4.005 20 30 DIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000856732342 1049102649 /nfs/dbraw/zinc/10/26/49/1049102649.db2.gz NLGFSJGJUTVGDO-MOPGFXCFSA-N 1 0 314.473 4.198 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OCC)c1 ZINC001204189838 1049106361 /nfs/dbraw/zinc/10/63/61/1049106361.db2.gz GDADVZZFMSFLMI-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C=CCCC[C@H](NC(=O)Nc1ccccc1C[NH3+])c1ccccc1 ZINC000904624560 1049108358 /nfs/dbraw/zinc/10/83/58/1049108358.db2.gz UJJNMFNUODRYCQ-SFHVURJKSA-N 1 0 323.440 4.364 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC001204212529 1049112219 /nfs/dbraw/zinc/11/22/19/1049112219.db2.gz RTWPQFRIQDEECO-UHFFFAOYSA-N 1 0 312.363 4.216 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)c1 ZINC001178948840 1049112767 /nfs/dbraw/zinc/11/27/67/1049112767.db2.gz BFKAUHVCSPPMCQ-UHFFFAOYSA-N 1 0 315.363 4.176 20 30 DIEDRO C=CCCCC[N@@H+]1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC001192513863 1049113121 /nfs/dbraw/zinc/11/31/21/1049113121.db2.gz AKMFDBDFRFNPNH-HXUWFJFHSA-N 1 0 300.490 4.329 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)cc(OC)c1O ZINC001178950605 1049113218 /nfs/dbraw/zinc/11/32/18/1049113218.db2.gz PZGVWUWSAJZCMJ-MSOLQXFVSA-N 1 0 315.457 4.045 20 30 DIEDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C#N)c2)cc1F ZINC001192627409 1049124591 /nfs/dbraw/zinc/12/45/91/1049124591.db2.gz VWUSAWWFFVKIGI-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC001192673067 1049128322 /nfs/dbraw/zinc/12/83/22/1049128322.db2.gz LKLWERQUYBUFBQ-NHCUHLMSSA-N 1 0 309.453 4.277 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c(F)c1 ZINC000775542313 1049129451 /nfs/dbraw/zinc/12/94/51/1049129451.db2.gz JHPLJDMJAZNDNJ-SFHVURJKSA-N 1 0 318.342 4.462 20 30 DIEDRO C=CCOCCC[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC001179168735 1049138157 /nfs/dbraw/zinc/13/81/57/1049138157.db2.gz IJFWFAJMTODNSG-UHFFFAOYSA-N 1 0 301.455 4.406 20 30 DIEDRO C#CC[C@H]([NH2+]CCc1nsc2ccccc12)c1ccccc1 ZINC001192790653 1049141635 /nfs/dbraw/zinc/14/16/35/1049141635.db2.gz APJMFGPEZQYBQG-KRWDZBQOSA-N 1 0 306.434 4.193 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC001179232997 1049145727 /nfs/dbraw/zinc/14/57/27/1049145727.db2.gz XYWREICEQIWEEN-UHFFFAOYSA-N 1 0 301.352 4.462 20 30 DIEDRO C=CCCC(C)(C)[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001179232563 1049145797 /nfs/dbraw/zinc/14/57/97/1049145797.db2.gz GQSGAEWYUMZXND-UHFFFAOYSA-N 1 0 315.383 4.073 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1cn(-c2ccccc2F)nc1C ZINC001179238361 1049146042 /nfs/dbraw/zinc/14/60/42/1049146042.db2.gz LMNYKFWJMBLBNN-UHFFFAOYSA-N 1 0 301.409 4.012 20 30 DIEDRO CCCCCCCOc1ccc(C[N@H+](C)CC(OC)OC)cc1 ZINC001204366483 1049150917 /nfs/dbraw/zinc/15/09/17/1049150917.db2.gz JOVQUQMCHRXBGV-UHFFFAOYSA-N 1 0 323.477 4.087 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1 ZINC001204366861 1049151137 /nfs/dbraw/zinc/15/11/37/1049151137.db2.gz YNTWKRUPIBHIRA-HKUYNNGSSA-N 1 0 319.489 4.381 20 30 DIEDRO CCCCCCCOc1ccc(C[NH+]2CC(C3COC3)C2)cc1 ZINC001204367918 1049151151 /nfs/dbraw/zinc/15/11/51/1049151151.db2.gz AULGQRFQLZWIOL-UHFFFAOYSA-N 1 0 317.473 4.114 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2C)cc1 ZINC001204366863 1049151324 /nfs/dbraw/zinc/15/13/24/1049151324.db2.gz YNTWKRUPIBHIRA-MJGOQNOKSA-N 1 0 319.489 4.381 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc1 ZINC001204368920 1049152915 /nfs/dbraw/zinc/15/29/15/1049152915.db2.gz JOCNAIQAKZVKRU-MJGOQNOKSA-N 1 0 319.489 4.239 20 30 DIEDRO N#Cc1ccccc1CN1CCc2cc(C(F)(F)F)ccc2C1 ZINC001204373269 1049153380 /nfs/dbraw/zinc/15/33/80/1049153380.db2.gz QDOPVKGIVBUEOH-UHFFFAOYSA-N 1 0 316.326 4.135 20 30 DIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC001204369698 1049153724 /nfs/dbraw/zinc/15/37/24/1049153724.db2.gz ZVBZFFACBIOAMV-FXAWDEMLSA-N 1 0 319.489 4.239 20 30 DIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@]12C[C@H]1CCCC2 ZINC001179348102 1049154654 /nfs/dbraw/zinc/15/46/54/1049154654.db2.gz OOCRZJNWOFDCGP-CDXJDZJCSA-N 1 0 323.484 4.085 20 30 DIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001192930737 1049156243 /nfs/dbraw/zinc/15/62/43/1049156243.db2.gz BSVYICDLQZNVMC-ZWKOTPCHSA-N 1 0 323.525 4.005 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC001204441243 1049162656 /nfs/dbraw/zinc/16/26/56/1049162656.db2.gz HNXOEDCJESYCOO-NRFANRHFSA-N 1 0 323.436 4.043 20 30 DIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC001179438733 1049163879 /nfs/dbraw/zinc/16/38/79/1049163879.db2.gz ZRIPWMKWZZGDLR-ZDUSSCGKSA-N 1 0 305.805 4.017 20 30 DIEDRO CCCCCCCCC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001192976983 1049164071 /nfs/dbraw/zinc/16/40/71/1049164071.db2.gz SSMWSPSBNJLXLW-HNNXBMFYSA-N 1 0 308.432 4.305 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CC(Nc3ccccc3)C2)cc1 ZINC001179520343 1049172230 /nfs/dbraw/zinc/17/22/30/1049172230.db2.gz LQYJVBNVWBOMKN-UHFFFAOYSA-N 1 0 319.452 4.220 20 30 DIEDRO Cc1cc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)ccc1C#N ZINC001204480661 1049172750 /nfs/dbraw/zinc/17/27/50/1049172750.db2.gz VTBUCSKFGRWUGH-DNVCBOLYSA-N 1 0 308.400 4.384 20 30 DIEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCCOc1cccc(C#N)c1 ZINC001193081233 1049174574 /nfs/dbraw/zinc/17/45/74/1049174574.db2.gz NMTARELXARVTGJ-PKOBYXMFSA-N 1 0 300.446 4.276 20 30 DIEDRO C=C1CCC(C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001179542089 1049178828 /nfs/dbraw/zinc/17/88/28/1049178828.db2.gz WJPNQQPKADTVKK-UHFFFAOYSA-N 1 0 311.372 4.133 20 30 DIEDRO Cc1c(F)cccc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001204511333 1049178949 /nfs/dbraw/zinc/17/89/49/1049178949.db2.gz VBFZGOPXGRQAFC-UHFFFAOYSA-N 1 0 324.399 4.049 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC001179575457 1049179778 /nfs/dbraw/zinc/17/97/78/1049179778.db2.gz PYSQHCBDWQFOKH-UHFFFAOYSA-N 1 0 323.198 4.336 20 30 DIEDRO CCCCCCCC[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC001193131656 1049183001 /nfs/dbraw/zinc/18/30/01/1049183001.db2.gz VWFGBLNJOWJFDM-MRXNPFEDSA-N 1 0 309.523 4.182 20 30 DIEDRO Cc1c2ccccc2sc1[C@@H](C)[NH2+]Cc1cc(C#N)ccn1 ZINC001193140893 1049183553 /nfs/dbraw/zinc/18/35/53/1049183553.db2.gz CVTTZLPQSNWQNX-CYBMUJFWSA-N 1 0 307.422 4.327 20 30 DIEDRO CSc1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1C#N ZINC001179584574 1049186045 /nfs/dbraw/zinc/18/60/45/1049186045.db2.gz TUEILQYQHZSTSK-UHFFFAOYSA-N 1 0 307.422 4.051 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Br)cc1F)C(C)(C)C ZINC001204556351 1049189966 /nfs/dbraw/zinc/18/99/66/1049189966.db2.gz ZAZNYPVMJIYESO-UHFFFAOYSA-N 1 0 300.215 4.375 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(N(C)C)cc1 ZINC000775583386 1049190466 /nfs/dbraw/zinc/19/04/66/1049190466.db2.gz UMMHEBIGHSSADR-BTYIYWSLSA-N 1 0 319.452 4.352 20 30 DIEDRO CC(C)c1ncc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)s1 ZINC000905077902 1049191341 /nfs/dbraw/zinc/19/13/41/1049191341.db2.gz ISBQSPGXXAPEES-HJWRWDBZSA-N 1 0 314.454 4.224 20 30 DIEDRO C#CCC1([NH2+]Cc2cccc(Br)c2)CCCCC1 ZINC001179662360 1049193846 /nfs/dbraw/zinc/19/38/46/1049193846.db2.gz JKHRTXZZIJVASJ-UHFFFAOYSA-N 1 0 306.247 4.265 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001179706182 1049196609 /nfs/dbraw/zinc/19/66/09/1049196609.db2.gz LHYXOLWMOAIUPS-FQEVSTJZSA-N 1 0 304.437 4.212 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2nc3ccccc3cc2CC#N)cc1 ZINC001204621311 1049202585 /nfs/dbraw/zinc/20/25/85/1049202585.db2.gz VCKUFWQYLQMPTP-UHFFFAOYSA-N 1 0 301.393 4.029 20 30 DIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCC=CCCC3)CC2)cc1 ZINC001179763464 1049205281 /nfs/dbraw/zinc/20/52/81/1049205281.db2.gz IAUYKRXMSJADBM-IBGZPJMESA-N 1 0 323.484 4.253 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1Cl ZINC001179755849 1049205736 /nfs/dbraw/zinc/20/57/36/1049205736.db2.gz WGRUBHSRECWNEV-KRWDZBQOSA-N 1 0 321.848 4.096 20 30 DIEDRO CC[C@H]1CCC[C@H]1[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001193401323 1049206784 /nfs/dbraw/zinc/20/67/84/1049206784.db2.gz IZWGMZJFBINVHK-GOEBONIOSA-N 1 0 311.347 4.105 20 30 DIEDRO C#CC[N@@H+](Cc1cnc(-c2ccc(C)c(C)c2)s1)CC1CC1 ZINC001204640480 1049208731 /nfs/dbraw/zinc/20/87/31/1049208731.db2.gz LQFTVCAJBGVCQJ-UHFFFAOYSA-N 1 0 310.466 4.272 20 30 DIEDRO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000858130337 1049221267 /nfs/dbraw/zinc/22/12/67/1049221267.db2.gz HVRQJLLXTZYDDU-ZDUSSCGKSA-N 1 0 310.388 4.311 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccc(F)c(F)c1 ZINC001193573924 1049225968 /nfs/dbraw/zinc/22/59/68/1049225968.db2.gz CLKFOAWYOGJNRA-OLMNPRSZSA-N 1 0 307.384 4.129 20 30 DIEDRO COc1ccc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)cc1C#N ZINC001204691175 1049228548 /nfs/dbraw/zinc/22/85/48/1049228548.db2.gz XEJXDZXINWHEMY-UHFFFAOYSA-N 1 0 309.413 4.199 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858239242 1049229882 /nfs/dbraw/zinc/22/98/82/1049229882.db2.gz QYPDUOCBQNNFBL-FOIQADDNSA-N 1 0 321.424 4.003 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2(c3ccc(F)cc3)CC2)cc1 ZINC000777009861 1049231709 /nfs/dbraw/zinc/23/17/09/1049231709.db2.gz YIMBOCJVCFVTMP-OAHLLOKOSA-N 1 0 309.384 4.178 20 30 DIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2n[nH]cc21 ZINC001204698010 1049232930 /nfs/dbraw/zinc/23/29/30/1049232930.db2.gz YZPLWQUPZPWGQY-UHFFFAOYSA-N 1 0 318.424 4.093 20 30 DIEDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)ccc1C#N ZINC001179937721 1049234085 /nfs/dbraw/zinc/23/40/85/1049234085.db2.gz PDEZJLALMDFDRX-LIRRHRJNSA-N 1 0 324.399 4.289 20 30 DIEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC001193649433 1049240733 /nfs/dbraw/zinc/24/07/33/1049240733.db2.gz QDENTOFUOWVQRN-XJKSGUPXSA-N 1 0 321.262 4.379 20 30 DIEDRO CCO[C@H]1C[C@@H]([NH2+]CCCCC2(C#N)CCC2)C1(CC)CC ZINC001193659074 1049242436 /nfs/dbraw/zinc/24/24/36/1049242436.db2.gz BQSIOJDDJDWLAH-SJORKVTESA-N 1 0 306.494 4.424 20 30 DIEDRO C=CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC001179997640 1049246676 /nfs/dbraw/zinc/24/66/76/1049246676.db2.gz REHCMQPIHMZHFX-DHZHZOJOSA-N 1 0 306.453 4.454 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000858379697 1049251199 /nfs/dbraw/zinc/25/11/99/1049251199.db2.gz IWDBEWIRLLBTCR-LLVKDONJSA-N 1 0 318.770 4.078 20 30 DIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC(C)(C)C1 ZINC001204749553 1049251221 /nfs/dbraw/zinc/25/12/21/1049251221.db2.gz ABNKWZOJCAZOMI-IBGZPJMESA-N 1 0 314.473 4.223 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1C ZINC001179966269 1049252004 /nfs/dbraw/zinc/25/20/04/1049252004.db2.gz IAQWGIDMHAIRMM-UHFFFAOYSA-N 1 0 311.425 4.200 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@H+](CC1CC1)C1CCCCC1 ZINC001180046974 1049254705 /nfs/dbraw/zinc/25/47/05/1049254705.db2.gz DOUSLQAZKGFLBH-UHFFFAOYSA-N 1 0 311.473 4.169 20 30 DIEDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000858484651 1049263816 /nfs/dbraw/zinc/26/38/16/1049263816.db2.gz XFENWBIZONEIRS-YWZLYKJASA-N 1 0 321.424 4.176 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccns1 ZINC000858576480 1049278070 /nfs/dbraw/zinc/27/80/70/1049278070.db2.gz KYIPHSFVDWCPRZ-MXWWQKGMSA-N 1 0 311.454 4.198 20 30 DIEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](C)c1ccc(Cl)cc1Cl ZINC001193913529 1049282731 /nfs/dbraw/zinc/28/27/31/1049282731.db2.gz KMVARPSYRXWBCM-ZDUSSCGKSA-N 1 0 315.288 4.494 20 30 DIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ccc(Cl)cc31)CC2 ZINC000858582035 1049283622 /nfs/dbraw/zinc/28/36/22/1049283622.db2.gz LLMLEVXJESFWNS-RTBURBONSA-N 1 0 308.812 4.476 20 30 DIEDRO N#Cc1cccc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)n1 ZINC001180108698 1049287932 /nfs/dbraw/zinc/28/79/32/1049287932.db2.gz WJPSFIHNLHUOJP-UHFFFAOYSA-N 1 0 323.415 4.080 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001193941941 1049295346 /nfs/dbraw/zinc/29/53/46/1049295346.db2.gz JMMBMGOAZFIYAU-OAHLLOKOSA-N 1 0 321.848 4.084 20 30 DIEDRO CCCCCCCOC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001194019430 1049300288 /nfs/dbraw/zinc/30/02/88/1049300288.db2.gz KIGFJSUVTQENSY-UHFFFAOYSA-N 1 0 324.509 4.338 20 30 DIEDRO Cc1cccc(OCC[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC001180157559 1049301741 /nfs/dbraw/zinc/30/17/41/1049301741.db2.gz KXXHVQUBDAAIRC-UHFFFAOYSA-N 1 0 320.436 4.061 20 30 DIEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](Cc1ccccc1)OC ZINC001194052435 1049309240 /nfs/dbraw/zinc/30/92/40/1049309240.db2.gz VDOPKNAXTTVGCD-OAQYLSRUSA-N 1 0 309.453 4.322 20 30 DIEDRO CC[N@H+](Cc1cc(C)ccc1NC)[C@@H](C)c1ccc(C#N)cc1 ZINC001180198471 1049313401 /nfs/dbraw/zinc/31/34/01/1049313401.db2.gz AWDVYALGHLKGTE-INIZCTEOSA-N 1 0 307.441 4.492 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1COC2(CCC(C)CC2)O1 ZINC001204992649 1049332603 /nfs/dbraw/zinc/33/26/03/1049332603.db2.gz JQYBBFVMZNCRFY-CXUOOODFSA-N 1 0 309.494 4.423 20 30 DIEDRO C=CCC1([NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CCOCC1 ZINC000668551828 1049341829 /nfs/dbraw/zinc/34/18/29/1049341829.db2.gz XXMWEABQSPFGAZ-MSOLQXFVSA-N 1 0 314.473 4.131 20 30 DIEDRO C=CCC1([NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CCOCC1 ZINC000668551830 1049346808 /nfs/dbraw/zinc/34/68/08/1049346808.db2.gz XXMWEABQSPFGAZ-ROUUACIJSA-N 1 0 314.473 4.131 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cc(Cl)cc(Br)c1 ZINC001205052543 1049356208 /nfs/dbraw/zinc/35/62/08/1049356208.db2.gz KCRYGHVVHDUUEG-UHFFFAOYSA-N 1 0 300.627 4.277 20 30 DIEDRO Cc1cccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1C ZINC001205060561 1049359704 /nfs/dbraw/zinc/35/97/04/1049359704.db2.gz PJIUZFLRPKQAFB-UHFFFAOYSA-N 1 0 304.437 4.361 20 30 DIEDRO COc1ccc(C[N@H+](CC#Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC001180573966 1049378541 /nfs/dbraw/zinc/37/85/41/1049378541.db2.gz HCPOSWHAFGZPBV-SFHVURJKSA-N 1 0 319.448 4.347 20 30 DIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CC#Cc2ccccc2)c1 ZINC001180834330 1049408708 /nfs/dbraw/zinc/40/87/08/1049408708.db2.gz DQKYQUXOMSAIRS-LAUBAEHRSA-N 1 0 305.421 4.130 20 30 DIEDRO Cc1cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)ccc1F ZINC001205198273 1049409724 /nfs/dbraw/zinc/40/97/24/1049409724.db2.gz KMUYTAGKDWYEGE-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO CC[C@H](C#N)c1ccc(-c2ccc(OCCC[NH+](C)C)nc2)cc1 ZINC001205239162 1049414658 /nfs/dbraw/zinc/41/46/58/1049414658.db2.gz DGEFCRNWHXYURM-MRXNPFEDSA-N 1 0 323.440 4.096 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1F ZINC001205243520 1049416827 /nfs/dbraw/zinc/41/68/27/1049416827.db2.gz HVLWGAAFTUPING-UHFFFAOYSA-N 1 0 308.400 4.385 20 30 DIEDRO CCC1(CC)CCC[N@H+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC001180906344 1049416876 /nfs/dbraw/zinc/41/68/76/1049416876.db2.gz KRVITEFEJCEHAH-UHFFFAOYSA-N 1 0 313.489 4.417 20 30 DIEDRO CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[C@H](C)C1 ZINC001194715565 1049420194 /nfs/dbraw/zinc/42/01/94/1049420194.db2.gz RNALCGHZBJMFOK-VDGAXYAQSA-N 1 0 314.473 4.272 20 30 DIEDRO C#CCCCCCC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC001194754513 1049424600 /nfs/dbraw/zinc/42/46/00/1049424600.db2.gz GULDHXMLBNMDLQ-FQEVSTJZSA-N 1 0 311.469 4.254 20 30 DIEDRO C=CCC[NH+]1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC001194808175 1049431709 /nfs/dbraw/zinc/43/17/09/1049431709.db2.gz XWCPLNPTSRHZMJ-ZIAGYGMSSA-N 1 0 312.379 4.181 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N1CCC([NH+](CC)CC)CC1 ZINC001181121791 1049441450 /nfs/dbraw/zinc/44/14/50/1049441450.db2.gz HVWHPGWFYMQYEJ-QGZVFWFLSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCC[C@H](C)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001181132742 1049444098 /nfs/dbraw/zinc/44/40/98/1049444098.db2.gz HUJUKTQTWZKWPT-KRWDZBQOSA-N 1 0 322.537 4.493 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCc2cccc(Br)c2)C1 ZINC000613254380 1049450968 /nfs/dbraw/zinc/45/09/68/1049450968.db2.gz IDOOKWKIVJPAMG-ZBFHGGJFSA-N 1 0 321.262 4.054 20 30 DIEDRO C=CC[C@@H]1[N@@H+](Cc2cnn(CC3CCC3)c2)CCCC1(C)C ZINC001181297000 1049460967 /nfs/dbraw/zinc/46/09/67/1049460967.db2.gz IPZRQUPJWFNEBW-SFHVURJKSA-N 1 0 301.478 4.250 20 30 DIEDRO COCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)c1ccccc1 ZINC000486726276 1049461518 /nfs/dbraw/zinc/46/15/18/1049461518.db2.gz BFDAXNDSBHTXKK-KRWDZBQOSA-N 1 0 308.425 4.076 20 30 DIEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1Sc1cccc(OC)c1 ZINC001181296927 1049461691 /nfs/dbraw/zinc/46/16/91/1049461691.db2.gz GSWPYUXESNHQJM-OAHLLOKOSA-N 1 0 311.450 4.300 20 30 DIEDRO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000777218675 1049461991 /nfs/dbraw/zinc/46/19/91/1049461991.db2.gz FMDBBVKQGGEAOI-KRWDZBQOSA-N 1 0 320.436 4.153 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775634143 1049470730 /nfs/dbraw/zinc/47/07/30/1049470730.db2.gz RXROAQJGFXTQSH-HNNXBMFYSA-N 1 0 304.393 4.031 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)ccc1C#N ZINC000486795576 1049474729 /nfs/dbraw/zinc/47/47/29/1049474729.db2.gz QIIXUDFDQHTLPK-CYBMUJFWSA-N 1 0 300.352 4.338 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)ccc1F ZINC001205479054 1049481160 /nfs/dbraw/zinc/48/11/60/1049481160.db2.gz QCURCJHDYPUQBD-QGZVFWFLSA-N 1 0 308.400 4.152 20 30 DIEDRO N#Cc1cc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)ccc1F ZINC001205493758 1049486238 /nfs/dbraw/zinc/48/62/38/1049486238.db2.gz OMNJXAZSINUETH-AWEZNQCLSA-N 1 0 314.791 4.340 20 30 DIEDRO COc1cccc([C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001205502296 1049488057 /nfs/dbraw/zinc/48/80/57/1049488057.db2.gz PBYNXTBRFZBRPX-KRWDZBQOSA-N 1 0 324.399 4.086 20 30 DIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(N(C)C)cc1 ZINC000777249194 1049488547 /nfs/dbraw/zinc/48/85/47/1049488547.db2.gz JNYCBAUEJMFSPC-FQEVSTJZSA-N 1 0 319.452 4.354 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000777251472 1049489023 /nfs/dbraw/zinc/48/90/23/1049489023.db2.gz YGYDTHTZMQGDIB-HNNXBMFYSA-N 1 0 306.409 4.297 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001195232568 1049493203 /nfs/dbraw/zinc/49/32/03/1049493203.db2.gz FHHOWTLFSAWTGL-SFHVURJKSA-N 1 0 321.505 4.404 20 30 DIEDRO C#C[C@@H](C)[NH2+]Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001181646227 1049496492 /nfs/dbraw/zinc/49/64/92/1049496492.db2.gz KQQMJQDVFGYNPI-LLVKDONJSA-N 1 0 305.299 4.008 20 30 DIEDRO CC(C)CCCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001205555464 1049497815 /nfs/dbraw/zinc/49/78/15/1049497815.db2.gz SHJCUEOLGSVBEV-UHFFFAOYSA-N 1 0 319.880 4.160 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C2CC(C)(c3ccccc3)C2)cc1 ZINC001181689206 1049498533 /nfs/dbraw/zinc/49/85/33/1049498533.db2.gz WPYUVGLQAQCRDO-UHFFFAOYSA-N 1 0 307.437 4.461 20 30 DIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2F)s1 ZINC001205583787 1049502377 /nfs/dbraw/zinc/50/23/77/1049502377.db2.gz VBOYWADHNOJGGS-CYBMUJFWSA-N 1 0 302.418 4.490 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC001205583780 1049502739 /nfs/dbraw/zinc/50/27/39/1049502739.db2.gz UWHFRAXKOGBADE-AWEZNQCLSA-N 1 0 310.235 4.004 20 30 DIEDRO N#CC1CCC(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC001195259443 1049504985 /nfs/dbraw/zinc/50/49/85/1049504985.db2.gz XWAMFQUXGZOHBI-JTTJXQCZSA-N 1 0 318.411 4.302 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC001205606319 1049508316 /nfs/dbraw/zinc/50/83/16/1049508316.db2.gz QTRHMROWFOOIDF-UHFFFAOYSA-N 1 0 315.420 4.419 20 30 DIEDRO C=CCCCC[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001195423747 1049529809 /nfs/dbraw/zinc/52/98/09/1049529809.db2.gz FRTCFHOAJZQBRT-OAGGEKHMSA-N 1 0 310.482 4.061 20 30 DIEDRO C=CCCCC[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001195423751 1049530685 /nfs/dbraw/zinc/53/06/85/1049530685.db2.gz FRTCFHOAJZQBRT-PMPSAXMXSA-N 1 0 310.482 4.061 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000119260222 1049530811 /nfs/dbraw/zinc/53/08/11/1049530811.db2.gz CMKDTEWXYLDCRO-HOCLYGCPSA-N 1 0 323.864 4.426 20 30 DIEDRO CC(C)[C@H](C=[NH+]n1cnnc1-c1ccccc1)c1ccccc1 ZINC000794489128 1049533977 /nfs/dbraw/zinc/53/39/77/1049533977.db2.gz WPJOKIPHWJMZLO-SFHVURJKSA-N 1 0 304.397 4.219 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)cc1 ZINC001181879809 1049537837 /nfs/dbraw/zinc/53/78/37/1049537837.db2.gz JKKCVNKADXYIMS-WOJBJXKFSA-N 1 0 304.437 4.187 20 30 DIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001181901877 1049542156 /nfs/dbraw/zinc/54/21/56/1049542156.db2.gz WRQVJTOAWRTCBK-WQVCFCJDSA-N 1 0 313.363 4.132 20 30 DIEDRO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000119378353 1049552770 /nfs/dbraw/zinc/55/27/70/1049552770.db2.gz JTAXCEGLBUIJIL-QGZVFWFLSA-N 1 0 307.441 4.229 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc3cnccc3o2)cc1 ZINC001205753085 1049555300 /nfs/dbraw/zinc/55/53/00/1049555300.db2.gz SAXBRDNNGWMAOO-AWEZNQCLSA-N 1 0 308.381 4.243 20 30 DIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000487561228 1049557806 /nfs/dbraw/zinc/55/78/06/1049557806.db2.gz OIJHOPCEHOEWSS-MRXNPFEDSA-N 1 0 308.450 4.068 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cccn1C(F)F)c1ccccc1 ZINC001182043320 1049563336 /nfs/dbraw/zinc/56/33/36/1049563336.db2.gz ITYXBEJDJPPKFY-INIZCTEOSA-N 1 0 303.356 4.408 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001182020185 1049564668 /nfs/dbraw/zinc/56/46/68/1049564668.db2.gz HXPSPCDVOVNBPM-NVXWUHKLSA-N 1 0 316.445 4.498 20 30 DIEDRO CC1(C)C[C@@H](Nc2cccc(CC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001205849764 1049582236 /nfs/dbraw/zinc/58/22/36/1049582236.db2.gz UHXSCNUYJAPPGX-HXUWFJFHSA-N 1 0 319.452 4.218 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001195947029 1049598061 /nfs/dbraw/zinc/59/80/61/1049598061.db2.gz PSRZAEVNUDZSAF-CJNGLKHVSA-N 1 0 313.363 4.027 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC001195947178 1049599305 /nfs/dbraw/zinc/59/93/05/1049599305.db2.gz RBXXWFIGJXSFIL-HOTGVXAUSA-N 1 0 311.429 4.394 20 30 DIEDRO Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000119692736 1049601478 /nfs/dbraw/zinc/60/14/78/1049601478.db2.gz ASBOPXPLMNCVOM-IRXDYDNUSA-N 1 0 308.425 4.179 20 30 DIEDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC001182261777 1049601908 /nfs/dbraw/zinc/60/19/08/1049601908.db2.gz NVPLMJJTJNLOIL-RTRPANQVSA-N 1 0 314.473 4.492 20 30 DIEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OCC#N)[C@@H](C)C1 ZINC000775682842 1049602139 /nfs/dbraw/zinc/60/21/39/1049602139.db2.gz MPYZFDWWQXWGRJ-WWGRRREGSA-N 1 0 306.837 4.157 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000488131780 1049603780 /nfs/dbraw/zinc/60/37/80/1049603780.db2.gz YLCRFGMUYJRCNJ-INIZCTEOSA-N 1 0 300.446 4.210 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1ccccc1F)c1ccc(C#N)cc1 ZINC000774122338 1049603899 /nfs/dbraw/zinc/60/38/99/1049603899.db2.gz JCYMDCMCDRNJCK-GOSISDBHSA-N 1 0 312.388 4.207 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC001196056150 1049606031 /nfs/dbraw/zinc/60/60/31/1049606031.db2.gz JFYHLWCKOXTUOB-DZGCQCFKSA-N 1 0 323.383 4.275 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC001205980525 1049616498 /nfs/dbraw/zinc/61/64/98/1049616498.db2.gz NMRNRBFRIGZVEY-CYBMUJFWSA-N 1 0 308.853 4.249 20 30 DIEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1coc2ccccc12)c1ccc(F)cc1 ZINC001205974820 1049616874 /nfs/dbraw/zinc/61/68/74/1049616874.db2.gz SZPAFZJFGHWKAL-IFXJQAMLSA-N 1 0 307.368 4.467 20 30 DIEDRO C#C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccc(F)cc1 ZINC001205974873 1049616997 /nfs/dbraw/zinc/61/69/97/1049616997.db2.gz VVHAOUYQDDSHRO-YESZJQIVSA-N 1 0 303.421 4.072 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2cccc3ccccc32)CCCC1 ZINC001196150326 1049619418 /nfs/dbraw/zinc/61/94/18/1049619418.db2.gz UKOSGKYEIGJYNQ-UHFFFAOYSA-N 1 0 308.425 4.257 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(Br)n1)C1CCCCC1 ZINC001205989623 1049621973 /nfs/dbraw/zinc/62/19/73/1049621973.db2.gz ONLIEEVVJLDODF-UHFFFAOYSA-N 1 0 309.251 4.165 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC001182325696 1049626160 /nfs/dbraw/zinc/62/61/60/1049626160.db2.gz CGYIWWQOODRLLV-YLJYHZDGSA-N 1 0 309.453 4.490 20 30 DIEDRO C=CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)C(C)(C)C ZINC001196198593 1049628150 /nfs/dbraw/zinc/62/81/50/1049628150.db2.gz OEXQROXGYBFBGF-UHFFFAOYSA-N 1 0 310.441 4.455 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000488298960 1049632223 /nfs/dbraw/zinc/63/22/23/1049632223.db2.gz RGUHJYOKYVWXQE-ZDUSSCGKSA-N 1 0 303.381 4.273 20 30 DIEDRO CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(C#N)c(OC)c3)C2)cc1 ZINC001206023468 1049632685 /nfs/dbraw/zinc/63/26/85/1049632685.db2.gz QAFUJFNCTPJBTB-HXUWFJFHSA-N 1 0 320.436 4.119 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000774246335 1049634950 /nfs/dbraw/zinc/63/49/50/1049634950.db2.gz YJJCXTOAMSAXQU-CRAIPNDOSA-N 1 0 310.397 4.128 20 30 DIEDRO C#CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000774265247 1049639670 /nfs/dbraw/zinc/63/96/70/1049639670.db2.gz JLMRMMVRWHVBDO-PMACEKPBSA-N 1 0 320.392 4.326 20 30 DIEDRO CC(C)[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H](O)c1ccccc1 ZINC000794601938 1049648001 /nfs/dbraw/zinc/64/80/01/1049648001.db2.gz VFQQWECECWCINV-ROUUACIJSA-N 1 0 302.462 4.054 20 30 DIEDRO CC[N@H+](Cc1cccs1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000119992944 1049649860 /nfs/dbraw/zinc/64/98/60/1049649860.db2.gz AAUWCTGEWRYKNC-CQSZACIVSA-N 1 0 300.427 4.061 20 30 DIEDRO C=C(C[NH+]1CCCC1)c1nc(-c2ccc(F)c3ccccc23)no1 ZINC001206094852 1049651781 /nfs/dbraw/zinc/65/17/81/1049651781.db2.gz XWKVHOSHFGHLDB-UHFFFAOYSA-N 1 0 323.371 4.138 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cn(C(C)C)nc21)c1ccc(C#N)cc1 ZINC000774352184 1049656615 /nfs/dbraw/zinc/65/66/15/1049656615.db2.gz ZWFHPIVSAICETC-RBUKOAKNSA-N 1 0 322.456 4.454 20 30 DIEDRO CC(C)[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000794693893 1049670335 /nfs/dbraw/zinc/67/03/35/1049670335.db2.gz WXSRAEJAJGHLPB-UZLBHIALSA-N 1 0 308.425 4.063 20 30 DIEDRO C#CCCCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000774467105 1049670951 /nfs/dbraw/zinc/67/09/51/1049670951.db2.gz YRUCUQUQANZQNF-INIZCTEOSA-N 1 0 306.247 4.293 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2CC)cc1 ZINC000774477119 1049672811 /nfs/dbraw/zinc/67/28/11/1049672811.db2.gz KFSHORCAUJAIEH-HOTGVXAUSA-N 1 0 308.425 4.068 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2CC)cc1 ZINC000774477115 1049673033 /nfs/dbraw/zinc/67/30/33/1049673033.db2.gz KFSHORCAUJAIEH-CVEARBPZSA-N 1 0 308.425 4.068 20 30 DIEDRO Cc1ccccc1[C@@H](C)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC001196595724 1049673250 /nfs/dbraw/zinc/67/32/50/1049673250.db2.gz VZUWXWGUDIUGTK-QGZVFWFLSA-N 1 0 308.425 4.329 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000774513799 1049686306 /nfs/dbraw/zinc/68/63/06/1049686306.db2.gz UMDSIUYLRIQFIH-OWCLPIDISA-N 1 0 310.482 4.109 20 30 DIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)CC(=O)N3)cc1 ZINC001206235772 1049686639 /nfs/dbraw/zinc/68/66/39/1049686639.db2.gz JOEXSFNRGXHCRB-HXUWFJFHSA-N 1 0 318.420 4.171 20 30 DIEDRO C=C[C@@H]1CCCCN1C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000488859190 1049705281 /nfs/dbraw/zinc/70/52/81/1049705281.db2.gz DSJNPSNFXLLYQN-LJQANCHMSA-N 1 0 314.473 4.098 20 30 DIEDRO C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC001206328277 1049713386 /nfs/dbraw/zinc/71/33/86/1049713386.db2.gz IPHKBFDJPFGNIS-CWIOURORSA-N 1 0 312.457 4.246 20 30 DIEDRO C#Cc1ccc(C[N@H+]2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001182765192 1049713542 /nfs/dbraw/zinc/71/35/42/1049713542.db2.gz RHEPLGYAUOCPFA-FQEVSTJZSA-N 1 0 307.412 4.404 20 30 DIEDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000489033102 1049720560 /nfs/dbraw/zinc/72/05/60/1049720560.db2.gz ACYDQKHKZYYPRG-OAQYLSRUSA-N 1 0 322.452 4.030 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001206372135 1049722320 /nfs/dbraw/zinc/72/23/20/1049722320.db2.gz XDSMOTXQAAGCJH-QBPKDAKJSA-N 1 0 322.493 4.157 20 30 DIEDRO C=C(Br)CN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000775765453 1049731974 /nfs/dbraw/zinc/73/19/74/1049731974.db2.gz KZDGCLGPXSTVOR-HNNXBMFYSA-N 1 0 323.278 4.326 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1(C#N)CCCC1 ZINC001206517026 1049748248 /nfs/dbraw/zinc/74/82/48/1049748248.db2.gz KKHPREGUKNEUDY-CYBMUJFWSA-N 1 0 321.262 4.054 20 30 DIEDRO C#CCCCC[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000150732796 1049751499 /nfs/dbraw/zinc/75/14/99/1049751499.db2.gz GHMVANPIAOZDSL-UHFFFAOYSA-N 1 0 322.452 4.171 20 30 DIEDRO N#Cc1c(Nc2cc[nH+]c(N)c2)sc2cc(Cl)ccc12 ZINC001206528714 1049752056 /nfs/dbraw/zinc/75/20/56/1049752056.db2.gz LQFPFKOFLLYFKS-UHFFFAOYSA-N 1 0 300.774 4.147 20 30 DIEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000489466860 1049760024 /nfs/dbraw/zinc/76/00/24/1049760024.db2.gz ZRGOMLCXCNONPA-HXUWFJFHSA-N 1 0 320.436 4.479 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000489644434 1049772688 /nfs/dbraw/zinc/77/26/88/1049772688.db2.gz AZFRUHFHHNHMFK-FQEVSTJZSA-N 1 0 308.400 4.295 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001206697587 1049781317 /nfs/dbraw/zinc/78/13/17/1049781317.db2.gz YRWUWXBOPLUIFA-HRCADAONSA-N 1 0 310.482 4.109 20 30 DIEDRO Cc1ccccc1CC1C[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001206735061 1049786007 /nfs/dbraw/zinc/78/60/07/1049786007.db2.gz SJVVLGHSJRIJCV-UHFFFAOYSA-N 1 0 304.437 4.158 20 30 DIEDRO C=CC[N@@H+](CCc1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000490067466 1049798735 /nfs/dbraw/zinc/79/87/35/1049798735.db2.gz XPZSFDATMGTLNV-UHFFFAOYSA-N 1 0 312.363 4.067 20 30 DIEDRO CC[C@]1(C)CCC[C@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC001207036327 1049822727 /nfs/dbraw/zinc/82/27/27/1049822727.db2.gz XIEHNUJXSAHMPI-WOJBJXKFSA-N 1 0 311.473 4.085 20 30 DIEDRO Cn1cc(C[NH+]2CCC(CCCc3ccccc3)CC2)cc1C#N ZINC001207103620 1049838401 /nfs/dbraw/zinc/83/84/01/1049838401.db2.gz YTNOMXISFPPBMQ-UHFFFAOYSA-N 1 0 321.468 4.132 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OC(F)F)cc1 ZINC000151235851 1049858164 /nfs/dbraw/zinc/85/81/64/1049858164.db2.gz VREMCAXNIBDIRP-HNNXBMFYSA-N 1 0 322.380 4.462 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001207411165 1049888645 /nfs/dbraw/zinc/88/86/45/1049888645.db2.gz GHUIVJIFFCQRPF-OALUTQOASA-N 1 0 318.505 4.280 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@H](C[NH+]2CCC(CC#N)CC2)CC1 ZINC001207408607 1049888800 /nfs/dbraw/zinc/88/88/00/1049888800.db2.gz ZMZONCMBJKYSSE-IBGZPJMESA-N 1 0 318.505 4.280 20 30 DIEDRO CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001207411167 1049889294 /nfs/dbraw/zinc/88/92/94/1049889294.db2.gz GHUIVJIFFCQRPF-RTBURBONSA-N 1 0 318.505 4.280 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 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JDMZIHSQBSKLRY-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001209423391 1050057570 /nfs/dbraw/zinc/05/75/70/1050057570.db2.gz NWNACIVREMZXAP-IAGOWNOFSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001209423169 1050057983 /nfs/dbraw/zinc/05/79/83/1050057983.db2.gz HMKUKMOTMQIMSH-UHFFFAOYSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2Cc1ccc(C)o1 ZINC001209435339 1050058415 /nfs/dbraw/zinc/05/84/15/1050058415.db2.gz HZZZYHBZXGTMSI-UXHICEINSA-N 1 0 316.489 4.373 20 30 DIEDRO C=CCCCCCCC[NH+]1CCN(CCc2cccs2)CC1 ZINC001209439418 1050059003 /nfs/dbraw/zinc/05/90/03/1050059003.db2.gz OQZHRKQNTHUHCY-UHFFFAOYSA-N 1 0 320.546 4.435 20 30 DIEDRO C=CCCCCCCC[N@H+]1CCC[C@@H](c2nc(CC)no2)C1 ZINC001209440776 1050059047 /nfs/dbraw/zinc/05/90/47/1050059047.db2.gz CZOLTCDYMHIYOG-MRXNPFEDSA-N 1 0 305.466 4.338 20 30 DIEDRO C=CCCCCCCC[N@@H+]1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001209437966 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C=CCCCCCC[N@@H+]1CCC[C@]2(CCC(=O)N2CC=C)CC1 ZINC001209437055 1050059544 /nfs/dbraw/zinc/05/95/44/1050059544.db2.gz FHZKWYFYUHXOAQ-FQEVSTJZSA-N 1 0 318.505 4.156 20 30 DIEDRO C=CCCCCCC[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001209440435 1050059614 /nfs/dbraw/zinc/05/96/14/1050059614.db2.gz KJBJEANXHPUBPD-IBGZPJMESA-N 1 0 324.509 4.360 20 30 DIEDRO C=CCCCCCC[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001209435727 1050059636 /nfs/dbraw/zinc/05/96/36/1050059636.db2.gz ILURTTAWSOKLCO-UHFFFAOYSA-N 1 0 305.437 4.246 20 30 DIEDRO C=CCCCCCCCC[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001209445629 1050060551 /nfs/dbraw/zinc/06/05/51/1050060551.db2.gz LRTPOEDOVLWJLU-INIZCTEOSA-N 1 0 301.421 4.403 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC001209442074 1050060668 /nfs/dbraw/zinc/06/06/68/1050060668.db2.gz SLCGUFCVUNHKIX-FQEVSTJZSA-N 1 0 312.457 4.109 20 30 DIEDRO C=CCCCCCCC[N@@H+]1CCC[C@]2(CCC(=O)N2C)[C@@H]1CC ZINC001209442592 1050060724 /nfs/dbraw/zinc/06/07/24/1050060724.db2.gz YHCCZQUICDZXJU-ICSRJNTNSA-N 1 0 320.521 4.378 20 30 DIEDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001209520043 1050066471 /nfs/dbraw/zinc/06/64/71/1050066471.db2.gz LXBUAYQAZQHUTA-SFHVURJKSA-N 1 0 307.441 4.220 20 30 DIEDRO C=CC[N@@H+](CCCCCn1cccn1)Cc1ccc(Cl)s1 ZINC000590000607 1050069821 /nfs/dbraw/zinc/06/98/21/1050069821.db2.gz VMTYVFQDIQIXQL-UHFFFAOYSA-N 1 0 323.893 4.457 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1 ZINC000590068583 1050076854 /nfs/dbraw/zinc/07/68/54/1050076854.db2.gz BSMNRNHINKEHKF-OAHLLOKOSA-N 1 0 311.454 4.157 20 30 DIEDRO Cn1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)c2ccccc21 ZINC000590068681 1050076864 /nfs/dbraw/zinc/07/68/64/1050076864.db2.gz ODNNQUAJSDNRJK-GOSISDBHSA-N 1 0 318.424 4.098 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccccc1 ZINC000590257856 1050083558 /nfs/dbraw/zinc/08/35/58/1050083558.db2.gz LPVKEWOOIUTQAN-RBUKOAKNSA-N 1 0 305.425 4.484 20 30 DIEDRO N#CCCC[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ccccc1 ZINC000590257854 1050083667 /nfs/dbraw/zinc/08/36/67/1050083667.db2.gz LPVKEWOOIUTQAN-OALUTQOASA-N 1 0 305.425 4.484 20 30 DIEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccccc1 ZINC000590257857 1050083825 /nfs/dbraw/zinc/08/38/25/1050083825.db2.gz LPVKEWOOIUTQAN-RTBURBONSA-N 1 0 305.425 4.484 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2nc(Cl)ccc2C#N)cc1 ZINC001209821792 1050089077 /nfs/dbraw/zinc/08/90/77/1050089077.db2.gz AUXXTILVWDGVQC-UHFFFAOYSA-N 1 0 314.820 4.192 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2c(C#N)cccc2C#N)cc1 ZINC001209823793 1050089823 /nfs/dbraw/zinc/08/98/23/1050089823.db2.gz LHMLTMQSYHRBGH-UHFFFAOYSA-N 1 0 304.397 4.015 20 30 DIEDRO C#CCOc1ccc(Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC001209824807 1050089848 /nfs/dbraw/zinc/08/98/48/1050089848.db2.gz RQSVAPYBERUHPP-UHFFFAOYSA-N 1 0 308.425 4.284 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2ccc(C#N)c(C#N)c2)cc1 ZINC001209823803 1050090103 /nfs/dbraw/zinc/09/01/03/1050090103.db2.gz LODMWFDDCZJJFO-UHFFFAOYSA-N 1 0 304.397 4.015 20 30 DIEDRO CC[NH+](CC)Cc1ccc(Nc2c(C)cc(C#N)cc2C#N)cc1 ZINC001209823788 1050090160 /nfs/dbraw/zinc/09/01/60/1050090160.db2.gz LCQYDSVBYUVIMU-UHFFFAOYSA-N 1 0 318.424 4.324 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCSc2ccc(Cl)cc2)c1 ZINC000057601261 1050101306 /nfs/dbraw/zinc/10/13/06/1050101306.db2.gz VZDQNJFKZRZXDG-UHFFFAOYSA-N 1 0 302.830 4.094 20 30 DIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C2CC2)cc1 ZINC000057601333 1050101364 /nfs/dbraw/zinc/10/13/64/1050101364.db2.gz LOWCGCCGPSDJMO-INIZCTEOSA-N 1 0 320.436 4.368 20 30 DIEDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000590647760 1050101455 /nfs/dbraw/zinc/10/14/55/1050101455.db2.gz PMSUBSGFVFDRNE-UXHICEINSA-N 1 0 320.436 4.272 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(OC3CCCC3)CC2)c(F)c1 ZINC000590645607 1050101829 /nfs/dbraw/zinc/10/18/29/1050101829.db2.gz KPLNQXMXNBNXLE-UHFFFAOYSA-N 1 0 316.420 4.057 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000590763891 1050105021 /nfs/dbraw/zinc/10/50/21/1050105021.db2.gz NFYIPCCEUMMTEA-IBGZPJMESA-N 1 0 314.498 4.207 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCCC1(F)F ZINC000590778823 1050106536 /nfs/dbraw/zinc/10/65/36/1050106536.db2.gz AJJQLKSNQWOBRO-WBVHZDCISA-N 1 0 304.384 4.351 20 30 DIEDRO N#CC1(CC[N@@H+]2CCCO[C@H](c3ccccc3)C2)CCCCC1 ZINC000591013275 1050119050 /nfs/dbraw/zinc/11/90/50/1050119050.db2.gz QXNDESQYKGJEJE-IBGZPJMESA-N 1 0 312.457 4.314 20 30 DIEDRO C[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000591051054 1050120853 /nfs/dbraw/zinc/12/08/53/1050120853.db2.gz RICUNFMOMYPBHD-WOJBJXKFSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1C[C@H]1c1cccs1 ZINC000591347911 1050141319 /nfs/dbraw/zinc/14/13/19/1050141319.db2.gz BHSOPSOPUYVXBH-TUKIKUTGSA-N 1 0 300.402 4.041 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)c1cccc(OC)c1 ZINC000045806481 1050155254 /nfs/dbraw/zinc/15/52/54/1050155254.db2.gz UXRCFIARNRKECP-AWEZNQCLSA-N 1 0 312.388 4.289 20 30 DIEDRO Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc2cccnc12 ZINC000573272217 1050156195 /nfs/dbraw/zinc/15/61/95/1050156195.db2.gz UKJNMICJVQHCAL-UHFFFAOYSA-N 1 0 313.404 4.194 20 30 DIEDRO CCc1ccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)s1 ZINC000733800549 1050156684 /nfs/dbraw/zinc/15/66/84/1050156684.db2.gz YYBJNSZBBANKLQ-HNNXBMFYSA-N 1 0 314.454 4.281 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000733800403 1050156695 /nfs/dbraw/zinc/15/66/95/1050156695.db2.gz PKOBIZCKWZXCNU-OGWOLHLISA-N 1 0 324.424 4.374 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1F ZINC000823842894 1050159120 /nfs/dbraw/zinc/15/91/20/1050159120.db2.gz SZOXMPLUOMJXKH-UHFFFAOYSA-N 1 0 317.452 4.234 20 30 DIEDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000282557827 1050161058 /nfs/dbraw/zinc/16/10/58/1050161058.db2.gz YASANMMSXZBNDN-CQSZACIVSA-N 1 0 324.428 4.009 20 30 DIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](CC)C2CCC2)ccc1OC ZINC000823848305 1050161435 /nfs/dbraw/zinc/16/14/35/1050161435.db2.gz RXXFODJCXFZQBV-SJORKVTESA-N 1 0 316.445 4.044 20 30 DIEDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000823904946 1050162586 /nfs/dbraw/zinc/16/25/86/1050162586.db2.gz PHUPUCZLVSZLQN-MLGOLLRUSA-N 1 0 314.479 4.128 20 30 DIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000823876983 1050164346 /nfs/dbraw/zinc/16/43/46/1050164346.db2.gz UUQCZINEPSCDNP-GPJFCIFZSA-N 1 0 312.457 4.216 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+]C2CCC(OC3CCCC3)CC2)c1 ZINC000823949894 1050166672 /nfs/dbraw/zinc/16/66/72/1050166672.db2.gz XZQQGDCENWUREW-UHFFFAOYSA-N 1 0 316.420 4.057 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC12CCSCC2 ZINC000591532463 1050168095 /nfs/dbraw/zinc/16/80/95/1050168095.db2.gz UGGAVCPTHBVLOA-AEFFLSMTSA-N 1 0 312.482 4.059 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(C#N)cc1F ZINC000157410620 1050172397 /nfs/dbraw/zinc/17/23/97/1050172397.db2.gz UJSPBEDQPUWRKP-ZBEGNZNMSA-N 1 0 300.402 4.487 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000591578400 1050176316 /nfs/dbraw/zinc/17/63/16/1050176316.db2.gz YWJWKMWTUTZRHV-NHCUHLMSSA-N 1 0 317.436 4.185 20 30 DIEDRO C=CC[N@@H+](CCCCn1ccnc1C)Cc1ccc(Cl)s1 ZINC000348080277 1050176429 /nfs/dbraw/zinc/17/64/29/1050176429.db2.gz WJNBPWHNFAXRIY-UHFFFAOYSA-N 1 0 323.893 4.375 20 30 DIEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)nc1 ZINC000824231355 1050193528 /nfs/dbraw/zinc/19/35/28/1050193528.db2.gz MXEJSMRYVCSAQB-WBVHZDCISA-N 1 0 311.816 4.033 20 30 DIEDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000734001650 1050213028 /nfs/dbraw/zinc/21/30/28/1050213028.db2.gz FZQZXRMNZQQUFI-FQEVSTJZSA-N 1 0 306.409 4.098 20 30 DIEDRO N#CCCN(Cc1cn2ccccc2n1)C1CCCCCCC1 ZINC001136879647 1050216196 /nfs/dbraw/zinc/21/61/96/1050216196.db2.gz MWUZHTMEZCOAPX-UHFFFAOYSA-N 1 0 310.445 4.163 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000591839116 1050224839 /nfs/dbraw/zinc/22/48/39/1050224839.db2.gz MKLRGOPGBXHZRH-QAPCUYQASA-N 1 0 306.409 4.117 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(OCCCC)cc1 ZINC000734159788 1050231506 /nfs/dbraw/zinc/23/15/06/1050231506.db2.gz YFTSLILJDJGDAO-UHFFFAOYSA-N 1 0 323.436 4.167 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2nc3ccccc3s2)cc1 ZINC000734163228 1050235667 /nfs/dbraw/zinc/23/56/67/1050235667.db2.gz CNRWXVCBEPGFBJ-CQSZACIVSA-N 1 0 322.433 4.159 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592072018 1050269850 /nfs/dbraw/zinc/26/98/50/1050269850.db2.gz FAUZSBJYXJRBAV-PMACEKPBSA-N 1 0 305.425 4.030 20 30 DIEDRO Cc1ccc(C#N)cc1Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001210501839 1050272280 /nfs/dbraw/zinc/27/22/80/1050272280.db2.gz WKNIUUUQFCHCAN-UHFFFAOYSA-N 1 0 321.424 4.085 20 30 DIEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2ccncc2C#N)C1 ZINC000592121555 1050272166 /nfs/dbraw/zinc/27/21/66/1050272166.db2.gz STVKWIVAOLAVKD-LJQANCHMSA-N 1 0 305.425 4.147 20 30 DIEDRO CC(C)Cn1nccc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000592368129 1050288757 /nfs/dbraw/zinc/28/87/57/1050288757.db2.gz RYNQASOLOVWIOF-IBGZPJMESA-N 1 0 310.445 4.064 20 30 DIEDRO N#Cc1csc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)c1 ZINC000592376973 1050289798 /nfs/dbraw/zinc/28/97/98/1050289798.db2.gz IIWPAJIHMNMBLW-UHFFFAOYSA-N 1 0 302.830 4.442 20 30 DIEDRO COc1ccccc1C1([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000592393417 1050291161 /nfs/dbraw/zinc/29/11/61/1050291161.db2.gz HWXQNINYQNVXBM-LJQANCHMSA-N 1 0 318.420 4.223 20 30 DIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(COc3cccc(F)c3)cc2)C1 ZINC000592394527 1050291797 /nfs/dbraw/zinc/29/17/97/1050291797.db2.gz PFDJQYWAXARRBA-HKUYNNGSSA-N 1 0 324.399 4.187 20 30 DIEDRO C[C@H]([NH2+]CC[C@H]1CSc2ccccc2O1)c1ccc(C#N)cc1 ZINC000592392556 1050292446 /nfs/dbraw/zinc/29/24/46/1050292446.db2.gz KUGLUBLWFNPURY-YOEHRIQHSA-N 1 0 324.449 4.152 20 30 DIEDRO Cc1ccc(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1C ZINC000825299511 1050292787 /nfs/dbraw/zinc/29/27/87/1050292787.db2.gz MJYLZTWCPJRTPL-KRWDZBQOSA-N 1 0 308.425 4.226 20 30 DIEDRO Cc1ccc(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1C ZINC000825299517 1050293750 /nfs/dbraw/zinc/29/37/50/1050293750.db2.gz MJYLZTWCPJRTPL-QGZVFWFLSA-N 1 0 308.425 4.226 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1csc(C)c1 ZINC000592379620 1050296177 /nfs/dbraw/zinc/29/61/77/1050296177.db2.gz MKYSIRRAKGIGFL-INIZCTEOSA-N 1 0 300.427 4.178 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc2n(n1)CCCC2 ZINC000592389803 1050296530 /nfs/dbraw/zinc/29/65/30/1050296530.db2.gz RBTYAPOBTKPREG-LPHOPBHVSA-N 1 0 322.456 4.305 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171084458 1050297610 /nfs/dbraw/zinc/29/76/10/1050297610.db2.gz ZAEMRAKLDLGZQD-WFASDCNBSA-N 1 0 323.267 4.476 20 30 DIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(CC#N)cc1 ZINC000592391465 1050297990 /nfs/dbraw/zinc/29/79/90/1050297990.db2.gz WBFAMOZWBQUGQR-FQEVSTJZSA-N 1 0 320.436 4.273 20 30 DIEDRO Cc1ccc(Nc2ccc(OCC[NH+]3CCCC3)cc2)c(C#N)c1 ZINC001210566690 1050297901 /nfs/dbraw/zinc/29/79/01/1050297901.db2.gz OYLPVSKLMRJXQR-UHFFFAOYSA-N 1 0 321.424 4.085 20 30 DIEDRO Cc1cc(O)c(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1Cl ZINC000825376022 1050301352 /nfs/dbraw/zinc/30/13/52/1050301352.db2.gz UUEYWSHPOZNXHD-KRWDZBQOSA-N 1 0 314.816 4.489 20 30 DIEDRO CCCC[N@H+](CC(C)(C)CCC#N)[C@H]1CCc2ncsc2C1 ZINC000592527505 1050316849 /nfs/dbraw/zinc/31/68/49/1050316849.db2.gz BJULDBFBGCOCNC-HNNXBMFYSA-N 1 0 319.518 4.432 20 30 DIEDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000734836229 1050323538 /nfs/dbraw/zinc/32/35/38/1050323538.db2.gz CTKMZPDUZISVDU-KRWDZBQOSA-N 1 0 300.446 4.237 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@]2(C)CCCc3ccccc32)cc1 ZINC000734844484 1050324532 /nfs/dbraw/zinc/32/45/32/1050324532.db2.gz ZCJULOXYHZGCBR-IERDGZPVSA-N 1 0 320.436 4.319 20 30 DIEDRO N#Cc1c2c(sc1N=C1CCC([NH+]3CCCC3)CC1)CCC2 ZINC001210704099 1050340789 /nfs/dbraw/zinc/34/07/89/1050340789.db2.gz FRYUPXZEGDBDQW-AWEZNQCLSA-N 1 0 313.470 4.053 20 30 DIEDRO N#Cc1ccc(Cl)c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001210715552 1050346798 /nfs/dbraw/zinc/34/67/98/1050346798.db2.gz WEGZLDYOXGFVTE-HNNXBMFYSA-N 1 0 301.821 4.156 20 30 DIEDRO N#Cc1cccc(Cl)c1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210714905 1050346860 /nfs/dbraw/zinc/34/68/60/1050346860.db2.gz RFQGVBFUHPXBSD-OAHLLOKOSA-N 1 0 301.821 4.156 20 30 DIEDRO CC(C)Oc1ccc(CC#N)cc1-c1cccc(C[NH+](C)C)c1 ZINC000592986757 1050360555 /nfs/dbraw/zinc/36/05/55/1050360555.db2.gz KLWPOTXRPRBDEJ-UHFFFAOYSA-N 1 0 308.425 4.268 20 30 DIEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CCCCCC1 ZINC000735306433 1050365310 /nfs/dbraw/zinc/36/53/10/1050365310.db2.gz NJWCHJPZFMFFFE-UHFFFAOYSA-N 1 0 306.837 4.397 20 30 DIEDRO Cc1ccccc1C[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735305729 1050368285 /nfs/dbraw/zinc/36/82/85/1050368285.db2.gz DANXAOIYKINSOH-UHFFFAOYSA-N 1 0 314.816 4.183 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001143810236 1050370796 /nfs/dbraw/zinc/37/07/96/1050370796.db2.gz NTOMXMAEGBFDMJ-NSHDSACASA-N 1 0 301.739 4.204 20 30 DIEDRO N#CCOc1ccc(Cl)cc1C[NH2+]C1(c2ccccc2)CC1 ZINC000735309261 1050372325 /nfs/dbraw/zinc/37/23/25/1050372325.db2.gz KBKIVYBWPOJQPX-UHFFFAOYSA-N 1 0 312.800 4.021 20 30 DIEDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735308748 1050373167 /nfs/dbraw/zinc/37/31/67/1050373167.db2.gz RDLOBBRAPCGCFY-CJNGLKHVSA-N 1 0 306.837 4.253 20 30 DIEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735310323 1050374418 /nfs/dbraw/zinc/37/44/18/1050374418.db2.gz YNMQUBFWGPXUBQ-INIZCTEOSA-N 1 0 306.837 4.253 20 30 DIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cn2ccccc2n1 ZINC000574171921 1050378562 /nfs/dbraw/zinc/37/85/62/1050378562.db2.gz PIPSPSIPQHFJBV-SJLPKXTDSA-N 1 0 318.424 4.420 20 30 DIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cn2ccccc2n1 ZINC000574171923 1050379058 /nfs/dbraw/zinc/37/90/58/1050379058.db2.gz PIPSPSIPQHFJBV-WMZOPIPTSA-N 1 0 318.424 4.420 20 30 DIEDRO N#Cc1ccc2c(c1)C[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171116308 1050396325 /nfs/dbraw/zinc/39/63/25/1050396325.db2.gz NDURQQPHFWIBAD-FQEVSTJZSA-N 1 0 322.839 4.127 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000735490061 1050396640 /nfs/dbraw/zinc/39/66/40/1050396640.db2.gz BGUHJHVYLDSQNH-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785613345 1050396986 /nfs/dbraw/zinc/39/69/86/1050396986.db2.gz FFTAUYGAWJLASJ-NRFANRHFSA-N 1 0 319.452 4.182 20 30 DIEDRO C=CCCCCC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000785827067 1050417120 /nfs/dbraw/zinc/41/71/20/1050417120.db2.gz ONARERKDIITDIB-UHFFFAOYSA-N 1 0 310.482 4.112 20 30 DIEDRO C=CCCCCC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000785832013 1050418269 /nfs/dbraw/zinc/41/82/69/1050418269.db2.gz QTYJJUJAMKJRLP-UHFFFAOYSA-N 1 0 307.865 4.370 20 30 DIEDRO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000735671441 1050423410 /nfs/dbraw/zinc/42/34/10/1050423410.db2.gz OFQFCPQCAPLCGL-SFHVURJKSA-N 1 0 319.452 4.140 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Oc3ccccc3F)c2)C1 ZINC000593642357 1050429278 /nfs/dbraw/zinc/42/92/78/1050429278.db2.gz HBJWWWQJOGABSS-ZBFHGGJFSA-N 1 0 310.372 4.400 20 30 DIEDRO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(C#N)CCCC2)CC1 ZINC000593654975 1050432481 /nfs/dbraw/zinc/43/24/81/1050432481.db2.gz SZYCPQNCWJHIBF-UHFFFAOYSA-N 1 0 319.537 4.339 20 30 DIEDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(C#N)CCCC1 ZINC000593653622 1050432925 /nfs/dbraw/zinc/43/29/25/1050432925.db2.gz SPWFCEYUBBNJMK-CQSZACIVSA-N 1 0 322.399 4.283 20 30 DIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593697942 1050435341 /nfs/dbraw/zinc/43/53/41/1050435341.db2.gz PIKMPDRGVQUOEZ-FHWLQOOXSA-N 1 0 312.457 4.311 20 30 DIEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC000785997735 1050442209 /nfs/dbraw/zinc/44/22/09/1050442209.db2.gz RIKTVYJMPBUUGF-HNNXBMFYSA-N 1 0 304.459 4.001 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000783325282 1050444092 /nfs/dbraw/zinc/44/40/92/1050444092.db2.gz IDMWIVUNKSKFFI-VGWMRTNUSA-N 1 0 310.482 4.013 20 30 DIEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000786125579 1050456097 /nfs/dbraw/zinc/45/60/97/1050456097.db2.gz NURKJJKCWKIVKU-YLJYHZDGSA-N 1 0 320.436 4.275 20 30 DIEDRO N#Cc1cncc(C[N@H+](Cc2ccccc2)C2CCCCC2)c1 ZINC001144074540 1050459022 /nfs/dbraw/zinc/45/90/22/1050459022.db2.gz SYSYZPUEIMLCCY-UHFFFAOYSA-N 1 0 305.425 4.288 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171136944 1050461433 /nfs/dbraw/zinc/46/14/33/1050461433.db2.gz XLWUINMQQPZSDY-IBGZPJMESA-N 1 0 310.828 4.201 20 30 DIEDRO C[NH+](C)CCc1ccc(-c2ccc3c(CC#N)c[nH]c3c2)cc1 ZINC000593951489 1050462484 /nfs/dbraw/zinc/46/24/84/1050462484.db2.gz DGKNBGOQDLZMBS-UHFFFAOYSA-N 1 0 303.409 4.005 20 30 DIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cncc(C#N)c2)cc1C ZINC001144084855 1050462624 /nfs/dbraw/zinc/46/26/24/1050462624.db2.gz PZBSYFKZQBVICB-FQEVSTJZSA-N 1 0 305.425 4.297 20 30 DIEDRO CC(C)(C#N)CCC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019301 1050466602 /nfs/dbraw/zinc/46/66/02/1050466602.db2.gz JKKAJQVKKQCEMG-UHFFFAOYSA-N 1 0 322.456 4.139 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000594009340 1050473373 /nfs/dbraw/zinc/47/33/73/1050473373.db2.gz CVOOGTCLJOMZSS-QTLSWZBMSA-N 1 0 307.235 4.134 20 30 DIEDRO C#CCCC[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000766220760 1050493229 /nfs/dbraw/zinc/49/32/29/1050493229.db2.gz CCFQZEZBTPCXRC-NWDGAFQWSA-N 1 0 300.229 4.152 20 30 DIEDRO N#Cc1ccc(Br)c(C[N@H+](C2CC2)C2CCCC2)c1 ZINC000574461954 1050479145 /nfs/dbraw/zinc/47/91/45/1050479145.db2.gz DGEHJYVYOGKCJX-UHFFFAOYSA-N 1 0 319.246 4.228 20 30 DIEDRO C[NH2+]Cc1ccc(Nc2ccc(N3CCCCC3)c(C#N)c2)cc1 ZINC001211130937 1050489657 /nfs/dbraw/zinc/48/96/57/1050489657.db2.gz FVXJRKNTNYTGDP-UHFFFAOYSA-N 1 0 320.440 4.012 20 30 DIEDRO C=CC1(CC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CCCCC1 ZINC001144198170 1050490108 /nfs/dbraw/zinc/49/01/08/1050490108.db2.gz WMMLFMKQLBVWCM-SFHVURJKSA-N 1 0 322.537 4.386 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000046519068 1050494850 /nfs/dbraw/zinc/49/48/50/1050494850.db2.gz QBRILZIUOHZEPQ-UHFFFAOYSA-N 1 0 304.315 4.209 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCCc2cccs2)c(C(F)(F)F)c1 ZINC000574560427 1050498028 /nfs/dbraw/zinc/49/80/28/1050498028.db2.gz BFRCANHUTKVZBM-UHFFFAOYSA-N 1 0 324.371 4.361 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000158055342 1050504508 /nfs/dbraw/zinc/50/45/08/1050504508.db2.gz SHWXBZUYBDFLDB-NQYLQCIDSA-N 1 0 324.399 4.268 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000737803480 1050516587 /nfs/dbraw/zinc/51/65/87/1050516587.db2.gz CJBAIMWMABDVJS-LIVJGKJPSA-N 1 0 320.521 4.426 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCOc2ccccc2)cc1 ZINC000594492992 1050517029 /nfs/dbraw/zinc/51/70/29/1050517029.db2.gz BEIDFGFJFWKHGU-UHFFFAOYSA-N 1 0 308.425 4.046 20 30 DIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594497805 1050518893 /nfs/dbraw/zinc/51/88/93/1050518893.db2.gz GQFAWWXYVSZVPZ-MRXNPFEDSA-N 1 0 322.452 4.304 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](COC)c1ccc(Cl)cc1)c1ccncc1 ZINC000786826657 1050519132 /nfs/dbraw/zinc/51/91/32/1050519132.db2.gz BSTCSPYNHDKCJM-QZTJIDSGSA-N 1 0 316.832 4.330 20 30 DIEDRO COc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)ccc1C ZINC000594496836 1050519838 /nfs/dbraw/zinc/51/98/38/1050519838.db2.gz XLKRPTFCOUZWAM-UHFFFAOYSA-N 1 0 308.425 4.095 20 30 DIEDRO COCC(C)(C)CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594506479 1050520862 /nfs/dbraw/zinc/52/08/62/1050520862.db2.gz SVAWIYNSXXTMEB-UHFFFAOYSA-N 1 0 302.462 4.030 20 30 DIEDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000594506908 1050520959 /nfs/dbraw/zinc/52/09/59/1050520959.db2.gz YNYRQYVCCJUROE-ALXJQNPVSA-N 1 0 314.473 4.171 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000594500977 1050521034 /nfs/dbraw/zinc/52/10/34/1050521034.db2.gz PFWUHFUYPODPHI-ROUUACIJSA-N 1 0 314.473 4.171 20 30 DIEDRO C[C@@H]1CC(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000594506910 1050521111 /nfs/dbraw/zinc/52/11/11/1050521111.db2.gz YNYRQYVCCJUROE-HZPDHXFCSA-N 1 0 314.473 4.171 20 30 DIEDRO C[NH+](C)CCc1ccccc1NCc1ccc(C(C)(C)C#N)cc1 ZINC000594500862 1050521568 /nfs/dbraw/zinc/52/15/68/1050521568.db2.gz AHGJYTDEWMLYBP-UHFFFAOYSA-N 1 0 321.468 4.204 20 30 DIEDRO C#CC[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1 ZINC000786870645 1050523640 /nfs/dbraw/zinc/52/36/40/1050523640.db2.gz KLTWVLYXNBGGFR-XVAXZDLZSA-N 1 0 305.421 4.088 20 30 DIEDRO CCO[C@@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000594512286 1050525504 /nfs/dbraw/zinc/52/55/04/1050525504.db2.gz JDXGVSZHRHDJLD-SFHVURJKSA-N 1 0 302.462 4.029 20 30 DIEDRO Cc1nc(C)c([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594514641 1050525654 /nfs/dbraw/zinc/52/56/54/1050525654.db2.gz KNAOHJOYCAOPMJ-CYBMUJFWSA-N 1 0 311.454 4.362 20 30 DIEDRO COc1cccc2c1CC[C@@H]2[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594512144 1050525967 /nfs/dbraw/zinc/52/59/67/1050525967.db2.gz BWDYDYPHNVLYMX-IBGZPJMESA-N 1 0 318.420 4.223 20 30 DIEDRO COc1cccc2c1CC[C@H]2[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594512147 1050526633 /nfs/dbraw/zinc/52/66/33/1050526633.db2.gz BWDYDYPHNVLYMX-LJQANCHMSA-N 1 0 318.420 4.223 20 30 DIEDRO COc1c(C)cccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000594509712 1050526682 /nfs/dbraw/zinc/52/66/82/1050526682.db2.gz LGDOTLPCMZUSCT-IBGZPJMESA-N 1 0 306.409 4.043 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4ccc(C#N)cc43)CCC2)cc1 ZINC000594520108 1050527483 /nfs/dbraw/zinc/52/74/83/1050527483.db2.gz ZEKKXFMNEVZYPH-FQEVSTJZSA-N 1 0 313.404 4.086 20 30 DIEDRO CCc1cccnc1[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594518196 1050527880 /nfs/dbraw/zinc/52/78/80/1050527880.db2.gz MXWIXDBCVBQJOU-HNNXBMFYSA-N 1 0 305.425 4.246 20 30 DIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4c3c(F)ccc4F)CCC2)cc1 ZINC000594518926 1050528127 /nfs/dbraw/zinc/52/81/27/1050528127.db2.gz RDKLYCKLGIRIIB-GOSISDBHSA-N 1 0 324.374 4.493 20 30 DIEDRO Cc1ccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(C)n1 ZINC000594519663 1050528418 /nfs/dbraw/zinc/52/84/18/1050528418.db2.gz XMFWYLNJGGKGMG-INIZCTEOSA-N 1 0 305.425 4.300 20 30 DIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519713 1050528956 /nfs/dbraw/zinc/52/89/56/1050528956.db2.gz XYZACEZJBTWYSZ-OCCSQVGLSA-N 1 0 324.346 4.246 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2cccc3[nH]ccc32)cc1 ZINC000594525614 1050530975 /nfs/dbraw/zinc/53/09/75/1050530975.db2.gz WXXIKNOBFFGZMS-UHFFFAOYSA-N 1 0 317.436 4.301 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C(C)(C)c2cccc(Cl)c2)cc1 ZINC000738431802 1050534759 /nfs/dbraw/zinc/53/47/59/1050534759.db2.gz YWMAQWANCBVLHB-UHFFFAOYSA-N 1 0 313.828 4.377 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000787027488 1050540623 /nfs/dbraw/zinc/54/06/23/1050540623.db2.gz QTFKRFQOBDVNKR-XUJLQICISA-N 1 0 308.347 4.256 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000787034110 1050543285 /nfs/dbraw/zinc/54/32/85/1050543285.db2.gz JCRFBWXHBUXGPZ-FMKPAKJESA-N 1 0 308.347 4.256 20 30 DIEDRO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(C#N)cc1 ZINC000594720787 1050550540 /nfs/dbraw/zinc/55/05/40/1050550540.db2.gz KQUBPNVPHABHIX-ZDUSSCGKSA-N 1 0 310.372 4.089 20 30 DIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(CC#N)cc3C)c2c1 ZINC001171168071 1050551237 /nfs/dbraw/zinc/55/12/37/1050551237.db2.gz JHVMVBWXUKUZSD-MRXNPFEDSA-N 1 0 317.436 4.203 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc2cnccc2c1 ZINC000787132187 1050554721 /nfs/dbraw/zinc/55/47/21/1050554721.db2.gz JACLIOCSDQBVFO-UHFFFAOYSA-N 1 0 304.368 4.009 20 30 DIEDRO CCOCc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594914730 1050561121 /nfs/dbraw/zinc/56/11/21/1050561121.db2.gz JWVHDQXHWFTDMA-UHFFFAOYSA-N 1 0 320.436 4.068 20 30 DIEDRO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594920955 1050562736 /nfs/dbraw/zinc/56/27/36/1050562736.db2.gz NCHOPWAXQVSUTN-HXUWFJFHSA-N 1 0 302.421 4.327 20 30 DIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CC1(Cl)Cl ZINC000746660135 1050563697 /nfs/dbraw/zinc/56/36/97/1050563697.db2.gz SRMNKDNSHFQVND-OAHLLOKOSA-N 1 0 311.256 4.210 20 30 DIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594920831 1050564185 /nfs/dbraw/zinc/56/41/85/1050564185.db2.gz AVJUIAYUFLFEIJ-CQSZACIVSA-N 1 0 324.399 4.240 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594915914 1050564415 /nfs/dbraw/zinc/56/44/15/1050564415.db2.gz XLARJVGTDJCWJG-UHFFFAOYSA-N 1 0 320.436 4.319 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)CC1 ZINC000594929077 1050565953 /nfs/dbraw/zinc/56/59/53/1050565953.db2.gz YJMMVYCCPYQYGM-UHFFFAOYSA-N 1 0 301.393 4.013 20 30 DIEDRO N#CCCCC[NH2+]Cc1csc2c1cccc2Br ZINC000594929187 1050566117 /nfs/dbraw/zinc/56/61/17/1050566117.db2.gz ZWFNGFFSHGSWEO-UHFFFAOYSA-N 1 0 323.259 4.447 20 30 DIEDRO Cc1ccc(Cl)c(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1F ZINC001171178228 1050568946 /nfs/dbraw/zinc/56/89/46/1050568946.db2.gz DPUAQYHJTRCDIS-ZDUSSCGKSA-N 1 0 316.807 4.380 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(Cl)ccc1F ZINC001171179648 1050568999 /nfs/dbraw/zinc/56/89/99/1050568999.db2.gz VOWWZHYTVPLIGH-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC001171178620 1050572867 /nfs/dbraw/zinc/57/28/67/1050572867.db2.gz ICAANVKOTLTWKC-NSHDSACASA-N 1 0 320.770 4.211 20 30 DIEDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1Cl ZINC000594968669 1050572887 /nfs/dbraw/zinc/57/28/87/1050572887.db2.gz MURMMGQLCKBQEA-UHFFFAOYSA-N 1 0 314.816 4.245 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1F ZINC000594970295 1050573253 /nfs/dbraw/zinc/57/32/53/1050573253.db2.gz XOTDJPDYIHNPTF-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000594970759 1050574032 /nfs/dbraw/zinc/57/40/32/1050574032.db2.gz MIURSRRMKUCUQV-HRAATJIYSA-N 1 0 320.436 4.187 20 30 DIEDRO C[C@@H]([NH3+])c1ccc2c(ccn2[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171179267 1050574745 /nfs/dbraw/zinc/57/47/45/1050574745.db2.gz QBFGOCXFJHGBBP-HUUCEWRRSA-N 1 0 303.409 4.336 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000594939139 1050574939 /nfs/dbraw/zinc/57/49/39/1050574939.db2.gz ZTXVRNNSQPEBRQ-OAHLLOKOSA-N 1 0 304.384 4.157 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)ccc1Cl ZINC001171181882 1050575261 /nfs/dbraw/zinc/57/52/61/1050575261.db2.gz QLIGJEYKPYYANP-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3C[C@H](c4ccccc4)C3)cc2)CC1 ZINC000594936942 1050575319 /nfs/dbraw/zinc/57/53/19/1050575319.db2.gz MYAQOEJBGDWNCE-KESTWPANSA-N 1 0 302.421 4.278 20 30 DIEDRO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594935229 1050575494 /nfs/dbraw/zinc/57/54/94/1050575494.db2.gz DVZHTMIVRUBPOL-QZTJIDSGSA-N 1 0 314.498 4.396 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CC3CCC(F)(F)CC3)cc2)CC1 ZINC000594938092 1050575958 /nfs/dbraw/zinc/57/59/58/1050575958.db2.gz SGPAWDGDSYCSFR-UHFFFAOYSA-N 1 0 304.384 4.157 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCc3cccc4[nH]ccc43)cc2)CC1 ZINC000594936099 1050576064 /nfs/dbraw/zinc/57/60/64/1050576064.db2.gz HVZYYENFUUIEEJ-UHFFFAOYSA-N 1 0 315.420 4.055 20 30 DIEDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594950234 1050577332 /nfs/dbraw/zinc/57/73/32/1050577332.db2.gz RNDFGZAJPUMKNC-IAGOWNOFSA-N 1 0 300.471 4.006 20 30 DIEDRO CC1([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCC(F)(F)CC1 ZINC000594944627 1050578434 /nfs/dbraw/zinc/57/84/34/1050578434.db2.gz UABDYGATADTXDY-UHFFFAOYSA-N 1 0 304.384 4.299 20 30 DIEDRO N#CC1(c2ccc(C[NH2+][C@H]3C[C@H](c4ccc(F)cc4)C3)cc2)CC1 ZINC000594942920 1050579129 /nfs/dbraw/zinc/57/91/29/1050579129.db2.gz DQJXJKRFRBXIDF-IRJFHVNHSA-N 1 0 320.411 4.417 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171180493 1050580600 /nfs/dbraw/zinc/58/06/00/1050580600.db2.gz AUURINQEBGATNO-QGZVFWFLSA-N 1 0 322.452 4.458 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3(Cc4ccc(F)cc4)CC3)cc2)CC1 ZINC000594959535 1050581733 /nfs/dbraw/zinc/58/17/33/1050581733.db2.gz RTXXXHDZQCOFRE-UHFFFAOYSA-N 1 0 320.411 4.246 20 30 DIEDRO CC(C)Oc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001171184945 1050583308 /nfs/dbraw/zinc/58/33/08/1050583308.db2.gz QRSIMZSQQROLKF-UHFFFAOYSA-N 1 0 320.392 4.370 20 30 DIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1F ZINC000594968405 1050584417 /nfs/dbraw/zinc/58/44/17/1050584417.db2.gz GLLMRYUKYHGCLT-GOSISDBHSA-N 1 0 300.352 4.323 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171185742 1050585150 /nfs/dbraw/zinc/58/51/50/1050585150.db2.gz RWOMYOOLCPEHPG-KRWDZBQOSA-N 1 0 322.452 4.109 20 30 DIEDRO CC(C)Oc1ccc(CC[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171185743 1050585885 /nfs/dbraw/zinc/58/58/85/1050585885.db2.gz RWOMYOOLCPEHPG-QGZVFWFLSA-N 1 0 322.452 4.109 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC001171186916 1050586698 /nfs/dbraw/zinc/58/66/98/1050586698.db2.gz ZWWLCFIUFNGVCU-CQSZACIVSA-N 1 0 310.828 4.422 20 30 DIEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000746676297 1050588630 /nfs/dbraw/zinc/58/86/30/1050588630.db2.gz JUXANXPRPSAFGA-PXNSSMCTSA-N 1 0 320.436 4.042 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]C3CCC4(CC4(F)F)CC3)cc2)CC1 ZINC000594984750 1050589188 /nfs/dbraw/zinc/58/91/88/1050589188.db2.gz SLRMXLSRTFIUSW-UHFFFAOYSA-N 1 0 316.395 4.299 20 30 DIEDRO N#CC1(CNCc2ccc(Br)s2)CCCCC1 ZINC000594995463 1050589483 /nfs/dbraw/zinc/58/94/83/1050589483.db2.gz RCTCFMOHNGPYNU-UHFFFAOYSA-N 1 0 313.264 4.074 20 30 DIEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000746676296 1050590698 /nfs/dbraw/zinc/59/06/98/1050590698.db2.gz JUXANXPRPSAFGA-FXAWDEMLSA-N 1 0 320.436 4.042 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1 ZINC000594995202 1050591233 /nfs/dbraw/zinc/59/12/33/1050591233.db2.gz LHJGBLBTYQZVQH-HSALFYBXSA-N 1 0 320.411 4.055 20 30 DIEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(Br)c(Cl)c1 ZINC000595009164 1050591779 /nfs/dbraw/zinc/59/17/79/1050591779.db2.gz AOZSIBAEFGHQBB-SNVBAGLBSA-N 1 0 315.642 4.447 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1ccc(C#N)cc1 ZINC000595008057 1050591950 /nfs/dbraw/zinc/59/19/50/1050591950.db2.gz PBHWPPOHYJKKRT-NEPJUHHUSA-N 1 0 301.340 4.303 20 30 DIEDRO CSc1ccccc1C[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055221 1050592871 /nfs/dbraw/zinc/59/28/71/1050592871.db2.gz BFCLTCHVMDVLQW-OAHLLOKOSA-N 1 0 310.466 4.043 20 30 DIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171190939 1050593549 /nfs/dbraw/zinc/59/35/49/1050593549.db2.gz ZJOWKVLEQDNCMA-CABCVRRESA-N 1 0 312.844 4.363 20 30 DIEDRO C[C@@H]([NH3+])Cc1cn([C@@H](C)Cc2cccc(C#N)c2)c2ccccc12 ZINC001171190039 1050593765 /nfs/dbraw/zinc/59/37/65/1050593765.db2.gz OVNJLMBKMIUWMY-CVEARBPZSA-N 1 0 317.436 4.206 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC001171191955 1050593870 /nfs/dbraw/zinc/59/38/70/1050593870.db2.gz IXOVNMBQLCZNIB-FOIQADDNSA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(c2ccc(F)cc2F)CC1 ZINC001171191818 1050594046 /nfs/dbraw/zinc/59/40/46/1050594046.db2.gz GFWYCAZGTMRFMI-CYBMUJFWSA-N 1 0 312.363 4.046 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000740005818 1050594193 /nfs/dbraw/zinc/59/41/93/1050594193.db2.gz GWRQXJQEPYYQLJ-UHFFFAOYSA-N 1 0 305.377 4.043 20 30 DIEDRO C=CCCSCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000595058245 1050594951 /nfs/dbraw/zinc/59/49/51/1050594951.db2.gz FPDFDDGGVNXZDF-UHFFFAOYSA-N 1 0 314.498 4.289 20 30 DIEDRO C=CCCSCC[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000595059134 1050595399 /nfs/dbraw/zinc/59/53/99/1050595399.db2.gz LQXYYWADUGQROF-CYBMUJFWSA-N 1 0 311.516 4.377 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)NC(=[NH2+])c1cccc2ccccc21 ZINC001171192522 1050597265 /nfs/dbraw/zinc/59/72/65/1050597265.db2.gz NMEVXKUSTLHSAI-HNNXBMFYSA-N 1 0 313.404 4.258 20 30 DIEDRO Cc1ncccc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000740010587 1050597515 /nfs/dbraw/zinc/59/75/15/1050597515.db2.gz FSBIOWXVFVPYQV-UHFFFAOYSA-N 1 0 319.433 4.280 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C(F)F)nc1 ZINC000595029680 1050598275 /nfs/dbraw/zinc/59/82/75/1050598275.db2.gz KCNSYQFDBBXUQK-LBPRGKRZSA-N 1 0 313.351 4.231 20 30 DIEDRO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000746681375 1050599221 /nfs/dbraw/zinc/59/92/21/1050599221.db2.gz YLOPPDIJCBNVOI-MGPUTAFESA-N 1 0 324.399 4.311 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc2ccccc2cc1O ZINC001171193698 1050599545 /nfs/dbraw/zinc/59/95/45/1050599545.db2.gz YHTUXKPOIDHCGB-OAHLLOKOSA-N 1 0 316.404 4.138 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)c1cccc(F)c1F ZINC001171195231 1050601838 /nfs/dbraw/zinc/60/18/38/1050601838.db2.gz QIBVIXNEBVOXFY-QWHCGFSZSA-N 1 0 300.352 4.118 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171192087 1050602341 /nfs/dbraw/zinc/60/23/41/1050602341.db2.gz KDNDNLORZUHHQG-SJORKVTESA-N 1 0 320.436 4.405 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC001171195343 1050602388 /nfs/dbraw/zinc/60/23/88/1050602388.db2.gz RTJDRNCRTYUQLB-VBKZILBWSA-N 1 0 308.400 4.296 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccn1 ZINC000595050655 1050602669 /nfs/dbraw/zinc/60/26/69/1050602669.db2.gz UAJHLIAMWXNTKQ-FOIQADDNSA-N 1 0 305.425 4.114 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001171195705 1050604300 /nfs/dbraw/zinc/60/43/00/1050604300.db2.gz TXYZKMKTTRJBFD-MRXNPFEDSA-N 1 0 322.452 4.456 20 30 DIEDRO CCSC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000595102059 1050606877 /nfs/dbraw/zinc/60/68/77/1050606877.db2.gz ZCAUEOAZTRUFPC-UHFFFAOYSA-N 1 0 314.498 4.266 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000595087096 1050609678 /nfs/dbraw/zinc/60/96/78/1050609678.db2.gz AULUMPZCYVJDLL-LEWJYISDSA-N 1 0 318.420 4.308 20 30 DIEDRO CC[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595079647 1050609714 /nfs/dbraw/zinc/60/97/14/1050609714.db2.gz GDHFAPUAPVYXOK-QUCCMNQESA-N 1 0 311.473 4.006 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000595087097 1050610405 /nfs/dbraw/zinc/61/04/05/1050610405.db2.gz AULUMPZCYVJDLL-NHCUHLMSSA-N 1 0 318.420 4.308 20 30 DIEDRO COc1cccc(C2([NH2+][C@@H](C)c3ccc(C#N)cc3)CCC2)c1 ZINC000595093175 1050611404 /nfs/dbraw/zinc/61/14/04/1050611404.db2.gz GGIZCQQHJWJZBW-HNNXBMFYSA-N 1 0 306.409 4.297 20 30 DIEDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092126 1050611837 /nfs/dbraw/zinc/61/18/37/1050611837.db2.gz XIZDEOVKYDXCFK-INIZCTEOSA-N 1 0 322.493 4.198 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCc2ccco2)CC1 ZINC000595094247 1050612065 /nfs/dbraw/zinc/61/20/65/1050612065.db2.gz SSSGJHURQIUSOG-UHFFFAOYSA-N 1 0 308.425 4.206 20 30 DIEDRO Cc1ccc(CC2(C[NH2+][C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171199250 1050618024 /nfs/dbraw/zinc/61/80/24/1050618024.db2.gz WZPGXDJAXIUUDJ-SFHVURJKSA-N 1 0 318.464 4.410 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccco1 ZINC000787764349 1050618709 /nfs/dbraw/zinc/61/87/09/1050618709.db2.gz OXGGLHXYJOLBMO-AZUAARDMSA-N 1 0 311.425 4.101 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(c3cccc(OC)c3)CC2)cc1 ZINC001144578833 1050618792 /nfs/dbraw/zinc/61/87/92/1050618792.db2.gz RISOLVZLCPVKGI-UHFFFAOYSA-N 1 0 305.421 4.056 20 30 DIEDRO COc1ccccc1CC(C)(C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171198733 1050619912 /nfs/dbraw/zinc/61/99/12/1050619912.db2.gz OXOQJVZLOCYYHU-INIZCTEOSA-N 1 0 322.452 4.109 20 30 DIEDRO C#Cc1ccc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)cc1 ZINC001144573106 1050621233 /nfs/dbraw/zinc/62/12/33/1050621233.db2.gz BBFLVGGLSCCVOZ-UHFFFAOYSA-N 1 0 305.421 4.020 20 30 DIEDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@H](C)Cc1cccc(C#N)c1 ZINC001171200699 1050626139 /nfs/dbraw/zinc/62/61/39/1050626139.db2.gz AOXPLRTWDFHROM-CYBMUJFWSA-N 1 0 311.816 4.066 20 30 DIEDRO COc1cccc(SCC[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000595415341 1050630871 /nfs/dbraw/zinc/63/08/71/1050630871.db2.gz OWAVLLUCDRHBGA-AWEZNQCLSA-N 1 0 312.438 4.010 20 30 DIEDRO CO[C@@H](C[NH2+][C@@H](CCC#N)c1ccccc1)C1CCCCC1 ZINC000595418956 1050632747 /nfs/dbraw/zinc/63/27/47/1050632747.db2.gz GVORYHIUJMXMDF-OALUTQOASA-N 1 0 300.446 4.216 20 30 DIEDRO CC1(C)CCCC[C@H]1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000595472102 1050636084 /nfs/dbraw/zinc/63/60/84/1050636084.db2.gz HXMNYLXYBPELBE-KRWDZBQOSA-N 1 0 311.473 4.155 20 30 DIEDRO COc1cccc([C@H]([NH2+][C@@H](C)Cc2cccc(C#N)c2)C2CC2)c1 ZINC001171202314 1050636291 /nfs/dbraw/zinc/63/62/91/1050636291.db2.gz YTBKXXKPWHMNRL-YCRPNKLZSA-N 1 0 320.436 4.239 20 30 DIEDRO CCCCCCC[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000740877126 1050636808 /nfs/dbraw/zinc/63/68/08/1050636808.db2.gz BDIPDMHEYLLISJ-HXUWFJFHSA-N 1 0 322.537 4.460 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000845975992 1050639542 /nfs/dbraw/zinc/63/95/42/1050639542.db2.gz DJFZKSVWSUNLPN-BZUAXINKSA-N 1 0 310.482 4.014 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001171203101 1050643198 /nfs/dbraw/zinc/64/31/98/1050643198.db2.gz IZIDGFDXKQXKTN-CQSZACIVSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001171203100 1050643587 /nfs/dbraw/zinc/64/35/87/1050643587.db2.gz IZIDGFDXKQXKTN-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO C[C@H](c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1)C(F)(F)F ZINC000595623976 1050652586 /nfs/dbraw/zinc/65/25/86/1050652586.db2.gz ZUTGHANFRBJMLZ-ZIAGYGMSSA-N 1 0 310.363 4.478 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(c2ccco2)CC1 ZINC000595618851 1050652679 /nfs/dbraw/zinc/65/26/79/1050652679.db2.gz SWPAZNKDWKYMJG-UHFFFAOYSA-N 1 0 308.425 4.460 20 30 DIEDRO C[C@@]1(CC[NH2+]Cc2cccc(OCCCC#N)c2)C[C@@]1(F)Cl ZINC000846034202 1050653231 /nfs/dbraw/zinc/65/32/31/1050653231.db2.gz IJAVIMIHGNCOCQ-SJORKVTESA-N 1 0 324.827 4.163 20 30 DIEDRO CC(C)(C)[N@H+](CCCC1(C#N)CCOCC1)Cc1ccsc1 ZINC000595603594 1050654315 /nfs/dbraw/zinc/65/43/15/1050654315.db2.gz ZDVNWQMFASQCDJ-UHFFFAOYSA-N 1 0 320.502 4.449 20 30 DIEDRO N#CC[C@@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000595615802 1050658002 /nfs/dbraw/zinc/65/80/02/1050658002.db2.gz UCMMZPZIACERFH-KRWDZBQOSA-N 1 0 308.425 4.234 20 30 DIEDRO CC(C)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1F ZINC000595692569 1050660479 /nfs/dbraw/zinc/66/04/79/1050660479.db2.gz OZGZYCQWAZVSLY-GOSISDBHSA-N 1 0 318.436 4.213 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144705846 1050662288 /nfs/dbraw/zinc/66/22/88/1050662288.db2.gz UVWUQYXHSMSSQJ-UHFFFAOYSA-N 1 0 315.420 4.225 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)cc1F ZINC000595750541 1050667751 /nfs/dbraw/zinc/66/77/51/1050667751.db2.gz CJHUNIZHTJFTGO-SFHVURJKSA-N 1 0 310.372 4.043 20 30 DIEDRO CCC1(CC)CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000595751600 1050668297 /nfs/dbraw/zinc/66/82/97/1050668297.db2.gz GBDJIDLFGIEHQC-UHFFFAOYSA-N 1 0 324.428 4.010 20 30 DIEDRO N#CC1(CC[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CCCCC1 ZINC000595791113 1050670522 /nfs/dbraw/zinc/67/05/22/1050670522.db2.gz ZRCJEVOGVPAKEF-ZWKOTPCHSA-N 1 0 304.478 4.132 20 30 DIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC000595845385 1050673936 /nfs/dbraw/zinc/67/39/36/1050673936.db2.gz MZZVOCFGKHBWMR-GASCZTMLSA-N 1 0 306.331 4.260 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCCC[C@H]2CC2CCC2)CCOCC1 ZINC000595869382 1050675844 /nfs/dbraw/zinc/67/58/44/1050675844.db2.gz ASSTUJOCKQPATJ-SFHVURJKSA-N 1 0 304.478 4.132 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000227582234 1050687874 /nfs/dbraw/zinc/68/78/74/1050687874.db2.gz LMAWOCXAJIJZKR-HOTGVXAUSA-N 1 0 322.493 4.253 20 30 DIEDRO N#Cc1c(F)cccc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000060082192 1050706368 /nfs/dbraw/zinc/70/63/68/1050706368.db2.gz LRRFPTZOPFGGFA-UHFFFAOYSA-N 1 0 323.415 4.021 20 30 DIEDRO CCCCCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741590108 1050711288 /nfs/dbraw/zinc/71/12/88/1050711288.db2.gz AWLQOADPQXXMOH-ZWKOTPCHSA-N 1 0 310.526 4.458 20 30 DIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001171221921 1050713851 /nfs/dbraw/zinc/71/38/51/1050713851.db2.gz XAUFGYMGFOGOAP-JXFKEZNVSA-N 1 0 305.425 4.111 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001171221689 1050714241 /nfs/dbraw/zinc/71/42/41/1050714241.db2.gz SEXLSTWCGRQZNR-QRWLVFNGSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001171228174 1050722074 /nfs/dbraw/zinc/72/20/74/1050722074.db2.gz FCQLNZKHXITQBA-CRAIPNDOSA-N 1 0 300.421 4.093 20 30 DIEDRO Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C)Cc2cccc(C#N)c2)cn1 ZINC001171228188 1050723008 /nfs/dbraw/zinc/72/30/08/1050723008.db2.gz FCVKZXJKZLDGDP-OXJNMPFZSA-N 1 0 305.425 4.030 20 30 DIEDRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230819 1050726035 /nfs/dbraw/zinc/72/60/35/1050726035.db2.gz YIPXFYHBOTXDPP-INIZCTEOSA-N 1 0 308.425 4.020 20 30 DIEDRO C=C(C)[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(F)c(F)c1 ZINC000788755287 1050737571 /nfs/dbraw/zinc/73/75/71/1050737571.db2.gz RLGARMOCOUWNID-PIGZYNQJSA-N 1 0 304.340 4.033 20 30 DIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccccc1C ZINC000741774729 1050739220 /nfs/dbraw/zinc/73/92/20/1050739220.db2.gz ZYKYZHXHEUMACN-INIZCTEOSA-N 1 0 321.873 4.432 20 30 DIEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000741793860 1050743559 /nfs/dbraw/zinc/74/35/59/1050743559.db2.gz BZCHSADIFURZIQ-UONOGXRCSA-N 1 0 306.837 4.253 20 30 DIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000772951838 1050753343 /nfs/dbraw/zinc/75/33/43/1050753343.db2.gz OZYDCEOZJJPXRV-WDEREUQCSA-N 1 0 315.244 4.122 20 30 DIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000596650399 1050763876 /nfs/dbraw/zinc/76/38/76/1050763876.db2.gz HWPVSLRVUBIVLU-SFTDATJTSA-N 1 0 317.436 4.185 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000788986839 1050773648 /nfs/dbraw/zinc/77/36/48/1050773648.db2.gz ZJYMRJXBGOGYMX-CQSZACIVSA-N 1 0 307.384 4.002 20 30 DIEDRO C[C@@H](CCC1CCCCC1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772957547 1050774113 /nfs/dbraw/zinc/77/41/13/1050774113.db2.gz ADAIZIFCJCLFBI-INIZCTEOSA-N 1 0 300.446 4.428 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)nc1 ZINC000788980964 1050780865 /nfs/dbraw/zinc/78/08/65/1050780865.db2.gz BYUMLKOGPQITFI-PXAZEXFGSA-N 1 0 311.816 4.335 20 30 DIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2COc3c2ccc(C)c3C)cc1 ZINC000772958263 1050792834 /nfs/dbraw/zinc/79/28/34/1050792834.db2.gz JAUDLPGCLVNMFK-UZLBHIALSA-N 1 0 321.420 4.100 20 30 DIEDRO CCC[N@H+](Cc1cc(COC)cs1)Cc1ccc(C#N)cc1 ZINC000596984073 1050794590 /nfs/dbraw/zinc/79/45/90/1050794590.db2.gz PJUGAEOKZFMICT-UHFFFAOYSA-N 1 0 314.454 4.178 20 30 DIEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000772957832 1050797075 /nfs/dbraw/zinc/79/70/75/1050797075.db2.gz BSSRXRTYPVKWAV-QRWLVFNGSA-N 1 0 306.409 4.236 20 30 DIEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3c3ccc(O)cc3)cc2)CC1 ZINC000596999620 1050797659 /nfs/dbraw/zinc/79/76/59/1050797659.db2.gz FDVQCVRSTTWROB-FQEVSTJZSA-N 1 0 318.420 4.284 20 30 DIEDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc(C)c1F ZINC000772959393 1050805763 /nfs/dbraw/zinc/80/57/63/1050805763.db2.gz LKYRMUAOXYUPHA-HNNXBMFYSA-N 1 0 312.388 4.196 20 30 DIEDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597084515 1050806659 /nfs/dbraw/zinc/80/66/59/1050806659.db2.gz VYVCTVMKOCHOHW-OXQOHEQNSA-N 1 0 317.436 4.220 20 30 DIEDRO CC(C)[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772960179 1050807714 /nfs/dbraw/zinc/80/77/14/1050807714.db2.gz UCFHFZPIABEOHH-NRFANRHFSA-N 1 0 322.452 4.336 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000772958780 1050807983 /nfs/dbraw/zinc/80/79/83/1050807983.db2.gz HUZKRIAKCORENI-RVKKMQEKSA-N 1 0 300.446 4.454 20 30 DIEDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116965 1050808611 /nfs/dbraw/zinc/80/86/11/1050808611.db2.gz STIOZBLODIYRAN-SWLSCSKDSA-N 1 0 308.347 4.014 20 30 DIEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)CC2 ZINC000772960232 1050808570 /nfs/dbraw/zinc/80/85/70/1050808570.db2.gz QHKSFPBKIMDFNT-YWZLYKJASA-N 1 0 306.409 4.236 20 30 DIEDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597111246 1050809147 /nfs/dbraw/zinc/80/91/47/1050809147.db2.gz XLRFTNGTKKQDBT-HNNXBMFYSA-N 1 0 322.374 4.405 20 30 DIEDRO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000597131607 1050812509 /nfs/dbraw/zinc/81/25/09/1050812509.db2.gz BTQXFOUBNJGLRM-SFHVURJKSA-N 1 0 312.457 4.021 20 30 DIEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001171267918 1050812728 /nfs/dbraw/zinc/81/27/28/1050812728.db2.gz UKPGVCAKIAQBQO-SFHVURJKSA-N 1 0 308.400 4.465 20 30 DIEDRO CC[N@H+](CCOc1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060469308 1050816083 /nfs/dbraw/zinc/81/60/83/1050816083.db2.gz OFNZIEXSFKGWMU-MRXNPFEDSA-N 1 0 324.424 4.029 20 30 DIEDRO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000597174566 1050818034 /nfs/dbraw/zinc/81/80/34/1050818034.db2.gz RAXDXIFTHYAYDO-QGZVFWFLSA-N 1 0 320.436 4.488 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]CCCCC2(C#N)CCC2)C12CCCC2 ZINC001170104404 1050821082 /nfs/dbraw/zinc/82/10/82/1050821082.db2.gz HJUGVORXCXJJSR-IAGOWNOFSA-N 1 0 304.478 4.178 20 30 DIEDRO CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000742368606 1050822603 /nfs/dbraw/zinc/82/26/03/1050822603.db2.gz JTYDLLOYXBLXKJ-OAHLLOKOSA-N 1 0 308.425 4.370 20 30 DIEDRO CCCCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000742381644 1050824765 /nfs/dbraw/zinc/82/47/65/1050824765.db2.gz APTOHJUUYRIZAO-UHFFFAOYSA-N 1 0 312.388 4.166 20 30 DIEDRO C#CCCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000742385162 1050827615 /nfs/dbraw/zinc/82/76/15/1050827615.db2.gz XNHOMGPNAHNKMI-UHFFFAOYSA-N 1 0 307.315 4.468 20 30 DIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC[C@H](SC)C2)ccc1OC ZINC000742383572 1050827872 /nfs/dbraw/zinc/82/78/72/1050827872.db2.gz QJOUPTHKMXUQDC-CVEARBPZSA-N 1 0 321.486 4.024 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CCC([C@H]4CCCCO4)CC3)cc2)CC1 ZINC000597225236 1050829954 /nfs/dbraw/zinc/82/99/54/1050829954.db2.gz QGCCDIDWIBMMCG-HXUWFJFHSA-N 1 0 324.468 4.023 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CCC([C@@H]4CCCCO4)CC3)cc2)CC1 ZINC000597225235 1050830017 /nfs/dbraw/zinc/83/00/17/1050830017.db2.gz QGCCDIDWIBMMCG-FQEVSTJZSA-N 1 0 324.468 4.023 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc(C#N)c(F)c1 ZINC000593321268 1050831493 /nfs/dbraw/zinc/83/14/93/1050831493.db2.gz HFURXULLYBNEDM-KSSFIOAISA-N 1 0 323.415 4.165 20 30 DIEDRO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc(C#N)c(F)c1 ZINC000593321269 1050832084 /nfs/dbraw/zinc/83/20/84/1050832084.db2.gz HFURXULLYBNEDM-RDTXWAMCSA-N 1 0 323.415 4.165 20 30 DIEDRO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc(C#N)cc1F ZINC000593322063 1050832204 /nfs/dbraw/zinc/83/22/04/1050832204.db2.gz LIHSPLOZRPHJEK-YOEHRIQHSA-N 1 0 323.415 4.165 20 30 DIEDRO Cc1cccc(F)c1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000742380128 1050840026 /nfs/dbraw/zinc/84/00/26/1050840026.db2.gz IOBVCTVJXWPDPX-UHFFFAOYSA-N 1 0 312.388 4.107 20 30 DIEDRO C#CCCC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000789554432 1050849846 /nfs/dbraw/zinc/84/98/46/1050849846.db2.gz HWSNVULYPOTECV-SFHVURJKSA-N 1 0 311.404 4.156 20 30 DIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2nccnc2c1)c1ccccc1 ZINC000602023637 1050891700 /nfs/dbraw/zinc/89/17/00/1050891700.db2.gz KCIHICWXAMOOIS-GOSISDBHSA-N 1 0 316.408 4.155 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCCC2(C)C)c1 ZINC000772985481 1050905059 /nfs/dbraw/zinc/90/50/59/1050905059.db2.gz RSXKOSHVLRTUAA-WMZOPIPTSA-N 1 0 300.446 4.426 20 30 DIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000790056618 1050909688 /nfs/dbraw/zinc/90/96/88/1050909688.db2.gz WJIYKTZNRDAQQG-MOPGFXCFSA-N 1 0 320.436 4.187 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000772986248 1050918485 /nfs/dbraw/zinc/91/84/85/1050918485.db2.gz CASAMYXVQQDEBM-FQEVSTJZSA-N 1 0 305.421 4.330 20 30 DIEDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000772985068 1050918564 /nfs/dbraw/zinc/91/85/64/1050918564.db2.gz QCEPYDPMSKNJDL-UXHICEINSA-N 1 0 322.452 4.478 20 30 DIEDRO CCCCCCCCCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000742720985 1050925739 /nfs/dbraw/zinc/92/57/39/1050925739.db2.gz VXKUNZCTXRIQLG-AYHJJNSGSA-N 1 0 308.510 4.259 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000772989637 1050927778 /nfs/dbraw/zinc/92/77/78/1050927778.db2.gz XQDHGJNEWZHHNJ-SFHVURJKSA-N 1 0 311.812 4.129 20 30 DIEDRO Fc1ccc(C#CCN2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000746888133 1050936493 /nfs/dbraw/zinc/93/64/93/1050936493.db2.gz NTSKVOAJPKBSRW-IBGZPJMESA-N 1 0 315.338 4.293 20 30 DIEDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCOc2ccccc2C#N)C1 ZINC001170147604 1051022825 /nfs/dbraw/zinc/02/28/25/1051022825.db2.gz ABGGWULDPXQWDH-FXAWDEMLSA-N 1 0 320.436 4.410 20 30 DIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)C1CC1 ZINC000773014256 1051023428 /nfs/dbraw/zinc/02/34/28/1051023428.db2.gz JOVVYPDNQDZJCD-CABCVRRESA-N 1 0 314.256 4.361 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cn2cc[nH+]c2cc1C ZINC001171373235 1051030224 /nfs/dbraw/zinc/03/02/24/1051030224.db2.gz FOJQLFJZMJPMAN-OAHLLOKOSA-N 1 0 307.397 4.381 20 30 DIEDRO C#CCCCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000773035750 1051032210 /nfs/dbraw/zinc/03/22/10/1051032210.db2.gz JWAXJYVLNHVIHQ-CQSZACIVSA-N 1 0 324.287 4.379 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(F)c2)c1 ZINC000743477688 1051032752 /nfs/dbraw/zinc/03/27/52/1051032752.db2.gz UJNUJNZZQLTUHP-RDTXWAMCSA-N 1 0 312.388 4.357 20 30 DIEDRO C#CCCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773039154 1051035811 /nfs/dbraw/zinc/03/58/11/1051035811.db2.gz WKKWUIVXGPUOFN-MRXNPFEDSA-N 1 0 302.437 4.270 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1cccc(C#N)c1 ZINC000743495675 1051038686 /nfs/dbraw/zinc/03/86/86/1051038686.db2.gz HQTWXRHELXEMGL-NSHDSACASA-N 1 0 322.380 4.458 20 30 DIEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000773059996 1051045575 /nfs/dbraw/zinc/04/55/75/1051045575.db2.gz OUHSCJDFGCYIGX-GFCCVEGCSA-N 1 0 301.402 4.245 20 30 DIEDRO CCCCCCCCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000743674951 1051051651 /nfs/dbraw/zinc/05/16/51/1051051651.db2.gz OOKUXUXSWCKIRH-AYHJJNSGSA-N 1 0 323.525 4.052 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cc(C)ccc1OC ZINC000773076930 1051052602 /nfs/dbraw/zinc/05/26/02/1051052602.db2.gz PHUISTNVMFUWID-SFHVURJKSA-N 1 0 324.424 4.125 20 30 DIEDRO C=CCC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000773081378 1051057465 /nfs/dbraw/zinc/05/74/65/1051057465.db2.gz QTSXRXQFIINBAN-RBUKOAKNSA-N 1 0 315.457 4.012 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1F ZINC000791570127 1051057735 /nfs/dbraw/zinc/05/77/35/1051057735.db2.gz YSFAWRPJWWUBGH-LJQANCHMSA-N 1 0 317.379 4.077 20 30 DIEDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)cc1C#N ZINC000773086098 1051058796 /nfs/dbraw/zinc/05/87/96/1051058796.db2.gz YHYOIRMYNCOWIW-KDOFPFPSSA-N 1 0 306.409 4.213 20 30 DIEDRO C#CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000773108266 1051064180 /nfs/dbraw/zinc/06/41/80/1051064180.db2.gz VFSPKDXFZNBZKW-BVYCBKJFSA-N 1 0 324.512 4.384 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](CC)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000773108549 1051065635 /nfs/dbraw/zinc/06/56/35/1051065635.db2.gz ZSOBNPGMBSCSOC-VQTJNVASSA-N 1 0 305.421 4.427 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000773106305 1051065916 /nfs/dbraw/zinc/06/59/16/1051065916.db2.gz LKQHTELBIIUTIO-INIZCTEOSA-N 1 0 320.452 4.059 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](CC)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000773117910 1051066645 /nfs/dbraw/zinc/06/66/45/1051066645.db2.gz YICULNZKTDLCMW-RBUKOAKNSA-N 1 0 321.420 4.263 20 30 DIEDRO C#CC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000773113854 1051067523 /nfs/dbraw/zinc/06/75/23/1051067523.db2.gz GBQHNQRRTOSZSD-JOCHJYFZSA-N 1 0 318.464 4.005 20 30 DIEDRO C#CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000773117763 1051067746 /nfs/dbraw/zinc/06/77/46/1051067746.db2.gz WHEBOHYHMRNZCC-RBUKOAKNSA-N 1 0 308.381 4.400 20 30 DIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000773118372 1051068942 /nfs/dbraw/zinc/06/89/42/1051068942.db2.gz ZDQQRGMIDUUBFS-DYESRHJHSA-N 1 0 315.420 4.288 20 30 DIEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743857954 1051080175 /nfs/dbraw/zinc/08/01/75/1051080175.db2.gz YQSWNFNTUUTSCQ-FOIQADDNSA-N 1 0 324.399 4.311 20 30 DIEDRO CCc1ccc(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000743867566 1051084557 /nfs/dbraw/zinc/08/45/57/1051084557.db2.gz OTDUJMLATCRXPF-KRWDZBQOSA-N 1 0 319.452 4.004 20 30 DIEDRO C[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000743876371 1051087443 /nfs/dbraw/zinc/08/74/43/1051087443.db2.gz YXDRRWWHWCTDGW-QFBILLFUSA-N 1 0 324.424 4.393 20 30 DIEDRO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H](c2ccco2)C1 ZINC000743876393 1051087731 /nfs/dbraw/zinc/08/77/31/1051087731.db2.gz ZNCPVVFKAYXWFD-CRAIPNDOSA-N 1 0 310.397 4.155 20 30 DIEDRO CC1(C)c2ccccc2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001171416245 1051101877 /nfs/dbraw/zinc/10/18/77/1051101877.db2.gz AIFUSKCLLQDGMH-UHFFFAOYSA-N 1 0 320.436 4.121 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC000744153854 1051121894 /nfs/dbraw/zinc/12/18/94/1051121894.db2.gz MDEBSKDWIGJELL-UHFFFAOYSA-N 1 0 318.420 4.171 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001171459298 1051140511 /nfs/dbraw/zinc/14/05/11/1051140511.db2.gz SRMOFNUGRMWTNB-FUHWJXTLSA-N 1 0 312.457 4.215 20 30 DIEDRO C=C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccccc1 ZINC001171529153 1051161890 /nfs/dbraw/zinc/16/18/90/1051161890.db2.gz LZBCHIOPMRATPW-RHSMWYFYSA-N 1 0 317.354 4.478 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171588943 1051162100 /nfs/dbraw/zinc/16/21/00/1051162100.db2.gz JICIIHRBNMYUHZ-HZPDHXFCSA-N 1 0 324.509 4.356 20 30 DIEDRO Cc1cccc2c1CC[C@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)C2 ZINC001171549454 1051163579 /nfs/dbraw/zinc/16/35/79/1051163579.db2.gz ATQPOESIIGTGPS-IBGZPJMESA-N 1 0 304.437 4.249 20 30 DIEDRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001170277213 1051182019 /nfs/dbraw/zinc/18/20/19/1051182019.db2.gz QXJWEXUVUOVIEK-AWEZNQCLSA-N 1 0 310.828 4.201 20 30 DIEDRO Cc1cccc([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001170362337 1051191013 /nfs/dbraw/zinc/19/10/13/1051191013.db2.gz XXEKNGXQLBTEGC-OCDPCBSRSA-N 1 0 319.452 4.445 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001170368175 1051193104 /nfs/dbraw/zinc/19/31/04/1051193104.db2.gz OPXIPHKGTDMPED-UHFFFAOYSA-N 1 0 314.432 4.032 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2(c3cccnc3)CC2)CC1 ZINC001170365324 1051193335 /nfs/dbraw/zinc/19/33/35/1051193335.db2.gz VXNJIPCKVDRODS-UHFFFAOYSA-N 1 0 317.436 4.064 20 30 DIEDRO C#Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170369222 1051193628 /nfs/dbraw/zinc/19/36/28/1051193628.db2.gz UHIRWJQGDXPQFD-UHFFFAOYSA-N 1 0 314.432 4.162 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170388840 1051194951 /nfs/dbraw/zinc/19/49/51/1051194951.db2.gz HKWGBXPVFUPWQX-KKXNLOMOSA-N 1 0 307.441 4.016 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@H](CF)C2)CC1 ZINC001170389477 1051195080 /nfs/dbraw/zinc/19/50/80/1051195080.db2.gz UNNUCXVJZAXHDJ-IPJUCJBFSA-N 1 0 300.421 4.072 20 30 DIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001170389449 1051196030 /nfs/dbraw/zinc/19/60/30/1051196030.db2.gz SUZJXZNPVUPNTG-GTPINHCMSA-N 1 0 322.374 4.275 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(C(F)F)CC2)CC1 ZINC001170389659 1051196541 /nfs/dbraw/zinc/19/65/41/1051196541.db2.gz XYQJXTWCJHJIJM-UHFFFAOYSA-N 1 0 318.411 4.368 20 30 DIEDRO C=CCN(Cc1ccccc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642286 1051197761 /nfs/dbraw/zinc/19/77/61/1051197761.db2.gz IUTBCEBXJJMMGQ-UHFFFAOYSA-N 1 0 300.490 4.326 20 30 DIEDRO N#CC1(c2ccccc2)CCC([NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC001170378422 1051199307 /nfs/dbraw/zinc/19/93/07/1051199307.db2.gz ARIGBBQXNLMLLV-UHFFFAOYSA-N 1 0 316.395 4.122 20 30 DIEDRO C[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC1(F)F ZINC001170379234 1051199463 /nfs/dbraw/zinc/19/94/63/1051199463.db2.gz UTPJJZAJISVWBG-FAEJEUNOSA-N 1 0 318.411 4.368 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171782830 1051217456 /nfs/dbraw/zinc/21/74/56/1051217456.db2.gz GHICZRZNNTVAQW-GDBMZVCRSA-N 1 0 311.400 4.209 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171782834 1051218105 /nfs/dbraw/zinc/21/81/05/1051218105.db2.gz GHICZRZNNTVAQW-HOCLYGCPSA-N 1 0 311.400 4.209 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC001171809584 1051225797 /nfs/dbraw/zinc/22/57/97/1051225797.db2.gz HOCVTDXXXWUATC-FQEVSTJZSA-N 1 0 302.506 4.206 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC001171848047 1051232719 /nfs/dbraw/zinc/23/27/19/1051232719.db2.gz WKIUKAFKHIDMBI-HNNXBMFYSA-N 1 0 312.413 4.138 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1(CC#N)CCCC1 ZINC001171968615 1051246263 /nfs/dbraw/zinc/24/62/63/1051246263.db2.gz HMJQRNZGIKYBLD-ZDUSSCGKSA-N 1 0 310.363 4.452 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001171960244 1051246861 /nfs/dbraw/zinc/24/68/61/1051246861.db2.gz TVEDCOCUCCJAKK-XNRPHZJLSA-N 1 0 310.363 4.308 20 30 DIEDRO CCCCN(CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988905 1051256412 /nfs/dbraw/zinc/25/64/12/1051256412.db2.gz XBODNFYBBDTCKN-IBGZPJMESA-N 1 0 313.489 4.055 20 30 DIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001171975790 1051262880 /nfs/dbraw/zinc/26/28/80/1051262880.db2.gz ZRCGDFCRAZZXRG-ZFZWDLNGSA-N 1 0 322.374 4.403 20 30 DIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC#N)CC1 ZINC001171973779 1051264565 /nfs/dbraw/zinc/26/45/65/1051264565.db2.gz PAFPPGWJZVXQCB-CYBMUJFWSA-N 1 0 310.363 4.262 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC#Cc2ccccc2)cc1 ZINC001170429626 1051282670 /nfs/dbraw/zinc/28/26/70/1051282670.db2.gz RMRNJHVXLKSOEX-QFIPXVFZSA-N 1 0 316.448 4.473 20 30 DIEDRO N#Cc1ccccc1Nc1cccc(C[NH+]2CCCCC2)c1F ZINC001215677658 1051295451 /nfs/dbraw/zinc/29/54/51/1051295451.db2.gz QRCNBVSNLRVORS-UHFFFAOYSA-N 1 0 309.388 4.427 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000793526408 1051308825 /nfs/dbraw/zinc/30/88/25/1051308825.db2.gz RRWXQYRABFJITN-QGZVFWFLSA-N 1 0 301.478 4.296 20 30 DIEDRO CCCCCCCCCC[N@H+](C)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172187058 1051309388 /nfs/dbraw/zinc/30/93/88/1051309388.db2.gz VJWHTMCSYXPKRC-ROUUACIJSA-N 1 0 308.510 4.212 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000793527053 1051309962 /nfs/dbraw/zinc/30/99/62/1051309962.db2.gz SMQPSSZZFLFTKK-QGZVFWFLSA-N 1 0 301.478 4.296 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000793526407 1051310125 /nfs/dbraw/zinc/31/01/25/1051310125.db2.gz RRWXQYRABFJITN-KRWDZBQOSA-N 1 0 301.478 4.296 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cnc(OC)c(Cl)c1)c1ccncc1 ZINC000793542950 1051313276 /nfs/dbraw/zinc/31/32/76/1051313276.db2.gz SGPMELSMZTVURR-MLGOLLRUSA-N 1 0 317.820 4.107 20 30 DIEDRO CCCCCCCCCCC[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172158051 1051313578 /nfs/dbraw/zinc/31/35/78/1051313578.db2.gz ANWIMTCJWOEDCY-ZWKOTPCHSA-N 1 0 308.510 4.260 20 30 DIEDRO Cc1ccccc1C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000793540716 1051313795 /nfs/dbraw/zinc/31/37/95/1051313795.db2.gz NJRHTXLSKNZCPE-OAQYLSRUSA-N 1 0 320.436 4.008 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(C(=O)OC(C)C)CC1 ZINC000793542165 1051314297 /nfs/dbraw/zinc/31/42/97/1051314297.db2.gz UKLWPMGMUWGCIV-INIZCTEOSA-N 1 0 310.482 4.110 20 30 DIEDRO N#Cc1cc(C[NH2+][C@H]2CSc3ccccc3C2)ccc1Cl ZINC001172201984 1051315712 /nfs/dbraw/zinc/31/57/12/1051315712.db2.gz PVMKTAUEMAZPCY-OAHLLOKOSA-N 1 0 314.841 4.018 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001172300667 1051331716 /nfs/dbraw/zinc/33/17/16/1051331716.db2.gz ZRNQSHSJFQQNNH-INIZCTEOSA-N 1 0 322.427 4.383 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001172300668 1051332127 /nfs/dbraw/zinc/33/21/27/1051332127.db2.gz ZRNQSHSJFQQNNH-MRXNPFEDSA-N 1 0 322.427 4.383 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCCCCCCCCO ZINC001172301485 1051332166 /nfs/dbraw/zinc/33/21/66/1051332166.db2.gz PMHUHDCVQAECQS-SFHVURJKSA-N 1 0 316.489 4.192 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC001172302501 1051332226 /nfs/dbraw/zinc/33/22/26/1051332226.db2.gz LHQUOOVKUBFCKX-AWEZNQCLSA-N 1 0 310.828 4.422 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc2ccccc2c1 ZINC001172302162 1051332316 /nfs/dbraw/zinc/33/23/16/1051332316.db2.gz FKLQWCKPMZNUQR-KRWDZBQOSA-N 1 0 314.432 4.475 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)n1cc(C[NH3+])c2cc(Cl)ccc21 ZINC001172301065 1051332538 /nfs/dbraw/zinc/33/25/38/1051332538.db2.gz KAJWJBXWRJFQQY-CYBMUJFWSA-N 1 0 323.827 4.429 20 30 DIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)CCC2 ZINC001172305088 1051333027 /nfs/dbraw/zinc/33/30/27/1051333027.db2.gz QAVANOCQJYYQPJ-QVKFZJNVSA-N 1 0 320.436 4.165 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Cl)cc1F ZINC001172302929 1051333454 /nfs/dbraw/zinc/33/34/54/1051333454.db2.gz SWEOQRMMKILNBL-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCCc2ccccc21 ZINC001172306102 1051334180 /nfs/dbraw/zinc/33/41/80/1051334180.db2.gz WNNVIRBFUBJPCT-OXJNMPFZSA-N 1 0 304.437 4.199 20 30 DIEDRO Cc1ccc([C@@H]2CCC[N@H+]2[C@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172311046 1051335383 /nfs/dbraw/zinc/33/53/83/1051335383.db2.gz NSBUPYUQPBNIBM-UZLBHIALSA-N 1 0 305.425 4.030 20 30 DIEDRO C[C@H]([NH3+])c1cn([C@@H](C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC001172308438 1051335918 /nfs/dbraw/zinc/33/59/18/1051335918.db2.gz KKMBNZSYZZKGMQ-GJZGRUSLSA-N 1 0 303.409 4.336 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172307974 1051336218 /nfs/dbraw/zinc/33/62/18/1051336218.db2.gz RSUHBKQURUXOAS-KKSFZXQISA-N 1 0 320.436 4.335 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001172314634 1051336938 /nfs/dbraw/zinc/33/69/38/1051336938.db2.gz KZRUUHYLKGIAHE-YWZLYKJASA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001172311803 1051338136 /nfs/dbraw/zinc/33/81/36/1051338136.db2.gz YOCKXCMOHAUPPJ-INIZCTEOSA-N 1 0 320.436 4.074 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC001172316534 1051338293 /nfs/dbraw/zinc/33/82/93/1051338293.db2.gz UFUXLZLZULVXMZ-CQSZACIVSA-N 1 0 321.449 4.231 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(Nc2ccc(F)c(C#N)c2F)cc1 ZINC001215745292 1051338748 /nfs/dbraw/zinc/33/87/48/1051338748.db2.gz NPXUHADJBQLZGL-UHFFFAOYSA-N 1 0 315.367 4.326 20 30 DIEDRO CC(=O)c1ccc(Nc2ccc(C[NH2+]CC(C)C)cc2)c(C#N)c1 ZINC001215746026 1051340373 /nfs/dbraw/zinc/34/03/73/1051340373.db2.gz DXRCNTXUIIDQSN-UHFFFAOYSA-N 1 0 321.424 4.250 20 30 DIEDRO COc1ccccc1[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172320017 1051341269 /nfs/dbraw/zinc/34/12/69/1051341269.db2.gz SOGXHIAWOJKHFJ-JKSUJKDBSA-N 1 0 308.425 4.191 20 30 DIEDRO Cc1ccc2c(CC[NH3+])cn([C@H](C)Cc3ccc(C#N)cc3)c2c1 ZINC001172292251 1051346991 /nfs/dbraw/zinc/34/69/91/1051346991.db2.gz DYXPFINMVKLNGE-MRXNPFEDSA-N 1 0 317.436 4.126 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001172290739 1051347347 /nfs/dbraw/zinc/34/73/47/1051347347.db2.gz FEWLOJREMRTRHD-ZDUSSCGKSA-N 1 0 318.342 4.298 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001172289758 1051347697 /nfs/dbraw/zinc/34/76/97/1051347697.db2.gz HNMQEEKWKILYOB-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO Cc1ccc(Cl)c(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1F ZINC001172290335 1051347769 /nfs/dbraw/zinc/34/77/69/1051347769.db2.gz OOILMWZQDHLWEB-ZDUSSCGKSA-N 1 0 316.807 4.380 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc2ccccc21 ZINC001172292432 1051347868 /nfs/dbraw/zinc/34/78/68/1051347868.db2.gz PCGKEHOYBJBNKE-INIZCTEOSA-N 1 0 300.405 4.432 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)cccc1Cl ZINC001172290684 1051347979 /nfs/dbraw/zinc/34/79/79/1051347979.db2.gz RGINRGHQZGFQSZ-LBPRGKRZSA-N 1 0 302.780 4.072 20 30 DIEDRO C[C@@H]([NH3+])Cc1cn([C@H](C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC001172296207 1051348703 /nfs/dbraw/zinc/34/87/03/1051348703.db2.gz GHRVOHFREIFMHK-HZPDHXFCSA-N 1 0 317.436 4.206 20 30 DIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC001172296900 1051348713 /nfs/dbraw/zinc/34/87/13/1051348713.db2.gz KAQQRCHHIGYGDY-MGPUTAFESA-N 1 0 308.425 4.239 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)NC(=[NH2+])c1cccc2ccccc21 ZINC001172298020 1051350839 /nfs/dbraw/zinc/35/08/39/1051350839.db2.gz SYYYBGOFJCWDRO-OAHLLOKOSA-N 1 0 313.404 4.258 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC001172298648 1051350945 /nfs/dbraw/zinc/35/09/45/1051350945.db2.gz ZTRFTYKSSHQTKR-FOIQADDNSA-N 1 0 303.409 4.102 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001172299240 1051351365 /nfs/dbraw/zinc/35/13/65/1051351365.db2.gz GIMULVYDUZSQIS-ZNOIYHFQSA-N 1 0 310.828 4.288 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(Cc2ccccc2F)CC1 ZINC001172299507 1051351415 /nfs/dbraw/zinc/35/14/15/1051351415.db2.gz LGHVMPQQMKMJPI-INIZCTEOSA-N 1 0 322.427 4.241 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccccc2F)CCC1 ZINC001172297425 1051351481 /nfs/dbraw/zinc/35/14/81/1051351481.db2.gz FCFVNLYSEKFCTC-OAHLLOKOSA-N 1 0 308.400 4.297 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172297661 1051351532 /nfs/dbraw/zinc/35/15/32/1051351532.db2.gz QSJCTMZWAJLNIM-IAGOWNOFSA-N 1 0 320.436 4.405 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2ccccc2F)CCC1 ZINC001172297423 1051351676 /nfs/dbraw/zinc/35/16/76/1051351676.db2.gz FCFVNLYSEKFCTC-HNNXBMFYSA-N 1 0 308.400 4.297 20 30 DIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC001172297157 1051351745 /nfs/dbraw/zinc/35/17/45/1051351745.db2.gz BKONSTGBOVYNBA-HNNXBMFYSA-N 1 0 308.400 4.297 20 30 DIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC001172299754 1051353641 /nfs/dbraw/zinc/35/36/41/1051353641.db2.gz OOGPRQAHHXVADJ-MRXNPFEDSA-N 1 0 322.427 4.241 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1nnc2cc(C)ccn21 ZINC001172346107 1051364149 /nfs/dbraw/zinc/36/41/49/1051364149.db2.gz GBXBGBNCFOWCSA-MRXNPFEDSA-N 1 0 302.466 4.266 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(N)(c2cccnc2)CC1 ZINC001172350113 1051366216 /nfs/dbraw/zinc/36/62/16/1051366216.db2.gz JRYRNOJJFLHIQM-LJQANCHMSA-N 1 0 317.521 4.471 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001172353747 1051369504 /nfs/dbraw/zinc/36/95/04/1051369504.db2.gz BCLLGRHKJYDLCC-SFHVURJKSA-N 1 0 318.509 4.128 20 30 DIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001172353907 1051369913 /nfs/dbraw/zinc/36/99/13/1051369913.db2.gz BXNXVCIDTFZWCD-ROUUACIJSA-N 1 0 321.509 4.100 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172353906 1051370167 /nfs/dbraw/zinc/37/01/67/1051370167.db2.gz BXNXVCIDTFZWCD-QZTJIDSGSA-N 1 0 321.509 4.100 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCc2onc(COC)c2C1 ZINC001172355677 1051370591 /nfs/dbraw/zinc/37/05/91/1051370591.db2.gz QSLWXLOEDRYUPR-OAHLLOKOSA-N 1 0 308.466 4.318 20 30 DIEDRO CCCCCCC[C@@H](CC)[N@H+](C)Cc1nnc2ccccn21 ZINC001172359590 1051371710 /nfs/dbraw/zinc/37/17/10/1051371710.db2.gz YQVKASGKLOEHHG-MRXNPFEDSA-N 1 0 302.466 4.300 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H]1CCCN(c2cnccn2)C1 ZINC001172359616 1051371829 /nfs/dbraw/zinc/37/18/29/1051371829.db2.gz ZBAWTBXHPXIGKP-ROUUACIJSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001172357156 1051372266 /nfs/dbraw/zinc/37/22/66/1051372266.db2.gz JCCIPENKSDACPH-ILXRZTDVSA-N 1 0 309.416 4.228 20 30 DIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(c2nncn2C)CC1 ZINC001172356391 1051372678 /nfs/dbraw/zinc/37/26/78/1051372678.db2.gz WEYFTPNDGQAWCT-QGZVFWFLSA-N 1 0 306.498 4.134 20 30 DIEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172362114 1051373926 /nfs/dbraw/zinc/37/39/26/1051373926.db2.gz SNAONYMLODRANX-OKZBNKHCSA-N 1 0 308.510 4.068 20 30 DIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(N(CC)C(C)=O)CC1 ZINC001172360060 1051374755 /nfs/dbraw/zinc/37/47/55/1051374755.db2.gz IQUOZFPEDLAMRF-SFHVURJKSA-N 1 0 310.526 4.458 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]CCCc1ccc(Br)cc1 ZINC001172476100 1051402204 /nfs/dbraw/zinc/40/22/04/1051402204.db2.gz GXRYOCZBERJYCB-ZDUSSCGKSA-N 1 0 309.251 4.054 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC001172477093 1051401935 /nfs/dbraw/zinc/40/19/35/1051401935.db2.gz VHXISZSJXNLDIE-ABAIWWIYSA-N 1 0 307.235 4.108 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CCc2c1cccc2Br ZINC001172485143 1051404586 /nfs/dbraw/zinc/40/45/86/1051404586.db2.gz MJYGFRSPZHXIHE-XHDPSFHLSA-N 1 0 307.235 4.108 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC001172480748 1051404639 /nfs/dbraw/zinc/40/46/39/1051404639.db2.gz XIACIAUMUQJXNM-NSHDSACASA-N 1 0 302.365 4.470 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](c1ccnc(C(F)(F)F)c1)C1CC1 ZINC001172484653 1051404646 /nfs/dbraw/zinc/40/46/46/1051404646.db2.gz BHJYHTOBKZZACH-ABAIWWIYSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@]1(c2ccccc2Cl)CCCCC1=O ZINC001172484566 1051404675 /nfs/dbraw/zinc/40/46/75/1051404675.db2.gz GOGZQMJZBUZUCK-KSSFIOAISA-N 1 0 318.848 4.350 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCOCC(C)C ZINC001172464339 1051415385 /nfs/dbraw/zinc/41/53/85/1051415385.db2.gz KUZDCQLRCWIRJE-DLBZAZTESA-N 1 0 305.462 4.353 20 30 DIEDRO CC(C)COCC[C@@H](C)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001172468449 1051416090 /nfs/dbraw/zinc/41/60/90/1051416090.db2.gz KYKOXQYMRNGHHS-QGZVFWFLSA-N 1 0 314.473 4.189 20 30 DIEDRO CC(C)COCC[C@H](C)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001172468444 1051416343 /nfs/dbraw/zinc/41/63/43/1051416343.db2.gz KYKOXQYMRNGHHS-KRWDZBQOSA-N 1 0 314.473 4.189 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](c1ccncc1C(F)(F)F)C1CC1 ZINC001172487774 1051416418 /nfs/dbraw/zinc/41/64/18/1051416418.db2.gz NJNYYJIZDKLXCO-ABAIWWIYSA-N 1 0 311.351 4.223 20 30 DIEDRO C[C@H](CCCC#N)[NH2+]C1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001172487698 1051416832 /nfs/dbraw/zinc/41/68/32/1051416832.db2.gz MSGSRFDSGFUPSF-OAHLLOKOSA-N 1 0 321.415 4.244 20 30 DIEDRO COc1ccc(CC2(C[NH2+][C@@H](C)CCCC#N)CCC2)cc1 ZINC001172492329 1051418325 /nfs/dbraw/zinc/41/83/25/1051418325.db2.gz MHULHPNSWBATRD-INIZCTEOSA-N 1 0 300.446 4.080 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](CC1CCOCC1)c1ccc(F)cc1 ZINC001172491474 1051418608 /nfs/dbraw/zinc/41/86/08/1051418608.db2.gz HBLAOYZWFUBUJP-KXBFYZLASA-N 1 0 318.436 4.355 20 30 DIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000797999277 1051418824 /nfs/dbraw/zinc/41/88/24/1051418824.db2.gz SHRMSSMKQMULOK-MJEQTWJJSA-N 1 0 309.837 4.068 20 30 DIEDRO C[C@@H](CCCC#N)[NH+]1CCC(Oc2ccc(Cl)cc2)CC1 ZINC001172491304 1051418923 /nfs/dbraw/zinc/41/89/23/1051418923.db2.gz DPFFYJDIFHPDBL-AWEZNQCLSA-N 1 0 306.837 4.266 20 30 DIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](CC1CCOCC1)c1ccccc1 ZINC001172492336 1051418956 /nfs/dbraw/zinc/41/89/56/1051418956.db2.gz MMYVKWZUBTXYGL-LPHOPBHVSA-N 1 0 300.446 4.216 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@H](CC1CCOCC1)c1ccccc1F ZINC001172491849 1051418964 /nfs/dbraw/zinc/41/89/64/1051418964.db2.gz KBVVTZQQCBSMPL-DNVCBOLYSA-N 1 0 318.436 4.355 20 30 DIEDRO C[C@H](CCCC#N)[N@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001172497217 1051419028 /nfs/dbraw/zinc/41/90/28/1051419028.db2.gz ACOSBFOSTYSDIT-DVMWJLJYSA-N 1 0 324.468 4.266 20 30 DIEDRO C[C@H](CCCC#N)[NH2+][C@@H](CC1CCOCC1)c1ccccc1F ZINC001172491848 1051419095 /nfs/dbraw/zinc/41/90/95/1051419095.db2.gz KBVVTZQQCBSMPL-BEFAXECRSA-N 1 0 318.436 4.355 20 30 DIEDRO CCCCCCCC[C@H](CC)[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001172501303 1051420134 /nfs/dbraw/zinc/42/01/34/1051420134.db2.gz BGYPVCVQSOLFSU-ROUUACIJSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1cncn1CCOC ZINC001172501545 1051420586 /nfs/dbraw/zinc/42/05/86/1051420586.db2.gz INFYNONDDUVTIB-KRWDZBQOSA-N 1 0 309.498 4.148 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001172501520 1051420671 /nfs/dbraw/zinc/42/06/71/1051420671.db2.gz IDXJPNUSGTWOPS-QZTJIDSGSA-N 1 0 321.509 4.153 20 30 DIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001172499323 1051421022 /nfs/dbraw/zinc/42/10/22/1051421022.db2.gz CWYLHOJUGARPIJ-RHSMWYFYSA-N 1 0 306.837 4.266 20 30 DIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001172504536 1051422503 /nfs/dbraw/zinc/42/25/03/1051422503.db2.gz FZGAFQNCZYGLDY-QZTJIDSGSA-N 1 0 306.498 4.444 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+]CC(=O)NCc1ccco1 ZINC001172507871 1051424440 /nfs/dbraw/zinc/42/44/40/1051424440.db2.gz CGUDNBBLICIKGP-MRXNPFEDSA-N 1 0 308.466 4.015 20 30 DIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001172505915 1051425188 /nfs/dbraw/zinc/42/51/88/1051425188.db2.gz XDPLQCCXQXZWCH-MRXNPFEDSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCC[C@@H](CCC)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001172510752 1051426128 /nfs/dbraw/zinc/42/61/28/1051426128.db2.gz IONLSIDAHUWCTP-IAGOWNOFSA-N 1 0 318.509 4.489 20 30 DIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001172509589 1051426169 /nfs/dbraw/zinc/42/61/69/1051426169.db2.gz ZRMIKPKKZPVBBP-QZTJIDSGSA-N 1 0 318.509 4.174 20 30 DIEDRO CCCCCCC[C@H](CCC)[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001172509585 1051426588 /nfs/dbraw/zinc/42/65/88/1051426588.db2.gz ZQZYCAHGPKLSKL-INIZCTEOSA-N 1 0 317.539 4.073 20 30 DIEDRO CCCCCCC[C@H](CCC)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001172512006 1051428189 /nfs/dbraw/zinc/42/81/89/1051428189.db2.gz XTVUUEMDZBDJBN-ZWKOTPCHSA-N 1 0 306.498 4.444 20 30 DIEDRO C[NH+]1C(C)(C)CC(Nc2cc(C#N)cc3[nH]ccc32)CC1(C)C ZINC001170454726 1051429791 /nfs/dbraw/zinc/42/97/91/1051429791.db2.gz VSYVIELBYVCICH-UHFFFAOYSA-N 1 0 310.445 4.103 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC001172561360 1051442595 /nfs/dbraw/zinc/44/25/95/1051442595.db2.gz VVKGNIUOYDFWBM-UXHICEINSA-N 1 0 320.436 4.253 20 30 DIEDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCCCC#N ZINC001172566008 1051444128 /nfs/dbraw/zinc/44/41/28/1051444128.db2.gz AWXBJBUIFFDRFY-LLVKDONJSA-N 1 0 300.780 4.223 20 30 DIEDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCC(C#N)CC1 ZINC001172570166 1051446437 /nfs/dbraw/zinc/44/64/37/1051446437.db2.gz HXXCWWLSFJJXHQ-LLVKDONJSA-N 1 0 312.791 4.175 20 30 DIEDRO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc21 ZINC001168859459 1051453821 /nfs/dbraw/zinc/45/38/21/1051453821.db2.gz OQNSCSPSJKMBQM-UHFFFAOYSA-N 1 0 309.840 4.485 20 30 DIEDRO COC(=O)[C@@H]1CCC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001172616049 1051461397 /nfs/dbraw/zinc/46/13/97/1051461397.db2.gz KETXKXSDENQDRB-SJLPKXTDSA-N 1 0 320.477 4.047 20 30 DIEDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCC(S)CC1 ZINC001172577698 1051462742 /nfs/dbraw/zinc/46/27/42/1051462742.db2.gz KYNVSVZODNCQKR-SNVBAGLBSA-N 1 0 319.848 4.334 20 30 DIEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172578797 1051463729 /nfs/dbraw/zinc/46/37/29/1051463729.db2.gz ROZUNVKUXZSURA-PWSUYJOCSA-N 1 0 300.780 4.221 20 30 DIEDRO CC(C)([NH2+]C1CC(C)(C)OC(C)(C)C1)c1ccc(C#N)cc1 ZINC001172643763 1051468692 /nfs/dbraw/zinc/46/86/92/1051468692.db2.gz BAAIFFOJMZMDJM-UHFFFAOYSA-N 1 0 300.446 4.119 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OCC)cc1 ZINC000766569302 1051490868 /nfs/dbraw/zinc/49/08/68/1051490868.db2.gz ADOWWCDOZZBZGP-KRWDZBQOSA-N 1 0 323.436 4.257 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(Cc3ccccc3)CC2)cc1 ZINC001172815991 1051510108 /nfs/dbraw/zinc/51/01/08/1051510108.db2.gz AMUQVFSRLYYRHN-UHFFFAOYSA-N 1 0 304.437 4.449 20 30 DIEDRO C#CCCC1(CC[NH2+]C2CCC(Cc3ccccc3)CC2)N=N1 ZINC001172823323 1051514356 /nfs/dbraw/zinc/51/43/56/1051514356.db2.gz QWSCUYJYVXHDML-UHFFFAOYSA-N 1 0 309.457 4.343 20 30 DIEDRO Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001172837801 1051523790 /nfs/dbraw/zinc/52/37/90/1051523790.db2.gz MXJAYYNHHLGIAO-GOSISDBHSA-N 1 0 310.828 4.167 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2ccncc2)cc1 ZINC000766605161 1051527563 /nfs/dbraw/zinc/52/75/63/1051527563.db2.gz RNTFDRJILVFGMM-HNNXBMFYSA-N 1 0 316.832 4.106 20 30 DIEDRO Cc1ccc2c(c1)C[C@@H]([NH2+]C1(c3ccc(C#N)cc3)CC1)CC2 ZINC001172842585 1051531126 /nfs/dbraw/zinc/53/11/26/1051531126.db2.gz NPOSIPTUOWDTHW-FQEVSTJZSA-N 1 0 302.421 4.003 20 30 DIEDRO CC1(C)C[C@H](Nc2cc(Cl)ccc2CC#N)C[C@@](C)(C[NH3+])C1 ZINC001169144833 1051535290 /nfs/dbraw/zinc/53/52/90/1051535290.db2.gz AKTALSORGRBOES-MAUKXSAKSA-N 1 0 319.880 4.362 20 30 DIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC#Cc1ccccc1 ZINC001172851432 1051536439 /nfs/dbraw/zinc/53/64/39/1051536439.db2.gz JEWABDHAEJXTCJ-AWEZNQCLSA-N 1 0 301.792 4.051 20 30 DIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+](C)Cc1cccc(C#N)c1 ZINC001172870782 1051556866 /nfs/dbraw/zinc/55/68/66/1051556866.db2.gz FESIDYKZCNRWTE-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001172876839 1051561867 /nfs/dbraw/zinc/56/18/67/1051561867.db2.gz CYDWYDJMJNXCNL-HOCLYGCPSA-N 1 0 324.921 4.061 20 30 DIEDRO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001172881225 1051563429 /nfs/dbraw/zinc/56/34/29/1051563429.db2.gz FPQKNPWSOHNWQZ-KBPBESRZSA-N 1 0 308.878 4.446 20 30 DIEDRO COc1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c(C#N)c1 ZINC001212690224 1051568911 /nfs/dbraw/zinc/56/89/11/1051568911.db2.gz YGLSNAKROXEDJF-UHFFFAOYSA-N 1 0 321.424 4.120 20 30 DIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178655041 1051581465 /nfs/dbraw/zinc/58/14/65/1051581465.db2.gz QULVKRCCQYMAHN-AWEZNQCLSA-N 1 0 312.369 4.010 20 30 DIEDRO C=CC[N@H+](C1CCC(OC(=O)c2ccccc2)CC1)C(C)(C)C ZINC001169305202 1051581939 /nfs/dbraw/zinc/58/19/39/1051581939.db2.gz BGXRAICOFOHDBN-UHFFFAOYSA-N 1 0 315.457 4.441 20 30 DIEDRO CC[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1cccc(C#N)c1 ZINC001173042688 1051591422 /nfs/dbraw/zinc/59/14/22/1051591422.db2.gz HZZPALOXLDJXPO-LJQANCHMSA-N 1 0 312.457 4.338 20 30 DIEDRO N#Cc1c(Cl)cccc1Nc1c[nH+]ccc1N1CCCCC1 ZINC001216127687 1051592102 /nfs/dbraw/zinc/59/21/02/1051592102.db2.gz ZJCKEAUNEOAEFO-UHFFFAOYSA-N 1 0 312.804 4.341 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c2ccccc21 ZINC001169372715 1051592996 /nfs/dbraw/zinc/59/29/96/1051592996.db2.gz AGZWVJJYFXEVRN-ZVIWMMDASA-N 1 0 318.424 4.440 20 30 DIEDRO CCCOC1CCC([NH2+]C(C)(C)c2ccc(C#N)cc2)CC1 ZINC001173090630 1051598265 /nfs/dbraw/zinc/59/82/65/1051598265.db2.gz DRURWWUDVWTSEO-UHFFFAOYSA-N 1 0 300.446 4.121 20 30 DIEDRO CCCOC1CCC([NH2+][C@H](CC)c2cccc(C#N)c2)CC1 ZINC001173094650 1051599845 /nfs/dbraw/zinc/59/98/45/1051599845.db2.gz QYOFDRVLQLQLRH-CTWPCTMYSA-N 1 0 300.446 4.337 20 30 DIEDRO C[C@](C#N)(Nc1cccc2c1CC[C@@H]2[NH3+])c1ccccc1Cl ZINC001169389326 1051606058 /nfs/dbraw/zinc/60/60/58/1051606058.db2.gz RHBADDOQAZLLJE-FUHWJXTLSA-N 1 0 311.816 4.137 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NC=CC(=O)C(F)(F)F)cc1 ZINC001169480213 1051623144 /nfs/dbraw/zinc/62/31/44/1051623144.db2.gz ALFRDLNHRURUOJ-BOLDSZDNSA-N 1 0 324.346 4.067 20 30 DIEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C ZINC001169494579 1051629283 /nfs/dbraw/zinc/62/92/83/1051629283.db2.gz LYXREFOQKMOBPS-HSMVNMDESA-N 1 0 310.363 4.491 20 30 DIEDRO N#Cc1cc(C[NH2+]C2CCC(Oc3ccccc3)CC2)cs1 ZINC001173198570 1051631604 /nfs/dbraw/zinc/63/16/04/1051631604.db2.gz YVBGSTDBWBDGSV-UHFFFAOYSA-N 1 0 312.438 4.100 20 30 DIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000493552060 1051634665 /nfs/dbraw/zinc/63/46/65/1051634665.db2.gz SYRABSYKLWLCAY-NHCUHLMSSA-N 1 0 304.437 4.254 20 30 DIEDRO C[NH2+]Cc1cccc(Nc2cc(Cl)c(C)cc2C#N)c1F ZINC001216226726 1051635729 /nfs/dbraw/zinc/63/57/29/1051635729.db2.gz WRJMMAQDZVUHDV-UHFFFAOYSA-N 1 0 303.768 4.122 20 30 DIEDRO C[NH+](C)Cc1cccc(Nc2ccc(C#N)c(Cl)c2F)c1F ZINC001216232411 1051639336 /nfs/dbraw/zinc/63/93/36/1051639336.db2.gz JEDPBEOQNYEELL-UHFFFAOYSA-N 1 0 321.758 4.295 20 30 DIEDRO C=CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001173231621 1051640585 /nfs/dbraw/zinc/64/05/85/1051640585.db2.gz NEFLDXCNVLUIGY-OAHLLOKOSA-N 1 0 302.418 4.347 20 30 DIEDRO CCO[C@@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1(CC)CC ZINC001169570920 1051646742 /nfs/dbraw/zinc/64/67/42/1051646742.db2.gz ZPPXMFIOPIJVLC-QZTJIDSGSA-N 1 0 319.876 4.265 20 30 DIEDRO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C1CC(C#N)C1 ZINC001173214125 1051649982 /nfs/dbraw/zinc/64/99/82/1051649982.db2.gz JMSXMSLFWMPBMN-ZRZPHAQCSA-N 1 0 304.437 4.489 20 30 DIEDRO CCc1ccc(C[C@@H](C)[N@@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001173253064 1051654591 /nfs/dbraw/zinc/65/45/91/1051654591.db2.gz PRRVFPHTCMJUKC-MRXNPFEDSA-N 1 0 304.437 4.110 20 30 DIEDRO CCc1ccc(C[C@@H](C)[N@@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001173253220 1051655242 /nfs/dbraw/zinc/65/52/42/1051655242.db2.gz RDWRFJLBLZAGPV-MRXNPFEDSA-N 1 0 304.437 4.110 20 30 DIEDRO C=CCc1cc(C)cnc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169684150 1051671731 /nfs/dbraw/zinc/67/17/31/1051671731.db2.gz GORGGEHIUYOVLN-GOSISDBHSA-N 1 0 307.441 4.359 20 30 DIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(CC#N)cc1C ZINC001169689685 1051673972 /nfs/dbraw/zinc/67/39/72/1051673972.db2.gz IALMYYXBEBAYEN-GOSISDBHSA-N 1 0 305.425 4.301 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CCN(C(C)=O)C1 ZINC001173310151 1051681737 /nfs/dbraw/zinc/68/17/37/1051681737.db2.gz QQIXVYRMICYCSE-RTBURBONSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001173309759 1051681795 /nfs/dbraw/zinc/68/17/95/1051681795.db2.gz KWJJZLUALWRYIN-IAGOWNOFSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001173310105 1051682132 /nfs/dbraw/zinc/68/21/32/1051682132.db2.gz PUVCJGZDDYZYKX-LJQANCHMSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CCC(=O)NC1 ZINC001173285665 1051688471 /nfs/dbraw/zinc/68/84/71/1051688471.db2.gz ZSQHJIJKLXSIGE-ROUUACIJSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C[C@H]1CCC(=O)NC1 ZINC001173285663 1051688690 /nfs/dbraw/zinc/68/86/90/1051688690.db2.gz ZSQHJIJKLXSIGE-MSOLQXFVSA-N 1 0 310.526 4.412 20 30 DIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CCNC(=O)C1 ZINC001173285165 1051688809 /nfs/dbraw/zinc/68/88/09/1051688809.db2.gz OUWIAXCYMFKVTB-MSOLQXFVSA-N 1 0 310.526 4.412 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001173325760 1051692638 /nfs/dbraw/zinc/69/26/38/1051692638.db2.gz MKJHUNLGNWJCKA-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO C=CCOC1CCC([N@@H+](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001173326529 1051694659 /nfs/dbraw/zinc/69/46/59/1051694659.db2.gz JJTLHBRWMRUSIA-LSJNQWAISA-N 1 0 303.446 4.202 20 30 DIEDRO C=CCOC1CCC([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001173326711 1051694782 /nfs/dbraw/zinc/69/47/82/1051694782.db2.gz NYWXVHJTQXRHRY-IPJUCJBFSA-N 1 0 303.421 4.129 20 30 DIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2c2cccc(OC)c2)CC1 ZINC001173326761 1051694855 /nfs/dbraw/zinc/69/48/55/1051694855.db2.gz PTFSSSDSQRGGNU-QLOJAFMTSA-N 1 0 315.457 4.346 20 30 DIEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1C1CCC(CC#N)CC1 ZINC001173328997 1051694900 /nfs/dbraw/zinc/69/49/00/1051694900.db2.gz XGCPJTMNEHFKSF-UQPPLGOBSA-N 1 0 308.429 4.215 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001173330133 1051695076 /nfs/dbraw/zinc/69/50/76/1051695076.db2.gz VGRPMFVURLUNDD-UHFFFAOYSA-N 1 0 314.326 4.407 20 30 DIEDRO C=CCOC1CCC(n2cc(C[NH2+]C)c3cc(C)ccc32)CC1 ZINC001173326555 1051695390 /nfs/dbraw/zinc/69/53/90/1051695390.db2.gz KEQKJJPIFADHGP-UHFFFAOYSA-N 1 0 312.457 4.355 20 30 DIEDRO N#CCC1CCC([NH2+]CCc2ccccc2C(F)(F)F)CC1 ZINC001173329025 1051695704 /nfs/dbraw/zinc/69/57/04/1051695704.db2.gz YFAFDODPMSCVQX-UHFFFAOYSA-N 1 0 310.363 4.310 20 30 DIEDRO C[N@H+](Cc1cccc(Br)c1)C1CCC(CC#N)CC1 ZINC001173331560 1051697022 /nfs/dbraw/zinc/69/70/22/1051697022.db2.gz PXKWJLBZYDDSHV-UHFFFAOYSA-N 1 0 321.262 4.353 20 30 DIEDRO N#CCC1CCC([NH2+]Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001173331141 1051697125 /nfs/dbraw/zinc/69/71/25/1051697125.db2.gz ZIWCUSFQUMQRDR-UHFFFAOYSA-N 1 0 305.425 4.311 20 30 DIEDRO Cc1cc(C[N@H+](Cc2ccccc2)C2CCC(CC#N)CC2)on1 ZINC001173336780 1051697176 /nfs/dbraw/zinc/69/71/76/1051697176.db2.gz LJDSKGCLZAPTLG-UHFFFAOYSA-N 1 0 323.440 4.458 20 30 DIEDRO N#CCC1CCC([NH+]2CCC3(CCc4ccccc4O3)CC2)CC1 ZINC001173336977 1051697822 /nfs/dbraw/zinc/69/78/22/1051697822.db2.gz UAVQWDRAPVBXRR-UHFFFAOYSA-N 1 0 324.468 4.319 20 30 DIEDRO Cc1ccccc1O[C@H]1CCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173340314 1051699633 /nfs/dbraw/zinc/69/96/33/1051699633.db2.gz ZWCDRDJJFVINTE-ACBHZAAOSA-N 1 0 312.457 4.311 20 30 DIEDRO COc1ccc(C2CC[NH+](C3CCC(CC#N)CC3)CC2)cc1 ZINC001173339768 1051699775 /nfs/dbraw/zinc/69/97/75/1051699775.db2.gz SXJFPQDLZRRMBR-UHFFFAOYSA-N 1 0 312.457 4.347 20 30 DIEDRO N#CCC1CCC([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001173340327 1051701550 /nfs/dbraw/zinc/70/15/50/1051701550.db2.gz VAMOILMOJXPLLN-XUJQIHCRSA-N 1 0 300.421 4.305 20 30 DIEDRO CCCCCCCCCC[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001169791862 1051702046 /nfs/dbraw/zinc/70/20/46/1051702046.db2.gz OBSDXHJYAJHMRY-MOPGFXCFSA-N 1 0 311.510 4.397 20 30 DIEDRO C=C[C@](C)(CC)COC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805926056 1051705024 /nfs/dbraw/zinc/70/50/24/1051705024.db2.gz JWDGDDQJZVAAIR-HXUWFJFHSA-N 1 0 315.457 4.044 20 30 DIEDRO C=C[C@@](C)(CC)COC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805926055 1051705447 /nfs/dbraw/zinc/70/54/47/1051705447.db2.gz JWDGDDQJZVAAIR-FQEVSTJZSA-N 1 0 315.457 4.044 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001173314702 1051708690 /nfs/dbraw/zinc/70/86/90/1051708690.db2.gz UJUOUTUTFQDWDF-JRSKDTKFSA-N 1 0 307.384 4.056 20 30 DIEDRO C=CCOC1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC001173315085 1051708757 /nfs/dbraw/zinc/70/87/57/1051708757.db2.gz GWBLOVLVKGLXFK-UHFFFAOYSA-N 1 0 319.876 4.475 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC001173315386 1051709764 /nfs/dbraw/zinc/70/97/64/1051709764.db2.gz MFMYKROVVUIZCB-GRERDSQWSA-N 1 0 322.452 4.274 20 30 DIEDRO C=CCOC1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC001173315998 1051710268 /nfs/dbraw/zinc/71/02/68/1051710268.db2.gz VMGORMUHIAXXRB-UHFFFAOYSA-N 1 0 305.487 4.023 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CC1 ZINC001173318079 1051710386 /nfs/dbraw/zinc/71/03/86/1051710386.db2.gz PKKVIMISGGIXRL-JLAWEPINSA-N 1 0 319.876 4.301 20 30 DIEDRO C=CC[C@H]1[N@H+](Cc2csc(C(=O)OC)c2)CCCC1(C)C ZINC001169845159 1051711073 /nfs/dbraw/zinc/71/10/73/1051711073.db2.gz SOZMBWMQENENDO-OAHLLOKOSA-N 1 0 307.459 4.101 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001173315915 1051711149 /nfs/dbraw/zinc/71/11/49/1051711149.db2.gz SOERMYNIIAQKRD-HTWSVDAQSA-N 1 0 305.849 4.431 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)Cc2cccc(F)c2)CC1 ZINC001173318603 1051711180 /nfs/dbraw/zinc/71/11/80/1051711180.db2.gz FKKTWTULWRPWOJ-UHFFFAOYSA-N 1 0 305.437 4.250 20 30 DIEDRO C=CC[C@H]1[N@@H+](C[C@@H](O)CCc2ccccc2)CCCC1(C)C ZINC001169843501 1051711286 /nfs/dbraw/zinc/71/12/86/1051711286.db2.gz FKETYCBAIJXPSD-RBUKOAKNSA-N 1 0 301.474 4.047 20 30 DIEDRO C=CCOC1CCC([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001173318606 1051711476 /nfs/dbraw/zinc/71/14/76/1051711476.db2.gz FNHSYNTUOWHNDN-DAWZGUTISA-N 1 0 320.864 4.290 20 30 DIEDRO C=CCOC1CCC([NH2+]C(C)(C)c2cccc(OC)c2)CC1 ZINC001173316343 1051711905 /nfs/dbraw/zinc/71/19/05/1051711905.db2.gz HBWLORDMCRDYLP-UHFFFAOYSA-N 1 0 303.446 4.034 20 30 DIEDRO C=CCOC1CCC([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001173319475 1051713297 /nfs/dbraw/zinc/71/32/97/1051713297.db2.gz JGVRYWSUUWNXDF-DQPZFDDXSA-N 1 0 321.848 4.267 20 30 DIEDRO C=C[C@@H](CC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000152544007 1051722011 /nfs/dbraw/zinc/72/20/11/1051722011.db2.gz KHQYBSLNXVMYGN-KRWDZBQOSA-N 1 0 308.425 4.047 20 30 DIEDRO C#CCCC[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000766901528 1051733216 /nfs/dbraw/zinc/73/32/16/1051733216.db2.gz ZZCGZTYPEUNDIH-AWEZNQCLSA-N 1 0 324.287 4.331 20 30 DIEDRO C[C@H]1CCC[C@@H](C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC001169953452 1051736259 /nfs/dbraw/zinc/73/62/59/1051736259.db2.gz QUJOQQYQAHNKQH-FUHWJXTLSA-N 1 0 312.457 4.228 20 30 DIEDRO CC1(C)CC(=O)C=C(Nc2ccc(F)c(C[NH+]3CCCC3)c2)C1 ZINC001169953610 1051737502 /nfs/dbraw/zinc/73/75/02/1051737502.db2.gz WFJFJGIGSXBXNS-UHFFFAOYSA-N 1 0 316.420 4.106 20 30 DIEDRO C#CCCC[N@@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000766907109 1051738767 /nfs/dbraw/zinc/73/87/67/1051738767.db2.gz UJQWDQLYXAWLGQ-OAQYLSRUSA-N 1 0 305.421 4.208 20 30 DIEDRO C#CCCC[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000766923434 1051740123 /nfs/dbraw/zinc/74/01/23/1051740123.db2.gz YQJCVUOJUXWBKS-QGZVFWFLSA-N 1 0 309.457 4.210 20 30 DIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000766906564 1051740313 /nfs/dbraw/zinc/74/03/13/1051740313.db2.gz RPPDFTBWEZYZRX-UHFFFAOYSA-N 1 0 324.399 4.086 20 30 DIEDRO C#CCCC[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000766901378 1051740697 /nfs/dbraw/zinc/74/06/97/1051740697.db2.gz XPQYWNVRWQQXJQ-UHFFFAOYSA-N 1 0 309.457 4.135 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806174794 1051745932 /nfs/dbraw/zinc/74/59/32/1051745932.db2.gz NSSYNVSZYITMSH-CABCVRRESA-N 1 0 301.352 4.073 20 30 DIEDRO C=C(C)C[C@H](C)C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000184747356 1051746247 /nfs/dbraw/zinc/74/62/47/1051746247.db2.gz VELMEKKKEAESCD-HNNXBMFYSA-N 1 0 300.446 4.199 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806174437 1051746581 /nfs/dbraw/zinc/74/65/81/1051746581.db2.gz JANHPCALJINADQ-CVEARBPZSA-N 1 0 315.379 4.463 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)c1 ZINC000806145406 1051751902 /nfs/dbraw/zinc/75/19/02/1051751902.db2.gz BLCBRLVWFQDFOK-KBAYOESNSA-N 1 0 300.446 4.282 20 30 DIEDRO N#CCC[C@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)c1ccccc1 ZINC000806149455 1051755149 /nfs/dbraw/zinc/75/51/49/1051755149.db2.gz SXAQQNGVWOVZKL-JKSUJKDBSA-N 1 0 311.816 4.357 20 30 DIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(OCC3CCC3)c2)CC1 ZINC001173590736 1051755425 /nfs/dbraw/zinc/75/54/25/1051755425.db2.gz MFOFSEOUQPWGKK-UHFFFAOYSA-N 1 0 312.457 4.428 20 30 DIEDRO COCCC1([NH2+]C2CCC(C)(C#N)CC2)CCC(F)(F)CC1 ZINC001173591438 1051755672 /nfs/dbraw/zinc/75/56/72/1051755672.db2.gz QHJXQMYXMDWSDB-UHFFFAOYSA-N 1 0 314.420 4.033 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001173592206 1051756086 /nfs/dbraw/zinc/75/60/86/1051756086.db2.gz KCLIWJOJIUDMQG-VEDCXYSMSA-N 1 0 319.452 4.366 20 30 DIEDRO CC1(C#N)CCC([NH2+]CCC(C(F)(F)F)C(F)(F)F)CC1 ZINC001173592434 1051756303 /nfs/dbraw/zinc/75/63/03/1051756303.db2.gz ODEQTYABVOVVAB-UHFFFAOYSA-N 1 0 316.289 4.179 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001173596782 1051757105 /nfs/dbraw/zinc/75/71/05/1051757105.db2.gz CKJNDUNRDRLTCZ-ADKAHSJRSA-N 1 0 300.471 4.249 20 30 DIEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001173596677 1051757304 /nfs/dbraw/zinc/75/73/04/1051757304.db2.gz BGKTVLOKMSBAME-JLAWEPINSA-N 1 0 300.421 4.305 20 30 DIEDRO CC1(C#N)CCC(n2c3ccc(F)cc3c3c2CC[NH2+]C3)CC1 ZINC001173598999 1051757705 /nfs/dbraw/zinc/75/77/05/1051757705.db2.gz XVCIZRIKQHYTIV-UHFFFAOYSA-N 1 0 311.404 4.071 20 30 DIEDRO Cc1ccccc1O[C@H]1CCC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596433 1051758103 /nfs/dbraw/zinc/75/81/03/1051758103.db2.gz WWQBAIPJLDQEDE-FDYSRKEFSA-N 1 0 312.457 4.311 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC3(CC(OCC4CC4)C3)CC2)CC1 ZINC001173596008 1051758505 /nfs/dbraw/zinc/75/85/05/1051758505.db2.gz GKOHVPJXXKGQEN-UHFFFAOYSA-N 1 0 316.489 4.130 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000806167978 1051768703 /nfs/dbraw/zinc/76/87/03/1051768703.db2.gz PEWFHTVKWYQJTM-MRXNPFEDSA-N 1 0 316.445 4.430 20 30 DIEDRO C=CCCCCCC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000806168557 1051768924 /nfs/dbraw/zinc/76/89/24/1051768924.db2.gz RIODWHLAMLYZGF-IBGZPJMESA-N 1 0 315.436 4.375 20 30 DIEDRO N#Cc1coc(C[NH2+]C2CCC3(CCc4ccccc43)CC2)c1 ZINC001173686772 1051779078 /nfs/dbraw/zinc/77/90/78/1051779078.db2.gz WZTWQZUNNADYOT-UHFFFAOYSA-N 1 0 306.409 4.068 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173690345 1051780536 /nfs/dbraw/zinc/78/05/36/1051780536.db2.gz RHRLCOFECYWQJD-OCDPCBSRSA-N 1 0 308.469 4.439 20 30 DIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000185802703 1051784607 /nfs/dbraw/zinc/78/46/07/1051784607.db2.gz AHLOZLLNFIABLZ-PKOBYXMFSA-N 1 0 320.436 4.404 20 30 DIEDRO CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000185778497 1051784976 /nfs/dbraw/zinc/78/49/76/1051784976.db2.gz NZJSCRMZYONYGW-NVXWUHKLSA-N 1 0 316.445 4.046 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000185847306 1051786499 /nfs/dbraw/zinc/78/64/99/1051786499.db2.gz QDILZDHAFKSWID-ZWNOBZJWSA-N 1 0 314.763 4.113 20 30 DIEDRO N#Cc1ccc(Nc2c[nH+]cn2Cc2ccccc2)cc1Cl ZINC001216552119 1051813765 /nfs/dbraw/zinc/81/37/65/1051813765.db2.gz JBYOSYMXJAIXSI-UHFFFAOYSA-N 1 0 308.772 4.200 20 30 DIEDRO N#Cc1ccc(Cl)c(Nc2c[nH+]cn2Cc2ccccc2)c1 ZINC001216553667 1051815926 /nfs/dbraw/zinc/81/59/26/1051815926.db2.gz KEKHEUWHUFPNDK-UHFFFAOYSA-N 1 0 308.772 4.200 20 30 DIEDRO C[C@H](C#N)c1ccc(Nc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001216553468 1051815997 /nfs/dbraw/zinc/81/59/97/1051815997.db2.gz BTKHPNQILKGASQ-OAHLLOKOSA-N 1 0 302.381 4.302 20 30 DIEDRO Cc1cc(C)c(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(C)c1 ZINC001173842906 1051818060 /nfs/dbraw/zinc/81/80/60/1051818060.db2.gz HGEMFGCDAGJAQT-UHFFFAOYSA-N 1 0 311.454 4.277 20 30 DIEDRO Cc1cc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)ccc1C#N ZINC000767691948 1051840239 /nfs/dbraw/zinc/84/02/39/1051840239.db2.gz QHHSJKUMAVDUTQ-IBGZPJMESA-N 1 0 318.420 4.403 20 30 DIEDRO C#CCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000742383292 1051858114 /nfs/dbraw/zinc/85/81/14/1051858114.db2.gz XSSIORXASRKZNP-UHFFFAOYSA-N 1 0 318.214 4.212 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC(C)(C)C2)c1 ZINC000767919780 1051862916 /nfs/dbraw/zinc/86/29/16/1051862916.db2.gz BXGKHEXHHFOQEM-IAGOWNOFSA-N 1 0 300.446 4.426 20 30 DIEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000767936537 1051866139 /nfs/dbraw/zinc/86/61/39/1051866139.db2.gz VEZDEOMXMQXNSB-OAQYLSRUSA-N 1 0 320.436 4.186 20 30 DIEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000767936536 1051866681 /nfs/dbraw/zinc/86/66/81/1051866681.db2.gz VEZDEOMXMQXNSB-NRFANRHFSA-N 1 0 320.436 4.186 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494287845 1051871085 /nfs/dbraw/zinc/87/10/85/1051871085.db2.gz MWHWYDBEDUNSMQ-LFIBNONCSA-N 1 0 306.409 4.102 20 30 DIEDRO C[C@H](c1cccc(F)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609195500 1051882953 /nfs/dbraw/zinc/88/29/53/1051882953.db2.gz HAWJAPYCNGCOEZ-OAHLLOKOSA-N 1 0 324.399 4.302 20 30 DIEDRO CCC[N@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768160755 1051889054 /nfs/dbraw/zinc/88/90/54/1051889054.db2.gz OEUZILKHXNURAF-QGZVFWFLSA-N 1 0 308.425 4.390 20 30 DIEDRO C=CCC(CC=C)C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000494460982 1051897412 /nfs/dbraw/zinc/89/74/12/1051897412.db2.gz DYAQUDSMDYOEAJ-UHFFFAOYSA-N 1 0 312.457 4.365 20 30 DIEDRO C#CCCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000768237587 1051907567 /nfs/dbraw/zinc/90/75/67/1051907567.db2.gz QVCAYPJMUYUVEH-KRWDZBQOSA-N 1 0 323.436 4.290 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C2CC2)o1 ZINC000768258167 1051909277 /nfs/dbraw/zinc/90/92/77/1051909277.db2.gz RTGFJNUPGGLZLK-OAHLLOKOSA-N 1 0 310.397 4.044 20 30 DIEDRO C[C@H](Cc1ccco1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768401027 1051925605 /nfs/dbraw/zinc/92/56/05/1051925605.db2.gz JFGBJPSDDCHOAU-PPDQVPDSSA-N 1 0 308.425 4.204 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC)cc1O ZINC000768485830 1051934091 /nfs/dbraw/zinc/93/40/91/1051934091.db2.gz ZPFGSUJJAMELBM-UHFFFAOYSA-N 1 0 324.424 4.075 20 30 DIEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(Br)cc1 ZINC000405160641 1051948979 /nfs/dbraw/zinc/94/89/79/1051948979.db2.gz OIFNYSVMXRABDD-GFCCVEGCSA-N 1 0 307.235 4.184 20 30 DIEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(Br)cc1 ZINC000405160643 1051949072 /nfs/dbraw/zinc/94/90/72/1051949072.db2.gz OIFNYSVMXRABDD-LBPRGKRZSA-N 1 0 307.235 4.184 20 30 DIEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191529962 1051975984 /nfs/dbraw/zinc/97/59/84/1051975984.db2.gz XAZVQGWXBVNXIL-WFASDCNBSA-N 1 0 303.381 4.271 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000191530004 1051976003 /nfs/dbraw/zinc/97/60/03/1051976003.db2.gz XAZVQGWXBVNXIL-IUODEOHRSA-N 1 0 303.381 4.271 20 30 DIEDRO CCCCCCCCCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000768921041 1051980586 /nfs/dbraw/zinc/98/05/86/1051980586.db2.gz WPQLSRDEHUQCHU-UHFFFAOYSA-N 1 0 323.525 4.007 20 30 DIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1OC ZINC000324326789 1051992657 /nfs/dbraw/zinc/99/26/57/1051992657.db2.gz VTUOQZASPIJFON-DNVCBOLYSA-N 1 0 324.424 4.399 20 30 DIEDRO Fc1ccccc1[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001170548511 1051994489 /nfs/dbraw/zinc/99/44/89/1051994489.db2.gz FZCDASARTLMZEK-MRXNPFEDSA-N 1 0 313.803 4.320 20 30 DIEDRO Cc1cccc2c1CC[N@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000769339607 1052027953 /nfs/dbraw/zinc/02/79/53/1052027953.db2.gz TVTQVVBUACLPPJ-UHFFFAOYSA-N 1 0 320.436 4.236 20 30 DIEDRO N#Cc1csc(C[NH+]2CCC(c3cccc(F)c3)CC2)c1 ZINC000769388492 1052036752 /nfs/dbraw/zinc/03/67/52/1052036752.db2.gz HGWXCJUQPOWRRA-UHFFFAOYSA-N 1 0 300.402 4.138 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)cc1 ZINC000769427767 1052047270 /nfs/dbraw/zinc/04/72/70/1052047270.db2.gz WYKQYUXVQDMHDX-MRXNPFEDSA-N 1 0 320.436 4.271 20 30 DIEDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769488497 1052051799 /nfs/dbraw/zinc/05/17/99/1052051799.db2.gz QWEAEEQCMRHPPV-FXAWDEMLSA-N 1 0 322.452 4.431 20 30 DIEDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769484490 1052052547 /nfs/dbraw/zinc/05/25/47/1052052547.db2.gz KDHNBVBKCITBBJ-FUHWJXTLSA-N 1 0 300.446 4.378 20 30 DIEDRO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000769463200 1052060096 /nfs/dbraw/zinc/06/00/96/1052060096.db2.gz OIUCTPSCVLRVJK-MSOLQXFVSA-N 1 0 322.452 4.349 20 30 DIEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769466167 1052061859 /nfs/dbraw/zinc/06/18/59/1052061859.db2.gz IIPNYDAJJALVCO-TXPKVOOTSA-N 1 0 300.446 4.378 20 30 DIEDRO N#Cc1ccc(-c2ccccc2Nc2ccc3[nH+]ccn3c2)nc1 ZINC001174279758 1052066601 /nfs/dbraw/zinc/06/66/01/1052066601.db2.gz GOPPHUWVMMAUQJ-UHFFFAOYSA-N 1 0 311.348 4.012 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)cc1 ZINC000769503370 1052070083 /nfs/dbraw/zinc/07/00/83/1052070083.db2.gz IWOXUBYHCSQEHJ-DYESRHJHSA-N 1 0 320.436 4.141 20 30 DIEDRO CC[N@H+](CC[C@H](O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000808711416 1052072745 /nfs/dbraw/zinc/07/27/45/1052072745.db2.gz GCEAKQPHKXEBKG-JXFKEZNVSA-N 1 0 308.425 4.065 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)[C@H]1c1ccccc1 ZINC000769539761 1052077934 /nfs/dbraw/zinc/07/79/34/1052077934.db2.gz MQDOJRILNLXHTF-DYESRHJHSA-N 1 0 319.452 4.229 20 30 DIEDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769536603 1052078540 /nfs/dbraw/zinc/07/85/40/1052078540.db2.gz BXCXUXSQCHUEQT-AEFFLSMTSA-N 1 0 300.446 4.378 20 30 DIEDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)c1O ZINC000808717993 1052078762 /nfs/dbraw/zinc/07/87/62/1052078762.db2.gz JQZBAOCIZLDXOI-IYXRBSQSSA-N 1 0 306.837 4.335 20 30 DIEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000769732736 1052093690 /nfs/dbraw/zinc/09/36/90/1052093690.db2.gz IUFGYPKQCFNMSZ-UHFFFAOYSA-N 1 0 323.824 4.400 20 30 DIEDRO Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(Cl)c(C#N)c1 ZINC001174403027 1052124259 /nfs/dbraw/zinc/12/42/59/1052124259.db2.gz AFORFFDCUBKAKA-UHFFFAOYSA-N 1 0 300.724 4.051 20 30 DIEDRO C=CCCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000769987982 1052136938 /nfs/dbraw/zinc/13/69/38/1052136938.db2.gz LMXZQANUVXGBBZ-OAHLLOKOSA-N 1 0 322.880 4.184 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000769992829 1052139439 /nfs/dbraw/zinc/13/94/39/1052139439.db2.gz DMONEWYXSHMHLV-OAHLLOKOSA-N 1 0 323.864 4.021 20 30 DIEDRO c1ccc(/N=C(/OC2CC3(C2)CC[NH2+]CC3)c2ccccc2)cc1 ZINC001217799695 1052144600 /nfs/dbraw/zinc/14/46/00/1052144600.db2.gz XGLVTFCHSZHXPT-BSYVCWPDSA-N 1 0 320.436 4.314 20 30 DIEDRO c1ccc(/N=C(/O[C@@H]2CCC23CC[NH2+]CC3)c2ccccc2)cc1 ZINC001217796975 1052144790 /nfs/dbraw/zinc/14/47/90/1052144790.db2.gz VHWBZHAPLABCTP-VKQKAZQBSA-N 1 0 320.436 4.314 20 30 DIEDRO c1ccc(/N=C(/O[C@@H]2CCC[C@]23CC[NH2+]C3)c2ccccc2)cc1 ZINC001217804501 1052146315 /nfs/dbraw/zinc/14/63/15/1052146315.db2.gz XZOYBIPEDMUCGB-RUXANZRJSA-N 1 0 320.436 4.314 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@H](C)CCCC(F)(F)F)c1 ZINC000494841901 1052148434 /nfs/dbraw/zinc/14/84/34/1052148434.db2.gz IRDZBHAVJNEMQP-CYBMUJFWSA-N 1 0 301.352 4.462 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1OC1=Nc2ccccc2Sc2ccccc21 ZINC001217833596 1052151188 /nfs/dbraw/zinc/15/11/88/1052151188.db2.gz XONDBHXEULGCMB-INIZCTEOSA-N 1 0 322.433 4.164 20 30 DIEDRO C=C1CC[NH2+]C[C@H]1OC1=Nc2ccccc2Sc2ccccc21 ZINC001217833598 1052151342 /nfs/dbraw/zinc/15/13/42/1052151342.db2.gz XONDBHXEULGCMB-MRXNPFEDSA-N 1 0 322.433 4.164 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1OC(Cl)(c1ccccc1)c1ccccc1 ZINC001217833770 1052151449 /nfs/dbraw/zinc/15/14/49/1052151449.db2.gz ZSDVKFXWJINBOJ-SFHVURJKSA-N 1 0 313.828 4.061 20 30 DIEDRO C[Si](C)(C)C#C[C@H](OCc1cccc(C[NH3+])c1)c1ccccc1 ZINC001217835418 1052151634 /nfs/dbraw/zinc/15/16/34/1052151634.db2.gz XYDNOSXANMKAJE-FQEVSTJZSA-N 1 0 323.512 4.284 20 30 DIEDRO CC[C@H](c1ccccc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757030 1052151797 /nfs/dbraw/zinc/15/17/97/1052151797.db2.gz GWXRHGXRSQXNAO-UXHICEINSA-N 1 0 306.409 4.083 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1OCCC(c1ccccc1)c1ccccc1 ZINC001217833005 1052151966 /nfs/dbraw/zinc/15/19/66/1052151966.db2.gz RWYPWFIZMXFNNN-NRFANRHFSA-N 1 0 307.437 4.143 20 30 DIEDRO N#Cc1cccc([C@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)c1 ZINC000761757763 1052152500 /nfs/dbraw/zinc/15/25/00/1052152500.db2.gz BVTCUYCMFBZRRB-LEWJYISDSA-N 1 0 318.420 4.009 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C)[C@@H](OCC[C@@H]([NH3+])c2ccc(OC)cc2)C1 ZINC001217836949 1052153059 /nfs/dbraw/zinc/15/30/59/1052153059.db2.gz JSNRNAGHUKNQAN-RLLQIKCJSA-N 1 0 315.457 4.403 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C)[C@H](OCC[C@H]([NH3+])c2ccc(OC)cc2)C1 ZINC001217836950 1052153182 /nfs/dbraw/zinc/15/31/82/1052153182.db2.gz JSNRNAGHUKNQAN-YZGWKJHDSA-N 1 0 315.457 4.403 20 30 DIEDRO F[C@H]1[C@H]2CC[C@@H](C[C@H]1O/C(=N/c1ccccc1)c1ccccc1)[NH2+]2 ZINC001217858817 1052156619 /nfs/dbraw/zinc/15/66/19/1052156619.db2.gz WBQKKFRWABFGMT-UNBVCGMYSA-N 1 0 324.399 4.013 20 30 DIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCCCCCCOc1ccccc1 ZINC001217932943 1052173754 /nfs/dbraw/zinc/17/37/54/1052173754.db2.gz FHJQBHLXGVMYHH-WOJBJXKFSA-N 1 0 317.473 4.339 20 30 DIEDRO CC1(C)C[C@@H](O/C(=N/c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC001217939199 1052175102 /nfs/dbraw/zinc/17/51/02/1052175102.db2.gz UXIPSIYHXLGZST-LOFJQREMSA-N 1 0 308.425 4.312 20 30 DIEDRO O=C(/C=C/c1ccccc1O[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001217970548 1052177695 /nfs/dbraw/zinc/17/76/95/1052177695.db2.gz NJUABWPJMFSSMM-KQDNUWKFSA-N 1 0 321.420 4.104 20 30 DIEDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(/N=C/c2ccccc2)cc1 ZINC001217990158 1052181094 /nfs/dbraw/zinc/18/10/94/1052181094.db2.gz HTQCIDJVGGDLDK-USJTWOEQSA-N 1 0 308.425 4.204 20 30 DIEDRO O=C(/C=C/c1ccccc1O[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC001217994246 1052182642 /nfs/dbraw/zinc/18/26/42/1052182642.db2.gz GNAMOWBDASEGBU-HYSAVQALSA-N 1 0 321.420 4.104 20 30 DIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OCC)c(F)c1 ZINC000494961645 1052183075 /nfs/dbraw/zinc/18/30/75/1052183075.db2.gz UWMWBQBEVRTBDC-UHFFFAOYSA-N 1 0 324.399 4.284 20 30 DIEDRO Fc1ccc(/N=C/c2ccc(O[C@@H]3CCC[NH2+]CC3)cc2)cc1 ZINC001217997804 1052183992 /nfs/dbraw/zinc/18/39/92/1052183992.db2.gz XGYXXBIZMOXPMM-SDLXJUDFSA-N 1 0 312.388 4.097 20 30 DIEDRO C[C@@H](Oc1ccccc1C=Nc1ccccc1)C1CC[NH2+]CC1 ZINC001218004085 1052184148 /nfs/dbraw/zinc/18/41/48/1052184148.db2.gz BRZYJVFXDNDBHC-MRXNPFEDSA-N 1 0 308.425 4.204 20 30 DIEDRO C[C@@H]1C[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)CC[NH2+]1 ZINC001218052764 1052189869 /nfs/dbraw/zinc/18/98/69/1052189869.db2.gz CSGLCIXHXRSTLK-URWYZWATSA-N 1 0 321.420 4.102 20 30 DIEDRO C[C@@H]1C[C@H](Oc2ccccc2C=Nc2ccc(F)cc2)CC[NH2+]1 ZINC001218059694 1052191197 /nfs/dbraw/zinc/19/11/97/1052191197.db2.gz KNOSVUJHLQDIIZ-RDTXWAMCSA-N 1 0 312.388 4.096 20 30 DIEDRO C[C@H]1C[C@@H](Oc2ccccc2C=Nc2ccc(F)cc2)CC[NH2+]1 ZINC001218059693 1052191296 /nfs/dbraw/zinc/19/12/96/1052191296.db2.gz KNOSVUJHLQDIIZ-KSSFIOAISA-N 1 0 312.388 4.096 20 30 DIEDRO CCCCCCCC(=O)c1ccc(OC2CC3(C[NH2+]C3)C2)cc1 ZINC001218055554 1052191392 /nfs/dbraw/zinc/19/13/92/1052191392.db2.gz GTNMQRPFUURKPF-UHFFFAOYSA-N 1 0 315.457 4.361 20 30 DIEDRO N#Cc1ccc(-c2ccc(O[C@H]3CCC34CC[NH2+]CC4)cc2)cc1 ZINC001218081570 1052193732 /nfs/dbraw/zinc/19/37/32/1052193732.db2.gz UUHDCNRIPRZLQU-FQEVSTJZSA-N 1 0 318.420 4.136 20 30 DIEDRO C(=Nc1ccccc1)c1ccccc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218079378 1052193958 /nfs/dbraw/zinc/19/39/58/1052193958.db2.gz DMNWFYXNARYOBJ-FQEVSTJZSA-N 1 0 320.436 4.348 20 30 DIEDRO N#Cc1cccc(-c2ccc(O[C@@H]3CCC34CC[NH2+]CC4)cc2)c1 ZINC001218081479 1052193967 /nfs/dbraw/zinc/19/39/67/1052193967.db2.gz PSSMEIDPBDUFLA-HXUWFJFHSA-N 1 0 318.420 4.136 20 30 DIEDRO N#Cc1ccc(-c2cccc(O[C@H]3CCC[C@]34CC[NH2+]C4)c2)cc1 ZINC001218098966 1052197645 /nfs/dbraw/zinc/19/76/45/1052197645.db2.gz ZHZDLSARCFDKMG-LEWJYISDSA-N 1 0 318.420 4.136 20 30 DIEDRO Fc1ccc(N=Cc2ccccc2O[C@@H]2CC[C@@]23CC[NH2+]C3)cc1 ZINC001218116511 1052199212 /nfs/dbraw/zinc/19/92/12/1052199212.db2.gz KJVJXPYRMVXEBS-UXHICEINSA-N 1 0 324.399 4.097 20 30 DIEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001218210856 1052209085 /nfs/dbraw/zinc/20/90/85/1052209085.db2.gz LGBVHTNZYUUXJA-KRWDZBQOSA-N 1 0 319.326 4.068 20 30 DIEDRO CCCCCCCC(=O)c1ccc(O[C@@H]2CCC23C[NH2+]C3)cc1 ZINC001218242587 1052211397 /nfs/dbraw/zinc/21/13/97/1052211397.db2.gz SCDOHLVNRKCQEU-LJQANCHMSA-N 1 0 315.457 4.361 20 30 DIEDRO C(=N/c1ccc(OC2CCC3(C[NH2+]C3)CC2)cc1)\c1ccccc1 ZINC001218262785 1052215191 /nfs/dbraw/zinc/21/51/91/1052215191.db2.gz MIZMHLHZDJTRLP-OEAKJJBVSA-N 1 0 320.436 4.348 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC000780399326 1052215885 /nfs/dbraw/zinc/21/58/85/1052215885.db2.gz JGPLACBTUNNXEN-NHHWLVAYSA-N 1 0 318.420 4.267 20 30 DIEDRO N#Cc1ccc(-c2cccc(O[C@H]3CC[NH2+]C4(CCC4)C3)c2)cc1 ZINC001218308116 1052222014 /nfs/dbraw/zinc/22/20/14/1052222014.db2.gz AJZUFNIMAVHIAE-FQEVSTJZSA-N 1 0 318.420 4.279 20 30 DIEDRO C[C@H](Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2)c1ccccc1C#N ZINC001218409858 1052236217 /nfs/dbraw/zinc/23/62/17/1052236217.db2.gz YSPMKUDVMAVRNJ-HNNXBMFYSA-N 1 0 320.436 4.122 20 30 DIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(Br)c1 ZINC000229674429 1052238401 /nfs/dbraw/zinc/23/84/01/1052238401.db2.gz IJPBRWPZKPZAKB-LBPRGKRZSA-N 1 0 309.251 4.430 20 30 DIEDRO [NH3+]Cc1ccc(O[C@@H](C#Cc2ccccc2)c2ccccc2)cc1 ZINC001218440196 1052240100 /nfs/dbraw/zinc/24/01/00/1052240100.db2.gz ZEPYNXOQOIBEJM-QFIPXVFZSA-N 1 0 313.400 4.317 20 30 DIEDRO CC1(C)C[C@@H](Oc2ccc(/N=C/c3ccccc3)cc2)CC[NH2+]1 ZINC001218478840 1052245037 /nfs/dbraw/zinc/24/50/37/1052245037.db2.gz PCJLNYOWMLQBPD-QTKYHAHDSA-N 1 0 308.425 4.347 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)c1 ZINC000193226878 1052257843 /nfs/dbraw/zinc/25/78/43/1052257843.db2.gz FYWPAIRCMGXHGA-UHFFFAOYSA-N 1 0 313.404 4.329 20 30 DIEDRO CC[N@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)Cc1ccsc1 ZINC000495219915 1052259965 /nfs/dbraw/zinc/25/99/65/1052259965.db2.gz ISIVDNUVVNNXKM-AWEZNQCLSA-N 1 0 314.454 4.081 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)cc2[nH]ccc21 ZINC001218990364 1052267013 /nfs/dbraw/zinc/26/70/13/1052267013.db2.gz AECMIGKXEBYCKA-AWEZNQCLSA-N 1 0 319.836 4.224 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](OC)C2)cc1 ZINC000188815424 1052273020 /nfs/dbraw/zinc/27/30/20/1052273020.db2.gz DBILFTSWVGDGOX-LXZKKBNFSA-N 1 0 309.837 4.036 20 30 DIEDRO CCCCCCC[C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818308 1052305683 /nfs/dbraw/zinc/30/56/83/1052305683.db2.gz BSNYSVLGMDGQRE-QRQLOZEOSA-N 1 0 316.489 4.202 20 30 DIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000324390630 1052309119 /nfs/dbraw/zinc/30/91/19/1052309119.db2.gz PYAMUACPJIWMQI-HZPDHXFCSA-N 1 0 324.424 4.399 20 30 DIEDRO C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000193333927 1052320199 /nfs/dbraw/zinc/32/01/99/1052320199.db2.gz ZMXMLTUUYMZKLB-WWGRRREGSA-N 1 0 310.363 4.481 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC001220437554 1052333859 /nfs/dbraw/zinc/33/38/59/1052333859.db2.gz FPYOZMFNQGHIHH-ZWKOTPCHSA-N 1 0 320.452 4.103 20 30 DIEDRO C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(Cl)c(C)c1 ZINC001220556026 1052342011 /nfs/dbraw/zinc/34/20/11/1052342011.db2.gz VGQSZFLHLQJNKG-YOEHRIQHSA-N 1 0 322.880 4.289 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000315648320 1052347100 /nfs/dbraw/zinc/34/71/00/1052347100.db2.gz ZXDDYGWPCGUHPU-HNNXBMFYSA-N 1 0 311.450 4.271 20 30 DIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000487913739 1052352137 /nfs/dbraw/zinc/35/21/37/1052352137.db2.gz IPOWOEVVUSRFLI-LJQANCHMSA-N 1 0 306.409 4.212 20 30 DIEDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC(C#N)CC1 ZINC000929863933 1052356934 /nfs/dbraw/zinc/35/69/34/1052356934.db2.gz RDMKWNLNKMCTQL-UHFFFAOYSA-N 1 0 321.808 4.010 20 30 DIEDRO C=C1CC=C(F)C=C1NC(=O)C[C@H]([NH3+])c1cccc2ccccc21 ZINC001220797457 1052361156 /nfs/dbraw/zinc/36/11/56/1052361156.db2.gz QBSOTRIKJZCMNE-SFHVURJKSA-N 1 0 322.383 4.043 20 30 DIEDRO CC(C)[C@H](C[NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000915226449 1052371063 /nfs/dbraw/zinc/37/10/63/1052371063.db2.gz NYSGYIZLQYXUAT-FQEVSTJZSA-N 1 0 308.425 4.118 20 30 DIEDRO C[C@H](C/N=C\c1c(O)ccc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000915271534 1052379469 /nfs/dbraw/zinc/37/94/69/1052379469.db2.gz ZRMWCJCBXKIXKQ-ZXKSICAISA-N 1 0 310.441 4.227 20 30 DIEDRO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ccccc2)cc1 ZINC000762631620 1052410056 /nfs/dbraw/zinc/41/00/56/1052410056.db2.gz DTOQULHYAKSZBZ-FQEVSTJZSA-N 1 0 306.409 4.316 20 30 DIEDRO C=C(C)CN1CCC([NH2+]Cc2c3ccccc3oc2CC)CC1 ZINC000237088692 1052434372 /nfs/dbraw/zinc/43/43/72/1052434372.db2.gz XPZZUTIMJUELOB-UHFFFAOYSA-N 1 0 312.457 4.125 20 30 DIEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@@H]1C ZINC000237586373 1052443366 /nfs/dbraw/zinc/44/33/66/1052443366.db2.gz XLDAJGGYWDKFBC-GPMSIDNRSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCCCC[NH+]1CCC2(CNc3ccc(Cl)cc32)CC1 ZINC001222172387 1052457385 /nfs/dbraw/zinc/45/73/85/1052457385.db2.gz KMGRJDIKHSGFPJ-UHFFFAOYSA-N 1 0 304.865 4.455 20 30 DIEDRO C=CCn1cc(-c2ccc([C@@H]3CCCC[N@H+]3CCC)cn2)cn1 ZINC001222382773 1052493962 /nfs/dbraw/zinc/49/39/62/1052493962.db2.gz PHIWVAXMGHVQFJ-IBGZPJMESA-N 1 0 310.445 4.068 20 30 DIEDRO COc1ccc2c(Nc3sc4c(c3C#N)CCC4)cc[nH+]c2c1 ZINC001203520285 1052500714 /nfs/dbraw/zinc/50/07/14/1052500714.db2.gz PLQFZBHCNQRRIV-UHFFFAOYSA-N 1 0 321.405 4.409 20 30 DIEDRO C[NH+]1CCC(O[C@H](C#N)c2cccc(Oc3ccccc3)c2)CC1 ZINC001222503925 1052505300 /nfs/dbraw/zinc/50/53/00/1052505300.db2.gz KJCYWUZRUMMMMR-HXUWFJFHSA-N 1 0 322.408 4.154 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1cncc(C[NH+]2CCCCC2)c1 ZINC001222662750 1052523918 /nfs/dbraw/zinc/52/39/18/1052523918.db2.gz CNASFYBPQXQNCY-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO Cc1cc(C#N)cc(C)c1-c1cnccc1C[NH+]1CCCCC1 ZINC001222672573 1052525318 /nfs/dbraw/zinc/52/53/18/1052525318.db2.gz MLNQIHMWBBWZFM-UHFFFAOYSA-N 1 0 305.425 4.223 20 30 DIEDRO Cc1ccc(OC[C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000324536824 1052552786 /nfs/dbraw/zinc/55/27/86/1052552786.db2.gz IURQRPIKJQIHOM-DLBZAZTESA-N 1 0 324.424 4.016 20 30 DIEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CCCC(C)(C)C#N ZINC000398147113 1052566090 /nfs/dbraw/zinc/56/60/90/1052566090.db2.gz OIZUXSGTJJOVNC-LJQANCHMSA-N 1 0 315.505 4.063 20 30 DIEDRO Cc1ccccc1[C@H](O[C@H](CC#N)C[N+](C)(C)C)c1ccccc1 ZINC001223125897 1052569943 /nfs/dbraw/zinc/56/99/43/1052569943.db2.gz GSOZWGSSVXORIH-TZIWHRDSSA-N 1 0 323.460 4.090 20 30 DIEDRO CC(=[NH+]NCc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000916345307 1052604485 /nfs/dbraw/zinc/60/44/85/1052604485.db2.gz ZVOYGHGFYYYTPK-UHFFFAOYSA-N 1 0 307.441 4.191 20 30 DIEDRO Cc1cc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)ccc1C#N ZINC000488135835 1052619082 /nfs/dbraw/zinc/61/90/82/1052619082.db2.gz HESBRTOEHMCSDL-NQIIRXRSSA-N 1 0 320.436 4.124 20 30 DIEDRO C[NH+](C)CC[C@H](O[C@H](C#N)c1ccccc1)c1cccs1 ZINC001223710268 1052628956 /nfs/dbraw/zinc/62/89/56/1052628956.db2.gz XBQCSKAULBLJQV-JKSUJKDBSA-N 1 0 300.427 4.022 20 30 DIEDRO Cc1cc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)ccc1C#N ZINC000488159819 1052629627 /nfs/dbraw/zinc/62/96/27/1052629627.db2.gz QYCBGNGWWPSOEQ-FQEVSTJZSA-N 1 0 318.420 4.104 20 30 DIEDRO C[C@@H]([C@H](O[C@H](C#N)c1ccccc1)c1ccccc1)[NH+]1CCCC1 ZINC001223715697 1052629631 /nfs/dbraw/zinc/62/96/31/1052629631.db2.gz WXYHILRZRRVCFB-WMQCIHAUSA-N 1 0 320.436 4.493 20 30 DIEDRO C=C(C)CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001168518873 1052648514 /nfs/dbraw/zinc/64/85/14/1052648514.db2.gz HYEYBNQHYTUPEN-INIZCTEOSA-N 1 0 310.482 4.016 20 30 DIEDRO C[NH+](C)CC[C@@H](O[C@@H](C#N)c1ccccc1F)c1ccccc1 ZINC001224136431 1052672019 /nfs/dbraw/zinc/67/20/19/1052672019.db2.gz IBCFXMGCIGEQHM-MOPGFXCFSA-N 1 0 312.388 4.100 20 30 DIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)CCCc2ccccc2)cc1 ZINC000154244577 1052678506 /nfs/dbraw/zinc/67/85/06/1052678506.db2.gz IISUHYILADIAMF-QGZVFWFLSA-N 1 0 308.425 4.042 20 30 DIEDRO N#CCCCCCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224374709 1052691995 /nfs/dbraw/zinc/69/19/95/1052691995.db2.gz ASGITPGMZFLAOK-SFHVURJKSA-N 1 0 320.864 4.405 20 30 DIEDRO C[NH+]1CCC(CO[C@@H](C#Cc2ccccc2)c2ccccc2)CC1 ZINC001224457968 1052699477 /nfs/dbraw/zinc/69/94/77/1052699477.db2.gz XDBPJUXDUGSZPY-QFIPXVFZSA-N 1 0 319.448 4.138 20 30 DIEDRO C=CCCCCCCCOC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001224507451 1052703631 /nfs/dbraw/zinc/70/36/31/1052703631.db2.gz GYSVXMJVVSNZAA-SFHVURJKSA-N 1 0 309.494 4.173 20 30 DIEDRO C#CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCc2ccccc21 ZINC000917117593 1052703702 /nfs/dbraw/zinc/70/37/02/1052703702.db2.gz QNWLBSXYGLYGCY-FQEVSTJZSA-N 1 0 320.392 4.026 20 30 DIEDRO CC(C)OCCOCC[S+](c1ccccc1)c1ccccc1 ZINC001224636481 1052711857 /nfs/dbraw/zinc/71/18/57/1052711857.db2.gz OYMQWICBWRZGPC-UHFFFAOYSA-N 1 0 317.474 4.165 20 30 DIEDRO N#CCCCCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001224690692 1052716400 /nfs/dbraw/zinc/71/64/00/1052716400.db2.gz WKNKVDATVZDZMX-ACDBMABISA-N 1 0 312.457 4.283 20 30 DIEDRO C=C(CO[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1)c1ccccc1 ZINC001224738377 1052721283 /nfs/dbraw/zinc/72/12/83/1052721283.db2.gz DSKSLEQSCPWPKJ-QUCCMNQESA-N 1 0 322.452 4.337 20 30 DIEDRO C#C[C@H](OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224829365 1052729039 /nfs/dbraw/zinc/72/90/39/1052729039.db2.gz JAKYKQSBDCTGER-IRLDBZIGSA-N 1 0 319.448 4.290 20 30 DIEDRO C=C[C@H](CC)OC[C@]1(C)C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001225152599 1052750095 /nfs/dbraw/zinc/75/00/95/1052750095.db2.gz WXCLQBUCYNFNHF-QUCCMNQESA-N 1 0 317.473 4.037 20 30 DIEDRO N#Cc1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001225222998 1052758588 /nfs/dbraw/zinc/75/85/88/1052758588.db2.gz DVUNKOZEVHFTMI-CEQLMSFQSA-N 1 0 318.420 4.133 20 30 DIEDRO C[C@@H]([C@H](Oc1ccc(CC#N)cc1)c1ccccc1)[NH+]1CCCC1 ZINC001225264607 1052766191 /nfs/dbraw/zinc/76/61/91/1052766191.db2.gz JZUKMGOSYYJVOR-UWJYYQICSA-N 1 0 320.436 4.357 20 30 DIEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-c3ccc(C#N)cc3)cc1)C2 ZINC001225333552 1052775742 /nfs/dbraw/zinc/77/57/42/1052775742.db2.gz IKIFHVCGHDHODG-KXTWHKPSSA-N 1 0 318.420 4.229 20 30 DIEDRO CC[N@@H+]1CCC[C@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225335409 1052776098 /nfs/dbraw/zinc/77/60/98/1052776098.db2.gz UXKSEHOWIJYSHF-FQEVSTJZSA-N 1 0 306.409 4.088 20 30 DIEDRO C=CC[N@H+](Cc1ccccc1F)Cc1c(O)ccc2ccncc21 ZINC000918180709 1052786797 /nfs/dbraw/zinc/78/67/97/1052786797.db2.gz CZBZYEDTZVGQTF-UHFFFAOYSA-N 1 0 322.383 4.268 20 30 DIEDRO Fc1cc(C[NH2+]CCCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000129467890 1052790841 /nfs/dbraw/zinc/79/08/41/1052790841.db2.gz ZHWUYIPDOFONAI-UHFFFAOYSA-N 1 0 303.221 4.277 20 30 DIEDRO COc1ccccc1[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000609280893 1052806091 /nfs/dbraw/zinc/80/60/91/1052806091.db2.gz UORIDMMCWCKWAJ-IBGZPJMESA-N 1 0 324.399 4.433 20 30 DIEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000609280906 1052806830 /nfs/dbraw/zinc/80/68/30/1052806830.db2.gz VPSFAPHAXJGPNY-LJQANCHMSA-N 1 0 306.409 4.294 20 30 DIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(OC)c(OC)c1Cl ZINC000556216786 1052820207 /nfs/dbraw/zinc/82/02/07/1052820207.db2.gz JORBGURVCCYPPB-CHWSQXEVSA-N 1 0 311.853 4.090 20 30 DIEDRO N#Cc1cccc(C[NH2+]CCCCc2ccc(Cl)s2)c1 ZINC000556411561 1052849004 /nfs/dbraw/zinc/84/90/04/1052849004.db2.gz FVLAGCZMKXZJFR-UHFFFAOYSA-N 1 0 304.846 4.386 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000556545709 1052862990 /nfs/dbraw/zinc/86/29/90/1052862990.db2.gz OWXRWXAWXGBICZ-UHFFFAOYSA-N 1 0 321.262 4.137 20 30 DIEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000556583311 1052867428 /nfs/dbraw/zinc/86/74/28/1052867428.db2.gz GYJPWAIZSHAFPA-AWEZNQCLSA-N 1 0 311.853 4.371 20 30 DIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CC[C@H](c4ccccc4)C3)CC2)c1 ZINC000556610712 1052870930 /nfs/dbraw/zinc/87/09/30/1052870930.db2.gz VCKPFTFIKHQVCM-AZUAARDMSA-N 1 0 302.421 4.473 20 30 DIEDRO CCCCCCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000919762325 1052887677 /nfs/dbraw/zinc/88/76/77/1052887677.db2.gz IKJDBOPPCUOYTE-PKOBYXMFSA-N 1 0 316.489 4.299 20 30 DIEDRO C=CCCC[C@H](C)NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC001127520850 1052890078 /nfs/dbraw/zinc/89/00/78/1052890078.db2.gz XFDCWAQPDKDOLE-KRWDZBQOSA-N 1 0 316.489 4.392 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCc3ccccc3C2)c1O ZINC000919935820 1052904934 /nfs/dbraw/zinc/90/49/34/1052904934.db2.gz KISLOUYRPRLMFX-UHFFFAOYSA-N 1 0 323.436 4.078 20 30 DIEDRO Cc1cc(C#N)cc(C)c1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001226522650 1052906384 /nfs/dbraw/zinc/90/63/84/1052906384.db2.gz ZEOOKUNUDIGYGZ-INIZCTEOSA-N 1 0 314.454 4.308 20 30 DIEDRO Cc1cc(C#N)cc(C)c1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001226522326 1052906397 /nfs/dbraw/zinc/90/63/97/1052906397.db2.gz WEAJFAGLJMHPBD-UHFFFAOYSA-N 1 0 320.436 4.219 20 30 DIEDRO C[N@H+](CC/N=C/c1c(O)ccc2ccccc21)Cc1ccccc1 ZINC000920173351 1052926328 /nfs/dbraw/zinc/92/63/28/1052926328.db2.gz CQAXDOJDXGYIIV-PXLXIMEGSA-N 1 0 318.420 4.096 20 30 DIEDRO Cc1ccc(C#N)cc1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001226874453 1052940586 /nfs/dbraw/zinc/94/05/86/1052940586.db2.gz KLIBTEUMPYXQMA-HNNXBMFYSA-N 1 0 300.427 4.000 20 30 DIEDRO Cc1ccc(C#N)cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001226879473 1052941295 /nfs/dbraw/zinc/94/12/95/1052941295.db2.gz WJOGFYHUNNJZBP-PXNSSMCTSA-N 1 0 320.436 4.156 20 30 DIEDRO C[NH+](C)[C@H](C/N=C\c1c(O)ccc2ccccc21)c1ccccc1 ZINC000920942507 1052955497 /nfs/dbraw/zinc/95/54/97/1052955497.db2.gz DWRXXJWQUDZSMB-IDCRMVTHSA-N 1 0 318.420 4.267 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1ccc(C#N)c(Cl)c1)c1cccs1 ZINC001227203830 1052971932 /nfs/dbraw/zinc/97/19/32/1052971932.db2.gz CUYBFWNZNMOLTJ-HNNXBMFYSA-N 1 0 320.845 4.345 20 30 DIEDRO C[NH+](C)CC[C@@H](Oc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC001227204557 1052972458 /nfs/dbraw/zinc/97/24/58/1052972458.db2.gz OSDUEZRNTCRYOJ-GOSISDBHSA-N 1 0 314.816 4.283 20 30 DIEDRO N#CCSCCC[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000135367460 1052981913 /nfs/dbraw/zinc/98/19/13/1052981913.db2.gz SJHQVABZEDITGP-GOSISDBHSA-N 1 0 302.487 4.121 20 30 DIEDRO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000609541503 1052982127 /nfs/dbraw/zinc/98/21/27/1052982127.db2.gz VKEHELAHKXSVPD-HNNXBMFYSA-N 1 0 314.791 4.340 20 30 DIEDRO Cc1cccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000609544841 1052982657 /nfs/dbraw/zinc/98/26/57/1052982657.db2.gz KYMPXNCTVDZRSR-UHFFFAOYSA-N 1 0 320.436 4.347 20 30 DIEDRO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCOC1 ZINC000609631673 1052985782 /nfs/dbraw/zinc/98/57/82/1052985782.db2.gz MDEMNIJJXHGVQN-SFHVURJKSA-N 1 0 320.436 4.084 20 30 DIEDRO Cc1ccc(OC2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000609823636 1052994246 /nfs/dbraw/zinc/99/42/46/1052994246.db2.gz ZILJFPZKRJPUOL-KRWDZBQOSA-N 1 0 320.436 4.471 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609823458 1052994382 /nfs/dbraw/zinc/99/43/82/1052994382.db2.gz HLCVLTQAEIFEJM-BEFAXECRSA-N 1 0 308.450 4.409 20 30 DIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000609916457 1052999262 /nfs/dbraw/zinc/99/92/62/1052999262.db2.gz PWRUMFLNMVLPMM-XJKSGUPXSA-N 1 0 312.363 4.214 20 30 DIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000609915631 1052999307 /nfs/dbraw/zinc/99/93/07/1052999307.db2.gz HQWLLORTRYSUSD-ZDUSSCGKSA-N 1 0 316.807 4.414 20 30 DIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000610001813 1053002176 /nfs/dbraw/zinc/00/21/76/1053002176.db2.gz BQMBZWBCXOQPLB-QAPCUYQASA-N 1 0 308.400 4.384 20 30 DIEDRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000615240662 1053010236 /nfs/dbraw/zinc/01/02/36/1053010236.db2.gz BQXLAQUJCNUDMG-NRFANRHFSA-N 1 0 322.452 4.030 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2oc3ccc(F)cc3c2C)cc1 ZINC000237604139 1053015004 /nfs/dbraw/zinc/01/50/04/1053015004.db2.gz FOLXZPKYQZMOSO-UHFFFAOYSA-N 1 0 323.367 4.182 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1oc2ccc(F)cc2c1C ZINC000237605770 1053015257 /nfs/dbraw/zinc/01/52/57/1053015257.db2.gz VWKRRIODRSTFQR-UHFFFAOYSA-N 1 0 323.367 4.182 20 30 DIEDRO C=CCc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001227921837 1053029356 /nfs/dbraw/zinc/02/93/56/1053029356.db2.gz CBOYCKIJMGCRAD-IBGZPJMESA-N 1 0 323.436 4.077 20 30 DIEDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cnn1C(C)(C)C ZINC000615756722 1053030729 /nfs/dbraw/zinc/03/07/29/1053030729.db2.gz DMZVFKMCQOYLMC-KGLIPLIRSA-N 1 0 310.445 4.230 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000237917257 1053038938 /nfs/dbraw/zinc/03/89/38/1053038938.db2.gz HAOREYUWINDJCO-HXUWFJFHSA-N 1 0 309.384 4.079 20 30 DIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1 ZINC000180028973 1053041304 /nfs/dbraw/zinc/04/13/04/1053041304.db2.gz PYDNCECEDJUQSO-UHOFOFEASA-N 1 0 308.878 4.274 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1cc2cc(OC)ccc2o1)c1ccncc1 ZINC000763474226 1053044266 /nfs/dbraw/zinc/04/42/66/1053044266.db2.gz ZNLVYFAPDRYCHD-GOSISDBHSA-N 1 0 308.381 4.243 20 30 DIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)C1CCC(F)(F)CC1 ZINC000616092038 1053046582 /nfs/dbraw/zinc/04/65/82/1053046582.db2.gz DDGPLUGREUUDGY-ZDUSSCGKSA-N 1 0 304.384 4.351 20 30 DIEDRO Cc1ccc(C2CCCCC2)c(O[C@H](CC#N)C[N+](C)(C)C)c1 ZINC001228138020 1053046909 /nfs/dbraw/zinc/04/69/09/1053046909.db2.gz HSEUKJDEAKVQRL-GOSISDBHSA-N 1 0 315.481 4.410 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1cccc(C#N)c1 ZINC000616475752 1053056599 /nfs/dbraw/zinc/05/65/99/1053056599.db2.gz UHTHUXWIYMGUGB-HNNXBMFYSA-N 1 0 306.409 4.198 20 30 DIEDRO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180541957 1053065911 /nfs/dbraw/zinc/06/59/11/1053065911.db2.gz IHOZHVHWPGOCMF-CVEARBPZSA-N 1 0 324.424 4.399 20 30 DIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000180549722 1053069380 /nfs/dbraw/zinc/06/93/80/1053069380.db2.gz XCOFUGQBUOXDET-CTNGQTDRSA-N 1 0 320.436 4.090 20 30 DIEDRO C#CC[C@@H](CC)Oc1ccc(C[NH+]2CCCCC2)c2cccnc12 ZINC001228374359 1053087384 /nfs/dbraw/zinc/08/73/84/1053087384.db2.gz IVPLXCFPMVRFNP-GOSISDBHSA-N 1 0 322.452 4.401 20 30 DIEDRO CC(=O)/C=C\c1ccc(O[C@@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001228496395 1053117983 /nfs/dbraw/zinc/11/79/83/1053117983.db2.gz LBCRAKXTLWLXFB-YUQDSPFASA-N 1 0 323.436 4.361 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccccc2/C=C/C(=O)c2ccccc2)C1 ZINC001228542568 1053129031 /nfs/dbraw/zinc/12/90/31/1053129031.db2.gz IUZJDKNJIHRGFL-KQDNUWKFSA-N 1 0 321.420 4.056 20 30 DIEDRO CCCCCCC[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001559850170 1053140174 /nfs/dbraw/zinc/14/01/74/1053140174.db2.gz RSYFTRQBXIYVTB-UHFFFAOYSA-N 1 0 312.498 4.336 20 30 DIEDRO C#CCCCC[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000763488187 1053143979 /nfs/dbraw/zinc/14/39/79/1053143979.db2.gz WAKOZXWOJKWWSA-UHFFFAOYSA-N 1 0 323.484 4.122 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(Cl)cc1F ZINC001351270684 1053159408 /nfs/dbraw/zinc/15/94/08/1053159408.db2.gz DFQXAIAZGMHMDJ-KRWDZBQOSA-N 1 0 317.795 4.233 20 30 DIEDRO C#C[C@H](CC(C)C)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228831014 1053188112 /nfs/dbraw/zinc/18/81/12/1053188112.db2.gz WXGVIHVNWYIOAW-QGZVFWFLSA-N 1 0 324.468 4.404 20 30 DIEDRO C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1cccc(C#N)c1 ZINC000181420653 1053204914 /nfs/dbraw/zinc/20/49/14/1053204914.db2.gz CEFLWRPUKUMBJV-IRXDYDNUSA-N 1 0 308.425 4.377 20 30 DIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555991 1053206245 /nfs/dbraw/zinc/20/62/45/1053206245.db2.gz ZNMIKTKMRDCMNU-STQMWFEESA-N 1 0 319.836 4.123 20 30 DIEDRO CCCCCCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181437321 1053209407 /nfs/dbraw/zinc/20/94/07/1053209407.db2.gz IJZKIPNQYHMUSU-IRXDYDNUSA-N 1 0 308.510 4.116 20 30 DIEDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000181517548 1053231015 /nfs/dbraw/zinc/23/10/15/1053231015.db2.gz BYBMWDVLQZGVMT-HNNXBMFYSA-N 1 0 321.424 4.148 20 30 DIEDRO C=C(C)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1 ZINC001229079182 1053240456 /nfs/dbraw/zinc/24/04/56/1053240456.db2.gz QIBOPQYODKRXSI-OAQYLSRUSA-N 1 0 318.420 4.245 20 30 DIEDRO C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1cccc(C#N)c1 ZINC000181553354 1053242065 /nfs/dbraw/zinc/24/20/65/1053242065.db2.gz FGGHEIPOFGQMEM-QGZVFWFLSA-N 1 0 307.441 4.125 20 30 DIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181594054 1053253410 /nfs/dbraw/zinc/25/34/10/1053253410.db2.gz INSFAPJHKWTLKU-IRXDYDNUSA-N 1 0 308.425 4.433 20 30 DIEDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000181583917 1053254036 /nfs/dbraw/zinc/25/40/36/1053254036.db2.gz ZPXCAIWMNDMOKR-QGZVFWFLSA-N 1 0 308.425 4.099 20 30 DIEDRO C[C@H](N[NH+]=Cc1c(Cl)cccc1N(C)C)c1ccccc1 ZINC001319824265 1053277533 /nfs/dbraw/zinc/27/75/33/1053277533.db2.gz NWMJHAOICIHMNH-ZDUSSCGKSA-N 1 0 301.821 4.091 20 30 DIEDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC001319829506 1053278327 /nfs/dbraw/zinc/27/83/27/1053278327.db2.gz YDXVFWJSHBCFCH-FUHWJXTLSA-N 1 0 318.486 4.085 20 30 DIEDRO Cc1cc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)ccc1C#N ZINC000618192004 1053282251 /nfs/dbraw/zinc/28/22/51/1053282251.db2.gz MCHNJZWPQXOCGK-UHFFFAOYSA-N 1 0 308.425 4.334 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000069755894 1053291451 /nfs/dbraw/zinc/29/14/51/1053291451.db2.gz DCJPCHAIAGRFLB-QGZVFWFLSA-N 1 0 307.441 4.196 20 30 DIEDRO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000618308040 1053293158 /nfs/dbraw/zinc/29/31/58/1053293158.db2.gz CTVJLBBNJNNJDR-MRXNPFEDSA-N 1 0 317.452 4.056 20 30 DIEDRO N#CC(CC[N@H+]1CC=CCC1)(c1ccccc1)c1ccccc1 ZINC000618304575 1053293201 /nfs/dbraw/zinc/29/32/01/1053293201.db2.gz SUTLECCOXGSRHI-UHFFFAOYSA-N 1 0 302.421 4.148 20 30 DIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)nc1 ZINC000780558204 1053295149 /nfs/dbraw/zinc/29/51/49/1053295149.db2.gz LYRMWVORAAPOCT-UHFFFAOYSA-N 1 0 323.396 4.111 20 30 DIEDRO C=C[C@H](Oc1ccc(C(=O)CC[NH+](C)C)cc1)c1ccccc1 ZINC001229302214 1053295373 /nfs/dbraw/zinc/29/53/73/1053295373.db2.gz GSPJTBOIPDJSGS-FQEVSTJZSA-N 1 0 309.409 4.127 20 30 DIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000181837811 1053298659 /nfs/dbraw/zinc/29/86/59/1053298659.db2.gz KZLHWPQLOOWOPT-JKSUJKDBSA-N 1 0 316.408 4.156 20 30 DIEDRO C=CCc1ccc(O)c(O[C@@H](CC[NH+](C)C)c2cccs2)c1 ZINC001229342988 1053302428 /nfs/dbraw/zinc/30/24/28/1053302428.db2.gz VXGBAFWCJPMUOQ-INIZCTEOSA-N 1 0 317.454 4.254 20 30 DIEDRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181889191 1053305671 /nfs/dbraw/zinc/30/56/71/1053305671.db2.gz KSXNJSZZYAFHIY-INIZCTEOSA-N 1 0 324.424 4.147 20 30 DIEDRO CC[N@@H+]1CC[C@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C1 ZINC001229357862 1053307358 /nfs/dbraw/zinc/30/73/58/1053307358.db2.gz YYOFSIZKSTXMGH-IOVUBPJKSA-N 1 0 312.388 4.049 20 30 DIEDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1C=Nc1ccc(F)cc1 ZINC001229375361 1053310036 /nfs/dbraw/zinc/31/00/36/1053310036.db2.gz BLFHJCICWSASTR-OAHLLOKOSA-N 1 0 315.412 4.050 20 30 DIEDRO C=CC[N@@H+](Cc1nnc(-c2ccccc2)o1)CC1CCCCC1 ZINC000069860005 1053312100 /nfs/dbraw/zinc/31/21/00/1053312100.db2.gz FZZUZEIYDLEAMW-UHFFFAOYSA-N 1 0 311.429 4.305 20 30 DIEDRO C=C[C@H](COC)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC001320293918 1053323549 /nfs/dbraw/zinc/32/35/49/1053323549.db2.gz FGKBLHWUOMLZIK-GFCCVEGCSA-N 1 0 307.846 4.359 20 30 DIEDRO CCc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181996923 1053324075 /nfs/dbraw/zinc/32/40/75/1053324075.db2.gz SKEAJEKCIUWIJR-INIZCTEOSA-N 1 0 308.425 4.045 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC001320301599 1053324279 /nfs/dbraw/zinc/32/42/79/1053324279.db2.gz GBLNUHRXGHGKAX-AEFFLSMTSA-N 1 0 311.425 4.117 20 30 DIEDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@@H]1OCc1ccccc1 ZINC000618578778 1053324510 /nfs/dbraw/zinc/32/45/10/1053324510.db2.gz YJRGADVJXPSCKA-MANSERQUSA-N 1 0 312.457 4.042 20 30 DIEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1F ZINC000618578763 1053324622 /nfs/dbraw/zinc/32/46/22/1053324622.db2.gz XATPFDIHWXDRLW-OLZOCXBDSA-N 1 0 308.828 4.429 20 30 DIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000618568155 1053325175 /nfs/dbraw/zinc/32/51/75/1053325175.db2.gz QBDDRVKQQJYICC-DAYGRLMNSA-N 1 0 318.436 4.291 20 30 DIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCc2cccc(C(F)(F)F)c2)C1 ZINC000618564696 1053325638 /nfs/dbraw/zinc/32/56/38/1053325638.db2.gz KADLVZAASBNFGJ-GDBMZVCRSA-N 1 0 310.363 4.310 20 30 DIEDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C[C@@H]1OCc1ccccc1 ZINC000618578779 1053325818 /nfs/dbraw/zinc/32/58/18/1053325818.db2.gz YJRGADVJXPSCKA-MKXGPGLRSA-N 1 0 312.457 4.042 20 30 DIEDRO CC[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000618571989 1053326882 /nfs/dbraw/zinc/32/68/82/1053326882.db2.gz BZGTUBGWNVLOCR-QZTJIDSGSA-N 1 0 300.446 4.194 20 30 DIEDRO Cc1cc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)ccc1C#N ZINC000618594402 1053328667 /nfs/dbraw/zinc/32/86/67/1053328667.db2.gz SILMPHFTQZLPOU-LJQANCHMSA-N 1 0 308.450 4.157 20 30 DIEDRO CC(C)[N@H+](CCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000182109118 1053354601 /nfs/dbraw/zinc/35/46/01/1053354601.db2.gz PWFIXYWUUKBSOJ-UHFFFAOYSA-N 1 0 306.409 4.042 20 30 DIEDRO N#CCC[C@@H]([NH2+]Cc1ccc2cnccc2c1)c1ccccc1 ZINC000618729096 1053355028 /nfs/dbraw/zinc/35/50/28/1053355028.db2.gz GZAHVVJXRGIPNQ-HXUWFJFHSA-N 1 0 301.393 4.369 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(Cl)c1F ZINC000618742663 1053357534 /nfs/dbraw/zinc/35/75/34/1053357534.db2.gz ONIOWJBBIITHRQ-MRXNPFEDSA-N 1 0 300.764 4.128 20 30 DIEDRO Cc1ccc2cc([C@H](C)[NH2+]Cc3cccc(OCC#N)c3)oc2c1 ZINC001320728338 1053358413 /nfs/dbraw/zinc/35/84/13/1053358413.db2.gz ARSVBMRMNKJFKL-HNNXBMFYSA-N 1 0 320.392 4.494 20 30 DIEDRO COc1ccc(C[C@H](C)[N@H+](C)CCCCC(C)(C)C#N)cc1 ZINC001320825574 1053363685 /nfs/dbraw/zinc/36/36/85/1053363685.db2.gz PXLBVNWNHVHHDS-INIZCTEOSA-N 1 0 302.462 4.278 20 30 DIEDRO C=CCOc1ccccc1OC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001229611580 1053364437 /nfs/dbraw/zinc/36/44/37/1053364437.db2.gz GZNZRSJXIQCRTN-UHFFFAOYSA-N 1 0 303.446 4.282 20 30 DIEDRO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618801464 1053367074 /nfs/dbraw/zinc/36/70/74/1053367074.db2.gz AZQCBSPJWXUPMP-JKSUJKDBSA-N 1 0 323.465 4.232 20 30 DIEDRO CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618801845 1053367679 /nfs/dbraw/zinc/36/76/79/1053367679.db2.gz BKHYLBAHLFGIFM-MSOLQXFVSA-N 1 0 306.409 4.442 20 30 DIEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618801974 1053367904 /nfs/dbraw/zinc/36/79/04/1053367904.db2.gz CUGYSBODDZKURW-RTWAWAEBSA-N 1 0 318.420 4.221 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805728 1053369877 /nfs/dbraw/zinc/36/98/77/1053369877.db2.gz PAJGGYSVRIQMKS-RTBURBONSA-N 1 0 321.380 4.195 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 ZINC000618805827 1053369983 /nfs/dbraw/zinc/36/99/83/1053369983.db2.gz PHMCLTIONSLADS-YVEFUNNKSA-N 1 0 304.384 4.349 20 30 DIEDRO CCCCCCCCCCCC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001545872938 1053370487 /nfs/dbraw/zinc/37/04/87/1053370487.db2.gz BWALLLDPDMDGIQ-MSOLQXFVSA-N 1 0 310.526 4.458 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2ccccc2n1 ZINC000618806095 1053370486 /nfs/dbraw/zinc/37/04/86/1053370486.db2.gz PMCNBUSBROHLKH-LHSJRXKWSA-N 1 0 313.404 4.445 20 30 DIEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804782 1053370597 /nfs/dbraw/zinc/37/05/97/1053370597.db2.gz MJYGTWGCXZGIFP-XOBRGWDASA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2ccccc2n1 ZINC000618806101 1053370952 /nfs/dbraw/zinc/37/09/52/1053370952.db2.gz PMCNBUSBROHLKH-QKKBWIMNSA-N 1 0 313.404 4.445 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000618804653 1053371013 /nfs/dbraw/zinc/37/10/13/1053371013.db2.gz BWUBSYPNFZCCCS-UXHICEINSA-N 1 0 306.384 4.352 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC)cc1 ZINC000618806626 1053371134 /nfs/dbraw/zinc/37/11/34/1053371134.db2.gz QOGCJURJLCSUBE-WOJBJXKFSA-N 1 0 306.409 4.295 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CCC(F)(F)CC1 ZINC000618805826 1053371307 /nfs/dbraw/zinc/37/13/07/1053371307.db2.gz PHMCLTIONSLADS-SJKOYZFVSA-N 1 0 304.384 4.349 20 30 DIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000618804766 1053371345 /nfs/dbraw/zinc/37/13/45/1053371345.db2.gz MFLOFYUBMOLHFE-NHCUHLMSSA-N 1 0 313.404 4.084 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000618808082 1053374068 /nfs/dbraw/zinc/37/40/68/1053374068.db2.gz YVNZYVJWVLEXFE-ORAYPTAESA-N 1 0 323.415 4.101 20 30 DIEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CS1 ZINC000618831380 1053377145 /nfs/dbraw/zinc/37/71/45/1053377145.db2.gz OKZRHZWHFKDTOU-PVAVHDDUSA-N 1 0 300.471 4.055 20 30 DIEDRO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H](C)CCC#N)n1 ZINC000618888250 1053390868 /nfs/dbraw/zinc/39/08/68/1053390868.db2.gz OSPBOPPSKLVOLO-INIZCTEOSA-N 1 0 322.456 4.036 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1OC(F)F ZINC001321295509 1053406668 /nfs/dbraw/zinc/40/66/68/1053406668.db2.gz ADFKWFKYUJUUDJ-GVXVVHGQSA-N 1 0 312.335 4.160 20 30 DIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC001321286758 1053407176 /nfs/dbraw/zinc/40/71/76/1053407176.db2.gz CLNDCPHZQMUHRU-BPUAMTIHSA-N 1 0 320.411 4.285 20 30 DIEDRO CC1CCC(C)([NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC001200135038 1053408170 /nfs/dbraw/zinc/40/81/70/1053408170.db2.gz FUBGAQASHFRKSD-UHFFFAOYSA-N 1 0 321.262 4.379 20 30 DIEDRO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(C)(C)CCC#N)cc1 ZINC000093458931 1053410739 /nfs/dbraw/zinc/41/07/39/1053410739.db2.gz MNLJYWFFWCXHNF-KRWDZBQOSA-N 1 0 302.487 4.415 20 30 DIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321496202 1053415956 /nfs/dbraw/zinc/41/59/56/1053415956.db2.gz IBZICQDCLRQJPX-UHFFFAOYSA-N 1 0 323.465 4.337 20 30 DIEDRO C[NH+](C)CC[C@H](Oc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC001229944901 1053436312 /nfs/dbraw/zinc/43/63/12/1053436312.db2.gz QUPWSFWEWOYZPM-FQEVSTJZSA-N 1 0 320.436 4.314 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC001474763407 1053440144 /nfs/dbraw/zinc/44/01/44/1053440144.db2.gz XPDQCJXZIPQEAN-RYUDHWBXSA-N 1 0 320.387 4.410 20 30 DIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)CC(C)(C)CCC#N)cc1 ZINC000093772208 1053450032 /nfs/dbraw/zinc/45/00/32/1053450032.db2.gz BTHSJCAZEOJWQZ-MRXNPFEDSA-N 1 0 302.462 4.136 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2C)cc(OC)c1OC ZINC001200269646 1053514200 /nfs/dbraw/zinc/51/42/00/1053514200.db2.gz ZIQAEUAEGRLOIS-MAUKXSAKSA-N 1 0 317.473 4.348 20 30 DIEDRO N#CC1(CCC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)CCOCC1 ZINC000619621238 1053521191 /nfs/dbraw/zinc/52/11/91/1053521191.db2.gz XZSNDIKZDXNDNC-GDCKJWNLSA-N 1 0 324.468 4.265 20 30 DIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1cccc(C#N)c1 ZINC000619723820 1053540354 /nfs/dbraw/zinc/54/03/54/1053540354.db2.gz DPYDVXXJIIWNLP-ZAAXVRCTSA-N 1 0 305.425 4.330 20 30 DIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1cccc(C#N)c1 ZINC000619723819 1053540487 /nfs/dbraw/zinc/54/04/87/1053540487.db2.gz DPYDVXXJIIWNLP-QSFXBCCZSA-N 1 0 305.425 4.330 20 30 DIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)cn1 ZINC000619755761 1053546936 /nfs/dbraw/zinc/54/69/36/1053546936.db2.gz RTIBQVSBPZJYOA-KRWDZBQOSA-N 1 0 317.795 4.233 20 30 DIEDRO C[C@H](CCc1ccsc1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754481 1053548357 /nfs/dbraw/zinc/54/83/57/1053548357.db2.gz AMXSSWQEPYMIIR-GFCCVEGCSA-N 1 0 304.846 4.384 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000619754893 1053548021 /nfs/dbraw/zinc/54/80/21/1053548021.db2.gz OAFLYSQTVQQFRF-SNVBAGLBSA-N 1 0 306.743 4.341 20 30 DIEDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cnn1C(C)C ZINC000619755528 1053548946 /nfs/dbraw/zinc/54/89/46/1053548946.db2.gz ZLJKUYSGBXJSBQ-GFCCVEGCSA-N 1 0 316.836 4.148 20 30 DIEDRO CCc1cccc(F)c1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748387 1053553827 /nfs/dbraw/zinc/55/38/27/1053553827.db2.gz CQZICDWMVFUQTE-UHFFFAOYSA-N 1 0 302.780 4.203 20 30 DIEDRO Cc1ccc2cc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)ccc2n1 ZINC000619748657 1053554390 /nfs/dbraw/zinc/55/43/90/1053554390.db2.gz KZLMSYRTBIAARO-UHFFFAOYSA-N 1 0 321.811 4.358 20 30 DIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748664 1053554882 /nfs/dbraw/zinc/55/48/82/1053554882.db2.gz QDEFQHXJMQSGGP-UHFFFAOYSA-N 1 0 314.816 4.290 20 30 DIEDRO N#Cc1ccc(C[NH2+]C/C=C\c2ccc(F)cc2F)cc1Cl ZINC000619748499 1053554946 /nfs/dbraw/zinc/55/49/46/1053554946.db2.gz MRDPJYPZKBMGOX-UPHRSURJSA-N 1 0 318.754 4.293 20 30 DIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccccc2SCC)CC1 ZINC000152980289 1053563240 /nfs/dbraw/zinc/56/32/40/1053563240.db2.gz PBCMARGOTQMSOC-MRXNPFEDSA-N 1 0 318.530 4.490 20 30 DIEDRO N#Cc1ccc(C[NH2+]CCSCc2ccccc2)cc1Cl ZINC000619847266 1053567918 /nfs/dbraw/zinc/56/79/18/1053567918.db2.gz KYBIKXBMFQDXJU-UHFFFAOYSA-N 1 0 316.857 4.235 20 30 DIEDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CS1 ZINC000619847312 1053568533 /nfs/dbraw/zinc/56/85/33/1053568533.db2.gz SHKAZEFSNHWMAC-DZGCQCFKSA-N 1 0 308.878 4.221 20 30 DIEDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CS1 ZINC000619847339 1053569398 /nfs/dbraw/zinc/56/93/98/1053569398.db2.gz SHKAZEFSNHWMAC-UKRRQHHQSA-N 1 0 308.878 4.221 20 30 DIEDRO Cc1cc(C#N)ccc1O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001230683465 1053582227 /nfs/dbraw/zinc/58/22/27/1053582227.db2.gz BMEBIDOPKCBEPV-GOSISDBHSA-N 1 0 324.399 4.049 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC001324021813 1053616702 /nfs/dbraw/zinc/61/67/02/1053616702.db2.gz MFSIRLIGLYCMIP-DGCLKSJQSA-N 1 0 319.392 4.193 20 30 DIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000131010667 1053622367 /nfs/dbraw/zinc/62/23/67/1053622367.db2.gz LTCVYFAKIRKTCU-ACJLOTCBSA-N 1 0 314.816 4.250 20 30 DIEDRO C=CCc1cccc(O[C@H]2CCN3Cc4ccccc4N=C23)c1 ZINC001231010358 1053648606 /nfs/dbraw/zinc/64/86/06/1053648606.db2.gz PZAVLPSSMZJWJF-IBGZPJMESA-N 1 0 304.393 4.112 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC001200451078 1053672555 /nfs/dbraw/zinc/67/25/55/1053672555.db2.gz WWAAVFQAAOQJGR-LYRGGWFBSA-N 1 0 314.256 4.361 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)Cc2ccc(C)cc2C)cc1 ZINC001200459529 1053678636 /nfs/dbraw/zinc/67/86/36/1053678636.db2.gz FIEOIFVNENXQCI-LJQANCHMSA-N 1 0 321.464 4.426 20 30 DIEDRO C[N@@H+]1CCC[C@H](Oc2ccc(/N=C/c3ccccc3)cc2)CC1 ZINC001231199764 1053699004 /nfs/dbraw/zinc/69/90/04/1053699004.db2.gz FOTAJKTYOINRSL-XSLGSPGOSA-N 1 0 308.425 4.300 20 30 DIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC001353899660 1053700889 /nfs/dbraw/zinc/70/08/89/1053700889.db2.gz PWJQYBMENXHEFD-LJQANCHMSA-N 1 0 319.383 4.346 20 30 DIEDRO C[C@H]([NH2+]CCc1ccc(OC(C)(C)C)cc1)c1cc(C#N)ccn1 ZINC001353932023 1053712513 /nfs/dbraw/zinc/71/25/13/1053712513.db2.gz CSMFTMUXFDSQEW-HNNXBMFYSA-N 1 0 323.440 4.024 20 30 DIEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000154137022 1053726144 /nfs/dbraw/zinc/72/61/44/1053726144.db2.gz INWITPQVMKSWSO-DLBZAZTESA-N 1 0 316.445 4.046 20 30 DIEDRO C=C(C[NH2+]Cc1ccc(OCCC)c(OC)c1)c1ccccc1 ZINC000620756506 1053728282 /nfs/dbraw/zinc/72/82/82/1053728282.db2.gz GUPXSPBXBKEZRY-UHFFFAOYSA-N 1 0 311.425 4.287 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001200526892 1053736043 /nfs/dbraw/zinc/73/60/43/1053736043.db2.gz XHEMXTOCBBGVIP-JTQLQIEISA-N 1 0 302.643 4.465 20 30 DIEDRO CSCc1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC001325887919 1053740699 /nfs/dbraw/zinc/74/06/99/1053740699.db2.gz NWUIKIUGNBXDMI-UHFFFAOYSA-N 1 0 322.477 4.263 20 30 DIEDRO CC(C)CC[C@H]([NH2+]Cc1cccc(OCC#N)c1)c1ccoc1 ZINC001325887713 1053740830 /nfs/dbraw/zinc/74/08/30/1053740830.db2.gz JXKINWYXWRPOIL-IBGZPJMESA-N 1 0 312.413 4.449 20 30 DIEDRO C#Cc1ccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)cc1 ZINC001200551070 1053752173 /nfs/dbraw/zinc/75/21/73/1053752173.db2.gz BAHBZHABHUZWAG-QFIPXVFZSA-N 1 0 319.448 4.242 20 30 DIEDRO CN(C)c1ccc2cc(C[N@@H+]3CCC[C@H](C#N)CC3)ccc2c1 ZINC001231441749 1053753827 /nfs/dbraw/zinc/75/38/27/1053753827.db2.gz DQZIWWHQNGDOHT-INIZCTEOSA-N 1 0 307.441 4.031 20 30 DIEDRO CN(C)c1ccc2cc(C[NH+]3CCC(CC#N)CC3)ccc2c1 ZINC001231441278 1053754019 /nfs/dbraw/zinc/75/40/19/1053754019.db2.gz KXWWQHYYJHMQGE-UHFFFAOYSA-N 1 0 307.441 4.031 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc([C@@H](C)C(F)(F)F)cc2)C1 ZINC001326501256 1053786351 /nfs/dbraw/zinc/78/63/51/1053786351.db2.gz DOUQLLCRBWHIHB-CZUORRHYSA-N 1 0 313.363 4.129 20 30 DIEDRO C[N@H+](Cc1ccccc1C#Cc1ccccc1)C1CC(F)(F)C1 ZINC001231576695 1053786398 /nfs/dbraw/zinc/78/63/98/1053786398.db2.gz GKOCAOIKZRODCS-UHFFFAOYSA-N 1 0 311.375 4.316 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc([C@@H](C)C(F)(F)F)cc2)C1 ZINC001326501255 1053786885 /nfs/dbraw/zinc/78/68/85/1053786885.db2.gz DOUQLLCRBWHIHB-CJNGLKHVSA-N 1 0 313.363 4.129 20 30 DIEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578072 1053788684 /nfs/dbraw/zinc/78/86/84/1053788684.db2.gz IOQLRAOPGVIUMW-FQEVSTJZSA-N 1 0 314.432 4.212 20 30 DIEDRO CO[C@H]1CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001231578457 1053788759 /nfs/dbraw/zinc/78/87/59/1053788759.db2.gz OMRGNAODIVVGAU-QFIPXVFZSA-N 1 0 319.448 4.087 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1cccc(C)c1C)C1CC1 ZINC001231621886 1053803950 /nfs/dbraw/zinc/80/39/50/1053803950.db2.gz LIOLQAYNIVARFB-UHFFFAOYSA-N 1 0 320.436 4.348 20 30 DIEDRO C=CCOc1cccc(C[N@H+](CC)Cc2ccc(OC)cc2)c1 ZINC001231624635 1053804415 /nfs/dbraw/zinc/80/44/15/1053804415.db2.gz SPHSSOISQAPLLJ-UHFFFAOYSA-N 1 0 311.425 4.282 20 30 DIEDRO C=CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001231623890 1053804701 /nfs/dbraw/zinc/80/47/01/1053804701.db2.gz AEWADIIUOUWMKD-HDICACEKSA-N 1 0 305.421 4.338 20 30 DIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)c1 ZINC001231624160 1053805584 /nfs/dbraw/zinc/80/55/84/1053805584.db2.gz FTQFBQCCBVFBLM-FQEVSTJZSA-N 1 0 308.425 4.292 20 30 DIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C1CCC1 ZINC001231622058 1053806852 /nfs/dbraw/zinc/80/68/52/1053806852.db2.gz OVTHYHLWALDWGC-UHFFFAOYSA-N 1 0 306.409 4.122 20 30 DIEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC001326863019 1053807260 /nfs/dbraw/zinc/80/72/60/1053807260.db2.gz IWPRRXVCQUAVQD-FUHWJXTLSA-N 1 0 300.446 4.283 20 30 DIEDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](CC#N)C2)cc1C(C)C ZINC001231626600 1053808136 /nfs/dbraw/zinc/80/81/36/1053808136.db2.gz NBPOSCZZKLNZKG-MRXNPFEDSA-N 1 0 300.446 4.253 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1 ZINC001200623074 1053825011 /nfs/dbraw/zinc/82/50/11/1053825011.db2.gz UGLQKZCGCGRMSF-KUHUBIRLSA-N 1 0 313.828 4.187 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC001327348342 1053853679 /nfs/dbraw/zinc/85/36/79/1053853679.db2.gz MHLYZUFEQCHAMI-XJKSGUPXSA-N 1 0 313.363 4.086 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC001436461532 1053870185 /nfs/dbraw/zinc/87/01/85/1053870185.db2.gz GQPBIKZVQFYOGQ-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC001231819862 1053875139 /nfs/dbraw/zinc/87/51/39/1053875139.db2.gz IGHWQPFYEXQINZ-QUCCMNQESA-N 1 0 311.473 4.191 20 30 DIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001231820848 1053876655 /nfs/dbraw/zinc/87/66/55/1053876655.db2.gz YBLFGYZNHRUVST-MOPGFXCFSA-N 1 0 311.473 4.049 20 30 DIEDRO C=CCOCC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000671120226 1053890744 /nfs/dbraw/zinc/89/07/44/1053890744.db2.gz FCYHHSXYBZUJIJ-HNNXBMFYSA-N 1 0 300.446 4.016 20 30 DIEDRO C#CCN(Cc1ccnc(C(F)F)c1)[C@@H]1CCc2ccccc21 ZINC001231890037 1053905358 /nfs/dbraw/zinc/90/53/58/1053905358.db2.gz RZHKJTPSPGLDOO-GOSISDBHSA-N 1 0 312.363 4.142 20 30 DIEDRO C[N@H+](CCc1cccc(Nc2cccc(F)c2C#N)c1)C1CC1 ZINC001472747408 1053919954 /nfs/dbraw/zinc/91/99/54/1053919954.db2.gz WFAXVDXQMLKGGQ-UHFFFAOYSA-N 1 0 309.388 4.078 20 30 DIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001354613974 1053924473 /nfs/dbraw/zinc/92/44/73/1053924473.db2.gz JYKCRYGELIHQST-OAHLLOKOSA-N 1 0 324.472 4.286 20 30 DIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)c1 ZINC000277739690 1053929115 /nfs/dbraw/zinc/92/91/15/1053929115.db2.gz OSPQWZNCMHQCJW-CQSZACIVSA-N 1 0 301.434 4.016 20 30 DIEDRO N#CCCN(Cc1cc2c[nH+]ccc2[nH]1)C1CCCCCCC1 ZINC001232014402 1053938318 /nfs/dbraw/zinc/93/83/18/1053938318.db2.gz HFKLBYFXZOATCO-UHFFFAOYSA-N 1 0 310.445 4.391 20 30 DIEDRO CCCCCCC[N@H+](C)Cc1ccnc(Br)c1F ZINC001232030732 1053943801 /nfs/dbraw/zinc/94/38/01/1053943801.db2.gz YAYVRLKZBMZMOH-UHFFFAOYSA-N 1 0 317.246 4.385 20 30 DIEDRO CCCCCCCCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001300722267 1053975611 /nfs/dbraw/zinc/97/56/11/1053975611.db2.gz FLFHBIZHXMKKFS-KRWDZBQOSA-N 1 0 310.526 4.364 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(NC(C)=O)cc1C)C1CCCCC1 ZINC001232190630 1053982311 /nfs/dbraw/zinc/98/23/11/1053982311.db2.gz QNOGTXUTFGRMEE-UHFFFAOYSA-N 1 0 300.446 4.274 20 30 DIEDRO C#C[C@@H](NC(=[NH2+])Nc1ccc(C)cc1)c1ccc(Cl)cc1F ZINC001330028087 1054014784 /nfs/dbraw/zinc/01/47/84/1054014784.db2.gz SYOHDNIEWDZQPO-MRXNPFEDSA-N 1 0 315.779 4.098 20 30 DIEDRO C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001330353595 1054034576 /nfs/dbraw/zinc/03/45/76/1054034576.db2.gz IGIBOSCKQABAPD-JLTOFOAXSA-N 1 0 324.399 4.141 20 30 DIEDRO CCCCCCC[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC001330963149 1054056621 /nfs/dbraw/zinc/05/66/21/1054056621.db2.gz LSVSKVZTQPXCCE-IBGZPJMESA-N 1 0 314.473 4.405 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC001331057100 1054059343 /nfs/dbraw/zinc/05/93/43/1054059343.db2.gz CQCPRTVRMBLRMH-QWRGUYRKSA-N 1 0 300.324 4.018 20 30 DIEDRO C(#CC1CC[NH+](Cc2cc3ccoc3cn2)CC1)c1ccccc1 ZINC001232557123 1054068576 /nfs/dbraw/zinc/06/85/76/1054068576.db2.gz OQSALCZBBZYGCK-UHFFFAOYSA-N 1 0 316.404 4.092 20 30 DIEDRO N#Cc1cc(Cl)ccc1CN1CC[C@@H](c2ccccc2F)C1 ZINC001232608964 1054078896 /nfs/dbraw/zinc/07/88/96/1054078896.db2.gz CSDXTPFMDVAKMQ-CQSZACIVSA-N 1 0 314.791 4.340 20 30 DIEDRO C=C(C)CCC(=O)N(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001355395359 1054122839 /nfs/dbraw/zinc/12/28/39/1054122839.db2.gz BZGDUEDVPFFRMT-UHFFFAOYSA-N 1 0 308.510 4.281 20 30 DIEDRO C[C@@H](COc1ccccc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000848530679 1054128371 /nfs/dbraw/zinc/12/83/71/1054128371.db2.gz DSWMGZYKVDOGTK-INIZCTEOSA-N 1 0 308.425 4.045 20 30 DIEDRO C=C(C)CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000386834036 1054128714 /nfs/dbraw/zinc/12/87/14/1054128714.db2.gz IHDKIRSQLCJIBV-UHFFFAOYSA-N 1 0 305.219 4.053 20 30 DIEDRO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001232844101 1054129743 /nfs/dbraw/zinc/12/97/43/1054129743.db2.gz PBNPLOIKADZIIZ-SFHVURJKSA-N 1 0 312.438 4.356 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1c[nH]c2cc(Br)ncc12 ZINC001232861692 1054132887 /nfs/dbraw/zinc/13/28/87/1054132887.db2.gz BUCSMSZIYKUSTK-UHFFFAOYSA-N 1 0 322.250 4.114 20 30 DIEDRO C=C[C@](C)(CC)c1nnc(-c2ccc(C[NH+](CC)CC)o2)o1 ZINC001333110495 1054142036 /nfs/dbraw/zinc/14/20/36/1054142036.db2.gz IAHILIVZKQWXLX-QGZVFWFLSA-N 1 0 303.406 4.025 20 30 DIEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232899592 1054143337 /nfs/dbraw/zinc/14/33/37/1054143337.db2.gz SBYAVZAKSOMAQF-CQSZACIVSA-N 1 0 307.235 4.085 20 30 DIEDRO Cc1cnc([C@H]([NH2+]CCCCC2(C#N)CCC2)C2CC2)s1 ZINC001333312792 1054150131 /nfs/dbraw/zinc/15/01/31/1054150131.db2.gz KXMKLHOMNOKDEL-OAHLLOKOSA-N 1 0 303.475 4.356 20 30 DIEDRO N#Cc1cccc(C[N@H+](Cc2ccccc2)C2CCCCC2)n1 ZINC001232923239 1054150594 /nfs/dbraw/zinc/15/05/94/1054150594.db2.gz SMTROHIAZXVCSL-UHFFFAOYSA-N 1 0 305.425 4.288 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)n1)C(c1ccccc1)c1ccccc1 ZINC001232921624 1054150695 /nfs/dbraw/zinc/15/06/95/1054150695.db2.gz ARTSRAOAVPHHJZ-UHFFFAOYSA-N 1 0 313.404 4.175 20 30 DIEDRO COCc1ccc([C@@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)o1 ZINC001333357348 1054151420 /nfs/dbraw/zinc/15/14/20/1054151420.db2.gz USDFMCBGBAHVRX-KRWDZBQOSA-N 1 0 316.445 4.427 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(OC(F)F)nc1 ZINC001232955080 1054159742 /nfs/dbraw/zinc/15/97/42/1054159742.db2.gz VEPGQSDYQOTMTI-UHFFFAOYSA-N 1 0 318.367 4.261 20 30 DIEDRO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001333924517 1054175574 /nfs/dbraw/zinc/17/55/74/1054175574.db2.gz QIRAEZPWFLBVBL-UHFFFAOYSA-N 1 0 315.420 4.355 20 30 DIEDRO C[C@@H]([NH2+]CCCCC1(C#N)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001334049757 1054180585 /nfs/dbraw/zinc/18/05/85/1054180585.db2.gz SQDGEJFHMKMSKI-MSOLQXFVSA-N 1 0 317.521 4.093 20 30 DIEDRO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001334167265 1054184585 /nfs/dbraw/zinc/18/45/85/1054184585.db2.gz DVLQGKRCHAULCC-UHFFFAOYSA-N 1 0 312.413 4.078 20 30 DIEDRO N#CCOc1cccc(C[NH2+]Cc2cc(Cl)ccc2Cl)c1 ZINC001335621372 1054221364 /nfs/dbraw/zinc/22/13/64/1054221364.db2.gz ORZCSAVTVKPUEE-UHFFFAOYSA-N 1 0 321.207 4.186 20 30 DIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(C(C)(C)C)ccc1O ZINC001233287001 1054225301 /nfs/dbraw/zinc/22/53/01/1054225301.db2.gz RNCQLVDZLGFGFK-UHFFFAOYSA-N 1 0 308.425 4.193 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC001337637327 1054278196 /nfs/dbraw/zinc/27/81/96/1054278196.db2.gz XWOHJWODDWQXOH-OAHLLOKOSA-N 1 0 323.392 4.069 20 30 DIEDRO C[N@@H+]1CCC[C@@H](Oc2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC001233511562 1054286254 /nfs/dbraw/zinc/28/62/54/1054286254.db2.gz JKUNRCNKWKSXTF-LJQANCHMSA-N 1 0 306.409 4.088 20 30 DIEDRO CC(C)[NH+]1CCC(Oc2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC001233510112 1054286662 /nfs/dbraw/zinc/28/66/62/1054286662.db2.gz DOWFOZFODDMHDR-UHFFFAOYSA-N 1 0 320.436 4.477 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC001338111817 1054296952 /nfs/dbraw/zinc/29/69/52/1054296952.db2.gz GUSAYGWOVYZRDU-YJBOKZPZSA-N 1 0 311.425 4.214 20 30 DIEDRO Cc1ccc(C[C@H](C#N)SCC[N@@H+](C)Cc2ccccc2)cc1 ZINC001473023918 1054314544 /nfs/dbraw/zinc/31/45/44/1054314544.db2.gz WYLAJKDIXAXEPA-HXUWFJFHSA-N 1 0 324.493 4.295 20 30 DIEDRO C=C(C)C(C)(C)C(=O)N[C@H](CC[NH+](CC)CC)c1ccccc1 ZINC001440142429 1054333034 /nfs/dbraw/zinc/33/30/34/1054333034.db2.gz OYDRITZIQNQRAY-GOSISDBHSA-N 1 0 316.489 4.178 20 30 DIEDRO CC(C)OCCCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849017473 1054340918 /nfs/dbraw/zinc/34/09/18/1054340918.db2.gz JWVXDFJVUNWVCI-UHFFFAOYSA-N 1 0 317.477 4.146 20 30 DIEDRO C=C[C@H](COC)[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001339892443 1054350395 /nfs/dbraw/zinc/35/03/95/1054350395.db2.gz GXDGNFDJSZHWOV-IMJJTQAJSA-N 1 0 313.363 4.132 20 30 DIEDRO c1ccc(NC(=[NH+]C[C@@H]2Cc3ccccc32)N2CCCCC2)cc1 ZINC000849071857 1054375354 /nfs/dbraw/zinc/37/53/54/1054375354.db2.gz KCFZYUDACUTODZ-SFHVURJKSA-N 1 0 319.452 4.280 20 30 DIEDRO Cc1cc(-c2ccccc2)ccc1O[C@H](CC#N)C[N+](C)(C)C ZINC001233929893 1054392180 /nfs/dbraw/zinc/39/21/80/1054392180.db2.gz JITDMMGXZGPJTH-LJQANCHMSA-N 1 0 309.433 4.029 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC001341745864 1054409179 /nfs/dbraw/zinc/40/91/79/1054409179.db2.gz LUANTAHLTSHSIV-NSHDSACASA-N 1 0 318.779 4.210 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001442105506 1054409350 /nfs/dbraw/zinc/40/93/50/1054409350.db2.gz LZYCQZYBCKFLIM-IPMKNSEASA-N 1 0 322.537 4.316 20 30 DIEDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC001343273531 1054441452 /nfs/dbraw/zinc/44/14/52/1054441452.db2.gz QOUYGEYAQNZTNT-PZJWPPBQSA-N 1 0 320.436 4.189 20 30 DIEDRO CC(C)Oc1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC001343274156 1054441935 /nfs/dbraw/zinc/44/19/35/1054441935.db2.gz ZGBZMRIPICXXGY-UHFFFAOYSA-N 1 0 320.436 4.187 20 30 DIEDRO Cc1cccc(N(C)c2ccc(C[NH+]3CCC(C#N)CC3)cc2)c1 ZINC001234158562 1054443453 /nfs/dbraw/zinc/44/34/53/1054443453.db2.gz PSALGDVRRPGLSA-UHFFFAOYSA-N 1 0 319.452 4.499 20 30 DIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001343831941 1054453348 /nfs/dbraw/zinc/45/33/48/1054453348.db2.gz OUGPGONZTSJAKZ-MRXNPFEDSA-N 1 0 324.472 4.462 20 30 DIEDRO CN(c1ccc(C[NH+]2CCC(C#N)CC2)cc1)c1ccccc1F ZINC001234222366 1054460142 /nfs/dbraw/zinc/46/01/42/1054460142.db2.gz QBAQRLDVQLNJKP-UHFFFAOYSA-N 1 0 323.415 4.329 20 30 DIEDRO C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1cccc(OCC#N)c1 ZINC001344062521 1054461538 /nfs/dbraw/zinc/46/15/38/1054461538.db2.gz QWMLSCWZROKKMS-HNNXBMFYSA-N 1 0 320.392 4.056 20 30 DIEDRO C[C@H](Cc1coc2ccccc12)[NH2+]Cc1cccc(OCC#N)c1 ZINC001344062524 1054462578 /nfs/dbraw/zinc/46/25/78/1054462578.db2.gz QWMLSCWZROKKMS-OAHLLOKOSA-N 1 0 320.392 4.056 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000174141333 1054503763 /nfs/dbraw/zinc/50/37/63/1054503763.db2.gz ZTHGJTDRXNIJON-UHFFFAOYSA-N 1 0 316.779 4.361 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000174393677 1054508077 /nfs/dbraw/zinc/50/80/77/1054508077.db2.gz VKRDQFNUAOTVCJ-IBGZPJMESA-N 1 0 314.473 4.390 20 30 DIEDRO Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc(C)c1C ZINC001234389913 1054514994 /nfs/dbraw/zinc/51/49/94/1054514994.db2.gz YICZUPKKAWQUEM-HXUWFJFHSA-N 1 0 320.436 4.137 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1cnc(OC)c(Cl)c1)c1ccccc1 ZINC000671295643 1054527706 /nfs/dbraw/zinc/52/77/06/1054527706.db2.gz ROROMHNOYRNLPI-CYBMUJFWSA-N 1 0 302.805 4.108 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1)c1ccccc1 ZINC000671295644 1054528147 /nfs/dbraw/zinc/52/81/47/1054528147.db2.gz ROROMHNOYRNLPI-ZDUSSCGKSA-N 1 0 302.805 4.108 20 30 DIEDRO C=C(C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000671295648 1054528683 /nfs/dbraw/zinc/52/86/83/1054528683.db2.gz TXLISMDUOAGOES-ZLGUVYLKSA-N 1 0 307.437 4.490 20 30 DIEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072775777 1054532802 /nfs/dbraw/zinc/53/28/02/1054532802.db2.gz CSVHYBBMMHRTDA-YOEHRIQHSA-N 1 0 324.428 4.009 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccoc2C)cc1OC ZINC000623372360 1054579189 /nfs/dbraw/zinc/57/91/89/1054579189.db2.gz QQKNHBNOTQIIPG-UHFFFAOYSA-N 1 0 321.804 4.105 20 30 DIEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(F)c1Br ZINC000380125770 1054590798 /nfs/dbraw/zinc/59/07/98/1054590798.db2.gz NQBBPRMLMSOKCY-UHFFFAOYSA-N 1 0 300.215 4.280 20 30 DIEDRO C[C@@H]([C@H](Oc1ccccc1C=NO)c1ccccc1)[NH+]1CCCC1 ZINC001234823460 1054594536 /nfs/dbraw/zinc/59/45/36/1054594536.db2.gz UZUJQTAEMGSJET-JXFKEZNVSA-N 1 0 324.424 4.099 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C)cc2C)c1 ZINC000073012115 1054613974 /nfs/dbraw/zinc/61/39/74/1054613974.db2.gz HDJCBKODTGBBOI-LJQANCHMSA-N 1 0 308.425 4.274 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997132 1054640945 /nfs/dbraw/zinc/64/09/45/1054640945.db2.gz TYBHEXKZWRDFFO-MRXNPFEDSA-N 1 0 306.409 4.185 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001450355775 1054646210 /nfs/dbraw/zinc/64/62/10/1054646210.db2.gz VMSYIWPFICDNRT-ZCPJJFRWSA-N 1 0 320.521 4.238 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC001450407128 1054647896 /nfs/dbraw/zinc/64/78/96/1054647896.db2.gz HQEAPHYLMCUZMM-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC001168529333 1054648253 /nfs/dbraw/zinc/64/82/53/1054648253.db2.gz KTMKFGBBCZDSNM-KRWDZBQOSA-N 1 0 315.461 4.081 20 30 DIEDRO C=CCCCCCCN1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235072055 1054651468 /nfs/dbraw/zinc/65/14/68/1054651468.db2.gz HNKKDHNTBFFSAR-OAHLLOKOSA-N 1 0 318.427 4.272 20 30 DIEDRO CCCCCCC/C=C/CN1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235087664 1054653343 /nfs/dbraw/zinc/65/33/43/1054653343.db2.gz IXBUFZREGYUWFV-IJDCCNJMSA-N 1 0 314.464 4.224 20 30 DIEDRO C=CC[C@@H](C)[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307683483 1054707048 /nfs/dbraw/zinc/70/70/48/1054707048.db2.gz MFNOKSPIADZJNJ-MRXNPFEDSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccccc1 ZINC000180042913 1054728020 /nfs/dbraw/zinc/72/80/20/1054728020.db2.gz PBXWYSSDDREQTA-IBGZPJMESA-N 1 0 306.409 4.364 20 30 DIEDRO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccccc2CC#N)c1 ZINC001235522200 1054735910 /nfs/dbraw/zinc/73/59/10/1054735910.db2.gz ASMPWGJFUQHXJW-OAQYLSRUSA-N 1 0 320.436 4.488 20 30 DIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2CC#N)cc1 ZINC001235522699 1054736863 /nfs/dbraw/zinc/73/68/63/1054736863.db2.gz INPRZBGVXUQLFC-FQEVSTJZSA-N 1 0 306.409 4.098 20 30 DIEDRO N#CCc1ccccc1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001235527762 1054737554 /nfs/dbraw/zinc/73/75/54/1054737554.db2.gz LFPPFURJAHAMCQ-GOSISDBHSA-N 1 0 310.828 4.396 20 30 DIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2CC#N)c1 ZINC001235530468 1054738064 /nfs/dbraw/zinc/73/80/64/1054738064.db2.gz VBZSWXSNLIKRTJ-FQEVSTJZSA-N 1 0 306.409 4.098 20 30 DIEDRO N#CCc1ccccc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235523450 1054738676 /nfs/dbraw/zinc/73/86/76/1054738676.db2.gz RWGRMILPBKGASC-LJQANCHMSA-N 1 0 304.437 4.207 20 30 DIEDRO N#CCc1ccccc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235523448 1054739047 /nfs/dbraw/zinc/73/90/47/1054739047.db2.gz RWGRMILPBKGASC-IBGZPJMESA-N 1 0 304.437 4.207 20 30 DIEDRO C=CCCC[N@@H+](CC)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001473861886 1054763331 /nfs/dbraw/zinc/76/33/31/1054763331.db2.gz PTTARMASFGNDPK-OAHLLOKOSA-N 1 0 302.245 4.315 20 30 DIEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180952145 1054782318 /nfs/dbraw/zinc/78/23/18/1054782318.db2.gz WIBRCBNVPODBMF-GJZGRUSLSA-N 1 0 321.486 4.018 20 30 DIEDRO N#CCC1CCN(Cc2c(F)cc(Cl)cc2Cl)CC1 ZINC001235744710 1054796133 /nfs/dbraw/zinc/79/61/33/1054796133.db2.gz COCRIPLDQKLRMN-UHFFFAOYSA-N 1 0 301.192 4.258 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3ccc(F)c(C#N)c3)c(C)c2)CC1 ZINC001235889927 1054830638 /nfs/dbraw/zinc/83/06/38/1054830638.db2.gz KWBKTGOCZNPRGL-UHFFFAOYSA-N 1 0 321.399 4.177 20 30 DIEDRO FC1(F)CC[C@H](C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849097525 1054834659 /nfs/dbraw/zinc/83/46/59/1054834659.db2.gz SOWKSFUXVUUPOP-HNNXBMFYSA-N 1 0 321.415 4.376 20 30 DIEDRO C=CCC[C@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1ccco1 ZINC000624032450 1054861359 /nfs/dbraw/zinc/86/13/59/1054861359.db2.gz MUXIAJZHPCNVTJ-HKUYNNGSSA-N 1 0 315.413 4.273 20 30 DIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000624038269 1054864282 /nfs/dbraw/zinc/86/42/82/1054864282.db2.gz ZPMBHCQAQCDMGW-VIFPVBQESA-N 1 0 303.269 4.159 20 30 DIEDRO N#CCSCCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000181500973 1054917983 /nfs/dbraw/zinc/91/79/83/1054917983.db2.gz OKEHYASWRVRTRN-KRWDZBQOSA-N 1 0 306.450 4.293 20 30 DIEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000181862727 1054944401 /nfs/dbraw/zinc/94/44/01/1054944401.db2.gz HEKROJGQSICWIW-KRWDZBQOSA-N 1 0 322.427 4.128 20 30 DIEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCCSCC#N)cc1 ZINC000182111078 1054961557 /nfs/dbraw/zinc/96/15/57/1054961557.db2.gz UWMUPOJNJHRSKK-CQSZACIVSA-N 1 0 308.516 4.485 20 30 DIEDRO CCCCCCCOc1ccc(CN2CCC[NH2+]CCC2)cc1 ZINC001236241187 1055027648 /nfs/dbraw/zinc/02/76/48/1055027648.db2.gz WGKIUULWZGSRTQ-UHFFFAOYSA-N 1 0 318.505 4.221 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2cc(C3(C#N)CC3)ccn2)c1 ZINC001236317795 1055053383 /nfs/dbraw/zinc/05/33/83/1055053383.db2.gz ISKCLUCMOYKWMW-UHFFFAOYSA-N 1 0 323.415 4.285 20 30 DIEDRO CC[NH+](CC)Cc1ccc(F)c(-c2ccnc3[nH]cc(C#N)c32)c1 ZINC001236326979 1055059023 /nfs/dbraw/zinc/05/90/23/1055059023.db2.gz VWEVMRJUKRTSKA-UHFFFAOYSA-N 1 0 322.387 4.034 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184093423 1055068287 /nfs/dbraw/zinc/06/82/87/1055068287.db2.gz UFWNPFALRFKIDP-ZDUSSCGKSA-N 1 0 315.398 4.105 20 30 DIEDRO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184093441 1055068708 /nfs/dbraw/zinc/06/87/08/1055068708.db2.gz UFWNPFALRFKIDP-CYBMUJFWSA-N 1 0 315.398 4.105 20 30 DIEDRO CCCCCCC/C=C/CN1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236354556 1055071197 /nfs/dbraw/zinc/07/11/97/1055071197.db2.gz KIYZRZCJRGQDDN-PQAPVRDISA-N 1 0 306.416 4.115 20 30 DIEDRO C=CCCCCCCCCN1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001236363658 1055074828 /nfs/dbraw/zinc/07/48/28/1055074828.db2.gz VPQRRKPGPVRTPS-CABCVRRESA-N 1 0 306.416 4.115 20 30 DIEDRO C[C@@H]([NH2+]CCCSCC#N)c1nc(-c2ccccc2)cs1 ZINC000184516894 1055077218 /nfs/dbraw/zinc/07/72/18/1055077218.db2.gz SGHDBOXLXNTZAL-CYBMUJFWSA-N 1 0 317.483 4.108 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cncc(OC)c2C)cc1 ZINC001236390403 1055091133 /nfs/dbraw/zinc/09/11/33/1055091133.db2.gz DHMBOXYXGWYLOM-IBGZPJMESA-N 1 0 308.425 4.389 20 30 DIEDRO COc1ccc(-c2ccc(C[NH2+]CC(C)C)cc2)c(CC#N)c1 ZINC001236435704 1055112109 /nfs/dbraw/zinc/11/21/09/1055112109.db2.gz GQXODVAZZXEGGR-UHFFFAOYSA-N 1 0 308.425 4.174 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(C#N)c3[nH]ccc32)cc1 ZINC001236436543 1055113467 /nfs/dbraw/zinc/11/34/67/1055113467.db2.gz OBQOSQVFXIAHEF-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO CC(C)C[NH2+]Cc1ccc(-c2cc(C#N)cc3[nH]ccc32)cc1 ZINC001236445369 1055116087 /nfs/dbraw/zinc/11/60/87/1055116087.db2.gz BBQYDWUIIMVIFH-UHFFFAOYSA-N 1 0 303.409 4.452 20 30 DIEDRO CCCCCCCCCN(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236448238 1055117516 /nfs/dbraw/zinc/11/75/16/1055117516.db2.gz QVNRGWVNPNEVQI-UHFFFAOYSA-N 1 0 317.521 4.386 20 30 DIEDRO Cc1ccnc(C#N)c1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001236474141 1055133975 /nfs/dbraw/zinc/13/39/75/1055133975.db2.gz QAUGJNVKFXZYJG-MOPGFXCFSA-N 1 0 315.420 4.082 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001536684082 1055154867 /nfs/dbraw/zinc/15/48/67/1055154867.db2.gz SNCRCFFMJFZMCU-KRWDZBQOSA-N 1 0 310.526 4.316 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(C#N)cc2F)nc1 ZINC001236523928 1055160271 /nfs/dbraw/zinc/16/02/71/1055160271.db2.gz KASZWLMPAXGWFB-CQSZACIVSA-N 1 0 309.388 4.134 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(C#N)cc2F)nc1 ZINC001236523927 1055160294 /nfs/dbraw/zinc/16/02/94/1055160294.db2.gz KASZWLMPAXGWFB-AWEZNQCLSA-N 1 0 309.388 4.134 20 30 DIEDRO N#Cc1ccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c(F)c1 ZINC001236532874 1055165478 /nfs/dbraw/zinc/16/54/78/1055165478.db2.gz JQWKTLDOAXCSJE-UHFFFAOYSA-N 1 0 312.363 4.489 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2cc(C#N)ccc2OC)cc1F ZINC001236544620 1055173095 /nfs/dbraw/zinc/17/30/95/1055173095.db2.gz BBUKXWYHFDWNKJ-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCOC(C)C)cc1 ZINC000764571847 1055210971 /nfs/dbraw/zinc/21/09/71/1055210971.db2.gz KWJPZCJUCAQDFK-OAHLLOKOSA-N 1 0 311.853 4.284 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OCC)c(Br)c1 ZINC001236666109 1055220324 /nfs/dbraw/zinc/22/03/24/1055220324.db2.gz GGZIJTYYWGHFDO-UHFFFAOYSA-N 1 0 312.251 4.246 20 30 DIEDRO C=CC(C)(C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC001537131214 1055235111 /nfs/dbraw/zinc/23/51/11/1055235111.db2.gz PTRMOOKTGRTJQX-GOSISDBHSA-N 1 0 316.489 4.178 20 30 DIEDRO C=CC[NH+](CC=C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236788737 1055257649 /nfs/dbraw/zinc/25/76/49/1055257649.db2.gz KMTSOGPLNSOPEH-UHFFFAOYSA-N 1 0 309.409 4.145 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)c(Br)c1)C1CCCCC1 ZINC001236857545 1055294722 /nfs/dbraw/zinc/29/47/22/1055294722.db2.gz YVAGCIAJEXJXAT-UHFFFAOYSA-N 1 0 307.235 4.085 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)c(Br)c1)[C@@H](C)CC ZINC001236854308 1055292060 /nfs/dbraw/zinc/29/20/60/1055292060.db2.gz IQJGKHZQIHREJV-LBPRGKRZSA-N 1 0 309.251 4.331 20 30 DIEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C#N)c(Br)c1 ZINC001236857461 1055294643 /nfs/dbraw/zinc/29/46/43/1055294643.db2.gz XMTOMLVAOYHIIK-VXGBXAGGSA-N 1 0 307.235 4.084 20 30 DIEDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3CCC[C@@H]2C)cc1C#N ZINC000764977629 1055304447 /nfs/dbraw/zinc/30/44/47/1055304447.db2.gz PIOUBCIAIZCQMK-BTYIYWSLSA-N 1 0 320.436 4.370 20 30 DIEDRO C=CCCCC[N@@H+](C)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236903756 1055310790 /nfs/dbraw/zinc/31/07/90/1055310790.db2.gz JZWBTWVATWMUCC-UHFFFAOYSA-N 1 0 303.837 4.314 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Cl)ccc1OC ZINC000765008531 1055314093 /nfs/dbraw/zinc/31/40/93/1055314093.db2.gz FJXIDKWBSDBNCV-KRWDZBQOSA-N 1 0 314.816 4.461 20 30 DIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236991014 1055327548 /nfs/dbraw/zinc/32/75/48/1055327548.db2.gz SKXLFIKLXCBUNO-OAHLLOKOSA-N 1 0 309.388 4.013 20 30 DIEDRO Cc1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](CC#N)C3)cn2)c1C ZINC001236991857 1055329160 /nfs/dbraw/zinc/32/91/60/1055329160.db2.gz FIVMHHGUEQCKBJ-SFHVURJKSA-N 1 0 319.452 4.491 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000765120965 1055331728 /nfs/dbraw/zinc/33/17/28/1055331728.db2.gz NJEHVIWKOQBRCU-VCBZYWHSSA-N 1 0 309.409 4.266 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000765120966 1055331932 /nfs/dbraw/zinc/33/19/32/1055331932.db2.gz NJEHVIWKOQBRCU-YZVOILCLSA-N 1 0 309.409 4.266 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000765120964 1055333100 /nfs/dbraw/zinc/33/31/00/1055333100.db2.gz NJEHVIWKOQBRCU-DOXZYTNZSA-N 1 0 309.409 4.266 20 30 DIEDRO N#CCC1CC[NH+](Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001237003838 1055336570 /nfs/dbraw/zinc/33/65/70/1055336570.db2.gz ICHBGTFQYMXBMS-UHFFFAOYSA-N 1 0 309.388 4.013 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001237005500 1055337328 /nfs/dbraw/zinc/33/73/28/1055337328.db2.gz XSMBRTXVESFVSC-HNNXBMFYSA-N 1 0 309.388 4.013 20 30 DIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237018192 1055340840 /nfs/dbraw/zinc/34/08/40/1055340840.db2.gz RPKLKFYWMWQEKJ-HNNXBMFYSA-N 1 0 310.828 4.247 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OC(C)(C)C ZINC001237026737 1055343902 /nfs/dbraw/zinc/34/39/02/1055343902.db2.gz UVBLTKCJJDJAOT-UHFFFAOYSA-N 1 0 308.425 4.368 20 30 DIEDRO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C(C)(C)C ZINC001237058618 1055355094 /nfs/dbraw/zinc/35/50/94/1055355094.db2.gz CVDAPZHZPVJXEH-UHFFFAOYSA-N 1 0 317.351 4.120 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCCCO2)cc1 ZINC000765343661 1055365691 /nfs/dbraw/zinc/36/56/91/1055365691.db2.gz LWCIRKHMVCCGDD-WMLDXEAASA-N 1 0 309.837 4.038 20 30 DIEDRO C=C(C[NH2+][C@@H](C)c1ccc(OC)c(COC)c1)c1ccccc1 ZINC000765417042 1055383310 /nfs/dbraw/zinc/38/33/10/1055383310.db2.gz QSPNSONTSMVBQQ-INIZCTEOSA-N 1 0 311.425 4.206 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2)cc1 ZINC000765460728 1055396607 /nfs/dbraw/zinc/39/66/07/1055396607.db2.gz JRVQJGFTTDALTD-HOTGVXAUSA-N 1 0 309.409 4.119 20 30 DIEDRO C=CCCC[C@H](C)OC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000765480827 1055397879 /nfs/dbraw/zinc/39/78/79/1055397879.db2.gz KQXLWPZBXGAFGM-KRWDZBQOSA-N 1 0 315.457 4.187 20 30 DIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2nccc(Cl)c2c1 ZINC001237273319 1055412828 /nfs/dbraw/zinc/41/28/28/1055412828.db2.gz RHFASEJYNLMZGC-QKDCVEJESA-N 1 0 311.816 4.155 20 30 DIEDRO C=C(C)[C@@H]1CC=C(CN2Cc3ccccc3C23CC[NH2+]CC3)CC1 ZINC001237299665 1055421499 /nfs/dbraw/zinc/42/14/99/1055421499.db2.gz FUHAVBGOKPQFQJ-LJQANCHMSA-N 1 0 322.496 4.384 20 30 DIEDRO COc1ccc(-c2ccccc2)c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001237311887 1055425037 /nfs/dbraw/zinc/42/50/37/1055425037.db2.gz SWCHKCRNCNCVGU-UHFFFAOYSA-N 1 0 320.436 4.488 20 30 DIEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)NCc2ccccc23)CC1 ZINC001237358695 1055439977 /nfs/dbraw/zinc/43/99/77/1055439977.db2.gz IWFYVPILAQNIGO-LJQANCHMSA-N 1 0 322.496 4.384 20 30 DIEDRO C=CCC[N@@H+](Cc1[nH]nc2cc(OC)ccc21)Cc1ccccc1 ZINC001237391460 1055445608 /nfs/dbraw/zinc/44/56/08/1055445608.db2.gz YJMJQOBLZJQDHQ-UHFFFAOYSA-N 1 0 321.424 4.150 20 30 DIEDRO Cn1cc(C[N@H+](C)CCCc2ccccc2)c2cc(C#N)ccc21 ZINC001237470296 1055457893 /nfs/dbraw/zinc/45/78/93/1055457893.db2.gz HLNJUXNBHJBLCP-UHFFFAOYSA-N 1 0 317.436 4.115 20 30 DIEDRO Cc1ccc(CC[N@@H+](C)Cc2cn(C)c3ccc(C#N)cc23)cc1 ZINC001237471696 1055458156 /nfs/dbraw/zinc/45/81/56/1055458156.db2.gz XXPRRHXJBICHSN-UHFFFAOYSA-N 1 0 317.436 4.033 20 30 DIEDRO CC[N@H+](Cc1cn(C)c2ccc(C#N)cc12)Cc1ccc(C)cc1 ZINC001237472072 1055458782 /nfs/dbraw/zinc/45/87/82/1055458782.db2.gz CUQRDBVPEOWVIO-UHFFFAOYSA-N 1 0 317.436 4.381 20 30 DIEDRO Cn1cc(C[N@@H+]2CCC3(C2)CCCCC3)c2cc(C#N)ccc21 ZINC001237471448 1055459250 /nfs/dbraw/zinc/45/92/50/1055459250.db2.gz FBMSQJJVUOIVBF-UHFFFAOYSA-N 1 0 307.441 4.206 20 30 DIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cc(C#N)c(F)cc1F ZINC001237525122 1055467412 /nfs/dbraw/zinc/46/74/12/1055467412.db2.gz AWJCOKDJHBNHIC-UHFFFAOYSA-N 1 0 312.363 4.415 20 30 DIEDRO N#Cc1cc(CN2CCC[C@@H]2c2cccs2)c(F)cc1F ZINC001237527664 1055467649 /nfs/dbraw/zinc/46/76/49/1055467649.db2.gz WOJZWELCKNNJPQ-OAHLLOKOSA-N 1 0 304.365 4.235 20 30 DIEDRO N#CCCN(Cc1cccc(-c2ccccc2)n1)C1CCCC1 ZINC001237550640 1055472843 /nfs/dbraw/zinc/47/28/43/1055472843.db2.gz QDOKTWIUZGQRDK-UHFFFAOYSA-N 1 0 305.425 4.407 20 30 DIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2ccccc2)n1 ZINC001237550680 1055476100 /nfs/dbraw/zinc/47/61/00/1055476100.db2.gz RQZSCMFNCMHGSK-UHFFFAOYSA-N 1 0 313.404 4.252 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(Cc2ccccc2)CC1 ZINC001620867782 1055493427 /nfs/dbraw/zinc/49/34/27/1055493427.db2.gz AZNLYCVOUQYOGI-UHFFFAOYSA-N 1 0 304.437 4.288 20 30 DIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237644861 1055494552 /nfs/dbraw/zinc/49/45/52/1055494552.db2.gz DVTWXBGJCOQOBZ-HNNXBMFYSA-N 1 0 324.399 4.324 20 30 DIEDRO N#CCC1CC[NH+](Cc2ccc(-c3ccc(O)cc3)cc2)CC1 ZINC001237666688 1055499899 /nfs/dbraw/zinc/49/98/99/1055499899.db2.gz STAFTXBBUCCETQ-UHFFFAOYSA-N 1 0 306.409 4.185 20 30 DIEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001237751651 1055522009 /nfs/dbraw/zinc/52/20/09/1055522009.db2.gz OOBRWSSGOQIPLU-INIZCTEOSA-N 1 0 310.828 4.276 20 30 DIEDRO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237750956 1055522940 /nfs/dbraw/zinc/52/29/40/1055522940.db2.gz DHSOJWUQZRTTIH-UHFFFAOYSA-N 1 0 305.208 4.497 20 30 DIEDRO CCc1cc(Br)ccc1C[NH+]1CCC(CC#N)CC1 ZINC001237749467 1055523111 /nfs/dbraw/zinc/52/31/11/1055523111.db2.gz KCXUYRPRRNVRMP-UHFFFAOYSA-N 1 0 321.262 4.137 20 30 DIEDRO C=CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001621270328 1055525949 /nfs/dbraw/zinc/52/59/49/1055525949.db2.gz SAVJAQLVUXAWHZ-MRXNPFEDSA-N 1 0 324.509 4.358 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC001620907867 1055531387 /nfs/dbraw/zinc/53/13/87/1055531387.db2.gz GUSZNIPHAODGBB-FZMZJTMJSA-N 1 0 312.226 4.423 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC001620916419 1055538768 /nfs/dbraw/zinc/53/87/68/1055538768.db2.gz RFXNRDWRRWUBTK-LLVKDONJSA-N 1 0 309.207 4.035 20 30 DIEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001620935504 1055548978 /nfs/dbraw/zinc/54/89/78/1055548978.db2.gz RWKIRHVMNLIBNL-KRWDZBQOSA-N 1 0 315.844 4.424 20 30 DIEDRO C=C(C)C[NH2+]Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC001620934567 1055549230 /nfs/dbraw/zinc/54/92/30/1055549230.db2.gz HMRPEOZRYOPNRT-UHFFFAOYSA-N 1 0 303.837 4.117 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(OC)c(COCC)c2)CCCC1 ZINC001620935346 1055549698 /nfs/dbraw/zinc/54/96/98/1055549698.db2.gz LZMPZRWECYIMDP-UHFFFAOYSA-N 1 0 317.473 4.458 20 30 DIEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001620935505 1055549745 /nfs/dbraw/zinc/54/97/45/1055549745.db2.gz RWKIRHVMNLIBNL-QGZVFWFLSA-N 1 0 315.844 4.424 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000186159782 1055553415 /nfs/dbraw/zinc/55/34/15/1055553415.db2.gz UUYUQUQDTXEBBE-UHFFFAOYSA-N 1 0 320.436 4.048 20 30 DIEDRO SC1CC[NH+](Cc2ccc(COc3ccccc3)cc2)CC1 ZINC001237921921 1055560983 /nfs/dbraw/zinc/56/09/83/1055560983.db2.gz XIMHDUVKIWTNHY-UHFFFAOYSA-N 1 0 313.466 4.160 20 30 DIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CCC)c2ccccn2)cc1 ZINC000765735391 1055570665 /nfs/dbraw/zinc/57/06/65/1055570665.db2.gz MDXLUPRQNKMDME-JXFKEZNVSA-N 1 0 308.425 4.286 20 30 DIEDRO C#CC1CC[NH+](Cc2csc(-c3cccc(Cl)c3)n2)CC1 ZINC001237979891 1055572386 /nfs/dbraw/zinc/57/23/86/1055572386.db2.gz KSEUODRSOVXACD-UHFFFAOYSA-N 1 0 316.857 4.309 20 30 DIEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001168553782 1055572844 /nfs/dbraw/zinc/57/28/44/1055572844.db2.gz XAMKXBWBACDGMP-CKYFFXLPSA-N 1 0 314.763 4.284 20 30 DIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(-c2ccccc2OC)no1 ZINC000658357650 1055574488 /nfs/dbraw/zinc/57/44/88/1055574488.db2.gz QPEKDRGXXLFHSW-KGLIPLIRSA-N 1 0 300.402 4.041 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001620957618 1055581945 /nfs/dbraw/zinc/58/19/45/1055581945.db2.gz LUUFAFKODROLKC-KCXAZCMYSA-N 1 0 313.363 4.073 20 30 DIEDRO CCCCN(CCC#N)Cc1cc(OC)ccc1C(F)(F)F ZINC001238051047 1055594061 /nfs/dbraw/zinc/59/40/61/1055594061.db2.gz CSLIHBRCIZLKEG-UHFFFAOYSA-N 1 0 314.351 4.230 20 30 DIEDRO CCCCCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001595503365 1055604957 /nfs/dbraw/zinc/60/49/57/1055604957.db2.gz SGWHTGWYSRKARJ-IBGZPJMESA-N 1 0 316.489 4.128 20 30 DIEDRO C#CC1CC[NH+](Cc2ccc(F)c(OCc3ccccc3)c2)CC1 ZINC001238347420 1055643898 /nfs/dbraw/zinc/64/38/98/1055643898.db2.gz KUWOFFTTZDESKB-UHFFFAOYSA-N 1 0 323.411 4.250 20 30 DIEDRO Cc1cnc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001238430084 1055658908 /nfs/dbraw/zinc/65/89/08/1055658908.db2.gz HOWRLAJCYWPWCV-UHFFFAOYSA-N 1 0 319.452 4.025 20 30 DIEDRO Cc1ccc(OC(C)C)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001238480378 1055668249 /nfs/dbraw/zinc/66/82/49/1055668249.db2.gz MIKSVEBLLSXQML-UHFFFAOYSA-N 1 0 308.425 4.286 20 30 DIEDRO C=CC[N@@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1 ZINC001238508005 1055676686 /nfs/dbraw/zinc/67/66/86/1055676686.db2.gz ADJMYYXAQUUDJH-UHFFFAOYSA-N 1 0 306.331 4.385 20 30 DIEDRO Cc1cc(C[NH+]2CC(CC#N)C2)cc(C)c1-c1ccc(F)cc1 ZINC001238547324 1055682189 /nfs/dbraw/zinc/68/21/89/1055682189.db2.gz VCOMOMQGBRQDEH-UHFFFAOYSA-N 1 0 308.400 4.455 20 30 DIEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)cnc1-c1ccccc1 ZINC001238615940 1055698887 /nfs/dbraw/zinc/69/88/87/1055698887.db2.gz SNULYYCRPKNIJM-UHFFFAOYSA-N 1 0 305.425 4.183 20 30 DIEDRO CCN(CCC#N)Cc1cccc(-c2ccc(F)cc2OC)c1 ZINC001238631227 1055702891 /nfs/dbraw/zinc/70/28/91/1055702891.db2.gz KVYNQQZXTCEDKZ-UHFFFAOYSA-N 1 0 312.388 4.237 20 30 DIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ncc2Cl)C1 ZINC001238625920 1055703402 /nfs/dbraw/zinc/70/34/02/1055703402.db2.gz MLIPNJPXHZUWLP-OAHLLOKOSA-N 1 0 310.828 4.247 20 30 DIEDRO SC1CC[NH+](Cc2cccc(-c3ccc(Cl)cn3)c2)CC1 ZINC001238640900 1055706674 /nfs/dbraw/zinc/70/66/74/1055706674.db2.gz NDSNVLANWXZTTB-UHFFFAOYSA-N 1 0 318.873 4.296 20 30 DIEDRO Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001238664294 1055711148 /nfs/dbraw/zinc/71/11/48/1055711148.db2.gz IXUUCIKIZHOGCQ-KRWDZBQOSA-N 1 0 300.446 4.216 20 30 DIEDRO Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001238664295 1055711743 /nfs/dbraw/zinc/71/17/43/1055711743.db2.gz IXUUCIKIZHOGCQ-QGZVFWFLSA-N 1 0 300.446 4.216 20 30 DIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC001238690654 1055723842 /nfs/dbraw/zinc/72/38/42/1055723842.db2.gz QNGWULPJZJEWDL-UHFFFAOYSA-N 1 0 311.816 4.138 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)ccc1C#N ZINC001238767105 1055744360 /nfs/dbraw/zinc/74/43/60/1055744360.db2.gz RZWGHYRAMKWGJN-LJQANCHMSA-N 1 0 320.436 4.119 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@@H](c3cccc(OC)c3)C2)ccc1C#N ZINC001238770253 1055745318 /nfs/dbraw/zinc/74/53/18/1055745318.db2.gz ZRSPACYXROBRTL-HXUWFJFHSA-N 1 0 320.436 4.119 20 30 DIEDRO CCc1cc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)ccc1C#N ZINC001238772935 1055746424 /nfs/dbraw/zinc/74/64/24/1055746424.db2.gz SFNMPRSLHHSKRZ-HRAATJIYSA-N 1 0 320.436 4.083 20 30 DIEDRO CCc1cc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)ccc1C#N ZINC001238777672 1055747568 /nfs/dbraw/zinc/74/75/68/1055747568.db2.gz FSTIUXAVPSWCIF-NRFANRHFSA-N 1 0 320.436 4.466 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)ccc1C#N ZINC001238778277 1055750016 /nfs/dbraw/zinc/75/00/16/1055750016.db2.gz LEKJAEGNDUHXGP-LJQANCHMSA-N 1 0 308.400 4.249 20 30 DIEDRO CCc1cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)ccc1C#N ZINC001238778176 1055750770 /nfs/dbraw/zinc/75/07/70/1055750770.db2.gz KQSXJWWNDZNAOR-GOSISDBHSA-N 1 0 308.400 4.249 20 30 DIEDRO CCC(CC)[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC001168578823 1055753869 /nfs/dbraw/zinc/75/38/69/1055753869.db2.gz FMIAWGWURRTWQY-SFTDATJTSA-N 1 0 322.452 4.359 20 30 DIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cccc(OC)c1Cl ZINC001168579118 1055756220 /nfs/dbraw/zinc/75/62/20/1055756220.db2.gz GZNQQBIZNXDLCD-UHFFFAOYSA-N 1 0 305.805 4.172 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001566282125 1055758534 /nfs/dbraw/zinc/75/85/34/1055758534.db2.gz JFXPDBYKNRKYSI-OALUTQOASA-N 1 0 322.537 4.460 20 30 DIEDRO CCCCCCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001566295975 1055759115 /nfs/dbraw/zinc/75/91/15/1055759115.db2.gz YYQZBNGZWGETTD-MSOLQXFVSA-N 1 0 308.510 4.260 20 30 DIEDRO N#Cc1cc(C(F)(F)F)ccc1-c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001238838276 1055759748 /nfs/dbraw/zinc/75/97/48/1055759748.db2.gz LWLCMYBXFXKVMU-HNNXBMFYSA-N 1 0 317.314 4.064 20 30 DIEDRO C[NH+](C)Cc1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1F ZINC001238845119 1055766207 /nfs/dbraw/zinc/76/62/07/1055766207.db2.gz KGYKPKKAEXBKMW-UHFFFAOYSA-N 1 0 322.305 4.445 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001566474469 1055774721 /nfs/dbraw/zinc/77/47/21/1055774721.db2.gz BRTYJHAEXOTFHO-DPYIKZRWSA-N 1 0 308.510 4.234 20 30 DIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](CC)CC(F)(F)F)c1 ZINC001620973731 1055800621 /nfs/dbraw/zinc/80/06/21/1055800621.db2.gz ODANFXFNQBONII-ZDUSSCGKSA-N 1 0 301.352 4.320 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(F)ncc2OC)cc1 ZINC001239041532 1055829983 /nfs/dbraw/zinc/82/99/83/1055829983.db2.gz UBEMRRROOLLVSB-QGZVFWFLSA-N 1 0 312.388 4.219 20 30 DIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC001239187675 1055842999 /nfs/dbraw/zinc/84/29/99/1055842999.db2.gz NDWZNVAGHNWWQU-UHFFFAOYSA-N 1 0 323.440 4.235 20 30 DIEDRO CCCCCCCNC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001239190226 1055844572 /nfs/dbraw/zinc/84/45/72/1055844572.db2.gz YNGQYKZRZNCFAK-UHFFFAOYSA-N 1 0 305.466 4.015 20 30 DIEDRO CCCCCCCCNC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001239191950 1055845750 /nfs/dbraw/zinc/84/57/50/1055845750.db2.gz YNJHWCVLCCXDPW-KRWDZBQOSA-N 1 0 317.477 4.246 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(/C=C/c2ccc(C#N)cc2)nc1 ZINC001239283652 1055858584 /nfs/dbraw/zinc/85/85/84/1055858584.db2.gz DRFZQZQLXWFWRB-QXLXQBSBSA-N 1 0 317.436 4.498 20 30 DIEDRO N#Cc1ccc(/C=C/c2cnccc2C[NH+]2CCCCC2)cc1 ZINC001239304433 1055862985 /nfs/dbraw/zinc/86/29/85/1055862985.db2.gz RMNWOTDITJQIBW-CMDGGOBGSA-N 1 0 303.409 4.110 20 30 DIEDRO CCCCCCCCCOC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001239312383 1055864109 /nfs/dbraw/zinc/86/41/09/1055864109.db2.gz SPAGKPPVMHOQHF-CQSZACIVSA-N 1 0 323.437 4.398 20 30 DIEDRO CCCCCCCCOC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001239313512 1055865810 /nfs/dbraw/zinc/86/58/10/1055865810.db2.gz CCEHVAAKUPEDKV-UHFFFAOYSA-N 1 0 320.433 4.078 20 30 DIEDRO CCCCCCCCCOC(=O)NCc1ccc(C[NH3+])cc1 ZINC001239314802 1055866069 /nfs/dbraw/zinc/86/60/69/1055866069.db2.gz FAUCMZIUBYHRCC-UHFFFAOYSA-N 1 0 306.450 4.122 20 30 DIEDRO CCCCCCCCCCOC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001239331492 1055873718 /nfs/dbraw/zinc/87/37/18/1055873718.db2.gz HDGOPACVPXIRGX-UHFFFAOYSA-N 1 0 310.482 4.092 20 30 DIEDRO CCCCCCCCOC(=O)N1CCC[C@@]12CCC[NH2+]CC2 ZINC001239328672 1055873813 /nfs/dbraw/zinc/87/38/13/1055873813.db2.gz KFBXEEFSOXATOM-GOSISDBHSA-N 1 0 310.482 4.092 20 30 DIEDRO CCCCCCCNC(=S)Nc1cccc(C[NH2+]CC)c1 ZINC001239346581 1055877589 /nfs/dbraw/zinc/87/75/89/1055877589.db2.gz KKGBZTKIRXJQSQ-UHFFFAOYSA-N 1 0 307.507 4.053 20 30 DIEDRO CCCCCCCCCNC(=S)Nc1cccc(CC[NH3+])c1 ZINC001239344397 1055877830 /nfs/dbraw/zinc/87/78/30/1055877830.db2.gz MTPMBPUWOWNFLI-UHFFFAOYSA-N 1 0 321.534 4.225 20 30 DIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000671723940 1055878396 /nfs/dbraw/zinc/87/83/96/1055878396.db2.gz SJGJUQJBMHEVMK-UHFFFAOYSA-N 1 0 304.393 4.089 20 30 DIEDRO C=C(C[NH2+]Cc1cc(OCC)c(OC)cc1F)c1ccccc1 ZINC001620773152 1055940723 /nfs/dbraw/zinc/94/07/23/1055940723.db2.gz OOFIJYGUNVYVSH-UHFFFAOYSA-N 1 0 315.388 4.036 20 30 DIEDRO C=CCc1cc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC001620781005 1055948116 /nfs/dbraw/zinc/94/81/16/1055948116.db2.gz LEJKRUQVGZJQEB-GJZGRUSLSA-N 1 0 317.473 4.347 20 30 DIEDRO Cc1cc(C)c(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)c(C)c1 ZINC001239551484 1055948974 /nfs/dbraw/zinc/94/89/74/1055948974.db2.gz YIPDIOHQMHFZHD-UHFFFAOYSA-N 1 0 320.436 4.281 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)cc1 ZINC001620987145 1055960381 /nfs/dbraw/zinc/96/03/81/1055960381.db2.gz KWHJNUFMAAVOBC-AWEZNQCLSA-N 1 0 307.384 4.002 20 30 DIEDRO C#CC[C@@H]1CC[N@@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC001620573671 1055968960 /nfs/dbraw/zinc/96/89/60/1055968960.db2.gz SFXJFLPAEGICIR-QQNRWZHASA-N 1 0 318.258 4.198 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCc1ccc(C#N)cc1 ZINC001621004216 1055970573 /nfs/dbraw/zinc/97/05/73/1055970573.db2.gz OCPOEKNKGXVVIC-UHFFFAOYSA-N 1 0 318.342 4.218 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1snc(OC)c1Cl ZINC001621004077 1055971560 /nfs/dbraw/zinc/97/15/60/1055971560.db2.gz HUGMRUDYPQJIPC-QWRGUYRKSA-N 1 0 300.855 4.030 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(OC)OC)ccc1F ZINC001621004208 1055971654 /nfs/dbraw/zinc/97/16/54/1055971654.db2.gz NXOAPZKFGCKAAT-KSSFIOAISA-N 1 0 321.436 4.342 20 30 DIEDRO C=CCc1cc(C[NH2+]C(CC)(C2CC2)C2CC2)cc(OC)c1O ZINC001621006137 1055972634 /nfs/dbraw/zinc/97/26/34/1055972634.db2.gz YQXVDZUZKIUOKP-UHFFFAOYSA-N 1 0 315.457 4.188 20 30 DIEDRO CCCCCCCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC001620699182 1055982068 /nfs/dbraw/zinc/98/20/68/1055982068.db2.gz DUYCSGCNOHFZLS-UHFFFAOYSA-N 1 0 308.432 4.353 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001620705814 1055983118 /nfs/dbraw/zinc/98/31/18/1055983118.db2.gz ZLZSLRSLXGFGDS-UKRRQHHQSA-N 1 0 313.363 4.462 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC001620729262 1055986064 /nfs/dbraw/zinc/98/60/64/1055986064.db2.gz CNFFJRMMBRTUNU-SMDDNHRTSA-N 1 0 312.226 4.423 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CC12CCCCC2 ZINC001621019369 1055986688 /nfs/dbraw/zinc/98/66/88/1055986688.db2.gz IUHNCBZHAIRPRN-QGZVFWFLSA-N 1 0 303.833 4.164 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC001621028977 1055991927 /nfs/dbraw/zinc/99/19/27/1055991927.db2.gz YYDBBIDBNCXGIQ-UHFFFAOYSA-N 1 0 318.852 4.003 20 30 DIEDRO C=CCCC(C)(C)C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001621028505 1055992851 /nfs/dbraw/zinc/99/28/51/1055992851.db2.gz FXRZPDUZSHMCDE-HKUYNNGSSA-N 1 0 300.490 4.089 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CC(CC)(CC)C(F)(F)F ZINC001621037572 1055999176 /nfs/dbraw/zinc/99/91/76/1055999176.db2.gz RQNJDIGXFWZKJV-UHFFFAOYSA-N 1 0 313.363 4.157 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(CC3CCC3)c1)C2 ZINC001621042190 1056002209 /nfs/dbraw/zinc/00/22/09/1056002209.db2.gz QKUQUSDHPDGJGL-QFIPXVFZSA-N 1 0 316.448 4.158 20 30 DIEDRO CCC[C@@H](C)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC001621049154 1056008722 /nfs/dbraw/zinc/00/87/22/1056008722.db2.gz PJHRGVXQMWSNJS-QGZVFWFLSA-N 1 0 324.472 4.380 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1ccc2c(c1)nnn2C)c1ccccc1 ZINC001621048344 1056009294 /nfs/dbraw/zinc/00/92/94/1056009294.db2.gz FIOGNOZLJGXBAZ-SFHVURJKSA-N 1 0 320.440 4.156 20 30 DIEDRO C=CCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001540579896 1056047025 /nfs/dbraw/zinc/04/70/25/1056047025.db2.gz HQIJFLJUMPAIKS-QGZVFWFLSA-N 1 0 322.880 4.195 20 30 DIEDRO CCCCCCCCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001540762863 1056071985 /nfs/dbraw/zinc/07/19/85/1056071985.db2.gz LVLYIRGOQGTXOS-SFHVURJKSA-N 1 0 314.489 4.066 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001610276689 1056072073 /nfs/dbraw/zinc/07/20/73/1056072073.db2.gz FCAKEWOQWBDUCG-QZTJIDSGSA-N 1 0 310.526 4.362 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000186319416 1056101593 /nfs/dbraw/zinc/10/15/93/1056101593.db2.gz RCVKNVUENDFDOJ-CYBMUJFWSA-N 1 0 316.351 4.319 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C)c1ccc(F)cc1F ZINC000186322364 1056101942 /nfs/dbraw/zinc/10/19/42/1056101942.db2.gz CRKURTDFGIWSQP-SFHVURJKSA-N 1 0 300.352 4.386 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001542244342 1056112097 /nfs/dbraw/zinc/11/20/97/1056112097.db2.gz HMWJECYAKDLMCT-SFHVURJKSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001542244341 1056112377 /nfs/dbraw/zinc/11/23/77/1056112377.db2.gz HMWJECYAKDLMCT-GOSISDBHSA-N 1 0 308.510 4.212 20 30 DIEDRO C=C1CC=C(F)C=C1N[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168615951 1056155085 /nfs/dbraw/zinc/15/50/85/1056155085.db2.gz QBKFSGSQSWOPCO-VQIMIIECSA-N 1 0 315.388 4.202 20 30 DIEDRO N#Cc1c(F)cc(-c2ccc(C[NH+]3CCCC3)c(F)c2)cc1F ZINC001239931437 1056167197 /nfs/dbraw/zinc/16/71/97/1056167197.db2.gz KEMJURDEGIOIAK-UHFFFAOYSA-N 1 0 316.326 4.238 20 30 DIEDRO Cc1cc(C[NH2+][C@H](c2ccc(F)cc2F)C2CC2)ccc1C#N ZINC001620820472 1056171395 /nfs/dbraw/zinc/17/13/95/1056171395.db2.gz UBMDKMUBIHZNHA-IBGZPJMESA-N 1 0 312.363 4.386 20 30 DIEDRO Cc1cc(F)c(C#N)c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001611707956 1056181201 /nfs/dbraw/zinc/18/12/01/1056181201.db2.gz DXXRVOWMEUWSFR-FQEVSTJZSA-N 1 0 323.415 4.255 20 30 DIEDRO CCC(CC)(CNc1cccc(C#N)n1)[NH2+][C@H](C)c1ccccc1 ZINC001611967983 1056216717 /nfs/dbraw/zinc/21/67/17/1056216717.db2.gz SLQLSZJYZGSPAR-MRXNPFEDSA-N 1 0 322.456 4.275 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC001543416719 1056216802 /nfs/dbraw/zinc/21/68/02/1056216802.db2.gz PROCYFHZHYKGRB-GOSISDBHSA-N 1 0 322.537 4.460 20 30 DIEDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000618551434 1056264937 /nfs/dbraw/zinc/26/49/37/1056264937.db2.gz ZVEXKUKYXCVVFJ-HXUWFJFHSA-N 1 0 314.473 4.269 20 30 DIEDRO N#Cc1c2c(cnc1-c1ccc(C[NH+]3CCCC3)cc1)CCCC2 ZINC001240051648 1056286128 /nfs/dbraw/zinc/28/61/28/1056286128.db2.gz UATAEUAFIXRNDA-UHFFFAOYSA-N 1 0 317.436 4.095 20 30 DIEDRO CC(C)[N@H+](C)Cc1ccccc1CNc1cccc(F)c1C#N ZINC000301152188 1056323249 /nfs/dbraw/zinc/32/32/49/1056323249.db2.gz PHFUYIYFXQIYJV-UHFFFAOYSA-N 1 0 311.404 4.150 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001584351620 1056323784 /nfs/dbraw/zinc/32/37/84/1056323784.db2.gz XJKAVWZFDVYKKV-DLBZAZTESA-N 1 0 310.526 4.362 20 30 DIEDRO C[C@@H]1C[C@@H](Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000301541254 1056334267 /nfs/dbraw/zinc/33/42/67/1056334267.db2.gz NMOCWUPANKACPO-BEFAXECRSA-N 1 0 323.415 4.162 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(C#N)c(F)c2)nc1 ZINC001240145306 1056352024 /nfs/dbraw/zinc/35/20/24/1056352024.db2.gz CEHUIUFTYQAQFW-AWEZNQCLSA-N 1 0 309.388 4.134 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2ccc(C#N)c(F)c2)ccc1OC ZINC001240162138 1056358842 /nfs/dbraw/zinc/35/88/42/1056358842.db2.gz DBYDRCIDIZIBAD-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO O/N=C/c1ccc(-c2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC001240174551 1056363229 /nfs/dbraw/zinc/36/32/29/1056363229.db2.gz OVFIPBHTNRNBNZ-FYJGNVAPSA-N 1 0 312.388 4.287 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC001620825222 1056392894 /nfs/dbraw/zinc/39/28/94/1056392894.db2.gz ISZKGFXWRZXAAH-AWEZNQCLSA-N 1 0 315.388 4.250 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC001584797472 1056418193 /nfs/dbraw/zinc/41/81/93/1056418193.db2.gz IQBYCKXTFRKYRZ-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO N#Cc1cc(-c2cc(C(F)(F)F)ccc2F)cc(C2C[NH2+]C2)c1 ZINC001240345864 1056438486 /nfs/dbraw/zinc/43/84/86/1056438486.db2.gz RLTHFXCSVXQGFB-UHFFFAOYSA-N 1 0 320.289 4.070 20 30 DIEDRO N#CC1(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC001614547918 1056440083 /nfs/dbraw/zinc/44/00/83/1056440083.db2.gz KXCYAUWHGSNQSE-GOSISDBHSA-N 1 0 314.498 4.468 20 30 DIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c1 ZINC000921741815 1056440721 /nfs/dbraw/zinc/44/07/21/1056440721.db2.gz ITKBAIAXRFMCSX-NUJGCVRESA-N 1 0 318.486 4.131 20 30 DIEDRO Cc1cc(C(F)(F)F)ccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240351600 1056442566 /nfs/dbraw/zinc/44/25/66/1056442566.db2.gz UXYXSYBIUXFEHV-UHFFFAOYSA-N 1 0 316.326 4.239 20 30 DIEDRO CCc1cc2cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ccc2o1 ZINC001240361292 1056445205 /nfs/dbraw/zinc/44/52/05/1056445205.db2.gz UXKVLTZCAMJSEZ-UHFFFAOYSA-N 1 0 302.377 4.221 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccccc1 ZINC000475283316 1056447443 /nfs/dbraw/zinc/44/74/43/1056447443.db2.gz XWBUZJCLNJZVKC-UHFFFAOYSA-N 1 0 323.362 4.024 20 30 DIEDRO CC(C)([NH2+]CC#Cc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC001168656896 1056447521 /nfs/dbraw/zinc/44/75/21/1056447521.db2.gz IMYNEYWMGLHOKL-UHFFFAOYSA-N 1 0 319.782 4.495 20 30 DIEDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000060477521 1056464398 /nfs/dbraw/zinc/46/43/98/1056464398.db2.gz CDJVHTOZEBOQHH-AWEZNQCLSA-N 1 0 309.369 4.050 20 30 DIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000072742245 1056467795 /nfs/dbraw/zinc/46/77/95/1056467795.db2.gz XTQXJUYINOBPAM-MRXNPFEDSA-N 1 0 313.404 4.471 20 30 DIEDRO N#CCOc1cc(F)ccc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240388034 1056471560 /nfs/dbraw/zinc/47/15/60/1056471560.db2.gz ZFHUMMZHIDUCOX-UHFFFAOYSA-N 1 0 322.383 4.017 20 30 DIEDRO N#CCc1cc(C2=CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC001240388337 1056471616 /nfs/dbraw/zinc/47/16/16/1056471616.db2.gz JWZRWTXGCWHXGW-UHFFFAOYSA-N 1 0 306.384 4.181 20 30 DIEDRO N#Cc1cc(-c2ccc(OC3CC[NH2+]CC3)cc2)ccc1Cl ZINC001240402255 1056484551 /nfs/dbraw/zinc/48/45/51/1056484551.db2.gz PAVQFVMWVZWJQI-UHFFFAOYSA-N 1 0 312.800 4.009 20 30 DIEDRO C[N@@H+]1CCc2c(F)cc(-c3ccc(Cl)c(C#N)c3)cc2C1 ZINC001240405145 1056485474 /nfs/dbraw/zinc/48/54/74/1056485474.db2.gz WMWSGGFDTHLMOQ-UHFFFAOYSA-N 1 0 300.764 4.006 20 30 DIEDRO N#Cc1cc(-c2cnccc2C[NH+]2CCCCC2)ccc1Cl ZINC001240404048 1056486361 /nfs/dbraw/zinc/48/63/61/1056486361.db2.gz CYMUJOBTJYFQEF-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO C#CCCCCCC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001615350182 1056497757 /nfs/dbraw/zinc/49/77/57/1056497757.db2.gz BTDVSUDKFZCCLD-HXUWFJFHSA-N 1 0 317.448 4.390 20 30 DIEDRO C#CC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C1CCCCC1 ZINC001615367221 1056499446 /nfs/dbraw/zinc/49/94/46/1056499446.db2.gz UJXZGFUHCPUKFJ-UHFFFAOYSA-N 1 0 300.446 4.027 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Br)ccc1F)C1CCCCC1 ZINC001615365806 1056499473 /nfs/dbraw/zinc/49/94/73/1056499473.db2.gz AYOKBNCCBPROSQ-UHFFFAOYSA-N 1 0 324.237 4.356 20 30 DIEDRO C=CC[N@H+](CCCc1scnc1C)CCc1ccccc1 ZINC001615366392 1056499563 /nfs/dbraw/zinc/49/95/63/1056499563.db2.gz HDOZXZFKZJEJBI-UHFFFAOYSA-N 1 0 300.471 4.115 20 30 DIEDRO C#CCC[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccccc1OC ZINC001615384169 1056500474 /nfs/dbraw/zinc/50/04/74/1056500474.db2.gz USCQEYOCDUGIFO-SFHVURJKSA-N 1 0 307.437 4.152 20 30 DIEDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001615387479 1056501738 /nfs/dbraw/zinc/50/17/38/1056501738.db2.gz IIAVIPMAGYNFQC-QGZVFWFLSA-N 1 0 322.452 4.247 20 30 DIEDRO CCC[C@@H](C)CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001615417358 1056507994 /nfs/dbraw/zinc/50/79/94/1056507994.db2.gz DPTLZGKBTJGOLY-GOSISDBHSA-N 1 0 313.489 4.287 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC001544857030 1056514262 /nfs/dbraw/zinc/51/42/62/1056514262.db2.gz HIDJFBQUSLWIDH-KURKYZTESA-N 1 0 310.526 4.314 20 30 DIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)cc1[N+](=O)[O-] ZINC000921818548 1056514929 /nfs/dbraw/zinc/51/49/29/1056514929.db2.gz PUZHAPATVUIPCO-OAHLLOKOSA-N 1 0 323.396 4.243 20 30 DIEDRO CCS[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001615477740 1056515654 /nfs/dbraw/zinc/51/56/54/1056515654.db2.gz QTKIHTOTQWRTQV-INIZCTEOSA-N 1 0 308.878 4.319 20 30 DIEDRO N#Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000921824534 1056520161 /nfs/dbraw/zinc/52/01/61/1056520161.db2.gz OCQIBKPFUPIKPQ-ZYHUDNBSSA-N 1 0 302.365 4.078 20 30 DIEDRO N#Cc1cc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000921824533 1056521182 /nfs/dbraw/zinc/52/11/82/1056521182.db2.gz OCQIBKPFUPIKPQ-PWSUYJOCSA-N 1 0 302.365 4.078 20 30 DIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1ccc(CC#N)cc1 ZINC001615481827 1056521646 /nfs/dbraw/zinc/52/16/46/1056521646.db2.gz YMBGUIAPCFEFKC-UHFFFAOYSA-N 1 0 310.416 4.346 20 30 DIEDRO C=CC[N@H+](CC1CCCCC1)[C@H]1CCc2ccccc2NC1=O ZINC001615506368 1056522290 /nfs/dbraw/zinc/52/22/90/1056522290.db2.gz ZISISYLCCVGZBT-IBGZPJMESA-N 1 0 312.457 4.008 20 30 DIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@](C)(O)CCC)cc1 ZINC000765940444 1056528272 /nfs/dbraw/zinc/52/82/72/1056528272.db2.gz DYIMUXPMQBPVTL-WMLDXEAASA-N 1 0 311.853 4.020 20 30 DIEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@H]1C[C@H](OCC)C1(C)C ZINC001615578453 1056540650 /nfs/dbraw/zinc/54/06/50/1056540650.db2.gz SXPTZUSNWOFGHI-HOTGVXAUSA-N 1 0 306.475 4.035 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC001615600403 1056543858 /nfs/dbraw/zinc/54/38/58/1056543858.db2.gz IZSGNCUPTZNHCR-UHFFFAOYSA-N 1 0 319.399 4.329 20 30 DIEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001615660309 1056556408 /nfs/dbraw/zinc/55/64/08/1056556408.db2.gz IUGLGGIDYQSMFH-UKRRQHHQSA-N 1 0 311.347 4.057 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000921861706 1056570237 /nfs/dbraw/zinc/57/02/37/1056570237.db2.gz YJHPCEXOAYLFQK-SFHVURJKSA-N 1 0 312.457 4.147 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000921861702 1056571030 /nfs/dbraw/zinc/57/10/30/1056571030.db2.gz YJHPCEXOAYLFQK-GOSISDBHSA-N 1 0 312.457 4.147 20 30 DIEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001615826526 1056581725 /nfs/dbraw/zinc/58/17/25/1056581725.db2.gz RSIOYKQKGCRGTK-WBVHZDCISA-N 1 0 308.400 4.150 20 30 DIEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001615826523 1056582772 /nfs/dbraw/zinc/58/27/72/1056582772.db2.gz RSIOYKQKGCRGTK-DOTOQJQBSA-N 1 0 308.400 4.150 20 30 DIEDRO C=C(C)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001615934881 1056600264 /nfs/dbraw/zinc/60/02/64/1056600264.db2.gz FAZOSGZVHRZEBS-IRXDYDNUSA-N 1 0 322.493 4.207 20 30 DIEDRO CC(C)C[C@H]1CCCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001616066688 1056610596 /nfs/dbraw/zinc/61/05/96/1056610596.db2.gz IILUDDFGWAEYKE-GOSISDBHSA-N 1 0 300.446 4.228 20 30 DIEDRO N#Cc1cccc(OCCC[NH2+][C@H](c2ccccc2)C2CCC2)c1 ZINC001616302740 1056629654 /nfs/dbraw/zinc/62/96/54/1056629654.db2.gz YMOARJRZOJNKND-OAQYLSRUSA-N 1 0 320.436 4.458 20 30 DIEDRO C[C@@H](Nc1cccc(F)c1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310171988 1056633974 /nfs/dbraw/zinc/63/39/74/1056633974.db2.gz UGNLMEUEHBUYMZ-WBVHZDCISA-N 1 0 323.415 4.020 20 30 DIEDRO C[C@@H](Nc1ccc(F)cc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310141683 1056634366 /nfs/dbraw/zinc/63/43/66/1056634366.db2.gz NDJLTBBFULWIJW-WBVHZDCISA-N 1 0 323.415 4.020 20 30 DIEDRO N#Cc1ccnc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)c1 ZINC001616323326 1056636024 /nfs/dbraw/zinc/63/60/24/1056636024.db2.gz UIOLUIHFVCABJN-KUFMOJEASA-N 1 0 317.436 4.411 20 30 DIEDRO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CC1CCC(C#N)CC1 ZINC001616333144 1056636987 /nfs/dbraw/zinc/63/69/87/1056636987.db2.gz XHUBZZKKPDBLNT-IYXRBSQSSA-N 1 0 304.384 4.214 20 30 DIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(C3CC3)nc2)cc1 ZINC001240686693 1056640020 /nfs/dbraw/zinc/64/00/20/1056640020.db2.gz QRDHEPSTZKMNER-IBGZPJMESA-N 1 0 305.425 4.344 20 30 DIEDRO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cccc(C#N)c2)cc1 ZINC000112635821 1056645015 /nfs/dbraw/zinc/64/50/15/1056645015.db2.gz FFPKIWNQJVLEHS-LJQANCHMSA-N 1 0 308.450 4.157 20 30 DIEDRO C=CCC[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC001616395693 1056648543 /nfs/dbraw/zinc/64/85/43/1056648543.db2.gz LQKVTEPWEKMMTE-UHFFFAOYSA-N 1 0 308.263 4.379 20 30 DIEDRO Cc1ccc(C[NH+]2CCC(C)(c3ccccc3)CC2)cc1C#N ZINC001616396288 1056648582 /nfs/dbraw/zinc/64/85/82/1056648582.db2.gz TYYCVYXFUBRFJU-UHFFFAOYSA-N 1 0 304.437 4.420 20 30 DIEDRO CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000338776465 1056660322 /nfs/dbraw/zinc/66/03/22/1056660322.db2.gz KXRFEQQPNOMTQY-HIRMHNASSA-N 1 0 300.446 4.193 20 30 DIEDRO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898684 1056734823 /nfs/dbraw/zinc/73/48/23/1056734823.db2.gz GOJWLPYZNTXMLE-DYESRHJHSA-N 1 0 324.468 4.243 20 30 DIEDRO CCCCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OCC)C1 ZINC001617316752 1056812543 /nfs/dbraw/zinc/81/25/43/1056812543.db2.gz DPWWAFSPVMZSNS-IAGOWNOFSA-N 1 0 312.498 4.194 20 30 DIEDRO CCOc1cc(F)cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001241028513 1056829613 /nfs/dbraw/zinc/82/96/13/1056829613.db2.gz TYXIUIIAPSVQJU-UHFFFAOYSA-N 1 0 324.399 4.036 20 30 DIEDRO N#CCCC[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1 ZINC000922144584 1056844759 /nfs/dbraw/zinc/84/47/59/1056844759.db2.gz GSGLEPZXVTZXBM-IBGZPJMESA-N 1 0 308.429 4.133 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CCC(=O)OCc2ccccc2)CCCC1(C)C ZINC001617604131 1056855827 /nfs/dbraw/zinc/85/58/27/1056855827.db2.gz ONEUGNLTZNUJSB-SFHVURJKSA-N 1 0 315.457 4.187 20 30 DIEDRO C=CC[C@H]1[N@H+](CCCN(C)C(=O)OC(C)(C)C)CCCC1(C)C ZINC001617603620 1056855839 /nfs/dbraw/zinc/85/58/39/1056855839.db2.gz AJRJGPNETRUCME-MRXNPFEDSA-N 1 0 324.509 4.310 20 30 DIEDRO C=CC[C@@H]1[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCC1(C)C ZINC001617603821 1056856032 /nfs/dbraw/zinc/85/60/32/1056856032.db2.gz HFJBJAAXZATFTI-KRWDZBQOSA-N 1 0 318.417 4.040 20 30 DIEDRO C=CC[C@H]1[N@@H+](Cc2ncccc2Br)CCCC1(C)C ZINC001617603725 1056856072 /nfs/dbraw/zinc/85/60/72/1056856072.db2.gz DJPKPYUFDXWDMT-OAHLLOKOSA-N 1 0 323.278 4.411 20 30 DIEDRO C=CC[C@H]1[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCC1(C)C ZINC001617603822 1056857003 /nfs/dbraw/zinc/85/70/03/1056857003.db2.gz HFJBJAAXZATFTI-QGZVFWFLSA-N 1 0 318.417 4.040 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC001617610676 1056857920 /nfs/dbraw/zinc/85/79/20/1056857920.db2.gz LCXQUZIXNRGHKC-LPHOPBHVSA-N 1 0 320.436 4.253 20 30 DIEDRO C=CCCCCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC001617668368 1056866390 /nfs/dbraw/zinc/86/63/90/1056866390.db2.gz VDPDXVGRIRSBSJ-LJQANCHMSA-N 1 0 315.457 4.331 20 30 DIEDRO CC[C@@H]([NH2+][C@H]1Cc2cccc(Cl)c2C1)c1cccc(C#N)c1 ZINC001168703627 1056882766 /nfs/dbraw/zinc/88/27/66/1056882766.db2.gz HXLRYXOKKQZZTR-QFBILLFUSA-N 1 0 310.828 4.420 20 30 DIEDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C12CCCC2 ZINC001617799173 1056884606 /nfs/dbraw/zinc/88/46/06/1056884606.db2.gz ITLKCATYOZJXQS-IRXDYDNUSA-N 1 0 318.848 4.039 20 30 DIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCC(C)(C)O1 ZINC001617869224 1056894664 /nfs/dbraw/zinc/89/46/64/1056894664.db2.gz ZLOCZAJZRSNIOS-GOSISDBHSA-N 1 0 319.493 4.190 20 30 DIEDRO CCCCOc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1OC ZINC000066971998 1056908144 /nfs/dbraw/zinc/90/81/44/1056908144.db2.gz ALOSOZPLQLNECW-UHFFFAOYSA-N 1 0 324.424 4.036 20 30 DIEDRO C#CCCCCCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001618028885 1056914958 /nfs/dbraw/zinc/91/49/58/1056914958.db2.gz WMSYIVDDSXWPAL-SFHVURJKSA-N 1 0 314.429 4.358 20 30 DIEDRO C=C(CC)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001618083945 1056921370 /nfs/dbraw/zinc/92/13/70/1056921370.db2.gz IIRUQHZUFGJJMG-OAHLLOKOSA-N 1 0 308.263 4.280 20 30 DIEDRO C=CCCCCC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC001618083777 1056922087 /nfs/dbraw/zinc/92/20/87/1056922087.db2.gz DVOIJCYKRQJXDT-INIZCTEOSA-N 1 0 315.379 4.465 20 30 DIEDRO CC[N@H+](Cc1ncc(C)c(OC)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000067227297 1056928683 /nfs/dbraw/zinc/92/86/83/1056928683.db2.gz QBCYFAURDOGFIZ-INIZCTEOSA-N 1 0 323.440 4.162 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(CO)ccc2F)cc1 ZINC001241154918 1056930165 /nfs/dbraw/zinc/93/01/65/1056930165.db2.gz OFCIGCIVOLKMSL-FQEVSTJZSA-N 1 0 311.400 4.308 20 30 DIEDRO CCCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC001618189843 1056931167 /nfs/dbraw/zinc/93/11/67/1056931167.db2.gz CJVSQALXGHGOSF-UHFFFAOYSA-N 1 0 315.417 4.401 20 30 DIEDRO C=C(Cl)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC001618293909 1056946723 /nfs/dbraw/zinc/94/67/23/1056946723.db2.gz NDOQJRFEHUVWEQ-UHFFFAOYSA-N 1 0 316.670 4.421 20 30 DIEDRO C=CCCOCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000358378208 1056983067 /nfs/dbraw/zinc/98/30/67/1056983067.db2.gz UVAHOZLRHPNHIU-INIZCTEOSA-N 1 0 324.262 4.009 20 30 DIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000116927370 1056988209 /nfs/dbraw/zinc/98/82/09/1056988209.db2.gz RIWIAUYWFAVFEH-LBPRGKRZSA-N 1 0 317.351 4.081 20 30 DIEDRO Cc1ccccc1[C@@H]([NH2+]CCOc1ccccc1C#N)C(C)C ZINC001168723504 1057009515 /nfs/dbraw/zinc/00/95/15/1057009515.db2.gz MOZBVOZIMLADKE-FQEVSTJZSA-N 1 0 308.425 4.232 20 30 DIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000069678857 1057009975 /nfs/dbraw/zinc/00/99/75/1057009975.db2.gz AYXSSZXCULZLCD-INIZCTEOSA-N 1 0 316.351 4.401 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000922420817 1057022753 /nfs/dbraw/zinc/02/27/53/1057022753.db2.gz MAXYWAHNPDUESG-ZNXRZULTSA-N 1 0 314.498 4.252 20 30 DIEDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)s1 ZINC000093049387 1057033368 /nfs/dbraw/zinc/03/33/68/1057033368.db2.gz JWELQWKJRZEGRW-UHFFFAOYSA-N 1 0 313.470 4.038 20 30 DIEDRO N#Cc1cnc2cc[nH]c(-c3ccc(C[NH+]4CCCCC4)cc3)c1-2 ZINC001241387171 1057033753 /nfs/dbraw/zinc/03/37/53/1057033753.db2.gz ANAIZDAYSPHJRO-UHFFFAOYSA-N 1 0 316.408 4.087 20 30 DIEDRO N#CCc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC001241388756 1057034601 /nfs/dbraw/zinc/03/46/01/1057034601.db2.gz PCSMZBQNKXGCLX-UHFFFAOYSA-N 1 0 315.420 4.277 20 30 DIEDRO COc1cc(C#N)ccc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001241404354 1057041909 /nfs/dbraw/zinc/04/19/09/1057041909.db2.gz KWOSNDHYFTZYPW-UHFFFAOYSA-N 1 0 306.409 4.220 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(C#N)cc1OC ZINC001241408597 1057044157 /nfs/dbraw/zinc/04/41/57/1057044157.db2.gz DXRDCBLEWGIFJR-UHFFFAOYSA-N 1 0 324.424 4.084 20 30 DIEDRO Cc1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)cc1C#N ZINC000922759887 1057055599 /nfs/dbraw/zinc/05/55/99/1057055599.db2.gz XKVXJHBKYFSAFG-UHFFFAOYSA-N 1 0 322.380 4.205 20 30 DIEDRO CCCCc1oc2ccccc2c1C[N@H+](C)CCOCCC#N ZINC000338882026 1057065424 /nfs/dbraw/zinc/06/54/24/1057065424.db2.gz GAHJDTZHYXRNAM-UHFFFAOYSA-N 1 0 314.429 4.137 20 30 DIEDRO CO/N=C/c1cc(C2=CC[N@H+](Cc3ccccc3)CC2)ccc1F ZINC001241506775 1057076799 /nfs/dbraw/zinc/07/67/99/1057076799.db2.gz FIHXJWHMTIPEAU-HYARGMPZSA-N 1 0 324.399 4.095 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cnc2c(c1)c(C)nn2C)c1ccccc1 ZINC000158821822 1057077951 /nfs/dbraw/zinc/07/79/51/1057077951.db2.gz GWEJUKQAXJHZRG-LJQANCHMSA-N 1 0 320.440 4.074 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ncc3c(c2C#N)CCCC3)cc1 ZINC001241579084 1057095362 /nfs/dbraw/zinc/09/53/62/1057095362.db2.gz SJJBWHFNBRNRGV-UHFFFAOYSA-N 1 0 319.452 4.341 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(CC#N)c(C#N)c2)cc1 ZINC001241580917 1057096501 /nfs/dbraw/zinc/09/65/01/1057096501.db2.gz NJRZPHCCFIACAP-UHFFFAOYSA-N 1 0 303.409 4.133 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2ccc(OC)c(CC#N)c2)cc1 ZINC001241581206 1057097204 /nfs/dbraw/zinc/09/72/04/1057097204.db2.gz SILMZBCCBCRHAX-UHFFFAOYSA-N 1 0 308.425 4.270 20 30 DIEDRO CC[NH+](CC)Cc1ccc(-c2cc(F)c(C#N)c(OC)c2)cc1 ZINC001241586247 1057100148 /nfs/dbraw/zinc/10/01/48/1057100148.db2.gz RVQDLMQQPPELKJ-UHFFFAOYSA-N 1 0 312.388 4.215 20 30 DIEDRO CCCOc1cccc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001241593222 1057102459 /nfs/dbraw/zinc/10/24/59/1057102459.db2.gz INHFYXUHINCUBS-UHFFFAOYSA-N 1 0 320.436 4.287 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 ZINC000766017728 1057105349 /nfs/dbraw/zinc/10/53/49/1057105349.db2.gz CRVCORZUQOWKKR-QAPCUYQASA-N 1 0 324.424 4.211 20 30 DIEDRO Cc1oc2ccccc2c1[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000925362022 1057105459 /nfs/dbraw/zinc/10/54/59/1057105459.db2.gz AKGDNJLTXMONES-AWEZNQCLSA-N 1 0 320.392 4.494 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H](CC)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766018433 1057109065 /nfs/dbraw/zinc/10/90/65/1057109065.db2.gz HYAOBENPQPFSLR-QZTJIDSGSA-N 1 0 324.424 4.211 20 30 DIEDRO C=CC[C@@H]([NH2+][C@H]1CCCc2cc(OC)ccc21)c1ccncc1 ZINC000766018124 1057109753 /nfs/dbraw/zinc/10/97/53/1057109753.db2.gz GCJYYSJMSQTZCK-UXHICEINSA-N 1 0 308.425 4.375 20 30 DIEDRO N#Cc1cccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000162008454 1057111203 /nfs/dbraw/zinc/11/12/03/1057111203.db2.gz RVCIUNAEZUIPSJ-UHFFFAOYSA-N 1 0 308.278 4.006 20 30 DIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1F)c1ccncc1 ZINC000766020478 1057118727 /nfs/dbraw/zinc/11/87/27/1057118727.db2.gz MWMFOWQVVCLBRY-ACJLOTCBSA-N 1 0 300.377 4.197 20 30 DIEDRO COc1ccc(-c2cc(F)cc(C#N)c2)c(C[NH+]2CCCCC2)c1 ZINC001241659948 1057125270 /nfs/dbraw/zinc/12/52/70/1057125270.db2.gz CSUZWLHDFIHLQE-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(OC)ncc2F)cc1 ZINC001241665791 1057128000 /nfs/dbraw/zinc/12/80/00/1057128000.db2.gz MQMFEVCQCFAUNN-GOSISDBHSA-N 1 0 312.388 4.219 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc(OC)cc2C)cc1 ZINC001241776499 1057162271 /nfs/dbraw/zinc/16/22/71/1057162271.db2.gz SFPIFWHPXADSEF-IBGZPJMESA-N 1 0 308.425 4.389 20 30 DIEDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1ccc(C#N)s1 ZINC001307589448 1057177374 /nfs/dbraw/zinc/17/73/74/1057177374.db2.gz VKWBVVTXHOQHMB-RYUDHWBXSA-N 1 0 300.402 4.267 20 30 DIEDRO C=CC[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000625701121 1057192975 /nfs/dbraw/zinc/19/29/75/1057192975.db2.gz OQIWFNMKAWXJPB-LBPRGKRZSA-N 1 0 304.340 4.018 20 30 DIEDRO C#Cc1cccc(-c2ncc(C3=CC[N@H+](CC)CC3)cc2C)c1 ZINC001241917743 1057210979 /nfs/dbraw/zinc/21/09/79/1057210979.db2.gz XJUACBFUVFPEIM-UHFFFAOYSA-N 1 0 302.421 4.147 20 30 DIEDRO C#Cc1cccc(-c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)c1 ZINC001241922046 1057211935 /nfs/dbraw/zinc/21/19/35/1057211935.db2.gz NFSZGHKIFUOTKN-IBGZPJMESA-N 1 0 313.404 4.150 20 30 DIEDRO CC[C@@H](C#N)c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001241996114 1057233487 /nfs/dbraw/zinc/23/34/87/1057233487.db2.gz WFGWOQZUVQBGTD-KRWDZBQOSA-N 1 0 320.436 4.203 20 30 DIEDRO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c2ccccc2n1 ZINC000172073601 1057246528 /nfs/dbraw/zinc/24/65/28/1057246528.db2.gz NCGNLZKXCDFRRR-UHFFFAOYSA-N 1 0 301.393 4.047 20 30 DIEDRO N#Cc1ccc2nccc(-c3cccc(C[NH+]4CCCC4)c3)c2c1 ZINC001242118523 1057268013 /nfs/dbraw/zinc/26/80/13/1057268013.db2.gz QVZVFBBLKOSHCX-UHFFFAOYSA-N 1 0 313.404 4.369 20 30 DIEDRO N#Cc1ccc(-c2cccc(C[NH+]3CCCC3)c2)c2cc[nH]c21 ZINC001242123302 1057270374 /nfs/dbraw/zinc/27/03/74/1057270374.db2.gz WFPXSKOBBVBYHP-UHFFFAOYSA-N 1 0 301.393 4.302 20 30 DIEDRO C=C[C@H](C)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000674911987 1057300411 /nfs/dbraw/zinc/30/04/11/1057300411.db2.gz ALWOYEYQVAAUMB-JTQLQIEISA-N 1 0 323.259 4.237 20 30 DIEDRO C[C@H](CC[NH2+]Cc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000173571633 1057314131 /nfs/dbraw/zinc/31/41/31/1057314131.db2.gz SPHUFUVXLWVEIZ-GFCCVEGCSA-N 1 0 322.330 4.453 20 30 DIEDRO Cc1c(F)cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cc1F ZINC001242288700 1057322100 /nfs/dbraw/zinc/32/21/00/1057322100.db2.gz POKJEIHYIHXPME-UHFFFAOYSA-N 1 0 312.363 4.085 20 30 DIEDRO C#Cc1ccc(-c2cc(C[NH+]3CCCCC3)ccc2OC)cc1 ZINC001242296068 1057324832 /nfs/dbraw/zinc/32/48/32/1057324832.db2.gz OVVQFHMSGUGTCC-UHFFFAOYSA-N 1 0 305.421 4.329 20 30 DIEDRO COc1cccc(-c2ccc(C3CC[NH+](C)CC3)cc2)c1C#N ZINC001242300296 1057325909 /nfs/dbraw/zinc/32/59/09/1057325909.db2.gz NIGHUFOHLPUOAP-UHFFFAOYSA-N 1 0 306.409 4.043 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000174104380 1057350560 /nfs/dbraw/zinc/35/05/60/1057350560.db2.gz AAMMATFIQJIVKB-BEFAXECRSA-N 1 0 323.415 4.017 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000174270237 1057355260 /nfs/dbraw/zinc/35/52/60/1057355260.db2.gz XRKYERCYQLXUMJ-UHFFFAOYSA-N 1 0 302.315 4.264 20 30 DIEDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]CC(C)(C)CCC#N)ccn1 ZINC000174375282 1057359634 /nfs/dbraw/zinc/35/96/34/1057359634.db2.gz WQTOBDYZXNPKOR-MRXNPFEDSA-N 1 0 317.477 4.315 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccncc1 ZINC000174436279 1057361948 /nfs/dbraw/zinc/36/19/48/1057361948.db2.gz RNZDWMNCXOINEP-LJQANCHMSA-N 1 0 309.413 4.005 20 30 DIEDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)cc1 ZINC000246425966 1057370896 /nfs/dbraw/zinc/37/08/96/1057370896.db2.gz SGHOWRDPHDWRJH-HNAYVOBHSA-N 1 0 306.409 4.117 20 30 DIEDRO Cc1cc(Cl)cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)c1 ZINC001242520170 1057392695 /nfs/dbraw/zinc/39/26/95/1057392695.db2.gz MZIKLFCJWZZXOP-UHFFFAOYSA-N 1 0 310.828 4.460 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cncc(N(C)C)c2)cc1 ZINC001242529560 1057394288 /nfs/dbraw/zinc/39/42/88/1057394288.db2.gz VWIMSMHXTQOGRL-FQEVSTJZSA-N 1 0 307.441 4.138 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)c(F)c2)cc1 ZINC001242533160 1057395501 /nfs/dbraw/zinc/39/55/01/1057395501.db2.gz AYEROKQCBKEXGW-FQEVSTJZSA-N 1 0 311.400 4.308 20 30 DIEDRO N#Cc1cc(Cl)cc(-c2cnccc2C[NH+]2CCCCC2)c1 ZINC001242571853 1057409788 /nfs/dbraw/zinc/40/97/88/1057409788.db2.gz XACWQUDPSMRBJA-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO C=C(C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000675783078 1057414165 /nfs/dbraw/zinc/41/41/65/1057414165.db2.gz AKACCLVXAVWMFH-QGZVFWFLSA-N 1 0 308.425 4.015 20 30 DIEDRO C=C(C[NH2+][C@H](C)c1ccc(OCCOC)cc1)c1ccccc1 ZINC000675783219 1057414191 /nfs/dbraw/zinc/41/41/91/1057414191.db2.gz DNIRHLFRUNHLBQ-QGZVFWFLSA-N 1 0 311.425 4.076 20 30 DIEDRO N#Cc1cc(F)ccc1-c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001242585232 1057414712 /nfs/dbraw/zinc/41/47/12/1057414712.db2.gz KUHUFXUXNCPNTD-WOJBJXKFSA-N 1 0 324.399 4.151 20 30 DIEDRO Cc1ccc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)c(C#N)c1 ZINC001242593343 1057417941 /nfs/dbraw/zinc/41/79/41/1057417941.db2.gz NXOTXBRCZHDMFW-NHCUHLMSSA-N 1 0 320.436 4.320 20 30 DIEDRO N#Cc1nc(C2=CC[C@H]([NH+]3CCCC3)CC2)ccc1C(F)(F)F ZINC001242689294 1057447606 /nfs/dbraw/zinc/44/76/06/1057447606.db2.gz YSJUZSINZALMSD-ZDUSSCGKSA-N 1 0 321.346 4.004 20 30 DIEDRO N#Cc1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)ncc1C(F)(F)F ZINC001242688863 1057447626 /nfs/dbraw/zinc/44/76/26/1057447626.db2.gz MQBQEFUKXCBBKJ-CQSZACIVSA-N 1 0 321.346 4.004 20 30 DIEDRO CC(C)(C)c1ccc(C#N)c(C2=CC[C@H]([NH+]3CCCC3)CC2)n1 ZINC001242690548 1057447969 /nfs/dbraw/zinc/44/79/69/1057447969.db2.gz FQLJDQRKHMPGKX-KRWDZBQOSA-N 1 0 309.457 4.282 20 30 DIEDRO CC[N@H+]1CC=C(c2cnc(-c3ccccc3C#N)c(C)c2)CC1 ZINC001242715447 1057456812 /nfs/dbraw/zinc/45/68/12/1057456812.db2.gz WHHASLDUPHEPCF-UHFFFAOYSA-N 1 0 303.409 4.038 20 30 DIEDRO Cc1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cn2)ccc1C#N ZINC001242766991 1057468478 /nfs/dbraw/zinc/46/84/78/1057468478.db2.gz ZHMMKHUIGFJIGB-INIZCTEOSA-N 1 0 305.425 4.303 20 30 DIEDRO Cc1cc(-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C#N ZINC001242768470 1057468527 /nfs/dbraw/zinc/46/85/27/1057468527.db2.gz YENOBJLDODURGA-UHFFFAOYSA-N 1 0 306.409 4.008 20 30 DIEDRO Clc1ccccc1C#CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625786891 1057518485 /nfs/dbraw/zinc/51/84/85/1057518485.db2.gz QBVKJGMLDMALKD-IBGZPJMESA-N 1 0 310.828 4.218 20 30 DIEDRO C[C@@]1([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCOc2ccccc21 ZINC000923026768 1057522005 /nfs/dbraw/zinc/52/20/05/1057522005.db2.gz WZYRMDTVGHOIGQ-HXUWFJFHSA-N 1 0 318.420 4.029 20 30 DIEDRO CC#Cc1cncc(-c2ccc([C@@H]3CCCC[N@H+]3CCC)cn2)c1 ZINC001242940482 1057524539 /nfs/dbraw/zinc/52/45/39/1057524539.db2.gz JIWUQGBCVGEUJR-NRFANRHFSA-N 1 0 319.452 4.452 20 30 DIEDRO C=CCC1([NH2+]CC(=O)Nc2c(C)cccc2Cl)CCCCC1 ZINC000625935000 1057539687 /nfs/dbraw/zinc/53/96/87/1057539687.db2.gz JAXCQYAQSOSNQS-UHFFFAOYSA-N 1 0 320.864 4.456 20 30 DIEDRO C=CCC1([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CCCCC1 ZINC000625935066 1057539916 /nfs/dbraw/zinc/53/99/16/1057539916.db2.gz LKIWZTOIAJRAHI-UHFFFAOYSA-N 1 0 320.521 4.140 20 30 DIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)s1 ZINC000611268874 1057586757 /nfs/dbraw/zinc/58/67/57/1057586757.db2.gz JAMZUNRLGUKYQX-UHFFFAOYSA-N 1 0 318.392 4.278 20 30 DIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOc2ccccc21 ZINC000611265044 1057586986 /nfs/dbraw/zinc/58/69/86/1057586986.db2.gz QNAVTJBXUXXCBT-IBGZPJMESA-N 1 0 318.420 4.113 20 30 DIEDRO CC[N@H+](Cc1nn(C)c2ccccc12)[C@H](C)c1ccc(C#N)cc1 ZINC000611256422 1057587191 /nfs/dbraw/zinc/58/71/91/1057587191.db2.gz LLCPYLXWGZSPPU-OAHLLOKOSA-N 1 0 318.424 4.028 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)o1 ZINC000611259287 1057587333 /nfs/dbraw/zinc/58/73/33/1057587333.db2.gz USPFKCLZUVZBSK-OAHLLOKOSA-N 1 0 305.381 4.012 20 30 DIEDRO C[C@H]([NH2+]CCCOc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000611386692 1057594227 /nfs/dbraw/zinc/59/42/27/1057594227.db2.gz RQTRIKNOAHPEER-AWEZNQCLSA-N 1 0 314.816 4.331 20 30 DIEDRO C[C@@H]([NH2+]CCSc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000611389101 1057594316 /nfs/dbraw/zinc/59/43/16/1057594316.db2.gz XBUZQRMSLFYCBR-CYBMUJFWSA-N 1 0 300.402 4.140 20 30 DIEDRO Cc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c2ccccc2n1 ZINC000611387409 1057594399 /nfs/dbraw/zinc/59/43/99/1057594399.db2.gz NKRCJSWNRJOKGZ-OAHLLOKOSA-N 1 0 301.393 4.266 20 30 DIEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1c(C)nn(C)c1C ZINC000611393164 1057594993 /nfs/dbraw/zinc/59/49/93/1057594993.db2.gz MBYJYWMMUJYKQF-OALUTQOASA-N 1 0 322.456 4.027 20 30 DIEDRO C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Oc1ccc(F)cc1 ZINC000611393017 1057595253 /nfs/dbraw/zinc/59/52/53/1057595253.db2.gz CUVCLZRWVMFODA-XOBRGWDASA-N 1 0 324.399 4.132 20 30 DIEDRO COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392980 1057595312 /nfs/dbraw/zinc/59/53/12/1057595312.db2.gz AIAIQEFXEDDPRX-SCLBCKFNSA-N 1 0 324.399 4.434 20 30 DIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1c(C)nn(C)c1C ZINC000611393165 1057595492 /nfs/dbraw/zinc/59/54/92/1057595492.db2.gz MBYJYWMMUJYKQF-RBUKOAKNSA-N 1 0 322.456 4.027 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CSc2ccccc21 ZINC000611393429 1057595605 /nfs/dbraw/zinc/59/56/05/1057595605.db2.gz UFWYGWHNTSLVDY-MSOLQXFVSA-N 1 0 306.434 4.372 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CSc2ccccc21 ZINC000611393444 1057595691 /nfs/dbraw/zinc/59/56/91/1057595691.db2.gz UFWYGWHNTSLVDY-ZWKOTPCHSA-N 1 0 306.434 4.372 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1cccnc1)C1CC1 ZINC000611395267 1057596286 /nfs/dbraw/zinc/59/62/86/1057596286.db2.gz ZNGXGZMWALMOSM-PMACEKPBSA-N 1 0 303.409 4.072 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1c[nH]c2ccccc12 ZINC000611390251 1057597292 /nfs/dbraw/zinc/59/72/92/1057597292.db2.gz MFKMGVXDOVMBHV-FQEVSTJZSA-N 1 0 315.420 4.249 20 30 DIEDRO CC([NH2+]Cc1ccnc(C#N)c1)(c1ccccc1)c1ccccc1 ZINC000611390338 1057597395 /nfs/dbraw/zinc/59/73/95/1057597395.db2.gz UAAGRCGDLAPPIZ-UHFFFAOYSA-N 1 0 313.404 4.007 20 30 DIEDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000611465992 1057600930 /nfs/dbraw/zinc/60/09/30/1057600930.db2.gz FBOCRIPUROXFMN-HUUCEWRRSA-N 1 0 308.400 4.153 20 30 DIEDRO C[C@H]([NH2+][C@H]1CSCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000611465602 1057601317 /nfs/dbraw/zinc/60/13/17/1057601317.db2.gz ROVMHAYBGRQYNS-SGTLLEGYSA-N 1 0 312.413 4.336 20 30 DIEDRO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000611465603 1057601505 /nfs/dbraw/zinc/60/15/05/1057601505.db2.gz ROVMHAYBGRQYNS-XIKOKIGWSA-N 1 0 312.413 4.336 20 30 DIEDRO Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611476928 1057602915 /nfs/dbraw/zinc/60/29/15/1057602915.db2.gz FDJQBCPWVPPHKO-OAQYLSRUSA-N 1 0 319.452 4.418 20 30 DIEDRO C[C@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000611477057 1057603016 /nfs/dbraw/zinc/60/30/16/1057603016.db2.gz XSYVCOKCGJRWNJ-KRWDZBQOSA-N 1 0 320.436 4.348 20 30 DIEDRO COc1cccc(C2([NH2+][C@@H]3CCCc4cc(C#N)ccc43)CC2)c1 ZINC000611475532 1057603110 /nfs/dbraw/zinc/60/31/10/1057603110.db2.gz OUMDZLUDZCILKX-HXUWFJFHSA-N 1 0 318.420 4.223 20 30 DIEDRO CC(C)c1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)ccc1O ZINC001243257343 1057622627 /nfs/dbraw/zinc/62/26/27/1057622627.db2.gz BANUTPIEWXRQFA-UHFFFAOYSA-N 1 0 320.436 4.327 20 30 DIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)C(C2CC2)C2CC2)c1O ZINC000727166154 1057640864 /nfs/dbraw/zinc/64/08/64/1057640864.db2.gz WVYAANYCLYMWBY-UHFFFAOYSA-N 1 0 315.457 4.140 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(C2(C#N)CC2)cn1 ZINC001243334879 1057650059 /nfs/dbraw/zinc/65/00/59/1057650059.db2.gz KXXBNQPIKRKVCL-UHFFFAOYSA-N 1 0 305.425 4.146 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1cc(/C=N/O)ccc1F ZINC001243335207 1057650601 /nfs/dbraw/zinc/65/06/01/1057650601.db2.gz DCYALZLTCSAHBQ-UDWIEESQSA-N 1 0 300.377 4.143 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1cc(F)c(C#N)c(F)c1 ZINC001243338056 1057651155 /nfs/dbraw/zinc/65/11/55/1057651155.db2.gz KAVKFBYZLCGOBW-UHFFFAOYSA-N 1 0 300.352 4.345 20 30 DIEDRO CC[NH+](CC)Cc1ccccc1-c1ccc(OC)c(CC#N)c1 ZINC001243339975 1057652266 /nfs/dbraw/zinc/65/22/66/1057652266.db2.gz ZCJSHXYIAXRVOE-UHFFFAOYSA-N 1 0 308.425 4.270 20 30 DIEDRO C[C@H](C[N@H+](C)CCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000727437202 1057653099 /nfs/dbraw/zinc/65/30/99/1057653099.db2.gz GRIGXGNZFSJBSU-QGZVFWFLSA-N 1 0 308.425 4.063 20 30 DIEDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(N=Cc3cccc(O)c3O)c2C1 ZINC000727685479 1057663995 /nfs/dbraw/zinc/66/39/95/1057663995.db2.gz ORWMPZUKZGBERL-CQSZACIVSA-N 1 0 324.424 4.209 20 30 DIEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000727839066 1057676809 /nfs/dbraw/zinc/67/68/09/1057676809.db2.gz VMHQEFLWNXNOOG-ICSRJNTNSA-N 1 0 313.489 4.485 20 30 DIEDRO N#CC1(c2ccc(-c3cc(C[NH+]4CCCCC4)ccn3)cc2)CC1 ZINC001243418729 1057678010 /nfs/dbraw/zinc/67/80/10/1057678010.db2.gz JIGQDWGVPBALNV-UHFFFAOYSA-N 1 0 317.436 4.290 20 30 DIEDRO CC[N@@H+]1CCc2cc(-c3ccc(C4(C#N)CC4)cc3)ccc2C1 ZINC001243421233 1057678423 /nfs/dbraw/zinc/67/84/23/1057678423.db2.gz VWUUBNDBIHHGJP-UHFFFAOYSA-N 1 0 302.421 4.287 20 30 DIEDRO C[N@H+](Cc1cscc1Br)CC(C)(C)CCC#N ZINC001119451044 1057695146 /nfs/dbraw/zinc/69/51/46/1057695146.db2.gz UKQRVQHCLISCSF-UHFFFAOYSA-N 1 0 315.280 4.272 20 30 DIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](C)CCCCCC)CC1 ZINC000729977211 1057699975 /nfs/dbraw/zinc/69/99/75/1057699975.db2.gz OFGRXYIGLDZWKB-QGZVFWFLSA-N 1 0 308.510 4.140 20 30 DIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(OCC#N)cc2)nc1 ZINC001243588585 1057725348 /nfs/dbraw/zinc/72/53/48/1057725348.db2.gz KCHWGLWIYMNTMQ-MRXNPFEDSA-N 1 0 321.424 4.025 20 30 DIEDRO CC[NH+]1CCC(c2ccc(-c3ccccc3OCC#N)cc2)CC1 ZINC001243587655 1057725635 /nfs/dbraw/zinc/72/56/35/1057725635.db2.gz AHDFKKPQUJNTME-UHFFFAOYSA-N 1 0 320.436 4.455 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccccc3OCC#N)cc2)CC1 ZINC001243589265 1057726140 /nfs/dbraw/zinc/72/61/40/1057726140.db2.gz REBSXKUOHUAGOX-UHFFFAOYSA-N 1 0 306.409 4.065 20 30 DIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000731211990 1057737565 /nfs/dbraw/zinc/73/75/65/1057737565.db2.gz MNTFNDBSSCEHGY-INIZCTEOSA-N 1 0 306.409 4.315 20 30 DIEDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731211350 1057737959 /nfs/dbraw/zinc/73/79/59/1057737959.db2.gz HNECOZTYEYKMPI-KRWDZBQOSA-N 1 0 320.436 4.390 20 30 DIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000731211637 1057738090 /nfs/dbraw/zinc/73/80/90/1057738090.db2.gz RTKAFGDOMAFWIR-HNNXBMFYSA-N 1 0 312.388 4.311 20 30 DIEDRO Cc1cc(-c2ccc(C3CC[NH+](C)CC3)cc2)nc(C)c1C#N ZINC001243650960 1057743525 /nfs/dbraw/zinc/74/35/25/1057743525.db2.gz DMHBURYVWFSSEB-UHFFFAOYSA-N 1 0 305.425 4.046 20 30 DIEDRO Cc1cc(C)c(C#N)c(-c2ccc(C3CC[NH+](C)CC3)cc2)n1 ZINC001243651672 1057743916 /nfs/dbraw/zinc/74/39/16/1057743916.db2.gz YHAQCTQDEUGRRD-UHFFFAOYSA-N 1 0 305.425 4.046 20 30 DIEDRO COc1ccc(-c2ccc(C3CC[NH+](C)CC3)cc2)cc1CC#N ZINC001243653518 1057744089 /nfs/dbraw/zinc/74/40/89/1057744089.db2.gz YOBBDXAMHJWEAG-UHFFFAOYSA-N 1 0 320.436 4.237 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3cc(F)cc(CC#N)c3)cc2)CC1 ZINC001243654726 1057744679 /nfs/dbraw/zinc/74/46/79/1057744679.db2.gz LMORTDBMKRDGFI-UHFFFAOYSA-N 1 0 308.400 4.368 20 30 DIEDRO COc1ccc(-c2ccc(C3CC[NH+](C)CC3)cc2)c(CC#N)c1 ZINC001243654577 1057744691 /nfs/dbraw/zinc/74/46/91/1057744691.db2.gz HUGDIKAIRYQRIN-UHFFFAOYSA-N 1 0 320.436 4.237 20 30 DIEDRO C[NH+]1CCC(c2ccc(-c3ccc4c(c3)CC/C4=N/O)cc2)CC1 ZINC001243656316 1057745380 /nfs/dbraw/zinc/74/53/80/1057745380.db2.gz CMYCADJUYBTEJC-DQRAZIAOSA-N 1 0 320.436 4.287 20 30 DIEDRO CC[NH+](CC)Cc1cc(C)ccc1-c1ccc(OC)cc1C#N ZINC001243732634 1057765077 /nfs/dbraw/zinc/76/50/77/1057765077.db2.gz WXYZEVYPYDAGLT-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO COc1ccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c(C#N)c1 ZINC001243732765 1057765372 /nfs/dbraw/zinc/76/53/72/1057765372.db2.gz YJJWKMLSUPVYST-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(OC)cc1C#N ZINC001243732274 1057765415 /nfs/dbraw/zinc/76/54/15/1057765415.db2.gz LPXCAIKUWGMWFZ-UHFFFAOYSA-N 1 0 324.424 4.084 20 30 DIEDRO N#C[C@H]1CC=C(c2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)CC1 ZINC001243793369 1057781054 /nfs/dbraw/zinc/78/10/54/1057781054.db2.gz BTHDZQJVHQJZCG-MAUKXSAKSA-N 1 0 320.440 4.058 20 30 DIEDRO COc1ccc(C2=CC[C@H](C#N)CC2)cc1C[NH+]1CCCCC1 ZINC001243799364 1057781858 /nfs/dbraw/zinc/78/18/58/1057781858.db2.gz YAQMRLOAVWOJKS-INIZCTEOSA-N 1 0 310.441 4.388 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OCC(C)C)cc2)cc1 ZINC000733324786 1057812694 /nfs/dbraw/zinc/81/26/94/1057812694.db2.gz CIBOUPXLVZJMSC-UHFFFAOYSA-N 1 0 323.436 4.023 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(SC)cc2)cc1 ZINC000733324181 1057812720 /nfs/dbraw/zinc/81/27/20/1057812720.db2.gz LSIZMMANIGVYCS-OAHLLOKOSA-N 1 0 311.450 4.271 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)Cc2ccccc2C)cc1 ZINC000733324960 1057812915 /nfs/dbraw/zinc/81/29/15/1057812915.db2.gz NSVVIHMDDPDQPP-GOSISDBHSA-N 1 0 307.437 4.118 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000733325363 1057813132 /nfs/dbraw/zinc/81/31/32/1057813132.db2.gz FHMOAHLOFMCIDA-UHFFFAOYSA-N 1 0 318.420 4.087 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccccc2Cl)cc1 ZINC000733326013 1057813217 /nfs/dbraw/zinc/81/32/17/1057813217.db2.gz CXHJOCTVVGSAOD-UHFFFAOYSA-N 1 0 313.828 4.074 20 30 DIEDRO C#CCOc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000733326245 1057813742 /nfs/dbraw/zinc/81/37/42/1057813742.db2.gz RIZGTKGOFNSALN-UHFFFAOYSA-N 1 0 319.326 4.007 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC2(c3ccccc3C)CC2)cc1 ZINC000733327471 1057814094 /nfs/dbraw/zinc/81/40/94/1057814094.db2.gz RQRAGMMQOJQALY-UHFFFAOYSA-N 1 0 319.448 4.219 20 30 DIEDRO N#Cc1cc(-c2[nH+]ccc3c2ccn3Cc2ccccc2)ccc1N ZINC001244113289 1057873107 /nfs/dbraw/zinc/87/31/07/1057873107.db2.gz ZXNMPMTYMUBVDL-UHFFFAOYSA-N 1 0 324.387 4.205 20 30 DIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(N)c(C#N)c2)cc1 ZINC001244116877 1057874118 /nfs/dbraw/zinc/87/41/18/1057874118.db2.gz UPWQLNRDYGDISJ-FQEVSTJZSA-N 1 0 303.409 4.130 20 30 DIEDRO N#Cc1cnccc1-c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001244333501 1057935795 /nfs/dbraw/zinc/93/57/95/1057935795.db2.gz HNHVYUMCEXKESG-UHFFFAOYSA-N 1 0 311.388 4.136 20 30 DIEDRO CC(C)c1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)ccc1N ZINC001244342876 1057937696 /nfs/dbraw/zinc/93/76/96/1057937696.db2.gz XJXBNVXTNVSAQB-UHFFFAOYSA-N 1 0 319.452 4.204 20 30 DIEDRO CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(C)c(C#N)c1 ZINC001244494407 1057975125 /nfs/dbraw/zinc/97/51/25/1057975125.db2.gz NHLNXGRTSDZOQZ-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO Cc1ccc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)cc1C#N ZINC001244496137 1057975591 /nfs/dbraw/zinc/97/55/91/1057975591.db2.gz LSZBCYICYLOKFF-UHFFFAOYSA-N 1 0 303.409 4.119 20 30 DIEDRO COc1ccc(-c2cc(C#N)ccc2F)c(C[NH+]2CCCCC2)c1 ZINC001244558274 1057995739 /nfs/dbraw/zinc/99/57/39/1057995739.db2.gz LZRJDJGOUXCVRJ-UHFFFAOYSA-N 1 0 324.399 4.359 20 30 DIEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(-c2cccc(Cl)c2C#N)nc1 ZINC001244725421 1058035682 /nfs/dbraw/zinc/03/56/82/1058035682.db2.gz UULQGVBSNVMUHX-GOSISDBHSA-N 1 0 311.816 4.430 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1ccc2c(c1)CCC21CC[NH2+]CC1 ZINC001244723913 1058035738 /nfs/dbraw/zinc/03/57/38/1058035738.db2.gz IFQVCPXTHQBJJC-UHFFFAOYSA-N 1 0 322.839 4.446 20 30 DIEDRO N#Cc1c(Cl)cccc1-c1cncc(C[NH+]2CCCCC2)c1 ZINC001244734295 1058036739 /nfs/dbraw/zinc/03/67/39/1058036739.db2.gz RHZKBTFFSHZTQC-UHFFFAOYSA-N 1 0 311.816 4.260 20 30 DIEDRO CC[NH+](CC)Cc1cc(-c2cccc(C#N)c2C)ccc1OC ZINC001244820331 1058052749 /nfs/dbraw/zinc/05/27/49/1058052749.db2.gz OEVOMYZBDJDIEI-UHFFFAOYSA-N 1 0 308.425 4.384 20 30 DIEDRO C[NH+](C)Cc1cccc(-c2nc(C(C)(C)C)ccc2C#N)c1F ZINC001244864131 1058059734 /nfs/dbraw/zinc/05/97/34/1058059734.db2.gz OWKYORJBSAHQJV-UHFFFAOYSA-N 1 0 311.404 4.118 20 30 DIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)cc2F)cc1 ZINC001244915001 1058070674 /nfs/dbraw/zinc/07/06/74/1058070674.db2.gz MNTQYKGVRJQWAG-HXUWFJFHSA-N 1 0 311.400 4.308 20 30 DIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc(C#N)c2F)nc1 ZINC001245069326 1058106386 /nfs/dbraw/zinc/10/63/86/1058106386.db2.gz QAEGJARCSFPWJG-AWEZNQCLSA-N 1 0 309.388 4.134 20 30 DIEDRO C[NH+](C)CCCOc1ccc(-c2ccc(C(C)(C)C#N)cc2)cc1 ZINC001245337689 1058146428 /nfs/dbraw/zinc/14/64/28/1058146428.db2.gz AFOKSBSLTVAUIS-UHFFFAOYSA-N 1 0 322.452 4.485 20 30 DIEDRO Cc1cc(-c2ccc(OCCC[NH+](C)C)cc2)cc(F)c1C#N ZINC001245338802 1058146732 /nfs/dbraw/zinc/14/67/32/1058146732.db2.gz HYPSYBUHRLZURI-UHFFFAOYSA-N 1 0 312.388 4.003 20 30 DIEDRO Cc1cc(F)cc(-c2ccc(OCCC[NH+](C)C)cc2)c1C#N ZINC001245339469 1058146975 /nfs/dbraw/zinc/14/69/75/1058146975.db2.gz VSCFOYBZTHOAIJ-UHFFFAOYSA-N 1 0 312.388 4.003 20 30 DIEDRO N#CCc1cc2ccccc2nc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245348389 1058149740 /nfs/dbraw/zinc/14/97/40/1058149740.db2.gz MZYHLIPOMKXBAL-IBGZPJMESA-N 1 0 313.404 4.392 20 30 DIEDRO N#Cc1cc2ccc(C3=CC[C@@H]([NH+]4CCOCC4)CC3)cc2s1 ZINC001245427724 1058164754 /nfs/dbraw/zinc/16/47/54/1058164754.db2.gz XRADFVXJOZLBEL-QGZVFWFLSA-N 1 0 324.449 4.041 20 30 DIEDRO N#Cc1ccc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)cc1 ZINC001245496476 1058184060 /nfs/dbraw/zinc/18/40/60/1058184060.db2.gz BDCYDICKTVXMKV-WOJBJXKFSA-N 1 0 306.409 4.012 20 30 DIEDRO N#Cc1cc2cc(-c3ccc(C4CC[NH2+]CC4)cc3)ccc2[nH]1 ZINC001245526463 1058202263 /nfs/dbraw/zinc/20/22/63/1058202263.db2.gz PLOJABXTEKBDIS-UHFFFAOYSA-N 1 0 301.393 4.174 20 30 DIEDRO N#Cc1ccc(-c2ccc(C3CC[NH2+]CC3)cc2)c2cc[nH]c21 ZINC001245527171 1058205089 /nfs/dbraw/zinc/20/50/89/1058205089.db2.gz TXBPJBNQORYSDE-UHFFFAOYSA-N 1 0 301.393 4.174 20 30 DIEDRO N#CC1(c2ccccc2-c2cc3cc(F)ccc3[nH]2)CC[NH2+]CC1 ZINC001245577270 1058245472 /nfs/dbraw/zinc/24/54/72/1058245472.db2.gz WKOYJVABGZUXIR-UHFFFAOYSA-N 1 0 319.383 4.119 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001528766866 1058513532 /nfs/dbraw/zinc/51/35/32/1058513532.db2.gz YDHHCSRCCQOWQU-MSOLQXFVSA-N 1 0 310.526 4.314 20 30 DIEDRO C#CCC1(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)CCCCC1 ZINC001556070881 1058538223 /nfs/dbraw/zinc/53/82/23/1058538223.db2.gz RYVALKZIUNWMHA-UHFFFAOYSA-N 1 0 322.452 4.077 20 30 DIEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1-c1ccc2c[nH+]cn2c1 ZINC001245894165 1058603172 /nfs/dbraw/zinc/60/31/72/1058603172.db2.gz GJNSKTABGSRYBL-UHFFFAOYSA-N 1 0 314.323 4.074 20 30 DIEDRO N#CCc1ccc(-c2ccc3c[nH+]cn3c2)cc1C(F)(F)F ZINC001245895819 1058605739 /nfs/dbraw/zinc/60/57/39/1058605739.db2.gz FQAMLXKURGQURW-UHFFFAOYSA-N 1 0 301.271 4.086 20 30 DIEDRO CC(C)([NH3+])c1ccc(-c2cc(OC3CCC3)cc(F)c2C#N)cc1 ZINC001245909062 1058612421 /nfs/dbraw/zinc/61/24/21/1058612421.db2.gz GQBCFZKOKVFMQM-UHFFFAOYSA-N 1 0 324.399 4.489 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](CC)C[C@H]1C ZINC001556564368 1058612872 /nfs/dbraw/zinc/61/28/72/1058612872.db2.gz MDERIRZTXWGXQF-ZWKOTPCHSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCCCC[C@H](O)CNc1cccc(C[NH3+])c1 ZINC001245964085 1058648600 /nfs/dbraw/zinc/64/86/00/1058648600.db2.gz UEDOLPKSHGVMSN-IBGZPJMESA-N 1 0 306.494 4.449 20 30 DIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246134493 1058692822 /nfs/dbraw/zinc/69/28/22/1058692822.db2.gz NLILJGGREDXIRK-XUBOLADHSA-N 1 0 324.553 4.405 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@@]2(CN(C3CCCC3)CCO2)C1 ZINC001278435686 1058742117 /nfs/dbraw/zinc/74/21/17/1058742117.db2.gz UVXQZMDUMDAYML-FQEVSTJZSA-N 1 0 322.537 4.066 20 30 DIEDRO CCCCCCC[NH2+][C@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246235399 1058755780 /nfs/dbraw/zinc/75/57/80/1058755780.db2.gz ZMYQUVLQYSLLNX-HKUYNNGSSA-N 1 0 306.469 4.487 20 30 DIEDRO CCCCCCCC[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001557510303 1058761045 /nfs/dbraw/zinc/76/10/45/1058761045.db2.gz RYDBVOPGLDNIFV-QZTJIDSGSA-N 1 0 310.526 4.221 20 30 DIEDRO CCCCCCCCCCCC[C@@H](C)[NH2+]C[C@H](N)COC ZINC001246242168 1058764780 /nfs/dbraw/zinc/76/47/80/1058764780.db2.gz XOAPRRNRGOXMQJ-MSOLQXFVSA-N 1 0 300.531 4.249 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246317948 1058828088 /nfs/dbraw/zinc/82/80/88/1058828088.db2.gz PFDRYNMREBVKAL-BZSNNMDCSA-N 1 0 316.489 4.213 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)N[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246316680 1058828360 /nfs/dbraw/zinc/82/83/60/1058828360.db2.gz JFYGCZGAEJXLDM-ZJPYXAASSA-N 1 0 316.489 4.211 20 30 DIEDRO C=CCCC[C@H](NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC001558133832 1058840828 /nfs/dbraw/zinc/84/08/28/1058840828.db2.gz VVIRQIQBNCRRQD-ROUUACIJSA-N 1 0 314.473 4.073 20 30 DIEDRO CCCCCCC[C@H](CC)[NH2+][C@H]1CCNC[C@H]1C(F)(F)F ZINC001246339281 1058849199 /nfs/dbraw/zinc/84/91/99/1058849199.db2.gz CXGVBZCXOKZOAH-ZNMIVQPWSA-N 1 0 308.432 4.256 20 30 DIEDRO CCCCCCCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2 ZINC001246390872 1058896086 /nfs/dbraw/zinc/89/60/86/1058896086.db2.gz PYRONJNJZRHSMH-YSTOQKLRSA-N 1 0 324.553 4.405 20 30 DIEDRO C=C(C)c1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC001558713132 1058902588 /nfs/dbraw/zinc/90/25/88/1058902588.db2.gz CCVBPMAJCWWJDI-HXUWFJFHSA-N 1 0 320.436 4.323 20 30 DIEDRO C=C(C)c1cccc(NC(=O)C2CC[NH+](CC(C)C)CC2)c1 ZINC001558714040 1058902965 /nfs/dbraw/zinc/90/29/65/1058902965.db2.gz YMDUVDPFWBCREU-UHFFFAOYSA-N 1 0 300.446 4.026 20 30 DIEDRO CC(C)[C@H](CNc1cc(F)ccc1C#N)[NH+]1CCCCCC1 ZINC001559062217 1058958314 /nfs/dbraw/zinc/95/83/14/1058958314.db2.gz PMTUFNPKIQUGMM-SFHVURJKSA-N 1 0 303.425 4.010 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNc1cc(C)sc1[N+](=O)[O-])C(C)C ZINC001559064424 1058962448 /nfs/dbraw/zinc/96/24/48/1058962448.db2.gz NMINORLFHCVLLR-OAHLLOKOSA-N 1 0 323.462 4.075 20 30 DIEDRO C=CCC[C@@H](C)N(CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC001246826117 1059110738 /nfs/dbraw/zinc/11/07/38/1059110738.db2.gz WTQFZJMWVXRYOI-GFCCVEGCSA-N 1 0 301.261 4.109 20 30 DIEDRO CCCCCCCCCCCC[N@H+](C)[C@@H]1CCN[C@H](C#N)C1 ZINC001246861194 1059137045 /nfs/dbraw/zinc/13/70/45/1059137045.db2.gz SWJJGKVWASCMAW-RBUKOAKNSA-N 1 0 307.526 4.483 20 30 DIEDRO CCCCCCC[C@H](C)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246954303 1059202431 /nfs/dbraw/zinc/20/24/31/1059202431.db2.gz YDYMOUYCOHLXQO-ICSRJNTNSA-N 1 0 317.521 4.385 20 30 DIEDRO N#Cc1ccc(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001559429083 1059226275 /nfs/dbraw/zinc/22/62/75/1059226275.db2.gz GOLQBFACLJYPIO-HXUWFJFHSA-N 1 0 322.477 4.456 20 30 DIEDRO CC1(C#N)CCC([NH+]2CCC3(CCNc4ccccc43)CC2)CC1 ZINC001247007773 1059234252 /nfs/dbraw/zinc/23/42/52/1059234252.db2.gz HHHMRDFPTIDLJI-UHFFFAOYSA-N 1 0 323.484 4.308 20 30 DIEDRO C[C@@H]1C[C@@H](C)C[NH+](CCSc2cccc(C#N)c2Cl)C1 ZINC001559469981 1059248737 /nfs/dbraw/zinc/24/87/37/1059248737.db2.gz GHAXPJWQUVMJRQ-CHWSQXEVSA-N 1 0 308.878 4.282 20 30 DIEDRO C=CCCCCCc1nc2ccccc2n1CC1CC[NH2+]CC1 ZINC001247021515 1059249645 /nfs/dbraw/zinc/24/96/45/1059249645.db2.gz PFHCRNOEGURRSD-UHFFFAOYSA-N 1 0 311.473 4.325 20 30 DIEDRO CC[N@H+](C[C@H]1CCC2(CCC2)CO1)[C@H](C)c1ccc(C#N)cc1 ZINC001559494290 1059275981 /nfs/dbraw/zinc/27/59/81/1059275981.db2.gz BCZQTHUCTSACPV-VQIMIIECSA-N 1 0 312.457 4.290 20 30 DIEDRO C=CCCCC[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC001559500415 1059283517 /nfs/dbraw/zinc/28/35/17/1059283517.db2.gz ZKQHCTGRFRQYPN-IBGZPJMESA-N 1 0 303.446 4.033 20 30 DIEDRO N#CC1CCC(C[NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC001559498900 1059283559 /nfs/dbraw/zinc/28/35/59/1059283559.db2.gz CAZXBIROZGTXML-UHFFFAOYSA-N 1 0 312.457 4.107 20 30 DIEDRO C#CC[N@H+](Cc1cnc2ccccc2c1)[C@H]1CCc2ccccc21 ZINC001559499258 1059283996 /nfs/dbraw/zinc/28/39/96/1059283996.db2.gz MWKUVPWIQYPYAB-QFIPXVFZSA-N 1 0 312.416 4.358 20 30 DIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)C1CCCCC1 ZINC001559523300 1059322194 /nfs/dbraw/zinc/32/21/94/1059322194.db2.gz NPNXYSBGOKZTTA-KRWDZBQOSA-N 1 0 314.473 4.223 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1C#N ZINC001559527690 1059325533 /nfs/dbraw/zinc/32/55/33/1059325533.db2.gz KILXACUKAJXLGL-LJQANCHMSA-N 1 0 304.437 4.321 20 30 DIEDRO CC[C@H](C)[C@H](C)[N@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC001559530977 1059330753 /nfs/dbraw/zinc/33/07/53/1059330753.db2.gz IQQHVRXIMFDBPF-HOTGVXAUSA-N 1 0 300.446 4.226 20 30 DIEDRO N#Cc1cccc(OC2CC[NH+](CC3CCC4(CC4)CC3)CC2)c1 ZINC001559529974 1059331299 /nfs/dbraw/zinc/33/12/99/1059331299.db2.gz HBRMOAXTUIKSNT-UHFFFAOYSA-N 1 0 324.468 4.372 20 30 DIEDRO C=CCCCCC[N@@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC001559553485 1059362817 /nfs/dbraw/zinc/36/28/17/1059362817.db2.gz DXMSMRSUTLJCAX-UHFFFAOYSA-N 1 0 320.521 4.234 20 30 DIEDRO CCCCCCCC[C@H](C)CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001531655709 1059383944 /nfs/dbraw/zinc/38/39/44/1059383944.db2.gz GODICBGQTZEWED-FXAWDEMLSA-N 1 0 322.537 4.364 20 30 DIEDRO CCCCCCCC[C@@H](C)CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001531655712 1059384044 /nfs/dbraw/zinc/38/40/44/1059384044.db2.gz GODICBGQTZEWED-YLJYHZDGSA-N 1 0 322.537 4.364 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC001559570706 1059401959 /nfs/dbraw/zinc/40/19/59/1059401959.db2.gz ZVDAUXJTEHAFBJ-KDOFPFPSSA-N 1 0 324.424 4.442 20 30 DIEDRO CCCC[NH+](CCCC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC001559572403 1059405893 /nfs/dbraw/zinc/40/58/93/1059405893.db2.gz YBKSZXIEFMRQDZ-UHFFFAOYSA-N 1 0 321.852 4.052 20 30 DIEDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCC1(C#N)CCCCC1 ZINC001559612543 1059442975 /nfs/dbraw/zinc/44/29/75/1059442975.db2.gz VZEDGKVPSJFBQJ-IRXDYDNUSA-N 1 0 306.494 4.376 20 30 DIEDRO C=CCCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559626466 1059454930 /nfs/dbraw/zinc/45/49/30/1059454930.db2.gz UGHJVMYKCHZTIG-IAGOWNOFSA-N 1 0 324.509 4.358 20 30 DIEDRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559650508 1059479317 /nfs/dbraw/zinc/47/93/17/1059479317.db2.gz GYGOEXUTZMTSKN-INIZCTEOSA-N 1 0 301.390 4.011 20 30 DIEDRO CCCCCCCc1ccc(-c2noc(CCC[NH3+])n2)cc1 ZINC001247428543 1059480290 /nfs/dbraw/zinc/48/02/90/1059480290.db2.gz KRILKSFLWWJBHU-UHFFFAOYSA-N 1 0 301.434 4.141 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1CC1 ZINC001559658684 1059490859 /nfs/dbraw/zinc/49/08/59/1059490859.db2.gz OKEGWMICERJWLM-UHFFFAOYSA-N 1 0 300.405 4.070 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)o1 ZINC001559662095 1059493297 /nfs/dbraw/zinc/49/32/97/1059493297.db2.gz PFIDZLQXSWBICB-SFHVURJKSA-N 1 0 308.425 4.386 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC001559670196 1059496685 /nfs/dbraw/zinc/49/66/85/1059496685.db2.gz DJAGOMPOFIJMEE-LJQANCHMSA-N 1 0 312.388 4.207 20 30 DIEDRO CC[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC001559682466 1059510498 /nfs/dbraw/zinc/51/04/98/1059510498.db2.gz IJIGIRBTHRWTAH-LJQANCHMSA-N 1 0 300.446 4.276 20 30 DIEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC001559684222 1059512805 /nfs/dbraw/zinc/51/28/05/1059512805.db2.gz AZBMCNSAJMJYFR-LJQANCHMSA-N 1 0 310.828 4.323 20 30 DIEDRO CCCCCCCCC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001559690606 1059519343 /nfs/dbraw/zinc/51/93/43/1059519343.db2.gz QHMYAGDXYJODLX-IBGZPJMESA-N 1 0 307.453 4.470 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC001559696085 1059527808 /nfs/dbraw/zinc/52/78/08/1059527808.db2.gz ONDQUKYIOYUSSN-ROUUACIJSA-N 1 0 307.865 4.488 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001559701173 1059528114 /nfs/dbraw/zinc/52/81/14/1059528114.db2.gz NZCJERLPCIUZEG-ZWKOTPCHSA-N 1 0 307.865 4.488 20 30 DIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCc1ccc(C#N)cc1)[C@@H]2C ZINC001559739326 1059571053 /nfs/dbraw/zinc/57/10/53/1059571053.db2.gz OAIPLZVEOVWJEN-HZPDHXFCSA-N 1 0 320.436 4.117 20 30 DIEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1C#N ZINC001559759510 1059593153 /nfs/dbraw/zinc/59/31/53/1059593153.db2.gz WVQWOUGRHIREGA-AEFFLSMTSA-N 1 0 300.446 4.132 20 30 DIEDRO CCCCCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001559781706 1059615331 /nfs/dbraw/zinc/61/53/31/1059615331.db2.gz OPRQTMDKWCXELR-KRWDZBQOSA-N 1 0 304.478 4.108 20 30 DIEDRO C=CC[C@H]1[N@H+](CCC(=O)Nc2ccccc2C)CCCC1(C)C ZINC001559797072 1059632681 /nfs/dbraw/zinc/63/26/81/1059632681.db2.gz FYZNWEHJEULSTM-GOSISDBHSA-N 1 0 314.473 4.390 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(Cl)cc2C#N)[C@H](C)[C@@H]1OC ZINC001559811015 1059646773 /nfs/dbraw/zinc/64/67/73/1059646773.db2.gz BRIPWDFODXFEGL-VUCTXSBTSA-N 1 0 320.864 4.141 20 30 DIEDRO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCC2(CCCCCC2)O1 ZINC001559819653 1059652288 /nfs/dbraw/zinc/65/22/88/1059652288.db2.gz BJAXRZZDZMZNPL-HXUWFJFHSA-N 1 0 311.469 4.394 20 30 DIEDRO CCCCCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC001559831192 1059665252 /nfs/dbraw/zinc/66/52/52/1059665252.db2.gz NNMCEMIZEGYYAQ-HSALFYBXSA-N 1 0 301.474 4.461 20 30 DIEDRO COc1cccc2c1C[N@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC001559841847 1059670445 /nfs/dbraw/zinc/67/04/45/1059670445.db2.gz WCOQVRAMLWKBNM-UHFFFAOYSA-N 1 0 320.436 4.055 20 30 DIEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559879679 1059701696 /nfs/dbraw/zinc/70/16/96/1059701696.db2.gz OTARGGYTCHLLAH-XJKSGUPXSA-N 1 0 315.417 4.113 20 30 DIEDRO C[N@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001559921856 1059737903 /nfs/dbraw/zinc/73/79/03/1059737903.db2.gz UJYMVXIFZUCZTN-RTBURBONSA-N 1 0 314.473 4.474 20 30 DIEDRO C[NH2+][C@H](CC(C)C)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001248206481 1059750168 /nfs/dbraw/zinc/75/01/68/1059750168.db2.gz VQRWBZFQMHPYKT-QGZVFWFLSA-N 1 0 320.396 4.068 20 30 DIEDRO C=CCC(C)(C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001525111391 1059756280 /nfs/dbraw/zinc/75/62/80/1059756280.db2.gz DOLQZNHXAJRXSS-INIZCTEOSA-N 1 0 314.473 4.459 20 30 DIEDRO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CC2(CCCCC2)O1 ZINC001559954102 1059766416 /nfs/dbraw/zinc/76/64/16/1059766416.db2.gz LJXWYUXBPJUUDT-QGZVFWFLSA-N 1 0 304.478 4.274 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC001559983484 1059787970 /nfs/dbraw/zinc/78/79/70/1059787970.db2.gz SFPZXPGVVVNBJF-CQSZACIVSA-N 1 0 300.377 4.269 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC001559983475 1059788308 /nfs/dbraw/zinc/78/83/08/1059788308.db2.gz SDSGORAZZBYMTQ-HNNXBMFYSA-N 1 0 312.413 4.138 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001559983058 1059788666 /nfs/dbraw/zinc/78/86/66/1059788666.db2.gz FPXCQRXIJFNHTN-DLBZAZTESA-N 1 0 322.452 4.455 20 30 DIEDRO CC(C)(C)[N@H+](CCOc1cccc(C#N)c1)Cc1ccsc1 ZINC001559989039 1059792318 /nfs/dbraw/zinc/79/23/18/1059792318.db2.gz CKDGDXJUXMBQBC-UHFFFAOYSA-N 1 0 314.454 4.299 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001559994126 1059801000 /nfs/dbraw/zinc/80/10/00/1059801000.db2.gz USUREUCQWVSXJX-GVDBMIGSSA-N 1 0 322.493 4.110 20 30 DIEDRO CC1(C)CCC(C)(C)[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001560012131 1059817992 /nfs/dbraw/zinc/81/79/92/1059817992.db2.gz NQYGKZUMMPFMDI-UHFFFAOYSA-N 1 0 300.446 4.228 20 30 DIEDRO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC001560027318 1059840929 /nfs/dbraw/zinc/84/09/29/1059840929.db2.gz ZFFFAVXIEGWYLT-INIZCTEOSA-N 1 0 308.425 4.066 20 30 DIEDRO Cc1ccccc1[C@H](C)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC001560039800 1059849143 /nfs/dbraw/zinc/84/91/43/1059849143.db2.gz VZUWXWGUDIUGTK-KRWDZBQOSA-N 1 0 308.425 4.329 20 30 DIEDRO C=CCCC[N@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001560043240 1059858522 /nfs/dbraw/zinc/85/85/22/1059858522.db2.gz RTMCYLNDUJCODA-OAQYLSRUSA-N 1 0 321.464 4.353 20 30 DIEDRO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)ccc1N1CCCCC1 ZINC001560060164 1059871883 /nfs/dbraw/zinc/87/18/83/1059871883.db2.gz GYMFAAUDPBODSR-ICSRJNTNSA-N 1 0 311.473 4.109 20 30 DIEDRO C=CCC1([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CCCCC1 ZINC001560070483 1059882524 /nfs/dbraw/zinc/88/25/24/1059882524.db2.gz ZZOMZAKJNVIPER-UHFFFAOYSA-N 1 0 322.399 4.162 20 30 DIEDRO Fc1ccc(C#CC[NH+]2CCC(c3ccc(F)cc3)CC2)cc1 ZINC001560076604 1059886539 /nfs/dbraw/zinc/88/65/39/1059886539.db2.gz 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CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001248751894 1059964165 /nfs/dbraw/zinc/96/41/65/1059964165.db2.gz OIZRCKRDAINTGA-LJQANCHMSA-N 1 0 308.400 4.249 20 30 DIEDRO C#CC[N@@H+](C[C@H](OC)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001560171667 1059965351 /nfs/dbraw/zinc/96/53/51/1059965351.db2.gz BGRNFKSAXKZSCM-YADHBBJMSA-N 1 0 319.448 4.387 20 30 DIEDRO CC(C)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001560183075 1059970260 /nfs/dbraw/zinc/97/02/60/1059970260.db2.gz KMSIFAWQRVWZPP-OAQYLSRUSA-N 1 0 320.436 4.255 20 30 DIEDRO N#Cc1ccc([C@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)cc1 ZINC001560182000 1059972746 /nfs/dbraw/zinc/97/27/46/1059972746.db2.gz BKDAHDCRQUVYFN-LEWJYISDSA-N 1 0 318.420 4.009 20 30 DIEDRO Cc1cccnc1[C@@H]([NH2+]CCc1ccc(C#N)cc1)C(C)(C)C ZINC001560208572 1059990424 /nfs/dbraw/zinc/99/04/24/1059990424.db2.gz HUQPRGICFDJMNY-LJQANCHMSA-N 1 0 307.441 4.181 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)C1 ZINC001560249461 1060016958 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CC(C)(C)[N@H+](Cc1cnn2ccc(C#N)cc12)Cc1ccccc1 ZINC001249082059 1060148805 /nfs/dbraw/zinc/14/88/05/1060148805.db2.gz FZVCMXVGKVHBTQ-UHFFFAOYSA-N 1 0 318.424 4.007 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC001560396118 1060180225 /nfs/dbraw/zinc/18/02/25/1060180225.db2.gz NBMFZMRLVLOGMS-UKRRQHHQSA-N 1 0 313.363 4.462 20 30 DIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC001560394579 1060181107 /nfs/dbraw/zinc/18/11/07/1060181107.db2.gz DXYPIQDBLSNGLH-CQSZACIVSA-N 1 0 313.397 4.160 20 30 DIEDRO C=CCC[C@@H]([NH2+]Cc1cc(-c2ccccn2)n[nH]1)c1ccccc1 ZINC001560405608 1060190283 /nfs/dbraw/zinc/19/02/83/1060190283.db2.gz IXJPQIVXNQZXTF-GOSISDBHSA-N 1 0 318.424 4.269 20 30 DIEDRO CC[C@@H](CSc1ccccc1)[NH2+]Cc1csc(C#N)c1 ZINC001560409646 1060195640 /nfs/dbraw/zinc/19/56/40/1060195640.db2.gz USJRGEVMNAAERR-AWEZNQCLSA-N 1 0 302.468 4.280 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC001560418917 1060204178 /nfs/dbraw/zinc/20/41/78/1060204178.db2.gz CXCXNNHNLDMYGU-SFHVURJKSA-N 1 0 314.432 4.105 20 30 DIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(CC)CC)C2)c1 ZINC001560420593 1060204634 /nfs/dbraw/zinc/20/46/34/1060204634.db2.gz JCPCIAOGGMWAHO-UYAOXDASSA-N 1 0 317.473 4.325 20 30 DIEDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2F)cc1C#N ZINC001560423022 1060207144 /nfs/dbraw/zinc/20/71/44/1060207144.db2.gz QVIYHVKCSFXVFL-LLVKDONJSA-N 1 0 318.779 4.210 20 30 DIEDRO CC[C@H](C)[C@@H]([NH2+]C)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001249358708 1060223704 /nfs/dbraw/zinc/22/37/04/1060223704.db2.gz ICQSIBFUBRYPDF-YVEFUNNKSA-N 1 0 320.396 4.068 20 30 DIEDRO N#CC1(c2ccc(C[NH2+]CCC3Cc4ccccc4C3)cc2)CC1 ZINC001560440288 1060228412 /nfs/dbraw/zinc/22/84/12/1060228412.db2.gz PJHRKCNQZWVSHG-UHFFFAOYSA-N 1 0 316.448 4.136 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC(C)(C)C2)cc1OC ZINC001560442345 1060231315 /nfs/dbraw/zinc/23/13/15/1060231315.db2.gz OMBSQRKHVHRFIS-INIZCTEOSA-N 1 0 303.446 4.318 20 30 DIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001560444406 1060234957 /nfs/dbraw/zinc/23/49/57/1060234957.db2.gz NWPLPSWLZPOFQO-FPOVZHCZSA-N 1 0 319.448 4.200 20 30 DIEDRO C=CCCCC[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC001560448672 1060238175 /nfs/dbraw/zinc/23/81/75/1060238175.db2.gz LVVMFICIZCARRY-UHFFFAOYSA-N 1 0 317.864 4.339 20 30 DIEDRO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)[C@H]1CCc2ccccc21 ZINC001249431213 1060246857 /nfs/dbraw/zinc/24/68/57/1060246857.db2.gz YNIOUPLXBQRDGQ-FQEVSTJZSA-N 1 0 301.393 4.159 20 30 DIEDRO N#Cc1ccc2cc(C[N@H+]3CC[C@H](c4ccccc4F)C3)[nH]c2c1 ZINC001249428831 1060247858 /nfs/dbraw/zinc/24/78/58/1060247858.db2.gz CWOMWGGQUMOSOD-INIZCTEOSA-N 1 0 319.383 4.168 20 30 DIEDRO CCSc1ccccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001249437831 1060248612 /nfs/dbraw/zinc/24/86/12/1060248612.db2.gz FZQVFUCEILGNSH-UHFFFAOYSA-N 1 0 308.450 4.229 20 30 DIEDRO N#CCC1(C[NH2+]Cc2cccc(COc3ccccc3)c2)CC1 ZINC001560457931 1060250314 /nfs/dbraw/zinc/25/03/14/1060250314.db2.gz VGIGDVBZJDIAEX-UHFFFAOYSA-N 1 0 306.409 4.049 20 30 DIEDRO CN(C)c1ccc(-c2ccc(C[NH+]3CCC(C#N)CC3)cc2)cc1 ZINC001249441030 1060252978 /nfs/dbraw/zinc/25/29/78/1060252978.db2.gz LJBSBAWVLNULFN-UHFFFAOYSA-N 1 0 319.452 4.155 20 30 DIEDRO C=C(C)C[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC001560471425 1060260674 /nfs/dbraw/zinc/26/06/74/1060260674.db2.gz UFFNHTZSBKWZAF-UHFFFAOYSA-N 1 0 317.864 4.489 20 30 DIEDRO C=CCC1([NH2+]Cc2cc(C(OC)OC)ccc2F)CCCCC1 ZINC001560472267 1060261150 /nfs/dbraw/zinc/26/11/50/1060261150.db2.gz SSLBCJDDSABJDG-UHFFFAOYSA-N 1 0 321.436 4.486 20 30 DIEDRO C=CCC1(C[NH2+]Cc2cc(OCC)c(OC)cc2F)CCCC1 ZINC001560471798 1060261239 /nfs/dbraw/zinc/26/12/39/1060261239.db2.gz WYVRJRYFLHYADG-UHFFFAOYSA-N 1 0 321.436 4.459 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c1 ZINC001560474646 1060263934 /nfs/dbraw/zinc/26/39/34/1060263934.db2.gz XXFKCBOPCANANN-HNNXBMFYSA-N 1 0 314.256 4.315 20 30 DIEDRO N#C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)CC1 ZINC001249503980 1060265140 /nfs/dbraw/zinc/26/51/40/1060265140.db2.gz OKSVAGVEAVZKJL-MRXNPFEDSA-N 1 0 322.408 4.310 20 30 DIEDRO C=CC[NH+](CC=C)Cc1ccc2occ(Br)c2c1 ZINC001249497364 1060265341 /nfs/dbraw/zinc/26/53/41/1060265341.db2.gz OQLFIAKXAOCTAU-UHFFFAOYSA-N 1 0 306.203 4.369 20 30 DIEDRO N#C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)CC1 ZINC001249503979 1060267594 /nfs/dbraw/zinc/26/75/94/1060267594.db2.gz OKSVAGVEAVZKJL-INIZCTEOSA-N 1 0 322.408 4.310 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC001560487210 1060280347 /nfs/dbraw/zinc/28/03/47/1060280347.db2.gz BNGKLUXJFFACNO-JMSVASOKSA-N 1 0 314.256 4.361 20 30 DIEDRO COc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1C(C)(C)C ZINC001560492929 1060288448 /nfs/dbraw/zinc/28/84/48/1060288448.db2.gz LUFTXKHTGSQKCG-UHFFFAOYSA-N 1 0 302.462 4.412 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccccc2OC2CCCC2)c1 ZINC001560503876 1060298536 /nfs/dbraw/zinc/29/85/36/1060298536.db2.gz YAJXAJIYELBCLX-UHFFFAOYSA-N 1 0 305.421 4.279 20 30 DIEDRO C#CCCOc1ccc(C[NH2+][C@H](CC=C)Cc2ccccc2)cc1 ZINC001560502714 1060299038 /nfs/dbraw/zinc/29/90/38/1060299038.db2.gz NYKMAIICMHUVFP-OAQYLSRUSA-N 1 0 319.448 4.366 20 30 DIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@H]1CCC[C@H](C)C1 ZINC001560506934 1060303197 /nfs/dbraw/zinc/30/31/97/1060303197.db2.gz VYUFVBRMSYNAFO-LNLFQRSKSA-N 1 0 313.489 4.341 20 30 DIEDRO C=C[C@@H](CC)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001534590279 1060311616 /nfs/dbraw/zinc/31/16/16/1060311616.db2.gz WAYCMOSRNSWHIO-KRWDZBQOSA-N 1 0 314.473 4.256 20 30 DIEDRO C=CCC(C)(C)CNC(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC001526762426 1060326631 /nfs/dbraw/zinc/32/66/31/1060326631.db2.gz HXSXXTPGPPETHE-UHFFFAOYSA-N 1 0 316.489 4.251 20 30 DIEDRO C=CCOCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001560543106 1060349208 /nfs/dbraw/zinc/34/92/08/1060349208.db2.gz DVQLHVRMYJUWLW-UHFFFAOYSA-N 1 0 319.351 4.049 20 30 DIEDRO C=CC(C)(C)CC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001560543038 1060350369 /nfs/dbraw/zinc/35/03/69/1060350369.db2.gz BHEPXSSMRYGYCS-UHFFFAOYSA-N 1 0 303.837 4.422 20 30 DIEDRO C=CCC(CC=C)C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001534729192 1060354186 /nfs/dbraw/zinc/35/41/86/1060354186.db2.gz FTAIDNAEQKZITH-UHFFFAOYSA-N 1 0 318.505 4.012 20 30 DIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC001560547344 1060358030 /nfs/dbraw/zinc/35/80/30/1060358030.db2.gz DGEPFGVBNVMAPC-OALUTQOASA-N 1 0 305.462 4.039 20 30 DIEDRO Cc1cc(C)c(/C=C/C[NH2+]Cc2cc(C#N)ccc2F)cc1C ZINC001560589786 1060402618 /nfs/dbraw/zinc/40/26/18/1060402618.db2.gz BIOKGWVUYKTJSZ-SNAWJCMRSA-N 1 0 308.400 4.426 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC001560602047 1060415814 /nfs/dbraw/zinc/41/58/14/1060415814.db2.gz YPHCSIMYUFFLNB-CQSZACIVSA-N 1 0 303.833 4.164 20 30 DIEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](Cc1ccccc1)c1ccccn1 ZINC001560621885 1060435229 /nfs/dbraw/zinc/43/52/29/1060435229.db2.gz CHPJBPFVZICRSI-LJQANCHMSA-N 1 0 321.468 4.327 20 30 DIEDRO CCCCCCCC[C@H](C)C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC001527120061 1060441094 /nfs/dbraw/zinc/44/10/94/1060441094.db2.gz VMBHNMWCONNBCY-BSDSXHPESA-N 1 0 310.526 4.313 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C(C)C)CC1 ZINC001560631263 1060441889 /nfs/dbraw/zinc/44/18/89/1060441889.db2.gz CKDTUDKKZGOKLG-UHFFFAOYSA-N 1 0 305.849 4.220 20 30 DIEDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001560634951 1060448421 /nfs/dbraw/zinc/44/84/21/1060448421.db2.gz NOQWNJWFDXWALW-GOSISDBHSA-N 1 0 314.498 4.349 20 30 DIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)c1 ZINC001560646217 1060470359 /nfs/dbraw/zinc/47/03/59/1060470359.db2.gz TWFXPKIEUDRWAN-FQEVSTJZSA-N 1 0 320.436 4.082 20 30 DIEDRO C#CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001560657183 1060480091 /nfs/dbraw/zinc/48/00/91/1060480091.db2.gz FFBOWDIEIOGSIK-SSZFMOIBSA-N 1 0 312.413 4.266 20 30 DIEDRO CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2cccc(C#N)n2)o1 ZINC001560656871 1060481278 /nfs/dbraw/zinc/48/12/78/1060481278.db2.gz SVHRNTIQFYUSBR-GOSISDBHSA-N 1 0 309.413 4.226 20 30 DIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2csc(C#N)c2)C12CCCCC2 ZINC001560668214 1060495935 /nfs/dbraw/zinc/49/59/35/1060495935.db2.gz DQOYXEYXXBSFNY-SJORKVTESA-N 1 0 318.486 4.179 20 30 DIEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccccc1Br ZINC001560671481 1060500861 /nfs/dbraw/zinc/50/08/61/1060500861.db2.gz GFRHPIKWEUTYQW-STQMWFEESA-N 1 0 309.251 4.382 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC001560674606 1060506192 /nfs/dbraw/zinc/50/61/92/1060506192.db2.gz GFDKPSOGYMDPFH-HXUWFJFHSA-N 1 0 311.473 4.169 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC001560685500 1060530628 /nfs/dbraw/zinc/53/06/28/1060530628.db2.gz SAEUFKVWSBWMDF-LJQANCHMSA-N 1 0 303.446 4.033 20 30 DIEDRO C=CCCCCC[N@@H+](C)Cc1cn(-c2ccccc2F)nc1C ZINC001560684944 1060532165 /nfs/dbraw/zinc/53/21/65/1060532165.db2.gz GDJUHFMEUYWDOB-UHFFFAOYSA-N 1 0 315.436 4.498 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1OC ZINC001560687248 1060532297 /nfs/dbraw/zinc/53/22/97/1060532297.db2.gz IXOTXVAIRQKHBK-CHWSQXEVSA-N 1 0 309.837 4.001 20 30 DIEDRO CCCn1cc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC001560685174 1060532401 /nfs/dbraw/zinc/53/24/01/1060532401.db2.gz MFRVGHISGPZBKE-INIZCTEOSA-N 1 0 310.445 4.056 20 30 DIEDRO CCCn1cc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c(C)n1 ZINC001560685175 1060534599 /nfs/dbraw/zinc/53/45/99/1060534599.db2.gz MFRVGHISGPZBKE-MRXNPFEDSA-N 1 0 310.445 4.056 20 30 DIEDRO Cc1cc(C[N@H+](CCc2ccc(F)cc2)C2CC2)ccc1C#N ZINC001560701182 1060559411 /nfs/dbraw/zinc/55/94/11/1060559411.db2.gz FJQUPGVKXMKQQL-UHFFFAOYSA-N 1 0 308.400 4.213 20 30 DIEDRO C(#Cc1ccccc1)C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001560709029 1060566307 /nfs/dbraw/zinc/56/63/07/1060566307.db2.gz XZNBXOZCMXGPKK-UHFFFAOYSA-N 1 0 312.416 4.309 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001560742138 1060608849 /nfs/dbraw/zinc/60/88/49/1060608849.db2.gz SXGUHYBFPBKWLM-SJORKVTESA-N 1 0 306.494 4.035 20 30 DIEDRO C#C[C@H](C)[N@H+](C)C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001560792998 1060651497 /nfs/dbraw/zinc/65/14/97/1060651497.db2.gz BOYKILTYMANAAU-YFWYWMRJSA-N 1 0 305.421 4.232 20 30 DIEDRO C=CC[C@@H]1[N@H+](Cc2ccc(N(C)C(C)C)nc2)CCCC1(C)C ZINC001560793144 1060654504 /nfs/dbraw/zinc/65/45/04/1060654504.db2.gz GVHHTVZVYZUYGA-SFHVURJKSA-N 1 0 315.505 4.493 20 30 DIEDRO COc1cc(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)ccc1C#N ZINC001560812858 1060672074 /nfs/dbraw/zinc/67/20/74/1060672074.db2.gz GPQDDNKWFTYEJG-PZJWPPBQSA-N 1 0 320.436 4.167 20 30 DIEDRO C=CCCCCCC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC001560821207 1060678983 /nfs/dbraw/zinc/67/89/83/1060678983.db2.gz OJBUQVWDPDTHQA-GOSISDBHSA-N 1 0 316.489 4.138 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001560827335 1060686741 /nfs/dbraw/zinc/68/67/41/1060686741.db2.gz MCFHOBIBZAVNRF-ROUUACIJSA-N 1 0 323.525 4.005 20 30 DIEDRO N#CC1(c2ccc(C[NH+]3CC(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001560837450 1060695812 /nfs/dbraw/zinc/69/58/12/1060695812.db2.gz RQJUNGUAUGFUEU-UHFFFAOYSA-N 1 0 322.839 4.495 20 30 DIEDRO C#C[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC001560865010 1060724384 /nfs/dbraw/zinc/72/43/84/1060724384.db2.gz NVPFWTDUJKHBDR-KRWDZBQOSA-N 1 0 305.755 4.125 20 30 DIEDRO C[C@H](CC1CCCCC1)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC001560876303 1060735508 /nfs/dbraw/zinc/73/55/08/1060735508.db2.gz DVWANEJQYXANRU-MRXNPFEDSA-N 1 0 312.457 4.228 20 30 DIEDRO CC(C)[C@H]1[N@H+](Cc2ccc(C#N)c(F)c2)CC12CCCCC2 ZINC001560878365 1060739201 /nfs/dbraw/zinc/73/92/01/1060739201.db2.gz UAQWELWBTRXPEZ-GOSISDBHSA-N 1 0 300.421 4.488 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(C)c(Br)c2C)C1 ZINC001560901202 1060764486 /nfs/dbraw/zinc/76/44/86/1060764486.db2.gz NPIISTVPMJUIPJ-HNNXBMFYSA-N 1 0 320.274 4.301 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001560902652 1060764887 /nfs/dbraw/zinc/76/48/87/1060764887.db2.gz GVSUXLBKIUQEBC-ARFHVFGLSA-N 1 0 312.498 4.403 20 30 DIEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(CC#N)cc1 ZINC001560903977 1060766933 /nfs/dbraw/zinc/76/69/33/1060766933.db2.gz JUGSRPPMVCNQJZ-CQSZACIVSA-N 1 0 314.379 4.142 20 30 DIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001560925477 1060790494 /nfs/dbraw/zinc/79/04/94/1060790494.db2.gz LTOPMTSBEVDWJK-UHFFFAOYSA-N 1 0 313.489 4.272 20 30 DIEDRO C=CCCC1(C[NH2+]C[C@H]2C[C@]2(C)Br)CCCC1 ZINC001560928768 1060792417 /nfs/dbraw/zinc/79/24/17/1060792417.db2.gz BPTGZJMPKOTKOA-KGLIPLIRSA-N 1 0 300.284 4.276 20 30 DIEDRO N#CC1(C[NH2+]CCCCCOc2ccccc2)CCCCC1 ZINC001560934865 1060797295 /nfs/dbraw/zinc/79/72/95/1060797295.db2.gz BVZODKVWEJKSFA-UHFFFAOYSA-N 1 0 300.446 4.299 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH+]2CC(C)(c3ccccc3)C2)cc1 ZINC001560942435 1060808358 /nfs/dbraw/zinc/80/83/58/1060808358.db2.gz PGQUMKSOFIVPHF-UHFFFAOYSA-N 1 0 304.437 4.261 20 30 DIEDRO Cc1cc(Br)c2c(c1)CC[N@@H+](C[C@@H](C)CCC#N)C2 ZINC001560966708 1060829121 /nfs/dbraw/zinc/82/91/21/1060829121.db2.gz JGKFRHUDDIEKDU-LBPRGKRZSA-N 1 0 321.262 4.056 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCCc2cc(OC)c(OC)cc21 ZINC001560985865 1060850253 /nfs/dbraw/zinc/85/02/53/1060850253.db2.gz OKDMECGCGXEQRD-YOEHRIQHSA-N 1 0 303.446 4.416 20 30 DIEDRO C=CCCC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)OC)C1)c1ccccc1 ZINC001560986930 1060852271 /nfs/dbraw/zinc/85/22/71/1060852271.db2.gz NEPLZGVAJURBGY-SQNIBIBYSA-N 1 0 301.430 4.015 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H](C)CCCC(C)(C)C(=O)OCC)CC1 ZINC001561000994 1060861929 /nfs/dbraw/zinc/86/19/29/1060861929.db2.gz GZNLQJYXYXHXLM-INIZCTEOSA-N 1 0 309.494 4.471 20 30 DIEDRO C=CCC[C@@H](CC)[NH2+]C1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001561014424 1060872725 /nfs/dbraw/zinc/87/27/25/1060872725.db2.gz RVRAYYFSRBWJSW-CQSZACIVSA-N 1 0 312.379 4.228 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]CC1(C)CCC2(CC1)OCCO2 ZINC001561033423 1060886102 /nfs/dbraw/zinc/88/61/02/1060886102.db2.gz NMETUUMMQIBFRP-KRWDZBQOSA-N 1 0 309.494 4.424 20 30 DIEDRO C#CC[N@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C(C)C ZINC001561032587 1060886953 /nfs/dbraw/zinc/88/69/53/1060886953.db2.gz JKDIMDVBBSRAAD-MRXNPFEDSA-N 1 0 324.509 4.050 20 30 DIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001561047710 1060898696 /nfs/dbraw/zinc/89/86/96/1060898696.db2.gz XRRKVYKTPNRRTQ-BZUAXINKSA-N 1 0 310.482 4.157 20 30 DIEDRO CC(C)c1ccc(O)c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC001462144145 1060964767 /nfs/dbraw/zinc/96/47/67/1060964767.db2.gz KVPAOQBOBXHXDN-UHFFFAOYSA-N 1 0 314.816 4.330 20 30 DIEDRO CC[C@@H](C)C[N@H+](CC)Cc1cc(C#N)ccc1Br ZINC001473204770 1060969611 /nfs/dbraw/zinc/96/96/11/1060969611.db2.gz ZJGWXOUSIQLMED-GFCCVEGCSA-N 1 0 309.251 4.189 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC001462154126 1060976107 /nfs/dbraw/zinc/97/61/07/1060976107.db2.gz RGBAGWKTZFSHDQ-AZUAARDMSA-N 1 0 324.468 4.314 20 30 DIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001462161803 1060983263 /nfs/dbraw/zinc/98/32/63/1060983263.db2.gz ICXJYFFZVDBEIT-CYBMUJFWSA-N 1 0 300.368 4.216 20 30 DIEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001473253038 1061031282 /nfs/dbraw/zinc/03/12/82/1061031282.db2.gz AZTNAEQGAIHNBT-SFHVURJKSA-N 1 0 300.446 4.380 20 30 DIEDRO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC001473259691 1061034460 /nfs/dbraw/zinc/03/44/60/1061034460.db2.gz LKGYICDZEGTEHV-HOTGVXAUSA-N 1 0 306.475 4.035 20 30 DIEDRO C#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC001462223297 1061039839 /nfs/dbraw/zinc/03/98/39/1061039839.db2.gz YPVNEWZIUZPJKE-VSKRKVRLSA-N 1 0 301.433 4.436 20 30 DIEDRO N#Cc1ccc(OCCC[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC001473271489 1061044031 /nfs/dbraw/zinc/04/40/31/1061044031.db2.gz BZWVZXGYOLEICO-NRFANRHFSA-N 1 0 320.436 4.458 20 30 DIEDRO C=CCC1(C[NH2+]Cc2ccc(Br)cc2O)CCCC1 ZINC001462231469 1061044230 /nfs/dbraw/zinc/04/42/30/1061044230.db2.gz LWWPRFJQWFQUFN-UHFFFAOYSA-N 1 0 324.262 4.381 20 30 DIEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC001473274314 1061048274 /nfs/dbraw/zinc/04/82/74/1061048274.db2.gz UWBJXGQDADLSOA-ZWKOTPCHSA-N 1 0 300.446 4.132 20 30 DIEDRO C#CC[N@@H+](Cc1c(OC(C)C)ccc2ccccc21)CC1CC1 ZINC001473286586 1061058037 /nfs/dbraw/zinc/05/80/37/1061058037.db2.gz FIBVYEZUHAECKS-UHFFFAOYSA-N 1 0 307.437 4.472 20 30 DIEDRO N#Cc1cncc(C[N@@H+](Cc2ccccc2F)C2CCCCC2)c1 ZINC001473287543 1061058984 /nfs/dbraw/zinc/05/89/84/1061058984.db2.gz UVRHKDMNUFKIPE-UHFFFAOYSA-N 1 0 323.415 4.427 20 30 DIEDRO N#CCC1(C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 ZINC001473290206 1061062446 /nfs/dbraw/zinc/06/24/46/1061062446.db2.gz XIFCADPLZGYWAR-HXUWFJFHSA-N 1 0 302.421 4.480 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCc2ccc(C#N)cc2)c1 ZINC001473306725 1061071658 /nfs/dbraw/zinc/07/16/58/1061071658.db2.gz WVRDUPUGMFDNHV-IERDGZPVSA-N 1 0 320.436 4.192 20 30 DIEDRO N#Cc1ccc(C[N@H+](C[C@@H]2CCCC23CCOCC3)C2CC2)cc1 ZINC001473305421 1061072577 /nfs/dbraw/zinc/07/25/77/1061072577.db2.gz YBUNLZZNMWRLES-IBGZPJMESA-N 1 0 324.468 4.120 20 30 DIEDRO C#C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccc(Br)cc1 ZINC001462280198 1061074801 /nfs/dbraw/zinc/07/48/01/1061074801.db2.gz QBRBFHCPPUBWEO-MRXNPFEDSA-N 1 0 318.258 4.436 20 30 DIEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2)c1ccc(F)cc1 ZINC001462282409 1061075893 /nfs/dbraw/zinc/07/58/93/1061075893.db2.gz XHACNZWHBLCVRA-IPMKNSEASA-N 1 0 315.432 4.218 20 30 DIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOc2ccc(Cl)c(Cl)c2)C1 ZINC001462285260 1061077935 /nfs/dbraw/zinc/07/79/35/1061077935.db2.gz UMYNWTYJRWHOMY-RYUDHWBXSA-N 1 0 313.228 4.044 20 30 DIEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cc(Cl)ccc1OC(F)F ZINC001473316772 1061081129 /nfs/dbraw/zinc/08/11/29/1061081129.db2.gz XAMKXBWBACDGMP-NHCYSSNCSA-N 1 0 314.763 4.284 20 30 DIEDRO CCC(CC)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1cccs1 ZINC001473320831 1061086275 /nfs/dbraw/zinc/08/62/75/1061086275.db2.gz DUDJFHFQGDNAIV-RDJZCZTQSA-N 1 0 320.502 4.260 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1)C(C)(C)C ZINC001462295381 1061086888 /nfs/dbraw/zinc/08/68/88/1061086888.db2.gz KPVCFARXXIYJOV-CJNGLKHVSA-N 1 0 320.864 4.003 20 30 DIEDRO C#C[C@H]([NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)C(C)(C)C ZINC001462297996 1061089663 /nfs/dbraw/zinc/08/96/63/1061089663.db2.gz PXRHKYMYQLMUHQ-HNNXBMFYSA-N 1 0 313.272 4.197 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](COc1c(C)cccc1C)C(C)(C)C ZINC001473336029 1061093886 /nfs/dbraw/zinc/09/38/86/1061093886.db2.gz QGEQJQPGPOALGU-ROUUACIJSA-N 1 0 319.489 4.014 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@H](COc1c(C)cccc1C)C(C)(C)C ZINC001473336030 1061095223 /nfs/dbraw/zinc/09/52/23/1061095223.db2.gz QGEQJQPGPOALGU-ZWKOTPCHSA-N 1 0 319.489 4.014 20 30 DIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(C)c(C#N)c2)cc1 ZINC001473341464 1061099678 /nfs/dbraw/zinc/09/96/78/1061099678.db2.gz BBLRRBQIPXTBJH-MRXNPFEDSA-N 1 0 322.452 4.186 20 30 DIEDRO CC1(C)CCC(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC001473348080 1061101443 /nfs/dbraw/zinc/10/14/43/1061101443.db2.gz NPZFPTQESMDTCF-IBGZPJMESA-N 1 0 312.457 4.148 20 30 DIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001473390910 1061132174 /nfs/dbraw/zinc/13/21/74/1061132174.db2.gz IJEVQXHNTRJSCN-UYAOXDASSA-N 1 0 320.436 4.068 20 30 DIEDRO C=C(C)[C@H]([NH2+]CCOCc1ccccc1)c1ccc(F)c(F)c1 ZINC001473399813 1061137686 /nfs/dbraw/zinc/13/76/86/1061137686.db2.gz CFTXCFLIBSUYSG-IBGZPJMESA-N 1 0 317.379 4.388 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC001462396755 1061147962 /nfs/dbraw/zinc/14/79/62/1061147962.db2.gz QFYPTIJHCQYEDA-YLJYHZDGSA-N 1 0 303.490 4.202 20 30 DIEDRO CCCCCCCC[NH2+][C@@H](C)C1CCN(C(=O)OCC)CC1 ZINC001473413195 1061148485 /nfs/dbraw/zinc/14/84/85/1061148485.db2.gz XLZLGTWAYSBTJD-INIZCTEOSA-N 1 0 312.498 4.194 20 30 DIEDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001462418746 1061162908 /nfs/dbraw/zinc/16/29/08/1061162908.db2.gz AKXVDZSGDKMTGH-MWXLCCTBSA-N 1 0 322.427 4.360 20 30 DIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)[C@H](C)[C@@H]1OC ZINC001473446743 1061163347 /nfs/dbraw/zinc/16/33/47/1061163347.db2.gz GTBHYQYTJVYIDV-JFTQMJAMSA-N 1 0 300.446 4.049 20 30 DIEDRO CCCCCCCC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001473444825 1061163355 /nfs/dbraw/zinc/16/33/55/1061163355.db2.gz OWSMNXVYKXTSNN-MRXNPFEDSA-N 1 0 308.441 4.424 20 30 DIEDRO C=CCC[C@@H](O)C[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001473446359 1061163594 /nfs/dbraw/zinc/16/35/94/1061163594.db2.gz KXRHTAZQMWHZHO-QGZVFWFLSA-N 1 0 307.865 4.021 20 30 DIEDRO C=CCOCCC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC001462440870 1061175878 /nfs/dbraw/zinc/17/58/78/1061175878.db2.gz MHWUYOGWOYNUMW-AWEZNQCLSA-N 1 0 315.379 4.209 20 30 DIEDRO C=C(C)[C@@H](CO)[NH+]1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001473489207 1061187816 /nfs/dbraw/zinc/18/78/16/1061187816.db2.gz YZQMVGGKCHWACR-LJQANCHMSA-N 1 0 301.474 4.101 20 30 DIEDRO Cc1cc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)ccc1F ZINC001473495755 1061190696 /nfs/dbraw/zinc/19/06/96/1061190696.db2.gz XMAYSNUXZQPVED-OAHLLOKOSA-N 1 0 312.388 4.126 20 30 DIEDRO CCCCCCC[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC001473500060 1061192696 /nfs/dbraw/zinc/19/26/96/1061192696.db2.gz QLJIYLDHSJKEEI-FQEVSTJZSA-N 1 0 319.489 4.411 20 30 DIEDRO C=C(C)CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC001473498253 1061194281 /nfs/dbraw/zinc/19/42/81/1061194281.db2.gz MZWNJHLRUZDPMN-BBRMVZONSA-N 1 0 313.363 4.433 20 30 DIEDRO CCc1ccc([C@H]2CC[N@H+](Cc3ccc(CC#N)cc3)C2)cc1 ZINC001473508586 1061199744 /nfs/dbraw/zinc/19/97/44/1061199744.db2.gz INBSTRDJCKSAGZ-NRFANRHFSA-N 1 0 304.437 4.305 20 30 DIEDRO C[C@@H](CCC#N)C[NH2+]CCc1ccccc1OCc1ccccc1 ZINC001462492079 1061210278 /nfs/dbraw/zinc/21/02/78/1061210278.db2.gz VKJMBMQUGZLMPF-SFHVURJKSA-N 1 0 322.452 4.338 20 30 DIEDRO CCCC[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC001473524664 1061220812 /nfs/dbraw/zinc/22/08/12/1061220812.db2.gz VFQGXVIWGOTFRS-GFCCVEGCSA-N 1 0 309.251 4.331 20 30 DIEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC001462521096 1061227703 /nfs/dbraw/zinc/22/77/03/1061227703.db2.gz OCGGKAUXDXEVDG-VSKRKVRLSA-N 1 0 316.448 4.125 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1c(Cl)oc3ccccc31)C2 ZINC001462522674 1061231439 /nfs/dbraw/zinc/23/14/39/1061231439.db2.gz YPPOUMCTOHQDGB-HNNXBMFYSA-N 1 0 322.795 4.215 20 30 DIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001473564127 1061248537 /nfs/dbraw/zinc/24/85/37/1061248537.db2.gz JIIFUBZVSWEWFS-DLBZAZTESA-N 1 0 300.446 4.213 20 30 DIEDRO C=CCCC[C@H]([NH2+]Cc1cnc(OC)s1)c1ccccc1 ZINC001462546004 1061250652 /nfs/dbraw/zinc/25/06/52/1061250652.db2.gz CNTKCIQCLJKSKW-INIZCTEOSA-N 1 0 302.443 4.339 20 30 DIEDRO C=CCCCC[C@H](C)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC001462556992 1061260090 /nfs/dbraw/zinc/26/00/90/1061260090.db2.gz NHRQIZNVDZVWSX-AWEZNQCLSA-N 1 0 301.459 4.430 20 30 DIEDRO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001473575585 1061262278 /nfs/dbraw/zinc/26/22/78/1061262278.db2.gz BJYSGJYTMCKKLP-OAQYLSRUSA-N 1 0 322.427 4.337 20 30 DIEDRO C=C1CCC(C[NH2+][C@@H]2CC[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC001462568810 1061268478 /nfs/dbraw/zinc/26/84/78/1061268478.db2.gz XBNZYSZYJCHVQY-WIYYLYMNSA-N 1 0 312.501 4.376 20 30 DIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1 ZINC001462576518 1061273623 /nfs/dbraw/zinc/27/36/23/1061273623.db2.gz FCOIOZYRZOZEOP-CVEARBPZSA-N 1 0 308.425 4.157 20 30 DIEDRO Cc1cc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)ccc1C#N ZINC001462576736 1061273864 /nfs/dbraw/zinc/27/38/64/1061273864.db2.gz FWJJBCGDIVKMDI-MRXNPFEDSA-N 1 0 312.363 4.134 20 30 DIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C2CCCCC2)CC1 ZINC001473618843 1061294281 /nfs/dbraw/zinc/29/42/81/1061294281.db2.gz VRTLHCISFNKTSH-UHFFFAOYSA-N 1 0 312.457 4.359 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC001473627418 1061298039 /nfs/dbraw/zinc/29/80/39/1061298039.db2.gz JWDKSYBLJSRHCX-LLVKDONJSA-N 1 0 300.265 4.299 20 30 DIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cc1 ZINC001462620158 1061302904 /nfs/dbraw/zinc/30/29/04/1061302904.db2.gz WJXOFIJMRCOZDW-GZMOKQHVSA-N 1 0 306.453 4.132 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC001473628056 1061302743 /nfs/dbraw/zinc/30/27/43/1061302743.db2.gz ZALQPGWDGSGRHK-GJZGRUSLSA-N 1 0 320.864 4.264 20 30 DIEDRO C#CCCCCCC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC001473657971 1061322266 /nfs/dbraw/zinc/32/22/66/1061322266.db2.gz CPXSYXBIQNNLDT-OAHLLOKOSA-N 1 0 314.256 4.200 20 30 DIEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC(C)(C)CC(C)(C)C1 ZINC001473628811 1061305010 /nfs/dbraw/zinc/30/50/10/1061305010.db2.gz HFFZQUQJJRHKFV-SFHVURJKSA-N 1 0 314.473 4.128 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001473635208 1061307396 /nfs/dbraw/zinc/30/73/96/1061307396.db2.gz HUQRQCYOCGARSI-INIZCTEOSA-N 1 0 304.437 4.455 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1c(C)nc2scc(C3CC3)n12 ZINC001462631680 1061308288 /nfs/dbraw/zinc/30/82/88/1061308288.db2.gz AVLIZCHPMFUZBH-UHFFFAOYSA-N 1 0 303.475 4.370 20 30 DIEDRO CC(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)CC2(C#N)CCC2)cc1 ZINC001473638545 1061310601 /nfs/dbraw/zinc/31/06/01/1061310601.db2.gz FSUJNILEEWWFRR-GOSISDBHSA-N 1 0 314.473 4.080 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001473657954 1061321211 /nfs/dbraw/zinc/32/12/11/1061321211.db2.gz CDQIZYKCMUJVKC-LJQANCHMSA-N 1 0 320.436 4.141 20 30 DIEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC001473671331 1061334294 /nfs/dbraw/zinc/33/42/94/1061334294.db2.gz XQIPHCTUWPZIEE-QGZVFWFLSA-N 1 0 312.363 4.216 20 30 DIEDRO C=CCCCCC[N@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001473676123 1061338228 /nfs/dbraw/zinc/33/82/28/1061338228.db2.gz KOVABPCZFVQMDA-APWZRJJASA-N 1 0 322.493 4.112 20 30 DIEDRO C/C=C/C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473687647 1061347432 /nfs/dbraw/zinc/34/74/32/1061347432.db2.gz HTRMKUKUSMKFQU-HSWBROFVSA-N 1 0 320.383 4.338 20 30 DIEDRO C=CCC1([NH2+]CCC(=O)Nc2ccc(C)c(F)c2)CCCCC1 ZINC001473719105 1061367871 /nfs/dbraw/zinc/36/78/71/1061367871.db2.gz ACGHHRBSFKVZAS-UHFFFAOYSA-N 1 0 318.436 4.331 20 30 DIEDRO C=CCC1([NH2+]CC(=O)NCCCC2CCCCC2)CCCCC1 ZINC001473719709 1061370326 /nfs/dbraw/zinc/37/03/26/1061370326.db2.gz NLEPITMGUONMCL-UHFFFAOYSA-N 1 0 320.521 4.332 20 30 DIEDRO C[C@H]1c2sccc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001473763392 1061398200 /nfs/dbraw/zinc/39/82/00/1061398200.db2.gz YXFGXCBLHUYPFB-AWEZNQCLSA-N 1 0 312.438 4.008 20 30 DIEDRO Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)cc1C#N ZINC001473773059 1061401790 /nfs/dbraw/zinc/40/17/90/1061401790.db2.gz PFNHFAZHUFQUHS-QGZVFWFLSA-N 1 0 322.456 4.093 20 30 DIEDRO COCC1([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CCC1 ZINC001473777261 1061403658 /nfs/dbraw/zinc/40/36/58/1061403658.db2.gz KPGUTOHELBBTMK-UHFFFAOYSA-N 1 0 320.436 4.226 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001473801343 1061413503 /nfs/dbraw/zinc/41/35/03/1061413503.db2.gz GDFSVQVXPGDGCB-RCBQFDQVSA-N 1 0 308.347 4.284 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC001473805985 1061417327 /nfs/dbraw/zinc/41/73/27/1061417327.db2.gz KQVGJBDHQKPOLD-PKOBYXMFSA-N 1 0 324.509 4.338 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC001473805984 1061418046 /nfs/dbraw/zinc/41/80/46/1061418046.db2.gz KQVGJBDHQKPOLD-MJGOQNOKSA-N 1 0 324.509 4.338 20 30 DIEDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C#N)c2)cc1C ZINC001473843311 1061432452 /nfs/dbraw/zinc/43/24/52/1061432452.db2.gz WCBUBSQYBFEGCE-CYBMUJFWSA-N 1 0 314.816 4.380 20 30 DIEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001473861536 1061436504 /nfs/dbraw/zinc/43/65/04/1061436504.db2.gz AXMVMUVTYLUEDL-LBPRGKRZSA-N 1 0 312.816 4.094 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC001473857609 1061437166 /nfs/dbraw/zinc/43/71/66/1061437166.db2.gz YDCWNKREVPHDJM-QGZVFWFLSA-N 1 0 311.425 4.340 20 30 DIEDRO C=CC[C@H]1CC[N@H+]1CCCc1ccc(Br)cc1OC ZINC001473864938 1061440190 /nfs/dbraw/zinc/44/01/90/1061440190.db2.gz GVUIUNFCVKKQOQ-HNNXBMFYSA-N 1 0 324.262 4.041 20 30 DIEDRO C=CC[C@@H]1CC[N@H+]1CCCc1ccc(Br)cc1OC ZINC001473864939 1061440292 /nfs/dbraw/zinc/44/02/92/1061440292.db2.gz GVUIUNFCVKKQOQ-OAHLLOKOSA-N 1 0 324.262 4.041 20 30 DIEDRO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001473868054 1061442441 /nfs/dbraw/zinc/44/24/41/1061442441.db2.gz GBPSFZIZUWJDSS-FQEVSTJZSA-N 1 0 300.405 4.213 20 30 DIEDRO C=CCCCCC[N@@H+](CC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001473905452 1061455043 /nfs/dbraw/zinc/45/50/43/1061455043.db2.gz IYLZXXMKBLVCRQ-KRWDZBQOSA-N 1 0 324.509 4.454 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)C1 ZINC001473912096 1061460222 /nfs/dbraw/zinc/46/02/22/1061460222.db2.gz ZDGLSYWBHJTMOO-VKJFTORMSA-N 1 0 306.881 4.277 20 30 DIEDRO C[C@H]1CCCC[C@H]1C[NH2+]CCSCc1ccccc1C#N ZINC001473916304 1061462909 /nfs/dbraw/zinc/46/29/09/1061462909.db2.gz UHLTZKZHLBWMPL-RDJZCZTQSA-N 1 0 302.487 4.207 20 30 DIEDRO CCCCCCCCC[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC001473917506 1061465351 /nfs/dbraw/zinc/46/53/51/1061465351.db2.gz BWIAUZLVHINANK-UHFFFAOYSA-N 1 0 305.388 4.279 20 30 DIEDRO CCCCCCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC001473916666 1061465783 /nfs/dbraw/zinc/46/57/83/1061465783.db2.gz JMKQMVBWEYRMAU-UHFFFAOYSA-N 1 0 303.425 4.286 20 30 DIEDRO CC1CCC(C[NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC001473959570 1061500450 /nfs/dbraw/zinc/50/04/50/1061500450.db2.gz VXSRDIVOBAJBMF-UHFFFAOYSA-N 1 0 321.262 4.237 20 30 DIEDRO CCOc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC001473963125 1061504758 /nfs/dbraw/zinc/50/47/58/1061504758.db2.gz JYOKJRYYBIFGKF-ZDUSSCGKSA-N 1 0 314.816 4.461 20 30 DIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC001473989165 1061532623 /nfs/dbraw/zinc/53/26/23/1061532623.db2.gz ULXXWXVPUNLYRX-DZGCQCFKSA-N 1 0 324.262 4.162 20 30 DIEDRO N#Cc1ccc(F)cc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001458045274 1061545688 /nfs/dbraw/zinc/54/56/88/1061545688.db2.gz JRXCBBFRHWLZQW-INIZCTEOSA-N 1 0 315.417 4.008 20 30 DIEDRO C=CCOc1ccccc1C[NH2+]CC1(CCOC)CCCCC1 ZINC001474005955 1061546847 /nfs/dbraw/zinc/54/68/47/1061546847.db2.gz MTJJAAVKXBWVSO-UHFFFAOYSA-N 1 0 317.473 4.328 20 30 DIEDRO C=CCOc1cccc(C[NH2+]Cc2ccccc2OCC=C)c1 ZINC001474005609 1061547959 /nfs/dbraw/zinc/54/79/59/1061547959.db2.gz BSJYOXLRPDYFGL-UHFFFAOYSA-N 1 0 309.409 4.106 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]Cc1c(C)cc(Cl)cc1C ZINC001474007010 1061549946 /nfs/dbraw/zinc/54/99/46/1061549946.db2.gz OTBQPTVKYSLSHH-UHFFFAOYSA-N 1 0 313.828 4.259 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](CC)C2)cc1OC ZINC001474013574 1061554293 /nfs/dbraw/zinc/55/42/93/1061554293.db2.gz ODZSDFJIZXYPEN-NVXWUHKLSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H](CC)C2)cc1OC ZINC001474013575 1061554965 /nfs/dbraw/zinc/55/49/65/1061554965.db2.gz ODZSDFJIZXYPEN-RDJZCZTQSA-N 1 0 303.446 4.318 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001252119857 1061579919 /nfs/dbraw/zinc/57/99/19/1061579919.db2.gz HSDJTVKKFFUYMS-SFHVURJKSA-N 1 0 302.462 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH+]1CCC(OC2CCC2)CC1 ZINC001252123982 1061580687 /nfs/dbraw/zinc/58/06/87/1061580687.db2.gz NKQGFNOWLWPUEN-QGZVFWFLSA-N 1 0 311.510 4.131 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001252123320 1061582830 /nfs/dbraw/zinc/58/28/30/1061582830.db2.gz FYMJUCNNKZXMLO-FQEVSTJZSA-N 1 0 314.473 4.028 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1Cc2ccc(OC)cc2C1 ZINC001252130442 1061584546 /nfs/dbraw/zinc/58/45/46/1061584546.db2.gz QLILSQHOIALBQS-GOSISDBHSA-N 1 0 305.462 4.122 20 30 DIEDRO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001252126586 1061584664 /nfs/dbraw/zinc/58/46/64/1061584664.db2.gz QYFAECSVBHZRNW-XHSDSOJGSA-N 1 0 303.437 4.075 20 30 DIEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC001474040229 1061586288 /nfs/dbraw/zinc/58/62/88/1061586288.db2.gz VLLZEGIUUNXGBD-LPHOPBHVSA-N 1 0 313.489 4.341 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001252128628 1061586587 /nfs/dbraw/zinc/58/65/87/1061586587.db2.gz PMSPYQSHUOFFHK-RTBURBONSA-N 1 0 304.478 4.330 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CCCc1cc(C)ccn1 ZINC001252134384 1061591338 /nfs/dbraw/zinc/59/13/38/1061591338.db2.gz QELAZCVQGHOHOT-IBGZPJMESA-N 1 0 306.494 4.024 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](C)CCCC(C)(C)O ZINC001252134169 1061592395 /nfs/dbraw/zinc/59/23/95/1061592395.db2.gz NZRAGXCZSJEVJP-IAGOWNOFSA-N 1 0 301.515 4.017 20 30 DIEDRO CCCCCCCC[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC001252134278 1061592417 /nfs/dbraw/zinc/59/24/17/1061592417.db2.gz WQWLVHVBEBVHIU-LJQANCHMSA-N 1 0 302.462 4.102 20 30 DIEDRO CCCCCCCCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001464419582 1061592541 /nfs/dbraw/zinc/59/25/41/1061592541.db2.gz QNJDAFXOJWZUOD-MSOLQXFVSA-N 1 0 310.526 4.316 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCCc2ncccc21 ZINC001252133041 1061593035 /nfs/dbraw/zinc/59/30/35/1061593035.db2.gz FJZLNFQETMYOTB-LPHOPBHVSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C(C)(C)Cc1ccncc1 ZINC001252138553 1061594085 /nfs/dbraw/zinc/59/40/85/1061594085.db2.gz DKIXISSJQMDBCK-SFHVURJKSA-N 1 0 306.494 4.104 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCCc2cnccc21 ZINC001252140055 1061596986 /nfs/dbraw/zinc/59/69/86/1061596986.db2.gz XRVACXCRTMVPOX-HKUYNNGSSA-N 1 0 304.478 4.160 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](c1ccnc(F)c1)C1CC1 ZINC001252140115 1061597103 /nfs/dbraw/zinc/59/71/03/1061597103.db2.gz ZCWKUVIHRMLFRQ-MJGOQNOKSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)c1cccc(C)n1 ZINC001252138963 1061597366 /nfs/dbraw/zinc/59/73/66/1061597366.db2.gz HSEOCJUKCAVBEP-GOSISDBHSA-N 1 0 320.521 4.369 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1(c2ncccc2C)CC1 ZINC001252139336 1061597894 /nfs/dbraw/zinc/59/78/94/1061597894.db2.gz MCFDOFUOLZWIRJ-GOSISDBHSA-N 1 0 318.505 4.123 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C1(CC2CC2)CCOCC1 ZINC001252139766 1061598237 /nfs/dbraw/zinc/59/82/37/1061598237.db2.gz RWDQUBGHZSLSTM-SFHVURJKSA-N 1 0 311.510 4.037 20 30 DIEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](c1cccnc1F)C1CC1 ZINC001252139566 1061598527 /nfs/dbraw/zinc/59/85/27/1061598527.db2.gz PMEYUTDNYAUZSP-AEFFLSMTSA-N 1 0 322.468 4.373 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]C(C)(C)Cc1ccccn1 ZINC001252139978 1061598849 /nfs/dbraw/zinc/59/88/49/1061598849.db2.gz WEUXRXFNWKPXKH-SFHVURJKSA-N 1 0 306.494 4.104 20 30 DIEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)Cc1cccnc1 ZINC001252139791 1061598874 /nfs/dbraw/zinc/59/88/74/1061598874.db2.gz SIMJPENWLJDBKT-IBGZPJMESA-N 1 0 320.521 4.351 20 30 DIEDRO C#CCCCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001474067518 1061614353 /nfs/dbraw/zinc/61/43/53/1061614353.db2.gz XPAACFWKDOYKJB-UHFFFAOYSA-N 1 0 313.391 4.490 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C/C=C\c1ccccc1 ZINC001474088944 1061634540 /nfs/dbraw/zinc/63/45/40/1061634540.db2.gz ZWPCBFLCTRPMRN-YFHOEESVSA-N 1 0 311.812 4.155 20 30 DIEDRO C#Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)cc1 ZINC001474103106 1061650585 /nfs/dbraw/zinc/65/05/85/1061650585.db2.gz UQVZLJRHYOZUPF-UHFFFAOYSA-N 1 0 313.803 4.282 20 30 DIEDRO COc1ccc(C[NH2+]C2(Cc3ccccc3)CCCC2)cc1C#N ZINC001474106683 1061657131 /nfs/dbraw/zinc/65/71/31/1061657131.db2.gz WVHXXVWMDXPFBE-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO C=C[C@@](C)(O)C[N@H+]1CC=C(c2cc(Cl)cc(Cl)c2)CC1 ZINC001252541872 1061661272 /nfs/dbraw/zinc/66/12/72/1061661272.db2.gz VFFZTVPRZZUEAI-MRXNPFEDSA-N 1 0 312.240 4.020 20 30 DIEDRO C=C[C@](C)(O)C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001252559451 1061663116 /nfs/dbraw/zinc/66/31/16/1061663116.db2.gz XHQLCBLDTASUHR-UWJYYQICSA-N 1 0 320.436 4.058 20 30 DIEDRO C=C[C@](C)(O)C[NH+]1CCC(c2csc3ccccc32)CC1 ZINC001252555729 1061664346 /nfs/dbraw/zinc/66/43/46/1061664346.db2.gz BCFUTZDOICZHFI-SFHVURJKSA-N 1 0 301.455 4.018 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCN2CCC3(CCCCC3)CC2)C1 ZINC001474125798 1061670873 /nfs/dbraw/zinc/67/08/73/1061670873.db2.gz XWDKRUCFKPUQBZ-OALUTQOASA-N 1 0 304.522 4.367 20 30 DIEDRO COCCC1(C[NH2+]Cc2c(C)cc(C#N)cc2C)CCCCC1 ZINC001474120970 1061671009 /nfs/dbraw/zinc/67/10/09/1061671009.db2.gz FYTLJDBXHRKREY-UHFFFAOYSA-N 1 0 314.473 4.252 20 30 DIEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001252599941 1061672600 /nfs/dbraw/zinc/67/26/00/1061672600.db2.gz QIMDJALBRQWCTG-CHWSQXEVSA-N 1 0 314.256 4.110 20 30 DIEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001252599942 1061673061 /nfs/dbraw/zinc/67/30/61/1061673061.db2.gz QIMDJALBRQWCTG-OLZOCXBDSA-N 1 0 314.256 4.110 20 30 DIEDRO C=CCC[C@@H](O)C[NH+]1CCC(c2csc3ccccc32)CC1 ZINC001252603704 1061674098 /nfs/dbraw/zinc/67/40/98/1061674098.db2.gz FINDRBBQWPAECE-MRXNPFEDSA-N 1 0 315.482 4.408 20 30 DIEDRO C=CCC[C@H](O)C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC001252619017 1061679395 /nfs/dbraw/zinc/67/93/95/1061679395.db2.gz ISPQZSWLXKCCHP-SFTDATJTSA-N 1 0 309.453 4.196 20 30 DIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC001252618718 1061680158 /nfs/dbraw/zinc/68/01/58/1061680158.db2.gz DSVGIKJQRULDNA-CABCVRRESA-N 1 0 301.352 4.073 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001252621768 1061680211 /nfs/dbraw/zinc/68/02/11/1061680211.db2.gz HZZHBSYHBNTTTO-HNNXBMFYSA-N 1 0 313.363 4.001 20 30 DIEDRO C=CCC[C@H](O)C[NH2+]C1(Cc2ccccc2)CCC(F)(F)CC1 ZINC001252621429 1061680419 /nfs/dbraw/zinc/68/04/19/1061680419.db2.gz BTMSKMCKCIRWQH-KRWDZBQOSA-N 1 0 323.427 4.094 20 30 DIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(Br)cc1SC ZINC001474148941 1061681992 /nfs/dbraw/zinc/68/19/92/1061681992.db2.gz DBBUJFCMNZWALU-UHFFFAOYSA-N 1 0 314.292 4.473 20 30 DIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1F ZINC001474179265 1061724730 /nfs/dbraw/zinc/72/47/30/1061724730.db2.gz MBAYLSAWFHBHEP-OAHLLOKOSA-N 1 0 305.343 4.381 20 30 DIEDRO C=C(CC)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC001474178986 1061725177 /nfs/dbraw/zinc/72/51/77/1061725177.db2.gz XNTRURMZDWBBMJ-UHFFFAOYSA-N 1 0 307.800 4.029 20 30 DIEDRO C=C(CC)C[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC001474178556 1061725499 /nfs/dbraw/zinc/72/54/99/1061725499.db2.gz KEUBWDUTQUFTEB-UHFFFAOYSA-N 1 0 321.827 4.088 20 30 DIEDRO Cc1ccccc1[C@H]([C@H](C)Nc1cccc(F)c1C#N)[NH+](C)C ZINC001458369109 1061725567 /nfs/dbraw/zinc/72/55/67/1061725567.db2.gz FGWJUJSBGYICBG-LIRRHRJNSA-N 1 0 311.404 4.109 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)c1 ZINC001474181047 1061727511 /nfs/dbraw/zinc/72/75/11/1061727511.db2.gz UHWXZAVJMAGSMN-UHFFFAOYSA-N 1 0 320.219 4.273 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1CC1(C)C ZINC001474184204 1061733620 /nfs/dbraw/zinc/73/36/20/1061733620.db2.gz QMTVJRLSXFCLJC-QZTJIDSGSA-N 1 0 300.446 4.283 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1CC1(C)C ZINC001474184208 1061733903 /nfs/dbraw/zinc/73/39/03/1061733903.db2.gz QMTVJRLSXFCLJC-ZWKOTPCHSA-N 1 0 300.446 4.283 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC[C@H](C)CC)cc1OC ZINC001474203851 1061758383 /nfs/dbraw/zinc/75/83/83/1061758383.db2.gz WAEFDZSTTNLKQF-CYBMUJFWSA-N 1 0 311.853 4.439 20 30 DIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC001474208170 1061762266 /nfs/dbraw/zinc/76/22/66/1061762266.db2.gz UMZBSWUSMMOMSK-RDJZCZTQSA-N 1 0 319.518 4.145 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nccc(C)c1Br ZINC001474207952 1061762853 /nfs/dbraw/zinc/76/28/53/1061762853.db2.gz MELCNXNQWAWSNE-UONOGXRCSA-N 1 0 323.278 4.377 20 30 DIEDRO C=CCC1([NH2+]Cc2nc3ccc(OC)cc3s2)CCCC1 ZINC001474210644 1061765894 /nfs/dbraw/zinc/76/58/94/1061765894.db2.gz YBUJFZPEMMVSMY-UHFFFAOYSA-N 1 0 302.443 4.283 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cncc(C)c1 ZINC001252978373 1061768833 /nfs/dbraw/zinc/76/88/33/1061768833.db2.gz AQIXWZYYINEQSH-LJQANCHMSA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+]Cc1cccc(C)n1 ZINC001252979396 1061769665 /nfs/dbraw/zinc/76/96/65/1061769665.db2.gz BYPGMWKRCHLKGH-IBGZPJMESA-N 1 0 306.494 4.371 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC001252980334 1061769702 /nfs/dbraw/zinc/76/97/02/1061769702.db2.gz RQZJRYSSTZXMKA-MOPGFXCFSA-N 1 0 313.526 4.115 20 30 DIEDRO CCCCCCCCCCCCC[NH2+]CC1(O)CCOCC1 ZINC001252975703 1061769806 /nfs/dbraw/zinc/76/98/06/1061769806.db2.gz GMTYIIORYWEGTG-UHFFFAOYSA-N 1 0 313.526 4.429 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC001252983490 1061772699 /nfs/dbraw/zinc/77/26/99/1061772699.db2.gz WESXHDIDRBILSE-VQTJNVASSA-N 1 0 324.553 4.048 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001252986528 1061777092 /nfs/dbraw/zinc/77/70/92/1061777092.db2.gz MAXWKFUVWWDKFK-QGZVFWFLSA-N 1 0 323.477 4.079 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC001252986605 1061777305 /nfs/dbraw/zinc/77/73/05/1061777305.db2.gz NJXINEZJFNPZQR-FHWLQOOXSA-N 1 0 313.526 4.019 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC001252988127 1061778658 /nfs/dbraw/zinc/77/86/58/1061778658.db2.gz BDACJVHQAIMXRZ-MRXNPFEDSA-N 1 0 306.450 4.133 20 30 DIEDRO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[C@]12CCCOC2 ZINC001252988399 1061779988 /nfs/dbraw/zinc/77/99/88/1061779988.db2.gz FNGXZMPLEJBLSB-OTWHNJEPSA-N 1 0 311.510 4.037 20 30 DIEDRO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1cncn1C(C)C ZINC001252989108 1061780849 /nfs/dbraw/zinc/78/08/49/1061780849.db2.gz MYSODCUCWLUHRC-LJQANCHMSA-N 1 0 323.525 4.445 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001474226649 1061788870 /nfs/dbraw/zinc/78/88/70/1061788870.db2.gz WQAUXUSBYDPIBB-YLJYHZDGSA-N 1 0 315.501 4.181 20 30 DIEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001474226646 1061788953 /nfs/dbraw/zinc/78/89/53/1061788953.db2.gz WQAUXUSBYDPIBB-FXAWDEMLSA-N 1 0 315.501 4.181 20 30 DIEDRO C#CC1([NH2+]Cc2ccc(OC)c(OCCCCC)c2)CCCC1 ZINC001474246791 1061811756 /nfs/dbraw/zinc/81/17/56/1061811756.db2.gz GUUXFCTXNKXUNQ-UHFFFAOYSA-N 1 0 315.457 4.300 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C[C@@]2(C)CC2(C)C)ccc1OC ZINC001474252358 1061819449 /nfs/dbraw/zinc/81/94/49/1061819449.db2.gz PMQMQDXVLNUDJV-LJQANCHMSA-N 1 0 303.446 4.176 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001474255905 1061824375 /nfs/dbraw/zinc/82/43/75/1061824375.db2.gz BXLPMLVASFIWBN-CVEARBPZSA-N 1 0 324.509 4.262 20 30 DIEDRO COc1cccc2c1CCC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C2 ZINC001474266438 1061832091 /nfs/dbraw/zinc/83/20/91/1061832091.db2.gz SNKBCTUYQZWFSK-DNVCBOLYSA-N 1 0 320.436 4.165 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC001253226871 1061832106 /nfs/dbraw/zinc/83/21/06/1061832106.db2.gz BXKFLUONOHRDJI-LJQANCHMSA-N 1 0 314.473 4.453 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCc1c[nH]c2ccccc12 ZINC001253227965 1061834579 /nfs/dbraw/zinc/83/45/79/1061834579.db2.gz OLAKWVSTNHALOB-GOSISDBHSA-N 1 0 314.473 4.188 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2c(ccn2C)c1 ZINC001253228691 1061834733 /nfs/dbraw/zinc/83/47/33/1061834733.db2.gz WGORUYZAHQIIJQ-LJQANCHMSA-N 1 0 314.473 4.155 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001253228168 1061834763 /nfs/dbraw/zinc/83/47/63/1061834763.db2.gz PXWYXAQXFQRULO-SJLPKXTDSA-N 1 0 306.450 4.007 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001253239892 1061836912 /nfs/dbraw/zinc/83/69/12/1061836912.db2.gz VGHZUTMSHWAMCA-RTBURBONSA-N 1 0 302.462 4.106 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[N@H+](C)CC/C=C/c1cccnc1 ZINC001253238694 1061838292 /nfs/dbraw/zinc/83/82/92/1061838292.db2.gz DJBVCTXFQSDXLW-RGFVMQALSA-N 1 0 316.489 4.304 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1c(F)cc(F)cc1F ZINC001253248764 1061850548 /nfs/dbraw/zinc/85/05/48/1061850548.db2.gz BNXGHYVKHUFUQB-AWEZNQCLSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1c(F)cc(F)cc1F ZINC001253248765 1061850620 /nfs/dbraw/zinc/85/06/20/1061850620.db2.gz BNXGHYVKHUFUQB-CQSZACIVSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]Cc1cn(C)c2ccccc12 ZINC001253248034 1061851032 /nfs/dbraw/zinc/85/10/32/1061851032.db2.gz OWIMXKQNEYKMBV-SFHVURJKSA-N 1 0 314.473 4.155 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001253248582 1061851217 /nfs/dbraw/zinc/85/12/17/1061851217.db2.gz XSJROXPWJDGOLH-IBGZPJMESA-N 1 0 314.473 4.270 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001253248583 1061851383 /nfs/dbraw/zinc/85/13/83/1061851383.db2.gz XSJROXPWJDGOLH-LJQANCHMSA-N 1 0 314.473 4.270 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC001253247471 1061851529 /nfs/dbraw/zinc/85/15/29/1061851529.db2.gz ZNPYDQFNHCKRSF-AEFFLSMTSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001253248956 1061851599 /nfs/dbraw/zinc/85/15/99/1061851599.db2.gz DSBQKLBQQNZAEO-TXPKVOOTSA-N 1 0 323.427 4.298 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1c(F)ccc(F)c1F ZINC001253248031 1061851867 /nfs/dbraw/zinc/85/18/67/1061851867.db2.gz OUXLPSOIKQZPTJ-CYBMUJFWSA-N 1 0 315.379 4.081 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc(OCC)cc1 ZINC001253248517 1061852223 /nfs/dbraw/zinc/85/22/23/1061852223.db2.gz WRVQUFXESUKGJY-GOSISDBHSA-N 1 0 305.462 4.062 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC001253251138 1061853194 /nfs/dbraw/zinc/85/31/94/1061853194.db2.gz GUQKQGCXQKVSDH-DOTOQJQBSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001253251135 1061853359 /nfs/dbraw/zinc/85/33/59/1061853359.db2.gz GUOFLPNNSYFUBR-PXNSSMCTSA-N 1 0 318.505 4.291 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC001253252284 1061853822 /nfs/dbraw/zinc/85/38/22/1061853822.db2.gz UJOLCIXLBDGPKW-RDJZCZTQSA-N 1 0 323.452 4.372 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1ccnc(F)c1)C1CC1 ZINC001253252956 1061854400 /nfs/dbraw/zinc/85/44/00/1061854400.db2.gz AFAGOWVXWOQDAT-PKOBYXMFSA-N 1 0 320.452 4.149 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CC(c2ccccc2)C1 ZINC001253250702 1061854555 /nfs/dbraw/zinc/85/45/55/1061854555.db2.gz DAQSUYGJHPHCAM-SOAGJPPSSA-N 1 0 301.474 4.410 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]1c1ccc(F)cc1 ZINC001253251517 1061854763 /nfs/dbraw/zinc/85/47/63/1061854763.db2.gz LXKOGYXQFRKZPH-FHWLQOOXSA-N 1 0 305.437 4.159 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)(C)c1ncccc1C ZINC001253253007 1061855071 /nfs/dbraw/zinc/85/50/71/1061855071.db2.gz BBMUKQMPXSVOFB-GOSISDBHSA-N 1 0 318.505 4.145 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)c1cccc(N(C)C)c1 ZINC001253254296 1061856518 /nfs/dbraw/zinc/85/65/18/1061856518.db2.gz PLNKBQHQYRFPRC-PXNSSMCTSA-N 1 0 318.505 4.291 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCOc2cc(F)ccc21 ZINC001253255274 1061856905 /nfs/dbraw/zinc/85/69/05/1061856905.db2.gz HUQRSGZWQOISLG-SJLPKXTDSA-N 1 0 321.436 4.126 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)(C)CC(F)(F)F ZINC001253254065 1061856978 /nfs/dbraw/zinc/85/69/78/1061856978.db2.gz MCHAYIKILPEACY-CQSZACIVSA-N 1 0 309.416 4.442 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](c1cccnc1C)C1CC1 ZINC001253254903 1061857841 /nfs/dbraw/zinc/85/78/41/1061857841.db2.gz VLWOFJIPHHHQMU-AZUAARDMSA-N 1 0 316.489 4.318 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC001474290789 1061859158 /nfs/dbraw/zinc/85/91/58/1061859158.db2.gz CGRFINQGVMOYFS-BXUZGUMPSA-N 1 0 312.226 4.423 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC001253257373 1061859636 /nfs/dbraw/zinc/85/96/36/1061859636.db2.gz SWEOBKULWQBOPA-IEBWSBKVSA-N 1 0 319.489 4.103 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CCC1CCC(OC)CC1 ZINC001253255940 1061860255 /nfs/dbraw/zinc/86/02/55/1061860255.db2.gz PDYFAIFLGHURGH-XBMUEBEBSA-N 1 0 311.510 4.059 20 30 DIEDRO C=CCCCCCC[C@H](O)C[NH2+]CCc1cc2ccccc2[nH]1 ZINC001253256256 1061861421 /nfs/dbraw/zinc/86/14/21/1061861421.db2.gz UCABUERMTMPJBQ-IBGZPJMESA-N 1 0 314.473 4.188 20 30 DIEDRO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc(C(F)(F)F)o1 ZINC001253257073 1061861552 /nfs/dbraw/zinc/86/15/52/1061861552.db2.gz LTVJECQPUXWWSG-CYBMUJFWSA-N 1 0 319.367 4.276 20 30 DIEDRO C=C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001253578392 1061929923 /nfs/dbraw/zinc/92/99/23/1061929923.db2.gz AJGKHRCOTOZIIK-NHCUHLMSSA-N 1 0 321.464 4.220 20 30 DIEDRO CCCCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@@H](CO)C1 ZINC001253565250 1061930996 /nfs/dbraw/zinc/93/09/96/1061930996.db2.gz KSLLYJUDJUQDOJ-CEXWTWQISA-N 1 0 313.526 4.019 20 30 DIEDRO C#CC[N@@H+](CCc1cccc(Cl)c1)Cc1ccc(F)cc1 ZINC001474338808 1061934759 /nfs/dbraw/zinc/93/47/59/1061934759.db2.gz FBWLTFQWJDBJCV-UHFFFAOYSA-N 1 0 301.792 4.157 20 30 DIEDRO C=C[C@H](O)C[NH+]1CCC(c2ccc(-c3ccccc3)cc2)CC1 ZINC001253585189 1061935587 /nfs/dbraw/zinc/93/55/87/1061935587.db2.gz AKKWCWAFXKFNKM-NRFANRHFSA-N 1 0 307.437 4.080 20 30 DIEDRO COc1ccc2cc(C[N@H+](C)CC#Cc3ccccc3)ccc2c1 ZINC001474353287 1061963041 /nfs/dbraw/zinc/96/30/41/1061963041.db2.gz NHCPGUDKMHXPTQ-UHFFFAOYSA-N 1 0 315.416 4.332 20 30 DIEDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001474350431 1061964671 /nfs/dbraw/zinc/96/46/71/1061964671.db2.gz LMRJDVCAWRWZOG-HXUWFJFHSA-N 1 0 321.468 4.077 20 30 DIEDRO CC[N@H+](CC1(OC)CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC001474369508 1062002461 /nfs/dbraw/zinc/00/24/61/1062002461.db2.gz HPSLVGDNBBCCRQ-MRXNPFEDSA-N 1 0 300.446 4.290 20 30 DIEDRO CC[N@H+](Cc1ccc2c(c1)CCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC001474370623 1062008581 /nfs/dbraw/zinc/00/85/81/1062008581.db2.gz YEVAPPLKYRFBQM-MRXNPFEDSA-N 1 0 320.436 4.466 20 30 DIEDRO CCC[N@H+](Cc1cc2ccccc2n1C)Cc1ccc(C#N)cc1 ZINC001474374594 1062018436 /nfs/dbraw/zinc/01/84/36/1062018436.db2.gz XDQQBBLUIDGWEG-UHFFFAOYSA-N 1 0 317.436 4.462 20 30 DIEDRO C#CC[N@@H+](CCc1ccc(F)cc1F)[C@H]1CCc2ccccc21 ZINC001474388286 1062039824 /nfs/dbraw/zinc/03/98/24/1062039824.db2.gz ZWDOWIBUOSMNSG-FQEVSTJZSA-N 1 0 311.375 4.130 20 30 DIEDRO N#CC1(c2ccccc2)CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254217362 1062053358 /nfs/dbraw/zinc/05/33/58/1062053358.db2.gz WEIIILHZCSIZFH-UHFFFAOYSA-N 1 0 304.384 4.122 20 30 DIEDRO N#Cc1ccc(C2CC[NH+](C3CCC(F)(F)CC3)CC2)cc1 ZINC001254226046 1062058914 /nfs/dbraw/zinc/05/89/14/1062058914.db2.gz QHPHRHWPRBIDMR-UHFFFAOYSA-N 1 0 304.384 4.316 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)c1ccncc1 ZINC001254341633 1062081127 /nfs/dbraw/zinc/08/11/27/1062081127.db2.gz HUOITBBVHVWJBQ-APMMTJHUSA-N 1 0 323.415 4.275 20 30 DIEDRO Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)nc1 ZINC001254346045 1062081197 /nfs/dbraw/zinc/08/11/97/1062081197.db2.gz HYPBAYMMDAZCGF-UHFFFAOYSA-N 1 0 323.415 4.023 20 30 DIEDRO C[C@H]1C[C@@H](CF)[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353104 1062084528 /nfs/dbraw/zinc/08/45/28/1062084528.db2.gz PVJLZFFRHOEACI-JOFJAFTHSA-N 1 0 318.411 4.210 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001254352867 1062085143 /nfs/dbraw/zinc/08/51/43/1062085143.db2.gz HHWMVMPVVGZBDF-BANKROOTSA-N 1 0 312.432 4.262 20 30 DIEDRO N#CC1(c2ccc(F)cc2)CCC([NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC001254352868 1062086082 /nfs/dbraw/zinc/08/60/82/1062086082.db2.gz HHWMVMPVVGZBDF-JZFKGDSASA-N 1 0 312.432 4.262 20 30 DIEDRO C[N@H+](C1CCCC1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254356759 1062086152 /nfs/dbraw/zinc/08/61/52/1062086152.db2.gz TWQASKUDVRLVOX-UHFFFAOYSA-N 1 0 300.421 4.404 20 30 DIEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001474420433 1062092050 /nfs/dbraw/zinc/09/20/50/1062092050.db2.gz URJRZWXILXDSJV-FQEVSTJZSA-N 1 0 308.400 4.295 20 30 DIEDRO C#CC[N@H+](C[C@H]1CC2(CO1)CCCCC2)[C@@H]1CCc2ccccc21 ZINC001459345372 1062100307 /nfs/dbraw/zinc/10/03/07/1062100307.db2.gz OGYCMZVZIFXYKX-TZIWHRDSSA-N 1 0 323.480 4.349 20 30 DIEDRO C=CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1F ZINC001459346200 1062101339 /nfs/dbraw/zinc/10/13/39/1062101339.db2.gz KVHKWNCMMMOWSH-CYBMUJFWSA-N 1 0 302.220 4.398 20 30 DIEDRO CC(C)C[N@H+](CCOC1CCCCC1)Cc1ccc(C#N)cc1 ZINC001459376382 1062118078 /nfs/dbraw/zinc/11/80/78/1062118078.db2.gz HEZUWFBZTKRQPQ-UHFFFAOYSA-N 1 0 314.473 4.366 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001474440995 1062118535 /nfs/dbraw/zinc/11/85/35/1062118535.db2.gz BQIYPROGOQSZQV-IAGOWNOFSA-N 1 0 302.462 4.131 20 30 DIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cnc(Cl)c(F)c1 ZINC001459389724 1062124143 /nfs/dbraw/zinc/12/41/43/1062124143.db2.gz FBXZOJLZXXTWCU-UHFFFAOYSA-N 1 0 304.796 4.105 20 30 DIEDRO CCC[C@@H](CCc1ccccc1)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001254486308 1062128482 /nfs/dbraw/zinc/12/84/82/1062128482.db2.gz YJGCFOHQXVHKAN-INIZCTEOSA-N 1 0 315.848 4.242 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC001474456912 1062135026 /nfs/dbraw/zinc/13/50/26/1062135026.db2.gz JAAGTJBZRNAHEZ-ZDUSSCGKSA-N 1 0 305.853 4.451 20 30 DIEDRO C=C1CC[NH+](CC2(COc3cccc(COC)c3)CCC2)CC1 ZINC001459452063 1062149296 /nfs/dbraw/zinc/14/92/96/1062149296.db2.gz GZQOAZBNDWNUOM-UHFFFAOYSA-N 1 0 315.457 4.034 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC001474475268 1062155253 /nfs/dbraw/zinc/15/52/53/1062155253.db2.gz YHFSOOSPMJCKSU-CQSZACIVSA-N 1 0 316.367 4.247 20 30 DIEDRO CC(C)c1ccc(O[C@@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC001474509726 1062191337 /nfs/dbraw/zinc/19/13/37/1062191337.db2.gz TYVJXSTYMXCGRF-HOTGVXAUSA-N 1 0 302.462 4.495 20 30 DIEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H](C)CCC#N ZINC001474514560 1062198397 /nfs/dbraw/zinc/19/83/97/1062198397.db2.gz AGOKXRIOWLYFAM-BQFCYCMXSA-N 1 0 300.446 4.408 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001474522148 1062205886 /nfs/dbraw/zinc/20/58/86/1062205886.db2.gz NNGFECIZWYPSEH-BPQIPLTHSA-N 1 0 307.865 4.283 20 30 DIEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001474522151 1062206846 /nfs/dbraw/zinc/20/68/46/1062206846.db2.gz NNGFECIZWYPSEH-RYQLBKOJSA-N 1 0 307.865 4.283 20 30 DIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2cncc(C#N)c2)cc1 ZINC001459561184 1062211130 /nfs/dbraw/zinc/21/11/30/1062211130.db2.gz MKTOVTITWUIQFG-PMACEKPBSA-N 1 0 305.425 4.030 20 30 DIEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCC2)C1 ZINC001254650026 1062213037 /nfs/dbraw/zinc/21/30/37/1062213037.db2.gz XAOYFRJNDAAVSR-GOEBONIOSA-N 1 0 322.374 4.452 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC001254643787 1062213580 /nfs/dbraw/zinc/21/35/80/1062213580.db2.gz MZYCSOQYSUEEKR-DIOULYMOSA-N 1 0 319.246 4.108 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C1 ZINC001254649080 1062214459 /nfs/dbraw/zinc/21/44/59/1062214459.db2.gz MQAHNPVLMAICPV-KCJUWKMLSA-N 1 0 303.620 4.429 20 30 DIEDRO COc1cccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2ccccc2)c1 ZINC001254646065 1062215086 /nfs/dbraw/zinc/21/50/86/1062215086.db2.gz JVRYIHAIBQPLPC-MOXGXCLJSA-N 1 0 306.409 4.066 20 30 DIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001459568343 1062216184 /nfs/dbraw/zinc/21/61/84/1062216184.db2.gz AHQLLBKKSJTNHR-DJJJIMSYSA-N 1 0 312.363 4.420 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC001254657176 1062220009 /nfs/dbraw/zinc/22/00/09/1062220009.db2.gz OBUNEOSMEDEXLR-HSMVNMDESA-N 1 0 319.246 4.108 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC001254658547 1062220945 /nfs/dbraw/zinc/22/09/45/1062220945.db2.gz WMPYWNFJEYGSRK-RISCZKNCSA-N 1 0 317.845 4.245 20 30 DIEDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC001254654867 1062221013 /nfs/dbraw/zinc/22/10/13/1062221013.db2.gz XUKXINGEJMVZGS-KCPJHIHWSA-N 1 0 307.235 4.182 20 30 DIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254668622 1062221796 /nfs/dbraw/zinc/22/17/96/1062221796.db2.gz GXCMQHBRTASVPF-KWCYVHTRSA-N 1 0 309.240 4.475 20 30 DIEDRO N#C[C@H]1CC[C@@H](n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)C1 ZINC001254673493 1062226452 /nfs/dbraw/zinc/22/64/52/1062226452.db2.gz LNIMHTDVTJRPAG-DZGCQCFKSA-N 1 0 311.404 4.112 20 30 DIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(Cc3cnc4ccccc4c3)CC2)C1 ZINC001254674895 1062226980 /nfs/dbraw/zinc/22/69/80/1062226980.db2.gz AKWYMHMVFKMVDI-XLIONFOSSA-N 1 0 319.452 4.182 20 30 DIEDRO CCC(CC)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)C ZINC001459603377 1062238604 /nfs/dbraw/zinc/23/86/04/1062238604.db2.gz MTPNSPJOVJIQOD-UHFFFAOYSA-N 1 0 303.406 4.113 20 30 DIEDRO C=CCCC[NH2+][C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254734825 1062241000 /nfs/dbraw/zinc/24/10/00/1062241000.db2.gz XOBQYIHPARIKBQ-MRXNPFEDSA-N 1 0 322.493 4.112 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC001474553559 1062253992 /nfs/dbraw/zinc/25/39/92/1062253992.db2.gz PXYSVWHEEZPHPE-YVWKXTFCSA-N 1 0 311.469 4.415 20 30 DIEDRO Cc1ccc(C[N@@H+]2CCSC3(CCCCC3)C2)cc1C#N ZINC001459638363 1062272250 /nfs/dbraw/zinc/27/22/50/1062272250.db2.gz VTDUMJXBXMYSNS-UHFFFAOYSA-N 1 0 300.471 4.118 20 30 DIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001254897567 1062274274 /nfs/dbraw/zinc/27/42/74/1062274274.db2.gz XHYOJDNWRNKRCU-MOPGFXCFSA-N 1 0 314.473 4.016 20 30 DIEDRO CCCCCCC[NH2+][C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254888118 1062274808 /nfs/dbraw/zinc/27/48/08/1062274808.db2.gz AHKZWZXHQGHCGJ-BJWYYQGGSA-N 1 0 324.509 4.192 20 30 DIEDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC001474572876 1062280898 /nfs/dbraw/zinc/28/08/98/1062280898.db2.gz KVNPBTJEXDWMQG-INIZCTEOSA-N 1 0 322.427 4.444 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1c1ccccc1 ZINC001459673573 1062294225 /nfs/dbraw/zinc/29/42/25/1062294225.db2.gz VMCBACXNKMUBTH-DNVCBOLYSA-N 1 0 308.400 4.323 20 30 DIEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC001255018806 1062301551 /nfs/dbraw/zinc/30/15/51/1062301551.db2.gz KXOHIINOJAHXRR-APWZRJJASA-N 1 0 311.425 4.117 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001474610702 1062325367 /nfs/dbraw/zinc/32/53/67/1062325367.db2.gz BKBXWXZSPRQCNT-OXQOHEQNSA-N 1 0 317.473 4.230 20 30 DIEDRO CCC[N@H+](Cc1cccc(Br)c1)[C@@H](CC)CC#N ZINC001255175476 1062353131 /nfs/dbraw/zinc/35/31/31/1062353131.db2.gz PLEYGEQLWRREON-HNNXBMFYSA-N 1 0 309.251 4.353 20 30 DIEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCOc1ccccc1C#N ZINC001459723147 1062337697 /nfs/dbraw/zinc/33/76/97/1062337697.db2.gz QAEVCEZUSUMEIP-GOSISDBHSA-N 1 0 300.446 4.228 20 30 DIEDRO C=CCCSCC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC001474618073 1062338599 /nfs/dbraw/zinc/33/85/99/1062338599.db2.gz LXUNOOAOTZNCON-BMGDILEWSA-N 1 0 305.487 4.086 20 30 DIEDRO C=CC[C@@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001474619031 1062339297 /nfs/dbraw/zinc/33/92/97/1062339297.db2.gz LNJKKXFCLYFAHH-RBFDBLARSA-N 1 0 300.402 4.286 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1 ZINC001255157593 1062345952 /nfs/dbraw/zinc/34/59/52/1062345952.db2.gz SEWSLWZCCGNGDG-RLLQIKCJSA-N 1 0 306.409 4.197 20 30 DIEDRO C=CCCC1(C[NH2+]Cc2ccsc2C(=O)OC)CCCC1 ZINC001474624904 1062347289 /nfs/dbraw/zinc/34/72/89/1062347289.db2.gz GOZOVBQCQHMIFR-UHFFFAOYSA-N 1 0 307.459 4.151 20 30 DIEDRO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC001459733783 1062348941 /nfs/dbraw/zinc/34/89/41/1062348941.db2.gz KXJMHYFLCMGLGU-RBUKOAKNSA-N 1 0 314.473 4.168 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC001255164543 1062349445 /nfs/dbraw/zinc/34/94/45/1062349445.db2.gz OAEYDKXSRCUDEE-IAQYHMDHSA-N 1 0 307.235 4.108 20 30 DIEDRO CC[C@@H](CC#N)[NH2+]C1(c2ccc(OC)cc2)CCC(F)(F)CC1 ZINC001255162577 1062350299 /nfs/dbraw/zinc/35/02/99/1062350299.db2.gz SZUIHQANLOLWNJ-HNNXBMFYSA-N 1 0 322.399 4.382 20 30 DIEDRO CC[C@H](CC#N)[N@H+](C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001255175569 1062351876 /nfs/dbraw/zinc/35/18/76/1062351876.db2.gz RBHWFZIWONYIGI-UXHICEINSA-N 1 0 310.441 4.276 20 30 DIEDRO CC[C@H](CC#N)[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001255176662 1062352198 /nfs/dbraw/zinc/35/21/98/1062352198.db2.gz CWMSNQAVRAZJNS-IAGOWNOFSA-N 1 0 300.446 4.345 20 30 DIEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)C12CCC2 ZINC001474631670 1062352742 /nfs/dbraw/zinc/35/27/42/1062352742.db2.gz MZRVOYKHDLTYOD-HZPDHXFCSA-N 1 0 304.478 4.176 20 30 DIEDRO CCC[N@H+](Cc1cccc(Br)c1)[C@H](CC)CC#N ZINC001255175477 1062354026 /nfs/dbraw/zinc/35/40/26/1062354026.db2.gz PLEYGEQLWRREON-OAHLLOKOSA-N 1 0 309.251 4.353 20 30 DIEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001255176664 1062354560 /nfs/dbraw/zinc/35/45/60/1062354560.db2.gz CWMSNQAVRAZJNS-SJORKVTESA-N 1 0 300.446 4.345 20 30 DIEDRO COc1ccc(C#N)cc1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC001459752367 1062361015 /nfs/dbraw/zinc/36/10/15/1062361015.db2.gz GVTQLRAOBWJCKV-SJORKVTESA-N 1 0 300.446 4.261 20 30 DIEDRO C=C(Cl)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001459756049 1062365596 /nfs/dbraw/zinc/36/55/96/1062365596.db2.gz ZUMOPAIMCQGTHT-UHFFFAOYSA-N 1 0 307.821 4.303 20 30 DIEDRO C=CC[N@@H+]([C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(C)(C)C ZINC001255248906 1062366149 /nfs/dbraw/zinc/36/61/49/1062366149.db2.gz OQWWZIWRVRNDSR-MUJYYYPQSA-N 1 0 322.493 4.203 20 30 DIEDRO CC(C)C[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001459771746 1062385651 /nfs/dbraw/zinc/38/56/51/1062385651.db2.gz LKMCKLJQFXIWBN-SFHVURJKSA-N 1 0 300.446 4.085 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001474660991 1062392287 /nfs/dbraw/zinc/39/22/87/1062392287.db2.gz ZMDATHAAOBBCOI-UHFFFAOYSA-N 1 0 324.509 4.262 20 30 DIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H](C)CCCC)CC2 ZINC001255323577 1062398523 /nfs/dbraw/zinc/39/85/23/1062398523.db2.gz TUTRFZRLANWZIL-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCOCC[N@H+]1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC001459788476 1062399876 /nfs/dbraw/zinc/39/98/76/1062399876.db2.gz UADWVFXZFATSKU-GCJKJVERSA-N 1 0 321.464 4.268 20 30 DIEDRO C=CC[C@@H](C)[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC001459799004 1062408072 /nfs/dbraw/zinc/40/80/72/1062408072.db2.gz YDEQHTWMCHGOPU-QGZVFWFLSA-N 1 0 318.464 4.339 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(C(F)F)c2)cc1 ZINC001255361165 1062414210 /nfs/dbraw/zinc/41/42/10/1062414210.db2.gz SPFABRAXOHWTBA-UHFFFAOYSA-N 1 0 315.363 4.316 20 30 DIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)cc2C)c1 ZINC001459814379 1062419095 /nfs/dbraw/zinc/41/90/95/1062419095.db2.gz NJGGSNZAQJIKNN-VFNWGFHPSA-N 1 0 320.436 4.458 20 30 DIEDRO C[C@H]([NH2+]Cc1cc2c(ccnc2Cl)o1)c1cccc(C#N)c1 ZINC001474706718 1062431361 /nfs/dbraw/zinc/43/13/61/1062431361.db2.gz JSCCWXSKAZVVKD-NSHDSACASA-N 1 0 311.772 4.204 20 30 DIEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001459839341 1062438676 /nfs/dbraw/zinc/43/86/76/1062438676.db2.gz HDSCCBZQVLRIRN-JKSUJKDBSA-N 1 0 303.446 4.183 20 30 DIEDRO N#CC1CCC(C[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)CC1 ZINC001459838776 1062439191 /nfs/dbraw/zinc/43/91/91/1062439191.db2.gz SDNLQLIFXIHIQG-PWGQDJSOSA-N 1 0 304.384 4.335 20 30 DIEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 ZINC001474713207 1062439867 /nfs/dbraw/zinc/43/98/67/1062439867.db2.gz RLVKMVYLKVBNLU-XCDZQEORSA-N 1 0 309.494 4.074 20 30 DIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(Cl)cc1 ZINC001474716294 1062442414 /nfs/dbraw/zinc/44/24/14/1062442414.db2.gz HVIZQESXERQQHQ-UHFFFAOYSA-N 1 0 312.844 4.365 20 30 DIEDRO Cc1ccccc1[C@H]([NH2+]CCO[C@H](C)C#N)[C@H]1CCC[C@H](C)C1 ZINC001459851809 1062450369 /nfs/dbraw/zinc/45/03/69/1062450369.db2.gz SPCHUCKGLBCOEW-ZNWBIBPKSA-N 1 0 314.473 4.381 20 30 DIEDRO CCCCCCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC001459867779 1062460275 /nfs/dbraw/zinc/46/02/75/1062460275.db2.gz MLFURTOKOWZQNX-INIZCTEOSA-N 1 0 302.462 4.434 20 30 DIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(C#N)cc2C)cc1 ZINC001459872323 1062462505 /nfs/dbraw/zinc/46/25/05/1062462505.db2.gz FQISBJYAKXVCJJ-MRXNPFEDSA-N 1 0 322.452 4.186 20 30 DIEDRO N#CCC1(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)CC1 ZINC001459882134 1062467994 /nfs/dbraw/zinc/46/79/94/1062467994.db2.gz GWTRSTQVGXMUKW-IBGZPJMESA-N 1 0 308.400 4.393 20 30 DIEDRO FC[C@@H]1C[N@@H+](C2CCC(C(F)(F)F)CC2)C[C@H]1C(F)(F)F ZINC001255514007 1062470184 /nfs/dbraw/zinc/47/01/84/1062470184.db2.gz CFECMSUICNRTTN-AGVGLQIMSA-N 1 0 321.280 4.187 20 30 DIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1ccc(-c2ccccc2)cc1 ZINC001459886389 1062472596 /nfs/dbraw/zinc/47/25/96/1062472596.db2.gz XGSMLSMBADVKOW-INIZCTEOSA-N 1 0 313.404 4.471 20 30 DIEDRO C[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1cc2ccccc2s1 ZINC001459954805 1062521420 /nfs/dbraw/zinc/52/14/20/1062521420.db2.gz AUUHWXZWGWXEAB-GUYCJALGSA-N 1 0 322.433 4.157 20 30 DIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(F)c(F)c1 ZINC001459980372 1062541853 /nfs/dbraw/zinc/54/18/53/1062541853.db2.gz OBDNFNGFMFBSBY-GLFJAGTFSA-N 1 0 307.384 4.129 20 30 DIEDRO Cc1ccc(SC[C@@H](C)[NH2+]Cc2csc(C#N)c2)cc1 ZINC001255755606 1062575715 /nfs/dbraw/zinc/57/57/15/1062575715.db2.gz BQKYTCNFDXGBJC-CYBMUJFWSA-N 1 0 302.468 4.199 20 30 DIEDRO COC[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC001460024344 1062578759 /nfs/dbraw/zinc/57/87/59/1062578759.db2.gz IQAOPUTXCVOCDD-QGZVFWFLSA-N 1 0 320.864 4.481 20 30 DIEDRO Cc1ccc(C[C@H](C)NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001255780408 1062603089 /nfs/dbraw/zinc/60/30/89/1062603089.db2.gz NHCOIBYWADYUFX-HNNXBMFYSA-N 1 0 318.420 4.190 20 30 DIEDRO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1F ZINC001460066279 1062611881 /nfs/dbraw/zinc/61/18/81/1062611881.db2.gz CAEMCLFMDIGEJK-QKNQBKEWSA-N 1 0 320.411 4.465 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C1(C)C ZINC001460071337 1062615072 /nfs/dbraw/zinc/61/50/72/1062615072.db2.gz AITDFHHKTNUFGN-MOPGFXCFSA-N 1 0 314.473 4.249 20 30 DIEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001460081051 1062620450 /nfs/dbraw/zinc/62/04/50/1062620450.db2.gz PDNSCNMVVDNKGA-ATCWAGBWSA-N 1 0 310.363 4.491 20 30 DIEDRO CCCCO[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1(C)C ZINC001460081396 1062622635 /nfs/dbraw/zinc/62/26/35/1062622635.db2.gz YFSZRIWDNSOCDG-MSOLQXFVSA-N 1 0 319.876 4.265 20 30 DIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1CCC(C)(C)CC1 ZINC001460084346 1062625128 /nfs/dbraw/zinc/62/51/28/1062625128.db2.gz ASZFUOVVQAXUSA-UHFFFAOYSA-N 1 0 305.462 4.366 20 30 DIEDRO C=C(C)C[N@@H+](CCCCOC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC001460089511 1062628821 /nfs/dbraw/zinc/62/88/21/1062628821.db2.gz ICAALZYOVKXQBJ-UHFFFAOYSA-N 1 0 321.509 4.437 20 30 DIEDRO C=CCCCC[NH+]1CCN(c2ccc(CC)c(Cl)c2)CC1 ZINC001460091348 1062630921 /nfs/dbraw/zinc/63/09/21/1062630921.db2.gz YRHLMAKKOUPFOZ-UHFFFAOYSA-N 1 0 306.881 4.381 20 30 DIEDRO CCCCCCCC[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001460148651 1062666478 /nfs/dbraw/zinc/66/64/78/1062666478.db2.gz PNQGVXAVGNBXHJ-CALCHBBNSA-N 1 0 310.526 4.314 20 30 DIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1Cl ZINC001460151090 1062667128 /nfs/dbraw/zinc/66/71/28/1062667128.db2.gz LILHTFORDQWMGT-AWEZNQCLSA-N 1 0 314.816 4.331 20 30 DIEDRO C=CCOc1ccccc1[C@@H](C)N[C@@H](C)CC[NH+](CC)CC ZINC001255950276 1062670466 /nfs/dbraw/zinc/67/04/66/1062670466.db2.gz GSCFOTCUQNRTCF-DLBZAZTESA-N 1 0 304.478 4.022 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)N[C@H](C)CC[NH+](CC)CC ZINC001255950279 1062670636 /nfs/dbraw/zinc/67/06/36/1062670636.db2.gz GSCFOTCUQNRTCF-SJORKVTESA-N 1 0 304.478 4.022 20 30 DIEDRO CC(C)(C)OC(=O)CCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC001460156230 1062670787 /nfs/dbraw/zinc/67/07/87/1062670787.db2.gz AVIPZBBNUKCANS-KRWDZBQOSA-N 1 0 316.445 4.133 20 30 DIEDRO N#CC1(CC[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)CCCCC1 ZINC001460173660 1062679670 /nfs/dbraw/zinc/67/96/70/1062679670.db2.gz TYXBABMQZHMONC-NRFANRHFSA-N 1 0 324.468 4.320 20 30 DIEDRO CCCN(CC[NH+]1CCCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC001460181985 1062685288 /nfs/dbraw/zinc/68/52/88/1062685288.db2.gz UNBLEGODKVDGQZ-GOSISDBHSA-N 1 0 313.489 4.207 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001256107791 1062708234 /nfs/dbraw/zinc/70/82/34/1062708234.db2.gz UVZXJFQFTJRPFX-SFTDATJTSA-N 1 0 304.437 4.417 20 30 DIEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001460257454 1062733713 /nfs/dbraw/zinc/73/37/13/1062733713.db2.gz LJMYXOHUWWOKGV-FQEVSTJZSA-N 1 0 320.436 4.357 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCOC1CCCCCC1 ZINC001460275932 1062748516 /nfs/dbraw/zinc/74/85/16/1062748516.db2.gz FFLANDYHAQDBIS-MRXNPFEDSA-N 1 0 300.446 4.290 20 30 DIEDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001460291045 1062762700 /nfs/dbraw/zinc/76/27/00/1062762700.db2.gz UNHMPOIEJJPTKC-GOSISDBHSA-N 1 0 314.429 4.356 20 30 DIEDRO Cc1ccc(C[N@@H+](Cc2c(C)cc(C#N)cc2C)CC2CC2)cn1 ZINC001460292322 1062766540 /nfs/dbraw/zinc/76/65/40/1062766540.db2.gz PHEGGBAAAOLDNO-UHFFFAOYSA-N 1 0 319.452 4.291 20 30 DIEDRO CCCC[N@H+](CCC#N)C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256312252 1062774741 /nfs/dbraw/zinc/77/47/41/1062774741.db2.gz HRAQBXAPINVKCB-UHFFFAOYSA-N 1 0 319.880 4.325 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001460334158 1062786738 /nfs/dbraw/zinc/78/67/38/1062786738.db2.gz OANZQWMVQIOYBK-GJZGRUSLSA-N 1 0 308.400 4.420 20 30 DIEDRO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCc2ccccc21 ZINC001460337404 1062789851 /nfs/dbraw/zinc/78/98/51/1062789851.db2.gz BENBZVQJVXLDEW-MRXNPFEDSA-N 1 0 309.840 4.353 20 30 DIEDRO CCCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001460347309 1062798784 /nfs/dbraw/zinc/79/87/84/1062798784.db2.gz WQSVROHURKQTCU-HZPDHXFCSA-N 1 0 312.498 4.334 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001460362695 1062806060 /nfs/dbraw/zinc/80/60/60/1062806060.db2.gz NXNGGCBROFSUNC-AWEZNQCLSA-N 1 0 313.363 4.416 20 30 DIEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC001460360907 1062809921 /nfs/dbraw/zinc/80/99/21/1062809921.db2.gz JZIRPZAJTVPGPW-GOSISDBHSA-N 1 0 322.452 4.449 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)OC)c1Cl ZINC001460411598 1062838865 /nfs/dbraw/zinc/83/88/65/1062838865.db2.gz RGZANNHEFIXRGZ-XJKSGUPXSA-N 1 0 321.848 4.351 20 30 DIEDRO C[C@H](CCC#N)[NH+]1CCC(Cc2nc(C(C)(C)C)cs2)CC1 ZINC001460409389 1062839114 /nfs/dbraw/zinc/83/91/14/1062839114.db2.gz MVILIHQJJZWATF-CQSZACIVSA-N 1 0 319.518 4.387 20 30 DIEDRO CC(C)([NH2+]Cc1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC001460406707 1062839863 /nfs/dbraw/zinc/83/98/63/1062839863.db2.gz IMCKZYUNQXHMQC-UHFFFAOYSA-N 1 0 302.780 4.376 20 30 DIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)oc2cc(C)ccc12 ZINC001460414689 1062845373 /nfs/dbraw/zinc/84/53/73/1062845373.db2.gz YQYQXBKLKDBCRX-MAUKXSAKSA-N 1 0 311.425 4.326 20 30 DIEDRO C=CCC1([NH2+]Cc2ccc3oc(C(=O)OC)cc3c2)CCCC1 ZINC001460442872 1062863180 /nfs/dbraw/zinc/86/31/80/1062863180.db2.gz HGVSIZFCQPCLRC-UHFFFAOYSA-N 1 0 313.397 4.198 20 30 DIEDRO CCCCN(CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256549267 1062866520 /nfs/dbraw/zinc/86/65/20/1062866520.db2.gz GBSHVMCEVLRZKZ-ICSRJNTNSA-N 1 0 313.489 4.055 20 30 DIEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001460483246 1062878380 /nfs/dbraw/zinc/87/83/80/1062878380.db2.gz RXMUTLWOFFTDAA-SWLSCSKDSA-N 1 0 321.262 4.474 20 30 DIEDRO C=CCOc1ccccc1[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC001256563917 1062888567 /nfs/dbraw/zinc/88/85/67/1062888567.db2.gz KWHJXZSVOAQHCP-INIZCTEOSA-N 1 0 316.489 4.165 20 30 DIEDRO CCCCCCCC[N@@H+]1CCN[C@@H](c2cccc(OC)c2)C1 ZINC001460664782 1062972025 /nfs/dbraw/zinc/97/20/25/1062972025.db2.gz IPFNGAGFDHUWNA-LJQANCHMSA-N 1 0 304.478 4.002 20 30 DIEDRO CC(C)([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC001256785547 1062977033 /nfs/dbraw/zinc/97/70/33/1062977033.db2.gz GPHRQGYEROMDKZ-WOJBJXKFSA-N 1 0 320.436 4.303 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[NH2+]C1(CC#N)CCCC1 ZINC001256838784 1063010738 /nfs/dbraw/zinc/01/07/38/1063010738.db2.gz SBVVNRYMHNROQC-ZDUSSCGKSA-N 1 0 321.262 4.196 20 30 DIEDRO C[C@@H](Cc1ccccc1Br)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001256845168 1063014452 /nfs/dbraw/zinc/01/44/52/1063014452.db2.gz VMIONCFTCJTEPB-KBPBESRZSA-N 1 0 321.262 4.006 20 30 DIEDRO CCC[N@H+](CCC#N)[C@@H](C)Cc1ccccc1Br ZINC001256844090 1063013058 /nfs/dbraw/zinc/01/30/58/1063013058.db2.gz LYRKRTMGQXCKGQ-ZDUSSCGKSA-N 1 0 309.251 4.006 20 30 DIEDRO C[C@H](Cc1ccccc1Br)[NH+]1CCC(CC#N)CC1 ZINC001256845464 1063013940 /nfs/dbraw/zinc/01/39/40/1063013940.db2.gz ZGVXOMUVRFKZQT-CYBMUJFWSA-N 1 0 321.262 4.006 20 30 DIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001460748087 1063037878 /nfs/dbraw/zinc/03/78/78/1063037878.db2.gz KOBITXMBDFQNRU-MRXNPFEDSA-N 1 0 318.420 4.437 20 30 DIEDRO C[C@H]([NH2+]CCc1nsc2ccccc21)c1cccc(C#N)c1 ZINC001460749944 1063038371 /nfs/dbraw/zinc/03/83/71/1063038371.db2.gz UZEQUVICXSPUHM-ZDUSSCGKSA-N 1 0 307.422 4.061 20 30 DIEDRO Cc1cc(C#N)ccc1C[NH2+]C(C)(C)c1ccc(F)cc1F ZINC001460779642 1063054605 /nfs/dbraw/zinc/05/46/05/1063054605.db2.gz USMUOFUXKCSXML-UHFFFAOYSA-N 1 0 300.352 4.170 20 30 DIEDRO CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1C1CCC(C#N)CC1 ZINC001256959731 1063058552 /nfs/dbraw/zinc/05/85/52/1063058552.db2.gz RMVUNLOKXPJTQK-UYSNPLJNSA-N 1 0 310.445 4.337 20 30 DIEDRO N#CC1CCC([NH2+]CCc2cc(C(F)(F)F)ccc2F)CC1 ZINC001256958632 1063059578 /nfs/dbraw/zinc/05/95/78/1063059578.db2.gz KVHPLTGPFCFCJM-UHFFFAOYSA-N 1 0 314.326 4.059 20 30 DIEDRO N#CC1CCC(n2cc(CC[NH3+])c3c2cccc3Cl)CC1 ZINC001256963757 1063060654 /nfs/dbraw/zinc/06/06/54/1063060654.db2.gz OHIZOVFHIBGBGD-UHFFFAOYSA-N 1 0 301.821 4.051 20 30 DIEDRO N#CC1CCC([NH2+]CC2(Cc3ccc(F)cc3)CCC2)CC1 ZINC001256963237 1063061054 /nfs/dbraw/zinc/06/10/54/1063061054.db2.gz FJSJSJYDMBFIRD-UHFFFAOYSA-N 1 0 300.421 4.210 20 30 DIEDRO COc1ccc(CC2(C[NH2+]C3CCC(C#N)CC3)CCC2)cc1 ZINC001256962301 1063061079 /nfs/dbraw/zinc/06/10/79/1063061079.db2.gz GSYISRGZWHXXDG-UHFFFAOYSA-N 1 0 312.457 4.080 20 30 DIEDRO N#CC1CCC([NH2+]CC2(Cc3ccccc3F)CCC2)CC1 ZINC001256960004 1063061337 /nfs/dbraw/zinc/06/13/37/1063061337.db2.gz DIXKCMJAAHPQRH-UHFFFAOYSA-N 1 0 300.421 4.210 20 30 DIEDRO Cc1cc(C[N@H+](Cc2ccccc2)C2CCC(C#N)CC2)on1 ZINC001256973284 1063063756 /nfs/dbraw/zinc/06/37/56/1063063756.db2.gz NPGLIONXNASAMT-UHFFFAOYSA-N 1 0 309.413 4.068 20 30 DIEDRO CCCCCCCCC[NH+]1CCC(CN=S(C)(C)=O)CC1 ZINC001460806457 1063070354 /nfs/dbraw/zinc/07/03/54/1063070354.db2.gz HHNGIHSNYZZRNS-UHFFFAOYSA-N 1 0 316.555 4.177 20 30 DIEDRO C#CC[N@@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C(C)(C)C ZINC001460808374 1063071029 /nfs/dbraw/zinc/07/10/29/1063071029.db2.gz RSYMNEQRAGWQBV-UHFFFAOYSA-N 1 0 314.473 4.064 20 30 DIEDRO Cc1cnccc1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257007540 1063074626 /nfs/dbraw/zinc/07/46/26/1063074626.db2.gz APAFUZRZROKDPO-UHFFFAOYSA-N 1 0 305.425 4.078 20 30 DIEDRO Cc1ncccc1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257009557 1063076941 /nfs/dbraw/zinc/07/69/41/1063076941.db2.gz MFBWZHKREQHAFL-UHFFFAOYSA-N 1 0 305.425 4.078 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+]CCc3ccsc3)CC2)cc1 ZINC001257010698 1063077743 /nfs/dbraw/zinc/07/77/43/1063077743.db2.gz FTHVDAMCHOTIBA-UHFFFAOYSA-N 1 0 310.466 4.478 20 30 DIEDRO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC001257010147 1063078516 /nfs/dbraw/zinc/07/85/16/1063078516.db2.gz TUWCFIINCPLWIE-OFLPRAFFSA-N 1 0 304.384 4.362 20 30 DIEDRO N#Cc1ccc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC001257012654 1063079611 /nfs/dbraw/zinc/07/96/11/1063079611.db2.gz MQHLYHMETOLNJY-UHFFFAOYSA-N 1 0 321.449 4.307 20 30 DIEDRO CC1(F)CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257017190 1063079755 /nfs/dbraw/zinc/07/97/55/1063079755.db2.gz QJRDXCJCRHJWDZ-UHFFFAOYSA-N 1 0 300.421 4.408 20 30 DIEDRO CO[C@@H]1CCC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257018684 1063083179 /nfs/dbraw/zinc/08/31/79/1063083179.db2.gz BBZRQTIFGAQOMY-SOAGJPPSSA-N 1 0 312.457 4.085 20 30 DIEDRO CO[C@H]1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC001257021845 1063083218 /nfs/dbraw/zinc/08/32/18/1063083218.db2.gz CPCYPEWMDZMBGD-FFZSDIPESA-N 1 0 312.457 4.084 20 30 DIEDRO CCCCOC1C[NH+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257021602 1063085018 /nfs/dbraw/zinc/08/50/18/1063085018.db2.gz XXUXDSVUNWNXLD-UHFFFAOYSA-N 1 0 312.457 4.085 20 30 DIEDRO N#Cc1ccc(C2CCC([NH+]3CCC(CF)CC3)CC2)cc1 ZINC001257020781 1063085300 /nfs/dbraw/zinc/08/53/00/1063085300.db2.gz IMFUSNNLDJGQFT-UHFFFAOYSA-N 1 0 300.421 4.266 20 30 DIEDRO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@H](CF)C3)CC2)cc1 ZINC001257020119 1063085483 /nfs/dbraw/zinc/08/54/83/1063085483.db2.gz AIZNJYUHOODHDL-IPJUCJBFSA-N 1 0 300.421 4.266 20 30 DIEDRO CC(C)O[C@H]1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257018704 1063086661 /nfs/dbraw/zinc/08/66/61/1063086661.db2.gz BZWLAACGDIDSOC-MHJFOBGBSA-N 1 0 312.457 4.084 20 30 DIEDRO C[N@H+](CCSc1ccc(Cl)cc1)Cc1cc(C#N)cs1 ZINC001460846651 1063096694 /nfs/dbraw/zinc/09/66/94/1063096694.db2.gz FTYCHLROLUEYSQ-UHFFFAOYSA-N 1 0 322.886 4.497 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460886541 1063114643 /nfs/dbraw/zinc/11/46/43/1063114643.db2.gz NGAJJRGEDFZJKQ-IAGOWNOFSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460886538 1063115969 /nfs/dbraw/zinc/11/59/69/1063115969.db2.gz NGAJJRGEDFZJKQ-DLBZAZTESA-N 1 0 322.493 4.064 20 30 DIEDRO CC[NH+](CC)[C@@H](CNc1nc(C)c(C#N)cc1Cl)CC(C)C ZINC001472649986 1063120144 /nfs/dbraw/zinc/12/01/44/1063120144.db2.gz FBRJLPZZHUCEFJ-OAHLLOKOSA-N 1 0 322.884 4.084 20 30 DIEDRO C=CCCC[N@@H+](CC)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001460897411 1063122820 /nfs/dbraw/zinc/12/28/20/1063122820.db2.gz CTWSREWXZUKVQZ-OAHLLOKOSA-N 1 0 322.880 4.148 20 30 DIEDRO C=CC[NH+](CC=C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1 ZINC001257195126 1063134910 /nfs/dbraw/zinc/13/49/10/1063134910.db2.gz GWUTXIJZWKVNJQ-SJORKVTESA-N 1 0 322.493 4.085 20 30 DIEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257275364 1063176160 /nfs/dbraw/zinc/17/61/60/1063176160.db2.gz RVOLFINNHDZXQJ-DNVCBOLYSA-N 1 0 310.441 4.451 20 30 DIEDRO CC(C)[C@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)c1ccccc1 ZINC001461019595 1063195121 /nfs/dbraw/zinc/19/51/21/1063195121.db2.gz PXGPWLWSUURKJQ-FQEVSTJZSA-N 1 0 321.468 4.154 20 30 DIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1cc(C)c(C)cc1C)C(C)C ZINC001461036156 1063205484 /nfs/dbraw/zinc/20/54/84/1063205484.db2.gz QFUDWJLZYHCMLF-OAQYLSRUSA-N 1 0 314.517 4.400 20 30 DIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccc(C)cc1Cl)C(C)C ZINC001461036001 1063205789 /nfs/dbraw/zinc/20/57/89/1063205789.db2.gz OFBAKWNBRHINAX-IBGZPJMESA-N 1 0 320.908 4.437 20 30 DIEDRO CCC[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001257325336 1063209257 /nfs/dbraw/zinc/20/92/57/1063209257.db2.gz HVZQOBWWNHMDJP-CYBMUJFWSA-N 1 0 306.837 4.243 20 30 DIEDRO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C(CCC)CCC)CCO2 ZINC001257337137 1063216806 /nfs/dbraw/zinc/21/68/06/1063216806.db2.gz RFPZFCMRIRGWFN-PKOBYXMFSA-N 1 0 309.494 4.029 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H](C)CCCCCC)C2 ZINC001257365643 1063229787 /nfs/dbraw/zinc/22/97/87/1063229787.db2.gz NOFFNKJDZHTDKN-UYAOXDASSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)CCCCCC)C2 ZINC001257369937 1063237566 /nfs/dbraw/zinc/23/75/66/1063237566.db2.gz XLFQGBCEJAQLKT-GBESFXJTSA-N 1 0 309.494 4.171 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H](CC)CCCC)C2 ZINC001257418435 1063264295 /nfs/dbraw/zinc/26/42/95/1063264295.db2.gz CWHPOEPFOMVKAZ-IPMKNSEASA-N 1 0 309.494 4.029 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](CC)CCCC)[C@H]2CC ZINC001257420339 1063265761 /nfs/dbraw/zinc/26/57/61/1063265761.db2.gz LCYXATAMWFPMHW-BJLQDIEVSA-N 1 0 320.521 4.377 20 30 DIEDRO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H](CC)CCCC)CCO2 ZINC001257423340 1063271399 /nfs/dbraw/zinc/27/13/99/1063271399.db2.gz OYPWJKLVKNOFNO-GUDVDZBRSA-N 1 0 309.494 4.029 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC(C)(C)c2ccccc2C)cc1 ZINC001461136228 1063285991 /nfs/dbraw/zinc/28/59/91/1063285991.db2.gz HZMBTTKASJEQTA-UHFFFAOYSA-N 1 0 321.464 4.465 20 30 DIEDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001461177878 1063314548 /nfs/dbraw/zinc/31/45/48/1063314548.db2.gz QRGYEJJHNGDWIE-AEFFLSMTSA-N 1 0 300.446 4.283 20 30 DIEDRO CCCCCCCCCC[C@H](C)[NH2+]C[C@H]1CCN(C(C)=O)C1 ZINC001257549697 1063329123 /nfs/dbraw/zinc/32/91/23/1063329123.db2.gz CFIJBRRYLHIGLF-PKOBYXMFSA-N 1 0 310.526 4.364 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001257550436 1063331322 /nfs/dbraw/zinc/33/13/22/1063331322.db2.gz OFASUKUSVZVDKB-IEBWSBKVSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001257550435 1063331464 /nfs/dbraw/zinc/33/14/64/1063331464.db2.gz OFASUKUSVZVDKB-HKUYNNGSSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCCC[C@@H](C)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001257550264 1063332729 /nfs/dbraw/zinc/33/27/29/1063332729.db2.gz LRHWGKRPIUATCM-WOJBJXKFSA-N 1 0 324.553 4.312 20 30 DIEDRO CCCCCCCCCC[C@@H](C)n1[nH]c(=O)c(CC[NH3+])c1C ZINC001257550386 1063333453 /nfs/dbraw/zinc/33/34/53/1063333453.db2.gz NGYYKPFVPRGZHO-OAHLLOKOSA-N 1 0 309.498 4.490 20 30 DIEDRO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001257564333 1063338048 /nfs/dbraw/zinc/33/80/48/1063338048.db2.gz KYFAOANSLYJDJD-UKRRQHHQSA-N 1 0 321.262 4.006 20 30 DIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OC)cc1Cl)c1ccncc1 ZINC001461216096 1063341737 /nfs/dbraw/zinc/34/17/37/1063341737.db2.gz BGLFHSRQWJIFCJ-QGZVFWFLSA-N 1 0 302.805 4.151 20 30 DIEDRO C=CC[N@@H+](C1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)(C)C ZINC001257593549 1063347596 /nfs/dbraw/zinc/34/75/96/1063347596.db2.gz VVCCCRRAMCZOBS-GJZGRUSLSA-N 1 0 324.509 4.449 20 30 DIEDRO C=C(Cl)C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC001461232344 1063351246 /nfs/dbraw/zinc/35/12/46/1063351246.db2.gz OXWSIUNBEWCRET-UHFFFAOYSA-N 1 0 305.780 4.247 20 30 DIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)c(C)c1)Oc1ccccc1C ZINC001461259012 1063371794 /nfs/dbraw/zinc/37/17/94/1063371794.db2.gz WLHMLTHVMLZPLS-LJQANCHMSA-N 1 0 308.425 4.122 20 30 DIEDRO N#CCC1CC[NH+](C2CCC(OCc3ccccc3)CC2)CC1 ZINC001257833630 1063400770 /nfs/dbraw/zinc/40/07/70/1063400770.db2.gz ZIVJKPDQZOWIAA-UHFFFAOYSA-N 1 0 312.457 4.140 20 30 DIEDRO CC[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC001473117590 1063418237 /nfs/dbraw/zinc/41/82/37/1063418237.db2.gz LZGNEZISNADGMD-FVJLSDCUSA-N 1 0 322.452 4.106 20 30 DIEDRO C=C1C[C@@H]2CC(n3c4cc(Cl)ccc4nc3C[NH3+])C[C@H](C1)C2 ZINC001257887057 1063425157 /nfs/dbraw/zinc/42/51/57/1063425157.db2.gz UHSZZQGRBVLVLA-NNQSOWQGSA-N 1 0 315.848 4.456 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3cncc(C(F)(F)F)c3)C[C@H](C1)C2 ZINC001257887555 1063425841 /nfs/dbraw/zinc/42/58/41/1063425841.db2.gz DFFQSPVZCDRNNC-OCZCAGDBSA-N 1 0 310.363 4.325 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H]3CC[C@H](CC(=O)OCC)CC3)C[C@H](C1)C2 ZINC001257887524 1063426047 /nfs/dbraw/zinc/42/60/47/1063426047.db2.gz CFDUBAOZTZDANE-PVTCGPCQSA-N 1 0 319.489 4.223 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C3([C@H]4CCOC(C)(C)C4)CC3)C[C@H](C1)C2 ZINC001257889891 1063427338 /nfs/dbraw/zinc/42/73/38/1063427338.db2.gz MURPEDYBZRPWOM-KTGAGVNESA-N 1 0 303.490 4.449 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H](CO)c3ccc(Cl)cc3)C[C@H](C1)C2 ZINC001257889945 1063427365 /nfs/dbraw/zinc/42/73/65/1063427365.db2.gz ORVFNWWSNAJDLV-JNUZOFDASA-N 1 0 319.876 4.140 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](c3ccccc3)c3cccnn3)C[C@H](C1)C2 ZINC001257890365 1063427900 /nfs/dbraw/zinc/42/79/00/1063427900.db2.gz VTFAQDNTNAUEEW-SAQKXASNSA-N 1 0 319.452 4.291 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]CC(C)(C)c3ncccc3OC)C[C@H](C1)C2 ZINC001257890470 1063428013 /nfs/dbraw/zinc/42/80/13/1063428013.db2.gz NQSNHOWCFUZPAD-SJPCQFCGSA-N 1 0 314.473 4.092 20 30 DIEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](OC(=O)OC(C)(C)C)C3)C[C@H](C1)C2 ZINC001257891375 1063428100 /nfs/dbraw/zinc/42/81/00/1063428100.db2.gz HOOSVARKQDMVQC-FCLJQHQZSA-N 1 0 321.461 4.147 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ccnc(C(F)(F)F)c3)C[C@H](C1)C2 ZINC001257889854 1063428175 /nfs/dbraw/zinc/42/81/75/1063428175.db2.gz LDYSBVUHIQVVOU-YIONKMFJSA-N 1 0 310.363 4.325 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@H](c3cncc(F)c3)C3CC3)C[C@H](C1)C2 ZINC001257890675 1063428405 /nfs/dbraw/zinc/42/84/05/1063428405.db2.gz UXNZARPSZDAVPG-JSAQVEJNSA-N 1 0 300.421 4.396 20 30 DIEDRO C=C1C[C@@H]2CC([NH2+][C@@H](c3cncc(OC)c3)C3CC3)C[C@H](C1)C2 ZINC001257889716 1063428836 /nfs/dbraw/zinc/42/88/36/1063428836.db2.gz ISUBRDRTHRDFFX-JBLULZNDSA-N 1 0 312.457 4.266 20 30 DIEDRO C=C1C[C@@H]2CC([N@H+]3CCc4nc(Cl)ccc4C3)C[C@H](C1)C2 ZINC001257892826 1063430668 /nfs/dbraw/zinc/43/06/68/1063430668.db2.gz GHCKXDHLFVKAHU-MZBDJJRSSA-N 1 0 302.849 4.228 20 30 DIEDRO CCCCCCCCc1nnc(CC[NH+]2CCC(C)CC2)o1 ZINC001257896866 1063431635 /nfs/dbraw/zinc/43/16/35/1063431635.db2.gz FYOZZFFABHMWBG-UHFFFAOYSA-N 1 0 307.482 4.247 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Br)cs1)C1CCCCC1 ZINC001473137357 1063443695 /nfs/dbraw/zinc/44/36/95/1063443695.db2.gz PDCJVFQXGWVJFT-UHFFFAOYSA-N 1 0 312.276 4.279 20 30 DIEDRO N#Cc1ccc(CC[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC001257989134 1063450475 /nfs/dbraw/zinc/45/04/75/1063450475.db2.gz JHHPOTIWFXJWHG-UHFFFAOYSA-N 1 0 304.437 4.417 20 30 DIEDRO C[C@H](C[N@H+](C)CCCOc1cccc(C#N)c1)c1ccccc1 ZINC001473146899 1063453711 /nfs/dbraw/zinc/45/37/11/1063453711.db2.gz SYIRBZVTBOVRBS-QGZVFWFLSA-N 1 0 308.425 4.063 20 30 DIEDRO N#Cc1cccc(OCC[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC001257994788 1063455728 /nfs/dbraw/zinc/45/57/28/1063455728.db2.gz WISWCRLVCPXBKQ-UHFFFAOYSA-N 1 0 320.436 4.253 20 30 DIEDRO C=CCCCCC[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001473156687 1063458699 /nfs/dbraw/zinc/45/86/99/1063458699.db2.gz JJYIWUOXBJLZKJ-GOSISDBHSA-N 1 0 316.489 4.120 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001461384950 1063464889 /nfs/dbraw/zinc/46/48/89/1063464889.db2.gz DGUWUVYYCOUIRG-CRAIPNDOSA-N 1 0 315.457 4.476 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC001461384185 1063465331 /nfs/dbraw/zinc/46/53/31/1063465331.db2.gz AZXYFTDUWHIENN-SFHVURJKSA-N 1 0 311.812 4.325 20 30 DIEDRO CC(C)C[NH+]1CCC(N(CCC#N)C2CCCCCCC2)CC1 ZINC001258014423 1063466529 /nfs/dbraw/zinc/46/65/29/1063466529.db2.gz JWTHRPRORHYVAJ-UHFFFAOYSA-N 1 0 319.537 4.435 20 30 DIEDRO C=CCC[N@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC001473160539 1063466909 /nfs/dbraw/zinc/46/69/09/1063466909.db2.gz UHABTHJSZQQGOO-UHFFFAOYSA-N 1 0 311.425 4.152 20 30 DIEDRO C=CC[C@@H]([NH2+]C1CCC(CC(=O)OCC)CC1)c1ccccc1 ZINC001258030307 1063469630 /nfs/dbraw/zinc/46/96/30/1063469630.db2.gz HFBDLAIRSJDMQB-NKELODKYSA-N 1 0 315.457 4.405 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001258040702 1063472346 /nfs/dbraw/zinc/47/23/46/1063472346.db2.gz GXJVUSBRBULLOC-SFHVURJKSA-N 1 0 324.553 4.216 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc(C(=O)OCC)ccn1 ZINC001258038609 1063472612 /nfs/dbraw/zinc/47/26/12/1063472612.db2.gz AKOKYOGASSHNHV-OAHLLOKOSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc(C(=O)OCC)ccn1 ZINC001258038608 1063472914 /nfs/dbraw/zinc/47/29/14/1063472914.db2.gz AKOKYOGASSHNHV-HNNXBMFYSA-N 1 0 306.450 4.097 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC001258041626 1063474324 /nfs/dbraw/zinc/47/43/24/1063474324.db2.gz XUAKSXOYTKYNAR-MRXNPFEDSA-N 1 0 300.450 4.106 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccnc(OC2CCC2)n1 ZINC001258042814 1063474496 /nfs/dbraw/zinc/47/44/96/1063474496.db2.gz BCZFFIRXRBVVKT-OAHLLOKOSA-N 1 0 305.466 4.247 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cncn1C1CCOCC1 ZINC001258042960 1063474540 /nfs/dbraw/zinc/47/45/40/1063474540.db2.gz FSBKSYOLRUMZIQ-INIZCTEOSA-N 1 0 307.482 4.073 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc(OC2CCC2)ncn1 ZINC001258043118 1063474566 /nfs/dbraw/zinc/47/45/66/1063474566.db2.gz JFRLPOASVGPLTM-OAHLLOKOSA-N 1 0 305.466 4.247 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)C1 ZINC001461403140 1063475103 /nfs/dbraw/zinc/47/51/03/1063475103.db2.gz VHAVINYHJPHFAY-BRWVUGGUSA-N 1 0 302.437 4.129 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccccc1N1CCOCC1 ZINC001258042125 1063475351 /nfs/dbraw/zinc/47/53/51/1063475351.db2.gz HKDBNXHVARDZMW-SFHVURJKSA-N 1 0 318.505 4.362 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001258042587 1063475377 /nfs/dbraw/zinc/47/53/77/1063475377.db2.gz QTEILIQXQALRFT-GOSISDBHSA-N 1 0 318.505 4.362 20 30 DIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC001258041361 1063476007 /nfs/dbraw/zinc/47/60/07/1063476007.db2.gz RZLLIKXSZUUCJT-CYBMUJFWSA-N 1 0 305.388 4.284 20 30 DIEDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1(C)C ZINC001461405304 1063476886 /nfs/dbraw/zinc/47/68/86/1063476886.db2.gz BPZLOMLVVJIWMP-ZWKOTPCHSA-N 1 0 314.473 4.169 20 30 DIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cncnc1C(F)(F)F ZINC001258044184 1063477967 /nfs/dbraw/zinc/47/79/67/1063477967.db2.gz YMGNABVKNUTKPH-LBPRGKRZSA-N 1 0 303.372 4.334 20 30 DIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@@H](C)CCCCCCC)C2)C1=O ZINC001258043679 1063478126 /nfs/dbraw/zinc/47/81/26/1063478126.db2.gz FKNYNWMXDBNHTL-ICSRJNTNSA-N 1 0 320.521 4.236 20 30 DIEDRO CCCCCCC[C@@H](C)n1nc(COCC2CC2)c2c1C[NH2+]C2 ZINC001258043711 1063478419 /nfs/dbraw/zinc/47/84/19/1063478419.db2.gz FTLCPZSFCZGIPL-OAHLLOKOSA-N 1 0 319.493 4.334 20 30 DIEDRO CCCCCCC[C@H](C)[N@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001258047510 1063479136 /nfs/dbraw/zinc/47/91/36/1063479136.db2.gz LICBDBDPXASJPV-ROUUACIJSA-N 1 0 321.509 4.100 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CCN(C(C)C)C2=O)CC1 ZINC001258050164 1063480824 /nfs/dbraw/zinc/48/08/24/1063480824.db2.gz RGVHQBVSUJMHNP-GOSISDBHSA-N 1 0 322.537 4.458 20 30 DIEDRO CCC[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001473176146 1063482280 /nfs/dbraw/zinc/48/22/80/1063482280.db2.gz SOSCKTVRGUGTDC-QZTJIDSGSA-N 1 0 318.436 4.113 20 30 DIEDRO CCCCCCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001258048947 1063483182 /nfs/dbraw/zinc/48/31/82/1063483182.db2.gz ZOYPCHBEKUFDKL-IPMKNSEASA-N 1 0 322.537 4.314 20 30 DIEDRO CCCCCCC[C@@H](C)[NH+]1CCC2(CC(=O)N(CC)C2)CC1 ZINC001258051363 1063485850 /nfs/dbraw/zinc/48/58/50/1063485850.db2.gz GFPHWVGUOHWYRF-QGZVFWFLSA-N 1 0 308.510 4.070 20 30 DIEDRO N#Cc1cc(C[NH2+]CC2(c3ccccc3Cl)CC2)cs1 ZINC001461417368 1063486060 /nfs/dbraw/zinc/48/60/60/1063486060.db2.gz NMPDRZDHFZJQHO-UHFFFAOYSA-N 1 0 302.830 4.095 20 30 DIEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC001473178726 1063486349 /nfs/dbraw/zinc/48/63/49/1063486349.db2.gz CKGYJMHJUIGLNI-CVEARBPZSA-N 1 0 319.876 4.405 20 30 DIEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC001461431737 1063498251 /nfs/dbraw/zinc/49/82/51/1063498251.db2.gz QOGLUTJJQHOQFT-HNAYVOBHSA-N 1 0 322.456 4.017 20 30 DIEDRO C[C@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC001461431741 1063498600 /nfs/dbraw/zinc/49/86/00/1063498600.db2.gz QOGLUTJJQHOQFT-KXBFYZLASA-N 1 0 322.456 4.017 20 30 DIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001461437713 1063506030 /nfs/dbraw/zinc/50/60/30/1063506030.db2.gz TWJHTWVKHZSPKD-LEWJYISDSA-N 1 0 319.448 4.200 20 30 DIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H](C)CCC=C(C)C)C2 ZINC001258091853 1063512856 /nfs/dbraw/zinc/51/28/56/1063512856.db2.gz BUXBCHFRJFSITH-XUVXKRRUSA-N 1 0 321.505 4.195 20 30 DIEDRO C[C@@H](CCc1ccccc1)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001461500232 1063541507 /nfs/dbraw/zinc/54/15/07/1063541507.db2.gz VATWVGQWKAHWPO-KRWDZBQOSA-N 1 0 304.437 4.406 20 30 DIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)cc1 ZINC001461513738 1063547363 /nfs/dbraw/zinc/54/73/63/1063547363.db2.gz NFTMDLPZGDMPAP-UHFFFAOYSA-N 1 0 323.342 4.496 20 30 DIEDRO CCCCCCCCC[C@@H](C)n1nc(COC)c2c1C[NH2+]C2 ZINC001258229247 1063568483 /nfs/dbraw/zinc/56/84/83/1063568483.db2.gz OSTQTIGOICIBSX-OAHLLOKOSA-N 1 0 307.482 4.334 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001258229966 1063568942 /nfs/dbraw/zinc/56/89/42/1063568942.db2.gz WEADPZDAWGRGLQ-IEBWSBKVSA-N 1 0 308.510 4.118 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001258232204 1063570490 /nfs/dbraw/zinc/57/04/90/1063570490.db2.gz CDJBOHKAFJQXIC-IAGOWNOFSA-N 1 0 317.539 4.025 20 30 DIEDRO CCCCCCCCC[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001258232380 1063570750 /nfs/dbraw/zinc/57/07/50/1063570750.db2.gz PNDGXNWBJJMBBD-GUDVDZBRSA-N 1 0 322.537 4.458 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH+]1CCN(CC(F)F)CC1 ZINC001258232304 1063571098 /nfs/dbraw/zinc/57/10/98/1063571098.db2.gz JIKTYHMLUAAZGU-INIZCTEOSA-N 1 0 304.469 4.398 20 30 DIEDRO CCCCCCCCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001258231852 1063571456 /nfs/dbraw/zinc/57/14/56/1063571456.db2.gz WAPJPABUYQMTEX-ROUUACIJSA-N 1 0 310.526 4.362 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001258232601 1063571755 /nfs/dbraw/zinc/57/17/55/1063571755.db2.gz XJAMUYVOSMEIHR-MRXNPFEDSA-N 1 0 310.482 4.090 20 30 DIEDRO CCCCCCCCC[C@@H](C)[NH2+]Cc1cncn1CCOC ZINC001258231597 1063571863 /nfs/dbraw/zinc/57/18/63/1063571863.db2.gz RDMXYBXDNXYJMR-QGZVFWFLSA-N 1 0 309.498 4.148 20 30 DIEDRO CCCCCCCCC[C@H](C)n1cnc(C[NH3+])c1C(=O)OCC ZINC001258230540 1063572413 /nfs/dbraw/zinc/57/24/13/1063572413.db2.gz XTSVYEUHCPECCS-HNNXBMFYSA-N 1 0 323.481 4.220 20 30 DIEDRO CCCCCCCCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001258232378 1063572727 /nfs/dbraw/zinc/57/27/27/1063572727.db2.gz PNDGXNWBJJMBBD-FHWLQOOXSA-N 1 0 322.537 4.458 20 30 DIEDRO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]CC(C)(C)S ZINC001258299540 1063595505 /nfs/dbraw/zinc/59/55/05/1063595505.db2.gz GXVRZWWYVWPNFO-LBPRGKRZSA-N 1 0 301.521 4.368 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H]2CC(C)C)cc1OC ZINC001461565647 1063581775 /nfs/dbraw/zinc/58/17/75/1063581775.db2.gz DBLWDTBDSPWHDW-GDBMZVCRSA-N 1 0 323.864 4.438 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC001461576090 1063588489 /nfs/dbraw/zinc/58/84/89/1063588489.db2.gz AVILFXGIJJGVKL-JKSUJKDBSA-N 1 0 317.860 4.268 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC001461576085 1063588907 /nfs/dbraw/zinc/58/89/07/1063588907.db2.gz AVILFXGIJJGVKL-CVEARBPZSA-N 1 0 317.860 4.268 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(OCCC(C)C)cc2)c1 ZINC001461579675 1063591337 /nfs/dbraw/zinc/59/13/37/1063591337.db2.gz ILCZZYGWFJESDR-UHFFFAOYSA-N 1 0 307.437 4.383 20 30 DIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)c1 ZINC001461584406 1063592883 /nfs/dbraw/zinc/59/28/83/1063592883.db2.gz YDXGMFVWQZFCEJ-UHFFFAOYSA-N 1 0 303.327 4.285 20 30 DIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c1 ZINC001461583485 1063594025 /nfs/dbraw/zinc/59/40/25/1063594025.db2.gz UITDGWLZCRQSAU-ICSRJNTNSA-N 1 0 312.457 4.285 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C1 ZINC001461596631 1063603708 /nfs/dbraw/zinc/60/37/08/1063603708.db2.gz VCCNUHFGXIIWPJ-BZUAXINKSA-N 1 0 303.471 4.264 20 30 DIEDRO COc1ccc(CC[C@@H](C)[NH2+]C23CCC(C#N)(CC2)CC3)cc1 ZINC001258392829 1063636124 /nfs/dbraw/zinc/63/61/24/1063636124.db2.gz GSFXRYMQGOPLMO-PBPGXSGUSA-N 1 0 312.457 4.222 20 30 DIEDRO C=CCC1([NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)CCCC1 ZINC001461649703 1063636104 /nfs/dbraw/zinc/63/61/04/1063636104.db2.gz XNEKVDDGSTTWNM-UHFFFAOYSA-N 1 0 300.377 4.058 20 30 DIEDRO C=CCOc1ccc(C[NH2+]C[C@H](OC)C2CCCC2)cc1Cl ZINC001461663886 1063644389 /nfs/dbraw/zinc/64/43/89/1063644389.db2.gz YVQAWZWPIQPCQF-SFHVURJKSA-N 1 0 323.864 4.200 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]C2(CC(C)C)CC2)ccc1OC ZINC001461667398 1063646910 /nfs/dbraw/zinc/64/69/10/1063646910.db2.gz WTDHUVXTUKJGPG-UHFFFAOYSA-N 1 0 303.446 4.318 20 30 DIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H](CC)CCCCC)CC2 ZINC001258441399 1063656204 /nfs/dbraw/zinc/65/62/04/1063656204.db2.gz KBJQSZOEVSHATL-UYAOXDASSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](CC)CCCCC)CC2 ZINC001258441397 1063656808 /nfs/dbraw/zinc/65/68/08/1063656808.db2.gz KBJQSZOEVSHATL-ICSRJNTNSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001461684964 1063657076 /nfs/dbraw/zinc/65/70/76/1063657076.db2.gz SOISIGYWJCIKQV-VVLHAWIVSA-N 1 0 322.493 4.109 20 30 DIEDRO CC1(C)C[C@@H](Nc2cc(F)cc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001461692531 1063660531 /nfs/dbraw/zinc/66/05/31/1063660531.db2.gz LKIQUZWCDDTZGB-LJQANCHMSA-N 1 0 323.415 4.162 20 30 DIEDRO Cc1cc(C)c(/C=C\C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1C ZINC001461703640 1063668413 /nfs/dbraw/zinc/66/84/13/1063668413.db2.gz LWGCFCIBTTVVJT-QATSOJGNSA-N 1 0 316.448 4.254 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cc3ccccc3s1)C2 ZINC001461705936 1063670177 /nfs/dbraw/zinc/67/01/77/1063670177.db2.gz URVAGEZIMWLYCE-QGZVFWFLSA-N 1 0 304.418 4.030 20 30 DIEDRO C=CC(C)(C)CCC[NH2+]Cc1nc(C)c(Br)s1 ZINC001461733329 1063686201 /nfs/dbraw/zinc/68/62/01/1063686201.db2.gz IYRWHHYWTDTTHH-UHFFFAOYSA-N 1 0 317.296 4.296 20 30 DIEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258562364 1063694380 /nfs/dbraw/zinc/69/43/80/1063694380.db2.gz HQZNFZAFHYTGOZ-HNNXBMFYSA-N 1 0 310.482 4.063 20 30 DIEDRO CSc1ccc(C[NH2+][C@H]2CCCc3ccccc3C2)cc1C#N ZINC001461754183 1063698265 /nfs/dbraw/zinc/69/82/65/1063698265.db2.gz OGSHZTBXBHUCQW-IBGZPJMESA-N 1 0 322.477 4.317 20 30 DIEDRO CCCCCCCC[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258637291 1063719193 /nfs/dbraw/zinc/71/91/93/1063719193.db2.gz OJFDFRYNVTYLKC-UHFFFAOYSA-N 1 0 316.489 4.241 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)cc(OC)c1O ZINC001461830006 1063740484 /nfs/dbraw/zinc/74/04/84/1063740484.db2.gz MDOGZUHQGONYFR-MSOLQXFVSA-N 1 0 315.457 4.045 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)cc(OC)c1O ZINC001461830008 1063740866 /nfs/dbraw/zinc/74/08/66/1063740866.db2.gz MDOGZUHQGONYFR-QZTJIDSGSA-N 1 0 315.457 4.045 20 30 DIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H]2C(C)C)cc1OC ZINC001461840571 1063743558 /nfs/dbraw/zinc/74/35/58/1063743558.db2.gz YAGPKSAUDAKKIU-DZGCQCFKSA-N 1 0 309.837 4.048 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)C1 ZINC001461835431 1063743933 /nfs/dbraw/zinc/74/39/33/1063743933.db2.gz HYLUEGZBOSWEAT-YNVMFWSZSA-N 1 0 313.441 4.004 20 30 DIEDRO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258709593 1063765270 /nfs/dbraw/zinc/76/52/70/1063765270.db2.gz LTMYLQVQTGWBRB-ZWKOTPCHSA-N 1 0 315.482 4.062 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC001258714757 1063770430 /nfs/dbraw/zinc/77/04/30/1063770430.db2.gz VIUVWYMNUFFVLY-QGZVFWFLSA-N 1 0 324.509 4.336 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]Cc1cn(CCOC)cn1 ZINC001258714433 1063770495 /nfs/dbraw/zinc/77/04/95/1063770495.db2.gz ODWDJYHLRNRNIX-GOSISDBHSA-N 1 0 323.525 4.394 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)[NH2+]Cc1cn(CCOC)cn1 ZINC001258714434 1063771322 /nfs/dbraw/zinc/77/13/22/1063771322.db2.gz ODWDJYHLRNRNIX-SFHVURJKSA-N 1 0 323.525 4.394 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001258716668 1063772191 /nfs/dbraw/zinc/77/21/91/1063772191.db2.gz CZFRHMDUKKPNAY-VQIMIIECSA-N 1 0 324.509 4.358 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)n1cc(C[NH3+])c(C)nc1=N ZINC001258714890 1063772321 /nfs/dbraw/zinc/77/23/21/1063772321.db2.gz WYMLTQIWTVKDSC-QGZVFWFLSA-N 1 0 306.498 4.077 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001258716570 1063772588 /nfs/dbraw/zinc/77/25/88/1063772588.db2.gz BCLXWAZVWRPKOV-RDJZCZTQSA-N 1 0 318.461 4.197 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)[NH2+]Cc1ccc(OC)nn1 ZINC001258716286 1063772988 /nfs/dbraw/zinc/77/29/88/1063772988.db2.gz WORFFDWVIDSSET-MRXNPFEDSA-N 1 0 307.482 4.350 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001258714873 1063773037 /nfs/dbraw/zinc/77/30/37/1063773037.db2.gz WLGHXFVYRVJNDB-HNNXBMFYSA-N 1 0 307.486 4.193 20 30 DIEDRO CCCCCCC[C@@H](CC(C)C)n1[nH]c(=O)c(CC[NH3+])c1C ZINC001258716031 1063773056 /nfs/dbraw/zinc/77/30/56/1063773056.db2.gz QMPRIHDLQOUPBW-INIZCTEOSA-N 1 0 309.498 4.346 20 30 DIEDRO CCCCCCC[C@H](CC(C)C)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001258714874 1063773405 /nfs/dbraw/zinc/77/34/05/1063773405.db2.gz WLGHXFVYRVJNDB-OAHLLOKOSA-N 1 0 307.486 4.193 20 30 DIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258716979 1063773573 /nfs/dbraw/zinc/77/35/73/1063773573.db2.gz IZXDUDPYLZHIND-JKSUJKDBSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001258717595 1063774104 /nfs/dbraw/zinc/77/41/04/1063774104.db2.gz RJVCGQRVPAHPGG-BZUAXINKSA-N 1 0 310.482 4.014 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001258717356 1063774565 /nfs/dbraw/zinc/77/45/65/1063774565.db2.gz PWZUNWZWQDZOTA-OAHLLOKOSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001258718922 1063774805 /nfs/dbraw/zinc/77/48/05/1063774805.db2.gz XUSRCMQQPGWAEY-LUKYLMHMSA-N 1 0 322.493 4.109 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1C ZINC001258718596 1063775291 /nfs/dbraw/zinc/77/52/91/1063775291.db2.gz RQBMVWGHXBWEJY-CYBMUJFWSA-N 1 0 319.449 4.181 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]Cc1cncn1Cc1cccc(Cl)c1 ZINC001258723139 1063776024 /nfs/dbraw/zinc/77/60/24/1063776024.db2.gz SAGOZJSCNNVQLZ-CQSZACIVSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC001258722029 1063776278 /nfs/dbraw/zinc/77/62/78/1063776278.db2.gz ASGVZWRVSONUTR-OAHLLOKOSA-N 1 0 307.865 4.333 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2ncc(Br)cc2c1 ZINC001258721967 1063776381 /nfs/dbraw/zinc/77/63/81/1063776381.db2.gz KBZOVEQWVZOKPW-LBPRGKRZSA-N 1 0 319.246 4.442 20 30 DIEDRO C=CCC[C@H](C)[NH2+]Cc1cncn1Cc1ccccc1Cl ZINC001258723787 1063776649 /nfs/dbraw/zinc/77/66/49/1063776649.db2.gz DWONYSKSANVQDG-AWEZNQCLSA-N 1 0 303.837 4.029 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2cc(C)cc(F)c2)CC1 ZINC001258723532 1063776846 /nfs/dbraw/zinc/77/68/46/1063776846.db2.gz XGTHHIJTLFXTEY-INIZCTEOSA-N 1 0 304.453 4.043 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@H](C)Cc1cc2ccn(C(C)=O)c2c(C#N)c1 ZINC001258720981 1063776859 /nfs/dbraw/zinc/77/68/59/1063776859.db2.gz KGWQQRDVCGNSOD-HUUCEWRRSA-N 1 0 323.440 4.048 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC001258722157 1063777019 /nfs/dbraw/zinc/77/70/19/1063777019.db2.gz CXNNNGXSBYVIPG-CQSZACIVSA-N 1 0 324.871 4.388 20 30 DIEDRO C=CCC[C@@H](C)n1cc(C[NH3+])c2ccc(Br)cc21 ZINC001258721171 1063777411 /nfs/dbraw/zinc/77/74/11/1063777411.db2.gz OHYAFASPACGIHE-LLVKDONJSA-N 1 0 307.235 4.390 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(CC(=O)OC(C)(C)C)cc1 ZINC001258721370 1063777454 /nfs/dbraw/zinc/77/74/54/1063777454.db2.gz UETAJWFWROVOHH-MRXNPFEDSA-N 1 0 317.473 4.058 20 30 DIEDRO C=CCC[C@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001258722030 1063777576 /nfs/dbraw/zinc/77/75/76/1063777576.db2.gz AWBZGTYELOAWTI-HNNXBMFYSA-N 1 0 306.881 4.249 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1nc2ccccc2n1C)c1cccnc1 ZINC001258725269 1063778021 /nfs/dbraw/zinc/77/80/21/1063778021.db2.gz INBQFSCSJUIURL-DNVCBOLYSA-N 1 0 320.440 4.002 20 30 DIEDRO C=CCC[C@@H](C)[N@@H+]1CCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258725667 1063778201 /nfs/dbraw/zinc/77/82/01/1063778201.db2.gz ATEXOJUFQBFWFT-MRXNPFEDSA-N 1 0 322.493 4.207 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CC2(OC)CCC2)C(C)(C)C)cc1 ZINC001461890083 1063778581 /nfs/dbraw/zinc/77/85/81/1063778581.db2.gz XUTUUNRCVLQBRP-UHFFFAOYSA-N 1 0 317.473 4.421 20 30 DIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCOc2ccc(OC(F)(F)F)cc21 ZINC001258725421 1063779228 /nfs/dbraw/zinc/77/92/28/1063779228.db2.gz KHUNQUZWAFZVCE-BXUZGUMPSA-N 1 0 315.335 4.353 20 30 DIEDRO C=CCC[C@@H](C)[NH2+]CC1(Cc2ccc(F)cc2)CCOCC1 ZINC001258724533 1063779475 /nfs/dbraw/zinc/77/94/75/1063779475.db2.gz ZESKJKVLFLZCAO-MRXNPFEDSA-N 1 0 305.437 4.109 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC2(CC1)OC(=O)c1cc(Cl)ccc12 ZINC001258733208 1063780405 /nfs/dbraw/zinc/78/04/05/1063780405.db2.gz WHXIWCZKAHVCEF-CYBMUJFWSA-N 1 0 319.832 4.156 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(c2cccc(C(=O)OC)c2)CC1 ZINC001258732008 1063781083 /nfs/dbraw/zinc/78/10/83/1063781083.db2.gz HIUVQUSNWAYYTA-HNNXBMFYSA-N 1 0 301.430 4.007 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC(N(C)Cc2ccccc2F)CC1 ZINC001258732839 1063782100 /nfs/dbraw/zinc/78/21/00/1063782100.db2.gz CHGNZRPYRDHLBZ-INIZCTEOSA-N 1 0 304.453 4.077 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258728940 1063782513 /nfs/dbraw/zinc/78/25/13/1063782513.db2.gz RKDRFPRTDVKXIX-INIZCTEOSA-N 1 0 322.493 4.064 20 30 DIEDRO C=CCC[C@H](C)[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC001258732632 1063782594 /nfs/dbraw/zinc/78/25/94/1063782594.db2.gz OKBAYPREHUXUFD-DLBZAZTESA-N 1 0 302.462 4.389 20 30 DIEDRO C=CCC[C@H](C)[N@H+](C)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001258734434 1063783068 /nfs/dbraw/zinc/78/30/68/1063783068.db2.gz XUBZZPBCSUREGM-JYJNAYRXSA-N 1 0 310.482 4.109 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC2(CC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001258735781 1063784298 /nfs/dbraw/zinc/78/42/98/1063784298.db2.gz BSZMFPVJTRQJLT-HOTGVXAUSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC2(CC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001258735780 1063784930 /nfs/dbraw/zinc/78/49/30/1063784930.db2.gz BSZMFPVJTRQJLT-CVEARBPZSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCC[C@H](C)[NH+]1CCC2(CC1)CC(=O)c1cc(C)ccc1O2 ZINC001258733302 1063785111 /nfs/dbraw/zinc/78/51/11/1063785111.db2.gz YTNDFRLZSSIZLP-INIZCTEOSA-N 1 0 313.441 4.150 20 30 DIEDRO C=CCC[C@@H](C)[NH+]1CCC(c2ccc(C(=O)OC)cc2)CC1 ZINC001258733433 1063785296 /nfs/dbraw/zinc/78/52/96/1063785296.db2.gz DPUHFDTYIFTRIH-OAHLLOKOSA-N 1 0 301.430 4.007 20 30 DIEDRO C#CC[N@@H+](Cc1cc(Cl)cc2c1OCC2)C1CCCCC1 ZINC001461900229 1063786622 /nfs/dbraw/zinc/78/66/22/1063786622.db2.gz OIQUIBUCSPKXAA-UHFFFAOYSA-N 1 0 303.833 4.043 20 30 DIEDRO C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001258739510 1063789294 /nfs/dbraw/zinc/78/92/94/1063789294.db2.gz COSIZIHNGPTVSW-GFCCVEGCSA-N 1 0 302.780 4.072 20 30 DIEDRO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H](CCC)CCCC)CC2 ZINC001258760184 1063804506 /nfs/dbraw/zinc/80/45/06/1063804506.db2.gz KNIBPUXXLZOSCC-QGZVFWFLSA-N 1 0 322.493 4.066 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H](CCC)CCCC)C2 ZINC001258759981 1063804702 /nfs/dbraw/zinc/80/47/02/1063804702.db2.gz GRAPOIQNBHAPTH-UYAOXDASSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H](CCC)CCCC)C2 ZINC001258759978 1063804861 /nfs/dbraw/zinc/80/48/61/1063804861.db2.gz GRAPOIQNBHAPTH-AZUAARDMSA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](CCC)CCCC)CC2 ZINC001258761606 1063806846 /nfs/dbraw/zinc/80/68/46/1063806846.db2.gz ODTOJZUWXCRWFP-QUCCMNQESA-N 1 0 320.521 4.378 20 30 DIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H](CC)C[C@H](C)CC)C2 ZINC001258790096 1063829782 /nfs/dbraw/zinc/82/97/82/1063829782.db2.gz IEICXKWAFCASKL-QWFCFKBJSA-N 1 0 320.521 4.234 20 30 DIEDRO CC(C)C1CCC(n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1 ZINC001258801073 1063834981 /nfs/dbraw/zinc/83/49/81/1063834981.db2.gz HWKYCABMKPTQPS-UHFFFAOYSA-N 1 0 309.457 4.401 20 30 DIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC001461994461 1063866369 /nfs/dbraw/zinc/86/63/69/1063866369.db2.gz CBDHPDRACJJNLJ-HXUWFJFHSA-N 1 0 323.436 4.139 20 30 DIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001461995290 1063866446 /nfs/dbraw/zinc/86/64/46/1063866446.db2.gz QUTAIPUWQOATHU-MPGHIAIKSA-N 1 0 317.860 4.363 20 30 DIEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)cc1 ZINC001462002415 1063873458 /nfs/dbraw/zinc/87/34/58/1063873458.db2.gz PUUNHMXZKQSQTL-KUHUBIRLSA-N 1 0 313.828 4.187 20 30 DIEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2C)C1 ZINC001462004081 1063873743 /nfs/dbraw/zinc/87/37/43/1063873743.db2.gz WNHUZLMBOGXVBM-IBGZPJMESA-N 1 0 307.437 4.439 20 30 DIEDRO C=C(C)C[N@@H+](CC)Cc1c2cc(C)ccc2[nH]c1C(=O)OCC ZINC001462015881 1063877441 /nfs/dbraw/zinc/87/74/41/1063877441.db2.gz BCGMBYRPHMAHBF-UHFFFAOYSA-N 1 0 314.429 4.051 20 30 DIEDRO C#CCCCCCC[N@H+]1CCCN(Cc2ccccc2C)CC1 ZINC001462016590 1063880327 /nfs/dbraw/zinc/88/03/27/1063880327.db2.gz CQDJMMHOKDLAIO-UHFFFAOYSA-N 1 0 312.501 4.086 20 30 DIEDRO CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1N(C)C ZINC001462017885 1063881562 /nfs/dbraw/zinc/88/15/62/1063881562.db2.gz BNYRHLJRFZFNRV-QGZVFWFLSA-N 1 0 321.468 4.425 20 30 DIEDRO CC#CCC[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001462024614 1063887239 /nfs/dbraw/zinc/88/72/39/1063887239.db2.gz VZYUJZMCBHMKQC-UHFFFAOYSA-N 1 0 318.779 4.169 20 30 DIEDRO CC(C)c1cc([C@@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)[nH]n1 ZINC001262020998 1063952522 /nfs/dbraw/zinc/95/25/22/1063952522.db2.gz RIOVLCDIQGRCPF-MRXNPFEDSA-N 1 0 316.493 4.433 20 30 DIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC001262111483 1063957479 /nfs/dbraw/zinc/95/74/79/1063957479.db2.gz HNUVQKGPFCJQFA-TZMCWYRMSA-N 1 0 322.861 4.021 20 30 DIEDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1c(C)noc1C ZINC001262257355 1063960925 /nfs/dbraw/zinc/96/09/25/1063960925.db2.gz IRVBVOQTNMTQPE-OAHLLOKOSA-N 1 0 303.793 4.057 20 30 DIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000602509592 1064003572 /nfs/dbraw/zinc/00/35/72/1064003572.db2.gz DVGRGAPNWFSPES-LKSINWNRSA-N 1 0 312.335 4.318 20 30 DIEDRO C=C[C@@H](CC)CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001264490218 1064104957 /nfs/dbraw/zinc/10/49/57/1064104957.db2.gz HHFXKTUDCIFBKB-SJORKVTESA-N 1 0 314.473 4.459 20 30 DIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Br)cc1SC ZINC000390542085 1064163029 /nfs/dbraw/zinc/16/30/29/1064163029.db2.gz LSOAQSCAAHEUOY-SNVBAGLBSA-N 1 0 300.265 4.225 20 30 DIEDRO CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1ccc(C#N)cc1 ZINC001279744885 1064366152 /nfs/dbraw/zinc/36/61/52/1064366152.db2.gz WTFCBHXFRJJVQQ-AHRSYUTCSA-N 1 0 311.473 4.038 20 30 DIEDRO CCCC[C@H](CC)C[N@@H+]1CCC12CN(c1ccccc1C#N)C2 ZINC001279746366 1064367215 /nfs/dbraw/zinc/36/72/15/1064367215.db2.gz VDLODMCWQFPFSW-KRWDZBQOSA-N 1 0 311.473 4.039 20 30 DIEDRO C=CCCCCC[NH+]1CCC2(C[C@@H]2C(=O)N(CC)C(C)C)CC1 ZINC001279827509 1064369220 /nfs/dbraw/zinc/36/92/20/1064369220.db2.gz BLZJZOWBQGUWNB-GOSISDBHSA-N 1 0 320.521 4.092 20 30 DIEDRO C=CCCCC[NH+]1CCC2(C=C(C(=O)NC(C)(C)C)CC2)CC1 ZINC001280128082 1064382813 /nfs/dbraw/zinc/38/28/13/1064382813.db2.gz IKQMVCODKTXGGH-UHFFFAOYSA-N 1 0 318.505 4.060 20 30 DIEDRO CCCCCCCCCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(N)=O ZINC001280269294 1064389030 /nfs/dbraw/zinc/38/90/30/1064389030.db2.gz OAMHUHIMMUWTNC-VSZNYVQBSA-N 1 0 308.510 4.007 20 30 DIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)CCC[C@H]1CC)C(C)C ZINC001292957940 1064794140 /nfs/dbraw/zinc/79/41/40/1064794140.db2.gz CLIBHEAXYXLPAY-GGPKGHCWSA-N 1 0 320.521 4.018 20 30 DIEDRO CCCCCCCCC/C=C\C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001293854735 1064833915 /nfs/dbraw/zinc/83/39/15/1064833915.db2.gz HTPUXODKAGZXLG-DWQWQOHNSA-N 1 0 322.537 4.482 20 30 DIEDRO CCCCCCCCCCCC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001295758836 1064926680 /nfs/dbraw/zinc/92/66/80/1064926680.db2.gz YENFTYAWUTVOOO-MSOLQXFVSA-N 1 0 310.526 4.458 20 30 DIEDRO C=CCCCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001298803322 1065023065 /nfs/dbraw/zinc/02/30/65/1065023065.db2.gz NOACTQZTFOCMDP-GUDVDZBRSA-N 1 0 320.521 4.140 20 30 DIEDRO C=CC(C)(C)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001301364160 1065061620 /nfs/dbraw/zinc/06/16/20/1065061620.db2.gz ICSMXOIYOMPNBL-UHFFFAOYSA-N 1 0 314.473 4.005 20 30 DIEDRO C=CCCC(C)(C)CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001302192340 1065080739 /nfs/dbraw/zinc/08/07/39/1065080739.db2.gz LTNBYTXXZAWNHK-UHFFFAOYSA-N 1 0 313.445 4.013 20 30 DIEDRO CCCCCCCCC/C=C/C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001303988333 1065126307 /nfs/dbraw/zinc/12/63/07/1065126307.db2.gz HQGIXGRHDSTILZ-CLVCIHKQSA-N 1 0 308.510 4.140 20 30 DIEDRO CCCCCCCCCCC(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C ZINC001306858821 1065197325 /nfs/dbraw/zinc/19/73/25/1065197325.db2.gz ICQSZAKGKWZTFE-KRWDZBQOSA-N 1 0 308.510 4.212 20 30 DIEDRO CCCCC[N@H+](CCNc1ccc(C#N)cn1)Cc1ccccc1 ZINC001307158812 1065288749 /nfs/dbraw/zinc/28/87/49/1065288749.db2.gz IMQHJYADPZKEQC-UHFFFAOYSA-N 1 0 322.456 4.058 20 30 DIEDRO CC(C)[NH+](CCSCc1cn2ccccc2c1C#N)C(C)C ZINC001307325668 1065340434 /nfs/dbraw/zinc/34/04/34/1065340434.db2.gz XALAFZGFABRMDX-UHFFFAOYSA-N 1 0 315.486 4.163 20 30 DIEDRO N#Cc1cccc(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001307360157 1065354282 /nfs/dbraw/zinc/35/42/82/1065354282.db2.gz FJWTUSPHPLJGSD-HXUWFJFHSA-N 1 0 322.477 4.456 20 30 DIEDRO CC(C)CC[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC001307413392 1065374955 /nfs/dbraw/zinc/37/49/55/1065374955.db2.gz OBLSQQMNSIZJMD-UHFFFAOYSA-N 1 0 321.262 4.331 20 30 DIEDRO CCN(C[C@H]1CCCC[N@@H+]1C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC001307425215 1065385305 /nfs/dbraw/zinc/38/53/05/1065385305.db2.gz AHQIARVVPAVZGW-YLJYHZDGSA-N 1 0 313.489 4.204 20 30 DIEDRO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001307425336 1065385742 /nfs/dbraw/zinc/38/57/42/1065385742.db2.gz CYKBRNJISFMEDC-INIZCTEOSA-N 1 0 303.409 4.321 20 30 DIEDRO C#CCCCCCC[N@@H+](C)Cc1cccc(Br)c1 ZINC001307427486 1065389501 /nfs/dbraw/zinc/38/95/01/1065389501.db2.gz PWFJMCWGJIKOII-UHFFFAOYSA-N 1 0 308.263 4.465 20 30 DIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)s1 ZINC001307431037 1065391414 /nfs/dbraw/zinc/39/14/14/1065391414.db2.gz DCGKSWOMTMPWFG-AWEZNQCLSA-N 1 0 316.857 4.480 20 30 DIEDRO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC001307441298 1065402696 /nfs/dbraw/zinc/40/26/96/1065402696.db2.gz CJVDVPYULFWNJJ-SFHVURJKSA-N 1 0 322.427 4.461 20 30 DIEDRO C=C(C)CC[N@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC001307450845 1065409495 /nfs/dbraw/zinc/40/94/95/1065409495.db2.gz OXVIHDKUPVSRME-SFHVURJKSA-N 1 0 317.473 4.457 20 30 DIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001307465684 1065416695 /nfs/dbraw/zinc/41/66/95/1065416695.db2.gz UPLBVHNJZFWRNY-HXUWFJFHSA-N 1 0 308.400 4.251 20 30 DIEDRO CC(C)C[N@H+](CCC#N)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001307483578 1065427606 /nfs/dbraw/zinc/42/76/06/1065427606.db2.gz RVGXPEUSLHJBQP-MOPGFXCFSA-N 1 0 300.446 4.168 20 30 DIEDRO CC(C)C[N@H+](CCC#N)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001307483581 1065430359 /nfs/dbraw/zinc/43/03/59/1065430359.db2.gz RVGXPEUSLHJBQP-RTBURBONSA-N 1 0 300.446 4.168 20 30 DIEDRO Cc1ccc([C@H]2CCCCC[N@@H+]2CCOc2ccccc2C#N)o1 ZINC001307488124 1065432967 /nfs/dbraw/zinc/43/29/67/1065432967.db2.gz RBZWSROHWYPQQZ-GOSISDBHSA-N 1 0 324.424 4.456 20 30 DIEDRO CCCCCCC[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001307498086 1065441906 /nfs/dbraw/zinc/44/19/06/1065441906.db2.gz WSQILBVMAKWBHV-INIZCTEOSA-N 1 0 312.498 4.288 20 30 DIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)s2)C12CCCCC2 ZINC001307503458 1065446465 /nfs/dbraw/zinc/44/64/65/1065446465.db2.gz ORCPHFZQEDPFND-IRXDYDNUSA-N 1 0 318.486 4.179 20 30 DIEDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1C ZINC001307524543 1065461719 /nfs/dbraw/zinc/46/17/19/1065461719.db2.gz LDFBANWTJGWCDN-FQEVSTJZSA-N 1 0 319.452 4.097 20 30 DIEDRO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC001307525009 1065464468 /nfs/dbraw/zinc/46/44/68/1065464468.db2.gz RRKCTYACABWPEB-SFHVURJKSA-N 1 0 319.452 4.058 20 30 DIEDRO C=CCCCCC[N@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC001307555972 1065480561 /nfs/dbraw/zinc/48/05/61/1065480561.db2.gz ZUGFDKNXPBPJLY-UHFFFAOYSA-N 1 0 316.489 4.484 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](C/C=C(\C)COC)C(C)(C)C)cc1 ZINC001307570304 1065487193 /nfs/dbraw/zinc/48/71/93/1065487193.db2.gz GJROIDVGKHFECC-SFQUDFHCSA-N 1 0 317.473 4.445 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCc2ccccn2)C(C)(C)C)cc1 ZINC001307569819 1065487637 /nfs/dbraw/zinc/48/76/37/1065487637.db2.gz AOKRHOALRKLINS-UHFFFAOYSA-N 1 0 324.468 4.490 20 30 DIEDRO C=CCOc1ccc(C[N@@H+](CCOCC2CC2)C(C)(C)C)cc1 ZINC001307569045 1065488100 /nfs/dbraw/zinc/48/81/00/1065488100.db2.gz ZYSJIVGUMNFRKU-UHFFFAOYSA-N 1 0 317.473 4.279 20 30 DIEDRO C=CCC[C@H](O)C[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC001307593141 1065504950 /nfs/dbraw/zinc/50/49/50/1065504950.db2.gz VTIFCJYQIKRWHJ-SFHVURJKSA-N 1 0 305.437 4.288 20 30 DIEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC(C)(C)C1 ZINC001307607159 1065512638 /nfs/dbraw/zinc/51/26/38/1065512638.db2.gz ZZVBYCWGRQVSEN-LBPRGKRZSA-N 1 0 310.363 4.445 20 30 DIEDRO N#Cc1ccnc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)c1 ZINC001307635354 1065533311 /nfs/dbraw/zinc/53/33/11/1065533311.db2.gz SDSWELSQLSVYFV-HXUWFJFHSA-N 1 0 305.425 4.364 20 30 DIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](CC)c2ccc(C)cc2)cc1 ZINC001307642990 1065536065 /nfs/dbraw/zinc/53/60/65/1065536065.db2.gz LRFXTTZPVXTBNA-FQEVSTJZSA-N 1 0 320.436 4.046 20 30 DIEDRO CCc1ccccc1CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001307646448 1065538790 /nfs/dbraw/zinc/53/87/90/1065538790.db2.gz JHXMKEHVOGXOTH-UHFFFAOYSA-N 1 0 316.448 4.452 20 30 DIEDRO CC(C)Oc1cccc(C[N@H+](C)CC#Cc2ccc(F)cc2)c1 ZINC001307646998 1065539886 /nfs/dbraw/zinc/53/98/86/1065539886.db2.gz PUJCWECQWRVVBI-UHFFFAOYSA-N 1 0 311.400 4.096 20 30 DIEDRO C=CCCCC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001307649583 1065542831 /nfs/dbraw/zinc/54/28/31/1065542831.db2.gz GDWFEGJPGBOBGW-MRXNPFEDSA-N 1 0 311.372 4.018 20 30 DIEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001307654002 1065544378 /nfs/dbraw/zinc/54/43/78/1065544378.db2.gz AMHBPDPKBUIAMZ-OAQYLSRUSA-N 1 0 304.437 4.198 20 30 DIEDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCCO1 ZINC001307667766 1065552206 /nfs/dbraw/zinc/55/22/06/1065552206.db2.gz AGYUWEASGSSATF-NHCUHLMSSA-N 1 0 320.436 4.272 20 30 DIEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1Oc1ccc(OCCC)cc1 ZINC001307701416 1065572822 /nfs/dbraw/zinc/57/28/22/1065572822.db2.gz WUKSIPRVUZTOQC-MOPGFXCFSA-N 1 0 303.446 4.331 20 30 DIEDRO C=CC[C@H]1[N@@H+](CCC(=O)Nc2ccccc2F)CCCC1(C)C ZINC001307728618 1065588418 /nfs/dbraw/zinc/58/84/18/1065588418.db2.gz FIBULPBSKNFOLD-QGZVFWFLSA-N 1 0 318.436 4.221 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC001307741981 1065599104 /nfs/dbraw/zinc/59/91/04/1065599104.db2.gz MJVLWBDNDCGUBO-SFHVURJKSA-N 1 0 320.436 4.173 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@H](C)[C@@H]1OC ZINC001307744043 1065600618 /nfs/dbraw/zinc/60/06/18/1065600618.db2.gz HEQPLYNLOOUJHD-QGTPRVQTSA-N 1 0 319.876 4.121 20 30 DIEDRO CCC1(CC)[C@H]([NH2+]CCCCC2(C#N)CCC2)[C@H](C)[C@H]1OC ZINC001307746460 1065602677 /nfs/dbraw/zinc/60/26/77/1065602677.db2.gz UFSAGDHINGLCTP-GVDBMIGSSA-N 1 0 306.494 4.280 20 30 DIEDRO N#Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1F ZINC001307750113 1065604884 /nfs/dbraw/zinc/60/48/84/1065604884.db2.gz XUYFTRJGQWKMJM-XUVXKRRUSA-N 1 0 320.411 4.465 20 30 DIEDRO CCCCCCCCCC[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC001307780680 1065617463 /nfs/dbraw/zinc/61/74/63/1065617463.db2.gz HGRBMWJUCCRIKD-KRWDZBQOSA-N 1 0 312.498 4.290 20 30 DIEDRO COc1ccc(C#N)cc1C[N@@H+]1Cc2cccc(C)c2CC1(C)C ZINC001307790323 1065622041 /nfs/dbraw/zinc/62/20/41/1065622041.db2.gz YKUOYEWHJXFKDV-UHFFFAOYSA-N 1 0 320.436 4.212 20 30 DIEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001307809707 1065632021 /nfs/dbraw/zinc/63/20/21/1065632021.db2.gz DXAOFTDHIVTBRZ-IBGZPJMESA-N 1 0 308.425 4.192 20 30 DIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC001307905447 1065676619 /nfs/dbraw/zinc/67/66/19/1065676619.db2.gz ZMQIRKUKYFEOBV-HXUWFJFHSA-N 1 0 322.477 4.465 20 30 DIEDRO C#CC[N@@H+](Cc1ccc(C(C)C)cc1C(C)C)C1CSC1 ZINC001307918201 1065682761 /nfs/dbraw/zinc/68/27/61/1065682761.db2.gz GYRXDJAXZCQSLS-UHFFFAOYSA-N 1 0 301.499 4.484 20 30 DIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC001307924507 1065684440 /nfs/dbraw/zinc/68/44/40/1065684440.db2.gz RKCRJLHSZARAPF-NVXWUHKLSA-N 1 0 311.429 4.270 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)sc1C ZINC001307925016 1065685071 /nfs/dbraw/zinc/68/50/71/1065685071.db2.gz VTWDBOZDDJFIGQ-HIFRSBDPSA-N 1 0 307.459 4.068 20 30 DIEDRO C=CCC1([NH2+]Cc2nc3c(cccc3F)n2CC)CCCC1 ZINC001307935250 1065688031 /nfs/dbraw/zinc/68/80/31/1065688031.db2.gz VALSHDXPCULWDG-UHFFFAOYSA-N 1 0 301.409 4.174 20 30 DIEDRO C=CCC1([NH2+]Cc2cnc(Br)c(C)c2)CCCC1 ZINC001307935001 1065688972 /nfs/dbraw/zinc/68/89/72/1065688972.db2.gz PYPAOIIHWDEFCI-UHFFFAOYSA-N 1 0 309.251 4.131 20 30 DIEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@]1(C)Cc1cccc2ccccc21 ZINC001307951483 1065697069 /nfs/dbraw/zinc/69/70/69/1065697069.db2.gz JLNSJXFSAFARAB-DYESRHJHSA-N 1 0 322.452 4.165 20 30 DIEDRO CC[C@H](CO)[N@H+](CC1(CC#N)CC1)C1CCC(C(C)(C)C)CC1 ZINC001307958079 1065700138 /nfs/dbraw/zinc/70/01/38/1065700138.db2.gz NVEUIQLZYMACBG-LXPRWKDFSA-N 1 0 320.521 4.358 20 30 DIEDRO C=C(CC)C[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC001307983697 1065712351 /nfs/dbraw/zinc/71/23/51/1065712351.db2.gz UGVIVAHJSZGSBO-OAHLLOKOSA-N 1 0 301.261 4.152 20 30 DIEDRO C=CCC1([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CCCCC1 ZINC001308002728 1065720517 /nfs/dbraw/zinc/72/05/17/1065720517.db2.gz KRCKZLXTHIQRCK-MRXNPFEDSA-N 1 0 311.828 4.381 20 30 DIEDRO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001308008413 1065721338 /nfs/dbraw/zinc/72/13/38/1065721338.db2.gz NSGUQCZTZRPADZ-SFHVURJKSA-N 1 0 308.400 4.465 20 30 DIEDRO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C(C)(C)C1 ZINC001308042376 1065738536 /nfs/dbraw/zinc/73/85/36/1065738536.db2.gz LRYXTLZEBBIJRB-CYBMUJFWSA-N 1 0 311.347 4.057 20 30 DIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001308081723 1065753888 /nfs/dbraw/zinc/75/38/88/1065753888.db2.gz KAERKBARFBUPMK-KCXAZCMYSA-N 1 0 308.347 4.284 20 30 DIEDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001308100090 1065762315 /nfs/dbraw/zinc/76/23/15/1065762315.db2.gz VKEFJTYNKKUTFE-UTKZUKDTSA-N 1 0 304.437 4.369 20 30 DIEDRO Cc1cccc([C@H](C)[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC001308115020 1065766860 /nfs/dbraw/zinc/76/68/60/1065766860.db2.gz ULPWAOAAALRVDB-OXJNMPFZSA-N 1 0 306.409 4.001 20 30 DIEDRO C[C@H](CC[N@H+](C)Cc1cc(C#N)cs1)OCc1ccccc1 ZINC001308112957 1065767187 /nfs/dbraw/zinc/76/71/87/1065767187.db2.gz KVBDCVWUYIRECY-OAHLLOKOSA-N 1 0 314.454 4.047 20 30 DIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001308121940 1065770289 /nfs/dbraw/zinc/77/02/89/1065770289.db2.gz ROXWQDVYULTWOO-ICSRJNTNSA-N 1 0 308.469 4.498 20 30 DIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001308116527 1065770682 /nfs/dbraw/zinc/77/06/82/1065770682.db2.gz GSIKFFWONZQOSE-FQEVSTJZSA-N 1 0 310.441 4.257 20 30 DIEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001308124261 1065772864 /nfs/dbraw/zinc/77/28/64/1065772864.db2.gz JMBYMXBIQRPOQE-SFHVURJKSA-N 1 0 314.429 4.356 20 30 DIEDRO C=CCCC[N@@H+](CC)Cc1cncc(OCc2ccccc2)c1 ZINC001308133379 1065773101 /nfs/dbraw/zinc/77/31/01/1065773101.db2.gz FPABXTZIBPFLEN-UHFFFAOYSA-N 1 0 310.441 4.449 20 30 DIEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001308136306 1065776254 /nfs/dbraw/zinc/77/62/54/1065776254.db2.gz KNEVZPKDQPQXMO-GOSISDBHSA-N 1 0 314.473 4.353 20 30 DIEDRO C=CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1 ZINC001308187344 1065798100 /nfs/dbraw/zinc/79/81/00/1065798100.db2.gz DVFQGJFPLOUKCC-UHFFFAOYSA-N 1 0 317.436 4.182 20 30 DIEDRO Cc1cccc(OC[C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC001308218496 1065827247 /nfs/dbraw/zinc/82/72/47/1065827247.db2.gz BHKDEFWLOVQFIR-QGZVFWFLSA-N 1 0 322.452 4.353 20 30 DIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(c3ccccc3C)CCOCC2)C1 ZINC001308221259 1065829128 /nfs/dbraw/zinc/82/91/28/1065829128.db2.gz JSJYNBXMROKMSF-OALUTQOASA-N 1 0 313.485 4.378 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(c3ccccc3C)CCOCC2)C1 ZINC001308221258 1065829320 /nfs/dbraw/zinc/82/93/20/1065829320.db2.gz JSJYNBXMROKMSF-MOPGFXCFSA-N 1 0 313.485 4.378 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC001308250188 1065854408 /nfs/dbraw/zinc/85/44/08/1065854408.db2.gz GUTIOWDAJPODMB-HZPDHXFCSA-N 1 0 322.493 4.110 20 30 DIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)cc(OC)c1O ZINC001308252175 1065856630 /nfs/dbraw/zinc/85/66/30/1065856630.db2.gz QFURKSJYECBYKV-WMZOPIPTSA-N 1 0 317.473 4.434 20 30 DIEDRO C=CC[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)c1ccncc1 ZINC001308272742 1065872985 /nfs/dbraw/zinc/87/29/85/1065872985.db2.gz IYRLLYHGMVVHNO-LKIHTYOGSA-N 1 0 300.352 4.280 20 30 DIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001308274830 1065874502 /nfs/dbraw/zinc/87/45/02/1065874502.db2.gz NRAPZAIXLFVOJU-UYAOXDASSA-N 1 0 304.437 4.209 20 30 DIEDRO C#C[C@H]([NH2+]Cc1sc2c(cccc2Cl)c1C)[C@H]1CCCO1 ZINC001308378399 1065950583 /nfs/dbraw/zinc/95/05/83/1065950583.db2.gz XFKJEGUMRVVSAG-LSDHHAIUSA-N 1 0 319.857 4.134 20 30 DIEDRO C=CCC1([NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)CCCCC1 ZINC001308403666 1065964774 /nfs/dbraw/zinc/96/47/74/1065964774.db2.gz GBQUXOLSNANXGD-OAHLLOKOSA-N 1 0 315.457 4.387 20 30 DIEDRO C#CCOc1ccc(C[NH2+]C/C=C\c2cc(C)c(C)cc2C)cc1 ZINC001308406771 1065967315 /nfs/dbraw/zinc/96/73/15/1065967315.db2.gz CJIITYNITYPGNZ-SREVYHEPSA-N 1 0 319.448 4.427 20 30 DIEDRO C#CC[C@@H](CO)[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001308413557 1065971782 /nfs/dbraw/zinc/97/17/82/1065971782.db2.gz CIXUYIBBAUCGHQ-AWEZNQCLSA-N 1 0 323.823 4.120 20 30 DIEDRO C=C(C)COc1cc(C[NH2+]CC2=CCCCC2)ccc1OC ZINC001308423332 1065978054 /nfs/dbraw/zinc/97/80/54/1065978054.db2.gz XTGCRFSTCYEVKJ-UHFFFAOYSA-N 1 0 301.430 4.240 20 30 DIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2CC)cc(OC)c1O ZINC001308422552 1065978533 /nfs/dbraw/zinc/97/85/33/1065978533.db2.gz LVROHKRAOPTDNR-WMZOPIPTSA-N 1 0 317.473 4.435 20 30 DIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC001308434372 1065985303 /nfs/dbraw/zinc/98/53/03/1065985303.db2.gz LCXWTHNBEKWMMH-FQEVSTJZSA-N 1 0 309.453 4.191 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@H]2CC2(C)C)cc1OC ZINC001308440916 1065989115 /nfs/dbraw/zinc/98/91/15/1065989115.db2.gz HMODXTFMZGWKGB-CVEARBPZSA-N 1 0 303.446 4.174 20 30 DIEDRO C=CCCSCC[NH2+]Cc1ccc(OC)c(C(C)(C)C)c1 ZINC001308459050 1066001135 /nfs/dbraw/zinc/00/11/35/1066001135.db2.gz WQBPKNQADBTYSD-UHFFFAOYSA-N 1 0 307.503 4.392 20 30 DIEDRO C=CCCSCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC001308459571 1066001356 /nfs/dbraw/zinc/00/13/56/1066001356.db2.gz RNBMZSPSDNFVRE-UHFFFAOYSA-N 1 0 320.285 4.401 20 30 DIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1C ZINC001308461520 1066002925 /nfs/dbraw/zinc/00/29/25/1066002925.db2.gz COCKPKQZMJLUKC-WBVHZDCISA-N 1 0 303.446 4.237 20 30 DIEDRO CC(C)([NH2+]Cc1cc(F)c(F)c(F)c1)c1cccc(C#N)c1 ZINC001308461635 1066003542 /nfs/dbraw/zinc/00/35/42/1066003542.db2.gz AXHSHRNNSTWHKP-UHFFFAOYSA-N 1 0 304.315 4.000 20 30 DIEDRO CCOc1cc(F)cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC001308462783 1066004788 /nfs/dbraw/zinc/00/47/88/1066004788.db2.gz NXRPRXMHNJQPHA-UHFFFAOYSA-N 1 0 312.388 4.121 20 30 DIEDRO N#Cc1ccc(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC001308463223 1066005155 /nfs/dbraw/zinc/00/51/55/1066005155.db2.gz APEZIJDWQDVBQE-UHFFFAOYSA-N 1 0 305.208 4.197 20 30 DIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3=CCCC3)c2)c1 ZINC001308472204 1066012132 /nfs/dbraw/zinc/01/21/32/1066012132.db2.gz WPRAXILLVIADDN-UHFFFAOYSA-N 1 0 318.420 4.337 20 30 DIEDRO C=CCCC(C)(C)C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC001308487692 1066022724 /nfs/dbraw/zinc/02/27/24/1066022724.db2.gz YHJSPNJRZFZIGM-UHFFFAOYSA-N 1 0 316.489 4.246 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1csc3ccccc13)C2 ZINC001308498367 1066028700 /nfs/dbraw/zinc/02/87/00/1066028700.db2.gz UYKMFYAHULIWDQ-QGZVFWFLSA-N 1 0 304.418 4.030 20 30 DIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(F)c3ccccc13)C2 ZINC001308497749 1066029166 /nfs/dbraw/zinc/02/91/66/1066029166.db2.gz HZCXPHGDYAOSKE-GOSISDBHSA-N 1 0 316.379 4.108 20 30 DIEDRO C#CCCOc1ccc(C[NH2+]CC[C@H]2CCCC2(F)F)cc1 ZINC001308500708 1066030882 /nfs/dbraw/zinc/03/08/82/1066030882.db2.gz FLBYVJKXMPWWRS-MRXNPFEDSA-N 1 0 307.384 4.004 20 30 DIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001308504071 1066032964 /nfs/dbraw/zinc/03/29/64/1066032964.db2.gz YVLTYMRSZWTSJX-UHOFOFEASA-N 1 0 313.363 4.073 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001308510500 1066037712 /nfs/dbraw/zinc/03/77/12/1066037712.db2.gz VIPPQHUCLCDJJY-CVEARBPZSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001308510502 1066038065 /nfs/dbraw/zinc/03/80/65/1066038065.db2.gz VIPPQHUCLCDJJY-HOTGVXAUSA-N 1 0 324.509 4.404 20 30 DIEDRO C=CCOc1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC001308520391 1066042288 /nfs/dbraw/zinc/04/22/88/1066042288.db2.gz HJQGPAGBWCNMIC-ZNXRZULTSA-N 1 0 303.471 4.015 20 30 DIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCS[C@H](C)C2)cc1Cl ZINC001308540282 1066056696 /nfs/dbraw/zinc/05/66/96/1066056696.db2.gz RFEIXUSCYUMQET-TZMCWYRMSA-N 1 0 311.878 4.279 20 30 DIEDRO CCN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC001308545576 1066060943 /nfs/dbraw/zinc/06/09/43/1066060943.db2.gz DNBLWUWQEKXRME-UHFFFAOYSA-N 1 0 307.441 4.484 20 30 DIEDRO C#CCOc1ccccc1C[NH2+]CCC1CCC(F)(F)CC1 ZINC001308547724 1066062786 /nfs/dbraw/zinc/06/27/86/1066062786.db2.gz OYRUPKDUQGWZGM-UHFFFAOYSA-N 1 0 307.384 4.004 20 30 DIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1cccc(C#N)n1 ZINC001308565090 1066074229 /nfs/dbraw/zinc/07/42/29/1066074229.db2.gz PTGLVBZJNNEHLO-HXUWFJFHSA-N 1 0 307.441 4.105 20 30 DIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)C[C@H]2C)cc1OC ZINC001308569753 1066078305 /nfs/dbraw/zinc/07/83/05/1066078305.db2.gz JTJMHDDXZSYFBE-CHWSQXEVSA-N 1 0 309.837 4.144 20 30 DIEDRO C#CC[N@@H+](Cc1cn(CC)nc1-c1ccccc1)C1CCCCC1 ZINC001308589834 1066103943 /nfs/dbraw/zinc/10/39/43/1066103943.db2.gz LIKLOQATZSGRPN-UHFFFAOYSA-N 1 0 321.468 4.338 20 30 DIEDRO CC[C@@H](C[N@H+](CCOC)Cc1ccc(C#N)cc1)c1ccccc1 ZINC001308615896 1066120457 /nfs/dbraw/zinc/12/04/57/1066120457.db2.gz UYQZDXRXIIEYFQ-FQEVSTJZSA-N 1 0 322.452 4.200 20 30 DIEDRO CC[C@H](C[N@H+](CCOC)Cc1ccc(C#N)cc1)c1ccccc1 ZINC001308615901 1066120988 /nfs/dbraw/zinc/12/09/88/1066120988.db2.gz UYQZDXRXIIEYFQ-HXUWFJFHSA-N 1 0 322.452 4.200 20 30 DIEDRO C=CC[N@@H+](Cc1ccc(/C=C/C(=O)OC)o1)CC1CCCCC1 ZINC001308633903 1066128721 /nfs/dbraw/zinc/12/87/21/1066128721.db2.gz GGHWAYQDZKTLLN-VAWYXSNFSA-N 1 0 317.429 4.034 20 30 DIEDRO C=CC[NH+](CC=C)CC(C)(C)c1ccc(Br)cc1 ZINC001308647047 1066135688 /nfs/dbraw/zinc/13/56/88/1066135688.db2.gz CEVPRCSDWZJBTF-UHFFFAOYSA-N 1 0 308.263 4.401 20 30 DIEDRO C=C(C)C[N@@H+](CC)CC(CC)(CC)CNC(=O)OC(C)(C)C ZINC001308652572 1066137933 /nfs/dbraw/zinc/13/79/33/1066137933.db2.gz BBCSTFBCMGTCRC-UHFFFAOYSA-N 1 0 312.498 4.216 20 30 DIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000754602330 1066144972 /nfs/dbraw/zinc/14/49/72/1066144972.db2.gz XOQFEFAXJWQJGS-LBPRGKRZSA-N 1 0 320.845 4.393 20 30 DIEDRO Cn1cc(C[NH2+][C@H]2CCCCC2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC001308682890 1066153961 /nfs/dbraw/zinc/15/39/61/1066153961.db2.gz HLDRDYLTAZKTHR-SFHVURJKSA-N 1 0 322.456 4.017 20 30 DIEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC001308698915 1066187149 /nfs/dbraw/zinc/18/71/49/1066187149.db2.gz XVVZBPBABANYLU-HNNXBMFYSA-N 1 0 322.305 4.133 20 30 DIEDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001308738272 1066212713 /nfs/dbraw/zinc/21/27/13/1066212713.db2.gz RTDRXXFZGQOYJZ-KKSFZXQISA-N 1 0 320.436 4.131 20 30 DIEDRO C[C@H](C[NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 ZINC001308738195 1066213577 /nfs/dbraw/zinc/21/35/77/1066213577.db2.gz QDWGMDSEMFEVFN-CWTRNNRKSA-N 1 0 312.363 4.217 20 30 DIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](Cc1cccc(Cl)c1)CC(C)C ZINC001308770134 1066243077 /nfs/dbraw/zinc/24/30/77/1066243077.db2.gz NTBZNXXVKSGLNG-KURKYZTESA-N 1 0 307.865 4.230 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cc2c(cccc2O)s1)c1ccc(F)cc1 ZINC001308785570 1066260301 /nfs/dbraw/zinc/26/03/01/1066260301.db2.gz GEKYISVNELWBNJ-INIZCTEOSA-N 1 0 311.381 4.210 20 30 DIEDRO C#C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC001308795548 1066270544 /nfs/dbraw/zinc/27/05/44/1066270544.db2.gz VCBUYHDOWHSXAD-LBPRGKRZSA-N 1 0 315.200 4.039 20 30 DIEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001308786212 1066261837 /nfs/dbraw/zinc/26/18/37/1066261837.db2.gz KSVYQSUWJSVVCU-DJJJIMSYSA-N 1 0 317.354 4.389 20 30 DIEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001308786214 1066262026 /nfs/dbraw/zinc/26/20/26/1066262026.db2.gz KSVYQSUWJSVVCU-YJYMSZOUSA-N 1 0 317.354 4.389 20 30 DIEDRO C#C[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC001308787349 1066262168 /nfs/dbraw/zinc/26/21/68/1066262168.db2.gz RUFPNQUHBKRXGC-WHLIDYPQSA-N 1 0 301.311 4.081 20 30 DIEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC001308786074 1066262388 /nfs/dbraw/zinc/26/23/88/1066262388.db2.gz IADDAHMVAPPBSA-IEBWSBKVSA-N 1 0 300.490 4.089 20 30 DIEDRO CC(C)Cc1ccc([C@@H](C[NH2+]C[C@H](C)CCC#N)N(C)C)cc1 ZINC001308800188 1066275396 /nfs/dbraw/zinc/27/53/96/1066275396.db2.gz GJVYYZNOPGZKMR-YLJYHZDGSA-N 1 0 315.505 4.017 20 30 DIEDRO N#Cc1cc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)cs1 ZINC001308823486 1066299935 /nfs/dbraw/zinc/29/99/35/1066299935.db2.gz OPEXJXPHJYLNFC-OAHLLOKOSA-N 1 0 318.392 4.105 20 30 DIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001308826288 1066300841 /nfs/dbraw/zinc/30/08/41/1066300841.db2.gz UDGRSTDCYPWUDS-JTSKRJEESA-N 1 0 316.448 4.330 20 30 DIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc(F)cc1F ZINC001308829841 1066303183 /nfs/dbraw/zinc/30/31/83/1066303183.db2.gz NYUNAIFBMJFZNT-ZDUSSCGKSA-N 1 0 300.352 4.072 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001308830875 1066306491 /nfs/dbraw/zinc/30/64/91/1066306491.db2.gz WZRWWTPNZXQGEX-MSOLQXFVSA-N 1 0 316.489 4.246 20 30 DIEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001308831211 1066306621 /nfs/dbraw/zinc/30/66/21/1066306621.db2.gz DUVLYEUZOFJKLS-AWEZNQCLSA-N 1 0 324.390 4.007 20 30 DIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC001308853860 1066335149 /nfs/dbraw/zinc/33/51/49/1066335149.db2.gz ADSSYIHCUJPIJY-HNNXBMFYSA-N 1 0 313.420 4.014 20 30 DIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC001308860604 1066340115 /nfs/dbraw/zinc/34/01/15/1066340115.db2.gz SBXCXYFLJYDGPT-SFTDATJTSA-N 1 0 304.437 4.417 20 30 DIEDRO Cc1cc(Br)c(C[NH2+][C@@H](C)CC(C)(C)C#N)s1 ZINC001308869092 1066348611 /nfs/dbraw/zinc/34/86/11/1066348611.db2.gz HQQBODITMGWIOK-VIFPVBQESA-N 1 0 315.280 4.237 20 30 DIEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC001308901535 1066379274 /nfs/dbraw/zinc/37/92/74/1066379274.db2.gz ZCRMBILKDIGOAE-JKSUJKDBSA-N 1 0 315.379 4.463 20 30 DIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cc(F)cc(C#N)c2)CC1 ZINC001308902832 1066380740 /nfs/dbraw/zinc/38/07/40/1066380740.db2.gz TWRVNLGNGMFVIQ-KUHUBIRLSA-N 1 0 315.436 4.152 20 30 DIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC(c3ccc(C)c(C)c3)=NO2)C1 ZINC001308924003 1066401049 /nfs/dbraw/zinc/40/10/49/1066401049.db2.gz DIOZDOGUCWGOMB-BHIYHBOVSA-N 1 0 312.457 4.131 20 30 DIEDRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC001308938763 1066408315 /nfs/dbraw/zinc/40/83/15/1066408315.db2.gz PDEDUVSMTJVFGZ-CYBMUJFWSA-N 1 0 316.392 4.491 20 30 DIEDRO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001308958272 1066419630 /nfs/dbraw/zinc/41/96/30/1066419630.db2.gz FZOGGDNWSBETTH-POAQFYNOSA-N 1 0 312.457 4.148 20 30 DIEDRO CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001308958269 1066420261 /nfs/dbraw/zinc/42/02/61/1066420261.db2.gz FZOGGDNWSBETTH-IMFGXOCKSA-N 1 0 312.457 4.148 20 30 DIEDRO C#Cc1ccc(N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC001308974705 1066428253 /nfs/dbraw/zinc/42/82/53/1066428253.db2.gz SUAITTJSYCCQTM-UTKZUKDTSA-N 1 0 304.437 4.133 20 30 DIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](Cc1ccccc1)c1ccccn1 ZINC001308982216 1066431026 /nfs/dbraw/zinc/43/10/26/1066431026.db2.gz ARPAAYPUZKGRHR-HKUYNNGSSA-N 1 0 321.468 4.326 20 30 DIEDRO